# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-05T09:39:31+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2014 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1513210","9.4126","0.0014","14.233","0.002","37.401","0.005","90","","90","","90","","5010.6","1.2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C72 H114 N0 O73 -","- C72 H114 O73 -","- C144 H228 O146 -","2","0.5","","Ivanova, Bojidarka; Spiteller, Michael","Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates ‒ experimental and theoretical gas ‒ and condense phase study","International Journal of Biological Macromolecules","2014","64","","383","391","10.1016/j.ijbiomac.2013.12.026","","","0.71073","MoKα","","0.0898","0.0646","","","0.1564","0.1695","","","","","","1.12","","","","has coordinates","202445","2020-10-21","18:00:00",""
"1513211","15.1625","0.0012","10.255","0.0008","20.9687","0.0017","90","","110.479","0.003","90","","3054.4","0.4","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C43 H70 O39 -","- C43 H70 O39 -","- C86 H140 O78 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates ‒ experimental and theoretical gas ‒ and condense phase study","International Journal of Biological Macromolecules","2014","64","","383","391","10.1016/j.ijbiomac.2013.12.026","","","0.71073","MoKα","","0.1089","0.0957","","","0.26","0.279","","","","","","1.188","","","","has coordinates","202445","2020-10-21","18:00:00",""
"1513212","15.1417","0.0013","10.184","0.001","20.937","0.002","90","","110.926","0.003","90","","3015.6","0.5","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H70 N0 O40 -","- C43 H70 O40 -","- C86 H140 O80 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates ‒ experimental and theoretical gas ‒ and condense phase study","International Journal of Biological Macromolecules","2014","64","","383","391","10.1016/j.ijbiomac.2013.12.026","","","0.71073","MoKα","","0.0945","0.0852","","","0.2413","0.2555","","","","","","1.085","","","","has coordinates","202445","2020-10-21","18:00:00",""
"1513213","9.3497","0.0003","3.6631","0.0001","9.8901","0.0003","90","","90","","90","","338.725","0.018","","","298","","","","101.325","","","","","4","P n m a","-P 2ac 2n","62","Potassium Magnesium imide-amide","Potassium Magnesium imide-amide","","- D3 K Mg N2 -","- D3 K Mg N2 -","- D12 K4 Mg4 N8 -","4","0.5","","Napolitano, Emilio; Dolci, Francesco; Campesi, Renato; Pistidda, Claudio; Hoelzel, Markus; Moretto, Pietro; Enzo, Stefano","Corrigendum to Crystal structure solution of KMg(ND)(ND2): An ordered mixed amide/imide compound.","Int.J.Hydro.Eneg","2014","39","","8181","8183","10.1016/j.ijhydene.2014.03.073 http://dx.doi.org/10.1016/j.ijhydene.2013.10.131","powder diffraction","neutron","1.5482","","","0.0271449","","","0.0355103","","","","","0.0111398","","","","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1513341","8.0646","0.0004","8.9616","0.0004","16.2738","0.0008","90","","92.672","0.001","90","","1174.86","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H43 Cl2 Ir P2 -","- C18 H43 Cl2 Ir P2 -","- C36 H86 Cl4 Ir2 P4 -","2","0.5","","Garbacz, Piotr; Terskikh, Victor V.; Ferguson, Michael J.; Bernard, Guy M.; Kędziorek, Mariusz; Wasylishen, Roderick E.","Experimental Characterization of the Hydride (1)H Shielding Tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: Extremely Shielded Hydride Protons with Unusually Large Magnetic Shielding Anisotropies.","The journal of physical chemistry. A","2014","118","7","1203","1212","10.1021/jp411378j","","","0.71073","MoKα","","0.0152","0.0135","","","0.0318","0.0327","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513342","8.0734","0.0003","8.9633","0.0003","16.266","0.0005","90","","92.5754","0.0004","90","","1175.89","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H43 Cl2 P2 Rh -","- C18 H43 Cl2 P2 Rh -","- C36 H86 Cl4 P4 Rh2 -","2","0.5","","Garbacz, Piotr; Terskikh, Victor V.; Ferguson, Michael J.; Bernard, Guy M.; Kędziorek, Mariusz; Wasylishen, Roderick E.","Experimental Characterization of the Hydride (1)H Shielding Tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: Extremely Shielded Hydride Protons with Unusually Large Magnetic Shielding Anisotropies.","The journal of physical chemistry. A","2014","118","7","1203","1212","10.1021/jp411378j","","","0.71073","MoKα","","0.0186","0.0173","","","0.0442","0.0451","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513343","22.064","0.003","10.5914","0.0013","22.751","0.003","90","","118.669","0.002","90","","4664.9","1.1","93","2","93","2","","","","","","","","5","C 1 2 1","C 2y","5","","7,7,8,8,9,9-hexafluoro-3a,3a1,4-trimethyl-2,5-diphenyl- 3a,3a1,4,7,8,9-hexahydro-3-thia-4-azacyclopenta[a]acenaphthylene","","- C28 H21 F6 N S -","- C28 H21 F6 N S -","- C224 H168 F48 N8 S8 -","8","2","","Hirose, Takashi; Inoue, Yuki; Hasegawa, Jun-Ya; Higashiguchi, Kenji; Matsuda, Kenji","Investigation on CD Inversion at Visible Region Caused by a Tilt of the π-Conjugated Substituent: Theoretical and Experimental Approaches by Using an Asymmetric Framework of Diarylethene Annulated Isomer.","The journal of physical chemistry. A","2014","118","6","1084","1093","10.1021/jp4122694","","","0.71073","MoKα","","0.0968","0.0633","","","0.1354","0.1474","","","","","","1.163","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513344","9.4723","0.0005","13.8209","0.0007","14.2201","0.0007","116.052","0.0006","97.4525","0.0007","101.172","0.0007","1591.32","0.14","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H46 N2 O2 -","- C37 H46 N2 O2 -","- C74 H92 N4 O4 -","2","1","","Yamashita, Hiroaki; Abe, Jiro","Remarkable Solvatochromic Color Change via Proton Tautomerism of a Phenol-Linked Imidazole Derivative.","The journal of physical chemistry. A","2014","118","8","1430","1438","10.1021/jp5007928","","","0.71073","MoKα","","0.0548","0.043","","","0.1022","0.1106","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513345","9.5672","0.0017","13.359","0.002","15.03","0.003","93.77","0.002","105.796","0.003","90.872","0.003","1843.3","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H52 N2 O3 S -","- C39 H52 N2 O3 S -","- C78 H104 N4 O6 S2 -","2","1","","Yamashita, Hiroaki; Abe, Jiro","Remarkable Solvatochromic Color Change via Proton Tautomerism of a Phenol-Linked Imidazole Derivative.","The journal of physical chemistry. A","2014","118","8","1430","1438","10.1021/jp5007928","","","0.71073","MoKα","","0.1281","0.0571","","","0.1022","0.127","","","","","","0.941","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513350","15.1373","0.0002","19.6216","0.0003","18.5258","0.0003","90","","99.2166","0.0014","90","","5431.46","0.14","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H53.08 Cl10 Fe1.46 Li2 N4 O4 -","- C50 H53.0828 Cl10 Fe1.4586 Li2 N4 O4 -","- C200 H212.331 Cl40 Fe5.8344 Li8 N16 O16 -","4","0.5","","Allan, Laura E. N.; MacDonald, Jarret P.; Nichol, Gary S.; Shaver, Michael P.","Single Component Iron Catalysts for Atom Transfer and Organometallic Mediated Radical Polymerizations: Mechanistic Studies and Reaction Scope","Macromolecules","2014","47","4","1249","","10.1021/ma402381x","","","1.54184","CuKα","","0.0484","0.0453","","","0.1115","0.1138","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513351","13.7729","0.0004","23.7241","0.0013","21.6192","0.0006","90","","101.647","0.003","90","","6918.6","0.5","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61.2 H85.4 Cl10 Fe2 Li2 N4 O10.3 -","- C48 H60 Cl10 Fe2 Li2 N4 O7 -","- C192 H240 Cl40 Fe8 Li8 N16 O28 -","4","1","","Allan, Laura E. N.; MacDonald, Jarret P.; Nichol, Gary S.; Shaver, Michael P.","Single Component Iron Catalysts for Atom Transfer and Organometallic Mediated Radical Polymerizations: Mechanistic Studies and Reaction Scope","Macromolecules","2014","47","4","1249","","10.1021/ma402381x","","","1.54184","CuKα","","0.1164","0.0895","","","0.2464","0.2727","","","","","","1.05","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513352","17.8563","0.0018","6.4916","0.0008","8.8522","0.0012","90","","98.862","0.007","90","","1013.9","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","1","","Liu, Ye; Wang, Meng; Ren, Wei-Min; He, Ke-Ke; Xu, Yue-Chao; Liu, Jie; Lu, Xiao-Bing","Stereospecific CO2Copolymers from 3,5-Dioxaepoxides: Crystallization and Functionallization","Macromolecules","2014","47","4","1269","","10.1021/ma500112c","","","0.71073","MoKα","","0.0683","0.0582","","","0.155","0.1596","","","","","","1.182","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513353","15.9539","0.0006","15.9539","0.0006","14.7843","0.0005","90","","90","","120","","3258.9","0.2","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C12 H19 Br N2 O3 Zn -","- C12 H17 Br N2 O3 Zn -","- C72 H102 Br6 N12 O18 Zn6 -","6","1","","Kuang, Xuan; Ma, Yu; Su, Hao; Zhang, Jine; Dong, Yu-Bin; Tang, Bo","High-performance liquid chromatographic enantioseparation of racemic drugs based on homochiral metal-organic framework.","Analytical chemistry","2014","86","2","1277","1281","10.1021/ac403674p","","","0.71073","MoKα","","0.0841","0.0513","","","0.1124","0.1294","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513354","12.1371","0.0011","16.7863","0.0014","10.8176","0.0009","90","","96.76","0.002","90","","2188.6","0.3","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cl N8 O6 -","- C21 H21 Cl N8 O6 -","- C84 H84 Cl4 N32 O24 -","4","1","","Xu, Renbo; Xia, Rui; Luo, Ming; Xu, Xiaoyong; Cheng, Jiagao; Shao, Xusheng; Li, Zhong","Design, Synthesis, Crystal Structures, and Insecticidal Activities of Eight-Membered Azabridge Neonicotinoid Analogues.","Journal of agricultural and food chemistry","2014","62","2","381","","10.1021/jf4046683","","","0.71073","MoKα","","0.0469","0.0378","","","0.1077","0.1144","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513355","11.7016","0.0005","13.6677","0.0006","13.7418","0.0006","90","","108.591","0.001","90","","2083.1","0.16","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O5 -","- C22 H34 O5 -","- C88 H136 O20 -","4","2","","Li, Rui-Juan; Lin, Zhao-Min; Kang, Ya-Qi; Guo, Yan-Xia; Lv, Xin; Zhou, Jin-Chuan; Wang, Song; Lou, Hong-Xiang","Cembrane-Type Diterpenoids from the Chinese Liverworts Chandonanthus hirtellus and C. birmensis.","Journal of natural products","2014","77","2","339","345","10.1021/np400936t","","","1.54178","CuKα","","0.0485","0.0481","","","0.132","0.1327","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513356","5.6773","0.0002","13.9911","0.0005","13.0148","0.0005","90","","95.41","0.002","90","","1029.18","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H34 O5 -","- C22 H34 O5 -","- C44 H68 O10 -","2","1","","Li, Rui-Juan; Lin, Zhao-Min; Kang, Ya-Qi; Guo, Yan-Xia; Lv, Xin; Zhou, Jin-Chuan; Wang, Song; Lou, Hong-Xiang","Cembrane-Type Diterpenoids from the Chinese Liverworts Chandonanthus hirtellus and C. birmensis.","Journal of natural products","2014","77","2","339","345","10.1021/np400936t","","","1.54178","CuKα","","0.0472","0.0471","","","0.1185","0.1187","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513357","7.6925","0.0007","10.9091","0.0008","10.288","0.0008","90","","90.238","0.005","90","","863.34","0.12","132","2","132","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 Cl N2 O5 -","- C17 H17 Cl N2 O5 -","- C34 H34 Cl2 N4 O10 -","2","1","","Jansen, Rolf; Sood, Sakshi; Huch, Volker; Kunze, Brigitte; Stadler, Marc; Müller, Rolf","Pyrronazols, Metabolites from the Myxobacteria Nannocystis pusilla and N. exedens, Are Unusual Chlorinated Pyrone-Oxazole-Pyrroles.","Journal of natural products","2014","77","2","320","326","10.1021/np400877r","","","0.71073","MoKα","","0.0393","0.0346","","","0.0841","0.0875","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513358","10.7324","0.0005","23.7833","0.0014","28.8248","0.0012","90","","90","","90","","7357.6","0.6","98.9","","98.9","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32.5 H52.5 Cl7.5 O3 -","- C32.5 H52.5 Cl7.5 O3 -","- C260 H420 Cl60 O24 -","8","2","","Zhou, Jian; Li, Chuang-Jun; Yang, Jing-Zhi; Ma, Jie; Li, Yan; Bao, Xiu-Qi; Chen, Xiao-Guang; Zhang, Dan; Zhang, Dong-Ming","Lupane Triterpenoids from the Stems of Euonymus carnosus.","Journal of natural products","2014","77","2","276","284","10.1021/np400851k","","","1.5418","CuKα","","0.0796","0.0636","","","0.1512","0.1659","","","","","","1.021","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513359","11.2107","0.0006","11.5443","0.0006","12.1199","0.0007","90","","90","","90","","1568.55","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-deoxyleuconoxine","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.0478","0.0379","","","0.0921","0.0985","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513360","10.1848","0.0002","10.362","0.0002","10.3848","0.0002","71.742","0.001","67.38","0.001","60.647","0.001","871.11","0.03","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H48 N4 O9 -","- C19 H24 N2 O4.5 -","- C38 H48 N4 O9 -","2","2","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.0618","0.0562","","","0.1177","0.1185","","","","","","2.562","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513361","7.1721","0.0004","26.1619","0.0013","27.9882","0.0015","90","","90","","90","","5251.6","0.5","298","2","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Cl2 N2 O3 -","- C19 H22 N2 O3.33333 -","- C228 H264 N24 O40 -","12","3","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MOKα","","0.1478","0.1079","","","0.2836","0.313","","","","","","1.903","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513362","11.4602","0.0002","11.4602","0.0002","10.0616","0.0002","90","","90","","120","","1144.41","0.04","100","2","100.15","","","","","","","","","4","P 31","P 31","144","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C57 H66 N6 O6 -","3","1","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.1326","0.1315","","","0.3662","0.3669","","","","","","1.211","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513363","8.8855","0.0004","11.394","0.0005","14.8635","0.0007","90","","90","","90","","1504.8","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6,7-dehydroleuconoxine","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.0433","0.0374","","","0.0929","0.0965","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513364","8.1771","0.0001","10.8938","0.0002","19.8901","0.0003","90","","90","","90","","1771.8","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","leuconolam","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.0331","0.031","","","0.0862","0.0891","","","","","","0.625","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513365","9.6652","0.0005","16.1799","0.0009","21.1959","0.0011","90","","90","","90","","3314.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C152 H176 N16 O24 -","8","2","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MOKα","","0.0409","0.0356","","","0.0877","0.0905","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513366","8.0086","0.0001","14.9302","0.0003","15.3044","0.0003","90","","94.648","0.001","90","","1823.93","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H46 Cl2 N4 O6 -","- C39 H46 Cl2 N4 O6 -","- C78 H92 Cl4 N8 O12 -","2","1","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.0724","0.046","","","0.0998","0.1134","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513367","6.8307","0.0005","14.3712","0.0011","15.256","0.0011","90","","90","","90","","1497.61","0.19","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O8 -","- C15 H24 O8 -","- C60 H96 O32 -","4","1","","Fruhmann, Philipp; Mikula, Hannes; Wiesenberger, Gerlinde; Varga, Elisabeth; Lumpi, Daniel; Stöger, Berthold; Häubl, Georg; Lemmens, Marc; Berthiller, Franz; Krska, Rudolf; Adam, Gerhard; Hametner, Christian; Fröhlich, Johannes","Isolation and structure elucidation of pentahydroxyscirpene, a trichothecene fusarium mycotoxin.","Journal of natural products","2014","77","1","188","192","10.1021/np4008365","","x-ray","0.71073","MoKα","","0.0405","0.0362","","","0.0472","0.0476","","","","2.83","2.83","2.73","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513368","29.934","0.007","7.8815","0.0016","8.732","0.003","90","","98.3","0.03","90","","2038.5","1","104.3","","104.3","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H31.5 N O4.5 -","- C23 H32 N O4.5 -","- C92 H128 N4 O18 -","4","1","","Li, Yong; Wu, Chongming; Liu, Dong; Proksch, Peter; Guo, Peng; Lin, Wenhan","Chartarlactams A-P, Phenylspirodrimanes from the Sponge-Associated Fungus Stachybotrys chartarum with Antihyperlipidemic Activities.","Journal of natural products","2014","77","1","138","147","10.1021/np400824u","","","1.5418","CuKα","","0.1754","0.1407","","","0.3467","0.377","","","","","","1.754","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513369","29.5456","0.0011","7.8704","0.0003","8.8858","0.0003","90","","96.335","0.004","90","","2053.65","0.13","103.5","","103.5","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H30 N O5.5 -","- C23 H30 N O5.5 -","- C92 H120 N4 O22 -","4","1","","Li, Yong; Wu, Chongming; Liu, Dong; Proksch, Peter; Guo, Peng; Lin, Wenhan","Chartarlactams A-P, Phenylspirodrimanes from the Sponge-Associated Fungus Stachybotrys chartarum with Antihyperlipidemic Activities.","Journal of natural products","2014","77","1","138","147","10.1021/np400824u","","","1.5418","CuKα","","0.04","0.038","","","0.0985","0.1006","","","","","","1.036","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513370","10.5137","0.0004","13.1195","0.0005","15.3947","0.0006","90","","92.885","0.003","90","","2120.77","0.14","131.6","","131.6","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H32 N O5.5 -","- C23 H32 N O5.5 -","- C92 H128 N4 O22 -","4","2","","Li, Yong; Wu, Chongming; Liu, Dong; Proksch, Peter; Guo, Peng; Lin, Wenhan","Chartarlactams A-P, Phenylspirodrimanes from the Sponge-Associated Fungus Stachybotrys chartarum with Antihyperlipidemic Activities.","Journal of natural products","2014","77","1","138","147","10.1021/np400824u","","","1.5418","CuKα","","0.0412","0.0391","","","0.1011","0.1036","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513371","9.9972","0.0008","7.3788","0.0003","15.5846","0.001","90","","103.612","0.007","90","","1117.34","0.13","102.7","","102.7","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H16 O5 -","- C11 H16 O5 -","- C44 H64 O20 -","4","2","","Chen, Shenxi; Ren, Fengxia; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","Dioxatricyclic and Oxabicyclic Polyketides from Trichocladium opacum.","Journal of natural products","2014","77","1","9","14","10.1021/np4004799","","","1.5418","CuKα","","0.0331","0.0329","","","0.0864","0.0866","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513372","9.9909","0.0003","7.57278","0.00019","13.7572","0.0004","90","","90.46","0.003","90","","1040.82","0.05","101.5","","101.5","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","2","","Chen, Shenxi; Ren, Fengxia; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","Dioxatricyclic and Oxabicyclic Polyketides from Trichocladium opacum.","Journal of natural products","2014","77","1","9","14","10.1021/np4004799","","","1.5418","CuKα","","0.0435","0.0434","","","0.1137","0.1138","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513373","6.6087","0.0005","6.6339","0.0004","27.605","0.002","90","","90","","90","","1210.24","0.15","103.1","","103.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 O6 -","- C11 H18 O6 -","- C44 H72 O24 -","4","1","","Chen, Shenxi; Ren, Fengxia; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","Dioxatricyclic and Oxabicyclic Polyketides from Trichocladium opacum.","Journal of natural products","2014","77","1","9","14","10.1021/np4004799","","","0.7107","MoKα","","0.1718","0.1693","","","0.4022","0.4033","","","","","","0.35","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513374","10.4726","0.006","11.2226","0.0026","11.4289","0.0021","60.65","0.017","89.832","0.034","67.745","0.036","1055.4","0.8","298","2","298","2","","","","","","","synthesis as described","3","P 1","P 1","1","","","","- C23 H24 O8 -","- C23 H24 O8 -","- C46 H48 O16 -","2","2","","Andrioli, Willian J.; Conti, Raphael; Araújo, Magali J; Zanasi, Riccardo; Cavalcanti, Bruno C.; Manfrim, Viviane; Toledo, Juliano S.; Tedesco, Daniele; de Moraes, Manoel O.; Pessoa, Cláudia; Cruz, Angela K.; Bertucci, Carlo; Sabino, José; Nanayakkara, Dhammika N. P.; Pupo, Mônica T; Bastos, Jairo K.","Mycoleptones A-C and Polyketides from the Endophyte Mycoleptodiscus indicus.","Journal of natural products","2014","77","1","70","78","10.1021/np4006822","","x-ray","1.54184","CuKα","","0.114","0.0913","","","0.2989","0.322","","","","","","1.416","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513375","8.1278","0.0002","6.9825","0.0002","16.1268","0.0004","90","","92.741","0.002","90","","914.19","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C40 H60 O6 -","2","1","","Chao, Chih-Hua; Cheng, Ju-Chien; Shen, De-Yang; Wu, Tian-Shung","Anti-Hepatitis C Virus Dinorditerpenes from the Roots of Flueggea virosa.","Journal of natural products","2014","77","1","22","28","10.1021/np400528h","","x-ray","1.54178","CuKα","","0.0371","0.0366","","","0.103","0.1036","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513376","6.5873","0.0004","15.1475","0.001","18.706","0.0006","80.57","0.004","87.305","0.004","88.026","0.005","1838.57","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Br N2 O3 -","- C19 H21 Br N2 O3 -","- C76 H84 Br4 N8 O12 -","4","2","","Nardele, Chinmay G.; Asha, S. K.","Photoresponsive smectic liquid crystalline multipods and hyperbranched azo polymers.","The journal of physical chemistry. B","2014","118","6","1670","1684","10.1021/jp410589h","","","0.71073","MoKα","","0.1141","0.0556","","","0.066","0.0783","","","","","","1.18","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513377","14.766","0.0017","14.766","0.0017","17.858","0.004","90","","90","","120","","3372","0.9","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C168 H120 O24 -","6","0.5","","Surov, Oleg V.; Voronova, Marina I.; Barannikov, Vladimir P.; Shaposhnikov, Gennady P.","Structural Features and Thermal Stability of 25,26,27,28-Tetrahydroxycalix[4]arene Molecular Complexes with Solvents","The Journal of Physical Chemistry C","2014","118","1","338","","10.1021/jp409003f","","","0.71073","MoKα","","0.0789","0.0569","","","0.1553","0.1637","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513378","11.1947","0.0006","5.6858","0.0003","23.9486","0.0016","90","","101.642","0.006","90","","1492.99","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N2 O6 S4 -","- C32 H28 N2 O6 S4 -","- C64 H56 N4 O12 S8 -","2","0.5","","Salammal, Shabi Thankaraj; Balandier, Jean-Yves; Arlin, Jean-Baptiste; Olivier, Yoann; Lemaur, Vincent; Wang, Linjun; Beljonne, David; Cornil, Jérôme; Kennedy, Alan Robert; Geerts, Yves Henri; Chattopadhyay, Basab","Polymorphism in Bulk and Thin Films: The Curious Case of Dithiophene-DPP(Boc)-Dithiophene","The Journal of Physical Chemistry C","2014","118","1","657","","10.1021/jp410824u","","","0.71073","MoKα","","0.1186","0.0592","","","0.0831","0.1001","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513379","34.5079","0.0008","19.159","0.0004","23.9838","0.0005","90","","128.019","0.001","90","","12491.9","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H34 Cl N6 O29 Tb4 -","- C43 H34 Cl N6 O29 Tb4 -","- C344 H272 Cl8 N48 O232 Tb32 -","8","1","","Zhou, Jing-Min; Shi, Wei; Li, Hui-Min; Li, Han; Cheng, Peng","Experimental Studies and Mechanism Analysis of High-Sensitivity Luminescent Sensing of Pollutional Small Molecules and Ions in Ln4O4Cluster Based Microporous Metal‒Organic Frameworks","The Journal of Physical Chemistry C","2014","118","1","416","","10.1021/jp4097502","","","0.71073","MoKα","","0.0385","0.0315","","","0.0741","0.0792","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513380","34.5583","0.0008","19.0573","0.0003","23.688","0.0004","90","","128.188","0.001","90","","12261.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H34 Cl Gd4 N6 O29 -","- C43 H34 Cl Gd4 N6 O29 -","- C344 H272 Cl8 Gd32 N48 O232 -","8","1","","Zhou, Jing-Min; Shi, Wei; Li, Hui-Min; Li, Han; Cheng, Peng","Experimental Studies and Mechanism Analysis of High-Sensitivity Luminescent Sensing of Pollutional Small Molecules and Ions in Ln4O4Cluster Based Microporous Metal‒Organic Frameworks","The Journal of Physical Chemistry C","2014","118","1","416","","10.1021/jp4097502","","","0.71073","MoKα","","0.0371","0.0324","","","0.0753","0.0781","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513381","9.8789","0.0008","12.107","0.0007","23.0938","0.0006","104.855","0.003","98.818","0.003","90.34","0.006","2635.3","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 N O -","- C18 H13 N O -","- C144 H104 N8 O8 -","8","4","","Husmann, Ralph; Wertz, Sebastian; Daniliuc, Constantin G.; Schäfer, Sascha W.; McArdle, Ciarán B.; Studer, Armido","UV‒Vis Monitoring of Radical Polymerizations by Spin Trapping with Chromophoric Nitrones","Macromolecules","2014","47","3","993","","10.1021/ma4025174","","","1.54178","CuKα","","0.0624","0.0514","","","0.1335","0.1422","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513382","10.065","0.002","15.889","0.003","15.467","0.003","90","","106.885","0.003","90","","2366.9","0.8","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 B N2 -","- C29 H31 B N2 -","- C116 H124 B4 N8 -","4","1","","Ko, Soo-Byung; Lu, Jia-Sheng; Wang, Suning","Chelation-assisted photoelimination of b,n-heterocycles.","Organic letters","2014","16","2","616","619","10.1021/ol403550b","","","0.71073","MoKα","","0.1293","0.0578","","","0.1276","0.1577","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513383","36.782","0.007","36.782","0.007","14.26","0.003","90","","90","","120","","16708","6","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C40 H49 B N2 O2 Pt -","- C40 H49 B N2 O2 Pt -","- C720 H882 B18 N36 O36 Pt18 -","18","1","","Ko, Soo-Byung; Lu, Jia-Sheng; Wang, Suning","Chelation-assisted photoelimination of b,n-heterocycles.","Organic letters","2014","16","2","616","619","10.1021/ol403550b","","","0.71073","MoKα","","0.1645","0.0673","","","0.1183","0.1471","","","","","","0.852","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513384","12.2122","0.0014","9.7378","0.0012","11.5756","0.0014","90","","90.414","0.002","90","","1376.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","","Sun, Wen-Wu; Cao, Pei; Mei, Ren-Qiang; Li, Yue; Ma, Yuan-Liang; Wu, Bin","Palladium-Catalyzed Unactivated C(sp(3))-H Bond Activation and Intramolecular Amination of Carboxamides: A New Approach to β-Lactams.","Organic letters","2014","16","2","480","483","10.1021/ol403364k","","","0.71073","MoKα","","0.0487","0.0429","","","0.1185","0.1239","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513385","13.6518","0.0017","9.812","0.0012","12.3174","0.0015","90","","112.549","0.002","90","","1523.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Sun, Wen-Wu; Cao, Pei; Mei, Ren-Qiang; Li, Yue; Ma, Yuan-Liang; Wu, Bin","Palladium-Catalyzed Unactivated C(sp(3))-H Bond Activation and Intramolecular Amination of Carboxamides: A New Approach to β-Lactams.","Organic letters","2014","16","2","480","483","10.1021/ol403364k","","","0.71073","MoKα","","0.0545","0.0429","","","0.1075","0.1158","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513386","7.8685","0.0007","16.8026","0.0014","10.9944","0.0009","90","","106.843","0.001","90","","1391.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F N2 O -","- C18 H13 F N2 O -","- C72 H52 F4 N8 O4 -","4","1","","Sun, Wen-Wu; Cao, Pei; Mei, Ren-Qiang; Li, Yue; Ma, Yuan-Liang; Wu, Bin","Palladium-Catalyzed Unactivated C(sp(3))-H Bond Activation and Intramolecular Amination of Carboxamides: A New Approach to β-Lactams.","Organic letters","2014","16","2","480","483","10.1021/ol403364k","","","0.71073","MoKα","","0.0724","0.0598","","","0.1732","0.1859","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513387","23.5047","0.0017","13.3187","0.0003","13.1615","0.0003","90","","90","","90","","4120.2","0.3","299","2","299","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C168 H272 O40 -","8","1","","He, Shuzhong; Yang, Wei; Zhu, Lizhi; Du, Guangyan; Lee, Chi-Sing","Bioinspired Total Synthesis of (±)-Yezo'otogirin C.","Organic letters","2014","16","2","496","499","10.1021/ol403374h","","","1.54178","CuKα","","0.1259","0.0872","","","0.163","0.1798","","","","","","1.349","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513388","22.853","0.003","3.9578","0.0005","16.3958","0.0019","90","","105.654","0.004","90","","1428","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 S -","- C22 H12 S -","- C88 H48 S4 -","4","1","","Zhang, Shiqian; Qiao, Xiaolan; Chen, Ying; Wang, Yuanyuan; Edkins, Robert M.; Liu, Zhiqiang; Li, Hongxiang; Fang, Qi","Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene-Thienoacenes.","Organic letters","2014","16","2","342","345","10.1021/ol402971n","","","0.71073","MoKα","","0.0846","0.053","","","0.1559","0.1817","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513389","12.7799","0.0003","12.0694","0.0003","10.7199","0.0003","90","","95.423","0.002","90","","1646.1","0.07","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 S -","- C23 H16 S -","- C92 H64 S4 -","4","1","","Zhang, Shiqian; Qiao, Xiaolan; Chen, Ying; Wang, Yuanyuan; Edkins, Robert M.; Liu, Zhiqiang; Li, Hongxiang; Fang, Qi","Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene-Thienoacenes.","Organic letters","2014","16","2","342","345","10.1021/ol402971n","","","0.71073","MoKα","","0.0904","0.0514","","","0.1295","0.1549","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513390","4.3991","0.0003","15.0875","0.0012","21.4552","0.0015","90","","90","","90","","1424.01","0.18","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H12 S -","- C22 H12 S -","- C88 H48 S4 -","4","1","","Zhang, Shiqian; Qiao, Xiaolan; Chen, Ying; Wang, Yuanyuan; Edkins, Robert M.; Liu, Zhiqiang; Li, Hongxiang; Fang, Qi","Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene-Thienoacenes.","Organic letters","2014","16","2","342","345","10.1021/ol402971n","","","0.71073","MoKα","","0.0907","0.0562","","","0.1227","0.1394","","","","","","1.301","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513391","10.9159","0.0002","13.4792","0.0002","11.7522","0.0002","90","","105.154","0.001","90","","1669.06","0.05","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 S -","- C23 H16 S -","- C92 H64 S4 -","4","1","","Zhang, Shiqian; Qiao, Xiaolan; Chen, Ying; Wang, Yuanyuan; Edkins, Robert M.; Liu, Zhiqiang; Li, Hongxiang; Fang, Qi","Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene-Thienoacenes.","Organic letters","2014","16","2","342","345","10.1021/ol402971n","","","0.71073","MoKα","","0.0613","0.0401","","","0.1281","0.1477","","","","","","0.988","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513393","10.5239","0.0003","15.5809","0.0004","10.0994","0.0003","90","","98.234","0.002","90","","1638.95","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 S -","- C23 H16 S -","- C92 H64 S4 -","4","1","","Zhang, Shiqian; Qiao, Xiaolan; Chen, Ying; Wang, Yuanyuan; Edkins, Robert M.; Liu, Zhiqiang; Li, Hongxiang; Fang, Qi","Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene-Thienoacenes.","Organic letters","2014","16","2","342","345","10.1021/ol402971n","","","0.71073","MoKα","","0.0975","0.049","","","0.122","0.1435","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513394","7.4523","0.0008","5.5812","0.0005","10.725","0.001","90","","104.486","0.005","90","","431.9","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C16 H24 O8 -","2","1","","Alcoberro, Sandra; Gómez-Palomino, Alejandro; Solà, Ricard; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","Stereoselective titanium-mediated aldol reactions of a chiral lactate-derived ethyl ketone with ketones.","Organic letters","2014","16","2","584","587","10.1021/ol403461b","","","0.71073","MoKα","","0.0982","0.0542","","","0.1115","0.1284","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513395","10.015","0.002","17.961","0.004","8.0294","0.0016","90","","114.14","0.03","90","","1318","0.6","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C26 H16 Cu2 F6 N4 Se2 -","- C26 H16 Cu2 F6 N4 Se2 -","- C52 H32 Cu4 F12 N8 Se4 -","2","0.25","","Chen, Chaohuang; Hou, Chuanqi; Wang, Yuguang; Hor, T. S. Andy; Weng, Zhiqiang","Copper-catalyzed trifluoromethylselenolation of aryl and alkyl halides: the silver effect in transmetalation.","Organic letters","2014","16","2","524","527","10.1021/ol403406y","","","0.71073","MoKα","","0.1278","0.0837","","","0.2245","0.3221","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513396","12.7431","0.0004","11.7643","0.0004","12.0525","0.0004","90","","90.799","0.001","90","","1806.66","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O9 -","- C21 H24 O9 -","- C84 H96 O36 -","4","1","","Geng, Chang-An; Chen, Xing-Long; Zhou, Ning-Jia; Chen, Hao; Ma, Yun-Bao; Huang, Xiao-Yan; Zhang, Xue-Mei; Chen, Ji-Jun","LC-MS Guided Isolation of (±)-Sweriledugenin A, a Pair of Enantiomeric Lactones, from Swertia leducii.","Organic letters","2014","16","2","370","373","10.1021/ol403198d","","","1.54178","CuKα","","0.1056","0.1048","","","0.2894","0.2912","","","","","","1.445","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513397","9.2966","0.0005","12.0684","0.0007","27.4671","0.0016","90","","90","","90","","3081.7","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H55 N5 -","- C35 H55 N5 -","- C140 H220 N20 -","4","1","","Cao, Ming-Ming; Huang, Sheng-Dian; Di, Ying-Tong; Yuan, Chun-Mao; Zuo, Guo-Ying; Gu, Yu-Cheng; Zhang, Yu; Hao, Xiao-Jiang","Myrifabine, the First Dimeric Myrioneuron Alkaloid from Myrioneuron faberi.","Organic letters","2014","16","2","528","531","10.1021/ol403408m","","","1.54178","CuKα","","0.0434","0.042","","","0.1127","0.1138","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513398","5.5837","0.0013","9.0762","0.0017","31.477","0.007","90","","90","","90","","1595.2","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3a","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Zhou, Bing; Du, Juanjuan; Yang, Yaxi; Feng, Huijin; Li, Yuanchao","Rh(III)-Catalyzed C-H Amidation with N-Hydroxycarbamates: A New Entry to N-Carbamate-Protected Arylamines.","Organic letters","2014","16","2","592","595","10.1021/ol403477w","","","0.71073","MoKα","","0.1354","0.0563","","","0.0929","0.1173","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513399","7.3072","0.001","7.3072","0.001","25.958","0.005","90","","90","","90","","1386","0.4","173","2","173","2","","","","","","","","4","P 41","P 4w","76","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C64 H60 Br4 O8 -","4","1","","Han, Fu-Zhong; Zhu, Fu-Lin; Wang, Ya-Hui; Zou, Yuan; Hu, Xin-Hu; Chen, Song; Hu, Xiang-Ping","Highly enantioselective copper-catalyzed propargylic substitution of propargylic acetates with 1,3-dicarbonyl compounds.","Organic letters","2014","16","2","588","591","10.1021/ol403469m","","","0.71073","MoKα","","0.0306","0.0295","","","0.0697","0.0706","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513400","8.676","0.003","9.259","0.004","10.498","0.004","89.26","0.03","76.85","0.04","66.87","0.04","752.4","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C36 H48 O6 -","2","1","","Carrillo, Romen; Martín, Tomás; López-Rodríguez, Matías; Pinacho Crisóstomo, Fernando","Expedient Synthesis of C3-Symmetric Hexasubstituted Benzenes via Nicholas Reaction/[2 + 2 + 2] Cycloaddition. New Platforms for Molecular Recognition.","Organic letters","2014","16","2","552","555","10.1021/ol403428p","","","1.5418","CuKα","","0.0424","0.0404","","","0.1144","0.1162","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513401","41.2339","0.0011","13.6303","0.0004","15.0005","0.0004","90","","90","","90","","8430.7","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C81 H108 F15 N15 O9 -","- C81 H108 F15 N15 O9 -","- C324 H432 F60 N60 O36 -","4","1","","Pramanik, Avijit; Emami Khansari, Maryam; Powell, Douglas R.; Fronczek, Frank R.; Hossain, Md Alamgir","Absorption of Atmospheric CO2 as Carbonate Inside the Molecular Cavity of a New Tripodal Hexaurea Receptor.","Organic letters","2014","16","2","366","369","10.1021/ol403186k","","","0.71073","MoKα","","0.042","0.036","","","0.0836","0.0874","","","","","","1.003","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1513402","41.238","0.002","13.6194","0.0008","14.9845","0.0008","90","","90","","90","","8415.8","0.8","100","0.5","100","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C81 H108 F15 N15 O9 -","- C81 H108 F15 N15 O9 -","- C324 H432 F60 N60 O36 -","4","1","","Pramanik, Avijit; Emami Khansari, Maryam; Powell, Douglas R.; Fronczek, Frank R.; Hossain, Md Alamgir","Absorption of Atmospheric CO2 as Carbonate Inside the Molecular Cavity of a New Tripodal Hexaurea Receptor.","Organic letters","2014","16","2","366","369","10.1021/ol403186k","","","0.71073","MoKα","","0.0434","0.0351","","","0.0763","0.0802","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513403","13.262","0.004","9.481","0.003","14.406","0.005","90","","100.905","0.005","90","","1778.7","1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Zhao, Mi-Na; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui","Pd-catalyzed oxidative coupling of enamides and alkynes for synthesis of substituted pyrroles.","Organic letters","2014","16","2","608","611","10.1021/ol403517p","","","0.71073","MoKα","","0.0709","0.0558","","","0.1101","0.1177","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513404","19.819","0.007","5.93","0.002","26.889","0.01","90","","102.577","0.014","90","","3084.3","1.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","1","","Zhao, Mi-Na; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui","Pd-catalyzed oxidative coupling of enamides and alkynes for synthesis of substituted pyrroles.","Organic letters","2014","16","2","608","611","10.1021/ol403517p","","","0.71073","MoKα","","0.2207","0.0854","","","0.1752","0.2302","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513405","19.461","0.003","8.7866","0.0012","11.3296","0.0016","90","","106.997","0.002","90","","1852.7","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C5 H3 N11 O2 -","- C5 H3 N11 O2 -","- C40 H24 N88 O16 -","8","2","","Palysaeva, Nadezhda V.; Kumpan, Katerina P.; Struchkova, Marina I.; Dalinger, Igor L.; Kormanov, Aleksandr V.; Aleksandrova, Nataly S.; Chernyshev, Victor M.; Pyreu, Dmitrii F.; Suponitsky, Kyrill Yu; Sheremetev, Aleksei B.","A Direct Approach to a 6-Hetarylamino[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine Library.","Organic letters","2014","16","2","406","409","10.1021/ol403308h","","","0.71073","MoKα","","0.0697","0.0522","","","0.1041","0.1101","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513406","5.1476","0.001","24.198","0.005","9.0518","0.0017","90","","90.242","0.004","90","","1127.5","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H5 N12 O2.5 -","- C7 H5 N12 O2.5 -","- C28 H20 N48 O10 -","4","2","","Palysaeva, Nadezhda V.; Kumpan, Katerina P.; Struchkova, Marina I.; Dalinger, Igor L.; Kormanov, Aleksandr V.; Aleksandrova, Nataly S.; Chernyshev, Victor M.; Pyreu, Dmitrii F.; Suponitsky, Kyrill Yu; Sheremetev, Aleksei B.","A Direct Approach to a 6-Hetarylamino[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine Library.","Organic letters","2014","16","2","406","409","10.1021/ol403308h","","","0.71073","MoKα","","0.0731","0.0401","","","0.0712","0.0816","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513407","8.1516","0.0014","7.1045","0.0012","19.453","0.003","90","","95.924","0.004","90","","1120.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 N10 O4 -","- C5 H10 N10 O4 -","- C20 H40 N40 O16 -","4","1","","Palysaeva, Nadezhda V.; Kumpan, Katerina P.; Struchkova, Marina I.; Dalinger, Igor L.; Kormanov, Aleksandr V.; Aleksandrova, Nataly S.; Chernyshev, Victor M.; Pyreu, Dmitrii F.; Suponitsky, Kyrill Yu; Sheremetev, Aleksei B.","A Direct Approach to a 6-Hetarylamino[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine Library.","Organic letters","2014","16","2","406","409","10.1021/ol403308h","","","0.71073","MoKα","","0.1318","0.0522","","","0.0847","0.1077","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513408","7.1664","0.0004","8.7753","0.0005","20.0906","0.0012","90","","96.993","0.001","90","","1254.05","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 F3 N13 O2 -","- C7 H4 F3 N13 O2 -","- C28 H16 F12 N52 O8 -","4","1","","Palysaeva, Nadezhda V.; Kumpan, Katerina P.; Struchkova, Marina I.; Dalinger, Igor L.; Kormanov, Aleksandr V.; Aleksandrova, Nataly S.; Chernyshev, Victor M.; Pyreu, Dmitrii F.; Suponitsky, Kyrill Yu; Sheremetev, Aleksei B.","A Direct Approach to a 6-Hetarylamino[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine Library.","Organic letters","2014","16","2","406","409","10.1021/ol403308h","","","0.71073","MoKα","","0.0664","0.039","","","0.0836","0.0943","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513409","7.4468","0.0005","8.4992","0.0006","12.6276","0.0009","92.205","0.001","97.416","0.001","108.669","0.001","748.13","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H13 N13 O5 -","- C7 H13 N13 O5 -","- C14 H26 N26 O10 -","2","1","","Palysaeva, Nadezhda V.; Kumpan, Katerina P.; Struchkova, Marina I.; Dalinger, Igor L.; Kormanov, Aleksandr V.; Aleksandrova, Nataly S.; Chernyshev, Victor M.; Pyreu, Dmitrii F.; Suponitsky, Kyrill Yu; Sheremetev, Aleksei B.","A Direct Approach to a 6-Hetarylamino[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine Library.","Organic letters","2014","16","2","406","409","10.1021/ol403308h","","","0.71073","MoKα","","0.0512","0.0398","","","0.0949","0.1038","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513410","7.507","0.003","27.831","0.005","7.592","0.003","90","","97.477","0.005","90","","1572.7","0.9","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","8-methyl-5-phenyl-5H-dibenzo[c,e]azepine","","- C21 H17 N -","- C21 H17 N -","- C84 H68 N4 -","4","1","","Narbonne, Vanessa; Retailleau, Pascal; Maestri, Giovanni; Malacria, Max","Diastereoselective Synthesis of Dibenzoazepines through Chelation on Palladium(IV) Intermediates.","Organic letters","2014","16","2","628","631","10.1021/ol403525c","","","0.7107","MoKα","","0.0712","0.0661","","","0.1684","0.1759","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513411","8.592","0.003","12.624","0.005","17.8","0.007","90","","90.542","0.007","90","","1930.6","1.3","293","2","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C96 H72 N16 O8 -","4","1","","Hussain, Mohd Kamil; Ansari, Mohd Imran; Kant, Ruchir; Hajela, Kanchan","Tandem C-2 Functionalization-Intramolecular Azide-Alkyne 1,3-Dipolar Cycloaddition Reaction: A Convenient Route to Highly Diversified 9H-Benzo[b]pyrrolo[1,2-g][1,2,3]triazolo[1,5-d][1,4]diazepines.","Organic letters","2014","16","2","560","563","10.1021/ol403420z","","","0.71075","MoKα","","0.089","0.0592","","","0.1626","0.1897","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513412","8.6705","0.0017","10.194","0.002","10.926","0.002","110.2","0.03","92.26","0.03","106.1","0.03","860.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 Cl N2 -","- C22 H15 Cl N2 -","- C44 H30 Cl2 N4 -","2","1","","Wang, Xu; Li, Shen-Yan; Pan, Ying-Ming; Wang, Heng-Shan; Liang, Hong; Chen, Zhen-Feng; Qin, Xiao-Huan","Samarium(III)-Catalyzed C(sp(3))-H Bond Activation: Synthesis of Indolizines via C-C and C-N Coupling between 2-Alkylazaarenes and Propargylic Alcohols.","Organic letters","2014","16","2","580","583","10.1021/ol4034513","","","0.71073","MoKα","","0.0455","0.0396","","","0.1287","0.1372","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513413","7.799","0.004","10.222","0.005","20.921","0.01","90","","90","","90","","1667.9","1.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O3 -","- C17 H16 Cl N O3 -","- C68 H64 Cl4 N4 O12 -","4","1","","Liu, Le; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","PhICl2 and Wet DMF: An Efficient System for Regioselective Chloroformyloxylation/α-Chlorination of Alkenes/α,β-Unsaturated Compounds.","Organic letters","2014","16","2","436","439","10.1021/ol403321n","","","0.71073","MoKα","","0.0491","0.0424","","","0.1175","0.1253","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513414","12.049","0.002","5.323","0.0011","13.632","0.003","90","","114.5","0.03","90","","795.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 Cl O4 -","- C17 H16 Cl O4 -","- C34 H32 Cl2 O8 -","2","1","","Liu, Le; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","PhICl2 and Wet DMF: An Efficient System for Regioselective Chloroformyloxylation/α-Chlorination of Alkenes/α,β-Unsaturated Compounds.","Organic letters","2014","16","2","436","439","10.1021/ol403321n","","","0.71073","MoKα","","0.0799","0.0489","","","0.0949","0.119","","","","","","1.007","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513415","19.219","0.0018","8.9835","0.0008","18.1799","0.0016","90","","95.093","0.001","90","","3126.4","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C152 H160 O40 -","8","1","","Liang, Wen-Juan; Geng, Chang-An; Zhang, Xue-Mei; Chen, Hao; Yang, Cai-Yan; Rong, Guang-Qing; Zhao, Yong; Xu, Hong-Bo; Wang, Hao; Zhou, Ning-Jia; Ma, Yun-Bao; Huang, Xiao-Yan; Chen, Ji-Jun","(±)-Paeoveitol, a Pair of New Norditerpene Enantiomers from Paeonia veitchii.","Organic letters","2014","16","2","424","427","10.1021/ol403315d","","","0.71073","MoKα","","0.0637","0.0456","","","0.1121","0.1229","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513416","18.304","0.004","9.949","0.002","18.495","0.004","90","","108.29","0.03","90","","3197.9","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H22 Cl6 N4 O4 -","- C35 H22 Cl6 N4 O4 -","- C140 H88 Cl24 N16 O16 -","4","1","","Gao, Jing; Xiao, Chengyi; Jiang, Wei; Wang, Zhaohui","Cyano-Substituted Perylene Diimides with Linearly Correlated LUMO Levels.","Organic letters","2014","16","2","394","397","10.1021/ol403250r","","","0.71073","MoKα","","0.0913","0.0725","","","0.2354","0.2748","","","","","","1.165","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513417","19.123","0.004","14.721","0.003","12.535","0.003","90","","129.2","0.03","90","","2734.6","1.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Cl4 N2 O4 -","- C32 H22 Cl4 N2 O4 -","- C128 H88 Cl16 N8 O16 -","4","0.5","","Gao, Jing; Xiao, Chengyi; Jiang, Wei; Wang, Zhaohui","Cyano-Substituted Perylene Diimides with Linearly Correlated LUMO Levels.","Organic letters","2014","16","2","394","397","10.1021/ol403250r","","","0.71073","MoKα","","0.061","0.0534","","","0.1104","0.1141","","","","","","1.165","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513418","10.727","0.002","10.905","0.002","26.433","0.005","90","","90","","90","","3092.1","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H18 Cl4 N6 O4 -","- C36 H18 Cl4 N6 O4 -","- C144 H72 Cl16 N24 O16 -","4","1","","Gao, Jing; Xiao, Chengyi; Jiang, Wei; Wang, Zhaohui","Cyano-Substituted Perylene Diimides with Linearly Correlated LUMO Levels.","Organic letters","2014","16","2","394","397","10.1021/ol403250r","","","0.71073","MoKα","","0.0838","0.0803","","","0.1854","0.1886","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513419","9.0233","0.0018","10.762","0.002","15.855","0.003","72.77","0.03","81.25","0.03","83.83","0.03","1450.3","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H21 Cl4 N3 O4 -","- C33 H21 Cl4 N3 O4 -","- C66 H42 Cl8 N6 O8 -","2","1","","Gao, Jing; Xiao, Chengyi; Jiang, Wei; Wang, Zhaohui","Cyano-Substituted Perylene Diimides with Linearly Correlated LUMO Levels.","Organic letters","2014","16","2","394","397","10.1021/ol403250r","","","0.71073","MoKα","","0.2113","0.1785","","","0.4039","0.4306","","","","","","2.275","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513420","14.709","0.003","24.134","0.005","8.1174","0.0016","90","","90.06","0.03","90","","2881.6","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 Cl4 N4 O4 -","- C34 H20 Cl4 N4 O4 -","- C136 H80 Cl16 N16 O16 -","4","1","","Gao, Jing; Xiao, Chengyi; Jiang, Wei; Wang, Zhaohui","Cyano-Substituted Perylene Diimides with Linearly Correlated LUMO Levels.","Organic letters","2014","16","2","394","397","10.1021/ol403250r","","","0.71073","MoKα","","0.1309","0.0951","","","0.1692","0.185","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513421","12.8224","0.0003","14.2116","0.0003","18.3477","0.0004","98.9303","0.0018","107.07","0.002","101.931","0.002","3042.64","0.13","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H55 Cl13 N2 O7.5 P -","- C52 H40 Cl13 N2 O6 P -","- C104 H80 Cl26 N4 O12 P2 -","2","1","","Véron, Anna C; Zhang, Hui; Linden, Anthony; Nüesch, Frank; Heier, Jakob; Hany, Roland; Geiger, Thomas","NIR-Absorbing Heptamethine Dyes with Tailor-Made Counterions for Application in Light to Energy Conversion.","Organic letters","2014","16","4","1044","1047","10.1021/ol4034385","","","1.54184","CuKα","","0.0776","0.0643","","","0.1714","0.1825","","","","","","1","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513422","8.4401","0.0003","24.4463","0.0015","31.1399","0.0011","90","","94.948","0.003","90","","6401.1","0.5","160","2","160","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C34 H40 Cl F6 N2 P -","- C34 H40 Cl F6 N2 P -","- C272 H320 Cl8 F48 N16 P8 -","8","4","","Véron, Anna C; Zhang, Hui; Linden, Anthony; Nüesch, Frank; Heier, Jakob; Hany, Roland; Geiger, Thomas","NIR-Absorbing Heptamethine Dyes with Tailor-Made Counterions for Application in Light to Energy Conversion.","Organic letters","2014","16","4","1044","1047","10.1021/ol4034385","","","0.71073","MoKα","","0.0696","0.0559","","","0.1377","0.1467","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513423","8.6482","0.0004","22.5718","0.0012","11.0285","0.0007","90","","104.935","0.006","90","","2080.1","0.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O2 S -","- C24 H22 N2 O2 S -","- C96 H88 N8 O8 S4 -","4","1","","Xing, Yanpeng; Sheng, Guorong; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Triazoloindoles via Tandem Copper Catalysis and Their Utility as α-Imino Rhodium Carbene Precursors.","Organic letters","2014","16","4","1244","1247","10.1021/ol5002347","","","0.71073","MoKα","","0.0582","0.0417","","","0.0986","0.1099","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513424","12.2997","0.0005","13.4444","0.0005","15.1233","0.0007","90","","103.646","0.004","90","","2430.23","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N3 O2 S -","- C29 H25 N3 O2 S -","- C116 H100 N12 O8 S4 -","4","1","","Xing, Yanpeng; Sheng, Guorong; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Triazoloindoles via Tandem Copper Catalysis and Their Utility as α-Imino Rhodium Carbene Precursors.","Organic letters","2014","16","4","1244","1247","10.1021/ol5002347","","","0.71073","MoKα","","0.0766","0.0505","","","0.1242","0.1425","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513425","11.4322","0.0007","22.0069","0.0012","8.2441","0.0005","90","","98.244","0.007","90","","2052.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O2 S -","- C25 H22 N2 O2 S -","- C100 H88 N8 O8 S4 -","4","1","","Xing, Yanpeng; Sheng, Guorong; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Triazoloindoles via Tandem Copper Catalysis and Their Utility as α-Imino Rhodium Carbene Precursors.","Organic letters","2014","16","4","1244","1247","10.1021/ol5002347","","","0.71073","MoKα","","0.0878","0.0516","","","0.1133","0.1329","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513426","11.4547","0.0003","13.3323","0.0004","48.8967","0.0014","90","","90","","90","","7467.4","0.4","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H40 N O5 P -","- C46 H40 N O5 P -","- C368 H320 N8 O40 P8 -","8","2","","Morin, Marie S. T.; Arndtsen, Bruce A.","Chiral phosphorus-based 1,3-dipoles: a modular approach to enantioselective 1,3-dipolar cycloaddition and polycyclic 2-pyrroline synthesis.","Organic letters","2014","16","4","1056","1059","10.1021/ol4035512","","","1.54178","CuKα","","0.0974","0.0685","","","0.1531","0.1694","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513427","15.7825","0.0002","5.8322","0.0001","18.8095","0.0002","90","","113.102","0.001","90","","1592.51","0.04","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","2","","Morin, Marie S. T.; Arndtsen, Bruce A.","Chiral phosphorus-based 1,3-dipoles: a modular approach to enantioselective 1,3-dipolar cycloaddition and polycyclic 2-pyrroline synthesis.","Organic letters","2014","16","4","1056","1059","10.1021/ol4035512","","","1.54178","CuKα","","0.0281","0.028","","","0.0722","0.0723","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513428","8.5432","0.0002","16.2125","0.0004","11.468","0.0005","90","","90.352","0.002","90","","1588.36","0.09","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H30 F6 Mn N6 O6 S2 -","- C26 H30 F6 Mn N6 O6 S2 -","- C52 H60 F12 Mn2 N12 O12 S4 -","2","1","","Shen, Duyi; Miao, Chengxia; Wang, Shoufeng; Xia, Chungu; Sun, Wei","Efficient benzylic and aliphatic C-h oxidation with selectivity for methylenic sites catalyzed by a bioinspired manganese complex.","Organic letters","2014","16","4","1108","1111","10.1021/ol4037083","","","0.7107","MoKα","","0.0354","0.0324","","","0.0698","0.0717","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513429","9.953","0.002","18.073","0.004","18.081","0.004","116.66","0.03","100.49","0.03","100.58","0.03","2724.7","1.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N S -","- C24 H17 N S -","- C144 H102 N6 S6 -","6","3","","Zhao, Peng; Yan, Xiaoyu; Yin, Hang; Xi, Chanjuan","Alkyltriflate-Triggered Annulation of Arylisothiocyanates and Alkynes Leading to Multiply Substituted Quinolines through Domino Electrophilic Activation.","Organic letters","2014","16","4","1120","1123","10.1021/ol500221u","","","0.71073","MoKα","","","0.0502","","","0.1213","0.1249","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513430","11.406","0.002","6.9954","0.0014","16.879","0.003","90","","91.93","0.03","90","","1346","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Br N S -","- C16 H12 Br N S -","- C64 H48 Br4 N4 S4 -","4","1","","Zhao, Peng; Yan, Xiaoyu; Yin, Hang; Xi, Chanjuan","Alkyltriflate-Triggered Annulation of Arylisothiocyanates and Alkynes Leading to Multiply Substituted Quinolines through Domino Electrophilic Activation.","Organic letters","2014","16","4","1120","1123","10.1021/ol500221u","","","0.71073","MoKα","","","0.0325","","","0.0695","0.0711","","","","","","1.146","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513431","22.58","0.005","11.871","0.002","16.728","0.003","90","","124.64","0.03","90","","3689.1","1.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 N O S -","- C23 H20 N O S -","- C184 H160 N8 O8 S8 -","8","1","","Zhao, Peng; Yan, Xiaoyu; Yin, Hang; Xi, Chanjuan","Alkyltriflate-Triggered Annulation of Arylisothiocyanates and Alkynes Leading to Multiply Substituted Quinolines through Domino Electrophilic Activation.","Organic letters","2014","16","4","1120","1123","10.1021/ol500221u","","","0.71073","MoKα","","","0.1116","","","0.1795","0.1972","","","","","","1.187","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513432","18.4649","0.0005","7.9164","0.0002","11.5345","0.0009","90","","94.47","0.004","90","","1680.93","0.15","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl N2 O -","- C20 H15 Cl N2 O -","- C80 H60 Cl4 N8 O4 -","4","1","","Takahashi, Hiroki; Yasui, Seiji; Tsunoi, Shinji; Shibata, Ikuya","Catalytic cycloaddition of 2-methyleneaziridines with 1,1-dicyanoalkenes.","Organic letters","2014","16","4","1192","1195","10.1021/ol500062a","","","1.54187","CuKα","","","0.0728","","","","0.2357","","","","","","0.594","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513433","6.0877","0.0003","10.9989","0.0008","11.2984","0.0009","83.29","0.006","87.571","0.005","83.717","0.006","746.49","0.09","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C36 H28 N4 O6 -","2","1","","Hao, Xin-Qi; Chen, Li-Juan; Ren, Baozeng; Li, Liu-Yan; Yang, Xin-Yan; Gong, Jun-Fang; Niu, Jun-Long; Song, Mao-Ping","Copper-mediated direct aryloxylation of benzamides assisted by an n,o-bidentate directing group.","Organic letters","2014","16","4","1104","1107","10.1021/ol500166d","","","0.7107","MoKα","","0.0677","0.0445","","","0.0991","0.1114","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513434","7.2876","0.0007","12.0282","0.0012","12.8131","0.0019","115.87","0.012","93.712","0.01","98.655","0.008","988.3","0.2","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C48 H36 N4 O8 -","2","1","","Hao, Xin-Qi; Chen, Li-Juan; Ren, Baozeng; Li, Liu-Yan; Yang, Xin-Yan; Gong, Jun-Fang; Niu, Jun-Long; Song, Mao-Ping","Copper-mediated direct aryloxylation of benzamides assisted by an n,o-bidentate directing group.","Organic letters","2014","16","4","1104","1107","10.1021/ol500166d","","","0.7107","MoKα","","0.0789","0.053","","","0.1235","0.1398","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513435","11.015","0.008","12.485","0.01","13.435","0.01","102.315","0.01","110.462","0.008","93.671","0.009","1672","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H33 F3 N O4 Rh S -","- C37 H32 F3 N O4 Rh S -","- C74 H64 F6 N2 O8 Rh2 S2 -","2","1","","Yu, Songjie; Li, Xingwei","Mild Synthesis of Chalcones via Rhodium(III)-Catalyzed C-C Coupling of Arenes and Cyclopropenones.","Organic letters","2014","16","4","1220","1223","10.1021/ol500140e","","","0.71073","MoKα","","0.1648","0.0957","","","0.1815","0.1974","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513436","10.7315","0.0004","13.8056","0.0005","14.032","0.0005","89.874","0.002","88.794","0.002","68.616","0.002","1935.33","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N O -","- C26 H19 N O -","- C104 H76 N4 O4 -","4","2","","Yu, Songjie; Li, Xingwei","Mild Synthesis of Chalcones via Rhodium(III)-Catalyzed C-C Coupling of Arenes and Cyclopropenones.","Organic letters","2014","16","4","1220","1223","10.1021/ol500140e","","","0.71073","MoKα","","0.0497","0.0386","","","0.1036","0.1102","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513437","8.9589","0.0003","9.9488","0.0004","10.2552","0.0004","115.145","0.0011","98.6848","0.0012","96.7865","0.0012","800.79","0.05","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C42 H36 O6 -","2","1","","Teo, Wan Teng; Rao, Weidong; Ng, Charmaine Jia Huan; Koh, Shaun Wei Yong; Chan, Philip Wai Hong","Gold-Catalyzed Benzannulation of 5-Hydroxy-3-oxoalk-6-ynoate Esters to o-Phenolic Esters.","Organic letters","2014","16","4","1248","1251","10.1021/ol5002363","","","0.71073","MoKα","","0.0473","0.0391","","","0.1096","0.1257","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513438","9.7909","0.0003","9.9299","0.0003","15.0054","0.0005","90","","108.195","0.001","90","","1385.92","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F3 N4 O2 S -","- C12 H11 F3 N4 O2 S -","- C48 H44 F12 N16 O8 S4 -","4","1","","Qiao, Zongjun; Wei, Jianpeng; Jiang, Xuefeng","Direct Cross-Coupling Access to Diverse Aromatic Sulfide: Palladium-Catalyzed Double C-S Bond Construction Using Na2S2O3 as a Sulfurating Reagent.","Organic letters","2014","16","4","1212","1215","10.1021/ol500112y","","","0.71073","MoKα","","0.075","0.0661","","","0.191","0.2036","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513439","13.224","0.002","6.1677","0.001","22.599","0.003","90","","118.413","0.009","90","","1621.2","0.4","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl 2-methyl-5-(o-tolyl)piperazine-1-carboxylate","","- C17 H26 N2 O2 -","- C17 H26 N2 O2 -","- C68 H104 N8 O8 -","4","1","","Luescher, Michael U.; Vo, Cam-Van T; Bode, Jeffrey W.","SnAP Reagents for the Synthesis of Piperazines and Morpholines.","Organic letters","2014","16","4","1236","1239","10.1021/ol500210z","","x-ray","0.71073","MoKα","K-L~3~","0.1148","0.0666","","","0.1598","0.1871","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513440","9.62","0.002","6.3559","0.0012","20.787","0.004","90","","107.642","0.008","90","","1211.2","0.4","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-dimethyl-4-(6-methylmorpholin-3-yl)aniline","","- C13 H20 N2 O -","- C13 H20 N2 O -","- C52 H80 N8 O4 -","4","1","","Luescher, Michael U.; Vo, Cam-Van T; Bode, Jeffrey W.","SnAP Reagents for the Synthesis of Piperazines and Morpholines.","Organic letters","2014","16","4","1236","1239","10.1021/ol500210z","","x-ray","0.71073","MoKα","K-L~3~","0.078","0.0509","","","0.1239","0.1382","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513441","10.1265","0.0002","10.6178","0.0002","18.064","0.0003","90","","90","","90","","1942.26","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N3 O2 -","- C20 H29 N3 O2 -","- C80 H116 N12 O8 -","4","1","","Kapras, Vojtěch; Pohl, Radek; Císařová, Ivana; Jahn, Ullrich","Asymmetric Domino Aza-Michael Addition/[3 + 2] Cycloaddition Reactions as a Versatile Approach to α,β,γ-Triamino Acid Derivatives.","Organic letters","2014","16","4","1088","1091","10.1021/ol403660w","","","0.71073","MoKα","","0.0392","0.0341","","","0.0817","0.0847","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513442","8.2352","0.0002","9.944","0.0002","23.9419","0.0006","90","","90","","90","","1960.62","0.08","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N3 O2 -","- C20 H29 N3 O2 -","- C80 H116 N12 O8 -","4","1","","Kapras, Vojtěch; Pohl, Radek; Císařová, Ivana; Jahn, Ullrich","Asymmetric Domino Aza-Michael Addition/[3 + 2] Cycloaddition Reactions as a Versatile Approach to α,β,γ-Triamino Acid Derivatives.","Organic letters","2014","16","4","1088","1091","10.1021/ol403660w","","","0.71073","MoKα","","0.032","0.0304","","","0.0783","0.0797","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513443","15.6508","0.0006","6.3555","0.0003","24.6704","0.0012","90","","101.826","0.002","90","","2401.85","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 N O2.5 S Si -","- C24 H32 N O2.5 S Si -","- C96 H128 N4 O10 S4 Si4 -","4","2","","Fustero, Santos; Lázaro, Rubén; Aiguabella, Nuria; Riera, Antoni; Simón-Fuentes, Antonio; Barrio, Pablo","Asymmetric allylation/Pauson-Khand reaction: a simple entry to polycyclic amines. Application to the synthesis of aminosteroid analogues","Organic Letters","2014","16","4","1224","1227","10.1021/ol500142c","","","0.71073","MoKα","","0.042","0.0354","","","0.0969","0.111","","","","","","1.083","","","","has coordinates","218674","2020-10-21","18:00:00",""
"1513444","5.86956","0.00007","16.1458","0.0002","22.8868","0.0003","90","","90","","90","","2168.95","0.05","100.3","0.6","100.3","0.6","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O3 S -","- C24 H29 N O3 S -","- C96 H116 N4 O12 S4 -","4","1","","Fustero, Santos; Lázaro, Rubén; Aiguabella, Nuria; Riera, Antoni; Simón-Fuentes, Antonio; Barrio, Pablo","Asymmetric allylation/Pauson-Khand reaction: a simple entry to polycyclic amines. Application to the synthesis of aminosteroid analogues","Organic Letters","2014","16","4","1224","1227","10.1021/ol500142c","","x-ray","1.54184","CuKα","","0.0261","0.0254","","","0.066","0.0666","","","","","","1.052","","","","has coordinates","218674","2020-10-21","18:00:00",""
"1513445","33.2464","0.0015","6.863","0.0005","31.448","0.002","90","","109.185","0.003","90","","6777","0.7","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","2011mg01mcf01","","","- C70 H78 N2 -","- C70 H78 N2 -","- C280 H312 N8 -","4","1","","Castro-Fernández, Silvia; Lahoz, Inmaculada R.; Llamas-Saiz, Antonio L; Alonso-Gómez, José Lorenzo; Cid, María-Magdalena; Navarro-Vázquez, Armando","Preparation and Characterization of a Halogen-Bonded Shape-Persistent Chiral Alleno-acetylenic Inclusion Complex.","Organic letters","2014","16","4","1136","1139","10.1021/ol403778f","","x-ray","1.54178","CuKα","","0.0911","0.0561","","","0.1434","0.1582","","","","","","0.93","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513446","14.078","0.002","15.968","0.003","16.71","0.003","107.796","0.004","101.993","0.005","90.015","0.005","3490.3","1","100","2","100","2","","","","","","","","5","P 1","P 1","1","14_2_hb","","","- C74 H78 F8 I2 N2 -","- C74 H78 F8 I2 N2 -","- C148 H156 F16 I4 N4 -","2","2","","Castro-Fernández, Silvia; Lahoz, Inmaculada R.; Llamas-Saiz, Antonio L; Alonso-Gómez, José Lorenzo; Cid, María-Magdalena; Navarro-Vázquez, Armando","Preparation and Characterization of a Halogen-Bonded Shape-Persistent Chiral Alleno-acetylenic Inclusion Complex.","Organic letters","2014","16","4","1136","1139","10.1021/ol403778f","","x-ray","0.71073","MoKα","","0.1306","0.0745","","","0.1756","0.208","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513447","8.891","0.0003","9.473","0.0002","9.472","0.0003","90","","110.488","0.001","90","","747.31","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Holmquist, Melireth; Blay, Gonzalo; Muñoz, M Carmen; Pedro, José R","Enantioselective addition of nitromethane to 2-acylpyridine N-oxides. Expanding the generation of quaternary stereocenters with the Henry reaction.","Organic letters","2014","16","4","1204","1207","10.1021/ol500082d","","","0.71073","MoKα","","0.091","0.0486","","","0.1125","0.1465","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513448","9.5602","0.0008","10.0738","0.0008","20.0433","0.0016","90","","103.413","0.003","90","","1877.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Cu2 I2 N2 P2 -","- C32 H56 Cu2 I2 N2 P2 -","- C64 H112 Cu4 I4 N4 P4 -","2","0.5","","Gurung, Santosh K.; Thapa, Surendra; Kafle, Arjun; Dickie, Diane A.; Giri, Ramesh","Copper-Catalyzed Suzuki-Miyaura Coupling of Arylboronate Esters: Transmetalation with (PN)CuF and Identification of Intermediates.","Organic letters","2014","16","4","1264","1267","10.1021/ol500310u","","","0.71073","MoKα","","0.0244","0.0192","","","0.0429","0.045","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513449","8.4927","0.0013","8.7287","0.0015","12.6862","0.0018","86.989","0.011","76.97","0.011","68.516","0.01","852.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 Cu2 F2 N2 P2 -","- C32 H56 Cu2 F2 N2 P2 -","- C32 H56 Cu2 F2 N2 P2 -","1","0.5","","Gurung, Santosh K.; Thapa, Surendra; Kafle, Arjun; Dickie, Diane A.; Giri, Ramesh","Copper-Catalyzed Suzuki-Miyaura Coupling of Arylboronate Esters: Transmetalation with (PN)CuF and Identification of Intermediates.","Organic letters","2014","16","4","1264","1267","10.1021/ol500310u","","","0.71073","MoKα","","0.0628","0.0436","","","0.0869","0.094","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513450","18.6292","0.0013","9.3181","0.0008","12.5012","0.0009","90","","90","","90","","2170.1","0.3","101","2","101","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H33 Cu N P -","- C22 H33 Cu N P -","- C88 H132 Cu4 N4 P4 -","4","1","","Gurung, Santosh K.; Thapa, Surendra; Kafle, Arjun; Dickie, Diane A.; Giri, Ramesh","Copper-Catalyzed Suzuki-Miyaura Coupling of Arylboronate Esters: Transmetalation with (PN)CuF and Identification of Intermediates.","Organic letters","2014","16","4","1264","1267","10.1021/ol500310u","","","0.71073","MoKα","","0.1178","0.0629","","","0.1114","0.1249","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513451","30.1051","0.0006","30.0687","0.0006","7.05381","0.00016","90","","90","","90","","6385.3","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H15 N O7 -","- C18 H15 N O7 -","- C288 H240 N16 O112 -","16","2","","Jolibois, Alexandre E. R.; Lewis, William; Moody, Christopher J.","Total synthesis of (±)-distomadines a and B.","Organic letters","2014","16","4","1064","1067","10.1021/ol403598k","","x-ray","1.54184","CuKα","","0.0448","0.0358","","","0.0884","0.0933","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513452","8.2246","0.0005","10.2692","0.0006","19.3753","0.0013","87.895","0.005","83.248","0.005","88.205","0.005","1623.39","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H36 D4 N4 O12 -","- C30 H36 N4 O11 -","- C60 H72 N8 O22 -","2","1","","Jolibois, Alexandre E. R.; Lewis, William; Moody, Christopher J.","Total synthesis of (±)-distomadines a and B.","Organic letters","2014","16","4","1064","1067","10.1021/ol403598k","","x-ray","1.54184","CuKα","","0.0888","0.0712","","","0.1803","0.1941","","","","","","1.079","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513453","7.8031","0.0004","9.1491","0.0005","16.0757","0.0007","77.259","0.004","83.756","0.004","78.585","0.005","1094.72","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N O7 -","- C26 H25 N O7 -","- C52 H50 N2 O14 -","2","1","","Jolibois, Alexandre E. R.; Lewis, William; Moody, Christopher J.","Total synthesis of (±)-distomadines a and B.","Organic letters","2014","16","4","1064","1067","10.1021/ol403598k","","x-ray","1.54184","CuKα","K-L~2,3~","0.0393","0.0368","","","0.0944","0.0964","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513454","10.2556","0.0007","24.4715","0.0015","9.0713","0.0008","90","","106.55","0.008","90","","2182.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O3 -","- C28 H24 O3 -","- C112 H96 O12 -","4","1","","Shen, Ruwei; Chen, Ke; Deng, Qiulin; Yang, Jianjun; Zhang, Lixiong","Highly Stereoselective Generation of Complex Oxy-Bicyclic Scaffolds via an Atom-Economic Pd(II)-Catalyzed Hydroalkynylation, Isomerization and Diels-Alder Cycloaddition Sequence.","Organic letters","2014","16","4","1208","1211","10.1021/ol500101b","","","0.71073","MoKα","","0.0807","0.0472","","","0.1001","0.1146","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513455","14.8441","0.0007","7.7448","0.0003","18.0075","0.0009","90","","113.215","0.001","90","","1902.6","0.15","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C96 H92 N4 O16 -","4","1","","Viswambharan, Baby; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Substrate Control in Enantioselective and Diastereoselective Aldol Reaction by Memory of Chirality: A Rapid Access to Enantiopure β-Hydroxy Quaternary α-Amino Acids.","Organic letters","2014","16","3","788","791","10.1021/ol403523e","","x-ray","0.71073","MoKα","","0.0704","0.0452","","","0.1072","0.1226","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513456","8.0051","0.0002","17.9833","0.0006","28.7749","0.001","90","","90","","90","","4142.4","0.2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br N O4 -","- C24 H22 Br N O4 -","- C192 H176 Br8 N8 O32 -","8","2","","Viswambharan, Baby; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Substrate Control in Enantioselective and Diastereoselective Aldol Reaction by Memory of Chirality: A Rapid Access to Enantiopure β-Hydroxy Quaternary α-Amino Acids.","Organic letters","2014","16","3","788","791","10.1021/ol403523e","","x-ray","0.71073","MoKα","","0.0483","0.0353","","","0.0728","0.0758","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513457","9.9229","0.0003","10.8841","0.0003","9.9414","0.0003","90","","99.819","0.001","90","","1057.96","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 Br N O4 -","- C24 H22 Br N O4 -","- C48 H44 Br2 N2 O8 -","2","1","","Viswambharan, Baby; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Substrate Control in Enantioselective and Diastereoselective Aldol Reaction by Memory of Chirality: A Rapid Access to Enantiopure β-Hydroxy Quaternary α-Amino Acids.","Organic letters","2014","16","3","788","791","10.1021/ol403523e","","x-ray","0.71073","MoKα","","0.0309","0.0264","","","0.0609","0.0625","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513458","9.4102","0.0003","10.467","0.0004","10.3023","0.0004","90","","98.469","0.001","90","","1003.68","0.06","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 F N O4 -","- C24 H22 F N O4 -","- C48 H44 F2 N2 O8 -","2","1","","Viswambharan, Baby; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Substrate Control in Enantioselective and Diastereoselective Aldol Reaction by Memory of Chirality: A Rapid Access to Enantiopure β-Hydroxy Quaternary α-Amino Acids.","Organic letters","2014","16","3","788","791","10.1021/ol403523e","","x-ray","0.71073","MoKα","","0.0378","0.0345","","","0.0866","0.0895","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513459","8.3847","0.0002","26.3518","0.0009","8.3634","0.0003","90","","90","","90","","1847.91","0.1","100","1","100","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C88 H84 N4 O20 -","4","1","","Viswambharan, Baby; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Substrate Control in Enantioselective and Diastereoselective Aldol Reaction by Memory of Chirality: A Rapid Access to Enantiopure β-Hydroxy Quaternary α-Amino Acids.","Organic letters","2014","16","3","788","791","10.1021/ol403523e","","x-ray","0.71073","MoKα","","0.0391","0.0353","","","0.0881","0.0903","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513460","9.2689","0.0003","11.8049","0.0003","29.331","0.0008","90","","90","","90","","3209.35","0.16","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N2 O4 S -","- C37 H36 N2 O4 S -","- C148 H144 N8 O16 S4 -","4","1","","Rao, V. U. Bhaskara; Jadhav, Amol P.; Garad, Dnyaneshwar; Singh, Ravi P.","Asymmetric Vinylogous Mannich Reaction of Silyloxy Furans with N-tert-Butanesulfinyl Ketimines.","Organic letters","2014","16","3","648","651","10.1021/ol4037117","","","0.71073","MoKα","","0.0551","0.0426","","","0.104","0.1109","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513461","5.119","0.002","8.73","0.003","14.233","0.006","74.729","0.005","80.666","0.005","79.881","0.005","599.5","0.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F3 O2 S -","- C13 H9 F3 O2 S -","- C26 H18 F6 O4 S2 -","2","1","","Yasu, Yusuke; Arai, Yusuke; Tomita, Ren; Koike, Takashi; Akita, Munetaka","Highly Regio- and Diastereoselective Synthesis of CF3-Substituted Lactones via Photoredox-Catalyzed Carbolactonization of Alkenoic Acids.","Organic letters","2014","16","3","780","783","10.1021/ol403500y","","","0.71073","MoKα","","0.0599","0.0447","","","0.1175","0.1234","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513462","9.664","0.002","10.003","0.002","14.245","0.003","90","","109.73","0.003","90","","1296.2","0.5","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 F3 O2 -","- C14 H15 F3 O2 -","- C56 H60 F12 O8 -","4","2","","Yasu, Yusuke; Arai, Yusuke; Tomita, Ren; Koike, Takashi; Akita, Munetaka","Highly Regio- and Diastereoselective Synthesis of CF3-Substituted Lactones via Photoredox-Catalyzed Carbolactonization of Alkenoic Acids.","Organic letters","2014","16","3","780","783","10.1021/ol403500y","","","0.71073","MoKα","","0.0713","0.0485","","","0.1167","0.1238","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513463","5.1782","0.0005","11.752","0.0011","14.9599","0.0014","69.088","0.005","80.195","0.006","83.679","0.006","836.78","0.14","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 O4 -","- C23 H18 O4 -","- C46 H36 O8 -","2","1","","Bhojgude, Sachin Suresh; Bhunia, Anup; Gonnade, Rajesh G.; Biju, Akkattu T.","Efficient synthesis of 9-aryldihydrophenanthrenes by a cascade reaction involving arynes and styrenes.","Organic letters","2014","16","3","676","679","10.1021/ol4033094","","","0.71073","MoKα","","0.0729","0.0547","","","0.1274","0.1365","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513464","31.361","0.005","5.4611","0.0008","13.461","0.002","90","","91.404","0.004","90","","2304.7","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H23 Br O3 S -","- C27 H23 Br O3 S -","- C108 H92 Br4 O12 S4 -","4","1","","Wang, Shengzheng; Zhang, Yongqiang; Dong, Guoqiang; Wu, Shanchao; Fang, Kun; Li, Zhengang; Miao, Zhenyuan; Yao, Jianzhong; Li, Hao; Li, Jian; Zhang, Wannian; Wang, Wei; Sheng, Chunquan","Facile Assembly of Chiral Tetrahydrothiopyrans Containing Four Consecutive Stereocenters via an Organocatalytic Enantioselective Michael-Michael Cascade.","Organic letters","2014","16","3","692","695","10.1021/ol4033557","","","0.71073","MoKα","","0.0345","0.0289","","","0.0785","0.0802","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513465","14.6574","0.0007","15.6368","0.0007","17.2398","0.0007","98.501","0.002","92.026","0.002","92.976","0.003","3898.9","0.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C91.5 H93.48 N6 O2 Zn -","- C91.5 H93.482 N6 O2 Zn -","- C183 H186.964 N12 O4 Zn2 -","2","1","","Fujimoto, Keisuke; Yorimitsu, Hideki; Osuka, Atsuhiro","Facile Preparation of β-Haloporphyrins as Useful Precursors of β-Substituted Porphyrins.","Organic letters","2014","16","3","972","975","10.1021/ol4037049","","","1.54187","CuKα","","0.1765","0.1","","","0.2378","0.3082","","","","","","1.07","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513466","13.0277","0.0002","17.4618","0.0003","15.417","0.0003","90","","112.166","0.001","90","","3247.97","0.1","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H82 I2 N4 O Zn -","- C70 H82 I2 N4 O Zn -","- C140 H164 I4 N8 O2 Zn2 -","2","1","","Fujimoto, Keisuke; Yorimitsu, Hideki; Osuka, Atsuhiro","Facile Preparation of β-Haloporphyrins as Useful Precursors of β-Substituted Porphyrins.","Organic letters","2014","16","3","972","975","10.1021/ol4037049","","","1.54187","CuKα","","0.0658","0.0627","","","0.1529","0.1571","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513467","9.4123","0.0002","18.6641","0.0003","20.8623","0.0004","111.756","0.0008","102.842","0.0008","97.3951","0.0011","3227.3","0.11","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H79 Cl3 N7 O Zn -","- C69 H79 Cl3 N7 O Zn -","- C138 H158 Cl6 N14 O2 Zn2 -","2","1","","Fujimoto, Keisuke; Yorimitsu, Hideki; Osuka, Atsuhiro","Facile Preparation of β-Haloporphyrins as Useful Precursors of β-Substituted Porphyrins.","Organic letters","2014","16","3","972","975","10.1021/ol4037049","","","1.54187","CuKα","","0.0918","0.0683","","","0.1833","0.2106","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513468","13.995","0.011","10.384","0.009","18.902","0.015","90","","101.9","0.011","90","","2688","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Cl N2 O4 S -","- C30 H27 Cl N2 O4 S -","- C120 H108 Cl4 N8 O16 S4 -","4","1","","Zheng, Chen; Chen, Jin Jin; Fan, Renhua","Dearomatization Strategy and Palladium-Catalyzed Domino Reaction: Construction of Azepino[5,4,3-cd]indoles from 2-Alkynylanilines.","Organic letters","2014","16","3","816","819","10.1021/ol403557q","","","0.71073","MoKα","","0.071","0.0491","","","0.1186","0.1266","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513469","11.1314","0.0008","11.2899","0.0008","12.8198","0.0008","97.378","0.003","98.233","0.003","107.436","0.003","1495.98","0.18","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","bis(CF3)PDI","N,N'-(1-cyclohexyl)-1,7-(trifluoromethyl) perylenetetracarboxylic diimide","","- C38 H28 F6 N2 O4 -","- C38 H28 F6 N2 O4 -","- C76 H56 F12 N4 O8 -","2","1","","Roznyatovskiy, Vladimir V.; Gardner, Daniel M.; Eaton, Samuel W.; Wasielewski, Michael R.","Radical anions of trifluoromethylated perylene and naphthalene imide and diimide electron acceptors.","Organic letters","2014","16","3","696","699","10.1021/ol403736m","","","1.54178","CuKα","","0.0307","0.028","","","0.0742","0.0765","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513470","4.9874","0.0007","8.9169","0.0013","16.946","0.002","85.639","0.004","82.595","0.004","81.82","0.004","738.46","0.17","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","bis(CF3)NDI","N,N'-(n-octyl)-2,6-trifluoromethyl- 1,4,5,8-naphthalenetetracarboxylic diimide","","- C32 H36 F6 N2 O4 -","- C32 H36 F6 N2 O4 -","- C32 H36 F6 N2 O4 -","1","0.5","","Roznyatovskiy, Vladimir V.; Gardner, Daniel M.; Eaton, Samuel W.; Wasielewski, Michael R.","Radical anions of trifluoromethylated perylene and naphthalene imide and diimide electron acceptors.","Organic letters","2014","16","3","696","699","10.1021/ol403736m","","","1.54178","CuKα","","0.0286","0.0283","","","0.0791","0.0793","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513471","3.8624","0.0006","15.954","0.003","20.21","0.003","90","","94.944","0.003","90","","1240.7","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Pyrone","ethyl 6-(4-methoxyphenyl)-2-oxo-2H-pyran-5-carboxylate","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","","Manikandan, Rajendran; Jeganmohan, Masilamani","Ruthenium-Catalyzed Dimerization of Propiolates: A Simple Route to α-Pyrones.","Organic letters","2014","16","3","652","655","10.1021/ol4035929","","","0.71073","MoKα","","0.0519","0.0386","","","0.1174","0.1304","","","","","","0.943","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513472","10.0981","0.0012","8.6701","0.001","18.677","0.002","90","","93.607","0.003","90","","1632","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Pyrone-2","ethyl 2-oxo-4,6-diphenyl-2H-pyran-5-carboxylate","","- C20 H14 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Manikandan, Rajendran; Jeganmohan, Masilamani","Ruthenium-Catalyzed Dimerization of Propiolates: A Simple Route to α-Pyrones.","Organic letters","2014","16","3","652","655","10.1021/ol4035929","","","0.71073","MoKα","","0.1094","0.0716","","","0.2118","0.2394","","","","","","1.425","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513473","23.138","0.001","24.004","0.001","8.6874","0.0004","90","","90","","90","","4825","0.4","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C168 H240 O48 -","8","2","","Gao, Xiu; Shao, Li-Dong; Dong, Liao-Bin; Cheng, Xiao; Wu, Xing-De; Liu, Fei; Jiang, Wei-Wei; Peng, Li-Yan; He, Juan; Zhao, Qin-Shi","Vibsatins A and B, Two New Tetranorvibsane-Type Diterpenoids from Viburnum tinus cv. variegatus.","Organic letters","2014","16","3","980","983","10.1021/ol403707a","","","1.54178","CuKα","","0.1068","0.0743","","","0.1746","0.1884","","","","","","0.948","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513474","21.692","0.004","8.7516","0.0016","22.332","0.003","90","","101.726","0.007","90","","4151","1.2","173.1","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O8 -","- C21 H26 O8 -","- C168 H208 O64 -","8","2","","Yamamoto, Mitsuaki; Hayashi, Shunsuke; Isa, Kazuki; Kawatsura, Motoi","Palladium-Catalyzed Double Alkylation of 3-Aryl-2-fluoroallyl Esters with Malonate Nucleophiles through the Carbon-Fluorine Bond Cleavage.","Organic letters","2014","16","3","700","703","10.1021/ol500121z","","","0.71075","MoKα","","","0.0945","","","","0.2053","","","","","","1.547","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513475","14.3562","0.0008","14.8127","0.0008","17.4328","0.0009","90","","110.316","0.002","90","","3476.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DACHPPh2","","","- C42 H45 N2 O2 P -","- C42 H45 N2 O2 P -","- C168 H180 N8 O8 P4 -","4","1","","Chase, Daniel T.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Exploring the chemistry of n,n'-diamidocarbenes with organophosphorus compounds.","Organic letters","2014","16","3","812","815","10.1021/ol4035484","","","0.71075","MoKα","","0.0451","0.0425","","","0.1124","0.1148","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513476","17.07","0.004","16.146","0.004","7.7572","0.0017","90","","91.011","0.005","90","","2137.6","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DACRearranged","","","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","- C96 H112 N8 O8 -","4","1","","Chase, Daniel T.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Exploring the chemistry of n,n'-diamidocarbenes with organophosphorus compounds.","Organic letters","2014","16","3","812","815","10.1021/ol4035484","","","0.71075","MoKα","","0.1198","0.0942","","","0.2249","0.2434","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513477","8.441","0.007","16.218","0.013","15.825","0.013","90","","96.725","0.013","90","","2151","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DACMethylene","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C100 H120 N8 O8 -","4","1","","Chase, Daniel T.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Exploring the chemistry of n,n'-diamidocarbenes with organophosphorus compounds.","Organic letters","2014","16","3","812","815","10.1021/ol4035484","","","0.71075","MoKα","","0.1377","0.0889","","","0.2025","0.2377","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513478","7.7491","0.0006","32.258","0.002","10.4006","0.0014","90","","90.016","0.008","90","","2599.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Br O3 -","- C13 H17 Br O3 -","- C104 H136 Br8 O24 -","8","2","","Shen, Zhi-Liang; Peng, Zhihua; Yang, Chun-Ming; Helberg, Julian; Mayer, Peter; Marek, Ilan; Knochel, Paul","Highly diastereoselective preparation of aldol products using new functionalized allylic aluminum reagents.","Organic letters","2014","16","3","956","959","10.1021/ol403692k","","","0.71073","MoKα","","0.0632","0.0402","","","0.074","0.0832","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513479","9.904","0.005","10.686","0.005","12.143","0.006","107.112","0.011","97.167","0.012","94.954","0.011","1208.3","1","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H34 O3 -","- C31 H34 O3 -","- C62 H68 O6 -","2","1","","Nagamoto, Yuuki; Yamaoka, Yousuke; Fujimura, Shun; Takemoto, Yoshiji; Takasu, Kiyosei","Synthesis of Functionalized Polycyclic Aromatic Compounds via a Formal [2 + 2]-Cycloaddition.","Organic letters","2014","16","3","1008","1011","10.1021/ol403757e","","","0.71075","MoKα","","","0.1151","","","","0.208","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513480","4.8479","0.0007","14.348","0.003","16.644","0.003","87.138","0.004","81.679","0.004","80.307","0.004","1128.8","0.4","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H30 O2 -","- C30 H30 O2 -","- C60 H60 O4 -","2","1","","Nagamoto, Yuuki; Yamaoka, Yousuke; Fujimura, Shun; Takemoto, Yoshiji; Takasu, Kiyosei","Synthesis of Functionalized Polycyclic Aromatic Compounds via a Formal [2 + 2]-Cycloaddition.","Organic letters","2014","16","3","1008","1011","10.1021/ol403757e","","","0.71075","MoKα","","","0.1835","","","","0.2702","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513481","21.8649","0.0016","13.0933","0.0009","17.7804","0.0013","90","","110.708","0.001","90","","4761.4","0.6","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C208 H224 O64 -","16","4","","Youn, So Won; Song, Hyoung Sub; Park, Jong Hyub","Asymmetric Domino Multicatalysis for the Synthesis of 3-Substituted Phthalides: Cinchonine/NHC Cooperative System.","Organic letters","2014","16","3","1028","1031","10.1021/ol5000617","","","0.71073","MoKα","","0.0915","0.0683","","","0.1824","0.2024","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513482","10.0332","0.0004","8.471","0.0004","12.9591","0.0006","90","","107.322","0.004","90","","1051.46","0.08","303","2","303","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 Br N2 O4 -","- C21 H21 Br N2 O4 -","- C42 H42 Br2 N4 O8 -","2","1","","Weng, Jian-Quan; Deng, Qiao-Man; Wu, Liang; Xu, Kai; Wu, Hao; Liu, Ren-Rong; Gao, Jian-Rong; Jia, Yi-Xia","Asymmetric Friedel-Crafts Alkylation of α-Substituted β-Nitroacrylates: Access to β(2,2)-Amino Acids Bearing Indolic All-Carbon Quaternary Stereocenters","Organic Letters","2014","16","3","776","779","10.1021/ol403480v","","","0.71073","MoKα","","0.0512","0.0355","","","0.0976","0.1168","","","","","","0.792","","","","has coordinates","218609","2020-10-21","18:00:00",""
"1513483","9.3592","0.0004","9.858","0.0007","13.1796","0.0007","86.612","0.005","87.077","0.004","84.894","0.004","1207.77","0.12","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C56 H56 N4 O4 -","2","2","","Weng, Jian-Quan; Deng, Qiao-Man; Wu, Liang; Xu, Kai; Wu, Hao; Liu, Ren-Rong; Gao, Jian-Rong; Jia, Yi-Xia","Asymmetric Friedel-Crafts Alkylation of α-Substituted β-Nitroacrylates: Access to β(2,2)-Amino Acids Bearing Indolic All-Carbon Quaternary Stereocenters","Organic Letters","2014","16","3","776","779","10.1021/ol403480v","","","0.71073","MoKα","","0.0708","0.049","","","0.1064","0.1199","","","","","","1.019","","","","has coordinates","218609","2020-10-21","18:00:00",""
"1513484","11.122","0.012","11.816","0.009","14.586","0.014","75.82","0.08","82.96","0.08","69.14","0.05","1735","3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 F3 O2 S -","- C19 H15 F3 O2 S -","- C76 H60 F12 O8 S4 -","4","2","","Yeh, Pei-Pei; Daniels, David S. B.; Cordes, David B.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated one-pot synthesis of trifluoromethyl substituted 2-pyrones.","Organic letters","2014","16","3","964","967","10.1021/ol403697h","","","1.54187","CuKα","","","0.0992","","","","0.3529","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513485","19.62","0.0011","12.7399","0.0007","24.5552","0.0014","90","","105.702","0.001","90","","5908.7","0.6","188","2","188","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H22 Br2 N2 O S4 -","- C90 H22 Br2 N2 O S4 -","- C360 H88 Br8 N8 O4 S16 -","4","1","","Hou, Hui-Lei; Li, Zong-Jun; Gao, Xiang","Reductive benzylation of c60 imidazoline with a bulky addend.","Organic letters","2014","16","3","712","715","10.1021/ol403395r","","","0.71073","MoKα","","0.121","0.0793","","","0.2178","0.2414","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513486","26.815","0.007","6.466","0.002","17.138","0.004","90","","102.188","0.012","90","","2904.5","1.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N4 O4 S -","- C14 H12 N4 O4 S -","- C112 H96 N32 O32 S8 -","8","1","","Lin, Chia-Chi; Hsieh, Tsung-Han; Liao, Pen-Yuan; Liao, Zhen-Yuan; Chang, Chih-Wei; Shih, Yu-Chiao; Yeh, Wen-Hsiung; Chien, Tun-Cheng","Practical Synthesis of N-Substituted Cyanamides via Tiemann Rearrangement of Amidoximes.","Organic letters","2014","16","3","892","895","10.1021/ol403645y","","","0.71073","MoKα","","0.1655","0.0648","","","0.149","0.2212","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513487","8.7956","0.0009","10.4442","0.0011","10.9339","0.0011","69.299","0.002","67.831","0.002","72.037","0.002","852.17","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cl N3 O2 S -","- C14 H12 Cl N3 O2 S -","- C28 H24 Cl2 N6 O4 S2 -","2","1","","Lin, Chia-Chi; Hsieh, Tsung-Han; Liao, Pen-Yuan; Liao, Zhen-Yuan; Chang, Chih-Wei; Shih, Yu-Chiao; Yeh, Wen-Hsiung; Chien, Tun-Cheng","Practical Synthesis of N-Substituted Cyanamides via Tiemann Rearrangement of Amidoximes.","Organic letters","2014","16","3","892","895","10.1021/ol403645y","","","0.71073","MoKα","","0.0588","0.0525","","","0.1584","0.1634","","","","","","0.847","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513488","9.7187","0.0004","10.3158","0.0005","14.7642","0.0006","80.652","0.003","71.319","0.002","86.053","0.003","1383.37","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C56 H52 N12 O8 S4 -","4","2","","Lin, Chia-Chi; Hsieh, Tsung-Han; Liao, Pen-Yuan; Liao, Zhen-Yuan; Chang, Chih-Wei; Shih, Yu-Chiao; Yeh, Wen-Hsiung; Chien, Tun-Cheng","Practical Synthesis of N-Substituted Cyanamides via Tiemann Rearrangement of Amidoximes.","Organic letters","2014","16","3","892","895","10.1021/ol403645y","","","0.71073","MoKα","","0.0795","0.0481","","","0.1021","0.1191","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513489","8.2877","0.0012","8.7172","0.0016","10.9347","0.0018","88.867","0.007","74.001","0.006","73.228","0.007","725.5","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C32 H28 N4 O4 S2 -","2","1","","Lin, Chia-Chi; Hsieh, Tsung-Han; Liao, Pen-Yuan; Liao, Zhen-Yuan; Chang, Chih-Wei; Shih, Yu-Chiao; Yeh, Wen-Hsiung; Chien, Tun-Cheng","Practical Synthesis of N-Substituted Cyanamides via Tiemann Rearrangement of Amidoximes.","Organic letters","2014","16","3","892","895","10.1021/ol403645y","","","0.71073","MoKα","","0.1602","0.0698","","","0.1202","0.1525","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513490","9.75","0.002","11.39","0.003","17.892","0.004","90","","90","","90","","1987","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Br N2 O2 -","- C22 H23 Br N2 O2 -","- C88 H92 Br4 N8 O8 -","4","1","","Mittal, Nisha; Sun, Diana X.; Seidel, Daniel","Conjugate-base-stabilized brønsted acids: catalytic enantioselective pictet-spengler reactions with unmodified tryptamine.","Organic letters","2014","16","3","1012","1015","10.1021/ol403773a","","","0.71073","MoKα","","0.1579","0.0938","","","0.1992","0.225","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513491","15.123","0.004","10.409","0.003","15.834","0.004","90","","95.863","0.004","90","","2479.5","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H47 Br2 N3 O5 -","- C50 H47 Br2 N3 O5 -","- C100 H94 Br4 N6 O10 -","2","1","","Lin, Hua; Sun, Xing-Wen; Lin, Guo-Qiang","Dual-Organocatalyst-Promoted Asymmetric Cascade Reaction: Highly Efficient Construction of Enantiopure Fully Substituted Tetrahydro-1,2-oxazines.","Organic letters","2014","16","3","752","755","10.1021/ol403463h","","","0.71073","MoKα","","0.1131","0.0607","","","0.1522","0.1799","","","","","","0.987","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513492","15.6572","0.0005","20.2909","0.0007","9.0472","0.0003","90","","90","","90","","2874.28","0.17","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C46 H76 N2 O8 P4 Pt2 -","- C46 H76 N2 O8 P4 Pt2 -","- C92 H152 N4 O16 P8 Pt4 -","2","0.5","","Ou-Yang, Jiang-Kun; Zhang, Yan-Yan; He, Meng-Lan; Li, Jiang-Tao; Li, Xiaopeng; Zhao, Xiao-Li; Wang, Cui-Hong; Yu, Yihua; Wang, De-Xian; Xu, Lin; Yang, Hai-Bo","Unexpected Self-Assembly of Chiral Triangles from 90° Chiral Di-Pt(II) Acceptors.","Organic letters","2014","16","3","664","667","10.1021/ol4032649","","","0.71073","MoKα","","0.02","0.0195","","","0.0529","0.0533","","","","","","1.059","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1513493","26.727","0.004","9.8065","0.0013","10.1143","0.0013","90","","92.122","0.003","90","","2649.1","0.6","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H38 N O4 P2 Pt -","- C23 H38 N O4 P2 Pt -","- C92 H152 N4 O16 P8 Pt4 -","4","1","","Ou-Yang, Jiang-Kun; Zhang, Yan-Yan; He, Meng-Lan; Li, Jiang-Tao; Li, Xiaopeng; Zhao, Xiao-Li; Wang, Cui-Hong; Yu, Yihua; Wang, De-Xian; Xu, Lin; Yang, Hai-Bo","Unexpected Self-Assembly of Chiral Triangles from 90° Chiral Di-Pt(II) Acceptors.","Organic letters","2014","16","3","664","667","10.1021/ol4032649","","","0.71073","MoKα","","0.0369","0.035","","","0.0927","0.0942","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513494","22.1444","0.0004","37.274","0.0008","27.7739","0.0005","90","","94.0785","0.0016","90","","22866.8","0.8","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C135 H100 Cl13 N6 O6 -","- C135 H100 Cl13 N6 O6 -","- C1080 H800 Cl104 N48 O48 -","8","2","","Kohl, Bernd; Rominger, Frank; Mastalerz, Michael","Rigid π-Extended Triptycenes via a Hexaketone Precursor.","Organic letters","2014","16","3","704","707","10.1021/ol403383y","","","1.54178","CuKα","","0.1785","0.1376","","","0.3801","0.4208","","","","","","1.565","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513495","11.875","0.003","12.513","0.003","23.689","0.005","98.94","0.003","99.394","0.003","105.091","0.002","3279.9","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H76 F12 N4 O12 P2 -","- C64 H76 F12 N4 O12 P2 -","- C128 H152 F24 N8 O24 P4 -","2","1","","Xu, Jiang-Fei; Chen, Yu-Zhe; Wu, Li-Zhu; Tung, Chen-Ho; Yang, Qing-Zheng","Synthesis of a photoresponsive cryptand and its complexations with paraquat and 2,7-diazapyrenium.","Organic letters","2014","16","3","684","687","10.1021/ol403343s","","","0.71073","MoKα","","0.1128","0.0919","","","0.1908","0.2022","","","","","","1.152","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513496","17.9017","0.0002","12.61697","0.00013","19.0856","0.0002","90","","108.118","0.0013","90","","4097.04","0.08","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Br N3 O -","- C9 H8 Br N3 O -","- C144 H128 Br16 N48 O16 -","16","2","","Hanzlová, Eva; Navrátil, Rafael; Cejka, Jan; Böhm, Stanislav; Martinů, Tomáš","Evidence for the Cyclic CN2 Carbene in Solution.","Organic letters","2014","16","3","852","855","10.1021/ol4036243","","","1.54184","CuKα","","0.0305","0.0284","","0.0805","0.0787","0.0805","","","","","","0.9989","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513497","14.849","0.003","12.95","0.003","30.051","0.005","90","","90","","90","","5779","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H48 Cl4 N12 O4 -","- C59 H48 Cl4 N12 O4 -","- C236 H192 Cl16 N48 O16 -","4","0.5","","Tran, Minh Quan; Ermolenko, Ludmila; Retailleau, Pascal; Nguyen, Thanh Binh; Al-Mourabit, Ali","Reaction of Quinones and Guanidine Derivatives: Simple Access to Bis-2-aminobenzimidazole Moiety of Benzosceptrin and Other Benzazole Motifs.","Organic letters","2014","16","3","920","923","10.1021/ol403672p","","","0.7107","MoKα","","0.0888","0.0682","","","0.1693","0.1819","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513498","10.794","0.002","12.496","0.003","16.394","0.003","89.375","0.005","84.6","0.004","76.159","0.004","2137.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N3 O -","- C26 H23 N3 O -","- C104 H92 N12 O4 -","4","2","","Tran, Minh Quan; Ermolenko, Ludmila; Retailleau, Pascal; Nguyen, Thanh Binh; Al-Mourabit, Ali","Reaction of Quinones and Guanidine Derivatives: Simple Access to Bis-2-aminobenzimidazole Moiety of Benzosceptrin and Other Benzazole Motifs.","Organic letters","2014","16","3","920","923","10.1021/ol403672p","","","0.7107","MoKα","","0.0968","0.0629","","","0.1625","0.188","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513499","8.0289","0.0009","10.2752","0.0011","14.1016","0.0015","110.798","0.001","91.009","0.001","107.27","0.001","1028.61","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","pyrrole3a","","","- C23 H21 N O4 S -","- C23 H21 N O4 S -","- C46 H42 N2 O8 S2 -","2","1","","Wu, Yayang; Cheng, Chi; Jiao, Lijuan; Yu, Changjiang; Wang, Sufan; Wei, Yun; Mu, Xiaolong; Hao, Erhong","β-Thiophene-Fused BF2-Azadipyrromethenes as Near-Infrared Dyes.","Organic letters","2014","16","3","748","751","10.1021/ol4034622","","","0.71073","MoKα","","0.0594","0.0449","","","0.1254","0.1366","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513500","8.9414","0.001","28.522","0.003","23.2853","0.0019","90","","110.371","0.003","90","","5567","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pyrrole3c","","","- C30 H27 N O5 S -","- C30 H27 N O5 S -","- C240 H216 N8 O40 S8 -","8","2","","Wu, Yayang; Cheng, Chi; Jiao, Lijuan; Yu, Changjiang; Wang, Sufan; Wei, Yun; Mu, Xiaolong; Hao, Erhong","β-Thiophene-Fused BF2-Azadipyrromethenes as Near-Infrared Dyes.","Organic letters","2014","16","3","748","751","10.1021/ol4034622","","","0.71073","MoKα","","0.0819","0.0566","","","0.1787","0.1972","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513501","13.4459","0.0012","17.5551","0.0016","20.9947","0.0019","92.009","0.001","93.81","0.002","111.496","0.001","4591.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","azaBDTP5c","","","- C54 H42 B F2 N3 O6 S2 -","- C54 H42 B F2 N3 O6 S2 -","- C216 H168 B4 F8 N12 O24 S8 -","4","2","","Wu, Yayang; Cheng, Chi; Jiao, Lijuan; Yu, Changjiang; Wang, Sufan; Wei, Yun; Mu, Xiaolong; Hao, Erhong","β-Thiophene-Fused BF2-Azadipyrromethenes as Near-Infrared Dyes.","Organic letters","2014","16","3","748","751","10.1021/ol4034622","","","0.71073","MoKα","","0.1572","0.0591","","","0.086","0.1042","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513502","11.9539","0.001","16.0342","0.0013","19.7306","0.0016","101.279","0.001","107.357","0.001","93.043","0.001","3514.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","azaBDTP5d","","","- C72 H78 B F2 N3 S2 -","- C72 H78 B F2 N3 S2 -","- C144 H156 B2 F4 N6 S4 -","2","1","","Wu, Yayang; Cheng, Chi; Jiao, Lijuan; Yu, Changjiang; Wang, Sufan; Wei, Yun; Mu, Xiaolong; Hao, Erhong","β-Thiophene-Fused BF2-Azadipyrromethenes as Near-Infrared Dyes.","Organic letters","2014","16","3","748","751","10.1021/ol4034622","","","0.71073","MoKα","","0.1353","0.0811","","","0.234","0.2668","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513503","7.8654","0.0006","14.273","0.001","22.07","0.0016","90","","90","","90","","2477.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O6 S -","- C26 H31 N O6 S -","- C104 H124 N4 O24 S4 -","4","1","","Wang, Pu-Sheng; Zhou, Xiao-Le; Gong, Liu-Zhu","An organocatalytic asymmetric allylic alkylation allows enantioselective total synthesis of hydroxymetasequirin-a and metasequirin-B tetramethyl ether diacetates.","Organic letters","2014","16","3","976","979","10.1021/ol4037055","","","0.71073","MoKα","","0.0468","0.0335","","","0.0743","0.0811","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513504","8.7966","0.0003","8.4402","0.0002","32.1945","0.0009","90","","93.958","0.001","90","","2384.58","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 O9 -","- C25 H28 O9 -","- C100 H112 O36 -","4","1","","Wang, Pu-Sheng; Zhou, Xiao-Le; Gong, Liu-Zhu","An organocatalytic asymmetric allylic alkylation allows enantioselective total synthesis of hydroxymetasequirin-a and metasequirin-B tetramethyl ether diacetates.","Organic letters","2014","16","3","976","979","10.1021/ol4037055","","","0.71073","MoKα","","0.07","0.0417","","","0.1031","0.1151","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513505","21.1359","0.0007","21.1359","0.0007","40.1543","0.0019","90","","90","","120","","15534.7","1","223","","223","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54.5 H42.5 Cl1.5 N6 O3 -","- C54.5 H42.5 Cl1.5 N6 O3 -","- C654 H510 Cl18 N72 O36 -","12","0.333333","","Abe, Hajime; Ohtani, Kohei; Suzuki, Daiki; Chida, Yusuke; Shimada, Yuta; Matsumoto, Shinya; Inouye, Masahiko","Alternating 2,6-/3,5-Substituted Pyridine-Acetylene Macrocycles: π-Stacking Self-Assemblies Enhanced by Intermolecular Dipole-Dipole Interaction.","Organic letters","2014","16","3","828","831","10.1021/ol403579e","","","0.71075","MoKα","","","0.0632","","","","0.163","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513506","8.404","0.0002","10.9966","0.0002","11.7955","0.0004","90","","110.235","0.004","90","","1022.81","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 N O2 S -","- C23 H19 N O2 S -","- C46 H38 N2 O4 S2 -","2","1","","Qiao, Baokun; Liu, Xinfei; Duan, Shaobo; Yan, Lin; Jiang, Zhiyong","Highly Enantioselective Organocatalytic α-Sulfenylation of Azlactones.","Organic letters","2014","16","3","672","675","10.1021/ol403303k","","","1.5418","CuKα","","0.0393","0.0365","","","0.0959","0.0987","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513507","9.0174","0.0007","9.9046","0.0009","14.5441","0.0012","90","","97.245","0.007","90","","1288.62","0.19","295.96","0.1","295.96","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","2","","Zhang, Gen; Ma, Yunxia; Cheng, Guangbin; Liu, Dabin; Wang, Rui","A Unique Combined Source of ""CN"" from 1,2-Dichloroethane and TMSN3 in the Copper-Catalyzed Cyanation of a C(sp(3))-H Bond Adjacent to a Nitrogen Atom.","Organic letters","2014","16","3","656","659","10.1021/ol500045p","","","0.7107","MoKα","","0.0884","0.0539","","","0.1158","0.1383","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513508","15.1753","0.0011","8.7875","0.0007","15.7934","0.0012","90","","112.989","0.002","90","","1938.8","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O3 -","- C24 H24 O3 -","- C96 H96 O12 -","4","1","","More, Nagnath Yadav; Jeganmohan, Masilamani","Aerobic Dehydrogenative α-Diarylation of Benzyl Ketones with Aromatics through Carbon-Carbon Bond Cleavage.","Organic letters","2014","16","3","804","807","10.1021/ol500079y","","","0.71073","MoKα","","0.0592","0.0444","","","0.1443","0.1607","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513509","11.5559","0.0016","6.328","0.0009","13.4204","0.0018","90","","96.817","0.003","90","","974.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 Br O4 -","- C21 H19 Br O4 -","- C42 H38 Br2 O8 -","2","1","","Hao, Xiaoyu; Liu, Xiaohua; Li, Wei; Tan, Fei; Chu, Yangyang; Zhao, Xiaohu; Lin, Lili; Feng, Xiaoming","Chiral Lewis acid catalyzed asymmetric cycloadditions of disubstituted ketenes for the synthesis of β-lactones and δ-lactones.","Organic letters","2014","16","1","134","137","10.1021/ol4031217","","","0.71073","MoKα","","0.0596","0.0473","","","0.1255","0.1317","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513510","10.535","0.006","8.839","0.005","11.434","0.006","90","","93.082","0.01","90","","1063.2","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Br N O3 -","- C25 H20 Br N O3 -","- C50 H40 Br2 N2 O6 -","2","1","","Hao, Xiaoyu; Liu, Xiaohua; Li, Wei; Tan, Fei; Chu, Yangyang; Zhao, Xiaohu; Lin, Lili; Feng, Xiaoming","Chiral Lewis acid catalyzed asymmetric cycloadditions of disubstituted ketenes for the synthesis of β-lactones and δ-lactones.","Organic letters","2014","16","1","134","137","10.1021/ol4031217","","","0.71073","MoKα","","0.1135","0.0556","","","0.1408","0.1708","","","","","","0.95","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513511","7.6857","0.0015","15.248","0.003","28.403","0.006","90","","90","","90","","3328.6","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H10 F6 N2 -","- C18 H10 F6 N2 -","- C144 H80 F48 N16 -","8","1","","Gao, Bing; Zhao, Yanchuan; Ni, Chuanfa; Hu, Jinbo","AgF-mediated fluorinative homocoupling of gem-difluoroalkenes.","Organic letters","2014","16","1","102","105","10.1021/ol403083e","","","1.54178","CuKα","","0.0359","0.0337","","","0.0897","0.0915","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513512","15.205","0.012","9.06","0.008","12.052","0.01","90","","95.074","0.018","90","","1654","2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C18 H8 F6 N2 -","- C18 H8 F6 N2 -","- C72 H32 F24 N8 -","4","0.5","","Gao, Bing; Zhao, Yanchuan; Ni, Chuanfa; Hu, Jinbo","AgF-mediated fluorinative homocoupling of gem-difluoroalkenes.","Organic letters","2014","16","1","102","105","10.1021/ol403083e","","","0.71073","MoKα","","0.1109","0.0751","","","0.2232","0.253","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513513","9.122","0.002","16.331","0.004","12.941","0.003","90","","108.021","0.004","90","","1833.3","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H39 N3 O12 -","- C39 H39 N3 O12 -","- C78 H78 N6 O24 -","2","1","","Jana, Poulami; Paikar, Arpita; Bera, Santu; Maity, Suman Kumar; Haldar, Debasish","Porous organic material from discotic tricarboxyamide: side chain-core interactions.","Organic letters","2014","16","1","38","41","10.1021/ol402865t","","","0.71073","MoKα","","0.0918","0.0477","","","0.0939","0.1094","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513514","16.4549","0.0012","16.4549","0.0012","21.286","0.003","90","","90","","120","","4991.3","0.9","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C27 H39 N3 O9 S3 -","- C27 H39 N3 O9 S3 -","- C162 H234 N18 O54 S18 -","6","1","","Jana, Poulami; Paikar, Arpita; Bera, Santu; Maity, Suman Kumar; Haldar, Debasish","Porous organic material from discotic tricarboxyamide: side chain-core interactions.","Organic letters","2014","16","1","38","41","10.1021/ol402865t","","","0.71073","MoKα","","0.169","0.078","","","0.1972","0.2483","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513515","22.1929","0.0006","7.2579","0.0002","16.8448","0.0003","90","","128.526","0.0013","90","","2122.66","0.1","200","","200","","","","","","","","local","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C104 H96 O24 -","8","1","","Lan, Ping; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Chemoenzymatic total synthesis and reassignment of the absolute configuration of ribisin C.","Organic letters","2014","16","1","228","231","10.1021/ol403220t","","","0.71073","MoKα","","0.0476","0.0392","","0.1012","0.0962","0.1012","","","","","","0.9981","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513516","10.2195","0.0005","4.7644","0.0003","13.9604","0.0008","90","","107.933","0.003","90","","646.71","0.06","222","","222","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C28 H28 O10 -","2","1","","Lan, Ping; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Chemoenzymatic total synthesis and reassignment of the absolute configuration of ribisin C.","Organic letters","2014","16","1","228","231","10.1021/ol403220t","","","0.71073","MoKα","","0.0407","0.0383","","0.0967","0.0943","0.0967","","","","","","1.0015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513517","10.1746","0.0008","4.7518","0.0004","13.9532","0.001","90","","107.731","0.004","90","","642.56","0.09","200","","200","","","","","","","","Research School of Chemistry","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C28 H28 O10 -","2","1","","Lan, Ping; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Chemoenzymatic total synthesis and reassignment of the absolute configuration of ribisin C.","Organic letters","2014","16","1","228","231","10.1021/ol403220t","","","0.71073","MoKα","","0.0474","0.0372","","0.1004","0.0923","0.1004","","","","","","1.0113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513518","11.379","0.005","7.083","0.003","15.797","0.007","90","","91.74","0.02","90","","1272.6","1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Qi, Jianguo; Sun, Chenbin; Tian, Yulin; Wang, Xiaojian; Li, Gang; Xiao, Qiong; Yin, Dali","Highly efficient and versatile synthesis of lactams and N-heterocycles via Al(OTf)3-catalyzed cascade cyclization and ionic hydrogenation reactions.","Organic letters","2014","16","1","190","192","10.1021/ol403173x","","","1.54178","CuKα","","0.0613","0.0541","","","0.1457","0.158","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513519","12.9227","0.001","16.4108","0.0012","20.4239","0.0015","90","","92.9","0.001","90","","4325.8","0.6","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Au F3 N3 O3 P S -","- C40 H54 Au F3 N3 O3 P S -","- C160 H216 Au4 F12 N12 O12 P4 S4 -","4","1","","Xi, Yumeng; Wang, Dawei; Ye, Xiaohan; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","Synergistic Au/Ga catalysis in ambient Nakamura reaction.","Organic letters","2014","16","1","306","309","10.1021/ol403337u","","","0.71073","MoKα","","0.0519","0.0349","","","0.0827","0.0919","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513520","8.665","0.005","8.848","0.005","10.375","0.006","74.678","0.012","79.658","0.01","83.356","0.011","752.7","0.7","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C30 H38 N6 O4 -","2","2","","Wu, Kui; Fan, Zhoulong; Xue, Yu; Yao, Qizheng; Zhang, Ao","Rh(III)-catalyzed intermolecular C-H amination of 1-aryl-1H-pyrazol-5(4H)-ones with alkylamines.","Organic letters","2014","16","1","42","45","10.1021/ol402965d","","","0.71073","MoKα","","0.1369","0.1075","","","0.2938","0.3161","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513521","26.2768","0.0009","8.5963","0.0003","20.857","0.0007","90","","104.751","0.002","90","","4556","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 F N3 O4 -","- C28 H20 F N3 O4 -","- C224 H160 F8 N24 O32 -","8","1","","Tréguier, Bret; Roche, Stéphane P","Double annulative cascade of tryptophan-containing peptides triggered by selectfluor.","Organic letters","2014","16","1","278","281","10.1021/ol403281t","","","0.71073","MoKα","","0.0469","0.0401","","","0.1062","0.1124","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513522","13.9551","0.0005","20.5372","0.0008","14.7137","0.0006","90","","118.117","0.001","90","","3719.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H43 Cl Fe Ni O P2 -","- C45 H43 Cl Fe Ni O P2 -","- C180 H172 Cl4 Fe4 Ni4 O4 P8 -","4","1","","Park, Nathaniel H.; Teverovskiy, Georgiy; Buchwald, Stephen L.","Development of an air-stable nickel precatalyst for the amination of aryl chlorides, sulfamates, mesylates, and triflates.","Organic letters","2014","16","1","220","223","10.1021/ol403209k","","","0.71073","MoKα","","0.0357","0.0288","","","0.0709","0.0748","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513523","17.609","0.0003","12.3369","0.0002","17.6426","0.0003","90","","99.8883","0.0013","90","","3775.75","0.11","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 Cl2 Hg2 O4 -","- C40 H46 Cl2 Hg2 O4 -","- C160 H184 Cl8 Hg8 O16 -","4","1","","Flídrová, Karolína; Böhm, Stanislav; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Dimercuration of calix[4]arenes: novel substitution pattern in calixarene chemistry.","Organic letters","2014","16","1","138","141","10.1021/ol403133b","","x-ray","1.5418","CuKα","","0.0492","0.045","","","0.1212","0.1232","","","","2.33","2.33","2.24","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513524","13.64125","0.00016","16.5808","0.0002","18.5708","0.0003","90","","97.8829","0.0012","90","","4160.7","0.1","120","","120","","","","101","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H50 Hg I N O6 -","- C46 H50 Hg I N O6 -","- C184 H200 Hg4 I4 N4 O24 -","4","1","","Flídrová, Karolína; Böhm, Stanislav; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Dimercuration of calix[4]arenes: novel substitution pattern in calixarene chemistry.","Organic letters","2014","16","1","138","141","10.1021/ol403133b","","","1.54184","CuKα","","0.0717","0.0708","","0.1503","0.1503","0.1503","","","","","","1.0167","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513525","13.5818","0.0004","17.169","0.0005","21.3367","0.0006","107.832","0.002","98.237","0.002","109.345","0.003","4299.9","0.3","120","","120","","","","101","","","","","5","P -1","-P 1","2","","","","- C83 H98 Cl10 Hg4 O8 -","- C83 H98 Cl10 Hg4 O8 -","- C166 H196 Cl20 Hg8 O16 -","2","1","","Flídrová, Karolína; Böhm, Stanislav; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Dimercuration of calix[4]arenes: novel substitution pattern in calixarene chemistry.","Organic letters","2014","16","1","138","141","10.1021/ol403133b","","","0.71073","MoKα","","0.0908","0.0552","","0.1734","0.1537","0.1734","","","","","","1.0977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513526","13.3097","0.0003","16.7693","0.0005","21.3618","0.0006","102.48","0.002","106.494","0.002","107.577","0.002","4113.7","0.2","120","","120","","","","101","","","","","5","P -1","-P 1","2","","","","- C41 H48 Cl4 Hg2 O4 -","- C41 H48 Cl4 Hg2 O4 -","- C164 H192 Cl16 Hg8 O16 -","4","2","","Flídrová, Karolína; Böhm, Stanislav; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Dimercuration of calix[4]arenes: novel substitution pattern in calixarene chemistry.","Organic letters","2014","16","1","138","141","10.1021/ol403133b","","","1.54184","CuKα","","0.0563","0.0474","","0.1641","0.1285","0.1641","","","","","","1.0438","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513527","4.379","0.004","8.588","0.008","9.945","0.009","77.22","0.014","82.897","0.015","85.329","0.014","361.4","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H8 N O3 -","- C7 H8 N O3 -","- C14 H16 N2 O6 -","2","1","","Rana, Anup; Panda, Pradeepta K.","β-Octamethoxyporphycenes.","Organic letters","2014","16","1","78","81","10.1021/ol403068j","","","0.71073","MoKα","","0.1153","0.0759","","","0.1682","0.1914","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513528","12.3046","0.0007","10.5352","0.0006","18.0332","0.0014","90","","90.359","0.005","90","","2337.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C104 H112 N8 O16 -","4","1","","Rana, Anup; Panda, Pradeepta K.","β-Octamethoxyporphycenes.","Organic letters","2014","16","1","78","81","10.1021/ol403068j","","","0.71073","MoKα","","0.1878","0.0648","","","0.1048","0.1498","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513529","11.6106","0.0009","9.0413","0.0007","24.953","0.002","90","","90","","90","","2619.4","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N4 O8 Zn -","- C28 H28 N4 O8 Zn -","- C112 H112 N16 O32 Zn4 -","4","0.5","","Rana, Anup; Panda, Pradeepta K.","β-Octamethoxyporphycenes.","Organic letters","2014","16","1","78","81","10.1021/ol403068j","","","0.71073","MoKα","","0.105","0.1037","","","0.1946","0.1953","","","","","","1.367","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513530","13.867","0.002","12.856","0.002","15.535","0.002","90","","90","","90","","2769.5","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H30 N4 O9 -","- C28 H30 N4 O9 -","- C112 H120 N16 O36 -","4","0.5","","Rana, Anup; Panda, Pradeepta K.","β-Octamethoxyporphycenes.","Organic letters","2014","16","1","78","81","10.1021/ol403068j","","","0.71073","MoKα","","0.15","0.0881","","","0.2659","0.3191","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513531","14.1047","0.0006","12.6047","0.0005","15.526","0.0007","90","","90","","90","","2760.3","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N4 O8 Pd -","- C28 H28 N4 O8 Pd -","- C112 H112 N16 O32 Pd4 -","4","0.5","","Rana, Anup; Panda, Pradeepta K.","β-Octamethoxyporphycenes.","Organic letters","2014","16","1","78","81","10.1021/ol403068j","","","0.71073","MoKα","","0.075","0.0354","","","0.0936","0.1086","","","","","","0.914","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513532","7.8564","0.0002","10.2682","0.0003","10.0915","0.0003","90","","103.955","0.001","90","","790.06","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C32 H46 N2 O8 S2 -","2","1","","Brawn, Ryan A.; Zhu, Kaicheng; Panek, James S.","Rhodium(II)-catalyzed alkyne amination of homopropargylic sulfamate esters: stereoselective synthesis of functionalized norcaradienes by arene cyclopropanation.","Organic letters","2014","16","1","74","77","10.1021/ol403035g","","","1.54178","CuKα","","0.0231","0.0231","","","0.0592","0.0592","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513533","12.9248","0.0019","15.416","0.002","39.31","0.006","90","","90","","90","","7832.5","1.9","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C68 H92 N4 O25 S4 -","- C68 H92 N4 O25 S4 -","- C272 H368 N16 O100 S16 -","4","0.5","","Brawn, Ryan A.; Zhu, Kaicheng; Panek, James S.","Rhodium(II)-catalyzed alkyne amination of homopropargylic sulfamate esters: stereoselective synthesis of functionalized norcaradienes by arene cyclopropanation.","Organic letters","2014","16","1","74","77","10.1021/ol403035g","","","1.54178","CuKα","","0.0392","0.0374","","","0.0879","0.0884","","","","","","1.106","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513534","9.1458","0.0002","12.1107","0.0002","19.6005","0.0003","100.663","0.001","99.955","0.001","92.248","0.001","2095.69","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N O P -","- C27 H22 N O P -","- C108 H88 N4 O4 P4 -","4","2","","Zhang, Bo; Daniliuc, Constantin Gabriel; Studer, Armido","6-Phosphorylated phenanthridines from 2-isocyanobiphenyls via radical C-P and C-C bond formation.","Organic letters","2014","16","1","250","253","10.1021/ol403256e","","","0.71073","MoKα","","0.0628","0.0529","","","0.1201","0.1289","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513535","9.563","0.003","9.128","0.003","10.913","0.004","90","","92.657","0.007","90","","951.6","0.6","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","PheBK","ethyl 4-(tert-butoxycarbonylamino)-3-oxo-5-phenylpentanoate","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C36 H50 N2 O10 -","2","1","","Bandyopadhyay, Anupam; Malik, Ankita; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Exploring β-hydroxy γ-amino acids (statines) in the design of hybrid peptide foldamers.","Organic letters","2014","16","1","294","297","10.1021/ol403290h","","x-ray","0.71073","MoKα","","0.1748","0.0799","","","0.2006","0.244","","","","","","1.127","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513536","13.863","0.015","5.14","0.005","13.888","0.016","90","","107.36","0.02","90","","944.5","1.8","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","Boc-gF(b-OH)-OEt","(3R,4S)-ethyl 4-((tert-butoxycarbonyl)amino)-3-hydroxy-5-phenylpentanoate","","- C18 H27 N O5 -","- C18 H27 N O5 -","- C36 H54 N2 O10 -","2","1","","Bandyopadhyay, Anupam; Malik, Ankita; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Exploring β-hydroxy γ-amino acids (statines) in the design of hybrid peptide foldamers.","Organic letters","2014","16","1","294","297","10.1021/ol403290h","","x-ray","0.71073","MoKα","","0.1083","0.0602","","","0.1517","0.1791","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513537","13.6287","0.0014","10.3904","0.001","29.171","0.003","90","","102.281","0.003","90","","4036.3","0.7","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 2 1","P 2y","3","","Boc-U-(S,S)-Phe-U-(S,S)-Phe-OET","","- C37 H57 N4 O10.5 -","- C37 H54 N4 O10.5 -","- C148 H216 N16 O42 -","4","2","","Bandyopadhyay, Anupam; Malik, Ankita; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Exploring β-hydroxy γ-amino acids (statines) in the design of hybrid peptide foldamers.","Organic letters","2014","16","1","294","297","10.1021/ol403290h","","x-ray","0.71073","MoKα","","0.1931","0.0881","","","0.1911","0.2405","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513538","10.544","0.0008","9.6062","0.0008","21.5794","0.0016","90","","100.859","0.002","90","","2146.6","0.3","100","2","100","2","","","101.325","","","","Syntehsis","4","P 1 21 1","P 2yb","4","Tetra hybrid peptide","Boc-U-(R,S)F-U-(R,S)F-OEt","","- C38 H60 N4 O13 -","- C38 H60 N4 O13 -","- C76 H120 N8 O26 -","2","1","","Bandyopadhyay, Anupam; Malik, Ankita; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Exploring β-hydroxy γ-amino acids (statines) in the design of hybrid peptide foldamers.","Organic letters","2014","16","1","294","297","10.1021/ol403290h","","x-ray","0.71073","MoKα","","0.0663","0.0548","","","0.1503","0.1583","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513539","10.62159","0.00013","7.29245","0.0001","19.6083","0.0002","90","","98.1569","0.0011","90","","1503.44","0.03","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 Br O -","- C16 H21 Br O -","- C64 H84 Br4 O4 -","4","2","","Germain, Nicolas; Guénée, Laure; Mauduit, Marc; Alexakis, Alexandre","Asymmetric conjugate addition to α-substituted enones/enolate trapping.","Organic letters","2014","16","1","118","121","10.1021/ol403104s","","","1.54184","CuKα","","0.0274","0.0268","","","0.07","0.0705","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513540","5.7301","0.0005","10.3183","0.0014","13.7835","0.0017","79.233","0.011","87.668","0.008","88.785","0.009","799.86","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 F3 N O3 S -","- C14 H16 F3 N O3 S -","- C28 H32 F6 N2 O6 S2 -","2","1","","He, Yu-Tao; Li, Lian-Hua; Yang, Yan-Fang; Zhou, Zhao-Zhao; Hua, Hui-Liang; Liu, Xue-Yuan; Liang, Yong-Min","Copper-catalyzed intermolecular cyanotrifluoromethylation of alkenes.","Organic letters","2014","16","1","270","273","10.1021/ol403263c","","","0.7107","MoKα","","0.0909","0.0619","","","0.154","0.1829","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513541","4.6665","0.0004","22.797","0.0019","12.8429","0.0011","90","","99.421","0.001","90","","1347.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Br N2 -","- C17 H11 Br N2 -","- C68 H44 Br4 N8 -","4","1","","Rao, Bin; Zeng, Xiaoming","Aminocyanation by the addition of N-CN bonds to arynes: chemoselective synthesis of 1,2-bifunctional aminobenzonitriles.","Organic letters","2014","16","1","314","317","10.1021/ol403346x","","","0.71073","MoKα","","0.0353","0.0291","","","0.0786","0.0815","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513542","17.1427","0.0019","3.9574","0.0004","17.4219","0.0019","90","","108.858","0.001","90","","1118.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C52 H36 Br4 N8 -","4","1","","Rao, Bin; Zeng, Xiaoming","Aminocyanation by the addition of N-CN bonds to arynes: chemoselective synthesis of 1,2-bifunctional aminobenzonitriles.","Organic letters","2014","16","1","314","317","10.1021/ol403346x","","","0.71073","MoKα","","0.0262","0.0229","","","0.0585","0.0599","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513543","8.326","0.007","8.643","0.007","25.63","0.02","81.878","0.007","87.849","0.007","61.655","0.007","1606","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","2","","Xu, Ke; Cheng, Bin; Li, Yun; Xu, Tingting; Yu, Cunming; Zhang, Jun; Ma, Zhiqiang; Zhai, Hongbin","Stereocontrolled total syntheses of (±)-fawcettimine, (±)-lycoflexine, and (±)-lycoflexine N-oxide","Organic Letters","2014","16","1","196","199","10.1021/ol403185g","","","0.71073","MoKα","","0.0836","0.053","","","0.1207","0.1365","","","","","","1.033","","","","has coordinates","218630","2020-10-21","18:00:00",""
"1513544","14.824","0.003","11.994","0.003","17.503","0.004","90","","90.27","0.003","90","","3112","1.2","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N O4 S Si -","- C29 H45 N O4 S Si -","- C116 H180 N4 O16 S4 Si4 -","4","2","","Jiang, Jiu-Long; Yao, Ming; Lu, Chong-Dao","Efficient synthesis of α-quaternary α-hydroxy-β-amino esters via silyl glyoxylate-mediated three-component reactions.","Organic letters","2014","16","1","318","321","10.1021/ol403388w","","","0.71073","MoKα","","0.2318","0.0883","","","0.1645","0.2266","","","","","","0.951","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513545","5.8785","0.0017","18.843","0.005","9.875","0.003","90","","95.496","0.014","90","","1088.8","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H28 Br N O4 S -","- C18 H28 Br N O4 S -","- C36 H56 Br2 N2 O8 S2 -","2","1","","Jiang, Jiu-Long; Yao, Ming; Lu, Chong-Dao","Efficient synthesis of α-quaternary α-hydroxy-β-amino esters via silyl glyoxylate-mediated three-component reactions.","Organic letters","2014","16","1","318","321","10.1021/ol403388w","","","0.71073","MoKα","","0.108","0.0591","","","0.1316","0.1513","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513546","10.2181","0.0009","10.6644","0.001","14.3363","0.0011","98.551","0.007","108.489","0.007","101.04","0.008","1416.9","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H36 O4 -","- C35 H36 O4 -","- C70 H72 O8 -","2","1","","Li, Xiao-Long; Zhao, Bing-Xin; Huang, Xiao-Jun; Zhang, Dong-Mei; Jiang, Ren-Wang; Li, Ying-Jie; Jian, Yu-Qing; Wang, Ying; Li, Yao-Lan; Ye, Wen-Cai","(+)- and (-)-Cajanusine, a pair of new enantiomeric stilbene dimers with a new skeleton from the leaves of Cajanus cajan.","Organic letters","2014","16","1","224","227","10.1021/ol403211a","","","1.54184","CuKα","","0.061","0.0444","","","0.1033","0.1169","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513547","22.5316","0.001","13.8442","0.0005","8.1046","0.0003","90","","107.998","0.002","90","","2404.38","0.17","100","1","100","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H23 O1.5 -","- C14 H23 O1.5 -","- C112 H184 O12 -","8","1","","Altenhofer, Erich; Harmata, Michael","Synthesis of functionalized cyclic boronates.","Organic letters","2014","16","1","3","5","10.1021/ol4029918","","","1.54178","CuKα","","0.0576","0.048","","","0.1153","0.1203","","","","","","1.062","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513548","9.6305","0.0019","11.802","0.002","13.8","0.003","90","","90","","90","","1568.5","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Li, Xin; Lin, Mao-Hui; Han, Yu; Wang, Feng; Cheng, Jin-Pei","Asymmetric Diels-Alder reaction of 3-olefinic benzofuran-2-ones and polyenals: construction of chiral spirocyclic benzofuran-2-ones.","Organic letters","2014","16","1","114","117","10.1021/ol403094a","","","1.54178","CuKα","","0.0531","0.0497","","","0.1012","0.1033","","","","","","1.215","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513549","8.7505","0.0008","9.3028","0.0007","15.4206","0.0013","90","","90","","90","","1255.3","0.18","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","","Li, Xin; Lin, Mao-Hui; Han, Yu; Wang, Feng; Cheng, Jin-Pei","Asymmetric Diels-Alder reaction of 3-olefinic benzofuran-2-ones and polyenals: construction of chiral spirocyclic benzofuran-2-ones.","Organic letters","2014","16","1","114","117","10.1021/ol403094a","","","0.71073","MoKα","","0.0369","0.0366","","","0.096","0.0962","","","","","","1.145","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513550","11.4942","0.0005","18.5575","0.0006","16.2678","0.0008","90","","97.687","0.004","90","","3438.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 F6 O6 Pd2 S2 -","- C34 H30 F6 O6 Pd2 S2 -","- C136 H120 F24 O24 Pd8 S8 -","4","1","","Wang, Binjie; Shen, Chuang; Yao, Jinzhong; Yin, Hong; Zhang, Yuhong","Palladium(II)-catalyzed ortho-olefination of arenes applying sulfoxides as remote directing groups.","Organic letters","2014","16","1","46","49","10.1021/ol402921w","","","0.71073","MoKα","","0.0707","0.0456","","","0.1186","0.1355","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513551","18.1408","0.001","15.6808","0.0006","19.7387","0.001","90","","90","","90","","5614.9","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H26 Cl2 O2 Pd2 S2 -","- C28 H26 Cl2 O2 Pd2 S2 -","- C224 H208 Cl16 O16 Pd16 S16 -","8","1","","Wang, Binjie; Shen, Chuang; Yao, Jinzhong; Yin, Hong; Zhang, Yuhong","Palladium(II)-catalyzed ortho-olefination of arenes applying sulfoxides as remote directing groups.","Organic letters","2014","16","1","46","49","10.1021/ol402921w","","","0.71073","MoKα","","0.0512","0.0331","","","0.066","0.0739","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513552","11.033","0.002","7.4849","0.0013","21.792","0.004","90","","96.722","0.006","90","","1787.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","Li, Wenbo; Zhang, Junliang","Phosphine-mediated regio- and stereoselective hydrocarboxylation of enynes.","Organic letters","2014","16","1","162","165","10.1021/ol4031556","","","0.71073","MoKα","","0.0688","0.0425","","","0.1046","0.1229","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513553","13.273","0.01","5.392","0.004","16.338","0.012","90","","112.857","0.01","90","","1077.5","1.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","Wang, Haining; Dong, Ben; Wang, Yang; Li, Jingfu; Shi, Yian","A palladium-catalyzed regioselective hydroesterification of alkenylphenols to lactones with phenyl formate as CO source.","Organic letters","2014","16","1","186","189","10.1021/ol403171p","","","0.71073","MoKα","","0.0376","0.034","","","0.0894","0.0922","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513554","5.717","0.0011","7.812","0.0016","12.901","0.003","90","","93.75","0.03","90","","574.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C30 H24 O4 -","2","1","","Wang, Haining; Dong, Ben; Wang, Yang; Li, Jingfu; Shi, Yian","A palladium-catalyzed regioselective hydroesterification of alkenylphenols to lactones with phenyl formate as CO source.","Organic letters","2014","16","1","186","189","10.1021/ol403171p","","","0.71073","MoKα","","0.0651","0.0471","","","0.106","0.115","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513555","7.8959","0.0011","13.193","0.0018","25.493","0.004","90","","90","","90","","2655.6","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cl2 O -","- C16 H10 Cl2 O -","- C128 H80 Cl16 O8 -","8","1","","Yuan, Weiming; Ma, Shengming","Benzofuran derivatives from alkynyl-substituted benzynes and aryl halides.","Organic letters","2014","16","1","193","195","10.1021/ol4032254","","","0.71073","MoKα","","0.0436","0.0396","","","0.1022","0.1062","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513556","9.4516","0.0019","10.17","0.002","15.38","0.003","82.35","0.03","81.34","0.03","66.75","0.03","1338.4","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","2","","Su, Qing; Li, Pei; He, Mina; Wu, Qiaolin; Ye, Ling; Mu, Ying","Facile synthesis of acridine derivatives by ZnCl2-promoted intramolecular cyclization of o-arylaminophenyl Schiff bases.","Organic letters","2014","16","1","18","21","10.1021/ol402732n","","","0.71073","MoKα","","0.0829","0.0491","","","0.1403","0.161","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513557","26.139","0.005","4.8057","0.001","11.615","0.002","90","","108.86","0.03","90","","1380.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Cl2 N2 Zn -","- C12 H14 Cl2 N2 Zn -","- C48 H56 Cl8 N8 Zn4 -","4","0.5","","Su, Qing; Li, Pei; He, Mina; Wu, Qiaolin; Ye, Ling; Mu, Ying","Facile synthesis of acridine derivatives by ZnCl2-promoted intramolecular cyclization of o-arylaminophenyl Schiff bases.","Organic letters","2014","16","1","18","21","10.1021/ol402732n","","","0.71073","MoKα","","0.0318","0.0262","","","0.0571","0.0591","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513558","19.2525","0.0015","26.897","0.002","16.0354","0.0011","90","","90","","90","","8303.7","1.1","170","2","170","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C74 H83 F6 N7 O15 P -","- C66 H66 F6 N6 O14 P -","- C264 H264 F24 N24 O56 P4 -","4","0.5","","Wei, Peifa; Li, Jinying; Yan, Xuzhou; Zhou, Qizhong","Metallosupramolecular poly[2]pseudorotaxane constructed by metal coordination and crown-ether-based molecular recognition.","Organic letters","2014","16","1","126","129","10.1021/ol403111e","","","0.71073","MoKα","","0.0854","0.0592","","","0.1827","0.1988","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513559","12.1292","0.0005","12.9727","0.0005","15.079","0.0006","88.779","0.003","87.358","0.003","82.905","0.003","2351.69","0.16","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H91 F12 N8 O14.5 P2 -","- C82 H78 F12 N6 O14 P2 -","- C82 H78 F12 N6 O14 P2 -","1","0.5","","Wei, Peifa; Li, Jinying; Yan, Xuzhou; Zhou, Qizhong","Metallosupramolecular poly[2]pseudorotaxane constructed by metal coordination and crown-ether-based molecular recognition.","Organic letters","2014","16","1","126","129","10.1021/ol403111e","","","0.71073","MoKα","","0.1819","0.143","","","0.409","0.4389","","","","","","1.608","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513560","10.6749","0.0013","15.0601","0.0014","12.3997","0.0014","90","0.0011","108.478","0.0013","90","0.0011","1890.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TIPSNDT3Q","TIPSNDT3Q","","- C38 H46 N4 S2 Si2 -","- C38 H46 N4 S2 Si2 -","- C76 H92 N8 S4 Si4 -","2","0.5","","Yanai, Naoyuki; Mori, Takamichi; Shinamura, Shoji; Osaka, Itaru; Takimiya, Kazuo","Dithiophene-Fused Tetracyanonaphthoquinodimethanes (DT-TNAPs): synthesis and characterization of π-extended quinoidal compounds for n-channel organic semiconductor.","Organic letters","2014","16","1","240","243","10.1021/ol403234q","","","0.7107","MoKα","","0.0623","0.0482","","","0.1319","0.1438","","","","","","0.936","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513561","10.561","0.003","14.952","0.004","12.363","0.004","90","","107.937","0.004","90","","1857.3","0.9","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TIPSNDT3Q2","TIPSNDT3Q2","","- C38 H46 N4 S2 Si2 -","- C38 H46 N4 S2 Si2 -","- C76 H92 N8 S4 Si4 -","2","0.5","","Yanai, Naoyuki; Mori, Takamichi; Shinamura, Shoji; Osaka, Itaru; Takimiya, Kazuo","Dithiophene-Fused Tetracyanonaphthoquinodimethanes (DT-TNAPs): synthesis and characterization of π-extended quinoidal compounds for n-channel organic semiconductor.","Organic letters","2014","16","1","240","243","10.1021/ol403234q","","","0.71073","MoKα","","0.0636","0.0452","","","0.1082","0.1198","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513562","9.5712","0.0008","11.3652","0.0009","18.3894","0.0013","72.646","0.007","84.919","0.007","72.923","0.007","1825.1","0.3","294.5","0.6","294.5","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C72 H108 O24 -","6","3","","Pan, Zhiqiang; Zheng, Cunying; Wang, Hongyu; Chen, Yanhe; Li, Yun; Cheng, Bin; Zhai, Hongbin","Total synthesis of (±)-sculponeatin N.","Organic letters","2014","16","1","216","219","10.1021/ol403208g","","","1.5418","CuKα","","0.0896","0.0772","","","0.2633","0.3268","","","","","","1.427","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513563","18.279","0.0011","6.5834","0.0003","15.098","0.0007","90","","96.08","0.005","90","","1806.64","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Pan, Zhiqiang; Zheng, Cunying; Wang, Hongyu; Chen, Yanhe; Li, Yun; Cheng, Bin; Zhai, Hongbin","Total synthesis of (±)-sculponeatin N.","Organic letters","2014","16","1","216","219","10.1021/ol403208g","","","0.7107","MoKα","","0.0888","0.063","","","0.1578","0.173","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513564","7.0862","0.0004","24.1874","0.0017","20.3324","0.0013","90","","94.376","0.006","90","","3474.7","0.4","294.7","0.3","294.7","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H27.5 O4 -","- C20 H27.5 O4 -","- C160 H220 O32 -","8","2","","Pan, Zhiqiang; Zheng, Cunying; Wang, Hongyu; Chen, Yanhe; Li, Yun; Cheng, Bin; Zhai, Hongbin","Total synthesis of (±)-sculponeatin N.","Organic letters","2014","16","1","216","219","10.1021/ol403208g","","","0.71073","MoKα","","0.1554","0.0899","","","0.2304","0.2895","","","","","","1.025","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513565","8.4671","0.0007","11.9089","0.0011","12.8735","0.0011","70.766","0.008","75.194","0.008","77.187","0.008","1171.4","0.19","295.08","0.1","295.08","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H36 O4 Si -","- C23 H36 O4 Si -","- C46 H72 O8 Si2 -","2","1","","Pan, Zhiqiang; Zheng, Cunying; Wang, Hongyu; Chen, Yanhe; Li, Yun; Cheng, Bin; Zhai, Hongbin","Total synthesis of (±)-sculponeatin N.","Organic letters","2014","16","1","216","219","10.1021/ol403208g","","","0.7107","MoKα","","0.1298","0.0761","","","0.2335","0.3166","","","","","","0.962","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513566","11.0104","0.0003","10.0398","0.0002","18.604","0.0004","90","","97.32","0.002","90","","2039.77","0.08","10","","10","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","2","","Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude","Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole","IUCrJ","2014","1","2","110","118","10.1107/S2052252514002838","","","0.71073","MoKα","","0.0322","0.0321","","","0.0284","0.0284","","","","","","0.901","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1513567","10.978","0.001","10.006","0.001","18.488","0.002","90","","97.223","0.004","90","","2014.7","0.3","35","","35","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","2","","Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude","Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole","IUCrJ","2014","1","2","110","118","10.1107/S2052252514002838","","","0.71073","MoKα","","0.0291","0.0257","","","0.0281","0.0281","","","","","","0.922","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513568","11.047","0.001","10.129","0.001","18.652","0.002","90","","97.223","0.003","90","","2070.5","0.4","70","","70","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","2","","Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude","Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole","IUCrJ","2014","1","2","110","118","10.1107/S2052252514002838","","","0.71073","MoKα","","0.0288","0.0288","","","0.0282","0.0282","","","","","","0.945","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513569","8.7711","0.0006","10.0113","0.001","12.0057","0.0009","67.978","0.008","78.03","0.006","69.224","0.008","910.38","0.15","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","1","0.5","","Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.","Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters","IUCrJ","2014","1","1","8","18","10.1107/S2052252513024421","","x-ray","0.71073","MoKα","","0.0445","0.0392","","","0.0983","0.1021","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513570","9.2233","0.0003","36.2938","0.0012","16.5853","0.0005","90","","97.827","0.003","90","","5500.2","0.3","120","","120","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C264 H240 N36 O24 -","6","1.5","","Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.","Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters","IUCrJ","2014","1","1","8","18","10.1107/S2052252513024421","","x-ray","0.71073","MoKα","","0.1052","0.0672","","","0.1407","0.1642","","","","","","1.034","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1513572","9.0828","0.0003","12.3446","0.0004","16.6095","0.0004","90","","96.32","0.002","90","","1851","0.1","160","","160","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C88 H80 N12 O8 -","2","0.5","","Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.","Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters","IUCrJ","2014","1","1","8","18","10.1107/S2052252513024421","","x-ray","0.71073","MoKα","","0.0737","0.0524","","","0.1348","0.1487","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513573","9.118","0.0003","12.3427","0.0004","16.64","0.0004","90","","96.381","0.003","90","","1861.08","0.1","200","","200","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C88 H80 N12 O8 -","2","0.5","","Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.","Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters","IUCrJ","2014","1","1","8","18","10.1107/S2052252513024421","","x-ray","0.71073","MoKα","","0.0854","0.0582","","","0.1489","0.1677","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513574","9.1938","0.0004","12.3828","0.0006","16.7311","0.0008","90","","96.358","0.004","90","","1893.04","0.15","296","","296","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C88 H80 N12 O8 -","2","0.5","","Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.","Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters","IUCrJ","2014","1","1","8","18","10.1107/S2052252513024421","","x-ray","0.71073","MoKα","","0.1068","0.0647","","","0.182","0.2202","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513575","9.2118","0.0002","36.2075","0.0007","16.5458","0.0004","90","","97.923","0.002","90","","5465.9","0.2","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C264 H240 N36 O24 -","6","1.5","","Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.","Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters","IUCrJ","2014","1","1","8","18","10.1107/S2052252513024421","","x-ray","0.71073","MoKα","","0.0715","0.0503","","","0.1105","0.1214","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513576","17.8201","0.0005","8.3288","0.0002","39.3222","0.0009","90","","91.901","0.002","90","","5833","0.3","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C272 H256 N32 O32 -","16","4","","Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.","Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters","IUCrJ","2014","1","1","8","18","10.1107/S2052252513024421","","x-ray","0.71073","MoKα","","0.1131","0.0731","","","0.1349","0.1516","","","","","","1.079","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513577","26.127","0.009","26.127","0.009","3.7926","0.0009","90","","90","","90","","2588.9","1.4","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","3,4-dichlorophenol","","","- C6 H4 Cl2 O -","- C6 H4 Cl2 O -","- C96 H64 Cl32 O16 -","16","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0544","0.0409","","","0.0896","0.0956","","","","","","1.076","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00",""
"1513578","26.186","0.008","26.186","0.008","3.8144","0.0008","90","","90","","90","","2615.6","1.3","200","2","200","2","","","","","","","","4","I 41/a :2","-I 4ad","88","3,4-dichlorophenol","","","- C6 H4 Cl2 O -","- C6 H4 Cl2 O -","- C96 H64 Cl32 O16 -","16","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0583","0.0416","","","0.0991","0.1072","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513579","26.251","0.01","26.251","0.01","3.8524","0.0011","90","","90","","90","","2654.7","1.6","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","3,4-dichlorophenol","","","- C6 H4 Cl2 O -","- C6 H4 Cl2 O -","- C96 H64 Cl32 O16 -","16","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0902","0.0504","","","0.1186","0.1402","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513580","26.419","0.005","26.419","0.005","3.8824","0.0006","90","","90","","90","","2709.8","0.8","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","4-bromo-3-chlorophenol","","","- C6 H4 Br Cl O -","- C6 H4 Br Cl O -","- C96 H64 Br16 Cl16 O16 -","16","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0423","0.0319","","","0.0596","0.0623","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513581","26.465","0.005","26.465","0.005","3.9017","0.0006","90","","90","","90","","2732.7","0.8","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","4-bromo-3-chlorophenol","","","- C6 H4 Br Cl O -","- C6 H4 Br Cl O -","- C96 H64 Br16 Cl16 O16 -","16","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0481","0.0342","","","0.0671","0.071","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513582","26.65","0.03","26.65","0.03","3.965","0.003","90","","90","","90","","2816","5","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","4-bromo-3-chlorophenol","","","- C6 H4 Br Cl O -","- C6 H4 Br Cl O -","- C96 H64 Br16 Cl16 O16 -","16","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0755","0.0407","","","0.0727","0.0828","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513583","11.457","0.003","4.1113","0.0009","15.233","0.004","90","","108.905","0.008","90","","678.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-bromo-4-chlorophenol","","","- C6 H4 Br Cl O -","- C6 H4 Br Cl O -","- C24 H16 Br4 Cl4 O4 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.046","0.036","","","0.0842","0.0891","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513584","11.222","0.018","4.263","0.007","15.81","0.03","90","","106.933","0.019","90","","724","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-chloro-3-iodophenol","","","- C6 H4 Cl I O -","- C6 H4 Cl I O -","- C24 H16 Cl4 I4 O4 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0363","0.0305","","","0.075","0.1095","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513585","11.242","0.018","4.286","0.007","15.87","0.02","90","","107.016","0.018","90","","731.2","1.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-chloro-3-iodophenol","","","- C6 H4 Cl I O -","- C6 H4 Cl I O -","- C24 H16 Cl4 I4 O4 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0403","0.0333","","","0.0819","0.1126","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513586","11.26","0.02","4.321","0.008","15.88","0.03","90","","106.74","0.02","90","","740","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-chloro-3-iodophenol","","","- C6 H4 Cl I O -","- C6 H4 Cl I O -","- C24 H16 Cl4 I4 O4 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0487","0.0385","","","0.0969","0.1238","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513587","11.169","0.002","4.2067","0.0008","14.911","0.003","90","","91.07","0.006","90","","700.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5-dibromophenol","","","- C6 H4 Br2 O -","- C6 H4 Br2 O -","- C24 H16 Br8 O4 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0707","0.0479","","","0.0973","0.1039","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513588","4.9531","0.0014","24.02","0.006","8.007","0.003","90","","118.88","0.02","90","","834.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3,5-trichlorosalicylic acid","","","- C7 H3 Cl3 O3 -","- C7 H3 Cl3 O3 -","- C28 H12 Cl12 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0501","0.0468","","","0.1336","0.1452","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513589","4.9712","0.0014","24.094","0.005","8.0459","0.0019","90","","118.884","0.015","90","","843.8","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3,5-trichlorosalicylic acid","","","- C7 H3 Cl3 O3 -","- C7 H3 Cl3 O3 -","- C28 H12 Cl12 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0498","0.0457","","","0.1261","0.1394","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513590","4.979","0.0011","24.298","0.006","8.0971","0.0017","90","","119.108","0.012","90","","855.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3,5-trichlorosalicylic acid","","","- C7 H3 Cl3 O3 -","- C7 H3 Cl3 O3 -","- C28 H12 Cl12 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0526","0.0464","","","0.1299","0.1464","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513591","3.8017","0.0008","6.1607","0.0012","14.208","0.003","92.417","0.007","94.718","0.007","92.286","0.007","331.03","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","4-chlorobenzoic acid","","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0385","0.0347","","","0.0957","0.0977","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513592","3.8208","0.0007","6.1785","0.0012","14.209","0.003","92.591","0.007","94.866","0.007","91.978","0.007","333.63","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","4-chlorobenzoic acid","","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0424","0.0369","","","0.0963","0.0997","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513593","3.8686","0.0013","6.227","0.002","14.243","0.005","92.794","0.007","95.149","0.007","91.493","0.006","341.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","4-chlorobenzoic acid","","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C14 H10 Cl2 O4 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen bonds in some dihalogenated phenols: applications to crystal engineering","IUCrJ","2014","1","1","49","60","10.1107/S2052252513025657","","","0.71073","MoKα","","0.0464","0.0386","","","0.1002","0.1058","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513594","12.647","0.0007","13.1997","0.0007","17.9323","0.0009","94.961","0.002","98.899","0.002","106.745","0.002","2804.8","0.3","200","1","200","1","","","","","","","","7","P -1","-P 1","2","","","","- C100 H79 F12 N13 O19 Pd2 S4 -","- C100 H79 F12 N13 O19 Pd2 S4 -","- C100 H79 F12 N13 O19 Pd2 S4 -","1","0.5","","Desmarets, Christophe; Ducarre, Thierry; Rager, Marie; Gontard, Geoffrey; Amouri, Hani","Self-Assembled M2L4 Nanocapsules: Synthesis, Structure and Host-Guest Recognition Toward Square Planar Metal Complexes","Materials","2014","7","1","287","","10.3390/ma7010287","","","0.71073","MoKα","","0.0792","0.0578","","","0.1674","0.1823","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513595","23.0762","0.0015","12.6124","0.0006","17.5274","0.0013","90","","116.601","0.001","90","","4561.3","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Cd2 Cl2 N12 O10 -","- C38 H34 Cd2 Cl2 N12 O10 -","- C152 H136 Cd8 Cl8 N48 O40 -","4","0.5","","Jana, Atanu; Sukul, Pradip K.; Mandal, Sushil K.; Konar, Saugata; Ray, Sangita; Das, Kinsuk; Golen, James A.; Rheingold, Arnold L.; Mondal, Sudipa; Mondal, Tapan K.; Khuda-Bukhsh, Anisur R; Kar, Susanta K.","A novel 2,6-diformyl-4-methylphenol based chemosensor for Zn(II) ions by ratiometric displacement of Cd(II) ions and its application for cell imaging on human melanoma cancer cells.","The Analyst","2014","139","2","495","504","10.1039/c3an01750h","","","0.71073","MoKα","","0.0341","0.0237","","","0.0581","0.0627","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513596","8.9413","0.0006","15.7005","0.001","17.7436","0.0011","90","","90","","90","","2490.9","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 F6 Fe N4 O6 S2 -","- C17 H26 F6 Fe N4 O6 S2 -","- C68 H104 F24 Fe4 N16 O24 S8 -","4","1","","Spannring, Peter; Prat, Irene; Costas, Miquel; Lutz, Martin; Bruijnincx, Pieter C. A.; Weckhuysen, Bert. M.; Klein Gebbink, Robertus J. M.","Fe(6-Me-PyTACN)-catalyzed, one-pot oxidative cleavage of methyl oleate and oleic acid into carboxylic acids with H2O2 and NaIO4","Catalysis Science & Technology","2014","4","3","708","","10.1039/c3cy00851g","","","0.71073","MoKα","","0.029","0.025","","","0.0559","0.0576","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513597","8.964","0.004","9.189","0.004","11.432","0.005","69.34","0.02","89.43","0.02","80.99","0.02","869.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N4 O5 -","- C16.5 H14 N4 O5 -","- C33 H28 N8 O10 -","2","1","","Pradhan, Koyel; Paul, Sanjay; Das, Asish R.","Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media","Catalysis Science & Technology","2014","4","3","822","","10.1039/c3cy00901g","","","0.71073","MoKα","","0.1578","0.0986","","","0.2769","0.3321","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513598","7.8507","0.0019","8.48","0.002","15.77","0.004","96.715","0.008","90.412","0.009","109.096","0.008","984.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N2 O7 -","- C20 H18 N2 O7 -","- C40 H36 N4 O14 -","2","1","","Pradhan, Koyel; Paul, Sanjay; Das, Asish R.","Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media","Catalysis Science & Technology","2014","4","3","822","","10.1039/c3cy00901g","","","0.71073","MoKα","","0.1119","0.0758","","","0.2079","0.2487","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513599","8.549","0.005","11.18","0.005","12.73","0.005","91.165","0.005","104.363","0.005","110.189","0.005","1098.7","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O7 -","- C22 H22 N4 O7 -","- C44 H44 N8 O14 -","2","1","","Pradhan, Koyel; Paul, Sanjay; Das, Asish R.","Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media","Catalysis Science & Technology","2014","4","3","822","","10.1039/c3cy00901g","","","0.71073","MoKα","","0.1002","0.0699","","","0.1858","0.2153","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513600","9.3603","0.001","17.4152","0.0019","18.206","0.002","90","","90","","90","","2967.8","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 F6 Mn N4 O7 S2 -","- C22 H30 F6 Mn N4 O7 S2 -","- C88 H120 F24 Mn4 N16 O28 S8 -","4","1","","Maity, Nabin Ch.; Kumar Bera, Prasanta; Ghosh, Debashis; Abdi, Sayed H. R.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Bajaj, Hari C.; Suresh, E.","Manganese complexes with non-porphyrin N4 ligands as recyclable catalyst for the asymmetric epoxidation of olefins","Catalysis Science & Technology","2014","4","1","208","","10.1039/c3cy00528c","","","0.71073","MoKα","","0.0896","0.0814","","","0.1632","0.1661","","","","","","1.294","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513601","9.3527","0.0019","17.384","0.003","18.184","0.004","90","","90","","90","","2956.5","1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 F6 Mn N4 O7 S2 -","- C22 H30 F6 Mn N4 O7 S2 -","- C88 H120 F24 Mn4 N16 O28 S8 -","4","1","","Maity, Nabin Ch.; Kumar Bera, Prasanta; Ghosh, Debashis; Abdi, Sayed H. R.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Bajaj, Hari C.; Suresh, E.","Manganese complexes with non-porphyrin N4 ligands as recyclable catalyst for the asymmetric epoxidation of olefins","Catalysis Science & Technology","2014","4","1","208","","10.1039/c3cy00528c","","","0.71073","MoKα","","0.0843","0.0777","","","0.1693","0.1728","","","","","","1.234","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513602","10.2529","0.0012","12.602","0.0015","16.39","0.002","73.082","0.002","87.303","0.002","89.419","0.002","2023.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H65 Cl N2 O3 Rh Si -","- C38.04 H57.517 Cl N2 O3 Rh Si -","- C76.08 H115.034 Cl2 N4 O6 Rh2 Si2 -","2","1","","Lázaro, Guillermo; Fernández-Alvarez, Francisco J.; Iglesias, Manuel; Horna, Cristina; Vispe, Eugenio; Sancho, Rodrigo; Lahoz, Fernando J.; Iglesias, Marta; Pérez-Torrente, Jesús J.; Oro, Luis A.","Heterogeneous catalysts based on supported Rh‒NHC complexes: synthesis of high molecular weight poly(silyl ether)s by catalytic hydrosilylation","Catalysis Science & Technology","2014","4","1","62","","10.1039/c3cy00598d","","","0.71073","MoKα","","0.0772","0.0545","","","0.1325","0.146","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513603","11.754","0.003","28.117","0.004","30.475","0.005","84.09","0.03","84.78","0.03","87.29","0.03","9969","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cl4 Fe2 N8 O23 -","- C36 H42 Cl4 Fe2 N8 O23 -","- C288 H336 Cl32 Fe16 N64 O184 -","8","4","","Najafpour, Mohammad Mahdi; Moghaddam, Atefeh Nemati; Sedigh, Davood Jafarian; Hołyńska, Małgorzata","A dinuclear iron complex with a single oxo bridge as an efficient water-oxidizing catalyst in the presence of cerium(iv) ammonium nitrate: new findings and current controversies","Catalysis Science & Technology","2014","4","1","30","","10.1039/c3cy00644a","","","0.71073","MoKα","","0.1393","0.0401","","","0.0605","0.0711","","","","","","0.607","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513604","19.3405","0.0008","11.3692","0.0003","25.8709","0.0008","90","","90","","90","","5688.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H22 Cl3 N6 O6 Ru -","- C27 H22 Cl3 N6 O6 Ru -","- C216 H176 Cl24 N48 O48 Ru8 -","8","1","","Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier","Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts","Catalysis Science & Technology","2014","4","1","190","","10.1039/c3cy00643c","","","0.71073","MoKα","","0.0752","0.0433","","","0.0905","0.1038","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513605","26.0256","0.0014","52.12","0.003","28.8286","0.0014","90","","91.92","0.002","90","","39083","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C268 H204 Cl4 F96 N48 P16 Ru8 -","- C268 H204 Cl4 F96 N48 P16 Ru8 -","- C1072 H816 Cl16 F384 N192 P64 Ru32 -","4","1","","Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier","Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts","Catalysis Science & Technology","2014","4","1","190","","10.1039/c3cy00643c","","","0.71073","MoKα","","0.1179","0.0743","","","0.1663","0.1816","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513606","34.2658","0.0014","34.2658","0.0014","21.8681","0.0014","90","","90","","120","","22236.3","1.9","173","","173","","","","","","","","","5","P 65","P 65","170","","","","- C126 H84 La3 N3 O21 -","- C126 H84 La3 N3 O21 -","- C756 H504 La18 N18 O126 -","6","1","","Duan, Jingui; Higuchi, Masakazu; Krishna, Rajamani; Kiyonaga, Tomokazu; Tsutsumi, Yosuke; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu","High CO2/N2/O2/CO separation in a chemically robust porous coordination polymer with low binding energy","Chemical Science","2014","5","2","660","","10.1039/c3sc52177j","","","0.71075","MoKα","","","0.0905","","","","0.2573","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513607","11.6097","0.0008","13.0379","0.0009","17.3875","0.0012","68.361","0.004","72.03","0.004","64.875","0.004","2178.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","MesDPBPhHNiSiH2Ph","","","- C26.5 H26 B0.5 Ni0.5 O0.25 P Si0.5 -","- C26.5 H26 B0.5 Ni0.5 O0.25 P Si0.5 -","- C106 H104 B2 Ni2 O P4 Si2 -","4","2","","MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C.","Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex","Chemical Science","2014","5","2","590","","10.1039/c3sc52626g","","x-ray","0.71073","MoKα","","0.0467","0.0358","","","0.0831","0.0904","","","","","","1.036","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513608","12.1452","0.0006","20.3316","0.001","21.4335","0.0011","69.986","0.003","77.017","0.003","82.18","0.003","4835.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MesDPBPhHNiSiHPh2","","","- C60 H54 B Ni P2 Si -","- C60 H54 B Ni P2 Si -","- C240 H216 B4 Ni4 P8 Si4 -","4","2","","MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C.","Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex","Chemical Science","2014","5","2","590","","10.1039/c3sc52626g","","x-ray","0.71073","MoKα","","0.0686","0.0442","","","0.1065","0.1192","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513609","12.9166","0.0008","15.2418","0.0009","22.8933","0.0015","90","","105.256","0.003","90","","4348.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MesDPBPhNiCHOC6H5","","","- C55.5 H45 B Ni O P2 -","- C55.5 H45 B Ni O P2 -","- C222 H180 B4 Ni4 O4 P8 -","4","1","","MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C.","Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex","Chemical Science","2014","5","2","590","","10.1039/c3sc52626g","","x-ray","0.71073","MoKα","","0.071","0.0385","","","0.0935","0.1058","","","","","","1.025","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513610","18.1014","0.0009","17.6622","0.0009","22.4297","0.0013","90","","91.229","0.006","90","","7169.4","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H98 N12 S Si6 U2 -","- C67 H98 N12 S Si6 U2 -","- C268 H392 N48 S4 Si24 U8 -","4","1","","Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella","Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex","Chemical Science","2014","5","2","841","","10.1039/c3sc52742e","","","0.71073","MoKα","","0.1668","0.1092","","","0.2646","0.3128","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513611","18.1375","0.0003","17.5716","0.0004","22.6446","0.0005","90","","90.9355","0.0019","90","","7216","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H98 N12 Se Si6 U2 -","- C67 H98 N12 Se Si6 U2 -","- C268 H392 N48 Se4 Si24 U8 -","4","1","","Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella","Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex","Chemical Science","2014","5","2","841","","10.1039/c3sc52742e","","","0.71073","MoKα","","0.0958","0.047","","","0.0629","0.0742","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513612","22.725","0.004","19.812","0.0007","30.101","0.005","90","","145.19","0.04","90","","7736","8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35.25 H51 N6 S2 Si3 U -","- C35.25 H51 N6 S2 Si3 U -","- C282 H408 N48 S16 Si24 U8 -","8","2","","Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella","Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex","Chemical Science","2014","5","2","841","","10.1039/c3sc52742e","","","0.71073","MoKα","","0.1129","0.0728","","","0.1718","0.1945","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513613","14.1895","0.0009","12.4113","0.0005","20.2745","0.001","90","","108.259","0.006","90","","3390.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H90 N12 S2 Si6 U2 -","- C60 H90 N12 S2 Si6 U2 -","- C120 H180 N24 S4 Si12 U4 -","2","0.5","","Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella","Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex","Chemical Science","2014","5","2","841","","10.1039/c3sc52742e","","","0.71073","MoKα","","0.101","0.0706","","","0.1627","0.182","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513614","10.5247","0.0003","18.506","0.0005","17.3041","0.0006","90","","91.612","0.003","90","","3368.99","0.18","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 N6 Na O Si3 U -","- C30 H45 N6 Na O Si3 U -","- C120 H180 N24 Na4 O4 Si12 U4 -","4","1","","Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella","Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex","Chemical Science","2014","5","2","841","","10.1039/c3sc52742e","","","0.71073","MoKα","","0.0959","0.0496","","","0.0799","0.0925","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513615","12.8807","0.0005","26.5173","0.0009","16.1073","0.0006","90","","105.997","0.004","90","","5288.6","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H45 K Mg N2 -","- C22 H45 K Mg N2 -","- C132 H270 K6 Mg6 N12 -","6","3","","Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T.","Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation","Chemical Science","2014","5","2","771","","10.1039/c3sc52816b","","","1.5418","CuKα","","0.0729","0.0468","","","0.0923","0.0975","","","","","","0.805","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513616","25.779","0.003","25.754","0.003","16.135","0.002","90","","94.132","0.011","90","","10684","2","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C88 H180 K4 Mg4 N8 -","- C88 H180 K4 Mg4 N8 -","- C352 H720 K16 Mg16 N32 -","4","1","","Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T.","Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation","Chemical Science","2014","5","2","771","","10.1039/c3sc52816b","","","1.5418","CuKα","","0.1576","0.1495","","","0.3941","0.4047","","","","","","1.718","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513617","37.852","0.002","37.852","0.002","11.585","0.0006","90","","90","","120","","14374.9","1.3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C168 H342 K6 Mg6 N12 -","- C168.024 H342 K6 Mg6 N12 -","- C504.072 H1026 K18 Mg18 N36 -","3","0.166667","","Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T.","Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation","Chemical Science","2014","5","2","771","","10.1039/c3sc52816b","","","0.71073","MoKα","","0.1005","0.0621","","","0.1475","0.1734","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513618","37.8751","0.0015","37.8751","0.0015","11.7865","0.0004","90","","90","","120","","14642.8","1","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C189 H282 K6 Mg6 N12 -","- C189.3 H282 K6 Mg6 N12 -","- C567.9 H846 K18 Mg18 N36 -","3","0.166667","","Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T.","Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation","Chemical Science","2014","5","2","771","","10.1039/c3sc52816b","","","1.5418","CuKα","","0.0991","0.0842","","","0.243","0.2627","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513619","16.9437","0.0006","16.1245","0.0005","23.5059","0.0008","90","","90","","90","","6422","0.4","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C62 H106 Mg2 N6 Na4 -","- C62 H106 Mg2 N6 Na4 -","- C248 H424 Mg8 N24 Na16 -","4","1","","Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T.","Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation","Chemical Science","2014","5","2","771","","10.1039/c3sc52816b","","","1.54184","CuKα","","0.0903","0.0575","","","0.1371","0.1523","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513620","6.9434","0.0014","18.717","0.004","9.893","0.002","90","","95.19","0.002","90","","1280.4","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N4 -","- C14 H18 N4 -","- C56 H72 N16 -","4","1","","Huh, Chan Woo; Aubé, Jeffrey","Aryl nitrenium ions from N-alkyl-N-arylamino-diazonium precursors: synthesis and reactivity","Chemical Science","2014","5","2","699","","10.1039/c3sc52805g","","","0.71073","MoKα","","0.0574","0.0538","","","0.1475","0.1503","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513621","10.677","0.003","12.392","0.003","18.636","0.004","90","","90.104","0.005","90","","2465.7","1.1","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","1, jonyj09","","","- C18 H31 B Cl2 N6 O3 P Rh -","- C18 H31 B Cl2 N6 O3 P Rh -","- C72 H124 B4 Cl8 N24 O12 P4 Rh4 -","4","1","","Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","Synthesis and energetics of Tp′Rh[P(OMe)3](R)H: a systematic investigation of ligand effects on C‒H activation at rhodium","Chemical Science","2014","5","2","804","","10.1039/c3sc52748d","","","0.71073","MoKα","","0.0622","0.0445","","","0.0836","0.0894","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513622","19.0753","0.0011","8.1941","0.0005","33.2922","0.0019","90","","105.977","0.001","90","","5002.7","0.5","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","3, jonyj11","","","- C19 H34 B Cl N6 O3 P Rh -","- C19 H34 B Cl N6 O3 P Rh -","- C152 H272 B8 Cl8 N48 O24 P8 Rh8 -","8","2","","Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","Synthesis and energetics of Tp′Rh[P(OMe)3](R)H: a systematic investigation of ligand effects on C‒H activation at rhodium","Chemical Science","2014","5","2","804","","10.1039/c3sc52748d","","","0.71073","MoKα","","0.1015","0.0614","","","0.1272","0.1446","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513623","10.165","0.0002","15.515","0.0004","18.2424","0.0004","90","","91.134","0.002","90","","2876.44","0.11","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cl2 N2 Th -","- C32 H36 Cl2 N2 Th -","- C128 H144 Cl8 N8 Th4 -","4","1","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","0.71073","MoKα","","0.0264","0.0206","","","0.0374","0.0389","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513624","10.6471","0.0001","22.5946","0.0002","12.5757","0.0001","90","","95.444","0.001","90","","3011.65","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 I2 N2 U -","- C32 H36 I2 N2 U -","- C128 H144 I8 N8 U4 -","4","1","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","1.54184","CuKα","","0.039","0.034","","","0.0924","0.1","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513625","10.5523","0.0002","18.0034","0.0005","23.5696","0.0007","90","","98.237","0.002","90","","4431.5","0.2","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H114 Cl2 K2 N4 O4 Th2 -","- C86 H114 Cl2 K2 N4 O4 Th2 -","- C172 H228 Cl4 K4 N8 O8 Th4 -","2","0.5","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","0.71073","MoKα","","0.0904","0.0648","","","0.14","0.1485","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513626","12.232","0.005","12.893","0.005","23.252","0.005","90","0.005","90","0.005","90","0.005","3667","2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H52 K N3 Si2 Th -","- C38 H52 K N3 Si2 Th -","- C152 H208 K4 N12 Si8 Th4 -","4","1","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","1.5418","CuKα","","0.0636","0.0617","","","0.1628","0.1645","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513627","10.112","0.005","11.224","0.005","18.141","0.005","99.53","0.005","99.536","0.005","108.352","0.005","1874.4","1.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H56 I N2 O2.5 U -","- C42 H56 I N2 O2.5 U -","- C84 H112 I2 N4 O5 U2 -","2","1","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","0.71073","MoKα","","0.051","0.0473","","","0.1107","0.1127","","","","","","1.118","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513628","56.62","0.002","15.9509","0.0005","24.5801","0.001","90","","115.031","0.005","90","","20114.3","1.5","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 I N2 U -","- C32 H36 I N2 U -","- C896 H1008 I28 N56 U28 -","28","3.5","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","0.71073","MoKα","","0.1237","0.0643","","","0.1452","0.1782","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513629","31.0498","0.0007","11.5475","0.0002","10.1812","0.0002","90","","90","","90","","3650.44","0.13","170","2","170","2","","","","","","","","5","P n m a","-P 2ac 2n","62","U2I4L","","","- C32 H36 I4 N2 U2 -","- C32 H36 I4 N2 U2 -","- C128 H144 I16 N8 U8 -","4","0.5","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","0.71073","MoKα","","0.0444","0.0374","","","0.0721","0.0746","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513630","12.764","0.003","13.196","0.003","20.352","0.004","83.78","0.03","72.12","0.03","66.51","0.03","2991.7","1.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H40 B2 F12 N14 Rh2 -","- C58 H40 B2 F12 N14 Rh2 -","- C116 H80 B4 F24 N28 Rh4 -","2","1","","Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia","Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion","Chemical Science","2014","5","2","727","","10.1039/c3sc52366g","","","0.71073","MoKα","","0.0592","0.0398","","","0.1043","0.1116","","","","","","0.996","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513631","13.104","0.003","13.114","0.003","22.82","0.005","73.63","0.03","86.21","0.03","66.42","0.03","3443.5","1.7","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H44 B2 F12 N14 Rh2 -","- C66 H44 B2 F12 N14 Rh2 -","- C132 H88 B4 F24 N28 Rh4 -","2","1","","Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia","Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion","Chemical Science","2014","5","2","727","","10.1039/c3sc52366g","","","0.71073","MoKα","","0.0752","0.056","","","0.1614","0.172","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513632","14.698","0.003","26.636","0.005","23.354","0.007","90","","123.59","0.02","90","","7616","4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H54 B2 F12 N16 Rh2 -","- C78 H54 B2 F12 N16 Rh2 -","- C312 H216 B8 F48 N64 Rh8 -","4","1","","Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia","Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion","Chemical Science","2014","5","2","727","","10.1039/c3sc52366g","","","0.71073","MoKα","","0.0871","0.0575","","","0.1578","0.1709","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513633","50.745","0.01","19.81","0.004","13.614","0.003","90","","99.7","0.03","90","","13490","5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H53 B2 F8 N13 Rh2 -","- C68 H53 B2 F8 N13 Rh2 -","- C544 H424 B16 F64 N104 Rh16 -","8","1","","Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia","Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion","Chemical Science","2014","5","2","727","","10.1039/c3sc52366g","","","0.71073","MoKα","","0.107","0.0579","","","0.1589","0.1962","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513634","10.056","0.002","19.244","0.004","19.431","0.004","97.18","0.03","94.07","0.03","102.62","0.03","3621.8","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H63 B Cl F4 N15 Rh2 -","- C80 H63 B Cl F4 N15 Rh2 -","- C160 H126 B2 Cl2 F8 N30 Rh4 -","2","1","","Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia","Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion","Chemical Science","2014","5","2","727","","10.1039/c3sc52366g","","","0.41328","","","0.0786","0.0501","","","0.1547","0.1677","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513635","16.272","0.003","16.272","0.003","10.968","0.002","90","","90","","120","","2515","0.8","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H21 Co Li O6 -","- C15 H21 Co Li O6 -","- C90 H126 Co6 Li6 O36 -","6","0.166667","","Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V.","Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures","Chemical Science","2014","5","2","813","","10.1039/c3sc52657g","","","0.71073","Mo-Kα","","0.039","0.0314","","","0.0607","0.0615","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513636","11.333","0.002","12.275","0.002","12.46","0.002","104.286","0.002","107.918","0.002","110.038","0.002","1424.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H78 Co2 Li2 O18 -","- C48 H78 Co2 Li2 O18 -","- C48 H78 Co2 Li2 O18 -","1","0.5","","Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V.","Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures","Chemical Science","2014","5","2","813","","10.1039/c3sc52657g","","","0.71073","Mo-Kα","","0.055","0.0492","","","0.1439","0.1486","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513637","12.815","0.004","9.767","0.003","21.674","0.007","90","","90.183","0.004","90","","2712.8","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H78 Co2 Li2 O12 -","- C48 H78 Co2 Li2 O12 -","- C96 H156 Co4 Li4 O24 -","2","0.5","","Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V.","Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures","Chemical Science","2014","5","2","813","","10.1039/c3sc52657g","","","0.71073","Mo-Kα","","0.1173","0.0657","","","0.1356","0.1522","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513638","9.7761","0.0011","16.9962","0.0019","17.5593","0.0019","90","","100.919","0.001","90","","2864.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H78 Co3 O18 -","- C48 H78 Co3 O18 -","- C96 H156 Co6 O36 -","2","0.5","","Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V.","Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures","Chemical Science","2014","5","2","813","","10.1039/c3sc52657g","","","0.71073","Mo-Kα","","0.0383","0.0321","","","0.0812","0.084","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513639","22.8894","0.0013","12.5211","0.0006","15.4873","0.0007","90","","90.723","0.003","90","","4438.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52.5 H47 Cl N2 O6 -","- C52 H46 N2 O6 -","- C208 H184 N8 O24 -","4","0.5","","Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank","Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state","Chemical Science","2014","5","2","608","","10.1039/c3sc52344f","","","0.71073","MoKα","","0.0695","0.0587","","","0.1729","0.1816","","","","","","1.071","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513640","22.956","0.002","9.4115","0.0019","22.7754","0.0008","90","","90","","90","","4920.6","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C60 H62 N2 O6 -","- C60 H62 N2 O6 -","- C240 H248 N8 O24 -","4","1","","Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank","Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state","Chemical Science","2014","5","2","608","","10.1039/c3sc52344f","","","0.71073","MoKα","","0.0661","0.0537","","","0.1315","0.1382","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513641","13.495","0.003","14.896","0.003","26.835","0.005","90","","99.08","0.03","90","","5326.8","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H64 Cl2 N2 O6 -","- C60.89 H63.78 Cl1.78 N2 O6 -","- C243.56 H255.12 Cl7.12 N8 O24 -","4","1","","Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank","Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state","Chemical Science","2014","5","2","608","","10.1039/c3sc52344f","","","0.71073","MoKα","","0.1537","0.1354","","","0.2393","0.2485","","","","","","1.326","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513642","22.7","0.0018","22.7","0.0018","24.198","0.003","90","","90","","90","","12469","2","173","2","173","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C92 H84 Ag6 B6 Cl0 F24 N12 O24 -","- C92 H84 Ag6 B6 F24 N12 O24 -","- C368 H336 Ag24 B24 F96 N48 O96 -","4","0.5","","Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lyu, Guangxun; Chen, Lian; Hong, Maochun","A controllable and dynamic assembly system based on discrete metallocages","Chemical Science","2014","5","2","483","","10.1039/c3sc52442f","","","0.71073","MoKα","","0.0714","0.0697","","","0.1946","0.1972","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513643","16.213","0.004","23.949","0.005","18.894","0.004","90","","105.065","0.004","90","","7084","3","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C92 H84 Ag6 N12 O24 -","- C92 H84 Ag6 N12 O24 -","- C184 H168 Ag12 N24 O48 -","2","0.25","","Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lyu, Guangxun; Chen, Lian; Hong, Maochun","A controllable and dynamic assembly system based on discrete metallocages","Chemical Science","2014","5","2","483","","10.1039/c3sc52442f","","","0.71073","MoKα","","0.1195","0.1028","","","0.3125","0.3321","","","","","","1.013","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1513644","6.4922","0.0013","12.393","0.002","17.163","0.003","90","","90","","90","","1380.9","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 B F5 N2 -","- C14 H14 B F5 N2 -","- C56 H56 B4 F20 N8 -","4","1","","Choi, Sohee; Bouffard, Jean; Kim, Youngmi","Aggregation-induced emission enhancement of a meso-trifluoromethyl BODIPY via J-aggregation","Chemical Science","2014","5","2","751","","10.1039/c3sc52495g","","","0.71073","MoKα","","0.1757","0.108","","","0.2822","0.334","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513645","11.3274","0.0011","7.1032","0.0006","16.0113","0.0015","90","","90","","90","","1288.3","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H17 B F2 N2 -","- C14 H17 B F2 N2 -","- C56 H68 B4 F8 N8 -","4","0.5","","Choi, Sohee; Bouffard, Jean; Kim, Youngmi","Aggregation-induced emission enhancement of a meso-trifluoromethyl BODIPY via J-aggregation","Chemical Science","2014","5","2","751","","10.1039/c3sc52495g","","","0.71073","MoKα","","0.0869","0.0526","","","0.1253","0.1736","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513646","10.0183","0.0007","27.574","0.002","9.4686","0.0006","90","","95.291","0.001","90","","2604.5","0.3","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21 H22 Cl Cu N4 O10 Re -","- C21 H20 Cl Cu N4 O10 Re -","- C84 H80 Cl4 Cu4 N16 O40 Re4 -","4","1","","Easun, Timothy L.; Jia, Junhua; Reade, Thomas J.; Sun, Xue-Zhong; Davies, E. Stephen; Blake, Alexander J.; George, Michael W.; Champness, Neil R.","Modification of coordination networks through a photoinduced charge transfer process","Chemical Science","2014","5","2","539","","10.1039/c3sc52745j","","","0.6942","synchrotron","","0.0348","0.0292","","","0.0599","0.062","","","","","","0.91","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513647","9.593","0.002","11.372","0.002","15.779","0.003","90","","106.11","0.02","90","","1653.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 F6 Li2 N4 O2 -","- C30 H44 F6 Li2 N4 O2 -","- C60 H88 F12 Li4 N8 O4 -","2","0.5","","Salomone, Antonio; Perna, Filippo M.; Falcicchio, Aurelia; Nilsson Lill, Sten O.; Moliterni, Anna; Michel, Reent; Florio, Saverio; Stalke, Dietmar; Capriati, Vito","Direct observation of a lithiated oxirane: a synergistic study using spectroscopic, crystallographic, and theoretical methods on the structure and stereodynamics of lithiated ortho-trifluoromethyl styrene oxide","Chemical Science","2014","5","2","528","","10.1039/c3sc52099d","","","0.71073","MoKα","","0.0452","0.0384","","","0.0964","0.1008","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513648","13.2615","0.0008","14.2777","0.0009","17.565","0.0015","101.998","0.004","96.776","0.006","91.48","0.006","3226.1","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 B F10 P -","- C34 H36 B F10 P -","- C136 H144 B4 F40 P4 -","4","2","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.0689","0.0492","","","0.1141","0.1276","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513649","10.7438","0.0004","17.8343","0.0005","18.545","0.0005","90","","106.201","0.002","90","","3412.26","0.19","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 B F10 P -","- C34 H38 B F10 P -","- C136 H152 B4 F40 P4 -","4","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.071","0.0611","","","0.155","0.1644","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513650","10.8542","0.0005","13.8552","0.0005","14.0717","0.001","102.35","0.002","96.684","0.006","111.631","0.003","1876.71","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H41 B F10 N P -","- C39 H41 B F10 N P -","- C78 H82 B2 F20 N2 P2 -","2","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.0554","0.045","","","0.1093","0.1172","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513651","9.7184","0.0001","11.6807","0.0002","35.4816","0.0005","90","","90","","90","","4027.79","0.1","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H35 P -","- C22 H35 P -","- C176 H280 P8 -","8","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.037","0.0356","","","0.0951","0.0964","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513652","38.3733","0.0007","9.777","0.0002","22.7086","0.0006","90","","117.195","0.001","90","","7577.9","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H41 B F10 N P -","- C39 H41 B F10 N P -","- C312 H328 B8 F80 N8 P8 -","8","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.0795","0.051","","","0.1232","0.1419","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513653","15.4992","0.0003","17.104","0.0003","15.7066","0.0003","90","","93.555","0.001","90","","4155.78","0.13","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 B Cl2 F15 P -","- C41 H37 B Cl2 F15 P -","- C164 H148 B4 Cl8 F60 P4 -","4","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","0.71073","MoKα","","0.1258","0.0798","","","0.1433","0.168","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513654","8.9476","0.0018","15.748","0.003","32.247","0.006","90","","90","","90","","4543.8","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H26 F15 Ge N5 O -","- C46 H26 F15 Ge N5 O -","- C184 H104 F60 Ge4 N20 O4 -","4","1","","Fang, Huayi; Ling, Zhen; Lang, Ke; Brothers, Penelope J.; de Bruin, Bas; Fu, Xuefeng","Germanium(iii) corrole complex: reactivity and mechanistic studies of visible-light promoted N‒H bond activations","Chemical Science","2014","5","3","916","","10.1039/c3sc52326h","","","0.71073","MoKα","","0.0606","0.0549","","","0.1192","0.1234","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513655","13.016","0.004","15.843","0.005","18.314","0.006","102.173","0.004","103.316","0.005","99.283","0.003","3503.9","1.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H32 F30 Ge2 N8 O2 -","- C80 H32 F30 Ge2 N8 O2 -","- C160 H64 F60 Ge4 N16 O4 -","2","1","","Fang, Huayi; Ling, Zhen; Lang, Ke; Brothers, Penelope J.; de Bruin, Bas; Fu, Xuefeng","Germanium(iii) corrole complex: reactivity and mechanistic studies of visible-light promoted N‒H bond activations","Chemical Science","2014","5","3","916","","10.1039/c3sc52326h","","","0.71073","MoKα","","0.0926","0.0789","","","0.162","0.1701","","","","","","1.181","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513656","21.1256","0.0006","21.1256","0.0006","27.4118","0.0014","90","","90","","90","","12233.6","0.8","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C10.5 H7.5 Cl0.75 N0.75 O17.88 V3 -","- C10.51 H7.52 Cl0.75 N0.755 O17.88 V3 -","- C168.16 H120.32 Cl12 N12.08 O286.08 V48 -","16","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","0.41328","","","0.094","0.0593","","","0.1797","0.2085","","","","","","1.091","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513657","21.0482","0.0014","21.0482","0.0014","21.648","0.003","90","","90","","90","","9590.6","1.6","143","2","143","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 H18 Cl1.5 N1.5 O24 V6 -","- C21 H18 Cl1.5 N1.5 O24 V6 -","- C168 H144 Cl12 N12 O192 V48 -","8","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","0.71073","MoKα","","0.1681","0.0842","","","0.2089","0.2371","","","","","","1.042","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513658","37.3416","0.0011","21.508","0.0006","36.8796","0.001","90","","109.771","0.001","90","","27873.6","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C83.5 H114.24 Ba2.5 Cl3 N12 O68.13 V12 -","- C83.5 H114.27 Ba2.5 Cl3 N12 O68.18 V12 -","- C668 H914.16 Ba20 Cl24 N96 O545.44 V96 -","8","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","1.54178","CuKα","","0.0936","0.0742","","","0.1827","0.2061","","","","","","0.96","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513659","34.773","0.003","34.773","0.003","39.676","0.003","90","","90","","120","","41547","6","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H24 Cl6 O207.75 V30 -","- C72 H24 Cl6 O201.75 V30 -","- C432 H144 Cl36 O1210.5 V180 -","6","0.166667","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","0.71073","MoKα","","0.1954","0.0877","","","0.1946","0.2524","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513660","21.1683","0.0005","21.1683","0.0005","27.3991","0.0015","90","","90","","90","","12277.5","0.8","396","2","396","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C88 H56 Cl6 N8 O139 V26.2 -","- C88 H56 Cl6 N8 O139.68 V26.2 -","- C176 H112 Cl12 N16 O279.36 V52.4 -","2","0.125","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks","Chemical Science","2014","5","3","927","","10.1039/c3sc53099j","","","0.71073","MoKα","","0.1395","0.0791","","","0.2086","0.244","","","","","","1.144","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513661","10.3857","0.0005","12.5498","0.0006","13.3966","0.0006","80.96","0.002","86.06","0.002","89.464","0.002","1720.33","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H45 Fe N3 -","- C42 H45 Fe N3 -","- C84 H90 Fe2 N6 -","2","1","","Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J.","Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical","Chemical Science","2014","5","3","1168","","10.1039/c3sc52450g","","","0.71073","MoKα","","0.0673","0.0467","","","0.1037","0.1142","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513662","21.344","0.005","14.623","0.005","23.427","0.005","90","","116.242","0.005","90","","6558","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 Fe N3 -","- C40 H41 Fe N3 -","- C320 H328 Fe8 N24 -","8","2","","Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J.","Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical","Chemical Science","2014","5","3","1168","","10.1039/c3sc52450g","","","1.54184","CuKα","","0.0423","0.0354","","","0.0848","0.0893","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513663","11.5779","0.0007","23.3582","0.0015","15.6591","0.001","90","","101.95","0.002","90","","4143.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C96 H116 Fe2 N10 O -","- C96 H116 Fe2 N10 O -","- C192 H232 Fe4 N20 O2 -","2","1","","Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J.","Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical","Chemical Science","2014","5","3","1168","","10.1039/c3sc52450g","","","0.71073","MoKα","","0.0428","0.0393","","","0.1041","0.1083","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513664","14.6683","0.0014","28.684","0.003","13.8712","0.0013","90","","90.199","0.002","90","","5836.2","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","07286b","","","- C19 H37 F6 Fe N5 O7 S2 -","- C19 H37 F6 Fe N5 O7 S2 -","- C152 H296 F48 Fe8 N40 O56 S16 -","8","2","","England, Jason; Bigelow, Jennifer O; Van Heuvelen, Katherine M; Farquhar, Erik R; Martinho, Marléne; Meier, Katlyn K; Frisch, Jonathan R; Münck, Eckard; Que, Jr, Lawrence","An Ultra-Stable Oxoiron(IV) Complex and Its Blue Conjugate Base.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1204","1215","10.1039/C3SC52755G","","","0.71073","MoKα","","0.0788","0.0478","","","0.0984","0.1078","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513665","12.4264","0.0012","11.0862","0.001","20.4399","0.0019","90","","94.5","0.002","90","","2807.2","0.5","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","07217a","","","- C19 H37 F6 Fe N5 O8 S2 -","- C19 H37 F6 Fe N5 O8 S2 -","- C76 H148 F24 Fe4 N20 O32 S8 -","4","1","","England, Jason; Bigelow, Jennifer O; Van Heuvelen, Katherine M; Farquhar, Erik R; Martinho, Marléne; Meier, Katlyn K; Frisch, Jonathan R; Münck, Eckard; Que, Jr, Lawrence","An Ultra-Stable Oxoiron(IV) Complex and Its Blue Conjugate Base.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1204","1215","10.1039/C3SC52755G","","","0.71073","MoKα","","0.0455","0.0343","","","0.0836","0.0878","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513666","5.1209","0.0001","13.4823","0.0002","26.8004","0.0005","90","","90","","90","","1850.34","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","RajanBabu 1696","","","- C21 H17 N5 O3 -","- C21 H17 N5 O3 -","- C84 H68 N20 O12 -","4","1","","Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V.","Bimetallic catalysis in the highly enantioselective ring‒opening reactions of aziridines","Chemical Science","2014","5","3","1102","","10.1039/c3sc52929k","","x-ray","0.71073","MoKα","","0.0597","0.0373","","","0.065","0.0712","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513667","7.6612","0.0001","13.3624","0.0001","28.3524","0.0003","90","","90","","90","","2902.49","0.05","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","RajanBabu1748","","","- C14 H15 N3 O3 S -","- C14 H15 N3 O3 S -","- C112 H120 N24 O24 S8 -","8","1","","Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V.","Bimetallic catalysis in the highly enantioselective ring‒opening reactions of aziridines","Chemical Science","2014","5","3","1102","","10.1039/c3sc52929k","","x-ray","0.71073","MoKα","","0.053","0.0322","","","0.0769","0.0829","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513668","8.265","0.002","11.375","0.003","17.895","0.004","105.856","0.009","99.89","0.009","94.67","0.01","1579.6","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H36 N4 Si -","- C39 H36 N4 Si -","- C78 H72 N8 Si2 -","2","1","","London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins","Chemical Science","2014","5","3","965","","10.1039/c3sc52623b","","","0.71073","MoKα","","0.0986","0.0524","","","0.1001","0.1178","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513669","20.094","0.007","17.545","0.006","24.43","0.008","90","","112.452","0.005","90","","7960","5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H42 Cl2 N2 O4 Si -","- C45 H42 Cl2 N2 O4 Si -","- C360 H336 Cl16 N16 O32 Si8 -","8","2","","London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins","Chemical Science","2014","5","3","965","","10.1039/c3sc52623b","","","0.71073","MoKα","","0.2916","0.2692","","","0.6166","0.6271","","","","","","3.589","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1513670","14.703","0.015","14.833","0.016","15.051","0.016","85.804","0.018","87.16","0.019","66.309","0.015","2997","5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H38 O2 Si -","- C39 H38 O2 Si -","- C156 H152 O8 Si4 -","4","2","","London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins","Chemical Science","2014","5","3","965","","10.1039/c3sc52623b","","","0.71073","MoKα","","0.2153","0.1187","","","0.3035","0.3506","","","","","","1.145","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513671","38.218","0.008","19.296","0.004","8.514","0.0018","90","","90.665","0.004","90","","6278","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H36.5 O3.25 Si -","- C33 H34 O2 Si -","- C264 H272 O16 Si8 -","8","1","","London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins","Chemical Science","2014","5","3","965","","10.1039/c3sc52623b","","","0.71073","MoKα","","0.0832","0.0599","","","0.1802","0.1886","","","","","","1.24","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513672","8.8447","0.0004","18.3363","0.0009","17.4324","0.0006","90","","114.902","0.002","90","","2564.3","0.2","100","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Si -","- C33 H36 Si -","- C132 H144 Si4 -","4","1","","London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins","Chemical Science","2014","5","3","965","","10.1039/c3sc52623b","","x-ray","0.71073","MoKα","K-L~3~","0.059","0.0478","","","0.1125","0.1196","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513673","11.5705","0.0005","12.2221","0.0003","13.6923","0.0003","111.408","0.001","105.64","0.001","97.431","0.001","1679.03","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H44 Cl4 N4 P4 -","- C26 H44 Cl4 N4 P4 -","- C52 H88 Cl8 N8 P8 -","2","1","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.0687","0.0427","","","0.1035","0.1184","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513674","18.4786","0.0014","10.3968","0.0007","16.676","0.0012","90","","109.266","0.003","90","","3024.3","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H42 Cl2 N4 P4 -","- C25 H42 Cl2 N4 P4 -","- C100 H168 Cl8 N16 P16 -","4","0.5","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.1345","0.0557","","","0.0978","0.1231","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513675","18.2251","0.0007","16.1902","0.0006","16.0587","0.0007","90","","115.528","0.002","90","","4275.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1,3-bis[4-(N,N-dimethylamino)piridyl]-2,4-bis(trimethylsilyl)-cyclo-1,3- diphospha-2,4-diazenium bis-tetrachlorogallate","","- C21 H40 Cl10 Ga2 N6 P2 Si2 -","- C21 H40 Cl10 Ga2 N6 P2 Si2 -","- C84 H160 Cl40 Ga8 N24 P8 Si8 -","4","1","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.051","0.035","","","0.0875","0.0934","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513676","11.1833","0.0003","16.4208","0.0004","19.4337","0.0005","67.276","0.001","82.19","0.001","83.223","0.001","3252.83","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H29 F3 N O3 P S Si -","- C16 H29 F3 N O3 P S Si -","- C96 H174 F18 N6 O18 P6 S6 Si6 -","6","3","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.1145","0.0522","","","0.1001","0.1225","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513677","8.7479","0.0003","10.5358","0.0004","42.6705","0.0014","90","","93.724","0.002","90","","3924.5","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 F3 N O3 P S Si -","- C16 H25 F3 N O3 P S Si -","- C128 H200 F24 N8 O24 P8 S8 Si8 -","8","2","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.1195","0.055","","","0.1172","0.136","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513678","17.333","0.0014","8.3372","0.0006","14.4037","0.001","90","","90","","90","","2081.5","0.3","173","2","173","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C14 H25 Cl2 F3 N O4 P S -","- C14 H25 Cl2 F3 N O4 P S -","- C56 H100 Cl8 F12 N4 O16 P4 S4 -","4","1","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.0945","0.053","","","0.1155","0.13","","","","","","0.97","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513679","9.1199","0.0003","13.8435","0.0005","17.1181","0.0007","70.892","0.002","88.485","0.002","89.599","0.002","2041.39","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.81 H51.21 Mo N4 O3 P4 -","- C36.807 H51.208 Mo N4 O3 P4 -","- C73.614 H102.416 Mo2 N8 O6 P8 -","2","1","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.0807","0.0463","","","0.1118","0.1217","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513680","9.0715","0.0004","18.1902","0.0006","18.4948","0.0007","90","","94.483","0.002","90","","3042.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Mo N4 O3 P4 -","- C27 H40 Mo N4 O3 P4 -","- C108 H160 Mo4 N16 O12 P16 -","4","1","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.1145","0.0522","","","0.0897","0.1104","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513681","20.4707","0.0008","20.2868","0.0007","18.9919","0.0006","90","","110.519","0.002","90","","7386.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 N4 O7 P4 W2 -","- C31 H40 N4 O7 P4 W2 -","- C248 H320 N32 O56 P32 W16 -","8","2","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.116","0.0475","","","0.0798","0.1003","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513682","5.9362","0.0002","13.8472","0.0005","9.4","0.0003","90","","97.888","0.002","90","","765.37","0.05","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 Mo N3 O3 -","- C12 H15 Mo N3 O3 -","- C24 H30 Mo2 N6 O6 -","2","0.5","","Hering, Christian; Schulz, Axel; Villinger, Alexander","Diatomic PN ‒ trapped in a cyclo-tetraphosphazene","Chemical Science","2014","5","3","1064","","10.1039/c3sc52322e","","","0.71073","MoKα","","0.0276","0.0231","","","0.046","0.0478","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513683","9.29","0.003","24.265","0.008","13.856","0.005","90","","106.244","0.006","90","","2998.8","1.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 B2 Mg N3 O5 -","- C27 H43 B2 Mg N3 O5 -","- C108 H172 B8 Mg4 N12 O20 -","4","1","","Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D.","Magnesium-catalyzed hydroboration of esters: evidence for a new zwitterionic mechanism","Chemical Science","2014","5","3","959","","10.1039/c3sc52793j","","","0.71073","MoKα","","0.1058","0.0538","","","0.1084","0.1318","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513684","10.4348","0.0011","19.441","0.002","14.262","0.0015","90","","99.963","0.002","90","","2849.6","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 B2 Mg2 N6 O8 -","- C46 H68 B2 Mg2 N6 O8 -","- C92 H136 B4 Mg4 N12 O16 -","2","0.5","","Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D.","Magnesium-catalyzed hydroboration of esters: evidence for a new zwitterionic mechanism","Chemical Science","2014","5","3","959","","10.1039/c3sc52793j","","","0.71073","MoKα","","0.0643","0.0452","","","0.1178","0.1263","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513685","14.6186","0.0001","14.8584","0.0001","27.0913","0.0003","90.0175","0.0005","93.0811","0.0005","116.842","0.0004","5240.86","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H162 N2 O12 Se2 U2 -","- C120 H162 N2 O12 Se2 U2 -","- C240 H324 N4 O24 Se4 U4 -","2","1","","Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes","Chemical Science","2014","5","3","942","","10.1039/c3sc52799a","","","0.71073","MoKα","","0.0457","0.0299","","","0.0571","0.0616","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513686","11.2872","0.0008","16.8161","0.0012","28.943","0.002","85.729","0.002","87.925","0.002","89.368","0.002","5474.5","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C123.5 H151.5 N2 O6 Se3.86 U2 -","- C123.5 H151.5 N2 O6 Se3.8622 U2 -","- C247 H303 N4 O12 Se7.7244 U4 -","2","1","","Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes","Chemical Science","2014","5","3","942","","10.1039/c3sc52799a","","","0.71073","MoKα","","0.0379","0.0296","","","0.0752","0.0789","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513687","18.092","0.002","12.365","0.0006","28.315","0.003","90","0.007","118.117","0.012","90","0.008","5586.8","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H164 N2 O8 Se4.11 U2 -","- C130 H164 N2 O8 Se4.11 U2 -","- C260 H328 N4 O16 Se8.22 U4 -","2","0.5","","Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes","Chemical Science","2014","5","3","942","","10.1039/c3sc52799a","","","0.71073","MoKα","","0.0711","0.0441","","","0.0754","0.0802","","","","","","1.573","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513688","20.544","0.0003","22.5155","0.0003","24.1171","0.0003","88.407","0.001","84.055","0.001","75.504","0.001","10742.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C236 H314 N4 O22 S8 U4 -","- C236 H314 N4 O22 S8 U4 -","- C472 H628 N8 O44 S16 U8 -","2","1","","Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten","Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes","Chemical Science","2014","5","3","942","","10.1039/c3sc52799a","","","0.71073","MoKα","","0.068","0.0428","","","0.098","0.1063","","","","","","1.217","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513689","14.2992","0.0006","7.084","0.0003","13.4824","0.0006","90","","108.84","0.002","90","","1292.54","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 S2 -","- C34 H28 S2 -","- C68 H56 S4 -","2","0.5","","Young, Brian S; Chase, Daniel T; Marshall, Jonathan L; Vonnegut, Chris L; Zakharov, Lev N; Haley, Michael M","Synthesis and Properties of Fully-Conjugated Indacenedithiophenes.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1008","1014","10.1039/C3SC53181C","","","1.54178","CuKα","","0.0418","0.0398","","","0.117","0.1194","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513690","14.4327","0.0005","11.8497","0.0004","8.9975","0.0003","90","","94.02","0.001","90","","1534.99","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 S2 -","- C42 H32 S2 -","- C84 H64 S4 -","2","0.5","","Young, Brian S; Chase, Daniel T; Marshall, Jonathan L; Vonnegut, Chris L; Zakharov, Lev N; Haley, Michael M","Synthesis and Properties of Fully-Conjugated Indacenedithiophenes.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1008","1014","10.1039/C3SC53181C","","","0.71073","MoKα","","0.0529","0.0472","","","0.1298","0.135","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513691","13.689","0.002","7.3177","0.0012","17.167","0.003","90","","112.808","0.003","90","","1585.2","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 S2 -","- C42 H32 S2 -","- C84 H64 S4 -","2","0.5","","Young, Brian S; Chase, Daniel T; Marshall, Jonathan L; Vonnegut, Chris L; Zakharov, Lev N; Haley, Michael M","Synthesis and Properties of Fully-Conjugated Indacenedithiophenes.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1008","1014","10.1039/C3SC53181C","","","0.71073","MoKα","","0.073","0.0483","","","0.1135","0.1261","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513692","7.9092","0.0014","8.0857","0.0014","10.8326","0.0019","91.725","0.004","107.227","0.004","105.087","0.004","634.55","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 S2 -","- C34 H28 S2 -","- C34 H28 S2 -","1","0.5","","Young, Brian S; Chase, Daniel T; Marshall, Jonathan L; Vonnegut, Chris L; Zakharov, Lev N; Haley, Michael M","Synthesis and Properties of Fully-Conjugated Indacenedithiophenes.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","3","1008","1014","10.1039/C3SC53181C","","","0.71073","MoKα","","0.0549","0.0449","","","0.1126","0.1196","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513693","7.2711","0.0003","11.9307","0.0005","29.9623","0.0013","95.055","0.003","95.38","0.004","95.045","0.003","2565.54","0.19","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H29 N O2 -","- C38 H29 N O2 -","- C152 H116 N4 O8 -","4","2","","Shi, Ke; Lei, Ting; Wang, Xiao-Ye; Wang, Jie-Yu; Pei, Jian","A bowl-shaped molecule for organic field-effect transistors: crystal engineering and charge transport switching by oxygen doping","Chemical Science","2014","5","3","1041","","10.1039/c3sc52701h","","","0.7107","MoKα","","0.0838","0.0576","","","0.1292","0.1415","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513694","8.8131","0.0015","13.356","0.002","26.551","0.005","90","","90","","90","","3125.3","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","trifluoro-1,4,7-trimethyl-1,4,7-triazonane-aluminium(III) hydrate","","- C9 H29 Al F3 N3 O4 -","- C9 H29 Al F3 N3 O4 -","- C72 H232 Al8 F24 N24 O32 -","8","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.1239","0.0791","","","0.1685","0.1957","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513695","13.42","0.004","8.871","0.002","13.542","0.003","90","","97.816","0.015","90","","1597.2","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trifluoro(1,4,7-trimethyl-1,4,7-triazacyclononane)gallium(III) tetrahydrate","","- C9 H29 F3 Ga N3 O4 -","- C9 H29 F3 Ga N3 O4 -","- C36 H116 F12 Ga4 N12 O16 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0762","0.0579","","","0.1238","0.1329","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513696","6.8679","0.001","20.187","0.004","12.014","0.002","90","","99.482","0.01","90","","1642.9","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trifluoro(1,4,7-trimethyl-1,4,7-triazonane-N,N'N"")indium(III)","","- C9 H29 F3 In N3 O4 -","- C9 H29 F3 In N3 O4 -","- C36 H116 F12 In4 N12 O16 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0254","0.0219","","","0.0441","0.046","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513697","6.7721","0.001","13.666","0.003","18.998","0.003","90","","96.106","0.01","90","","1748.2","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trifluoro(1-benzyl-4,7-dimethyl-1,4,7-triazonane-N,N'N"")indium(III) hydrate","","- C15 H27 F3 In N3 O1.2 -","- C15 H27 F3 In N3 O1.2 -","- C60 H108 F12 In4 N12 O4.8 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0251","0.022","","","0.0458","0.0476","","","","","","1.099","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513698","12.128","0.005","7.185","0.002","15.695","0.006","90","","90.07","0.05","90","","1367.7","0.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trichloro-(1,4,7-trimethyl-1,4,7-triazonane-N,N',N"")aluminium(III)","","- C9 H21 Al Cl3 N3 -","- C9 H21 Al Cl3 N3 -","- C36 H84 Al4 Cl12 N12 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0781","0.058","","","0.1066","0.1191","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513699","12.173","0.003","7.2253","0.001","15.696","0.006","90","","90.239","0.006","90","","1380.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trichloro(1,4,7-trimethyl-1,4,7-triazacyclononane)galliun(III)","","- C9 H21 Cl3 Ga N3 -","- C9 H21 Cl3 Ga N3 -","- C36 H84 Cl12 Ga4 N12 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0244","0.0211","","","0.0521","0.0534","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513700","16.276","0.003","16.175","0.003","14.815","0.002","90","","105.595","0.002","90","","3756.7","1.1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tribromo(1,4,7-trimethyl-1,4,7-triazacyclononane)indium(III) dichloromethane solvate","","- C10 H23 Br3 Cl2 In N3 -","- C10 H23 Br3 Cl2 In N3 -","- C80 H184 Br24 Cl16 In8 N24 -","8","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0706","0.0447","","","0.0801","0.0883","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513701","7.2893","0.0015","15.026","0.004","18.528","0.004","90","","100.924","0.015","90","","1992.6","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1-benzyl-4,7-dimethyl-1,4,7-triazonane-N,N',N"")-trichloro-indium(III)","","- C15 H25 Cl3 In N3 -","- C15 H25 Cl3 In N3 -","- C60 H100 Cl12 In4 N12 -","4","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0758","0.0532","","","0.0962","0.1073","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513702","12.979","0.002","12.979","0.002","13.565","0.004","90","","90","","120","","1978.9","0.7","120","2","120","2","","","","","","","","7","P 63/m","-P 6c","176","","tris(mu~2~-hydroxy)bis((1,4,7-trimethyl-1,4,7-triazacyclononane)- gallium(III)) bromide dichloromethane solvate","","- C21 H51 Br3 Cl6 Ga2 N6 O3 -","- C21 H51 Br3 Cl6 Ga2 N6 O3 -","- C42 H102 Br6 Cl12 Ga4 N12 O6 -","2","0.166667","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0542","0.0436","","","0.0912","0.097","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513703","7.997","0.005","7.997","0.005","18.178","0.007","90","","90","","120","","1006.8","1","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","","tris(tetramethylammonium) (mu~2~-trifluoro-hexafluorodialuminate)","","- C12 H36 Al2 F9 N3 -","- C12 H36 Al2 F9 N3 -","- C24 H72 Al4 F18 N6 -","2","0.166667","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.0631","0.0426","","","0.098","0.1073","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513704","5.512","0.003","10.789","0.007","14.89","0.009","88.566","0.012","81.672","0.012","83.072","0.009","869.7","0.9","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 F3 N O5 -","- C19 H14 F3 N O5 -","- C38 H28 F6 N2 O10 -","2","1","","Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi","Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins","Chemical Science","2014","5","1","410","","10.1039/c3sc52548a","","","0.71075","MoKα","","","0.0454","","","","0.1266","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513705","22.067","0.011","6.117","0.003","29.455","0.015","90","","92.449","0.006","90","","3972","3","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H13 F6 N O6 -","- C20 H13 F6 N O6 -","- C160 H104 F48 N8 O48 -","8","1","","Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi","Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins","Chemical Science","2014","5","1","410","","10.1039/c3sc52548a","","","0.71075","MoKα","","","0.0417","","","","0.114","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513706","5.877","0.004","11.649","0.008","12.864","0.008","87.422","0.012","81.769","0.012","83.004","0.014","864.8","1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 F3 N O5 -","- C19 H14 F3 N O5 -","- C38 H28 F6 N2 O10 -","2","1","","Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi","Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins","Chemical Science","2014","5","1","410","","10.1039/c3sc52548a","","","0.71075","MoKα","","","0.0401","","","","0.1097","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513707","10.5731","0.0007","28.9962","0.0019","13.1962","0.0009","90","","94.339","0.004","90","","4034.1","0.5","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F6 N O6 -","- C20 H13 F6 N O6 -","- C160 H104 F48 N8 O48 -","8","2","","Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi","Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins","Chemical Science","2014","5","1","410","","10.1039/c3sc52548a","","","0.71075","MoKα","","","0.059","","","","0.1363","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513708","24.2856","0.0005","12.7122","0.0003","9.1833","0.0002","90","","90","","90","","2835.1","0.11","170","2","170","2","","","","","","","","6","P n m a","-P 2ac 2n","62","iron(II) TMC thiocyanate triflate","","","- C19 F3 Fe N7 O3 S2 -","- C19 F3 Fe N7 O3 S2 -","- C76 F12 Fe4 N28 O12 S8 -","4","0.5","","Hong, Seungwoo; Lee, Yong-Min; Cho, Kyung-Bin; Seo, Mi Sook; Song, Dayoung; Yoon, Jihae; Garcia-Serres, Ricardo; Clémancey, Martin; Ogura, Takashi; Shin, Woonsup; Latour, Jean-Marc; Nam, Wonwoo","Conversion of high-spin iron(iii)‒alkylperoxo to iron(iv)‒oxo species via O‒O bond homolysis in nonheme iron models","Chemical Science","2014","5","1","156","","10.1039/c3sc52236a","","","0.71073","MoKα","","0.0769","0.068","","","0.2209","0.2413","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513709","12.5266","0.0011","15.2138","0.0013","25.537","0.002","90","","92.315","0.002","90","","4862.8","0.7","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","holkc16","","","- C49 H78 Fe K N2 O3 -","- C49 H78 Fe K N2 O3 -","- C196 H312 Fe4 K4 N8 O12 -","4","1","","Chiang, Karen P.; Bellows, Sarina M.; Brennessel, William W.; Holland, Patrick L.","Multimetallic Cooperativity in Activation of Dinitrogen at Iron-Potassium Sites.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","1","267","","10.1039/C3SC52487F","","","0.71073","MoKα","","0.0889","0.0484","","","0.1132","0.1308","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513710","37.332","0.002","9.7164","0.0006","23.2858","0.0013","90","","111.588","0.001","90","","7854","0.8","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","holkc14","","","- C82 H116 Fe2 K2 N4 O2 -","- C82 H116 Fe2 K2 N4 O2 -","- C328 H464 Fe8 K8 N16 O8 -","4","0.5","","Chiang, Karen P.; Bellows, Sarina M.; Brennessel, William W.; Holland, Patrick L.","Multimetallic Cooperativity in Activation of Dinitrogen at Iron-Potassium Sites.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","1","267","","10.1039/C3SC52487F","","","0.71073","MoKα","","0.1183","0.0594","","","0.1234","0.1457","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513711","19.4155","0.0011","26.1583","0.0015","20.9929","0.0012","90","","116.455","0.001","90","","9545.3","0.9","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","holkc20","","","- C105 H142 Fe2 K2 N4 O5 -","- C105 H142 Fe2 K2 N4 O5 -","- C420 H568 Fe8 K8 N16 O20 -","4","1","","Chiang, Karen P.; Bellows, Sarina M.; Brennessel, William W.; Holland, Patrick L.","Multimetallic Cooperativity in Activation of Dinitrogen at Iron-Potassium Sites.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","1","267","","10.1039/C3SC52487F","","","0.71073","MoKα","","0.1092","0.053","","","0.1326","0.17","","","","","","0.912","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513712","18.0913","0.0018","7.5678","0.0008","22.361","0.002","90","","93.183","0.005","90","","3056.8","0.5","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H13 Br F2 O2 -","- C17 H13 Br F2 O2 -","- C136 H104 Br8 F16 O16 -","8","4","","Zhang, Qi; Nguyen, Hien M.","Rhodium-catalyzed regioselective opening of vinyl epoxides with Et3N·3HF reagent ‒ formation of allylic fluorohydrins","Chemical Science","2014","5","1","291","","10.1039/c3sc51949j","","","0.71073","MoKα","","0.0602","0.0353","","","0.0762","0.0856","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513713","9.9429","0.0008","22.741","0.0016","10.5329","0.0007","90","","111.939","0.007","90","","2209.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C34 H55 Cu6 F N12 O5 -","- C34 H55 Cu6 F N12 O5 -","- C68 H110 Cu12 F2 N24 O10 -","2","0.5","","Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio","Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure","Chemical Science","2014","5","1","324","","10.1039/c3sc52628c","","","0.71073","MoKα","","0.1089","0.0525","","","0.1138","0.1378","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513714","19.873","0.0005","19.873","0.0005","9.9681","0.0004","90","","90","","120","","3409.34","0.18","120","2","120","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C33 H52 Cl3 Cu6 N13 O6 -","- C33 H52.06 Cl3 Cu6 N13 O6 -","- C99 H156.18 Cl9 Cu18 N39 O18 -","3","0.166667","","Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio","Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure","Chemical Science","2014","5","1","324","","10.1039/c3sc52628c","","","0.71073","MoKα","","0.0495","0.0356","","","0.0734","0.0813","","","","","","1.08","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513715","20.1726","0.0008","20.1726","0.0008","10.1341","0.0007","90","","90","","120","","3571.4","0.3","373","2","373","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H48 Cu6 N12 O6 -","- C30 H48 Cu6 N12 O6 -","- C90 H144 Cu18 N36 O18 -","3","0.166667","","Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio","Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure","Chemical Science","2014","5","1","324","","10.1039/c3sc52628c","","","0.71073","MoKα","","0.1633","0.0918","","","0.2329","0.3015","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513716","19.8969","0.0003","19.8969","0.0003","9.9518","0.0003","90","","90","","120","","3411.95","0.13","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H48 Cu6 N12 O6 -","- C30 H48 Cu6 N12 O6 -","- C90 H144 Cu18 N36 O18 -","3","0.166667","","Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio","Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure","Chemical Science","2014","5","1","324","","10.1039/c3sc52628c","","","0.71073","MoKα","","0.0748","0.0662","","","0.1915","0.2006","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513717","55.3514","0.0013","16.6288","0.0004","32.7345","0.0006","90","","115.557","0.003","90","","27181.7","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H162 Cr7 F8 N Ni O35 -","- C92 H162 Cr7 F8 N Ni O35 -","- C736 H1296 Cr56 F64 N8 Ni8 O280 -","8","1","","Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.","The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings","Chemical Science","2014","5","1","235","","10.1039/c3sc52095a","","","1.54178","CuKα","","0.1721","0.1468","","","0.3671","0.385","","","","","","1.16","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513718","25.0881","0.0011","16.4808","0.0007","33.9931","0.0015","90","","91.685","0.004","90","","14049.1","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94 H167 Cr7 F8 N2 Ni O34 -","- C94 H167 Cr7 F8 N2 Ni O34 -","- C376 H668 Cr28 F32 N8 Ni4 O136 -","4","1","","Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.","The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings","Chemical Science","2014","5","1","235","","10.1039/c3sc52095a","","","1.54178","CuKα","","0.166","0.0865","","","0.2005","0.2445","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513719","16.2899","0.0008","30.037","0.002","29.588","0.002","90","","97.377","0.006","90","","14357.6","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H175 Cr7 F8 N2 Ni O34 -","- C98 H175 Cr7 F8 N2 Ni O34 -","- C392 H700 Cr28 F32 N8 Ni4 O136 -","4","1","","Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.","The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings","Chemical Science","2014","5","1","235","","10.1039/c3sc52095a","","","0.71073","MoKα","","0.1672","0.0981","","","0.2565","0.3055","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513720","42.289","0.0006","42.289","0.0006","31.7707","0.0007","90","","90","","90","","56817.4","1.7","150","2","150","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C359 H630 Cr28 Cu4 F32 N4 Ni4 O141 -","- C359 H626 Cr28 Cu4 F32 N4 Ni4 O141 -","- C1436 H2504 Cr112 Cu16 F128 N16 Ni16 O564 -","4","0.25","","Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.","The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings","Chemical Science","2014","5","1","235","","10.1039/c3sc52095a","","","0.6889","synchrotron","","0.1175","0.0873","","","0.2448","0.2821","","","","","","1.055","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513721","39.9717","0.0015","48.6332","0.0016","43.5363","0.0015","90","","91.283","0.003","90","","84611","5","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C549 H930 Cr42 F48 N6 Ni6 O207 Zn4 -","- C549 H930 Cr42 F48 N6 Ni6 O207 Zn4 -","- C2196 H3720 Cr168 F192 N24 Ni24 O828 Zn16 -","4","1","","Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P.","The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings","Chemical Science","2014","5","1","235","","10.1039/c3sc52095a","","","1.54178","CuKα","","0.1914","0.1383","","","0.3749","0.4179","","","","","","1.577","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513722","17.135","0.003","9.4044","0.0019","20.723","0.004","90","","101.54","0.03","90","","3271.9","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H56 Si6 -","- C24 H56 Si6 -","- C96 H224 Si24 -","4","0.5","","Tibbelin, Julius; Wallner, Andreas; Emanuelsson, Rikard; Heijkenskjöld, Filip; Rosenberg, Martin; Yamazaki, Kaoru; Nauroozi, Djawed; Karlsson, Leif; Feifel, Raimund; Pettersson, Roland; Baumgartner, Judith; Ott, Sascha; Ottosson, Henrik","1,4-Disilacyclohexa-2,5-diene: a molecular building block that allows for remarkably strong neutral cyclic cross-hyperconjugation","Chemical Science","2014","5","1","360","","10.1039/c3sc52389f","","","0.71073","MoKα","","0.0332","0.0311","","","0.0819","0.0837","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513723","16.6223","0.0005","22.9236","0.0006","29.6344","0.0008","71.154","0.002","78.075","0.002","73.175","0.002","10149.1","0.5","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C79.72 H78.59 F48 N14.86 P8 -","- C79.73 H78.595 F48 N14.865 P8 -","- C318.92 H314.38 F192 N59.46 P32 -","4","2","","Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser","Topological isomerism in a chiral handcuff catenane","Chemical Science","2014","5","1","90","","10.1039/c3sc52106k","","","1.54178","CuKα","","0.1562","0.0983","","","0.2597","0.3027","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513724","16.475","0.004","18.609","0.005","25.278","0.006","105.106","0.008","99.281","0.007","93.008","0.006","7348","3","100","2","99.97","","","","","","","","","6","P -1","-P 1","2","","","","- C125 H139 F48 N15 O15 P8 -","- C125 H139 F48 N15 O15 P8 -","- C250 H278 F96 N30 O30 P16 -","2","1","","Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser","Topological isomerism in a chiral handcuff catenane","Chemical Science","2014","5","1","90","","10.1039/c3sc52106k","","","1.54178","CuKα","","0.0814","0.0668","","","0.1811","0.1899","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513725","20.0951","0.0004","31.3942","0.0006","24.2862","0.0005","90","","94.082","0.001","90","","15282.6","0.5","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C110 H118 F48 N8 O14 P8 -","- C110 H118 F48 N8 O14 P8 -","- C440 H472 F192 N32 O56 P32 -","4","1","","Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser","Topological isomerism in a chiral handcuff catenane","Chemical Science","2014","5","1","90","","10.1039/c3sc52106k","","","1.54184","CuKα","","0.1067","0.0893","","","0.2511","0.262","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513726","41","0.003","41","0.003","32.818","0.002","90","","90","","90","","55167","7","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","U124P32","","","- K19 O223.5 P8 U31 -","- K19 O223.5 P8 U31 -","- K152 O1788 P64 U248 -","8","1","","Qiu, Jie; Ling, Jie; Jouffret, Laurent; Thomas, Rebecca; Szymanowski, Jennifer E. S.; Burns, Peter C.","Water-soluble multi-cage super tetrahedral uranyl peroxide phosphate clusters","Chemical Science","2014","5","1","303","","10.1039/c3sc52357h","","","0.71073","MoKα","","0.0993","0.0606","","","0.1551","0.1799","","","","","","1.191","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513727","14.515","0.002","15.214","0.002","13.3114","0.0017","90","","99.134","0.003","90","","2902.3","0.7","113","2","113","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 -","- C42 H34 -","- C168 H136 -","4","0.5","","Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito","Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame","Chemical Science","2014","5","1","163","","10.1039/c3sc52622d","","","0.71075","MoKα","","0.0617","0.0448","","","0.1147","0.146","","","","","","1.145","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513728","9.251","0.003","18.592","0.006","22.277","0.007","90","","94.409","0.009","90","","3820","2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Cl2 N2 O2 -","- C50 H34 Cl2 N2 O2 -","- C200 H136 Cl8 N8 O8 -","4","1","","Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito","Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame","Chemical Science","2014","5","1","163","","10.1039/c3sc52622d","","","0.71075","MoKα","","0.1697","0.0946","","","0.2204","0.2868","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513729","8.266","0.0009","18.71","0.002","21.637","0.002","90","","90.739","0.003","90","","3346","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 O3 -","- C45 H40 O3 -","- C180 H160 O12 -","4","1","","Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito","Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame","Chemical Science","2014","5","1","163","","10.1039/c3sc52622d","","","0.71075","MoKα","","0.2344","0.1079","","","0.2201","0.3123","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513730","8.5044","0.0001","19.248","0.0002","20.4545","0.0003","82.0704","0.0008","78.1032","0.0005","82.3308","0.0007","3225.9","0.07","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C90 H73 Cl -","- C90 H73 Cl -","- C180 H146 Cl2 -","2","1","","Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito","Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame","Chemical Science","2014","5","1","163","","10.1039/c3sc52622d","","","0.8","synchrotron","","","0.0673","","","","0.1817","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513731","17.177","0.003","19.182","0.003","24.723","0.004","90","","90","","90","","8146","2","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H33 B F6 N11 O6.5 Pd S2 -","- C36 H33 B F6 N11 O6.5 Pd S2 -","- C288 H264 B8 F48 N88 O52 Pd8 S16 -","8","1","","Brandt, Jochen R.; Lee, Eunsung; Boursalian, Gregory B.; Ritter, Tobias","Mechanism of Electrophilic Fluorination with Pd(IV): Fluoride Capture and Subsequent Oxidative Fluoride Transfer(.)","Chemical science (Royal Society of Chemistry : 2010)","2014","5","1","169","","10.1039/C3SC52367E","","","0.71073","MoKα","","0.0727","0.0495","","","0.1298","0.1474","","","","","","1.069","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513732","8.9819","0.0006","10.28","0.0009","13.008","0.0011","86.49","0.007","73.036","0.007","79.688","0.007","1130.21","0.16","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 N3 O5 -","- C24 H27 N3 O5 -","- C48 H54 N6 O10 -","2","1","","Zhang, Yan; Wu, Qifan; Cui, Sunliang","Rh(iii)-catalyzed C‒H activation‒desymmetrization of diazabicycles with arenes: facile synthesis of functionalized cyclopentenes","Chemical Science","2014","5","1","297","","10.1039/c3sc52524d","","","0.71073","MoKα","","0.0678","0.0448","","","0.0976","0.1118","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513733","21.462","0.011","10.226","0.005","19.538","0.01","90","","109.458","0.013","90","","4043","4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","cz_1_20120305","cz_1_20120305","","- C78 H18 -","- C78 H18 -","- C312 H72 -","4","1","","Cho, Namchul; Li, Chang-Zhi; Yip, Hin-Lap; Jen, Alex K.-Y.","In situ doping and crosslinking of fullerenes to form efficient and robust electron-transporting layers for polymer solar cells","Energy & Environmental Science","2014","7","2","638","","10.1039/c3ee42509f","","","0.71073","MoKα","","0.2784","0.1487","","","0.3398","0.4411","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513734","8.1254","0.0001","18.6567","0.0002","26.9854","0.0004","90","","96.5869","0.0006","90","","4063.8","0.09","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 Br6 N -","- C18 H9 Br6 N -","- C144 H72 Br48 N8 -","8","2","","Odom, Susan A.; Ergun, Selin; Poudel, Pramod P.; Parkin, Sean R.","A fast, inexpensive method for predicting overcharge performance in lithium-ion batteries","Energy & Environmental Science","2014","7","2","760","","10.1039/c3ee42305k","","","0.71073","MoKα","","0.091","0.0441","","","0.0628","0.0728","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513735","5.7951","0.0001","12.7103","0.0002","16.8547","0.0003","90","","90","","90","","1241.47","0.04","110","","110","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C5 H4 F6 Li N O7 S2 -","- C5 H4 F6 Li N O7 S2 -","- C20 H16 F24 Li4 N4 O28 S8 -","4","1","","McOwen, Dennis W.; Seo, Daniel M.; Borodin, Oleg; Vatamanu, Jenel; Boyle, Paul D.; Henderson, Wesley A.","Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms","Energy & Environmental Science","2014","7","1","416","","10.1039/c3ee42351d","","","0.71073","MoKα","","0.0395","0.0332","","","0.0743","0.077","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513736","8.729","0.003","14.045","0.005","16.041","0.006","90","","90","","90","","1966.6","1.2","110","","110","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C11 H12 F6 Li N O13 S2 -","- C11 H12 F6 Li N O13 S2 -","- C44 H48 F24 Li4 N4 O52 S8 -","4","1","","McOwen, Dennis W.; Seo, Daniel M.; Borodin, Oleg; Vatamanu, Jenel; Boyle, Paul D.; Henderson, Wesley A.","Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms","Energy & Environmental Science","2014","7","1","416","","10.1039/c3ee42351d","","","0.71073","MoKα","","0.073","0.0472","","","0.1138","0.1265","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513737","22.486","0.0007","16.5586","0.0005","28.6689","0.0011","90","","90","","90","","10674.5","0.6","90","0.1","90","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H48 N8 O9 S4 Zn2 -","- C57 H48 N8 O9 S4 Zn2 -","- C456 H384 N64 O72 S32 Zn16 -","8","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","1.54178","CuKα","","0.1322","0.0851","","","0.224","0.2581","","","","","","1.079","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513738","7.1289","0.0009","7.1436","0.001","13.037","0.002","82.538","0.004","83.524","0.004","61.968","0.004","580.05","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.0694","0.0435","","","0.0951","0.1063","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513739","7.5968","0.0002","8.3252","0.0002","11.0399","0.0003","97.196","0.002","108.876","0.002","110.229","0.002","597.4","0.03","90","0.1","90","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N3 O2 S -","- C13 H11 N3 O2 S -","- C26 H22 N6 O4 S2 -","2","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.0675","0.0528","","","0.1341","0.1432","","","","","","0.991","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513740","8.805","0.0008","18.3583","0.0016","9.8145","0.0008","90","","92.016","0.005","90","","1585.5","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.0935","0.0427","","","0.0899","0.11","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513741","12.1889","0.0005","8.9564","0.0004","20.1062","0.0009","90","","90","","90","","2194.97","0.17","100","0.2","100","0.2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C104 H96 O24 -","8","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.052","0.0382","","","0.0942","0.1022","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513742","12.0704","0.0006","8.6513","0.0004","14.245","0.0007","90","","107.286","0.001","90","","1420.34","0.12","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.0443","0.0343","","","0.0868","0.093","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513743","12.37","0.004","12.679","0.004","13.471","0.004","62.131","0.007","86.789","0.009","84.702","0.008","1859.6","1","90","0.2","90","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H33 Cu1.5 N6 O6 S3 -","- C42 H33 Cu1.5 N6 O6 S3 -","- C84 H66 Cu3 N12 O12 S6 -","2","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","1.54178","CuKα","","0.1338","0.0902","","","0.2456","0.3037","","","","","","1.08","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513744","15.7028","0.0018","25.796","0.003","24.222","0.003","90","","99.532","0.003","90","","9676","2","90","0.1","90","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 Fe N7 O7 S3 -","- C43.986 H37.992 Fe N6.998 O7 S2.998 -","- C351.888 H303.936 Fe8 N55.984 O56 S23.984 -","8","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.0874","0.0675","","","0.178","0.1876","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513745","15.522","0.014","11.509","0.01","15.025","0.013","90","","113.5","0.014","90","","2461","4","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 F6 N2 S2 -","- C27 H20 F6 N2 S2 -","- C108 H80 F24 N8 S8 -","4","1","","Ichikawa, Tomohiro; Morimoto, Masakazu; Irie, Masahiro","Asymmetric photoreaction of a diarylethene in hydrogen-bonded cocrystals with chiral molecules.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","199","204","10.1039/c3pp50239b","","","0.71073","MoKα","","0.1134","0.0686","","","0.147","0.1644","","","","","","0.999","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513746","11.2226","0.0006","14.6368","0.0007","14.7457","0.0007","82.159","0.002","68.326","0.002","88.858","0.003","2228.66","0.19","93","2","93","2","","","","","","","","6","P 1","P 1","1","","","","- C49 H37 F6 N3 O2 S2 -","- C49 H37 F6 N3 O2 S2 -","- C98 H74 F12 N6 O4 S4 -","2","2","","Ichikawa, Tomohiro; Morimoto, Masakazu; Irie, Masahiro","Asymmetric photoreaction of a diarylethene in hydrogen-bonded cocrystals with chiral molecules.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","199","204","10.1039/c3pp50239b","","","1.54178","CuKα","","0.0918","0.0873","","","0.2335","0.2442","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513747","11.203","0.0008","14.6411","0.0009","14.7813","0.0009","82.469","0.004","68.116","0.004","89.224","0.004","2228.7","0.3","98","2","98","2","","","","","","","","6","P 1","P 1","1","","","","- C49 H37 F6 N3 O2 S2 -","- C49 H37.5 F6 N3 O2 S2 -","- C98 H75 F12 N6 O4 S4 -","2","2","","Ichikawa, Tomohiro; Morimoto, Masakazu; Irie, Masahiro","Asymmetric photoreaction of a diarylethene in hydrogen-bonded cocrystals with chiral molecules.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","199","204","10.1039/c3pp50239b","","","1.54178","CuKα","","0.1601","0.1413","","","0.3994","0.4275","","","","","","1.704","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513748","13.9039","0.0012","8.8277","0.0008","16.789","0.0016","90","","93.294","0.006","90","","2057.3","0.3","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 O4 -","- C27 H24 O4 -","- C108 H96 O16 -","4","1","","Cheng, Su-Fang; Chen, Bin; Yang, Xiu-Jie; Luo, Lin; Zhang, Li-Ping; Wu, Li-Zhu; Tung, Chen-Ho","Synthesis of diastereometrically pure cubane-like photodimers from 2,4-pentanediyl-bis-2-naphthoates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","261","265","10.1039/c3pp50326g","","","0.71073","MoKα","","0.0482","0.0381","","","0.0955","0.1001","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513749","8.4099","0.0002","5.3783","0.0002","23.8999","0.0007","90","","100.092","0.002","90","","1064.29","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","2004uv02cj02b","","","- C26 H26 N2 O4 -","- C26 H26 N2 O4 -","- C52 H52 N4 O8 -","2","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","1.54178","CuKα","","0.0488","0.0479","","","0.1207","0.1222","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513750","7.821","0.0005","5.916","0.0003","22.9298","0.0012","90","","94.223","0.004","90","","1058.06","0.1","120","0.1","120","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O4 -","- C26 H26 N2 O4 -","- C52 H52 N4 O8 -","2","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","1.5418","CuKα","","0.0574","0.0502","","","0.1324","0.1391","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513751","5.6471","0.0002","8.0554","0.0004","45.153","0.002","90","","90","","90","","2053.99","0.15","120","0.1","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C96 H100 N4 O20 -","4","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","1.5418","CuKα","","0.0366","0.0339","","","0.0841","0.0862","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513752","4.9526","0.0003","10.2028","0.0006","10.7011","0.0007","92.352","0.004","94.615","0.004","96.777","0.004","534.51","0.06","120","0.1","120","0.1","","","","","","","","4","P 1","P 1","1","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C24 H27 N O6 -","1","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","1.5418","CuKα","","0.0588","0.0523","","","0.1505","0.1619","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513753","5.4293","0.0004","8.998","0.0006","39.35","0.003","90","","90","","90","","1922.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","0.71073","MoKα","","0.0617","0.0451","","","0.1046","0.1179","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513754","7.5041","0.0004","5.1979","0.0003","24.164","0.0013","90","","92.664","0.003","90","","941.51","0.09","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N3 O4 -","- C21 H22 N3 O4 -","- C42 H44 N6 O8 -","2","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","1.5418","CuKα","","0.051","0.0497","","","0.1262","0.1271","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513755","9.0125","0.0003","11.4927","0.0004","16.4078","0.0006","90","","103.974","0.003","90","","1649.19","0.1","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","211","223","10.1039/c3pp50196e","","","1.54178","CuKα","","0.0637","0.0593","","","0.189","0.196","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513756","11.023","0.0002","15.0169","0.0003","17.9072","0.0003","90","","101.637","0.002","90","","2903.27","0.09","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H30 N2 O -","- C39 H30 N2 O -","- C156 H120 N8 O4 -","4","1","","Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","211","223","10.1039/c3pp50196e","","","1.54178","CuKα","","0.0625","0.0506","","","0.1374","0.1562","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513757","15.5952","0.0005","13.4176","0.0005","8.2215","0.0002","90","","90","","90","","1720.35","0.09","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","1","","Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","211","223","10.1039/c3pp50196e","","","1.54178","CuKα","","0.0467","0.0407","","","0.0995","0.1053","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513758","10.6616","0.0002","20.7812","0.0003","13.207","0.0003","90","","110.46","0.002","90","","2741.56","0.1","250","2","250","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 N2 -","- C37 H26 N2 -","- C148 H104 N8 -","4","1","","Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","211","223","10.1039/c3pp50196e","","","1.54178","CuKα","","0.0572","0.0461","","","0.1252","0.1369","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513759","16.0572","0.0004","13.6979","0.0003","17.9652","0.0004","90","","90","","90","","3951.44","0.16","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C216 H144 N16 -","8","1","","Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","211","223","10.1039/c3pp50196e","","","1.54178","CuKα","","0.0658","0.0497","","","0.131","0.1466","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513760","11.7562","0.0004","16.1045","0.0004","17.9894","0.0004","91.242","0.002","100.219","0.002","104.494","0.003","3237.37","0.16","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C41.5 H27 Cl N2 -","- C41.5 H27 Cl N2 -","- C166 H108 Cl4 N8 -","4","2","","Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","211","223","10.1039/c3pp50196e","","","0.71073","MoKα","","0.1474","0.1122","","","0.3451","0.3657","","","","","","2.337","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513761","5.0173","0.0005","14.9931","0.0014","18.012","0.002","90","","93.897","0.007","90","","1351.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C68 H48 O12 S4 -","4","1","","Jindal, Pooja; Bhatia, Rimpy; Khullar, Sadhika; Mandal, Sanjay K.; Kamboj, Ramesh C.","One-shot photochemical synthesis of 5-(thiophen-3-yl)pyrano[2,3-c]chromen-2(3H)-ones from 3-propynyloxy-chromenones: a case of an intramolecular Paterno-Buchi reaction.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","3","488","491","10.1039/c3pp50396h","","","0.71073","MoKα","","0.1001","0.0526","","","0.139","0.1733","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513762","11.7926","0.0008","9.4147","0.0006","14.555","0.001","90","","101.906","0.001","90","","1581.19","0.18","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C34 H33 Cl3 N2 Pd -","- C34 H33 Cl3 N2 Pd -","- C68 H66 Cl6 N4 Pd2 -","2","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wei, Zhenhong; Chen, Yiwang","Substituent effects and activation mechanism of norbornene polymerization catalyzed by three-dimensional geometry α-diimine palladium complexes","Polymer Chemistry","2014","5","4","1210","","10.1039/c3py01092a","","","0.71073","MoKα","","0.0227","0.0213","","","0.0564","0.0575","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513763","12.0765","0.001","19.5745","0.0017","12.7667","0.0011","90","","90.899","0.001","90","","3017.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Cl N2 Pd -","- C35 H35 Cl N2 Pd -","- C140 H140 Cl4 N8 Pd4 -","4","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wei, Zhenhong; Chen, Yiwang","Substituent effects and activation mechanism of norbornene polymerization catalyzed by three-dimensional geometry α-diimine palladium complexes","Polymer Chemistry","2014","5","4","1210","","10.1039/c3py01092a","","","0.71073","MoKα","","0.0367","0.0324","","","0.1213","0.1274","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513764","9.4659","0.0009","18.1651","0.0017","18.9183","0.0017","68.501","0.001","75.588","0.001","84.629","0.001","2931.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C119 H90 Cl18 N8 Pd4 -","- C119 H90 Cl18 N8 Pd4 -","- C119 H90 Cl18 N8 Pd4 -","1","0.5","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wei, Zhenhong; Chen, Yiwang","Substituent effects and activation mechanism of norbornene polymerization catalyzed by three-dimensional geometry α-diimine palladium complexes","Polymer Chemistry","2014","5","4","1210","","10.1039/c3py01092a","","","0.71073","MoKα","","0.0948","0.0632","","","0.1963","0.2247","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513765","14.3465","0.0004","14.4684","0.0004","14.5968","0.0004","66.44","0.001","68.64","0.002","86.12","0.002","2575.74","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Fe2 Ru Si2 -","- C32 H30 Fe2 Ru Si2 -","- C128 H120 Fe8 Ru4 Si8 -","4","2","","Erhard, Maximilian; Lam, Kevin; Haddow, Mairi; Whittell, George R.; Geiger, William E.; Manners, Ian","Polyferrocenylsilane homopolymers and diblock copolymers with pendant ruthenocenyl groups by photocontrolled ring-opening polymerisation","Polymer Chemistry","2014","5","4","1264","","10.1039/c3py01232h","","","0.71073","MoKα","","0.0287","0.022","","","0.0496","0.0526","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513766","12.4947","0.0004","8.9461","0.0003","31.2176","0.0009","90","","100.039","0.002","90","","3436.04","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Fe Ru Si -","- C21 H20 Fe Ru Si -","- C168 H160 Fe8 Ru8 Si8 -","8","2","","Erhard, Maximilian; Lam, Kevin; Haddow, Mairi; Whittell, George R.; Geiger, William E.; Manners, Ian","Polyferrocenylsilane homopolymers and diblock copolymers with pendant ruthenocenyl groups by photocontrolled ring-opening polymerisation","Polymer Chemistry","2014","5","4","1264","","10.1039/c3py01232h","","","0.71073","MoKα","","0.0515","0.0402","","","0.1067","0.111","","","","","","1.207","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513767","7.1295","0.0003","8.9916","0.0004","7.2907","0.0003","90","","109.503","0.002","90","","440.56","0.03","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H9 Br Ru -","- C10 H9 Br Ru -","- C20 H18 Br2 Ru2 -","2","0.5","","Erhard, Maximilian; Lam, Kevin; Haddow, Mairi; Whittell, George R.; Geiger, William E.; Manners, Ian","Polyferrocenylsilane homopolymers and diblock copolymers with pendant ruthenocenyl groups by photocontrolled ring-opening polymerisation","Polymer Chemistry","2014","5","4","1264","","10.1039/c3py01232h","","","0.71073","MoKα","","0.0188","0.0165","","","0.0349","0.0353","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513768","11.7629","0.0002","25.0523","0.0005","21.7142","0.0004","90","","92.779","0.007","90","","6391.4","0.2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H49 Cl3 N9 P3 -","- C73 H49 Cl3 N9 P3 -","- C292 H196 Cl12 N36 P12 -","4","1","","Nishimoto, Takuro; Yasuda, Takuma; Lee, Sae Youn; Kondo, Ryosuke; Adachi, Chihaya","A six-carbazole-decorated cyclophosphazene as a host with high triplet energy to realize efficient delayed-fluorescence OLEDs","Materials Horizons","2014","1","2","264","","10.1039/c3mh00079f","","","0.71075","MoKα","","","0.064","","","","0.1884","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513769","9.837","0.0007","9.5017","0.0006","10.7087","0.0008","90","","107.165","0.008","90","","956.34","0.12","298","2","298","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","1","","Parrott, Edward P. J.; Tan, Nicholas Y.; Hu, Rongrong; Zeitler, J. Axel; Tang, Ben Zhong; Pickwell-MacPherson, Emma","Direct evidence to support the restriction of intramolecular rotation hypothesis for the mechanism of aggregation-induced emission: temperature resolved terahertz spectra of tetraphenylethene","Materials Horizons","2014","1","2","251","","10.1039/c3mh00078h","","x-ray","1.5418","CuKα","","0.0523","0.0486","","","0.1273","0.132","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513770","23.0127","0.0011","9.31","0.0005","19.0897","0.0009","90","","126.337","0.001","90","","3294.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H17 Au F P -","- C19.5 H17 Au F P -","- C156 H136 Au8 F8 P8 -","8","1","","Wolf, William J.; Winston, Matthew S.; Toste, F. Dean","Exceptionally fast carbon-carbon bond reductive elimination from gold(III).","Nature chemistry","2014","6","2","159","164","10.1038/nchem.1822","","","0.71073","MoKα","","0.0123","0.0122","","","0.0322","0.0322","","","","","","1.213","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513771","8.8394","0.0008","16.1038","0.0014","22.1064","0.0019","90","","100.248","0.004","90","","3096.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Au2 Cl4 N P2 -","- C25 H23 Au2 Cl4 N P2 -","- C100 H92 Au8 Cl16 N4 P8 -","4","1","","Wolf, William J.; Winston, Matthew S.; Toste, F. Dean","Exceptionally fast carbon-carbon bond reductive elimination from gold(III).","Nature chemistry","2014","6","2","159","164","10.1038/nchem.1822","","","0.71073","MoKα","","0.0652","0.0426","","","0.0915","0.0981","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513772","16.1721","0.0008","10.6985","0.0006","18.0543","0.001","90","","98.385","0.002","90","","3090.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 Au2 F2 P2 -","- C37 H30 Au2 F2 P2 -","- C148 H120 Au8 F8 P8 -","4","0.5","","Wolf, William J.; Winston, Matthew S.; Toste, F. Dean","Exceptionally fast carbon-carbon bond reductive elimination from gold(III).","Nature chemistry","2014","6","2","159","164","10.1038/nchem.1822","","","0.71073","MoKα","","0.0124","0.0117","","","0.0283","0.0287","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513773","13.442","0.0003","8.1038","0.0002","20.1572","0.0005","90","","104.261","0.001","90","","2128.08","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 Cl N2 O3 S -","- C22 H31 Cl N2 O3 S -","- C88 H124 Cl4 N8 O12 S4 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0315","0.0276","","","0.0715","0.0735","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513774","20.4107","0.0007","8.6349","0.0003","16.7557","0.0006","90","","90","","90","","2953.1","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C128 H216 N8 O16 -","8","2","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0239","0.0239","","","0.0617","0.0617","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513775","9.7778","0.0006","8.0904","0.0005","18.01","0.0011","90","","94.851","0.002","90","","1419.6","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.1082","0.1081","","","0.2422","0.2422","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513776","7.867","0.0003","9.1892","0.0004","10.2943","0.0004","110.964","0.001","109.591","0.001","90.081","0.001","648.44","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C28 H46 N2 O6 -","2","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0314","0.0313","","","0.0767","0.0768","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513777","7.238","0.004","11.592","0.006","20.28","0.011","90","","90","","90","","1701.6","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O3 -","- C19 H26 N2 O3 -","- C76 H104 N8 O12 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","0.71073","MoKα","","0.0486","0.0446","","","0.1039","0.1055","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513778","9.717","0.005","7.555","0.004","23.041","0.012","90","","99.168","0.008","90","","1669.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Br N O3 -","- C18 H20 Br N O3 -","- C72 H80 Br4 N4 O12 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","0.71073","MoKα","","0.0504","0.0393","","","0.0911","0.0981","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513779","15.7732","0.0006","8.3002","0.0003","15.3015","0.0006","90","","111.867","0.002","90","","1859.15","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Br N O4 -","- C20 H26 Br N O4 -","- C80 H104 Br4 N4 O16 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0765","0.0744","","","0.1857","0.1868","","","","","","1.147","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513780","12.5683","0.0004","17.2","0.0006","9.5705","0.0003","90","","91.062","0.001","90","","2068.55","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Br N2 O2 -","- C22 H31 Br N2 O2 -","- C88 H124 Br4 N8 O8 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0239","0.0234","","","0.0597","0.06","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513781","8.1628","0.0003","11.2261","0.0004","18.4027","0.0006","90.626","0.001","100.074","0.001","93.553","0.001","1656.76","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","2","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0345","0.0341","","","0.0842","0.0844","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513782","8.5052","0.0003","15.5856","0.0006","19.9392","0.0008","101.084","0.001","100.283","0.002","90.24","0.001","2550.12","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C120 H162 N6 O12 -","6","3","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0519","0.0502","","","0.159","0.1611","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513783","9.3311","0.0004","10.7524","0.0005","10.8992","0.0006","116.238","0.002","94.799","0.002","96.792","0.002","962.57","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 N3 O5 S -","- C20 H27 N3 O5 S -","- C40 H54 N6 O10 S2 -","2","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.032","0.0303","","","0.0822","0.0834","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513784","8.6602","0.0003","11.241","0.0004","12.9622","0.0005","90","","94.253","0.001","90","","1258.39","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C56 H92 N4 O8 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","1.54178","CuKα","","0.0333","0.0331","","","0.0788","0.0789","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513785","8.3047","0.0009","7.7059","0.0006","25.706","0.003","90","","98.62","0.005","90","","1626.5","0.3","93","","93","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Mizoguchi, Haruki; Oikawa, Hideaki; Oguri, Hiroki","Biogenetically inspired synthesis and skeletal diversification of indole alkaloids.","Nature chemistry","2014","6","1","57","64","10.1038/nchem.1798","","","0.71075","MoKα","","","0.0399","","","","0.1072","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513786","8.3426","0.0004","8.7981","0.0004","27.0612","0.0012","90","","94.54","0.002","90","","1980.03","0.16","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","","Mizoguchi, Haruki; Oikawa, Hideaki; Oguri, Hiroki","Biogenetically inspired synthesis and skeletal diversification of indole alkaloids.","Nature chemistry","2014","6","1","57","64","10.1038/nchem.1798","","","1.54187","CuKα","","0.1517","0.073","","","0.1833","0.2598","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513787","11.0525","0.0017","27.518","0.004","11.4121","0.0017","90","","94.477","0.003","90","","3460.3","0.9","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N3 O6 S -","- C23 H23 N3 O6 S -","- C138 H138 N18 O36 S6 -","6","3","","Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi","Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.","Nature chemistry","2014","6","1","47","51","10.1038/nchem.1796","","","0.71073","MoKα","","0.039","0.0377","","","0.0993","0.1009","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513788","7.704","0.002","12.588","0.003","26.614","0.007","90","","90","","90","","2581","1.1","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N3 O6 S -","- C28 H25 N3 O6 S -","- C112 H100 N12 O24 S4 -","4","1","","Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi","Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.","Nature chemistry","2014","6","1","47","51","10.1038/nchem.1796","","","0.71073","MoKα","","0.0463","0.0451","","","0.1223","0.1235","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513789","10.901","0.002","11.15","0.002","18.652","0.004","90","","90","","90","","2267.1","0.8","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O8 S -","- C22 H23 N3 O8 S -","- C88 H92 N12 O32 S4 -","4","1","","Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi","Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.","Nature chemistry","2014","6","1","47","51","10.1038/nchem.1796","","","0.71073","MoKα","","0.0357","0.0344","","","0.0873","0.0884","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513790","11.1674","0.0003","10.4372","0.0003","16.4146","0.0012","90","","90","","90","","1913.23","0.16","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H16 F6 N3 P Ru -","- C17 H16 F6 N3 P Ru -","- C68 H64 F24 N12 P4 Ru4 -","4","1","","Li, Le; Herzon, Seth B.","Temporal separation of catalytic activities allows anti-Markovnikov reductive functionalization of terminal alkynes.","Nature chemistry","2014","6","1","22","27","10.1038/nchem.1799","","","0.71075","MoKα","","0.0221","0.0212","","","0.0482","0.0485","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513791","23.9712","0.0005","10.7966","0.0003","25.4621","0.0005","90","","95.78","0.002","90","","6556.3","0.3","142.9","","142.9","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H66 Cl6 O4 Os P3 S -","- C70 H66 Cl6 O4 Os P3 S -","- C280 H264 Cl24 O16 Os4 P12 S4 -","4","1","","Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping","Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums.","Nature communications","2014","5","","3265","","10.1038/ncomms4265","","","0.71073","MoKα","","0.0439","0.0325","","","0.0668","0.0705","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513792","18.4337","0.0003","19.2879","0.0003","20.2958","0.0004","90","","97.813","0.001","90","","7149.1","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64.5 H57 Al2 Cl12 O3 Os P3 -","- C64.5 H57 Al2 Cl12 O3 Os P3 -","- C258 H228 Al8 Cl48 O12 Os4 P12 -","4","1","","Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping","Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums.","Nature communications","2014","5","","3265","","10.1038/ncomms4265","","","0.71073","MoKα","","0.0585","0.0478","","","0.1448","0.151","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513793","12.6439","0.0002","21.0196","0.0004","21.9093","0.0004","90","","96.0021","0.0007","90","","5790.91","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H58 Cl3 O5 Os P3 -","- C66 H58 Cl3 O5 Os P3 -","- C264 H232 Cl12 O20 Os4 P12 -","4","1","","Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping","Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums.","Nature communications","2014","5","","3265","","10.1038/ncomms4265","","","0.71073","MoKα","","0.0401","0.0338","","","0.0855","0.0881","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513794","11.6307","0.0005","12.5277","0.0005","33.4761","0.0014","90","","90","","90","","4877.7","0.4","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 F5 Si3 -","- C21 H29 F5 Si3 -","- C168 H232 F40 Si24 -","8","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0495","0.0426","","","0.119","0.1254","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513795","11.6585","0.0007","12.5084","0.0007","33.328","0.002","90","","90","","90","","4860.2","0.5","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H31 F5 Si3 -","- C21 H31 F5 Si3 -","- C168 H248 F40 Si24 -","8","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0373","0.0334","","","0.091","0.0937","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513796","19.1914","0.001","10.6017","0.0005","23.3513","0.0012","90","","90","","90","","4751.1","0.4","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H29 F5 Si3 -","- C21 H29 F5 Si3 -","- C168 H232 F40 Si24 -","8","2","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.033","0.0282","","","0.0636","0.0664","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513797","9.6564","0.0003","11.3871","0.0004","12.9349","0.0004","72.1","","81.25","","79.77","","1324.69","0.07","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H33 F5 Si3 -","- C25 H33 F5 Si3 -","- C50 H66 F10 Si6 -","2","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0331","0.0294","","","0.0777","0.0804","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513798","5.6548","0.0014","27.587","0.007","8.526","0.002","90","","95.291","0.005","90","","1324.4","0.6","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N5 O7 -","- C11 H15 N5 O7 -","- C44 H60 N20 O28 -","4","2","","Zhao, Hang; Guo, Xiurong; He, Shiliang; Zeng, Xin; Zhou, Xinglong; Zhang, Chaoliang; Hu, Jing; Wu, Xiaohua; Xing, Zhihua; Chu, Liangyin; He, Yang; Chen, Qianming","Complex self-assembly of pyrimido[4,5-d]pyrimidine nucleoside supramolecular structures.","Nature communications","2014","5","","3108","","10.1038/ncomms4108","","","0.71073","MoKα","","0.0387","0.0344","","","0.0895","0.0921","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513799","4.9116","0.0006","8.8528","0.0014","13.96","0.0017","105.332","0.006","93.529","0.004","91.847","0.003","583.54","0.14","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C11 H13 N5 O5 -","- C11 H13 N5 O5 -","- C22 H26 N10 O10 -","2","2","","Zhao, Hang; Guo, Xiurong; He, Shiliang; Zeng, Xin; Zhou, Xinglong; Zhang, Chaoliang; Hu, Jing; Wu, Xiaohua; Xing, Zhihua; Chu, Liangyin; He, Yang; Chen, Qianming","Complex self-assembly of pyrimido[4,5-d]pyrimidine nucleoside supramolecular structures.","Nature communications","2014","5","","3108","","10.1038/ncomms4108","","","0.71073","MoKα","","0.0732","0.0515","","","0.1172","0.1289","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513800","17.9227","0.0013","5.0106","0.0003","20.9309","0.0016","90","","114.168","0.009","90","","1714.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Li, Zhanxian; Liu, Xingjiang; Zhao, Wanying; Wang, Sheng; Zhou, Wan; Wei, Liuhe; Yu, Mingming","Naked-eye detection of c1-c4 alcohols based on ground-state intramolecular proton transfer.","Analytical chemistry","2014","86","5","2521","2525","10.1021/ac403550t","","","0.71073","MoKα","","0.1035","0.0548","","","0.1243","0.1503","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513801","9.6767","0.0007","13.3568","0.001","14.8222","0.0011","90","","90","","90","","1915.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Cl N5 O2 -","- C21 H22 Cl N5 O2 -","- C84 H88 Cl4 N20 O8 -","4","1","","Xu, Renbo; Xia, Rui; Luo, Ming; Xu, Xiaoyong; Cheng, Jiagao; Shao, Xusheng; Li, Zhong","Design, Synthesis, Crystal Structures, and Insecticidal Activities of Eight-Membered Azabridge Neonicotinoid Analogues.","Journal of agricultural and food chemistry","2014","62","2","381","","10.1021/jf4046683","","","0.71073","MoKα","","0.0367","0.0331","","","0.0844","0.087","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513802","28.087","0.0013","11.9998","0.0006","10.9846","0.0006","90","","90.761","0.002","90","","3701.9","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","BMS-791325","(4bS,5aR)-12-cyclohexyl-N-(N,N-dimethylsulfamoyl)-3-methoxy-5a-((1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl) -4b,5,5a,6-tetrahydrobenzo[3,4]cyclopropa[5,6]azepino[1,2-a]indole-9-carboxamide","","- C36 H46 Cl N5 O6 S -","- C36 H46 Cl N5 O6 S -","- C144 H184 Cl4 N20 O24 S4 -","4","1","","Gentles, Robert G.; Ding, Min; Bender, John A.; Bergstrom, Carl P.; Grant-Young, Katharine; Hewawasam, Piyasena; Hudyma, Thomas; Martin, Scott; Nickel, Andrew; Regueiro-Ren, Alicia; Tu, Yong; Yang, Zhong; Yeung, Kap-Sun; Zheng, Xiaofan; Chao, Sam; Sun, Jung-Hui; Beno, Brett R.; Camac, Daniel M.; Chang, Chong-Hwan; Gao, Mian; Morin, Paul E.; Sheriff, Steven; Tredup, Jeff; Wan, John; Witmer, Mark R.; Xie, Dianlin; Hanumegowda, Umesh; Knipe, Jay; Mosure, Kathy; Santone, Kenneth S.; Parker, Dawn D.; Zhuo, Xiaoliang; Lemm, Julie; Liu, Mengping; Pelosi, Lenore; Rigat, Karen; Voss, Stacey; Wang, Yi; Wang, Ying-Kai; Colonno, Richard J.; Gao, Min; Roberts, Susan B.; Gao, Qi; Ng, Alicia; Meanwell, Nicholas A.; Kadow, John F.","Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase.","Journal of medicinal chemistry","2014","57","5","1855","1879","10.1021/jm4016894","","","0.71073","MoKα","","0.1184","0.0709","","","0.1723","0.2065","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513803","14.115","0.012","18.546","0.016","28.97","0.03","90","","102.032","0.009","90","","7417","12","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H68 N4 O37.63 S4 -","- C64 H68 N4 O37.625 S4 -","- C256 H272 N16 O150.5 S16 -","4","2","","Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu","Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution.","The journal of physical chemistry. B","2014","118","9","2433","2441","10.1021/jp4110008","","","0.71075","MoKα","","0.1432","0.092","","","0.2105","0.2501","","","","","","0.917","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513804","8.3143","0.0017","14.653","0.003","30.316","0.006","77.39","0.03","89.28","0.03","87.12","0.03","3599.7","1.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H84.5 N4 O30.25 S4 -","- C68 H68 N4 O30.25 S4 -","- C136 H136 N8 O60.5 S8 -","2","1","","Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu","Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution.","The journal of physical chemistry. B","2014","118","9","2433","2441","10.1021/jp4110008","","","0.71073","MoKα","","0.0979","0.0796","","","0.2219","0.237","","","","","","1.055","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513805","31.15","0.006","16.287","0.003","14.681","0.003","90","","90","","90","","7448","3","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C64 H90 N4 O34 S4 -","- C64 H66 N4 O34 S4 -","- C256 H264 N16 O136 S16 -","4","1","","Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu","Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution.","The journal of physical chemistry. B","2014","118","9","2433","2441","10.1021/jp4110008","","","0.71073","MoKα","","0.0742","0.0697","","","0.1952","0.2011","","","","","","1.08","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513806","12.4443","0.0006","12.4443","0.0006","13.0384","0.0006","90","","90","","120","","1748.62","0.14","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H24 O12 Si8 -","- C8 H24 O12 Si8 -","- C24 H72 O36 Si24 -","3","0.166667","","Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.","Structure and Dynamics of Octamethyl-POSS Nanoparticles","The Journal of Physical Chemistry C","2014","118","10","5579","","10.1021/jp412228r","powder diffraction","neutron","","","","","","","","","","","","","","","","","","","has coordinates","288070","2023-12-06","12:47:43",""
"1513807","12.3948","0.0006","12.3948","0.0006","12.8871","0.0006","90","","90","","120","","1714.61","0.14","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H24 O12 Si8 -","- C8 H24 O12 Si8 -","- C24 H72 O36 Si24 -","3","0.166667","","Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.","Structure and Dynamics of Octamethyl-POSS Nanoparticles","The Journal of Physical Chemistry C","2014","118","10","5579","","10.1021/jp412228r","powder diffraction","neutron","","","","","","","","","","","","","","","","","","","has coordinates","288070","2023-12-06","12:48:01",""
"1513808","12.4109","0.00007","12.4109","0.00007","12.99059","0.00011","90","","90","","120","","1732.87","0.02","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H24 O12 Si8 -","- C8 H24 O12 Si8 -","- C24 H72 O36 Si24 -","3","0.166667","","Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.","Structure and Dynamics of Octamethyl-POSS Nanoparticles","The Journal of Physical Chemistry C","2014","118","10","5579","","10.1021/jp412228r","powder diffraction","neutron","","","","","","","","","","","","","","","","","","","has coordinates","288070","2023-12-06","12:48:20",""
"1513809","12.3959","0.0005","12.3959","0.0005","12.9208","0.0005","90","","90","","120","","1719.4","0.12","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H24 O12 Si8 -","- C8 H24 O12 Si8 -","- C24 H72 O36 Si24 -","3","0.166667","","Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.","Structure and Dynamics of Octamethyl-POSS Nanoparticles","The Journal of Physical Chemistry C","2014","118","10","5579","","10.1021/jp412228r","powder diffraction","neutron","","","","","","","","","","","","","","","","","","","has coordinates","288070","2023-12-06","12:48:28",""
"1513810","12.5077","0.0007","12.5077","0.0007","13.0995","0.0007","90","","90","","120","","1774.76","0.17","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H24 O12 Si8 -","- C8 H24 O12 Si8 -","- C24 H72 O36 Si24 -","3","0.166667","","Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K.","Structure and Dynamics of Octamethyl-POSS Nanoparticles","The Journal of Physical Chemistry C","2014","118","10","5579","","10.1021/jp412228r","powder diffraction","neutron","","","","","","","","","","","","","","","","","","","has coordinates","288070","2023-12-06","12:48:42",""
"1513811","17.462","0.004","6.347","0.0013","13.727","0.003","90","","110.83","0.03","90","","1421.9","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 F N O2 S -","- C15 H20 F N O2 S -","- C60 H80 F4 N4 O8 S4 -","4","1","","Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi","Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.","Organic letters","2014","16","5","1442","1445","10.1021/ol500238k","","","0.71073","MoKα","","0.0415","0.0345","","","0.0973","0.1017","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513812","10.3289","0.0019","12.271","0.002","27.811","0.005","90","","90","","90","","3524.9","1.1","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H17 F4 N O2 S -","- C18 H17 F2.719 N O2 S -","- C144 H136 F21.752 N8 O16 S8 -","8","1","","Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi","Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.","Organic letters","2014","16","5","1442","1445","10.1021/ol500238k","","","0.71073","MoKα","","0.0558","0.0491","","","0.1283","0.134","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513813","6.189","0.001","12.134","0.0014","19.64","0.007","90","","94.544","0.005","90","","1470.3","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 F N O2 S -","- C15 H22 F N O2 S -","- C60 H88 F4 N4 O8 S4 -","4","1","","Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi","Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.","Organic letters","2014","16","5","1442","1445","10.1021/ol500238k","","","0.71075","MoKα","","0.0514","0.0382","","","0.0973","0.1001","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513814","6.1325","0.001","7.0271","0.0012","34.947","0.004","90","","90.605","0.004","90","","1505.9","0.4","113","2","113","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C17 H18 F N O2 S -","- C17 H18 F N O2 S -","- C68 H72 F4 N4 O8 S4 -","4","2","","Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi","Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.","Organic letters","2014","16","5","1442","1445","10.1021/ol500238k","","","0.71075","MoKα","","0.0446","0.04","","","0.0972","0.1013","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513815","6.28","0.0008","19.188","0.002","12.903","0.0015","90","","96.84","0.005","90","","1543.8","0.3","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 F N O2 S -","- C14.76 H21.4 F0.88 N O2 S -","- C59.04 H85.6 F3.52 N4 O8 S4 -","4","1","","Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi","Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.","Organic letters","2014","16","5","1442","1445","10.1021/ol500238k","","","0.71075","MoKα","","0.0638","0.0421","","","0.1027","0.1136","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513816","7.6488","0.0011","16.8386","0.0013","17.921","0.0019","90","","90","","90","","2308.1","0.4","293","2","293","2","","","","","","","","6","P 2 21 21","P 2bc 2","18","","","","- C20 H20 Cl F3 N2 O5 -","- C20 H16 Cl F3 N2 O3 -","- C80 H64 Cl4 F12 N8 O12 -","4","1","","Chen, Qiao; Wang, Guoqiang; Jiang, Xianxing; Xu, Zhaoqing; Lin, Li; Wang, Rui","Highly enantioselective organocatalyzed vinylogous Michael-type reaction for the construction of trifluoromethylated all-carbon quaternary stereocenters.","Organic letters","2014","16","5","1394","1397","10.1021/ol500157b","","","0.71073","MoKα","","0.1738","0.1035","","","0.2653","0.3379","","","","","","0.961","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513817","13.1171","0.0008","13.503","0.0008","22.5774","0.0013","95.97","0.003","100.719","0.003","115.78","0.003","3459.9","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","HG82D","","- C21 H16 B F4 N3 -","- C21 H16 B F4 N3 -","- C168 H128 B8 F32 N24 -","8","4","","Alawode, Olajide E.; Naganaboina, Vijaya Kumar; Liyanage, Thakshila; Desper, John; Rayat, Sundeep","One-pot cascade approach to phenanthridine-fused quinazoliniminiums from heteroenyne-allenes.","Organic letters","2014","16","5","1494","1497","10.1021/ol500314x","","","0.71073","MoKα","","0.1198","0.068","","","0.1589","0.1873","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513818","11.0318","0.0006","6.8167","0.0003","21.8563","0.0011","90","","94.287","0.002","90","","1639.01","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","II-VKN-91","","- C20 H14 B F4 N3 -","- C20 H14 B F4 N3 -","- C80 H56 B4 F16 N12 -","4","1","","Alawode, Olajide E.; Naganaboina, Vijaya Kumar; Liyanage, Thakshila; Desper, John; Rayat, Sundeep","One-pot cascade approach to phenanthridine-fused quinazoliniminiums from heteroenyne-allenes.","Organic letters","2014","16","5","1494","1497","10.1021/ol500314x","","","0.71073","MoKα","","0.0566","0.0461","","","0.1328","0.1422","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513819","15.1901","0.0005","5.6134","0.0002","39.9231","0.0017","90","","93.453","0.003","90","","3398","0.2","100","","100","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C32 H50 N2 O3 S -","- C32 H50 N2 O3 S -","- C128 H200 N8 O12 S4 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Shah, Rushabh S.; Thompson, Amber L.; Thomson, James E.","(-)-(2S,3R,Z)-Nakinadine A: First Asymmetric Synthesis and Absolute Configuration Assignment.","Organic letters","2014","16","5","1354","1357","10.1021/ol500096r","","","0.6889","synchrotron","","0.0767","0.0672","","0.2067","0.1881","0.2067","","","","","","1.0026","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513820","7.618","0.005","8.981","0.005","18.678","0.012","90","","93.644","0.01","90","","1275.3","1.4","373","2","373","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","2","","Zhang, Dewu; Ge, Hanlin; Zou, Jian-Hua; Tao, Xiaoyu; Chen, Ridao; Dai, Jungui","Periconianone A, a New 6/6/6 Carbocyclic Sesquiterpenoid from Endophytic Fungus Periconia sp. with Neural Anti-inflammatory Activity.","Organic letters","2014","16","5","1410","1413","10.1021/ol500197x","","","1.54178","CuKα","","0.0422","0.0414","","","0.101","0.1021","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513821","15.769","0.012","27.12","0.02","11.319","0.009","90","","90","","90","","4841","6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C44.4 H34.4 Cl7.2 N4 O8 S2 -","- C44.4 H34 Cl7.2 N4 O8 S2 -","- C177.6 H136 Cl28.8 N16 O32 S8 -","4","1","","Ema, Tadashi; Okuda, Keiichi; Watanabe, Sagiri; Yamasaki, Takayuki; Minami, Tsuyoshi; Esipenko, Nina A.; Anzenbacher, Jr, Pavel","Selective anion sensing by chiral macrocyclic receptors with multiple hydrogen-bonding sites","Organic Letters","2014","16","5","1302","1305","10.1021/ol403643d","","","0.71075","MoKα","","0.0626","0.0601","","","0.1639","0.1665","","","","","","1.091","","","","has coordinates,has disorder","218602","2020-10-21","18:00:00",""
"1513822","10.0375","0.001","41.669","0.003","10.5117","0.0009","90","","110.473","0.004","90","","4118.8","0.6","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H37 N7 O10 -","- C46 H37 N7 O10 -","- C184 H148 N28 O40 -","4","2","","Ema, Tadashi; Okuda, Keiichi; Watanabe, Sagiri; Yamasaki, Takayuki; Minami, Tsuyoshi; Esipenko, Nina A.; Anzenbacher, Jr, Pavel","Selective anion sensing by chiral macrocyclic receptors with multiple hydrogen-bonding sites","Organic Letters","2014","16","5","1302","1305","10.1021/ol403643d","","","0.71075","MoKα","","","0.0503","","","","0.1151","","","","","","1.072","","","","has coordinates","218602","2020-10-21","18:00:00",""
"1513823","11.6577","0.0002","12.319","0.0002","18.3198","0.0003","90","","90","","90","","2630.93","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 O11 -","- C29 H34 O11 -","- C116 H136 O44 -","4","1","","Shi, Yi-Ming; Yang, Jie; Xu, Li; Li, Xiao-Nian; Shang, Shan-Zhai; Cao, Peng; Xiao, Wei-Lie; Sun, Han-Dong","Structural Characterization and Antioxidative Activity of Lancifonins: Unique Nortriterpenoids from Schisandra lancifolia.","Organic letters","2014","16","5","1370","1373","10.1021/ol5001186","","","1.54178","CuKα","","0.0278","0.0277","","","0.0688","0.0689","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513824","10.9599","0.0015","12.1631","0.0017","14.371","0.002","102.481","0.002","108.708","0.002","101.479","0.002","1695.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H25 Cl O9 -","- C42 H25 Cl O9 -","- C84 H50 Cl2 O18 -","2","1","","Shu, Wen-Ming; Ma, Jun-Rui; Yang, Yan; Wu, An-Xin","An Efficient Synthesis of Novel Fused Cycloheptatrienes through Mn(II)-Mediated Formal Intermolecular [2 + 2 + 2 + 1] Cycloaddition.","Organic letters","2014","16","5","1286","1289","10.1021/ol500202q","","","0.71073","MoKα","","0.063","0.0504","","","0.1497","0.1654","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513825","8.47047","0.0001","14.19176","0.00018","21.8094","0.0003","90","","90","","90","","2621.73","0.06","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 O6 -","- C28 H42 O6 -","- C112 H168 O24 -","4","1","","Xue, Jinghua; Wu, Ping; Xu, Liangxiong; Wei, Xiaoyi","Penicillitone, a Potent in Vitro Anti-inflammatory and Cytotoxic Rearranged Sterol with an Unusual Tetracycle Core Produced by Penicillium purpurogenum.","Organic letters","2014","16","5","1518","1521","10.1021/ol500418f","","","1.54184","CuKα","","0.0318","0.0307","","","0.0783","0.0793","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513826","7.1144","0.0005","26.573","0.002","9.7522","0.0007","90","","101.267","0.002","90","","1808.1","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 Br F2 O3 Si Zn -","- C10 H23 Br F2 O3 Si Zn -","- C40 H92 Br4 F8 O12 Si4 Zn4 -","4","1","","Kosobokov, Mikhail D.; Levin, Vitalij V.; Zemtsov, Artem A.; Struchkova, Marina I.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Dilman, Alexander D.","Geminal Silicon/Zinc Reagent as an Equivalent of Difluoromethylene Bis-carbanion.","Organic letters","2014","16","5","1438","1441","10.1021/ol5002297","","","0.71073","MoKα","","0.123","0.0491","","","0.1115","0.142","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513827","4.62","0.0001","14.0234","0.0003","15.5359","0.0004","99.0404","0.0015","95.4568","0.0014","99.291","0.002","973.48","0.04","99","2","99","2","","","","","","","","4","P -1","-P 1","2","C12-QNDT-CN","","","- C44 H54 N4 S2 -","- C44 H54 N4 S2 -","- C44 H54 N4 S2 -","1","0.5","","Mori, Takamichi; Yanai, Naoyuki; Osaka, Itaru; Takimiya, Kazuo","Quinoidal Naphtho[1,2-b:5,6-b']dithiophenes for Solution-Processed n-Channel Organic Field-Effect Transistors.","Organic letters","2014","16","5","1334","1337","10.1021/ol5000567","","","1.54187","CuKα","","0.1009","0.0692","","","0.1628","0.2009","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513828","12.674","0.0002","18.0944","0.0003","21.0316","0.0003","90","","92.142","0.001","90","","4819.77","0.13","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","Kinghorn 1937","","","- C28 H30 O7 -","- C28 H30 O7 -","- C224 H240 O56 -","8","2","","Bueno Pérez, Lynette; Pan, Li; Muñoz Acuña, Ulyana; Li, Jie; Chai, Hee-Byung; Gallucci, Judith C.; Ninh, Tran Ngoc; Carcache de Blanco, Esperanza J.; Soejarto, Djaja D.; Kinghorn, A. Douglas","Caeruleanone A, a Rotenoid with a New Arrangement of the D-Ring from the Fruits of Millettia caerulea.","Organic letters","2014","16","5","1462","1465","10.1021/ol500266z","","x-ray","0.71073","MoKα","","0.0725","0.0428","","","0.1012","0.114","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513829","9.2285","0.0004","12.5843","0.0005","12.7057","0.0005","99.428","0.002","109.693","0.002","94.741","0.002","1355.32","0.1","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C23 H40 I N O5 Si2 -","- C23 H40 I N O5 Si2 -","- C46 H80 I2 N2 O10 Si4 -","2","2","","Coste, Alexis; Bayle, Alexandre; Marrot, Jérome; Evano, Gwilherm","A Convergent Synthesis of the Fully Elaborated Macrocyclic Core of TMC-95A.","Organic letters","2014","16","5","1306","1309","10.1021/ol403675c","","","0.71073","MoKα","","0.0185","0.0173","","","0.043","0.0607","","","","","","1.213","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513830","9.373","0.003","12.818","0.005","27.701","0.011","90","","90","","90","","3328","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H49 I N2 O6 Si2 -","- C28 H49 I N2 O6 Si2 -","- C112 H196 I4 N8 O24 Si8 -","4","1","","Coste, Alexis; Bayle, Alexandre; Marrot, Jérome; Evano, Gwilherm","A Convergent Synthesis of the Fully Elaborated Macrocyclic Core of TMC-95A.","Organic letters","2014","16","5","1306","1309","10.1021/ol403675c","","","0.71073","MoKα","","0.0296","0.0253","","","0.069","0.0793","","","","","","1.273","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513831","15.6616","0.0006","36.288","0.0012","19.8167","0.0007","90","","93.443","0.002","90","","11242.1","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H38 I N O5 Si2 -","- C23 H38 I N O5 Si2 -","- C368 H608 I16 N16 O80 Si32 -","16","8","","Coste, Alexis; Bayle, Alexandre; Marrot, Jérome; Evano, Gwilherm","A Convergent Synthesis of the Fully Elaborated Macrocyclic Core of TMC-95A.","Organic letters","2014","16","5","1306","1309","10.1021/ol403675c","","","0.71073","MoKα","","0.1305","0.0744","","","0.1857","0.2164","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513832","12.036","0.002","16.67","0.003","24.484","0.005","89.4","0.03","85.2","0.03","83.07","0.03","4859.5","1.6","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C46.5 H62 N8 O8 -","- C46.5 H62 N8 O8 -","- C186 H248 N32 O32 -","4","2","","Tron, Arnaud; Thornton, Peter J.; Rocher, Mathias; Jacquot de Rouville, Henri-Pierre; Desvergne, Jean-Pierre; Kauffmann, Brice; Buffeteau, Thierry; Cavagnat, Dominique; Tucker, James H. R.; McClenaghan, Nathan D.","Formation of a hydrogen-bonded barbiturate [2]-rotaxane.","Organic letters","2014","16","5","1358","1361","10.1021/ol500099u","","","1.54178","CuKα","","0.2336","0.1779","","","0.3994","0.4302","","","","","","1.512","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513833","8.90819","0.00016","9.29032","0.00017","48.8609","0.0009","90","","90","","90","","4043.72","0.13","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 Br I N O -","- C23 H19 Br I N O -","- C184 H152 Br8 I8 N8 O8 -","8","2","","Tabata, Hidetsugu; Kayama, Susumu; Takahashi, Yuka; Tani, Norihiko; Wakamatsu, Shintaro; Tasaka, Tomohiko; Oshitari, Tetsuta; Natsugari, Hideaki; Takahashi, Hideyo","A complete gear system in N-benzoyl-carbazole derivatives.","Organic letters","2014","16","5","1514","1517","10.1021/ol500417t","","","1.54187","CuKα","","","0.0471","","","","0.0856","","","","","","1.268","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513834","9.87619","0.00018","13.817","0.0003","15.2234","0.0003","90","","90","","90","","2077.37","0.07","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 Br I N O -","- C23 H19 Br I N O -","- C92 H76 Br4 I4 N4 O4 -","4","1","","Tabata, Hidetsugu; Kayama, Susumu; Takahashi, Yuka; Tani, Norihiko; Wakamatsu, Shintaro; Tasaka, Tomohiko; Oshitari, Tetsuta; Natsugari, Hideaki; Takahashi, Hideyo","A complete gear system in N-benzoyl-carbazole derivatives.","Organic letters","2014","16","5","1514","1517","10.1021/ol500417t","","","1.54187","CuKα","","","0.0392","","","","0.0811","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513835","35.727","0.0013","13.896","0.0003","19.912","0.0008","90","","116.668","0.001","90","","8834","0.5","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C46 H55 Cl3 N3 O P S2 -","- C46 H55 Cl3 N3 O P S2 -","- C368 H440 Cl24 N24 O8 P8 S16 -","8","2","","He, Xiaoming; Lin, Jian-Bin; Kan, Wang Hay; Trudel, Simon; Baumgartner, Thomas","Synthesis and properties of cholesteric click-phospholes.","Organic letters","2014","16","5","1366","1369","10.1021/ol500129p","","","0.71073","MoKα","","0.1163","0.0824","","","0.2221","0.2672","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513836","14.477","0.0013","10.8678","0.0009","21.627","0.002","90","","122.78","0.006","90","","2860.8","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetraguaninium decatungstate acetonitrile tetrahydrate","Tetraguaninium di-mu5-oxo-icosa-mu-oxo-decaoxodecatungstate acetonitrile tetrahydrate","","- C22 H37 N20 O41 W10 -","- C22 H27 N21 O41 W10 -","- C44 H54 N42 O82 W20 -","2","0.5","","Kulikov, Vladislav; Meyer, Gerd","Polyoxotungstates in Molecular Boxes of Purine Bases","Crystals","2014","4","1","64","","10.3390/cryst4010064","","","0.71073","MoKα","","0.0612","0.0434","","","0.1103","0.1316","","","","","","1.073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513837","16.81","0.003","13.0514","0.0019","15.675","0.003","90","","109.73","0.013","90","","3237.1","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ditheobrominium hexatungstate dihydrate","Ditheobrominium μ6-oxo-dodeca-μ-oxo-hexaoxohexatungstate(VI) dihydrate","","- C14 H22 N8 O25 W6 -","- C14 H18 N8 O25 W6 -","- C56 H72 N32 O100 W24 -","4","0.5","","Kulikov, Vladislav; Meyer, Gerd","Polyoxotungstates in Molecular Boxes of Purine Bases","Crystals","2014","4","1","64","","10.3390/cryst4010064","","","0.71073","MoKα","","0.1037","0.0361","","","0.0628","0.0745","","","","","","0.75","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513838","13.4905","0.0012","15.1707","0.0014","17.0692","0.0017","79.594","0.008","89.386","0.008","70.001","0.007","3223.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Hydronium tritheobrominium decatungstate trihydrate","Hydronium tritheobrominium di-mu5-oxo-icosa-mu-oxo-decaoxodecatungstate hemipentadecahydrate","","- C21 H45 N12 O46.5 W10 -","- C21 H27 N12 O46.5 W10 -","- C42 H54 N24 O93 W20 -","2","1","","Kulikov, Vladislav; Meyer, Gerd","Polyoxotungstates in Molecular Boxes of Purine Bases","Crystals","2014","4","1","64","","10.3390/cryst4010064","","","0.71073","MoKα","","0.059","0.0347","","","0.0847","0.095","","","","","","0.882","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513839","20.0613","0.0013","6.9855","0.0006","38.187","0.003","90","","102.741","0.002","90","","5219.7","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,3-bis(2,6-diisopropylphenyl)-2-phosphinylidene-2,3-dihydro-1H-imidazole","1,3-bis(2,6-diisopropylphenyl)-2-phosphinylidene-2,3-dihydro-1H-imidazole","","- C27 H37 N2 P -","- C27 H37 N2 P -","- C216 H296 N16 P8 -","8","1","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","0.71073","MoKα","","0.0633","0.0461","","","0.141","0.1543","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513840","17.0305","0.0012","21.4738","0.0009","16.7809","0.0011","90","","115.996","0.003","90","","5516","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[1,3-bis(1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2-ylidene)triphosphin-2-ium]Chloride","","","- C58 H80 Cl N4 O P3 -","- C58 H80 Cl N4 O P3 -","- C232 H320 Cl4 N16 O4 P12 -","4","1","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","0.71073","MoKα","","0.0733","0.0441","","","0.1103","0.1329","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513841","22.3995","0.0003","12.1255","0.0002","29.5997","0.0005","90","","90.82","0.001","90","","8038.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","di(N,N bis(2,6 diisopropylphenyl) imidazolium) chloride bis(trimethylsilyl)heptaphosphide tritetrahydrofuran","di(N,N bis(2,6 diisopropylphenyl) imidazolium) chloride bis(trimethylsilyl)heptaphosphide tritetrahydrofuran","","- C72 H116 Cl N4 O3 P7 Si2 -","- C72 H116 Cl N4 O3 P7 Si2 -","- C288 H464 Cl4 N16 O12 P28 Si8 -","4","1","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","x-ray","0.71073","MoKα","","0.0704","0.0456","","","0.1153","0.1249","","","","","","1.311","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513842","11.9151","0.0002","13.5428","0.0002","15.8914","0.0003","85.68","0.001","89.601","0.001","79.255","0.001","2512.11","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1,3-bis(1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2(3H)-ylidene)triphosphinyl","","","- C54 H72 N4 P3 -","- C54 H72 N4 P3 -","- C108 H144 N8 P6 -","2","1","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","0.71073","MoKα","","0.0837","0.0465","","","0.1027","0.118","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513843","24.928","0.0012","14.103","0.0007","17.8654","0.0008","90","","92.468","0.002","90","","6274.9","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[bis((1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2-ylidene)phosphino)arsinium]Chloride","","","- C66 H96 As Cl N4 O3 P2 -","- C66 H96 As Cl N4 O3 P2 -","- C264 H384 As4 Cl4 N16 O12 P8 -","4","0.5","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","0.71073","MoKα","","0.062","0.0414","","","0.094","0.1053","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513844","10.2682","0.0006","42.469","0.003","24.23","0.0012","90","","92.756","0.002","90","","10554","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","arsenyl[bis((1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2-ylidene)phosphine)]","","","- C54 H72 As N4 P2 -","- C54 H72 As N4 P2 -","- C432 H576 As8 N32 P16 -","8","2","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","0.71073","MoKα","","0.0852","0.0456","","","0.0842","0.1004","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513845","23.6782","0.0011","18.3268","0.0009","29.7342","0.0014","90","","103.981","0.001","90","","12520.8","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H78 N4 O4 P6 -","- C60 H78 N4 O4 P6 -","- C480 H624 N32 O32 P48 -","8","2","","Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg","Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals","Chemical Science","2014","5","4","1545","","10.1039/c3sc53140f","","","1.54178","CuKα","","0.064","0.0457","","","0.0971","0.1073","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513846","20.729","0.001","16.7382","0.0008","13.9693","0.0007","90","","93.679","0.002","90","","4836.9","0.4","200","2","200","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","Gandelman-58 (Yuri)","","","- C39 H40 Cl4 F6 N3 O6 P2 Pt S2 -","- C39 H40 Cl4 F6 N3 O6 P2 Pt S2 -","- C156 H160 Cl16 F24 N12 O24 P8 Pt4 S8 -","4","0.5","","Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark","Cation‒cation bonding in nitrenium metal complexes","Chemical Science","2014","5","4","1305","","10.1039/c3sc53083c","","","0.71073","MoKα","","0.0403","0.0293","","","0.0762","0.0798","","","","","","1.257","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513847","13.778","0.0003","14.772","0.0003","17.476","0.0004","84.622","0.001","82.6","0.001","83.819","0.001","3495.21","0.13","293","2","293","2","","","","","","","","9","P -1","-P 1","2","Gandelman-157 (Yuri)","","","- C60 H61 F12 K N3 O13 P3 Pt S4 -","- C60 H61 F12 K N3 O13 P3 Pt S4 -","- C120 H122 F24 K2 N6 O26 P6 Pt2 S8 -","2","1","","Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark","Cation‒cation bonding in nitrenium metal complexes","Chemical Science","2014","5","4","1305","","10.1039/c3sc53083c","","","0.71073","MoKα","","0.0622","0.0461","","","0.1347","0.1886","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513848","13.854","0.002","22.376","0.003","19.553","0.003","90","","109.609","0.004","90","","5709.8","1.4","240","2","240","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Gandelman-155 (Saha)","","","- C48 H64 F12 N3 O3.5 P4 Rh -","- C48 H64 F12 N3 O3.5 P4 Rh -","- C192 H256 F48 N12 O14 P16 Rh4 -","4","1","","Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark","Cation‒cation bonding in nitrenium metal complexes","Chemical Science","2014","5","4","1305","","10.1039/c3sc53083c","","","0.71073","MoKα","","0.1002","0.0729","","","0.22","0.2551","","","","","","1.075","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513849","26.8737","0.0003","12.5922","0.0002","16.0468","0.0001","90","","120.726","0.001","90","","4667.93","0.11","120","2","120","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 Cl5 F6 N3 O6 P2 Pt S2 -","- C38 H40 Cl5 F6 N3 O6 P2 Pt S2 -","- C152 H160 Cl20 F24 N12 O24 P8 Pt4 S8 -","4","0.5","","Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark","Cation‒cation bonding in nitrenium metal complexes","Chemical Science","2014","5","4","1305","","10.1039/c3sc53083c","","","0.71073","MoKα","","0.033","0.0299","","","0.077","0.0788","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513850","15.7239","0.0007","17.5295","0.0008","23.5911","0.001","90","","106.188","0.002","90","","6244.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C120 H126 F24 N6 O4 P10 Rh2 -","- C120 H126 F23.996 N6 O4 P10 Rh2 -","- C240 H252 F47.992 N12 O8 P20 Rh4 -","2","0.5","","Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark","Cation‒cation bonding in nitrenium metal complexes","Chemical Science","2014","5","4","1305","","10.1039/c3sc53083c","","","0.71073","MoKα","","0.1031","0.0693","","","0.1739","0.1936","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513851","11.2305","0.0006","12.1307","0.0007","13.8812","0.0008","97.683","0.001","111.479","0.001","105.007","0.001","1643.89","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H44 Ca2 F12 N12 O16 S4 -","- C56 H44 Ca2 F12 N12 O16 S4 -","- C56 H44 Ca2 F12 N12 O16 S4 -","1","0.5","","Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie","A light-induced reversible phase separation and its coupling to a dynamic library of imines","Chemical Science","2014","5","4","1475","","10.1039/c3sc53130a","","","0.71073","MoKα","","0.1359","0.11","","","0.2875","0.3117","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513852","13.9231","0.0009","13.4981","0.0009","15.7366","0.0007","90","","104.682","0.003","90","","2860.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Ca Cl2 N8 O -","- C26 H30 Ca Cl2 N8 O -","- C104 H120 Ca4 Cl8 N32 O4 -","4","1","","Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie","A light-induced reversible phase separation and its coupling to a dynamic library of imines","Chemical Science","2014","5","4","1475","","10.1039/c3sc53130a","","","0.71073","MoKα","","0.1228","0.0568","","","0.1499","0.191","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513853","8.8738","0.0009","10.2258","0.001","11.11","0.0011","92.066","0.002","98.016","0.002","100.127","0.002","980.84","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H10 Ca F6 N4 O6 S2 -","- C13 H10 Ca F6 N4 O6 S2 -","- C26 H20 Ca2 F12 N8 O12 S4 -","2","1","","Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie","A light-induced reversible phase separation and its coupling to a dynamic library of imines","Chemical Science","2014","5","4","1475","","10.1039/c3sc53130a","","","0.71073","MoKα","","0.0742","0.0528","","","0.1336","0.1409","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513854","11.208","0.002","19.89","0.004","18.423","0.004","90","","96.346","0.004","90","","4081.8","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H29 Ca Cl2 N12 O8 -","- C33 H29 Ca Cl2 N12 O8 -","- C132 H116 Ca4 Cl8 N48 O32 -","4","0.5","","Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie","A light-induced reversible phase separation and its coupling to a dynamic library of imines","Chemical Science","2014","5","4","1475","","10.1039/c3sc53130a","","","0.71073","MoKα","","0.1083","0.079","","","0.2021","0.213","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513855","12.8935","0.0013","14.4392","0.0014","18.0468","0.0018","92.81","0.002","107.021","0.002","114.714","0.002","2861","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H57 Ca2 N15 O8 -","- C58 H57 Ca2 N15 O8 -","- C116 H114 Ca4 N30 O16 -","2","1","","Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie","A light-induced reversible phase separation and its coupling to a dynamic library of imines","Chemical Science","2014","5","4","1475","","10.1039/c3sc53130a","","","0.71073","MoKα","","0.2651","0.1083","","","0.1285","0.1647","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513856","7.5169","0.0004","9.9819","0.0005","10.683","0.0005","113.158","0.001","90.038","0.001","98.162","0.001","728.12","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H20 Au Cl N4 O -","- C11 H20 Au Cl N4 O -","- C22 H40 Au2 Cl2 N8 O2 -","2","1","","Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming","Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]−","Chemical Science","2014","5","4","1348","","10.1039/c3sc52989d","","","1.54178","CuKα","","0.0386","0.0377","","","0.0998","0.1007","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513857","15.634","0.002","6.3008","0.0007","8.0648","0.001","90","","108.223","0.007","90","","754.59","0.16","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Au2 N6 -","- C12 H16 Au2 N6 -","- C24 H32 Au4 N12 -","2","0.25","","Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming","Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]−","Chemical Science","2014","5","4","1348","","10.1039/c3sc52989d","","","1.54178","CuKα","","0.0505","0.0484","","","0.1325","0.1359","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513858","9.3279","0.0004","17.2846","0.0007","6.7132","0.0003","90","","105.46","0.002","90","","1043.2","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Ag Au N6 -","- C20 H20 Ag Au N6 -","- C40 H40 Ag2 Au2 N12 -","2","0.5","","Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming","Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]−","Chemical Science","2014","5","4","1348","","10.1039/c3sc52989d","","","1.54178","CuKα","","0.067","0.0591","","","0.1707","0.1883","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513859","4.1212","0.0003","10.9295","0.0009","14.0406","0.001","67.288","0.004","81.57","0.003","89.986","0.004","575.98","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 Au0.5 Cl0.5 N2 O -","- C9 H10 Au0.5 Cl0.5 N2 O -","- C18 H20 Au Cl N4 O2 -","2","1","","Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming","Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]−","Chemical Science","2014","5","4","1348","","10.1039/c3sc52989d","","","1.54178","CuKα","","0.0945","0.0896","","","0.2217","0.2324","","","","","","1.096","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513860","8.802","0.0007","10.1477","0.0008","10.3699","0.0008","90","","114.98","0.002","90","","839.6","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 O2 P -","- C18 H23 O2 P -","- C36 H46 O4 P2 -","2","1","","Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J.","Consecutive dynamic resolutions of phosphine oxides","Chemical Science","2014","5","4","1322","","10.1039/c3sc52913d","","","0.71073","MoKα","","0.0461","0.0328","","","0.0737","0.0795","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513861","21.4308","0.0014","6.089","0.0004","13.0171","0.0008","90","","116.36","0.002","90","","1522.01","0.17","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H21 O2 P -","- C17 H21 O2 P -","- C68 H84 O8 P4 -","4","1","","Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J.","Consecutive dynamic resolutions of phosphine oxides","Chemical Science","2014","5","4","1322","","10.1039/c3sc52913d","","","0.71073","MoKα","","0.0446","0.0353","","","0.0729","0.0764","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513862","25.1525","0.0018","11.425","0.0004","7.5575","0.0003","90","","94.475","0.007","90","","2165.16","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O -","- C14 H11 N O -","- C112 H88 N8 O8 -","8","2","","Duan, Pingping; Yang, Yunfang; Ben, Rong; Yan, Yiyong; Dai, Lu; Hong, Mei; Wu, Yun-Dong; Wang, Dongqi; Zhang, Xinhao; Zhao, Jing","Palladium-catalyzed benzo[d]isoxazole synthesis by C‒H activation/[4 + 1] annulation","Chemical Science","2014","5","4","1574","","10.1039/c3sc53228c","","","1.54178","CuKα","","0.0701","0.0491","","","0.13","0.1466","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513863","23.9647","0.0014","23.9647","0.0014","23.9647","0.0014","90","","90","","90","","13763.1","1.4","296","2","296","2","","","","","","","","4","P 2 3","P 2 2 3","195","","","","- C33 H24.67 O13 Zn2.67 -","- C33 H24.67 O12.33 Zn2.44333 -","- C396 H296.04 O147.96 Zn29.32 -","12","1","","Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian","Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption","Chemical Science","2014","5","4","1368","","10.1039/c3sc52666f","","","0.71073","MoKα","","0.1705","0.0966","","","0.2585","0.2899","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513864","26.669","0.003","26.669","0.003","86.622","0.004","90","","90","","120","","53355","9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C49.5 H36 N0 O19 Zn4 -","- C49.5 H36 O19 Zn4 -","- C594 H432 O228 Zn48 -","12","0.333333","","Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian","Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption","Chemical Science","2014","5","4","1368","","10.1039/c3sc52666f","","","0.71069","MoKα","","0.1675","0.0403","","","0.078","0.0941","","","","","","0.7","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513865","13.0611","0.0005","16.5349","0.0007","22.6345","0.0009","90","","90","","90","","4888.2","0.3","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H51 Cr N3 P3 -","- C45 H51 Cr N3 P3 -","- C180 H204 Cr4 N12 P12 -","4","1","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0513","0.0385","","0.0874","0.0841","0.0874","","","","","","0.9617","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513866","20.6666","0.0003","20.6666","0.0003","20.6666","0.0003","90","","90","","90","","8826.9","0.2","120","","120","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C45 H51 Cr Fe I N3 P3 -","- C45 H51 Cr Fe I N3 P3 -","- C360 H408 Cr8 Fe8 I8 N24 P24 -","8","0.333333","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0682","0.0368","","0.0798","0.0702","0.0798","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513867","20.6768","0.0002","20.6768","0.0002","20.6768","0.0002","90","","90","","90","","8839.95","0.15","120","","120","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C45 H51 Co Cr I N3 P3 -","- C45 H51 Co Cr I N3 P3 -","- C360 H408 Co8 Cr8 I8 N24 P24 -","8","0.333333","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0397","0.0295","","0.0749","0.0639","0.0749","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513868","16.2739","0.0003","16.2739","0.0003","23.1328","0.0005","90","","90","","120","","5305.69","0.18","120","","120","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 Cr Fe N3 P4 -","- C48 H60 Cr Fe N3 P4 -","- C192 H240 Cr4 Fe4 N12 P16 -","4","0.333333","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0514","0.0323","","0.0985","0.0852","0.0985","","","","","","0.9917","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513869","16.2999","0.0006","16.2999","0.0006","22.8438","0.0009","90","","90","","120","","5256.2","0.3","120","","120","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 Co Cr N3 P4 -","- C48 H60 Co Cr N3 P4 -","- C192 H240 Co4 Cr4 N12 P16 -","4","0.333333","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0431","0.0306","","0.0968","0.0819","0.0968","","","","","","1.0465","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513870","10.7036","0.0003","22.2854","0.0006","22.5333","0.0006","61.763","0.001","81.327","0.001","87.515","0.001","4678.8","0.2","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H57 Cr Cu I N3 O0.75 P3 -","- C48 H57 Cr Cu I N3 O0.75 P3 -","- C192 H228 Cr4 Cu4 I4 N12 O3 P12 -","4","2","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0729","0.0533","","0.1193","0.1142","0.1193","","","","","","1.0135","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1513871","5.673","0.0011","8.3677","0.0017","31.795","0.006","90","","90","","90","","1509.3","0.5","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C68 H72 O8 S4 -","4","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71073","MoKα","","0.0925","0.0834","","","0.1875","0.1904","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513872","6.6316","0.0013","9.2654","0.0019","26.038","0.005","90","","90","","90","","1599.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 O5 P -","- C17 H17 O5 P -","- C68 H68 O20 P4 -","4","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71073","MoKα","","0.0458","0.0397","","","0.0908","0.0962","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513873","25.33","0.004","6.664","0.0008","16.09","0.002","90","","121.291","0.016","90","","2320.9","0.7","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H25 O5 P -","- C29 H25 O5 P -","- C116 H100 O20 P4 -","4","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71075","MoKα","","0.0814","0.063","","","0.129","0.1415","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513874","11.779","0.0013","17.451","0.002","13.849","0.0016","90","","110.544","0.004","90","","2665.7","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H83 O7 P -","- C56 H83 O7 P -","- C112 H166 O14 P2 -","2","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71075","MoKα","","0.0624","0.0524","","","0.0955","0.0999","","","","","","0.993","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513875","16.527","0.003","18.866","0.004","26.157","0.005","90","","90","","90","","8156","3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H66 Cl2 O19 P4 Rh2 -","- C70 H61 Cl2 O19 P4 Rh2 -","- C280 H244 Cl8 O76 P16 Rh8 -","4","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71073","MoKα","","0.0514","0.0481","","","0.1192","0.1213","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513876","12.9479","0.0005","12.9479","0.0005","16.3112","0.0005","90","","90","","120","","2368.18","0.15","122","1","122","1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C27 H27 Er N4 O3 -","- C27 H27 Er N4 O3 -","- C108 H108 Er4 N16 O12 -","4","0.333333","","Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan","Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation","Chemical Science","2014","5","4","1650","","10.1039/c3sc53044b","","","0.71073","MoKα","","0.0365","0.0203","","","","0.0472","","","","","","1.0199","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513877","13.0245","","13.0245","","11.15","0.08","90","","90","","120","","1638","12","122","1","122","1","","","","","","","","6","P -3","-P 3","147","","","","- C30 H30 Er I3 N4 O3 -","- C30 H30 Er I3 N4 O3 -","- C60 H60 Er2 I6 N8 O6 -","2","0.333333","","Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan","Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation","Chemical Science","2014","5","4","1650","","10.1039/c3sc53044b","","","0.71073","","","0.0959","0.0653","","","","0.1764","","","","","","1.1027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513878","12.5689","0.0004","15.0967","0.0005","14.9942","0.0005","90","","109.98","0.001","90","","2673.89","0.15","122","1","122","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Erbium-5-chlorotrensal","","","- C27 H24 Cl3 Er N4 O3 -","- C27 H24 Cl3 Er N4 O3 -","- C108 H96 Cl12 Er4 N16 O12 -","4","1","","Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan","Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation","Chemical Science","2014","5","4","1650","","10.1039/c3sc53044b","","","0.71073","","","0.0286","0.0204","","","0.0416","0.0459","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513879","9.489","0.005","10.75","0.005","13.644","0.005","90.055","0.005","94.092","0.005","111.778","0.005","1288.6","1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N4 O2 -","- C30 H29 N4 O2 -","- C60 H58 N8 O4 -","2","1","","Jia, Wenbin; Yang, Peng; Li, Junjie; Yin, Zhengmao; Kong, Lin; Lu, Hongbo; Ge, Zhishen; Wu, Yongzhong; Hao, Xiaopeng; Yang, Jiaxiang","Synthesis and characterization of a novel cyanostilbene derivative and its initiated polymers: aggregation-induced emission enhancement behaviors and light-emitting diode applications","Polymer Chemistry","2014","5","7","2282","","10.1039/c3py01550e","","","0.71069","MoKα","","0.1458","0.091","","","0.2662","0.3206","","","","","","1.018","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1513881","7.3964","0.0002","5.6779","0.0001","11.5445","0.0003","90","","90","","90","","484.82","0.02","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F5 Fe K2 -","- F5 Fe K2 -","- F20 Fe4 K8 -","4","0.5","","Le Bail, Armel","On two new K~2~FeF~5~ forms","Powder Diffraction","2014","29","1","33","41","10.1017/S0885715613001334","powder diffraction","","1.5418","CuKα","","","","","","","","","4.6781","1.755","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513882","13.0919","0.0002","5.7311","0.0001","7.3114","0.0001","90","","118.241","0.001","90","","483.281","0.014","296","","296","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- F5 Fe K2 -","- F5 Fe K2 -","- F20 Fe4 K8 -","4","0.5","","Le Bail, Armel","On two new K~2~FeF~5~ forms","Powder Diffraction","2014","29","1","33","41","10.1017/S0885715613001334","powder diffraction","","1.5418","CuKα","","","","","","","","","5.78","1.865","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513883","11.1961","0.001","12.9138","0.0011","14.3453","0.0012","81.2415","0.0015","75.9587","0.0017","68.5142","0.0015","1867.7","0.3","188","2","188","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H29.5 B2 Co F8 N6 O0.5 -","- C38 H29.5 B2 Co F8 N6 O0.5 -","- C76 H59 B4 Co2 F16 N12 O -","2","1","","Liu, Li; Zhang, Xu; Liu, Heng; Zhang, Xuequan; Sun, Guangping; Zhang, Hexin","Synthesis of cationic cobalt(II) complexes and their efficiency as catalysts for the polymerization of 1,3-butadiene","Inorganica Chimica Acta","2014","414","","8","14","10.1016/j.ica.2014.01.012","","","0.71073","MoKα","","0.0917","0.0666","","","0.1808","0.203","","","","","","1.007","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513884","10.3908","0.0008","10.6832","0.0009","19.3985","0.0016","87.055","0.001","75.488","0.001","71.841","0.001","1980","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H31 B2 Co F8 N8 -","- C31 H31 B2 Co F8 N8 -","- C62 H62 B4 Co2 F16 N16 -","2","1","","Liu, Li; Zhang, Xu; Liu, Heng; Zhang, Xuequan; Sun, Guangping; Zhang, Hexin","Synthesis of cationic cobalt(II) complexes and their efficiency as catalysts for the polymerization of 1,3-butadiene","Inorganica Chimica Acta","2014","414","","8","14","10.1016/j.ica.2014.01.012","","","0.71073","MoKα","","0.069","0.0552","","","0.1532","0.1612","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513885","10.7724","0.0007","10.8378","0.0007","10.9523","0.0007","85.642","0.001","84.435","0.001","78.643","0.001","1245.6","0.14","188","2","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 Cl2 Co N4 -","- C27 H23 Cl2 Co N4 -","- C54 H46 Cl4 Co2 N8 -","2","1","","Liu, Li; Zhang, Xu; Liu, Heng; Zhang, Xuequan; Sun, Guangping; Zhang, Hexin","Synthesis of cationic cobalt(II) complexes and their efficiency as catalysts for the polymerization of 1,3-butadiene","Inorganica Chimica Acta","2014","414","","8","14","10.1016/j.ica.2014.01.012","","","0.71073","MoKα","","0.0547","0.046","","","0.1157","0.1217","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513886","16.611","0.004","7.4997","0.0011","6.6052","0.0016","90","","96.612","0.019","90","","817.4","0.3","296","","296","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H12 N8 Ni Zn -","- C14 H12 N8 Ni Zn -","- C28 H24 N16 Ni2 Zn2 -","2","0.25","","Gör, Kansu; Kürkçüoğlu, Güneş Süheyla; Yeşilel, Okan Zafer; Büyükgüngör, Orhan","Syntheses, crystal structures and spectroscopic properties of cyano-bridged two-dimensional coordination polymers with 3-methylpyridazine","Inorganica Chimica Acta","2014","414","","15","20","10.1016/j.ica.2014.01.023","","","0.71073","MoKα","","0.0679","0.0466","","","0.0917","0.0982","","","","","","1.109","","","","has coordinates","192782","2020-10-21","18:00:00",""
"1513887","16.611","0.004","7.4997","0.0011","6.6052","0.0016","90","","96.612","0.019","90","","817.4","0.3","296","","296","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H12 Cd N8 Ni -","- C14 H12 Cd N8 Ni -","- C28 H24 Cd2 N16 Ni2 -","2","0.25","","Gör, Kansu; Kürkçüoğlu, Güneş Süheyla; Yeşilel, Okan Zafer; Büyükgüngör, Orhan","Syntheses, crystal structures and spectroscopic properties of cyano-bridged two-dimensional coordination polymers with 3-methylpyridazine","Inorganica Chimica Acta","2014","414","","15","20","10.1016/j.ica.2014.01.023","","","0.71073","MoKα","","0.0205","0.0194","","","0.0548","0.0557","","","","","","0.851","","","","has coordinates","192782","2020-10-21","18:00:00",""
"1513888","16.8405","0.0013","7.8819","0.0006","6.8858","0.0006","90","","98.692","0.006","90","","903.49","0.13","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H12 Cd N8 Pd -","- C14 H12 Cd N8 Pd -","- C28 H24 Cd2 N16 Pd2 -","2","0.25","","Gör, Kansu; Kürkçüoğlu, Güneş Süheyla; Yeşilel, Okan Zafer; Büyükgüngör, Orhan","Syntheses, crystal structures and spectroscopic properties of cyano-bridged two-dimensional coordination polymers with 3-methylpyridazine","Inorganica Chimica Acta","2014","414","","15","20","10.1016/j.ica.2014.01.023","","","0.71073","MoKα","","0.0235","0.017","","","0.0356","0.0369","","","","","","1.138","","","","has coordinates","192782","2020-10-21","18:00:00",""
"1513889","16.5772","0.0019","7.6763","0.0007","6.7095","0.0008","90","","96.446","0.009","90","","848.4","0.16","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H12 N8 Pd Zn -","- C14 H12 N8 Pd Zn -","- C28 H24 N16 Pd2 Zn2 -","2","0.25","","Gör, Kansu; Kürkçüoğlu, Güneş Süheyla; Yeşilel, Okan Zafer; Büyükgüngör, Orhan","Syntheses, crystal structures and spectroscopic properties of cyano-bridged two-dimensional coordination polymers with 3-methylpyridazine","Inorganica Chimica Acta","2014","414","","15","20","10.1016/j.ica.2014.01.023","","","0.71073","MoKα","","0.0206","0.0175","","","0.0397","0.0403","","","","","","1.168","","","","has coordinates","192782","2020-10-21","18:00:00",""
"1513890","16.5949","0.0013","7.6623","0.0005","6.7225","0.0005","90","","96.021","0.007","90","","850.08","0.11","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H12 N8 Pt Zn -","- C14 H12 N8 Pt Zn -","- C28 H24 N16 Pt2 Zn2 -","2","0.25","","Gör, Kansu; Kürkçüoğlu, Güneş Süheyla; Yeşilel, Okan Zafer; Büyükgüngör, Orhan","Syntheses, crystal structures and spectroscopic properties of cyano-bridged two-dimensional coordination polymers with 3-methylpyridazine","Inorganica Chimica Acta","2014","414","","15","20","10.1016/j.ica.2014.01.023","","","0.71073","MoKα","","0.0122","0.0122","","","0.0279","0.0279","","","","","","1.052","","","","has coordinates","192782","2020-10-21","18:00:00",""
"1513891","16.8396","0.0013","7.8749","0.0005","6.9033","0.0005","90","","98.057","0.006","90","","906.41","0.11","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H12 Cd N8 Pt -","- C14 H12 Cd N8 Pt -","- C28 H24 Cd2 N16 Pt2 -","2","0.25","","Gör, Kansu; Kürkçüoğlu, Güneş Süheyla; Yeşilel, Okan Zafer; Büyükgüngör, Orhan","Syntheses, crystal structures and spectroscopic properties of cyano-bridged two-dimensional coordination polymers with 3-methylpyridazine","Inorganica Chimica Acta","2014","414","","15","20","10.1016/j.ica.2014.01.023","","","0.71073","MoKα","","0.012","0.012","","","0.03","0.03","","","","","","1.075","","","","has coordinates","192782","2020-10-21","18:00:00",""
"1513892","8.693","0.003","9.234","0.003","16.569","0.006","90.565","0.006","104.378","0.007","112.942","0.006","1177.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Fe2 I2 O4 Si -","- C19 H18 Fe2 I2 O4 Si -","- C38 H36 Fe4 I4 O8 Si2 -","2","1","","Zhu, Bo-Lin; Hao, Xiao-Ting; Shi, Wei","Structures and reactivity of doubly-bridged dicyclopentadienyl dinuclear iron complexes","Inorganica Chimica Acta","2014","414","","21","26","10.1016/j.ica.2014.01.027","","","0.71073","MoKα","","0.1075","0.0522","","","0.0933","0.1115","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513893","19.536","0.006","9.562","0.003","14.828","0.005","90","","91.853","0.006","90","","2768.5","1.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl2 Fe2 O3 Si2 -","- C26 H26 Cl2 Fe2 O3 Si2 -","- C104 H104 Cl8 Fe8 O12 Si8 -","4","1","","Zhu, Bo-Lin; Hao, Xiao-Ting; Shi, Wei","Structures and reactivity of doubly-bridged dicyclopentadienyl dinuclear iron complexes","Inorganica Chimica Acta","2014","414","","21","26","10.1016/j.ica.2014.01.027","","","0.71073","MoKα","","0.1348","0.0753","","","0.1838","0.2271","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513894","14.927","0.003","9.3697","0.0018","15.002","0.004","90","","117.638","0.002","90","","1858.8","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Fe2 O4 Si2 -","- C18 H18 Fe2 O4 Si2 -","- C72 H72 Fe8 O16 Si8 -","4","0.5","","Zhu, Bo-Lin; Hao, Xiao-Ting; Shi, Wei","Structures and reactivity of doubly-bridged dicyclopentadienyl dinuclear iron complexes","Inorganica Chimica Acta","2014","414","","21","26","10.1016/j.ica.2014.01.027","","","0.71073","MoKα","","0.0256","0.0223","","","0.0562","0.0579","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513899","14.569","0.01","9.687","0.004","33.624","0.004","90","","106.47","0.02","90","","4551","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H65 B N4 Ni2 O7 -","- C45 H65 B N4 Ni2 O7 -","- C180 H260 B4 N16 Ni8 O28 -","4","1","","Mochizuki, Katsura; Takahashi, Junpei","Synthesis and structures of dinickel(II) complexes with a binucleating ligand, N,N'-bis[3-(N,N-dimethyl)aminopropyl]-N,N'-dimethyl-1,3-diamino-2-hydroxypropane (HL1), and investigation of carboxylic acid capture assisted by intramolecular hydrogen bonding","Inorganica Chimica Acta","2014","414","","27","32","10.1016/j.ica.2014.01.031","","","0.71073","MoKα","","0.1769","0.084","","","0.2161","0.2752","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513900","9.534","0.004","15.236","0.003","16.48","0.004","74.607","0.015","77.69","0.03","83.93","0.02","2251.9","1.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H61 B N4 Ni2 O5 -","- C43 H61 B N4 Ni2 O5 -","- C86 H122 B2 N8 Ni4 O10 -","2","1","","Mochizuki, Katsura; Takahashi, Junpei","Synthesis and structures of dinickel(II) complexes with a binucleating ligand, N,N'-bis[3-(N,N-dimethyl)aminopropyl]-N,N'-dimethyl-1,3-diamino-2-hydroxypropane (HL1), and investigation of carboxylic acid capture assisted by intramolecular hydrogen bonding","Inorganica Chimica Acta","2014","414","","27","32","10.1016/j.ica.2014.01.031","","","0.71073","MoKα","","0.1007","0.0611","","","0.1788","0.2098","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513901","10.932","0.0014","13.07","0.006","18.723","0.005","72.14","0.03","76.146","0.015","82.73","0.02","2468.1","1.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H71 B N4 Ni2 O7 -","- C48 H71 B N4 Ni2 O7 -","- C96 H142 B2 N8 Ni4 O14 -","2","1","","Mochizuki, Katsura; Takahashi, Junpei","Synthesis and structures of dinickel(II) complexes with a binucleating ligand, N,N'-bis[3-(N,N-dimethyl)aminopropyl]-N,N'-dimethyl-1,3-diamino-2-hydroxypropane (HL1), and investigation of carboxylic acid capture assisted by intramolecular hydrogen bonding","Inorganica Chimica Acta","2014","414","","27","32","10.1016/j.ica.2014.01.031","","","0.71073","MoKα","","0.1187","0.0637","","","0.1528","0.1906","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513902","19.727","0.006","12.982","0.004","22.528","0.008","90","","99.673","0.003","90","","5687","3","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H71 B N4 Ni2 O7 -","- C60 H71 B N4 Ni2 O7 -","- C240 H284 B4 N16 Ni8 O28 -","4","1","","Mochizuki, Katsura; Takahashi, Junpei","Synthesis and structures of dinickel(II) complexes with a binucleating ligand, N,N'-bis[3-(N,N-dimethyl)aminopropyl]-N,N'-dimethyl-1,3-diamino-2-hydroxypropane (HL1), and investigation of carboxylic acid capture assisted by intramolecular hydrogen bonding","Inorganica Chimica Acta","2014","414","","27","32","10.1016/j.ica.2014.01.031","","","0.71075","MoKα","","","0.056","","","","0.1685","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513903","12.192","0.007","12.855","0.007","15.418","0.009","87.75","0.03","86.166","0.019","67.343","0.009","2225","2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H60 B N3 Ni2 O7 -","- C43 H60 B N3 Ni2 O7 -","- C86 H120 B2 N6 Ni4 O14 -","2","1","","Mochizuki, Katsura; Takahashi, Junpei","Synthesis and structures of dinickel(II) complexes with a binucleating ligand, N,N'-bis[3-(N,N-dimethyl)aminopropyl]-N,N'-dimethyl-1,3-diamino-2-hydroxypropane (HL1), and investigation of carboxylic acid capture assisted by intramolecular hydrogen bonding","Inorganica Chimica Acta","2014","414","","27","32","10.1016/j.ica.2014.01.031","","","0.71075","MoKα","","","0.0425","","","","0.118","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513904","9.981","0.005","14.789","0.008","16.927","0.008","105.908","0.008","90.358","0.004","106.792","0.005","2291","2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H64 B N3 Ni2 O9 -","- C45 H64 B N3 Ni2 O9 -","- C90 H128 B2 N6 Ni4 O18 -","2","1","","Mochizuki, Katsura; Takahashi, Junpei","Synthesis and structures of dinickel(II) complexes with a binucleating ligand, N,N'-bis[3-(N,N-dimethyl)aminopropyl]-N,N'-dimethyl-1,3-diamino-2-hydroxypropane (HL1), and investigation of carboxylic acid capture assisted by intramolecular hydrogen bonding","Inorganica Chimica Acta","2014","414","","27","32","10.1016/j.ica.2014.01.031","","","0.71075","MoKα","","","0.0449","","","","0.1269","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513905","8.3712","0.0011","14.8036","0.0019","18.193","0.002","90","","90.475","0.002","90","","2254.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N3 O8 Re -","- C20 H14 N3 O7 Re -","- C80 H56 N12 O28 Re4 -","4","1","","Kasten, Benjamin B.; Ma, Xiaowei; Liu, Hongguang; Hayes, Thomas R.; Barnes, Charles L.; Qi, Shibo; Cheng, Kai; Bottorff, Shalina C.; Slocumb, Winston S.; Wang, Jing; Cheng, Zhen; Benny, Paul D.","Clickable, Hydrophilic Ligand for fac-[M(I)(CO)3](+) (M = Re/(99m)Tc) Applied in an S-Functionalized α-MSH Peptide.","Bioconjugate chemistry","2014","25","3","579","592","10.1021/bc5000115","","","0.71073","MoKα","","0.0244","0.0194","","","0.0467","0.048","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513906","11.695","0.002","18.236","0.003","13.348","0.002","90","","108.795","0.002","90","","2694.9","0.8","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 O6 -","- C36 H24 O6 -","- C144 H96 O24 -","4","1","","Gao, Qinghe; Wu, Xia; Liu, Shan; Wu, Anxin","I2-Promoted Selective Oxidative Cross-Coupling/Annulation of 2-Naphthols with Methyl Ketones: A Strategy To Build Naphtho[2,1-b]furan-1(2H)-ones with a Quaternary Center.","Organic letters","2014","16","6","1732","1735","10.1021/ol5004093","","","0.71073","MoKα","","0.0536","0.0428","","","0.1177","0.1255","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513907","22.141","0.003","9.7407","0.0014","18.082","0.004","90","","120.784","0.002","90","","3350.3","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 O3 S -","- C21 H16 O3 S -","- C168 H128 O24 S8 -","8","1","","Gao, Qinghe; Wu, Xia; Liu, Shan; Wu, Anxin","I2-Promoted Selective Oxidative Cross-Coupling/Annulation of 2-Naphthols with Methyl Ketones: A Strategy To Build Naphtho[2,1-b]furan-1(2H)-ones with a Quaternary Center.","Organic letters","2014","16","6","1732","1735","10.1021/ol5004093","","","0.71073","MoKα","","0.0585","0.0482","","","0.1398","0.1653","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513908","11.636","0.002","15.963","0.003","19.746","0.004","102.414","0.002","101.791","0.002","108.945","0.002","3235.3","1.1","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C75.32 H68.31 Cl1.98 N8 Ni2 O0.31 -","- C75.32 H68.31 Cl1.98 N8 Ni2 O0.312 -","- C150.64 H136.62 Cl3.96 N16 Ni4 O0.624 -","2","1","","Oda, Kazuma; Akita, Masanari; Hiroto, Satoru; Shinokubo, Hiroshi","Silylethynyl substituents as porphyrin protecting groups for solubilization and selectivity control.","Organic letters","2014","16","6","1818","1821","10.1021/ol500569b","","","0.71075","MoKα","","0.0733","0.0547","","","0.1527","0.1756","","","","","","1.13","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513909","10.0289","0.0012","11.1264","0.0013","24.23","0.003","90","","90","","90","","2703.7","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","arai39","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C120 H104 N8 O24 S8 -","8","2","","Arai, Takayoshi; Yamamoto, Yushi","Diversity-Oriented Asymmetric Catalysis (DOAC): Stereochemically Divergent Synthesis of Thiochromanes Using an Imidazoline-Aminophenol-Nickel-Catalyzed Michael/Henry Reaction.","Organic letters","2014","16","6","1700","1703","10.1021/ol500361w","","","0.71073","MoKα","","0.0532","0.04","","","0.0915","0.106","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513910","15.833","0.004","10.199","0.002","11.895","0.003","90","","90","","90","","1920.8","0.8","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H26 Cl N O5 -","- C19 H26 Cl N O5 -","- C76 H104 Cl4 N4 O20 -","4","1","","Ghavimi, Bahman; Magnus, Philip","Total synthesis of 8,14-dihydromorphinandienone alkaloids.","Organic letters","2014","16","6","1708","1711","10.1021/ol500368p","","","0.71073","MoKα","","0.0581","0.0478","","","0.1118","0.1169","","","","","","1.169","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513911","10.348","0.003","10.853","0.003","17.384","0.005","102.934","0.006","93.21","","103.857","0.006","1835","0.9","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O7 -","- C20 H21 N O7 -","- C80 H84 N4 O28 -","4","2","","Ghavimi, Bahman; Magnus, Philip","Total synthesis of 8,14-dihydromorphinandienone alkaloids.","Organic letters","2014","16","6","1708","1711","10.1021/ol500368p","","","0.71075","MoKα","","0.22","0.0839","","","0.1449","0.1902","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513912","7.8437","0.0015","13.259","0.002","16.12","0.002","90","","90","","90","","1676.5","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Ghavimi, Bahman; Magnus, Philip","Total synthesis of 8,14-dihydromorphinandienone alkaloids.","Organic letters","2014","16","6","1708","1711","10.1021/ol500368p","","","0.71075","MoKα","","0.0302","0.0289","","","0.0745","0.0753","","","","","","1.159","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513913","9.0867","0.0015","10.101","0.002","11.628","0.002","70.291","0.003","82.861","0.003","67.216","0.003","926.3","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C40 H46 N2 O14 -","2","1","","Ghavimi, Bahman; Magnus, Philip","Total synthesis of 8,14-dihydromorphinandienone alkaloids.","Organic letters","2014","16","6","1708","1711","10.1021/ol500368p","","","0.71073","MoKα","","0.0446","0.0406","","","0.106","0.1089","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513914","12.166","0.002","15.353","0.0003","19.159","0.0003","90","","97.195","0.004","90","","3550.4","0.6","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C152 H160 O48 -","8","2","","Ghavimi, Bahman; Magnus, Philip","Total synthesis of 8,14-dihydromorphinandienone alkaloids.","Organic letters","2014","16","6","1708","1711","10.1021/ol500368p","","","0.71075","MoKα","","0.2105","0.1042","","","0.2149","0.249","","","","","","1.355","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513915","9.626","0.004","15.695","0.006","12.703","0.005","90","","100.641","0.006","90","","1886.2","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl N O5 -","- C20 H26 Cl N O5 -","- C80 H104 Cl4 N4 O20 -","4","1","","Ghavimi, Bahman; Magnus, Philip","Total synthesis of 8,14-dihydromorphinandienone alkaloids.","Organic letters","2014","16","6","1708","1711","10.1021/ol500368p","","","0.71075","MoKα","","0.0563","0.0523","","","0.1201","0.1226","","","","","","1.199","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513916","7.407","0.002","11.2","0.003","17.505","0.005","90","","90","","90","","1452.2","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C64 H68 N12 O8 -","4","1","","Li, Qiong; Zhang, Shu-Yu; He, Gang; Ai, Zhaoyan; Nack, William A.; Chen, Gong","Copper-catalyzed carboxamide-directed ortho amination of anilines with alkylamines at room temperature.","Organic letters","2014","16","6","1764","1767","10.1021/ol500464x","","","0.71073","MoKα","","0.0542","0.0441","","","0.1114","0.1184","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513917","9.1774","0.001","9.9179","0.0011","18.81","0.002","89.777","0.002","88.17","0.002","88.491","0.002","1710.6","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C80 H76 N12 O8 -","4","2","","Li, Qiong; Zhang, Shu-Yu; He, Gang; Ai, Zhaoyan; Nack, William A.; Chen, Gong","Copper-catalyzed carboxamide-directed ortho amination of anilines with alkylamines at room temperature.","Organic letters","2014","16","6","1764","1767","10.1021/ol500464x","","","0.71073","MoKα","","0.1016","0.0589","","","0.1343","0.1533","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513918","7.071","0.003","11.759","0.004","17.021","0.006","90","","90","","90","","1415.3","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C60 H64 N16 O8 -","4","1","","Li, Qiong; Zhang, Shu-Yu; He, Gang; Ai, Zhaoyan; Nack, William A.; Chen, Gong","Copper-catalyzed carboxamide-directed ortho amination of anilines with alkylamines at room temperature.","Organic letters","2014","16","6","1764","1767","10.1021/ol500464x","","","0.71073","MoKα","","0.0547","0.046","","","0.11","0.1159","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513919","9.522","0.003","15.626","0.004","19.401","0.005","90","","92.289","0.005","90","","2884.4","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C120 H128 N32 O16 -","8","2","","Li, Qiong; Zhang, Shu-Yu; He, Gang; Ai, Zhaoyan; Nack, William A.; Chen, Gong","Copper-catalyzed carboxamide-directed ortho amination of anilines with alkylamines at room temperature.","Organic letters","2014","16","6","1764","1767","10.1021/ol500464x","","","0.71073","MoKα","","0.1518","0.1077","","","0.2676","0.2909","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513920","22.866","0.006","7.402","0.002","19.103","0.005","90","","101.646","0.004","90","","3166.7","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Br N3 O2 -","- C16 H16 Br N3 O2 -","- C128 H128 Br8 N24 O16 -","8","1","","Li, Qiong; Zhang, Shu-Yu; He, Gang; Ai, Zhaoyan; Nack, William A.; Chen, Gong","Copper-catalyzed carboxamide-directed ortho amination of anilines with alkylamines at room temperature.","Organic letters","2014","16","6","1764","1767","10.1021/ol500464x","","","0.71073","MoKα","","0.0628","0.0371","","","0.1107","0.1226","","","","","","0.945","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513921","10.649","0.008","19.364","0.014","22.911","0.016","90","","100.61","0.03","90","","4644","6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-[Leu-(R)Gamma Val]5-OMe","t-Butyloxycarbonyl-[leucyl-R-Gamma-valyl]5-methyl ester","","- C73 H132 N10 O17 -","- C73 H132 N10 O17 -","- C146 H264 N20 O34 -","2","1","","Sonti, Rajesh; Dinesh, Bhimareddy; Basuroy, Krishnayan; Raghothama, Srinivasarao; Shamala, Narayanaswamy; Balaram, Padmanabhan","C12 Helices in Long Hybrid (αγ)n Peptides Composed Entirely of Unconstrained Residues with Proteinogenic Side Chains.","Organic letters","2014","16","6","1656","1659","10.1021/ol500307p","","","0.71073","MoKα","","0.4246","0.1178","","","0.2571","0.4086","","","","","","0.876","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513922","20.097","0.003","5.6328","0.0008","26.033","0.004","90","","105.683","0.009","90","","2837.3","0.7","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H25 N O4 -","- C13 H25 N O4 -","- C104 H200 N8 O32 -","8","2","","Rigoli, Jared W.; Guzei, Ilia A.; Schomaker, Jennifer M.","Aminodiols via Stereocontrolled Oxidation of Methyleneaziridines.","Organic letters","2014","16","6","1696","1699","10.1021/ol5003576","","x-ray","1.54178","CuKα","","0.0409","0.0348","","","0.0894","0.0937","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513923","13.862","0.0009","9.1079","0.0009","10.5256","0.0014","90","","102.094","0.004","90","","1299.4","0.2","100.26","","100.26","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 N O4 -","- C12 H23 N O4 -","- C48 H92 N4 O16 -","4","1","","Rigoli, Jared W.; Guzei, Ilia A.; Schomaker, Jennifer M.","Aminodiols via Stereocontrolled Oxidation of Methyleneaziridines.","Organic letters","2014","16","6","1696","1699","10.1021/ol5003576","","x-ray","1.54178","CuKα","K-L~3~","0.0347","0.0341","","","0.0903","0.0911","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513924","35.053","0.012","8.354","0.003","25.955","0.015","90","","129.604","0.011","90","","5856","5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28.89 H34.77 N3 O10.94 -","- C28.888 H34.776 N3 O10.944 -","- C231.104 H278.208 N24 O87.552 -","8","1","","Rigoli, Jared W.; Guzei, Ilia A.; Schomaker, Jennifer M.","Aminodiols via Stereocontrolled Oxidation of Methyleneaziridines.","Organic letters","2014","16","6","1696","1699","10.1021/ol5003576","","x-ray","0.71073","MoKα","","0.0449","0.0402","","","0.107","0.111","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513925","7.988","0.0007","13.4927","0.0012","15.604","0.002","108.116","0.005","93.05","0.005","104.286","0.005","1533.5","0.3","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H31 N3 O10 -","- C27 H31 N3 O10 -","- C54 H62 N6 O20 -","2","1","","Rigoli, Jared W.; Guzei, Ilia A.; Schomaker, Jennifer M.","Aminodiols via Stereocontrolled Oxidation of Methyleneaziridines.","Organic letters","2014","16","6","1696","1699","10.1021/ol5003576","","x-ray","1.54178","CuKα","","0.0405","0.0393","","","0.1022","0.1034","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513926","13.7974","0.0009","14.6937","0.0012","15.3341","0.0012","95.649","0.004","97.703","0.004","95.445","0.004","3047.3","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H76 F9 N3 O16 -","- C56 H76 F9 N3 O16 -","- C112 H152 F18 N6 O32 -","2","1","","Rigoli, Jared W.; Guzei, Ilia A.; Schomaker, Jennifer M.","Aminodiols via Stereocontrolled Oxidation of Methyleneaziridines.","Organic letters","2014","16","6","1696","1699","10.1021/ol5003576","","","1.54178","CuKα","","0.0807","0.0667","","","0.1543","0.163","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513927","8.043","0.005","14.966","0.005","21.126","0.005","90","","91.963","0.005","90","","2541.5","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Br N2 O10 -","- C28 H21 Br N2 O10 -","- C112 H84 Br4 N8 O40 -","4","1","","Castillo-Contreras, Emmanuel B; Dake, Gregory R.","DMAP Promoted Tandem Addition Reactions Forming Substituted Tetrahydroxanthones.","Organic letters","2014","16","6","1642","1645","10.1021/ol5002945","","","0.71073","MoKα","","0.0623","0.0396","","","0.0822","0.0895","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513928","8.395","0.005","14.767","0.005","20.845","0.005","90","","92.298","0.005","90","","2582.1","1.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 O10 -","- C30 H22 N2 O10 -","- C120 H88 N8 O40 -","4","1","","Castillo-Contreras, Emmanuel B; Dake, Gregory R.","DMAP Promoted Tandem Addition Reactions Forming Substituted Tetrahydroxanthones.","Organic letters","2014","16","6","1642","1645","10.1021/ol5002945","","","0.71073","MoKα","","0.0607","0.0441","","","0.113","0.1255","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513929","10.1322","0.0002","14.72","0.0004","15.8556","0.0004","105.938","0.002","93.37","0.002","108.963","0.002","2121.81","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H27 N O4 -","- C75 H27 N O4 -","- C150 H54 N2 O8 -","2","1","","Aroua, Safwan; Schweizer, W. Bernd; Yamakoshi, Yoko","C60 Pyrrolidine Bis-carboxylic Acid Derivative as a Versatile Precursor for Biocompatible Fullerenes.","Organic letters","2014","16","6","1688","1691","10.1021/ol500363r","","","1.54178","CuKα","","0.0694","0.055","","","0.1592","0.1692","","","","","","1.405","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513930","9.6185","0.0005","10.2636","0.0007","12.3384","0.0009","76.047","0.006","78.775","0.005","81.549","0.005","1153.08","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H24 Cl N -","- C31 H24 Cl N -","- C62 H48 Cl2 N2 -","2","1","","Bunescu, Ala; Wang, Qian; Zhu, Jieping","Three-Component Povarov Reaction-Heteroannulation with Arynes: Synthesis of 5,6-Dihydroindolo[1,2-a]quinolines.","Organic letters","2014","16","6","1756","1759","10.1021/ol500447r","","","0.71073","MoKα","","0.0782","0.0564","","","0.1359","0.15","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513931","8.0659","0.0007","8.7522","0.0009","23.942","0.003","90","","90","","90","","1690.2","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","methyl 3-(p-chlorobenzoyl)-2-(2,3-dioxo-1H-indol-1-yl)propionate","","- C19 H14 Cl N O5 -","- C19 H14 Cl N O5 -","- C76 H56 Cl4 N4 O20 -","4","1","","Zari, Sergei; Kudrjashova, Marina; Pehk, Tõnis; Lopp, Margus; Kanger, Tõnis","Remote activation of the nucleophilicity of isatin.","Organic letters","2014","16","6","1740","1743","10.1021/ol500421k","","","0.71073","MoKα","","0.0462","0.0383","","","0.0933","0.0978","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513932","10.2775","0.0006","11.529","0.0007","21.0711","0.0012","90","","101.425","0.001","90","","2447.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 N O2 S -","- C32 H25 N O2 S -","- C128 H100 N4 O8 S4 -","4","1","","Zhu, Can; Ma, Shengming","Efficient Carbazole Synthesis via Pd/Cu-Cocatalyzed Cross-Coupling/Isomerization of 2-Allyl-3-iodoindoles and Terminal Alkynes.","Organic letters","2014","16","6","1542","1545","10.1021/ol500119r","","","0.71073","MoKα","","0.0643","0.0572","","","0.1336","0.1379","","","","","","1.165","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513933","12.928","0.002","11.9718","0.0019","11.6528","0.0018","90","","114.04","0.002","90","","1647.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O2 S -","- C20 H17 N O2 S -","- C80 H68 N4 O8 S4 -","4","1","","Zhu, Can; Ma, Shengming","Efficient Carbazole Synthesis via Pd/Cu-Cocatalyzed Cross-Coupling/Isomerization of 2-Allyl-3-iodoindoles and Terminal Alkynes.","Organic letters","2014","16","6","1542","1545","10.1021/ol500119r","","","0.71073","MoKα","","0.0564","0.0448","","","0.1114","0.1185","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513934","11.29","0.0006","15.2347","0.0005","13.7812","0.0006","90","","110.517","0.005","90","","2220.01","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 F N O3 S -","- C26 H18 F N O3 S -","- C104 H72 F4 N4 O12 S4 -","4","1","","Li, Zexiang; Ling, Fei; Cheng, Dong; Ma, Cheng","Pd-Catalyzed Branching Cyclizations of Enediyne-Imides toward Furo[2,3-b]pyridines.","Organic letters","2014","16","6","1822","1825","10.1021/ol500574b","","","0.71073","MoKα","","0.0681","0.0453","","","0.1068","0.1215","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513935","10.8495","0.0007","12.3266","0.0009","12.3307","0.0008","106.273","0.006","95.855","0.005","114.131","0.007","1399.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H29 N O -","- C37 H29 N O -","- C74 H58 N2 O2 -","2","1","","Li, Zexiang; Ling, Fei; Cheng, Dong; Ma, Cheng","Pd-Catalyzed Branching Cyclizations of Enediyne-Imides toward Furo[2,3-b]pyridines.","Organic letters","2014","16","6","1822","1825","10.1021/ol500574b","","","0.71073","MoKα","","0.0856","0.0506","","","0.1151","0.1371","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513936","13.4073","0.0006","13.4502","0.0005","15.0436","0.0006","77.579","0.003","89.394","0.003","74.486","0.004","2549.62","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 Br N O3 S -","- C29 H24 Br N O3 S -","- C116 H96 Br4 N4 O12 S4 -","4","2","","Li, Zexiang; Ling, Fei; Cheng, Dong; Ma, Cheng","Pd-Catalyzed Branching Cyclizations of Enediyne-Imides toward Furo[2,3-b]pyridines.","Organic letters","2014","16","6","1822","1825","10.1021/ol500574b","","","0.71073","MoKα","","0.0862","0.0484","","","0.1086","0.1289","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513937","13.442","0.001","23.75","0.002","9.908","0.001","90","","99.766","0.005","90","","3117.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 F6 N6 O3 S -","- C31 H30 F6 N6 O3 S -","- C124 H120 F24 N24 O12 S4 -","4","1","","Osorio-Planes, Laura; Rodríguez-Escrich, Carles; Pericàs, Miquel A","Photoswitchable thioureas for the external manipulation of catalytic activity.","Organic letters","2014","16","6","1704","1707","10.1021/ol500381c","","","0.71073","MoKα","","0.2077","0.0888","","","0.2002","0.2483","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513938","8.695","0.005","9.993","0.005","13.764","0.008","80.053","0.017","87.203","0.018","75.852","0.017","1142.2","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F6 N4 O2 S -","- C24 H18 F6 N4 O2 S -","- C48 H36 F12 N8 O4 S2 -","2","1","","Osorio-Planes, Laura; Rodríguez-Escrich, Carles; Pericàs, Miquel A","Photoswitchable thioureas for the external manipulation of catalytic activity.","Organic letters","2014","16","6","1704","1707","10.1021/ol500381c","","","0.71073","MoKα","","0.0863","0.0591","","","0.1592","0.1797","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513939","8.915","0.0005","11.1839","0.0005","25.103","0.0011","90","","90","","90","","2502.9","0.2","291.31","0.12","291.31","0.12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Br N O5 -","- C29 H24 Br N O5 -","- C116 H96 Br4 N4 O20 -","4","1","","Zhao, Shuai; Lin, Jun-Bing; Zhao, Yuan-Yuan; Liang, Yong-Min; Xu, Peng-Fei","Hydrogen-Bond-Directed Formal [5 + 1] Annulations of Oxindoles with Ester-Linked Bisenones: Facile Access to Chiral Spirooxindole δ-Lactones.","Organic letters","2014","16","6","1802","1805","10.1021/ol500547e","","","0.7107","MoKα","","0.0787","0.0447","","","0.0784","0.0899","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513940","8.4418","0.0011","10.0416","0.0012","12.6007","0.0015","71.386","0.002","80.108","0.002","80.498","0.003","990.2","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H19 N5 -","- C26 H19 N5 -","- C52 H38 N10 -","2","1","","Gulevskaya, Anna V.; Tyaglivy, Alexander S.; Pozharskii, Alexander F.; Nelina-Nemtseva, Julia I; Steglenko, Dmitry V.","Heterocyclization of Enediynes Promoted by Sodium Azide: A Case of Ambiguity of X-ray Data and Structure Revision.","Organic letters","2014","16","6","1582","1585","10.1021/ol500125j","","","0.71073","MoKα","","0.0584","0.0465","","","0.0977","0.1038","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513941","7.6291","0.0006","12.2206","0.001","14.8111","0.0012","87.143","0.002","83.175","0.002","73.598","0.002","1315.1","0.18","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H19 N7 -","- C36 H19 N7 -","- C72 H38 N14 -","2","1","","Gulevskaya, Anna V.; Tyaglivy, Alexander S.; Pozharskii, Alexander F.; Nelina-Nemtseva, Julia I; Steglenko, Dmitry V.","Heterocyclization of Enediynes Promoted by Sodium Azide: A Case of Ambiguity of X-ray Data and Structure Revision.","Organic letters","2014","16","6","1582","1585","10.1021/ol500125j","","","0.71073","MoKα","","0.0645","0.0481","","","0.1216","0.1338","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513942","9.586","0.0004","9.8319","0.0004","16.7791","0.0007","90","","91.418","0.001","90","","1580.92","0.11","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C88 H60 N12 -","4","1","","Gulevskaya, Anna V.; Tyaglivy, Alexander S.; Pozharskii, Alexander F.; Nelina-Nemtseva, Julia I; Steglenko, Dmitry V.","Heterocyclization of Enediynes Promoted by Sodium Azide: A Case of Ambiguity of X-ray Data and Structure Revision.","Organic letters","2014","16","6","1582","1585","10.1021/ol500125j","","","0.71073","MoKα","","0.0499","0.0406","","","0.0996","0.1071","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513943","13.0279","0.001","11.261","0.0009","11.0155","0.0009","90","","108.566","0.002","90","","1531.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 -","- C20 H17 N3 -","- C80 H68 N12 -","4","1","","Gulevskaya, Anna V.; Tyaglivy, Alexander S.; Pozharskii, Alexander F.; Nelina-Nemtseva, Julia I; Steglenko, Dmitry V.","Heterocyclization of Enediynes Promoted by Sodium Azide: A Case of Ambiguity of X-ray Data and Structure Revision.","Organic letters","2014","16","6","1582","1585","10.1021/ol500125j","","","0.71073","MoKα","","0.0604","0.0412","","","0.0848","0.0952","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513944","14.4399","0.001","7.9155","0.0006","26.9248","0.0019","90","","100.693","0.002","90","","3024","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F3 N3 -","- C17 H16 F3 N3 -","- C136 H128 F24 N24 -","8","2","","Gulevskaya, Anna V.; Tyaglivy, Alexander S.; Pozharskii, Alexander F.; Nelina-Nemtseva, Julia I; Steglenko, Dmitry V.","Heterocyclization of Enediynes Promoted by Sodium Azide: A Case of Ambiguity of X-ray Data and Structure Revision.","Organic letters","2014","16","6","1582","1585","10.1021/ol500125j","","","0.71073","MoKα","","0.0626","0.049","","","0.1306","0.1438","","","","","","1.007","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513945","6.5295","0.0006","16.1868","0.0015","22.781","0.002","90","","90","","90","","2407.8","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","13315a","","","- C27 H32 N2 O4 S -","- C27 H32 N2 O4 S -","- C108 H128 N8 O16 S4 -","4","1","","Fang, Li-Chao; Hsung, Richard P.","Stereoselective Synthesis of Isoquinuclidines through an Aza-[4 + 2] Cycloaddition of Chiral Cyclic 2-Amidodienes.","Organic letters","2014","16","6","1826","1829","10.1021/ol500390a","","","1.54178","CuKα","","0.0274","0.025","","","0.0626","0.0638","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513946","8.2102","0.001","7.2353","0.0009","29.835","0.004","90","","90.168","0.002","90","","1772.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl N4 O4 -","- C18 H17 Cl N4 O4 -","- C72 H68 Cl4 N16 O16 -","4","2","","Yin, Qin; You, Shu-Li","Asymmetric Chlorination/Ring Expansion for the Synthesis of α-Quaternary Cycloalkanones.","Organic letters","2014","16","6","1810","1813","10.1021/ol5005565","","","0.71073","MoKα","","0.0591","0.0533","","","0.1413","0.148","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513947","15.293","0.003","8.606","0.002","14.701","0.003","90","","106.01","0.004","90","","1859.8","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 F3 N O2 -","- C9 H8 F3 N O2 -","- C72 H64 F24 N8 O16 -","8","1","","Xie, Jin; Yuan, Xiangai; Abdukader, Ablimit; Zhu, Chengjian; Ma, Jing","Visible-light-promoted radical C-h trifluoromethylation of free anilines.","Organic letters","2014","16","6","1768","1771","10.1021/ol500469a","","","0.71073","MoKα","","0.0442","0.0372","","","0.1013","0.1119","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513948","7.968","0.0016","15.3","0.003","16.954","0.003","90","","90","","90","","2066.9","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","4-(methylsulfonyl)-2-(trifluoromethyl)aniline","","","- C8 H8 F3 N O2 S -","- C8 H8 F3 N O2 S -","- C64 H64 F24 N8 O16 S8 -","8","1","","Xie, Jin; Yuan, Xiangai; Abdukader, Ablimit; Zhu, Chengjian; Ma, Jing","Visible-light-promoted radical C-h trifluoromethylation of free anilines.","Organic letters","2014","16","6","1768","1771","10.1021/ol500469a","","","0.71073","MoKα","","0.1027","0.059","","","0.1537","0.1802","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513949","19.4814","0.0018","18.4101","0.0014","18.5749","0.0015","90","","99.456","0.006","90","","6571.4","1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C121 H108 Cl2 O4 -","- C121 H108 Cl2 O4 -","- C242 H216 Cl4 O8 -","2","0.5","","Tran-Van, Anne-Florence; Huxol, Elena; Basler, Jonathan M.; Neuburger, Markus; Adjizian, Jean-Joseph; Ewels, Chris P.; Wegner, Hermann A.","Synthesis of substituted [8]cycloparaphenylenes by [2 + 2 + 2] cycloaddition.","Organic letters","2014","16","6","1594","1597","10.1021/ol500194s","","","1.5418","CuKα","","0.1478","0.0912","","0.2421","0.1038","0.1038","","","","","","1.1016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513950","7.8552","0.0008","5.5784","0.0006","24.405","0.003","90","","93.577","0.002","90","","1067.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 F3 N2 O -","- C11 H9 F3 N2 O -","- C44 H36 F12 N8 O4 -","4","1","","Wang, Shuai; Nie, Jing; Zheng, Yan; Ma, Jun-An","A direct copper-promoted three-component entry to trifluoromethylketoximes.","Organic letters","2014","16","6","1606","1609","10.1021/ol500203m","","","0.71073","MoKα","","0.0808","0.0469","","","0.1187","0.1403","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513951","16.1601","0.0008","8.647","0.0004","22.3451","0.0011","90","","94.538","0.002","90","","3112.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H31 N O2 -","- C45 H31 N O2 -","- C180 H124 N4 O8 -","4","1","","Bock, Harald; Subervie, Daniel; Mathey, Pierre; Pradhan, Anirban; Sarkar, Parantap; Dechambenoit, Pierre; Hillard, Elizabeth A.; Durola, Fabien","Helicenes from diarylmaleimides.","Organic letters","2014","16","6","1546","1549","10.1021/ol500154k","","","0.71073","MoKα","","0.0555","0.0459","","","0.1246","0.134","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513952","23.975","0.003","82.044","0.012","14.299","0.002","90","","90","","90","","28126","7","120","2","120","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C57 H59 N O2 -","- C57 H59 N O2 -","- C1368 H1416 N24 O48 -","24","","","Bock, Harald; Subervie, Daniel; Mathey, Pierre; Pradhan, Anirban; Sarkar, Parantap; Dechambenoit, Pierre; Hillard, Elizabeth A.; Durola, Fabien","Helicenes from diarylmaleimides.","Organic letters","2014","16","6","1546","1549","10.1021/ol500154k","","","0.71073","MoKα","","0.1044","0.0685","","","0.1855","0.2144","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513953","27.41","0.003","7.7863","0.0008","22.292","0.002","90","","107.21","0.001","90","","4544.6","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","12195a","","","- C27 H27 N O5 -","- C27 H27 N O5 -","- C216 H216 N8 O40 -","8","1","","Kim, Yong Wook; Georg, Gunda I.","Boron-Heck Reaction of Cyclic Enaminones: Regioselective Direct Arylation via Oxidative Palladium(II) Catalysis.","Organic letters","2014","16","6","1574","1577","10.1021/ol500105d","","","0.71073","MoKα","","0.067","0.0417","","","0.0941","0.107","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513954","10.0755","0.0014","13.4968","0.0019","13.586","0.002","90","","93.953","0.004","90","","1843.1","0.5","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O5 -","- C23 H20 O5 -","- C92 H80 O20 -","4","1","","Yamamoto, Yoshihiko; Matsui, Kazuma; Shibuya, Masatoshi","Tandem ruthenium-catalyzed transfer-hydrogenative cyclization/intramolecular diels-alder reaction of enediynes affording dihydrocoumarin-fused polycycles.","Organic letters","2014","16","6","1806","1809","10.1021/ol500548x","","","0.71073","MoKα","","0.068","0.0519","","","0.1258","0.1358","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513955","7.5175","0.0003","10.5792","0.0004","11.8536","0.0005","115.153","0.002","102.95","0.002","96.901","0.002","806.44","0.06","298","2","298","2","","","","","","","as described","4","P -1","-P 1","2","","trans-(2-allyl-2-methyl-3-oxotetrahydrofuran-5-yl)methyl 4-nitrobenzoate","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C32 H34 N2 O12 -","2","1","","Boyer, Alistair","Rhodium(II)-Catalyzed Stereocontrolled Synthesis of Dihydrofuran-3-imines from 1-Tosyl-1,2,3-triazoles.","Organic letters","2014","16","6","1660","1663","10.1021/ol500309x","","x-ray","0.71073","MoKα","","0.0604","0.0422","","","0.1078","0.1148","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514122","18.444","0.005","15.948","0.004","25.573","0.006","90","","90","","90","","7522","3","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H38 N6 O5 -","- C48 H38 N6 O5 -","- C384 H304 N48 O40 -","8","1","","Nakano, Emi; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro","Electrochemistry of photochromic [2.2]paracyclophane-bridged imidazole dimers: rational understanding of the electronic structures.","The journal of physical chemistry. A","2014","118","12","2288","2297","10.1021/jp412672a","","","0.71073","MoKα","","0.1114","0.0619","","","0.1351","0.1579","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514123","13.1315","0.0003","9.8741","0.0002","13.7239","0.0004","90","","103.615","0.001","90","","1729.46","0.07","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H58 Fe P2 -","- C38 H58 Fe P2 -","- C76 H116 Fe2 P4 -","2","1","","Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan","Indirect ""no-bond"" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.","The journal of physical chemistry. A","2014","118","12","2316","2331","10.1021/jp500172b","","","0.71073","MoKα","","0.0693","0.0541","","","0.1224","0.1297","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514124","13.2558","0.0002","9.2386","0.0001","13.4456","0.0002","90","","99.992","0.001","90","","1621.64","0.04","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H46 Fe P2 -","- C38 H46 Fe P2 -","- C76 H92 Fe2 P4 -","2","1","","Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan","Indirect ""no-bond"" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.","The journal of physical chemistry. A","2014","118","12","2316","2331","10.1021/jp500172b","","","0.71073","MoKα","","0.0811","0.0583","","","0.1216","0.1324","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514125","13.4011","0.0003","21.5414","0.0003","48.6745","0.001","90","","90","","90","","14051.3","0.5","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H48 Cl2 Fe P2 -","- C39 H48 Cl2 Fe P2 -","- C624 H768 Cl32 Fe16 P32 -","16","2","","Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan","Indirect ""no-bond"" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.","The journal of physical chemistry. A","2014","118","12","2316","2331","10.1021/jp500172b","","","0.71073","MoKα","","0.0887","0.0756","","","0.2008","0.2117","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514126","11.9515","0.0003","12.1683","0.0003","14.2621","0.0004","110.684","0.001","97.566","0.001","114.389","0.001","1670.91","0.08","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H58 Fe P2 -","- C38 H58 Fe P2 -","- C76 H116 Fe2 P4 -","2","1","","Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan","Indirect ""no-bond"" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.","The journal of physical chemistry. A","2014","118","12","2316","2331","10.1021/jp500172b","","","0.71073","MoKα","","0.078","0.0599","","","0.1207","0.1337","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514127","10.16","0.0007","10.3036","0.0011","14.0553","0.0012","99.674","0.008","96.774","0.006","97.811","0.007","1422","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","phenobarbital acetonitrile monosolvate","","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C56 H60 N12 O12 -","4","2","","Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K.","New solvates of an old drug compound (phenobarbital): structure and stability.","The journal of physical chemistry. B","2014","118","12","3267","3280","10.1021/jp409201v","","","0.71073","MoKα","","0.0696","0.0492","","","0.1253","0.1319","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514128","10.2543","0.0014","10.4086","0.0015","13.709","0.0019","98.774","0.011","96.171","0.011","98.962","0.003","1415.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","phenobarbital nitromethane monosolvate","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C52 H60 N12 O20 -","4","2","","Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K.","New solvates of an old drug compound (phenobarbital): structure and stability.","The journal of physical chemistry. B","2014","118","12","3267","3280","10.1021/jp409201v","","","0.71073","MoKα","","0.0775","0.0499","","","0.1074","0.116","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514129","8.698","0.0005","11.9681","0.0006","14.259","0.0007","90","","97.47","0.005","90","","1471.74","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","phenobarbital dichloromethane monosolvate","","","- C13 H14 Cl2 N2 O3 -","- C13 H14 Cl2 N2 O3 -","- C52 H56 Cl8 N8 O12 -","4","1","","Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K.","New solvates of an old drug compound (phenobarbital): structure and stability.","The journal of physical chemistry. B","2014","118","12","3267","3280","10.1021/jp409201v","","","0.71073","MoKα","","0.0552","0.0404","","","0.1118","0.1159","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514130","6.86417","0.00015","11.9645","0.0002","16.6842","0.0004","90","","98.071","0.002","90","","1356.64","0.05","253","2","253","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phenobarbital dioxane hemisolvate","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C56 H64 N8 O16 -","4","1","","Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K.","New solvates of an old drug compound (phenobarbital): structure and stability.","The journal of physical chemistry. B","2014","118","12","3267","3280","10.1021/jp409201v","","","0.71073","MoKα","","0.0431","0.0309","","","0.0757","0.0781","","","","","","0.955","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1514131","10.6052","0.0003","10.5502","0.0002","14.681","0.0004","90","","92.028","0.002","90","","1641.58","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phenobarbital dioxane monosolvate","","","- C16 H20 N2 O5 -","- C16 H20 N2 O5 -","- C64 H80 N8 O20 -","4","1","","Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K.","New solvates of an old drug compound (phenobarbital): structure and stability.","The journal of physical chemistry. B","2014","118","12","3267","3280","10.1021/jp409201v","","","0.71073","MoKα","","0.0539","0.035","","","0.0848","0.0885","","","","","","0.89","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514132","17.639","0.002","10.4165","0.0008","18.374","0.002","90","","108.281","0.009","90","","3205.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenobarbital dioxane monosolvate","","","- C16 H20 N2 O5 -","- C16 H20 N2 O5 -","- C128 H160 N16 O40 -","8","2","","Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K.","New solvates of an old drug compound (phenobarbital): structure and stability.","The journal of physical chemistry. B","2014","118","12","3267","3280","10.1021/jp409201v","","","0.71073","MoKα","","0.0758","0.0465","","","0.0827","0.0895","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514133","9.8638","0.0004","10.5358","0.0005","18.0155","0.0008","81.532","0.003","77.639","0.003","84.01","0.003","1803.74","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H28 Al F15 N2 -","- C37 H28 Al F15 N2 -","- C74 H56 Al2 F30 N4 -","2","1","","Jia, Yin-Bao; Wang, Yan-Bo; Ren, Wei-Min; Xu, Tieqi; Wang, Jing; Lu, Xiao-Bing","Mechanistic Aspects of Initiation and Deactivation inN-Heterocyclic Olefin Mediated Polymerization of Acrylates with Alane as Activator","Macromolecules","2014","47","6","1966","","10.1021/ma500047d","","","0.71073","MoKα","","0.1238","0.0604","","","0.1609","0.1932","","","","","","0.971","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1514134","11.277","0.008","11.709","0.008","18","0.012","105","0.014","103.215","0.013","102.156","0.014","2141","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 Al F15 N2 -","- C46 H38 Al F15 N2 -","- C92 H76 Al2 F30 N4 -","2","1","","Jia, Yin-Bao; Wang, Yan-Bo; Ren, Wei-Min; Xu, Tieqi; Wang, Jing; Lu, Xiao-Bing","Mechanistic Aspects of Initiation and Deactivation inN-Heterocyclic Olefin Mediated Polymerization of Acrylates with Alane as Activator","Macromolecules","2014","47","6","1966","","10.1021/ma500047d","","","0.71073","MoKα","","0.186","0.1116","","","0.2483","0.2832","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514135","10.2014","0.0006","17.3415","0.0011","20.5293","0.0011","90","","96.982","0.005","90","","3604.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 Al F15 N2 -","- C40 H26 Al F15 N2 -","- C160 H104 Al4 F60 N8 -","4","1","","Jia, Yin-Bao; Wang, Yan-Bo; Ren, Wei-Min; Xu, Tieqi; Wang, Jing; Lu, Xiao-Bing","Mechanistic Aspects of Initiation and Deactivation inN-Heterocyclic Olefin Mediated Polymerization of Acrylates with Alane as Activator","Macromolecules","2014","47","6","1966","","10.1021/ma500047d","","","0.71073","MoKα","","0.2083","0.0744","","","0.1458","0.196","","","","","","0.955","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1514137","15.98","0.003","14.393","0.002","24.368","0.004","90","","90","","90","","5604.6","1.6","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H35 Cl3 Fe N2 O -","- C27 H35 Cl3 Fe N2 O -","- C216 H280 Cl24 Fe8 N16 O8 -","8","1","","Hennessy, Elisabeth T.; Liu, Richard Y.; Iovan, Diana A.; Duncan, Ryan A.; Betley, Theodore A.","Iron-mediated intermolecular N-group transfer chemistry with olefinic substrates","Chemical Science","2014","5","4","1526","","10.1039/c3sc52533c","","","0.71073","MoKα","","0.0968","0.0594","","","0.1406","0.1665","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514138","6.6348","0.0009","11.6431","0.0015","10.7797","0.0014","90","","99.155","0.008","90","","822.12","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl O4 -","- C18 H17 Cl O4 -","- C36 H34 Cl2 O8 -","2","1","","Manna, Madhu Sudan; Mukherjee, Santanu","Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione","Chemical Science","2014","5","4","1627","","10.1039/c3sc53102c","","","0.71073","MoKα","","0.0775","0.0407","","","0.0785","0.0906","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514139","6.569","0.008","13.286","0.017","17.05","0.02","90","","90","","90","","1488","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Manna, Madhu Sudan; Mukherjee, Santanu","Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione","Chemical Science","2014","5","4","1627","","10.1039/c3sc53102c","","x-ray","0.71073","MoKα","","0.0696","0.0453","","","0.1209","0.1392","","","","","","0.909","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514140","6.465","0.005","16.927","0.005","29.143","0.005","90","","90","","90","","3189","3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Cl O4 -","- C18 H15 Cl O4 -","- C144 H120 Cl8 O32 -","8","2","","Manna, Madhu Sudan; Mukherjee, Santanu","Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione","Chemical Science","2014","5","4","1627","","10.1039/c3sc53102c","","","0.71073","MoKα","","0.0477","0.0387","","","0.0872","0.0913","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514143","8.0983","0.0006","12.4502","0.0009","15.5631","0.0012","105.76","0.001","103.114","0.001","101.124","0.001","1415.5","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(bpyPY2Me)(MeCN)(OTf)](OTf)","","","- C26 H21 Co F6 N5 O6 S2 -","- C26 H21 Co F6 N5 O6 S2 -","- C52 H42 Co2 F12 N10 O12 S4 -","2","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.0276","0.0253","","","0.0637","0.0658","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514144","16.288","0.003","16.463","0.003","17.02","0.003","62.683","0.002","83.145","0.002","83.634","0.002","4017.8","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(bpy(PYCF3)2)(MeCN)(OTf)](OTf)","","","- C33 H26.5 Co F12 N7.5 O6 S2 -","- C33 H26.5 Co F12 N7.5 O6 S2 -","- C132 H106 Co4 F48 N30 O24 S8 -","4","2","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.1652","0.078","","","0.1962","0.2459","","","","","","1.016","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514145","8.3555","0.0005","13.6865","0.0008","15.1917","0.0008","116.451","0.002","94.117","0.002","90.678","0.003","1549.54","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(bpyPY2OH)(MeCN)(OTf)](OTf)","","","- C27 H22 Co F6 N6 O7 S2 -","- C27 H22 Co F6 N6 O7 S2 -","- C54 H44 Co2 F12 N12 O14 S4 -","2","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.0302","0.0275","","","0.1129","0.1182","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514146","12.0052","0.0015","17.117","0.002","13.5392","0.0017","90","","99.567","0.002","90","","2743.5","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","sck001","","","- C25 H20 Co F6 N4 O6 S2 -","- C25 H20 Co F6 N4 O6 S2 -","- C100 H80 Co4 F24 N16 O24 S8 -","4","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.0317","0.0296","","","0.0701","0.0717","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514147","12.8142","0.0005","16.9334","0.0006","13.8652","0.0006","90","","98.362","0.002","90","","2976.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Co F6 N5 O6 S2 -","- C27 H23 Co F6 N5 O6 S2 -","- C108 H92 Co4 F24 N20 O24 S8 -","4","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.0297","0.0277","","","0.066","0.0672","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514148","9.6468","0.0005","11.9557","0.0006","14.9502","0.0008","105.694","0.003","105.787","0.003","100.066","0.003","1538.89","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 Co F6 N4 O9 S2 -","- C26 H28 Co F6 N4 O9 S2 -","- C52 H56 Co2 F12 N8 O18 S4 -","2","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.0322","0.0303","","","0.0716","0.0727","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514149","24.9411","0.0013","11.4329","0.0004","26.1884","0.0009","90","","116.585","0.002","90","","6678.1","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C30.5 H27 Co F6 N6 O6 S2 -","- C30.5 H27 Co F6 N6 O6 S2 -","- C244 H216 Co8 F48 N48 O48 S16 -","8","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.1204","0.061","","","0.1393","0.1675","","","","","","1.027","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514150","18.65","0.0017","18.65","0.0017","6.8329","0.0009","90","","90","","120","","2058.2","0.4","300","","300","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C30 H30 Cu3 O24 -","- C30 H24 Cu3 O21 -","- C60 H48 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0451","0.0318","","0.0847","0.0808","0.0847","","","","","","0.9395","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514151","18.695","0.003","18.695","0.003","6.9489","0.0009","90","","90","","120","","2103.3","0.5","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C34.5 H36 Cu3 O22.5 -","- C33 H30 Cu3 O21 -","- C66 H60 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.116","0.073","","0.1452","0.0797","0.0797","","","","","","1.0888","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514152","18.7034","0.0003","18.7034","0.0003","6.878","0.0001","90","","90","","120","","2083.69","0.06","300","","300","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C33.5 H32 Cu3 O21.5 -","- C33 H30 Cu3 O21 -","- C66 H60 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.049","0.0322","","0.0823","0.0762","0.0823","","","","","","0.9536","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514153","18.6631","0.0014","18.6631","0.0014","6.9006","0.0005","90","","90","","120","","2081.5","0.3","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C35 H38 Cu3 O23 -","- C33 H30 Cu3 O21 -","- C66 H60 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.4859","synchrotron","","0.062","0.0407","","0.0742","0.0467","0.0467","","","","","","1.1519","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514154","18.5495","0.0013","18.5495","0.0013","6.8063","0.0005","90","","90","","120","","2028.2","0.3","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C38 H50 Cu3 O26 -","- C33 H30 Cu3 O21 -","- C66 H60 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.4859","synchrotron","","0.0912","0.0673","","0.1138","0.0925","0.0925","","","","","","1.2169","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514155","18.577","0.002","18.577","0.002","6.8406","0.0009","90","","90","","120","","2044.4","0.4","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C33 H32 Cu3 O22 -","- C30 H24 Cu3 O21 -","- C60 H48 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.4859","synchrotron","","0.1221","0.0678","","0.2159","0.1562","0.2159","","","","","","0.9858","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514156","18.459","0.002","18.459","0.002","6.7489","0.0009","90","","90","","120","","1991.5","0.4","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C36 H40 Cu3 O23 -","- C30 H24 Cu3 O21 -","- C60 H48 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.4859","synchrotron","","0.1441","0.0819","","0.2566","0.2222","0.2566","","","","","","1.0066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514157","18.623","0.002","18.623","0.002","6.8973","0.0007","90","","90","","120","","2071.6","0.4","298","","298","","","","0.1","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C30 H37 Cu3 O27.5 -","- C30 H18 Cu3 O21 -","- C60 H36 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.1365","0.063","","0.1262","0.0715","0.0715","","","","","","1.1183","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514158","18.5488","0.0013","18.5488","0.0013","6.9375","0.0004","90","","90","","120","","2067.1","0.2","298","","298","","","","0.3","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C37 H32.5 Cu3 N3.5 O20 -","- C31.998 H25.002 Cu3 N0.999 O20.001 -","- C63.996 H50.004 Cu6 N1.998 O40.002 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0835","0.0558","","0.0994","0.0654","0.0654","","","","","","0.9979","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514159","18.5877","0.0005","18.5877","0.0005","6.874","0.0002","90","","90","","120","","2056.8","0.1","150","","150","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C35 H31 Cu3 N2.5 O21 -","- C31.998 H24 Cu3 N0.999 O20.001 -","- C63.996 H48 Cu6 N1.998 O40.002 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0798","0.0574","","0.1599","0.1529","0.1599","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514160","18.626","0.003","18.626","0.003","6.8687","0.0015","90","","90","","120","","2063.7","0.7","150","","150","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C33 H35 Cu3 N O21.5 -","- C30.999 H29.001 Cu3 N0.999 O20.001 -","- C61.998 H58.002 Cu6 N1.998 O40.002 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.1","0.0619","","0.1534","0.1356","0.1534","","","","","","0.9335","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514161","18.577","0.003","18.577","0.003","6.841","0.001","90","","90","","120","","2044.6","0.6","150","","150","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C32 H32 Cu3 N O22 -","- C31.998 H28.996 Cu3 N0.999 O20.001 -","- C63.996 H57.992 Cu6 N1.998 O40.002 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0863","0.0618","","0.1497","0.1361","0.1497","","","","","","0.8787","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514162","18.542","0.0012","18.542","0.0012","6.8114","0.0005","90","","90","","120","","2028.1","0.2","300","","300","","","","0.7","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C38 H40 Cu3 O25 -","- C30 H18 Cu3 O21 -","- C60 H36 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.184","0.0939","","0.1799","0.1018","0.1018","","","","","","1.0948","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514163","18.2591","0.0016","18.2591","0.0016","6.6274","0.0006","90","","90","","120","","1913.5","0.3","300","","300","","","","0.2","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C42 H48 Cu3 O27 -","- C30 H18 Cu3 O21 -","- C60 H36 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.1949","0.1102","","0.2535","0.1332","0.1332","","","","","","1.1122","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514164","17.991","0.003","17.991","0.003","6.5371","0.0011","90","","90","","120","","1832.4","0.5","300","","300","","","","3","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C34 H32 Cu3 O23 -","- C30 H18 Cu3 O21 -","- C60 H36 Cu6 O42 -","2","0.166667","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.1868","0.1204","","0.2319","0.1342","0.1342","","","","","","1.1803","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514165","26.315","0.003","26.315","0.003","26.315","0.003","90","","90","","90","","18223","4","298","","298","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C18 H26 Cu3 O22 -","- C18 H6 Cu3 O15 -","- C288 H96 Cu48 O240 -","16","0.0833333","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0397","0.0354","","0.0896","0.0879","0.0896","","","","","","0.903","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514166","26.37","0.003","26.37","0.003","26.37","0.003","90","","90","","90","","18337","4","298","","298","","","","0.2","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C18 H38 Cu3 O28 -","- C18 H6 Cu3 O15 -","- C288 H96 Cu48 O240 -","16","0.0833333","","McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A.","The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework.","Nanoscale","2014","6","8","4163","4173","10.1039/c3nr04161a","","","0.71073","MoKα","","0.0764","0.051","","0.0869","0.0556","0.0556","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514167","6.0157","0.0007","21.542","0.004","18.412","0.003","90","","92.247","0.013","90","","2384.2","0.7","101.8","","101.8","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N9 O10 Sm -","- C21 H20 N9 O10 Sm -","- C84 H80 N36 O40 Sm4 -","4","1","","Ahmad, Waqar; Zhang, Lijuan; Zhou, Yunshan","A series of mononuclear lanthanide complexes featuring 3-D supramolecular networks: synthesis, characterization and luminescent properties for sensing guest molecules.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","4","660","670","10.1039/c3pp50346a","","","0.7107","MoKα","","0.0744","0.0487","","","0.0834","0.0932","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514168","5.9758","0.0002","21.4942","0.0013","18.3468","0.0012","90","","91.887","0.004","90","","2355.3","0.2","98.6","","98.6","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N9 O10 Tb -","- C21 H20 N9 O10 Tb -","- C84 H80 N36 O40 Tb4 -","4","1","","Ahmad, Waqar; Zhang, Lijuan; Zhou, Yunshan","A series of mononuclear lanthanide complexes featuring 3-D supramolecular networks: synthesis, characterization and luminescent properties for sensing guest molecules.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","4","660","670","10.1039/c3pp50346a","","","0.7107","MoKα","","0.0646","0.0454","","","0.0862","0.0953","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514169","9.2111","0.0007","9.985","0.0008","10.545","0.0008","95.976","0.001","90.822","0.001","105.171","0.001","930.09","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 O7 P -","- C20 H19 O7 P -","- C40 H38 O14 P2 -","2","1","","Morel, Flavien L.; Ranocchiari, Marco; van Bokhoven, Jeroen A.","Synthesis and Characterization of Phosphine-Functionalized Metal‒Organic Frameworks Based on MOF-5 and MIL-101 Topologies","Industrial & Engineering Chemistry Research","2014","53","22","9120","","10.1021/ie403549v","","","0.71073","MoKα","","0.0536","0.039","","","0.0921","0.0981","","","","","","0.988","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514170","14.8427","0.0015","12.9239","0.0008","15.4124","0.0014","90","","118.131","0.012","90","","2607.2","0.5","98.3","","98.3","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H38 O10 -","- C28 H38 O10 -","- C112 H152 O40 -","4","2","","Xia, Hong-Min; Li, Chuang-Jun; Yang, Jing-Zhi; Ma, Jie; Chen, Xiao-Guang; Zhang, Dan; Li, Li; Zhang, Dong-Ming","A,D-seco-Limonoids from the Stems of Clausena emarginata.","Journal of natural products","2014","77","4","784","791","10.1021/np400797s","","","1.5418","CuKα","","0.0497","0.0488","","","0.1331","0.1341","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514171","10.8156","0.0002","19.5038","0.0004","13.2864","0.0009","90","","93.594","0.007","90","","2797.2","0.2","153.1","","153.1","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29.679 H32.144 O11.107 -","- C29.6769 H32.1388 O11.1073 -","- C118.708 H128.555 O44.4292 -","4","1","","Nagasawa, Ikuko; Kaneko, Akira; Suzuki, Toshihiro; Nishio, Kazuto; Kinoshita, Kaoru; Shiro, Motto; Koyama, Kiyotaka","Potential Anti-angiogenesis Effects of p-Terphenyl Compounds from Polyozellus multiplex.","Journal of natural products","2014","77","4","963","968","10.1021/np401046z","","","1.54187","CuKα","","","0.0588","","","","0.1769","","","","","","1.057","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514172","9.6443","0.0006","4.7764","0.0003","11.5683","0.0007","90","","94.929","0.005","90","","530.92","0.06","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 Cl O4 -","- C9 H13 Cl O4 -","- C18 H26 Cl2 O8 -","2","1","","Chang, Ya-Chih; Lu, Chung-Kuang; Chiang, Yin-Ru; Wang, Guei-Jane; Ju, Yu-Ming; Kuo, Yueh-Hsiung; Lee, Tzong-Huei","Diterpene Glycosides and Polyketides from Xylotumulus gibbisporus.","Journal of natural products","2014","77","4","751","757","10.1021/np400523k","","","1.54178","CuKα","","0.0544","0.0523","","","0.1409","0.146","","","","","","1.227","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514173","10.8732","0.0008","6.6552","0.0005","12.7886","0.001","90","","105.053","0.006","90","","893.67","0.12","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Bautista, Elihú; Toscano, Rubén A; Ortega, Alfredo","5,10-seco-neo-Clerodanes and neo-Clerodanes from Salvia microphylla.","Journal of natural products","2014","77","4","1088","1092","10.1021/np4009893","","","0.71073","MoKα","","0.0507","0.0429","","","0.105","0.1092","","","","","","0.961","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514174","8.227","0.0007","11.0537","0.0009","18.858","0.013","90","","90","","90","","1714.9","1.2","101.8","","101.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Feng, Yu; Ren, Fengxia; Niu, Shubin; Wang, Lin; Li, Li; Liu, Xingzhong; Che, Yongsheng","Guanacastane Diterpenoids from the Plant Endophytic Fungus Cercospora sp.","Journal of natural products","2014","77","4","873","881","10.1021/np4009688","","","0.7107","MoKα","","0.0527","0.0431","","","0.083","0.087","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514175","12.8255","0.0006","11.1968","0.0004","12.6545","0.0006","90","","107.183","0.005","90","","1736.13","0.14","104","2","104","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H50 O8 -","- C40 H50 O8 -","- C80 H100 O16 -","2","0.5","","Feng, Yu; Ren, Fengxia; Niu, Shubin; Wang, Lin; Li, Li; Liu, Xingzhong; Che, Yongsheng","Guanacastane Diterpenoids from the Plant Endophytic Fungus Cercospora sp.","Journal of natural products","2014","77","4","873","881","10.1021/np4009688","","","1.54184","CuKα","","0.0366","0.0355","","","0.0963","0.0976","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514176","4.3655","0.0006","49.452","0.005","8.9782","0.0011","90","","91.731","0.013","90","","1937.4","0.4","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H22 O10 -","- C21 H22 O10 -","- C84 H88 O40 -","4","1","","Li, Hanxiang; Jiang, Jieyi; Liu, Zhaoming; Lin, Shaoe; Xia, Guoping; Xia, Xuekui; Ding, Bo; He, Lei; Lu, Yongjun; She, Zhigang","Peniphenones A-D from the Mangrove Fungus Penicillium dipodomyicola HN4-3A as Inhibitors of Mycobacterium tuberculosis Phosphatase MptpB.","Journal of natural products","2014","77","4","800","806","10.1021/np400880w","","","1.5418","CuKα","","0.0821","0.0699","","","0.1724","0.1867","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514177","4.5279","0.0001","15.4658","0.0003","19.9377","0.0003","90","","90","","90","","1396.19","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O6 -","- C15 H16 O6 -","- C60 H64 O24 -","4","1","","Li, Hanxiang; Jiang, Jieyi; Liu, Zhaoming; Lin, Shaoe; Xia, Guoping; Xia, Xuekui; Ding, Bo; He, Lei; Lu, Yongjun; She, Zhigang","Peniphenones A-D from the Mangrove Fungus Penicillium dipodomyicola HN4-3A as Inhibitors of Mycobacterium tuberculosis Phosphatase MptpB.","Journal of natural products","2014","77","4","800","806","10.1021/np400880w","","","1.54178","CuKα","","0.0278","0.0255","","","0.0714","0.073","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514178","21.945","0.004","15.45","0.003","10.384","0.002","90","","103.603","0.004","90","","3421.9","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","2","","Li, Hanxiang; Jiang, Jieyi; Liu, Zhaoming; Lin, Shaoe; Xia, Guoping; Xia, Xuekui; Ding, Bo; He, Lei; Lu, Yongjun; She, Zhigang","Peniphenones A-D from the Mangrove Fungus Penicillium dipodomyicola HN4-3A as Inhibitors of Mycobacterium tuberculosis Phosphatase MptpB.","Journal of natural products","2014","77","4","800","806","10.1021/np400880w","","","0.71073","MoKα","","0.1263","0.056","","","0.133","0.1601","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514179","8.3424","0.0018","11.46","0.002","16.107","0.003","90","","90","","90","","1539.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Li, Hanxiang; Jiang, Jieyi; Liu, Zhaoming; Lin, Shaoe; Xia, Guoping; Xia, Xuekui; Ding, Bo; He, Lei; Lu, Yongjun; She, Zhigang","Peniphenones A-D from the Mangrove Fungus Penicillium dipodomyicola HN4-3A as Inhibitors of Mycobacterium tuberculosis Phosphatase MptpB.","Journal of natural products","2014","77","4","800","806","10.1021/np400880w","","","0.71073","MoKα","","0.0597","0.0408","","","0.0814","0.0887","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514180","6.9978","0.0003","11.1764","0.0005","20.4376","0.0009","90","","98.054","0.002","90","","1582.66","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H52 O5 -","- C34 H52 O5 -","- C68 H104 O10 -","2","1","","Peng, Xing-Rong; Liu, Jie-Qing; Wang, Cui-Fang; Li, Xu-Yang; Shu, Yi; Zhou, Lin; Qiu, Ming-Hua","Hepatoprotective Effects of Triterpenoids from Ganoderma cochlear.","Journal of natural products","2014","77","4","737","743","10.1021/np400323u","","","1.54178","CuKα","","0.0416","0.041","","","0.1177","0.1186","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514181","18.5437","0.0007","29.3874","0.0014","32.6577","0.0015","90","","96.612","0.003","90","","17678.5","1.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Au36","","","- C120 H216 Au36 S24 -","- C120 Au36 S24 -","- C480 Au144 S96 -","4","1","","Das, Anindita; Liu, Chong; Zeng, Chenjie; Li, Gao; Li, Tao; Rosi, Nathaniel L.; Jin, Rongchao","Cyclopentanethiolato-Protected Au36(SC5H9)24 Nanocluster: Crystal Structure and Implications for the Steric and Electronic Effects of Ligand.","The journal of physical chemistry. A","2014","118","37","8264","8269","10.1021/jp501073a","","","1.54178","CuKα","","0.1505","0.0688","","","0.1455","0.1827","","","","","","0.95","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514182","14.4465","0.0004","14.4465","0.0004","10.0082","0.0006","90","","90","","120","","1808.89","0.13","296","2","296","2","","","","","","","","4","P 61","P 61","169","","","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C48 H96 N12 O18 -","6","1","","Altheimer, Benjamin D; Mehta, Manish A","Effects of structural differences on the NMR chemical shifts in isostructural dipeptides.","The journal of physical chemistry. A","2014","118","14","2618","2628","10.1021/jp411220y","","","0.71073","MoKα","","0.0449","0.0354","","","0.0935","0.0988","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514183","10.1307","0.0009","9.1486","0.001","10.6002","0.0011","90","","106.526","0.009","90","","941.86","0.17","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 Al K O5 Si2 -","- C6 Al K0.99 O5 Si2 -","- C24 Al4 K3.96 O20 Si8 -","4","1","","Bellettato, Michela; Bonoldi, Lucia; Cruciani, Giuseppe; Flego, Cristina; Guidetti, Stefania; Millini, Roberto; Montanari, Erica; Parker, Wallace O’Neil; Zanardi, Stefano","Flexible Structure of a Thermally Stable Hybrid Aluminosilicate Built with Only the Three-Ring Unit","The Journal of Physical Chemistry C","2014","118","14","7458","","10.1021/jp5005133","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514184","10.831","0.0003","10.4782","0.0004","10.6059","0.0004","90","","109.924","0.002","90","","1131.61","0.07","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 Al K0.883 O7.255 Si2 -","- C6 Al K0.89 O7.26 Si2 -","- C24 Al4 K3.56 O29.04 Si8 -","4","1","","Bellettato, Michela; Bonoldi, Lucia; Cruciani, Giuseppe; Flego, Cristina; Guidetti, Stefania; Millini, Roberto; Montanari, Erica; Parker, Wallace O’Neil; Zanardi, Stefano","Flexible Structure of a Thermally Stable Hybrid Aluminosilicate Built with Only the Three-Ring Unit","The Journal of Physical Chemistry C","2014","118","14","7458","","10.1021/jp5005133","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514185","14.493","0.002","6.0834","0.001","15.009","0.003","90","","107.679","0.004","90","","1260.8","0.4","103","2","103","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H12 B F2 N O -","- C15 H12 B F2 N O -","- C60 H48 B4 F8 N4 O4 -","4","1","","Yoshii, Ryousuke; Tanaka, Kazuo; Chujo, Yoshiki","Conjugated Polymers Based on Tautomeric Units: Regulation of Main-Chain Conjugation and Expression of Aggregation Induced Emission Property via Boron-Complexation","Macromolecules","2014","47","7","2268","","10.1021/ma500082e","","","0.71075","MoKα","","0.0598","0.0449","","","0.1316","0.1817","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514186","9.5137","0.0008","13.3349","0.0014","18.7322","0.0017","90","","105.908","0.002","90","","2285.4","0.4","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O -","- C15 H13 N O -","- C120 H104 N8 O8 -","8","2","","Yoshii, Ryousuke; Tanaka, Kazuo; Chujo, Yoshiki","Conjugated Polymers Based on Tautomeric Units: Regulation of Main-Chain Conjugation and Expression of Aggregation Induced Emission Property via Boron-Complexation","Macromolecules","2014","47","7","2268","","10.1021/ma500082e","","","0.71075","MoKα","","0.1319","0.0764","","","0.2091","0.2671","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514187","21.452","0.005","21.452","0.005","13.2","0.003","90","","90","","90","","6074","2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C320 H224 N32 O16 -","16","1","","Barilli, Amelia; Atzeri, Corrado; Bassanetti, Irene; Ingoglia, Filippo; Dall'asta, Valeria; Bussolati, Ovidio; Maffini, Monica; Mucchino, Claudio; Marchio, Luciano","Oxidative stress induced by copper and iron complexes with 8-hydroxyquinoline derivatives causes paraptotic death of HeLa cancer cells.","Molecular pharmaceutics","2014","11","4","1151","","10.1021/mp400592n","","","0.71073","MoKα","","0.0923","0.0522","","","0.1108","0.1305","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514188","7.432","0.002","10.432","0.002","10.526","0.002","74.242","0.003","77.299","0.003","72.252","0.003","739.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Barilli, Amelia; Atzeri, Corrado; Bassanetti, Irene; Ingoglia, Filippo; Dall'asta, Valeria; Bussolati, Ovidio; Maffini, Monica; Mucchino, Claudio; Marchio, Luciano","Oxidative stress induced by copper and iron complexes with 8-hydroxyquinoline derivatives causes paraptotic death of HeLa cancer cells.","Molecular pharmaceutics","2014","11","4","1151","","10.1021/mp400592n","","","0.71073","MoKα","","0.085","0.041","","","0.0904","0.1087","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514189","9.952","0.001","13.391","0.002","10.197","0.001","90","0.005","99.739","0.002","90","0.005","1339.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Barilli, Amelia; Atzeri, Corrado; Bassanetti, Irene; Ingoglia, Filippo; Dall'asta, Valeria; Bussolati, Ovidio; Maffini, Monica; Mucchino, Claudio; Marchio, Luciano","Oxidative stress induced by copper and iron complexes with 8-hydroxyquinoline derivatives causes paraptotic death of HeLa cancer cells.","Molecular pharmaceutics","2014","11","4","1151","","10.1021/mp400592n","","","0.71073","MoKα","","0.056","0.0399","","","0.1037","0.1146","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514190","24.782","0.007","7.293","0.002","15.647","0.004","90","","92.667","0.004","90","","2824.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Cu N2 O4 -","- C36 H28 Cu N2 O4 -","- C144 H112 Cu4 N8 O16 -","4","0.5","","Barilli, Amelia; Atzeri, Corrado; Bassanetti, Irene; Ingoglia, Filippo; Dall'asta, Valeria; Bussolati, Ovidio; Maffini, Monica; Mucchino, Claudio; Marchio, Luciano","Oxidative stress induced by copper and iron complexes with 8-hydroxyquinoline derivatives causes paraptotic death of HeLa cancer cells.","Molecular pharmaceutics","2014","11","4","1151","","10.1021/mp400592n","","","0.71073","MoKα","","0.1171","0.059","","","0.1236","0.1475","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514191","10.167","0.001","21.499","0.001","12.025","0.001","90","","93.542","0.002","90","","2623.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cu N2 O4 -","- C34 H24 Cu N2 O4 -","- C136 H96 Cu4 N8 O16 -","4","1","","Barilli, Amelia; Atzeri, Corrado; Bassanetti, Irene; Ingoglia, Filippo; Dall'asta, Valeria; Bussolati, Ovidio; Maffini, Monica; Mucchino, Claudio; Marchio, Luciano","Oxidative stress induced by copper and iron complexes with 8-hydroxyquinoline derivatives causes paraptotic death of HeLa cancer cells.","Molecular pharmaceutics","2014","11","4","1151","","10.1021/mp400592n","","","0.71073","MoKα","","0.0481","0.0356","","","0.0952","0.1024","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514192","13.884","0.0012","8.9553","0.0008","24.8969","0.0015","90","","104.109","0.004","90","","3002.2","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 O2 -","- C38 H46 O2 -","- C152 H184 O8 -","4","1","","Taylor, Rupert G D; Carta, Mariolino; Bezzu, C Grazia; Walker, Jonathan; Msayib, Kadhum J; Kariuki, Benson M; McKeown, Neil B","Triptycene-based organic molecules of intrinsic microporosity.","Organic letters","2014","16","7","1848","1851","10.1021/ol500591q","","","0.71073","MoKα","","0.1763","0.1006","","","0.22","0.2538","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514193","19.538","0.005","8.798","0.005","20.033","0.005","90","","114.939","0.005","90","","3122","2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 O2 -","- C38 H46 O2 -","- C152 H184 O8 -","4","1","","Taylor, Rupert G D; Carta, Mariolino; Bezzu, C Grazia; Walker, Jonathan; Msayib, Kadhum J; Kariuki, Benson M; McKeown, Neil B","Triptycene-based organic molecules of intrinsic microporosity.","Organic letters","2014","16","7","1848","1851","10.1021/ol500591q","","","0.71073","MoKα","","0.1452","0.0697","","","0.1405","0.1725","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514194","22.33","0.03","25.38","0.03","30.52","0.04","90","","110.84","0.001","90","","16165","4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C163.5 H165.5 Cl16.5 N2 O8 -","- C158 H160 N2 O8 -","- C632 H640 N8 O32 -","4","1","","Taylor, Rupert G D; Carta, Mariolino; Bezzu, C Grazia; Walker, Jonathan; Msayib, Kadhum J; Kariuki, Benson M; McKeown, Neil B","Triptycene-based organic molecules of intrinsic microporosity.","Organic letters","2014","16","7","1848","1851","10.1021/ol500591q","","","0.6889","","","0.1762","0.1411","","","0.3904","0.4248","","","","","","1.493","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514195","10.3108","0.0004","21.7962","0.0011","13.5496","0.0005","90","","96.881","0.003","90","","3023.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Br O5 -","- C33 H41 Br O5 -","- C132 H164 Br4 O20 -","4","1","","Xu, Shiyan; Gu, Jixiang; Li, Huilin; Ma, Donghui; Xie, Xingang; She, Xuegong","Enantioselective total synthesis of (-)-walsucochin B.","Organic letters","2014","16","7","1996","1999","10.1021/ol500553x","","","0.7107","MoKα","","0.1088","0.0558","","","0.1218","0.1523","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514196","10.4601","0.0008","21.5168","0.0017","9.1282","0.0007","90","","91.501","0.001","90","","2053.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 B Cl2 F2 N4 -","- C23 H15 B Cl2 F2 N4 -","- C92 H60 B4 Cl8 F8 N16 -","4","1","","Jiang, Ting; Zhang, Ping; Yu, Changjiang; Yin, Jian; Jiao, Lijuan; Dai, En; Wang, Jun; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Straightforward Synthesis of Oligopyrroles through a Regioselective SNAr Reaction of Pyrroles and Halogenated Boron Dipyrrins.","Organic letters","2014","16","7","1952","1955","10.1021/ol500507f","","","0.71073","MoKα","","0.0479","0.04","","","0.1092","0.1162","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514197","27.109","0.003","5.0418","0.0005","37.898","0.004","90","","106.676","0.001","90","","4962","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 B Cl2 F2 N4 -","- C27 H23 B Cl2 F2 N4 -","- C216 H184 B8 Cl16 F16 N32 -","8","1","","Jiang, Ting; Zhang, Ping; Yu, Changjiang; Yin, Jian; Jiao, Lijuan; Dai, En; Wang, Jun; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Straightforward Synthesis of Oligopyrroles through a Regioselective SNAr Reaction of Pyrroles and Halogenated Boron Dipyrrins.","Organic letters","2014","16","7","1952","1955","10.1021/ol500507f","","","0.71073","MoKα","","0.0802","0.0521","","","0.1539","0.1744","","","","","","1.087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514198","26.511","0.002","27.724","0.002","7.4876","0.0007","90","","90","","90","","5503.3","0.8","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C27 H24 Cl2 N4 -","- C27 H24 Cl2 N4 -","- C216 H192 Cl16 N32 -","8","","","Jiang, Ting; Zhang, Ping; Yu, Changjiang; Yin, Jian; Jiao, Lijuan; Dai, En; Wang, Jun; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Straightforward Synthesis of Oligopyrroles through a Regioselective SNAr Reaction of Pyrroles and Halogenated Boron Dipyrrins.","Organic letters","2014","16","7","1952","1955","10.1021/ol500507f","","","0.71073","MoKα","","0.0676","0.0444","","","0.1008","0.1082","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514199","9.6985","0.0009","25.546","0.003","17.0217","0.0017","90","","105.367","0.0019","90","","4066.5","0.7","113","2","113","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 -","- C30 H16 -","- C240 H128 -","8","2","","Nobusue, Shunpei; Yamane, Hiroshi; Miyoshi, Hirokazu; Tobe, Yoshito","[4.2](2,2')(2,2')biphenylophanetriyne: a twisted biphenylophane with a highly distorted diacetylene bridge.","Organic letters","2014","16","7","1940","1943","10.1021/ol5004934","","","0.71075","MoKα","","0.1225","0.0659","","","0.1433","0.1787","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514200","6.6165","0.0005","18.9916","0.0011","11.2416","0.0007","90","","93.587","0.004","90","","1409.83","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C64 H76 N12 O4 -","4","1","","Vekariya, Rakesh H; Liu, Ruzhang; Aubé, Jeffrey","A concomitant allylic azide rearrangement/intramolecular azide-alkyne cycloaddition sequence.","Organic letters","2014","16","7","1844","1847","10.1021/ol500011f","","","1.54178","CuKα","","0.0522","0.0439","","","0.1123","0.1172","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514201","6.614","0.0003","18.9847","0.0006","11.2005","0.0004","90","","90.675","0.002","90","","1406.29","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C64 H76 N12 O4 -","4","1","","Vekariya, Rakesh H; Liu, Ruzhang; Aubé, Jeffrey","A concomitant allylic azide rearrangement/intramolecular azide-alkyne cycloaddition sequence.","Organic letters","2014","16","7","1844","1847","10.1021/ol500011f","","","1.54178","CuKα","","0.0322","0.03","","","0.0769","0.0783","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514202","15.5492","0.0008","10.0774","0.0005","19.0625","0.001","90","","90","","90","","2987","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N3 O -","- C18 H21 N3 O -","- C144 H168 N24 O8 -","8","1","","Vekariya, Rakesh H; Liu, Ruzhang; Aubé, Jeffrey","A concomitant allylic azide rearrangement/intramolecular azide-alkyne cycloaddition sequence.","Organic letters","2014","16","7","1844","1847","10.1021/ol500011f","","","1.54178","CuKα","","0.0326","0.0326","","","0.0792","0.0792","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514203","6.7407","0.0004","16.6911","0.001","13.8906","0.0008","90","","98.6652","0.0016","90","","1544.99","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N3 O -","- C18 H21 N3 O -","- C72 H84 N12 O4 -","4","1","","Vekariya, Rakesh H; Liu, Ruzhang; Aubé, Jeffrey","A concomitant allylic azide rearrangement/intramolecular azide-alkyne cycloaddition sequence.","Organic letters","2014","16","7","1844","1847","10.1021/ol500011f","","","1.54178","CuKα","","0.0341","0.034","","","0.0801","0.0802","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514204","9.2253","0.0003","10.5676","0.0003","21.0165","0.0006","90","","97.559","0.001","90","","2031.08","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 N3 O2 -","- C22 H31 N3 O2 -","- C88 H124 N12 O8 -","4","1","","Vekariya, Rakesh H; Liu, Ruzhang; Aubé, Jeffrey","A concomitant allylic azide rearrangement/intramolecular azide-alkyne cycloaddition sequence.","Organic letters","2014","16","7","1844","1847","10.1021/ol500011f","","","1.54178","CuKα","","0.0336","0.033","","","0.0809","0.0812","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514205","6.4163","0.0009","14.742","0.002","21.517","0.003","90","","90","","90","","2035.3","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O5 -","- C24 H32 O5 -","- C96 H128 O20 -","4","1","","Wang, Sha-Sha; Shi, Yong; Tian, Wei-Sheng","Highly efficient and scalable synthesis of clionamine d.","Organic letters","2014","16","8","2177","2179","10.1021/ol500727c","","","0.71073","MoKα","","0.0898","0.0475","","","0.0996","0.1139","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514206","18.5052","0.0017","10.5619","0.001","24.279","0.002","90","","104.446","0.003","90","","4595.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N O2 S -","- C30 H23 N O2 S -","- C240 H184 N8 O16 S8 -","8","2","","Paul, Kartick; Bera, Krishnendu; Jalal, Swapnadeep; Sarkar, Soumen; Jana, Umasish","Fe-Catalyzed Novel Domino Isomerization/Cyclodehydration of Substituted 2-[(Indoline-3-ylidene)(methyl)]benzaldehyde Derivatives: An Efficient Approach toward Benzo[b]carbazole Derivatives.","Organic letters","2014","16","8","2166","2169","10.1021/ol500505k","","","0.71073","MoKα","","0.1605","0.059","","","0.1437","0.2084","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514207","9.1082","0.0008","9.9885","0.0008","27.957","0.002","90","","90","","90","","2543.5","0.4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H31 N O3 -","- C31 H31 N O3 -","- C124 H124 N4 O12 -","4","1","","Curto, John M; Dickstein, Joshua S; Berritt, Simon; Kozlowski, Marisa C","Asymmetric Synthesis of α-Allyl-α-Aryl α-Amino Acids by Tandem Alkylation/π-Allylation of α-Iminoesters.","Organic letters","2014","16","7","1948","1951","10.1021/ol500506t","","","1.54178","CuKα","","0.0232","0.0229","","","0.0576","0.0579","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514208","9.0234","0.001","9.1282","0.0015","10.3014","0.0013","78.99","0.02","70.106","0.018","65.402","0.015","724.2","0.2","296","1","296","1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Curto, John M; Dickstein, Joshua S; Berritt, Simon; Kozlowski, Marisa C","Asymmetric Synthesis of α-Allyl-α-Aryl α-Amino Acids by Tandem Alkylation/π-Allylation of α-Iminoesters.","Organic letters","2014","16","7","1948","1951","10.1021/ol500506t","","","0.71073","MoKα","","0.0586","0.0495","","","0.1367","0.15","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514209","29.758","0.003","6.786","0.0007","16.7258","0.0018","90","","117.029","0.003","90","","3008.7","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H33 N3 O9 S2 -","- C28 H33 N3 O9 S2 -","- C112 H132 N12 O36 S8 -","4","1","","Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide-Induced Aminocyclization-Aziridine Ring-Expansion Cascade: An Asymmetric and Highly Stereoselective Approach toward the Synthesis of Azepane.","Organic letters","2014","16","8","2134","2137","10.1021/ol5005609","","","0.71073","MoKα","","0.0826","0.0536","","","0.1033","0.1122","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514210","11.0231","0.0016","6.0412","0.0008","17.742","0.003","90","","106.574","0.005","90","","1132.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 Br N2 O2 -","- C24 H31 Br N2 O2 -","- C48 H62 Br2 N4 O4 -","2","1","","Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide-Induced Aminocyclization-Aziridine Ring-Expansion Cascade: An Asymmetric and Highly Stereoselective Approach toward the Synthesis of Azepane.","Organic letters","2014","16","8","2134","2137","10.1021/ol5005609","","","0.71073","MoKα","","0.062","0.0473","","","0.1097","0.115","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514211","15.553","0.005","9.326","0.005","32.444","0.005","90","","94.255","0.005","90","","4693","3","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H35 N O5 -","- C23 H35 N O5 -","- C184 H280 N8 O40 -","8","4","","Zhang, Xiaofei; Cividino, Pascale; Poisson, Jean-François; Shpak-Kraievskyi, Pavlo; Laurent, Mathieu Y; Martel, Arnaud; Dujardin, Gilles; Py, Sandrine","Asymmetric Synthesis of α,α-Disubstituted Amino Acids by Cycloaddition of (E)-Ketonitrones with Vinyl Ethers.","Organic letters","2014","16","7","1936","1939","10.1021/ol500483t","","x-ray","0.71073","MoKα","","0.0982","0.0669","","","0.1643","0.1808","","","","","","1.068","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1514212","6.5131","0.0013","7.9315","0.0016","9.954","0.002","90.89","0.03","94.28","0.03","112.44","0.03","473.4","0.2","297","","297","","","","","","","","","4","P 1","P 1","1","","","","- C18 H25 N O6 -","- C18 H25 N O6 -","- C18 H25 N O6 -","1","1","","Zhang, Xiaofei; Cividino, Pascale; Poisson, Jean-François; Shpak-Kraievskyi, Pavlo; Laurent, Mathieu Y; Martel, Arnaud; Dujardin, Gilles; Py, Sandrine","Asymmetric Synthesis of α,α-Disubstituted Amino Acids by Cycloaddition of (E)-Ketonitrones with Vinyl Ethers.","Organic letters","2014","16","7","1936","1939","10.1021/ol500483t","","x-ray","1.54178","CuKα","","0.0679","0.0526","","","0.1394","0.1529","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514213","26.5845","0.0009","9.3012","0.0003","14.1691","0.0004","90","","112.536","0.002","90","","3236.03","0.18","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H44 N O11 -","- C28 H44 N O11 -","- C112 H176 N4 O44 -","4","1","","Zhang, Xiaofei; Cividino, Pascale; Poisson, Jean-François; Shpak-Kraievskyi, Pavlo; Laurent, Mathieu Y; Martel, Arnaud; Dujardin, Gilles; Py, Sandrine","Asymmetric Synthesis of α,α-Disubstituted Amino Acids by Cycloaddition of (E)-Ketonitrones with Vinyl Ethers.","Organic letters","2014","16","7","1936","1939","10.1021/ol500483t","","","0.71073","MoKα","","0.098","0.0541","","","0.1463","0.1799","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514214","9.2339","0.0008","11.8223","0.0011","17.1508","0.0015","90","","98.572","0.002","90","","1851.4","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H20 F3 N O7 -","- C14 H20 F3 N O7 -","- C56 H80 F12 N4 O28 -","4","2","","Zhang, Xiaofei; Cividino, Pascale; Poisson, Jean-François; Shpak-Kraievskyi, Pavlo; Laurent, Mathieu Y; Martel, Arnaud; Dujardin, Gilles; Py, Sandrine","Asymmetric Synthesis of α,α-Disubstituted Amino Acids by Cycloaddition of (E)-Ketonitrones with Vinyl Ethers.","Organic letters","2014","16","7","1936","1939","10.1021/ol500483t","","","0.71073","MoKα","","0.1921","0.0601","","","0.0964","0.1313","","","","","","0.934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514215","13.4387","0.001","11.3409","0.0008","13.8597","0.001","90","","97.954","0.0007","90","","2092","0.3","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Tatton, Matthew R; Simpson, Iain; Donohoe, Timothy J","De novo synthesis of multisubstituted aryl amines using alkene cross metathesis.","Organic letters","2014","16","7","1920","1923","10.1021/ol500441q","","","0.7107","MoKα","","0.09","0.0542","","0.1578","0.1231","0.1574","","","","","","0.977","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514216","13.287","0.0005","11.2749","0.0003","13.4828","0.0005","87.937","0.003","97.022","0.003","88.976","0.003","2002.9","0.12","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","2","","Tatton, Matthew R; Simpson, Iain; Donohoe, Timothy J","De novo synthesis of multisubstituted aryl amines using alkene cross metathesis.","Organic letters","2014","16","7","1920","1923","10.1021/ol500441q","","","0.7107","MoKα","","0.0778","0.055","","0.1336","0.1167","0.1336","","","","","","0.9729","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514217","20.1806","0.0005","9.8469","0.0002","16.1504","0.0004","90","","116.648","0.001","90","","2868.45","0.12","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","BL-07-23","","","- C16 H14 Br N S -","- C16 H14 Br N S -","- C128 H112 Br8 N8 S8 -","8","1","","Lemercier, Bérénice C; Pierce, Joshua G","Synthesis of thiazolines by copper catalyzed aminobromination of thiohydroximic acids.","Organic letters","2014","16","7","2074","2076","10.1021/ol500588v","","","0.71073","MoKα","","0.0347","0.025","","","0.0593","0.0621","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514218","16.8408","0.001","14.2476","0.0008","19.6198","0.0011","90","","90","","90","","4707.6","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H28 O4 -","- C28 H28 O4 -","- C224 H224 O32 -","8","1","","Zhu, Mengyun; Liu, Jinqian; Yu, Jianjun; Chen, Liangshun; Zhang, Chunmei; Wang, Limin","AlCl3-Promoted Formal [2 + 3]-Cycloaddition of 1,1-Cyclopropane Diesters with N-Benzylic Sulfonamides To Construct Highly Stereoselective Indane Derivatives.","Organic letters","2014","16","7","1856","1859","10.1021/ol500136x","","","0.71073","MoKα","","0.0614","0.0428","","","0.1118","0.1248","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514219","10.8042","0.0016","11.3229","0.0018","12.0046","0.0018","62.987","0.002","77.86","0.003","71.848","0.003","1239.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 N O5 -","- C29 H31 N O5 -","- C58 H62 N2 O10 -","2","1","","Pan, Bin; Lu, Xiaodong; Wang, Chunxiang; Hu, Yancheng; Wu, Fan; Wan, Boshun","Gold(I)-Catalyzed Intra- and Intermolecular Alkenylations of β-Yne-pyrroles: Facile Formation of Fused Cycloheptapyrroles and Functionalized Pyrroles.","Organic letters","2014","16","8","2244","2247","10.1021/ol500744k","","","0.71073","MoKα","","0.0587","0.0459","","","0.1345","0.1498","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514220","12.6698","0.0006","5.9884","0.0004","12.7916","0.0008","90","","112.067","0.002","90","","899.43","0.09","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","APE3","","","- C17 H17 Br N2 O4 S -","- C17 H17 Br N2 O4 S -","- C34 H34 Br2 N4 O8 S2 -","2","1","","Pascual-Escudero, Ana; González-Esguevillas, María; Padilla, Silvia; Adrio, Javier; Carretero, Juan C","Enantioselective Synthesis of α-Heteroarylpyrrolidines by Copper-Catalyzed 1,3-Dipolar Cycloaddition of α-Silylimines.","Organic letters","2014","16","8","2228","2231","10.1021/ol5007373","","","0.71073","","","0.0335","0.0277","","","0.0768","0.1","","","","","","1.184","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514221","6.0087","0.0004","17.4567","0.0009","15.2518","0.0012","90","","91.114","0.002","90","","1599.49","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","APE2","","","- C17 H14 Br N3 O2 -","- C17 H14 Br N3 O2 -","- C68 H56 Br4 N12 O8 -","4","2","","Pascual-Escudero, Ana; González-Esguevillas, María; Padilla, Silvia; Adrio, Javier; Carretero, Juan C","Enantioselective Synthesis of α-Heteroarylpyrrolidines by Copper-Catalyzed 1,3-Dipolar Cycloaddition of α-Silylimines.","Organic letters","2014","16","8","2228","2231","10.1021/ol5007373","","","0.71073","","","0.1224","0.0541","","","0.1331","0.183","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514222","26.574","0.0004","26.574","0.0004","6.5612","0.0001","90","","90","","120","","4012.62","0.11","140","2","140","2","","","","","","","","3","P 61","P 61","169","","","","- C29 H46 O3 -","- C29 H46 O3 -","- C174 H276 O18 -","6","1","","Gong, Jun; Sun, Peng; Jiang, Nan; Riccio, Raffaele; Lauro, Gianluigi; Bifulco, Giuseppe; Li, Tie-Jun; Gerwick, William H; Zhang, Wen","New Steroids with a Rearranged Skeleton as (h)P300 Inhibitors from the Sponge Theonella swinhoei.","Organic letters","2014","16","8","2224","2227","10.1021/ol5007345","","","1.54178","CuKα","","0.0903","0.0805","","","0.2237","0.2327","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514223","10.1035","0.0004","10.4542","0.0005","15.8794","0.0007","90","","90","","90","","1677.25","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Li, Xu-Yang; Yang, Yuan-Feng; Peng, Xing-Rong; Li, Ming-Ming; Li, Liang-Qun; Deng, Xu; Qin, Hong-Bo; Liu, Jie-Qing; Qiu, Ming-Hua","One-step semisynthesis method of spirocurcasone and pyracurcasone from curcusones a and B.","Organic letters","2014","16","8","2196","2199","10.1021/ol500692j","","","1.54178","CuKα","","0.0428","0.0428","","","0.1179","0.1179","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514224","10.067","0.0002","10.4909","0.0003","15.8591","0.0004","90","","90","","90","","1674.91","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Li, Xu-Yang; Yang, Yuan-Feng; Peng, Xing-Rong; Li, Ming-Ming; Li, Liang-Qun; Deng, Xu; Qin, Hong-Bo; Liu, Jie-Qing; Qiu, Ming-Hua","One-step semisynthesis method of spirocurcasone and pyracurcasone from curcusones a and B.","Organic letters","2014","16","8","2196","2199","10.1021/ol500692j","","","1.54178","CuKα","","0.031","0.0301","","","0.0845","0.0939","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514242","6.0001","0.0002","11.0822","0.0004","7.5504","0.0002","90","","94.0457","0.0016","90","","500.81","0.03","110","","110","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","HDCTA","","- C4 H N5 -","- C4 H N5 -","- C16 H4 N20 -","4","1","","McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.","Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI","The Journal of Physical Chemistry C","2014","118","15","7781","","10.1021/jp412601x","","","0.71073","MoKα","","0.0499","0.0422","","","0.1104","0.1144","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514243","7.3027","0.0002","12.0514","0.0003","13.4782","0.0003","78.9079","0.0013","84.1793","0.0016","73.2896","0.0013","1113.53","0.05","110","","110","","","","","","","","","5","P -1","-P 1","2","","(G1)1-LiDCTA","","- C16 H20 Li2 N10 O4 -","- C16 H20 Li2 N10 O4 -","- C32 H40 Li4 N20 O8 -","2","1","","McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.","Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI","The Journal of Physical Chemistry C","2014","118","15","7781","","10.1021/jp412601x","","","1.54178","CuKα","","0.0431","0.0398","","","0.107","0.1101","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514244","9.1877","0.0002","9.2708","0.0002","9.6723","0.0002","104.991","0.0012","111.404","0.0012","103.684","0.0013","688.94","0.03","110","","110","","","","","","","","","5","P -1","-P 1","2","","(G2)1-LiDCTA","","- C20 H28 Li2 N10 O6 -","- C20 H28 Li2 N10 O6 -","- C20 H28 Li2 N10 O6 -","1","0.5","","McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.","Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI","The Journal of Physical Chemistry C","2014","118","15","7781","","10.1021/jp412601x","","","0.71073","MoKα","","0.0797","0.0453","","","0.1088","0.1237","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514245","6.327","0.002","7.943","0.003","14.558","0.007","90","","90","","90","","731.6","0.5","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","HTDI","","- C6 H F3 N4 -","- C6 H F3 N4 -","- C24 H4 F12 N16 -","4","1","","McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.","Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI","The Journal of Physical Chemistry C","2014","118","15","7781","","10.1021/jp412601x","","","0.71073","MoKα","","0.0376","0.0326","","","0.0794","0.0817","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514246","8.5394","0.0002","9.0672","0.0002","12.4686","0.0003","84.359","0.001","84.592","0.001","86.347","0.001","955.03","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","DM730","","","- C14 H20 F3 Li N4 O4 -","- C14 H20 F3 Li N4 O4 -","- C28 H40 F6 Li2 N8 O8 -","2","1","","McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.","Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI","The Journal of Physical Chemistry C","2014","118","15","7781","","10.1021/jp412601x","","","0.71073","MoKα","","0.049","0.0386","","","0.107","0.1145","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514247","15.741","0.004","16.454","0.005","18.665","0.006","90","","90","","90","","4834","2","198","","198","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(G2)2-LiTDI","","- C18 H28 F3 Li N4 O6 -","- C18 H28 F3 Li N4 O6 -","- C144 H224 F24 Li8 N32 O48 -","8","1","","McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.","Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI","The Journal of Physical Chemistry C","2014","118","15","7781","","10.1021/jp412601x","","","0.71073","MoKα","","0.11","0.0785","","","0.2137","0.2423","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514248","7.2884","0.0015","14.667","0.004","17.635","0.004","90","","108.341","0.006","90","","1789.4","0.7","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(G3)1-LiTDI","","- C14 H18 F3 Li N4 O4 -","- C14 H18 F3 Li N4 O4 -","- C56 H72 F12 Li4 N16 O16 -","4","1","","McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.","Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI","The Journal of Physical Chemistry C","2014","118","15","7781","","10.1021/jp412601x","","","0.71073","MoKα","","0.0791","0.0468","","","0.1102","0.1244","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514249","8.521","0.003","8.659","0.003","10.512","0.003","100.382","0.015","101.817","0.015","113.835","0.012","663.8","0.4","110","","110","","","","","","","","","5","P -1","-P 1","2","","(AN)2-LiTDI","","- C20 H12 F6 Li2 N12 -","- C20 H12 F6 Li2 N12 -","- C20 H12 F6 Li2 N12 -","1","0.5","","McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.","Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI","The Journal of Physical Chemistry C","2014","118","15","7781","","10.1021/jp412601x","","","0.71073","MoKα","","0.0833","0.0522","","","0.1382","0.1543","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514250","8.128","0.002","8.606","0.002","8.614","0.002","73.415","0.016","85.388","0.011","88.509","0.012","575.6","0.2","110","","110","","","","","","","","","6","P -1","-P 1","2","","(THF)1-LiTDI","","- C10 H8 F3 Li N4 O -","- C10 H8 F3 Li N4 O -","- C20 H16 F6 Li2 N8 O2 -","2","1","","McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.","Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI","The Journal of Physical Chemistry C","2014","118","15","7781","","10.1021/jp412601x","","","0.71073","MoKα","","0.0679","0.0417","","","0.098","0.1103","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514251","11.582","0.004","8.604","0.003","14.248","0.005","90","","125.08","0.009","90","","1161.9","0.7","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(EC)1-LiTDI","","- C9 H4 F3 Li N4 O3 -","- C9 H4 F3 Li N4 O3 -","- C36 H16 F12 Li4 N16 O12 -","4","1","","McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.","Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI","The Journal of Physical Chemistry C","2014","118","15","7781","","10.1021/jp412601x","","","0.71073","MoKα","","0.0794","0.043","","","0.0983","0.1119","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514252","9.2612","0.0015","14.667","0.003","11.5933","0.0019","90","","127.825","0.006","90","","1243.9","0.4","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(PC)1-LiTDI","","- C10 H6 F3 Li N4 O3 -","- C10 H6 F3 Li N4 O3 -","- C40 H24 F12 Li4 N16 O12 -","4","1","","McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.","Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI","The Journal of Physical Chemistry C","2014","118","15","7781","","10.1021/jp412601x","","","0.71073","MoKα","","0.1225","0.059","","","0.1383","0.1861","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514253","15.114","0.005","8.782","0.003","15.345","0.005","90","","95.378","0.015","90","","2027.8","1.2","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(DMC)1-(LiTDI)2","","- C15 H6 F6 Li2 N8 O3 -","- C15 H6 F6 Li2 N8 O3 -","- C60 H24 F24 Li8 N32 O12 -","4","0.5","","McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.","Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI","The Journal of Physical Chemistry C","2014","118","15","7781","","10.1021/jp412601x","","","0.71073","MoKα","","0.0715","0.0484","","","0.1209","0.1312","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514254","9.6504","0.0011","10.0633","0.0012","12.6865","0.0012","73.782","0.01","80.037","0.009","62.461","0.012","1047.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Cl I2 O3 -","- C21 H17 Cl I2 O3 -","- C42 H34 Cl2 I4 O6 -","2","1","","Wang, Jia; Zhu, Hai-Tao; Li, Ying-Xiu; Wang, Li-Jing; Qiu, Yi-Feng; Qiu, Zi-Hang; Zhong, Mei-Jin; Liu, Xue-Yuan; Liang, Yong-Min","Facile Synthesis of Halogenated Spiroketals via a Tandem Iodocyclization.","Organic letters","2014","16","8","2236","2239","10.1021/ol500741a","","","0.7107","MoKα","","0.0591","0.0447","","","0.0905","0.1048","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514255","9.5417","0.0005","10.255","0.0007","12.6145","0.0008","73.414","0.006","84.654","0.005","68.761","0.005","1102.55","0.13","121.16","0.1","121.16","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 I3 O3 -","- C21 H17 I3 O3 -","- C42 H34 I6 O6 -","2","1","","Wang, Jia; Zhu, Hai-Tao; Li, Ying-Xiu; Wang, Li-Jing; Qiu, Yi-Feng; Qiu, Zi-Hang; Zhong, Mei-Jin; Liu, Xue-Yuan; Liang, Yong-Min","Facile Synthesis of Halogenated Spiroketals via a Tandem Iodocyclization.","Organic letters","2014","16","8","2236","2239","10.1021/ol500741a","","","0.71073","MoKα","","0.0511","0.0405","","","0.0897","0.0976","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514256","9.8687","0.0009","12.9702","0.0011","29.514","0.003","90","","90","","90","","3777.8","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","13214z","","","- C20 H18 Cl N O4 S -","- C20 H18 Cl N O4 S -","- C160 H144 Cl8 N8 O32 S8 -","8","1","","He, Shuzhong; Hsung, Richard P; Presser, William R; Ma, Zhi-Xiong; Haugen, Bryan J","An Approach to Cyclohepta[b]indoles through an Allenamide (4 + 3) Cycloaddition-Grignard Cyclization-Chugaev Elimination Sequence.","Organic letters","2014","16","8","2180","2183","10.1021/ol5006455","","","1.54178","CuKα","","0.0649","0.0451","","","0.0955","0.1063","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514257","12.6816","0.0004","13.5032","0.0005","13.3486","0.0005","90","","96.061","0.002","90","","2273.07","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 F N2 O2 -","- C29 H23 F N2 O2 -","- C116 H92 F4 N8 O8 -","4","1","","Laouiti, Anouar; Couty, François; Marrot, Jérome; Boubaker, Taoufik; Rammah, Mohamed M; Rammah, Mohamed B; Evano, Gwilherm","Exploring the anionic reactivity of ynimines, useful precursors of metalated ketenimines.","Organic letters","2014","16","8","2252","2255","10.1021/ol500749h","","","0.71073","MoKα","","0.072","0.0439","","","0.1084","0.1266","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514258","19.789","0.003","6.2044","0.0012","20.095","0.003","90","","100.538","0.008","90","","2425.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O2 Si -","- C26 H28 N2 O2 Si -","- C104 H112 N8 O8 Si4 -","4","1","","Laouiti, Anouar; Couty, François; Marrot, Jérome; Boubaker, Taoufik; Rammah, Mohamed M; Rammah, Mohamed B; Evano, Gwilherm","Exploring the anionic reactivity of ynimines, useful precursors of metalated ketenimines.","Organic letters","2014","16","8","2252","2255","10.1021/ol500749h","","","0.71073","MoKα","","0.1453","0.0713","","","0.1841","0.2327","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514262","10.48171","0.00011","13.11257","0.00016","30.7357","0.0004","90","","90","","90","","4224.38","0.09","99.3","","99.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O5 -","- C22 H34 O5 -","- C176 H272 O40 -","8","2","","Li, Hui; Li, Man-Man; Su, Xiao-Qin; Sun, Jing; Gu, Yu-Fan; Zeng, Ke-Wu; Zhang, Qian; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Li, Jun; Tu, Peng-Fei","Anti-inflammatory Labdane Diterpenoids from Lagopsis supina.","Journal of natural products","2014","77","4","1047","1053","10.1021/np5001329","","","1.5418","CuKα","","0.0372","0.0357","","","0.0911","0.0925","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514263","8.569","0.0019","9.647","0.002","13.03","0.003","69.226","0.005","72.615","0.004","79.106","0.004","956.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 N2 S2 -","- C24 H12 N2 S2 -","- C48 H24 N4 S4 -","2","1","","Shi, Jianwu; Zhao, Wenling; Xu, Li; Kan, Yuhe; Li, Chunli; Song, Jinsheng; Wang, Hua","Small Molecules of Cyclopentadithiophene Derivatives: Effect of Sulfur Atoms Position and Substituted Groups on Their UV-abs Properties.","The journal of physical chemistry. A","2014","118","15","7844","","10.1021/jp5009048","","","0.71073","MoKα","","0.105","0.0884","","","0.2707","0.2774","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514264","9.4678","0.0014","20.285","0.003","9.5649","0.0013","90","","116.62","0.003","90","","1642.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 O S2 -","- C21 H12 O S2 -","- C84 H48 O4 S8 -","4","1","","Shi, Jianwu; Zhao, Wenling; Xu, Li; Kan, Yuhe; Li, Chunli; Song, Jinsheng; Wang, Hua","Small Molecules of Cyclopentadithiophene Derivatives: Effect of Sulfur Atoms Position and Substituted Groups on Their UV-abs Properties.","The journal of physical chemistry. A","2014","118","15","7844","","10.1021/jp5009048","","","0.71073","MoKα","","0.0796","0.0458","","","0.1058","0.1205","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514265","8.601","0.0017","22.967","0.005","9.524","0.0019","90","","104.23","0.03","90","","1823.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O3 S -","- C18 H20 N2 O3 S -","- C72 H80 N8 O12 S4 -","4","1","","Jung, Da Jung; Jeon, Hyun Ji; Kim, Ju Hyun; Kim, Youngmee; Lee, Sang-Gi","DMF as a Source of Oxygen and Aminomethine: Stereoselective 1,2-Insertion of Rhodium(II) Azavinyl Carbenes into the C═O Bond of Formamides for the Synthesis of cis-Diamino Enones.","Organic letters","2014","16","8","2208","2211","10.1021/ol500723s","","","0.71073","MoKα","","0.0775","0.0472","","","0.1164","0.1292","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514266","15.6742","0.001","5.4689","0.0004","21.5676","0.0015","90","","90.055","0.006","90","","1848.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 N2 -","- C46 H56 N2 -","- C92 H112 N4 -","2","0.5","","Levick, Matthew T; Grace, Iain; Dai, Sheng-Yao; Kasch, Nicholas; Muryn, Christopher; Lambert, Colin; Turner, Michael L; Procter, David J","A Sm(II)-Mediated Cascade Approach to Dibenzoindolo[3,2-b]carbazoles: Synthesis and Evaluation.","Organic letters","2014","16","8","2292","2295","10.1021/ol500841b","","","1.54178","CuKα","","0.0927","0.0606","","","0.139","0.1601","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514267","5.9862","0.0005","16.452","0.002","20.776","0.0018","95.482","0.009","94.572","0.007","97.856","0.009","2008.7","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H64 N2 -","- C50 H64 N2 -","- C100 H128 N4 -","2","1","","Levick, Matthew T; Grace, Iain; Dai, Sheng-Yao; Kasch, Nicholas; Muryn, Christopher; Lambert, Colin; Turner, Michael L; Procter, David J","A Sm(II)-Mediated Cascade Approach to Dibenzoindolo[3,2-b]carbazoles: Synthesis and Evaluation.","Organic letters","2014","16","8","2292","2295","10.1021/ol500841b","","","1.5418","CuKα","","0.2047","0.0886","","","0.175","0.2254","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514268","16.0145","0.0004","6.92267","0.0001","22.8872","0.0004","90","","90.15","0.002","90","","2537.34","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O -","- C17 H14 O -","- C136 H112 O8 -","8","2","","Barroso, Raquel; Valencia, Rocío A; Cabal, María-Paz; Valdés, Carlos","Pd-Catalyzed Autotandem C-C/C-C Bond-Forming Reactions with Tosylhydrazones: Synthesis of Spirocycles with Extended π-Conjugation.","Organic letters","2014","16","8","2264","2267","10.1021/ol500778u","","","1.54184","CuKα","","0.0534","0.047","","","0.1423","0.1515","","","","","","1.045","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514269","9.7709","0.001","29.277","0.003","10.1465","0.0011","90","","98.78","0.002","90","","2868.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 N2 O2 S -","- C34 H30 N2 O2 S -","- C136 H120 N8 O8 S4 -","4","1","","Liu, Xuliang; Gao, Ang; Ding, Lei; Xu, Juan; Zhao, Baoguo","Aminative umpolung synthesis of aryl vicinal diamines from aromatic aldehydes.","Organic letters","2014","16","8","2118","2121","10.1021/ol500522d","","","0.71073","MoKα","","0.0999","0.0686","","","0.173","0.1904","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514270","12.504","0.002","17.249","0.003","26.231","0.004","90","","95.167","0.004","90","","5634.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 O2 S -","- C34 H30 N2 O2 S -","- C272 H240 N16 O16 S8 -","8","2","","Liu, Xuliang; Gao, Ang; Ding, Lei; Xu, Juan; Zhao, Baoguo","Aminative umpolung synthesis of aryl vicinal diamines from aromatic aldehydes.","Organic letters","2014","16","8","2118","2121","10.1021/ol500522d","","","0.71073","MoKα","","0.1331","0.0895","","","0.2293","0.2732","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514271","7.055","0.005","8.528","0.005","11.612","0.005","91.367","0.005","107.144","0.005","93.909","0.005","665.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 F N2 O2 -","- C15 H15 F N2 O2 -","- C30 H30 F2 N4 O4 -","2","1","","Ghorai, Manas K; Talukdar, Ranadeep; Tiwari, Deo Prakash","A Route to Highly Functionalized β-Enaminoesters via a Domino Ring-Opening Cyclization/Decarboxylative Tautomerization Sequence of Donor-Acceptor Cyclopropanes with Substituted Malononitriles.","Organic letters","2014","16","8","2204","2207","10.1021/ol5007218","","","0.71069","MoKα","","0.0556","0.0425","","","0.1009","0.1225","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514272","9.2974","0.0007","9.5428","0.0006","15.3051","0.0011","90","","90.768","0.002","90","","1357.8","0.17","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F N2 O2 -","- C15 H15 F N2 O2 -","- C60 H60 F4 N8 O8 -","4","1","","Ghorai, Manas K; Talukdar, Ranadeep; Tiwari, Deo Prakash","A Route to Highly Functionalized β-Enaminoesters via a Domino Ring-Opening Cyclization/Decarboxylative Tautomerization Sequence of Donor-Acceptor Cyclopropanes with Substituted Malononitriles.","Organic letters","2014","16","8","2204","2207","10.1021/ol5007218","","","0.71073","MoKα","","0.0563","0.0376","","","0.0778","0.0847","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514273","12.669","0.004","12.248","0.004","31.45","0.01","90","","90.014","0.006","90","","4880","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","palladium(II)carbene","","","- C55 H55 Cl2 N2 P Pd -","- C55 H55 Cl2 N2 P Pd -","- C220 H220 Cl8 N8 P4 Pd4 -","4","2","","Crawford, Katherine A.; Cowley, Alan H.; Humphrey, Simon M.","Bis(imino)acenaphthene (BIAN)-supported palladium(ii) carbene complexes as effective C‒C coupling catalysts and solvent effects in organic and aqueous media","Catalysis Science & Technology","2014","4","5","1456","","10.1039/c4cy00192c","","","0.71073","MoKα","","0.0823","0.0767","","","0.1611","0.1644","","","","","","1.288","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514274","14.997","0.003","8.3386","0.0015","17.151","0.003","90","","99.979","0.003","90","","2112.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H40 Mo N2 O6 -","- C17 H40 Mo N2 O6 -","- C68 H160 Mo4 N8 O24 -","4","1","","Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C.","Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation","Chemical Science","2014","5","5","1772","","10.1039/c4sc00132j","","","0.71073","MoKα","","0.0198","0.0181","","","0.047","0.0479","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514275","10.7577","0.0011","13.0244","0.0013","25.943","0.003","90","","90.884","0.002","90","","3634.5","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C82 H72 Mo N6 O8 P4 -","- C82 H72 Mo N6 O8 P4 -","- C164 H144 Mo2 N12 O16 P8 -","2","1","","Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C.","Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation","Chemical Science","2014","5","5","1772","","10.1039/c4sc00132j","","","0.71073","MoKα","","0.0373","0.0355","","","0.091","0.0918","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514276","21.931","0.008","12.235","0.005","26.654","0.01","90","","92.141","0.006","90","","7147","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H80 Cl6 Mo N2 O7 P4 -","- C77.213 H67.813 Cl6.458 Mo N2 O6.071 P4 -","- C308.852 H271.252 Cl25.832 Mo4 N8 O24.284 P16 -","4","1","","Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C.","Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation","Chemical Science","2014","5","5","1772","","10.1039/c4sc00132j","","","0.71073","MoKα","","0.0716","0.0596","","","0.1653","0.1785","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514277","9.5528","0.0006","10.1091","0.0005","16.166","0.0009","90","","104.844","0.005","90","","1509.05","0.15","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.","Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes","Chemical Science","2014","5","5","1777","","10.1039/c3sc53256a","","","0.71073","MoKα","","0.0833","0.0515","","","0.0891","0.1023","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514278","10.7552","0.0007","10.1502","0.0007","14.9906","0.0008","90","","93.447","0.005","90","","1633.52","0.18","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.","Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes","Chemical Science","2014","5","5","1777","","10.1039/c3sc53256a","","","0.71073","MoKα","","0.0814","0.0471","","","0.1","0.1191","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514279","5.6981","0.0007","8.6185","0.0007","32.841","0.007","90","","90","","90","","1612.8","0.4","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.","Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes","Chemical Science","2014","5","5","1777","","10.1039/c3sc53256a","","","1.5418","CuKα","","0.0786","0.0626","","","0.1561","0.1667","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514280","13.4714","0.0004","5.8443","0.0002","19.1637","0.0006","90","","103.276","0.003","90","","1468.45","0.08","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.","Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes","Chemical Science","2014","5","5","1777","","10.1039/c3sc53256a","","","1.5418","CuKα","","0.0514","0.0406","","","0.1023","0.1103","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514281","13.2321","0.0001","15.7048","0.0001","16.7382","0.0002","90","","114.833","0.0005","90","","3156.7","0.05","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 Cl2 N O4 P2 Re -","- C27 H44 Cl2 N O4 P2 Re -","- C108 H176 Cl8 N4 O16 P8 Re4 -","4","1","","Vogt, Matthias; Nerush, Alexander; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Reversible CO2 binding triggered by metal‒ligand cooperation in a rhenium(i) PNP pincer-type complex and the reaction with dihydrogen","Chemical Science","2014","5","5","2043","","10.1039/c4sc00130c","","","0.71073","MoKα","","0.0529","0.0384","","","0.0939","0.0995","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514282","7.554","0.0001","17.939","0.0004","21.6527","0.0006","66.669","0.002","87.131","0.002","86.992","0.002","2689.18","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H27 N O3 Pt -","- C37 H27 N O3 Pt -","- C148 H108 N4 O12 Pt4 -","4","2","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.0819","0.0524","","","0.1165","0.1222","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514283","8.5103","0.0008","30.003","0.002","9.119","0.0008","90","","112.41","0.01","90","","2152.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C32 H21 N O -","- C32 H21 N O -","- C128 H84 N4 O4 -","4","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.1255","0.0423","","","0.0599","0.0715","","","","","","0.714","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514284","13.2528","0.0002","14.7365","0.0002","18.3823","0.0003","90","","90","","90","","3590.06","0.09","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H31 Cl4 N O2 Pt S -","- C41 H31 Cl4 N O2 Pt S -","- C164 H124 Cl16 N4 O8 Pt4 S4 -","4","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.031","0.027","","","0.0719","0.0729","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514285","7.7976","0.0002","13.3596","0.0004","15.247","0.0004","90","","93.639","0.002","90","","1585.12","0.08","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H30 Cl N O2 Pt S -","- C40 H30 Cl N O2 Pt S -","- C80 H60 Cl2 N2 O4 Pt2 S2 -","2","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.0641","0.0418","","","0.079","0.0826","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514286","7.5661","0.0002","12.3042","0.0003","7.9592","0.0003","90","","105.511","0.003","90","","713.97","0.04","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.0398","0.0319","","","0.0677","0.0695","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514287","17.2805","0.0002","17.2812","0.0002","12.5128","0.0002","90","","90","","90","","3736.67","0.09","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H33 Cl5 N2 O2 Pt2 S2 -","- C37 H33 Cl5 N2 O2 Pt2 S2 -","- C148 H132 Cl20 N8 O8 Pt8 S8 -","4","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.0509","0.0312","","","0.0397","0.0415","","","","","","0.796","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514288","11.8533","0.0002","9.9205","0.0001","22.5187","0.0004","90","","103.333","0.002","90","","2576.62","0.07","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N2 O4 Pt2 -","- C30 H26 N2 O4 Pt2 -","- C120 H104 N8 O16 Pt8 -","4","0.5","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71069","MoKα","","0.0307","0.0232","","","0.0586","0.0603","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514289","12.949","0.002","17.658","0.003","32.897","0.005","90","","90.081","0.005","90","","7522","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(4,8,14,18,23,27-hexa-azonia-1,11-diaza-6(9,10)-anthracena-16,25(1,4)-dibenzena bicyclo[9.9.9]nonacosaphane perrhenate clathrate) penta(triflate) heptahydrate","","","- C49 H78 F15 N8 O26 Re S5 -","- C49 H64 F15 N8 O26 Re S5 -","- C196 H256 F60 N32 O104 Re4 S20 -","4","1","","Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Alberto, Roger; Braband, Henrik","Fluorescent sensing of 99Tc pertechnetate in water","Chemical Science","2014","5","5","1820","","10.1039/c3sc53504e","","","0.71073","MoKα","","0.093","0.0595","","","0.1547","0.1786","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514290","13.0099","0.0002","17.557","0.0004","32.9333","0.0004","90","","89.226","0.001","90","","7521.8","0.2","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(4,8,14,18,23,27-hexa-azonia-1,11-diaza-6(9,10)-anthracena-16,25(1,4)-dibenzena bicyclo[9.9.9]nonacosaphane pertechnetate clathrate) penta(triflate) heptahydrate","","","- C49 H78 F15 N8 O26 S5 Tc -","- C49 H78 F15 N8 O26 S5 Tc -","- C196 H312 F60 N32 O104 S20 Tc4 -","4","1","","Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Alberto, Roger; Braband, Henrik","Fluorescent sensing of 99Tc pertechnetate in water","Chemical Science","2014","5","5","1820","","10.1039/c3sc53504e","","","1.54184","CuKα","","0.124","0.1125","","","0.3608","0.38","","","","","","1.717","","","","has coordinates","189099","2020-10-21","18:00:00",""
"1514291","4.865","0.001","7.057","0.0014","15.151","0.003","88.73","0.03","84.04","0.03","82.71","0.03","513.15","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 F2 O2 -","- C11 H10 F2 O2 -","- C22 H20 F4 O4 -","2","1","","Lu, Wei; Gao, Juan; Yang, Jing-Kui; Liu, Lei; Zhao, Yuliang; Wu, Hai-Chen","Regioselective alkyl transfer from phosphonium ylides to functionalized polyfluoroarenes","Chemical Science","2014","5","5","1934","","10.1039/c4sc00221k","","","0.7107","MoKα","","0.159","0.0716","","","0.1644","0.2356","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514292","11.1925","0.0012","8.1206","0.0009","21.465","0.002","90","","101.402","0.003","90","","1912.4","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Cl N2 O4 -","- C20 H19 Cl N2 O4 -","- C80 H76 Cl4 N8 O16 -","4","2","","Xu, Biao; Shi, Li-Li; Zhang, Yu-Zu; Wu, Zhi-Jun; Fu, Li-Na; Luo, Chun-Qin; Zhang, Lan-Xi; Peng, Yun-Gui; Guo, Qi-Xiang","Catalytic asymmetric direct α-alkylation of amino esters by aldehydes via imine activation","Chemical Science","2014","5","5","1988","","10.1039/c3sc53314j","","","0.71073","MoKα","","0.044","0.0381","","","0.1157","0.1229","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514293","11.5495","0.0011","21.268","0.002","28.17","0.003","90","","90","","90","","6919.5","1.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H62 Al Co N2 O8 -","- C66 H62 Al Co N2 O8 -","- C264 H248 Al4 Co4 N8 O32 -","4","1","","Mulzer, Michael; Ellis, W. Chadwick; Lobkovsky, Emil B.; Coates, Geoffrey W.","Enantioenriched β-lactone and aldol-type products from regiodivergent carbonylation of racemic cis-epoxides","Chemical Science","2014","5","5","1928","","10.1039/c4sc00075g","","","0.71073","MoKα","","0.0864","0.0576","","","0.137","0.1481","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514294","5.7359","0.0002","17.005","0.0004","9.7453","0.0007","90","","102.621","0.007","90","","927.58","0.08","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H22 F3 N O2 S -","- C19 H22 F3 N O2 S -","- C38 H44 F6 N2 O4 S2 -","2","1","","Buesking, Andrew W.; Ellman, Jonathan A.","Convergent, asymmetric synthesis of vicinal amino alcohols via Rh-catalyzed addition of α-amido trifluoroborates to carbonyls","Chemical Science","2014","5","5","1983","","10.1039/c4sc00084f","","","1.54178","CuKα","","0.0399","0.0377","","","0.0917","0.0926","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514295","14.0939","0.0012","19.1285","0.0016","26.663","0.002","90","","90","","90","","7188.2","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H30 F3 N3 O3 Pt S -","- C37 H30 F3 N3 O3 Pt S -","- C296 H240 F24 N24 O24 Pt8 S8 -","8","1","","Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo","Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters","Chemical Science","2014","5","5","1875","","10.1039/c3sc53187b","","","0.71073","MoKα","","0.0347","0.0269","","","0.0588","0.0609","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514296","10.3618","0.0009","12.3271","0.0011","14.6981","0.0012","81.352","0.002","88.049","0.002","80.752","0.002","1831.8","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H20 Cl2 F9 N3 O3 Pt S -","- C35 H20 Cl2 F9 N3 O3 Pt S -","- C70 H40 Cl4 F18 N6 O6 Pt2 S2 -","2","1","","Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo","Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters","Chemical Science","2014","5","5","1875","","10.1039/c3sc53187b","","","0.71073","MoKα","","0.0376","0.0355","","","0.0885","0.0899","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514297","9.7989","0.0016","9.7523","0.0016","22.829","0.004","90","","90.326","0.002","90","","2181.5","0.6","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 Br N2 O3 -","- C25 H21 Br N2 O3 -","- C100 H84 Br4 N8 O12 -","4","2","","Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko","Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes","Chemical Science","2014","5","5","1799","","10.1039/c3sc53542h","","","0.71073","MoKα","","0.0894","0.0639","","","0.1289","0.1384","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514298","14.395","0.003","10.661","0.002","15.136","0.003","90","","95.588","0.003","90","","2311.8","0.8","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 F3 N O4 -","- C11 H8 F3 N O4 -","- C88 H64 F24 N8 O32 -","8","2","","Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko","Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes","Chemical Science","2014","5","5","1799","","10.1039/c3sc53542h","","","0.71073","MoKα","","0.095","0.0582","","","0.1376","0.1588","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514299","21.2628","0.0015","21.2628","0.0015","9.0321","0.0009","90","","90","","90","","4083.5","0.6","123","","123","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C25 H22 N2 O2 -","- C25 H21 N2 O2 -","- C200 H168 N16 O16 -","8","1","","Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko","Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes","Chemical Science","2014","5","5","1799","","10.1039/c3sc53542h","","","0.71073","MoKα","","0.0626","0.0441","","","0.0888","0.095","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514300","10.3326","0.0005","6.3617","0.0003","14.1521","0.0007","90","","96.731","0.002","90","","923.85","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C42 H40 Br2 N2 O8 -","2","1","","Stiller, Julian; Poulsen, Pernille H.; Cruz, David Cruz; Dourado, Jorge; Davis, Rebecca L.; Jørgensen, Karl Anker","Organocatalytic [4+2] addition reactions via tetraenamine intermediate","Chemical Science","2014","5","5","2052","","10.1039/c4sc00081a","","","0.56086","AgKα","","0.0384","0.0344","","","0.0754","0.0774","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514301","4.188","0.005","21.206","0.005","30.008","0.005","90","0.005","91.247","0.005","90","0.005","2664","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 N10 O2.88 -","- C30 H22 N10 O2.89 -","- C120 H88 N40 O11.56 -","4","1","","Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages","Chemical Science","2014","5","5","1833","","10.1039/c4sc00434e","","","1.5418","CuKα","","0.1065","0.0828","","","0.2076","0.2368","","","","","","0.991","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514302","11.4645","0.0005","16.4498","0.0005","16.6038","0.0006","105.696","0.002","102.138","0.002","95.838","0.002","2904.99","0.19","89","2","89","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Cl3 Fe N6 -","- C33 H23 Cl3 Fe N6 -","- C132 H92 Cl12 Fe4 N24 -","4","2","","Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages","Chemical Science","2014","5","5","1833","","10.1039/c4sc00434e","","","0.71073","MoKα","","0.0692","0.042","","","0.0926","0.1077","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514303","40","0.02","7.73","0.003","19.823","0.01","90","","97.713","0.014","90","","6074","5","89","2","89","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H37 Cl2 N15 O6 Re2 -","- C62 H37 Cl2 N15 O6 Re2 -","- C248 H148 Cl8 N60 O24 Re8 -","4","0.5","","Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages","Chemical Science","2014","5","5","1833","","10.1039/c4sc00434e","","","0.71073","MoKα","","0.0992","0.0619","","","0.1535","0.1846","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514304","11.1876","0.0013","12.2069","0.0018","12.521","0.002","112.398","0.003","100.82","0.005","90.607","0.007","1546.5","0.4","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 Ag F6 N6 Sb -","- C28 H18 Ag F6 N6 Sb -","- C56 H36 Ag2 F12 N12 Sb2 -","2","1","","Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages","Chemical Science","2014","5","5","1833","","10.1039/c4sc00434e","","","0.71073","MoKα","","0.034","0.0292","","","0.087","0.09","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514305","14.809","0.003","21.668","0.004","24.158","0.005","105.56","0.03","94.22","0.03","90.62","0.03","7444","3","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C64 H52.5 B0 Cl F0 Fe2 N13 O2.75 Pd Pt0.5 -","- C64 H52.25 Cl Fe2 N13 O2.625 Pd Pt0.5 -","- C256 H209 Cl4 Fe8 N52 O10.5 Pd4 Pt2 -","4","2","","Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages","Chemical Science","2014","5","5","1833","","10.1039/c4sc00434e","","","0.7108","Synchrotron","","0.1333","0.0934","","","0.2786","0.305","","","","","","1","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514306","5.3717","0.0003","18.0674","0.0008","29.3071","0.001","90","","90","","90","","2844.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C120 H120 Br8 O32 -","8","2","","Johnston, Ryne C.; Cohen, Daniel T.; Eichman, Chad C.; Scheidt, Karl A.; Cheong, Paul Ha-Yeon","Catalytic Kinetic Resolution of a Dynamic Racemate: Highly Stereoselective β-Lactone Formation by N-Heterocyclic Carbene Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1974","1982","10.1039/C4SC00317A","","","1.54178","CuKα","","0.0868","0.056","","","0.136","0.1556","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514307","5.4193","0.0003","9.4004","0.0005","28.084","0.0014","90","","90","","90","","1430.7","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C60 H60 Br4 O16 -","4","1","","Johnston, Ryne C.; Cohen, Daniel T.; Eichman, Chad C.; Scheidt, Karl A.; Cheong, Paul Ha-Yeon","Catalytic Kinetic Resolution of a Dynamic Racemate: Highly Stereoselective β-Lactone Formation by N-Heterocyclic Carbene Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1974","1982","10.1039/C4SC00317A","","","0.71073","MoKα","","0.0509","0.0337","","","0.083","0.0962","","","","","","0.584","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514308","29.522","0.004","11.3531","0.0014","16.459","0.002","90","","102.536","0.001","90","","5385","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50.5 H87 Cl2 Co2 N2 P4 -","- C50.516 H87 Cl2 Co2 N2 P4 -","- C202.064 H348 Cl8 Co8 N8 P16 -","4","0.5","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","0.71073","MoKα","","0.0656","0.0554","","","0.1412","0.1492","","","","","","1.155","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514309","15.6128","0.0005","9.7824","0.0003","16.1191","0.0005","90","","106.659","0.002","90","","2358.55","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 Co I N P2 -","- C20 H38 Co I N P2 -","- C80 H152 Co4 I4 N4 P8 -","4","1","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","1.54178","CuKα","","0.0372","0.034","","","0.0986","0.1026","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514310","10.4893","0.0002","11.4272","0.0002","16.7767","0.0003","75.494","0.001","74.128","0.001","64.032","0.001","1718.98","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H49 Co N P2 -","- C37 H49 Co N P2 -","- C74 H98 Co2 N2 P4 -","2","1","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","1.54178","CuKα","","0.0288","0.0273","","","0.0696","0.0706","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514311","13.885","0.005","11.36","0.005","16.179","0.005","90","","94.627","0.005","90","","2543.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 Co N P3 -","- C22 H45 Co N P3 -","- C88 H180 Co4 N4 P12 -","4","1","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","0.71073","MoKα","","0.0311","0.0246","","","0.063","0.0699","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514312","10.0117","0.0013","10.3818","0.0013","15.817","0.002","95.298","0.002","96.632","0.003","116.746","0.002","1438.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H51 Co N P3 -","- C25 H51 Co N P3 -","- C50 H102 Co2 N2 P6 -","2","1","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","0.71073","MoKα","","0.0331","0.0272","","","0.0677","0.0712","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514313","19.236","0.005","9.591","0.005","11.786","0.005","90","","100.635","0.005","90","","2137.1","1.5","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H38 Co N P2 -","- C19 H38 Co N P2 -","- C76 H152 Co4 N4 P8 -","4","0.5","","Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J.","Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex","Chemical Science","2014","5","5","1956","","10.1039/c4sc00255e","","","0.71073","MoKα","","0.0339","0.0272","","","0.0794","0.0834","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514314","9.8268","0.0008","14.9773","0.0012","13.5372","0.0011","90","","111.255","0.001","90","","1856.9","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","","","- C24 H17 O2 Sb -","- C24 H17 O2 Sb -","- C96 H68 O8 Sb4 -","4","1","","Hirai, Masato; Gabbaï, François P.","Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations","Chemical Science","2014","5","5","1886","","10.1039/c4sc00343h","","","0.71073","MoKα","","0.0223","0.02","","","0.0482","0.049","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514315","10.0011","0.0008","21.4018","0.0018","16.9437","0.0011","90","","122.404","0.003","90","","3062","0.4","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","none","","","- C30 H31 Cl4 F N3 O2 S Sb -","- C30 H31 Cl4 F N3 O2 S Sb -","- C120 H124 Cl16 F4 N12 O8 S4 Sb4 -","4","1","","Hirai, Masato; Gabbaï, François P.","Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations","Chemical Science","2014","5","5","1886","","10.1039/c4sc00343h","","","0.71073","MoKα","","0.08","0.0693","","","0.189","0.1988","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514316","14.7131","0.0016","16.7493","0.0018","27.433","0.003","90","","90","","90","","6760.4","1.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","none","","","- C38 H37 F N3 O4 S Sb -","- C38 H37 F N3 O4 S Sb -","- C304 H296 F8 N24 O32 S8 Sb8 -","8","2","","Hirai, Masato; Gabbaï, François P.","Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations","Chemical Science","2014","5","5","1886","","10.1039/c4sc00343h","","","0.71073","MoKα","","0.049","0.0391","","","0.0908","0.0957","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514317","14.942","0.003","17.41","0.003","20.949","0.004","68.999","0.004","69.324","0.004","75.701","0.004","4714.5","1.5","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","ubsc16","","","- C32 H42 N2 O6 S2 -","- C32 H42 N2 O6 S2 -","- C192 H252 N12 O36 S12 -","6","3","","Turnpenny, Benjamin W.; Chemler, Sherry R.","Copper-Catalyzed Alkene Diamination: Synthesis of Chiral 2-Aminomethyl Indolines and Pyrrolidines.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1786","1793","10.1039/C4SC00237G","","","0.71073","MoKα","","0.11","0.0591","","","0.1311","0.1548","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514318","17.9132","0.0006","11.6738","0.0004","21.3034","0.0008","90","","90","","90","","4454.9","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Mo N2 O4 -","- C22 H24 Mo N2 O4 -","- C176 H192 Mo8 N16 O32 -","8","1","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","x-ray","0.71073","MoKα","K-L~3~","0.0315","0.024","","","0.0601","0.0647","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514319","29.9821","0.0016","15.8708","0.0009","11.837","0.0006","90","","90","","90","","5632.5","0.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C49 H80 K2 N2 O16 W -","- C49 H80 K2 N2 O16 W0.9882 -","- C196 H320 K8 N8 O64 W3.9528 -","4","0.5","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","","1.54178","CuKα","","0.0968","0.077","","","0.1851","0.198","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514320","17.8251","0.0009","11.6986","0.0006","21.3193","0.0011","90","","90","","90","","4445.7","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O4 W -","- C22 H24 N2 O4 W -","- C176 H192 N16 O32 W8 -","8","1","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","x-ray","0.71073","MoKα","K-L~3~","0.02","0.0159","","","0.0364","0.0387","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514321","12.213","0.0003","18.7469","0.0005","15.488","0.0004","90","","107.674","0.001","90","","3378.69","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 K N2 O11 W -","- C30 H40 K N2 O11 W -","- C120 H160 K4 N8 O44 W4 -","4","1","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","","0.71073","","","0.0317","0.0226","","","","0.0898","","","","","","0.7312","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514322","16.1473","0.0008","4.7928","0.0002","9.2488","0.0005","90","","90.212","0.005","90","","715.77","0.06","10","2","10","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Co adipate","","","- C6 H8 Co O4 -","- C6 H8 Co O4 -","- C24 H32 Co4 O16 -","4","1","","Saines, Paul J.; Barton, Phillip T.; Jura, Marek; Knight, Kevin S.; Cheetham, Anthony K.","Cobalt adipate, Co(C6H8O4): antiferromagnetic structure, unusual thermal expansion and magnetoelastic coupling","Materials Horizons","2014","1","3","332","","10.1039/c4mh00009a","","","0.71073","MoKα","","0.0847","0.0725","","","0.1898","0.1986","","","","","","1.178","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514323","14.356","0.004","6.3845","0.0019","7.889","0.002","90","","90","","90","","723.1","0.3","100","0.1","100","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C5 H9 N5 -","- C5 H9 N5 -","- C20 H36 N20 -","4","0.5","","McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.","Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure","Energy & Fuels","2014","28","5","3460","","10.1021/ef500264z","","","0.71073","MoKα","","0.0644","0.0584","","","0.1629","0.1707","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514324","7.268","0.0005","7.3848","0.0005","9.2509","0.0006","88.28","0.004","74.55","0.004","64.429","0.004","429.64","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H9 N5 O2 -","- C6 H9 N5 O2 -","- C12 H18 N10 O4 -","2","1","","McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.","Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure","Energy & Fuels","2014","28","5","3460","","10.1021/ef500264z","","","0.71073","MoKα","","0.0714","0.0464","","","0.1153","0.132","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514325","5.668","0.01","20.59","0.04","6.402","0.011","90","","114.27","0.03","90","","681","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 N7 -","- C3 H7 N7 -","- C12 H28 N28 -","4","1","","McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.","Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure","Energy & Fuels","2014","28","5","3460","","10.1021/ef500264z","","","0.71073","MoKα","","0.1066","0.0612","","","0.1525","0.177","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514326","7.243","0.0007","8.2646","0.0008","9.8487","0.0009","68.198","0.005","70.224","0.005","66.763","0.005","490.1","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N5 O2 -","- C8 H9 N5 O2 -","- C16 H18 N10 O4 -","2","1","","McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.","Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure","Energy & Fuels","2014","28","5","3460","","10.1021/ef500264z","","","0.71073","MoKα","","0.0631","0.0396","","","0.0909","0.1009","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514327","29.767","0.012","7.814","0.004","19.687","0.008","90","","111.016","0.016","90","","4275","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H7 I N4 -","- C3 H7 I N4 -","- C72 H168 I24 N96 -","24","3","","McCrary, Parker D.; Chatel, Gregory; Alaniz, Spencer A.; Cojocaru, O. Andreea; Beasley, Preston A.; Flores, Luis A.; Kelley, Steven P.; Barber, Patrick S.; Rogers, Robin D.","Evaluating Ionic Liquids as Hypergolic Fuels: Exploring Reactivity from Molecular Structure","Energy & Fuels","2014","28","5","3460","","10.1021/ef500264z","","","0.71073","MoKα","","0.0267","0.0238","","","0.0552","0.0562","","","","","","1.15","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514328","8.1859","0.0003","27.8367","0.0007","12.9701","0.0009","90","","92.636","0.007","90","","2952.3","0.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 B Br F2 I N2 S2 -","- C29.997 H24.991 B Br F2 I N2 S2 -","- C119.988 H99.964 B4 Br4 F8 I4 N8 S8 -","4","1","","Heyer, Elodie; Retailleau, Pascal; Ziessel, Raymond","α-Fused Dithienyl BODIPYs Synthesized by Oxidative Ring Closure.","Organic letters","2014","16","9","2330","2333","10.1021/ol500572t","","","1.54187","CuKα","","0.0728","0.0491","","","0.1282","0.1607","","","","","","1.153","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514329","8.117","0.003","20.123","0.008","20.541","0.008","90","","90","","90","","3355","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Cl2 O Pd S2 -","- C15 H16 Cl2 O Pd S2 -","- C120 H128 Cl16 O8 Pd8 S16 -","8","1","","Joshi, Hemant; Sharma, Kamal Nayan; Sharma, Alpesh K; Singh, Ajai Kumar","Palladium-phosphorus/sulfur nanoparticles (NPs) decorated on graphene oxide: synthesis using the same precursor for NPs and catalytic applications in Suzuki-Miyaura coupling.","Nanoscale","2014","6","9","4588","4597","10.1039/c3nr06586c","","","0.71073","MoKα","","0.0547","0.0426","","","0.1124","0.1191","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514330","14.11","0.005","11.504","0.005","17.793","0.005","90","0.005","111.155","0.005","90","0.005","2693.5","1.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 N2 O2 -","- C33 H30 N2 O2 -","- C132 H120 N8 O8 -","4","1","","Wang, Lianke; Shen, Yanfang; Zhu, Qiuju; Xu, Weinan; Yang, Mingdi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Systematic Study and Imaging Application of Aggregation-Induced Emission of Ester-Isophorone Derivatives","The Journal of Physical Chemistry C","2014","118","16","8531","","10.1021/jp412279m","","","0.71069","MoKα","","0.0774","0.0529","","","0.1393","0.1583","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514331","30.567","0.005","7.925","0.005","17.725","0.005","90","0.005","98.37","0.005","90","0.005","4248","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 N4 O2 -","- C23 H24 N4 O2 -","- C184 H192 N32 O16 -","8","1","","Wang, Lianke; Shen, Yanfang; Zhu, Qiuju; Xu, Weinan; Yang, Mingdi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Systematic Study and Imaging Application of Aggregation-Induced Emission of Ester-Isophorone Derivatives","The Journal of Physical Chemistry C","2014","118","16","8531","","10.1021/jp412279m","","","0.71069","MoKα","","0.0907","0.0535","","","0.1518","0.1877","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514332","7.516","0.005","8.738","0.005","16.992","0.005","98.617","0.005","97.284","0.005","97.346","0.005","1082.1","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N3 O2 -","- C24 H25 N3 O2 -","- C48 H50 N6 O4 -","2","1","","Wang, Lianke; Shen, Yanfang; Zhu, Qiuju; Xu, Weinan; Yang, Mingdi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Systematic Study and Imaging Application of Aggregation-Induced Emission of Ester-Isophorone Derivatives","The Journal of Physical Chemistry C","2014","118","16","8531","","10.1021/jp412279m","","","0.71069","MoKα","","0.0894","0.0632","","","0.1766","0.2021","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514333","48.93","0.02","5.783","0.002","7.453","0.003","90","","90","","90","","2108.9","1.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H25 N3 O2 -","- C24 H25 N3 O2 -","- C96 H100 N12 O8 -","4","1","","Wang, Lianke; Shen, Yanfang; Zhu, Qiuju; Xu, Weinan; Yang, Mingdi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Systematic Study and Imaging Application of Aggregation-Induced Emission of Ester-Isophorone Derivatives","The Journal of Physical Chemistry C","2014","118","16","8531","","10.1021/jp412279m","","","0.71073","MoKα","","0.0798","0.0536","","","0.1486","0.1807","","","","","","0.852","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514334","13.5145","0.0004","22.4036","0.0007","22.9937","0.0008","90","","90","","90","","6961.9","0.4","200","1","200","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H34 I N O3 Si -","- C18 H34 I N O3 Si -","- C216 H408 I12 N12 O36 Si12 -","12","3","","Echeverria, Pierre-Georges; Prévost, Sébastien; Cornil, Johan; Férard, Charlène; Reymond, Sébastien; Guérinot, Amandine; Cossy, Janine; Ratovelomanana-Vidal, Virginie; Phansavath, Phannarath","Synthetic Strategy toward the C44-C65 Fragment of Mirabalin.","Organic letters","2014","16","9","2390","2393","10.1021/ol500720j","","","1.54178","CuKα","","0.1523","0.1146","","","0.2809","0.3152","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514335","19.276","0.004","6.8223","0.0014","13.03","0.003","90","","104.354","0.002","90","","1660","0.6","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","0.5","","Fang, Tao; Tan, Qitao; Ding, Zhengwei; Liu, Bingxin; Xu, Bin","Pd-Catalyzed Oxidative Annulation of Hydrazides with Isocyanides: Synthesis of 2-Amino-1,3,4-oxadiazoles.","Organic letters","2014","16","9","2342","2345","10.1021/ol5006449","","","0.71073","MoKα","","0.0699","0.0506","","","0.1421","0.1571","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514336","10.604","0.002","23.472","0.005","27.553","0.006","77.89","0.03","83.86","0.03","80.29","0.03","6591","3","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C61.25 H74.5 N6 O16 -","- C61 H75 N6 O16 -","- C244 H300 N24 O64 -","4","2","","Sebaoun, Laure; Kauffmann, Brice; Delclos, Thomas; Maurizot, Victor; Huc, Ivan","Assessing Stabilization through π-π Interactions in Aromatic Oligoamide β-Sheet Foldamers.","Organic letters","2014","16","9","2326","2329","10.1021/ol500512f","","","1.54178","CuKα","","0.3048","0.22","","","0.4951","0.5396","","","","","","1.498","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514337","14.837","0.003","18.674","0.004","25.801","0.005","76.16","0.03","89.61","0.03","72.57","0.03","6606","3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H141 Cl3 N14 O28 -","- C121 H141 Cl3 N14 O28 -","- C242 H282 Cl6 N28 O56 -","2","1","","Sebaoun, Laure; Kauffmann, Brice; Delclos, Thomas; Maurizot, Victor; Huc, Ivan","Assessing Stabilization through π-π Interactions in Aromatic Oligoamide β-Sheet Foldamers.","Organic letters","2014","16","9","2326","2329","10.1021/ol500512f","","","1.54178","CuKα","","0.336","0.1772","","","0.4005","0.4761","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514338","10.1293","0.0009","10.9916","0.001","16.069","0.0015","90","","90","","90","","1789.1","0.3","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H31 N O3 -","- C16 H31 N O3 -","- C64 H124 N4 O12 -","4","1","","Beveridge, Ramsay E.; Batey, Robert A.","An Organotrifluoroborate-Based Convergent Total Synthesis of the Potent Cancer Cell Growth Inhibitory Depsipeptides Kitastatin and Respirantin.","Organic letters","2014","16","9","2322","2325","10.1021/ol500484f","","","0.71073","MoKα","","0.0421","0.0341","","","0.0784","0.0825","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514339","23.38","0.003","6.969","0.0007","19.937","0.003","90","","110.851","0.015","90","","3035.7","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C2.11 H2.39 N0.42 O0.7 -","- C2.10526 H2.38596 N0.421053 O0.701754 -","- C120 H136 N24 O40 -","57","14.25","","Subhasri, Annamalai; Anbuselvan, Chinnadurai","Facile, cost effective synthesis and DFT-based studies of substituted aryl hydrazones of β-diketones: a new selective fluorescent chemosensor for Co2+","Analytical Methods","2014","6","15","5596","","10.1039/C4AY00653D","","","0.71073","MoKα","","0.0538","0.0387","","","0.0803","0.0906","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514340","10.5425","0.0007","11.9183","0.0008","11.4221","0.0008","90","","108.364","0.004","90","","1362.08","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 O4 Si2 -","- C8 H18 O4 Si2 -","- C32 H72 O16 Si8 -","4","1","","Feghali, Elias; Jacquet, Olivier; Thuéry, Pierre; Cantat, Thibault","Catalytic hydrosilylation of oxalic acid: chemoselective formation of functionalized C2-products","Catalysis Science & Technology","2014","4","8","2230","","10.1039/c4cy00339j","","","0.71073","MoKα","","0.0552","0.04","","","0.0999","0.106","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514341","6.53547","0.00018","9.4651","0.0004","26.193","0.001","83.956","0.003","84.79","0.003","89.716","0.003","1604.59","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H50 N2 O8 S2 -","- C27 H50 N2 O8 S2 -","- C54 H100 N4 O16 S4 -","2","1","","Köstereli, Ziya; Scopelliti, Rosario; Severin, Kay","Pattern-based sensing of aminoglycosides with fluorescent amphiphiles","Chemical Science","2014","5","6","2456","","10.1039/c4sc00737a","","","1.54178","CuKα","","0.0375","0.0335","","","0.0935","0.098","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514342","10.4173","0.0002","12.2196","0.0002","29.6743","0.0006","90","","90","","90","","3777.4","0.12","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 O4.5 -","- C20 H33 O4.5 -","- C160 H264 O36 -","8","2","","Liu, Cui-Ping; Xu, Jin-Biao; Zhao, Jin-Xin; Xu, Cheng-Hui; Dong, Lei; Ding, Jian; Yue, Jian-Min","Diterpenoids from Croton laui and Their Cytotoxic and Antimicrobial Activities.","Journal of natural products","2014","77","4","1013","1020","10.1021/np500042c","","","1.54178","CuKα","","0.0421","0.0395","","","0.1065","0.1087","","","","","","1.04","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514343","10.2369","0.0001","10.9853","0.0002","19.9009","0.0003","90","","102.032","0.001","90","","2188.8","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 O2 -","- C28 H28 O2 -","- C112 H112 O8 -","4","1","","Wu, Yen-Ku; West, F. G.","Formal Homologous Aldol Reactions: Interrupting the Nazarov Cyclization via Carboalkoxylation of Alkynes.","Organic letters","2014","16","9","2534","2537","10.1021/ol500914a","","","1.54178","CuKα","","0.0375","0.0362","","","0.094","0.0952","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514344","6.05","0.003","33.448","0.015","8.747","0.004","90","","95.376","0.014","90","","1762.3","1.4","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O4 -","- C19 H19 Br O4 -","- C76 H76 Br4 O16 -","4","2","","Smith, Siobhan R.; Leckie, Stuart M.; Holmes, Reuben; Douglas, James; Fallan, Charlene; Shapland, Peter; Pryde, David; Slawin, Alexandra M. Z.; Smith, Andrew D.","α-Ketophosphonates as Ester Surrogates: Isothiourea-Catalyzed Asymmetric Diester and Lactone Synthesis.","Organic letters","2014","16","9","2506","2509","10.1021/ol500873s","","","0.71075","MoKα","","","0.1074","","","","0.2924","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514345","9.6196","0.0005","14.4057","0.0012","17.108","0.009","90","","90","","90","","2370.8","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br N2 O7 -","- C24 H23 Br N2 O7 -","- C96 H92 Br4 N8 O28 -","4","1","","Zhao, Yong-Long; Wang, Yao; Cao, Jian; Liang, Yong-Min; Xu, Peng-Fei","Organocatalytic Asymmetric Michael-Michael Cascade for the Construction of Highly Functionalized N-Fused Piperidinoindoline Derivatives.","Organic letters","2014","16","9","2438","2441","10.1021/ol5008185","","","0.71","MoKα","","0.0919","0.053","","","0.0798","0.0985","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514346","7.8952","0.0005","12.0717","0.0008","16.5793","0.0007","90","","97.133","0.005","90","","1567.92","0.16","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br Cl2 N O -","- C16 H14 Br Cl2 N O -","- C64 H56 Br4 Cl8 N4 O4 -","4","1","","Yao, Chuan-Zhi; Xiao, Zu-Feng; Liu, Jie; Ning, Xiao-Shan; Kang, Yan-Biao","Ru-Catalyzed Rearrangement of N-Methyl Isoxazolidines to N-H 1,3-Oxazinanes: A Strategy of Self-Hydride Transferring Cleavage of N-O Bonds.","Organic letters","2014","16","9","2498","2501","10.1021/ol500869p","","","1.54178","CuKα","","0.1075","0.0873","","","0.2472","0.28","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514347","8.7575","0.0007","22.141","0.0017","10.8356","0.0009","90","","91.285","0.002","90","","2100.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl N2 O3 S -","- C23 H19 Cl N2 O3 S -","- C92 H76 Cl4 N8 O12 S4 -","4","2","","Yin, Qin; You, Shu-Li","Asymmetric Chlorocyclization of Indole-3-yl-benzamides for the Construction of Fused Indolines.","Organic letters","2014","16","9","2426","2429","10.1021/ol5007532","","","0.71073","MoKα","","0.0479","0.0385","","","0.091","0.0964","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514348","12.1923","0.0005","18.8559","0.0008","24.0835","0.001","90","","90","","90","","5536.7","0.4","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H78 N2 O17 -","- C56 H78 N2 O17 -","- C224 H312 N8 O68 -","4","1","","Yu, Guocan; Hua, Bin; Han, Chengyou","Proton Transfer in Host-Guest Complexation between a Difunctional Pillar[5]arene and Alkyldiamines.","Organic letters","2014","16","9","2486","2489","10.1021/ol500857w","","","0.71073","MoKα","","0.0523","0.0397","","","0.0912","0.0981","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514349","20.3564","0.0017","12.7264","0.0008","20.9919","0.0013","90","","108.03","0.008","90","","5171.2","0.7","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N2 O16 -","- C54 H72 N2 O16 -","- C216 H288 N8 O64 -","4","1","","Yu, Guocan; Hua, Bin; Han, Chengyou","Proton Transfer in Host-Guest Complexation between a Difunctional Pillar[5]arene and Alkyldiamines.","Organic letters","2014","16","9","2486","2489","10.1021/ol500857w","","","0.71073","MoKα","","0.2141","0.1334","","","0.3574","0.4278","","","","","","1.288","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514350","19.716","0.005","23.201","0.006","4.2513","0.001","90","","90","","90","","1944.7","0.8","163","2","163","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C21 H18 Br2 F N3 O -","- C21 H18 Br2 F N3 O -","- C84 H72 Br8 F4 N12 O4 -","4","1","","Naidoo, Jacinth; De Jesus-Cortes, Hector; Huntington, Paula; Estill, Sandi; Morlock, Lorraine K.; Starwalt, Ruth; Mangano, Thomas J.; Williams, Noelle S.; Pieper, Andrew A.; Ready, Joseph M.","Discovery of a Neuroprotective Chemical, (S)-N-(3-(3,6-Dibromo-9H-carbazol-9-yl)-2-fluoropropyl)-6-methoxypyridin-2-amine [(-)-P7C3-S243], with Improved Druglike Properties.","Journal of medicinal chemistry","2014","57","9","3746","3754","10.1021/jm401919s","","","0.71075","MoKα","","0.0542","0.0435","","","0.0931","0.098","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514351","23.924","0.001","18.448","0.002","12.936","0.005","90","","111.94","0.01","90","","5296","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(2,4-Di-tert-butyl-6-phenylsulfonyl-phenolate)zirconium bis(tert-butoxide)","","- C53 H68 O4 S2 Zr -","- C53 H68 O4 S2 Zr -","- C212 H272 O16 S8 Zr4 -","4","0.5","","Della Monica, Francesco; Luciano, Ermanno; Roviello, Giuseppina; Grassi, Alfonso; Milione, Stefano; Capacchione, Carmine","Group 4 Metal Complexes Bearing Thioetherphenolate Ligands. Coordination Chemistry and Ring-Opening Polymerization Catalysis","Macromolecules","2014","47","9","2830","","10.1021/ma5003358","","","0.71073","MoKα","","0.0999","0.0482","","","0.0882","0.1024","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514352","9.0114","0.0006","11.6358","0.001","10.5021","0.0009","90","","124.828","0.002","90","","903.94","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N4 O -","- C9 H8 N4 O -","- C36 H32 N16 O4 -","4","1","","Yin, Hang; Wang, Teng; Jiao, Ning","Copper-Catalyzed Oxoazidation and Alkoxyazidation of Indoles.","Organic letters","2014","16","9","2302","2305","10.1021/ol500793c","","","0.71073","MoKα","","0.039","0.0344","","","0.0837","0.0874","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514353","9.3781","0.0002","12.6568","0.0003","27.0482","0.0006","90","","90","","90","","3210.53","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H54 O4 -","- C34 H54 O4 -","- C136 H216 O16 -","4","1","","Yang, Xing-Wei; Ding, Yuanqing; Zhang, Jing-Jing; Liu, Xia; Yang, Li-Xin; Li, Xiao-Nian; Ferreira, Daneel; Walker, Larry A.; Xu, Gang","New Acylphloroglucinol Derivatives with Diverse Architectures from Hypericum henryi.","Organic letters","2014","16","9","2434","2437","10.1021/ol500808p","","","1.54178","CuKα","","0.0798","0.0794","","","0.2097","0.2106","","","","","","1.186","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514354","9.3216","0.0004","13.2025","0.0006","13.8291","0.0006","90","","107.968","0.001","90","","1618.92","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H54 O5 -","- C36 H54 O5 -","- C72 H108 O10 -","2","1","","Yang, Xing-Wei; Ding, Yuanqing; Zhang, Jing-Jing; Liu, Xia; Yang, Li-Xin; Li, Xiao-Nian; Ferreira, Daneel; Walker, Larry A.; Xu, Gang","New Acylphloroglucinol Derivatives with Diverse Architectures from Hypericum henryi.","Organic letters","2014","16","9","2434","2437","10.1021/ol500808p","","","1.54178","CuKα","","0.0679","0.0678","","","0.1822","0.1827","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514355","24.5965","0.0002","18.9698","0.0002","30.9836","0.0003","90","","93.447","0.001","90","","14430.5","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 N24 O12 -","- C44 H44 N24 O12 -","- C352 H352 N192 O96 -","8","2","","Gilberg, Laura; Khan, Muhammad S. A.; Enderesova, Marketa; Sindelar, Vladimir","Cucurbiturils Substituted on the Methylene Bridge.","Organic letters","2014","16","9","2446","2449","10.1021/ol500828k","","","1.54187","CuKα","","0.0936","0.0795","","","0.2495","0.2724","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514356","22.1827","0.0005","14.2629","0.0003","12.1482","0.0003","90","","106.072","0.0012","90","","3693.34","0.15","291","2","291","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 O4 -","- C42 H44 O4 -","- C168 H176 O16 -","4","0.5","","Su, Yijin; Zhang, Yanwei; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","Ambient Intermolecular [2 + 2] Cycloaddition: An Example of Carbophilicity and Oxophilicity Competition in Au/Ag Catalysis.","Organic letters","2014","16","9","2478","2481","10.1021/ol500854m","","","0.71073","MoKα","","0.0719","0.0532","","","0.1438","0.1587","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514357","9.3001","0.0006","17.6333","0.0013","16.8483","0.0013","90","","96.205","0.001","90","","2746.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 O4 -","- C34 H28 O4 -","- C136 H112 O16 -","4","1","","Su, Yijin; Zhang, Yanwei; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","Ambient Intermolecular [2 + 2] Cycloaddition: An Example of Carbophilicity and Oxophilicity Competition in Au/Ag Catalysis.","Organic letters","2014","16","9","2478","2481","10.1021/ol500854m","","","0.71073","MoKα","","0.1111","0.0503","","","0.1188","0.1469","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514358","10.9837","0.0005","18.0724","0.0007","19.9386","0.0008","68.9726","0.0012","81.9783","0.0013","89.7507","0.0013","3653.7","0.3","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H44 O4 -","- C42 H44 O4 -","- C168 H176 O16 -","4","2","","Su, Yijin; Zhang, Yanwei; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","Ambient Intermolecular [2 + 2] Cycloaddition: An Example of Carbophilicity and Oxophilicity Competition in Au/Ag Catalysis.","Organic letters","2014","16","9","2478","2481","10.1021/ol500854m","","","0.71073","MoKα","","0.1049","0.0604","","","0.1338","0.1548","","","","","","1.007","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514359","16.6402","0.0003","27.6773","0.0007","39.7657","0.0006","90","","90.466","0.002","90","","18313.7","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C217 H85 Cl23 Dy2 N24 O -","- C216 H84 Cl20 Dy2 N24 O -","- C864 H336 Cl80 Dy8 N96 O4 -","4","1","","Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang","Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM","Chemical Science","2014","5","8","3214","","10.1039/c4sc00694a","","","1.5418","CuKα","","0.1192","0.0977","","","0.2745","0.2955","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514360","22.5698","0.0004","15.6246","0.0002","24.1908","0.0004","90","","96.681","0.002","90","","8472.8","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C136 H40 Cl4 Dy N12 O0 -","- C136 H40 Cl4 Dy N12 -","- C544 H160 Cl16 Dy4 N48 -","4","0.5","","Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang","Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM","Chemical Science","2014","5","8","3214","","10.1039/c4sc00694a","","","1.5418","CuKα","","0.0558","0.0524","","","0.1268","0.1312","","","","","","0.604","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514361","19.3998","0.0002","28.3596","0.0003","24.7203","0.0002","90","","90","","90","","13600.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C220 H60 Cl8 Dy N12 O0 -","- C220 H60 Cl8 Dy N12 -","- C880 H240 Cl32 Dy4 N48 -","4","1","","Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang","Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM","Chemical Science","2014","5","8","3214","","10.1039/c4sc00694a","","","1.54184","CuKα","","0.1245","0.1191","","","0.2587","0.261","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514362","12.9786","0.0019","6.6198","0.0009","36.186","0.005","90","","94.888","0.003","90","","3097.6","0.8","138","2","138","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(5-Methyl-2-(4-(p-vinylbenzoyloxymethyl)phenyl)- 4-thiazolyl)-2-(5-methyl-2-phenyl-4-thiazolyl)- perfluorocyclopentene","","- C35 H24 F6 N2 O2 S2 -","- C35 H24 F6 N2 O2 S2 -","- C140 H96 F24 N8 O8 S8 -","4","1","","Kitagawa, Daichi; Kobatake, Seiya","Crystal thickness dependence of the photoinduced crystal bending of 1-(5-methyl-2-(4-(p-vinylbenzoyloxymethyl)phenyl)-4-thiazolyl)-2-(5-methyl-2-phenyl-4-thiazolyl)perfluorocyclopentene.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","5","764","769","10.1039/c3pp50417d","","","0.71075","MoKα","","0.0793","0.0559","","","0.1566","0.1695","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514363","9.6584","0.0004","19.8105","0.0008","11.0401","0.0006","90","","109.791","0.002","90","","1987.62","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H55 N6 O8 -","- C37 H55 N6 O8 -","- C74 H110 N12 O16 -","2","1","","Du, Feng-Yu; Zhang, Peng; Li, Xiao-Ming; Li, Chun-Shun; Cui, Chuan-Ming; Wang, Bin-Gui","Cyclohexadepsipeptides of the Isaridin Class from the Marine-Derived Fungus Beauveria felina EN-135.","Journal of natural products","2014","77","5","1164","","10.1021/np4011037","","","1.54178","CuKα","","0.0543","0.0479","","","0.1263","0.1321","","","","","","0.995","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514364","10.2134","0.0009","15.7979","0.0016","24.297","0.003","90","","90","","90","","3920.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H57 N5 O9 -","- C36 H57 N5 O9 -","- C144 H228 N20 O36 -","4","1","","Du, Feng-Yu; Zhang, Peng; Li, Xiao-Ming; Li, Chun-Shun; Cui, Chuan-Ming; Wang, Bin-Gui","Cyclohexadepsipeptides of the Isaridin Class from the Marine-Derived Fungus Beauveria felina EN-135.","Journal of natural products","2014","77","5","1164","","10.1021/np4011037","","","1.54178","CuKα","","0.2507","0.1008","","","0.1984","0.326","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514365","9.3052","0.0006","17.0969","0.0011","23.5305","0.0015","90","","90","","90","","3743.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H55 N5 O8 -","- C35 H55 N5 O8 -","- C140 H220 N20 O32 -","4","1","","Du, Feng-Yu; Zhang, Peng; Li, Xiao-Ming; Li, Chun-Shun; Cui, Chuan-Ming; Wang, Bin-Gui","Cyclohexadepsipeptides of the Isaridin Class from the Marine-Derived Fungus Beauveria felina EN-135.","Journal of natural products","2014","77","5","1164","","10.1021/np4011037","","","1.54178","CuKα","","0.1172","0.069","","","0.1566","0.195","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514366","9.076","0.0007","10.7759","0.0008","11.1491","0.0008","80.423","0.004","84.426","0.004","74.609","0.004","1035.04","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H34 O4 Si -","- C21 H34 O4 Si -","- C42 H68 O8 Si2 -","2","1","","Sharma, Indrajeet; Wurst, Jacqueline M.; Tan, Derek S.","Solvent-Dependent Divergent Functions of Sc(OTf)3 in Stereoselective Epoxide-Opening Spiroketalizations.","Organic letters","2014","16","9","2474","2477","10.1021/ol500853q","","","0.71073","MoKα","","0.0595","0.0418","","","0.0972","0.1066","","","","","","1.099","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514374","10.919","0.0007","23.8725","0.0014","4.8372","0.0003","90","","90","","90","","1260.88","0.13","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H12 N2 O4 Pd -","- C13 H12 N2 O4 Pd -","- C52 H48 N8 O16 Pd4 -","4","1","","Dornan, Laura M.; Clendenning, Gráinne M. A.; Pitak, Mateusz B.; Coles, Simon J.; Muldoon, Mark J.","N,O-ligated Pd(ii) complexes for catalytic alcohol oxidation","Catalysis Science & Technology","2014","4","8","2526","","10.1039/c4cy00296b","","","0.71073","MoKα","","0.062","0.0486","","","0.0985","0.1057","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514375","19.681","0.003","7.1866","0.0008","20.443","0.003","90","","107.332","0.002","90","","2760.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O5 Pd S -","- C12 H12 N2 O5 Pd S -","- C96 H96 N16 O40 Pd8 S8 -","8","2","","Dornan, Laura M.; Clendenning, Gráinne M. A.; Pitak, Mateusz B.; Coles, Simon J.; Muldoon, Mark J.","N,O-ligated Pd(ii) complexes for catalytic alcohol oxidation","Catalysis Science & Technology","2014","4","8","2526","","10.1039/c4cy00296b","","","0.71075","MoKα","","0.0449","0.0409","","","0.1027","0.106","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514376","15.3435","0.0004","17.6683","0.0005","21.002","0.0005","65.712","0.003","71.109","0.003","68.54","0.003","4728","0.3","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 F18 N O2 W -","- C25 H27 F18 N O2 W -","- C150 H162 F108 N6 O12 W6 -","6","3","","Mougel, V.; Copéret, C.","Magnitude and consequences of OR ligand σ-donation on alkene metathesis activity in d0 silica supported (SiO)W(NAr)(CHtBu)(OR) catalysts","Chemical Science","2014","5","6","2475","","10.1039/c4sc00230j","","","0.7107","MoKα","","0.0972","0.0521","","","0.1216","0.1715","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514377","43.4252","0.0018","8.333","0.0004","36.214","0.002","90","","113.942","0.0018","90","","11977","1","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C110 H134 Cl13 N8 O6 P -","- C109.992 H133.984 Cl12.992 N8 O6 P -","- C439.968 H535.936 Cl51.968 N32 O24 P4 -","4","0.5","","Furuyama, Taniyuki; Yoshida, Takuya; Hashizume, Daisuke; Kobayashi, Nagao","Phosphorus(v) tetraazaporphyrins: porphyrinoids showing an exceptionally strong CT band between the Soret and Q bands","Chemical Science","2014","5","6","2466","","10.1039/c4sc00569d","","","0.71073","MoKα","","0.1167","0.0689","","","0.1951","0.2169","","","","","","0.943","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514502","8.947","","14.538","","14.887","","75.26","","78.85","","82.01","","1829.06","","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H38 N2 O6 -","- C49 H38 N2 O6 -","- C98 H76 N4 O12 -","2","1","","Cheriya, Rijo T.; Mallia, Ajith R.; Hariharan, Mahesh","Light harvesting vesicular donor‒acceptor scaffold limits the rate of charge recombination in the presence of an electron donor","Energy & Environmental Science","2014","7","5","1661","","10.1039/c3ee43293a","","","0.71073","MoKα","","0.2678","0.1541","","","0.4212","0.5014","","","","","","1.521","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514751","12.9199","0.0009","15.8918","0.0008","20.2181","0.0011","90","","95.307","0.002","90","","4133.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H41 F12 N7 O0 P2 -","- C39 H41 F12 N7 P2 -","- C156 H164 F48 N28 P8 -","4","1","","Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.","Metallomics : integrated biometal science","2014","6","8","1460","1468","10.1039/c4mt00046c","","","0.71073","MoKα","","0.1126","0.0727","","","0.1815","0.2048","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514753","17.9559","0.0007","18.8882","0.0007","17.9394","0.0007","90","","90","","90","","6084.2","0.4","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C30 H34 Ag F6 N5 P -","- C30 H34 Ag F6 N5 P -","- C240 H272 Ag8 F48 N40 P8 -","8","0.5","","Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.","Metallomics : integrated biometal science","2014","6","8","1460","1468","10.1039/c4mt00046c","","","0.71073","MoKα","","0.0504","0.0474","","","0.1359","0.1423","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514758","18.7883","0.001","17.8671","0.0008","18.1775","0.0007","90","","90","","90","","6102","0.5","150","2","150","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C30 H35 Au F6 N5 O0 P -","- C30 H35 Au F6 N5 P -","- C240 H280 Au8 F48 N40 P8 -","8","0.5","","Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.","Metallomics : integrated biometal science","2014","6","8","1460","1468","10.1039/c4mt00046c","","","0.71073","MoKα","","0.0616","0.0547","","","0.1377","0.1432","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514760","8.66","0.0005","19.8775","0.001","11.7276","0.0005","90","","130.999","0.003","90","","1523.62","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 F12 N4 P2 -","- C28 H34 F12 N4 P2 -","- C56 H68 F24 N8 P4 -","2","0.5","","Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.","Metallomics : integrated biometal science","2014","6","8","1460","1468","10.1039/c4mt00046c","","","0.71073","MoKα","","0.0683","0.0535","","","0.1428","0.1537","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514905","9.1328","0.0006","9.0544","0.0005","39.49","0.004","90","","90","","90","","3265.5","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N4 O8 S Zn -","- C12 H16 N4 O8 S Zn -","- C96 H128 N32 O64 S8 Zn8 -","8","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S.","Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands","The Journal of Physical Chemistry C","2014","118","17","9217","","10.1021/jp5007395","","","0.71073","MoKα","","0.0782","0.0571","","","0.1038","0.1124","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514906","6.8863","0.0009","10.0489","0.0009","12.7212","0.0013","90","","90.543","0.01","90","","880.26","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H16 Cd N4 O8 S -","- C12 H16 Cd N4 O8 S -","- C24 H32 Cd2 N8 O16 S2 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S.","Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands","The Journal of Physical Chemistry C","2014","118","17","9217","","10.1021/jp5007395","","","0.71073","MoKα","","0.0678","0.0625","","","0.1454","0.1545","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514907","21.2322","0.0006","8.5552","0.0003","9.475","0.0003","90","","94.688","0.003","90","","1715.34","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N6 O8 S Zn -","- C12 H18 N6 O8 S Zn -","- C48 H72 N24 O32 S4 Zn4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S.","Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands","The Journal of Physical Chemistry C","2014","118","17","9217","","10.1021/jp5007395","","","0.71073","MoKα","","0.0464","0.0366","","","0.0859","0.0917","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514908","9.5591","0.001","21.864","0.002","8.5122","0.0008","90","","90","","90","","1779.1","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H18 Cd N6 O8 S -","- C12 H18 Cd N6 O8 S -","- C48 H72 Cd4 N24 O32 S4 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S.","Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands","The Journal of Physical Chemistry C","2014","118","17","9217","","10.1021/jp5007395","","","0.71073","MoKα","","0.0876","0.0578","","","0.1158","0.1293","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514909","7.9153","0.0002","10.9871","0.0003","21.5221","0.0005","90","","90","","90","","1871.7","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 N6 O9 S Zn -","- C12 H20 N6 O9 S Zn -","- C48 H80 N24 O36 S4 Zn4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S.","Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands","The Journal of Physical Chemistry C","2014","118","17","9217","","10.1021/jp5007395","","","0.71073","MoKα","","0.0392","0.0336","","","0.0723","0.0768","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514910","10.3434","0.0008","10.8351","0.0009","17.8432","0.0014","88.992","0.005","74.957","0.004","66.544","0.004","1763.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H31 F N3 O5 P -","- C42 H31 F N3 O5 P -","- C84 H62 F2 N6 O10 P2 -","2","1","","Han, Ying; Sheng, Yin-Jian; Yan, Chao-Guo","Convenient Synthesis of Triphenylphosphanylidene Spiro[cyclopentane-1,3'-indolines] and Spiro[cyclopent[2]ene-1,3'-indolines] via Three-Component Reactions.","Organic letters","2014","16","10","2654","2657","10.1021/ol5008394","","","0.71073","MoKα","","0.1056","0.0534","","","0.1055","0.1227","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514911","11.5092","0.0013","20.748","0.002","18.3368","0.0017","90","","113.281","0.006","90","","4022.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 N3 O5 P -","- C39 H34 N3 O5 P -","- C156 H136 N12 O20 P4 -","4","1","","Han, Ying; Sheng, Yin-Jian; Yan, Chao-Guo","Convenient Synthesis of Triphenylphosphanylidene Spiro[cyclopentane-1,3'-indolines] and Spiro[cyclopent[2]ene-1,3'-indolines] via Three-Component Reactions.","Organic letters","2014","16","10","2654","2657","10.1021/ol5008394","","","0.71073","MoKα","","0.0704","0.0549","","","0.1418","0.1499","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514912","11.8143","0.0014","12.899","0.0015","16.002","0.0019","89.295","0.003","75.627","0.003","66.226","0.003","2151.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 F N2 O7 P -","- C46 H38 F N2 O7 P -","- C92 H76 F2 N4 O14 P2 -","2","1","","Han, Ying; Sheng, Yin-Jian; Yan, Chao-Guo","Convenient Synthesis of Triphenylphosphanylidene Spiro[cyclopentane-1,3'-indolines] and Spiro[cyclopent[2]ene-1,3'-indolines] via Three-Component Reactions.","Organic letters","2014","16","10","2654","2657","10.1021/ol5008394","","","0.71073","MoKα","","0.1486","0.0716","","","0.1855","0.2104","","","","","","0.986","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515021","9.0685","0.0004","9.5467","0.0004","10.5065","0.0005","90","","107.563","0.0017","90","","867.19","0.07","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H15 Br F3 N O3 -","- C17 H15 Br F3 N O3 -","- C34 H30 Br2 F6 N2 O6 -","2","1","","Corbett, Michael T.; Xu, Qihai; Johnson, Jeffrey S.","Trisubstituted 2-Trifluoromethyl Pyrrolidines via Catalytic Asymmetric Michael Addition/Reductive Cyclization.","Organic letters","2014","16","9","2362","2365","10.1021/ol500679w","","","1.54178","CuKα","","0.0178","0.0177","","","0.0462","0.0463","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515377","12.181","0.0011","16.841","0.004","20.805","0.0014","90","","102.322","0.014","90","","4169.6","1.1","122","","122.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Biotin[6]uril","","- C70 H108 N12 O20 S6 -","- C70 H107.621 N12 O20 S6 -","- C140 H215.243 N24 O40 S12 -","2","1","","Lisbjerg, Micke; Jessen, Bo M.; Rasmussen, Brian; Nielsen, Bjarne E.; Madsen, Anders Ø.; Pittelkow, Michael","Discovery of a cyclic 6 + 6 hexamer of d-biotin and formaldehyde","Chemical Science","2014","5","7","2647","","10.1039/c4sc00990h","","","0.71073","MoKα","","0.114","0.0758","","","0.201","0.2322","","","","","","1.098","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515378","12.468","0.012","16.713","0.016","21.06","0.02","90","","103.28","0.05","90","","4271","7","151","2","151","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H114 I N12 Na O23 S6 -","- C70 H114 I N12 Na O23 S6 -","- C140 H228 I2 N24 Na2 O46 S12 -","2","1","","Lisbjerg, Micke; Jessen, Bo M.; Rasmussen, Brian; Nielsen, Bjarne E.; Madsen, Anders Ø.; Pittelkow, Michael","Discovery of a cyclic 6 + 6 hexamer of d-biotin and formaldehyde","Chemical Science","2014","5","7","2647","","10.1039/c4sc00990h","","","0.71073","MoKα","","0.1125","0.0641","","","0.1375","0.159","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515379","13.004","0.002","15.655","0.002","20.436","0.003","90","","90.515","0.003","90","","4160.1","1","90","2","90.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H75 Cl N4 Si3 Th -","- C33 H75 Cl N4 Si3 Th -","- C132 H300 Cl4 N16 Si12 Th4 -","4","1","","Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls","Chemical Science","2014","5","6","2489","","10.1039/c4sc00182f","","","0.71073","MoKα","","0.0405","0.0332","","","0.0863","0.0901","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515380","9.347","0.002","22.333","0.006","18.92","0.005","90","","92.508","0.004","90","","3945.7","1.7","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H74 N4 Si3 U -","- C33 H74 N4 Si3 U -","- C132 H296 N16 Si12 U4 -","4","1","","Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls","Chemical Science","2014","5","6","2489","","10.1039/c4sc00182f","","","0.71073","MoKα","","0.124","0.111","","","0.2144","0.2195","","","","","","1.372","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515381","9.44392","0.00019","22.3863","0.0004","18.8042","0.0005","90","","92.5386","0.0019","90","","3971.58","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H74 N4 Si3 Th -","- C33 H74 N4 Si3 Th -","- C132 H296 N16 Si12 Th4 -","4","1","","Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls","Chemical Science","2014","5","6","2489","","10.1039/c4sc00182f","","","1.5418","CuKα","","0.0294","0.0279","","","0.0679","0.0686","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515382","18.7387","0.0006","24.4559","0.0007","24.9335","0.0008","60.713","0.003","89.936","0.003","69.909","0.003","9163","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H82 N4 Si3 Th -","- C40 H82 N4 Si3 Th -","- C320 H656 N32 Si24 Th8 -","8","4","","Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls","Chemical Science","2014","5","6","2489","","10.1039/c4sc00182f","","x-ray","1.54184","CuKα","","0.0678","0.0548","","","0.1324","0.1401","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515383","10.4802","0.0016","10.4802","0.0016","10.4802","0.0016","90","","90","","90","","1151.1","0.3","90","2","90","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al9.1 K8 Si36.9 -","- Al7.644 K8 Si38.356 -","- Al7.644 K8 Si38.356 -","1","0.0208333","","He, Yuping; Sui, Fan; Kauzlarich, Susan M.; Galli, Giulia","Si-based Earth abundant clathrates for solar energy conversion","Energy & Environmental Science","2014","7","8","2598","","10.1039/C4EE00256C","","","0.71073","MoKα","","0.0123","0.0113","","","0.0313","0.0322","","","","","","0.86","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515388","9.6066","0.001","11.7824","0.0013","15.8331","0.0017","90.523","0.006","95.662","0.006","100.184","0.006","1754.6","0.3","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C39.93 H52.38 O6.19 -","- C36.4636 H46.659 O5.7318 -","- C72.9272 H93.318 O11.4636 -","2","1","","Tran-Van, Anne-Florence; Götz, Silas; Neuburger, Markus; Wegner, Hermann A.","A Strain Induced Change of Mechanism from a [2 + 2 + 2] to a [2 + 1 + 2 + 1] Cycloaddition Reaction.","Organic letters","2014","16","9","2410","2413","10.1021/ol5007604","","","0.71073","MoKα","","0.1153","0.061","","0.1402","0.0689","0.0689","","","","","","1.0016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515389","8.4549","0.0004","10.6064","0.0004","17.4616","0.0007","72.98","0.002","76.359","0.002","67.627","0.002","1370.82","0.1","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H38 O6 -","- C31 H38 O6 -","- C62 H76 O12 -","2","1","","Tran-Van, Anne-Florence; Götz, Silas; Neuburger, Markus; Wegner, Hermann A.","A Strain Induced Change of Mechanism from a [2 + 2 + 2] to a [2 + 1 + 2 + 1] Cycloaddition Reaction.","Organic letters","2014","16","9","2410","2413","10.1021/ol5007604","","","0.71073","MoKα","","0.0804","0.04","","0.0945","0.043","0.0411","","","","","","1.1157","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515390","9.3751","0.0016","9.8572","0.0017","16.631","0.003","90","","101.792","0.002","90","","1504.5","0.5","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H39 N O6 S -","- C33 H39 N O6 S -","- C66 H78 N2 O12 S2 -","2","1","","Zhou, Zhi; Feng, Xin; Yin, Xiang; Chen, Ying-Chun","Direct Remote Asymmetric Bisvinylogous 1,4-Additions of Cyclic 2,5-Dienones to Nitroalkenes.","Organic letters","2014","16","9","2370","2373","10.1021/ol500700d","","","0.71073","MoKα","","0.0393","0.0361","","","0.0762","0.0785","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1515391","6.8189","0.0016","9.465","0.002","33.233","0.008","90","","90","","90","","2144.9","0.9","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O3 S -","- C24 H27 N O3 S -","- C96 H108 N4 O12 S4 -","4","1","","Zhou, Zhi; Feng, Xin; Yin, Xiang; Chen, Ying-Chun","Direct Remote Asymmetric Bisvinylogous 1,4-Additions of Cyclic 2,5-Dienones to Nitroalkenes.","Organic letters","2014","16","9","2370","2373","10.1021/ol500700d","","","0.71073","MoKα","","0.0553","0.0487","","","0.1243","0.1304","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1515392","5.7785","0.0003","7.0086","0.0004","36.717","0.002","90","","90","","90","","1487.01","0.14","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N O4 S -","- C15 H12 Br N O4 S -","- C60 H48 Br4 N4 O16 S4 -","4","1","","Zhang, Heng-Xia; Nie, Jing; Cai, Hua; Ma, Jun-An","Cyclic Aldimines as Superior Electrophiles for Cu-Catalyzed Decarboxylative Mannich Reaction of β-Ketoacids with a Broad Scope and High Enantioselectivity.","Organic letters","2014","16","9","2542","2545","10.1021/ol500929d","","","0.71073","MoKα","","0.0262","0.0233","","","0.0552","0.0562","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515393","12.722","0.002","13.0363","0.0007","13.7737","0.0008","75.631","0.005","88.85","0.006","85.215","0.005","2205.2","0.4","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H32 Cl2 N4 O2 S12 -","- C37 H32 Cl2 N4 O2 S12 -","- C74 H64 Cl4 N8 O4 S24 -","2","1","","Cotelle, Yoann; Allain, Magali; Legoupy, Stéphanie; Hudhomme, Piétrick","Fused glycoluril-tetrathiafulvalene molecular clips as receptors for neutral electron acceptor guests.","Organic letters","2014","16","10","2590","2593","10.1021/ol500458e","","x-ray","0.71073","MoKα","","0.1544","0.0624","","","0.1239","0.1555","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515394","8.2764","0.0006","17.108","0.002","20.28","0.002","71.044","0.006","86.04","0.01","86.672","0.008","2707.4","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C45.34 H36.68 Cl2.68 N8 O2 S12 -","- C45.34 H36.68 Cl2.68 N8 O2 S12 -","- C90.68 H73.36 Cl5.36 N16 O4 S24 -","2","1","","Cotelle, Yoann; Allain, Magali; Legoupy, Stéphanie; Hudhomme, Piétrick","Fused glycoluril-tetrathiafulvalene molecular clips as receptors for neutral electron acceptor guests.","Organic letters","2014","16","10","2590","2593","10.1021/ol500458e","","x-ray","0.71073","MoKα","","0.1302","0.0604","","","0.1308","0.1583","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515395","15.8662","0.0012","13.3414","0.0011","23.2173","0.0018","90","","96.374","0.001","90","","4884.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N2 O9 Zn -","- C22 H28 N2 O9 Zn -","- C176 H224 N16 O72 Zn8 -","8","2","","Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E.","New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling","Catalysis Science & Technology","2014","4","6","1658","","10.1039/c4cy00125g","","","0.71073","MoKα","","0.0892","0.0432","","","0.0876","0.1034","","","","","","1.005","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1515396","10.7526","0.0005","11.5952","0.0005","19.6353","0.0009","90","","100.72","0.001","90","","2405.38","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N4 O5 S Zn -","- C22 H26 N4 O5 S Zn -","- C88 H104 N16 O20 S4 Zn4 -","4","1","","Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E.","New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling","Catalysis Science & Technology","2014","4","6","1658","","10.1039/c4cy00125g","","","0.71073","MoKα","","0.0245","0.0218","","","0.0563","0.0578","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515397","10.9276","0.0006","11.7495","0.0006","18.1519","0.001","90","","97.784","0.001","90","","2309.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N4 O5 S Zn -","- C20 H20 Cl2 N4 O5 S Zn -","- C80 H80 Cl8 N16 O20 S4 Zn4 -","4","1","","Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E.","New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling","Catalysis Science & Technology","2014","4","6","1658","","10.1039/c4cy00125g","","","0.71073","MoKα","","0.0457","0.0331","","","0.0827","0.0863","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515398","13.3344","0.0008","9.1475","0.0006","24.1887","0.0015","90","","103.983","0.001","90","","2863","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl2 N2 O9 S Zn -","- C24 H30 Cl2 N2 O9 S Zn -","- C96 H120 Cl8 N8 O36 S4 Zn4 -","4","1","","Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E.","New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling","Catalysis Science & Technology","2014","4","6","1658","","10.1039/c4cy00125g","","","0.71073","MoKα","","0.0302","0.0275","","","0.065","0.0665","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515399","7.8991","0.0005","26.6878","0.0018","15.6509","0.0011","90","","97.072","0.001","90","","3274.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 N2 O10 S2 Zn -","- C28 H42 N2 O10 S2 Zn -","- C112 H168 N8 O40 S8 Zn4 -","4","1","","Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E.","New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling","Catalysis Science & Technology","2014","4","6","1658","","10.1039/c4cy00125g","","","0.71073","MoKα","","0.0829","0.0637","","","0.1765","0.1826","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515400","12.5666","0.0001","19.7682","0.0002","20.4056","0.0002","90","","107.382","0.001","90","","4837.65","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H50 B Ca F15 N2 O -","- C51 H50 B Ca F15 N2 O -","- C204 H200 B4 Ca4 F60 N8 O4 -","4","1","","Anker, Mathew D.; Arrowsmith, Merle; Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.; Weetman, Catherine","Selective reduction of CO2 to a methanol equivalent by B(C6F5)3-activated alkaline earth catalysis","Chemical Science","2014","5","7","2826","","10.1039/c4sc00885e","","","0.71073","MoKα","","0.0615","0.0388","","","0.0873","0.0974","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515401","25.258","0.0008","12.873","0.0004","34.507","0.001","90","","99.746","0.001","90","","11057.9","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56.8 H50.6 B F15 Mg N2 O4 -","- C56.8 H50.6 B F15 Mg N2 O4 -","- C454.4 H404.8 B8 F120 Mg8 N16 O32 -","8","1","","Anker, Mathew D.; Arrowsmith, Merle; Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.; Weetman, Catherine","Selective reduction of CO2 to a methanol equivalent by B(C6F5)3-activated alkaline earth catalysis","Chemical Science","2014","5","7","2826","","10.1039/c4sc00885e","","","0.71073","MoKα","","0.1395","0.0761","","","0.1862","0.2228","","","","","","1.024","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515402","9.371","0.002","9.447","0.002","27.755","0.007","84.533","0.006","83.63","0.007","88.365","0.009","2430.4","1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H58 N4 O8 S4 -","- C52 H58 N4 O8 S4 -","- C104 H116 N8 O16 S8 -","2","1","","Wu, Guanglu; Thomas, Joice; Smet, Mario; Wang, Zhiqiang; Zhang, Xi","Controlling the self-assembly of cationic bolaamphiphiles: hydrotropic counteranions determine aggregated structures","Chemical Science","2014","5","8","3267","","10.1039/c4sc00860j","","","0.71073","MoKα","","0.1244","0.0952","","","0.1939","0.2138","","","","","","1.152","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515403","13.5061","0.0005","13.6726","0.0005","15.5153","0.0005","112.007","0.002","103.362","0.002","102.907","0.002","2427.06","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52.69 H51.38 Cl1.38 N8 O8 -","- C52.69 H50 Cl1.36 N8 O8 -","- C105.38 H100 Cl2.72 N16 O16 -","2","1","","Gavette, Jesse V.; Evoniuk, Christopher J.; Zakharov, Lev N.; Carnes, Matthew E.; Haley, Michael M.; Johnson, Darren W.","Exploring Anion-Induced Conformational Flexibility and Molecular Switching in a Series of Heteroaryl-Urea Receptors.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","7","2899","2905","10.1039/C4SC00950A","","","1.54178","CuKα","","0.0751","0.0589","","","0.1677","0.1833","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515404","12.6483","0.0016","6.9763","0.0009","25.125","0.003","90","","101.115","0.002","90","","2175.4","0.5","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 O4 -","- C24 H24 N4 O4 -","- C96 H96 N16 O16 -","4","1","","Gavette, Jesse V.; Evoniuk, Christopher J.; Zakharov, Lev N.; Carnes, Matthew E.; Haley, Michael M.; Johnson, Darren W.","Exploring Anion-Induced Conformational Flexibility and Molecular Switching in a Series of Heteroaryl-Urea Receptors.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","7","2899","2905","10.1039/C4SC00950A","","","0.71073","MoKα","","0.0635","0.0487","","","0.1339","0.1503","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515405","9.613","0.0019","10.826","0.002","12.485","0.003","87.67","0.03","67.81","0.03","73.16","0.03","1148","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","PropBisThyPropOate","Propyl-linked bis-thymine propanoate","","- C21 H28 N4 O8 -","- C21 H28 N4 O8 -","- C42 H56 N8 O16 -","2","1","","Johnston, Priscilla; Wheldale, Dylan; Braybrook, Carl; Saito, Kei","Topochemical polymerization using bis-thyminyl monomers","Polymer Chemistry","2014","5","14","4375","","10.1039/c4py00265b","","","0.7107","synchrotron","","0.0883","0.0768","","","0.2072","0.2159","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515406","9.06","0.0018","16.13","0.003","9.92","0.002","90","","104.89","0.03","90","","1401","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MeOArylBisThyPropOate","Methoxy Aryl Linked bis Thymine Propanoate","","- C28 H34 N4 O10 -","- C28 H34 N4 O10 -","- C56 H68 N8 O20 -","2","0.5","","Johnston, Priscilla; Wheldale, Dylan; Braybrook, Carl; Saito, Kei","Topochemical polymerization using bis-thyminyl monomers","Polymer Chemistry","2014","5","14","4375","","10.1039/c4py00265b","","","0.71253","synchrotron","","0.0877","0.0821","","","0.2263","0.2314","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515407","11.598","0.002","13.027","0.003","13.432","0.003","75.17","0.03","72.07","0.03","69.32","0.03","1781.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","DiEtOArylBisThyPropOate","DiEtOArylBisThyPropOate","","- C30 H38 N4 O10 -","- C30 H38 N4 O10 -","- C60 H76 N8 O20 -","2","1","","Johnston, Priscilla; Wheldale, Dylan; Braybrook, Carl; Saito, Kei","Topochemical polymerization using bis-thyminyl monomers","Polymer Chemistry","2014","5","14","4375","","10.1039/c4py00265b","","","0.7107","synchrotron","","0.1312","0.0956","","","0.2796","0.3108","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515755","9.164","0.0016","14.0102","0.0017","9.5202","0.0018","90","","117.23","0.02","90","","1086.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H29 B N O2 P -","- C23 H29 B N O2 P -","- C46 H58 B2 N2 O4 P2 -","2","1","","Rast, Slavko; Mohar, Barbara; Stephan, Michel","Efficient Asymmetric Syntheses of 1-Phenyl-phosphindane, Derivatives, and 2- or 3-Oxa Analogues: Mission Accomplished.","Organic letters","2014","16","10","2688","2691","10.1021/ol500970x","","","0.71073","MoKα","","0.0745","0.0583","","","0.1426","0.1584","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515756","11.8787","0.0002","8.9358","0.0002","12.7533","0.0003","90","","108.685","0.002","90","","1282.36","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 B O P -","- C13 H14 B O P -","- C52 H56 B4 O4 P4 -","4","2","","Rast, Slavko; Mohar, Barbara; Stephan, Michel","Efficient Asymmetric Syntheses of 1-Phenyl-phosphindane, Derivatives, and 2- or 3-Oxa Analogues: Mission Accomplished.","Organic letters","2014","16","10","2688","2691","10.1021/ol500970x","","","1.54184","CuKα","","0.0491","0.0459","","","0.1324","0.1376","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515757","9.5536","0.0009","9.8415","0.0011","17.0212","0.0017","90","","90","","90","","1600.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Li, Yi; Xu, Ming-Hua","Rhodium-catalyzed asymmetric tandem cyclization for efficient and rapid access to underexplored heterocyclic tertiary allylic alcohols containing a tetrasubstituted olefin.","Organic letters","2014","16","10","2712","2715","10.1021/ol500993h","","","0.71073","MoKα","","0.0373","0.0324","","","0.0817","0.0851","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515758","9.877","0.0011","12.0636","0.0014","27.244","0.003","90","","90","","90","","3246.2","0.6","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Cl F O2 -","- C18 H16 Cl F O2 -","- C144 H128 Cl8 F8 O16 -","8","1","","Li, Yi; Xu, Ming-Hua","Rhodium-catalyzed asymmetric tandem cyclization for efficient and rapid access to underexplored heterocyclic tertiary allylic alcohols containing a tetrasubstituted olefin.","Organic letters","2014","16","10","2712","2715","10.1021/ol500993h","","","0.71073","MoKα","","0.0438","0.0373","","","0.0881","0.0913","","","","","","1.27","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515759","8.5437","0.0006","22.8556","0.0014","9.3763","0.0007","90","","103.988","0.002","90","","1776.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O3 S -","- C18 H20 N2 O3 S -","- C72 H80 N8 O12 S4 -","4","1","","Miura, Tomoya; Funakoshi, Yuuta; Tanaka, Takamasa; Murakami, Masahiro","Direct Production of Enaminones from Terminal Alkynes via Rhodium-Catalyzed Reaction of Formamides with N-Sulfonyl-1,2,3-triazoles.","Organic letters","2014","16","10","2760","2763","10.1021/ol5010774","","","0.71075","MoKα","","0.0749","0.0603","","","0.1151","0.1238","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515873","10.8837","0.001","9.9484","0.001","24.339","0.002","90","","90","","90","","2635.3","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0643","0.0387","","","0.0812","0.0908","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515874","12.7394","0.001","5.3825","0.0004","17.5551","0.0013","90","","95.114","0.0012","90","","1198.96","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0465","0.0357","","","0.086","0.0934","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515875","6.107","0.0004","17.9729","0.0011","11.7273","0.0007","90","","93.8337","0.0007","90","","1284.31","0.14","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O5 -","- C13 H18 O5 -","- C52 H72 O20 -","4","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0419","0.0365","","","0.0949","0.0996","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515876","13.3403","0.0012","36.423","0.003","8.3934","0.0008","90","","97.753","0.0012","90","","4041","0.6","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 N O4 -","- C12 H23 N O4 -","- C144 H276 N12 O48 -","12","3","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0898","0.0549","","","0.1171","0.1318","","","","","","1.066","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1515877","5.4272","0.0007","8.1299","0.0011","29.841","0.004","90","","90","","90","","1316.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 F3 O5 -","- C12 H13 F3 O5 -","- C48 H52 F12 O20 -","4","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0344","0.0294","","","0.0628","0.0651","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515878","5.3299","0.0002","7.8346","0.0004","26.1897","0.0012","90","","90","","90","","1093.62","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0285","0.0269","","","0.0719","0.0732","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515879","14.7841","0.0009","8.6141","0.0005","10.4165","0.0006","90","","108.515","0.001","90","","1257.9","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O6 -","- C12 H18 O6 -","- C48 H72 O24 -","4","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0456","0.0349","","","0.0815","0.0883","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515880","6.3303","0.0006","10.0505","0.001","10.7006","0.001","112.38","0.001","96.09","0.002","103.804","0.002","596.46","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O5 -","- C12 H16 O5 -","- C24 H32 O10 -","2","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0565","0.0399","","","0.0981","0.1089","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515881","9.6031","0.0001","8.4478","0.0001","10.8364","0.0002","90","","101.527","0.0004","90","","861.37","0.02","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","eri666re","","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C34 H42 N6 O10 -","2","1","","Arai, Takayoshi; Matsumura, Eri; Masu, Hyuma","Bis(imidazolidine)pyridine-NiCl2 Catalyst for Nitro-Mannich Reaction of Isatin-Derived N-Boc Ketimines: Asymmetric Synthesis of Chiral 3-Substituted 3-Amino-2-oxindoles.","Organic letters","2014","16","10","2768","2771","10.1021/ol501085y","","","1.54178","CuKα","","0.0263","0.0262","","","0.0697","0.0698","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515882","12.1651","0.0004","11.0065","0.0003","11.8112","0.0003","90","","99.351","0.001","90","","1560.45","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TripSNH3","","","- C15 H26 Sn -","- C15 H26 Sn -","- C60 H104 Sn4 -","4","1","","Sindlinger, Christian P.; Wesemann, Lars","Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6]","Chemical Science","2014","5","7","2739","","10.1039/c4sc00365a","","","0.71073","MoKα","","0.0147","0.0132","","","0.035","0.036","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515883","13.7423","0.0003","19.1733","0.0005","18.7204","0.0005","90","","105.761","0.001","90","","4747.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H74 N2 Sn -","- C52 H74 N2 Sn -","- C208 H296 N8 Sn4 -","4","1","","Sindlinger, Christian P.; Wesemann, Lars","Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6]","Chemical Science","2014","5","7","2739","","10.1039/c4sc00365a","","","0.71073","MoKα","","0.0312","0.0256","","","0.0578","0.0605","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515884","15.8297","0.0006","14.7507","0.0006","43.5163","0.0017","90","","97.259","0.002","90","","10079.6","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C104 H154 Sn6 -","- C104 H154 Sn6 -","- C416 H616 Sn24 -","4","1","","Sindlinger, Christian P.; Wesemann, Lars","Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6]","Chemical Science","2014","5","7","2739","","10.1039/c4sc00365a","","","0.71073","MoKα","","0.0594","0.0388","","","0.0728","0.0801","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515885","12.6984","0.0007","7.5774","0.0004","15.0315","0.0009","90","","102.303","0.006","90","","1413.13","0.14","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N -","- C17 H19 N -","- C68 H76 N4 -","4","1","","Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J.","Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines","Chemical Science","2014","5","7","2732","","10.1039/c4sc00415a","","","0.71073","MoKα","","0.0593","0.0526","","","0.1483","0.1553","","","","","","0.909","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515886","6.9028","0.0018","11.787","0.002","25.657","0.012","89.74","0.02","87.38","0.03","85.551","0.018","2079.1","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Br N O2 S -","- C22 H20 Br N O2 S -","- C88 H80 Br4 N4 O8 S4 -","4","2","","Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J.","Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines","Chemical Science","2014","5","7","2732","","10.1039/c4sc00415a","","","0.71073","MoKα","","0.2131","0.1624","","","0.3726","0.4133","","","","","","1.265","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515887","12.8758","0.0003","17.5058","0.0004","18.2986","0.0004","90","","90","","90","","4124.53","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C200 H176 N16 O24 -","8","1","","Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J.","Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines","Chemical Science","2014","5","7","2732","","10.1039/c4sc00415a","","","0.71073","MoKα","","0.0608","0.0507","","","0.1066","0.1113","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515898","12.0856","0.0011","7.4117","0.0007","23.495","0.002","90","","90.629","0.002","90","","2104.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Br2 O2 -","- C24 H20 Br2 O2 -","- C96 H80 Br8 O8 -","4","1","","Huang, Changfeng; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Functionalized Carbon Nanohoops: Synthesis and Structure of a [9]Cycloparaphenylene Bearing Three 5,8-Dimethoxynaphth-1,4-diyl Units.","Organic letters","2014","16","10","2672","2675","10.1021/ol500904x","","","0.71073","MoKα","","0.055","0.038","","","0.1003","0.1082","","","","","","1.03","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1515899","15.9298","0.0011","30.8837","0.0019","23.5589","0.0015","90","","90.976","0.001","90","","11588.6","1.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H47 O4 -","- C48 H40 O4 -","- C576 H480 O48 -","12","3","","Huang, Changfeng; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Functionalized Carbon Nanohoops: Synthesis and Structure of a [9]Cycloparaphenylene Bearing Three 5,8-Dimethoxynaphth-1,4-diyl Units.","Organic letters","2014","16","10","2672","2675","10.1021/ol500904x","","","0.71073","MoKα","","0.1973","0.0583","","","0.1352","0.1689","","","","","","0.749","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1515900","12.845","0.001","6.7365","0.0007","22.24","0.002","90","","101.173","0.002","90","","1888","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br2 O2 -","- C22 H16 Br2 O2 -","- C88 H64 Br8 O8 -","4","1","","Huang, Changfeng; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Functionalized Carbon Nanohoops: Synthesis and Structure of a [9]Cycloparaphenylene Bearing Three 5,8-Dimethoxynaphth-1,4-diyl Units.","Organic letters","2014","16","10","2672","2675","10.1021/ol500904x","","","0.71073","MoKα","","0.0845","0.0592","","","0.1557","0.1732","","","","","","1.045","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1515901","5.8497","0.0016","8.507","0.003","24.476","0.007","90","","90","","90","","1218","0.6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O -","- C14 H22 O -","- C56 H88 O4 -","4","1","","Terada, Takuma; Kurahashi, Takuya; Matsubara, Seijiro","Diastereoselective Construction of Trans-Fused Octalone Framework via Ruthenium-Porphyrin-Catalyzed Cycloaddition.","Organic letters","2014","16","10","2594","2597","10.1021/ol500625r","","","0.71075","MoKα","","","0.0856","","","","0.2216","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515902","5.4255","0.0006","9.6517","0.0011","12.7498","0.0015","91.736","0.007","93.937","0.007","94.455","0.007","663.63","0.13","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 Cl O -","- C16 H17 Cl O -","- C32 H34 Cl2 O2 -","2","1","","Terada, Takuma; Kurahashi, Takuya; Matsubara, Seijiro","Diastereoselective Construction of Trans-Fused Octalone Framework via Ruthenium-Porphyrin-Catalyzed Cycloaddition.","Organic letters","2014","16","10","2594","2597","10.1021/ol500625r","","","0.71075","MoKα","","","0.0518","","","","0.1728","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515903","19.218","0.005","5.8015","0.0013","9.748","0.003","90","","101.087","0.007","90","","1066.6","0.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O -","- C12 H18 O -","- C48 H72 O4 -","4","1","","Terada, Takuma; Kurahashi, Takuya; Matsubara, Seijiro","Diastereoselective Construction of Trans-Fused Octalone Framework via Ruthenium-Porphyrin-Catalyzed Cycloaddition.","Organic letters","2014","16","10","2594","2597","10.1021/ol500625r","","","0.71075","MoKα","","","0.059","","","","0.1915","","","","","","0.922","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515906","9.8","0.0002","12.6442","0.0002","23.2653","0.0003","100.197","0.001","100.351","0.001","100.798","0.001","2718.72","0.08","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Chisholm1929","","","- C60 H52 Mo2 N6 O10 -","- C60 H52 Mo2 N6 O10 -","- C120 H104 Mo4 N12 O20 -","2","1","","Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Spilker, Thomas F.; Young, Philip J.","Molybdenum‒molybdenum quadruple bonds supported by 9,10-anthraquinone carboxylate ligands. Molecular, electronic, ground state and unusual photoexcited state properties","Chemical Science","2014","5","7","2657","","10.1039/c4sc00341a","","x-ray","0.71073","MoKα","","0.0843","0.0449","","","0.1006","0.1108","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515907","13.6878","0.0003","11.4342","0.0003","27.5312","0.0006","90","","109.089","0.001","90","","4071.94","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H55 Al N3 O2 -","- C47 H55 Al N3 O2 -","- C188 H220 Al4 N12 O8 -","4","1","","Myers, T. W.; Berben, L. A.","Aluminium‒ligand cooperation promotes selective dehydrogenation of formic acid to H2 and CO2","Chemical Science","2014","5","7","2771","","10.1039/c4sc01035c","","","1.54178","CuKα","","0.0936","0.0666","","","0.176","0.1894","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515908","9.891","0.005","9.891","0.005","33.183","0.005","90","","90","","120","","2811","2","100","1","100","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H30 Cl2 Co N4 O4 -","- C12 H30 Cl2 Co N4 O4 -","- C72 H180 Cl12 Co6 N24 O24 -","6","0.333333","","Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal","Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes","Chemical Science","2014","5","9","3418","","10.1039/C4SC00984C","","x-ray","0.71069","MoKα","","0.032","0.0287","","","0.0775","0.0801","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515909","12.0262","0.0004","12.0262","0.0004","12.0262","0.0004","90","","90","","90","","1739.34","0.1","100","1","100","1","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C12 H30 Br2 Co N4 -","- C12 H30 Br2 Co N4 -","- C48 H120 Br8 Co4 N16 -","4","0.333333","","Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal","Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes","Chemical Science","2014","5","9","3418","","10.1039/C4SC00984C","","x-ray","0.71073","MoKα","","0.0282","0.0212","","","0.0288","0.0295","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515910","9.9025","0.0003","9.9025","0.0003","33.1835","0.0012","90","","90","","120","","2818.01","0.16","100","1","100","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H30 Cl2 N4 O4 Zn -","- C12 H30 Cl2 N4 O4 Zn -","- C72 H180 Cl12 N24 O24 Zn6 -","6","0.333333","","Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal","Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes","Chemical Science","2014","5","9","3418","","10.1039/C4SC00984C","","x-ray","0.71073","MoKα","","0.0373","0.0283","","","0.0597","0.0639","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515942","11.233","0.0019","22.492","0.004","7.1548","0.0012","90","","99.452","0.003","90","","1783.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H21 Cl N2 O2 -","- C20.5 H21 Cl N2 O2 -","- C82 H84 Cl4 N8 O8 -","4","1","","Min, Chang; Sanchawala, Abbas; Seidel, Daniel","Dual C-H Functionalization of N-Aryl Amines: Synthesis of Polycyclic Amines via an Oxidative Povarov Approach.","Organic letters","2014","16","10","2756","2759","10.1021/ol501073f","","","0.71073","MoKα","","0.0914","0.0795","","","0.2032","0.2129","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515943","5.5633","0.0005","9.9288","0.0011","19.482","0.002","96.408","0.004","94.57","0.006","95.403","0.006","1060.22","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H62 Br2 N2 O2 -","- C50 H62 Br2 N2 O2 -","- C50 H62 Br2 N2 O2 -","1","0.5","","Zhang, Haichang; Neudörfl, Jörg-Martin; Tieke, Bernd","1,6-Naphthodione-based monomers and polymers","Polymer Chemistry","2014","5","12","3754","","10.1039/c4py00388h","","","0.71073","MoKα","","0.1243","0.0725","","","0.163","0.1856","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515947","15.368","0.0003","55.574","0.0013","6.2795","0.0002","90","","90","","90","","5363.1","0.2","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H37 N O5 Si -","- C28 H37 N O5 Si -","- C224 H296 N8 O40 Si8 -","8","2","","Trost, Barry M.; Ehmke, Veronika","An approach for rapid increase in molecular complexity: atom economic routes to fused polycyclic ring systems.","Organic letters","2014","16","10","2708","2711","10.1021/ol5009872","","","1.54184","CuKα","","0.0829","0.0669","","","0.1644","0.1765","","","","","","1.025","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1515976","6.0539","0.0002","11.5542","0.0004","13.5149","0.0005","90","","102.108","0.002","90","","924.31","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C42 H64 O8 -","2","1","","Kumar, Chebolu Naga Sesha Sai Pavan; Chein, Rong-Jie","Synthesis of labdane diterpenes galanal a and B from (+)-sclareolide.","Organic letters","2014","16","11","2990","2992","10.1021/ol501121v","","","0.71073","MoKα","","0.0597","0.0406","","","0.0801","0.0875","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515977","8.9976","0.0005","10.8156","0.0006","16.5526","0.0009","90","","90","","90","","1610.81","0.15","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","Jhuo, Dai-Huei; Hong, Bor-Cherng; Chang, Chun-Wei; Lee, Gene-Hsiang","One-pot organocatalytic enantioselective Michael-Michael-aldol-Henry reaction cascade. A facile entry to the steroid system with six contiguous stereogenic centers.","Organic letters","2014","16","10","2724","2727","10.1021/ol501011t","","","0.71073","MoKα","","0.0493","0.0415","","","0.0976","0.1025","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515978","18.9352","0.0009","29.3697","0.0013","6.2956","0.0003","90","","90","","90","","3501.1","0.3","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H22 Br N O5 -","- C18 H22 Br N O5 -","- C144 H176 Br8 N8 O40 -","8","2","","Jhuo, Dai-Huei; Hong, Bor-Cherng; Chang, Chun-Wei; Lee, Gene-Hsiang","One-pot organocatalytic enantioselective Michael-Michael-aldol-Henry reaction cascade. A facile entry to the steroid system with six contiguous stereogenic centers.","Organic letters","2014","16","10","2724","2727","10.1021/ol501011t","","","0.71073","MoKα","","0.0711","0.0561","","","0.1157","0.1274","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515979","7.3853","0.0002","10.1226","0.0002","17.8638","0.0003","90","","90","","90","","1335.47","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C56 H76 N4 O16 -","4","1","","Jhuo, Dai-Huei; Hong, Bor-Cherng; Chang, Chun-Wei; Lee, Gene-Hsiang","One-pot organocatalytic enantioselective Michael-Michael-aldol-Henry reaction cascade. A facile entry to the steroid system with six contiguous stereogenic centers.","Organic letters","2014","16","10","2724","2727","10.1021/ol501011t","","","0.71073","MoKα","","0.0484","0.0395","","","0.0999","0.1045","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515980","25.739","0.005","9.667","0.005","12.857","0.005","90","","90","","90","","3199","2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H44 N4 O4 -","- C36 H44 N4 O4 -","- C144 H176 N16 O16 -","4","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.0587","0.0475","","","0.1081","0.1187","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515981","12.114","0.005","12.234","0.005","14.573","0.005","107.079","0.005","98.454","0.005","105.459","0.005","1929.4","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 N2 O8 S2 -","- C44 H42 N2 O8 S2 -","- C88 H84 N4 O16 S4 -","2","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.0973","0.0613","","","0.142","0.1728","","","","","","0.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515982","13.658","0.005","11.024","0.005","26.112","0.005","90","","100.241","0.005","90","","3869","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 N3 O6 S2 -","- C44 H45 N3 O6 S2 -","- C176 H180 N12 O24 S8 -","4","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.0672","0.0417","","","0.0876","0.0972","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515983","12.802","0.005","19.593","0.005","25.555","0.005","90","0.005","90","0.005","90","0.005","6410","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H44 N4 O4 -","- C36 H44 N4 O4 -","- C288 H352 N32 O32 -","8","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.1482","0.0999","","","0.2462","0.2831","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515984","29.124","0.005","8.811","0.005","29.171","0.005","90","","90","","90","","7486","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H46 N2 O8 S2 -","- C40 H38 N2 O4 S2 -","- C320 H304 N16 O32 S16 -","8","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.1095","0.0705","","","0.1802","0.2061","","","","","","0.85","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515985","13.109","0.005","14.562","0.005","19.787","0.005","90","","98.818","0.005","90","","3733","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H40 N2 O8 S2 -","- C43 H40 N2 O8 S2 -","- C172 H160 N8 O32 S8 -","4","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.0547","0.0374","","","0.0841","0.0918","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515986","9.393","0.005","29.532","0.005","15.825","0.005","90","","99.223","0.005","90","","4333","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 N4 O8 S2 -","- C48 H52 N4 O8 S2 -","- C192 H208 N16 O32 S8 -","4","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.0752","0.0499","","","0.1106","0.129","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515987","10.515","0.005","13.39","0.005","15.724","0.005","84.427","0.005","72.768","0.005","67.283","0.005","1950.1","1.3","293","2","566","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H49 N2 O7 S2 -","- C44 H48 N2 O7 S2 -","- C88 H96 N4 O14 S4 -","2","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.1038","0.0756","","","0.191","0.241","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515988","10.915","0.004","10.002","0.003","27.209","0.009","90","","90","","90","","2970.5","1.7","188","1","188","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N4 O4 -","- C36 H36 N4 O4 -","- C144 H144 N16 O16 -","4","0.5","","Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas","Small Head-to-Tail Macrocyclic α-Peptoids.","Organic letters","2014","16","10","2780","2783","10.1021/ol501102b","","x-ray","0.71073","MoKα","","0.1129","0.0607","","","0.1353","0.1642","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515989","17.232","0.012","5.508","0.004","17.915","0.012","90","","114.836","0.01","90","","1543.1","1.9","188","1","188","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N4 O4 -","- C36 H36 N4 O4 -","- C72 H72 N8 O8 -","2","0.5","","Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas","Small Head-to-Tail Macrocyclic α-Peptoids.","Organic letters","2014","16","10","2780","2783","10.1021/ol501102b","","x-ray","0.71073","MoKα","","0.1007","0.0562","","","0.1322","0.1542","","","","","","1.122","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515990","17.384","0.005","9.096","0.002","28.177","0.007","90","","90","","90","","4455","2","188","1","188","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H27 N3 O3 -","- C27 H27 N3 O3 -","- C216 H216 N24 O24 -","8","2","","Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas","Small Head-to-Tail Macrocyclic α-Peptoids.","Organic letters","2014","16","10","2780","2783","10.1021/ol501102b","","x-ray","0.71073","MoKα","","0.0893","0.0411","","","0.0725","0.0877","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515991","24.448","0.016","13.284","0.006","27.047","0.012","90","","102.463","0.011","90","","8577","8","188","1","188","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45.5 H45.5 Cl1.5 N5 O5 -","- C45 H45 N5 O5 -","- C360 H360 N40 O40 -","8","1","","Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas","Small Head-to-Tail Macrocyclic α-Peptoids.","Organic letters","2014","16","10","2780","2783","10.1021/ol501102b","","x-ray","0.71073","MoKα","","0.2204","0.118","","","0.3592","0.3831","","","","","","1.093","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515992","19.5118","0.0004","19.5118","0.0004","12.0531","0.0003","90","","90","","120","","3973.97","0.15","293","2","293","2","","","","","","","","4","P 64","P 64","172","","","","- C46 H52 N4 O18 -","- C46 H52 N4 O18 -","- C138 H156 N12 O54 -","3","0.5","","Zhang, Juanli; Qian, Zhengyi; Wu, Xingkang; Ding, Yanjiao; Li, Jianfang; Lu, Chunhua; Shen, Yuemao","Juanlimycins A and B, Ansamycin Macrodilactams from Streptomyces sp.","Organic letters","2014","16","10","2752","2755","10.1021/ol501072t","","","1.54178","CuKα","","0.1275","0.0771","","","0.1638","0.1859","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515993","24.2504","0.0002","8.1885","0.0001","21.5299","0.0003","90","","110.491","0.001","90","","4004.78","0.09","110","2","110","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C29 H20 O -","- C29 H20 O -","- C232 H160 O8 -","8","1","","Pal, Rumpa; Mukherjee, Somnath; Chandrasekhar, S.; Guru Row, T. N.","Exploring cyclopentadienone antiaromaticity: charge density studies of various tetracyclones.","The journal of physical chemistry. A","2014","118","19","3479","3489","10.1021/jp5010924","","x-ray","0.71073","MoKα","","0.051","0.028","","","","0.058","","","","","","1.272","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515994","10.7362","0.0005","14.1883","0.0007","12.3716","0.0006","90","","108.855","0.002","90","","1783.42","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O3 S2 -","- C17 H16 N2 O3 S2 -","- C68 H64 N8 O12 S8 -","4","1","","Li, Yiming; Pu, Jiahua; Jiang, Xuefeng","A highly efficient cu-catalyzed s-transfer reaction: from amine to sulfide.","Organic letters","2014","16","10","2692","2695","10.1021/ol5009747","","","0.71073","MoKα","","0.0593","0.0418","","","0.0983","0.1102","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515996","24.242","0.009","24.242","0.009","24.242","0.009","90","","90","","90","","14246","9","350","","350","","","","","","","","","3","F 41 3 2","F 4d 2 3","210","","","","- C66 H72 N12 -","- C66 H72 N12 -","- C528 H576 N96 -","8","0.0833333","","Pyzer-Knapp, Edward O.; Thompson, Hugh P. G.; Schiffmann, Florian; Jelfs, Kim E.; Chong, Samantha Y.; Little, Marc A.; Cooper, Andrew I.; Day, Graeme M.","Predicted crystal energy landscapes of porous organic cages","Chemical Science","2014","5","6","2235","","10.1039/c4sc00095a","","x-ray","0.71073","MoKα","","0.127","0.1146","","","0.2692","0.2904","","","","","","1.338","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516020","15.2751","0.0003","8.0457","0.0002","15.9079","0.0003","90","","116.395","0.001","90","","1751.25","0.07","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H60 O12 -","- C36 H60 O12 -","- C72 H120 O24 -","2","1","","Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang","Dammarane-Type Triterpenoids from Gentianella azurea.","Journal of natural products","2014","77","5","1201","","10.1021/np500077z","","","1.54178","CuKα","","0.0472","0.0468","","","0.1362","0.1368","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516021","7.3172","0.0001","23.8986","0.0003","40.6627","0.0005","90","","90","","90","","7110.72","0.16","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36.5 H63 O12 -","- C36.5 H63 O12 -","- C292 H504 O96 -","8","2","","Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang","Dammarane-Type Triterpenoids from Gentianella azurea.","Journal of natural products","2014","77","5","1201","","10.1021/np500077z","","","1.54178","CuKα","","0.0382","0.0344","","","0.086","0.089","","","","","","1.052","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516022","7.1558","0.0003","12.8203","0.0004","21.033","0.0007","85.657","0.002","88.636","0.002","77.863","0.002","1880.95","0.12","140","2","140","2","","","","","","","","3","P 1","P 1","1","","","","- C36.5 H68 O15.5 -","- C36.5 H62 O15.5 -","- C73 H124 O31 -","2","2","","Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang","Dammarane-Type Triterpenoids from Gentianella azurea.","Journal of natural products","2014","77","5","1201","","10.1021/np500077z","","","1.54178","CuKα","","0.0479","0.0477","","","0.1226","0.123","","","","","","1.045","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1516023","11.2093","0.0003","38.8302","0.0009","7.2838","0.0002","90","","90","","90","","3170.34","0.14","140","2","140","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C32 H60 O10 -","- C32 H50 O10 -","- C128 H200 O40 -","4","1","","Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang","Dammarane-Type Triterpenoids from Gentianella azurea.","Journal of natural products","2014","77","5","1201","","10.1021/np500077z","","","1.54178","CuKα","","0.0844","0.0822","","","0.2311","0.2343","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516024","15.2138","0.0003","8.0132","0.0002","16.3249","0.0003","90","","116.964","0.001","90","","1773.84","0.07","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H58 O10 -","- C36 H58 O10 -","- C72 H116 O20 -","2","1","","Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang","Dammarane-Type Triterpenoids from Gentianella azurea.","Journal of natural products","2014","77","5","1201","","10.1021/np500077z","","","1.54178","CuKα","","0.037","0.0364","","","0.1031","0.1038","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516025","12.421","0.0006","14.0537","0.0005","17.9628","0.0006","66.48","0.02","79.82","0.03","80.77","0.02","2815.8","0.5","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H54 B2 Cl3 F4 N6 -","- C63 H54 B2 Cl3 F4 N6 -","- C126 H108 B4 Cl6 F8 N12 -","2","1","","Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis of Diazo-Bridged BODIPY Dimer and Tetramer by Oxidative Coupling of β-Amino-Substituted BODIPYs.","Organic letters","2014","16","11","3004","3007","10.1021/ol501131j","","","0.71075","MoKα","","0.1162","0.0812","","","0.2219","0.2603","","","","","","1.079","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516026","14.493","0.0003","10.329","0.0008","15.392","0.0003","90","","109.523","0.002","90","","2171.68","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N2 P2 -","- C25 H24 N2 P2 -","- C100 H96 N8 P8 -","4","1","","Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation","Catalysis Science & Technology","2014","4","8","2574","","10.1039/c4cy00457d","","","0.71073","Synchrotron","","0.0383","0.0366","","","0.0947","0.096","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516027","10.216","0.0007","10.318","0.0003","14.379","0.0006","79.664","0.002","76.635","0.002","71.842","0.005","1391.7","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 N2 P2 -","- C32 H38 N2 P2 -","- C64 H76 N4 P4 -","2","1","","Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation","Catalysis Science & Technology","2014","4","8","2574","","10.1039/c4cy00457d","","","0.71085","Synchrotron","","0.0415","0.039","","","0.105","0.1072","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516028","8.608","0.0007","22.505","0.0008","13.765","0.0008","90","","106.913","0.002","90","","2551.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 N O P2 -","- C30 H31 N O P2 -","- C120 H124 N4 O4 P8 -","4","1","","Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation","Catalysis Science & Technology","2014","4","8","2574","","10.1039/c4cy00457d","","","0.7109","Synchrotron","","0.0481","0.0475","","","0.1063","0.1066","","","","","","1.123","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516029","11.53","0.0008","15.337","0.0007","20.85","0.0017","90","","103.737","0.003","90","","3581.6","0.4","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33.5 H34 Cl5 N O P2 Si Ti -","- C33.5 H34 Cl5 N O P2 Si Ti -","- C134 H136 Cl20 N4 O4 P8 Si4 Ti4 -","4","2","","Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation","Catalysis Science & Technology","2014","4","8","2574","","10.1039/c4cy00457d","","","0.7108","Synchrotron","","0.0568","0.045","","","0.1102","0.1448","","","","","","1.143","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516030","8.701","0.002","10.666","0.001","13.938","0.0013","70.248","0.001","84.203","0.003","81.578","0.003","1202.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 N O P2 -","- C30 H25 N O P2 -","- C60 H50 N2 O2 P4 -","2","1","","Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation","Catalysis Science & Technology","2014","4","8","2574","","10.1039/c4cy00457d","","","0.7108","Synchrotron","","0.0464","0.0435","","","0.1118","0.1145","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516031","18.61","0.005","17.503","0.005","46.898","0.005","90","0.005","98.136","0.005","90","0.005","15122","6","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H31 Br3 Cu N3 O P -","- C40 H31 Br3 Cu N3 O P -","- C640 H496 Br48 Cu16 N48 O16 P16 -","16","2","","Zhou, Wen; Wang, Xiaoyong; Hu, Ming; Zhu, Chengcheng; Guo, Zijian","A mitochondrion-targeting copper complex exhibits potent cytotoxicity against cisplatin-resistant tumor cells through multiple mechanisms of action","Chemical Science","2014","5","7","2761","","10.1039/c4sc00384e","","","0.71069","MoKα","","0.1592","0.0849","","","0.2343","0.2537","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516032","10.6097","0.0011","10.6097","0.0011","32.495","0.007","90","","90","","90","","3657.8","1","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","AN2TPAN","2,2'-((phenylazanediyl)bis(4,1-phenylene))bis(3,3-diphenylacrylonitrile)","","- C48 H33 N3 -","- C48 H33 N3 -","- C192 H132 N12 -","4","0.5","","Gong, Yongyang; Zhang, Yiren; Yuan, Wang Zhang; Sun, Jing Zhi; Zhang, Yongming","D‒A Solid Emitter with Crowded and Remarkably Twisted Conformations Exhibiting Multifunctionality and Multicolor Mechanochromism","The Journal of Physical Chemistry C","2014","118","20","10998","","10.1021/jp500556p","","","0.71073","MoKα","","0.0903","0.0414","","","0.0842","0.1023","","","","","","1.01","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1516033","6.0714","0.0008","17.224","0.002","19.62","0.003","90","","97.108","0.007","90","","2036","0.5","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","2","","Kanomata, Kyohei; Toda, Yasunori; Shibata, Yukihiro; Yamanaka, Masahiro; Tsuzuki, Seiji; Gridnev, Ilya D.; Terada, Masahiro","Secondary stereocontrolling interactions in chiral Brønsted acid catalysis: study of a Petasis‒Ferrier-type rearrangement catalyzed by chiral phosphoric acids","Chemical Science","2014","5","9","3515","","10.1039/C4SC00611A","","","0.71075","MoKα","","","0.0534","","","","0.1437","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516034","11.615","0.004","8.416","0.003","15.096","0.005","90","","109.245","0.008","90","","1393.2","0.8","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H31 Cl2 N O6 S -","- C29 H31 Cl2 N O6 S -","- C58 H62 Cl4 N2 O12 S2 -","2","1","","Kanomata, Kyohei; Toda, Yasunori; Shibata, Yukihiro; Yamanaka, Masahiro; Tsuzuki, Seiji; Gridnev, Ilya D.; Terada, Masahiro","Secondary stereocontrolling interactions in chiral Brønsted acid catalysis: study of a Petasis‒Ferrier-type rearrangement catalyzed by chiral phosphoric acids","Chemical Science","2014","5","9","3515","","10.1039/C4SC00611A","","","0.71075","MoKα","","","0.0502","","","","0.124","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516035","15.9929","0.0008","21.5942","0.0012","21.8042","0.0011","66.888","0.003","74.051","0.003","73.462","0.003","6524.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Au24(SR)20","","","- C220 H300 Au24 S20 -","- C220 H300 Au24 S20 -","- C220 H300 Au24 S20 -","1","0.5","","Das, Anindita; Li, Tao; Li, Gao; Nobusada, Katsuyuki; Zeng, Chenjie; Rosi, Nathaniel L.; Jin, Rongchao","Crystal structure and electronic properties of a thiolate-protected Au24 nanocluster.","Nanoscale","2014","6","12","6458","6462","10.1039/c4nr01350f","","","1.54178","CuKα","","0.0916","0.0545","","","0.1578","0.1944","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516043","10.9871","0.0005","15.0321","0.0006","19.4495","0.0009","67.41","0.004","87.04","0.004","85.923","0.004","2957.3","0.2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H64.5 F12 N5.5 O10 P2 -","- C50 H60 F12 N4 O10 P2 -","- C100 H120 F24 N8 O20 P4 -","2","1","","Xing, Hao; Wei, Peifa; Yan, Xuzhou","Supramolecular Side-Chain Poly[2]pseudorotaxanes Formed by Orthogonal Coordination-Driven Self-Assembly and Crown-Ether-Based Host-Guest Interactions.","Organic letters","2014","16","11","2850","2853","10.1021/ol500983k","","","0.71073","MoKα","","0.1081","0.0839","","","0.2402","0.2627","","","","","","1.114","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516044","14.274","0.002","16.988","0.002","21.032","0.0017","67.91","0.011","80.65","0.02","86.6","0.02","4662.8","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C117 H122 N4 O2 Zn -","- C117 H122 N4 O2 Zn -","- C234 H244 N8 O4 Zn2 -","2","1","","Ota, Kensuke; Tanaka, Takayuki; Osuka, Atsuhiro","meso-β Dibenzo[a,g]corannulene-Fused Porphyrins.","Organic letters","2014","16","11","2974","2977","10.1021/ol501115m","","","1.54187","CuKα","","0.068","0.0625","","","0.18","0.1908","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516045","9.353","0.004","21.838","0.013","38.554","0.018","103.231","0.016","90.09","0.02","102.288","0.005","7480","7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C96.89 H88.31 N4 O1.72 Zn -","- C96.888 H88.308 N4 O1.722 Zn -","- C387.552 H353.232 N16 O6.888 Zn4 -","4","2","","Ota, Kensuke; Tanaka, Takayuki; Osuka, Atsuhiro","meso-β Dibenzo[a,g]corannulene-Fused Porphyrins.","Organic letters","2014","16","11","2974","2977","10.1021/ol501115m","","","1.54187","CuKα","","0.1097","0.0917","","","0.2541","0.2771","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516046","9.7687","0.0011","15.6035","0.0015","26.497","0.002","75.421","0.009","83.382","0.012","87.1181","0.001","3881.8","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H98 N4 O2 Zn -","- C96 H98 N4 O2 Zn -","- C192 H196 N8 O4 Zn2 -","2","1","","Ota, Kensuke; Tanaka, Takayuki; Osuka, Atsuhiro","meso-β Dibenzo[a,g]corannulene-Fused Porphyrins.","Organic letters","2014","16","11","2974","2977","10.1021/ol501115m","","","1.54187","CuKα","","0.0597","0.0561","","","0.1464","0.15","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516047","9.661","0.003","9.9907","0.0014","10.7602","0.0015","63.28","0.02","80.45","0.02","70.81","0.02","875.9","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","3‒Benzoyl‒2,4‒diphenyl‒4,5‒dihydrofuran","","- C23 H18 O2 -","- C23 H18 O2 -","- C46 H36 O4 -","2","1","","Chagarovsky, Alexey O.; Budynina, Ekaterina M.; Ivanova, Olga A.; Villemson, Elena V.; Rybakov, Victor B.; Trushkov, Igor V.; Melnikov, Mikhail Ya","Reaction of Corey Ylide with α,β-Unsaturated Ketones: Tuning of Chemoselectivity toward Dihydrofuran Synthesis.","Organic letters","2014","16","11","2830","2833","10.1021/ol500877c","","x-ray","1.54184","CuKα","","0.0505","0.0476","","","0.1275","0.1304","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516048","10.0605","0.0005","10.1253","0.0007","19.2983","0.0011","90","","91.597","0.004","90","","1965.1","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-(1-benzyl-1H-indol-3-yl)-2-methyl-4,5-dihydrofuran-3-carboxylate","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Chagarovsky, Alexey O.; Budynina, Ekaterina M.; Ivanova, Olga A.; Villemson, Elena V.; Rybakov, Victor B.; Trushkov, Igor V.; Melnikov, Mikhail Ya","Reaction of Corey Ylide with α,β-Unsaturated Ketones: Tuning of Chemoselectivity toward Dihydrofuran Synthesis.","Organic letters","2014","16","11","2830","2833","10.1021/ol500877c","","","0.71073","MoKα","","0.1413","0.0727","","","0.1793","0.2695","","","","","","0.897","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516049","9.073","0.004","11.096","0.004","19.557","0.007","90","","94.205","0.006","90","","1963.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F N2 O -","- C21 H22 F N2 O -","- C84 H88 F4 N8 O4 -","4","1","","Thirupathi, Nuligonda; Hari Babu, Madala; Dwivedi, Vikas; Kant, Ruchir; Sridhar Reddy, Maddi","Palladium-Catalyzed Tandem Intramolecular Oxy/Amino-Palladation/Isocyanide Insertion: Synthesis of α-Benzofuranyl/Indolylacetamides.","Organic letters","2014","16","11","2908","2911","10.1021/ol501048x","","","0.71075","MoKα","","0.0672","0.0551","","","","0.1474","","","","","","1.086","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516050","10.5434","0.0006","11.509","0.0006","19.6411","0.001","90","","90","","90","","2383.3","0.2","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N2 O2 -","- C26 H36 N2 O2 -","- C104 H144 N8 O8 -","4","1","","Seo, Min-Seob; Lee, Ansoo; Kim, Hyunwoo","2,2'-dihydroxybenzil: a stereodynamic probe for primary amines controlled by steric strain.","Organic letters","2014","16","11","2950","2953","10.1021/ol501088v","","","1.54178","CuKα","","0.0239","0.0238","","","0.0624","0.0625","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516106","14.0539","0.001","11.358","0.0008","13.4342","0.001","90","","101.523","0.007","90","","2101.2","0.3","294.1","0.4","294.1","0.4","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N O -","- C13 H15 N O -","- C104 H120 N8 O8 -","8","1","","Li, Xiao-Jing; Qiao, Jin-Bao; Sun, Jian; Li, Xue-Qiang; Gu, Peiming","Intramolecular Schmidt Reaction of Acyl Chlorides with Alkyl Azides: Capture of N-Acyliminium Ion Intermediates with Aromatic rings.","Organic letters","2014","16","11","2865","2867","10.1021/ol501058a","","","0.71073","MoKα","","0.0589","0.0483","","","0.118","0.127","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516107","11.8101","0.0017","12.7217","0.0017","16.841","0.002","72.829","0.006","75.377","0.007","75.493","0.006","2296.4","0.5","200","2","200","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H33 N O5 S Si -","- C19 H33 N O5 S Si -","- C76 H132 N4 O20 S4 Si4 -","4","2","","Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M.","Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes","Chemical Science","2014","5","8","3046","","10.1039/c4sc01214c","","x-ray","0.71073","MoKα","","0.0433","0.0367","","","0.0956","0.1006","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516108","7.248","0.003","12.231","0.004","12.439","0.004","87.85","0.013","81.98","0.007","89.975","0.011","1091.2","0.7","200","1","200","1","","","","","","","Schomaker Lab CSA5062","6","P -1","-P 1","2","not specified","5-((tert-butyldimethylsilyl)oxy)-6-phenethyl-tetrahydrooxazolo[3,4-c][1,2,3]oxathiazepin-8(3H)-one 1,1-dioxide","","- C20 H31 N O6 S Si -","- C20 H31 N O6 S Si -","- C40 H62 N2 O12 S2 Si2 -","2","1","","Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M.","Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes","Chemical Science","2014","5","8","3046","","10.1039/c4sc01214c","","x-ray","0.71073","MoKα","","0.0424","0.0341","","","0.083","0.0879","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516109","6.9812","0.0005","22.209","0.002","14.9476","0.0008","90","","96.282","0.004","90","","2303.6","0.3","100","1.5","100","1.5","","","","","","","Schomaker Lab No. CSA5060","6","P 1 21/n 1","-P 2yn","14","5-((tert-butyldimethylsilyl)oxy)-6-phenethyl-tetrahydrooxazolo[3,4-c][1,2,3]oxathiazepin-8(3H)-one 1,1-dioxide","","","- C20 H31 N O6 S Si -","- C20 H31 N O6 S Si -","- C80 H124 N4 O24 S4 Si4 -","4","1","","Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M.","Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes","Chemical Science","2014","5","8","3046","","10.1039/c4sc01214c","","","0.71073","4","","0.0298","0.0287","","","","0.0739","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516111","11.0188","0.0004","13.6909","0.0005","15.087","0.0006","64.169","0.002","68.942","0.002","75.522","0.002","1899.9","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H48 N2 O Zr -","- C46 H48 N2 O Zr -","- C92 H96 N4 O2 Zr2 -","2","1","","Klet, Rachel C.; Theriault, Curt N.; Klosin, Jerzy; Labinger, Jay A.; Bercaw, John E.","Investigations into Asymmetric Post-Metallocene Group 4 Complexes for the Synthesis of Highly Regioirregular Polypropylene","Macromolecules","2014","47","10","3317","","10.1021/ma500453t","","","0.71073","MoKα","","0.0634","0.0379","","","0.0764","0.0823","","","","","","1.245","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516112","10.387","0.002","15.918","0.004","21.74","0.005","76.406","0.005","79.036","0.005","87.948","0.005","3429.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.83 H46.32 Cl2.34 N2 O Ti -","- C36.828 H46.32 Cl2.336 N2 O Ti -","- C147.312 H185.28 Cl9.344 N8 O4 Ti4 -","4","2","","Klet, Rachel C.; Theriault, Curt N.; Klosin, Jerzy; Labinger, Jay A.; Bercaw, John E.","Investigations into Asymmetric Post-Metallocene Group 4 Complexes for the Synthesis of Highly Regioirregular Polypropylene","Macromolecules","2014","47","10","3317","","10.1021/ma500453t","","","0.71073","MoKα","","0.0559","0.0387","","","0.095","0.1045","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516113","11.272","0.002","5.8049","0.001","16.158","0.003","90","","108.477","0.003","90","","1002.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 F N O2 -","- C11 H12 F N O2 -","- C44 H48 F4 N4 O8 -","4","1","","Lu, Deng-Fu; Liu, Guan-Sai; Zhu, Cheng-Liang; Yuan, Bo; Xu, Hao","Iron(II)-Catalyzed Intramolecular Olefin Aminofluorination.","Organic letters","2014","16","11","2912","2915","10.1021/ol501051p","","","0.71073","MoKα","","0.0655","0.0496","","","0.1268","0.1401","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516114","10.128","0.005","10.497","0.005","20.664","0.005","85.27","0.005","77.477","0.005","78.869","0.005","2102.4","1.5","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H23 N O8 -","- C72 H23 N O8 -","- C144 H46 N2 O16 -","2","1","","Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Synthesis of open-cage ketolactam derivatives of fullerene c60 encapsulating a hydrogen molecule.","Organic letters","2014","16","11","2970","2973","10.1021/ol501113y","","","0.70926","MoKα","","0.1883","0.1784","","","0.421","0.4281","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516115","8.5089","0.0002","9.1505","0.0002","12.5241","0.0002","90","","96.049","0.002","90","","969.71","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(15S,16R,21S)-(-)-andransinine","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok","Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative.","Journal of natural products","2014","77","6","1532","1535","10.1021/np500289t","","","1.54184","CuKα","","0.031","0.0301","","","0.0787","0.0801","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516116","8.6828","0.0002","21.4082","0.0004","11.2277","0.0002","90","","90","","90","","2087.04","0.07","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","(±)-andransinine","","","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","- C96 H128 N8 O16 -","4","1","","Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok","Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative.","Journal of natural products","2014","77","6","1532","1535","10.1021/np500289t","","","0.71073","MoKα","","0.0372","0.0352","","","0.0908","0.0923","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516117","8.4914","0.001","9.1548","0.0011","12.4788","0.0015","90","","95.838","0.003","90","","965","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(Plus,minus)-andransinine (racemic conglomerate)","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok","Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative.","Journal of natural products","2014","77","6","1532","1535","10.1021/np500289t","","","0.71073","MoKα","","0.0413","0.0373","","","0.0902","0.0932","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516118","39.082","0.004","8.588","0.0011","24.128","0.003","90","","105.802","0.007","90","","7792.2","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(±)-andransinine","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C368 H448 N32 O48 -","16","2","","Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok","Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative.","Journal of natural products","2014","77","6","1532","1535","10.1021/np500289t","","","0.71073","MoKα","","0.1933","0.0573","","","0.0949","0.1292","","","","","","0.766","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1516119","8.5096","0.0001","9.1538","0.0001","12.5333","0.0001","90","","96.03","0.001","90","","970.882","0.017","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(15R,16S,21R)-(+)-andransinine","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C46 H56 N4 O6 -","2","1","","Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok","Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative.","Journal of natural products","2014","77","6","1532","1535","10.1021/np500289t","","","1.54184","CuKα","","0.0349","0.0347","","","0.0908","0.0911","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516120","4.97456","0.00029","7.9607","0.0004","10.2456","0.0005","90","","115.166","0.0022","90","","367.22","0.03","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B H6 N2 Na -","- B H6 N2 Na -","- B4 H24 N8 Na4 -","4","1","","Chua, Yong Shen; Pei, Qijun; Ju, Xiaohua; Zhou, Wei; Udovic, Terrence J.; Wu, Guotao; Xiong, Zhitao; Chen, Ping; Wu, Hui","Alkali Metal Hydride Modification on Hydrazine Borane for Improved Dehydrogenation","The Journal of Physical Chemistry C","2014","118","21","11244","","10.1021/jp502144u","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.16034","","4.59","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516121","5.502","0.004","21.052","0.015","21.138","0.015","88.513","0.011","82.982","0.012","85.62","0.012","2423","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","4","","Wu, Xia; Gao, Qinghe; Liu, Shan; Wu, Anxin","I2-Catalyzed Oxidative Cross-Coupling of Methyl Ketones and Benzamidines Hydrochloride: A Facile Access to α-Ketoimides.","Organic letters","2014","16","11","2888","2891","10.1021/ol501029w","","","0.71073","MoKα","","0.1953","0.1586","","","0.4124","0.4504","","","","","","1.623","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516122","12.469","0.004","14.085","0.004","14.436","0.004","114.938","0.004","101.497","0.005","98.755","0.005","2171.7","1.1","273","2","273","2","","","","","","","","3","P -1","-P 1","2","compound 4b","","","- C58 H36 O4 -","- C58 H36 O4 -","- C116 H72 O8 -","2","1","","Wackerly, Jay Wm; Zhang, Mengfei; Nodder, Stephen T.; Carlin, Stephen M.; Katz, Jeffrey L.","Single Step Synthesis of Acetylene-Substituted Oxacalix[4]arenes.","Organic letters","2014","16","11","2920","2922","10.1021/ol5010627","","","0.71073","MoKα","","0.11","0.0528","","","0.136","0.179","","","","","","0.769","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516123","6.186","0.0005","9.6029","0.0009","16.4251","0.0011","77.495","0.006","80.955","0.006","87.557","0.007","940.68","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 F3 N O2 -","- C21 H20 F3 N O2 -","- C42 H40 F6 N2 O4 -","2","1","","Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing","Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one","Catalysis Science & Technology","2014","4","6","1570","","10.1039/c3cy00858d","","","0.71073","MoKα","","0.1723","0.0993","","","0.2961","0.3474","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516124","7.7051","0.0004","10.8189","0.0005","11.1726","0.0005","75.918","0.003","86.59","0.003","87.802","0.003","901.49","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C42 H46 N2 O4 -","2","1","","Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing","Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one","Catalysis Science & Technology","2014","4","6","1570","","10.1039/c3cy00858d","","","0.71073","MoKα","","0.0573","0.0469","","","0.1415","0.1522","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516125","21.5392","0.0008","14.9764","0.0006","11.0367","0.0004","90","","102.006","0.001","90","","3482.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 N5 O8 S2 Zn -","- C31 H39 N5 O8 S2 Zn -","- C124 H156 N20 O32 S8 Zn4 -","4","1","","Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W.","Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates","Catalysis Science & Technology","2014","4","6","1615","","10.1039/c3cy01043k","","","0.71073","MoKα","","0.0669","0.041","","","0.1014","0.1171","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516126","20.7881","0.0008","19.8405","0.0008","7.4304","0.0003","90","","97.665","0.001","90","","3037.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 I N3 O4 Zn -","- C30 H40 I N3 O4 Zn -","- C120 H160 I4 N12 O16 Zn4 -","4","1","","Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W.","Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates","Catalysis Science & Technology","2014","4","6","1615","","10.1039/c3cy01043k","","","0.71073","MoKα","","0.0458","0.0313","","","0.08","0.0914","","","","","","1.159","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516127","11.5808","0.0007","12.8843","0.0008","18.9944","0.0011","78.363","0.002","87.683","0.002","87.378","0.002","2771.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H64 Cl6 N6 O7 Zn -","- C46 H64 Cl6 N6 O7 Zn -","- C92 H128 Cl12 N12 O14 Zn2 -","2","1","","Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W.","Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates","Catalysis Science & Technology","2014","4","6","1615","","10.1039/c3cy01043k","","","0.71073","MoKα","","0.0839","0.0572","","","0.1473","0.1674","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516128","18.945","0.009","18.945","0.009","25.39","0.013","90","","90","","120","","7892","7","123","2","123","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C92 H126 Cl3 Cr2 Li N2 O5 -","- C78 H108 Cl3 Cr2 Li N2 O5 -","- C234 H324 Cl9 Cr6 Li3 N6 O15 -","3","0.5","","Chen, Hua; Dawe, Louise N.; Kozak, Christopher M.","Chromium(iii) amine-bis(phenolate) complexes as catalysts for copolymerization of cyclohexene oxide and CO2","Catalysis Science & Technology","2014","4","6","1547","","10.1039/c3cy01002c","","","0.71075","MoKα","","0.1351","0.1211","","","0.3154","0.3327","","","","","","1.187","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516129","17.511","0.003","10.814","0.002","23.711","0.008","90","","130.536","0.018","90","","3412.4","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 N2 O6 S2 -","- C37 H34 N2 O6 S2 -","- C148 H136 N8 O24 S8 -","4","1","","Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K.","Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals.","Organic letters","2014","16","11","2996","2999","10.1021/ol501125r","","","0.71073","MoKα","","0.0882","0.0552","","","0.1301","0.1469","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516130","15.0516","0.0015","28.646","0.003","18.0316","0.0018","90","","90","","90","","7774.7","1.4","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C39 H32 N4 O6 S2 -","- C39 H32 N4 O6 S2 -","- C312 H256 N32 O48 S16 -","8","","","Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K.","Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals.","Organic letters","2014","16","11","2996","2999","10.1021/ol501125r","","","0.71073","MoKα","","0.1591","0.0803","","","0.1998","0.2453","","","","","","0.967","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1516131","8.7849","0.0011","12.6893","0.0016","16.278","0.002","85.618","0.01","79.626","0.011","82.116","0.011","1765.6","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 N2 O8 S2 -","- C39 H38 N2 O8 S2 -","- C78 H76 N4 O16 S4 -","2","1","","Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K.","Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals.","Organic letters","2014","16","11","2996","2999","10.1021/ol501125r","","","0.71073","MoKα","","0.2709","0.0736","","","0.0822","0.1458","","","","","","0.841","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516132","11.406","0.002","14.522","0.003","20.97","0.004","90","","104.457","0.003","90","","3363.4","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Br N2 O0.5 S -","- C19 H14 Br N2 O0.5 S -","- C152 H112 Br8 N16 O4 S8 -","8","1","","Ravi, Chitrakar; Chandra Mohan, Darapaneni; Adimurthy, Subbarayappa","N-chlorosuccinimide-promoted regioselective sulfenylation of imidazoheterocycles at room temperature.","Organic letters","2014","16","11","2978","2981","10.1021/ol501117z","","","0.71073","MoKα","","0.0481","0.0369","","","0.0952","0.1016","","","","","","1.057","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516133","7.4442","0.0003","27.2175","0.001","19.194","0.0007","90","","90","","90","","3888.9","0.3","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H4 Br4 Cl4 -","- C20 H4 Br4 Cl4 -","- C160 H32 Br32 Cl32 -","8","2","","Zagranyarski, Yulian; Chen, Long; Jänsch, Daniel; Gessner, Thomas; Li, Chen; Müllen, Klaus","Toward perylene dyes by the hundsdiecker reaction.","Organic letters","2014","16","11","2814","2817","10.1021/ol5008586","","","0.71073","MoKα","","0.0859","0.0545","","","0.1238","0.1437","","","","","","0.959","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1516134","9.154","0.003","16.606","0.005","13.184","0.004","90","","91.919","0.004","90","","2003","1.1","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 N O2 S Si -","- C19 H27 N O2 S Si -","- C76 H108 N4 O8 S4 Si4 -","4","2","","Mita, Tsuyoshi; Sugawara, Masumi; Saito, Keisuke; Sato, Yoshihiro","Catalytic Enantioselective Silylation of N-Sulfonylimines: Asymmetric Synthesis of α-Amino Acids from CO2 via Stereospecific Carboxylation of α-Amino Silanes.","Organic letters","2014","16","11","3028","3031","10.1021/ol501143c","","","0.71075","MoKα","","","0.026","","","","0.0661","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516135","11.1188","0.0003","10.5531","0.0003","15.6491","0.0005","90","","110.738","0.008","90","","1717.26","0.13","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H25 N O2 S Sn -","- C14 H25 N O2 S Sn -","- C56 H100 N4 O8 S4 Sn4 -","4","2","","Mita, Tsuyoshi; Sugawara, Masumi; Saito, Keisuke; Sato, Yoshihiro","Catalytic Enantioselective Silylation of N-Sulfonylimines: Asymmetric Synthesis of α-Amino Acids from CO2 via Stereospecific Carboxylation of α-Amino Silanes.","Organic letters","2014","16","11","3028","3031","10.1021/ol501143c","","","0.71075","MoKα","","","0.017","","","","0.0434","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516136","29.9133","0.0015","18.7802","0.0009","19.2461","0.001","90","","114.861","0.001","90","","9810.1","0.9","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C78 H64 Cl2 O2 P4 Rh2 -","- C78 H66 Cl2 O2 P4 Rh2 -","- C312 H264 Cl8 O8 P16 Rh8 -","4","0.5","","Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Rhodium diphosphine complexes: a case study for catalyst activation and deactivation","Catal. Sci. Technol.","2014","4","10","3409","","10.1039/C4CY00497C","","","0.71073","MoKα","","0.0417","0.0307","","","0.0708","0.0735","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516137","10.1367","0.0013","10.1518","0.0013","21.075","0.003","93.865","0.005","102.017","0.005","108.917","0.005","1985.2","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H47 Cl O2 P2 Rh -","- C49.2 H46.4 Cl O1.8 P2 Rh -","- C98.4 H92.8 Cl2 O3.6 P4 Rh2 -","2","1","","Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Rhodium diphosphine complexes: a case study for catalyst activation and deactivation","Catal. Sci. Technol.","2014","4","10","3409","","10.1039/C4CY00497C","","","1.54178","CuKα","","0.0291","0.0285","","","0.0701","0.0704","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516138","8.92686","0.00006","16.30625","0.00008","16.1629","0.00009","90","","99.0197","0.0005","90","","2323.64","0.02","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Cl F3 Ir N4 O3 S -","- C20 H25 Cl F3 Ir N4 O3 S -","- C80 H100 Cl4 F12 Ir4 N16 O12 S4 -","4","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","1.54184","CuKα","","0.017","0.0166","","","0.0421","0.0424","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516139","8.6499","0.0001","30.9257","0.0003","11.9013","0.0002","90","","95.343","0.001","90","","3169.82","0.07","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C26 H32 Cl F6 Ir N4 O0.5 P -","- C26 H32 Cl F6 Ir N4 O0.5 P -","- C104 H128 Cl4 F24 Ir4 N16 O2 P4 -","4","2","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.042","0.035","","","0.0888","0.0902","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516140","16.815","0.0002","17.575","0.0002","28.6833","0.0004","90","","90","","90","","8476.59","0.18","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H47.38 B Cl Ir N4 O0.19 -","- C48 H47.384 B Cl Ir N4 O0.192 -","- C384 H379.072 B8 Cl8 Ir8 N32 O1.536 -","8","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0342","0.0217","","","0.0508","0.0526","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516141","8.1397","0.0003","12.0802","0.0004","12.1711","0.0004","93.308","0.002","98.055","0.003","96.258","0.003","1174.66","0.07","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H25 Cl F3 Ir N4 O3 S -","- C20 H25 Cl F3 Ir N4 O3 S -","- C40 H50 Cl2 F6 Ir2 N8 O6 S2 -","2","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0217","0.0206","","","0.0488","0.0494","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516142","9.9198","0.0002","12.2357","0.0003","14.1911","0.0003","88.964","0.002","72.328","0.002","67.558","0.002","1507.5","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H30 F6 Ir N5 O6 S2 -","- C24 H30 F6 Ir N5 O6 S2 -","- C48 H60 F12 Ir2 N10 O12 S4 -","2","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.02","0.0172","","","0.0364","0.0374","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516143","24.2752","0.0003","11.5628","0.0001","27.0877","0.0004","90","","101.757","0.002","90","","7443.72","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 F6 Ir N5 O7 S2 -","- C32 H38 F6 Ir N5 O7 S2 -","- C256 H304 F48 Ir8 N40 O56 S16 -","8","2","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0444","0.0353","","","0.0841","0.0895","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516144","15.4068","0.0002","12.8634","0.0001","17.5263","0.0002","90","","103.099","0.001","90","","3383.05","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 F6 Ir N5 O6 S2 -","- C28 H30 F6 Ir N5 O6 S2 -","- C112 H120 F24 Ir4 N20 O24 S8 -","4","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0357","0.0252","","","0.0492","0.0532","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516145","12.3897","0.0003","16.3148","0.0003","14.676","0.0004","90","","114.395","0.003","90","","2701.69","0.13","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Cl F3 Ir N4 O3 S -","- C25 H27 Cl F3 Ir N4 O3 S -","- C100 H108 Cl4 F12 Ir4 N16 O12 S4 -","4","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0268","0.021","","","0.0382","0.0403","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516146","17.0427","0.0007","12.0904","0.0005","18.0154","0.0008","90","","108.807","0.005","90","","3513.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 F6 Ir N8 O6 S2 -","- C30 H35 F6 Ir N8 O6 S2 -","- C120 H140 F24 Ir4 N32 O24 S8 -","4","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0507","0.0362","","","0.0732","0.0798","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516147","17.8119","0.0015","17.8119","0.0015","6.2589","0.0005","90","","90","","120","","1719.7","0.2","99.99","","100","0.2","","","","","","","","4","P 32","P 32","145","","((1S,2R,4S)-2-bromo-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol","","- C7 H9 Br O2 -","- C7 H9 Br O2 -","- C63 H81 Br9 O18 -","9","3","","Zipfel, Hannes F.; Carreira, Erick M.","An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines.","Organic letters","2014","16","11","2854","2857","10.1021/ol500990f","","x-ray","0.71073","MoKα","K-L~3~","0.0255","0.0235","","","0.0456","0.0467","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516148","11.639","0.0007","5.5765","0.0003","15.5447","0.001","90","","106.278","0.003","90","","968.48","0.1","100","","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3S)-ethyl 3-(1H-indol-3-yl)-2-(4-methylphenylsulfonamido)butanoate","","- C21 H24 N2 O4 S -","- C21 H24 N2 O4 S -","- C42 H48 N4 O8 S2 -","2","1","","Zipfel, Hannes F.; Carreira, Erick M.","An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines.","Organic letters","2014","16","11","2854","2857","10.1021/ol500990f","","x-ray","0.71073","MoKα","","0.0465","0.0341","","","0.0678","0.072","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516149","43.265","0.002","15.0547","0.0007","10.2366","0.0004","90","","93.976","0.003","90","","6651.5","0.5","100","2","100","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","(2R,4aS,7aR,9R,11aS,14aR)-7a,14a-bis(benzyloxy)-2,9-dihydroxy-1,7a,8,9,11a,14a-hexahydropyrazino[1,2-a:4,5-a']diindole-6,13(2H,4aH)-dione","","- C32.5 H31 Cl N2 O6 -","- C32.5 H31 Cl N2 O6 -","- C260 H248 Cl8 N16 O48 -","8","2","","Zipfel, Hannes F.; Carreira, Erick M.","An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines.","Organic letters","2014","16","11","2854","2857","10.1021/ol500990f","","x-ray","1.54178","CuKα","K-L~3~","0.0869","0.0773","","","0.2051","0.2159","","","","","","1.023","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1516150","6.5465","0.0017","7.844","0.002","38.945","0.01","90","","90","","90","","1999.9","0.9","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O3 S -","- C23 H24 O3 S -","- C92 H96 O12 S4 -","4","1","","Ohmatsu, Kohsuke; Hara, Yoshiyuki; Ooi, Takashi","In situ generation of ion-paired chiral ligands: rapid identification of the optimal ligand for palladium-catalyzed asymmetric allylation","Chemical Science","2014","5","9","3645","","10.1039/C4SC01032A","","","0.71073","MoKα","","0.0559","0.0235","","","0.042","0.0426","","","","","","0.662","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516151","19.0981","0.0016","9.6221","0.0008","22.024","0.003","90","","109.389","0.001","90","","3817.7","0.7","144.5","0.2","144.5","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 Mg O4 -","- C46 H46 Mg O4 -","- C184 H184 Mg4 O16 -","4","0.5","","Wang, Yang; Liu, Bo; Wang, Xue; Zhao, Wei; Liu, Dongtao; Liu, Xinli; Cui, Dongmei","Immortal ring-opening polymerization of ε-caprolactone by a neat magnesium catalyst system: an approach to obtain block and amphiphilic star polymers in situ","Polymer Chemistry","2014","5","15","4580","","10.1039/c4py00384e","","","0.71073","MoKα","","0.0626","0.0437","","","0.1079","0.1192","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516152","7.952","0.002","12.184","0.004","14.721","0.004","90","","92.596","0.004","90","","1424.8","0.7","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 Br O3 -","- C16 H13 Br O3 -","- C64 H52 Br4 O12 -","4","2","","Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L.","Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates.","Organic letters","2014","16","11","3036","3039","10.1021/ol5011505","","","0.71073","MoKα","","0.0672","0.0471","","","0.1002","0.1092","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516153","12.06","0.002","12.066","0.002","14.641","0.003","90","","90","","90","","2130.5","0.7","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C88 H88 Br8 O24 -","8","2","","Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L.","Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates.","Organic letters","2014","16","11","3036","3039","10.1021/ol5011505","","","0.71073","MoKα","","0.0528","0.0424","","","0.0832","0.0875","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516154","6.2085","0.0015","5.3383","0.0012","15.239","0.004","90","","95.715","0.004","90","","502.6","0.2","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C20 H18 Br2 O6 -","2","1","","Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L.","Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates.","Organic letters","2014","16","11","3036","3039","10.1021/ol5011505","","","0.71073","MoKα","","0.0378","0.0341","","","0.0793","0.0813","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516155","7.361","0.0009","10.0951","0.0012","10.6561","0.0014","103.037","0.01","95.097","0.01","96.205","0.01","761.67","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 Al4 N2 O2 -","- C24 H46 Al4 N2 O2 -","- C24 H46 Al4 N2 O2 -","1","0.5","","Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl","Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide)","Catalysis Science & Technology","2014","4","9","3025","","10.1039/C4CY00624K","","","0.71073","MoKα","","0.078","0.0414","","","0.0932","0.1026","","","","","","0.859","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516156","8.751","0.0007","15.3173","0.0012","10.1026","0.0008","90","","90.1329","0.0013","90","","1354.17","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Al4 N2 O2 -","- C22 H38 Al4 N2 O2 -","- C44 H76 Al8 N4 O4 -","2","0.5","","Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl","Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide)","Catalysis Science & Technology","2014","4","9","3025","","10.1039/C4CY00624K","","","0.71073","MoKα","","0.0416","0.0329","","","0.0914","0.0969","","","","","","1.083","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1516157","7.1092","0.0004","21.245","0.0012","12.33","0.0007","90","","92.839","0.002","90","","1859.98","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H54 Al4 N2 O2 -","- C31 H54 Al4 N2 O2 -","- C62 H108 Al8 N4 O4 -","2","0.5","","Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl","Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide)","Catalysis Science & Technology","2014","4","9","3025","","10.1039/C4CY00624K","","","0.71073","MoKα","","0.0538","0.0386","","","0.097","0.1073","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516158","28.893","0.005","5.2362","0.001","17.648","0.003","90","","118.696","0.002","90","","2342","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 Br2 F8 N4 -","- C24 H10 Br2 F8 N4 -","- C96 H40 Br8 F32 N16 -","4","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.05","0.0284","","","0.0638","0.071","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516159","36.953","0.004","5.2778","0.0006","11.5441","0.0012","90","","90.529","0.001","90","","2251.4","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","cis-dibromooctafluoroazobenzene:azopyridine","","","- C22 H8 Br2 F8 N6 -","- C22 H8 Br2 F8 N6 -","- C88 H32 Br8 F32 N24 -","4","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0378","0.027","","","0.0651","0.07","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516160","29.154","0.005","5.2244","0.0009","18.283","0.003","90","","120.726","0.002","90","","2393.8","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F8 I2 N4 -","- C24 H10 F8 I2 N4 -","- C96 H40 F32 I8 N16 -","4","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0397","0.0263","","","0.0551","0.0602","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516161","28.722","0.004","5.1901","0.0007","18.22","0.003","90","","120.623","0.001","90","","2337.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H8 F8 I2 N6 -","- C22 H8 F8 I2 N6 -","- C88 H32 F32 I8 N24 -","4","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0266","0.0214","","","0.0476","0.0498","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516162","40.225","0.005","5.8436","0.0007","25.726","0.003","90","","123.647","0.001","90","","5034","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F8 I2 N4 -","- C24 H10 F8 I2 N4 -","- C192 H80 F64 I16 N32 -","8","1","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0389","0.0277","","","0.058","0.0656","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516163","6.0828","0.0011","8.3133","0.0015","12.157","0.002","70.137","0.002","84.722","0.002","79.999","0.002","569.04","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 Br2 F8 N4 -","- C24 H10 Br2 F8 N4 -","- C24 H10 Br2 F8 N4 -","1","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0286","0.0238","","","0.0561","0.0578","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516164","5.9081","0.0006","8.3193","0.0009","23.198","0.002","94.956","0.001","93.481","0.001","95.848","0.001","1127.25","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 Br2 F8 N6 -","- C22 H8 Br2 F8 N6 -","- C44 H16 Br4 F16 N12 -","2","1","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0672","0.0362","","","0.0615","0.0676","","","","","","0.78","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516165","5.8317","0.0006","8.5364","0.0009","23.47","0.003","95.753","0.001","96.748","0.001","95.828","0.001","1146.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 F8 I2 N4 -","- C24 H10 F8 I2 N4 -","- C48 H20 F16 I4 N8 -","2","1","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0478","0.0315","","","0.0698","0.0763","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516166","5.8475","0.0018","8.445","0.003","23.132","0.007","94.99","0.003","95.779","0.003","96.339","0.003","1124","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","trans-diiodooctafluoroazobenzene:azopyridine","","","- C22 H8 F8 I2 N6 -","- C22 H8 F8 I2 N6 -","- C44 H16 F16 I4 N12 -","2","1","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0371","0.0261","","","0.0534","0.0575","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516167","11.097","0.0009","8.2444","0.0007","26.821","0.002","90","","91.457","0.001","90","","2453","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F8 I2 N4 -","- C24 H10 F8 I2 N4 -","- C96 H40 F32 I8 N16 -","4","0.5","","Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav","Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation","Chemical Science","2014","5","8","3158","","10.1039/c4sc00987h","","","0.71073","MoKα","","0.0291","0.0224","","","0.0427","0.0446","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516169","12.2662","0.0017","6.8136","0.0009","7.0499","0.001","90","","105.816","0.001","90","","566.9","0.14","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H8 B2 F4 N4 -","- C10 H8 B2 F4 N4 -","- C20 H16 B4 F8 N8 -","2","0.25","","Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole.","Organic letters","2014","16","11","3048","3051","10.1021/ol501162f","","","0.71073","MoKα","","0.0441","0.0402","","","0.1019","0.1056","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516170","9.2147","0.0009","12.1024","0.0012","7.3238","0.0008","90","","108.772","0.001","90","","773.3","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B2 F4 N4 -","- C14 H16 B2 F4 N4 -","- C28 H32 B4 F8 N8 -","2","0.5","","Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole.","Organic letters","2014","16","11","3048","3051","10.1021/ol501162f","","","0.71073","MoKα","","0.057","0.0511","","","0.143","0.1497","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516171","9.676","0.0018","13.659","0.003","15.313","0.003","90","","103.66","0.002","90","","1966.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 B2 F4 N4 -","- C18 H24 B2 F4 N4 -","- C72 H96 B8 F16 N16 -","4","1","","Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole.","Organic letters","2014","16","11","3048","3051","10.1021/ol501162f","","","0.71073","MoKα","","0.1254","0.0663","","","0.1495","0.1998","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516172","12.306","0.003","9.48","0.002","18.766","0.004","90","","90","","90","","2189.3","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 B F2 N4 -","- C10 H9 B F2 N4 -","- C80 H72 B8 F16 N32 -","8","1","","Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole.","Organic letters","2014","16","11","3048","3051","10.1021/ol501162f","","","0.71073","MoKα","","0.147","0.0474","","","0.0952","0.1272","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516173","8.058","0.0009","21.225","0.002","8.7995","0.001","90","","102.217","0.001","90","","1470.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 B F2 N4 -","- C14 H17 B F2 N4 -","- C56 H68 B4 F8 N16 -","4","1","","Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole.","Organic letters","2014","16","11","3048","3051","10.1021/ol501162f","","","0.71073","MoKα","","0.0679","0.0488","","","0.1465","0.1627","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516174","29.895","0.018","12.375","0.007","15.464","0.009","90","","107.104","0.006","90","","5468","6","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 F6 N4 O4 -","- C26 H22 F6 N4 O4 -","- C208 H176 F48 N32 O32 -","8","1","","Zhang, Fa-Guang; Wei, Yi; Yi, Yu-Ping; Nie, Jing; Ma, Jun-An","Regioselective Cycloaddition of Trifluorodiazoethane with Electron-Deficient Allenic Esters and Ketones: Access to CF3-Substituted Pyrazolines and Pyrazoles.","Organic letters","2014","16","11","3122","3125","10.1021/ol501249h","","","0.71073","MoKα","","0.0883","0.071","","","0.2089","0.2311","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516175","9.4197","0.0019","8.3092","0.0017","17.992","0.004","90","","98.7","0.03","90","","1392","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Cai, Shangjun; Chen, Chao; Shao, Peng; Xi, Chanjuan","Rh(III)-Catalyzed Cascade Oxidative Olefination/Cyclization of Picolinamides and Alkenes via C-H Activation.","Organic letters","2014","16","11","3142","3145","10.1021/ol501275r","","","0.71073","MoKα","","","0.0619","","","0.1279","0.1304","","","","","","1.227","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516176","7.5875","0.0015","21.568","0.004","8.3245","0.0017","90","","110.26","0.03","90","","1278","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Cai, Shangjun; Chen, Chao; Shao, Peng; Xi, Chanjuan","Rh(III)-Catalyzed Cascade Oxidative Olefination/Cyclization of Picolinamides and Alkenes via C-H Activation.","Organic letters","2014","16","11","3142","3145","10.1021/ol501275r","","","0.71073","MoKα","","","0.0584","","","0.1397","0.1434","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516232","14.729","0.003","15.302","0.003","17.015","0.003","110.482","0.0004","91.5392","0.0017","117.76","0.0013","3094.5","1","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","diphenylvinyliene-substituted heterotriangulene","","- C82.5 H44 F15 N O -","- C82.5 H44 F15 N O -","- C165 H88 F30 N2 O2 -","2","1","","Chou, Chih-Ming; Saito, Shohei; Yamaguchi, Shigehiro","Heterotriangulenes π-Expanded at Bridging Positions.","Organic letters","2014","16","11","2868","2871","10.1021/ol501004g","","","0.71075","MoKα","","0.0615","0.0525","","","0.1402","0.149","","","","","","1.035","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516233","26.3661","0.0005","26.5069","0.0005","39.8191","0.0007","100.01","0.0007","99.1855","0.0007","99.1177","0.0007","26552.9","0.9","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Dibenzo[c,g]fluorenyl-substituted heterotriangulene","","- C122.4 H59 Cl3.4 F15 N -","- C122.4 H59 Cl3.4 F15 N -","- C1224 H590 Cl34 F150 N10 -","10","5","","Chou, Chih-Ming; Saito, Shohei; Yamaguchi, Shigehiro","Heterotriangulenes π-Expanded at Bridging Positions.","Organic letters","2014","16","11","2868","2871","10.1021/ol501004g","","","1.54187","CuKα","","0.1692","0.1238","","","0.3372","0.3744","","","","","","1.073","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1516234","25.7374","0.0005","16.733","0.0003","30.152","0.0008","90","","114.227","0.0007","90","","11841.7","0.4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Partially cyclized heterotriangulenes","","- C78 H32 F15 N -","- C78 H32 F15 N -","- C624 H256 F120 N8 -","8","1","","Chou, Chih-Ming; Saito, Shohei; Yamaguchi, Shigehiro","Heterotriangulenes π-Expanded at Bridging Positions.","Organic letters","2014","16","11","2868","2871","10.1021/ol501004g","","","1.54187","CuKα","","0.1632","0.0825","","","0.1855","0.2208","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516235","11.5879","0.0002","11.617","0.0002","19.7761","0.0004","90","","90","","90","","2662.19","0.08","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H16 O6 -","- C13 H16 O6 -","- C104 H128 O48 -","8","1","","Rout, Saroj Kumar; Guin, Srimanta; Ali, Wajid; Gogoi, Anupal; Patel, Bhisma K.","Copper-Catalyzed Esterification of Alkylbenzenes with Cyclic Ethers and Cycloalkanes via C(sp(3))-H Activation Following Cross-Dehydrogenative Coupling.","Organic letters","2014","16","11","3086","3089","10.1021/ol5011906","","","0.71073","MoKα","","0.0566","0.0381","","","0.0965","0.1048","","","","","","0.893","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516236","9.772","0.0004","12.0351","0.0004","17.3162","0.0006","90","","93.947","0.001","90","","2031.68","0.13","296","2","296","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","3,10,14,21-tetrakis(4-methoxyphenyl)pentacyclo[11.8.0.0^2,11^.0^4,9^.0^15,20^] henicosa-1(21),2,4(9),5,7,10,13,15(20),16,18-decaen-12-one","","- C49 H36 O5 -","- C49 H36 O5 -","- C98 H72 O10 -","2","0.5","","Nandakumar, Meganathan; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.","Diels-Alder Reaction of 1,3-Diarylbenzo[c]furans with Thiophene S,S-Dioxide/Indenone Derivatives: A Facile Preparation of Substituted Dibenzothiophene S,S-Dioxides and Fluorenones.","Organic letters","2014","16","11","3068","3071","10.1021/ol501175q","","","0.71073","MoKα","","0.0524","0.0397","","","0.1173","0.1248","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516237","13.7369","0.0005","13.8077","0.0005","16.4824","0.0006","78.442","0.002","68.211","0.002","80.216","0.002","2828.35","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3,10-bis(4-methoxyphenyl)12$^6^-thiapentacyclo[11.8.0.0^2,11^.0^4,9^.0^15,20^] henicosa-1(21),2,4(9),5,7,10,13,15(20),16,18-decaene-12,12-dione","","- C34 H24 O4 S -","- C34 H24 O4 S -","- C136 H96 O16 S4 -","4","2","","Nandakumar, Meganathan; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.","Diels-Alder Reaction of 1,3-Diarylbenzo[c]furans with Thiophene S,S-Dioxide/Indenone Derivatives: A Facile Preparation of Substituted Dibenzothiophene S,S-Dioxides and Fluorenones.","Organic letters","2014","16","11","3068","3071","10.1021/ol501175q","","","0.71073","MoKα","","0.0922","0.0536","","","0.1532","0.1698","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516238","9.9374","0.0002","16.1534","0.0004","13.053","0.0003","90","","100.308","0.001","90","","2061.49","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,9-diphenyl-17$^6^thiatetracyclo[8.7.0^3,8^.0^11,16^] heptadeca-1,3,5,7,9,11(16),12,14-octane-17,17-dione","","- C28 H18 O2 S -","- C28 H18 O2 S -","- C112 H72 O8 S4 -","4","1","","Nandakumar, Meganathan; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.","Diels-Alder Reaction of 1,3-Diarylbenzo[c]furans with Thiophene S,S-Dioxide/Indenone Derivatives: A Facile Preparation of Substituted Dibenzothiophene S,S-Dioxides and Fluorenones.","Organic letters","2014","16","11","3068","3071","10.1021/ol501175q","","","0.71073","MoKα","","0.1043","0.0541","","","0.1415","0.1689","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516239","7.6763","0.0003","10.0446","0.0004","15.7356","0.0006","81.3","0.002","82.163","0.002","86.148","0.002","1186.79","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 F3 O2 -","- C13 H11 F3 O2 -","- C52 H44 F12 O8 -","4","2","","Kohn, Benjamin L.; Rovis, Tomislav","Cobaltate anion couples terminal dienes with trifluoroacetic anhydride: a direct fluoroacylation of 1,3-dienes","Chemical Science","2014","5","7","2889","","10.1039/c4sc00743c","","","0.71073","MoKα","","0.0794","0.0417","","","0.0829","0.0951","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516250","19.483","0.003","26.625","0.004","38.568","0.005","90","","92.761","0.005","90","","19983","5","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C156 H240 Mn6 N3 O33 Tb -","- C156 H237 Mn6 N3 O33 Tb -","- C624 H948 Mn24 N12 O132 Tb4 -","4","1","","Ledezma-Gairaud, M; Grangel, L.; Aromí, G; Fujisawa, T.; Yamaguchi, A.; Sumiyama, A.; Sañudo, E C","From serendipitous assembly to controlled synthesis of 3d-4f single-molecule magnets.","Inorganic chemistry","2014","53","12","5878","5880","10.1021/ic500418e","","","0.71073","MoKα","","0.1053","0.0642","","","0.1751","0.19","","","","","","0.991","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516251","27.1673","0.0012","19.6773","0.0008","32.4879","0.0014","90","","105.531","0.003","90","","16733.2","1.3","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C159 H244 La Mn6 N4 O34 -","- C159 H234 La Mn6 N4 O34 -","- C636 H936 La4 Mn24 N16 O136 -","4","1","","Ledezma-Gairaud, M; Grangel, L.; Aromí, G; Fujisawa, T.; Yamaguchi, A.; Sumiyama, A.; Sañudo, E C","From serendipitous assembly to controlled synthesis of 3d-4f single-molecule magnets.","Inorganic chemistry","2014","53","12","5878","5880","10.1021/ic500418e","","","0.71073","MoKα","","0.145","0.0798","","","0.1955","0.2459","","","","","","1.157","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516252","19.481","0.003","26.582","0.004","38.691","0.006","90","","92.731","0.003","90","","20013","5","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C156 H240 Gd Mn6 N3 O33 -","- C156 H237 Gd Mn6 N3 O33 -","- C624 H948 Gd4 Mn24 N12 O132 -","4","1","","Ledezma-Gairaud, M; Grangel, L.; Aromí, G; Fujisawa, T.; Yamaguchi, A.; Sumiyama, A.; Sañudo, E C","From serendipitous assembly to controlled synthesis of 3d-4f single-molecule magnets.","Inorganic chemistry","2014","53","12","5878","5880","10.1021/ic500418e","","","0.71073","MoKα","","0.0867","0.0594","","","0.1598","0.1724","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516253","4.789","0.005","12.683","0.014","16.599","0.016","90","","71.26","0.03","90","","954.8","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe-radical-100K-cell-II","","","- C6 H3 F N3 S4 -","- C6 H3 F N3 S4 -","- C24 H12 F4 N12 S16 -","4","1","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","","","0.71073","MoKα","","0.1174","0.0838","","","0.193","0.2044","","","","","","1.285","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516254","17.301","0.003","4.0582","0.0007","26.249","0.004","90","","92.074","0.004","90","","1841.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","FBPMe-alpha","","","- C6 H3 F N3 S4 -","- C6 H3 F N3 S4 -","- C48 H24 F8 N24 S32 -","8","2","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","","","0.71073","MoKα","","0.0692","0.0526","","","0.0993","0.1076","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516255","4.6011","0.0007","12.7317","0.0019","15.9122","0.0019","90","","78.949","0.004","90","","914.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe-beta","","","- C12 H6 F2 N6 S8 -","- C12 H6 F2 N6 S8 -","- C24 H12 F4 N12 S16 -","2","0.5","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","","","0.71073","MoKα","","0.0774","0.0486","","","0.0758","0.0892","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516256","4.12168","0.00024","13.2722","0.0011","14.8586","0.001","90","","84.318","0.005","90","","808.83","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe","","","- C12 H6 F2 N6 S8 -","- C12 H6 F2 N6 S8 -","- C24 H12 F4 N12 S16 -","2","0.5","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","powder diffraction","x-ray","0.50918","synchrotron","","","","","","","","0.17464","","0.54","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516257","4.789","0.005","12.683","0.014","16.281","0.016","90","","74.89","0.03","90","","954.7","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe-radical-100K-cell-I","","","- C6 H3 F N3 S4 -","- C6 H3 F N3 S4 -","- C24 H12 F4 N12 S16 -","4","1","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","","","0.71073","MoKα","","0.1175","0.0838","","","0.1932","0.2046","","","","","","1.286","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516258","3.86543","0.00033","13.4994","0.0021","14.4694","0.0012","90","","86.261","0.007","90","","753.42","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPMe","","","- C12 H6 F2 N6 S8 -","- C12 H6 F2 N6 S8 -","- C24 H12 F4 N12 S16 -","2","0.5","","Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T.","Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers.","Journal of the American Chemical Society","2014","136","22","8050","","10.1021/ja502753t","powder diffraction","x-ray","0.50918","synchrotron","","","","","","","","0.36353","","0.46","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516259","20.3517","0.0009","11.4308","0.0005","14.8442","0.0007","90","","116.774","0.001","90","","3083.1","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 Si2 Sn -","- C34 H38 Si2 Sn -","- C136 H152 Si8 Sn4 -","4","0.5","","Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Minoura, Mao; Herber, Rolfe H.; Saito, Masaichi","Enhancement of Stannylene Character in Stannole Dianion Equivalents Evidenced by NMR and Mössbauer Spectroscopy and Theoretical Studies of Newly Synthesized Silyl-Substituted Dilithiostannoles","Organometallics","2014","33","11","2910","","10.1021/om5003717","","","0.71073","MoKα","","0.0275","0.0256","","","0.0619","0.0628","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516260","8.4097","0.0016","13.856","0.002","32.621","0.006","90","","90","","90","","3801.2","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H52 Li2 O2 Si2 Sn -","- C37 H52 Li2 O2 Si2 Sn -","- C148 H208 Li8 O8 Si8 Sn4 -","4","1","","Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Minoura, Mao; Herber, Rolfe H.; Saito, Masaichi","Enhancement of Stannylene Character in Stannole Dianion Equivalents Evidenced by NMR and Mössbauer Spectroscopy and Theoretical Studies of Newly Synthesized Silyl-Substituted Dilithiostannoles","Organometallics","2014","33","11","2910","","10.1021/om5003717","","","0.71073","MoKα","","0.0877","0.0675","","","0.1286","0.1371","","","","","","1.029","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516261","12.3909","0.0009","12.4427","0.0009","13.724","0.001","83.022","0.002","67.354","0.001","75.564","0.002","1890.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H56 Li2 O2 Si2 Sn -","- C36 H56 Li2 O2 Si2 Sn -","- C72 H112 Li4 O4 Si4 Sn2 -","2","1","","Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Minoura, Mao; Herber, Rolfe H.; Saito, Masaichi","Enhancement of Stannylene Character in Stannole Dianion Equivalents Evidenced by NMR and Mössbauer Spectroscopy and Theoretical Studies of Newly Synthesized Silyl-Substituted Dilithiostannoles","Organometallics","2014","33","11","2910","","10.1021/om5003717","","","0.71073","MoKα","","0.0523","0.0423","","","0.0994","0.106","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516262","8.9016","0.0006","12.934","0.0009","13.6174","0.0009","63.626","0.003","78.563","0.003","80.061","0.003","1370.35","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H38 Au Cl4 N5 -","- C20 H38 Au Cl4 N5 -","- C40 H76 Au2 Cl8 N10 -","2","1","","Mirabdolbaghi, Roya; Dudding, Travis; Stamatatos, Theocharis","A Class of Phase-Transfer Catalyst with Interionic Strain: Insight into the Bonding of Disubstituted N- vs Carbene-Stabilized N(I)-Centered Cations.","Organic letters","2014","16","11","2790","2793","10.1021/ol501068f","","","0.71073","MoKα","","0.0256","0.0233","","","0.0499","0.0513","","","","","","1.195","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516263","16.646","0.004","22.121","0.005","9.329","0.002","90","","90.328","0.007","90","","3435.1","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H41 Cl F9 N5 O6 -","- C26 H41 Cl F9 N5 O6 -","- C104 H164 Cl4 F36 N20 O24 -","4","1","","Mirabdolbaghi, Roya; Dudding, Travis; Stamatatos, Theocharis","A Class of Phase-Transfer Catalyst with Interionic Strain: Insight into the Bonding of Disubstituted N- vs Carbene-Stabilized N(I)-Centered Cations.","Organic letters","2014","16","11","2790","2793","10.1021/ol501068f","","","0.71073","MoKα","","0.3472","0.294","","","0.6423","0.6581","","","","","","2.637","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516264","11.939","0.002","12.451","0.003","15.057","0.003","90","","90","","90","","2238.3","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl N2 O4 -","- C24 H25 Cl N2 O4 -","- C96 H100 Cl4 N8 O16 -","4","1","","Zhang, Han-Ming; Gao, Zhong-Hua; Ye, Song","Bifunctional N-Heterocyclic Carbene-Catalyzed Highly Enantioselective Synthesis of Spirocyclic Oxindolo-β-lactams.","Organic letters","2014","16","11","3079","3081","10.1021/ol501205v","","","0.71073","MoKα","","0.0406","0.0388","","","0.0851","0.0865","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516265","14.7042","0.0004","8.8119","0.0003","27.6407","0.0007","90","","90","","90","","3581.46","0.18","293","2","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H16 N2 O -","- C24 H16 N2 O -","- C192 H128 N16 O8 -","8","1","","Dong, Jiaxing; Wang, Fei; You, Jingsong","Copper-Mediated Tandem Oxidative C(sp(2))-H/C(sp)-H Alkynylation and Annulation of Arenes with Terminal Alkynes.","Organic letters","2014","16","11","2884","2887","10.1021/ol501023n","","","0.7107","MoKα","","0.0834","0.0474","","","0.0893","0.1051","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516266","13.6767","0.0004","15.7946","0.0004","16.3191","0.0004","102.448","0.002","93.042","0.002","96.154","0.002","3411.96","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H59 B F15 O7 Si U -","- C76 H59 B F15 O7 Si U -","- C152 H118 B2 F30 O14 Si2 U2 -","2","1","","Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W.","Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage","Chemical Science","2014","5","8","3204","","10.1039/c4sc00996g","","","0.71073","MoKα","","0.033","0.0266","","","0.0619","0.0647","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516267","12.8552","0.0003","15.7463","0.0003","16.5535","0.0003","100.009","0.001","103.592","0.001","90.593","0.001","3202.79","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H52 B F15 O7 Si U -","- C68 H52 B F15 O7 Si U -","- C136 H104 B2 F30 O14 Si2 U2 -","2","1","","Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W.","Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage","Chemical Science","2014","5","8","3204","","10.1039/c4sc00996g","","","0.71073","MoKα","","0.0339","0.0281","","","0.0741","0.0783","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516268","12.0721","0.0006","12.2867","0.0007","17.884","0.0011","89.672","0.004","80.12","0.004","78.024","0.004","2555.2","0.3","151","2","151","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H37 B F15 O6 Si U -","- C54 H37 B F15 O6 Si U -","- C108 H74 B2 F30 O12 Si2 U2 -","2","1","","Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W.","Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage","Chemical Science","2014","5","8","3204","","10.1039/c4sc00996g","","","0.71073","MoKα","","0.0482","0.0388","","","0.0984","0.1047","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516269","15.1204","0.0004","16.1764","0.0005","16.4479","0.0005","112.966","0.002","96.391","0.002","115.286","0.002","3157","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C73 H48 B F15 O7 U -","- C73 H48 B F15 O7 U -","- C146 H96 B2 F30 O14 U2 -","2","2","","Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W.","Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage","Chemical Science","2014","5","8","3204","","10.1039/c4sc00996g","","","0.71073","MoKα","","0.0736","0.0468","","","0.095","0.1062","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516270","11.6002","0.0006","15.3265","0.0008","22.3436","0.0012","92.48","0.003","95.186","0.002","109.408","0.002","3720","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","compound 1Dy","","- C86 H82 Dy N19 O2 -","- C86 H82 Dy N19 O2 -","- C172 H164 Dy2 N38 O4 -","2","1","","Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J.","Spectroscopic determination of crystal field splittings in lanthanide double deckers","Chemical Science","2014","5","8","3287","","10.1039/c4sc00751d","","","0.71073","MoKα","","0.0358","0.0286","","","0.0644","0.0675","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516271","11.5308","0.0009","15.2909","0.0012","22.27","0.0018","92.524","0.004","95.122","0.004","109.342","0.004","3678.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","compound 1Er","","- C86 H82 Er N19 O2 -","- C86 H82 Er N19 O2 -","- C172 H164 Er2 N38 O4 -","2","1","","Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J.","Spectroscopic determination of crystal field splittings in lanthanide double deckers","Chemical Science","2014","5","8","3287","","10.1039/c4sc00751d","","","0.71073","MoKα","","0.0442","0.035","","","0.0788","0.0844","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516272","11.5698","0.0008","15.3429","0.0012","22.3337","0.0017","92.514","0.004","95.132","0.004","109.356","0.004","3714.1","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","compound 1Ho","","- C86 H82 Ho N19 O2 -","- C86 H82 Ho N19 O2 -","- C172 H164 Ho2 N38 O4 -","2","1","","Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J.","Spectroscopic determination of crystal field splittings in lanthanide double deckers","Chemical Science","2014","5","8","3287","","10.1039/c4sc00751d","","","0.71073","MoKα","","0.0341","0.0266","","","0.0565","0.0588","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516273","16.1537","0.0003","19.955","0.0004","22.8279","0.0005","90","","90","","90","","7358.5","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C76 H118 B2 K2 O8 -","- C76 H118 B2 K2 O8 -","- C304 H472 B8 K8 O32 -","4","0.5","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole","Chemical Science","2014","5","8","3189","","10.1039/c4sc01201a","","","1.54178","CuKα","","0.0805","0.0701","","","0.2082","0.2222","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516274","10.3128","0.0002","14.6667","0.0002","19.3119","0.0004","90","","102.005","0.001","90","","2857.13","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H86 B2 K2 O4 -","- C60 H86 B2 K2 O4 -","- C120 H172 B4 K4 O8 -","2","0.5","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole","Chemical Science","2014","5","8","3189","","10.1039/c4sc01201a","","","0.71073","MoKα","","0.0791","0.0682","","","0.1642","0.1742","","","","","","1.022","","","","has coordinates","186650","2020-10-21","18:00:00",""
"1516275","11.337","0.0007","11.9746","0.0007","13.9071","0.0006","83.312","0.003","85.92","0.003","88.345","0.002","1869.97","0.18","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H56 B2 -","- C44 H56 B2 -","- C88 H112 B4 -","2","1","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole","Chemical Science","2014","5","8","3189","","10.1039/c4sc01201a","","","0.71073","MoKα","","0.2218","0.1478","","","0.2176","0.2406","","","","","","1.495","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516276","11.5296","0.0009","13.4868","0.0018","14.6512","0.0011","112.337","0.006","111.343","0.004","95.399","0.006","1890","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H88 B2 Cl4 Co -","- C66 H88 B2 Cl4 Co -","- C66 H88 B2 Cl4 Co -","1","0.5","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole","Chemical Science","2014","5","8","3189","","10.1039/c4sc01201a","","","1.54178","CuKα","","0.0665","0.0586","","","0.1638","0.1699","","","","","","1.108","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516277","16.5044","0.0002","23.0305","0.0002","28.6494","0.0003","90","","104.041","0.001","90","","10564.4","0.2","123","0.1","123","1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H134 Cl4 Fe2 O4 P4 -","- C116 H134 Cl4 Fe2 O4 P4 -","- C464 H536 Cl16 Fe8 O16 P16 -","4","0.5","","Heinl, Sebastian; Scheer, Manfred","Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals","Chemical Science","2014","5","8","3221","","10.1039/c4sc01213e","","x-ray","1.54178","CuKα","","0.04","0.0382","","","0.109","0.1106","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516278","16.0862","0.0004","23.1908","0.0005","29.2063","0.0006","90","","103.712","0.002","90","","10584.9","0.4","123","0.1","123","0.1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H134 As4 Cl4 Fe2 O4 -","- C116 H134 As4 Cl4 Fe2 O4 -","- C464 H536 As16 Cl16 Fe8 O16 -","4","0.5","","Heinl, Sebastian; Scheer, Manfred","Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals","Chemical Science","2014","5","8","3221","","10.1039/c4sc01213e","","x-ray","1.54178","CuKα","","0.0851","0.0627","","","0.163","0.1837","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516279","18.6002","0.0004","19.1311","0.0002","30.2819","0.0005","89.89","0.001","88.546","0.002","84.899","0.001","10729.4","0.3","123","0.2","123","0.2","","","","","","","see text","8","P -1","-P 1","2","","","","- C116 H133.5 Cl2 Fe2 N0.5 O4 P4 S3 -","- C116 H133.5 Cl2 Fe2 N0.5 O4 P4 S3 -","- C464 H534 Cl8 Fe8 N2 O16 P16 S12 -","4","2","","Heinl, Sebastian; Scheer, Manfred","Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals","Chemical Science","2014","5","8","3221","","10.1039/c4sc01213e","","x-ray","1.54178","CuKα","","0.082","0.0643","","","0.1845","0.1949","","","","","","0.969","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516280","13.6386","0.0005","16.2697","0.0005","23.7755","0.0009","77.294","0.003","86.087","0.003","85.081","0.003","5120.9","0.3","123","0.1","123","0.1","","","","","","","see text","6","P -1","-P 1","2","","","","- C114 H130 Fe2 O4 P4 Se3 -","- C114 H130 Fe2 O4 P4 Se3 -","- C228 H260 Fe4 O8 P8 Se6 -","2","1","","Heinl, Sebastian; Scheer, Manfred","Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals","Chemical Science","2014","5","8","3221","","10.1039/c4sc01213e","","x-ray","1.54178","CuKα","","0.1485","0.0701","","","0.1808","0.2062","","","","","","0.887","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516281","12.6885","0.0003","13.6189","0.0003","15.8914","0.0003","103.957","0.002","103.841","0.002","103.076","0.002","2467.36","0.11","123","0.2","123","0.2","","","","","","","see text","5","P -1","-P 1","2","","","","- C114 H130 Fe2 O3 S2 -","- C114 H130 Fe2 O3 S2 -","- C114 H130 Fe2 O3 S2 -","1","0.5","","Heinl, Sebastian; Scheer, Manfred","Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals","Chemical Science","2014","5","8","3221","","10.1039/c4sc01213e","","x-ray","1.54178","CuKα","","0.0715","0.0565","","","0.1656","0.1749","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516282","47.182","0.005","9.857","0.005","32.787","0.005","90","0.005","101.008","0.005","90","0.005","14968","8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Cd2 N10 O21 -","- C54 H40 Cd2 N8 O16 -","- C432 H320 Cd16 N64 O128 -","8","1","","Song, Bai-Qiao; Wang, Xin-Long; Yang, Guang-Sheng; Wang, Hai-Ning; Liang, Jun; Shao, Kui-Zhan; Su, Zhong-Min","A polyrotaxane-like metal‒organic framework exhibiting luminescent sensing of Eu3+cations and proton conductivity","CrystEngComm","2014","16","30","6882","","10.1039/C4CE00546E","","","0.71069","MoKα","","0.0706","0.0459","","","0.1196","0.1283","","","","","","0.963","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516322","8.2225","0.0003","15.7819","0.0007","13.9342","0.0005","90","","94.669","0.004","90","","1802.19","0.12","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 B F2 I O3 -","- C20 H14 B F2 I O3 -","- C80 H56 B4 F8 I4 O12 -","4","1","","D’Aléo, Anthony; Heresanu, Vasile; Giorgi, Michel; Le Guennic, Boris; Jacquemin, Denis; Fages, Frédéric","NIR Emission in Borondifluoride Complexes of 2′-Hydroxychalcone Derivatives Containing an Acetonaphthone Ring","The Journal of Physical Chemistry C","2014","118","22","11906","","10.1021/jp5041597","","x-ray","0.71073","MoKα","","0.1028","0.0389","","","0.091","0.1072","","","","","","0.964","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516323","7.0724","0.0002","13.4708","0.0003","18.7873","0.0006","90","","92.283","0.001","90","","1788.46","0.09","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 B F2 O3 -","- C22 H17 B F2 O3 -","- C88 H68 B4 F8 O12 -","4","1","","D’Aléo, Anthony; Heresanu, Vasile; Giorgi, Michel; Le Guennic, Boris; Jacquemin, Denis; Fages, Frédéric","NIR Emission in Borondifluoride Complexes of 2′-Hydroxychalcone Derivatives Containing an Acetonaphthone Ring","The Journal of Physical Chemistry C","2014","118","22","11906","","10.1021/jp5041597","","x-ray","0.71073","MoKα","","0.1104","0.0586","","","0.1477","0.1802","","","","","","1.081","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516324","7.4641","0.0001","17.7664","0.0004","14.5841","0.0003","90","","101.072","0.001","90","","1898","0.06","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B Br2 F2 O3 -","- C20 H13 B Br2 F2 O3 -","- C80 H52 B4 Br8 F8 O12 -","4","1","","D’Aléo, Anthony; Heresanu, Vasile; Giorgi, Michel; Le Guennic, Boris; Jacquemin, Denis; Fages, Frédéric","NIR Emission in Borondifluoride Complexes of 2′-Hydroxychalcone Derivatives Containing an Acetonaphthone Ring","The Journal of Physical Chemistry C","2014","118","22","11906","","10.1021/jp5041597","","x-ray","0.71073","MoKα","","0.0743","0.0517","","","0.0992","0.1086","","","","","","1.155","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1516325","6.877","0.0014","16.165","0.003","8.684","0.0017","90","","107.06","0.03","90","","922.9","0.3","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N O3 P -","- C9 H10 N O3 P -","- C36 H40 N4 O12 P4 -","4","1","","Kim, Yea Rin; Cho, Seungyoon; Lee, Phil Ho","Metal-Free Azaphosphaannulation of Phosphonamides through Intramolecular Oxidative C-N Bond Formation.","Organic letters","2014","16","11","3098","3101","10.1021/ol501207w","","","0.71073","MoKα","","0.0904","0.0582","","","0.1487","0.1583","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516326","7.203","0.0014","8.501","0.0017","17.051","0.003","90","","90.9","0.03","90","","1044","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N O3 P -","- C10 H12 N O3 P -","- C40 H48 N4 O12 P4 -","4","1","","Kim, Yea Rin; Cho, Seungyoon; Lee, Phil Ho","Metal-Free Azaphosphaannulation of Phosphonamides through Intramolecular Oxidative C-N Bond Formation.","Organic letters","2014","16","11","3098","3101","10.1021/ol501207w","","","0.71073","MoKα","","0.0497","0.0441","","","0.1201","0.123","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516327","16.1665","0.0011","10.3002","0.0007","27.3994","0.0019","90","","102.802","0.007","90","","4449.1","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H76 P2 Pd Si -","- C47 H76 P2 Pd Si -","- C188 H304 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","x-ray","0.71073","MoKα","K-L~3~","0.1038","0.0628","","","0.1269","0.1453","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516328","14.8954","0.0003","18.9114","0.0003","16.6032","0.0012","90","","106.453","0.007","90","","4485.5","0.4","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H76 P2 Pd Si -","- C47 H76 P2 Pd Si -","- C188 H304 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","","1.54178","CuKa","","0.0418","0.0398","","","0.1061","0.1077","","","","","","1.03","","","","has coordinates,has disorder","214153","2020-10-21","18:00:00",""
"1516329","12.6994","0.0016","25.26","0.003","13.3608","0.0017","90","","105.432","0.007","90","","4131.4","0.9","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H64 O2 P2 Pd Si -","- C43 H64 O2 P2 Pd Si -","- C172 H256 O8 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","x-ray","0.71073","MoKα","K-L~3~","0.076","0.0597","","","0.1117","0.1191","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516330","9.374","0.004","17.3855","0.0007","23.3068","0.001","90","","101.572","0.013","90","","3721.1","1.6","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 P2 Pd Si -","- C39 H60 P2 Pd Si -","- C156 H240 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","x-ray","0.71073","MoKα","K-L~3~","0.0801","0.0629","","","0.1043","0.1101","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516331","10.632","0.003","23.5987","0.0007","19.2983","0.0014","90","","105.726","0.011","90","","4660.7","1.4","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H71 Al O2 P2 Pd Si -","- C44 H71 Al O2 P2 Pd Si -","- C176 H284 Al4 O8 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","","0.71075","MoKα","","0.1105","0.0902","","","0.2489","0.2734","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516332","23.517","0.018","21.766","0.018","14.71","0.01","90","","90","","90","","7530","10","223","","223","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H55 F3 O3 P2 Pd S Si -","- C38 H55 F3 O3 P2 Pd S Si -","- C304 H440 F24 O24 P16 Pd8 S8 Si8 -","8","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","","0.71075","MoKα","","0.097","0.0634","","","0.1291","0.1433","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516333","12.9946","0.0004","14.2318","0.0004","20.8681","0.0015","90","","100.188","0.007","90","","3798.4","0.3","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 P2 Pd Si -","- C38.726 H59.315 Cl0.137 P2 Pd Si -","- C154.904 H237.26 Cl0.548 P8 Pd4 Si4 -","4","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","","0.71075","MoKα","","0.05","0.0396","","","0.0793","0.0827","","","","","","1.123","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516334","8.187","0.0008","9.207","0.0009","27.256","0.003","90.044","0.008","89.948","0.01","106.384","0.008","1971.1","0.4","122","","122","","","","","","","","","4","P 1","P 1","1","4-Bromo-N-(3-(10-bromoanthracen-9-yl)propyl)-N-methylaniline","4-Bromo-N-(3-(10-bromoanthracen-9-yl)propyl)-N-methylaniline","","- C24 H21 Br2 N -","- C24 H21 Br2 N -","- C96 H84 Br8 N4 -","4","4","","Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus","Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","7","1093","1105","10.1039/c4pp00073k","","","0.71073","MoKα","","0.1037","0.058","","","0.1592","0.209","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516335","8.817","0.002","20.29","0.002","23.921","0.003","108.891","0.011","90.992","0.01","91.387","0.011","4046.3","1.2","122","","122","","","","","","","","","4","P -1","-P 1","2","4-Chloro-N-(3-(10-chloroanthracen-9-yl)propyl)-N-ethylbenzenamine","4-Chloro-N-(3-(10-chloroanthracen-9-yl)propyl)-N-ethylbenzenamine","","- C25 H23 Cl2 N -","- C25 H23 Cl2 N -","- C200 H184 Cl16 N8 -","8","4","","Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus","Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","7","1093","1105","10.1039/c4pp00073k","","","0.71073","MoKα","","0.1414","0.102","","","0.3212","0.3332","","","","","","2.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516336","8.09","0.004","9.054","0.009","27.394","0.011","90","0.07","90","0.06","90","0.05","2007","2","293","2","122","","","","","","","","","4","P -1","-P 1","2","4-Chloro-N-(3-(10-chloroanthracen-9-yl)propyl)-N-methylbenzenamine","4-Chloro-N-(3-(10-chloroanthracen-9-yl)propyl)-N-methylbenzenamine","","- C24 H21 Cl2 N -","- C24 H22 Cl2 N -","- C96 H88 Cl8 N4 -","4","2","","Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus","Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","7","1093","1105","10.1039/c4pp00073k","","","0.71073","MoKα","","0.0513","0.046","","","0.1458","0.1575","","","","","","1.53","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516337","9.285","0.0005","10.42","0.0004","10.928","0.0006","67.167","0.005","81.424","0.005","78.925","0.005","953.03","0.09","122","","122","","","","","","","","","4","P -1","-P 1","2","N-(3-(Anthracen-9-yl)propyl)-4-bromo-N-methylbenzenamine","N-(3-(Anthracen-9-yl)propyl)-4-bromo-N-methylbenzenamine","","- C24 H22 Br N -","- C24 H22 Br N -","- C48 H44 Br2 N2 -","2","1","","Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus","Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","7","1093","1105","10.1039/c4pp00073k","","","0.71073","MoKα","","0.0291","0.0286","","","0.0941","0.0958","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516338","9.298","0.0005","10.261","0.0007","10.943","0.0007","66.706","0.005","81.271","0.005","78.544","0.006","936.72","0.11","122","","122","","","","","","","","","4","P -1","-P 1","2","N-(3-(Anthracen-9-yl)propyl)-4-chloro-N-methylbenzenamine","N-(3-(Anthracen-9-yl)propyl)-4-chloro-N-methylbenzenamine","","- C24 H22 Cl N -","- C24 H22 Cl N -","- C48 H44 Cl2 N2 -","2","1","","Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus","Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","7","1093","1105","10.1039/c4pp00073k","","","0.71073","MoKα","","0.0693","0.0458","","","0.1512","0.1664","","","","","","1.185","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516339","8.4867","0.0006","6.5654","0.0005","11.1325","0.0007","90","","108.878","0.003","90","","586.92","0.07","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C24 H30 N2 O6 -","2","1","","Gietter, Amber A. S.; Gildner, Peter G.; Cinderella, Andrew P.; Watson, Donald A.","General Route for Preparing β-Nitrocarbonyl Compounds Using Copper Thermal Redox Catalysis.","Organic letters","2014","16","11","3166","3169","10.1021/ol5014153","","","1.54178","CuKα","","0.1015","0.0853","","","0.2531","0.291","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516340","5.8815","0.0003","8.9902","0.0004","15.9025","0.0007","90","","90","","90","","840.86","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Gietter, Amber A. S.; Gildner, Peter G.; Cinderella, Andrew P.; Watson, Donald A.","General Route for Preparing β-Nitrocarbonyl Compounds Using Copper Thermal Redox Catalysis.","Organic letters","2014","16","11","3166","3169","10.1021/ol5014153","","","1.54178","CuKα","","0.0281","0.0269","","","0.0763","0.0772","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516341","8.9297","0.0003","13.194","0.0005","14.536","0.0005","90","","98.9222","0.0008","90","","1691.89","0.1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H29 Cl N2 O3 -","- C14 H29 Cl N2 O3 -","- C56 H116 Cl4 N8 O12 -","4","1","","Gietter, Amber A. S.; Gildner, Peter G.; Cinderella, Andrew P.; Watson, Donald A.","General Route for Preparing β-Nitrocarbonyl Compounds Using Copper Thermal Redox Catalysis.","Organic letters","2014","16","11","3166","3169","10.1021/ol5014153","","","0.71073","MoKα","","0.0506","0.0429","","","0.1151","0.1207","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516342","14.922","0.011","11.523","0.009","9.548","0.007","90","","98.829","0.01","90","","1622","2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Cl2 N2 O3 -","- C14 H17 Cl2 N2 O3 -","- C56 H68 Cl8 N8 O12 -","4","1","","Gietter, Amber A. S.; Gildner, Peter G.; Cinderella, Andrew P.; Watson, Donald A.","General Route for Preparing β-Nitrocarbonyl Compounds Using Copper Thermal Redox Catalysis.","Organic letters","2014","16","11","3166","3169","10.1021/ol5014153","","","0.71073","MoKα","","0.1039","0.0862","","","0.1798","0.1874","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516343","13.7462","0.0017","11.9167","0.0019","12.602","0.0011","90","","106.292","0.011","90","","1981.4","0.4","294.16","0.1","294.16","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Tian, Jingjing; Du, Qiuchen; Guo, Rui; Li, Yun; Cheng, Bin; Zhai, Hongbin","Total synthesis of indole alkaloid (±)-subincanadine e.","Organic letters","2014","16","12","3173","3175","10.1021/ol501308p","","","1.5418","CuKα","","0.0777","0.0626","","","0.1708","0.1895","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516456","5.912339","0.000006","10.201282","0.000012","10.988655","0.000012","90","","90.3422","0.0001","90","","662.752","0.0013","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca3 Cl2 O4 Si -","- Ca3 Cl2 O4 Si -","- Ca12 Cl8 O16 Si4 -","4","1","","Kim, Tae-Gon; Kim, Taehyung; Kim, Jaegyeom; Kim, Seung-Joo; Im, Seoung-Jae","Interplay between Crystal Structure and Photoluminescence Properties of β-Ca3SiO4Cl2:Eu2+","The Journal of Physical Chemistry C","2014","118","23","12428","","10.1021/jp5002379","powder diffraction","","1.5498","Synchrotron","","","","","","","","","11.8538","1.739","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516457","7.3662","0.0004","17.2624","0.0008","11.3119","0.0007","90","","107.957","0.004","90","","1368.33","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N O2 S -","- C14 H19 N O2 S -","- C56 H76 N4 O8 S4 -","4","2","","Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo","Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines.","Organic letters","2014","16","11","3162","3165","10.1021/ol501372u","","","0.71073","MoKα","","0.0389","0.0297","","","0.0594","0.0608","","","","","","0.874","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516458","7.6766","0.0004","17.0877","0.0011","22.6809","0.0012","90","","90","","90","","2975.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C120 H168 N8 O16 S8 -","8","2","","Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo","Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines.","Organic letters","2014","16","11","3162","3165","10.1021/ol501372u","","","0.71073","MoKα","","0.0406","0.0309","","","0.0626","0.0639","","","","","","0.859","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516459","9.7947","0.0004","9.9666","0.0005","16.9986","0.0007","90","","90","","90","","1659.4","0.13","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C76 H84 N4 O8 S4 -","4","1","","Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo","Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines.","Organic letters","2014","16","11","3162","3165","10.1021/ol501372u","","","0.71073","MoKα","","0.0268","0.0252","","","0.0625","0.0634","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516460","10.2019","0.0012","13.2716","0.0008","11.3946","0.0009","90","","100.893","0.008","90","","1515","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","2","","Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo","Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines.","Organic letters","2014","16","11","3162","3165","10.1021/ol501372u","","","0.71073","MoKα","","0.0342","0.0289","","","0.0639","0.065","","","","","","0.943","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516461","9.4716","0.001","10.8769","0.0013","11.9856","0.0013","83.113","0.003","83.385","0.003","87.083","0.003","1216.8","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N5 O2 S -","- C29 H23 N5 O2 S -","- C58 H46 N10 O4 S2 -","2","1","","Tokimizu, Yusuke; Oishi, Shinya; Fujii, Nobutaka; Ohno, Hiroaki","Gold-Catalyzed Cascade Cyclization of (Azido)ynamides: An Efficient Strategy for the Construction of Indoloquinolines.","Organic letters","2014","16","11","3138","3141","10.1021/ol5012604","","","0.71075","MoKα","","","0.0527","","","","0.1394","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516462","19.6725","0.0012","18.2791","0.0011","12.5149","0.0007","90","","90","","90","","4500.3","0.5","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O2 S -","- C29 H22 N2 O2 S -","- C232 H176 N16 O16 S8 -","8","1","","Tokimizu, Yusuke; Oishi, Shinya; Fujii, Nobutaka; Ohno, Hiroaki","Gold-Catalyzed Cascade Cyclization of (Azido)ynamides: An Efficient Strategy for the Construction of Indoloquinolines.","Organic letters","2014","16","11","3138","3141","10.1021/ol5012604","","","0.71075","MoKα","","","0.0404","","","","0.058","","","","","","1.331","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516463","10.7122","0.0005","16.4862","0.0009","19.402","0.001","101.781","0.003","102.522","0.003","97.189","0.004","3222.6","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C140 H116 N12 O15 S20 Zn3 -","- C132 H94 N12 O14 S20 Zn3 -","- C132 H94 N12 O14 S20 Zn3 -","1","0.5","","Bill, Nathan L.; Ishida, Masatoshi; Kawashima, Yuki; Ohkubo, Kei; Sung, Young Mo; Lynch, Vincent M.; Lim, Jong Min; Kim, Dongho; Sessler, Jonathan L.; Fukuzumi, Shunichi","Long-lived charge-separated states produced in supramolecular complexes between anionic and cationic porphyrins","Chemical Science","2014","5","10","3888","","10.1039/C4SC00803K","","","0.71073","MoKα","","0.1322","0.0666","","","0.1555","0.1738","","","","","","1.132","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516464","21.651","0.005","8.9952","0.0016","13.072","0.003","90","","92.662","0.01","90","","2543.1","0.9","103","2","103","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H30 Cl N2 O4 -","- C26 H30 Cl N2 O4 -","- C104 H120 Cl4 N8 O16 -","4","1","","Xu, Jianfeng; Mou, Chengli; Zhu, Tingshun; Song, Bao-An; Chi, Yonggui Robin","N-heterocyclic carbene-catalyzed chemoselective cross-aza-benzoin reaction of enals with isatin-derived ketimines: access to chiral quaternary aminooxindoles.","Organic letters","2014","16","12","3272","3275","10.1021/ol501286e","","","0.71073","MoKα","","0.1303","0.0534","","","0.1109","0.1426","","","","","","1.006","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516465","17.6178","0.0009","18.0031","0.001","18.3649","0.001","88.054","0.002","64.192","0.002","73.825","0.002","5010.6","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H71 Cl4 N34 O29 Zn -","- C65 H71 Cl4 N34 O29 Zn -","- C130 H142 Cl8 N68 O58 Zn2 -","2","1","","Xiao, Xin; Sun, Nana; Qi, Dongdong; Jiang, Jianzhuang","Unprecedented Cucurbituril-Based Ternary Host-Guest Supramolecular Polymers Mediated through Included Alkyl Chains","Polymer Chemistry","2014","5","18","5211","5217","10.1039/c4py00512k","","","0.71073","MoKα","","0.2327","0.1745","","","0.4447","0.4861","","","","","","1.809","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516466","23.2417","0.0011","17.5255","0.0006","30.5983","0.0011","90","","108.234","0.004","90","","11837.5","0.9","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C134 H142 Cl20 N68 O89 Zn4 -","- C132 H142 Cl20 N68 O89 Zn4 -","- C264 H284 Cl40 N136 O178 Zn8 -","2","0.5","","Xiao, Xin; Sun, Nana; Qi, Dongdong; Jiang, Jianzhuang","Unprecedented Cucurbituril-Based Ternary Host-Guest Supramolecular Polymers Mediated through Included Alkyl Chains","Polymer Chemistry","2014","5","18","5211","5217","10.1039/c4py00512k","","","0.71073","MoKα","","0.2533","0.1126","","","0.2764","0.3785","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516468","11.7592","0.0008","12.747","0.0009","13.3933","0.0009","98.948","0.004","100.21","0.004","97.418","0.003","1926.2","0.2","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 K N4 O11.5 -","- C36 H35 K N4 O11.5 -","- C72 H70 K2 N8 O23 -","2","1","","Li, Chengjie; Ulrich, Markus; Liu, Xiujun; Wurst, Klaus; Müller, Thomas; Kräutler, Bernhard","Blue transition metal complexes of a natural bilin-type chlorophyll catabolite","Chemical Science","2014","5","9","3388","","10.1039/C4SC00348A","","","0.71073","MoKα","","0.1111","0.0769","","","0.1824","0.1968","","","","","","1.109","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516469","9.374","0.0003","14.5468","0.0004","19.7294","0.0005","90","","90","","90","","2690.33","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","TA523c","","","- C22 H34 N4 O4 Pd S -","- C22 H34 N4 O4 Pd S -","- C88 H136 N16 O16 Pd4 S4 -","4","1","","Poveda, Ana; Alonso, Inés; Fernández-Ibáñez, M. Ángeles","Experimental and computational studies on the mechanism of the Pd-catalyzed C(sp3)‒H γ-arylation of amino acid derivatives assisted by the 2-pyridylsulfonyl group","Chemical Science","2014","5","10","3873","","10.1039/C4SC00848K","","","0.71073","","","0.0201","0.018","","","0.0462","0.048","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516470","7.3028","0.0003","13.9746","0.0013","16.4665","0.0012","90","","90","","90","","1680.5","0.2","99.8","","99.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Chen, Shenxi; Zhang, Yang; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","Cytotoxic Cleistanthane and Cassane Diterpenoids from the Entomogenous Fungus Paraconiothyrium hawaiiense.","Journal of natural products","2014","77","6","1513","1518","10.1021/np500302e","","","1.5418","CuKα","","0.035","0.0344","","","0.0882","0.0888","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516471","7.2054","0.0003","8.0628","0.0003","31.8423","0.0011","90","","90","","90","","1849.9","0.12","97.2","0.1","97.2","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Chen, Shenxi; Zhang, Yang; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","Cytotoxic Cleistanthane and Cassane Diterpenoids from the Entomogenous Fungus Paraconiothyrium hawaiiense.","Journal of natural products","2014","77","6","1513","1518","10.1021/np500302e","","x-ray","1.54184","CuKα","","0.0389","0.0369","","","0.0945","0.0967","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516472","5.584","0.004","12.995","0.008","19.423","0.012","90","","93.534","0.015","90","","1406.7","1.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O -","- C20 H14 O -","- C80 H56 O4 -","4","1","","Ryerson, Joseph L.; Schrauben, Joel N.; Ferguson, Andrew J.; Sahoo, Subash Chandra; Naumov, Panče; Havlas, Zdenĕk; Michl, Josef; Nozik, Arthur J.; Johnson, Justin C.","Two Thin Film Polymorphs of the Singlet Fission Compound 1,3-Diphenylisobenzofuran","The Journal of Physical Chemistry C","2014","118","23","12121","","10.1021/jp502122d","","","0.71073","MoKα","","0.0668","0.0441","","","0.1074","0.1193","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516473","12.998","0.005","5.59","0.002","20.271","0.008","90","","106.215","0.009","90","","1414.3","0.9","298","2","298","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C20 H14 O -","- C20 H14 O -","- C80 H56 O4 -","4","1","","Ryerson, Joseph L.; Schrauben, Joel N.; Ferguson, Andrew J.; Sahoo, Subash Chandra; Naumov, Panče; Havlas, Zdenĕk; Michl, Josef; Nozik, Arthur J.; Johnson, Justin C.","Two Thin Film Polymorphs of the Singlet Fission Compound 1,3-Diphenylisobenzofuran","The Journal of Physical Chemistry C","2014","118","23","12121","","10.1021/jp502122d","","","0.71073","MoKα","","0.0491","0.0367","","","0.0939","0.1031","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516474","14.4575","0.0011","16.6903","0.0013","10.454","0.0009","90","","95.093","0.001","90","","2512.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H43 N2 O Si Y -","- C24 H43 N2 O Si Y -","- C96 H172 N8 O4 Si4 Y4 -","4","1","","Liu, Siqian; Du, Gaixia; He, Jianyun; Long, Yingyun; Zhang, Shaowen; Li, Xiaofang","Cationic Tropidinyl Scandium Catalyst: A Perfectly Acceptable Substitute for Cationic Half-Sandwich Scandium Catalysts incis-1,4-Polymerization of Isoprene and Copolymerization with Norbornene","Macromolecules","2014","47","11","3567","","10.1021/ma500740m","","","0.71073","MoKα","","0.0514","0.0382","","","0.1016","0.127","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516475","12.865","0.005","16.159","0.006","11.71","0.004","90","","90","","90","","2434.3","1.6","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H17.5 N0.5 O0.5 Sc0.5 Si -","- C10 H21 N0.5 O0.5 Sc0.5 Si -","- C80 H168 N4 O4 Sc4 Si8 -","8","1","","Liu, Siqian; Du, Gaixia; He, Jianyun; Long, Yingyun; Zhang, Shaowen; Li, Xiaofang","Cationic Tropidinyl Scandium Catalyst: A Perfectly Acceptable Substitute for Cationic Half-Sandwich Scandium Catalysts incis-1,4-Polymerization of Isoprene and Copolymerization with Norbornene","Macromolecules","2014","47","11","3567","","10.1021/ma500740m","","","0.71073","MoKα","","0.0939","0.0811","","","0.1739","0.1809","","","","","","1.24","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516476","19.256","0.002","10.164","0.001","18.218","0.0018","90","","90","","90","","3565.6","0.6","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H62 Lu2 N2 O2 Si2 -","- C32 H62 Lu2 N2 O2 Si2 -","- C128 H248 Lu8 N8 O8 Si8 -","4","1","","Liu, Siqian; Du, Gaixia; He, Jianyun; Long, Yingyun; Zhang, Shaowen; Li, Xiaofang","Cationic Tropidinyl Scandium Catalyst: A Perfectly Acceptable Substitute for Cationic Half-Sandwich Scandium Catalysts incis-1,4-Polymerization of Isoprene and Copolymerization with Norbornene","Macromolecules","2014","47","11","3567","","10.1021/ma500740m","","","0.71073","MoKα","","0.0306","0.0245","","","0.0448","0.0466","","","","","","1.046","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1516477","12.50619","0.00017","11.55718","0.00016","12.58675","0.00017","90","","97.3759","0.0012","90","","1804.19","0.04","201","5","201","5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br N O4 S -","- C18 H18 Br N O4 S -","- C72 H72 Br4 N4 O16 S4 -","4","1","","Medina, Florian; Besnard, Céline; Lacour, Jérôme","One-Step Synthesis of Nitrogen-Containing Medium-Sized Rings via α-Imino Diazo Intermediates.","Organic letters","2014","16","12","3232","3235","10.1021/ol5012532","","","1.5418","CuKα","","0.0372","0.0339","","","0.0865","0.0891","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516478","12.4111","0.0004","11.2306","0.0004","12.7572","0.0004","90","","98.363","0.003","90","","1759.24","0.1","180","2","180","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H16 Br N O4 S -","- C17 H16 Br N O4 S -","- C68 H64 Br4 N4 O16 S4 -","4","1","","Medina, Florian; Besnard, Céline; Lacour, Jérôme","One-Step Synthesis of Nitrogen-Containing Medium-Sized Rings via α-Imino Diazo Intermediates.","Organic letters","2014","16","12","3232","3235","10.1021/ol5012532","","","0.7107","MoKα","","0.0416","0.0329","","","0.0715","0.0765","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516499","10.201","0.005","19.08","0.009","16.886","0.008","90","","98.7827","0.0017","90","","3248","3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 P2 S2 -","- C38 H36 P2 S2 -","- C152 H144 P8 S8 -","4","1","","Furukawa, Shunsuke; Haga, Shunsuke; Kobayashi, Junji; Kawashima, Takayuki","Synthesis of π-Extended Dibenzophospholes by Intramolecular Radical Cyclization and Their Properties.","Organic letters","2014","16","12","3228","3231","10.1021/ol501189u","","","0.7107","MoKα","","0.0665","0.0459","","","0.1103","0.1243","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516500","9.151","0.005","12.814","0.008","15.408","0.009","109.378","0.006","91.446","0.005","107.726","0.006","1607.4","1.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H36 P2 S2 -","- C38 H36 P2 S2 -","- C76 H72 P4 S4 -","2","1","","Furukawa, Shunsuke; Haga, Shunsuke; Kobayashi, Junji; Kawashima, Takayuki","Synthesis of π-Extended Dibenzophospholes by Intramolecular Radical Cyclization and Their Properties.","Organic letters","2014","16","12","3228","3231","10.1021/ol501189u","","","0.7107","MoKa","","0.0446","0.0374","","","0.1053","0.1117","","","","","","1.038","","","","has coordinates","275203","2022-05-07","03:31:49",""
"1516501","7.4232","0.0001","16.138","0.0001","16.7378","0.0001","90","","90","","90","","2005.11","0.03","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C92 H92 N4 O24 -","4","1","","Xiao, You-Cai; Yue, Cai-Zhen; Chen, Peng-Qiao; Chen, Ying-Chun","Asymmetric Dearomatic Diels-Alder Reactions of Diverse Heteroarenes via π-System Activation.","Organic letters","2014","16","12","3208","3211","10.1021/ol501217u","","","1.54184","CuKα","","0.0311","0.0295","","","0.0778","0.0792","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516502","11.7724","0.0002","13.4968","0.0003","12.2285","0.0003","90","","110.968","0.002","90","","1814.32","0.07","133","2","133","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C12.5 H17.5 Cl2 N2.5 O3 Ru S3 -","- C12.5 H17.5 Cl2 N2.5 O3 Ru S3 -","- C50 H70 Cl8 N10 O12 Ru4 S12 -","4","2","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","1.54178","CuKα","","0.0238","0.0235","","","0.0634","0.0637","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516503","16.4668","0.0003","19.6645","0.0003","12.6551","0.0003","90","","106.281","0.002","90","","3933.53","0.14","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl2 N2 O7 Ru S3 -","- C13 H18 Cl2 N2 O7 Ru S3 -","- C104 H144 Cl16 N16 O56 Ru8 S24 -","8","2","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","0.71073","MoKα","","0.0362","0.0272","","","0.0567","0.0613","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516504","14.059","0.0002","14.2401","0.0002","15.4559","0.0002","90","","91.983","0.001","90","","3092.44","0.07","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 F12 N6 O3 P2 Ru -","- C27 H22 F12 N6 O3 P2 Ru -","- C108 H88 F48 N24 O12 P8 Ru4 -","4","1","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","1.54178","CuKα","","0.0402","0.0382","","","0.0937","0.0949","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516505","13.5677","0.0007","14.3521","0.0008","15.4809","0.0007","90","","95.869","0.005","90","","2998.7","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl2 F6 N6 O2 P Ru -","- C27 H22 Cl2 F6 N6 O2 P Ru -","- C108 H88 Cl8 F24 N24 O8 P4 Ru4 -","4","1","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","0.71073","MoKα","","0.0643","0.0471","","","0.1198","0.1357","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516506","14.1173","0.0002","15.5837","0.0002","28.1669","0.0005","90","","90","","90","","6196.71","0.16","173","2","173","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C28 H24 Cl2 F6 N6 O3 P Ru -","- C28 H24 Cl2 F6 N6 O3 P Ru -","- C224 H192 Cl16 F48 N48 O24 P8 Ru8 -","8","1","","Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen","Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence","Chemical Science","2014","5","10","3883","","10.1039/C4SC01185F","","","1.54178","CuKα","","0.0555","0.0482","","","0.1333","0.1407","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516507","7.4597","0.0011","7.4597","0.0011","14.293","0.004","90","","90","","120","","688.8","0.2","300","","300","","","","","","","","","6","P 63/m","-P 6c","176","lanthanum(III) hexacyanidocobaltate(III) pentahydrate","lanthanum(III) hexacyanidocobaltate(III) pentahydrate","","- C6 H10 Co La N6 O5 -","- C6 H10.0002 Co La N6 O5 -","- C12 H20.0004 Co2 La2 N12 O10 -","2","0.166667","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.85","","","0.1199","0.118","","0.0935","0.0931","0.0927","","","","","","0.9954","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516508","7.3829","0.0008","7.3829","0.0008","13.871","0.002","90","","90","","120","","654.78","0.14","150","2","150","2","","","","","","","","7","P 63/m","-P 6c","176","potassium lanthanum(III) hexacyanidoferrate(II) tetrahydrate","potassium lanthanum(III) hexacyanidoferrate(II) tetrahydrate","","- C6 H8 Fe K La N6 O4 -","- C6 H6 Fe K La N6 O4 -","- C12 H12 Fe2 K2 La2 N12 O8 -","2","0.166667","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0156","0.0145","","","0.0621","0.0659","","","","","","0.615","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516509","7.1852","0.001","7.1852","0.001","12.238","0.004","90","","90","","120","","547.2","0.2","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","potassium lanthanum(III) hexacyanidoferrate(II)","potassium lanthanum(III) hexacyanidoferrate(II)","","- C6 Fe K La N6 -","- C6 Fe K La N6 -","- C12 Fe2 K2 La2 N12 -","2","0.166667","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.1053","0.1006","","","0.2426","0.2446","","","","","","1.434","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516510","7.431","0.007","12.815","0.011","14.298","0.013","90","","90","","90","","1362","2","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","praseodymium(III) hexacyanidocobaltate(III) tetrahemihydrate","praseodymium(III) hexacyanidocobaltate(III) tetrahemihydrate","","- C6 H9 Co N6 O4.5 Pr -","- C6 Co N6 O4.5 Pr -","- C24 Co4 N24 O18 Pr4 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0787","0.0733","","","0.1836","0.1885","","","","","","1.123","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516511","7.523","0.008","13.117","0.014","14.476","0.015","90","","90","","90","","1428","3","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","praseodymium(III) hexacyanidoferrate(III) tetrahemihydrate","praseodymium(III) hexacyanidoferrate(III) tetrahemihydrate","","- C6 H9 Fe N6 O4.5 Pr -","- C6 Fe N6 O4.5 Pr -","- C24 Fe4 N24 O18 Pr4 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0812","0.0733","","","0.1803","0.1869","","","","","","1.096","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516512","7.375","0.004","12.742","0.006","13.653","0.007","90","","90","","90","","1283","1.1","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","samarium(III) hexacyanidocobaltate(III) tetrahydrate","samarium(III) hexacyanidocobaltate(III) tetrahydrate","","- C6 H8 Co N6 O4 Sm -","- C6 Co N6 O4 Sm -","- C24 Co4 N24 O16 Sm4 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.035","0.0348","","","0.0858","0.0859","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516513","7.3394","0.0012","12.75","0.002","13.617","0.002","90","","90","","90","","1274.2","0.3","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","europium(III) hexacyanidocobaltate(III) tetrahydrate","europium(III) hexacyanidocobaltate(III) tetrahydrate","","- C6 H8 Co Eu N6 O4 -","- C6 Co Eu N6 O4 -","- C24 Co4 Eu4 N24 O16 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.037","0.0368","","","0.1009","0.101","","","","","","1.193","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516514","7.242","0.003","12.578","0.005","13.361","0.005","90","","90","","90","","1217.1","0.8","150","2","150","2","","","","","","","","7","C m c m","-C 2c 2","63","sodium lutetium(III) hexacyanidoferrate(II) trihydrate","sodium lutetium(III) hexacyanidoferrate(II) trihydrate","","- C6 H6 Fe Lu N6 Na O3 -","- C6 Fe Lu N6 Na O3 -","- C24 Fe4 Lu4 N24 Na4 O12 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0549","0.0542","","","0.1306","0.1317","","","","","","1.31","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516515","7.2338","0.0005","7.2338","0.0005","14.2923","0.0009","90","","90","","120","","647.69","0.08","150","2","150","2","","","","","","","","7","P 63/m","-P 6c","176","lithium lanthanum(III) hexacyanidoferrate(II) tetrahydrate","lithium lanthanum(III) hexacyanidoferrate(II) tetrahydrate","","- C6 H8 Fe La Li N6 O4 -","- C6 Fe La Li N6 O4 -","- C12 Fe2 La2 Li2 N12 O8 -","2","0.166667","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0465","0.0461","","","0.1414","0.1417","","","","","","1.281","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516516","7.2309","0.0007","12.5358","0.0012","13.2519","0.0013","90","","90","","90","","1201.2","0.2","150","2","150","2","","","","","","","","7","C m c m","-C 2c 2","63","lithium lutetium(III) hexacyanidoferrate(II) trihydrate","lithium lutetium(III) hexacyanidoferrate(II) trihydrate","","- C6 H6 Fe Li Lu N6 O3 -","- C6 Fe Li Lu N6 O2.58 -","- C24 Fe4 Li4 Lu4 N24 O10.32 -","4","0.25","","Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J.","Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5)","Chemical Science","2014","5","9","3409","","10.1039/C4SC00809J","","","0.71073","MoKα","","0.0538","0.0529","","","0.1421","0.1427","","","","","","1.285","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516517","10.2481","0.0016","10.1664","0.0017","12.1731","0.0019","90","","93.195","0.003","90","","1266.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Zhang, Zhi-Jing; Quan, Xue-Jing; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui","A Facile BPO-Mediated ortho-Hydroxylation and Benzoylation of N-Alkyl Anilines for Synthesis of 2-Benzamidophenols.","Organic letters","2014","16","12","3292","3295","10.1021/ol501293c","","","0.71073","MoKα","","0.0522","0.0414","","","0.1178","0.1273","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516518","8.226","0.0013","11.711","0.0018","13.239","0.002","90","","106.88","0.003","90","","1220.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Zhang, Zhi-Jing; Quan, Xue-Jing; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui","A Facile BPO-Mediated ortho-Hydroxylation and Benzoylation of N-Alkyl Anilines for Synthesis of 2-Benzamidophenols.","Organic letters","2014","16","12","3292","3295","10.1021/ol501293c","","","0.71073","MoKα","","0.0675","0.0473","","","0.1185","0.1348","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516519","10.838","0.005","11.225","0.005","13.268","0.006","90","","107.879","0.007","90","","1536.2","1.2","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","2","","Manin, Alex N.; Voronin, Alexander P.; Manin, Nikolay G.; Vener, Mikhail V.; Shishkina, Anastasia V.; Lermontov, Anatoly S.; Perlovich, German L.","Salicylamide cocrystals: screening, crystal structure, sublimation thermodynamics, dissolution, and solid-state DFT calculations.","The journal of physical chemistry. B","2014","118","24","6803","6814","10.1021/jp5032898","","","0.71073","MoKα","","0.0746","0.0477","","","0.1132","0.1237","","","","","","0.917","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516520","12.2189","0.0009","13.6109","0.0009","15.9826","0.0011","90","","102.501","0.005","90","","2595.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cr F3 N4 O5 -","- C27 H26 Cr F3 N4 O5 -","- C108 H104 Cr4 F12 N16 O20 -","4","1","","Elmas, Sait; Subhani, Muhammad A.; Harrer, Marcus; Leitner, Walter; Sundermeyer, Jörg; Müller, Thomas E.","Highly active Cr(iii) catalysts for the reaction of CO2 with epoxides","Catalysis Science & Technology","2014","4","6","1652","","10.1039/c3cy01087b","","","0.71069","MoKα","","0.1607","0.0437","","","0.0743","0.1002","","","","","","0.718","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516521","9.8802","0.0004","14.1274","0.0004","19.4439","0.0009","90","","94.197","0.003","90","","2706.73","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Cl Cr N5 O4 -","- C28 H33 Cl Cr N5 O4 -","- C112 H132 Cl4 Cr4 N20 O16 -","4","1","","Elmas, Sait; Subhani, Muhammad A.; Harrer, Marcus; Leitner, Walter; Sundermeyer, Jörg; Müller, Thomas E.","Highly active Cr(iii) catalysts for the reaction of CO2 with epoxides","Catalysis Science & Technology","2014","4","6","1652","","10.1039/c3cy01087b","","","0.71069","MoKα","","0.0751","0.0452","","","0.1144","0.1222","","","","","","0.89","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516522","7.495","0.0006","10.4454","0.0009","35.197","0.003","90","","90","","90","","2755.5","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O5 -","- C26 H31 N O5 -","- C104 H124 N4 O20 -","4","1","","Letort, Aurélien; Aouzal, Rémi; Ma, Cong; Long, De-Liang; Prunet, Joëlle","Highly efficient synthesis of the tricyclic core of taxol by cascade metathesis.","Organic letters","2014","16","12","3300","3303","10.1021/ol501304j","","","0.71073","MoKα","","0.1565","0.1164","","","0.2886","0.3085","","","","","","1.054","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1516523","6.546","0.003","12.058","0.006","8.846","0.005","90","","97.94","0.03","90","","691.5","0.6","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,5S,E)-1-but-2-enoyl-3,4-dimethyl-5-phenylimidazolidin-2-one","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones.","Organic letters","2014","16","12","3348","3351","10.1021/ol5013789","","","0.71075","MoKα","","0.0526","0.0358","","","0.0784","0.0828","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516524","8.9315","0.0015","9.1942","0.0012","21.867","0.003","90","","90","","90","","1795.7","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-3'-phenyl-10,11-dihydro-3'H-spiro[dibenzo[a,d][7]annulene-5,2'-furan]-5'(4'H)-one","","- C24 H20 O2 -","- C24 H20 O2 -","- C96 H80 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones.","Organic letters","2014","16","12","3348","3351","10.1021/ol5013789","","","0.71075","MoKα","","0.062","0.0382","","","0.0679","0.0722","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516525","8.284","0.005","13.944","0.006","23.978","0.013","90","","90","","90","","2770","3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5S)-1-((R)-3-(5-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)- 3-phenylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one","","- C35 H34 N2 O3 -","- C35 H34 N2 O3 -","- C140 H136 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones.","Organic letters","2014","16","12","3348","3351","10.1021/ol5013789","","","0.71075","MoKα","","0.1001","0.0619","","","0.1543","0.1788","","","","","","0.946","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516526","6.63","0.018","8.27","0.02","22.07","0.1","89.6","0.3","87.7","0.3","80","0.2","1191","7","298","2","298","2","","","","","","","","4","P 1","P 1","1","","(4R,5S)-1-((S)-4-hydroxy-3-methyl-4,4-diphenylbutanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C56 H60 N4 O6 -","2","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones.","Organic letters","2014","16","12","3348","3351","10.1021/ol5013789","","","0.71075","MoKα","","0.0682","0.0448","","","0.1019","0.1095","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516527","7.297","0.002","12.192","0.004","19.971","0.006","90","","94.898","0.004","90","","1770.2","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Patel, Pitambar; Chang, Sukbok","N-substituted hydroxylamines as synthetically versatile amino sources in the iridium-catalyzed mild C-h amidation reaction.","Organic letters","2014","16","12","3328","3331","10.1021/ol501338h","","","0.71073","MoKα","","0.0943","0.0708","","","0.2269","0.2463","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516528","16.479","0.0008","8.855","0.0004","17.7803","0.0009","90","","103.143","0.002","90","","2526.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 F3 Ir N O4 -","- C26 H29 F3 Ir N O4 -","- C104 H116 F12 Ir4 N4 O16 -","4","1","","Patel, Pitambar; Chang, Sukbok","N-substituted hydroxylamines as synthetically versatile amino sources in the iridium-catalyzed mild C-h amidation reaction.","Organic letters","2014","16","12","3328","3331","10.1021/ol501338h","","","0.71073","MoKα","","0.0334","0.0252","","","0.0587","0.063","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516529","9.508","0.0004","10.4245","0.0004","17.1939","0.0007","90","","98.397","0.0017","90","","1685.92","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Patel, Pitambar; Chang, Sukbok","N-substituted hydroxylamines as synthetically versatile amino sources in the iridium-catalyzed mild C-h amidation reaction.","Organic letters","2014","16","12","3328","3331","10.1021/ol501338h","","","0.71073","MoKα","","0.0411","0.0382","","","0.1002","0.103","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516530","10.795","0.005","12.323","0.005","13.68","0.005","79.363","0.005","87.377","0.005","88.428","0.005","1786.3","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Complex 2a","","","- C39 H55 F N3 Nb -","- C39 H55 F N3 Nb -","- C78 H110 F2 N6 Nb2 -","2","1","","Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John","Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination","Chemical Science","2014","5","6","2517","","10.1039/c4sc00006d","","","0.71069","MoKα","","0.024","0.0224","","","0.0576","0.0587","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516531","10.8194","0.001","12.3148","0.0012","13.7249","0.0013","79.695","0.006","87.396","0.006","88.376","0.006","1797","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Complex 2c","","","- C39 H53 F2 N3 Nb -","- C39 H53 F2 N3 Nb -","- C78 H106 F4 N6 Nb2 -","2","1","","Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John","Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination","Chemical Science","2014","5","6","2517","","10.1039/c4sc00006d","","","0.71073","MoKα","","0.0677","0.0445","","","0.0746","0.0829","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516532","10.9151","0.0004","12.301","0.0004","13.7072","0.0005","79.714","0.002","87.243","0.002","88.804","0.002","1808.6","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Complex 2d","","","- C39 H54 F2 N3 Nb -","- C39 H54 F2 N3 Nb -","- C78 H108 F4 N6 Nb2 -","2","1","","Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John","Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination","Chemical Science","2014","5","6","2517","","10.1039/c4sc00006d","","","0.71073","MoKα","","0.0371","0.0302","","","0.0672","0.0702","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516533","12.7898","0.0005","11.5223","0.0004","24.9612","0.0009","90","","91.217","0.001","90","","3677.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Complex h","","","- C39 H52 F4 N3 Nb -","- C39 H52 F4 N3 Nb -","- C156 H208 F16 N12 Nb4 -","4","1","","Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John","Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination","Chemical Science","2014","5","6","2517","","10.1039/c4sc00006d","","","0.71073","MoKα","","0.0522","0.0368","","","0.0862","0.0929","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516534","11.473","0.0004","12.9171","0.0004","14.4931","0.0004","113.07","0.008","100.094","0.007","90.982","0.006","1936.74","0.17","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cl2 Fe2 N6 O18 -","- C30 H40 Cl2 Fe2 N6 O18 -","- C60 H80 Cl4 Fe4 N12 O36 -","2","1","","Kodera, Masahito; Tsuji, Tomokazu; Yasunaga, Tomohiro; Kawahara, Yuka; Hirano, Tomoya; Hitomi, Yutaka; Nomura, Takashi; Ogura, Takashi; Kobayashi, Yoshio; Sajith, P. K.; Shiota, Yoshihito; Yoshizawa, Kazunari","Roles of carboxylate donors in O‒O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand","Chemical Science","2014","5","6","2282","","10.1039/c3sc51541a","","","0.71075","MoKα","","","0.0281","","","","0.0757","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516535","11.5827","0.0003","13.4954","0.0003","14.5372","0.0003","114.729","0.008","99.954","0.007","90.485","0.006","2024.6","0.17","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H38 F6 Fe2 N6 O15 S2 -","- C32 H38 F6 Fe2 N6 O15 S2 -","- C64 H76 F12 Fe4 N12 O30 S4 -","2","1","","Kodera, Masahito; Tsuji, Tomokazu; Yasunaga, Tomohiro; Kawahara, Yuka; Hirano, Tomoya; Hitomi, Yutaka; Nomura, Takashi; Ogura, Takashi; Kobayashi, Yoshio; Sajith, P. K.; Shiota, Yoshihito; Yoshizawa, Kazunari","Roles of carboxylate donors in O‒O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand","Chemical Science","2014","5","6","2282","","10.1039/c3sc51541a","","","0.71075","MoKα","","","0.0257","","","","0.0814","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516536","20.78","0.002","34.908","0.004","14.4254","0.0015","90","","90","","90","","10464","1.9","100","2","100","2","","","","","","","","6","P b a n :2","-P 2ab 2b","50","avm02","","","- C236 H212 N20 O66 S4 Zn16 -","- C236 H172 N20 O66 S4 Zn16 -","- C236 H172 N20 O66 S4 Zn16 -","1","0.125","","Mossine, Andrew V.; Mayhan, Collin M.; Fowler, Drew A.; Teat, Simon J.; Deakyne, Carol A.; Atwood, Jerry L.","Zinc-seamed pyrogallol[4]arene dimers as structural components in a two-dimensional MOF","Chemical Science","2014","5","6","2297","","10.1039/c4sc00462k","","","0.7749","synchrotron","","0.1359","0.0991","","","0.3217","0.3569","","","","","","1.39","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516537","11.9954","0.0001","11.9954","0.0001","13.9537","0.0003","90","","90","","90","","2007.79","0.05","123","1","123","1","","","","","","","see text","4","I -4","I -4","82","","","","- C40 H60 Cr4 P4 -","- C40 H60 Cr4 P4 -","- C80 H120 Cr8 P8 -","2","0.25","","Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A.","Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide","Chemical Science","2014","5","6","2443","","10.1039/c4sc00666f","","x-ray","1.54178","CuKα","","0.0363","0.0356","","","0.0922","0.0929","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516538","15.3898","0.0003","18.4053","0.0003","21.8004","0.0004","90","","90","","90","","6175.05","0.19","123","1","123","1","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C30 H45 As2 Cr3 -","- C30 H45 As2 Cr3 -","- C240 H360 As16 Cr24 -","8","1","","Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A.","Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide","Chemical Science","2014","5","6","2443","","10.1039/c4sc00666f","","x-ray","1.54178","CuKα","","0.0284","0.028","","","0.0754","0.0757","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516539","14.595","0.005","9.371","0.003","15.859","0.004","90","","114.51","0.016","90","","1973.6","1.1","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N3 O6 P Ru -","- C18 H24 N3 O6 P Ru -","- C72 H96 N12 O24 P4 Ru4 -","4","1","","Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J.","Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics","Chemical Science","2014","5","6","2536","","10.1039/c4sc00116h","","","0.71073","MoKα","","0.0868","0.0715","","","0.1986","0.2253","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516540","11.58624","0.00012","15.39855","0.00014","13.23391","0.00014","90","","98.3744","0.001","90","","2335.9","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 N4 O5 P Ru -","- C21 H31 N4 O5 P Ru -","- C84 H124 N16 O20 P4 Ru4 -","4","1","","Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J.","Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics","Chemical Science","2014","5","6","2536","","10.1039/c4sc00116h","","","1.54178","CuKα","","0.0261","0.0254","","","0.069","0.0695","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516541","9.8881","0.0008","12.5811","0.0009","12.6829","0.001","72.028","0.007","67.58","0.007","67.069","0.007","1319.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H68 N8 O14 P2 Ru2 -","- C50 H68 N8 O14 P2 Ru2 -","- C50 H68 N8 O14 P2 Ru2 -","1","0.5","","Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J.","Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics","Chemical Science","2014","5","6","2536","","10.1039/c4sc00116h","","","0.71073","MoKα","","0.0639","0.0491","","","0.1154","0.1246","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516542","13.7555","0.0004","14.6826","0.0005","16.8467","0.0004","70.736","0.003","76.491","0.002","64.286","0.003","2877.47","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 N8 O11 P2 Ru2 -","- C50 H62 N8 O11 P2 Ru2 -","- C100 H124 N16 O22 P4 Ru4 -","2","1","","Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J.","Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics","Chemical Science","2014","5","6","2536","","10.1039/c4sc00116h","","","1.54178","CuKα","","0.0344","0.0323","","","0.0821","0.083","","","","","","1.127","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516543","14.111","0.003","17.412","0.003","15.429","0.003","90","","90.833","0.004","90","","3790.5","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Cl Ir N2 -","- C19 H28 Cl Ir N2 -","- C152 H224 Cl8 Ir8 N16 -","8","2","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0785","0.0468","","","0.0682","0.0758","","","","","","0.848","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516544","7.6461","0.0017","8.621","0.002","27.688","0.006","90","","92.184","0.004","90","","1823.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Cl Ir N S -","- C18 H25 Cl Ir N S -","- C72 H100 Cl4 Ir4 N4 S4 -","4","1","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0406","0.0318","","","0.0571","0.0598","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516545","10.73","0.002","14.462","0.003","16.791","0.004","90","","104.557","0.003","90","","2521.9","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl3 Ir N S -","- C24 H29 Cl3 Ir N S -","- C96 H116 Cl12 Ir4 N4 S4 -","4","1","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0456","0.0397","","","0.0971","0.0995","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516546","12.207","0.005","25.172","0.011","13.887","0.006","90","","108.18","0.008","90","","4054","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 Cl Ir N -","- C22 H29 Cl Ir N -","- C176 H232 Cl8 Ir8 N8 -","8","2","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0587","0.0389","","","0.0638","0.0679","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516547","8.1332","0.0016","27.444","0.005","17.333","0.003","90","","95.18","0.004","90","","3853.1","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl Ir N -","- C20 H27 Cl Ir N -","- C160 H216 Cl8 Ir8 N8 -","8","2","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0569","0.0403","","","0.0698","0.0739","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516548","7.5951","0.0016","8.5873","0.0019","28.051","0.006","90","","92.441","0.004","90","","1827.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Cl N Rh S -","- C18 H25 Cl N Rh S -","- C72 H100 Cl4 N4 Rh4 S4 -","4","1","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0712","0.0464","","","0.0736","0.08","","","","","","0.89","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516549","10.631","0.003","14.413","0.004","16.681","0.004","90","","104.834","0.005","90","","2470.8","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl3 N Rh S -","- C24 H29 Cl3 N Rh S -","- C96 H116 Cl12 N4 Rh4 S4 -","4","1","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0928","0.0517","","","0.079","0.0878","","","","","","0.903","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516550","12.211","0.003","25.326","0.005","13.879","0.003","90","","108.751","0.004","90","","4064.4","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 Cl N Rh -","- C22 H29 Cl N Rh -","- C176 H232 Cl8 N8 Rh8 -","8","2","","Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara","Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh","Chemical Science","2014","5","6","2340","","10.1039/c4sc00738g","","","0.71073","MoKα","","0.0579","0.0402","","","0.0736","0.0783","","","","","","0.951","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516551","11.904","0.007","12.224","0.007","13.994","0.008","107.153","0.001","110.035","0.001","103.564","0.001","1695.5","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H40 B2 F8 Fe N6 O5 -","- C31 H32 B2 F8 Fe N6 O3 -","- C62 H64 B4 F16 Fe2 N12 O6 -","2","1","","Jeon, Ie-Rang; Park, Jesse G.; Haney, Chad R.; Harris, T. David","Spin crossover iron(ii) complexes as PARACEST MRI thermometers","Chemical Science","2014","5","6","2461","","10.1039/c4sc00396a","","","0.71073","MoKα","","0.0541","0.0444","","","0.1101","0.1148","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516552","13.2199","0.0001","34.9437","0.0002","18.4595","0.0001","90","","105.914","0.0002","90","","8200.57","0.09","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[Ir(PCy3)2(H)2(AB)][BArCl4]","","- C69.8 H92.54 B2 Cl8 F3.27 Ir N P2 -","- C69.804 H92.536 B2 Cl8 F3.268 Ir N P2 -","- C279.216 H370.144 B8 Cl32 F13.072 Ir4 N4 P8 -","4","1","","Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A.","Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation","Chemical Science","2014","5","6","2546","","10.1039/c4sc00735b","","","0.71073","MoKα","","0.0613","0.0553","","0.1389","0.1376","0.1389","","","","","","1.0845","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516553","16.435","0.003","17.3","0.004","20.951","0.004","90","","90","","90","","5957","2","150","2","150","2","","","","","","","","6","P 21 2 21","P 2ac 2ac","18","","","","- C112.5 H163 B2 F25 Ir2 P4 -","- C110 H157 B2 F25 Ir2 P4 -","- C220 H314 B4 F50 Ir4 P8 -","2","0.5","","Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A.","Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation","Chemical Science","2014","5","6","2546","","10.1039/c4sc00735b","","","0.71073","MoKα","","0.0451","0.034","","","0.0863","0.0927","","","","","","0.935","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516554","12.7377","0.0001","12.8491","0.0001","25.1406","0.0002","99.5231","0.0004","98.255","0.0003","95.4001","0.0003","3986.57","0.05","150","","150","","","","","","","","","7","P -1","-P 1","2","","[IrH2PCy3-trimer][BArCl]","","- C70 H118 B4 Cl8 Ir N3 P2 -","- C70 H118 B4 Cl8 Ir N3 P2 -","- C140 H236 B8 Cl16 Ir2 N6 P4 -","2","1","","Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A.","Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation","Chemical Science","2014","5","6","2546","","10.1039/c4sc00735b","","","0.71073","MoKα","","0.0438","0.0353","","0.0795","0.0763","0.0795","","","","","","1.0098","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516555","16.5774","0.0007","16.5774","0.0007","10.5446","0.0005","90","","90","","120","","2509.54","0.19","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C15 H23 B Mn O3 P -","- C15 H23 B Mn O3 P -","- C90 H138 B6 Mn6 O18 P6 -","6","0.5","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0491","0.0424","","","0.1013","0.105","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516556","24.302","0.002","7.8695","0.0007","21.291","0.002","90","","115.979","0.007","90","","3660.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 B Mn N2 O2 -","- C18 H24 B Mn N2 O2 -","- C144 H192 B8 Mn8 N16 O16 -","8","2","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0619","0.047","","","0.1011","0.1056","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516557","21.1662","0.0011","7.9276","0.0011","21.8218","0.0004","90","","90","","90","","3661.6","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H24 B Mn N2 O2 -","- C18.002 H24.0045 B1.0005 Mn N2 O2 -","- C144.016 H192.036 B8.004 Mn8 N16 O16 -","8","2","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0459","0.0413","","","0.1033","0.1056","","","","","","1.115","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516558","24.5671","0.0014","8.1978","0.0005","18.4064","0.001","90","","111.169","0.002","90","","3456.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H23 B Mn N O2 -","- C18 H23 B Mn N O2 -","- C144 H184 B8 Mn8 N8 O16 -","8","1","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0316","0.0282","","","0.0756","0.0776","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516559","14.4606","0.0011","12.5027","0.0009","18.2085","0.0013","90","","93.815","0.003","90","","3284.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 B Mn N2 O2 -","- C16 H22 B Mn N2 O2 -","- C128 H176 B8 Mn8 N16 O16 -","8","2","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0955","0.0745","","","0.1758","0.1857","","","","","","1.206","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516560","15.2676","0.0007","8.5852","0.0004","15.8554","0.0007","90","","113.848","0.001","90","","1900.81","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H100 B4 Mn4 N8 O8 -","- C76 H100 B4 Mn4 N8 O8 -","- C76 H100 B4 Mn4 N8 O8 -","1","0.25","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0302","0.0279","","","0.07","0.0718","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516561","13.024","0.008","9.225","0.004","19.975","0.009","90","","90","","90","","2400","2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H32 B Mn N2 O3 -","- C26 H32 B Mn N2 O3 -","- C104 H128 B4 Mn4 N8 O12 -","4","0.5","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0507","0.0444","","","0.1116","0.1156","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516562","14.3661","0.0007","12.0848","0.0006","18.962","0.0009","90","","90","","90","","3292","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H29 B N2 -","- C15 H29 B N2 -","- C120 H232 B8 N16 -","8","1","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0694","0.0559","","","0.144","0.1541","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516563","17.7553","0.0006","4.9562","0.0002","13.1145","0.0004","90","","95.52","0.002","90","","1148.71","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F N O2 -","- C14 H12 F N O2 -","- C56 H48 F4 N4 O8 -","4","1","","Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter","Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","6","2422","2427","10.1039/C4SC00697F","","","1.54178","CuKα","","0.0475","0.0358","","","0.0844","0.0907","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516564","24.8585","0.0005","24.8585","0.0005","16.8633","0.0003","90","","90","","120","","9024.5","0.3","228","2","228","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H15 F5 N2 O3 -","- C20 H15 F5 N2 O3 -","- C360 H270 F90 N36 O54 -","18","1","","Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter","Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","6","2422","2427","10.1039/C4SC00697F","","","1.54178","CuKα","","0.0585","0.0428","","","0.1095","0.1229","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516565","13.3371","0.0004","19.9237","0.0006","34.7236","0.001","90","","90","","90","","9226.9","0.5","100","2","99.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H70 N O4 P -","- C52 H70 N O4 P -","- C416 H560 N8 O32 P8 -","8","2","","Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A.","Catalytic enantioselective synthesis of 2-aryl-chromenes","Chemical Science","2014","5","6","2277","","10.1039/c4sc00423j","","","1.54178","CuKα","","0.0357","0.0349","","","0.0937","0.0948","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516566","12.2225","0.0002","20.8872","0.0003","21.6966","0.0003","90","","90","","90","","5539.01","0.14","100","2","100.08","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C60 H69 B Cl2 F4 N O4 P Pd -","- C60 H69 B Cl2 F4 N O4 P Pd -","- C240 H276 B4 Cl8 F16 N4 O16 P4 Pd4 -","4","1","","Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A.","Catalytic enantioselective synthesis of 2-aryl-chromenes","Chemical Science","2014","5","6","2277","","10.1039/c4sc00423j","","","1.54178","CuKα","","0.0253","0.0234","","","0.052","0.0526","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516567","16.2647","0.0005","14.5206","0.0005","9.6475","0.0003","90","","90","","90","","2278.48","0.13","270","","270","","","","","","","","","5","P b a n","-P 2ab 2b","50","NO2-DMOF","","","- C22 H18 N4 O12 Zn2 -","- C22 H16 N4 O12 Zn2 -","- C44 H32 N8 O24 Zn4 -","2","","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.0704","0.0627","","","0.2025","0.2116","","","","","","1.16","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516568","15.25553","0.00012","15.25553","0.00012","19.3129","0.0002","90","","90","","90","","4494.71","0.07","250","","250","","","","","","","","","5","I 4/m c m","-I 4 2c","140","NO2-DMOF_dmso","","","- C22 H18 N4 O12 Zn2 -","- C22 H16 N4 O12 Zn2 -","- C88 H64 N16 O48 Zn8 -","4","0.125","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.0615","0.0606","","","0.1995","0.2012","","","","","","1.162","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516569","10.94325","0.00007","10.94325","0.00007","9.67577","0.0001","90","","90","","90","","1158.72","0.016","250","","250","","","","","","","","","5","P 4/m m m","-P 4 2","123","NO2-DMOF_mesitylen","","","- C22 H18 N4 O12 Zn2 -","- C22 H12 N4 O12 Zn2 -","- C22 H12 N4 O12 Zn2 -","1","0.0625","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.047","0.047","","","0.1619","0.1619","","","","","","1.312","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516570","10.90313","0.00018","10.90313","0.00018","9.649","0.0003","90","","90","","90","","1147.06","0.04","290","","290","","","","","","","","","5","P 4/m m m","-P 4 2","123","NO2-DMOF_toluene","","","- C22 H18 N4 O12 Zn2 -","- C22 H12 N4 O12 Zn2 -","- C22 H12 N4 O12 Zn2 -","1","0.0625","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.0548","0.0544","","","0.1607","0.1615","","","","","","1.153","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516571","15.0609","0.0008","15.0609","0.0008","19.2433","0.0013","90","","90","","90","","4365","0.4","270","0.14","270","0.14","","","","","","","","5","I 4/m c m","-I 4 2c","140","DMOF","","","- C34 H48 N6 O12 Zn2 -","- C34 H44 N6 O12 Zn2 -","- C136 H176 N24 O48 Zn8 -","4","0.125","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","0.7107","MoKα","","0.0844","0.0568","","","0.1558","0.1811","","","","","","1.114","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516572","15.4195","0.0004","15.4195","0.0004","9.6416","0.0004","90","","90","","90","","2292.4","0.13","290","1","290","1","","","","","","","","5","P 4/m b m","-P 4 2ab","127","ndc-DMOF","","","- C30 H24 N2 O8 Zn2 -","- C30 H24 N2 O8 Zn2 -","- C60 H48 N4 O16 Zn4 -","2","0.125","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","0.7107","MoKα","","0.0622","0.0407","","","0.1598","0.1704","","","","","","1.232","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516573","16.3684","0.0004","14.4237","0.0003","9.6406","0.0002","90","","90","","90","","2276.08","0.09","270","2","270.15","","","","","","","","","6","P b a n","-P 2ab 2b","50","Br-DMOF","","","- C22 H18 Br2 N2 O8 Zn2 -","- C22 H18 Br2 N2 O8 Zn2 -","- C44 H36 Br4 N4 O16 Zn4 -","2","","","Henke, Sebastian; Li, Wei; Cheetham, Anthony K.","Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study","Chemical Science","2014","5","6","2392","","10.1039/c4sc00497c","","","1.5418","CuKα","","0.0594","0.0554","","","0.1571","0.1612","","","","","","1.123","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516574","7.7904","0.0014","14.7","0.003","19.469","0.003","90","","90","","90","","2229.6","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 I N3 O4 S -","- C22 H18 I N3 O4 S -","- C88 H72 I4 N12 O16 S4 -","4","1","","Tripathi, Chandra Bhushan; Mukherjee, Santanu","Catalytic enantioselective iodoaminocyclization of hydrazones.","Organic letters","2014","16","12","3368","3371","10.1021/ol5013982","","","0.71073","MoKα","","0.0973","0.0455","","","0.0901","0.1061","","","","","","0.935","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516575","16.6243","0.0005","16.8939","0.0005","17.7667","0.0007","110.65","0.0011","107.187","0.0012","106.29","0.002","4026.5","0.3","150","","150","","","","","","","","","9","P -1","-P 1","2","","[Rh(XantPhos)(H2BCH2CH2SiME3NMe3)][BArF4]","","- C79 H68 B2 F24 N O P2 Rh Si -","- C79 H68 B2 F24 N O P2 Rh Si -","- C158 H136 B4 F48 N2 O2 P4 Rh2 Si2 -","2","1","","Johnson, Heather C.; Torry-Harris, Rebecca; Ortega, Laura; Theron, Robin; McIndoe, J. Scott; Weller, Andrew S.","Exploring the mechanism of the hydroboration of alkenes by amine‒boranes catalysed by [Rh(xantphos)]+","Catal. Sci. Technol.","2014","4","10","3486","","10.1039/C4CY00597J","","","0.71073","MoKα","","0.1182","0.086","","0.2043","0.1973","0.2043","","","","","","0.9482","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516576","12.9076","0.0001","17.803","0.0002","19.959","0.0003","87.9991","0.0005","74.6948","0.0005","87.0039","0.0006","4416.68","0.09","150","","150","","","","","","","","","7","P -1","-P 1","2","","[Rh(Xantphos)(PCy3)][BArF4]","","- C89 H77 B F24 O P3 Rh -","- C89 H77 B F24 O P3 Rh -","- C178 H154 B2 F48 O2 P6 Rh2 -","2","1","","Johnson, Heather C.; Torry-Harris, Rebecca; Ortega, Laura; Theron, Robin; McIndoe, J. Scott; Weller, Andrew S.","Exploring the mechanism of the hydroboration of alkenes by amine‒boranes catalysed by [Rh(xantphos)]+","Catal. Sci. Technol.","2014","4","10","3486","","10.1039/C4CY00597J","","","0.71073","MoKα","","0.0857","0.051","","0.1393","0.1339","0.1393","","","","","","0.9426","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516579","6.6422","0.0006","8.0514","0.0007","20.8031","0.0017","89.74","0.007","87.881","0.007","83.068","0.007","1103.64","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 N2 O4 S2 -","- C22 H25 N2 O4 S2 -","- C44 H50 N4 O8 S4 -","2","1","","Zhang, Jie; Shao, Ying; Wang, Hongxiang; Luo, Qiang; Chen, Jijun; Xu, Dongmei; Wan, Xiaobing","Dual Roles of Sulfonyl Hydrazides: A Three-Component Reaction To Construct Fully Substituted Pyrazoles Using TBAI/TBHP.","Organic letters","2014","16","12","3312","3315","10.1021/ol501312s","","","0.71073","MoKα","","0.0687","0.0529","","","0.1178","0.1251","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516580","12.0564","0.0009","12.1122","0.0009","12.1107","0.0009","90","","110.407","0.001","90","","1657.5","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 S2 -","- C24 H12 S2 -","- C96 H48 S8 -","4","1","","Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C.","Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties.","Organic letters","2014","16","12","3252","3255","10.1021/ol501267z","","","0.71073","MoKα","","0.0898","0.0875","","","0.2154","0.2225","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516581","12.7769","0.0007","20.4663","0.001","16.3532","0.0009","90","","109.347","0.001","90","","4034.8","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 Se4 -","- C24 H12 Se4 -","- C192 H96 Se32 -","8","2","","Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C.","Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties.","Organic letters","2014","16","12","3252","3255","10.1021/ol501267z","","","0.71073","MoKα","","0.0574","0.0346","","","0.0809","0.0926","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516582","10.4127","0.0005","18.6669","0.0009","13.9771","0.0007","90","","107.068","0.001","90","","2597.1","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N2 -","- C38 H26 N2 -","- C152 H104 N8 -","4","1","","Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C.","Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties.","Organic letters","2014","16","12","3252","3255","10.1021/ol501267z","","","0.71073","MoKα","","0.0383","0.0356","","","0.0865","0.0891","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516583","12.3385","0.0012","15.6948","0.0015","3.8193","0.0004","90","","90","","90","","739.61","0.13","173","2","173","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- C24 H8 O2 -","- C24 H8 O2 -","- C48 H16 O4 -","2","0.25","","Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C.","Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties.","Organic letters","2014","16","12","3252","3255","10.1021/ol501267z","","","0.71073","MoKα","","0.0677","0.0614","","","0.1671","0.1747","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516584","28.5952","0.0014","7.5369","0.0003","15.6922","0.0008","90","","90","","90","","3382","0.3","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H12 Se2 -","- C24 H12 Se2 -","- C192 H96 Se16 -","8","1","","Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C.","Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties.","Organic letters","2014","16","12","3252","3255","10.1021/ol501267z","","","0.71073","MoKα","","0.0251","0.0199","","","0.0471","0.0502","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516585","18.0254","0.0013","10.3777","0.0008","12.614","0.0009","90","","101.085","0.001","90","","2315.6","0.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 N2 -","- C36 H22 N2 -","- C144 H88 N8 -","4","0.5","","Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C.","Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties.","Organic letters","2014","16","12","3252","3255","10.1021/ol501267z","","","0.71073","MoKα","","0.047","0.0417","","","0.104","0.1112","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516586","8.0482","0.0004","14.1277","0.0008","15.3665","0.0008","99.073","0.002","94.101","0.003","91.448","0.002","1719.75","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H45 Br N2 O6 Si -","- C34 H45 Br N2 O6 Si -","- C68 H90 Br2 N4 O12 Si2 -","2","1","","Han, Seo-Jung; Vogt, Florian; Krishnan, Shyam; May, Jeremy A.; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","A diastereodivergent synthetic strategy for the syntheses of communesin f and perophoramidine.","Organic letters","2014","16","12","3316","3319","10.1021/ol5013263","","","0.71073","MoKα","","0.0754","0.0402","","","0.0805","0.0892","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516587","9.1581","0.0002","12.6857","0.0003","16.703","0.0003","90","","90","","90","","1940.5","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br N2 O5 -","- C22 H19 Br N2 O5 -","- C88 H76 Br4 N8 O20 -","4","1","","Han, Seo-Jung; Vogt, Florian; Krishnan, Shyam; May, Jeremy A.; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","A diastereodivergent synthetic strategy for the syntheses of communesin f and perophoramidine.","Organic letters","2014","16","12","3316","3319","10.1021/ol5013263","","","0.71073","MoKα","","0.0337","0.0252","","","0.0489","0.05","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1516588","10.4251","0.0006","20.765","0.0012","44.289","0.003","90","","90","","90","","9587.6","1","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H73 N Si Th -","- C47 H73 N Si Th -","- C376 H584 N8 Si8 Th8 -","8","1","","Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study","Chemical Science","2014","5","8","3165","","10.1039/c4sc00576g","","","0.71073","MoKα","","0.0457","0.0324","","","0.0636","0.0664","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516589","16.578","0.003","16.572","0.003","17.515","0.003","90","","97.936","0.003","90","","4765.8","1.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H75 N Si Th -","- C53 H75 N Si Th -","- C212 H300 N4 Si4 Th4 -","4","1","","Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study","Chemical Science","2014","5","8","3165","","10.1039/c4sc00576g","","","0.71073","MoKα","","0.0912","0.051","","","0.1213","0.1463","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516590","10.436","0.002","15.509","0.003","20.314","0.004","92.787","0.003","92.25","0.003","109.072","0.003","3098.4","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H87 N3 Th -","- C54 H87 N3 Th -","- C108 H174 N6 Th2 -","2","1","","Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study","Chemical Science","2014","5","8","3165","","10.1039/c4sc00576g","","","0.71073","MoKα","","0.0851","0.0776","","","0.2236","0.2304","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516591","13.4923","0.0002","13.5958","0.0002","15.0327","0.0002","108.107","0.001","104.82","0.001","90.868","0.001","2520.35","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 Cl2 N8 O6 Zn2 -","- C50 H62 Cl2 N8 O6 Zn2 -","- C100 H124 Cl4 N16 O12 Zn4 -","2","1","","Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide","Polymer Chemistry","2014","5","17","4875","","10.1039/C4PY00528G","","","0.71073","MoKα","","0.0526","0.038","","","0.0956","0.1026","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516592","11.7828","0.0003","14.8129","0.0004","17.4408","0.0005","94.041","0.002","107.638","0.002","95.432","0.002","2872.13","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H116 Co4 N16 O13 -","- C118 H116 Co4 N16 O13 -","- C118 H116 Co4 N16 O13 -","1","0.5","","Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide","Polymer Chemistry","2014","5","17","4875","","10.1039/C4PY00528G","","","0.71073","MoKα","","0.1935","0.0796","","","0.1716","0.2153","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516593","12.0189","0.0003","14.7702","0.0004","14.7768","0.0004","107.972","0.002","96.642","0.002","95.331","0.002","2455.4","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 Cl2 N8 Ni2 O6 -","- C50 H62 Cl2 N8 Ni2 O6 -","- C100 H124 Cl4 N16 Ni4 O12 -","2","1","","Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide","Polymer Chemistry","2014","5","17","4875","","10.1039/C4PY00528G","","","0.71073","MoKα","","0.0846","0.0469","","","0.0979","0.1123","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516594","30.8673","0.0007","14.8514","0.0003","10.3727","0.0002","90","","94.543","0.002","90","","4740.14","0.17","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N4 O -","- C26 H28 N4 O -","- C208 H224 N32 O8 -","8","1","","Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide","Polymer Chemistry","2014","5","17","4875","","10.1039/C4PY00528G","","","1.54184","CuKα","","0.0747","0.0575","","","0.1533","0.1677","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516595","9.9116","0.0002","7.094","0.0001","26.0972","0.0005","90","","94.539","0.001","90","","1829.21","0.06","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-((3S,4aR,5S,6S,7R,8S)-4a,5,6,7,8-pentahydroxy-2,2-dimethyl-7- (3-methylbut-3-en-1-yn-1-yl)octahydro-2H-chromen-3-yl)ethanone","","- C18 H26 O8 -","- C18 H26 O8 -","- C72 H104 O32 -","4","2","","Yurchenko, Anton N.; Smetanina, Olga F.; Kalinovsky, Anatoly I.; Pushilin, Michael A.; Glazunov, Valeriy P.; Khudyakova, Yuliya V.; Kirichuk, Natalya N.; Ermakova, Svetlana P.; Dyshlovoy, Sergey A.; Yurchenko, Ekaterina A.; Afiyatullov, Shamil Sh","Oxirapentyns F-K from the Marine-Sediment-Derived Fungus Isaria felina KMM 4639.","Journal of natural products","2014","77","6","1321","1328","10.1021/np500014m","","x-ray","0.71073","MoKα","","0.0362","0.0317","","","0.0871","0.0906","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516596","9.1403","0.0002","12.3986","0.0003","15.0582","0.0004","90","","90","","90","","1706.5","0.07","292.11","0.1","292.11","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Chen, Jian-Jun; Chen, Chao-Jun; Yao, Xiao-Jun; Jin, Xiao-Jie; Gao, Kun","Eremophilane-Type Sesquiterpenoids with Diverse Skeletons from Ligularia sagitta.","Journal of natural products","2014","77","6","1329","1335","10.1021/np5003302","","","1.5418","CuKα","","0.035","0.0344","","","0.0954","0.0962","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516597","10.8564","0.0004","14.3921","0.0004","18.5751","0.0006","77.707","0.003","84.454","0.003","69.815","0.003","2660.74","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 Br N2 O3 S -","- C30 H25 Br N2 O3 S -","- C120 H100 Br4 N8 O12 S4 -","4","2","","Li, Long; Shu, Chao; Zhou, Bo; Yu, Yong-Fei; Xiao, Xin-Yu; Ye, Long-Wu","Generation of gold carbenes in water: efficient intermolecular trapping of the α-oxo gold carbenoids by indoles and anilines","Chemical Science","2014","5","10","4057","","10.1039/C4SC00983E","","","0.71073","MoKα","","0.0643","0.0468","","","0.1204","0.13","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516598","12.621","0.0006","9.6352","0.0007","21.5566","0.0018","90","","94.967","0.005","90","","2611.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 Br N2 O3 S -","- C29 H27 Br N2 O3 S -","- C116 H108 Br4 N8 O12 S4 -","4","1","","Li, Long; Shu, Chao; Zhou, Bo; Yu, Yong-Fei; Xiao, Xin-Yu; Ye, Long-Wu","Generation of gold carbenes in water: efficient intermolecular trapping of the α-oxo gold carbenoids by indoles and anilines","Chemical Science","2014","5","10","4057","","10.1039/C4SC00983E","","","0.71073","MoKα","","0.1057","0.0623","","","0.1446","0.1724","","","","","","0.88","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516599","8.9952","0.0011","12.0644","0.0013","23.969","0.003","80.621","0.003","83.006","0.004","66.929","0.003","2356.3","0.5","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H72 Cl2 In2 N4 Si8 -","- C24 H72 Cl2 In2 N4 Si8 -","- C48 H144 Cl4 In4 N8 Si16 -","2","1","","Yamashita, Yasuhiro; Saito, Yuki; Imaizumi, Takaki; Kobayashi, Shū","A Lewis acid/metal amide hybrid as an efficient catalyst for carbon‒carbon bond formation","Chem. Sci.","2014","5","10","3958","","10.1039/C4SC01332H","","","0.71075","MoKα","","","0.0497","","","","0.1186","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516600","9.1684","0.0017","13.5704","0.0019","17.837","0.004","86.182","0.014","87.019","0.016","84.413","0.013","2201.5","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 La O11 -","- C33 H31 La O11 -","- C66 H62 La2 O22 -","2","1","","Zhan, Chao; Ou, Sha; Zou, Chao; Zhao, Min; Wu, Chuan-De","A luminescent mixed-lanthanide-organic framework sensor for decoding different volatile organic molecules.","Analytical chemistry","2014","86","13","6648","6653","10.1021/ac5013442","","","0.71073","MoKα","","0.0882","0.0609","","","0.1412","0.1545","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516601","9.1035","0.0006","13.6438","0.0009","17.732","0.001","87.62","0.005","85.388","0.005","86.422","0.005","2189.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 Eu O11 -","- C33 H31 Eu O11 -","- C66 H62 Eu2 O22 -","2","1","","Zhan, Chao; Ou, Sha; Zou, Chao; Zhao, Min; Wu, Chuan-De","A luminescent mixed-lanthanide-organic framework sensor for decoding different volatile organic molecules.","Analytical chemistry","2014","86","13","6648","6653","10.1021/ac5013442","","","1.54178","CuKα","","0.1045","0.0756","","","0.1619","0.1776","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516602","9.1308","0.0003","13.6503","0.0004","17.7229","0.0005","87.558","0.002","85.382","0.003","86.398","0.003","2195.86","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 O11 Tb -","- C33 H31 O11 Tb -","- C66 H62 O22 Tb2 -","2","1","","Zhan, Chao; Ou, Sha; Zou, Chao; Zhao, Min; Wu, Chuan-De","A luminescent mixed-lanthanide-organic framework sensor for decoding different volatile organic molecules.","Analytical chemistry","2014","86","13","6648","6653","10.1021/ac5013442","","","1.54178","CuKα","","0.0407","0.0382","","","0.0985","0.1006","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516603","23.009","0.004","5.4564","0.001","13.699","0.003","90","","103.943","0.003","90","","1669.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 B N O -","- C20 H20 B N O -","- C80 H80 B4 N4 O4 -","4","1","","Brown, Alec N.; Zakharov, Lev N.; Mikulas, Tanya; Dixon, David A.; Liu, Shih-Yuan","Rhodium-Catalyzed B-H Activation of 1,2-Azaborines: Synthesis and Characterization of BN Isosteres of Stilbenes.","Organic letters","2014","16","12","3340","3343","10.1021/ol501362w","","","0.71073","MoKα","","0.0418","0.0345","","","0.0994","0.1152","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516604","6.7908","0.0004","8.8056","0.0005","28.0909","0.0015","90","","95.65","0.003","90","","1671.59","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","1","","Lee, Jihoon; Panek, James S.","Synthesis of Isochromene-Type Scaffolds via Single-Flask Diels-Alder-[4 + 2]-Annulation Sequence of a Silyl-Substituted Diene with Menadione.","Organic letters","2014","16","12","3320","3323","10.1021/ol501329t","","","1.54178","CuKα","","0.0504","0.0442","","","0.1115","0.1174","","","","","","1.183","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516605","13.9471","0.0018","8.2238","0.001","19.675","0.002","90","","93.918","0.003","90","","2251.4","0.5","100","2","100","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C25 H36 O5 -","- C25 H36 O5 -","- C100 H144 O20 -","4","1","","Williams, Russell B.; Du, Lin; Norman, Vanessa L.; Goering, Matt G.; O'Neil-Johnson, Mark; Woodbury, Scott; Albrecht, Matthew A.; Powell, Douglas R.; Cichewicz, Robert H.; Eldridge, Gary R.; Starks, Courtney M.","Diterpenes from the Endangered Goldenrod Solidago shortii.","Journal of natural products","2014","77","6","1438","1444","10.1021/np500178s","","","0.71073","MoKα","","0.0616","0.0507","","","0.1184","0.1269","","","","","","1.003","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1516606","10.58564","0.00019","6.27352","0.00011","16.626","0.0003","90","","95.2712","0.001","90","","1099.45","0.03","173","","173","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 -","- C30 H24 -","- C60 H48 -","2","0.5","","Horino, Yoshikazu; Takahashi, Yu; Koketsu, Kaori; Abe, Hitoshi; Tsuge, Kiyoshi","Practical and Convenient Synthesis of 1,6-Di- or 1,2,5,6-Tetra-arylhexa-1,3,5-trienes by the Dimerization of Pd(0)-Complexed Alkenylcarbenes Generated from π-Allylpalladium Intermediates.","Organic letters","2014","16","12","3184","3187","10.1021/ol501643x","","","1.54187","CuKα","","","0.0359","","","","0.0993","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516607","6.8751","0.0008","8.4919","0.001","22.997","0.003","90","","90","","90","","1342.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Br N O4 S -","- C11 H14 Br N O4 S -","- C44 H56 Br4 N4 O16 S4 -","4","1","","Chen, Ya-Jing; Chen, Ya-Heng; Feng, Chen-Guo; Lin, Guo-Qiang","Enantioselective Rhodium-Catalyzed Arylation of Cyclic N-Sulfamidate Alkylketimines: A New Access to Chiral β-Alkyl-β-aryl Amino Alcohols.","Organic letters","2014","16","12","3400","3403","10.1021/ol501464e","","","0.71073","MoKα","","0.0416","0.0325","","","0.0739","0.0765","","","","","","0.964","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516608","10.365","0.004","11.372","0.0012","15.121","0.002","90","","96.49","0.02","90","","1770.9","0.7","291","2","291.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 O5 P -","- C19 H19 O5 P -","- C76 H76 O20 P4 -","4","1","","Mi, Xia; Wang, Chenyang; Huang, Mengmeng; Zhang, Jianye; Wu, Yusheng; Wu, Yangjie","Silver-Catalyzed Synthesis of 3-Phosphorated Coumarins via Radical Cyclization of Alkynoates and Dialkyl H-Phosphonates.","Organic letters","2014","16","12","3356","3359","10.1021/ol5013839","","","0.71073","MoKα","","0.0671","0.0451","","","0.1018","0.1129","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516609","25.778","0.006","15.759","0.004","16.308","0.004","90","","105.245","0.004","90","","6392","3","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 F10 Ir N6 P -","- C28 H18 F10 Ir N6 P -","- C224 H144 F80 Ir8 N48 P8 -","8","1","","Henwood, Adam F.; Evariste, Sloane; Slawin, Alexandra M. Z.; Zysman-Colman, Eli","Rigid biimidazole ancillary ligands as an avenue to bright deep blue cationic iridium(iii) complexes.","Faraday discussions","2014","174","","165","182","10.1039/c4fd00107a","","","0.71075","MoKα","","0.0801","0.0701","","","0.1819","0.1947","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516610","9.1029","0.0017","12.8618","0.0015","15.38","0.003","69.58","0.03","88.64","0.04","71.81","0.03","1595.8","0.7","125","","125","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 F10 Ir N6 P -","- C36 H24 F10 Ir N6 P -","- C72 H48 F20 Ir2 N12 P2 -","2","1","","Henwood, Adam F.; Evariste, Sloane; Slawin, Alexandra M. Z.; Zysman-Colman, Eli","Rigid biimidazole ancillary ligands as an avenue to bright deep blue cationic iridium(iii) complexes.","Faraday discussions","2014","174","","165","182","10.1039/c4fd00107a","","","1.54187","CuKα","","","0.1357","","","","0.3805","","","","","","1.647","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516618","11.2634","0.0003","15.8807","0.0005","21.1556","0.0014","90","","90","","90","","3784.1","0.3","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42.4 O13.2 -","- C35 H42.4 O13.2 -","- C140 H169.6 O52.8 -","4","1","","Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc","Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead.","Journal of natural products","2014","77","6","1505","1512","10.1021/np500271u","","","1.54187","CuKα","","0.0674","0.0447","","","0.0897","0.1055","","","","","","0.965","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516619","11.3186","0.0003","15.8687","0.0004","20.1536","0.0014","90","","101.153","0.007","90","","3551.5","0.3","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H44 O13 -","- C32 H44 O13 -","- C128 H176 O52 -","4","2","","Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc","Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead.","Journal of natural products","2014","77","6","1505","1512","10.1021/np500271u","","","1.54187","CuKα","","0.1623","0.064","","","0.1477","0.2267","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516620","12.868","0.002","14.089","0.003","17.366","0.003","90","","90","","90","","3148.4","1","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 O13 -","- C30 H40 O13 -","- C120 H160 O52 -","4","1","","Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc","Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead.","Journal of natural products","2014","77","6","1505","1512","10.1021/np500271u","","","1.54187","CuKα","","0.1468","0.0998","","","0.1929","0.2318","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516621","13.373","0.0002","14.2814","0.0002","17.794","0.0012","90","","90","","90","","3398.4","0.2","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H44 O13 -","- C33 H44 O13 -","- C132 H176 O52 -","4","1","","Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc","Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead.","Journal of natural products","2014","77","6","1505","1512","10.1021/np500271u","","","1.54187","CuKα","","0.0393","0.033","","","0.0779","0.0893","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516622","21.4292","0.0006","21.4292","0.0006","21.4162","0.0006","90","","90","","120","","8517","0.4","150","2","150","2","","","","","","","synthesis as described","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C30 H28 O13 -","- C30 H28 O13 -","- C360 H336 O156 -","12","1","","Ren, Yulin; Lantvit, Daniel D.; Deng, Youcai; Kanagasabai, Ragu; Gallucci, Judith C.; Ninh, Tran Ngoc; Chai, Hee-Byung; Soejarto, Djaja D.; Fuchs, James R.; Yalowich, Jack C.; Yu, Jianhua; Swanson, Steven M.; Kinghorn, A. Douglas","Potent Cytotoxic Arylnaphthalene Lignan Lactones from Phyllanthus poilanei.","Journal of natural products","2014","77","6","1494","1504","10.1021/np5002785","","x-ray","1.2399","synchrotron","","0.0501","0.0377","","","0.0825","0.0889","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1516624","12.0326","0.0003","13.7368","0.0003","18.1386","0.0005","90","","94.679","0.001","90","","2988.13","0.13","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55.22 H54.8 Cl3.65 N12 O6.79 -","- C55.216 H53.216 Cl3.648 N12 O6.786 -","- C110.432 H106.432 Cl7.296 N24 O13.572 -","2","0.5","","Muranaka, Atsuya; Ohira, Shino; Toriumi, Naoyuki; Hirayama, Machiko; Kyotani, Fumiko; Mori, Yukie; Hashizume, Daisuke; Uchiyama, Masanobu","Unraveling the Electronic Structure of Azolehemiporphyrazines: Direct Spectroscopic Observation of Magnetic Dipole Allowed Nature of the Lowest π-π* Transition of 20π-Electron Porphyrinoids.","The journal of physical chemistry. A","2014","118","25","4415","4424","10.1021/jp5001557","","","0.71073","MoKα","","0.1161","0.0812","","","0.2288","0.2567","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1516625","8.1267","0.0001","12.3186","0.0002","15.8366","0.0003","93.4245","0.0009","100.543","0.0009","92.7206","0.001","1553.09","0.04","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H56 Cl6 N14 O4 -","- C64 H56 Cl6 N14 O4 -","- C64 H56 Cl6 N14 O4 -","1","0.5","","Muranaka, Atsuya; Ohira, Shino; Toriumi, Naoyuki; Hirayama, Machiko; Kyotani, Fumiko; Mori, Yukie; Hashizume, Daisuke; Uchiyama, Masanobu","Unraveling the Electronic Structure of Azolehemiporphyrazines: Direct Spectroscopic Observation of Magnetic Dipole Allowed Nature of the Lowest π-π* Transition of 20π-Electron Porphyrinoids.","The journal of physical chemistry. A","2014","118","25","4415","4424","10.1021/jp5001557","","","0.71073","MoKα","","0.0633","0.043","","","0.1092","0.1175","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516626","15.3095","0.0003","5.0915","0.0001","20.1111","0.0004","90","","109.532","0.0008","90","","1477.41","0.05","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 N8 -","- C36 H38 N8 -","- C72 H76 N16 -","2","0.5","","Muranaka, Atsuya; Ohira, Shino; Toriumi, Naoyuki; Hirayama, Machiko; Kyotani, Fumiko; Mori, Yukie; Hashizume, Daisuke; Uchiyama, Masanobu","Unraveling the Electronic Structure of Azolehemiporphyrazines: Direct Spectroscopic Observation of Magnetic Dipole Allowed Nature of the Lowest π-π* Transition of 20π-Electron Porphyrinoids.","The journal of physical chemistry. A","2014","118","25","4415","4424","10.1021/jp5001557","","","0.71073","MoKα","","0.0544","0.0419","","","0.1098","0.117","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516627","5.6849","0.0008","7.6858","0.001","32.425","0.004","90","","90","","90","","1416.7","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl2 -","- C16 H14 Cl2 -","- C64 H56 Cl8 -","4","1","","Srinivas, Harathi D.; Zhou, Qi; Watson, Mary P.","Enantiospecific, nickel-catalyzed cross-couplings of allylic pivalates and arylboroxines.","Organic letters","2014","16","13","3596","3599","10.1021/ol5016724","","","1.54178","CuKα","","0.029","0.0288","","","0.0806","0.0807","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516628","6.5056","0.0006","8.2425","0.0008","21.78","0.002","90","","90","","90","","1167.9","0.19","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O4 S -","- C10 H15 N O4 S -","- C40 H60 N4 O16 S4 -","4","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0259","0.0248","","","0.065","0.0658","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516629","8.4606","0.0003","9.8014","0.0003","14.3985","0.0005","90","","90","","90","","1194.01","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O4 S -","- C10 H15 N O4 S -","- C40 H60 N4 O16 S4 -","4","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0352","0.0315","","","0.0786","0.0822","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516630","7.9045","0.0005","10.8117","0.0007","11.4208","0.0008","90","","90","","90","","976.03","0.11","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O3 S -","- C8 H13 N O3 S -","- C32 H52 N4 O12 S4 -","4","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0352","0.0306","","","0.0752","0.0787","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516631","6.3034","0.0009","6.8102","0.0009","12.5634","0.0017","90","","99.245","0.002","90","","532.31","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C18 H30 N2 O6 S2 -","2","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0422","0.0349","","","0.0806","0.085","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516632","6.4374","0.0004","11.8996","0.0007","12.6886","0.0007","90","","90","","90","","971.98","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O3 S -","- C8 H13 N O3 S -","- C32 H52 N4 O12 S4 -","4","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0237","0.0232","","","0.0637","0.0641","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516633","14.493","0.006","6.393","0.003","11.849","0.005","90","","96.568","0.006","90","","1090.6","0.8","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0539","0.0485","","","0.1201","0.1246","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516634","8.7505","0.0008","9.3028","0.0007","15.4206","0.0013","90","","90","","90","","1255.3","0.18","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","","Li, Xin; Lin, Mao-Hui; Han, Yu; Wang, Feng; Cheng, Jin-Pei","Correction to Asymmetric Diels-Alder Reaction of 3-Olefinic Benzofuran-2-ones and Polyenals: Construction of Chiral Spirocyclic Benzofuran-2-ones.","Organic letters","2014","16","14","3847","","10.1021/ol501615q","","","0.71073","MoKα","","0.0369","0.0366","","","0.096","0.0962","","","","","","1.144","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516664","16.4531","0.0009","12.9636","0.0006","15.6226","0.0009","90","","102.578","0.006","90","","3252.2","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 N -","- C22 H17 N -","- C176 H136 N8 -","8","1","","Han, Wenjia; Zhang, Guoying; Li, Guangxing; Huang, Hanmin","Rh-catalyzed sequential oxidative C-h and N-N bond activation: conversion of azines into isoquinolines with air at room temperature.","Organic letters","2014","16","13","3532","3535","10.1021/ol501483k","","","0.7107","MoKα","","0.1102","0.0647","","","0.1468","0.1777","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516665","10.7866","0.0004","7.7855","0.0003","14.9348","0.0007","90","","99.41","0.004","90","","1237.33","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H36 O4 -","- C30 H36 O4 -","- C60 H72 O8 -","2","1","","Tian, Wen-Jing; Yu, Yang; Yao, Xiao-Jun; Chen, Hai-Feng; Dai, Yi; Zhang, Xiao-Kun; Yao, Xin-Sheng","Norsampsones A-D, Four New Decarbonyl Polycyclic Polyprenylated Acylphloroglucinols from Hypericum sampsonii.","Organic letters","2014","16","13","3448","3451","10.1021/ol501333k","","","1.54178","CuKα","","0.0391","0.034","","","0.078","0.0824","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516666","7.6549","0.0007","11.1028","0.0011","10.9893","0.0011","90","","90","","90","","933.99","0.16","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","3c","iodo(pentacarbonyl)rhenium(I)","","- C5 I O5 Re -","- C5 I O5 Re -","- C20 I4 O20 Re4 -","4","0.25","","Hernández, José G.; Butler, Ian S.; Friščić, Tomislav","Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions","Chemical Science","2014","5","9","3576","","10.1039/C4SC01252F","","","0.71073","MoKα","","0.0167","0.0165","","","0.0389","0.039","","","","","","1.19","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516667","11.7723","0.0015","11.5071","0.0015","6.1089","0.0008","90","","90","","90","","827.54","0.19","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","4b","bromo(pentacarbonyl)manganese(I)","","- C5 Br Mn O5 -","- C5 Br Mn O5 -","- C20 Br4 Mn4 O20 -","4","0.5","","Hernández, José G.; Butler, Ian S.; Friščić, Tomislav","Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions","Chemical Science","2014","5","9","3576","","10.1039/C4SC01252F","","","0.71073","MoKα","","0.0339","0.0278","","","0.0749","0.0776","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516668","12.6739","0.0006","11.2202","0.0006","19.9289","0.001","90","","104.719","0.001","90","","2741","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","7","bis(1,10-phenanthroline)di(carbonyl)rhenium(I) perrhenate(VII) acetonitrile solvate 1/1","","- C28 H19 N5 O6 Re2 -","- C28 H19 N5 O6 Re2 -","- C112 H76 N20 O24 Re8 -","4","1","","Hernández, José G.; Butler, Ian S.; Friščić, Tomislav","Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions","Chemical Science","2014","5","9","3576","","10.1039/C4SC01252F","","","0.71073","MoKα","","0.0499","0.0323","","","0.0648","0.0707","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516669","8.3989","0.0009","12.4017","0.001","17.7936","0.0019","88.626","0.006","88.89","0.008","81.912","0.006","1834.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H50 S Si2 -","- C40 H50 S Si2 -","- C80 H100 S2 Si4 -","2","1","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","1.54178","CuKα","","0.0511","0.0395","","","0.0997","0.1071","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516670","7.4177","0.001","14.5332","0.0016","18.922","0.002","73.889","0.008","84.135","0.01","78.229","0.01","1916.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 S2 Si2 -","- C42 H50 S2 Si2 -","- C84 H100 S4 Si4 -","2","1","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","1.54178","CuKα","","0.0738","0.053","","","0.1247","0.1356","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516671","7.0866","0.0008","16.2124","0.0019","26.849","0.003","85.812","0.01","84.502","0.007","77.978","0.007","2998.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 S Si2 -","- C34 H38 S Si2 -","- C136 H152 S4 Si8 -","4","2","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","1.54178","CuKα","","0.1495","0.1233","","","0.2892","0.3028","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516672","7.5217","0.0004","14.0563","0.0008","20.336","0.0011","73.188","0.004","81.718","0.004","82.685","0.004","2028.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H50 S3 Si2 -","- C44 H50 S3 Si2 -","- C88 H100 S6 Si4 -","2","1","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","1.54178","CuKα","","0.0642","0.0493","","","0.1232","0.133","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516673","15.913","0.006","11.398","0.004","6.921","0.002","90","","90","","90","","1255.3","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H8 O2 S -","- C18 H8 O2 S -","- C72 H32 O8 S4 -","4","1","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","0.71073","MoKα","","0.096","0.0529","","","0.1001","0.1145","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516674","12.983","0.004","3.9148","0.0012","14.969","0.004","90","","111.93","0.02","90","","705.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 O2 S2 -","- C20 H8 O2 S2 -","- C40 H16 O4 S4 -","2","0.5","","Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials","Chemical Science","2014","5","9","3627","","10.1039/C4SC01432D","","","1.54178","CuKα","","0.1084","0.0848","","","0.2128","0.2292","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516675","27.927","0.004","8.0895","0.0012","38.227","0.005","90","","98.822","0.002","90","","8534","2","110.15","","110.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Fe N4 O3 S -","- C28 H33 Fe N4 O3 S -","- C336 H396 Fe12 N48 O36 S12 -","12","3","","Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y.","Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes","Chemical Science","2014","5","10","3795","","10.1039/C4SC01523A","","","0.71073","MoKα","","0.0854","0.0478","","","0.0996","0.1135","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516676","16.745","0.003","8.1442","0.0014","22.278","0.004","90","","93.72","0.002","90","","3031.8","0.9","110.15","","110.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Fe N4 O2 S -","- C31 H39 Fe N4 O2 S -","- C124 H156 Fe4 N16 O8 S4 -","4","1","","Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y.","Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes","Chemical Science","2014","5","10","3795","","10.1039/C4SC01523A","","","0.71073","MoKα","","0.057","0.0439","","","0.1268","0.1378","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516677","12.028","0.003","14.71","0.003","16.167","0.004","90","","104.944","0.003","90","","2763.7","1.1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Cl Fe N4 O2 S -","- C27 H30 Cl Fe N4 O2 S -","- C108 H120 Cl4 Fe4 N16 O8 S4 -","4","1","","Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y.","Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes","Chemical Science","2014","5","10","3795","","10.1039/C4SC01523A","","","0.71073","MoKα","","0.079","0.0419","","","0.0942","0.1109","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516678","15.596","0.003","7.9152","0.0017","23.348","0.005","90","","107.772","0.003","90","","2744.7","1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Fe N5 O4 S -","- C27 H30 Fe N5 O4 S -","- C108 H120 Fe4 N20 O16 S4 -","4","1","","Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y.","Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes","Chemical Science","2014","5","10","3795","","10.1039/C4SC01523A","","","0.71073","MoKα","","0.0664","0.0402","","","0.0893","0.1012","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516679","12.1808","0.0003","12.1808","0.0003","44.474","0.002","90","","90","","90","","6598.7","0.4","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C70 H98 Mg O13 Zn2 -","- C70 H98 Mg O13 Zn2 -","- C280 H392 Mg4 O52 Zn8 -","4","0.5","","Bluemke, Tobias D.; Clegg, William; García-Alvarez, Pablo; Kennedy, Alan R.; Koszinowski, Konrad; McCall, Matthew D.; Russo, Luca; Hevia, Eva","Structural and reactivity insights in Mg‒Zn hybrid chemistry: Zn‒I exchange and Pd-catalysed cross-coupling applications of aromatic substrates","Chemical Science","2014","5","9","3552","","10.1039/C4SC01263A","","","0.71073","MoKα","","0.097","0.0667","","","0.1729","0.1841","","","","","","0.962","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516680","16.1212","0.0008","9.5045","0.0006","24.1563","0.0014","90","","98.132","0.005","90","","3664.1","0.4","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Cl I Mg N2 O5 Zn -","- C34 H48 Cl I Mg N2 O5 Zn -","- C136 H192 Cl4 I4 Mg4 N8 O20 Zn4 -","4","1","","Bluemke, Tobias D.; Clegg, William; García-Alvarez, Pablo; Kennedy, Alan R.; Koszinowski, Konrad; McCall, Matthew D.; Russo, Luca; Hevia, Eva","Structural and reactivity insights in Mg‒Zn hybrid chemistry: Zn‒I exchange and Pd-catalysed cross-coupling applications of aromatic substrates","Chemical Science","2014","5","9","3552","","10.1039/C4SC01263A","","","0.71069","MoKα","","0.0838","0.0384","","","0.054","0.0589","","","","","","0.815","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516681","17.7109","0.0007","28.5979","0.0015","31.0744","0.0019","67.271","0.005","79.167","0.004","84.672","0.004","14254.5","1.4","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C91.81 H109.81 Cl6.44 Cu F N4 O10 -","- C91.8123 H109.812 Cl6.437 Cu F N4 O10 -","- C550.874 H658.874 Cl38.622 Cu6 F6 N24 O60 -","6","3","","Brugnara, Andrea; Topić, Filip; Rissanen, Kari; Lande, Aurélien de la; Colasson, Benoit; Reinaud, Olivia","Selective recognition of fluoride anion in water by a copper(ii) center embedded in a hydrophobic cavity","Chemical Science","2014","5","10","3897","","10.1039/C4SC01457J","","x-ray","1.54184","CuKα","","0.2215","0.1384","","","0.3579","0.4234","","","","","","1.272","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516682","14.2395","0.0016","6.7738","0.0013","11.281","0.001","81.264","0.014","100.378","0.01","101.773","0.01","1040.3","0.3","296","2","293","2","","","","","","","","2","P -1","-P 1","2","rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C84 H56 -","2","1","","Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A.","Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene","The Journal of Physical Chemistry C","2014","118","25","13476","","10.1021/jp503271h","","","0.661","synchrotron","","0.0775","0.06","","","0.1485","0.161","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516683","6.6779","0.0005","7.9256","0.0017","11.3415","0.0016","89.367","0.017","104.46","0.007","96.321","0.009","577.63","0.16","293","2","293","2","","","","","","","","2","P -1","-P 1","2","rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C42 H28 -","1","0.5","","Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A.","Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene","The Journal of Physical Chemistry C","2014","118","25","13476","","10.1021/jp503271h","","","0.661","synchrotron","","0.0769","0.0656","","","0.1719","0.1845","","","","","","1.155","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1516684","7.0883","0.0007","8.5994","0.0008","12.0059","0.0011","93.486","0.005","105.642","0.005","95.977","0.005","697.86","0.12","293","2","","","","","","","","","","2","P -1","-P 1","2","rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C42 H28 -","1","0.5","","Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A.","Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene","The Journal of Physical Chemistry C","2014","118","25","13476","","10.1021/jp503271h","","","","","","0.073","0.0524","","","0.121","0.1341","","","","","","1.046","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1516685","6.635","0.0003","7.7995","0.0016","11.2182","0.0014","88.437","0.017","104.348","0.007","96.316","0.008","559.02","0.14","293","2","293","2","","","","","","","","2","P -1","-P 1","2","rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C42 H28 -","1","0.5","","Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A.","Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene","The Journal of Physical Chemistry C","2014","118","25","13476","","10.1021/jp503271h","","","0.661","synchrotron","","0.0822","0.0639","","","0.1628","0.1743","","","","","","1.101","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1516686","6.8535","0.0004","8.2642","0.0012","11.6573","0.0011","91.614","0.011","104.921","0.005","96.311","0.007","633.03","0.12","293","2","293","2","","","","","","","","2","P -1","-P 1","2","rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C42 H28 -","1","0.5","","Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A.","Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene","The Journal of Physical Chemistry C","2014","118","25","13476","","10.1021/jp503271h","","","0.661","synchrotron","","0.0667","0.045","","","0.1175","0.1281","","","","","","1.09","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1516687","6.7392","0.0004","8.0591","0.0015","11.4641","0.0014","90.271","0.015","104.627","0.006","96.329","0.008","598.44","0.14","293","2","293","2","","","","","","","","2","P -1","-P 1","2","rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C42 H28 -","1","0.5","","Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A.","Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene","The Journal of Physical Chemistry C","2014","118","25","13476","","10.1021/jp503271h","","","0.661","synchrotron","","0.0688","0.0602","","","0.1867","0.195","","","","","","1.124","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1516688","7.0478","0.0003","8.5495","0.0013","11.9485","0.0011","93.201","0.011","105.501","0.005","96.079","0.006","687.2","0.13","293","2","293","2","","","","","","","","2","P -1","-P 1","2","rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C42 H28 -","1","0.5","","Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A.","Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene","The Journal of Physical Chemistry C","2014","118","25","13476","","10.1021/jp503271h","","","0.661","synchrotron","","0.0724","0.0589","","","0.1224","0.129","","","","","","1.153","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1516689","6.6162","0.0004","7.6757","0.0017","11.1002","0.0013","87.399","0.017","104.322","0.007","96.289","0.009","542.81","0.14","293","2","293","2","","","","","","","","2","P -1","-P 1","2","rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C42 H28 -","1","0.5","","Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A.","Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene","The Journal of Physical Chemistry C","2014","118","25","13476","","10.1021/jp503271h","","","0.661","synchrotron","","0.0711","0.0561","","","0.1546","0.1681","","","","","","1.122","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1516690","12.86","0.006","26.508","0.012","15.338","0.007","90","","110.628","0.003","90","","4893","4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 N2 S4 -","- C60 H52 N2 S4 -","- C240 H208 N8 S16 -","4","1","","Karthik, Ganesan; Srinivasan, A.; Chandrashekar, Tavarekere K.","meso-Aryl Core-Modified Fused Sapphyrins: Syntheses and Structural Diversity.","Organic letters","2014","16","13","3472","3475","10.1021/ol501395t","","","0.71073","MoKα","","0.0849","0.0487","","","0.1133","0.131","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516691","10.9901","0.0006","11.6965","0.0007","13.3134","0.0008","66.633","0.001","67.953","0.001","82.977","0.001","1455.43","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","2","","Zhao, Chen; Li, Ping; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Experimental Study of the Cooperativity of CH-π Interactions.","Organic letters","2014","16","13","3520","3523","10.1021/ol5014729","","","0.71073","MoKα","","0.0526","0.0444","","","0.1112","0.1175","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516692","10.1567","0.0017","12.264","0.002","13.09","0.002","76.602","0.004","73.82","0.004","74.329","0.004","1486","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H31 N O3 -","- C42 H31 N O3 -","- C84 H62 N2 O6 -","2","1","","Zhao, Chen; Li, Ping; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Experimental Study of the Cooperativity of CH-π Interactions.","Organic letters","2014","16","13","3520","3523","10.1021/ol5014729","","","0.71073","MoKα","","0.0653","0.0469","","","0.1043","0.1139","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516693","10.6344","0.0009","13.5264","0.0011","22.2337","0.0018","90","","94.961","0.002","90","","3186.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H32 N2 O3 -","- C43 H32 N2 O3 -","- C172 H128 N8 O12 -","4","1","","Zhao, Chen; Li, Ping; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Experimental Study of the Cooperativity of CH-π Interactions.","Organic letters","2014","16","13","3520","3523","10.1021/ol5014729","","","0.71073","MoKα","","0.0449","0.0375","","","0.0976","0.1019","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516694","16.9467","0.0013","12.1612","0.001","31.646","0.003","90","","97.377","0.002","90","","6468","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 Cl2 N O3 -","- C43 H29 Cl2 N O3 -","- C344 H232 Cl16 N8 O24 -","8","2","","Zhao, Chen; Li, Ping; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Experimental Study of the Cooperativity of CH-π Interactions.","Organic letters","2014","16","13","3520","3523","10.1021/ol5014729","","","0.71073","MoKα","","0.1177","0.0821","","","0.181","0.1968","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516695","7.662","0.003","11.01","0.004","11.473","0.004","90.434","0.004","106.459","0.004","103.436","0.005","900","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Cl N2 O4 -","- C19 H23 Cl N2 O4 -","- C38 H46 Cl2 N4 O8 -","2","1","","Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang","Predicting Solar-Cell Dyes for Cosensitization","The Journal of Physical Chemistry C","2014","118","26","14082","","10.1021/jp501159g","","","0.71073","MoKα","","0.0443","0.0415","","","","0.1107","","","","","","1.085","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516696","7.91","0.005","11.892","0.005","13.602","0.005","76.675","0.005","77.828","0.005","72.459","0.005","1173.3","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Cl N2 O6 -","- C26 H27 Cl N2 O6 -","- C52 H54 Cl2 N4 O12 -","2","1","","Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang","Predicting Solar-Cell Dyes for Cosensitization","The Journal of Physical Chemistry C","2014","118","26","14082","","10.1021/jp501159g","","","0.71069","MoKα","","0.0453","0.0418","","","","0.1137","","","","","","1.054","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516697","30.833","0.005","7.2235","0.001","22.094","0.004","90","","119.936","0.002","90","","4264.3","1.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 Cl N2 O4 -","- C23 H27 Cl N2 O4 -","- C184 H216 Cl8 N16 O32 -","8","1","","Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang","Predicting Solar-Cell Dyes for Cosensitization","The Journal of Physical Chemistry C","2014","118","26","14082","","10.1021/jp501159g","","","0.71073","MoKα","","0.0514","0.0456","","","","0.1217","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516698","8.0856","0.0013","12.518","0.002","22.631","0.004","90","","95.377","0.002","90","","2280.5","0.7","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 Cl N3 O4 -","- C25 H30 Cl N3 O4 -","- C100 H120 Cl4 N12 O16 -","4","1","","Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang","Predicting Solar-Cell Dyes for Cosensitization","The Journal of Physical Chemistry C","2014","118","26","14082","","10.1021/jp501159g","","","0.71073","MoKα","","0.0472","0.0455","","","","0.1254","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516699","11.101","0.003","16.452","0.004","12.347","0.004","90","","108.375","0.004","90","","2140","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Cl N2 O4 -","- C23 H25 Cl N2 O4 -","- C92 H100 Cl4 N8 O16 -","4","1","","Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang","Predicting Solar-Cell Dyes for Cosensitization","The Journal of Physical Chemistry C","2014","118","26","14082","","10.1021/jp501159g","","","0.71073","MoKα","","0.0526","0.0496","","","","0.1281","","","","","","1.082","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516700","9.77","0.004","12.728","0.005","13.24","0.005","99.575","0.003","111.36","0.002","105.87","0.004","1408.4","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H33 Cl2 N2 O4 S -","- C28.5 H33 Cl2 N2 O4 S -","- C57 H66 Cl4 N4 O8 S2 -","2","1","","Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang","Predicting Solar-Cell Dyes for Cosensitization","The Journal of Physical Chemistry C","2014","118","26","14082","","10.1021/jp501159g","","","0.71073","MoKα","","0.0493","0.0439","","","","0.123","","","","","","1.047","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516701","8.027","0.01","11.283","0.013","17.69","0.02","92.665","0.019","102.552","0.017","99.03","0.02","1539","3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C31.5 H29 Cl N2 O5.125 S -","- C31.5 H29 Cl N2 O5.13 S -","- C63 H58 Cl2 N4 O10.26 S2 -","2","1","","Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang","Predicting Solar-Cell Dyes for Cosensitization","The Journal of Physical Chemistry C","2014","118","26","14082","","10.1021/jp501159g","","","0.71073","MoKα","","0.0824","0.0715","","","","0.1979","","","","","","1.061","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516702","10.4651","0.0003","12.0555","0.0004","22.0874","0.0007","90","","91.79","0.002","90","","2785.23","0.15","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C128 H136 N8 O32 -","8","1","","Mukhina, Olga A.; Cronk, W. Cole; Kumar, N. N. Bhuvan; Sekhar, M. Chandra; Samanta, Anunay; Kutateladze, Andrei G.","Intramolecular cycloadditions of photogenerated azaxylylenes: an experimental and theoretical study.","The journal of physical chemistry. A","2014","118","45","10487","10496","10.1021/jp504281y","","","0.71073","MoKα","","0.0463","0.0357","","","0.0974","0.1107","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516703","9.8869","0.0009","8.4979","0.0007","17.1534","0.0017","90","","103.026","0.011","90","","1404.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Zheng, Jing; Zhang, Yan; Cui, Sunliang","Rh(III)-Catalyzed Selective Coupling of N-Methoxy-1H-indole-1-carboxamides and Aryl Boronic Acids.","Organic letters","2014","16","13","3560","3563","10.1021/ol5014312","","","0.71073","MoKα","","0.062","0.0418","","","0.099","0.1124","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516704","7.1463","0.0003","10.177","0.0004","13.3296","0.0005","99.67","0.0015","92.942","0.0016","99.295","0.0015","940.04","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Cl3 N O3 -","- C17 H22 Cl3 N O3 -","- C34 H44 Cl6 N2 O6 -","2","1","","Manikandan, Rajendran; Jeganmohan, Masilamani","Ruthenium-catalyzed cyclization of anilides with substituted propiolates or acrylates: an efficient route to 2-quinolinones.","Organic letters","2014","16","13","3568","3571","10.1021/ol501548e","","","1.54178","CuKα","","0.0479","0.043","","","0.156","0.1621","","","","","","1.346","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516705","5.9003","0.0003","14.002","0.0007","21.7297","0.001","90","","90","","90","","1795.22","0.15","180.01","0.1","180.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Yu, Yuanyuan; Wang, Chunyu; He, Xinze; Yao, Xiaotong; Zu, Liansuo","Efficient Assembly of Polysubstituted Pyrroles via a (3 + 2) Cycloaddition/Skeletal Rearrangement/Redox Isomerization Cascade Reaction.","Organic letters","2014","16","13","3580","3583","10.1021/ol501580b","","","0.7107","MoKα","","0.0538","0.042","","","0.098","0.1042","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516706","10.7784","0.0009","30.335","0.003","10.6785","0.0009","90","","115.168","0.002","90","","3160","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H41 N3 O5 Si2 -","- C25 H41 N3 O5 Si2 -","- C100 H164 N12 O20 Si8 -","4","1","","Liu, Yang; Jin, Shiyu; Wang, Zi; Song, Linhua; Hu, Youhong","Microwave Assisted Tandem Heck-Sonogashira Reactions of N,N-Di-Boc-Protected 6-Amino-5-iodo-2-methyl Pyrimidin-4-ol in An Efficient Approach to Functionalized Pyrido[2,3-d]Pyrimidines.","Organic letters","2014","16","13","3524","3527","10.1021/ol501459e","","","0.71073","MoKα","","0.0829","0.0574","","","0.1422","0.1538","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516707","11.0471","0.0014","12.0602","0.0015","16.587","0.002","79.775","0.002","77.726","0.002","86.565","0.002","2124.5","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H21 N -","- C30 H21 N -","- C120 H84 N4 -","4","2","","Wang, Shaoyin; Chai, Zhuo; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu","Lewis Acid Catalyzed Cascade Reaction to Carbazoles and Naphthalenes via Dehydrative [3 + 3]-Annulation.","Organic letters","2014","16","13","3592","3595","10.1021/ol501605h","","","0.71073","MoKα","","0.1022","0.0498","","","0.1095","0.1322","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516708","10.6667","0.0017","12.2374","0.0019","18.702","0.003","73.907","0.002","82.088","0.002","76.905","0.002","2277.2","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H23 N O -","- C31 H23 N O -","- C124 H92 N4 O4 -","4","2","","Wang, Shaoyin; Chai, Zhuo; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu","Lewis Acid Catalyzed Cascade Reaction to Carbazoles and Naphthalenes via Dehydrative [3 + 3]-Annulation.","Organic letters","2014","16","13","3592","3595","10.1021/ol501605h","","","0.71073","MoKα","","0.1131","0.0517","","","0.1176","0.1456","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516709","7.5251","0.0005","13.3225","0.0009","21.8161","0.0015","90","","90","","90","","2187.1","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C30 H22 O2 -","- C30 H22 O2 -","- C120 H88 O8 -","4","1","","Wang, Shaoyin; Chai, Zhuo; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu","Lewis Acid Catalyzed Cascade Reaction to Carbazoles and Naphthalenes via Dehydrative [3 + 3]-Annulation.","Organic letters","2014","16","13","3592","3595","10.1021/ol501605h","","","0.71073","MoKα","","0.0442","0.0369","","","0.083","0.0877","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516710","6.737","0.002","10.853","0.003","12.232","0.004","80.759","0.005","86.793","0.005","73.199","0.005","845","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H16 O4 -","- C23 H16 O4 -","- C46 H32 O8 -","2","1","","Bhojgude, Sachin Suresh; Thangaraj, Manikandan; Suresh, Eringathodi; Biju, Akkattu T.","Tandem [4 + 2]/[2 + 2] cycloaddition reactions involving indene or benzofurans and arynes.","Organic letters","2014","16","13","3576","3579","10.1021/ol501579d","","","0.71073","MoKα","","0.1426","0.1063","","","0.2824","0.3222","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516711","7.9519","0.0017","12.792","0.003","17.476","0.004","90","","90","","90","","1777.7","0.7","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H22 O -","- C24 H22 O -","- C96 H88 O4 -","4","1","","Bhojgude, Sachin Suresh; Thangaraj, Manikandan; Suresh, Eringathodi; Biju, Akkattu T.","Tandem [4 + 2]/[2 + 2] cycloaddition reactions involving indene or benzofurans and arynes.","Organic letters","2014","16","13","3576","3579","10.1021/ol501579d","","","0.71073","MoKα","","0.0733","0.0704","","","0.1562","0.1577","","","","","","1.229","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516712","12.055","0.005","8.557","0.004","23.454","0.01","90","","90.843","0.006","90","","2419.1","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N O3 S -","- C28 H27 N O3 S -","- C112 H108 N4 O12 S4 -","4","1","","Feng, Xin; Wang, Huiqing; Yang, Bo; Fan, Renhua","One-Pot Synthesis of Highly Substituted 4-Acetonylindoles via Sequential Dearomatization and Silver-Catalyzed Domino Reaction.","Organic letters","2014","16","13","3600","3603","10.1021/ol501678v","","","0.71073","MoKα","","0.1101","0.0772","","","0.2028","0.241","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516713","8.762","0.004","27.035","0.011","8.561","0.004","90","","99.436","0.009","90","","2000.5","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O6 -","- C21 H22 N2 O6 -","- C84 H88 N8 O24 -","4","1","","Li, Deng Yuan; Mao, Xiao Feng; Chen, Hao Jie; Chen, Guo Rong; Liu, Pei Nian","Rhodium-Catalyzed Addition-Cyclization of Hydrazines with Alkynes: Pyrazole Synthesis via Unexpected C-N Bond Cleavage.","Organic letters","2014","16","13","3476","3479","10.1021/ol501402p","","","0.71073","MoKα","","0.0595","0.0424","","","0.101","0.1101","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516714","8.9238","0.0016","10.559","0.0018","11.636","0.002","63.623","0.003","88.104","0.003","66.937","0.003","890.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Cl N2 O4 -","- C19 H15 Cl N2 O4 -","- C38 H30 Cl2 N4 O8 -","2","1","","Li, Deng Yuan; Mao, Xiao Feng; Chen, Hao Jie; Chen, Guo Rong; Liu, Pei Nian","Rhodium-Catalyzed Addition-Cyclization of Hydrazines with Alkynes: Pyrazole Synthesis via Unexpected C-N Bond Cleavage.","Organic letters","2014","16","13","3476","3479","10.1021/ol501402p","","","0.71073","MoKα","","0.0716","0.0633","","","0.1807","0.1931","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516715","9.0549","0.0018","10.608","0.002","11.805","0.002","71.659","0.004","87.306","0.004","73.948","0.004","1033.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O6 -","- C21 H22 N2 O6 -","- C42 H44 N4 O12 -","2","1","","Li, Deng Yuan; Mao, Xiao Feng; Chen, Hao Jie; Chen, Guo Rong; Liu, Pei Nian","Rhodium-Catalyzed Addition-Cyclization of Hydrazines with Alkynes: Pyrazole Synthesis via Unexpected C-N Bond Cleavage.","Organic letters","2014","16","13","3476","3479","10.1021/ol501402p","","","0.71073","MoKα","","0.0733","0.0537","","","0.1374","0.1552","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516716","9.059","0.004","15.197","0.006","23.751","0.01","73.595","0.008","88.406","0.014","81.684","0.012","3103","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H44 Ir2 N8 O9 Y -","- C68 H44 Ir2 N8 O9 Y -","- C136 H88 Ir4 N16 O18 Y2 -","2","1","","Li, Lina; Zhang, Shuquan; Xu, Liangjin; Wang, Jinyun; Shi, Lin-Xi; Chen, Zhong-Ning; Hong, Maochun; Luo, Junhua","Effective visible-light driven CO2photoreduction via a promising bifunctional iridium coordination polymer","Chemical Science","2014","5","10","3808","","10.1039/C4SC00940A","","","0.71073","MoKα","","0.1059","0.0641","","","0.1239","0.1503","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516717","11.0962","0.0017","21.8","0.003","19.774","0.003","90","","105.379","0.003","90","","4612","1.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N2 O -","- C30 H22 N2 O -","- C240 H176 N16 O8 -","8","2","","Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao","Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule","Chemical Science","2014","5","10","3922","","10.1039/C4SC01243G","","","0.71073","MoKα","","0.1376","0.0721","","","0.1811","0.2139","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516718","12.859","0.005","15.737","0.006","25.688","0.01","90","","90","","90","","5198","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H28 N2 O2 -","- C33 H28 N2 O2 -","- C264 H224 N16 O16 -","8","1","","Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao","Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule","Chemical Science","2014","5","10","3922","","10.1039/C4SC01243G","","","0.71073","MoKα","","0.1182","0.0768","","","0.1763","0.2019","","","","","","1.101","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516719","19.548","0.009","18.292","0.008","21.819","0.01","90","","108.996","0.005","90","","7377","6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H20.6667 N2 O0.3333 -","- C29 H20 N2 O0.333333 -","- C348 H240 N24 O4 -","12","3","","Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao","Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule","Chemical Science","2014","5","10","3922","","10.1039/C4SC01243G","","","0.71073","MoKα","","0.3205","0.1879","","","0.3855","0.4361","","","","","","1.625","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516720","12.852","0.005","15.692","0.005","25.641","0.008","90","","90","","90","","5171","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H28 N2 O2 -","- C33 H28 N2 O2 -","- C264 H224 N16 O16 -","8","1","","Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao","Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule","Chemical Science","2014","5","10","3922","","10.1039/C4SC01243G","","","0.71073","MoKα","","0.1022","0.0763","","","0.1726","0.1886","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516721","16.482","0.003","4.96","0.001","18.568","0.004","90","","91.72","0.03","90","","1517.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","VBT-4Pyr","VBT-4Pyr","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C76 H68 N12 O8 -","4","1","","Johnston, Priscilla; Nishikami, Yuki; Saito, Kei","Synthesis of thyminyl stilbazoles and their photo-reactivity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","9","1290","1296","10.1039/c4pp00185k","","","0.71082","synchrotron","","0.0679","0.0509","","","0.1252","0.1355","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516722","4.87","0.001","10.62","0.002","15.26","0.003","100.47","0.03","94.59","0.03","93.98","0.03","770.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","VBT3Pyr","VBT3Pyr","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C38 H34 N6 O4 -","2","1","","Johnston, Priscilla; Nishikami, Yuki; Saito, Kei","Synthesis of thyminyl stilbazoles and their photo-reactivity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","9","1290","1296","10.1039/c4pp00185k","","","0.7107","synchrotron","","0.107","0.0746","","","0.1907","0.2111","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516723","13.101","0.003","14.414","0.003","8.998","0.0018","90","","103.68","0.03","90","","1651","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","VBMT4Pyr","VBMT4Pyr","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C80 H76 N12 O8 -","4","1","","Johnston, Priscilla; Nishikami, Yuki; Saito, Kei","Synthesis of thyminyl stilbazoles and their photo-reactivity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","9","1290","1296","10.1039/c4pp00185k","","","0.7107","synchrotron","","0.0533","0.0482","","","0.1263","0.1304","","","","","","1.042","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1516724","30.165","0.006","4.4","0.0009","24.6","0.005","90","","93.83","0.03","90","","3257.8","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","VBMT3Pyr","VBMT3Pyr","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C160 H152 N24 O16 -","8","1","","Johnston, Priscilla; Nishikami, Yuki; Saito, Kei","Synthesis of thyminyl stilbazoles and their photo-reactivity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","9","1290","1296","10.1039/c4pp00185k","","","0.7107","synchrotron","","0.0617","0.0485","","","0.1232","0.1322","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516725","8.188","0.0016","12.063","0.002","17.14","0.003","90","","103.02","0.03","90","","1649.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","VMT4PyrDimer","VMT4PyrDimer","","- C40 H38 N6 O4 -","- C40 H38 N6 O4 -","- C80 H76 N12 O8 -","2","0.5","","Johnston, Priscilla; Nishikami, Yuki; Saito, Kei","Synthesis of thyminyl stilbazoles and their photo-reactivity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","9","1290","1296","10.1039/c4pp00185k","","","0.7107","synchrotron","","0.1733","0.1105","","","0.2746","0.3284","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516726","9.115","0.003","10.756","0.004","19.937","0.007","90","","90","","90","","1954.6","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C104 H92 N4 O8 -","4","1","","Marsh, Barrie J.; Adams, Harry; Barker, Mike D.; Kutama, Ibrahim U.; Jones, Simon","Enantioselective Catalytic Desymmetrization of Maleimides by Temporary Removal of an Internal Mirror Plane and Stereoablative Over-reduction: Synthesis of (R)-Pyrrolam A.","Organic letters","2014","16","14","3780","","10.1021/ol5016702","","","0.71073","MoKα","","0.0539","0.0442","","","0.1166","0.1248","","","","","","1.137","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516727","8.755","0.003","11.955","0.003","19.235","0.005","90","","90","","90","","2013.3","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C104 H92 N4 O12 -","4","1","","Marsh, Barrie J.; Adams, Harry; Barker, Mike D.; Kutama, Ibrahim U.; Jones, Simon","Enantioselective Catalytic Desymmetrization of Maleimides by Temporary Removal of an Internal Mirror Plane and Stereoablative Over-reduction: Synthesis of (R)-Pyrrolam A.","Organic letters","2014","16","14","3780","","10.1021/ol5016702","","","0.71073","MoKα","","0.1801","0.0754","","","0.1125","0.1477","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516728","7.9805","0.0007","8.5298","0.0008","14.3667","0.0014","78.092","0.008","85.576","0.008","86.494","0.007","953.05","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Cu2 I2 N P -","- C17 H14 Cu2 I2 N P -","- C34 H28 Cu4 I4 N2 P2 -","2","1","","Maini, Lucia; Mazzeo, Paolo P.; Farinella, Francesco; Fattori, Valeria; Braga, Dario","Mechanochemical preparation of copper iodide clusters of interest for luminescent devices.","Faraday discussions","2014","170","","93","107","10.1039/c3fd00164d","","","0.71073","MoKα","","0.1386","0.1225","","","","0.3395","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516729","13.64705","","13.64705","","14.73999","","90","","90","","120","","2377.42","","","","293","","","","","","","","","6","P -3","-P 3","147","","","?PN14?","- C51 H42 Cu I N3 P3 -","- C51 H42 Cu I N3 P3 -","- C102 H84 Cu2 I2 N6 P6 -","2","0.333333","","Maini, Lucia; Mazzeo, Paolo P.; Farinella, Francesco; Fattori, Valeria; Braga, Dario","Mechanochemical preparation of copper iodide clusters of interest for luminescent devices.","Faraday discussions","2014","170","","93","107","10.1039/c3fd00164d","powder diffraction","","1.5406","CuKα","","","","","","","","","","1.78","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516730","16.7222","0.0003","13.9164","0.0003","16.4466","0.0003","90","","99.688","0.002","90","","3772.75","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Cu4 I4 N2 P2 -","- C34 H28 Cu4 I4 N2 P2 -","- C136 H112 Cu16 I16 N8 P8 -","4","1","","Maini, Lucia; Mazzeo, Paolo P.; Farinella, Francesco; Fattori, Valeria; Braga, Dario","Mechanochemical preparation of copper iodide clusters of interest for luminescent devices.","Faraday discussions","2014","170","","93","107","10.1039/c3fd00164d","","","0.71073","MoKα","","0.0621","0.0489","","","0.0933","0.0979","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516764","6.208","0.002","7.7318","0.0013","14","0.003","100.602","0.015","91.28","0.02","104.16","0.02","638.8","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C13 H17 N O S -","- C13 H17 N O S -","- C26 H34 N2 O2 S2 -","2","2","","Guntreddi, Tirumaleswararao; Vanjari, Rajeshwer; Singh, Krishna Nand","Decarboxylative Thioamidation of Arylacetic and Cinnamic Acids: A New Approach to Thioamides.","Organic letters","2014","16","14","3624","","10.1021/ol501482g","","","0.71073","MoKα","","0.0634","0.042","","","0.0968","0.114","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516765","5.6661","0.0004","10.9417","0.0006","17.4225","0.0009","90","","90","","90","","1080.14","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O S -","- C11 H13 N O S -","- C44 H52 N4 O4 S4 -","4","1","","Guntreddi, Tirumaleswararao; Vanjari, Rajeshwer; Singh, Krishna Nand","Decarboxylative Thioamidation of Arylacetic and Cinnamic Acids: A New Approach to Thioamides.","Organic letters","2014","16","14","3624","","10.1021/ol501482g","","","0.71073","MoKα","","0.0847","0.0612","","","0.1526","0.174","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516766","7.4266","0.0009","8.8041","0.0011","15.597","0.002","95.741","0.001","95.028","0.002","105.542","0.002","970.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O -","- C26 H22 N2 O -","- C52 H44 N4 O2 -","2","1","","Cong, Xuefeng; Zeng, Xiaoming","Iron-Catalyzed, Chelation-Induced Remote C-H Allylation of Quinolines via 8-Amido Assistance.","Organic letters","2014","16","14","3716","","10.1021/ol501534z","","","0.71073","MoKα","","0.0402","0.0379","","","0.1046","0.1071","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516767","16.8889","0.0013","5.4753","0.0004","19.842","0.0015","90","","108.531","0.001","90","","1739.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N2 O -","- C22 H21 N2 O -","- C88 H84 N8 O4 -","4","1","","Cong, Xuefeng; Zeng, Xiaoming","Iron-Catalyzed, Chelation-Induced Remote C-H Allylation of Quinolines via 8-Amido Assistance.","Organic letters","2014","16","14","3716","","10.1021/ol501534z","","","0.71073","MoKα","","0.0534","0.0443","","","0.1178","0.1253","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516768","8.0301","0.0005","16.9861","0.0011","17.595","0.0011","64.243","0.004","80.825","0.006","77.765","0.005","2106.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cl F12 N5 S4 -","- C40 H32 Cl F12 N5 S4 -","- C80 H64 Cl2 F24 N10 S8 -","2","1","","Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A.","Thiosquaramides: pH switchable anion transporters","Chemical Science","2014","5","9","3617","","10.1039/C4SC01629G","","","0.71075","MoKα","","0.1221","0.0683","","","0.1492","0.1769","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516769","11.0175","0.0006","12.8086","0.0007","12.9025","0.0007","91.871","0.002","113.774","0.002","96.73","0.002","1648.39","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H50 N2 O3 S -","- C34 H50 N2 O3 S -","- C68 H100 N4 O6 S2 -","2","1","","Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A.","Thiosquaramides: pH switchable anion transporters","Chemical Science","2014","5","9","3617","","10.1039/C4SC01629G","","","0.71073","MoKα","","0.084","0.046","","","0.0965","0.1109","","","","","","1.015","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1516770","8.0488","0.0001","11.6233","0.0001","19.2104","0.0001","90","","90.883","0.001","90","","1796.99","0.03","150","2","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O S3 -","- C18 H18 N2 O S3 -","- C72 H72 N8 O4 S12 -","4","1","","Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A.","Thiosquaramides: pH switchable anion transporters","Chemical Science","2014","5","9","3617","","10.1039/C4SC01629G","","","1.5418","CuKα","","0.0315","0.0296","","","0.1166","0.1199","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516771","18.2073","0.0006","11.9379","0.0002","19.5492","0.0006","90","","115.355","0.004","90","","3839.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 N2 O2 S4 -","- C36 H56 N2 O2 S4 -","- C144 H224 N8 O8 S16 -","4","1","","Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A.","Thiosquaramides: pH switchable anion transporters","Chemical Science","2014","5","9","3617","","10.1039/C4SC01629G","","","1.54184","CuKα","","0.104","0.0742","","","0.2098","0.2305","","","","","","1.11","","","","has coordinates,has disorder","204128","2020-10-21","18:00:00",""
"1516773","10.6163","0.0002","8.2221","0.0002","20.1917","0.0004","90","","97.374","0.002","90","","1747.92","0.06","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","2","","Wu, Xiang; Chen, Shu-Sen; Hu, Yue; Gong, Liu-Zhu","Gold-Catalyzed [1,5]-Hydride Shift onto Unactivated Alkynes To Trigger an Intermolecular Diels-Alder Reaction.","Organic letters","2014","16","14","3820","","10.1021/ol5017355","","","1.54184","CuKα","","0.0394","0.0358","","","0.095","0.0986","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516774","8.7957","0.0004","24.5476","0.0011","12.65","0.0005","90","","96.1755","0.0016","90","","2715.5","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Cl F6 N4 O5 S2 -","- C23 H23 Cl F6 N4 O5 S2 -","- C92 H92 Cl4 F24 N16 O20 S8 -","4","1","","Berry, Matthew T.; Castrejon, Disnay; Hein, Jason E.","Oxidative Esterification of Aldehydes Using Mesoionic 1,2,3-Triazolyl Carbene Organocatalysts.","Organic letters","2014","16","14","3676","","10.1021/ol501458p","","x-ray","0.71073","MoKα","K-L~3~","0.0476","0.0374","","","0.0847","0.0884","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516775","7.6867","0.0008","9.696","0.001","15.7952","0.0017","100.828","0.002","98.209","0.002","102.819","0.002","1106.3","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 O9 -","- C26 H22 O9 -","- C52 H44 O18 -","2","1","","Wright, Nathan E.; ElSohly, Adel M.; Snyder, Scott A.","Syntheses of Cyclotriveratrylene Analogues and Their Long Elusive Triketone Congeners.","Organic letters","2014","16","14","3644","","10.1021/ol501284s","","","0.71073","MoKα","","0.0684","0.0446","","","0.1168","0.1315","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516776","12.7447","0.0014","11.7233","0.0013","15.8897","0.0018","90","","96.2678","0.0016","90","","2359.9","0.5","130","2","130","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 O8 -","- C27 H26 O8 -","- C108 H104 O32 -","4","1","","Wright, Nathan E.; ElSohly, Adel M.; Snyder, Scott A.","Syntheses of Cyclotriveratrylene Analogues and Their Long Elusive Triketone Congeners.","Organic letters","2014","16","14","3644","","10.1021/ol501284s","","","0.71073","MoKα","","0.0541","0.0446","","","0.1227","0.1316","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516777","20.637","0.003","20.637","0.003","4.4453","0.0007","90","","90","","120","","1639.6","0.4","130","2","130","2","","","","","","","","3","P 3","P 3","143","","","","- C27 H30 O6 -","- C27 H30 O6 -","- C81 H90 O18 -","3","1","","Wright, Nathan E.; ElSohly, Adel M.; Snyder, Scott A.","Syntheses of Cyclotriveratrylene Analogues and Their Long Elusive Triketone Congeners.","Organic letters","2014","16","14","3644","","10.1021/ol501284s","","","0.71073","MoKα","","0.0467","0.0379","","","0.086","0.0915","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516778","8.514","0.0006","11.9243","0.0009","13.0666","0.0009","75.732","0.004","89.44","0.004","86.411","0.004","1283.1","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Br2 N2 O -","- C30 H22 Br2 N2 O -","- C60 H44 Br4 N4 O2 -","2","1","","Dawande, Sudam Ganpat; Kanchupalli, Vinaykumar; Lad, Bapurao Sudam; Rai, Jyoti; Katukojvala, Sreenivas","Synergistic Rhodium(II) Carboxylate and Brønsted Acid Catalyzed Multicomponent Reactions of Enalcarbenoids: Direct Synthesis of α-Pyrrolylbenzylamines.","Organic letters","2014","16","14","3700","","10.1021/ol501508f","","","0.71073","MoKα","","0.0615","0.0411","","","0.1029","0.1123","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516779","14.341","0.004","11.316","0.003","17.625","0.005","90","","114.01","","90","","2612.8","1.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C120 H112 O16 S8 -","8","2","","Liu, Feng-Lei; Chen, Jia-Rong; Zou, You-Quan; Wei, Qiang; Xiao, Wen-Jing","Three-Component Coupling Reaction Triggered by Insertion of Arynes into the S═O Bond of DMSO.","Organic letters","2014","16","14","3768","","10.1021/ol501638x","","","0.71073","MoKα","","0.0807","0.0456","","","0.1204","0.1652","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516780","11.2046","0.0005","5.9421","0.0002","15.3755","0.0007","90","","92.792","0.002","90","","1022.47","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H19 Br N2 O2 -","- C26 H19 Br N2 O2 -","- C52 H38 Br2 N4 O4 -","2","1","","Yang, Limin; Wang, Fei; Lee, Richmond; Lv, Yunbo; Huang, Kuo-Wei; Zhong, Guofu","Asymmetric NHC-Catalyzed Aza-Diels-Alder Reactions: Highly Enantioselective Route to α-Amino Acid Derivatives and DFT Calculations.","Organic letters","2014","16","15","3872","3875","10.1021/ol501424f","","","0.71073","MoKα","","0.0573","0.0369","","","0.0917","0.1237","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516781","8.324","0.0005","15.6431","0.0012","15.7979","0.0013","90","","94.896","0.001","90","","2049.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O2 S -","- C22 H26 N2 O2 S -","- C88 H104 N8 O8 S4 -","4","1","","Jiang, Bo; Tu, Xing-Jun; Wang, Xue; Tu, Shu-Jiang; Li, Guigen","Copper(I)-Catalyzed Multicomponent Reaction Providing a New Access to Fully Substituted Thiophene Derivatives.","Organic letters","2014","16","14","3656","","10.1021/ol501404x","","","0.71073","MoKα","","0.1104","0.0559","","","0.1034","0.1155","","","","","","1.07","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516782","14.552","0.0015","9.7511","0.0011","19.559","0.002","90","","105.499","0.002","90","","2674.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 N2 O3 S2 -","- C31 H22 N2 O3 S2 -","- C124 H88 N8 O12 S8 -","4","1","","Jiang, Bo; Tu, Xing-Jun; Wang, Xue; Tu, Shu-Jiang; Li, Guigen","Copper(I)-Catalyzed Multicomponent Reaction Providing a New Access to Fully Substituted Thiophene Derivatives.","Organic letters","2014","16","14","3656","","10.1021/ol501404x","","","0.71073","MoKα","","0.1695","0.0684","","","0.1092","0.1278","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516783","9.6372","0.0002","13.2613","0.0002","20.4245","0.0004","79.8271","0.0015","76.8586","0.0016","86.464","0.0016","2501.34","0.08","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C61 H51 N7 O6 -","- C61 H51 N7 O6 -","- C122 H102 N14 O12 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","1.54184","CuKα","","0.0602","0.0428","","","0.1114","0.1212","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516784","11.64397","0.00005","24.31232","0.00011","15.4118","0.00006","90","","104.526","0.0004","90","","4223.49","0.03","160","1","160","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H45 N5 O6 -","- C51 H45 N5 O6 -","- C204 H180 N20 O24 -","4","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","1.54184","CuKα","","0.044","0.0424","","","0.1122","0.1134","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516785","30.3556","0.0006","5.611","0.0001","13.1495","0.0002","90","","92.9605","0.0012","90","","2236.7","0.07","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 N3 O2 -","- C31 H19 N3 O2 -","- C124 H76 N12 O8 -","4","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71073","MoKα","","0.1069","0.0493","","","0.0975","0.1193","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516786","14.2809","0.0002","15.6419","0.0002","17.7181","0.0003","100.41","0.001","107.925","0.002","94.131","0.001","3669.16","0.11","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C72 H61 F12 Fe N7 O6 P2 -","- C62 H38 F12 Fe N6 O4 P2 -","- C124 H76 F24 Fe2 N12 O8 P4 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71073","MoKα","","0.0777","0.0635","","","0.1867","0.1956","","","","","","1.089","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516787","14.138","0.005","14.332","0.005","19.077","0.005","91.222","0.005","108.825","0.005","93.257","0.005","3650","2","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C76 H67 F12 N9 O6 P2 Ru -","- C64 H41 F12 N7 O4 P2 Ru -","- C128 H82 F24 N14 O8 P4 Ru2 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71069","MoKα","","0.1017","0.0789","","","0.2135","0.2286","","","","","","1.086","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516788","14.38087","0.00019","14.4368","0.00017","19.8","0.0002","96.8363","0.0009","107.786","0.001","91.1601","0.001","3879.48","0.08","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C78 H66 F12 N12 O5 P2 Zn -","- C66 H44 F12 N8 O4 P2 Zn -","- C132 H88 F24 N16 O8 P4 Zn2 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71073","MoKα","","0.0558","0.0482","","","0.1406","0.1459","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516789","32.6617","0.0014","8.8705","0.0003","25.8704","0.0009","90","","93.738","0.004","90","","7479.4","0.5","160","1","160","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H37 N5 O4 -","- C47 H37 N5 O4 -","- C376 H296 N40 O32 -","8","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","1.54184","CuKα","","0.1136","0.0751","","","0.1909","0.2239","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516790","17.3266","0.0002","21.9786","0.0003","23.2172","0.0002","99.59","0.001","108.832","0.001","107.228","0.001","7649.13","0.18","160","1","160","1","","","","","","","","8","P -1","-P 1","2","","","","- C142 H107 Ag2 F36 Fe2 N33 O8 P6 -","- C116 H68 Ag2 F36 Fe2 N20 O8 P6 -","- C232 H136 Ag4 F72 Fe4 N40 O16 P12 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71073","MoKα","","0.0904","0.0749","","","0.2149","0.2252","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516791","14.9414","0.0002","15.3956","0.0002","18.3235","0.0002","94.4451","0.0012","91.636","0.0011","113.008","0.0014","3860.05","0.09","160","2","160","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H50.5 Cu F18 Fe N15.5 O4 P3 -","- C62 H40 Cu F18 Fe N12 O4 P3 -","- C124 H80 Cu2 F36 Fe2 N24 O8 P6 -","2","1","","Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.","Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks","Chem. Sci.","2014","5","11","4317","","10.1039/C4SC01025F","","","0.71073","MoKα","","0.082","0.0643","","","0.1931","0.2069","","","","","","1.084","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1516792","6.6274","0.0003","9.4654","0.0003","12.3549","0.0004","82.12","0.002","80.651","0.003","79.408","0.002","747.1","0.05","100","2","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 I2 N2 O8 -","- C34 H26 I2 N2 O8 -","- C34 H26 I2 N2 O8 -","1","0.5","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","1.54178","CuKα","","0.0226","0.0209","","","0.0547","0.0557","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516793","6.7598","0.0004","22.6656","0.0013","9.1153","0.0005","90","","101.623","0.002","90","","1367.96","0.14","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Br2 N4 O8 -","- C28 H28 Br2 N4 O8 -","- C56 H56 Br4 N8 O16 -","2","0.5","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","1.54178","CuKα","","0.0227","0.0226","","","0.0576","0.0576","","","","","","1.081","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1516794","6.6819","0.0003","22.978","0.0011","8.8554","0.0004","90","","101.576","0.002","90","","1331.97","0.11","100","2","99.95","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl2 N4 O8 -","- C28 H28 Cl2 N4 O8 -","- C56 H56 Cl4 N8 O16 -","2","0.5","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","1.54178","CuKα","","0.0329","0.0315","","","0.0827","0.0837","","","","","","1.053","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1516795","7.2221","0.0005","9.4868","0.0007","13.2822","0.0009","93.245","0.003","102.205","0.003","99.769","0.003","872.51","0.11","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 I2 N3 O6 -","- C15 H13 I2 N3 O6 -","- C30 H26 I4 N6 O12 -","2","1","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","1.54178","CuKα","","0.0436","0.0383","","","0.1057","0.1098","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516796","7.3668","0.0002","5.4181","0.0002","12.525","0.0004","90","","92.257","0.002","90","","499.54","0.03","100","2","99.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H2 Br2 N2 O4 -","- C10 H2 Br2 N2 O4 -","- C20 H4 Br4 N4 O8 -","2","0.5","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","0.71073","MoKα","","0.0241","0.0216","","","0.055","0.0568","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516797","7.1051","0.0012","5.4752","0.001","12.252","0.002","90","","90.693","0.015","90","","476.59","0.14","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H2 Cl2 N2 O4 -","- C10 H2 Cl2 N2 O4 -","- C20 H4 Cl4 N4 O8 -","2","0.5","","Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser","Two-point halogen bonding between 3,6-dihalopyromellitic diimides","Chem. Sci.","2014","5","11","4242","","10.1039/C4SC00999A","","","1.54178","CuKα","","0.0365","0.0313","","","0.0813","0.0844","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516798","6.2502","0.00011","7.11208","0.00013","31.0868","0.0006","90","","90","","90","","1381.87","0.04","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Br O4 -","- C14 H15 Br O4 -","- C56 H60 Br4 O16 -","4","1","","Choi, Jae-Hoon; Suzuki, Tomohiro; Okumura, Hiroshi; Noguchi, Keiichi; Kondo, Mitsuru; Nagai, Kaoru; Hirai, Hirofumi; Kawagishi, Hirokazu","Endoplasmic Reticulum Stress Suppressive Compounds from the Edible Mushroom Mycoleptodonoides aitchisonii.","Journal of natural products","2014","77","7","1729","1733","10.1021/np500075m","","","1.54187","CuKα","","0.0254","0.0235","","","0.0594","0.0612","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516799","14.899","0.003","5.697","0.0011","17.092","0.005","90","","93.694","0.007","90","","1447.7","0.6","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H25 Br3 O6 -","- C32 H25 Br3 O6 -","- C64 H50 Br6 O12 -","2","1","","Choi, Jae-Hoon; Suzuki, Tomohiro; Okumura, Hiroshi; Noguchi, Keiichi; Kondo, Mitsuru; Nagai, Kaoru; Hirai, Hirofumi; Kawagishi, Hirokazu","Endoplasmic Reticulum Stress Suppressive Compounds from the Edible Mushroom Mycoleptodonoides aitchisonii.","Journal of natural products","2014","77","7","1729","1733","10.1021/np500075m","","","0.71075","MoKα","","","0.066","","","","0.1287","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516800","5.1951","0.0006","5.5041","0.0006","11.4271","0.0013","102.665","0.008","90.998","0.009","107.131","0.009","303.48","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","DL-homocysteine","","","- C4 H9 N O2 S -","- C4 H9 N O2 S -","- C8 H18 N2 O4 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.","Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling.","The journal of physical chemistry. B","2014","118","29","8513","8523","10.1021/jp503154x","","","0.71073","MoKα","","0.0482","0.0382","","","0.1015","0.106","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516801","5.1915","0.0006","5.5032","0.0006","11.411","0.0013","102.745","0.009","91.059","0.009","107.105","0.009","302.7","0.06","275","2","275","2","","","","","","","","5","P -1","-P 1","2","DL-homocysteine","","","- C4 H9 N O2 S -","- C4 H9 N O2 S -","- C8 H18 N2 O4 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.","Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling.","The journal of physical chemistry. B","2014","118","29","8513","8523","10.1021/jp503154x","","","0.71073","MoKα","","0.0487","0.038","","","0.0963","0.1005","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516802","5.1897","0.0006","5.5033","0.0006","11.3966","0.0013","102.817","0.009","91.102","0.009","107.1","0.009","302.1","0.06","255","2","255","2","","","","","","","","5","P -1","-P 1","2","DL-homocysteine","","","- C4 H9 N O2 S -","- C4 H9 N O2 S -","- C8 H18 N2 O4 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.","Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling.","The journal of physical chemistry. B","2014","118","29","8513","8523","10.1021/jp503154x","","","0.71073","MoKα","","0.0458","0.0378","","","0.0979","0.101","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516803","5.185","0.0006","5.5008","0.0006","11.3777","0.0012","102.875","0.008","91.152","0.009","107.075","0.008","301.13","0.06","235","2","235","2","","","","","","","","5","P -1","-P 1","2","DL-homocysteine","","","- C4 H9 N O2 S -","- C4 H9 N O2 S -","- C8 H18 N2 O4 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.","Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling.","The journal of physical chemistry. B","2014","118","29","8513","8523","10.1021/jp503154x","","","0.71073","MoKα","","0.0449","0.0369","","","0.0961","0.0991","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516804","5.1838","0.0006","5.5014","0.0006","11.3669","0.0012","102.934","0.008","91.19","0.009","107.073","0.008","300.71","0.06","215","2","215","2","","","","","","","","5","P -1","-P 1","2","DL-homocysteine","","","- C4 H9 N O2 S -","- C4 H9 N O2 S -","- C8 H18 N2 O4 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.","Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling.","The journal of physical chemistry. B","2014","118","29","8513","8523","10.1021/jp503154x","","","0.71073","MoKα","","0.0436","0.0369","","","0.0976","0.1006","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516805","5.1788","0.0005","5.499","0.0005","11.3501","0.0011","102.992","0.008","91.237","0.008","107.058","0.008","299.77","0.05","195","2","195","2","","","","","","","","5","P -1","-P 1","2","DL-homocysteine","","","- C4 H9 N O2 S -","- C4 H9 N O2 S -","- C8 H18 N2 O4 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.","Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling.","The journal of physical chemistry. B","2014","118","29","8513","8523","10.1021/jp503154x","","","0.71073","MoKα","","0.0407","0.0347","","","0.0915","0.0942","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516806","5.1785","0.0005","5.5003","0.0005","11.3433","0.0011","103.032","0.008","91.273","0.008","107.054","0.008","299.58","0.05","175","2","175","2","","","","","","","","5","P -1","-P 1","2","DL-homocysteine","","","- C4 H9 N O2 S -","- C4 H9 N O2 S -","- C8 H18 N2 O4 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.","Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling.","The journal of physical chemistry. B","2014","118","29","8513","8523","10.1021/jp503154x","","","0.71073","MoKα","","0.0403","0.0345","","","0.0905","0.0929","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516807","5.1741","0.0005","5.4977","0.0005","11.3292","0.0011","103.079","0.008","91.286","0.008","107.046","0.008","298.75","0.05","155","2","155","2","","","","","","","","5","P -1","-P 1","2","DL-homocysteine","","","- C4 H9 N O2 S -","- C4 H9 N O2 S -","- C8 H18 N2 O4 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.","Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling.","The journal of physical chemistry. B","2014","118","29","8513","8523","10.1021/jp503154x","","","0.71073","MoKα","","0.0391","0.0338","","","0.0898","0.092","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516808","5.1725","0.0005","5.4987","0.0005","11.3229","0.0011","103.123","0.008","91.313","0.008","107.03","0.008","298.5","0.05","135","2","135","2","","","","","","","","5","P -1","-P 1","2","DL-homocysteine","","","- C4 H9 N O2 S -","- C4 H9 N O2 S -","- C8 H18 N2 O4 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.","Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling.","The journal of physical chemistry. B","2014","118","29","8513","8523","10.1021/jp503154x","","","0.71073","MoKα","","0.0403","0.0342","","","0.0906","0.0928","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516809","5.1707","0.0005","5.4969","0.0005","11.3141","0.0011","103.133","0.008","91.352","0.008","107.033","0.008","298.02","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","DL-homocysteine","","","- C4 H9 N O2 S -","- C4 H9 N O2 S -","- C8 H18 N2 O4 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.","Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling.","The journal of physical chemistry. B","2014","118","29","8513","8523","10.1021/jp503154x","","","0.71073","MoKα","","0.0359","0.0317","","","0.0821","0.0836","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516810","5.1682","0.0005","5.4961","0.0005","11.3055","0.0011","103.162","0.008","91.377","0.008","107.022","0.008","297.58","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","DL-homocysteine","","","- C4 H9 N O2 S -","- C4 H9 N O2 S -","- C8 H18 N2 O4 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.","Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling.","The journal of physical chemistry. B","2014","118","29","8513","8523","10.1021/jp503154x","","","0.71073","MoKα","","0.0338","0.0304","","","0.0795","0.081","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516811","6.9109","0.0011","13.975","0.002","10.4052","0.0016","90","","106.962","0.003","90","","961.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br N O5 -","- C20 H22 Br N O5 -","- C40 H44 Br2 N2 O10 -","2","1","","Gao, Run-Duo; Liu, Chuan; Dai, Li-Xin; Zhang, Wei; You, Shu-Li","Pd(0)-Catalyzed Alkenylation and Allylic Dearomatization Reactions between Nucleophile-Bearing Indoles and Propargyl Carbonate.","Organic letters","2014","16","15","3919","3921","10.1021/ol501704q","","","0.71073","MoKα","","0.0672","0.0567","","","0.1459","0.153","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516812","27.454","0.009","32.678","0.011","6.833","0.003","90","","90","","90","","6130","4","173","","173","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C288 H256 N32 O48 -","16","1","","Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D.","Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies","Chemical Science","2014","5","9","3651","","10.1039/C4SC00879K","","","1.54187","CuKα","","","0.053","","","","0.1415","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516813","6.2771","0.001","11.7706","0.0018","8.7028","0.0013","90","","97.826","0.005","90","","637.02","0.17","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","","Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D.","Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies","Chemical Science","2014","5","9","3651","","10.1039/C4SC00879K","","","1.54187","CuKα","","","0.0482","","","","0.1307","","","","","","1.342","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516814","28.94","0.009","5.9109","0.0015","9.179","0.003","90","","90","","90","","1570.2","0.8","93","","93","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D.","Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies","Chemical Science","2014","5","9","3651","","10.1039/C4SC00879K","","","0.71075","MoKα","","","0.0353","","","","0.0859","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516815","5.504","0.004","26.45","0.014","11.354","0.006","90","","94.55","0.016","90","","1647.7","1.7","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D.","Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies","Chemical Science","2014","5","9","3651","","10.1039/C4SC00879K","","","1.54187","CuKα","","","0.0949","","","","0.3124","","","","","","1.133","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516826","9.264","0.0001","10.161","0.0003","30.399","0.0007","90","","90","","90","","2861.5","0.11","298","2","298","2","","","","","","","Ganoderma sp. KM01","3","P 21 21 21","P 2ac 2ab","19","Ganodermalactone C","","","- C32 H46 O6 -","- C32 H46 O6 -","- C128 H184 O24 -","4","1","","Lakornwong, Waranya; Kanokmedhakul, Kwanjai; Kanokmedhakul, Somdej; Kongsaeree, Palangpon; Prabpai, Samran; Sibounnavong, Phoutthasone; Soytong, Kasem","Triterpene Lactones from Cultures of Ganoderma sp. KM01.","Journal of natural products","2014","77","7","1545","1553","10.1021/np400846k","","x-ray","0.71073","MoKα","","0.087","0.0538","","","0.1181","0.1334","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516827","7.304","0.0003","15.576","0.0008","11.301","0.0006","90","","100.378","0.003","90","","1264.65","0.11","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O5 -","- C30 H38 O5 -","- C60 H76 O10 -","2","1","","Lakornwong, Waranya; Kanokmedhakul, Kwanjai; Kanokmedhakul, Somdej; Kongsaeree, Palangpon; Prabpai, Samran; Sibounnavong, Phoutthasone; Soytong, Kasem","Triterpene Lactones from Cultures of Ganoderma sp. KM01.","Journal of natural products","2014","77","7","1545","1553","10.1021/np400846k","","","0.71073","MoKα","","0.0424","0.0378","","","0.0911","0.0949","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516828","7.13","0.0003","15.575","0.0011","22.969","0.0015","90","","90","","90","","2550.7","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Ganodermalactone H","","","- C30 H36 O6 -","- C30 H36 O6 -","- C120 H144 O24 -","4","1","","Lakornwong, Waranya; Kanokmedhakul, Kwanjai; Kanokmedhakul, Somdej; Kongsaeree, Palangpon; Prabpai, Samran; Sibounnavong, Phoutthasone; Soytong, Kasem","Triterpene Lactones from Cultures of Ganoderma sp. KM01.","Journal of natural products","2014","77","7","1545","1553","10.1021/np400846k","","","0.71073","MoKα","","0.057","0.0425","","","0.0964","0.1097","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516829","10.4484","0.0002","12.9132","0.0002","14.4521","0.0003","105.509","0.002","110.788","0.002","101.371","0.002","1661.72","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H38 Cl3 N O7 -","- C35 H38 Cl3 N O7 -","- C70 H76 Cl6 N2 O14 -","2","1","","Noor, Asif; Moratti, Stephen C.; Crowley, James D.","Active-template synthesis of “click” [2]rotaxane ligands: self-assembly of mechanically interlocked metallo-supramolecular dimers, macrocycles and oligomers","Chem. Sci.","2014","5","11","4283","","10.1039/C4SC01438C","","","1.5418","CuKα","","0.0709","0.0699","","","0.2765","0.2795","","","","","","2.637","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516830","11.0298","0.0007","12.4731","0.001","15.6946","0.0012","87.5","0.004","72.011","0.004","67.114","0.004","1884.8","0.3","89","2","89","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H82 Ag2 F6 N2 O22 S2 -","- C72 H82 Ag2 F6 N2 O22 S2 -","- C72 H82 Ag2 F6 N2 O22 S2 -","1","0.5","","Noor, Asif; Moratti, Stephen C.; Crowley, James D.","Active-template synthesis of “click” [2]rotaxane ligands: self-assembly of mechanically interlocked metallo-supramolecular dimers, macrocycles and oligomers","Chem. Sci.","2014","5","11","4283","","10.1039/C4SC01438C","","","0.71073","MoKα","","0.0661","0.042","","","0.0919","0.1109","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516831","17.892","0.005","14.886","0.005","15.952","0.005","90","","110.371","0.005","90","","3983","2","100","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 B2 Cl2 F8 Fe N6 -","- C44 H32 B2 Cl2 F8 Fe N6 -","- C176 H128 B8 Cl8 F32 Fe4 N24 -","4","1","","Noor, Asif; Moratti, Stephen C.; Crowley, James D.","Active-template synthesis of “click” [2]rotaxane ligands: self-assembly of mechanically interlocked metallo-supramolecular dimers, macrocycles and oligomers","Chem. Sci.","2014","5","11","4283","","10.1039/C4SC01438C","","","0.71069","MoKα","","0.0569","0.0529","","","0.1298","0.132","","","","","","1.152","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516832","11.7263","0.0002","13.0863","0.0002","19.3723","0.0003","85.925","0.001","79.517","0.001","76.411","0.001","2840.06","0.08","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H30 O6 -","- C36 H30 O6 -","- C144 H120 O24 -","4","2","","Bruzek, Matthew J.; Anthony, John E.","Synthesis and optical properties of dioxolane-functionalized hexacenes and heptacenes.","Organic letters","2014","16","13","3608","3610","10.1021/ol501373s","","","1.54178","CuKα","","0.0379","0.0354","","","0.0976","0.0997","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516833","6.0156","0.0002","8.3441","0.0003","18.7234","0.0006","95.527","0.003","97.68","0.002","99.574","0.003","911.63","0.05","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H48 O6 -","- C48 H48 O6 -","- C48 H48 O6 -","1","0.5","","Bruzek, Matthew J.; Anthony, John E.","Synthesis and optical properties of dioxolane-functionalized hexacenes and heptacenes.","Organic letters","2014","16","13","3608","3610","10.1021/ol501373s","","","1.54178","CuKα","","0.0572","0.0536","","","0.1518","0.1536","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516834","6.0151","0.0001","17.0075","0.0003","20.7444","0.0003","90","","95.875","0.001","90","","2111.04","0.06","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H52 O6 -","- C51 H52 O6 -","- C102 H104 O12 -","2","0.5","","Bruzek, Matthew J.; Anthony, John E.","Synthesis and optical properties of dioxolane-functionalized hexacenes and heptacenes.","Organic letters","2014","16","13","3608","3610","10.1021/ol501373s","","","1.54178","CuKα","","0.0773","0.0726","","","0.1764","0.1802","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516835","11.6469","0.0004","12.2824","0.0004","14.1122","0.0004","82.427","0.002","72.489","0.002","84.915","0.002","1905.87","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H48 Cl4 N8 O12 Pb4 S4 -","- C76 H48 Cl4 N8 O12 Pb4 S4 -","- C76 H48 Cl4 N8 O12 Pb4 S4 -","1","0.5","","Jennifer, Samson; Thomas Muthiah, Packianathan","Syntheses and characterization of two novel tetranuclear lead(II) clusters self-assembled by hydrogen bonded interactions","Chemistry Central Journal","2014","8","1","39","","10.1186/1752-153X-8-39","","","0.71073","MoKα","","0.0804","0.0381","","","0.0878","0.1054","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516836","11.5185","0.0002","12.225","0.0002","14.7743","0.0002","81.913","0.001","72.349","0.001","84.455","0.001","1959.55","0.05","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H48 Cl4 N8 O12 Pb4 S4 -","- C80 H48 Cl4 N8 O12 Pb4 S4 -","- C80 H48 Cl4 N8 O12 Pb4 S4 -","1","0.5","","Jennifer, Samson; Thomas Muthiah, Packianathan","Syntheses and characterization of two novel tetranuclear lead(II) clusters self-assembled by hydrogen bonded interactions","Chemistry Central Journal","2014","8","1","39","","10.1186/1752-153X-8-39","","","0.71073","MoKα","","0.0299","0.0232","","","0.0586","0.0618","","","","","","1.179","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516837","26.838","0.005","9.9597","0.0016","18.698","0.003","90","","133.339","0.004","90","","3635","1.1","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C168 H184 N8 O32 -","8","1","","Yuan, Ji-Wen; Qiu, Han-Yue; Wang, Peng-Fei; Makawana, Jigar A.; Yang, Yong-An; Zhang, Fei; Yin, Yong; Lin, Jie; Wang, Zhong-Chang; Zhu, Hai-Liang","Synthesis of caffeic acid amides bearing 2,3,4,5-tetra-hydrobenzo[b][1,4]dioxocine moieties and their biological evaluation as antitumor agents.","Molecules (Basel, Switzerland)","2014","19","6","7269","7286","10.3390/molecules19067269","","","0.71073","MoKα","","0.1965","0.0575","","","0.0984","0.131","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516838","18.93","0.007","5.8718","0.0019","18.364","0.005","90","","105.364","0.012","90","","1968.3","1.1","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N4 O3 -","- C19 H27 N4 O3 -","- C76 H108 N16 O12 -","4","1","","Price, Jacquelyn T.; Paquette, Joseph A.; Harrison, Christopher S.; Bauld, Reg; Fanchini, Giovanni; Gilroy, Joe B.","6-Oxoverdazyl radical polymers with tunable electrochemical properties","Polymer Chemistry","2014","","","","","10.1039/c4py00829d","","","0.71073","MoKα","","0.0891","0.0515","","","0.1282","0.1527","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516839","16.219","0.007","15.484","0.009","5.7192","0.0014","90","","90","","90","","1436.3","1.1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H19 N4 O -","- C14 H19 N4 O -","- C56 H76 N16 O4 -","4","1","","Price, Jacquelyn T.; Paquette, Joseph A.; Harrison, Christopher S.; Bauld, Reg; Fanchini, Giovanni; Gilroy, Joe B.","6-Oxoverdazyl radical polymers with tunable electrochemical properties","Polymer Chemistry","2014","","","","","10.1039/c4py00829d","","","0.71073","MoKα","","0.0378","0.0313","","","0.0735","0.0767","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516840","8.1059","0.0016","13.501","0.005","15.435","0.006","90","","99.864","0.01","90","","1664.2","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 B F4 N4 O -","- C14 H19 B F4 N4 O -","- C56 H76 B4 F16 N16 O4 -","4","1","","Price, Jacquelyn T.; Paquette, Joseph A.; Harrison, Christopher S.; Bauld, Reg; Fanchini, Giovanni; Gilroy, Joe B.","6-Oxoverdazyl radical polymers with tunable electrochemical properties","Polymer Chemistry","2014","","","","","10.1039/c4py00829d","","","0.71073","MoKα","","0.0818","0.058","","","0.1489","0.1685","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516882","7.8201","0.0006","15.7081","0.0011","21.1791","0.0015","90","","90","","90","","2601.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 I O2 -","- C14 H13 I O2 -","- C112 H104 I8 O16 -","8","1","","Yang, Yanping; Cui, Mengchao; Zhang, Xiaoyang; Dai, Jiapei; Zhang, Zhiyong; Lin, Chunping; Guo, Yuzhi; Liu, Boli","Radioiodinated Benzyloxybenzene Derivatives: A Class of Flexible Ligands Target to β-Amyloid Plaques in Alzheimer's Brains.","Journal of medicinal chemistry","2014","57","14","6030","6042","10.1021/jm5004396","","","0.71073","MoKα","","0.02","0.0171","","","0.0396","0.0408","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516883","6.1079","0.0012","7.2239","0.0014","28.327","0.005","90","","90","","90","","1249.9","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 I O2 -","- C14 H13 I O2 -","- C56 H52 I4 O8 -","4","1","","Yang, Yanping; Cui, Mengchao; Zhang, Xiaoyang; Dai, Jiapei; Zhang, Zhiyong; Lin, Chunping; Guo, Yuzhi; Liu, Boli","Radioiodinated Benzyloxybenzene Derivatives: A Class of Flexible Ligands Target to β-Amyloid Plaques in Alzheimer's Brains.","Journal of medicinal chemistry","2014","57","14","6030","6042","10.1021/jm5004396","","","0.71073","MoKα","","0.0309","0.0252","","","0.047","0.0494","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516884","18.1584","0.0002","8.4052","0.0001","24.416","0.0003","90","","129.367","0.001","90","","2880.95","0.07","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 B Cl2 F4 N O5 -","- C27 H32 B Cl2 F4 N O5 -","- C108 H128 B4 Cl8 F16 N4 O20 -","4","1","","Gouin, Jérôme; Bürgi, Thomas; Guénée, Laure; Lacour, Jérôme","Convergent Synthesis, Resolution, and Chiroptical Properties of Dimethoxychromenoacridinium Ions.","Organic letters","2014","16","14","3800","","10.1021/ol501692r","","","1.54184","CuKα","","0.0549","0.0498","","","0.1399","0.1456","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516885","10.84","0.002","14.869","0.003","19.149","0.004","90","","91.19","0.03","90","","3085.8","1.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","2","2","","- C29 H49 O Si2 U -","- C29 H49 O Si2 U -","- C116 H196 O4 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0423","0.0284","","","0.0602","0.0648","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516886","11.789","0.002","18.961","0.004","14.176","0.003","90","","96.89","0.03","90","","3145.9","1.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","3","3","","- C30 H51 O Si2 U -","- C30 H51 O Si2 U -","- C120 H204 O4 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0559","0.0363","","","0.0732","0.0796","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516887","12.092","0.002","19.621","0.004","13.755","0.003","90","","96.3","0.03","90","","3243.8","1.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","4","4","","- C31 H53 O Si2 U -","- C31 H53 O Si2 U -","- C124 H212 O4 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0614","0.0391","","","0.0753","0.0823","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516888","22.913","0.005","13.686","0.003","38.185","0.008","90","","107.06","0.03","90","","11447","5","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","6","6","","- C48 H76.5 O Si4 U2 -","- C48.014 H76.542 O Si4 U2 -","- C384.112 H612.336 O8 Si32 U16 -","8","2","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0913","0.0508","","","0.1166","0.1285","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516889","10.48","0.002","21.616","0.004","23.669","0.005","90","","90","","90","","5361.9","1.8","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","7","7","","- C50 H78 O4 Si4 U2 -","- C50 H78 O4 Si4 U2 -","- C200 H312 O16 Si16 U8 -","4","0.5","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.176","0.0787","","","0.1014","0.1221","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516890","21.741","0.004","23.447","0.005","10.829","0.002","90","","90","","90","","5520.2","1.9","173","2","173","2","","","","","","","synthesis as described","5","C m c a","-C 2ac 2","64","8","8","","- C54 H86 O4 Si4 U2 -","- C54 H86 O4 Si4 U2 -","- C216 H344 O16 Si16 U8 -","4","","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0672","0.0437","","","0.0835","0.0901","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1516891","12.917","0.003","13.555","0.003","16.582","0.003","90","","100.86","0.03","90","","2851.3","1.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","9","9","","- C27 H43 O2 Si2 U -","- C27 H43 O2 Si2 U -","- C108 H172 O8 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0743","0.0452","","","0.097","0.1103","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516892","23.33","0.005","21.46","0.004","10.71","0.002","90","","90","","90","","5362.1","1.8","173","2","173","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","11","11","","- C53 H86 O3 Si4 U2 -","- C53 H86 O3 Si4 U2 -","- C212 H344 O12 Si16 U8 -","4","0.5","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0789","0.0524","","","0.1214","0.1336","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516893","43.8503","0.0011","10.3313","0.0002","24.2758","0.0006","90","","90","","90","","10997.7","0.4","173","2","173","2","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","12","12","","- C58 H86 O3 Si4 U2 -","- C53 H85.5 O3 Si4 U2 -","- C424 H684 O24 Si32 U16 -","8","2","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2 by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0626","0.0449","","","0.0736","0.0794","","","","","","1.025","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1516894","11.737","0.002","18.983","0.004","25.761","0.005","90","","95.43","0.03","90","","5713.9","1.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","13","","- C55 H90 O3 Si4 U2 -","- C55 H90 O3 Si4 U2 -","- C220 H360 O12 Si16 U8 -","4","1","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0659","0.0443","","","0.1035","0.1142","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516964","7.55755","0.00012","11.47093","0.00016","11.51584","0.00018","90","","109.278","0.001","90","","942.36","0.03","300","","300","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Eu2 Mo3 O12 -","- Eu2 Mo3 O12 -","- Eu8 Mo12 O48 -","4","0.5","","Atuchin, V. V.; Aleksandrovsky, A. S.; Chimitova, O. D.; Gavrilova, T. A.; Krylov, A. S.; Molokeev, M. S.; Oreshonkov, A. S.; Bazarov, B. G.; Bazarova, J. G.","Synthesis and Spectroscopic Properties of Monoclinic α-Eu2(MoO4)3","The Journal of Physical Chemistry C","2014","118","28","15404","","10.1021/jp5040739","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.842","1.369","","","1.17","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1516965","9.5166","0.0009","15.4363","0.0015","15.1805","0.0015","90","","96.671","0.002","90","","2214.9","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N2 -","- C28 H24 N2 -","- C112 H96 N8 -","4","1","","Mo, Dong-Liang; Pecak, Wiktoria H.; Zhao, Meng; Wink, Donald J.; Anderson, Laura L.","Synthesis of N-Styrenyl Amidines from α,β-Unsaturated Nitrones and Isocyanates through CO2 Elimination and Styrenyl Migration.","Organic letters","2014","16","14","3696","","10.1021/ol501503a","","","0.71073","MoKα","","0.0757","0.0416","","","0.1238","0.1499","","","","","","0.931","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516966","9.3932","0.0006","18.3398","0.0015","23.3368","0.0018","90","","90","","90","","4020.2","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C184 H176 N16 O8 -","8","1","","Das, Arindam; Alam, Rauful; Eriksson, Lars; Szabó, Kálmán J","Stereocontrol in synthesis of homoallylic amines. Syn selective direct allylation of hydrazones with allylboronic acids.","Organic letters","2014","16","14","3808","3811","10.1021/ol501699x","","","0.71073","MoKα","","0.1933","0.0969","","","0.1636","0.2021","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516967","9.148","0.0003","10.4716","0.0004","10.7014","0.0004","102.932","0.003","112.881","0.003","94.888","0.003","903.42","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O -","- C20 H24 N2 O -","- C40 H48 N4 O2 -","2","1","","Das, Arindam; Alam, Rauful; Eriksson, Lars; Szabó, Kálmán J","Stereocontrol in synthesis of homoallylic amines. Syn selective direct allylation of hydrazones with allylboronic acids.","Organic letters","2014","16","14","3808","3811","10.1021/ol501699x","","","0.71073","MoKα","","0.0507","0.0447","","","0.1165","0.121","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516968","8.0129","0.0019","8.8764","0.0018","14.284","0.003","75.661","0.009","88.56","0.011","73.636","0.007","943.3","0.4","173.15","","173.15","","","","","","","","","4","P 1","P 1","1","","","","- C23 H19 Br O4 -","- C23 H19 Br O4 -","- C46 H38 Br2 O8 -","2","2","","Li, Lijun; Su, Cunxiang; Liu, Xiaoqin; Tian, Hua; Shi, Yian","Catalytic Asymmetric Intermolecular Bromoesterification of Unfunctionalized Olefins.","Organic letters","2014","16","14","3728","","10.1021/ol501542r","","","0.71073","MoKα","","0.0563","0.0496","","","0.0966","0.1017","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516969","10.488","0.003","8.97","0.002","10.599","0.003","90","","107.296","0.003","90","","952","0.4","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O -","- C10 H11 Br O -","- C40 H44 Br4 O4 -","4","2","","Li, Lijun; Su, Cunxiang; Liu, Xiaoqin; Tian, Hua; Shi, Yian","Catalytic Asymmetric Intermolecular Bromoesterification of Unfunctionalized Olefins.","Organic letters","2014","16","14","3728","","10.1021/ol501542r","","","0.71073","MoKα","","0.0395","0.0368","","","0.0811","0.0831","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516970","11.041","0.002","6.6793","0.0013","12.193","0.002","90","","102.07","0.03","90","","879.3","0.3","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 Br O2 -","- C22 H19 Br O2 -","- C44 H38 Br2 O4 -","2","1","","Li, Lijun; Su, Cunxiang; Liu, Xiaoqin; Tian, Hua; Shi, Yian","Catalytic Asymmetric Intermolecular Bromoesterification of Unfunctionalized Olefins.","Organic letters","2014","16","14","3728","","10.1021/ol501542r","","","0.71073","MoKα","","0.0537","0.0494","","","0.1163","0.12","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516971","20.888","0.012","7.515","0.004","14.089","0.008","90","","129.736","0.006","90","","1700.7","1.7","173.15","","173.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H17 Br O2 -","- C21 H17 Br O2 -","- C84 H68 Br4 O8 -","4","1","","Li, Lijun; Su, Cunxiang; Liu, Xiaoqin; Tian, Hua; Shi, Yian","Catalytic Asymmetric Intermolecular Bromoesterification of Unfunctionalized Olefins.","Organic letters","2014","16","14","3728","","10.1021/ol501542r","","","0.71073","MoKα","","0.0555","0.0514","","","0.1128","0.1162","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516972","10.027","0.003","10.035","0.003","10.325","0.004","113.27","0.002","114.37","0.002","96.32","0.002","821.8","0.5","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 Br N O2 S -","- C17 H18 Br N O2 S -","- C34 H36 Br2 N2 O4 S2 -","2","1","","Li, Lijun; Su, Cunxiang; Liu, Xiaoqin; Tian, Hua; Shi, Yian","Catalytic Asymmetric Intermolecular Bromoesterification of Unfunctionalized Olefins.","Organic letters","2014","16","14","3728","","10.1021/ol501542r","","","0.71073","MoKα","","0.0414","0.0384","","","0.0913","0.0935","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516973","5.3994","0.0012","14.277","0.004","20.499","0.005","90","","90","","90","","1580.2","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Mukherjee, Manjira; Pal, Siddhartha; Lohar, Somenath; Sen, Buddhadeb; Sen, Supriti; Banerjee, Samya; Banerjee, Snehasis; Chattopadhyay, Pabitra","A napthelene-pyrazol conjugate: Al(iii) ion-selective blue shifting chemosensor applicable as biomarker in aqueous solution.","The Analyst","2014","139","19","4828","4835","10.1039/c4an01039f","","","0.71073","MoKα","","0.2337","0.0683","","","0.114","0.1656","","","","","","0.93","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516974","24.8949","0.0005","42.564","0.003","32.7857","0.0006","90","","90","","90","","34741","3","95","2","95","2","","","","","","","","5","P n m a","-P 2ac 2n","62","UMCM-12","","","- C98 H68 N2 O26 Zn8 -","- C98 H68 N2 O26 Zn8 -","- C392 H272 N8 O104 Zn32 -","4","0.5","","Dutta, Ananya; Wong-Foy, Antek G.; Matzger, Adam J.","Coordination copolymerization of three carboxylate linkers into a pillared layer framework","Chemical Science","2014","5","10","3729","","10.1039/C3SC53549E","","","1.54178","CuKα","","0.0966","0.0651","","","0.1473","0.1525","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516975","17.1259","0.0004","32.5986","0.0008","25.1806","0.0018","90","","99.471","0.007","90","","13866.2","1.1","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","UMCM-10","","","- C43 H30 N O13 Zn4 -","- C43 H30 N O13 Zn4 -","- C172 H120 N4 O52 Zn16 -","4","1","","Dutta, Ananya; Wong-Foy, Antek G.; Matzger, Adam J.","Coordination copolymerization of three carboxylate linkers into a pillared layer framework","Chemical Science","2014","5","10","3729","","10.1039/C3SC53549E","","","1.54187","CuKα","","0.1594","0.1097","","","0.3315","0.3829","","","","","","1.197","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516976","13.1254","0.0002","13.0009","0.0002","13.7872","0.0002","90","","109.269","0.002","90","","2220.88","0.06","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 F3 N3 O6 Re S -","- C21 H13 F3 N3 O6 Re S -","- C84 H52 F12 N12 O24 Re4 S4 -","4","1","","Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción","Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy","Chem. Sci.","2014","5","11","4434","","10.1039/C4SC01684J","","","0.71073","MoKα","","0.0158","0.0144","","","0.0347","0.0352","","","","","","1.085","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1516977","9.4683","0.0001","16.4296","0.0002","26.0868","0.0003","92.497","0.001","92.66","0.001","91.206","0.001","4048.77","0.08","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H33 Au F6 N3 O4 P2 Re -","- C41 H33 Au F6 N3 O4 P2 Re -","- C164 H132 Au4 F24 N12 O16 P8 Re4 -","4","2","","Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción","Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy","Chem. Sci.","2014","5","11","4434","","10.1039/C4SC01684J","","","0.71073","MoKα","","0.0358","0.0272","","","0.0606","0.0641","","","","","","1.037","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1516978","8.9054","0.0004","9.077","0.0005","22.963","0.0008","84.156","0.004","88.572","0.003","88.527","0.004","1845.48","0.15","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C38 H28 Au F3 N4 O6 P Re S -","- C38 H28 Au F3 N4 O6 P Re S -","- C76 H56 Au2 F6 N8 O12 P2 Re2 S2 -","2","1","","Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción","Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy","Chem. Sci.","2014","5","11","4434","","10.1039/C4SC01684J","","","0.71073","MoKα","","0.0995","0.0873","","","0.2213","0.228","","","","","","1.142","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1516979","13.0494","0.0002","13.4519","0.0002","22.5256","0.0004","95.947","0.001","99.847","0.001","102.157","0.001","3768.28","0.11","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C37 H31 Au F3 N4 O6.5 P Re S -","- C37 H31 Au F3 N4 O6.5 P Re S -","- C148 H124 Au4 F12 N16 O26 P4 Re4 S4 -","4","2","","Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción","Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy","Chem. Sci.","2014","5","11","4434","","10.1039/C4SC01684J","","","0.71073","MoKα","","0.0261","0.024","","","0.0525","0.0533","","","","","","1.103","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1516980","7.16538","0.00016","8.2062","0.00019","11.6136","0.0003","85.818","0.001","88.406","0.001","82.354","0.001","674.9","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C28 H28 N8 O8 -","2","1","","Appel, Wilco P. J.; Nieuwenhuizen, Marko M. L.; Lutz, Martin; de Waal, Bas F. M.; Palmans, Anja R. A.; Meijer, E. W.","Supramolecular chemistry with ureido-benzoic acids","Chemical Science","2014","5","10","3735","","10.1039/C4SC00871E","","","0.71073","MoKα","","0.0485","0.0382","","","0.1005","0.107","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517020","11.5485","0.0003","16.5802","0.0004","20.5991","0.0004","90","","90","","90","","3944.24","0.16","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C176 H208 N16 O32 -","8","1","","Schurgers, Ben; Brigou, Ben; Urbanczyk-Lipkowska, Zofia; Tourwé, Dirk; Ballet, Steven; De Proft, Frank; Van Lommen, Guy; Verniest, Guido","Synthesis of Fused 3-Aminoazepinones via Trapping of a New Class of Cyclic Seven-Membered Allenamides with Furan.","Organic letters","2014","16","14","3712","3715","10.1021/ol501529z","","","1.54178","CuKα","","0.0417","0.0391","","","0.1019","0.1041","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517021","9.918","0.0004","26.3168","0.0009","7.8796","0.0003","90","","97.924","0.002","90","","2037.02","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C88 H104 N8 O16 -","4","1","","Schurgers, Ben; Brigou, Ben; Urbanczyk-Lipkowska, Zofia; Tourwé, Dirk; Ballet, Steven; De Proft, Frank; Van Lommen, Guy; Verniest, Guido","Synthesis of Fused 3-Aminoazepinones via Trapping of a New Class of Cyclic Seven-Membered Allenamides with Furan.","Organic letters","2014","16","14","3712","3715","10.1021/ol501529z","","","1.54178","CuKα","","0.051","0.0438","","","0.1193","0.1273","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517022","25.9774","0.0015","25.2649","0.0015","11.2161","0.0006","90","","113.278","0.002","90","","6762.1","0.7","122","2","122","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 Au P Si -","- C38 H42 Au P Si -","- C304 H336 Au8 P8 Si8 -","8","1","","Mazzanti, Virginia; Jiang, Huixin; Gotfredsen, Henrik; Morsing, Thorbjørn J; Parker, Christian R.; Nielsen, Mogens Brøndsted","The Gilded Edge in Acetylenic Scaffolding: Pd-Catalyzed Cross-Coupling Reactions of Phosphine-Gold(I) Oligoynyl Complexes.","Organic letters","2014","16","14","3736","","10.1021/ol5015587","","","0.71073","MoKα","","0.0362","0.0249","","","0.0594","0.0663","","","","","","1.0753","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517023","13.3652","0.0006","13.4905","0.0007","17.0362","0.0008","83.516","0.002","86.041","0.002","64.505","0.002","2754.1","0.2","122","2","122","2","","","","","","","","7","P -1","-P 1","2","","","","- C59.7 H40.71 Au2 Cl3.4 N2 O4 P2 -","- C59.7 H40.7098 Au2 Cl3.4 N2 O4 P2 -","- C119.4 H81.4196 Au4 Cl6.8 N4 O8 P4 -","2","1","","Mazzanti, Virginia; Jiang, Huixin; Gotfredsen, Henrik; Morsing, Thorbjørn J; Parker, Christian R.; Nielsen, Mogens Brøndsted","The Gilded Edge in Acetylenic Scaffolding: Pd-Catalyzed Cross-Coupling Reactions of Phosphine-Gold(I) Oligoynyl Complexes.","Organic letters","2014","16","14","3736","","10.1021/ol5015587","","","0.71073","MoKα","","0.0687","0.0387","","","0.0777","0.0889","","","","","","1.0683","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517024","12.292","0.003","9.621","0.0019","28.336","0.006","90","","92.9","0.03","90","","3346.8","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound4","","","- C37 H48 N Ni O P2 -","- C37 H48 N Ni O P2 -","- C148 H192 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.62998","synchrotron","","0.0637","0.0552","","","0.161","0.1672","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517025","10.6999","0.0005","9.4421","0.0004","11.2283","0.0005","90","","108.935","0.001","90","","1073","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Cd N6 O9 -","- C4 H9 Cd N6 O9 -","- C16 H36 Cd4 N24 O36 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0217","0.0204","","","0.0735","0.076","","","","","","0.831","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517026","12.4045","0.0004","9.652","0.0003","27.5625","0.0009","90","","92.722","0.0018","90","","3296.29","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PNP)NiCOMe","","","- C34 H49 N Ni O P2 -","- C34 H49 N Ni O P2 -","- C136 H196 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0674","0.0403","","","0.1042","0.1196","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517027","19.2355","0.0009","11.6533","0.0005","14.8149","0.0007","90","","110.899","0.002","90","","3102.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PNP)NiMe","","","- C31 H51 N Ni O P2 -","- C31 H51 N Ni O P2 -","- C124 H204 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0441","0.0383","","","0.1003","0.1158","","","","","","1.18","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517028","10.5204","0.0008","11.0371","0.0008","12.559","0.001","79.346","0.004","84.731","0.004","71.343","0.004","1357","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(PNP)NiEt","","","- C28 H45 N Ni P2 -","- C28 H45 N Ni P2 -","- C56 H90 N2 Ni2 P4 -","2","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0688","0.0635","","","0.1866","0.1913","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517029","16.6022","0.0004","12.4707","0.0004","16.0966","0.0004","90","","113.6","0.002","90","","3053.92","0.15","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","(PNP)NiCOnPr","","","- C30 H47 N Ni O P2 -","- C30 H47 N Ni O P2 -","- C120 H188 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0934","0.0503","","","0.1116","0.1452","","","","","","0.89","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517030","15.7352","0.0006","9.8832","0.0004","18.2622","0.0007","90","","94.249","0.002","90","","2832.22","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(PNP)NinPr","","","- C29 H47 N Ni P2 -","- C29 H47 N Ni P2 -","- C116 H188 N4 Ni4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.073","0.0454","","","0.1179","0.1326","","","","","","1.092","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517031","15.5099","0.0005","9.9868","0.0003","18.6693","0.0005","90","","95.552","0.001","90","","2878.2","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PNP)NiCOiPr","","","- C30 H47 N Ni O P2 -","- C30 H47 N Ni O P2 -","- C120 H188 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.71073","MoKα","","0.0487","0.0371","","","0.0956","0.108","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517032","12.11","0.002","13.584","0.003","19.335","0.004","90","","106.49","0.03","90","","3049.8","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PNP)NiCOtBu","","","- C31 H49 N Ni O P2 -","- C31 H49 N Ni O P2 -","- C124 H196 N4 Ni4 O4 P8 -","4","1","","Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho","Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide","Chemical Science","2014","5","10","3853","","10.1039/C4SC01089B","","","0.7","synchrotron","","0.0349","0.0321","","","0.093","0.0949","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517072","5.9388","0.0012","12.164","0.002","21.118","0.004","90","","97.72","0.03","90","","1511.7","0.5","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 -","- C20 H22 -","- C80 H88 -","4","1","","Peng, Jing; Chen, Chao; Chen, Junjie; Su, Xiang; Xi, Chanjuan; Chen, Hui","Cu-Catalyzed Arylcarbocyclization of Alkynes with Diaryliodonium Salts through C-C Bond Formation on Inert C(sp3)-H Bond.","Organic letters","2014","16","14","3776","","10.1021/ol501655g","","","0.71073","MoKα","","0.0871","0.0725","","","0.2191","0.2614","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517073","7.7819","0.0016","6.151","0.0012","18.029","0.004","90","","97.73","0.03","90","","855.1","0.3","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C23 H26 -","- C23 H26 -","- C46 H52 -","2","1","","Peng, Jing; Chen, Chao; Chen, Junjie; Su, Xiang; Xi, Chanjuan; Chen, Hui","Cu-Catalyzed Arylcarbocyclization of Alkynes with Diaryliodonium Salts through C-C Bond Formation on Inert C(sp3)-H Bond.","Organic letters","2014","16","14","3776","","10.1021/ol501655g","","","0.71073","MoKα","","0.0474","0.0461","","","0.1166","0.1181","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517074","5.606","0.003","8.951","0.007","17.058","0.011","81.48","0.05","82.58","0.05","77.41","0.04","822","1","295","2","295","2","","","","","","","","2","P -1","-P 1","2","","","","- C23 H20 -","- C23 H20 -","- C46 H40 -","2","1","","Peng, Jing; Chen, Chao; Chen, Junjie; Su, Xiang; Xi, Chanjuan; Chen, Hui","Cu-Catalyzed Arylcarbocyclization of Alkynes with Diaryliodonium Salts through C-C Bond Formation on Inert C(sp3)-H Bond.","Organic letters","2014","16","14","3776","","10.1021/ol501655g","","","0.71073","MoKα","","0.172","0.1114","","","0.2341","0.247","","","","","","1.886","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517075","15.2","0.005","9.19","0.005","21.788","0.005","90","","108.912","0.005","90","","2879.2","1.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 N O8 -","- C32 H31 N O8 -","- C128 H124 N4 O32 -","4","1","","Talukdar, Ranadeep; Tiwari, Deo Prakash; Saha, Amrita; Ghorai, Manas K.","Diastereoselective Synthesis of Functionalized Tetrahydrocarbazoles via a Domino-Ring Opening-Cyclization of Donor-Acceptor Cyclopropanes with Substituted 2-Vinylindoles.","Organic letters","2014","16","15","3954","3957","10.1021/ol501763n","","","0.71069","MoKα","","0.0974","0.0537","","","0.1202","0.1471","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517076","8.398","0.005","23.088","0.005","12.083","0.005","90","0.005","107.75","0.005","90","0.005","2231.3","1.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N2 O7 -","- C25 H26 N2 O7 -","- C100 H104 N8 O28 -","4","1","","Talukdar, Ranadeep; Tiwari, Deo Prakash; Saha, Amrita; Ghorai, Manas K.","Diastereoselective Synthesis of Functionalized Tetrahydrocarbazoles via a Domino-Ring Opening-Cyclization of Donor-Acceptor Cyclopropanes with Substituted 2-Vinylindoles.","Organic letters","2014","16","15","3954","3957","10.1021/ol501763n","","","0.71069","MoKα","","0.0807","0.0433","","","0.0892","0.1024","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517077","51.114","0.008","51.114","0.008","24.362","0.005","90","","90","","120","","55122","17","223","2","223","1","","","","","","","","7","P -3","-P 3","147","","","","- C270.75 H371 Cd18 Cl8 N18 O105.92 Tb6 -","- C270.75 H371 Cd18 Cl8 N18 O105.917 Tb6 -","- C1624.5 H2226 Cd108 Cl48 N108 O635.5 Tb36 -","6","1","","Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J.","FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications","Faraday Discussions","2014","","","","","10.1039/C4FD00117F","","","0.710747","MoKα","","0.1155","0.069","","","0.1754","0.2225","","","","","","1.062","","1518679","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517078","54.777","0.011","62.244","0.012","79.935","0.016","90","","90","","90","","272542","9","223","2","223","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C360 H464 Cd24 Ho8 N24 O144 -","- C360 H464 Cd24 Ho8 N24 O144 -","- C5760 H7424 Cd384 Ho128 N384 O2304 -","16","0.5","","Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J.","FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications","Faraday Discussions","2014","","","","","10.1039/C4FD00117F","","","0.710747","MoKα","","0.2426","0.0923","","","0.1641","0.1812","","","","","","0.951","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517079","41.871","0.008","22.803","0.005","47.322","0.01","90","","112.91","0.03","90","","41618","18","223","2","223","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C268.5 H369.5 Cd18 Cl10 Lu6 N18 O101.5 -","- C268.5 H369.5 Cd18 Cl10 Lu6 N18 O101.5 -","- C1074 H1478 Cd72 Cl40 Lu24 N72 O406 -","4","0.5","","Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J.","FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications","Faraday Discussions","2014","","","","","10.1039/C4FD00117F","","","0.710747","MoKα","","0.084","0.0722","","","0.1791","0.1889","","","","","","1.103","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517080","51.304","0.007","51.304","0.007","24.418","0.005","90","","90","","120","","55660","16","223","1","223","1","","","","","","","","7","P -3","-P 3","147","","","","- C273.75 H384.5 Cd18 Cl8 Eu6 N18 O109.67 -","- C273.75 H384.5 Cd18 Cl8 Eu6 N18 O109.667 -","- C1642.5 H2307 Cd108 Cl48 Eu36 N108 O658 -","6","1","","Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J.","FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications","Faraday Discussions","2014","","","","","10.1039/C4FD00117F","","","0.710747","MoKα","","0.1219","0.0754","","","0.1806","0.2142","","","","","","1.021","","1518678","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517090","9.2539","0.0011","14.9631","0.0019","22.219","0.003","81.005","0.009","85.178","0.009","88.053","0.009","3027.3","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H8 F2 N4 S8 Si -","- C63.828 H8 F2 N4 S8 Si -","- C127.656 H16 F4 N8 S16 Si2 -","2","1","","Coughlin, Jessica E.; Zhugayevych, Andriy; Bakus, Ronald C.; van der Poll, Thomas S.; Welch, Gregory C.; Teat, Simon J.; Bazan, Guillermo C.; Tretiak, Sergei","A Combined Experimental and Theoretical Study of Conformational Preferences of Molecular Semiconductors","The Journal of Physical Chemistry C","2014","118","29","15610","","10.1021/jp506172a","","","0.7749","","","0.1795","0.1361","","","0.3409","0.3698","","","","","","1.347","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517091","18.34","0.02","7.326","0.009","31.8","0.05","90","","103.18","0.05","90","","4160","9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 N4 S6 Si -","- C44 H9 N4 S6 Si -","- C176 H36 N16 S24 Si4 -","4","1","","Coughlin, Jessica E.; Zhugayevych, Andriy; Bakus, Ronald C.; van der Poll, Thomas S.; Welch, Gregory C.; Teat, Simon J.; Bazan, Guillermo C.; Tretiak, Sergei","A Combined Experimental and Theoretical Study of Conformational Preferences of Molecular Semiconductors","The Journal of Physical Chemistry C","2014","118","29","15610","","10.1021/jp506172a","","","0.71073","MoKα","","0.1615","0.0961","","","0.2222","0.2436","","","","","","1.501","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517092","18.817","0.004","7.9805","0.0017","28.301","0.006","90","","107.018","0.003","90","","4063.8","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 N6 S6 Si -","- C42 H44 N6 S6 Si -","- C168 H176 N24 S24 Si4 -","4","1","","Coughlin, Jessica E.; Zhugayevych, Andriy; Bakus, Ronald C.; van der Poll, Thomas S.; Welch, Gregory C.; Teat, Simon J.; Bazan, Guillermo C.; Tretiak, Sergei","A Combined Experimental and Theoretical Study of Conformational Preferences of Molecular Semiconductors","The Journal of Physical Chemistry C","2014","118","29","15610","","10.1021/jp506172a","","","0.71073","MoKα","","0.137","0.0841","","","0.1942","0.2111","","","","","","1.664","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517093","8.808","0.003","16.279","0.006","22.976","0.009","108.413","0.005","100.019","0.006","95.249","0.005","3040.1","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H72 F2 N4 S8 Si -","- C64 H72 F2 N4 S8 Si -","- C128 H144 F4 N8 S16 Si2 -","2","1","","Coughlin, Jessica E.; Zhugayevych, Andriy; Bakus, Ronald C.; van der Poll, Thomas S.; Welch, Gregory C.; Teat, Simon J.; Bazan, Guillermo C.; Tretiak, Sergei","A Combined Experimental and Theoretical Study of Conformational Preferences of Molecular Semiconductors","The Journal of Physical Chemistry C","2014","118","29","15610","","10.1021/jp506172a","","","0.7749","synchrotron","","0.0986","0.0661","","","0.1812","0.201","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517094","10.4822","0.0007","13.6007","0.0009","16.4254","0.0011","67.272","0.002","88.286","0.002","71.732","0.002","2039.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 N6 S6 Si -","- C42 H42 N6 S6 Si -","- C84 H84 N12 S12 Si2 -","2","1","","Coughlin, Jessica E.; Zhugayevych, Andriy; Bakus, Ronald C.; van der Poll, Thomas S.; Welch, Gregory C.; Teat, Simon J.; Bazan, Guillermo C.; Tretiak, Sergei","A Combined Experimental and Theoretical Study of Conformational Preferences of Molecular Semiconductors","The Journal of Physical Chemistry C","2014","118","29","15610","","10.1021/jp506172a","","","0.7749","synchrotron","","0.0745","0.0663","","","0.1908","0.2004","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517095","9.2916","0.0012","14.916","0.002","22.551","0.003","80.585","0.01","78.642","0.009","87.741","0.01","3022.9","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H68 F2 N4 S8 Si -","- C64 H68 F2 N4 S8 Si -","- C128 H136 F4 N8 S16 Si2 -","2","1","","Coughlin, Jessica E.; Zhugayevych, Andriy; Bakus, Ronald C.; van der Poll, Thomas S.; Welch, Gregory C.; Teat, Simon J.; Bazan, Guillermo C.; Tretiak, Sergei","A Combined Experimental and Theoretical Study of Conformational Preferences of Molecular Semiconductors","The Journal of Physical Chemistry C","2014","118","29","15610","","10.1021/jp506172a","","","0.7749","synchrotron","","0.1779","0.1308","","","0.3161","0.348","","","","","","1.118","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517096","8.5556","0.0001","10.4982","0.0002","14.8086","0.0002","90","","90","","90","","1330.08","0.03","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Mo O5 -","- C12 H12 Mo O5 -","- C48 H48 Mo4 O20 -","4","1","","Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E.","Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation","Catal. Sci. Technol.","2014","4","12","4219","","10.1039/C4CY00738G","","x-ray","0.71073","MoKα","","0.021","0.0208","","","0.0542","0.0544","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517097","10.3022","0.0008","11.1065","0.0009","23.6758","0.0019","90","","90","","90","","2709","0.4","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 Mo O5 -","- C13 H14 Mo O5 -","- C104 H112 Mo8 O40 -","8","1","","Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E.","Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation","Catal. Sci. Technol.","2014","4","12","4219","","10.1039/C4CY00738G","","x-ray","0.71073","MoKα","","0.032","0.0231","","","0.0474","0.0524","","","","","","1.135","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517098","7.417","0.0002","7.6621","0.0002","34.3794","0.0009","90","","90","","90","","1953.77","0.09","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Mo O5 -","- C20 H24 Mo O5 -","- C80 H96 Mo4 O20 -","4","1","","Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E.","Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation","Catal. Sci. Technol.","2014","4","12","4219","","10.1039/C4CY00738G","","x-ray","0.71073","MoKα","","0.0707","0.055","","","0.0905","0.0943","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517099","18.8584","0.0012","12.3701","0.0008","15.9959","0.0011","90","","104.724","0.004","90","","3609","0.4","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 S Si2 -","- C40 H50 S Si2 -","- C160 H200 S4 Si8 -","4","0.5","","Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan","Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties","Chem. Sci.","2014","5","11","4490","","10.1039/C4SC01769B","","","1.54178","CuKα","","0.0685","0.0532","","","0.1386","0.1511","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517100","7.402","0.006","14.535","0.011","18.955","0.014","73.693","0.015","83.913","0.016","77.68","0.014","1910","3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 S2 Si2 -","- C42 H50 S2 Si2 -","- C84 H100 S4 Si4 -","2","1","","Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan","Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties","Chem. Sci.","2014","5","11","4490","","10.1039/C4SC01769B","","","0.71073","MoKα","","0.1814","0.0719","","","0.1581","0.2103","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517101","7.0732","0.0012","7.9974","0.0014","12.843","0.002","83.771","0.013","88.008","0.013","79.973","0.014","711.1","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H30 S2 -","- C38 H30 S2 -","- C38 H30 S2 -","1","0.5","","Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan","Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties","Chem. Sci.","2014","5","11","4490","","10.1039/C4SC01769B","","","1.54178","CuKα","","0.1262","0.0811","","","0.2103","0.2501","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517102","24.056","0.001","16.0276","0.001","18.3518","0.0016","90","","122.105","0.004","90","","5993.7","0.7","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 S2 -","- C40 H34 S2 -","- C320 H272 S16 -","8","1","","Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan","Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties","Chem. Sci.","2014","5","11","4490","","10.1039/C4SC01769B","","","1.54178","CuKα","","0.1843","0.1245","","","0.3045","0.3754","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517103","7.51","0.0003","14.0747","0.0006","20.3192","0.0009","73.205","0.002","81.761","0.002","82.646","0.002","2026.41","0.15","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H50 S3 Si2 -","- C44 H50 S3 Si2 -","- C88 H100 S6 Si4 -","2","1","","Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan","Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties","Chem. Sci.","2014","5","11","4490","","10.1039/C4SC01769B","","","1.54178","CuKα","","0.1142","0.0974","","","0.2475","0.2663","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517120","6.6803","0.0004","10.1921","0.0006","16.8279","0.001","90","","90","","90","","1145.75","0.12","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br N O -","- C13 H12 Br N O -","- C52 H48 Br4 N4 O4 -","4","1","","Du, Xiang-Wei; Ghosh, Avipsa; Stanley, Levi M.","Enantioselective synthesis of polycyclic nitrogen heterocycles by rh-catalyzed alkene hydroacylation: constructing six-membered rings in the absence of chelation assistance.","Organic letters","2014","16","15","4036","4039","10.1021/ol501869s","","","0.71073","MoKα","","0.0262","0.022","","","0.0497","0.0506","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517164","9.887","0.002","18.473","0.004","14.002","0.003","90","","104.589","0.003","90","","2474.9","0.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Cl F6 N3 O P Ru -","- C23 H25 Cl F6 N3 O P Ru -","- C92 H100 Cl4 F24 N12 O4 P4 Ru4 -","4","1","","Chow, Mun Juinn; Licona, Cynthia; Yuan Qiang Wong, Daniel; Pastorin, Giorgia; Gaiddon, Christian; Ang, Wee Han","Discovery and Investigation of Anticancer Ruthenium-Arene Schiff-Base Complexes via Water-Promoted Combinatorial Three-Component Assembly.","Journal of medicinal chemistry","2014","57","14","6043","6059","10.1021/jm500455p","","","0.71073","MoKα","","0.0823","0.0525","","","0.1214","0.1308","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517165","12.936","0.0018","17.448","0.002","21.111","0.003","90","","90","","90","","4764.9","1.1","15","2","15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H53 Cl9 N2 O11 -","- C38 H53 Cl9 N2 O11 -","- C152 H212 Cl36 N8 O44 -","4","1","","Kim, Ki Hyun; Ramadhar, Timothy R.; Beemelmanns, Christine; Cao, Shugeng; Poulsen, Michael; Currie, Cameron R.; Clardy, Jon","Natalamycin A, an Ansamycin from a Termite-Associated Streptomyces sp.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","11","4333","4338","10.1039/C4SC01136H","","","0.41328","synchrotron","","0.0649","0.0635","","","0.184","0.1913","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517166","7.9922","0.0006","7.9922","0.0006","23.1283","0.0017","90","","90","","90","","1477.33","0.19","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H16 Fe N4 O3 -","- C13 H16 Fe N4 O3 -","- C52 H64 Fe4 N16 O12 -","4","0.5","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0396","0.0287","","","0.0688","0.074","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517167","8.8462","0.0003","17.0403","0.0006","35.7439","0.0012","90","","90.227","0.001","90","","5388.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H36 B2 Fe N2 O3 Si4 -","- C15 H36 B2 Fe N2 O3 Si4 -","- C120 H288 B16 Fe8 N16 O24 Si32 -","8","2","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0521","0.038","","","0.0807","0.0852","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517168","9.0504","0.0017","10.731","0.002","11.634","0.004","90","","92.431","0.015","90","","1128.9","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 Cl3 Fe Ga O5 -","- C5 Cl3 Fe Ga O5 -","- C20 Cl12 Fe4 Ga4 O20 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0137","0.0131","","","0.0273","0.0275","","","","","","0.938","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517169","12.3102","0.0005","8.7578","0.0004","13.2384","0.0005","90","","90","","90","","1427.24","0.1","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C7 H9 Cl3 Fe Ga O4 P -","- C7 H9 Cl3 Fe Ga O4 P -","- C28 H36 Cl12 Fe4 Ga4 O16 P4 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0137","0.013","","","0.0305","0.0308","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517170","7.2763","0.0003","22.2271","0.0009","9.6226","0.0004","90","","90.532","0.001","90","","1556.21","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl3 Fe Ga N O4 -","- C9 H9 Cl3 Fe Ga N O4 -","- C36 H36 Cl12 Fe4 Ga4 N4 O16 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0227","0.0195","","","0.0461","0.0472","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517171","17.867","0.0016","13.5823","0.0012","15.9356","0.0014","90","","109.018","0.003","90","","3656.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Cl3 Fe Ga O3 P2 -","- C9 H18 Cl3 Fe Ga O3 P2 -","- C72 H144 Cl24 Fe8 Ga8 O24 P16 -","8","2","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0521","0.0366","","","0.0873","0.0954","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517172","8.6242","0.0005","14.4623","0.0008","17.4482","0.001","90","","98.852","0.002","90","","2150.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl5 Fe Ga N4 O3 -","- C14 H18 Cl5 Fe Ga N4 O3 -","- C56 H72 Cl20 Fe4 Ga4 N16 O12 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0332","0.0254","","","0.0577","0.061","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517173","11.826","0.0008","18.0027","0.0012","9.6374","0.0006","90","","90","","90","","2051.8","0.2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H18 Cl3 Fe Ga N2 O3 -","- C13 H18 Cl3 Fe Ga N2 O3 -","- C52 H72 Cl12 Fe4 Ga4 N8 O12 -","4","0.5","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0285","0.0204","","","0.0437","0.0473","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517174","28.6201","0.0015","15.3682","0.0008","7.0307","0.0004","90","","90","","90","","3092.4","0.3","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C15 H36 B2 Cl3 Fe Ga N2 O3 Si4 -","- C15 H36 B2 Cl3 Fe Ga N2 O3 Si4 -","- C60 H144 B8 Cl12 Fe4 Ga4 N8 O12 Si16 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0517","0.0416","","","0.0927","0.0965","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517175","17.8212","0.0017","16.529","0.0017","26.155","0.003","90","","90","","90","","7704.4","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C9 H18 Br3 Fe Ga O3 P2 -","- C9 H18 Br3 Fe Ga O3 P2 -","- C144 H288 Br48 Fe16 Ga16 O48 P32 -","16","2","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0675","0.0385","","","0.085","0.0993","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517176","12.3141","0.0009","25.4743","0.0019","14.8041","0.0009","90","","94.832","0.005","90","","4627.4","0.6","294.67","0.13","294.67","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br F3 N2 O2 S -","- C22 H20 Br F3 N2 O2 S -","- C176 H160 Br8 F24 N16 O16 S8 -","8","2","","He, Yu-Tao; Li, Lian-Hua; Zhou, Zhao-Zhao; Hua, Hui-Liang; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Copper-catalyzed three-component cyanotrifluoromethylation/azidotrifluoromethylation and carbocyclization of 1,6-enynes.","Organic letters","2014","16","15","3896","3899","10.1021/ol501574f","","","0.71","MoKα","","0.2802","0.0946","","","0.2256","0.3269","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517177","16.421","0.002","8.6118","0.0012","16.299","0.002","90","","104.901","0.015","90","","2227.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F3 N4 O3 S -","- C21 H19 F3 N4 O3 S -","- C84 H76 F12 N16 O12 S4 -","4","1","","He, Yu-Tao; Li, Lian-Hua; Zhou, Zhao-Zhao; Hua, Hui-Liang; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Copper-catalyzed three-component cyanotrifluoromethylation/azidotrifluoromethylation and carbocyclization of 1,6-enynes.","Organic letters","2014","16","15","3896","3899","10.1021/ol501574f","","","1.54184","CuKα","","0.2052","0.1296","","","0.3403","0.4317","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517178","10.0479","0.0008","10.4624","0.0008","10.6624","0.0008","93.078","0.004","90.52","0.004","118.662","0.004","981.34","0.14","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H19 Cl N2 O2 S -","- C22 H19 Cl N2 O2 S -","- C44 H38 Cl2 N4 O4 S2 -","2","2","","Wang, Hui; Li, Yi; Xu, Ming-Hua","Rhodium-catalyzed highly enantioselective arylation of cyclic diketimines: efficient synthesis of chiral tetrasubstituted 1,2,5-thiadiazoline 1,1-dioxides.","Organic letters","2014","16","15","3962","3965","10.1021/ol501770q","","","0.71073","MoKα","","0.065","0.042","","","0.0851","0.1094","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517179","6.859","0.0005","7.8956","0.0006","18.6936","0.0013","90","","90","","90","","1012.37","0.13","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl O2 -","- C11 H11 Cl O2 -","- C44 H44 Cl4 O8 -","4","1","","Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Wu, Wangbin; Liu, Yangbin; Lin, Lili; Feng, Xiaoming","Regio- and enantioselective baeyer-villiger oxidation: kinetic resolution of racemic 2-substituted cyclopentanones.","Organic letters","2014","16","15","3938","3941","10.1021/ol501737a","","","0.71073","MoKα","","0.0613","0.0427","","","0.0829","0.094","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517180","14.959","0.005","4.722","0.005","26.639","0.005","90","","90","","90","","1882","2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H8 O S -","- C12 H8 O S -","- C96 H64 O8 S8 -","8","2","","Zhong, Yanzhen; Yuan, Linxin; Huang, Zheng; Gu, Wenchao; Shao, Ye; Han, Wei","Unexpected hydrazine hydrate-mediated aerobic oxidation of aryl/ heteroaryl boronic acids to phenols in ambient air","RSC Adv.","2014","4","63","33164","33167","10.1039/C4RA05589F","","","0.71069","MoKα","","0.0397","0.0352","","","0.0873","0.0904","","","","","","1.051","","","","has coordinates","282777","2023-04-20","11:56:42",""
"1517181","9.5929","0.0008","13.2942","0.0011","18.7485","0.0014","90","","92.399","0.004","90","","2388.9","0.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H30 N8 O6 -","- C24 H30 N8 O6 -","- C96 H120 N32 O24 -","4","1","","Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin","Macrocyclic Influences in CO2 Uptake and Stabilization.","Organic letters","2014","16","15","3982","3985","10.1021/ol501812u","","","1.54178","CuKα","","0.0311","0.0275","","","0.0653","0.0667","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517182","13.587","","17.918","","21.641","","90","","118.69","","90","","4621.72","","195","2","195","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H69 Lu N2 O S Si2 -","- C42 H69 Lu N2 O S Si2 -","- C168 H276 Lu4 N8 O4 S4 Si8 -","4","1","","Liu, Bo; Li, Lei; Sun, Guangping; Liu, Jingyao; Wang, Meiyan; Li, Shihui; Cui, Dongmei","3,4-Polymerization of Isoprene by Using NSN- and NPN-Ligated Rare Earth Metal Precursors: Switching of Stereo Selectivity and Mechanism","Macromolecules","2014","47","15","4971","","10.1021/ma501085c","","","0.71073","MoKα","","0.0736","0.0541","","","0.1182","0.129","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517183","36.82","","36.82","","11.156","","90","","90","","120","","13098.1","","193","2","193","2","","","","","","","","7","R 3 m :H","R 3 -2""","160","","","","- C46 H77 N2 O2 S Si2 Y -","- C46 H77 N2 O2 S Si2 Y -","- C414 H693 N18 O18 S9 Si18 Y9 -","9","0.5","","Liu, Bo; Li, Lei; Sun, Guangping; Liu, Jingyao; Wang, Meiyan; Li, Shihui; Cui, Dongmei","3,4-Polymerization of Isoprene by Using NSN- and NPN-Ligated Rare Earth Metal Precursors: Switching of Stereo Selectivity and Mechanism","Macromolecules","2014","47","15","4971","","10.1021/ma501085c","","","0.71073","MoKα","","0.1033","0.0697","","","0.1994","0.21","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517184","12.007","0.002","20.514","0.004","19.104","0.004","90","","90.26","0.03","90","","4705.5","1.6","195","2","195","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H75 Lu N2 O S Si3 -","- C40 H75 Lu N2 O S Si3 -","- C160 H300 Lu4 N8 O4 S4 Si12 -","4","1","","Liu, Bo; Li, Lei; Sun, Guangping; Liu, Jingyao; Wang, Meiyan; Li, Shihui; Cui, Dongmei","3,4-Polymerization of Isoprene by Using NSN- and NPN-Ligated Rare Earth Metal Precursors: Switching of Stereo Selectivity and Mechanism","Macromolecules","2014","47","15","4971","","10.1021/ma501085c","","","0.71073","MoKα","","0.0571","0.0422","","","0.0816","0.0875","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517185","11.8843","0.0004","12.5062","0.0004","19.4482","0.0007","78.546","0.001","81.9","0.001","62.267","0.001","2503.61","0.15","197","2","197","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H74 Lu N2 O P Si2 -","- C48 H74 Lu N2 O P Si2 -","- C96 H148 Lu2 N4 O2 P2 Si4 -","2","1","","Liu, Bo; Li, Lei; Sun, Guangping; Liu, Jingyao; Wang, Meiyan; Li, Shihui; Cui, Dongmei","3,4-Polymerization of Isoprene by Using NSN- and NPN-Ligated Rare Earth Metal Precursors: Switching of Stereo Selectivity and Mechanism","Macromolecules","2014","47","15","4971","","10.1021/ma501085c","","","0.71073","MoKα","","0.0303","0.0274","","","0.0646","0.0662","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517186","14.316","","14.631","","22.305","","90","","90","","90","","4671.95","","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H66 Lu N2 O P Si2 -","- C44 H66 Lu N2 O P Si2 -","- C176 H264 Lu4 N8 O4 P4 Si8 -","4","1","","Liu, Bo; Li, Lei; Sun, Guangping; Liu, Jingyao; Wang, Meiyan; Li, Shihui; Cui, Dongmei","3,4-Polymerization of Isoprene by Using NSN- and NPN-Ligated Rare Earth Metal Precursors: Switching of Stereo Selectivity and Mechanism","Macromolecules","2014","47","15","4971","","10.1021/ma501085c","","","0.71073","MoKα","","0.0711","0.0494","","","0.0982","0.106","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517187","13.511","0.003","33.064","0.007","11.248","0.002","90","","107.86","0.03","90","","4782.6","1.9","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 N10 O4 -","- C42 H52 N10 O4 -","- C168 H208 N40 O16 -","4","1","","Shang, Jie; Si, Wen; Zhao, Wei; Che, Yanke; Hou, Jun-Li; Jiang, Hua","Preorganized aryltriazole foldamers as effective transmembrane transporters for chloride anion.","Organic letters","2014","16","15","4008","4011","10.1021/ol501772v","","","0.71073","MoKα","","0.1289","0.1038","","","0.2996","0.3286","","","","","","1.135","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517188","20.5225","0.0008","39.0486","0.0005","39.0923","0.0004","119.844","0.001","91.894","0.002","102.976","0.002","26087.7","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C314 H589 N96 Ni32 O224 S11 -","- C314 N96 Ni32 O224 S11 -","- C628 N192 Ni64 O448 S22 -","2","1","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","1.54184","CuKα","","0.2198","0.1773","","","0.4747","0.5025","","","","","","1.883","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517189","11.376","0.004","20.675","0.008","17.957","0.007","90","","99.139","0.007","90","","4170","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Cl2 N12 Ni O10 -","- C37 H33 Cl2 N12 Ni O10 -","- C148 H132 Cl8 N48 Ni4 O40 -","4","1","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","0.71073","MoKα","","0.0957","0.0799","","","0.2099","0.2215","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517190","44.0087","0.0006","20.5888","0.0003","26.8381","0.0003","90","","119.998","0.001","90","","21060.1","0.5","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C145 H234 N48 Ni16 O96 S8 -","- C145 H136 N48 Ni16 O96 S8 -","- C580 H544 N192 Ni64 O384 S32 -","4","1","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","1.54184","CuKα","","0.054","0.0506","","","0.1358","0.1405","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517191","20.5591","0.0001","35.0164","0.0002","39.44","0.0002","90","","91.301","0.001","90","","28385.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C161 H363 N48 Ni16 O146 S8 -","- C161 H141 N48 Ni16 O146 S8 -","- C644 H564 N192 Ni64 O584 S32 -","4","1","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","1.54184","CuKα","","0.0794","0.0674","","","0.1949","0.2074","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517192","31.2","0.0003","31.2","0.0003","25.3435","0.0004","90","","90","","90","","24670.4","0.5","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C158 H190 N48 Ni16 O60 S7 -","- C158 H134 N48 Ni16 O60 S7 -","- C632 H536 N192 Ni64 O240 S28 -","4","0.5","","Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun","SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds","Chem. Sci.","2014","5","11","4163","","10.1039/C4SC01973C","","","1.54178","CuKα","","0.1485","0.1149","","","0.3125","0.3425","","","","","","1.172","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517193","34.7416","0.0005","11.7295","0.0002","7.4495","0.0001","90","","90","","90","","3035.68","0.08","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C31 H36 Cl N O6 S2 -","- C31 H36 Cl N O6 S2 -","- C124 H144 Cl4 N4 O24 S8 -","4","1","","Gu, Jing; Ma, Chao; Li, Qing-Zhu; Du, Wei; Chen, Ying-Chun","β,γ-Regioselective Inverse-Electron-Demand Aza-Diels-Alder Reactions with α,β-Unsaturated Aldehydes via Dienamine Catalysis.","Organic letters","2014","16","15","3986","3989","10.1021/ol501814p","","","1.54184","CuKα","","0.0487","0.0471","","","0.1273","0.1293","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517194","8.2349","0.0003","12.5658","0.0004","12.99","0.0005","90","","90","","90","","1344.18","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Zhao, Depeng; Fañanás-Mastral, Martín; Chang, Mu-Chieh; Otten, Edwin; Feringa, Ben L.","Asymmetric synthesis of N,O-heterocycles via enantioselective iridium-catalysed intramolecular allylic amidation","Chem. Sci.","2014","5","11","4216","","10.1039/C4SC01940G","","","0.71073","MoKα","","0.0347","0.0325","","","0.082","0.0836","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517195","6.3154","0.0005","8.1371","0.0007","14.3362","0.0012","85.222","0.003","78.52","0.003","70.043","0.003","678.53","0.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H12 Br N O -","- C16 H12 Br N O -","- C32 H24 Br2 N2 O2 -","2","2","","Zhao, Depeng; Fañanás-Mastral, Martín; Chang, Mu-Chieh; Otten, Edwin; Feringa, Ben L.","Asymmetric synthesis of N,O-heterocycles via enantioselective iridium-catalysed intramolecular allylic amidation","Chem. Sci.","2014","5","11","4216","","10.1039/C4SC01940G","","","0.71073","MoKα","","0.0675","0.0552","","","0.1339","0.1434","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517196","20.3809","0.0014","5.594","0.0004","15.3584","0.0011","90","","105.915","0.004","90","","1683.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N4 O2 -","- C19 H16 N4 O2 -","- C76 H64 N16 O8 -","4","1","","N, Ahipa T; Adhikari, Airody Vasudeva","New cyanopyridone based luminescent liquid crystalline materials: synthesis and characterization.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","11","1496","1508","10.1039/c4pp00031e","","","0.71073","MoKα","","0.1022","0.0526","","","0.1373","0.1587","","","","","","0.922","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517201","8.3852","0.0006","14.3202","0.0012","11.2113","0.0007","90","","105.908","0.004","90","","1294.67","0.17","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O2 S -","- C13 H16 N2 O2 S -","- C52 H64 N8 O8 S4 -","4","1","","Chen, Bo; Scott, Mark E.; Adams, Bruce A.; Hrovat, David A.; Borden, Weston Thatcher; Lautens, Mark","Computational and (13)C Investigations of the Diazadienes and Oxazadienes Formed via the Rearrangement of Methylenecyclopropyl Hydrazones and Oximes.","Organic letters","2014","16","15","3930","3933","10.1021/ol501710m","","","0.71073","MoKα","","0.1265","0.0612","","","0.1388","0.1802","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517202","8.117","0.005","7.669","0.005","28.305","0.005","90","","94.859","0.005","90","","1755.6","1.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl N O2 -","- C18 H24 Cl N O2 -","- C72 H96 Cl4 N4 O8 -","4","2","","Chauhan, ManMohan Singh; Yadav, Geeta Devi; Hussain, Firasat; Singh, Surendra","N-Fluorobenzenaminium tetrafluoroborate generated in situ by aniline and Selectfluor as a reusable catalyst for the ring opening of epoxides with amines under microwave irradiation","Catal. Sci. Technol.","2014","4","11","3945","","10.1039/C4CY00609G","","","0.71069","MoKα","","0.1054","0.0633","","","0.1043","0.1188","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517203","11.20234","0.00015","14.9864","0.0003","14.7402","0.0003","90","","107.993","0.0016","90","","2353.6","0.08","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C53 H46 Cl4 N2 O P2 Ru -","- C53 H46 Cl4 N2 O P2 Ru -","- C106 H92 Cl8 N4 O2 P4 Ru2 -","2","1","","Chen, Xiangning; Zhou, Han; Zhang, Kunyu; Li, Jiawen; Huang, Hanmin","Highly enantioselective hydrogenation of steric hindrance enones catalyzed by ru complexes with chiral diamine and achiral phosphane.","Organic letters","2014","16","15","3912","3915","10.1021/ol501648a","","","1.5418","CuKα","","0.032","0.0314","","","0.081","0.082","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517204","8.3324","0.0017","11.148","0.002","14.586","0.003","109.23","0.03","99.14","0.03","103.7","0.03","1200.8","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N4 O3 -","- C29 H30 N4 O3 -","- C58 H60 N8 O6 -","2","1","","Wang, Kai-Bo; Di, Ying-Tong; Bao, Yu; Yuan, Chun-Mao; Chen, Gang; Li, Da-Hong; Bai, Jiao; He, Hong-Ping; Hao, Xiao-Jiang; Pei, Yue-Hu; Jing, Yong-Kui; Li, Zhan-Lin; Hua, Hui-Ming","Peganumine A, a β-Carboline Dimer with a New Octacyclic Scaffold from Peganum harmala.","Organic letters","2014","16","15","4028","4031","10.1021/ol501856v","","","0.71073","MoKα","","0.0693","0.0447","","","0.1004","0.1126","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517205","9.615","0.007","10.042","0.008","10.834","0.008","87.159","0.013","87.752","0.013","73.682","0.012","1002.3","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","","Yan, Zhi-Ming; Wu, Na; Liang, Dong; Wang, Heng-Shan; Pan, Ying-Ming","One-Pot Stepwise Approach to β-Enaminoketoesters through ""Masked"" 1,3-Aza-Dipoles.","Organic letters","2014","16","15","4048","4051","10.1021/ol501930f","","","0.71073","MoKα","","0.101","0.0526","","","0.1338","0.1595","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517206","19.3677","0.0007","4.6908","0.0002","11.3487","0.0004","90","","95.521","0.002","90","","1026.25","0.07","100","2","99.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl O2 -","- C12 H11 Cl O2 -","- C48 H44 Cl4 O8 -","4","1","","Liu, Kun; Hovey, M. Todd; Scheidt, Karl A.","A Cooperative N-Heterocyclic Carbene/Palladium Catalysis System.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","10","4026","4031","10.1039/C4SC01536C","","","1.54178","CuKα","","0.0296","0.0267","","","0.0644","0.066","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517207","10.871","0.0009","20.7504","0.0019","21.3627","0.0015","64.984","0.002","86.763","0.004","79.326","0.003","4290","0.6","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H87 Co4 N17 O20 -","- C80 H80 Co4 N17 O20 -","- C160 H160 Co8 N34 O40 -","2","1","","Sundberg, Jonas; Cameron, Lisa J.; Southon, Peter D.; Kepert, Cameron J.; McKenzie, Christine J.","Oxygen chemisorption/desorption in a reversible single-crystal-to-single-crystal transformation","Chemical Science","2014","5","10","4017","","10.1039/C4SC01636J","","","0.71073","MoKα","","0.1547","0.1024","","","0.2499","0.282","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517208","10.1905","0.0013","21.156","0.003","22.015","0.003","115.123","0.004","92.484","0.005","99.306","0.005","4207.2","1","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H97 Co4 N17 O29 -","- C80 H80 Co4 N17 O29 -","- C160 H160 Co8 N34 O58 -","2","1","","Sundberg, Jonas; Cameron, Lisa J.; Southon, Peter D.; Kepert, Cameron J.; McKenzie, Christine J.","Oxygen chemisorption/desorption in a reversible single-crystal-to-single-crystal transformation","Chemical Science","2014","5","10","4017","","10.1039/C4SC01636J","","","0.71073","MoKα","","0.1525","0.1007","","","0.2604","0.296","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517209","12.1107","0.0003","19.736","0.0008","20.335","0.0008","90","","90","","90","","4860.4","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 F6 N4 O4 Zn2 -","- C48 H54 F6 N4 O4 Zn2 -","- C192 H216 F24 N16 O16 Zn8 -","4","1","","Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates","Chemical Science","2014","5","10","4004","","10.1039/C4SC01686F","","","0.71073","MoKα","","0.0734","0.0434","","","0.0788","0.0909","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517210","10.3348","0.0008","10.8803","0.0008","13.2532","0.0011","113.176","0.003","96.805","0.004","91.083","0.003","1356.84","0.19","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H66 F6 N4 O6 Zn2 -","- C56 H66 F6 N4 O6 Zn2 -","- C56 H66 F6 N4 O6 Zn2 -","1","1","","Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates","Chemical Science","2014","5","10","4004","","10.1039/C4SC01686F","","","0.71073","MoKα","","0.0298","0.0254","","","0.0562","0.0573","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517211","11.8212","0.0009","10.6057","0.0008","18.6077","0.0017","90","","97.779","0.004","90","","2311.4","0.3","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H50 F6 N4 O4 Zn2 -","- C46 H50 F6 N4 O4 Zn2 -","- C92 H100 F12 N8 O8 Zn4 -","2","1","","Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates","Chemical Science","2014","5","10","4004","","10.1039/C4SC01686F","","","0.71073","MoKα","","0.0733","0.0438","","","0.0738","0.0841","","","","","","0.984","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517212","13.5462","0.0005","19.2935","0.0007","20.7468","0.0007","90","","90","","90","","5422.3","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H60 F6 N4 O4 Zn2 -","- C58 H60 F6 N4 O4 Zn2 -","- C232 H240 F24 N16 O16 Zn8 -","4","1","","Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates","Chemical Science","2014","5","10","4004","","10.1039/C4SC01686F","","","0.71073","MoKα","","0.0319","0.0271","","","0.0639","0.066","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517213","8.6445","0.0005","12.0822","0.0006","13.2869","0.0007","103.255","0.001","107.303","0.001","97.032","0.001","1262.22","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Cl I N -","- C13 H11 Cl I N -","- C52 H44 Cl4 I4 N4 -","4","2","","Mondal, Barnali; Zhang, Tingting; Prabhakar, Rajeev; Captain, Burjor; Ramamurthy, V.","Role of hydrogen bonds in molecular packing of photoreactive crystals: templating photodimerization of protonated stilbazoles in crystalline state with a combination of water molecules and chloride ions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","11","1509","1520","10.1039/c4pp00221k","","","0.71073","MoKα","","0.0325","0.0272","","","0.0654","0.0681","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517214","26.8921","0.0014","7.9472","0.0004","18.289","0.0009","90","","125.769","0.001","90","","3171.4","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H17 Cl1.5 N O2 -","- C15.5 H17 Cl1.5 N O2 -","- C124 H136 Cl12 N8 O16 -","8","1","","Mondal, Barnali; Zhang, Tingting; Prabhakar, Rajeev; Captain, Burjor; Ramamurthy, V.","Role of hydrogen bonds in molecular packing of photoreactive crystals: templating photodimerization of protonated stilbazoles in crystalline state with a combination of water molecules and chloride ions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","11","1509","1520","10.1039/c4pp00221k","","","0.71073","MoKα","","0.0699","0.0621","","","0.1911","0.2023","","","","","","1.059","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517215","4.7973","0.0005","8.5668","0.0008","17.3529","0.0018","90","","90.321","0.002","90","","713.15","0.12","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H15 Cl2 N O -","- C14 H15 Cl2 N O -","- C28 H30 Cl4 N2 O2 -","2","0.5","","Mondal, Barnali; Zhang, Tingting; Prabhakar, Rajeev; Captain, Burjor; Ramamurthy, V.","Role of hydrogen bonds in molecular packing of photoreactive crystals: templating photodimerization of protonated stilbazoles in crystalline state with a combination of water molecules and chloride ions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","11","1509","1520","10.1039/c4pp00221k","","","0.71073","MoKα","","0.0492","0.0379","","","0.0988","0.1076","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517216","4.82","0.0005","8.7182","0.0009","17.3278","0.0017","90","","90.278","0.002","90","","728.14","0.13","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H15 Br Cl N O -","- C14 H15 Br Cl N O -","- C28 H30 Br2 Cl2 N2 O2 -","2","0.5","","Mondal, Barnali; Zhang, Tingting; Prabhakar, Rajeev; Captain, Burjor; Ramamurthy, V.","Role of hydrogen bonds in molecular packing of photoreactive crystals: templating photodimerization of protonated stilbazoles in crystalline state with a combination of water molecules and chloride ions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","11","1509","1520","10.1039/c4pp00221k","","","0.71073","MoKα","","0.056","0.037","","","0.0841","0.0928","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517217","14.0236","0.0014","6.7864","0.0007","19.674","0.002","90","","104.499","0.007","90","","1812.7","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C88 H72 N8 O12 -","4","1","","Nakamura, Itaru; Onuma, Toshiki; Kanazawa, Ryo; Nishigai, Yuki; Terada, Masahiro","Efficient Synthesis of N-Alkylated α,β-Unsaturated Ketonitrones via Cu-Catalyzed Rearrangement.","Organic letters","2014","16","16","4198","4200","10.1021/ol501889g","","","0.71075","MoKα","","","0.0381","","","","0.1003","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517218","6.8426","0.0011","12.785","0.002","29.768","0.005","90","","90","","90","","2604.2","0.7","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C120 H144 O24 -","8","2","","Chuang, Hsiang-Yu; Isobe, Minoru","Novel synthesis of right segment of solanoeclepin a.","Organic letters","2014","16","16","4166","4169","10.1021/ol501858w","","","0.71073","MoKα","","0.0781","0.0522","","","0.1119","0.1241","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517219","7.2566","0.0004","10.5786","0.0006","19.4869","0.0008","90","","90","","90","","1495.91","0.13","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Chuang, Hsiang-Yu; Isobe, Minoru","Novel synthesis of right segment of solanoeclepin a.","Organic letters","2014","16","16","4166","4169","10.1021/ol501858w","","","0.71073","MoKα","","0.051","0.0413","","","0.1061","0.1238","","","","","","1.144","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517220","9.4416","0.0009","9.5014","0.0009","9.8153","0.0009","107.922","0.002","91.314","0.002","92.35","0.002","836.5","0.14","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H12 Mn0.5 N O14 P3 Zn3 -","- C6 Mn0.5 N O14 P3 Zn3 -","- C12 Mn N2 O28 P6 Zn6 -","2","1","","Wu, Junbiao; Tao, Chunyao; Li, Yi; Yan, Yan; Li, Jiyang; Yu, Jihong","Methylviologen-templated layered bimetal phosphate: a multifunctional X-ray-induced photochromic material","Chem. Sci.","2014","5","11","4237","","10.1039/C4SC01396D","","","0.71073","MoKα","","0.0556","0.0434","","","0.1129","0.1207","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517221","14.7036","0.0003","22.0098","0.0005","9.6977","0.0002","90","","93.016","0.002","90","","3134.05","0.12","173","0.14","173","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 O3 S -","- C40 H32 O3 S -","- C160 H128 O12 S4 -","4","1","","Deng, Haiqin; Hu, Rongrong; Zhao, Engui; Chan, Carrie Y. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","One-Pot Three-Component Tandem Polymerization Toward Functional Poly(arylene thiophenylene) with Aggregation-Enhanced Emission Characteristics","Macromolecules","2014","47","15","4920","","10.1021/ma501190g","","x-ray","1.5418","CuKα","","0.0511","0.044","","","0.1146","0.1196","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517222","17.967","0.005","6.0336","0.0016","14.479","0.004","90","","96.147","0.008","90","","1560.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O2 Se3 -","- C16 H10 O2 Se3 -","- C64 H40 O8 Se12 -","4","1","","Maity, Pintu; Kundu, Debasish; Roy, Rajdip; Ranu, Brindaban C.","A direct synthesis of selenophenes by cu-catalyzed one-pot addition of a selenium moiety to (e,e)-1,3-dienyl bromides and subsequent nucleophilic cyclization.","Organic letters","2014","16","16","4122","4125","10.1021/ol501820e","","","0.71073","MoKα","","0.0747","0.0404","","","0.1094","0.1369","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517223","31.07","0.006","41.338","0.008","48.828","0.01","90","","97.22","0.03","90","","62216","2","223","2","223","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C360 H426 Br24 Cd24 N24 Nd8 O144 -","- C360 H426 Br24 Cd24 N24 Nd8 O144 -","- C1440 H1704 Br96 Cd96 N96 Nd32 O576 -","4","1","","Yang, Xiaoping; Schipper, Desmond; Zhang, Lijie; Yang, Keqin; Huang, Shaoming; Jiang, Jijun; Su, Chengyong; Jones, Richard A.","Anion dependent self-assembly of 56-metal Cd-Ln nanoclusters with enhanced near-infrared luminescence properties.","Nanoscale","2014","6","18","10569","10573","10.1039/c4nr03075c","","","0.710747","MoKα","","0.211","0.0953","","","0.2139","0.2475","","","","","","0.959","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517224","25.51","0.005","42.22","0.008","44.45","0.009","66.84","0.03","87.11","0.03","77.59","0.03","42956","18","223","2","223","1","","","","","","","","8","P -1","-P 1","2","","","","- C550 H639 Br40 Cd44 Cl31 N40 Nd12 O190 -","- C550 H639 Br40 Cd44 Cl31 N40 Nd12 O190 -","- C1100 H1278 Br80 Cd88 Cl62 N80 Nd24 O380 -","2","1","","Yang, Xiaoping; Schipper, Desmond; Zhang, Lijie; Yang, Keqin; Huang, Shaoming; Jiang, Jijun; Su, Chengyong; Jones, Richard A.","Anion dependent self-assembly of 56-metal Cd-Ln nanoclusters with enhanced near-infrared luminescence properties.","Nanoscale","2014","6","18","10569","10573","10.1039/c4nr03075c","","","0.710747","MoKα","","0.2329","0.0971","","","0.2265","0.2468","","","","","","1.073","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1517225","25.508","0.005","42.215","0.008","43.977","0.009","66.85","0.03","86.45","0.03","77.32","0.03","42465","18","223","2","223","1","","","","","","","","8","P -1","-P 1","2","","","","- C1100 H1278 Br80 Cd88 Cl62 N80 O380 Yb24 -","- C1100 H1278 Br80 Cd88 Cl62 N80 O380 Yb24 -","- C1100 H1278 Br80 Cd88 Cl62 N80 O380 Yb24 -","1","0.5","","Yang, Xiaoping; Schipper, Desmond; Zhang, Lijie; Yang, Keqin; Huang, Shaoming; Jiang, Jijun; Su, Chengyong; Jones, Richard A.","Anion dependent self-assembly of 56-metal Cd-Ln nanoclusters with enhanced near-infrared luminescence properties.","Nanoscale","2014","6","18","10569","10573","10.1039/c4nr03075c","","","0.710747","MoKα","","0.214","0.092","","","0.1949","0.2554","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517226","30.073","0.006","41.754","0.008","48.731","0.01","90","","96.21","0.03","90","","60831","2","223","2","223","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C360 H426 Br24 Cd24 N24 O144 Yb8 -","- C360 H426 Br24 Cd24 N24 O144 Yb8 -","- C1440 H1704 Br96 Cd96 N96 O576 Yb32 -","4","1","","Yang, Xiaoping; Schipper, Desmond; Zhang, Lijie; Yang, Keqin; Huang, Shaoming; Jiang, Jijun; Su, Chengyong; Jones, Richard A.","Anion dependent self-assembly of 56-metal Cd-Ln nanoclusters with enhanced near-infrared luminescence properties.","Nanoscale","2014","6","18","10569","10573","10.1039/c4nr03075c","","","0.710747","MoKα","","0.1869","0.0923","","","0.2092","0.2294","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517227","9.5701","0.0004","7.9131","0.0003","13.6352","0.0006","90","","108.404","0.005","90","","979.77","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl2 N3 -","- C23 H19 Cl2 N3 -","- C46 H38 Cl4 N6 -","2","1","","Zhang, Wenjun; Ma, Liang; Li, Sumei; Liu, Zhong; Chen, Yuchan; Zhang, Haibo; Zhang, Guangtao; Zhang, Qingbo; Tian, Xinpeng; Yuan, Chengshan; Zhang, Si; Zhang, Weimin; Zhang, Changsheng","Indimicins A-E, Bisindole Alkaloids from the Deep-Sea-Derived Streptomyces sp. SCSIO 03032.","Journal of natural products","2014","77","8","1887","","10.1021/np500362p","","","1.54184","CuKα","","0.0373","0.0324","","","0.0787","0.0822","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517228","10.1386","0.0011","14.3557","0.0017","14.5248","0.0016","90","","90","","90","","2114","0.4","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl2 N O2 Pd S -","- C20 H23 Cl2 N O2 Pd S -","- C80 H92 Cl8 N4 O8 Pd4 S4 -","4","1","","Kondo, Hiroki; Yu, Feng; Yamaguchi, Junichiro; Liu, Guosheng; Itami, Kenichiro","Branch-Selective Allylic C-H Carboxylation of Terminal Alkenes by Pd/sox Catalyst.","Organic letters","2014","16","16","4212","4215","10.1021/ol5019135","","","0.71075","MoKα","","0.0258","0.0239","","","0.0479","0.0497","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517229","17.4587","0.0006","17.4587","0.0006","10.7319","0.0004","90","","90","","120","","2832.9","0.17","298","2","298","2","","","","","","","as described","3","P 32 2 1","P 32 2""","154","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C120 H192 O18 -","6","1","","Clark, J. Stephen; Delion, Laetitia; Farrugia, Louis J.","Total synthesis of the purported structure of sclerophytin f.","Organic letters","2014","16","16","4300","4303","10.1021/ol5020152","","x-ray","0.71073","MoKα","","0.0764","0.0509","","","0.1122","0.1192","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517230","8.1038","0.0002","13.1776","0.0003","16.2542","0.0004","71.565","0.001","85.809","0.001","75.309","0.001","1592.81","0.07","100","2","100","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","2","","Clark, J. Stephen; Delion, Laetitia; Farrugia, Louis J.","Total synthesis of the purported structure of sclerophytin f.","Organic letters","2014","16","16","4300","4303","10.1021/ol5020152","","x-ray","0.71073","MoKα","","0.0426","0.0358","","","0.102","0.1055","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517231","5.624","0.003","16.55","0.01","19.16","0.012","90","","90","","90","","1783.4","1.8","100","2","100","2","","","","","","","as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Clark, J. Stephen; Delion, Laetitia; Farrugia, Louis J.","Total synthesis of the purported structure of sclerophytin f.","Organic letters","2014","16","16","4300","4303","10.1021/ol5020152","","x-ray","0.71073","MoKα","","0.0701","0.044","","","0.0941","0.1027","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517232","5.526","0.0009","11.111","0.002","13.716","0.002","90","","98.463","0.009","90","","833","0.2","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 N O2 S -","- C16 H23 N O2 S -","- C32 H46 N2 O4 S2 -","2","1","","Su, Lin; Zhu, Ting-Shun; Xu, Ming-Hua","Indium-Mediated Asymmetric Intramolecular Allenylation of N-tert-Butanesulfinyl Imines: Efficient and Practical Access to Chiral 3-Allenyl-4-aminochromanes.","Organic letters","2014","16","16","4118","4121","10.1021/ol501815e","","","0.71073","MoKα","","0.0435","0.0367","","","0.0971","0.101","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517233","7.176","0.002","10.859","0.003","12.059","0.004","100.648","0.005","106.125","0.005","95.565","0.005","876.2","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C38 H42 N2 O6 S2 -","2","2","","Su, Lin; Zhu, Ting-Shun; Xu, Ming-Hua","Indium-Mediated Asymmetric Intramolecular Allenylation of N-tert-Butanesulfinyl Imines: Efficient and Practical Access to Chiral 3-Allenyl-4-aminochromanes.","Organic letters","2014","16","16","4118","4121","10.1021/ol501815e","","","0.71073","MoKα","","0.039","0.0344","","","0.0828","0.085","","","","","","1.269","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517234","19.1174","0.0006","6.6815","0.0002","13.5889","0.0003","90","","110.988","0.003","90","","1620.59","0.09","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H17 N O2 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Su, Lin; Zhu, Ting-Shun; Xu, Ming-Hua","Indium-Mediated Asymmetric Intramolecular Allenylation of N-tert-Butanesulfinyl Imines: Efficient and Practical Access to Chiral 3-Allenyl-4-aminochromanes.","Organic letters","2014","16","16","4118","4121","10.1021/ol501815e","","","0.71073","MoKα","","0.0425","0.036","","","0.0872","0.0917","","","","","","1.263","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517235","11.8178","0.0008","6.1413","0.0004","12.0958","0.0008","90","","95.858","0.005","90","","873.29","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C38 H42 N2 O6 S2 -","2","1","","Su, Lin; Zhu, Ting-Shun; Xu, Ming-Hua","Indium-Mediated Asymmetric Intramolecular Allenylation of N-tert-Butanesulfinyl Imines: Efficient and Practical Access to Chiral 3-Allenyl-4-aminochromanes.","Organic letters","2014","16","16","4118","4121","10.1021/ol501815e","","","0.71073","MoKα","","0.0657","0.0422","","","0.0855","0.0939","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517236","6.9386","0.0001","15.1121","0.0002","23.6998","0.0003","90","","90","","90","","2485.09","0.06","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C112 H104 N8 O40 -","8","1","","Logan, Angus W. J.; Sprague, Simon J.; Foster, Robert W.; Marx, Léo B; Garzya, Vincenzo; Hallside, Michal S.; Thompson, Amber L.; Burton, Jonathan W.","Diastereoselective synthesis of fused lactone-pyrrolidinones; application to a formal synthesis of (-)-salinosporamide a.","Organic letters","2014","16","16","4078","4081","10.1021/ol501662t","","","0.71073","MoKα","","0.0482","0.0358","","0.0788","0.0663","0.0788","","","","","","0.9815","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517237","6.2769","0.0001","19.0465","0.0002","20.3494","0.0004","90","","90","","90","","2432.83","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N O6 -","- C26 H35 N O6 -","- C104 H140 N4 O24 -","4","1","","Logan, Angus W. J.; Sprague, Simon J.; Foster, Robert W.; Marx, Léo B; Garzya, Vincenzo; Hallside, Michal S.; Thompson, Amber L.; Burton, Jonathan W.","Diastereoselective synthesis of fused lactone-pyrrolidinones; application to a formal synthesis of (-)-salinosporamide a.","Organic letters","2014","16","16","4078","4081","10.1021/ol501662t","","","0.6889","Synchrotron","","0.0425","0.0383","","0.0999","0.0921","0.0999","","","","","","0.9344","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517239","12.8251","0.0019","17.633","0.003","13.342","0.002","90","","93.491","0.003","90","","3011.6","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 O6 -","- C40 H30 O6 -","- C160 H120 O24 -","4","1","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0549","0.0452","","","0.1263","0.1361","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517240","6.6014","0.0004","17.3786","0.0011","13.6759","0.0009","90","","97.042","0.001","90","","1557.11","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 O6 -","- C40 H42 O6 -","- C80 H84 O12 -","2","0.5","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0579","0.0423","","","0.1101","0.1197","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517241","6.816","0.002","7.448","0.003","16.417","0.006","79.881","0.007","81.961","0.007","75.475","0.007","790.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H20 F10 O6 -","- C40 H20 F10 O6 -","- C40 H20 F10 O6 -","1","0.5","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0908","0.0751","","","0.2009","0.218","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517242","6.9613","0.0005","7.1312","0.0005","17.3912","0.0013","91.674","0.001","90.029","0.001","106.619","0.001","826.89","0.1","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H20 F10 O6 -","- C40 H20 F10 O6 -","- C40 H20 F10 O6 -","1","0.5","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0601","0.05","","","0.1353","0.1437","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517243","6.887","0.0007","31.518","0.003","7.1384","0.0007","90","","107.654","0.0019","90","","1476.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H16 F10 O4 -","- C38 H16 F10 O4 -","- C76 H32 F20 O8 -","2","0.5","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0458","0.0432","","","0.1","0.1014","","","","","","1.199","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517244","8.2523","0.0006","12.5862","0.001","15.285","0.0012","73.904","0.0017","86.299","0.0018","83.541","0.0018","1514.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H16 F10 O6 -","- C38 H16 F10 O6 -","- C76 H32 F20 O12 -","2","1","","Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W.","Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains","Chem. Sci.","2014","5","11","4184","","10.1039/C4SC01466A","","","0.71073","MoKα","","0.0549","0.0386","","","0.0933","0.1013","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517245","8.9059","0.0005","11.2218","0.0006","22.076","0.0011","90","","90","","90","","2206.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(OC-6-22)-((1R,2R)-diaminocyclohexane)bis(oxalato)platinum(IV)","","- C16 H28 N4 O10 Pt -","- C16 H28 N4 O10 Pt -","- C64 H112 N16 O40 Pt4 -","4","1","","Varbanov, Hristo P.; Göschl, Simone; Heffeter, Petra; Theiner, Sarah; Roller, Alexander; Jensen, Frank; Jakupec, Michael A.; Berger, Walter; Galanski, Markus; Keppler, Bernhard K.","A Novel Class of Bis- and Tris-Chelate Diam(m)inebis(dicarboxylato)platinum(IV) Complexes as Potential Anticancer Prodrugs.","Journal of medicinal chemistry","2014","57","15","6751","6764","10.1021/jm500791c","","","0.71073","MoKα","","0.0552","0.0472","","","0.1056","0.1087","","","","","","1.098","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517246","13.8623","0.0004","8.618","0.0002","18.7397","0.0005","90","","97.841","0.001","90","","2217.81","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(OC-6-22)-ethane-1,2-diamine(3-methylmalonato)platinum(IV)","","- C16 H31 N3 O11 Pt -","- C16 H29 N3 O11 Pt -","- C64 H116 N12 O44 Pt4 -","4","1","","Varbanov, Hristo P.; Göschl, Simone; Heffeter, Petra; Theiner, Sarah; Roller, Alexander; Jensen, Frank; Jakupec, Michael A.; Berger, Walter; Galanski, Markus; Keppler, Bernhard K.","A Novel Class of Bis- and Tris-Chelate Diam(m)inebis(dicarboxylato)platinum(IV) Complexes as Potential Anticancer Prodrugs.","Journal of medicinal chemistry","2014","57","15","6751","6764","10.1021/jm500791c","","","0.71073","MoKα","","0.0326","0.0258","","","0.0619","0.0645","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517247","9.6514","0.0005","13.5727","0.0008","28.8023","0.0014","90","","99.6158","0.0017","90","","3720","0.3","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C168 H184 N8 O32 -","8","4","","Azuma, Takumi; Murata, Akihiro; Kobayashi, Yusuke; Inokuma, Tsubasa; Takemoto, Yoshiji","A Dual Arylboronic Acid-Aminothiourea Catalytic System for the Asymmetric Intramolecular Hetero-Michael Reaction of α,β-Unsaturated Carboxylic Acids.","Organic letters","2014","16","16","4256","4259","10.1021/ol501954r","","","0.71075","MoKα","","","0.0554","","","","0.1448","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517248","19.225","0.013","19.225","0.013","10.568","0.009","90","","90","","90","","3906","5","566","2","566","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C160 H192 O64 -","16","1","","Kasare, Sanghratna; Bankar, Siddheshwar K.; Ramasastry, S. S. V.","Expeditious Metal-Free Access to Functionalized Polycyclic Acetals under Mild Aqueous Conditions.","Organic letters","2014","16","16","4284","4287","10.1021/ol501986f","","","0.71073","MoKα","","0.1103","0.0654","","","0.1547","0.184","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517249","10.478","0.004","15.304","0.006","9.535","0.003","90","","104.6","0.02","90","","1479.6","0.9","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Kasare, Sanghratna; Bankar, Siddheshwar K.; Ramasastry, S. S. V.","Expeditious Metal-Free Access to Functionalized Polycyclic Acetals under Mild Aqueous Conditions.","Organic letters","2014","16","16","4284","4287","10.1021/ol501986f","","","0.71073","MoKα","","0.0326","0.0303","","","0.0956","0.0996","","","","","","0.85","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517250","6.8744","0.0002","14.0493","0.0005","20.5936","0.0008","90","","90.272","0.002","90","","1988.92","0.12","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Cl2 N O -","- C25 H17 Cl2 N O -","- C100 H68 Cl8 N4 O4 -","4","1","","Mothe, Srinivasa Reddy; Novianti, Maria Laurentia; Ayers, Benjamin James; Chan, Philip Wai Hong","Silver-Catalyzed Tandem Hydroamination/Hydroarylation of 1-(2-Allylamino)phenyl-4-hydroxy-but-2-yn-1-ones to 1'-Allylspiro[indene-1,2'-indolin]-3'-ones.","Organic letters","2014","16","16","4110","4113","10.1021/ol501809p","","","0.71073","MoKα","","0.0652","0.0458","","","0.1226","0.1442","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517251","11.5674","0.0008","18.339","0.0011","7.6496","0.0006","90","","108.4","0.008","90","","1539.8","0.2","296","4","296","4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Xiao, Tiebo; Li, Linyong; Lin, Guoliang; Mao, Zong-Wan; Zhou, Lei","Metal-free visible-light induced cross-dehydrogenative coupling of tertiary amines with diazo compounds.","Organic letters","2014","16","16","4232","4235","10.1021/ol501933h","","","1.54184","CuKα","","0.0582","0.0444","","","0.1035","0.1184","","","","","","1.0729","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517252","10.4739","0.0008","14.9845","0.0009","10.5112","0.0009","90","","96.966","0.007","90","","1637.5","0.2","298","","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl N O2 -","- C19 H18 Cl N O2 -","- C76 H72 Cl4 N4 O8 -","4","1","","Xiao, Tiebo; Li, Linyong; Lin, Guoliang; Mao, Zong-Wan; Zhou, Lei","Metal-free visible-light induced cross-dehydrogenative coupling of tertiary amines with diazo compounds.","Organic letters","2014","16","16","4232","4235","10.1021/ol501933h","","","1.54184","CuKα","","0.0705","0.0614","","","0.1508","0.1654","","","","","","1.0632","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517253","25.7585","0.0006","10.3249","0.0002","9.5675","0.0002","90","","90","","90","","2544.51","0.09","293","2","293","2","","","","","","","synthesis as described","4","P c a 21","P 2c -2ac","29","","","","- C29 H33 N3 O2 -","- C29 H33 N3 O2 -","- C116 H132 N12 O8 -","4","1","","Galvez, Jaime; Castillo, Juan-Carlos; Quiroga, Jairo; Rajzmann, Michel; Rodriguez, Jean; Coquerel, Yoann","Divergent Chemo-, Regio-, and Diastereoselective Normal Electron-Demand Povarov-Type Reactions with α-Oxo-ketene Dienophiles.","Organic letters","2014","16","16","4126","4129","10.1021/ol5018245","","x-ray","0.71073","MoKα","","0.1115","0.0609","","","0.1398","0.1818","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517254","11.1623","0.0003","13.076","0.0004","27.158","0.001","90","","90","","90","","3963.9","0.2","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C22 H25 N3 O2 -","- C22 H25 N3 O2 -","- C176 H200 N24 O16 -","8","1","","Galvez, Jaime; Castillo, Juan-Carlos; Quiroga, Jairo; Rajzmann, Michel; Rodriguez, Jean; Coquerel, Yoann","Divergent Chemo-, Regio-, and Diastereoselective Normal Electron-Demand Povarov-Type Reactions with α-Oxo-ketene Dienophiles.","Organic letters","2014","16","16","4126","4129","10.1021/ol5018245","","x-ray","0.71073","MoKα","","0.1473","0.0635","","","0.1609","0.2214","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517255","10.4643","0.0004","12.9834","0.0005","27.5941","0.001","90","","100.005","0.001","90","","3692","0.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 Cl5 N7 O3 P Ru -","- C29 H39 Cl5 N7 O3 P Ru -","- C116 H156 Cl20 N28 O12 P4 Ru4 -","4","1","","Burgess, Samantha A.; Joslin, Evan E.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal; Myers, William H.","Hydrophenylation of ethylene using a cationic Ru(ii) catalyst: comparison to a neutral Ru(ii) catalyst","Chem. Sci.","2014","5","11","4355","","10.1039/C4SC01665C","","","0.71073","MoKα","","0.0468","0.0449","","","0.1409","0.1428","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517256","8.257","0.004","7.98","0.003","15.947","0.007","90","","119.764","0.011","90","","912.1","0.7","268","","268","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(AN)2:LiBF4","","- C4 H6 B F4 Li N2 -","- C4 H6 B F4 Li N2 -","- C16 H24 B4 F16 Li4 N8 -","4","1","","Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes","The Journal of Physical Chemistry C","2014","118","32","18377","","10.1021/jp5046782","","","0.71073","MoKα","","0.1102","0.0928","","","0.2788","0.3028","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517257","7.108","0.003","9.283","0.003","15.675","0.006","90","","90","","90","","1034.3","0.7","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Et-G1)1:LiBF4","","- C6 H14 B F4 Li O2 -","- C6 H14 B F4 Li O2 -","- C24 H56 B4 F16 Li4 O8 -","4","1","","Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes","The Journal of Physical Chemistry C","2014","118","32","18377","","10.1021/jp5046782","","","0.71073","MoKα","","0.0541","0.0326","","","0.055","0.0605","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517258","16.139","0.004","27.437","0.008","8.805","0.002","90","","97.894","0.007","90","","3862","1.7","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Et-G2)1:LiBF4","","- C24 H54 B3 F12 Li3 O9 -","- C24 H54 B3 F12 Li3 O9 -","- C96 H216 B12 F48 Li12 O36 -","4","1","","Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes","The Journal of Physical Chemistry C","2014","118","32","18377","","10.1021/jp5046782","","","0.71073","MoKα","","0.074","0.042","","","0.0915","0.1045","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517259","9.0057","0.0006","9.1739","0.0006","9.669","0.0006","90","","110.862","0.003","90","","746.46","0.08","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(THF)1:LiBF4","","- C4 H8 B F4 Li O -","- C4 H8 B F4 Li O -","- C16 H32 B4 F16 Li4 O4 -","4","1","","Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes","The Journal of Physical Chemistry C","2014","118","32","18377","","10.1021/jp5046782","","","0.71073","MoKα","","0.0921","0.0615","","","0.1648","0.1871","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517260","5.173","0.002","11.741","0.006","13.35","0.005","90","","90","","90","","810.8","0.6","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(MMA)1:LiBF4","","- C4 H8 B F4 Li O3 -","- C4 H8 B F4 Li O3 -","- C16 H32 B4 F16 Li4 O12 -","4","1","","Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes","The Journal of Physical Chemistry C","2014","118","32","18377","","10.1021/jp5046782","","","0.71073","MoKα","","0.0373","0.0299","","","0.0652","0.0683","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517261","4.9525","0.0015","9.1","0.003","15.704","0.002","90","","90","","90","","707.7","0.3","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(SN)1:LiBF4","","- C4 H4 B F4 Li N2 -","- C4 H4 B F4 Li N2 -","- C16 H16 B4 F16 Li4 N8 -","4","1","","Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes","The Journal of Physical Chemistry C","2014","118","32","18377","","10.1021/jp5046782","","","0.71073","MoKα","","0.0435","0.0297","","","0.0563","0.0588","","","","","","0.934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517262","9.8068","0.0004","11.6816","0.0005","14.8941","0.0006","90","","127.942","0.0015","90","","1345.61","0.1","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(PMDETA)1:HBF4","","- C9 H24 B F4 N3 -","- C9 H24 B F4 N3 -","- C36 H96 B4 F16 N12 -","4","1","","Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes","The Journal of Physical Chemistry C","2014","118","32","18377","","10.1021/jp5046782","","","0.71073","MoKα","","0.0811","0.0494","","","0.1079","0.1383","","","","","","1.17","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517263","16.092","0.008","12.116","0.005","14.483","0.005","90","","102.202","0.01","90","","2760","2","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(TMEDA)3/2:HBF4","","- C18 H50 B2 F8 N6 -","- C18 H50 B2 F8 N6 -","- C72 H200 B8 F32 N24 -","4","1","","Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes","The Journal of Physical Chemistry C","2014","118","32","18377","","10.1021/jp5046782","","","0.71073","MoKα","","0.0975","0.0519","","","0.1237","0.1471","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517264","7.276","0.002","12.981","0.005","21.737","0.008","76.968","0.011","84.43","0.008","82.375","0.008","1977.7","1.2","110","","110","","","","","","","","","5","P -1","-P 1","2","","(PHEN)1:HBF4","","- C24 H17 B F4 N4 -","- C24 H17 B F4 N4 -","- C96 H68 B4 F16 N16 -","4","2","","Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes","The Journal of Physical Chemistry C","2014","118","32","18377","","10.1021/jp5046782","","","0.71073","MoKα","","0.1141","0.0556","","","0.1299","0.159","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517265","14.3442","0.0001","14.3442","0.0001","26.2596","0.0003","90","","90","","90","","5403.07","0.08","140","2","140","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C30 H38 O6 -","- C30 H38 O6 -","- C240 H304 O48 -","8","1","","Yang, Yong-Xun; Shan, Lei; Liu, Qing-Xin; Shen, Yun-Heng; Zhang, Jian-Ping; Ye, Ji; Xu, Xi-Ke; Li, Hui-Liang; Zhang, Wei-Dong","Carpedilactones A-D, Four New Isomeric Sesquiterpene Lactone Dimers with Potent Cytotoxicity from Carpesium faberi.","Organic letters","2014","16","16","4216","4219","10.1021/ol501923k","","","1.54178","CuKα","","0.0558","0.0518","","","0.1485","0.1522","","","","","","1.133","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517266","11.0003","0.0002","11.3149","0.0002","11.9224","0.0002","88.459","0.001","75.604","0.001","82.956","0.001","1426.49","0.04","140","2","140","2","","","","","","","","4","P 1","P 1","1","","","","- C65 H87 N O14 -","- C65 H87 N O14 -","- C65 H87 N O14 -","1","1","","Yang, Yong-Xun; Shan, Lei; Liu, Qing-Xin; Shen, Yun-Heng; Zhang, Jian-Ping; Ye, Ji; Xu, Xi-Ke; Li, Hui-Liang; Zhang, Wei-Dong","Carpedilactones A-D, Four New Isomeric Sesquiterpene Lactone Dimers with Potent Cytotoxicity from Carpesium faberi.","Organic letters","2014","16","16","4216","4219","10.1021/ol501923k","","","1.54178","CuKα","","0.0439","0.0432","","","0.1166","0.1195","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517267","8.4688","0.0001","9.616","0.0002","32.4284","0.0005","90","","90","","90","","2640.84","0.08","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O6 -","- C30 H38 O6 -","- C120 H152 O24 -","4","1","","Yang, Yong-Xun; Shan, Lei; Liu, Qing-Xin; Shen, Yun-Heng; Zhang, Jian-Ping; Ye, Ji; Xu, Xi-Ke; Li, Hui-Liang; Zhang, Wei-Dong","Carpedilactones A-D, Four New Isomeric Sesquiterpene Lactone Dimers with Potent Cytotoxicity from Carpesium faberi.","Organic letters","2014","16","16","4216","4219","10.1021/ol501923k","","","1.54178","CuKα","","0.0373","0.0366","","","0.0934","0.0941","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517268","11.9866","0.0001","7.7683","0.0001","14.6557","0.0002","90","","110.8","","90","","1275.73","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H40 O7 -","- C30 H40 O7 -","- C60 H80 O14 -","2","1","","Yang, Yong-Xun; Shan, Lei; Liu, Qing-Xin; Shen, Yun-Heng; Zhang, Jian-Ping; Ye, Ji; Xu, Xi-Ke; Li, Hui-Liang; Zhang, Wei-Dong","Carpedilactones A-D, Four New Isomeric Sesquiterpene Lactone Dimers with Potent Cytotoxicity from Carpesium faberi.","Organic letters","2014","16","16","4216","4219","10.1021/ol501923k","","","1.54178","CuKα","","0.0308","0.0305","","","0.0822","0.0825","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517269","6.6062","0.0003","9.7077","0.0004","11.6325","0.0005","95.271","0.002","103.669","0.002","93.602","0.002","719.05","0.05","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","","Handore, Kishor L.; Reddy, D. Srinivasa","Total synthesis of (±)-nardoaristolone B and its analogues.","Organic letters","2014","16","16","4252","4255","10.1021/ol501949r","","","0.71073","MoKα","","0.0538","0.047","","","0.1323","0.1387","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517270","12.4064","0.0002","17.4016","0.0003","25.8891","0.0005","90","","90","","90","","5589.23","0.17","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C61 H54 Cl4 N4 O2 P2 Zn2 -","- C61 H54 Cl4 N4 O2 P2 Zn2 -","- C244 H216 Cl16 N16 O8 P8 Zn8 -","4","1","","Lippert, Cameron A.; Liu, Kun; Sarma, Moushumi; Parkin, Sean R.; Remias, Joseph E.; Brandewie, Christine M.; Odom, Susan A.; Liu, Kunlei","Improving carbon capture from power plant emissions with zinc- and cobalt-based catalysts","Catal. Sci. Technol.","2014","4","10","3620","","10.1039/C4CY00766B","","","1.54178","CuKα","","0.0341","0.0332","","","0.0918","0.0928","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517272","7.7279","0.0012","7.7892","0.0009","17.775","0.003","90","","92.256","0.005","90","","1069.1","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H24 O7 -","- C26 H24 O7 -","- C52 H48 O14 -","2","1","","Pudhom, Khanitha; Teerawatananond, Thapong","Rhytidenones A-F, Spirobisnaphthalenes from Rhytidhysteron sp. AS21B, an Endophytic Fungus.","Journal of natural products","2014","77","8","1962","","10.1021/np500068y","","","0.71073","MoKα","","0.0546","0.0396","","","0.0961","0.1204","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517273","14.7855","0.0007","14.7855","0.0007","17.6398","0.0009","90","","90","","90","","3856.3","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","6","I 4","I 4","79","","mono(N,N'-diphenyl-4-pyrid-4-ylbenzamidinate)-tris(N,N'-diphenyl-4- bromobenzamidinate) dirhodium, dichloromethane 1.5-solvate","","- C82.5 H63 Br3 Cl3 N9 Rh2 -","- C82.5 H63 Br3 Cl3 N9 Rh2 -","- C165 H126 Br6 Cl6 N18 Rh4 -","2","0.25","","Chartrand, Daniel; Hanan, Garry S.","Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer.","The journal of physical chemistry. A","2014","118","45","10340","10352","10.1021/jp502243c","","","1.54178","CuKα","","0.0591","0.0578","","","0.1594","0.1614","","","","","","1.076","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517274","13.6685","0.0004","17.3026","0.0005","19.4769","0.0006","73.857","0.002","74.732","0.001","79.393","0.001","4237.9","0.2","200","","200","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","cis-bis(N,N'-diphenyl-4-pyrid-4-ylbenzamidinate)-bis(N,N'-diphenyl-4- bromobenzamidinate) dirhodium, chloroform 2.5-solvate","","- C88.5 H66.5 Br2 Cl7.5 N10 Rh2 -","- C88.499 H66.499 Br2 Cl7.497 N10 Rh2 -","- C176.998 H132.998 Br4 Cl14.994 N20 Rh4 -","2","1","","Chartrand, Daniel; Hanan, Garry S.","Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer.","The journal of physical chemistry. A","2014","118","45","10340","10352","10.1021/jp502243c","","","1.54178","CuKα","","0.1238","0.0683","","","0.1689","0.1889","","","","","","0.98","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517275","13.0797","0.0003","14.1503","0.0004","25.3837","0.0007","88.073","0.0016","75.83","0.0012","72.655","0.0012","4344","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","trans-bis(N,N'-diphenyl-4-pyrid-4-ylbenzamidinate)-bis(N,N'-diphenyl-4- bromobenzamidinate) dirhodium, ethyl acetate 2.5-solvate","","- C96 H84 Br2 N10 O5 Rh2 -","- C96 H84 Br2 N10 O5 Rh2 -","- C192 H168 Br4 N20 O10 Rh4 -","2","1","","Chartrand, Daniel; Hanan, Garry S.","Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer.","The journal of physical chemistry. A","2014","118","45","10340","10352","10.1021/jp502243c","","","1.54178","CuKα","","0.044","0.0367","","","0.1004","0.1048","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517276","15.689","0.004","30.833","0.008","33.866","0.009","90","","90","","90","","16382","7","200","","200","2","","","","","","","Synthesized by the authors. See text","5","F d d d :2","-F 2uv 2vw","70","","tetra(N,N'-diphenyl-4-pyrid-4-ylbenzamidinate) dirhodium, tetrahydrate","","- C96 H80 N12 O4 Rh2 -","- C96 H80 N12 O4 Rh2 -","- C768 H640 N96 O32 Rh16 -","8","0.25","","Chartrand, Daniel; Hanan, Garry S.","Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer.","The journal of physical chemistry. A","2014","118","45","10340","10352","10.1021/jp502243c","","","0.71073","MoKα","","0.0855","0.0375","","","0.0659","0.0734","","","","","","0.962","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517277","10.3994","0.0002","12.5671","0.0002","12.064","0.0002","90","","90","","90","","1576.65","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Codeine Monohydrate","(5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol monohydrate","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Insights into hydrate formation and stability of morphinanes from a combination of experimental and computational approaches.","Molecular pharmaceutics","2014","11","9","3145","3163","10.1021/mp500334z","","x-ray","1.5418","CuKα","","0.0307","0.03","","","0.0782","0.0789","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517278","6.7621","0.0005","12.9315","0.0009","20.308","0.0014","90","","90","","90","","1775.8","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Codeine Hydrochloride Dihydrate","(5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol hydrochloride dihydrate","","- C18 H26 Cl N O5 -","- C18 H26 Cl N O5 -","- C72 H104 Cl4 N4 O20 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Insights into hydrate formation and stability of morphinanes from a combination of experimental and computational approaches.","Molecular pharmaceutics","2014","11","9","3145","3163","10.1021/mp500334z","","x-ray","0.71073","MoKα","","0.0287","0.0257","","","0.0637","0.0647","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517279","7.14435","0.00017","13.2304","0.0003","16.5408","0.0004","90","","90","","90","","1563.48","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Codeine Hydrochloride Anhydrate I","(5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol hydrochloride","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C72 H88 Cl4 N4 O12 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Insights into hydrate formation and stability of morphinanes from a combination of experimental and computational approaches.","Molecular pharmaceutics","2014","11","9","3145","3163","10.1021/mp500334z","","x-ray","0.71073","MoKα","","0.032","0.0298","","","0.0727","0.0739","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517280","7.08246","0.00018","13.1493","0.0003","18.0581","0.0005","90","","90","","90","","1681.74","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ethylmorphine Monohydrate","(5a,6a)-7,8-didehydro-4,5-epoxy-3-ethoxy-17-methylmorphinan-6-ol","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Insights into hydrate formation and stability of morphinanes from a combination of experimental and computational approaches.","Molecular pharmaceutics","2014","11","9","3145","3163","10.1021/mp500334z","","x-ray","0.71073","MoKα","","0.0334","0.0308","","","0.0725","0.0738","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517281","6.8715","0.0002","13.3924","0.0004","20.4176","0.0005","90","","90","","90","","1878.95","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ethylmorphine Hydrochloride Dihydrate","(5a,6a)-7,8-didehydro-4,5-epoxy-3-ethoxy-17-methylmorphinan-6-ol hydrochloride dihydrate","","- C19 H28 Cl N O5 -","- C19 H28 Cl N O5 -","- C76 H112 Cl4 N4 O20 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Insights into hydrate formation and stability of morphinanes from a combination of experimental and computational approaches.","Molecular pharmaceutics","2014","11","9","3145","3163","10.1021/mp500334z","","x-ray","1.5418","CuKα","","0.043","0.0397","","","0.1055","0.1085","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517282","27.7938","0.0011","6.3604","0.0003","18.1051","0.0007","90","","127.987","0.002","90","","2522.6","0.2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H32 F3 N O3 -","- C27 H32 F3 N O3 -","- C108 H128 F12 N4 O12 -","4","1","","Han, Zhengxu S.; Xu, Yibo; Fandrick, Daniel R.; Rodriguez, Sonia; Li, Zhibin; Qu, Bo; Gonnella, Nina C.; Sanyal, Sanjit; Reeves, Jonathan T.; Ma, Shengli; Grinberg, Nelu; Haddad, Nizar; Krishnamurthy, Dhileep; Song, Jinhua J.; Yee, Nathan K.; Pfrengle, Waldemar; Ostermeier, Markus; Schnaubelt, Jürgen; Leuter, Zeno; Steigmiller, Sonja; Däubler, Jürgen; Stehle, Emanuel; Neumann, Lukas; Trieselmann, Thomas; Tielmann, Patrick; Buba, Annette; Hamm, Rainer; Koch, Gunter; Renner, Svenja; Dehli, Juan R.; Schmelcher, Florian; Stange, Christian; Mack, Jürgen; Soyka, Rainer; Senanayake, Chris H.","Facile entry to an efficient and practical enantioselective synthesis of a polycyclic cholesteryl ester transfer protein inhibitor.","Organic letters","2014","16","16","4142","4145","10.1021/ol501833g","","","1.54178","CuKα","","0.0553","0.055","","","0.1474","0.1478","","","","","","1.0566","","","","has coordinates","288645","2024-01-03","15:04:00",""
"1517283","14.9925","0.0014","10.25","0.0009","14.5255","0.0013","90","","114.65","0.002","90","","2028.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N O2 Si -","- C21 H29 N O2 Si -","- C84 H116 N4 O8 Si4 -","4","1","","Si, Chang-Mei; Huang, Wei; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang","Diastereoconvergent Synthesis of trans-5-Hydroxy-6-Substituted-2-Piperidinones by Addition-Cyclization-Deprotection Process.","Organic letters","2014","16","16","4328","4331","10.1021/ol5020812","","","0.71073","MoKα","","0.0541","0.0437","","","0.1182","0.1277","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517284","7.37972","0.00012","14.8985","0.0002","16.3419","0.0003","90","","90","","90","","1796.74","0.05","105","7","105","7","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br N2 O3 -","- C22 H17 Br N2 O3 -","- C88 H68 Br4 N8 O12 -","4","1","","Ransborg, Lars Krogager; Overgaard, Mette; Hejmanowska, Joanna; Barfüsser, Sebastian; Jørgensen, Karl Anker; Albrecht, Lukasz","Asymmetric Formation of Bridged Benzoxazocines through an Organocatalytic Multicomponent Dienamine-Mediated One-Pot Cascade.","Organic letters","2014","16","16","4182","4185","10.1021/ol501882x","","x-ray","0.71073","MoKα","","0.0306","0.0284","","","0.0642","0.0653","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517285","5.5066","0.0001","14.1867","0.0002","20.951","0.0004","90","","90","","90","","1636.7","0.05","193","2","193","2","","","","","","","Schomaker Lab No. SCS2037","4","P 21 21 21","P 2ac 2ab","19","","4-methoxy-2-(1-(naphthalen-2-ylsulfonyl)ethyl)phenol","","- C19 H18 O4 S -","- C19 H18 O4 S -","- C76 H72 O16 S4 -","4","1","","Van Hoveln, R. J.; Schmid, S. C.; Tretbar, M.; Buttke, C. T.; Schomaker, J. M.","Formal asymmetric hydrobromination of styrenes via copper-catalyzed 1,3-halogen migration","Chem. Sci.","2014","5","12","4763","","10.1039/C4SC02040E","","x-ray","1.54184","CuKα","K-L~3~","0.0282","0.0279","","","0.0755","0.0757","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517286","8.5289","0.0005","10.9789","0.0007","11.4493","0.0007","87.759","0.005","72.017","0.005","78.159","0.005","997.68","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 O5 S2 -","- C19 H26 O5 S2 -","- C38 H52 O10 S4 -","2","1","","Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane","N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center","Chem. Sci.","2014","5","12","4774","","10.1039/C4SC01487A","","","0.71073","MoKα","","0.081","0.0429","","","0.072","0.0768","","","","","","0.802","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517287","16.8843","0.0016","7.6695","0.0004","16.974","0.002","90","","115.956","0.015","90","","1976.3","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl4 S2 -","- C18 H18 Cl4 S2 -","- C72 H72 Cl16 S8 -","4","1","","Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane","N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center","Chem. Sci.","2014","5","12","4774","","10.1039/C4SC01487A","","","0.71073","MoKα","","0.0591","0.0429","","","0.0924","0.1012","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517288","9.8541","0.0006","11.4575","0.0008","15.9521","0.0013","93.504","0.006","98.701","0.006","114.179","0.007","1608.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H29 Cu2 F6 N4 O7 S3 -","- C25 H29 Cu2 F6 N4 O7 S3 -","- C50 H58 Cu4 F12 N8 O14 S6 -","2","1","","Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane","N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center","Chem. Sci.","2014","5","12","4774","","10.1039/C4SC01487A","","","0.71073","MoKα","","0.0503","0.0356","","","0.0783","0.0849","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517289","9.6497","0.0005","10.7181","0.0005","16.889","0.0008","73.733","0.004","86.706","0.004","69.619","0.004","1570.31","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 Cu2 F6 N4 O7 S3 -","- C25 H28 Cu2 F6 N4 O7 S3 -","- C50 H56 Cu4 F12 N8 O14 S6 -","2","1","","Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane","N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center","Chem. Sci.","2014","5","12","4774","","10.1039/C4SC01487A","","","0.71073","MoKα","","0.1164","0.058","","","0.0952","0.1123","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517290","8.38","0.0004","20.9662","0.0009","13.0999","0.0006","90","","95.038","0.003","90","","2292.72","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Zn(DMF))2(TTFTC)(DPNI)","","","- C43 H26 N7 O15 S4 Zn2 -","- C43 H26 N7 O15 S4 Zn2 -","- C86 H52 N14 O30 S8 Zn4 -","2","0.5","","Leong, C. F.; Chan, B.; Faust, T. B.; D'Alessandro, D. M.","Controlling charge separation in a novel donor‒acceptor metal‒organic framework via redox modulation","Chem. Sci.","2014","5","12","4724","","10.1039/C4SC01551G","","","0.71073","MoKα","","0.1548","0.0937","","","0.238","0.2816","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517291","8.6712","0.0003","10.3617","0.0004","12.286","0.0004","95.336","0.002","96.851","0.002","107.63","0.002","1034.75","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H14 Cl Cu N3 O9 S -","- C17 H14 Cl Cu N3 O9 S -","- C34 H28 Cl2 Cu2 N6 O18 S2 -","2","1","","Jennifer, Samson Jegan; Muthiah, Packianathan Thomas","Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N'-donor ligands","Chemistry Central Journal","2014","8","1","42","","10.1186/1752-153X-8-42","","","0.71073","MoKα","","0.0427","0.0331","","","0.0837","0.0885","","","","","","1.04","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517292","23.8658","0.0004","16.6525","0.0004","11.3381","0.0002","90","","99.994","0.001","90","","4437.67","0.15","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Cl2 Cu N2 O5 S2 -","- C20 H14 Cl2 Cu N2 O5 S2 -","- C160 H112 Cl16 Cu8 N16 O40 S16 -","8","1","","Jennifer, Samson Jegan; Muthiah, Packianathan Thomas","Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N'-donor ligands","Chemistry Central Journal","2014","8","1","42","","10.1186/1752-153X-8-42","","","0.71073","MoKα","","0.0567","0.0335","","","0.0807","0.0919","","","","","","1.003","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517293","14.9443","0.0002","15.1728","0.0002","15.3055","0.0002","111.948","0.001","116.673","0.001","97.606","0.001","2681.16","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H18 Cl2 Cu N4 O6 S -","- C25 H18 Cl2 Cu N4 O6 S -","- C100 H72 Cl8 Cu4 N16 O24 S4 -","4","2","","Jennifer, Samson Jegan; Muthiah, Packianathan Thomas","Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N'-donor ligands","Chemistry Central Journal","2014","8","1","42","","10.1186/1752-153X-8-42","","","0.71073","MoKα","","0.0885","0.0644","","","0.1942","0.2156","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517294","13.4364","0.0003","10.4855","0.0003","20.039","0.0004","90","","123.741","0.001","90","","2347.69","0.1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 Cu N2 O5 S2 -","- C22 H14 Cl2 Cu N2 O5 S2 -","- C88 H56 Cl8 Cu4 N8 O20 S8 -","4","1","","Jennifer, Samson Jegan; Muthiah, Packianathan Thomas","Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N'-donor ligands","Chemistry Central Journal","2014","8","1","42","","10.1186/1752-153X-8-42","","","0.71073","MoKα","","0.061","0.0375","","","0.093","0.106","","","","","","1.02","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517295","19.1486","0.0009","8.1694","0.0003","19.1208","0.0008","90","","102.385","0.004","90","","2921.5","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Cu2 N4 O16 P4 -","- C20 H24 Cu2 N4 O16 P4 -","- C80 H96 Cu8 N16 O64 P16 -","4","0.5","","Jennifer, Samson Jegan; Muthiah, Packianathan Thomas","Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N'-donor ligands","Chemistry Central Journal","2014","8","1","42","","10.1186/1752-153X-8-42","","","0.71073","MoKα","","0.0532","0.0339","","","0.0869","0.109","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517296","11.2987","0.0007","14.6667","0.0009","8.2144","0.0005","90","","90","","90","","1361.25","0.14","123","2","123","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C28 H30 N4 O6 Zn -","- C28 H30 N4 O6 Zn -","- C56 H60 N8 O12 Zn2 -","2","0.5","","He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks","Chem. Sci.","2014","5","12","4755","","10.1039/C4SC01505C","","","0.71073","MoKα","","0.0588","0.0559","","","0.1237","0.1253","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517297","22.694","0.002","29.694","0.003","33.408","0.003","90","","90","","90","","22513","4","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C50 H54 N8 O11 Zn2 -","- C50 H54 N8 O11 Zn2 -","- C800 H864 N128 O176 Zn32 -","16","1","","He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks","Chem. Sci.","2014","5","12","4755","","10.1039/C4SC01505C","","","0.71073","MoKα","","0.1414","0.0825","","","0.1963","0.2396","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517298","15.2355","0.0008","15.2355","0.0008","39.1054","0.0019","90","","90","","90","","9077.2","0.8","123","2","123","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C384 H352 N64 O64 Zn16 -","16","0.5","","He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks","Chem. Sci.","2014","5","12","4755","","10.1039/C4SC01505C","","","0.71073","MoKα","","0.0486","0.0382","","","0.1055","0.1135","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517300","21.628","0.005","6.8734","0.0011","21.792","0.005","90","","115.39","0.03","90","","2926.6","1.3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C120 H136 N24 O32 -","8","1","","Subhasri, Annamalai; Anbuselvan, Chinnadurai","Facile, cost effective synthesis and DFT-based studies of substituted aryl hydrazones of β-diketones: a new selective fluorescent chemosensor for Co2+","Analytical Methods","2014","6","15","5596","","10.1039/C4AY00653D","","","0.71073","MoKα","","0.1012","0.0548","","","0.1076","0.1339","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517301","11.5105","0.0012","14.3683","0.0015","25.09","0.003","90","","90","","90","","4149.5","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H40 Br2 P2 Pd -","- C48 H40 Br2 P2 Pd -","- C192 H160 Br8 P8 Pd4 -","4","1","","Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura","Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes","Catalysis Science & Technology","2014","4","8","2626","","10.1039/c4cy00058g","","","0.71073","MoKα","","0.038","0.0297","","","0.0612","0.064","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517302","12.1698","0.0011","12.3293","0.0012","26.72","0.003","90","","98.314","0.002","90","","3967.1","0.7","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40.5 H43 Br2 O0.5 P2 Pd -","- C45.5 H43 Br2 O0.5 P2 Pd -","- C182 H172 Br8 O2 P8 Pd4 -","4","2","","Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura","Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes","Catalysis Science & Technology","2014","4","8","2626","","10.1039/c4cy00058g","","","0.71073","MoKα","","0.0695","0.0452","","","0.0866","0.0953","","","","","","0.982","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517303","10.2832","0.0009","12.9507","0.0012","10.9322","0.001","90","","112.013","0.001","90","","1349.8","0.2","298","2","298","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C25 H26 Br2 Cl2 N O P Pd -","- C25 H26 Br2 Cl2 N O P Pd -","- C50 H52 Br4 Cl4 N2 O2 P2 Pd2 -","2","1","","Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura","Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes","Catalysis Science & Technology","2014","4","8","2626","","10.1039/c4cy00058g","","","0.71073","MoKα","","0.0296","0.0269","","","0.0559","0.0568","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517344","7.9513","0.0004","10.1551","0.0005","11.4377","0.0005","103.368","0.001","96.21","0.001","100.246","0.001","873.38","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H22 Cl Cu N3 O2 -","- C17 H22 Cl Cu N3 O2 -","- C34 H44 Cl2 Cu2 N6 O4 -","2","1","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.7749","synchrotron","","0.0534","0.0515","","","0.1601","0.1622","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517345","10.9272","0.001","11.816","0.0011","18.887","0.002","73.759","0.001","81.897","0.001","72.621","0.001","2230","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H100 Cl6 Cu3 N12 O10 -","- C86 H100 Cl6 Cu3 N12 O10 -","- C86 H100 Cl6 Cu3 N12 O10 -","1","0.5","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.7749","synchrotron","","0.0586","0.0478","","","0.1168","0.1233","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517346","17.2957","0.0012","6.6675","0.0005","18.3318","0.0009","90","","119.727","0.005","90","","1835.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cu N4 O4 -","- C20 H20 Cu N4 O4 -","- C80 H80 Cu4 N16 O16 -","4","1","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.7749","synchrotron","","0.0713","0.0414","","","0.1044","0.1199","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517347","11.893","0.009","21.582","0.009","12.732","0.005","90","","92.466","0.009","90","","3265","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 Cl2 Cu2 N6 O12 -","- C25 H34 Cl2 Cu2 N6 O12 -","- C100 H136 Cl8 Cu8 N24 O48 -","4","1","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.71069","MoKα","","0.17","0.0626","","","0.1175","0.1479","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517348","7.629","0.003","13.448","0.004","17.723","0.005","110.693","0.004","97.801","0.004","94.246","0.004","1670.6","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 Cl2 Cu2 N6 O11 -","- C31 H32 Cl2 Cu2 N6 O11 -","- C62 H64 Cl4 Cu4 N12 O22 -","2","1","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.7749","synchrotron","","0.0874","0.0721","","","0.2024","0.2123","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517349","15.8661","0.0005","15.9224","0.0005","26.4434","0.0009","76.076","0.001","87.396","0.001","68.366","0.001","6020.3","0.3","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H125 Cu8 N31 O43 -","- C89 H87 Cu8 N31 O39 -","- C178 H174 Cu16 N62 O78 -","2","1","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.71073","MoKα","","0.0652","0.0445","","","0.1316","0.14","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517350","7.8669","0.0013","10.4681","0.0018","17.696","0.003","90","","90","","90","","1457.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C48 H72 N8 O24 -","4","1","","Jia, Xiangxiang; Li, Yan; Xiao, Longqiang; Liu, Lijian","Synthesis and characterization of fluorescent oligo(3,4,5-triethoxycarbonyl-2-pyrazoline)","Polymer Chemistry","2014","5","16","4781","","10.1039/C4PY00315B","","","0.71073","MoKα","","0.0574","0.0498","","","0.1358","0.1435","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517355","18.239","0.003","3.8855","0.0007","25.404","0.004","90","","91.023","0.009","90","","1800","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 S2 -","- C26 H16 S2 -","- C104 H64 S8 -","4","1","","Amir, Elizabeth; Murai, Masahito; Amir, Roey J.; Cowart, John S.; Chabinyc, Michael L.; Hawker, Craig J.","Conjugated oligomers incorporating azulene building blocks ‒ seven- vs. five-membered ring connectivity","Chem. Sci.","2014","5","11","4483","","10.1039/C4SC02210F","","","0.71073","MoKα","","0.1193","0.0697","","","0.1468","0.162","","","","","","1.246","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517356","10.961","0.0012","23.617","0.003","14.6288","0.0016","90","","97.762","0.002","90","","3752.2","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 S2 -","- C26 H15.5 S2 -","- C208 H124 S16 -","8","2","","Amir, Elizabeth; Murai, Masahito; Amir, Roey J.; Cowart, John S.; Chabinyc, Michael L.; Hawker, Craig J.","Conjugated oligomers incorporating azulene building blocks ‒ seven- vs. five-membered ring connectivity","Chem. Sci.","2014","5","11","4483","","10.1039/C4SC02210F","","","0.71073","MoKα","","0.0667","0.0436","","","0.1084","0.1179","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517357","8.4484","0.0019","6.0156","0.0013","16.494","0.004","90","","104.755","0.003","90","","810.6","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Br O3 -","- C18 H17 Br O3 -","- C36 H34 Br2 O6 -","2","1","","Abascal, Nadia C.; Lichtor, Phillip A.; Giuliano, Michael W.; Miller, Scott J.","Function-Oriented Investigations of a Peptide-Based Catalyst that Mediates Enantioselective Allylic Alcohol Epoxidation.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","11","4504","4511","10.1039/C4SC01440E","","","0.71073","MoKα","","0.0281","0.025","","","0.0583","0.0599","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517358","22.231","0.003","12.5844","0.0017","12.8929","0.0017","90","","90","","90","","3607","0.8","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","XPhosAu(MeCN)PF6","(Acetonitrile)[2-dicyclohexylphosphino-2,4,6-triisopropylbiphenyl]gold(I) hexafluorophosphate","","- C35 H52 Au F6 N P2 -","- C35 H52 Au F6 N P2 -","- C140 H208 Au4 F24 N4 P8 -","4","1","","Lau, Vivian M.; Gorin, Craig F.; Kanan, Matthew W.","Electrostatic control of regioselectivity via ion pairing in a Au(i)-catalyzed rearrangement","Chem. Sci.","2014","5","12","4975","","10.1039/C4SC02058H","","","0.71073","MoKα","","0.0359","0.0313","","","0.0669","0.0682","","","","","","1.202","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517359","23.6604","0.0011","9.3856","0.0004","10.4813","0.0005","90","","90","","90","","2327.55","0.18","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","Pd-alkyne cat","","","- C20 H35 Cl P2 Pd -","- C20 H35 Cl P2 Pd -","- C80 H140 Cl4 P8 Pd4 -","4","1","","Xue, Ya-Xin; Chen, Jia-Li; Jiang, Zhi-Qiang; Yu, Zhipeng; Liu, Na; Yin, Jun; Zhu, Yuan-Yuan; Wu, Zong-Quan","Living polymerization of arylisocyanide initiated by the phenylethynyl palladium(ii) complex","Polym. Chem.","2014","5","22","6435","","10.1039/C4PY01023J","","","0.71073","MoKα","","0.0374","0.0284","","","0.05","0.0552","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517360","10.1892","0.0003","19.1512","0.0007","22.8693","0.0009","73.339","0.002","83.858","0.002","89.798","0.002","4249","0.3","100","2","100.15","","","","","","","","","9","P -1","-P 1","2","","[(P2N2)Mn(CO)(dppm)][BArF]","","- C88.72 H66 B Cl1.44 F24 Mn N2 O P4 -","- C88.72 H66 B Cl1.44 F24 Mn N2 O P4 -","- C177.44 H132 B2 Cl2.88 F48 Mn2 N4 O2 P8 -","2","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.0887","0.0651","","","0.1405","0.1495","","","","","","1.126","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517361","13.0764","0.0005","16.0035","0.0006","17.7414","0.0006","102.567","0.002","93.99","0.002","113.051","0.002","3284.5","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","(Ph,Me-PNP)Mn(Br)(CO)(bppm)","","- C68 H49 Br F24 Mn N O P4 -","- C68 H49 Br F24 Mn N O P4 -","- C136 H98 Br2 F48 Mn2 N2 O2 P8 -","2","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.0407","0.0306","","","0.0735","0.0776","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517362","13.4167","0.0003","33.2709","0.0008","14.2193","0.0003","90","","106.658","0.001","90","","6080.9","0.2","140","","140","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Ph,Me-PNP)MnH(CO)(bppm)","","- C61 H42 F24 Mn N O P4 -","- C61 H42 F24 Mn N O P4 -","- C244 H168 F96 Mn4 N4 O4 P16 -","4","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.0735","0.044","","","0.0987","0.1104","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517363","22.5699","0.0012","8.5815","0.0005","10.3862","0.0006","90","","90","","90","","2011.6","0.2","100","","100","","","","","","","","","8","P m n 21","P 2ac -2","31","","(Ph/Me-PNP)Mn(OTf)(CO)3","","- C43 H37 F5 Mn N O6 P2 S -","- C43 H37 F5 Mn N O6 P2 S -","- C86 H74 F10 Mn2 N2 O12 P4 S2 -","2","0.5","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","x-ray","0.71073","MoKα","K-L~3~","0.0267","0.025","","","0.0634","0.0643","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517364","13.826","0.0005","14.0301","0.0005","14.8023","0.0005","108.714","0.001","109.969","0.001","96.491","0.001","2474.82","0.15","150","","150","","","","","","","","","8","P 1","P 1","1","","[(Ph,Me-PNP)Mn(CO(bppm)][B(C6F5)4]","","- C103 H57 B F46 Mn N O P4 -","- C103 H57 B F46 Mn N O P4 -","- C103 H57 B F46 Mn N O P4 -","1","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.0491","0.042","","","0.1123","0.1174","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517365","20.4905","0.0012","14.9413","0.0013","30.717","0.002","90","","107.769","0.003","90","","8955.5","1.1","150","","150","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","[(Ph,Me-PNP)Mn(CO)2(bppm)][B(C6F5)4]","","- C92 H46 B Br F44 Mn N O2 P4 -","- C92 H46 B Br F44 Mn N O2 P4 -","- C368 H184 B4 Br4 F176 Mn4 N4 O8 P16 -","4","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.1249","0.0594","","","0.127","0.1531","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517366","14.3935","0.0009","15.8738","0.0014","23.3799","0.0017","73.676","0.003","72.993","0.003","82.991","0.004","4897.7","0.6","140","","140","","","","","","","","","9","P -1","-P 1","2","","","","- C100 H55.5 B Br2.5 F44 Mn N O P4 -","- C100 H55.5 B Br2.5 F44 Mn N O P4 -","- C200 H111 B2 Br5 F88 Mn2 N2 O2 P8 -","2","1","","Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris","Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning","Chem. Sci.","2014","5","12","4729","","10.1039/C4SC01801J","","","0.71073","MoKα","","0.0917","0.0641","","","0.1754","0.1934","","","","","","1.05","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517367","13.6043","0.0018","29.34","0.004","11.7173","0.0015","90","","101.006","0.003","90","","4590.9","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 Cl6 N2 -","- C46 H58 Cl6 N2 -","- C184 H232 Cl24 N8 -","4","1","","Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan","Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character","Chem. Sci.","2014","5","12","4944","","10.1039/C4SC01843E","","","0.71073","MoKα","","0.0632","0.0489","","","0.121","0.1279","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517368","18.183","0.005","17.083","0.005","10.329","0.003","90","","97.513","0.005","90","","3180.9","1.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N2 -","- C42 H48 N2 -","- C168 H192 N8 -","4","0.5","","Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan","Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character","Chem. Sci.","2014","5","12","4944","","10.1039/C4SC01843E","","","0.71073","MoKα","","0.0676","0.0488","","","0.1163","0.126","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517369","25.799","0.006","18.171","0.004","11.441","0.003","90","","103.053","0.004","90","","5225","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C66 H76 N2 -","- C66 H76 N2 -","- C264 H304 N8 -","4","0.5","","Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan","Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character","Chem. Sci.","2014","5","12","4944","","10.1039/C4SC01843E","","","0.71073","MoKα","","0.1196","0.0839","","","0.2355","0.2628","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517370","17.4188","0.0006","17.5604","0.0006","22.7255","0.0004","87.6505","0.001","71.9113","0.0012","60.5328","0.0007","5700.3","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","hexylTIDS2Pd3PPh34","hexylTIDS2Pd3PPh34","","- C127 H108 Cl6 N2 O4 P4 Pd3 S4 -","- C127 H108 Cl6 N2 O4 P4 Pd3 S4 -","- C254 H216 Cl12 N4 O8 P8 Pd6 S8 -","2","1","","Suzuki, Tsuyoshi; Nakagawa, Takafumi; Ohkubo, Kei; Fukuzumi, Shunichi; Matsuo, Yutaka","Electronic infrared light absorption of a tri-palladium complex containing two π-expanded tetracene ligands","Chem. Sci.","2014","5","12","4888","","10.1039/C4SC02018A","","","1.54187","CuKα","","0.0705","0.0663","","","0.2286","0.2344","","","","","","1.578","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517371","13.8975","0.0003","16.8234","0.0003","17.2132","0.0004","99.9912","0.0011","112.238","0.0011","111.275","0.001","3238.06","0.13","123","2","123","2","","","","","","","","8","P -1","-P 1","2","Pd-monoTIDS","Pd_TIDS_PPh3_2","","- C64 H51 Cl4 N O2 P2 Pd S2 -","- C64 H51 Cl4 N O2 P2 Pd S2 -","- C128 H102 Cl8 N2 O4 P4 Pd2 S4 -","2","1","","Suzuki, Tsuyoshi; Nakagawa, Takafumi; Ohkubo, Kei; Fukuzumi, Shunichi; Matsuo, Yutaka","Electronic infrared light absorption of a tri-palladium complex containing two π-expanded tetracene ligands","Chem. Sci.","2014","5","12","4888","","10.1039/C4SC02018A","","","1.54187","CuKα","","0.1824","0.1559","","","0.3862","0.4098","","","","","","1.76","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517372","8.5098","0.0002","12.702","0.0003","25.9391","0.0004","90","","90","","90","","2803.8","0.1","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O4 -","- C30 H50 O4 -","- C120 H200 O16 -","4","1","","Wang, Hongmin; Ning, Ruonan; Shen, Yu; Chen, Zhenhua; Li, Jinlong; Zhang, Rujun; Leng, Ying; Zhao, Weimin","Lithocarpic Acids A-N, 3,4-seco-Cycloartane Derivatives from the Cupules of Lithocarpus polystachyus.","Journal of natural products","2014","77","8","1910","","10.1021/np500379f","","","1.54178","CuKα","","0.0504","0.0453","","","0.1196","0.1256","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517373","16.5653","0.0002","7.6049","0.0001","23.1068","0.0003","90","","98.408","0.001","90","","2879.65","0.06","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H50.5 N0.5 O4.5 -","- C31 H49.5 N0.5 O4.5 -","- C124 H198 N2 O18 -","4","2","","Wang, Hongmin; Ning, Ruonan; Shen, Yu; Chen, Zhenhua; Li, Jinlong; Zhang, Rujun; Leng, Ying; Zhao, Weimin","Lithocarpic Acids A-N, 3,4-seco-Cycloartane Derivatives from the Cupules of Lithocarpus polystachyus.","Journal of natural products","2014","77","8","1910","","10.1021/np500379f","","","1.54178","CuKα","","0.0576","0.0545","","","0.1537","0.1582","","","","","","0.928","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1517374","7.6982","0.0012","19.44","0.003","21.085","0.003","90","","90","","90","","3155.4","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O6 -","- C30 H48 O6 -","- C120 H192 O24 -","4","1","","Wang, Hongmin; Ning, Ruonan; Shen, Yu; Chen, Zhenhua; Li, Jinlong; Zhang, Rujun; Leng, Ying; Zhao, Weimin","Lithocarpic Acids A-N, 3,4-seco-Cycloartane Derivatives from the Cupules of Lithocarpus polystachyus.","Journal of natural products","2014","77","8","1910","","10.1021/np500379f","","","1.54178","CuKα","","0.1459","0.1279","","","0.3179","0.3386","","","","","","1.407","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517375","8.6352","0.0001","9.5547","0.0001","22.1075","0.0003","90","","96.19","","90","","1813.38","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O8 -","- C20 H30 O8 -","- C80 H120 O32 -","4","2","","Zeng, Junfen; Xue, Yongbo; Shu, Penghua; Qian, Huiqin; Sa, Rongjian; Xiang, Ming; Li, Xiao-Nian; Luo, Zengwei; Yao, Guangmin; Zhang, Yonghui","Diterpenoids with Immunosuppressive Activities from Cinnamomum cassia.","Journal of natural products","2014","77","8","1948","","10.1021/np500465g","","","1.54178","CuKα","","0.0288","0.0287","","","0.0749","0.075","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517376","9.5101","0.0002","13.9479","0.0003","14.2836","0.0003","90","","90","","90","","1894.66","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O7 -","- C20 H30 O7 -","- C80 H120 O28 -","4","1","","Zeng, Junfen; Xue, Yongbo; Shu, Penghua; Qian, Huiqin; Sa, Rongjian; Xiang, Ming; Li, Xiao-Nian; Luo, Zengwei; Yao, Guangmin; Zhang, Yonghui","Diterpenoids with Immunosuppressive Activities from Cinnamomum cassia.","Journal of natural products","2014","77","8","1948","","10.1021/np500465g","","","1.54178","CuKα","","0.0332","0.033","","","0.084","0.0842","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517377","10.41133","0.00012","16.7811","0.00018","19.4871","0.0002","90","","90","","90","","3404.66","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C160 H208 N16 O8 -","8","2","","Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Iboga-Type Alkaloids from Ervatamia officinalis.","Journal of natural products","2014","77","8","1839","","10.1021/np500240b","","","1.54178","CuKα","","0.0289","0.0281","","","0.0721","0.0729","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517378","12.5408","0.0001","12.5941","0.0001","21.8561","0.0003","90","","90","","90","","3451.95","0.06","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C160 H192 N16 O24 -","8","2","","Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Iboga-Type Alkaloids from Ervatamia officinalis.","Journal of natural products","2014","77","8","1839","","10.1021/np500240b","","","1.54178","CuKα","","0.0339","0.0319","","","0.0763","0.0779","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517379","9.5735","0.0002","9.44199","0.00019","10.4447","0.0002","90","","109.162","0.002","90","","891.82","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C40 H48 N4 O8 -","2","1","","Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Iboga-Type Alkaloids from Ervatamia officinalis.","Journal of natural products","2014","77","8","1839","","10.1021/np500240b","","","1.54178","CuKα","","0.028","0.0276","","","0.0724","0.0728","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517380","7.67421","0.00012","12.52462","0.00016","9.64312","0.00018","90","","100.659","0.0017","90","","910.87","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C40 H56 N4 O6 -","2","1","","Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Iboga-Type Alkaloids from Ervatamia officinalis.","Journal of natural products","2014","77","8","1839","","10.1021/np500240b","","","1.54178","CuKα","","0.0254","0.0251","","","0.0659","0.0662","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517381","8.13883","0.00013","10.17692","0.00016","21.8799","0.0003","90","","90","","90","","1812.27","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C80 H112 N8 O12 -","4","1","","Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Iboga-Type Alkaloids from Ervatamia officinalis.","Journal of natural products","2014","77","8","1839","","10.1021/np500240b","","","1.54178","CuKα","","0.0277","0.0275","","","0.0738","0.0742","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517382","7.2595","0.0007","7.5636","0.0005","36.246","0.003","90","","90","","90","","1990.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O7 S2 -","- C19 H20 N2 O7 S2 -","- C76 H80 N8 O28 S8 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Lv, Cui-Ting; Huang, Cai-Guo; Wang, Bin-Gui","Brocazines A-F, Cytotoxic Bisthiodiketopiperazine Derivatives from Penicillium brocae MA-231, an Endophytic Fungus Derived from the Marine Mangrove Plant Avicennia marina.","Journal of natural products","2014","77","8","1921","","10.1021/np500382k","","","0.71073","MoKα","","0.098","0.065","","","0.1352","0.1595","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517383","16.7824","0.0011","8.1768","0.0004","7.5091","0.0003","90","","107.502","0.002","90","","982.74","0.09","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20 N2 O6 S2 -","- C18 H20 N2 O6 S2 -","- C36 H40 N4 O12 S4 -","2","0.5","","Meng, Ling-Hong; Li, Xiao-Ming; Lv, Cui-Ting; Huang, Cai-Guo; Wang, Bin-Gui","Brocazines A-F, Cytotoxic Bisthiodiketopiperazine Derivatives from Penicillium brocae MA-231, an Endophytic Fungus Derived from the Marine Mangrove Plant Avicennia marina.","Journal of natural products","2014","77","8","1921","","10.1021/np500382k","","","1.54178","CuKα","","0.0699","0.0536","","","0.1394","0.1465","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517384","8.99959","0.00015","9.16301","0.00014","15.8136","0.0003","90","","100.223","0.0017","90","","1283.34","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H36 O9 -","- C28 H36 O9 -","- C56 H72 O18 -","2","1","","Fu, Ying; Wu, Ping; Xue, Jinghua; Wei, Xiaoyi","Cytotoxic and Antibacterial Quinone Sesquiterpenes from a Myrothecium Fungus.","Journal of natural products","2014","77","8","1791","","10.1021/np500142g","","","1.54184","CuKα","","0.032","0.0299","","","0.0763","0.0785","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517385","11.0367","0.0006","9.0626","0.0005","19.1081","0.001","90","","98.327","0.0007","90","","1891.07","0.18","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl N O5 -","- C21 H22 Cl N O5 -","- C84 H88 Cl4 N4 O20 -","4","1","","Cleary, Leah; Pitzen, Jennifer; Brailsford, John A.; Shea, Kenneth J.","Progress toward the Total Synthesis of N-Methylwelwitindolinone B Isothiocyanate.","Organic letters","2014","16","17","4460","","10.1021/ol5020043","","","0.71073","MoKα","","0.043","0.0344","","","0.0842","0.0889","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517386","9.6052","0.0005","14.5858","0.0007","14.9637","0.0007","67.5035","0.0006","80.6214","0.0006","86.2284","0.0006","1910.97","0.16","88","2","88","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C88 H108 N4 O20 -","4","2","","Cleary, Leah; Pitzen, Jennifer; Brailsford, John A.; Shea, Kenneth J.","Progress toward the Total Synthesis of N-Methylwelwitindolinone B Isothiocyanate.","Organic letters","2014","16","17","4460","","10.1021/ol5020043","","","0.71073","MoKα","","0.046","0.0404","","","0.1055","0.1103","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517387","7.4167","0.0005","8.783","0.0006","9.1296","0.0007","104.251","0.0008","98.7965","0.0008","110.147","0.0007","522.34","0.06","83","2","83","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C26 H36 O4 -","2","1","","Roosen, Philipp C.; Vanderwal, Christopher D.","Investigations into an Anionic Oxy-Cope/Transannular Conjugate Addition Approach to 7,20-Diisocyanoadociane.","Organic letters","2014","16","17","4368","","10.1021/ol502205m","","","0.71073","MoKα","","0.0411","0.0391","","","0.1147","0.1168","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517388","8.5541","0.0007","8.9646","0.0008","20.1698","0.0017","90","","101.772","0.0011","90","","1514.2","0.2","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O2 -","- C18 H26 O2 -","- C72 H104 O8 -","4","1","","Roosen, Philipp C.; Vanderwal, Christopher D.","Investigations into an Anionic Oxy-Cope/Transannular Conjugate Addition Approach to 7,20-Diisocyanoadociane.","Organic letters","2014","16","17","4368","","10.1021/ol502205m","","","0.71073","MoKα","","0.052","0.0401","","","0.1","0.1072","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517389","5.9268","0.0006","33.959","0.004","7.8335","0.0008","90","","105.164","0.0012","90","","1521.7","0.3","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O2 -","- C18 H26 O2 -","- C72 H104 O8 -","4","1","","Roosen, Philipp C.; Vanderwal, Christopher D.","Investigations into an Anionic Oxy-Cope/Transannular Conjugate Addition Approach to 7,20-Diisocyanoadociane.","Organic letters","2014","16","17","4368","","10.1021/ol502205m","","","0.71073","MoKα","","0.0466","0.039","","","0.1012","0.1064","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517390","22.1736","0.0005","8.6842","0.0002","10.5294","0.0002","90","","90","","90","","2027.54","0.08","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H18 B2 F8 N2 -","- C22 H18 B2 F8 N2 -","- C88 H72 B8 F32 N8 -","4","0.5","","Zhang, Xiaoping; Clennan, Edward L.; Arulsamy, Navamoney","Photophysical and Electrochemical Characterization of a Helical Viologen, N,N'-Dimethyl-5,10-diaza[5]helicene.","Organic letters","2014","16","17","4610","","10.1021/ol502180y","","","0.71073","MoKα","","0.0521","0.0426","","","0.1182","0.1269","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517391","9.1194","0.0012","26.295","0.004","7.2648","0.001","90","","99.144","0.002","90","","1719.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Gao, Qinghe; Liu, Shan; Wu, Xia; Wu, Anxin","Povarov-Type Reaction Using Methyl as New Input: Direct Synthesis of Substituted Quinolines by I2-Mediated Formal [3 + 2 + 1] Cycloaddition.","Organic letters","2014","16","17","4582","","10.1021/ol502134u","","","0.71073","MoKα","","0.0771","0.0523","","","0.1384","0.1555","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517392","26.156","0.002","16.7699","0.0016","15.5605","0.0014","90","","106.958","0.006","90","","6528.6","1","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Br N O3 S -","- C17 H18 Br N O3 S -","- C272 H288 Br16 N16 O48 S16 -","16","2","","Evans, P. Andrew; Burnie, Andrew J.; Negru, Daniela E.","Rhodium-Catalyzed [(3+2)+1] Carbocyclization Reactions of Alkynylidenecyclopropanes with Carbon Monoxide: Regiospecific Construction of Polysubstituted Phenols.","Organic letters","2014","16","17","4356","","10.1021/ol501724s","","","0.71073","MoKα","","0.0908","0.0532","","","0.1219","0.1371","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517393","9.6181","0.0006","11.3853","0.0006","11.4584","0.0006","96.403","0.002","92.318","0.002","109.423","0.002","1171.93","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Br Cl N2 O2 S -","- C26 H20 Br Cl N2 O2 S -","- C52 H40 Br2 Cl2 N4 O4 S2 -","2","1","","Kiruthika, Selvarangam E.; Nandakumar, Avanashiappan; Perumal, Paramasivan Thirumalai","Synthesis of Pyrrolo-/Indolo[1,2-a]quinolines and Naphtho[2,1-b]thiophenes from gem-Dibromovinyls and Sulphonamides.","Organic letters","2014","16","17","4424","","10.1021/ol5019085","","","0.71073","MoKα","","0.0444","0.0325","","","0.0803","0.0864","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517394","8.7271","0.0012","10.0996","0.0014","18.599","0.003","90","","90","","90","","1639.3","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O6 -","- C15 H26 O6 -","- C60 H104 O24 -","4","1","","Wu, Yi-Biao; Tang, Yu; Luo, Guo-Ying; Chen, Yang; Hsung, Richard P.","An Approach toward Constructing the Trioxadispiroketal Core in the DEF-Ring of (+)-Spirastrellolide A.","Organic letters","2014","16","17","4550","","10.1021/ol502103b","","","0.71075","MoKα","","0.0851","0.0545","","","0.1122","0.129","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517395","9.881","0.002","10.831","0.002","11.457","0.002","97.91","0.03","101.73","0.03","98.44","0.03","1169.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 Cl2 O3 -","- C27 H22 Cl2 O3 -","- C54 H44 Cl4 O6 -","2","1","","Liang, Renxiao; Ma, Tongmei; Zhu, Shifa","Silver-Catalyzed Reaction of Enynals with Alkenes: A Tandem 1,3-Dipolar Cycloaddition/Cyclopropanation.","Organic letters","2014","16","17","4412","","10.1021/ol5017299","","","0.71073","MoKα","","0.074","0.0626","","","0.1938","0.2","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517396","10.7856","0.0014","11.0756","0.0015","12.1131","0.0016","69.1857","0.0019","65.3217","0.0018","63.0462","0.0019","1147.1","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","2","","Slater, Natasha H.; Brown, Natalie J.; Elsegood, Mark R. J.; Kimber, Marc C.","The Au(I) Catalyzed Activation of Allenamides and Their Subsequent Transformation into Chromanes: A Method for the Regiocontrolled Addition to the α- and γ-Positions of the Allene Unit.","Organic letters","2014","16","17","4606","","10.1021/ol502178v","","","0.71073","MoKα","","0.0502","0.0409","","","0.11","0.1175","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517397","14.2303","0.0008","9.9756","0.0006","11.3012","0.0006","90","","99.263","0.004","90","","1583.35","0.16","107","2","107","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","David, Jonathan G.; Bai, Wen-Ju; Weaver, Marisa G.; Pettus, Thomas R. R.","A General Diastereoselective Catalytic Vinylogous Aldol Reaction Among Tetramic Acid-Derived Pyrroles.","Organic letters","2014","16","17","4384","","10.1021/ol501715r","","","0.71073","MoKα","","0.0634","0.0418","","","0.0982","0.1084","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517398","10.1392","0.0019","6.5215","0.0012","22.148","0.004","90","","99.666","0.006","90","","1443.7","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","1","","Zhang, Zeguang; Jiang, Xuefeng","Oxidative Coupling of Terminal Alkyne with α-Hydroxy Ketone: An Expedient Approach toward Ynediones.","Organic letters","2014","16","17","4400","","10.1021/ol502298a","","","0.71073","MoKα","","0.0492","0.0352","","","0.0976","0.1101","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517399","11.6235","0.0004","10.0558","0.0003","16.1897","0.0006","90","","127.493","0.002","90","","1501.41","0.1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 Si -","- C15 H19 N O3 Si -","- C60 H76 N4 O12 Si4 -","4","1","","Liu, Shasha; Zhao, Jinbo; Kaminsky, Lauren; Wilson, Robert J.; Marino, Nadia; Clark, Daniel A.","Ethylene Transposition: Ruthenium Hydride Catalyzed Intramolecular trans-Silylvinylation of Internal Alkynes.","Organic letters","2014","16","17","4456","","10.1021/ol5020027","","","1.54178","CuKα","","0.0395","0.0374","","","0.098","0.0997","","","","","","1.141","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517400","11.6235","0.0004","10.0558","0.0003","18.5574","0.0006","90","","136.196","0.002","90","","1501.41","0.1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 Si -","- C15 H19 N O3 Si -","- C60 H76 N4 O12 Si4 -","4","1","","Liu, Shasha; Zhao, Jinbo; Kaminsky, Lauren; Wilson, Robert J.; Marino, Nadia; Clark, Daniel A.","Ethylene Transposition: Ruthenium Hydride Catalyzed Intramolecular trans-Silylvinylation of Internal Alkynes.","Organic letters","2014","16","17","4456","","10.1021/ol5020027","","","1.54178","CuKα","","0.0395","0.0374","","","0.098","0.0997","","","","","","1.14","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517401","11.6235","0.0004","10.0558","0.0003","12.9667","0.0004","90","","97.843","0.002","90","","1501.42","0.08","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O3 Si -","- C15 H19 N O3 Si -","- C60 H76 N4 O12 Si4 -","4","1","","Liu, Shasha; Zhao, Jinbo; Kaminsky, Lauren; Wilson, Robert J.; Marino, Nadia; Clark, Daniel A.","Ethylene Transposition: Ruthenium Hydride Catalyzed Intramolecular trans-Silylvinylation of Internal Alkynes.","Organic letters","2014","16","17","4456","","10.1021/ol5020027","","","1.54178","CuKα","","0.0395","0.0374","","","0.098","0.0997","","","","","","1.142","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517402","11.2333","0.0003","13.7701","0.0003","15.8106","0.0004","115.076","0.001","103.332","0.001","92.587","0.001","2126.93","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24.25 H21.5 Br Cl0.5 O4 -","- C24.25 H21 Br Cl0.5 O4 -","- C97 H84 Br4 Cl2 O16 -","4","2","","Mariaule, Gaëlle; Newsome, Gregory; Toullec, Patrick Y.; Belmont, Philippe; Michelet, Véronique","Silver-Catalyzed Domino Hydroarylation/Cycloisomerization Reactions of ortho-Alkynylbenzaldehydes: An Entry to Functionalized Isochromene Derivatives.","Organic letters","2014","16","17","4570","","10.1021/ol5021256","","","1.54178","CuKα","","0.0518","0.0509","","","0.1046","0.105","","","","","","1.221","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517403","9.18695","0.00015","9.48126","0.00017","21.1713","0.0003","82.38","0.0014","83.5029","0.0013","79.8305","0.0014","1791.47","0.05","120","0.2","120","0.2","","","","","","","","4","P 1","P 1","1","","","","- C35 H35 O17.5 S1.5 -","- C35 H35 O17.5 S1.5 -","- C70 H70 O35 S3 -","2","2","","Zhou, Xue-Ming; Zheng, Cai-Juan; Chen, Guang-Ying; Song, Xiao-Ping; Han, Chang-Ri; Li, Gao-Nan; Fu, Yan-Hui; Chen, Wen-Hao; Niu, Zhi-Gang","Bioactive Anthraquinone Derivatives from the Mangrove-Derived Fungus Stemphylium sp. 33231.","Journal of natural products","2014","77","9","2021","2028","10.1021/np500340y","","","1.5418","CuKα","","0.0531","0.0496","","","0.1394","0.1451","","","","","","1.057","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1517404","5.66941","0.00019","10.876","0.0004","23.9077","0.0007","90","","90","","90","","1474.16","0.09","110.02","0.1","110.02","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O7 -","- C16 H20 O7 -","- C64 H80 O28 -","4","1","","Zhou, Xue-Ming; Zheng, Cai-Juan; Chen, Guang-Ying; Song, Xiao-Ping; Han, Chang-Ri; Li, Gao-Nan; Fu, Yan-Hui; Chen, Wen-Hao; Niu, Zhi-Gang","Bioactive Anthraquinone Derivatives from the Mangrove-Derived Fungus Stemphylium sp. 33231.","Journal of natural products","2014","77","9","2021","2028","10.1021/np500340y","","","1.5418","CuKα","","0.033","0.0313","","","0.0765","0.0779","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517405","6.16471","0.00007","11.40078","0.00015","23.0795","0.0003","90","","90","","90","","1622.09","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O10 -","- C17 H20 O10 -","- C68 H80 O40 -","4","1","","Zhou, Xue-Ming; Zheng, Cai-Juan; Chen, Guang-Ying; Song, Xiao-Ping; Han, Chang-Ri; Li, Gao-Nan; Fu, Yan-Hui; Chen, Wen-Hao; Niu, Zhi-Gang","Bioactive Anthraquinone Derivatives from the Mangrove-Derived Fungus Stemphylium sp. 33231.","Journal of natural products","2014","77","9","2021","2028","10.1021/np500340y","","","1.5418","CuKα","","0.0283","0.0265","","","0.0653","0.0672","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517406","7.9773","0.0001","20.0228","0.0003","20.8545","0.0003","90","","90","","90","","3331.05","0.08","119.99","0.18","119.99","0.18","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C152 H160 O48 -","8","2","","Zhou, Xue-Ming; Zheng, Cai-Juan; Chen, Guang-Ying; Song, Xiao-Ping; Han, Chang-Ri; Li, Gao-Nan; Fu, Yan-Hui; Chen, Wen-Hao; Niu, Zhi-Gang","Bioactive Anthraquinone Derivatives from the Mangrove-Derived Fungus Stemphylium sp. 33231.","Journal of natural products","2014","77","9","2021","2028","10.1021/np500340y","","","1.54184","CuKα","","0.0335","0.0303","","","0.0704","0.0725","","","","","","1.036","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517407","13.649","0.0013","7.6848","0.0014","23.486","0.007","90","","96.889","0.018","90","","2445.7","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","3-{3-[((2R)-3-{[2-(2,3-Dihydro-1H-inden-2-yl)-1,1-dimethylethyl]amino}-2- hydroxypropyl)oxy]-4,5-difluorophenyl}propanoic acid, hydrochloride salt","","- C25 H32 Cl F2 N O4 -","- C25 H32 Cl F2 N O4 -","- C100 H128 Cl4 F8 N4 O16 -","4","2","","Vogt, Frederick G.; Williams, Glenn R.; Strohmeier, Mark; Johnson, Matthew N.; Copley, Royston C. B.","Solid-state NMR analysis of a complex crystalline phase of ronacaleret hydrochloride.","The journal of physical chemistry. B","2014","118","34","10266","10284","10.1021/jp505061j","","","0.71073","MoKα","","0.0609","0.0423","","","0.0974","0.109","","","","","","0.964","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517408","6.1375","0.0012","7.7099","0.0015","20.954","0.004","90","","90","","90","","991.5","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl O2 -","- C11 H11 Cl O2 -","- C44 H44 Cl4 O8 -","4","1","","Lu, Aidang; Wang, Jinjin; Liu, Tengjiao; Han, Jian; Li, Yinhui; Su, Min; Chen, Jianxin; Zhang, Hui; Wang, Lizhong; Wang, Qingmin","Small Changes Result in Large Differences: Discovery of (-)-Incrustoporin Derivatives as Novel Antiviral and Antifungal Agents.","Journal of agricultural and food chemistry","2014","62","35","8799","8807","10.1021/jf503060k","","","0.71073","MoKα","","0.0422","0.0373","","","0.0854","0.0889","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517409","11.012","0.002","11.015","0.002","12.183","0.002","90","","90","","90","","1477.8","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C60 H92 N4 O12 -","4","1","","Long, Jing; Zhang, Shan-Feng; Wang, Pan-Pan; Zhang, Xue-Mei; Yang, Zhong-Jin; Zhang, Quan; Chen, Yue","Total syntheses of parthenolide and its analogues with macrocyclic stereocontrol.","Journal of medicinal chemistry","2014","57","16","7098","7112","10.1021/jm5009456","","","0.71073","MoKα","","0.0541","0.0424","","","0.0801","0.0856","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517410","6.1945","0.0019","10.289","0.002","21.907","0.005","90","","90","","90","","1396.2","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Long, Jing; Zhang, Shan-Feng; Wang, Pan-Pan; Zhang, Xue-Mei; Yang, Zhong-Jin; Zhang, Quan; Chen, Yue","Total syntheses of parthenolide and its analogues with macrocyclic stereocontrol.","Journal of medicinal chemistry","2014","57","16","7098","7112","10.1021/jm5009456","","","1.54187","CuKα","","0.0658","0.0618","","","0.1276","0.1322","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517411","12.1699","0.001","12.3165","0.0016","24.075","0.003","90","","90","","90","","3608.6","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H52 O12 -","- C37 H52 O12 -","- C148 H208 O48 -","4","1","","Sarigaputi, Chanin; Sommit, Damrong; Teerawatananond, Thapong; Pudhom, Khanitha","Weakly Anti-inflammatory Limonoids from the Seeds of Xylocarpus rumphii.","Journal of natural products","2014","77","9","2037","2043","10.1021/np5003687","","","0.71073","MoKα","","0.075","0.054","","","0.1545","0.1888","","","","","","0.774","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517412","9.8508","0.0008","26.583","0.003","19.2662","0.0018","90","","98.518","0.002","90","","4989.5","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Br N O5 -","- C27 H26 Br N O5 -","- C216 H208 Br8 N8 O40 -","8","2","","Ma, Guan-Hua; Jiang, Bo; Tu, Xing-Jun; Ning, Yi; Tu, Shu-Jiang; Li, Guigen","Synthesis of Isocoumarins with Different Substituted Patterns via Passerini-Aldol Sequence.","Organic letters","2014","16","17","4504","","10.1021/ol502048e","","","0.71073","MoKα","","0.2024","0.0648","","","0.1069","0.1175","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517413","17.6201","0.0016","6.508","0.0005","17.6402","0.0017","90","","91.731","0.001","90","","2021.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N O5 -","- C21 H20 Br N O5 -","- C84 H80 Br4 N4 O20 -","4","1","","Ma, Guan-Hua; Jiang, Bo; Tu, Xing-Jun; Ning, Yi; Tu, Shu-Jiang; Li, Guigen","Synthesis of Isocoumarins with Different Substituted Patterns via Passerini-Aldol Sequence.","Organic letters","2014","16","17","4504","","10.1021/ol502048e","","","0.71073","MoKα","","0.176","0.0685","","","0.1154","0.1324","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517414","27.1414","0.0005","27.1414","0.0005","7.5825","0.0004","90","","90","","90","","5585.7","0.3","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C27 H18 Cl N5 O2.25 Ru -","- C27 H19 Cl N5 O2.25 Ru -","- C216 H152 Cl8 N40 O18 Ru8 -","8","1","","Wu, Qiong; He, Jiangtu; Mei, Wenjie; Zhang, Zhao; Wu, Xiaohui; Sun, Fenyong","Arene ruthenium(ii) complex, a potent inhibitor against proliferation, migration and invasion of breast cancer cells, reduces stress fibers, focal adhesions and invadopodia.","Metallomics : integrated biometal science","2014","6","12","2204","2212","10.1039/c4mt00158c","","","0.71073","MoKα","","0.0856","0.065","","","0.1963","0.2121","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517415","7.468","0.004","7.906","0.003","8.99","0.004","94.02","0.04","100.02","0.04","104.01","0.04","503.6","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 N6 -","- C24 H26 N6 -","- C24 H26 N6 -","1","0.5","","Gregoliński, Janusz; Slepokura, Katarzyna; Paćkowski, Tomasz; Lisowski, Jerzy","Expansion of a 2 + 2 Macrocycle into a 6 + 6 Macrocycle: Template Effect of Cadmium(II).","Organic letters","2014","16","17","4372","","10.1021/ol501602f","","","0.71073","MoKα","","0.0721","0.0414","","","0.0862","0.0929","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517416","14.657","0.003","14.657","0.003","11.492","0.003","90","","90","","90","","2468.8","1","100","2","100","2","","","","","","","","3","P 42/n","-P 4bc","86","","","","- C54 H58 N12 -","- C54 H58 N12 -","- C108 H116 N24 -","2","","","Gregoliński, Janusz; Slepokura, Katarzyna; Paćkowski, Tomasz; Lisowski, Jerzy","Expansion of a 2 + 2 Macrocycle into a 6 + 6 Macrocycle: Template Effect of Cadmium(II).","Organic letters","2014","16","17","4372","","10.1021/ol501602f","","","0.71073","MoKα","","0.101","0.0545","","","0.1378","0.1531","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517417","12.074","0.003","15.164","0.005","17.95","0.006","114.14","0.03","90.19","0.03","113.39","0.03","2698.2","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H166 Cl12 N18 O26 -","- C72 H122 Cl10 N18 O30 -","- C72 H122 Cl10 N18 O30 -","1","0.5","","Gregoliński, Janusz; Slepokura, Katarzyna; Paćkowski, Tomasz; Lisowski, Jerzy","Expansion of a 2 + 2 Macrocycle into a 6 + 6 Macrocycle: Template Effect of Cadmium(II).","Organic letters","2014","16","17","4372","","10.1021/ol501602f","","","0.71073","MoKα","","0.1469","0.0736","","","0.1767","0.1944","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517418","14.379","0.004","14.999","0.006","15.291","0.007","78.08","0.03","86.71","0.03","61.81","0.03","2841","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H144 Cl12 N20 O12 -","- C76 H120 Cl12 N20 O12.6 -","- C76 H120 Cl12 N20 O12.6 -","1","0.5","","Gregoliński, Janusz; Slepokura, Katarzyna; Paćkowski, Tomasz; Lisowski, Jerzy","Expansion of a 2 + 2 Macrocycle into a 6 + 6 Macrocycle: Template Effect of Cadmium(II).","Organic letters","2014","16","17","4372","","10.1021/ol501602f","","","0.71073","MoKα","","0.1401","0.0946","","","0.2795","0.305","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517419","6.0935","0.0012","8.9206","0.0017","14.327","0.003","90","","100.014","0.002","90","","766.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 Cl N O4 -","- C16 H16 Cl N O4 -","- C32 H32 Cl2 N2 O8 -","2","1","","Liu, Kang; Teng, Huai-Long; Wang, Chun-Jiang","Et3N-Catalyzed Tandem Formal [4 + 3] Annulation/Decarboxylation/Isomerization of Methyl Coumalate with Imine Esters: Access to Functionalized Azepine Derivatives.","Organic letters","2014","16","17","4508","","10.1021/ol5020569","","","0.71073","MoKα","","0.0346","0.0324","","","0.0837","0.0859","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517420","8.7054","0.0003","15.5955","0.0005","38.4153","0.0012","90","","90","","90","","5215.5","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 Br Cl F3 N3 O4 -","- C27 H20 Br Cl F3 N3 O4 -","- C216 H160 Br8 Cl8 F24 N24 O32 -","8","2","","Zhao, Mei-Xin; Bi, Hong-Lei; Jiang, Rong-Hui; Xu, Xu-Wei; Shi, Min","Cinchona Alkaloid Squaramide/AgOAc Cooperatively Catalyzed Diastereo- and Enantioselective Mannich/Cyclization Cascade Reaction of Isocyanoacetates and Cyclic Trifluoromethyl Ketimines.","Organic letters","2014","16","17","4566","","10.1021/ol502123z","","","0.71073","MoKα","","0.0587","0.0391","","","0.0692","0.0759","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517421","6.387","0.0002","16.5721","0.0008","37.2128","0.0014","90","","90","","90","","3938.8","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C184 H168 N8 O24 S8 -","8","1","","Ma, Xueji; Pan, Shanfei; Wang, Hangxiang; Chen, Wanzhi","Rhodium-Catalyzed Transannulation of N-Sulfonyl-1,2,3-triazoles and Epoxides: Regioselective Synthesis of Substituted 3,4-Dihydro-2H-1,4-oxazines.","Organic letters","2014","16","17","4554","","10.1021/ol5021042","","","0.71073","MoKα","","0.0558","0.0404","","","0.0987","0.1097","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517422","16.6894","0.0003","13.1912","0.0002","17.1396","0.0003","90","","107.752","0.001","90","","3593.67","0.11","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N7 -","- C19 H27 N7 -","- C152 H216 N56 -","8","1","","Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles","Chem. Sci.","2014","5","12","4800","","10.1039/C4SC01604A","","","1.54178","CuKα","","0.0817","0.0727","","","0.1959","0.2055","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517423","40.9186","0.0005","12.999","0.0002","19.2466","0.0002","90","","116.184","0.001","90","","9186.8","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H78 F12 N10 O6 P2 Ru -","- C40 H42 F12 N10 P2 Ru -","- C320 H336 F96 N80 P16 Ru8 -","8","1","","Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles","Chem. Sci.","2014","5","12","4800","","10.1039/C4SC01604A","","","1.54178","CuKα","","0.0472","0.0468","","","0.1295","0.1299","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517424","8.5139","0.0002","13.5117","0.0004","21.1951","0.0006","96.631","0.001","94.882","0.001","106.466","0.001","2304.75","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H50 F12 N10 O P2 Ru -","- C44 H50 F12 N10 O P2 Ru -","- C88 H100 F24 N20 O2 P4 Ru2 -","2","1","","Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles","Chem. Sci.","2014","5","12","4800","","10.1039/C4SC01604A","","","1.54178","CuKα","","0.0347","0.0345","","","0.0946","0.095","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517425","8.5505","0.0003","44.204","0.0014","12.3222","0.0004","90","","96.705","0.002","90","","4625.5","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 Br F12 N12 O P2 Ru -","- C41 H45 Br F12 N12 O P2 Ru -","- C164 H180 Br4 F48 N48 O4 P8 Ru4 -","4","1","","Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles","Chem. Sci.","2014","5","12","4800","","10.1039/C4SC01604A","","","1.54178","CuKα","","0.0564","0.0457","","","0.1142","0.1239","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517426","9.6046","0.0004","32.8531","0.0014","17.3497","0.0008","90","","94.903","0.002","90","","5454.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H98 F12 N12 O9 P2 Ru -","- C42 H48 F12 N12 P2 Ru -","- C168 H192 F48 N48 P8 Ru4 -","4","1","","Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles","Chem. Sci.","2014","5","12","4800","","10.1039/C4SC01604A","","","1.54178","CuKα","","0.0407","0.0402","","","0.1124","0.1129","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517427","10.1824","0.0007","12.0243","0.0008","14.6817","0.0015","90","","90","","90","","1797.6","0.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","bis(1,5-Dimethoxy-3-oxapentane)-lithium iodide","bis(1,5-Dimethoxy-3-oxapentane)-lithium iodide","","- C12 H28 I Li O6 -","- C12 H28 I Li O6 -","- C48 H112 I4 Li4 O24 -","4","0.5","","Vanhoutte, Gijs; Brooks, Neil R.; Schaltin, Stijn; Opperdoes, Bastiaan; Van Meervelt, Luc; Locquet, Jean-Pierre; Vereecken, Philippe M.; Fransaer, Jan; Binnemans, Koen","Electrodeposition of Lithium from Lithium-Containing Solvate Ionic Liquids","The Journal of Physical Chemistry C","2014","118","35","20152","","10.1021/jp505479x","","","0.71073","MoKα","","0.0546","0.028","","","0.0531","0.0607","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517428","17.4299","0.0011","17.8218","0.001","28.919","0.0016","90","","90","","90","","8983.2","0.9","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C92 H134 Cl Li2 N2 O11 Yb -","- C92 H134 Cl Li2 N2 O11 Yb -","- C368 H536 Cl4 Li8 N8 O44 Yb4 -","4","1","","Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming","Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand.","Organic letters","2014","16","17","4516","","10.1021/ol5020398","","","0.71075","MoKα","","0.0578","0.05","","","0.0958","0.1018","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517429","17.533","0.0011","17.8098","0.0011","28.931","0.002","90","","90","","90","","9034","1","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C92 H134 Cl Li2 N2 O11 Y -","- C92 H134 Cl Li2 N2 O11 Y -","- C368 H536 Cl4 Li8 N8 O44 Y4 -","4","1","","Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming","Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand.","Organic letters","2014","16","17","4516","","10.1021/ol5020398","","","0.71075","MoKα","","0.1091","0.0844","","","0.1658","0.1789","","","","","","1.114","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517430","17.6443","0.001","17.7644","0.0011","28.917","0.0017","90","","90","","90","","9063.8","0.9","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C92 H134 Cl Li2 N2 O11 Sm -","- C92 H134 Cl Li2 N2 O11 Sm -","- C368 H536 Cl4 Li8 N8 O44 Sm4 -","4","1","","Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming","Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand.","Organic letters","2014","16","17","4516","","10.1021/ol5020398","","","0.71075","MoKα","","0.0796","0.0692","","","0.1372","0.1457","","","","","","1.125","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517431","17.7338","0.0013","17.7079","0.0014","28.905","0.002","90","","90","","90","","9077","1.2","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C92 H134 Cl Li2 N2 Nd O11 -","- C92 H134 Cl Li2 N2 Nd O11 -","- C368 H536 Cl4 Li8 N8 Nd4 O44 -","4","1","","Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming","Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand.","Organic letters","2014","16","17","4516","","10.1021/ol5020398","","","0.71075","MoKα","","0.0697","0.0626","","","0.1325","0.1393","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517432","22.782","0.003","22.782","0.003","7.373","0.0015","90","","90","","90","","3826.7","1.1","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C43 H31 Cl6 N2 -","- C43 H31 Cl6 N2 -","- C172 H124 Cl24 N8 -","4","0.5","","Tominaga, Masahide; Yoneta, Tetsuro; Ohara, Kazuaki; Yamaguchi, Kentaro; Itoh, Tsutomu; Minamoto, Chihiro; Azumaya, Isao","Self-Assembly of a Tetrapodal Adamantane with Carbazole Branches into Hollow Spherical Aggregates in Organic Media.","Organic letters","2014","16","17","4622","","10.1021/ol502116m","","","0.8","Synchrotron","","0.0806","0.0773","","","0.2107","0.2146","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517433","23.0796","0.0014","23.0796","0.0014","7.0154","0.0006","90","","90","","90","","3736.9","0.5","100","2","100","2","","","","","","","","3","I -4","I -4","82","","","","- C50 H42 N4 -","- C50 H42 N4 -","- C200 H168 N16 -","4","0.5","","Tominaga, Masahide; Yoneta, Tetsuro; Ohara, Kazuaki; Yamaguchi, Kentaro; Itoh, Tsutomu; Minamoto, Chihiro; Azumaya, Isao","Self-Assembly of a Tetrapodal Adamantane with Carbazole Branches into Hollow Spherical Aggregates in Organic Media.","Organic letters","2014","16","17","4622","","10.1021/ol502116m","","","0.71073","MoKα","","0.085","0.0702","","","0.1794","0.1864","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517434","10.6706","0.0015","10.6783","0.0016","14.703","0.002","102.874","0.003","99.107","0.003","91.369","0.003","1609.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H45 Br N3 P Pd -","- C35 H45 Br N3 P Pd -","- C70 H90 Br2 N6 P2 Pd2 -","2","1","","Yang, Yang; Niedermann, Katrin; Han, Chong; Buchwald, Stephen L.","Highly Selective Palladium-Catalyzed Cross-Coupling of Secondary Alkylzinc Reagents with Heteroaryl Halides.","Organic letters","2014","16","17","4638","","10.1021/ol502230p","","","0.71073","MoKα","","0.0694","0.0438","","","0.1004","0.1131","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517435","13.2223","0.0003","8.06237","0.00016","16.5867","0.0004","90","","109.428","0.002","90","","1667.51","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","1","","Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing","Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.","Organic letters","2014","16","17","4650","","10.1021/ol502258n","","","1.54184","CuKα","","0.0575","0.0534","","","0.1469","0.1528","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517436","8.4089","0.0008","10.0499","0.0015","12.6368","0.0017","102.268","0.012","103.727","0.01","110.298","0.011","920.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","1","","Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing","Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.","Organic letters","2014","16","17","4650","","10.1021/ol502258n","","","0.71073","MoKα","","0.0862","0.0619","","","0.1671","0.1883","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517437","6.2135","0.0013","9.64","0.002","9.692","0.002","85.789","0.002","73.02","0.003","86.307","0.002","553.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N4 O4 -","- C24 H28 N4 O4 -","- C24 H28 N4 O4 -","1","0.5","","Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing","Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.","Organic letters","2014","16","17","4650","","10.1021/ol502258n","","","0.71073","MoKα","","0.1066","0.0947","","","0.1734","0.1795","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517438","12.1536","0.0004","17.301","0.0006","7.936","0.0002","90","","102.907","0.003","90","","1626.54","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing","Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.","Organic letters","2014","16","17","4650","","10.1021/ol502258n","","","0.71073","MoKα","","0.0753","0.0544","","","0.1244","0.1419","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517439","6.4874","0.001","11.048","0.002","12.397","0.003","69.31","0.02","77.922","0.017","88.901","0.014","811.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C36 H48 N4 O4 -","2","1","","Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing","Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.","Organic letters","2014","16","17","4650","","10.1021/ol502258n","","","0.71","MoKα","","0.0949","0.0586","","","0.1346","0.1648","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517440","10.1115","0.0002","9.668","0.0002","10.4467","0.0007","90","","100.429","0.007","90","","1004.38","0.08","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Liu, Gang; Mei, Guangjian; Chen, Runwen; Yuan, Haina; Yang, Zhen; Li, Chuang-Chuang","Total Synthesis of Aplykurodinone-1.","Organic letters","2014","16","17","4380","","10.1021/ol502220r","","","1.54178","CuKα","","0.0538","0.0461","","","0.1159","0.122","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517441","7.8138","0.0003","14.5845","0.0005","19.1054","0.0007","68.745","0.003","87.157","0.003","75.844","0.003","1965.7","0.13","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 Ir N2 -","- C23 H29 Ir N2 -","- C92 H116 Ir4 N8 -","4","2","","Forberg, Daniel; Obenauf, Johannes; Friedrich, Martin; Hühne, Sven-Martin; Mader, Werner; Motz, Günter; Kempe, Rhett","The synthesis of pyrroles via acceptorless dehydrogenative condensation of secondary alcohols and 1,2-amino alcohols mediated by a robust and reusable catalyst based on nanometer-sized iridium particles","Catal. Sci. Technol.","2014","4","12","4188","","10.1039/C4CY01018C","","","0.71073","MoKα","","0.0941","0.0627","","","0.145","0.1596","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517442","12.4607","0.0005","12.792","0.0005","14.1587","0.0006","67.97","0.001","85.66","0.001","68.671","0.001","1943.96","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H85 Cl3 N4 O2 Pt2 -","- C99 H85 Cl3 N4 O2 Pt2 -","- C99 H85 Cl3 N4 O2 Pt2 -","1","0.5","","Cheng, Gang; Kui, Steven C. F.; Ang, Wai-Hung; Ko, Man-Ying; Chow, Pui-Keong; Kwong, Chun-Lam; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Low, Kam-Hung; Su, Shi-Jian; Che, Chi-Ming","Structurally robust phosphorescent [Pt(O^N^C^N)] emitters for high performance organic light-emitting devices with power efficiency up to 126 lm W−1and external quantum efficiency over 20%","Chem. Sci.","2014","5","12","4819","","10.1039/C4SC01105H","","","1.54178","CuKα","","0.0444","0.0439","","","0.1155","0.1182","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517443","16.083","0.005","17.739","0.005","18.562","0.005","115.198","0.005","105.294","0.005","103.514","0.005","4243","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H120 B Dy2 N6 O3 -","- C100 H120 B Dy2 N6 O3 -","- C200 H240 B2 Dy4 N12 O6 -","2","1","","Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R.","Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine","Chem. Sci.","2014","5","12","4701","","10.1039/C4SC02154A","","","0.71069","MoKα","","0.0389","0.0303","","","0.0688","0.0726","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517444","16.095","0.0007","17.7564","0.0009","18.5863","0.0009","115.256","0.002","105.236","0.002","103.493","0.002","4256.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H120 B N6 O3 Tb2 -","- C100 H120 B N6 O3 Tb2 -","- C200 H240 B2 N12 O6 Tb4 -","2","1","","Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R.","Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine","Chem. Sci.","2014","5","12","4701","","10.1039/C4SC02154A","","","0.71073","MoKα","","0.0361","0.0327","","","0.0727","0.0738","","","","","","1.221","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517445","16.4717","0.0006","17.8945","0.0007","18.2112","0.0007","115.277","0.002","98.616","0.002","102.884","0.002","4545.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H128 B Gd2 N6 O4 -","- C104 H128 B Gd2 N6 O4 -","- C208 H256 B2 Gd4 N12 O8 -","2","1","","Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R.","Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine","Chem. Sci.","2014","5","12","4701","","10.1039/C4SC02154A","","","0.71073","MoKα","","0.0757","0.0423","","","0.0745","0.085","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517446","22.168","0.003","25.23","0.003","20.706","0.002","90","","111.311","0.002","90","","10789","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C110 H160 Dy2 K N8 O13 -","- C110 H160 Dy2 K N8 O13 -","- C440 H640 Dy8 K4 N32 O52 -","4","1","","Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R.","Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine","Chem. Sci.","2014","5","12","4701","","10.1039/C4SC02154A","","","0.7749","synchrotron","","0.0753","0.0511","","","0.119","0.1351","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517447","43.6636","0.001","43.3688","0.0007","9.2311","0.0002","90","","90","","90","","17480.4","0.6","182","2","182","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C46 H32 F12 N6 O2 P2 Ru -","- C46 H32 F12 N6 O2 P2 Ru -","- C736 H512 F192 N96 O32 P32 Ru16 -","16","1","","Frei, Angelo; Rubbiani, Riccardo; Tubafard, Solmaz; Blacque, Olivier; Anstaett, Philipp; Felgenträger, Ariane; Maisch, Tim; Spiccia, Leone; Gasser, Gilles","Synthesis, Characterization, and Biological Evaluation of New Ru(II) Polypyridyl Photosensitizers for Photodynamic Therapy.","Journal of medicinal chemistry","2014","57","17","7280","7292","10.1021/jm500566f","","","1.5418","CuKα","","0.0802","0.0782","","","0.2093","0.211","","","","","","1.125","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517448","5.4204","0.0007","12.4685","0.0015","17.572","0.002","90","","90.674","0.002","90","","1187.5","0.2","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O -","- C16 H18 O -","- C64 H72 O4 -","4","1","","Usui, Kazuteru; Tanoue, Kensuke; Yamamoto, Kosuke; Shimizu, Takashi; Suemune, Hiroshi","Synthesis of Substituted Azulenes via Pt(II)-Catalyzed Ring-Expanding Cycloisomerization.","Organic letters","2014","16","17","4662","","10.1021/ol502270q","","","0.71069","MoKα","","","0.0371","","","","0.1058","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517449","11.684","0.003","8.087","0.002","12.813","0.004","90","","102.115","0.005","90","","1183.7","0.6","299","","299","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.0531","","","","0.1575","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517450","8.2344","0.0015","9.9972","0.0017","12.32","0.003","89.301","0.01","88.435","0.009","76.903","0.007","987.4","0.3","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O5 -","- C22 H20 N2 O5 -","- C44 H40 N4 O10 -","2","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.0526","","","","0.1284","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517451","27.829","0.003","27.829","0.003","10.1784","0.0012","90","","90","","120","","6826.6","1.3","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H15.33 N O4.17 S -","- C16 H15.3333 N O4.16667 S -","- C288 H275.999 N18 O75 S18 -","18","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","0.1002","0.0698","","","0.1674","0.1882","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517452","6.596","0.001","25.254","0.004","17.052","0.003","90","","91.13","0.009","90","","2839.9","0.8","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C120 H120 O48 -","12","6","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.0606","","","","0.1843","","","","","","0.933","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517453","8.521","0.003","25.161","0.007","7.998","0.003","90","","112.16","0.005","90","","1588.1","0.9","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C72 H64 N8 O16 -","4","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.0536","","","","0.1608","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517454","8.6491","0.0006","9.9027","0.0008","11.698","0.0005","69.219","0.015","71.332","0.015","73.696","0.017","871.51","0.15","299","","299","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C36 H34 N2 O10 S2 -","2","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.0677","","","","0.221","","","","","","0.923","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517455","12.135","0.004","55.75","0.016","11.738","0.003","90","","90","","90","","7941","4","299","","299","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C336 H368 N16 O80 S16 -","16","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.067","","","","0.1864","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517456","9.2395","0.0016","8.4743","0.0013","19.634","0.003","90","","99.069","0.004","90","","1518.1","0.4","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.058","","","","0.1849","","","","","","0.955","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517457","6.954","0.003","8.706","0.003","10.605","0.004","86.06","0.013","86.801","0.014","83.376","0.012","635.5","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.0451","","","","0.1369","","","","","","0.915","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517458","8.9943","0.0002","12.2511","0.0002","22.3616","0.0016","90","","90","","90","","2464.03","0.19","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N2 O -","- C32 H32 N2 O -","- C128 H128 N8 O4 -","4","1","","Hopkins, B. A.; Wolfe, J. P.","Enantioselective Synthesis of Tetrahydroquinolines, Tetrahydroquinoxalines, and Tetrahydroisoquinolines via Pd-Catalyzed Alkene Carboamination Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","12","4840","4844","10.1039/C4SC01327A","","","1.54178","CuKα","","0.025","0.0248","","","0.0653","0.0654","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517460","9.47446","0.00017","10.43989","0.00019","12.5041","0.0003","86.167","0.0009","87.943","0.0008","74.807","0.0008","1190.69","0.04","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 N O6 S2 -","- C25 H25 N O6 S2 -","- C50 H50 N2 O12 S4 -","2","1","","Kiyokawa, Kensuke; Yahata, Shunsuke; Kojima, Takumi; Minakata, Satoshi","Hypervalent Iodine(III)-Mediated Oxidative Decarboxylation of β,γ-Unsaturated Carboxylic Acids.","Organic letters","2014","16","17","4646","","10.1021/ol5022433","","","1.54187","CuKα","","","0.0411","","","","0.1246","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517461","7.0361","0.0007","14.3568","0.0014","15.7212","0.0016","90","","90","","90","","1588.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G","Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.","Organic letters","2014","16","17","4543","","10.1021/ol502305j","","","0.71073","MoKα","","0.0315","0.0293","","","0.0779","0.0801","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517462","9.1869","0.0003","9.663","0.0003","30.231","0.0008","90","","90","","90","","2683.7","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O12 -","- C30 H32 O12 -","- C120 H128 O48 -","4","1","","Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G","Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.","Organic letters","2014","16","17","4543","","10.1021/ol502305j","","","1.54178","CuKα","","0.0251","0.0249","","","0.0647","0.0648","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517463","7.5952","0.0008","13.8502","0.0015","19.741","0.002","90","","90","","90","","2076.7","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O9 -","- C21 H24 O9 -","- C84 H96 O36 -","4","1","","Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G","Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.","Organic letters","2014","16","17","4543","","10.1021/ol502305j","","","0.71073","MoKα","","0.0411","0.0359","","","0.0894","0.0932","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517464","8.3895","0.0002","14.3785","0.0003","19.2943","0.0004","90","","90","","90","","2327.44","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O9 -","- C24 H26 O9 -","- C96 H104 O36 -","4","1","","Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G","Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.","Organic letters","2014","16","17","4543","","10.1021/ol502305j","","","1.54178","CuKα","","0.0242","0.0235","","","0.0588","0.0594","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517465","26.0349","0.0005","26.0349","","6.85076","0.00018","90","","90","","120","","4021.44","0.13","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.35 H Fe O3.7 -","- C4.35 H Fe O3.7 -","- C78.3 H18 Fe18 O66.6 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.4388","neutron","","","","","","","","0.06385","","1.78","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517466","25.8977","0.0009","25.8977","","6.846","0.0004","90","","90","","120","","3976.4","0.3","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.62 H Co O4.25 -","- C4.624 H Co O4.248 -","- C83.232 H18 Co18 O76.464 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.06669","","0.95","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517467","25.8582","0.0007","25.8582","","6.26149","0.0002","90","","90","","120","","3625.81","0.15","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.34 H Cu O3.68 -","- C4.33933 H Cu O3.67867 -","- C78.108 H18 Cu18 O66.216 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0775","","","","","","","","","0.02721","","1.13","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517468","26.3262","0.0016","26.3262","","7.044","0.0005","90","","90","","120","","4227.9","0.4","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.54 H Mn O4.07 -","- C4.535 H Mn O4.07 -","- C81.63 H18 Mn18 O73.26 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.05388","","0.98","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517469","25.914","0.0017","25.914","","6.7986","0.0006","90","","90","","120","","3953.8","0.4","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.53 H O4.07 Zn -","- C4.535 H O4.07 Zn -","- C81.63 H18 O73.26 Zn18 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.0431","","1.04","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517470","25.9067","0.0009","25.9067","","6.8548","0.0005","90","","90","","120","","3984.3","0.3","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Co O3 -","- C4 H Co O3 -","- C72 H18 Co18 O54 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.11323","","1.01","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517471","25.8733","0.0007","25.8733","","6.25768","0.0002","90","","90","","120","","3627.84","0.15","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Cu O3 -","- C4 H Cu O3 -","- C72 H18 Cu18 O54 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0775","","","","","","","","","0.03035","","1.09","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517472","26.0983","0.0004","26.0983","","6.85119","0.00014","90","","90","","120","","4041.3","0.1","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Fe O3 -","- C4 H Fe O3 -","- C72 H18 Fe18 O54 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.4406","neutron","","","","","","","","0.0619","","1.68","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517473","26.3331","0.0017","26.3331","","7.0477","0.0005","90","","90","","120","","4232.4","0.4","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H Mn O3 -","- C4 H Mn O3 -","- C72 H18 Mn18 O54 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.04952","","0.95","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517474","25.9292","0.0024","25.9292","","6.7962","0.0009","90","","90","","120","","3957.1","0.6","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H O3 Zn -","- C4 H O3 Zn -","- C72 H18 O54 Zn18 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.0452","","0.98","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517475","25.8728","0.0008","25.8728","","6.87004","0.0003","90","","90","","120","","3982.7","0.2","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.82 H Mg O4.65 -","- C4.825 H Mg O4.65 -","- C86.85 H18 Mg18 O83.7 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.03757","","1.14","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517476","26.001","0.0005","26.001","","6.86071","0.0002","90","","90","","120","","4016.8","0.14","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.26 H Fe O5.53 -","- C5.263 H Fe O5.526 -","- C94.734 H18 Fe18 O99.468 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.4388","neutron","","","","","","","","0.08444","","1.36","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517477","25.8735","0.0012","25.8735","","6.8486","0.0004","90","","90","","120","","3970.5","0.3","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.5 H Co O6.01 -","- C5.503 H Co O6.006 -","- C99.054 H18 Co18 O108.108 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.09834","","0.99","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517478","25.8504","0.002","25.8504","","6.8072","0.0008","90","","90","","120","","3939.4","0.6","10","","10","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.29 H O5.57 Zn -","- C5.285 H O5.57 Zn -","- C95.13 H18 O100.26 Zn18 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.05515","","1.12","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517479","25.89776","0.00033","25.89776","","6.27846","0.0001","90","","90","","120","","3646.77","0.07","150","","150","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C5.14 Cu O5.27 -","- C5.13517 Cu O5.27033 -","- C92.433 Cu18 O94.866 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","x-ray","0.72959","","","","","","","","","0.05804","","1.09","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517480","25.994","0.007","25.994","0.007","6.8127","0.0018","90","","90","","120","","3986.5","1.8","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C10.94 H2 Co2 O11.88 -","- C10.94 H2 Co2 O11.88 -","- C98.46 H18 Co18 O106.92 -","9","0.5","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","","","0.7749","synchrotron","","0.1284","0.0977","","","0.2437","0.2628","","","","","","1.13","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1517481","26.0818","0.0013","26.0818","","6.8783","0.0006","90","","90","","120","","4052.2","0.4","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.77 H Fe O4.54 -","- C4.769 H Fe O4.538 -","- C85.842 H18 Fe18 O81.684 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.7948","neutron","","","","","","","","0.08379","","1.56","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517482","25.887","0.0016","25.887","","6.821","0.0006","90","","90","","120","","3958.6","0.4","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4.62 H O4.25 Zn -","- C4.623 H O4.246 Zn -","- C83.214 H18 O76.428 Zn18 -","18","1","","Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M.","Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)","Chem. Sci.","2014","5","12","4569","","10.1039/C4SC02064B","powder diffraction","neutron","2.0785","neutron","","","","","","","","0.05421","","1.08","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517483","7.9804","0.0007","9.89","0.0009","12.2837","0.0011","77.07","0.005","84.753","0.005","87.947","0.005","940.85","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N2 O5 -","- C20 H26 N2 O5 -","- C40 H52 N4 O10 -","2","1","","Suneel Kumar, Chepuri V.; Ramana, Chepuri V.","Tuning the Regioselectivity of Gold-Catalyzed Internal Nitroalkyne Redox: A Cycloisomerization and [3 + 2]-Cycloaddition Cascade for the Construction of spiro-Pseudoindoxyl Skeleton.","Organic letters","2014","16","18","4766","4769","10.1021/ol502213w","","","0.71073","MoKα","","0.0961","0.0938","","","0.2686","0.2705","","","","","","1.157","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517484","26.4774","0.0018","8.7506","0.0006","17.7496","0.0012","90","","123.531","0.003","90","","3428.1","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 N2 O5 -","- C18 H22 N2 O4 -","- C144 H176 N16 O32 -","8","1","","Suneel Kumar, Chepuri V.; Ramana, Chepuri V.","Tuning the Regioselectivity of Gold-Catalyzed Internal Nitroalkyne Redox: A Cycloisomerization and [3 + 2]-Cycloaddition Cascade for the Construction of spiro-Pseudoindoxyl Skeleton.","Organic letters","2014","16","18","4766","4769","10.1021/ol502213w","","","0.71073","MoKα","","0.0631","0.054","","","0.1127","0.1176","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517485","5.5715","0.0011","8.068","0.0016","20.262","0.004","90","","92.513","0.002","90","","909.9","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2R*,3aR*,4'S*,5'S*,6aS*,E)-4'-hydroxy-5'-((R*)-3-hydroxybutyl)- 4-((R*)-5-methyldihydrofuran-2(3H)-ylidene)hexahydro- 3'H-spiro[cyclopenta[b]furan-2,2'-furan]-5(3H)-one","","- C19 H28 O6 -","- C19 H28 O6 -","- C38 H56 O12 -","2","1","","Grudniewska, Aleksandra; Hayashi, Sayaka; Shimizu, Mina; Kato, Masayuki; Suenaga, Midori; Imagawa, Hiroshi; Ito, Takuya; Asakawa, Yoshinori; Ban, Sayaka; Kumada, Toshio; Hashimoto, Toshihiro; Umeyama, Akemi","Opaliferin, a New Polyketide from Cultures of Entomopathogenic Fungus Cordyceps sp. NBRC 106954.","Organic letters","2014","16","18","4695","4697","10.1021/ol502216j","","","0.71073","MoKα","","0.0305","0.0302","","","0.0857","0.0862","","","","","","1.263","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517486","15.188","0.005","5.728","0.002","18.462","0.007","90","","106.78","0.005","90","","1537.7","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-4-((2R,3aR,4'S,5'S,6aS,E)-4'-((4-bromobenzoyl)oxy)-4- ((R)-5-methyldihydrofuran-2(3H)-ylidene)-5-oxooctahydro- 3'H-spiro[cyclopenta[b]furan-2,2'-furan]-5'-yl)butan-2-yl 4-bromobenzoate","","- C33 H34 Br2 O8 -","- C33 H34 Br2 O8 -","- C66 H68 Br4 O16 -","2","1","","Grudniewska, Aleksandra; Hayashi, Sayaka; Shimizu, Mina; Kato, Masayuki; Suenaga, Midori; Imagawa, Hiroshi; Ito, Takuya; Asakawa, Yoshinori; Ban, Sayaka; Kumada, Toshio; Hashimoto, Toshihiro; Umeyama, Akemi","Opaliferin, a New Polyketide from Cultures of Entomopathogenic Fungus Cordyceps sp. NBRC 106954.","Organic letters","2014","16","18","4695","4697","10.1021/ol502216j","","","0.71073","MoKα","","0.0622","0.0486","","","0.1169","0.1213","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517487","6.9183","0.0008","9.7324","0.0011","10.5986","0.0012","68.2765","0.0013","79.1821","0.0015","79.3466","0.0015","645.93","0.13","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C28 H34 N2 O8 -","2","1","","Levinson, Adam M.","Total Synthesis of Aspeverin via an Iodine(III)-Mediated Oxidative Cyclization.","Organic letters","2014","16","18","4904","4907","10.1021/ol5024163","","","0.71073","MoKα","","0.0398","0.0375","","","0.107","0.1104","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517488","14.8053","0.0012","25.638","0.002","6.416","0.0008","90","","90","","90","","2435.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H29 N3 O5 -","- C26 H29 N3 O5 -","- C104 H116 N12 O20 -","4","1","","Zhang, Peng; Mándi, Attila; Li, Xiao-Ming; Du, Feng-Yu; Wang, Jia-Ning; Li, Xin; Kurtán, Tibor; Wang, Bin-Gui","Varioxepine A, a 3H-Oxepine-Containing Alkaloid with a New Oxa-Cage from the Marine Algal-Derived Endophytic Fungus Paecilomyces variotii.","Organic letters","2014","16","18","4834","4837","10.1021/ol502329k","","","1.54178","CuKα","","0.2136","0.0802","","","0.0954","0.1554","","","","","","0.765","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517489","7.2675","0.0004","12.9319","0.0006","9.6419","0.0005","90","","90","","90","","906.17","0.08","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","2,3,3a,4-Tetrahydrofuro[3,2-c]isoquinolin-5(9bH)-one","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Webb, Nicola J.; Marsden, Stephen P.; Raw, Steven A.","Rhodium(III)-Catalyzed C-H Activation/Annulation with Vinyl Esters as an Acetylene Equivalent.","Organic letters","2014","16","18","4718","4721","10.1021/ol502095z","","","0.7107","MoKα","","0.0661","0.0529","","","0.1146","0.1307","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517490","10.1273","0.0005","12.4095","0.0005","24.1328","0.0009","90","","91.343","0.004","90","","3032","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tert-Butyl 5-oxo-3a,4,5,9b-tetrahydro-1H-pyrrolo[2,3-c]isoquinoline-3(2H)-carboxylate","","- C16 H20.5 N2 O3.25 -","- C16 H20.5 N2 O3.25 -","- C128 H164 N16 O26 -","8","2","","Webb, Nicola J.; Marsden, Stephen P.; Raw, Steven A.","Rhodium(III)-Catalyzed C-H Activation/Annulation with Vinyl Esters as an Acetylene Equivalent.","Organic letters","2014","16","18","4718","4721","10.1021/ol502095z","","","0.7107","MoKα","","0.0594","0.0461","","","0.1063","0.1149","","","","","","1.016","","","","has coordinates","217633","2020-10-21","18:00:00",""
"1517491","12.6187","0.0002","15.3717","0.0003","15.8322","0.0003","90","","90","","90","","3070.99","0.1","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H27 N5 O2 -","- C13 H27 N5 O2 -","- C104 H216 N40 O16 -","8","1","","Polenz, I.; Laue, A.; Uhrin, T.; Rüffer, T.; Lang, H.; Schmidt, F. G.; Spange, S.","Thermally cleavable imine base/isocyanate adducts and oligomers suitable as initiators for radical homo- and copolymerization","Polym. Chem.","2014","5","23","6678","","10.1039/C4PY01002G","","","0.71073","MoKα","","0.0545","0.043","","","0.1341","0.1382","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517492","8.1256","0.0012","8.735","0.0011","11.1764","0.0016","101.997","0.012","106.888","0.013","90.243","0.011","740.71","0.19","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H26 N4 O2 -","- C15 H26 N4 O2 -","- C30 H52 N8 O4 -","2","1","","Polenz, I.; Laue, A.; Uhrin, T.; Rüffer, T.; Lang, H.; Schmidt, F. G.; Spange, S.","Thermally cleavable imine base/isocyanate adducts and oligomers suitable as initiators for radical homo- and copolymerization","Polym. Chem.","2014","5","23","6678","","10.1039/C4PY01002G","","","1.54184","CuKα","","0.0705","0.0519","","","0.1337","0.1447","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517493","5.6521","0.0001","23.6399","0.0004","11.7535","0.0002","90","","92.736","0.002","90","","1568.65","0.05","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","","Bao, Hongli; Bayeh, Liela; Tambar, Uttam K.","Regioselective and Diastereoselective Aminoarylation of 1,3-Dienes.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","12","4863","4867","10.1039/C4SC01152J","","","1.54184","CuKα","","0.0572","0.0526","","","0.1409","0.1469","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517494","13.8166","0.0007","21.7847","0.0012","20.1414","0.0011","90","","103.312","0.001","90","","5899.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47.5 H40 N4.5 O13.75 Zn2 -","- C47.5 H40 N4.5 O13.75 Zn2 -","- C190 H160 N18 O55 Zn8 -","4","1","","Hu, Zhichao; Tan, Kui; Lustig, William P.; Wang, Hao; Zhao, Yonggang; Zheng, Chong; Banerjee, Debasis; Emge, Thomas J.; Chabal, Yves J.; Li, Jing","Effective sensing of RDX via instant and selective detection of ketone vapors","Chem. Sci.","2014","5","12","4873","","10.1039/C4SC02157F","","","0.71073","MoKα","","0.1238","0.0822","","","0.2006","0.2197","","","","","","1.017","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517495","33.559","0.007","22.171","0.004","19.706","0.004","90","","124.022","0.003","90","","12152","4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 N2 O8 Zn2 -","- C40 H24 N2 O8 Zn2 -","- C320 H192 N16 O64 Zn16 -","8","1","","Hu, Zhichao; Tan, Kui; Lustig, William P.; Wang, Hao; Zhao, Yonggang; Zheng, Chong; Banerjee, Debasis; Emge, Thomas J.; Chabal, Yves J.; Li, Jing","Effective sensing of RDX via instant and selective detection of ketone vapors","Chem. Sci.","2014","5","12","4873","","10.1039/C4SC02157F","","","0.71073","MoKα","","0.096","0.0693","","","0.2322","0.2565","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517496","6.4681","0.0015","6.7071","0.0014","11.012","0.002","91.016","0.017","90.85","0.02","115.238","0.013","431.92","0.16","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H15 Cl -","- C10 H15 Cl -","- C20 H30 Cl2 -","2","1","","Negrier, Philippe; Barrio, María; Tamarit, Josep Ll; Mondieig, Denise","Polymorphism in 2-x-adamantane derivatives (x = cl, br).","The journal of physical chemistry. B","2014","118","32","9595","9603","10.1021/jp505280d","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517497","6.5912","0.0007","8.2254","0.0009","16.8717","0.0015","90","","90","","90","","914.7","0.16","260","","260","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Br -","- C10 H15 Br -","- C40 H60 Br4 -","4","1","","Negrier, Philippe; Barrio, María; Tamarit, Josep Ll; Mondieig, Denise","Polymorphism in 2-x-adamantane derivatives (x = cl, br).","The journal of physical chemistry. B","2014","118","32","9595","9603","10.1021/jp505280d","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517498","25.474","0.005","6.6142","0.0008","11.9851","0.0017","90","","118.211","0.014","90","","1779.5","0.5","230","","230","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H15 Cl -","- C10 H15 Cl -","- C80 H120 Cl8 -","8","1","","Negrier, Philippe; Barrio, María; Tamarit, Josep Ll; Mondieig, Denise","Polymorphism in 2-x-adamantane derivatives (x = cl, br).","The journal of physical chemistry. B","2014","118","32","9595","9603","10.1021/jp505280d","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517499","8.637","0.0003","9.6961","0.0004","18.1885","0.0008","90","","90","","90","","1523.2","0.11","143","0.1","143","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O3 -","- C17 H14 Br N O3 -","- C68 H56 Br4 N4 O12 -","4","1","","Kuang, Yulong; Lu, Yan; Tang, Yu; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Asymmetric Synthesis of Spiro-epoxyoxindoles by the Catalytic Darzens Reaction of Isatins with Phenacyl Bromides.","Organic letters","2014","16","16","4244","4247","10.1021/ol501941n","","","0.71073","MoKα","","0.0675","0.0543","","","0.1177","0.1247","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517500","7.1926","0.0004","8.6657","0.0003","12.0477","0.0005","90","","97.974","0.005","90","","743.66","0.06","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H12 Br N O3 -","- C17 H12 Br N O3 -","- C34 H24 Br2 N2 O6 -","2","1","","Kuang, Yulong; Lu, Yan; Tang, Yu; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Asymmetric Synthesis of Spiro-epoxyoxindoles by the Catalytic Darzens Reaction of Isatins with Phenacyl Bromides.","Organic letters","2014","16","16","4244","4247","10.1021/ol501941n","","","0.71073","MoKα","","0.058","0.0419","","","0.0724","0.0806","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517501","26.96214","0.00019","12.68483","0.0001","21.88641","0.00018","90.4219","0.0006","104.544","0.0004","89.797","0.0004","7245.32","0.1","100","2","100","2","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C19 H24 Cl N O -","- C19 H24 Cl N O -","- C304 H384 Cl16 N16 O16 -","16","","","Lang, Simon B.; Locascio, Theresa M.; Tunge, Jon A.","Activation of alcohols with carbon dioxide: intermolecular allylation of weakly acidic pronucleophiles.","Organic letters","2014","16","16","4308","4311","10.1021/ol502023d","","","1.54178","CuKα","","0.0862","0.0776","","","0.2045","0.213","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517502","15.633","0.004","11.937","0.003","15.622","0.005","90","","117.347","0.004","90","","2589.4","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O5 S -","- C26 H28 N2 O5 S -","- C104 H112 N8 O20 S4 -","4","1","","Yuan, Yini; Bai, Lu; Nan, Jiang; Liu, Jingjing; Luan, Xinjun","Regiospecific Ficini [2 + 2] Cycloaddition of Ynamides with Cyclic Isoimidium Salts under Catalyst-Free Conditions.","Organic letters","2014","16","16","4316","4319","10.1021/ol5020587","","","0.71073","MoKα","","0.1143","0.066","","","0.1904","0.2416","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517503","11.193","0.0018","12.098","0.002","12.443","0.002","114.492","0.003","94.169","0.003","98.744","0.003","1498.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N2 O5 S -","- C31 H34 N2 O5 S -","- C62 H68 N4 O10 S2 -","2","1","","Yuan, Yini; Bai, Lu; Nan, Jiang; Liu, Jingjing; Luan, Xinjun","Regiospecific Ficini [2 + 2] Cycloaddition of Ynamides with Cyclic Isoimidium Salts under Catalyst-Free Conditions.","Organic letters","2014","16","16","4316","4319","10.1021/ol5020587","","","0.71073","MoKα","","0.1428","0.084","","","0.2387","0.3342","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517504","7.359","0.003","12.959","0.003","19.109","0.005","90","","90","","90","","1822.3","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","","Li, Yong; Liu, Yun-Bao; Liu, Yang-Lan; Wang, Chen; Wu, Lian-Qiu; Li, Li; Ma, Shuang-Gang; Qu, Jing; Yu, Shi-Shan","Mollanol A, a Diterpenoid with a New C-Nor-D-homograyanane Skeleton from the Fruits of Rhododendron molle.","Organic letters","2014","16","16","4320","4323","10.1021/ol5020653","","","1.54178","CuKα","","0.1277","0.065","","","0.1366","0.195","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517505","6.8656","0.0002","15.7655","0.0005","20.081","0.002","90","","90","","90","","2173.6","0.2","99.8","0.2","99.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H38 O9 -","- C20 H38 O9 -","- C80 H152 O36 -","4","1","","Li, Yong; Liu, Yun-Bao; Liu, Yang-Lan; Wang, Chen; Wu, Lian-Qiu; Li, Li; Ma, Shuang-Gang; Qu, Jing; Yu, Shi-Shan","Mollanol A, a Diterpenoid with a New C-Nor-D-homograyanane Skeleton from the Fruits of Rhododendron molle.","Organic letters","2014","16","16","4320","4323","10.1021/ol5020653","","","1.5418","CuKα","","0.039","0.0382","","","0.1019","0.1028","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517506","7.5547","0.0002","13.2602","0.0003","9.458","0.0002","90","","91.7472","0.0014","90","","947.03","0.04","200","","200","","","","","","","","from U of Wollongong","5","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O4 S2 -","- C18 H20 N2 O4 S2 -","- C36 H40 N4 O8 S4 -","2","1","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0333","0.0297","","0.0767","0.0747","0.0767","","","","","","0.9999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517507","7.5629","0.0002","23.846","0.0005","7.9703","0.0001","90","","92.1068","0.0012","90","","1436.43","0.05","200","","200","","","","","","","","from U of Wollongong","5","P 1 21 1","P 2yb","4","","","","- C32 H32 N2 O4 S2 -","- C32 H32 N2 O4 S2 -","- C64 H64 N4 O8 S4 -","2","1","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0549","0.0383","","0.0843","0.0779","0.0843","","","","","","0.977","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517508","24.6086","0.0007","7.9486","0.0001","15.1824","0.0004","90","","127.722","0.001","90","","2349.02","0.1","200","","200","","","","","","","","from U of Wollongong","5","C 1 2 1","C 2y","5","","","","- C24 H28 N2 O4 S2 -","- C24 H28 N2 O4 S2 -","- C96 H112 N8 O16 S8 -","4","1","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0414","0.0377","","0.0991","0.096","0.0991","","","","","","0.9907","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517509","7.5263","0.0001","18.5552","0.0003","18.2559","0.0003","90","","101.391","0.001","90","","2499.25","0.07","200","","200","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C24 H25 Br N2 O4 S2 -","- C24 H25 Br N2 O4 S2 -","- C96 H100 Br4 N8 O16 S8 -","4","2","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0621","0.0391","","0.0799","0.0723","0.0799","","","","","","0.974","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517510","14.4613","0.0007","11.6161","0.0004","15.1339","0.0008","90","","106.069","0.0017","90","","2442.9","0.2","200","","200","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C24 H25 Br N2 O4 S2 -","- C24 H25 Br N2 O4 S2 -","- C96 H100 Br4 N8 O16 S8 -","4","2","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0766","0.0542","","0.1313","0.1183","0.1313","","","","","","0.9888","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517511","10.3346","0.0001","10.9278","0.0002","18.3511","0.0004","90","","90","","90","","2072.47","0.06","200","","200","","","","","","","","from U of Wollongong","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 S2 -","- C20 H24 N2 O4 S2 -","- C80 H96 N8 O16 S8 -","4","1","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0389","0.0339","","0.0867","0.0837","0.0867","","","","","","0.9978","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517512","14.105","0.0011","24.9328","0.0018","25.654","0.002","90.9","0.002","102.396","0.002","104.559","0.002","8505.5","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H32 O5 Si -","- C20 H32 O5 Si -","- C320 H512 O80 Si16 -","16","8","","Preindl, Johannes; Leitner, Christian; Baldauf, Simon; Mulzer, Johann","A short access to the skeleton of elisabethin a and formal syntheses of elisapterosin B and colombiasin a.","Organic letters","2014","16","16","4276","4279","10.1021/ol501998y","","","0.71073","MoKα","","0.1249","0.0593","","","0.1095","0.1333","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517513","6.2172","0.0002","16.4455","0.0005","7.0797","0.0002","90","","102.836","0.001","90","","705.77","0.04","123","","123","","","","","","","","see text","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H11 F6 N4 P -","- C13 H11 F6 N4 P -","- C26 H22 F12 N8 P2 -","2","0.5","","Markovits, Iulius I. E.; Anthofer, Michael H.; Kolding, Helene; Cokoja, Mirza; Pöthig, Alexander; Raba, Andreas; Herrmann, Wolfgang A.; Fehrmann, Rasmus; Kühn, Fritz E.","Efficient epoxidation of propene using molecular catalysts","Catal. Sci. Technol.","2014","4","11","3845","","10.1039/C4CY01066C","","x-ray","0.71073","MoKα","","0.0282","0.0279","","","0.0681","0.0683","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517519","11.3613","0.0003","11.8938","0.0003","14.2579","0.0003","90.003","0.002","98.289","0.002","101.17","0.002","1869.64","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H22 Cl4 F6 N6 Pt2 S2 -","- C37 H22 Cl4 F6 N6 Pt2 S2 -","- C74 H44 Cl8 F12 N12 Pt4 S4 -","2","1","","Sicilia, Violeta; Borja, Pilar; Martín, Antonio","Half-Lantern Pt(II) and Pt(III) Complexes. New Cyclometalated Platinum Derivatives","Inorganics","2014","2","3","508","","10.3390/inorganics2030508","","","0.71073","MoKα","","0.025","0.0207","","","0.0446","0.0465","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517520","11.4798","0.0002","11.8668","0.0002","14.4711","0.0003","88.942","0.002","81.111","0.002","78.41","0.002","1907.82","0.06","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H22 Br2 Cl2 F6 N6 Pt2 S2 -","- C37 H22 Br2 Cl2 F6 N6 Pt2 S2 -","- C74 H44 Br4 Cl4 F12 N12 Pt4 S4 -","2","1","","Sicilia, Violeta; Borja, Pilar; Martín, Antonio","Half-Lantern Pt(II) and Pt(III) Complexes. New Cyclometalated Platinum Derivatives","Inorganics","2014","2","3","508","","10.3390/inorganics2030508","","","0.71073","MoKα","","0.0277","0.0232","","","0.0516","0.0534","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517549","4.7073","0.0002","28.2422","0.001","8.1072","0.0003","90","","105.483","0.001","90","","1038.69","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N4 -","- C26 H28 N4 -","- C52 H56 N8 -","2","0.5","","Tang, Ruizhi; Zhang, Fan; Fu, Yubin; Xu, Qing; Wang, Xinyang; Zhuang, Xiaodong; Wu, Dongqing; Giannakopoulos, Angelos; Beljonne, David; Feng, Xinliang","Efficient approach to electron-deficient 1,2,7,8-tetraazaperylene derivatives.","Organic letters","2014","16","18","4726","4729","10.1021/ol502109y","","","0.71073","MoKα","","0.0442","0.0344","","","0.0907","0.0999","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517550","10.6719","0.0003","19.4897","0.0005","10.9956","0.0003","90","","99.063","0.002","90","","2258.45","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C108 H92 N4 O16 -","4","1","","Ma, Dengke; Qiu, Youai; Dai, Jianxin; Fu, Chunling; Ma, Shengming","N-heterocyclic carbene-promoted annulation reaction of allenals with chalcones: synthesis of polysubstituted pyranyl aldehydes.","Organic letters","2014","16","18","4742","4745","10.1021/ol5021509","","","1.54184","CuKα","","0.0498","0.0391","","","0.0996","0.1092","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517551","28.281","0.002","6.5273","0.0006","38.133","0.004","90","","107.759","0.01","90","","6703.9","1.1","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C324 H276 N12 O48 -","12","3","","Ma, Dengke; Qiu, Youai; Dai, Jianxin; Fu, Chunling; Ma, Shengming","N-heterocyclic carbene-promoted annulation reaction of allenals with chalcones: synthesis of polysubstituted pyranyl aldehydes.","Organic letters","2014","16","18","4742","4745","10.1021/ol5021509","","","1.54184","CuKα","","0.1724","0.0723","","","0.1629","0.2235","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517552","13.1313","0.0015","19.0446","0.0014","12.9434","0.0016","90","","111.691","0.014","90","","3007.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N4 O5 -","- C30 H28 N4 O5 -","- C120 H112 N16 O20 -","4","1","","Ma, Dengke; Qiu, Youai; Dai, Jianxin; Fu, Chunling; Ma, Shengming","N-heterocyclic carbene-promoted annulation reaction of allenals with chalcones: synthesis of polysubstituted pyranyl aldehydes.","Organic letters","2014","16","18","4742","4745","10.1021/ol5021509","","","0.71073","MoKα","","0.1166","0.0682","","","0.1992","0.2243","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517553","14.1406","0.001","12.2673","0.0011","16.5856","0.0015","90","","114.591","0.003","90","","2616.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 N O4 S2 -","- C27 H29 N O4 S2 -","- C108 H116 N4 O16 S8 -","4","1","","Purkait, Nibadita; Okumura, Sota; Souto, José A; Muñiz, Kilian","Hypervalent iodine mediated oxidative amination of allenes.","Organic letters","2014","16","18","4750","4753","10.1021/ol502179z","","","0.71073","MoKα","","0.0673","0.0525","","","0.1384","0.1551","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517554","13.3744","0.0006","13.5682","0.0007","14.1249","0.0007","110.375","0.0013","91.9896","0.0014","94.6382","0.0013","2389.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44.75 H43.5 Cl3.5 N2 O8 S4 -","- C44.75 H43.5 Cl3.5 N2 O8 S4 -","- C89.5 H87 Cl7 N4 O16 S8 -","2","1","","Purkait, Nibadita; Okumura, Sota; Souto, José A; Muñiz, Kilian","Hypervalent iodine mediated oxidative amination of allenes.","Organic letters","2014","16","18","4750","4753","10.1021/ol502179z","","","0.71073","MoKα","","0.077","0.0651","","","0.1787","0.1872","","","","","","1.087","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517555","9.8068","0.0005","10.2636","0.0005","12.403","0.0006","89.2848","0.0019","80.603","0.002","62.3352","0.0018","1087.98","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N O4 S2 -","- C24 H23 N O4 S2 -","- C48 H46 N2 O8 S4 -","2","1","","Purkait, Nibadita; Okumura, Sota; Souto, José A; Muñiz, Kilian","Hypervalent iodine mediated oxidative amination of allenes.","Organic letters","2014","16","18","4750","4753","10.1021/ol502179z","","","0.71073","MoKα","","0.0372","0.0347","","","0.0921","0.0947","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517556","12.6981","0.0007","13.6452","0.0008","22.4861","0.0012","104.258","0.0017","92.0656","0.0016","116.305","0.0015","3337.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Cl N O4 S2 -","- C23 H20 Cl N O4 S2 -","- C138 H120 Cl6 N6 O24 S12 -","6","3","","Purkait, Nibadita; Okumura, Sota; Souto, José A; Muñiz, Kilian","Hypervalent iodine mediated oxidative amination of allenes.","Organic letters","2014","16","18","4750","4753","10.1021/ol502179z","","","0.71073","MoKα","","0.0485","0.04","","","0.1377","0.148","","","","","","1.135","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517557","6.3965","0.0013","9.8109","0.0015","19.436","0.002","75.475","0.014","80.285","0.016","73.29","0.015","1124.7","0.3","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H58 O2 -","- C60 H58 O2 -","- C60 H58 O2 -","1","0.5","","Shen, Junjian; Yuan, Dafei; Qiao, Yan; Shen, Xingxing; Zhang, Zhongbo; Zhong, Yuwu; Yi, Yuanping; Zhu, Xiaozhang","Diaceno[a,e]pentalenes from Homoannulations of o-Alkynylaryliodides Utilizing a Unique Pd(OAc)2/n-Bu4NOAc Catalytic Combination.","Organic letters","2014","16","18","4924","4927","10.1021/ol502440d","","","0.71075","MoKα","","0.1289","0.0905","","","0.2541","0.2893","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517558","8.1663","0.0016","18.219","0.004","7.7277","0.0015","90","","112.71","0.03","90","","1060.6","0.4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 -","- C28 H34 -","- C56 H68 -","2","0.5","","Shen, Junjian; Yuan, Dafei; Qiao, Yan; Shen, Xingxing; Zhang, Zhongbo; Zhong, Yuwu; Yi, Yuanping; Zhu, Xiaozhang","Diaceno[a,e]pentalenes from Homoannulations of o-Alkynylaryliodides Utilizing a Unique Pd(OAc)2/n-Bu4NOAc Catalytic Combination.","Organic letters","2014","16","18","4924","4927","10.1021/ol502440d","","","0.71073","MoKα","","0.0667","0.0641","","","0.145","0.1473","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517559","10.498","0.003","7.559","0.004","23.466","0.01","90","","90","","90","","1862.1","1.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H16 F2 -","- C28 H16 F2 -","- C112 H64 F8 -","4","0.5","","Shen, Junjian; Yuan, Dafei; Qiao, Yan; Shen, Xingxing; Zhang, Zhongbo; Zhong, Yuwu; Yi, Yuanping; Zhu, Xiaozhang","Diaceno[a,e]pentalenes from Homoannulations of o-Alkynylaryliodides Utilizing a Unique Pd(OAc)2/n-Bu4NOAc Catalytic Combination.","Organic letters","2014","16","18","4924","4927","10.1021/ol502440d","","","0.71073","MoKα","","0.0867","0.0821","","","0.1397","0.1414","","","","","","1.367","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517560","8.85","0.003","17.876","0.006","8.597","0.003","90","","107.197","0.005","90","","1299.3","0.8","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 -","- C36 H34 -","- C72 H68 -","2","0.5","","Shen, Junjian; Yuan, Dafei; Qiao, Yan; Shen, Xingxing; Zhang, Zhongbo; Zhong, Yuwu; Yi, Yuanping; Zhu, Xiaozhang","Diaceno[a,e]pentalenes from Homoannulations of o-Alkynylaryliodides Utilizing a Unique Pd(OAc)2/n-Bu4NOAc Catalytic Combination.","Organic letters","2014","16","18","4924","4927","10.1021/ol502440d","","","0.71073","MoKα","","0.1075","0.1006","","","0.2371","0.242","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517561","13.7795","0.0012","6.8296","0.0004","14.5782","0.0011","90","","111.208","0.009","90","","1279.02","0.18","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Yu, Wenlong; Chen, Jia; Gao, Kun; Liu, Zhanxiang; Zhang, Yuhong","Amide-Assisted Acetoxylation of Vinyl C(sp(2))-H Bonds by Rhodium Catalysis.","Organic letters","2014","16","18","4870","4873","10.1021/ol502378c","","","0.71073","MoKα","","0.0687","0.0455","","","0.1202","0.1365","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517562","10.298","0.0016","19.691","0.003","22.267","0.004","73.896","0.002","78.353","0.002","87.604","0.002","4248.3","1.2","153","2","153","2","","","","","","","","2","P -1","-P 1","2","","","","- C29 H28 -","- C29 H28 -","- C232 H224 -","8","4","","Kinoshita, Hidenori; Tohjima, Takayuki; Miura, Katsukiyo","Hydroalumination-Triggered Cyclization of Silylated 1,3-Dien-5-ynes to Polysubstituted Benzenes.","Organic letters","2014","16","18","4762","4765","10.1021/ol5022096","","","0.71073","MoKα","","0.1189","0.072","","","0.1896","0.2143","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517563","6.4976","0.0005","19.873","0.0014","17.4966","0.0013","90","","97.696","0.001","90","","2238.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Si -","- C27 H32 Si -","- C108 H128 Si4 -","4","1","","Kinoshita, Hidenori; Tohjima, Takayuki; Miura, Katsukiyo","Hydroalumination-Triggered Cyclization of Silylated 1,3-Dien-5-ynes to Polysubstituted Benzenes.","Organic letters","2014","16","18","4762","4765","10.1021/ol5022096","","","0.71073","MoKα","","0.0443","0.041","","","0.1605","0.1663","","","","","","1.309","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517564","8.7161","0.0004","44.918","0.002","5.2061","0.0003","90","","90","","90","","2038.24","0.18","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H19 F3 N2 O -","- C24 H19 F3 N2 O -","- C96 H76 F12 N8 O4 -","4","1","","Prieto, Alexis; Jeamet, Emeric; Monteiro, Nuno; Bouyssi, Didier; Baudoin, Olivier","Copper-Catalyzed β-Trifluoromethylation of Conjugated Hydrazones.","Organic letters","2014","16","18","4770","4773","10.1021/ol5022228","","","0.71069","MoKα","","0.0853","0.062","","0.0545","0.0466","0.0437","","","","","","1.2169","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517565","9.1115","0.0008","9.831","0.0009","11.399","0.0012","82.792","0.008","67.088","0.009","63.638","0.009","841.31","0.17","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 F3 N2 -","- C18 H17 F3 N2 -","- C36 H34 F6 N4 -","2","1","","Prieto, Alexis; Jeamet, Emeric; Monteiro, Nuno; Bouyssi, Didier; Baudoin, Olivier","Copper-Catalyzed β-Trifluoromethylation of Conjugated Hydrazones.","Organic letters","2014","16","18","4770","4773","10.1021/ol5022228","","","0.71069","MoKα","","0.074","0.056","","0.0982","0.0788","0.0757","","","","","","1.0559","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517566","14.5617","0.0004","9.5319","0.0003","14.8718","0.0004","90","","97.583","0.003","90","","2046.16","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C84 H92 N12 O20 -","4","1","","Zhang, Huan-Huan; Luo, Yong-Chun; Wang, Hua-Peng; Chen, Wei; Xu, Peng-Fei","TiCl4 Promoted Formal [3 + 3] Cycloaddition of Cyclopropane 1,1-Diesters with Azides: Synthesis of Highly Functionalized Triazinines and Azetidines.","Organic letters","2014","16","18","4896","4899","10.1021/ol5024079","","","0.7107","MoKα","","0.0777","0.0539","","","0.1592","0.186","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517607","8.747","0.0017","11.114","0.002","13.238","0.003","105.88","0.03","91.47","0.03","101.15","0.03","1210.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C50 H60 N4 O12 -","2","1","","Su, Youla; Zhou, Haipin; Chen, Jiaxuan; Xu, Jinyi; Wu, Xiaoming; Lin, Aijun; Yao, Hequan","Solvent-Controlled Switchable C-H Alkenylation of 4-Aryl-1H-pyrrole-3-carboxylates: Application to the Total Synthesis of (±)-Rhazinilam.","Organic letters","2014","16","18","4884","4887","10.1021/ol5023933","","","0.71073","MoKα","","0.1032","0.0671","","","0.1569","0.1771","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517608","9.75","0.0019","9.802","0.002","12.753","0.003","90.65","0.03","104.03","0.03","92.9","0.03","1180.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C50 H60 N4 O12 -","2","1","","Su, Youla; Zhou, Haipin; Chen, Jiaxuan; Xu, Jinyi; Wu, Xiaoming; Lin, Aijun; Yao, Hequan","Solvent-Controlled Switchable C-H Alkenylation of 4-Aryl-1H-pyrrole-3-carboxylates: Application to the Total Synthesis of (±)-Rhazinilam.","Organic letters","2014","16","18","4884","4887","10.1021/ol5023933","","","0.71073","MoKα","","0.1229","0.0666","","","0.1518","0.1753","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517657","9.9249","0.0004","8.819","0.0003","11.1611","0.0004","90","","105.551","0.002","90","","941.14","0.06","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C46 H50 N2 O4 -","2","1","","Iyer, Akila; Jockusch, Steffen; Sivaguru, J.","Dictating photoreactivity through restricted bond rotations: cross-photoaddition of atropisomeric acrylimide derivatives under UV/visible-light irradiation.","The journal of physical chemistry. A","2014","118","45","10596","10602","10.1021/jp505678b","","","1.54178","CuKα","","0.0331","0.0315","","","0.0765","0.0776","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517658","9.9205","0.0004","8.8195","0.0003","11.1609","0.0004","90","","105.611","0.002","90","","940.49","0.06","100","","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C46 H50 N2 O4 -","2","1","","Iyer, Akila; Jockusch, Steffen; Sivaguru, J.","Dictating photoreactivity through restricted bond rotations: cross-photoaddition of atropisomeric acrylimide derivatives under UV/visible-light irradiation.","The journal of physical chemistry. A","2014","118","45","10596","10602","10.1021/jp505678b","","","1.54178","CuKα","","0.0263","0.026","","","0.0647","0.0648","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517659","5.6485","0.0002","11.8378","0.0003","21.6295","0.0006","90","","90","","90","","1446.27","0.07","100","","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Iyer, Akila; Jockusch, Steffen; Sivaguru, J.","Dictating photoreactivity through restricted bond rotations: cross-photoaddition of atropisomeric acrylimide derivatives under UV/visible-light irradiation.","The journal of physical chemistry. A","2014","118","45","10596","10602","10.1021/jp505678b","","","1.54178","CuKα","","0.032","0.0307","","","0.0778","0.0786","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517660","11.462","0.002","14.582","0.003","16.852","0.003","90","","100.51","0.03","90","","2769.4","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 Co O2 -","- C37 H31 Co O2 -","- C148 H124 Co4 O8 -","4","1","","Hadadpour, Mahboubeh; Liu, Yuqing; Chadha, Preeti; Ragogna, Paul J.","Overcoming a Tight Coil To Give a Random “Co” Polymer Derived from a Mixed Sandwich Cobaltocene","Macromolecules","2014","47","18","6207","","10.1021/ma501323q","","","0.71073","MoKα","","0.0874","0.0619","","","0.1659","0.1852","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517661","12.47","0.003","14.711","0.003","17.798","0.004","90.65","0.03","109.64","0.03","93.95","0.03","3065.7","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H33 Co O3 -","- C40 H33 Co O3 -","- C160 H132 Co4 O12 -","4","2","","Hadadpour, Mahboubeh; Liu, Yuqing; Chadha, Preeti; Ragogna, Paul J.","Overcoming a Tight Coil To Give a Random “Co” Polymer Derived from a Mixed Sandwich Cobaltocene","Macromolecules","2014","47","18","6207","","10.1021/ma501323q","","","0.71073","MoKα","","0.0935","0.0503","","","0.1035","0.1221","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517662","18.8157","0.0016","10.5029","0.0009","15.0591","0.0015","90","","90","","90","","2976","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H13 N O4 S -","- C16 H13 N O4 S -","- C128 H104 N8 O32 S8 -","8","1","","Reddy, Mallu Chenna; Jeganmohan, Masilamani","Ruthenium-Catalyzed Cyclization of Aromatic Nitriles with Alkenes: Stereoselective Synthesis of (Z)-3-Methyleneisoindolin-1-ones.","Organic letters","2014","16","18","4866","4869","10.1021/ol502375p","","","0.71073","MoKα","","0.0651","0.0397","","","0.1231","0.1462","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517663","8.2359","0.0005","8.5523","0.0007","9.8068","0.0007","82.635","0.005","75.399","0.004","78.539","0.005","652.89","0.08","88.2","","88.2","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C34 H32 N4 O2 -","2","1","","Soeta, Takahiro; Ohgai, Takahiro; Sakai, Takahiro; Fujinami, Shuhei; Ukaji, Yutaka","Ring Enlargement Reaction of C,N-Cyclic-N'-acyl Azomethine Imines with Sulfonium Ylide: An Efficient Synthesis of 3-Benzazepine Derivatives.","Organic letters","2014","16","18","4854","4857","10.1021/ol502347n","","","0.71073","MoKα","","","0.0517","","","","0.0865","","","","","","1.584","","","","has coordinates","275204","2022-05-07","03:33:19",""
"1517664","62.156","0.003","6.5176","0.0003","18.9764","0.0008","90","","101.552","0.003","90","","7531.8","0.6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H45 Cl O -","- C27 H45 Cl O -","- C324 H540 Cl12 O12 -","12","3","","Jing, Yuanyuan; Daniliuc, Constantin G.; Studer, Armido","Direct Conversion of Alcohols to α-Chloro Aldehydes and α-Chloro Ketones.","Organic letters","2014","16","18","4932","4935","10.1021/ol5024568","","","1.54178","CuKα","","0.153","0.0753","","","0.1762","0.2199","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517665","8.75713","0.00016","15.9322","0.0002","13.1649","0.0002","90","","108.299","0.0019","90","","1743.89","0.05","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K.","Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process.","Organic letters","2014","16","18","4900","4903","10.1021/ol5024129","","x-ray","0.71073","MoKα","","0.057","0.0496","","","0.1284","0.134","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517666","15.1668","0.001","13.0868","0.0003","18.4536","0.0008","90","","114.242","0.007","90","","3339.8","0.3","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C168 H144 N16 O24 -","8","2","","Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K.","Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process.","Organic letters","2014","16","18","4900","4903","10.1021/ol5024129","","x-ray","0.7107","MoKα","","0.0716","0.0478","","","0.1092","0.1228","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517667","7.7526","0.0003","16.2826","0.0007","14.5413","0.0008","90","","96.448","0.005","90","","1823.97","0.15","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C88 H88 N8 O12 -","4","1","","Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K.","Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process.","Organic letters","2014","16","18","4900","4903","10.1021/ol5024129","","x-ray","0.71073","MoKα","","0.1533","0.0928","","","0.2206","0.2563","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517668","9.00239","0.00019","14.4646","0.0003","27.9468","0.0006","90","","90","","90","","3639.12","0.13","110.05","0.1","110.05","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C176 H176 N16 O24 -","8","1","","Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K.","Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process.","Organic letters","2014","16","18","4900","4903","10.1021/ol5024129","","x-ray","0.71073","MoKα","","0.0547","0.0519","","","0.137","0.1392","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517669","8.64219","0.00011","11.74898","0.00019","21.3609","0.0003","90","","90.4435","0.0012","90","","2168.85","0.05","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C100 H104 N8 O16 -","4","1","","Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K.","Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process.","Organic letters","2014","16","18","4900","4903","10.1021/ol5024129","","x-ray","0.71073","MoKα","","0.0526","0.0433","","","0.1077","0.1138","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517670","8.8304","0.0004","9.0124","0.0003","14.1564","0.0004","102.491","0.003","92.693","0.003","106.893","0.004","1045.18","0.07","110.05","0.1","110.05","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C50 H52 N4 O8 -","2","1","","Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K.","Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process.","Organic letters","2014","16","18","4900","4903","10.1021/ol5024129","","x-ray","0.7107","MoKα","","0.052","0.0432","","","0.109","0.1149","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517738","15.291","0.0014","15.0222","0.0014","32.525","0.003","90","","90","","90","","7471.1","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Z3","","","- C44 H50 N4 Zn -","- C44 H50 N4 Zn -","- C352 H400 N32 Zn8 -","8","1","","Trinh, Cong; Kirlikovali, Kent; Das, Saptaparna; Ener, Maraia E.; Gray, Harry B.; Djurovich, Peter; Bradforth, Stephen E.; Thompson, Mark E.","Symmetry-Breaking Charge Transfer of Visible Light Absorbing Systems: Zinc Dipyrrins.","The journal of physical chemistry. C, Nanomaterials and interfaces","2014","118","38","21834","21845","10.1021/jp506855t","","","0.71073","MoKα","","0.0546","0.0368","","","0.0851","0.095","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517739","14.1571","0.0008","12.7265","0.0007","25.3289","0.0014","90","","90.301","0.001","90","","4563.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ZIPYMe2Et","","","- C52 H66 N4 Zn -","- C52 H66 N4 Zn -","- C208 H264 N16 Zn4 -","4","1","","Trinh, Cong; Kirlikovali, Kent; Das, Saptaparna; Ener, Maraia E.; Gray, Harry B.; Djurovich, Peter; Bradforth, Stephen E.; Thompson, Mark E.","Symmetry-Breaking Charge Transfer of Visible Light Absorbing Systems: Zinc Dipyrrins.","The journal of physical chemistry. C, Nanomaterials and interfaces","2014","118","38","21834","21845","10.1021/jp506855t","","","0.71073","MoKα","","0.0631","0.0408","","","0.1011","0.1122","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517740","13.958","0.003","15.459","0.003","16.517","0.003","66.687","0.002","74.418","0.002","78.087","0.003","3132.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Z5","","","- C31.5 H41 Cl N2 O2 Zn -","- C31.5 H41 Cl N2 O2 Zn -","- C126 H164 Cl4 N8 O8 Zn4 -","4","2","","Trinh, Cong; Kirlikovali, Kent; Das, Saptaparna; Ener, Maraia E.; Gray, Harry B.; Djurovich, Peter; Bradforth, Stephen E.; Thompson, Mark E.","Symmetry-Breaking Charge Transfer of Visible Light Absorbing Systems: Zinc Dipyrrins.","The journal of physical chemistry. C, Nanomaterials and interfaces","2014","118","38","21834","21845","10.1021/jp506855t","","","0.71073","MoKα","","0.0933","0.0665","","","0.1458","0.1717","","","","","","1.133","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1517741","13.858","0.0005","17.1278","0.0006","14.581","0.0007","90","","116.754","0.001","90","","3090.4","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ZnmesDPMe2tBu","","","- C33 H44 N2 O2 Zn -","- C33 H44 N2 O2 Zn -","- C132 H176 N8 O8 Zn4 -","4","0.5","","Trinh, Cong; Kirlikovali, Kent; Das, Saptaparna; Ener, Maraia E.; Gray, Harry B.; Djurovich, Peter; Bradforth, Stephen E.; Thompson, Mark E.","Symmetry-Breaking Charge Transfer of Visible Light Absorbing Systems: Zinc Dipyrrins.","The journal of physical chemistry. C, Nanomaterials and interfaces","2014","118","38","21834","21845","10.1021/jp506855t","","","0.71073","MoKα","","0.0437","0.0318","","","0.0753","0.0801","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517742","7.525","0.003","12.138","0.004","12.231","0.004","73.505","0.006","80.547","0.006","80.693","0.006","1048.8","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Cl2 N5 O4 -","- C21 H19 Cl2 N5 O4 -","- C42 H38 Cl4 N10 O8 -","2","1","","Surov, Artem O.; Voronin, Alexander P.; Manin, Alex N.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L.","Pharmaceutical cocrystals of diflunisal and diclofenac with theophylline.","Molecular pharmaceutics","2014","11","10","3707","3715","10.1021/mp5004652","","","0.71073","MoKα","","0.0868","0.0539","","","0.1239","0.1384","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517743","7.0731","0.0004","35.014","0.002","7.6856","0.0004","90","","100.827","0.001","90","","1869.51","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F2 N4 O5 -","- C20 H16 F2 N4 O5 -","- C80 H64 F8 N16 O20 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Manin, Alex N.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L.","Pharmaceutical cocrystals of diflunisal and diclofenac with theophylline.","Molecular pharmaceutics","2014","11","10","3707","3715","10.1021/mp5004652","","","0.71073","MoKα","","0.0515","0.0394","","","0.0939","0.101","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517744","6.5827","0.0006","7.8919","0.0007","15.4217","0.0014","90","","90","","90","","801.16","0.13","293","2","293","2","","","","","","","","5","P 21 2 21","P 2ac 2ac","18","","","","- C6 H5 N2 Ni O4 -","- C6 H5 N2 Ni O4 -","- C24 H20 N8 Ni4 O16 -","4","1","","Kang, Zixi; Xue, Ming; Fan, Lili; Huang, Lin; Guo, Lijia; Wei, Guoying; Chen, Banglin; Qiu, Shilun","Highly selective sieving of small gas molecules by using an ultra-microporous metal‒organic framework membrane","Energy Environ. Sci.","2014","7","12","4053","","10.1039/C4EE02275K","","","0.71073","MoKα","","0.0439","0.0416","","","0.0947","0.0964","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517745","7.6281","0.0005","29.8493","0.0019","8.037","0.0005","90","","95.421","0.004","90","","1821.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 P -","- C24 H21 P -","- C96 H84 P4 -","4","1","","Rawe, Benjamin W.; Chun, Cindy P.; Gates, Derek P.","Anionic polymerisation of phosphaalkenes bearing polyaromatic chromophores: phosphine polymers showing “turn-on” emission selectively with peroxide","Chem. Sci.","2014","5","12","4928","","10.1039/C4SC02133A","","","0.71073","MoKα","","0.0622","0.0557","","","0.1347","0.1373","","","","","","1.198","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517746","12.054","0.005","9.298","0.005","18.724","0.005","90","0.005","99.348","0.005","90","0.005","2070.7","1.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 P -","- C26 H23 P -","- C104 H92 P4 -","4","1","","Rawe, Benjamin W.; Chun, Cindy P.; Gates, Derek P.","Anionic polymerisation of phosphaalkenes bearing polyaromatic chromophores: phosphine polymers showing “turn-on” emission selectively with peroxide","Chem. Sci.","2014","5","12","4928","","10.1039/C4SC02133A","","","0.71069","MoKα","","0.0587","0.0412","","","0.0952","0.1043","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517747","19.514","0.002","13.301","0.0014","20.028","0.002","90","","119.519","0.001","90","","4523.6","0.8","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H25 P -","- C30 H25 P -","- C240 H200 P8 -","8","1","","Rawe, Benjamin W.; Chun, Cindy P.; Gates, Derek P.","Anionic polymerisation of phosphaalkenes bearing polyaromatic chromophores: phosphine polymers showing “turn-on” emission selectively with peroxide","Chem. Sci.","2014","5","12","4928","","10.1039/C4SC02133A","","","0.71069","MoKα","","0.0673","0.0488","","","0.1219","0.1372","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517779","9.059","0.0012","11.3961","0.0016","15.78","0.002","68.8889","0.0016","79.0989","0.0017","67.1611","0.0016","1398.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 O4 S4 -","- C34 H20 O4 S4 -","- C68 H40 O8 S8 -","2","1","","Cai, Song-Liang; Zhang, Yue-Biao; Pun, Andrew B.; He, Bo; Yang, Jinhui; Toma, Francesca M.; Sharp, Ian D.; Yaghi, Omar M.; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang; Liu, Yi","Tunable electrical conductivity in oriented thin films of tetrathiafulvalene-based covalent organic framework","Chem. Sci.","2014","5","12","4693","","10.1039/C4SC02593H","","","0.7749","synchrotron","","0.064","0.0554","","","0.1761","0.1875","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517780","15.9142","0.0007","7.9235","0.0004","20.8037","0.001","90","","106.326","0.003","90","","2517.5","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H48 N4 S4 -","- C65 H48 N4 S4 -","- C130 H96 N8 S8 -","2","1","","Cai, Song-Liang; Zhang, Yue-Biao; Pun, Andrew B.; He, Bo; Yang, Jinhui; Toma, Francesca M.; Sharp, Ian D.; Yaghi, Omar M.; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang; Liu, Yi","Tunable electrical conductivity in oriented thin films of tetrathiafulvalene-based covalent organic framework","Chem. Sci.","2014","5","12","4693","","10.1039/C4SC02593H","","","0.7749","synchrotron","","0.078","0.0557","","","0.1379","0.1511","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517787","9.2797","0.0008","7.6305","0.0005","12.3433","0.0009","90","","96.185","0.006","90","","868.93","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C42 H42 N2 O4 -","2","1","","Islam, Kobirul; Das, Deb K.; Khan, Abu T.","Hydrated ferric sulfate catalyzed synthesis of 5,6-unsubstituted 1,4-dihydropyridines using three-component reaction","Tetrahedron Letters","2014","55","41","5613","5617","10.1016/j.tetlet.2014.08.067","","","0.71073","MoKα","","0.1072","0.0903","","","0.2634","0.2762","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517791","5.4515","0.0004","29.25","0.002","14.0037","0.0009","90","","99.689","0.005","90","","2201.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N3 O7 -","- C23 H27 N3 O7 -","- C92 H108 N12 O28 -","4","1","","Terzidis, Michael A.; Tsiaras, Vassilios G.; Drosos, Nicolaos M.; Kasapidou, Paraskevi M.; Stephanidou-Stephanatou, Julia; Tsoleridis, Constantinos A.; Buth, Gernot; Kostakis, George E.","Chromeno[2,3-c]pyrroles by one-pot multicomponent domino addition‒amination reaction","Tetrahedron Letters","2014","55","41","5601","5604","10.1016/j.tetlet.2014.08.048","","","0.8","","","0.1368","0.1283","","","0.352","0.3598","","","","","","1.497","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517792","8.7649","0.0005","8.7954","0.0007","9.0065","0.0014","90.566","0.009","95.61","0.008","100.043","0.006","680.15","0.13","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 F N O4 -","- C14 H16 F N O4 -","- C28 H32 F2 N2 O8 -","2","1","","Dorotíková, Sandra; Plevová, Kristína; Bučinský, Lukáš; Malček, Michal; Herich, Peter; Kucková, Lenka; Bobeničová, Miroslava; Soralová, Stanislava; Kožíšek, Jozef; Fronc, Marek; Milata, Viktor; Dvoranová, Dana","Conformational, spectroscopic, and molecular dynamics DFT study of precursors for new potential antibacterial fluoroquinolone drugs.","The journal of physical chemistry. A","2014","118","40","9540","9551","10.1021/jp506355f","","","0.71073","MoKα","","0.0683","0.0534","","","0.1285","0.1398","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517793","6.1162","0.0003","9.6371","0.0005","10.2412","0.0005","108.298","0.004","98.083","0.004","100.432","0.004","550.9","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 F N O2 -","- C12 H12 F N O2 -","- C24 H24 F2 N2 O4 -","2","1","","Dorotíková, Sandra; Plevová, Kristína; Bučinský, Lukáš; Malček, Michal; Herich, Peter; Kucková, Lenka; Bobeničová, Miroslava; Soralová, Stanislava; Kožíšek, Jozef; Fronc, Marek; Milata, Viktor; Dvoranová, Dana","Conformational, spectroscopic, and molecular dynamics DFT study of precursors for new potential antibacterial fluoroquinolone drugs.","The journal of physical chemistry. A","2014","118","40","9540","9551","10.1021/jp506355f","","","0.71073","MoKα","","0.0505","0.0413","","","0.1099","0.1172","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517794","7.1117","0.0003","7.1194","0.0004","12.015","0.0007","74.345","0.005","85.823","0.004","79.083","0.004","575.01","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 F N O4 -","- C12 H12 F N O4 -","- C24 H24 F2 N2 O8 -","2","1","","Dorotíková, Sandra; Plevová, Kristína; Bučinský, Lukáš; Malček, Michal; Herich, Peter; Kucková, Lenka; Bobeničová, Miroslava; Soralová, Stanislava; Kožíšek, Jozef; Fronc, Marek; Milata, Viktor; Dvoranová, Dana","Conformational, spectroscopic, and molecular dynamics DFT study of precursors for new potential antibacterial fluoroquinolone drugs.","The journal of physical chemistry. A","2014","118","40","9540","9551","10.1021/jp506355f","","","0.71073","MoKα","","0.0388","0.0354","","","0.0953","0.0986","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517798","9.067","0.002","12.47","0.003","13.647","0.003","63.737","0.004","85.712","0.004","73.393","0.004","1323.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 Cl2 N3 O5 -","- C30 H25 Cl2 N3 O5 -","- C60 H50 Cl4 N6 O10 -","2","1","","Li, Ping; Parker, Trent M.; Hwang, Jungwun; Deng, Fengyuan; Smith, Mark D.; Pellechia, Perry J.; Sherrill, C. David; Shimizu, Ken D.","The CH-π Interactions of Methyl Ethers as a Model for Carbohydrate-N-Heteroarene Interactions.","Organic letters","2014","16","19","5064","5067","10.1021/ol502418k","","","0.71073","MoKα","","0.0552","0.0405","","","0.0931","0.1003","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517799","17.478","0.002","15.8115","0.0019","9.5216","0.0012","90","","100.376","0.003","90","","2588.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 N4 O5 -","- C31 H26 N4 O5 -","- C124 H104 N16 O20 -","4","1","","Li, Ping; Parker, Trent M.; Hwang, Jungwun; Deng, Fengyuan; Smith, Mark D.; Pellechia, Perry J.; Sherrill, C. David; Shimizu, Ken D.","The CH-π Interactions of Methyl Ethers as a Model for Carbohydrate-N-Heteroarene Interactions.","Organic letters","2014","16","19","5064","5067","10.1021/ol502418k","","","0.71073","MoKα","","0.0543","0.0382","","","0.0873","0.1021","","","","","","0.976","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517800","14.233","0.002","16.18","0.003","9.9786","0.0017","90","","90.08","0.003","90","","2298","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O5 -","- C30 H24 N2 O5 -","- C120 H96 N8 O20 -","4","1","","Li, Ping; Parker, Trent M.; Hwang, Jungwun; Deng, Fengyuan; Smith, Mark D.; Pellechia, Perry J.; Sherrill, C. David; Shimizu, Ken D.","The CH-π Interactions of Methyl Ethers as a Model for Carbohydrate-N-Heteroarene Interactions.","Organic letters","2014","16","19","5064","5067","10.1021/ol502418k","","","0.71073","MoKα","","0.0612","0.0477","","","0.1101","0.1186","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517801","5.7333","0.0004","11.7399","0.0009","11.8211","0.0009","90","","101.702","0.004","90","","779.12","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Maji, Tapan; Tunge, Jon A.","Catalytic α-Monoallylation of Aryl Acetonitriles.","Organic letters","2014","16","19","5072","5075","10.1021/ol5024294","","","1.54178","CuKα","","0.0474","0.0455","","","0.1206","0.1221","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517803","3.5161","0.0016","3.5161","0.0016","4.1043","0.0019","90","","90","","90","","50.74","0.04","295","","295","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","carbon dioxide","carbon dioxide","","- C O2 -","- C O2 -","- C2 O4 -","2","0.125","","Datchi, Frédéric; Mallick, Bidyut; Salamat, Ashkan; Rousse, Gwenaëlle; Ninet, Sandra; Garbarino, Gaston; Bouvier, Pierre; Mezouar, Mohamed","Structure and compressibility of the high-pressure molecular phase II of carbon dioxide","Physical Review B: Condensed Matter and Materials Physics","2014","89","14","144101","","10.1103/physrevb.89.144101","powder diffraction","","","X-ray","","","","","","","","","1.921","","","","","","","","has coordinates","209050","2020-10-21","18:00:00",""
"1517804","12.9465","0.0004","14.7156","0.0005","15.0171","0.0005","89.616","0.003","73.336","0.003","78.252","0.003","2679.35","0.16","97.5","","97.5","","","","","","","","","3","P 1","P 1","1","","","","- C30 H48 O7 -","- C30 H48 O7 -","- C120 H192 O28 -","4","4","","Li, Man-Man; Su, Xiao-Qin; Sun, Jing; Gu, Yu-Fan; Huang, Zheng; Zeng, Ke-Wu; Zhang, Qian; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Li, Jun; Tu, Peng-Fei","Anti-inflammatory Ursane- and Oleanane-Type Triterpenoids from Vitex negundo var. cannabifolia.","Journal of natural products","2014","77","10","2248","2254","10.1021/np500509q","","","1.5418","CuKα","","0.0635","0.0625","","","0.1654","0.1672","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517805","12.3961","0.0001","12.9688","0.0001","13.7957","0.0001","90","","90","","90","","2217.83","0.03","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N4 O4 -","- C25 H24 N4 O4 -","- C100 H96 N16 O16 -","4","1","","Peng, Jixing; Gao, Huquan; Zhang, Xiaomin; Wang, Shuai; Wu, Chongming; Gu, Qianqun; Guo, Peng; Zhu, Tianjiao; Li, Dehai","Psychrophilins E-H and Versicotide C, Cyclic Peptides from the Marine-Derived Fungus Aspergillus versicolor ZLN-60.","Journal of natural products","2014","77","10","2218","2223","10.1021/np500469b","","","1.54184","CuKα","","0.0278","0.0272","","","0.0768","0.0774","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517806","10.5253","0.0005","17.2681","0.0008","20.8581","0.001","90","","90","","90","","3791","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H46 Cl2 N10 O2 Pt -","- C34 H46 Cl2 N10 O2 Pt -","- C136 H184 Cl8 N40 O8 Pt4 -","4","0.5","","Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu","Anionic halide···alcohol clusters in the solid state.","The journal of physical chemistry. A","2014","118","40","9529","9539","10.1021/jp506256a","","","0.71073","MoKα","","0.0758","0.0334","","","0.057","0.0668","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517807","10.4214","0.0002","17.7041","0.0003","21.4018","0.0005","90","","90","","90","","3948.66","0.14","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H50 Cl2 N10 O2 Pt -","- C36 H50 Cl2 N10 O2 Pt -","- C144 H200 Cl8 N40 O8 Pt4 -","4","0.5","","Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu","Anionic halide···alcohol clusters in the solid state.","The journal of physical chemistry. A","2014","118","40","9529","9539","10.1021/jp506256a","","","0.71073","MoKα","","0.0539","0.031","","","0.0554","0.0652","","","","","","1.146","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517808","10.03","0.0003","10.1874","0.0003","10.6219","0.0004","91.285","0.002","106.122","0.003","102.222","0.002","1015.21","0.06","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H54 Cl2 N10 O2 Pt -","- C38 H54 Cl2 N10 O2 Pt -","- C38 H54 Cl2 N10 O2 Pt -","1","0.5","","Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu","Anionic halide···alcohol clusters in the solid state.","The journal of physical chemistry. A","2014","118","40","9529","9539","10.1021/jp506256a","","","0.71073","MoKα","","0.0157","0.0157","","","0.038","0.038","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517809","8.8123","0.0005","21.8035","0.0013","10.7171","0.0006","90","","105.572","0.001","90","","1983.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 Cl2 N10 O4 Pt -","- C38 H50 Cl2 N10 O4 Pt -","- C76 H100 Cl4 N20 O8 Pt2 -","2","0.5","","Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu","Anionic halide···alcohol clusters in the solid state.","The journal of physical chemistry. A","2014","118","40","9529","9539","10.1021/jp506256a","","","0.71073","MoKα","","0.0253","0.0184","","","0.0425","0.0455","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517810","10.7643","0.0002","17.784","0.0002","22.2899","0.0004","90","","90","","90","","4267.01","0.12","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H54 Cl2 N10 O4 Pt -","- C40 H54 Cl2 N10 O4 Pt -","- C160 H216 Cl8 N40 O16 Pt4 -","4","0.5","","Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu","Anionic halide···alcohol clusters in the solid state.","The journal of physical chemistry. A","2014","118","40","9529","9539","10.1021/jp506256a","","","0.71073","MoKα","","0.065","0.0301","","","0.0388","0.0449","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517811","8.947","0.0009","10.8626","0.0011","11.7344","0.0012","94.084","0.005","109.329","0.005","104.174","0.005","1028.84","0.19","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 Br2 N10 O2 Pt -","- C40 H54 Br2 N10 O2 Pt -","- C40 H54 Br2 N10 O2 Pt -","1","0.5","","Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu","Anionic halide···alcohol clusters in the solid state.","The journal of physical chemistry. A","2014","118","40","9529","9539","10.1021/jp506256a","","","0.71073","MoKα","","0.0983","0.028","","","0.0654","0.0709","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517814","7.58","0.005","12.228","0.007","20.041","0.013","97.8","0.03","97","0.02","107.58","0.04","1728.1","1.9","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C36 H40 Br2 O6 -","- C36 H40 Br2 O6 -","- C72 H80 Br4 O12 -","2","2","","Kanoh, Naoki; Kawamata, Ayano; Itagaki, Tomohiro; Miyazaki, Yuta; Yahata, Kenzo; Kwon, Eunsang; Iwabuchi, Yoshiharu","A Concise and Unified Strategy for Synthesis of the C1-C18 Macrolactone Fragments of FD-891, FD-892 and Their Analogues: Formal Total Synthesis of FD-891.","Organic letters","2014","16","19","5216","5219","10.1021/ol502633j","","","0.71075","MoKα","","","0.0518","","","","0.1085","","","","","","0.948","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517815","11.9525","0.0006","7.8235","0.0005","16.048","0.001","90","","108.111","0.007","90","","1426.31","0.16","294.29","0.1","294.29","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H29 Cl N2 O7 S -","- C30 H29 Cl N2 O7 S -","- C60 H58 Cl2 N4 O14 S2 -","2","1","","Yang, Yu-Jie; Zhang, Hai-Rui; Zhu, Shi-Ya; Zhu, Ping; Hui, Xin-Ping","Highly Stereoselective Synthesis of Functionalized Pyrrolo[3,2-c]quinolines via N-Heterocyclic Carbene Catalyzed Cascade Sequence.","Organic letters","2014","16","19","5048","5051","10.1021/ol5023917","","","0.71","MoKα","","0.0552","0.0441","","","0.0896","0.0994","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517816","8.97246","0.00007","14.38622","0.00013","10.17414","0.00008","90","","100.045","0.0008","90","","1293.15","0.019","99.9","0.14","99.9","0.14","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O2 S -","- C13 H16 N2 O2 S -","- C52 H64 N8 O8 S4 -","4","2","","Antolak, Stephanie A.; Yao, Zhong-Ke; Richoux, Gary M.; Slebodnick, Carla; Carlier, Paul R.","Enantioselective Deprotonative Ring Contraction of N1-Methyl-N4-Boc-benzo[e][1,4]diazepine-2,5-diones.","Organic letters","2014","16","19","5204","5207","10.1021/ol502586n","","x-ray","1.54184","CuKα","","0.035","0.0346","","","0.0959","0.0965","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517817","10.5399","0.00016","16.39067","0.00019","10.65777","0.00014","90","","102.33","0.0014","90","","1798.72","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C72 H96 N8 O16 -","4","2","","Antolak, Stephanie A.; Yao, Zhong-Ke; Richoux, Gary M.; Slebodnick, Carla; Carlier, Paul R.","Enantioselective Deprotonative Ring Contraction of N1-Methyl-N4-Boc-benzo[e][1,4]diazepine-2,5-diones.","Organic letters","2014","16","19","5204","5207","10.1021/ol502586n","","","1.54184","CuKα","","0.0407","0.0355","","","0.0915","0.1107","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517818","9.05087","0.00007","13.52501","0.00011","18.54998","0.00014","90","","90","","90","","2270.76","0.03","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O6 -","- C22 H30 N2 O6 -","- C88 H120 N8 O24 -","4","1","","Antolak, Stephanie A.; Yao, Zhong-Ke; Richoux, Gary M.; Slebodnick, Carla; Carlier, Paul R.","Enantioselective Deprotonative Ring Contraction of N1-Methyl-N4-Boc-benzo[e][1,4]diazepine-2,5-diones.","Organic letters","2014","16","19","5204","5207","10.1021/ol502586n","","","1.54184","CuKα","","0.0303","0.0295","","","0.0755","0.0763","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517819","11.7191","0.0002","14.4137","0.0003","22.2809","0.0004","90","","90","","90","","3763.59","0.12","99.9","0.14","99.9","0.14","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C152 H208 N16 O32 -","8","2","","Antolak, Stephanie A.; Yao, Zhong-Ke; Richoux, Gary M.; Slebodnick, Carla; Carlier, Paul R.","Enantioselective Deprotonative Ring Contraction of N1-Methyl-N4-Boc-benzo[e][1,4]diazepine-2,5-diones.","Organic letters","2014","16","19","5204","5207","10.1021/ol502586n","","","1.54184","CuKα","","0.0402","0.0382","","","0.0922","0.094","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517827","7.737","0.003","10.541","0.004","19.242","0.008","90","","90","","90","","1569.3","1.1","293","2","293","2","","","","","","","","4","P 21 a b","P -2b 2a","29","","","","- C19 H12 Cl2 N2 -","- C19 H12 Cl2 N2 -","- C76 H48 Cl8 N8 -","4","1","","Qian, Guangyin; Hong, Xiaohu; Liu, Bingxin; Mao, Hong; Xu, Bin","Rhodium-catalyzed regioselective C-h chlorination of 7-azaindoles using 1,2-dichloroethane.","Organic letters","2014","16","20","5294","5297","10.1021/ol502447w","","","0.71073","MoKα","","0.0506","0.0432","","","0.1124","0.1211","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517828","31.994","0.004","6.1028","0.0007","16.831","0.002","90","","98.394","0.006","90","","3251.1","0.7","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H26 N4 O13 -","- C33 H26 N4 O13 -","- C132 H104 N16 O52 -","4","1","","Fernández de la Pradilla, Roberto; Velado, Marina; Colomer, Ignacio; Simal, Carmen; Viso, Alma; Gornitzka, Heinz; Hemmert, Catherine","Remote stereocontrol in the synthesis of acyclic 1,4-diols and 1,4-aminoalcohols from 2-sulfinyl dienes.","Organic letters","2014","16","19","5200","5203","10.1021/ol502592y","","","0.71073","MoKα","","0.1447","0.0491","","","0.0857","0.1117","","","","","","0.965","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1517829","7.9901","0.0002","12.9361","0.0003","15.1823","0.0004","90","","90","","90","","1569.25","0.07","296.7","0.9","296.7","0.9","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N3 -","- C20 H15 N3 -","- C80 H60 N12 -","4","1","","Cai, Zhong-Jian; Lu, Xin-Mou; Zi, You; Yang, Chao; Shen, Ling-Jie; Li, Jian; Wang, Shun-Yi; Ji, Shun-Jun","I2/TBPB Mediated Oxidative Reaction of N-Tosylhydrazones with Anilines: Practical Construction of 1,4-Disubstituted 1,2,3-Triazoles under Metal-Free and Azide-Free Conditions.","Organic letters","2014","16","19","5108","5111","10.1021/ol502431b","","","0.71073","MoKα","","0.0725","0.0692","","","0.1871","0.1905","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517830","7.3641","0.0005","5.6583","0.0004","31.688","0.002","90","","93.358","0.006","90","","1318.12","0.15","291.47","0.1","291.47","0.1","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C15 H12 Br N3 -","- C15 H11 Br N3 -","- C60 H44 Br4 N12 -","4","0.5","","Cai, Zhong-Jian; Lu, Xin-Mou; Zi, You; Yang, Chao; Shen, Ling-Jie; Li, Jian; Wang, Shun-Yi; Ji, Shun-Jun","I2/TBPB Mediated Oxidative Reaction of N-Tosylhydrazones with Anilines: Practical Construction of 1,4-Disubstituted 1,2,3-Triazoles under Metal-Free and Azide-Free Conditions.","Organic letters","2014","16","19","5108","5111","10.1021/ol502431b","","","0.71073","MoKα","","0.0945","0.0712","","","0.1841","0.2115","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517831","9.4179","0.001","9.952","0.0012","11.0905","0.0012","94.288","0.009","108.773","0.009","108.953","0.01","912","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 Br -","- C24 H19 Br -","- C48 H38 Br2 -","2","1","","Wang, Minyan; Li, Jing; Fu, Chunling; Ma, Shengming","Electrophilic Cyclizations of Diaryl-2,3-allenyl Ethers with N-Bromosuccinimide: En Route to 2-Bromonaphthalenes.","Organic letters","2014","16","19","4976","4979","10.1021/ol502100k","","","0.71073","MoKα","","0.083","0.0506","","","0.0925","0.1133","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517839","11.559","0.002","15.64","0.003","21.53","0.004","90","","90","","90","","3892.3","1.2","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H52 N6 O10 -","- C39 H52 N6 O10 -","- C156 H208 N24 O40 -","4","1","","Goodreid, Jordan D.; Wong, Keith; Leung, Elisa; McCaw, Shannon E.; Gray-Owen, Scott D; Lough, Alan; Houry, Walid A.; Batey, Robert A.","Total Synthesis and Antibacterial Testing of the A54556 Cyclic Acyldepsipeptides Isolated from Streptomyces hawaiiensis.","Journal of natural products","2014","77","10","2170","2181","10.1021/np500158q","","","1.54178","CuKα","","0.0336","0.033","","","0.089","0.0896","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517842","14.659","0.0009","12.4208","0.0004","20.7836","0.0009","90","","108.784","0.003","90","","3582.7","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H53 B N P -","- C40 H53 B N P -","- C160 H212 B4 N4 P4 -","4","1","","Erker, G.; Kehr, Gerald; Daniliuc, Constantin Gabriel; Mück-Lichtenfeld, Christian; Chen, Guo-Qiang; Moquist, Philip; Bussmann, Kathrin","α-CH Acidity of Alkyl-B(C6F5)2 Compounds ‒ the Role of Stabilized Borataalkene Formation in Frustrated Lewis Pair Chemistry","Chem. Sci.","2014","","","","","10.1039/C4SC01711K","","","1.54178","CuKα","","0.0854","0.0545","","","0.1259","0.1463","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517843","14.7651","0.0004","17.3362","0.0004","23.4491","0.0003","90","","90","","90","","6002.3","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H58 B2 F20 P2 -","- C63 H58 B2 F20 P2 -","- C252 H232 B8 F80 P8 -","4","1","","Erker, G.; Kehr, Gerald; Daniliuc, Constantin Gabriel; Mück-Lichtenfeld, Christian; Chen, Guo-Qiang; Moquist, Philip; Bussmann, Kathrin","α-CH Acidity of Alkyl-B(C6F5)2 Compounds ‒ the Role of Stabilized Borataalkene Formation in Frustrated Lewis Pair Chemistry","Chem. Sci.","2014","","","","","10.1039/C4SC01711K","","","1.54178","CuKα","","0.0352","0.0337","","","0.08","0.0812","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517844","10.067","0.0007","11.7645","0.0011","13.4704","0.0013","109.385","0.003","97.336","0.005","114.39","0.005","1303.9","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H18 B F10 P -","- C29 H18 B F10 P -","- C58 H36 B2 F20 P2 -","2","1","","Erker, G.; Kehr, Gerald; Daniliuc, Constantin Gabriel; Mück-Lichtenfeld, Christian; Chen, Guo-Qiang; Moquist, Philip; Bussmann, Kathrin","α-CH Acidity of Alkyl-B(C6F5)2 Compounds ‒ the Role of Stabilized Borataalkene Formation in Frustrated Lewis Pair Chemistry","Chem. Sci.","2014","","","","","10.1039/C4SC01711K","","","1.54178","CuKα","","0.0364","0.0351","","","0.0935","0.0946","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517845","9.1195","0.0003","19.955","0.0005","18.047","0.0005","90","","91.39","0.002","90","","3283.22","0.16","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 B F10 P -","- C35 H30 B F10 P -","- C140 H120 B4 F40 P4 -","4","1","","Erker, G.; Kehr, Gerald; Daniliuc, Constantin Gabriel; Mück-Lichtenfeld, Christian; Chen, Guo-Qiang; Moquist, Philip; Bussmann, Kathrin","α-CH Acidity of Alkyl-B(C6F5)2 Compounds ‒ the Role of Stabilized Borataalkene Formation in Frustrated Lewis Pair Chemistry","Chem. Sci.","2014","","","","","10.1039/C4SC01711K","","","1.54178","CuKα","","0.0463","0.0434","","","0.1176","0.1198","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517846","25.474","0.0007","12.5753","0.0003","19.1732","0.0004","90","","109.881","0.002","90","","5775.9","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 B F10 P -","- C25 H26 B F10 P -","- C200 H208 B8 F80 P8 -","8","1","","Erker, G.; Kehr, Gerald; Daniliuc, Constantin Gabriel; Mück-Lichtenfeld, Christian; Chen, Guo-Qiang; Moquist, Philip; Bussmann, Kathrin","α-CH Acidity of Alkyl-B(C6F5)2 Compounds ‒ the Role of Stabilized Borataalkene Formation in Frustrated Lewis Pair Chemistry","Chem. Sci.","2014","","","","","10.1039/C4SC01711K","","","1.54178","CuKα","","0.0487","0.0392","","","0.1018","0.1069","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517847","12.5635","0.0006","21.3915","0.0009","7.2398","0.0004","90","","99.334","0.004","90","","1919.95","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Peng, Xing-Rong; Liu, Jie-Qing; Wan, Luo-Sheng; Li, Xiao-Nian; Yan, Yu-Xin; Qiu, Ming-Hua","Four New Polycyclic Meroterpenoids from Ganoderma cochlear.","Organic letters","2014","16","20","5262","5265","10.1021/ol5023189","","","1.54178","CuKα","","0.2671","0.1731","","","0.3829","0.483","","","","","","1.729","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517848","38.5889","0.0017","38.5889","0.0017","6.4839","0.0003","90","","90","","120","","8361.6","0.6","173","0.1","173","0.1","","","","","","","","4","P 65","P 65","170","","","","- C27 H31 N2 O5 -","- C27 H31 N2 O5 -","- C324 H372 N24 O60 -","12","2","","Ma, Yunxia; Zhang, Gen; Zhang, Jinlong; Yang, Dongxu; Wang, Rui","Organocatalyzed Asymmetric Oxidative Coupling of α-Csp(3)-H of Tertiary Amines to α,β-Unsaturated γ-Butyrolactam: Synthesis of MBH-Type Products.","Organic letters","2014","16","20","5358","5361","10.1021/ol5025597","","","1.54184","CuKα","","0.106","0.0898","","","0.2453","0.2669","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517860","7.366","0.004","8.121","0.004","36.109","0.017","90","","90","","90","","2160","1.9","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl2 N2 O S2 -","- C23 H16 Cl2 N2 O S2 -","- C92 H64 Cl8 N8 O4 S8 -","4","1","","Liu, Wenju; Li, Ziyong; Hu, Fang; Yin, Jun; Yu, Guang-Ao; Liu, Sheng Hua","Chemical control of photochromism and a multiresponsive molecular switch based on a diarylethene derivative containing naphthol.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","12","1773","1780","10.1039/c4pp00093e","","","0.71073","MoKα","","0.0999","0.0721","","","0.1689","0.1774","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517866","8.618","0.001","16.963","0.001","10.051","0.001","90","","95.087","0.003","90","","1463.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(1,2,3,8a,9,9a,10,10a-octahydroanthracen-9-yl)morpholine","","- C18 H23 N O -","- C18 H23 N O -","- C72 H92 N4 O4 -","4","1","","Gobé, Valérian; Retailleau, Pascal; Guinchard, Xavier","Domino Formation of Enamines - Intramolecular Cyclizations to 1-Aminotetralins from γ-Arylallene Aldehydes and Amines.","Organic letters","2014","16","20","5438","5441","10.1021/ol5026712","","","0.71073","MoKα","","0.0871","0.0486","","","0.1168","0.1386","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517867","12.7827","0.0008","12.7827","0.0008","13.7419","0.0018","90","","90","","90","","2245.4","0.4","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C27 H22 Cl N O4 -","- C27 H20 Cl N O4 -","- C108 H80 Cl4 N4 O16 -","4","1","","He, Zhao-Lin; Liu, Tang-Lin; Tao, Haiyan; Wang, Chun-Jiang","Correction to A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Oxidation.","Organic letters","2014","16","20","5506","5507","10.1021/ol5025458","","","0.71073","MoKα","","0.0434","0.032","","","0.074","0.0806","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517868","8.9427","0.0014","24.682","0.004","9.8606","0.0016","90","","97.843","0.002","90","","2156.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl N O4 -","- C23 H24 Cl N O4 -","- C92 H96 Cl4 N4 O16 -","4","1","","He, Zhao-Lin; Liu, Tang-Lin; Tao, Haiyan; Wang, Chun-Jiang","Correction to A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Oxidation.","Organic letters","2014","16","20","5506","5507","10.1021/ol5025458","","","0.71073","MoKα","","0.0641","0.045","","","0.0965","0.1077","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517890","10.369","0.007","5.883","0.009","12.35","0.008","90","","102.52","0.01","90","","735.4","1.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H24 N0 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Yin, Guo-Ping; Li, Liang-Chun; Zhang, Qing-Zhe; An, Yue-Wei; Zhu, Jing-Jing; Wang, Zhi-Min; Chou, Gui-Xin; Wang, Zheng-Tao","iNOS Inhibitory Activity of Sesquiterpenoids and a Monoterpenoid from the Rhizomes of Curcuma wenyujin.","Journal of natural products","2014","77","10","2161","2169","10.1021/np400984c","","","1.54178","CuKα","","0.0569","0.0538","","","0.1478","0.1565","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517891","5.7842","0.0015","9.566","0.003","15.111","0.004","98.405","0.004","95.963","0.004","104.965","0.004","790.3","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","","Peng, Xianglong; Wang, Weiguo; Jiang, Chao; Sun, Di; Xu, Zhenghu; Tung, Chen-Ho","Strain-promoted oxidative annulation of arynes and cyclooctynes with benzamides: palladium-catalyzed C-h/n-h activation for the synthesis of N-heterocycles.","Organic letters","2014","16","20","5354","5357","10.1021/ol5025426","","","0.71073","MOKα","","0.0678","0.0452","","","0.1184","0.1354","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517896","11.536","0.0002","19.2745","0.0003","8.1119","0.0001","90","","90","","90","","1803.69","0.05","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Alstoumerine oxindole","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Tan, Shin-Jowl; Lim, Jun-Lee; Low, Yun-Yee; Sim, Kae-Shin; Lim, Siew-Huah; Kam, Toh-Seok","Oxidized Derivatives of Macroline, Sarpagine, and Pleiocarpamine Alkaloids from Alstonia angustifolia.","Journal of natural products","2014","77","9","2068","2080","10.1021/np500439u","","","0.71073","MoKα","","0.067","0.0444","","","0.0815","0.0912","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517897","9.7811","0.0007","12.2584","0.0008","17.0772","0.0013","90","","90","","90","","2047.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Alstonoxine E","","","- C19 H25 Cl3 N2 O3 -","- C19 H25 Cl3 N2 O3 -","- C76 H100 Cl12 N8 O12 -","4","1","","Tan, Shin-Jowl; Lim, Jun-Lee; Low, Yun-Yee; Sim, Kae-Shin; Lim, Siew-Huah; Kam, Toh-Seok","Oxidized Derivatives of Macroline, Sarpagine, and Pleiocarpamine Alkaloids from Alstonia angustifolia.","Journal of natural products","2014","77","9","2068","2080","10.1021/np500439u","","","0.71073","MoKα","","0.0672","0.0487","","","0.1142","0.1253","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517898","6.2545","0.0004","8.1557","0.0006","34.847","0.002","90","","90","","90","","1777.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Wang, Song; Li, Rui-Juan; Zhu, Rong-Xiu; Hu, Xiao-Yan; Guo, Yan-Xia; Zhou, Jin-Chuan; Lin, Zhao-Min; Zhang, Jiao-Zhen; Wu, Jing-Yi; Kang, Ya-Qi; Morris-Natschke, Susan L; Lee, Kuo-Hsiung; Yuan, Hui-Qing; Lou, Hong-Xiang","Notolutesins A-J, Dolabrane-Type Diterpenoids from the Chinese Liverwort Notoscyphus lutescens.","Journal of natural products","2014","77","9","2081","2087","10.1021/np5004559","","","0.71069","MoKα","","0.0553","0.0472","","","0.1409","0.1496","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517899","6.6543","0.0003","10.1234","0.0004","30.056","0.0011","90","","93.254","0.001","90","","2021.43","0.14","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H30 B18 Co Na O4 -","- C4 H30 B18 Co Na O4 -","- C16 H120 B72 Co4 Na4 O16 -","4","1","","Brus, Jiri; Zhigunov, Alexander; Czernek, Jiří; Kobera, Libor; Uchman, Mariusz; Matějíček, Pavel","Control over the Self-Assembly and Dynamics of Metallacarborane Nanorotors by the Nature of the Polymer Matrix: A Solid-State NMR Study","Macromolecules","2014","47","18","6343","","10.1021/ma501117a","","","0.71073","MoKα","","0.0338","0.0319","","","0.0752","0.0761","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517900","14.053","0.002","6.2308","0.0009","14.438","0.002","90","","95.626","0.003","90","","1258.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H24 Br Cl O6 -","- C28 H24 Br Cl O6 -","- C56 H48 Br2 Cl2 O12 -","2","1","","Meninno, Sara; Fuoco, Tiziana; Tedesco, Consiglia; Lattanzi, Alessandra","Straightforward Enantioselective Access to γ-Butyrolactones Bearing an All-Carbon β-Quaternary Stereocenter.","Organic letters","2014","16","18","4746","4749","10.1021/ol502148a","","","0.71073","MoKα","","0.1182","0.0608","","","0.132","0.1902","","","","","","0.75","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517901","12.5831","0.0017","38.828","0.005","10.3741","0.0014","90","","126.514","0.009","90","","4073.6","1.1","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C216 H168 N8 O16 -","8","2","","Zhang, Xuan; Si, Weili; Bao, Ming; Asao, Naoki; Yamamoto, Yoshinori; Jin, Tienan","Rh(III)-Catalyzed Regioselective Functionalization of C-H Bonds of Naphthylcarbamates for Oxidative Annulation with Alkynes.","Organic letters","2014","16","18","4830","4833","10.1021/ol502317c","","","0.71075","MoKα","","","0.0386","","","","0.0929","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517902","9.21223","0.00017","14.5512","0.0003","10.45244","0.00019","90","","96.9989","0.0007","90","","1390.7","0.05","213","","213","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 -","- C17 H14 N2 -","- C68 H56 N8 -","4","1","","Aoki, Yoshiaki; Matsuki, Nobuo; Mori, Tadashi; Ikeda, Hiroshi; Inoue, Yoshihisa","Exciplex ensemble modulated by excitation mode in intramolecular charge-transfer dyad: effects of temperature, solvent polarity, and wavelength on photochemistry and photophysics of tethered naphthalene-dicyanoethene system.","Organic letters","2014","16","18","4888","4891","10.1021/ol502394g","","","1.54187","CuKα","","","0.0601","","","","0.1904","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517903","13.439","0.0003","7.57747","0.00014","28.7493","0.0006","90","","97.2127","0.0011","90","","2904.48","0.1","213","","213","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C144 H128 N16 -","8","1","","Aoki, Yoshiaki; Matsuki, Nobuo; Mori, Tadashi; Ikeda, Hiroshi; Inoue, Yoshihisa","Exciplex ensemble modulated by excitation mode in intramolecular charge-transfer dyad: effects of temperature, solvent polarity, and wavelength on photochemistry and photophysics of tethered naphthalene-dicyanoethene system.","Organic letters","2014","16","18","4888","4891","10.1021/ol502394g","","","1.54187","CuKα","","","0.0529","","","","0.1461","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517904","6.4278","0.0008","20.659","0.003","26.404","0.003","90","","90","","90","","3506.2","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H42 O5 -","- C46 H42 O5 -","- C184 H168 O20 -","4","1","","Spangler, Jillian E.; Lian, Yajing; Raikar, Sandeep N.; Davies, Huw M. L.","Synthesis of Complex Hexacyclic Compounds via a Tandem Rh(II)-Catalyzed Double-Cyclopropanation/Cope Rearrangement/Diels-Alder Reaction.","Organic letters","2014","16","18","4794","4797","10.1021/ol502257d","","","1.5418","CuKα","","0.03","0.0277","","","0.066","0.0679","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517905","6.0234","0.0001","10.8338","0.0003","37.8963","0.0008","90","","90","","90","","2472.97","0.1","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O3 Si -","- C27 H34 O3 Si -","- C108 H136 O12 Si4 -","4","1","","Spangler, Jillian E.; Lian, Yajing; Raikar, Sandeep N.; Davies, Huw M. L.","Synthesis of Complex Hexacyclic Compounds via a Tandem Rh(II)-Catalyzed Double-Cyclopropanation/Cope Rearrangement/Diels-Alder Reaction.","Organic letters","2014","16","18","4794","4797","10.1021/ol502257d","","","0.71073","MoKα","","0.0562","0.0432","","","0.0929","0.0985","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517906","8.049","0.002","14.884","0.005","16.221","0.007","90","","90","","90","","1943.3","1.2","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 N2 O Se -","- C23 H18 N2 O Se -","- C92 H72 N8 O4 Se4 -","4","1","","Iwasaki, Masayuki; Tsuchiya, Yuta; Nakajima, Kiyohiko; Nishihara, Yasushi","Chelate-assisted direct selenation of aryl C-h bonds with diselenides catalyzed by palladium.","Organic letters","2014","16","18","4920","4923","10.1021/ol502439m","","","0.71075","MoKα","","0.0776","0.0559","","","0.1279","0.1402","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517907","7.6582","0.0004","6.5979","0.0003","26.7169","0.0014","90","","96.346","0.002","90","","1341.68","0.12","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H42 O4 -","- C30 H42 O4 -","- C60 H84 O8 -","2","1","","Qi, Qiu-Yue; Bao, Li; Ren, Jin-Wei; Han, Jun-Jie; Zhang, Zong-Yao; Li, Yi; Yao, Yi-Jian; Cao, Rui; Liu, Hong-Wei","Sterhirsutins A and B, Two New Heterodimeric Sesquiterpenes with a New Skeleton from the Culture of Stereum hirsutum Collected in Tibet Plateau.","Organic letters","2014","16","19","5092","5095","10.1021/ol502441n","","","0.71073","MoKα","","0.0542","0.0424","","","0.1013","0.1074","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517908","12.7999","0.0009","27.2648","0.0016","7.9116","0.0006","90","","90","","90","","2761","0.3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C120 H168 O20 -","4","1","","Qi, Qiu-Yue; Bao, Li; Ren, Jin-Wei; Han, Jun-Jie; Zhang, Zong-Yao; Li, Yi; Yao, Yi-Jian; Cao, Rui; Liu, Hong-Wei","Sterhirsutins A and B, Two New Heterodimeric Sesquiterpenes with a New Skeleton from the Culture of Stereum hirsutum Collected in Tibet Plateau.","Organic letters","2014","16","19","5092","5095","10.1021/ol502441n","","","0.71073","MoKα","","0.0592","0.0425","","","0.0965","0.1039","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517909","10.8259","0.0006","13.7106","0.0004","15.0874","0.0008","90","","129.379","0.003","90","","1730.99","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Br N O3 -","- C20 H14 Br N O3 -","- C80 H56 Br4 N4 O12 -","4","1","","Zheng, Chenguang; Yao, Weijun; Zhang, Yucheng; Ma, Cheng","Chiral Spirooxindole-Butenolide Synthesis through Asymmetric N-Heterocyclic Carbene-Catalyzed Formal (3 + 2) Annulation of 3-Bromoenals and Isatins.","Organic letters","2014","16","19","5028","5031","10.1021/ol502365r","","","0.71073","MoKα","","0.0647","0.0412","","","0.0823","0.0915","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517910","15.4159","0.00012","15.4159","0.00012","15.6014","0.0002","90","","90","","90","","3707.67","0.06","293","2","293","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Zheng, Chenguang; Yao, Weijun; Zhang, Yucheng; Ma, Cheng","Chiral Spirooxindole-Butenolide Synthesis through Asymmetric N-Heterocyclic Carbene-Catalyzed Formal (3 + 2) Annulation of 3-Bromoenals and Isatins.","Organic letters","2014","16","19","5028","5031","10.1021/ol502365r","","","1.54184","CuKα","","0.0524","0.0505","","","0.1498","0.1529","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517911","10.0048","0.0008","12.7119","0.001","14.1663","0.0011","85.332","0.004","89.835","0.004","72.674","0.004","1713.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H34 N O2.5 P -","- C37.5 H34 N O2.5 P -","- C75 H68 N2 O5 P2 -","2","1","","Bhunia, Anup; Roy, Tony; Gonnade, Rajesh G.; Biju, Akkattu T.","Rapid access to benzoxaphospholes and their spiro analogues by a three-component coupling involving arynes, phosphines, and activated ketones.","Organic letters","2014","16","19","5132","5135","10.1021/ol502490t","","","0.71073","MoKα","","0.0788","0.0692","","","0.2119","0.2214","","","","","","1.126","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517912","12.3316","0.0008","10.387","0.0007","20.2159","0.0013","90","","100.383","0.004","90","","2547","0.3","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C32 H24 As F3 O -","- C32 H24 As F3 O -","- C128 H96 As4 F12 O4 -","4","2","","Bhunia, Anup; Roy, Tony; Gonnade, Rajesh G.; Biju, Akkattu T.","Rapid access to benzoxaphospholes and their spiro analogues by a three-component coupling involving arynes, phosphines, and activated ketones.","Organic letters","2014","16","19","5132","5135","10.1021/ol502490t","","","0.71073","MoKα","","0.0485","0.0342","","","0.0736","0.0794","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517913","12.0989","0.001","15.5163","0.0019","13.4788","0.001","90","","90.135","0.001","90","","2530.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 F3 O P -","- C32 H24 F3 O P -","- C128 H96 F12 O4 P4 -","4","1","","Bhunia, Anup; Roy, Tony; Gonnade, Rajesh G.; Biju, Akkattu T.","Rapid access to benzoxaphospholes and their spiro analogues by a three-component coupling involving arynes, phosphines, and activated ketones.","Organic letters","2014","16","19","5132","5135","10.1021/ol502490t","","","0.71073","MoKα","","0.0581","0.0504","","","0.1216","0.1265","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517914","7.9543","0.0008","14.7777","0.0015","16.5747","0.0017","90","","91.073","0.002","90","","1948","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ethyl 2-(3-isopropylquinolin-2-yl)-2-methyl-3-oxo-3-phenylpropanoate","","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C96 H100 N4 O12 -","4","1","","Selig, Philipp; Raven, William","A Convenient Allenoate-Based Synthesis of 2-Quinolin-2-yl Malonates and β-Ketoesters","Organic letters","2014","16","19","5192","5195","10.1021/ol502554e","","","0.71073","MoKα","","0.0671","0.0426","","","0.0913","0.1023","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517915","8.6857","0.0004","5.5312","0.0003","26.9976","0.0015","90","","95.174","0.005","90","","1291.74","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Br N3 O -","- C13 H12 Br N3 O -","- C52 H48 Br4 N12 O4 -","4","1","","Guo, Jiawei; Yu, Binxun; Wang, Ya-Nan; Duan, Dongyu; Ren, Li-Li; Gao, Ziwei; Gou, Jing","Conversion of 2-Furylcarbinols with Alkyl or Aryl Azides to Highly Functionalized 1,2,3-Triazoles via Cascade Formal [3 + 2] Cycloaddition/Ring-Opening.","Organic letters","2014","16","19","5088","5091","10.1021/ol502437y","","","0.71073","MoKα","","0.1277","0.0525","","","0.0953","0.1164","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517916","31.114","0.003","31.114","0.003","5.4546","0.0005","90","","90","","120","","4573","0.8","293","2","293","2","","","","","","","","4","R -3","-R 3","148","","","","- C9 H13 N3 O -","- C9 H13 N3 O -","- C162 H234 N54 O18 -","18","","","Guo, Jiawei; Yu, Binxun; Wang, Ya-Nan; Duan, Dongyu; Ren, Li-Li; Gao, Ziwei; Gou, Jing","Conversion of 2-Furylcarbinols with Alkyl or Aryl Azides to Highly Functionalized 1,2,3-Triazoles via Cascade Formal [3 + 2] Cycloaddition/Ring-Opening.","Organic letters","2014","16","19","5088","5091","10.1021/ol502437y","","","0.71073","MoKα","","0.1174","0.0667","","","0.167","0.1962","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517917","8.019","0.0003","11.1616","0.0004","13.3763","0.0005","90","","103.822","0.004","90","","1162.57","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BN","","","- C11 H12 B Cr N O3 -","- C11 H12 B Cr N O3 -","- C44 H48 B4 Cr4 N4 O12 -","4","1","","Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong","Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene.","Organic letters","2014","16","19","5024","5027","10.1021/ol502339h","","","0.71073","MoKα","","0.0359","0.0307","","","0.0805","0.0835","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517918","4.4427","0.0002","11.8161","0.0004","16.0682","0.0005","90","","96.147","0.003","90","","838.66","0.05","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 B I N -","- C8 H7 B I N -","- C32 H28 B4 I4 N4 -","4","1","","Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong","Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene.","Organic letters","2014","16","19","5024","5027","10.1021/ol502339h","","","0.71073","MOKα","","0.0266","0.0242","","","0.0569","0.0579","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517919","8.1251","0.0006","10.572","0.0005","11.2739","0.0007","90","","107.185","0.007","90","","925.18","0.11","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dibromide","","","- C8 H6 B Br2 N -","- C8 H6 B Br2 N -","- C32 H24 B4 Br8 N4 -","4","1","","Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong","Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene.","Organic letters","2014","16","19","5024","5027","10.1021/ol502339h","","","0.71073","MoKα","","0.0643","0.0462","","","0.1018","0.1124","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517920","7.3708","0.0008","28.754","0.003","12.9255","0.0012","90","","90","","90","","2739.4","0.5","446","2","446","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-(1-naphthyl)-4a,8a-azaboranaphthalene","","","- C18 H14 B N -","- C18 H14 B N -","- C144 H112 B8 N8 -","8","1","","Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong","Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene.","Organic letters","2014","16","19","5024","5027","10.1021/ol502339h","","","0.71073","MoKα","","0.2202","0.1417","","","0.3326","0.3889","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517921","12.816","0.001","7.3282","0.0006","17.716","0.002","90","","90","","90","","1663.9","0.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Boron nitrogen hydroxide","","","- C8 H14 B N O -","- C8 H14 B N O -","- C64 H112 B8 N8 O8 -","8","2","","Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong","Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene.","Organic letters","2014","16","19","5024","5027","10.1021/ol502339h","","","0.71073","MoKα","","0.0663","0.0519","","","0.1008","0.1074","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517922","7.4431","0.001","8.2141","0.0005","14.5825","0.0016","88.312","0.007","75.902","0.01","88.824","0.008","864.24","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 B Cl2 N -","- C8 H6 B Cl2 N -","- C32 H24 B4 Cl8 N4 -","4","2","","Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong","Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene.","Organic letters","2014","16","19","5024","5027","10.1021/ol502339h","","","0.71073","MoKα","","0.0751","0.0615","","","0.1488","0.1601","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517923","18.6948","0.0004","7.70147","0.00015","26.3894","0.0006","90","","90","","90","","3799.48","0.14","180.1","0.6","180.1","0.6","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H21 Br F N O2 S -","- C20 H21 Br F N O2 S -","- C160 H168 Br8 F8 N8 O16 S8 -","8","1","","Romanov-Michailidis, Fedor; Pupier, Marion; Besnard, Céline; Bürgi, Thomas; Alexakis, Alexandre","Enantioselective Catalytic Fluorinative Aza-semipinacol Rearrangement.","Organic letters","2014","16","19","4988","4991","10.1021/ol5022355","","","1.54184","CuKα","","0.0387","0.0329","","","0.0858","0.0908","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517924","6.1206","0.0002","14.3568","0.0004","10.8114","0.0003","90","","97.956","0.001","90","","940.88","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O7 -","- C21 H24 N2 O7 -","- C42 H48 N4 O14 -","2","1","","Zhou, Min; Miao, Ming-Ming; Du, Gang; Li, Xiao-Nian; Shang, Shan-Zhai; Zhao, Wei; Liu, Zhi-Hua; Yang, Guang-Yu; Che, Chun-Tao; Hu, Qiu-Fen; Gao, Xue-Mei","Aspergillines A-E, Highly Oxygenated Hexacyclic Indole-Tetrahydrofuran-Tetramic Acid Derivatives from Aspergillus versicolor.","Organic letters","2014","16","19","5016","5019","10.1021/ol502307u","","","1.54178","CuKα","","0.0376","0.0376","","","0.1112","0.1112","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517925","8.8619","0.0005","7.5272","0.0005","12.6082","0.0008","90","","90.851","0.003","90","","840.94","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C38 H40 N4 O12 -","2","1","","Zhou, Min; Miao, Ming-Ming; Du, Gang; Li, Xiao-Nian; Shang, Shan-Zhai; Zhao, Wei; Liu, Zhi-Hua; Yang, Guang-Yu; Che, Chun-Tao; Hu, Qiu-Fen; Gao, Xue-Mei","Aspergillines A-E, Highly Oxygenated Hexacyclic Indole-Tetrahydrofuran-Tetramic Acid Derivatives from Aspergillus versicolor.","Organic letters","2014","16","19","5016","5019","10.1021/ol502307u","","","1.54178","CuKα","","0.0832","0.0828","","","0.2086","0.2099","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517926","7.5133","0.001","11.8014","0.0015","13.2452","0.0017","99.186","0.001","103.968","0.001","99.535","0.001","1099.2","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","4,4'-Dihexyloxyazobenzene","","","- C24 H34 N2 O2 -","- C24 H34 N2 O2 -","- C48 H68 N4 O4 -","2","1","","Norikane, Yasuo; Uchida, Emi; Tanaka, Satoko; Fujiwara, Kyoko; Koyama, Emiko; Azumi, Reiko; Akiyama, Haruhisa; Kihara, Hideyuki; Yoshida, Masaru","Photoinduced Crystal-to-Liquid Phase Transitions of Azobenzene Derivatives and Their Application in Photolithography Processes through a Solid-Liquid Patterning.","Organic letters","2014","16","19","5012","5015","10.1021/ol502223u","","","0.71073","MoKα","","0.0442","0.039","","","0.1294","0.135","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517927","7.483","0.002","9.48","0.003","24.88","0.007","90","","97.096","0.003","90","","1751.4","0.9","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","4,4'-Didodecyloxy-3-methylazobenzene","","","- C37 H60 N2 O2 -","- C37 H60 N2 O2 -","- C74 H120 N4 O4 -","2","1","","Norikane, Yasuo; Uchida, Emi; Tanaka, Satoko; Fujiwara, Kyoko; Koyama, Emiko; Azumi, Reiko; Akiyama, Haruhisa; Kihara, Hideyuki; Yoshida, Masaru","Photoinduced Crystal-to-Liquid Phase Transitions of Azobenzene Derivatives and Their Application in Photolithography Processes through a Solid-Liquid Patterning.","Organic letters","2014","16","19","5012","5015","10.1021/ol502223u","","","0.71073","MoKα","","0.0867","0.0496","","","0.1431","0.2018","","","","","","0.948","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517928","18.853","0.004","35.929","0.008","7.0005","0.0015","90","","90","","90","","4741.9","1.8","153","2","153","2","","","","","","","","4","C c c 2","C 2 -2c","37","4,4'-Dihexyloxy-3-methylazobenzene","","","- C25 H36 N2 O2 -","- C25 H36 N2 O2 -","- C200 H288 N16 O16 -","8","1","","Norikane, Yasuo; Uchida, Emi; Tanaka, Satoko; Fujiwara, Kyoko; Koyama, Emiko; Azumi, Reiko; Akiyama, Haruhisa; Kihara, Hideyuki; Yoshida, Masaru","Photoinduced Crystal-to-Liquid Phase Transitions of Azobenzene Derivatives and Their Application in Photolithography Processes through a Solid-Liquid Patterning.","Organic letters","2014","16","19","5012","5015","10.1021/ol502223u","","","0.71073","MoKα","","0.1315","0.0565","","","0.1354","0.1729","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517929","9.54","0.004","12.928","0.006","14.473","0.005","112.321","0.005","105.399","0.004","98.301","0.004","1530.6","1.1","183","","183","","","","","","","","","4","P -1","-P 1","2","4,4'-Dedecyloxy-3-methylazobenzene","","","- C33 H52 N2 O2 -","- C33 H52 N2 O2 -","- C66 H104 N4 O4 -","2","1","","Norikane, Yasuo; Uchida, Emi; Tanaka, Satoko; Fujiwara, Kyoko; Koyama, Emiko; Azumi, Reiko; Akiyama, Haruhisa; Kihara, Hideyuki; Yoshida, Masaru","Photoinduced Crystal-to-Liquid Phase Transitions of Azobenzene Derivatives and Their Application in Photolithography Processes through a Solid-Liquid Patterning.","Organic letters","2014","16","19","5012","5015","10.1021/ol502223u","","","0.71073","MoKα","","0.0971","0.0579","","","0.1476","0.1626","","","","","","0.939","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517930","9.497","0.007","18.827","0.013","6.964","0.005","90","","90.454","0.008","90","","1245.1","1.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-Dihexyloxy-3,3'-dimethylazobenzne","","","- C26 H38 N2 O2 -","- C26 H38 N2 O2 -","- C52 H76 N4 O4 -","2","0.5","","Norikane, Yasuo; Uchida, Emi; Tanaka, Satoko; Fujiwara, Kyoko; Koyama, Emiko; Azumi, Reiko; Akiyama, Haruhisa; Kihara, Hideyuki; Yoshida, Masaru","Photoinduced Crystal-to-Liquid Phase Transitions of Azobenzene Derivatives and Their Application in Photolithography Processes through a Solid-Liquid Patterning.","Organic letters","2014","16","19","5012","5015","10.1021/ol502223u","","","0.71073","MoKα","","0.0904","0.0806","","","0.2414","0.2473","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517931","7.985","0.0015","9.3841","0.0019","13.287","0.003","87.148","0.017","73.581","0.018","68.814","0.018","888.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N4 O2 S -","- C18 H16 N4 O2 S -","- C36 H32 N8 O4 S2 -","2","1","","Sheng, Guorong; Huang, Kai; Chi, Zhihao; Ding, Hualong; Xing, Yanpeng; Lu, Ping; Wang, Yanguang","Preparation of 3-Diazoindolin-2-imines via Cascade Reaction between Indoles and Sulfonylazides and Their Extensions to 2,3-Diaminoindoles and Imidazo[4,5-b]indoles.","Organic letters","2014","16","19","5096","5099","10.1021/ol502423k","","","0.71073","MoKα","","0.0851","0.0552","","","0.1328","0.1607","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517932","10.501","0.002","10.7195","0.0015","15.234","0.003","90","","110.08","0.02","90","","1610.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O4 S -","- C16 H15 N3 O4 S -","- C64 H60 N12 O16 S4 -","4","1","","Sheng, Guorong; Huang, Kai; Chi, Zhihao; Ding, Hualong; Xing, Yanpeng; Lu, Ping; Wang, Yanguang","Preparation of 3-Diazoindolin-2-imines via Cascade Reaction between Indoles and Sulfonylazides and Their Extensions to 2,3-Diaminoindoles and Imidazo[4,5-b]indoles.","Organic letters","2014","16","19","5096","5099","10.1021/ol502423k","","","0.71073","MoKα","","0.1734","0.1435","","","0.3836","0.4056","","","","","","1.491","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517933","24.442","0.002","18.0516","0.0014","14.9991","0.0011","90","","95.86","0.008","90","","6583.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N4 O2 S -","- C17 H16 N4 O2 S -","- C272 H256 N64 O32 S16 -","16","4","","Sheng, Guorong; Huang, Kai; Chi, Zhihao; Ding, Hualong; Xing, Yanpeng; Lu, Ping; Wang, Yanguang","Preparation of 3-Diazoindolin-2-imines via Cascade Reaction between Indoles and Sulfonylazides and Their Extensions to 2,3-Diaminoindoles and Imidazo[4,5-b]indoles.","Organic letters","2014","16","19","5096","5099","10.1021/ol502423k","","","0.71073","MoKα","","0.1034","0.0516","","","0.1251","0.1554","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517934","10.383","0.0011","10.0793","0.0011","12.2195","0.0013","90","","93.307","0.008","90","","1276.7","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H32 O7 -","- C29 H32 O7 -","- C58 H64 O14 -","2","1","","Liu, Long; Wang, Cheng-Qian; Liu, Dan; He, Wei-Gang; Xu, Jin-Yi; Lin, Ai-Jun; Yao, He-Quan; Tanabe, Genzoh; Muraoka, Osamu; Xie, Wei-Jia; Wu, Xiao-Ming","Construction of 3,6-Anhydrohexosides via Intramolecular Cyclization of Triflates and Its Application to the Synthesis of Natural Product Isolated from Leaves of Sauropus rostratus.","Organic letters","2014","16","19","5004","5007","10.1021/ol5022838","","","1.54178","CuKα","","0.0382","0.0314","","","0.0879","0.0926","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517935","14.3472","0.0014","17.3099","0.0013","8.191","0.001","90","","90","","90","","2034.2","0.4","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H33 N O7 S -","- C19 H33 N O7 S -","- C76 H132 N4 O28 S4 -","4","1","","Al Hazmi, Ali M.; Sheikh, Nadeem S.; Bataille, Carole J. R.; Al-Hadedi, Azzam A M; Watkin, Sam V.; Luker, Tim J.; Camp, Nicholas P.; Brown, Richard C. D.","trans-2-Tritylcyclohexanol as a Chiral Auxiliary in Permanganate-Mediated Oxidative Cyclization of 2-Methylenehept-5-enoates: Application to the Synthesis of trans-(+)-Linalool Oxide.","Organic letters","2014","16","19","5104","5107","10.1021/ol502454r","","","0.71073","MoKα","","0.0462","0.0393","","","0.0948","0.0979","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517936","9.3223","0.0002","15.4012","0.0003","19.5439","0.0003","90","","90","","90","","2806.01","0.09","120","2","120","2","","","","","","","Ali Al Hazmi","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 F3 O3 -","- C35 H33 F3 O3 -","- C140 H132 F12 O12 -","4","1","","Al Hazmi, Ali M.; Sheikh, Nadeem S.; Bataille, Carole J. R.; Al-Hadedi, Azzam A M; Watkin, Sam V.; Luker, Tim J.; Camp, Nicholas P.; Brown, Richard C. D.","trans-2-Tritylcyclohexanol as a Chiral Auxiliary in Permanganate-Mediated Oxidative Cyclization of 2-Methylenehept-5-enoates: Application to the Synthesis of trans-(+)-Linalool Oxide.","Organic letters","2014","16","19","5104","5107","10.1021/ol502454r","","","0.71073","MoKα","","0.0735","0.0581","","","0.1102","0.119","","","","","","1.133","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517943","8.4774","0.0017","14.219","0.003","15.561","0.003","70.16","0.03","75.47","0.03","83.16","0.03","1706.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","diaminoalkene","(E)-methyl 3-amino-3-(4-bromophenyl)-2-(1,3-dioxoisoindolin-2-yl)acrylate","","- C18 H13 Br N2 O4 -","- C18 H13 Br N2 O4 -","- C72 H52 Br4 N8 O16 -","4","2","","Yuan, Yucheng; Hou, Wenjuan; Zhang-Negrerie, Daisy; Zhao, Kang; Du, Yunfei","Direct Oxidative Coupling of Enamines and Electron-Deficient Amines: TBAI/TBHP-Mediated Synthesis of Substituted Diaminoalkenes under Metal-Free Conditions.","Organic letters","2014","16","20","5410","5413","10.1021/ol5026525","","","0.71073","MoKα","","0.1406","0.0653","","","0.1241","0.1419","","","","","","1.009","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1517944","10.895","0.002","6.6814","0.0015","23.895","0.005","90","","93.14","0.006","90","","1736.8","0.6","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N O2 P -","- C21 H18 N O2 P -","- C84 H72 N4 O8 P4 -","4","1","","Lee, Ansoo; Ahn, Seihwan; Kang, Kyungjun; Seo, Min-Seob; Kim, Yeonjoon; Kim, Woo Youn; Kim, Hyunwoo","Bicyclic Bridgehead Phosphoramidite (Briphos) Ligands with Tunable π-Acceptor Ability and Catalytic Activity in the Rhodium-Catalyzed Conjugate Additions.","Organic letters","2014","16","20","5490","5493","10.1021/ol502772m","","","0.71073","MoKα","","0.0659","0.0419","","","0.0951","0.106","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517945","10.1059","0.0009","20.1867","0.0017","17.7321","0.0016","90","","104.134","0.002","90","","3507.9","0.5","147","2","147","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C83 H64 Cl2 N4 O8 P4 Rh2 -","- C83 H64 Cl2 N4 O8 P4 Rh2 -","- C166 H128 Cl4 N8 O16 P8 Rh4 -","2","1","","Lee, Ansoo; Ahn, Seihwan; Kang, Kyungjun; Seo, Min-Seob; Kim, Yeonjoon; Kim, Woo Youn; Kim, Hyunwoo","Bicyclic Bridgehead Phosphoramidite (Briphos) Ligands with Tunable π-Acceptor Ability and Catalytic Activity in the Rhodium-Catalyzed Conjugate Additions.","Organic letters","2014","16","20","5490","5493","10.1021/ol502772m","","","0.71073","MoKα","","0.0327","0.0277","","","0.0661","0.0683","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517946","6.8338","0.0003","7.2865","0.0003","28.1501","0.0016","90","","90","","90","","1401.72","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O6 -","- C14 H16 O6 -","- C56 H64 O24 -","4","1","","Matviitsuk, Anastassia; Berndt, Falko; Mahrwald, Rainer","Four into one: organocatalyzed stereoselective conjugate addition of unprotected and unactivated carbohydrates.","Organic letters","2014","16","20","5474","5477","10.1021/ol5027443","","","0.71073","MoKα","","0.0548","0.0353","","","0.0506","0.0545","","","","","","0.893","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517947","17.8456","0.0011","5.5103","0.0003","12.4607","0.001","90","","120.958","0.006","90","","1050.76","0.14","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C9 H16 O6 -","- C9 H16 O6 -","- C36 H64 O24 -","4","1","","Matviitsuk, Anastassia; Berndt, Falko; Mahrwald, Rainer","Four into one: organocatalyzed stereoselective conjugate addition of unprotected and unactivated carbohydrates.","Organic letters","2014","16","20","5474","5477","10.1021/ol5027443","","","0.71073","MoKα","","0.0477","0.0454","","","0.1242","0.1267","","","","","","0.914","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517948","10.5974","0.0008","8.8771","0.0006","11.6962","0.0009","90","","93.9888","0.0019","90","","1097.65","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H20 F2 N2 O -","- C29 H20 F2 N2 O -","- C58 H40 F4 N4 O2 -","2","1","","Pusch, Stefan; Opatz, Till","A photochemical one-pot three-component synthesis of tetrasubstituted imidazoles.","Organic letters","2014","16","20","5430","5433","10.1021/ol502667h","","","0.71073","MoKα","","0.0455","0.0382","","","0.0877","0.0938","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517949","8.0593","0.0014","22.292","0.004","25.202","0.006","90","","90","","90","","4527.7","1.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H23 F N2 O -","- C30 H23 F N2 O -","- C240 H184 F8 N16 O8 -","8","1","","Pusch, Stefan; Opatz, Till","A photochemical one-pot three-component synthesis of tetrasubstituted imidazoles.","Organic letters","2014","16","20","5430","5433","10.1021/ol502667h","","","0.71073","MoKα","","0.1532","0.056","","","0.1031","0.1359","","","","","","0.941","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517950","7.2482","0.0001","13.3145","0.0001","20.2206","0.0002","90","","90","","90","","1951.41","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O3 -","- C21 H28 N2 O3 -","- C84 H112 N8 O12 -","4","1","","Han, Wen Bo; Lu, Yan Hua; Zhang, Ai Hua; Zhang, Gao Fei; Mei, Ya Ning; Jiang, Nan; Lei, Xinxiang; Song, Yong Chun; Ng, Seik Weng; Tan, Ren Xiang","Curvulamine, a new antibacterial alkaloid incorporating two undescribed units from a curvularia species.","Organic letters","2014","16","20","5366","5369","10.1021/ol502572g","","","1.54184","CuKα","","0.039","0.037","","","0.1058","0.1086","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517954","15.2874","0.0013","21.91635","0.00083","8.41473","0.00032","90","","88.9643","0.0069","90","","2818.8","0.3","298","","298","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 Cs O14 U2 -","- C16 H31 Cs O14 U2 -","- C64 H124 Cs4 O56 U8 -","4","1","","Vologzhanina, Anna V.; Savchenkov, Anton V.; Dmitrienko, Artem O.; Korlyukov, Alexander A.; Bushmarinov, Ivan S.; Pushkin, Denis V.; Serezhkina, Larisa B.","Electronic Structure of Cesium Butyratouranylate(VI) as Derived from DFT-assisted Powder X-ray Diffraction Data.","The journal of physical chemistry. A","2014","118","41","9745","9752","10.1021/jp507386j","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.015","2.734","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517955","10.0162","0.0017","14.452","0.003","19.359","0.003","90","","97.485","0.003","90","","2778.4","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N8 O7 -","- C10 H10 N8 O7 -","- C80 H80 N64 O56 -","8","1","","Liu, Xiangyu; Su, Zhiyong; Ji, Wenxin; Chen, Sanping; Wei, Qing; Xie, Gang; Yang, Xuwu; Gao, Shengli","Structure, Physicochemical Properties, and Density Functional Theory Calculation of High-Energy-Density Materials Constructed with Intermolecular Interaction: Nitro Group Charge Determines Sensitivity","The Journal of Physical Chemistry C","2014","","","141007164223007","","10.1021/jp5062418","","","0.71073","MoKα","","0.118","0.0543","","","0.1132","0.1387","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517956","9.1481","0.0013","11.429","0.0017","14.247","0.002","86.182","0.003","86.184","0.003","68.419","0.003","1380.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H11 N7 O8 -","- C9 H11 N7 O8 -","- C36 H44 N28 O32 -","4","2","","Liu, Xiangyu; Su, Zhiyong; Ji, Wenxin; Chen, Sanping; Wei, Qing; Xie, Gang; Yang, Xuwu; Gao, Shengli","Structure, Physicochemical Properties, and Density Functional Theory Calculation of High-Energy-Density Materials Constructed with Intermolecular Interaction: Nitro Group Charge Determines Sensitivity","The Journal of Physical Chemistry C","2014","","","141007164223007","","10.1021/jp5062418","","","0.71073","MoKα","","0.1843","0.0647","","","0.0782","0.1013","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517957","18.581","0.003","4.9297","0.0008","26.8","0.004","90","","101.387","0.002","90","","2406.5","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 N6 O6 -","- C9 H8 N6 O6 -","- C72 H64 N48 O48 -","8","1","","Liu, Xiangyu; Su, Zhiyong; Ji, Wenxin; Chen, Sanping; Wei, Qing; Xie, Gang; Yang, Xuwu; Gao, Shengli","Structure, Physicochemical Properties, and Density Functional Theory Calculation of High-Energy-Density Materials Constructed with Intermolecular Interaction: Nitro Group Charge Determines Sensitivity","The Journal of Physical Chemistry C","2014","","","141007164223007","","10.1021/jp5062418","","","0.71073","MoKα","","0.0586","0.048","","","0.1306","0.1384","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517958","9.7042","0.0013","4.9681","0.0007","13.5275","0.0019","90","","93.494","0.002","90","","650.97","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 N6 O7 -","- C8 H12 N6 O7 -","- C16 H24 N12 O14 -","2","1","","Liu, Xiangyu; Su, Zhiyong; Ji, Wenxin; Chen, Sanping; Wei, Qing; Xie, Gang; Yang, Xuwu; Gao, Shengli","Structure, Physicochemical Properties, and Density Functional Theory Calculation of High-Energy-Density Materials Constructed with Intermolecular Interaction: Nitro Group Charge Determines Sensitivity","The Journal of Physical Chemistry C","2014","","","141007164223007","","10.1021/jp5062418","","","0.71073","MoKα","","0.0417","0.0359","","","0.1034","0.1107","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517959","7.0512","0.0008","8.2526","0.0009","10.6656","0.0019","73.101","0.013","82.494","0.012","86.39","0.009","588.55","0.15","294.67","0.1","294.67","0.1","","","","","","","","5","P 1","P 1","1","","","","- C11 H9 Cl N4 O2 -","- C11 H9 Cl N4 O2 -","- C22 H18 Cl2 N8 O4 -","2","2","","Wu, Xiu-Ping; Su, Yan; Gu, Peiming","Catalytic Enantioselective Desymmetrization of 1,3-Diazido-2-propanol via Intramolecular Interception of Alkyl Azides with Diazo(aryl)acetates.","Organic letters","2014","16","20","5339","5341","10.1021/ol502608d","","","0.71","MoKα","","0.0634","0.0509","","","0.1154","0.1356","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517960","6.28391","0.00008","7.30361","0.00008","24.7078","0.0003","90","","90","","90","","1133.97","0.02","294.2","0.2","294.2","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 F N4 O2 -","- C11 H9 F N4 O2 -","- C44 H36 F4 N16 O8 -","4","1","","Wu, Xiu-Ping; Su, Yan; Gu, Peiming","Catalytic Enantioselective Desymmetrization of 1,3-Diazido-2-propanol via Intramolecular Interception of Alkyl Azides with Diazo(aryl)acetates.","Organic letters","2014","16","20","5339","5341","10.1021/ol502608d","","","1.5418","CuKα","","0.0343","0.0341","","","0.093","0.0933","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517961","24.1913","0.0012","6.4335","0.0003","11.2245","0.0006","90","","91.281","0.002","90","","1746.49","0.15","100","","99.99","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H17 N O6 S -","- C19 H17 N O6 S -","- C76 H68 N4 O24 S4 -","4","1","","Engl, Oliver D.; Fritz, Sven P.; Käslin, Alexander; Wennemers, Helma","Organocatalytic route to dihydrocoumarins and dihydroquinolinones in all stereochemical configurations.","Organic letters","2014","16","20","5454","5457","10.1021/ol502697s","","x-ray","0.71073","MoKα","K-L~3~","0.029","0.0269","","","0.0649","0.0661","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517962","15.4148","0.0017","18.67","0.002","15.0377","0.0017","90","","120.833","0.002","90","","3716.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 N6 O6 Pd2 -","- C44 H34 N6 O6 Pd2 -","- C176 H136 N24 O24 Pd8 -","4","0.5","","Yang, Weiguang; Chen, Jiuxi; Huang, Xiaobo; Ding, Jinchang; Liu, Miaochang; Wu, Huayue","Pd-Catalyzed Intramolecular Aerobic Oxidative C-H Amination of 2-Aryl-3-(arylamino)quinazolinones: Synthesis of Fluorescent Indazolo[3,2-b]quinazolinones.","Organic letters","2014","16","20","5418","5421","10.1021/ol5026553","","","0.71073","MoKα","","0.0312","0.0276","","","0.074","0.0767","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517968","12.9385","0.0001","7.6586","0.0001","13.3685","0.0002","90","","117.233","0.001","90","","1177.86","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H34 O9 -","- C27 H34 O9 -","- C54 H68 O18 -","2","1","","Liu, Cui-Ping; Xu, Jin-Biao; Han, Ying-Shan; Wainberg, Mark A.; Yue, Jian-Min","Trichiconins A-C, Limonoids with New Carbon Skeletons from Trichilia connaroides.","Organic letters","2014","16","20","5478","5481","10.1021/ol5027552","","","1.54178","CuKα","","0.0375","0.0372","","","0.0971","0.0975","","","","","","0.955","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517969","12.9928","0.0002","8.2074","0.0001","13.2455","0.0002","90","","99.287","0.001","90","","1393.95","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H36 O10 -","- C29 H36 O10 -","- C58 H72 O20 -","2","1","","Liu, Cui-Ping; Xu, Jin-Biao; Han, Ying-Shan; Wainberg, Mark A.; Yue, Jian-Min","Trichiconins A-C, Limonoids with New Carbon Skeletons from Trichilia connaroides.","Organic letters","2014","16","20","5478","5481","10.1021/ol5027552","","","1.54178","CuKα","","0.0299","0.0296","","","0.0773","0.0777","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517973","10.7291","0.0002","14.4847","0.0003","26.2864","0.0005","90","","90","","90","","4085.11","0.14","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H48 Cl2 O4 P2 Rh2 -","- C41 H48 Cl2 O4 P2 Rh2 -","- C164 H192 Cl8 O16 P8 Rh8 -","4","1","","Sieber, Joshua D.; Chennamadhavuni, Divya; Fandrick, Keith R.; Qu, Bo; Han, Zhengxu S.; Savoie, Jolaine; Ma, Shengli; Samankumara, Lalith P.; Grinberg, Nelu; Lee, Heewon; Song, Jinhua J.; Senanayake, Chris H.","Development of New P-Chiral P,π-Dihydrobenzooxaphosphole Hybrid Ligands for Asymmetric Catalysis.","Organic letters","2014","16","20","5494","5497","10.1021/ol5027798","","","1.54178","CuKα","","0.0249","0.0227","","","0.0622","0.0729","","","","","","0.9677","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517974","24.2923","0.0014","10.3638","0.0004","15.5395","0.0006","90","","117.38","0.005","90","","3474","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Cl4 N4 -","- C40 H30 Cl4 N4 -","- C160 H120 Cl16 N16 -","4","0.5","","Huang, Jau-Jiun; Leung, Man-Kit; Chiu, Tien-Lung; Chuang, Ya-Ting; Chou, Pi-Tai; Hung, Yu-Hsiang","Novel Benzimidazole Derivatives as Electron-Transporting Type Host To Achieve Highly Efficient Sky-Blue Phosphorescent Organic Light-Emitting Diode (PHOLED) Device.","Organic letters","2014","16","20","5398","5401","10.1021/ol502602t","","","0.71073","MoKα","","0.0716","0.0477","","","0.1144","0.1305","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517975","12.4127","0.001","9.7948","0.0008","15.3247","0.0013","90","","90.878","0.007","90","","1863","0.3","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C100 H72 N8 -","4","2","","Huang, Jau-Jiun; Leung, Man-Kit; Chiu, Tien-Lung; Chuang, Ya-Ting; Chou, Pi-Tai; Hung, Yu-Hsiang","Novel Benzimidazole Derivatives as Electron-Transporting Type Host To Achieve Highly Efficient Sky-Blue Phosphorescent Organic Light-Emitting Diode (PHOLED) Device.","Organic letters","2014","16","20","5398","5401","10.1021/ol502602t","","","1.54178","CuKα","","0.0819","0.0529","","","0.1113","0.1275","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517976","11.1288","0.0011","20.891","0.002","13.4526","0.0013","90","","111.287","0.001","90","","2914.2","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N O4 S Si -","- C29 H45 N O4 S Si -","- C116 H180 N4 O16 S4 Si4 -","4","2","","Jiang, Shi-Zhi; Lei, Ting; Wei, Kun; Yang, Yu-Rong","Collective total synthesis of tetracyclic diquinane lycopodium alkaloids (+)-paniculatine, (-)-magellanine, (+)-magellaninone and analogues thereof.","Organic letters","2014","16","21","5612","5615","10.1021/ol502679v","","","0.71073","MoKα","","0.051","0.0431","","","0.1052","0.1093","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517977","7.3932","0.0007","10.0902","0.0009","28.435","0.003","90","","90","","90","","2121.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O5 S -","- C23 H31 N O5 S -","- C92 H124 N4 O20 S4 -","4","1","","Jiang, Shi-Zhi; Lei, Ting; Wei, Kun; Yang, Yu-Rong","Collective total synthesis of tetracyclic diquinane lycopodium alkaloids (+)-paniculatine, (-)-magellanine, (+)-magellaninone and analogues thereof.","Organic letters","2014","16","21","5612","5615","10.1021/ol502679v","","","0.71073","MoKα","","0.0383","0.0347","","","0.086","0.088","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517978","6.6647","0.0007","8.0882","0.0008","40.025","0.004","90","","90","","90","","2157.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O4 S -","- C23 H31 N O4 S -","- C92 H124 N4 O16 S4 -","4","1","","Jiang, Shi-Zhi; Lei, Ting; Wei, Kun; Yang, Yu-Rong","Collective total synthesis of tetracyclic diquinane lycopodium alkaloids (+)-paniculatine, (-)-magellanine, (+)-magellaninone and analogues thereof.","Organic letters","2014","16","21","5612","5615","10.1021/ol502679v","","","0.71073","MoKα","","0.0403","0.037","","","0.0861","0.0891","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517984","16.725","0.008","10.562","0.005","16.707","0.008","90","","111.932","0.008","90","","2738","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 B F4 I N O2 -","- C12 H9 B F4 I N O2 -","- C96 H72 B8 F32 I8 N8 O16 -","8","1","","Stevenson, K. J.; Veneman, P. A.; Gearba, R. I.; Mueller, K. M.; Holliday, B. J.; Ohta, T.; Chan, C. K.","Controlled covalent modification of epitaxial single layer graphene on 6H-SiC (0001) with aryliodonium salts using electrochemical methods.","Faraday discussions","2014","172","","273","291","10.1039/c4fd00038b","","","0.71073","MoKα","","0.0365","0.0365","","","0.0889","0.0889","","","","","","1.249","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1517989","16.3383","0.0013","9.6603","0.0013","13.6431","0.0012","90","","113.262","0.007","90","","1978.3","0.4","296","2","296","2","","","","","","","-","4","C 1 2/c 1","-C 2yc","15","","(E)-4-((2-hydroxyethylimino) methyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C80 H112 N16 O24 -","8","1","","Annaraj, B.; Neelakantan, M. A.","Water-soluble pyridine-based colorimetric chemosensor for naked eye detection of silver ions: design, synthesis, spectral and theoretical investigation","Anal. Methods","2014","6","24","9610","","10.1039/C4AY01592D","","","0.71073","MoKα","","0.0605","0.0432","","","0.1242","0.1483","","","","","","0.879","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517995","7.1812","","11.08","0.005","11.904","0.004","103.81","0.04","102.91","0.03","101.32","0.01","864.8","0.5","293","","293","","","","","","","","","3","P -1","-P 1","2","Perylene2- TCNQ","TCNQ (perylene)1-perylene","","- C52 H28 N4 -","- C52 H28 N4 -","- C52 H28 N4 -","1","0.5","","Vermeulen, D.; Zhu, L. Y.; Goetz, K. P.; Hu, Peng; Jiang, Hui; Day, C. S.; Jurchescu, O. D.; Coropceanu, V.; Kloc, C.; McNeil, L. E.","Charge Transport Properties of Perylene‒TCNQ Crystals: The Effect of Stoichiometry","The Journal of Physical Chemistry C","2014","118","42","24688","","10.1021/jp508520x","","","0.71073","MoKα","","0.0776","0.0412","","","0.097","0.1163","","","","2.21","2.21","1.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517996","16.5699","0.0016","10.4295","0.0013","6.4616","0.0004","90","","90","","90","","1116.67","0.19","293","2","293","2","","","100","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.118","0.0531","","","0.0761","0.0952","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517997","16.569","0.0018","10.3439","0.0016","6.4085","0.0004","90","","90","","90","","1098.3","0.2","293","2","293","2","","","200000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H16 N4 Ni O4 -","- C32 H64 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.0823","0.0443","","","0.0748","0.0861","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517998","16.4739","0.0016","10.2024","0.0014","6.2972","0.0004","90","","90","","90","","1058.39","0.19","293","2","293","2","","","600000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.0779","0.0445","","","0.0747","0.0843","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517999","16.3688","0.0017","10.0853","0.0015","6.1843","0.0004","90","","90","","90","","1020.9","0.2","293","2","293","2","","","1200000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.1023","0.061","","","0.1648","0.2308","","","","","","1.229","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518000","16.2653","0.0017","10.0195","0.0014","6.0897","0.0004","90","","90","","90","","992.44","0.19","293","2","293","2","","","1900000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H16 N4 Ni O4 -","- C32 H64 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.0724","0.0407","","","0.0737","0.0851","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518001","16.1082","0.0014","9.9613","0.0012","5.9848","0.0003","90","","90","","90","","960.31","0.15","293","2","293","2","","","2800000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.067","0.0426","","","0.0801","0.0869","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518002","16.038","0.0011","9.939","0.001","5.9397","0.0003","90","","90","","90","","946.8","0.12","293","2","293","2","","","3200000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.0741","0.0489","","","0.0826","0.0898","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518003","15.9507","0.0013","9.9145","0.0011","5.8872","0.0003","90","","90","","90","","931.02","0.14","293","2","293","2","","","3900000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H16 N4 Ni O4 -","- C32 H64 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.0641","0.0399","","","0.0857","0.0959","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518004","15.8529","0.0013","9.8959","0.001","5.8379","0.0003","90","","90","","90","","915.84","0.13","293","2","293","2","","","4500000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.0613","0.0384","","","0.0806","0.0896","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518005","15.7412","0.00013","9.8887","0.00012","5.7878","0.0003","90","","90","","90","","900.93","0.05","293","2","293","2","","","5100000","","","","","5","I b a m","-I 2 2c","72","Nickel Dimethylglyoxime","Nickel Dimethylglyoxime","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R.","Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies","The Journal of Physical Chemistry C","2014","118","42","24705","","10.1021/jp508939g","","","0.71073","MoKα","","0.0674","0.0446","","","0.0937","0.1047","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518007","15.117","0.003","25.634","0.004","10.4832","0.0018","90","","93.16","0.002","90","","4056.2","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dianion","","","- C50 H44 Co2 N6 -","- C50 H44 Co2 N6 -","- C200 H176 Co8 N24 -","4","1","","Endo, Yasutaka; Hasegawa, Masashi; Matsui, Tamami; Yagi, Hajime; Hino, Shojun; Mazaki, Yasuhiro","Synthesis and Electronic Structure of Dicyanofulvene-Fused Electron Accepting Molecule Based on a 1,5-Dihydro-s-Indacene Framework.","Organic letters","2014","16","21","5608","5611","10.1021/ol502675n","","","0.71073","MoKα","","0.0774","0.0678","","","0.2055","0.2155","","","","","","1.233","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518008","4.698","0.002","9.524","0.004","12.274","0.005","107.122","0.005","96.442","0.005","99.141","0.005","510.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","diketone","","","- C12 H12 N O -","- C12 H12 N O -","- C24 H24 N2 O2 -","2","1","","Endo, Yasutaka; Hasegawa, Masashi; Matsui, Tamami; Yagi, Hajime; Hino, Shojun; Mazaki, Yasuhiro","Synthesis and Electronic Structure of Dicyanofulvene-Fused Electron Accepting Molecule Based on a 1,5-Dihydro-s-Indacene Framework.","Organic letters","2014","16","21","5608","5611","10.1021/ol502675n","","","0.71073","MoKα","","0.0666","0.05","","","0.1319","0.1486","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518009","15.1235","0.0014","8.1521","0.0007","10.0755","0.0009","90","","102.546","0.001","90","","1212.53","0.19","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","diCN","","","- C15 H12 N3 -","- C15 H12 N3 -","- C60 H48 N12 -","4","1","","Endo, Yasutaka; Hasegawa, Masashi; Matsui, Tamami; Yagi, Hajime; Hino, Shojun; Mazaki, Yasuhiro","Synthesis and Electronic Structure of Dicyanofulvene-Fused Electron Accepting Molecule Based on a 1,5-Dihydro-s-Indacene Framework.","Organic letters","2014","16","21","5608","5611","10.1021/ol502675n","","","0.71073","MoKα","","0.0492","0.0367","","","0.1006","0.1187","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518010","16.9537","0.0003","8.6396","0.0002","29.8296","0.0005","90","","90","","90","","4369.24","0.15","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C27 H20 O7 -","- C27 H20 O7 -","- C216 H160 O56 -","8","2","","Zhao, Si-Meng; Wang, Zhe; Zeng, Guang-Zhi; Song, Wei-Wu; Chen, Xiao-Qiang; Li, Xiao-Nian; Tan, Ning-Hua","New Cytotoxic Naphthohydroquinone Dimers from Rubia alata.","Organic letters","2014","16","21","5576","5579","10.1021/ol502603f","","","1.54178","CuKα","","0.1175","0.116","","","0.2608","0.2636","","","","","","1.221","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518011","14.4706","0.0003","8.739","0.0002","17.7308","0.0003","90","","107.865","0.001","90","","2134.1","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 O8 -","- C27 H20 O8 -","- C108 H80 O32 -","4","1","","Zhao, Si-Meng; Wang, Zhe; Zeng, Guang-Zhi; Song, Wei-Wu; Chen, Xiao-Qiang; Li, Xiao-Nian; Tan, Ning-Hua","New Cytotoxic Naphthohydroquinone Dimers from Rubia alata.","Organic letters","2014","16","21","5576","5579","10.1021/ol502603f","","","1.54178","CuKα","","0.0497","0.0489","","","0.1394","0.1401","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518012","9.135","0.005","11.634","0.005","20.55","0.005","90","0.005","90","0.005","90","0.005","2184","1.6","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 -","- C26 H21 N3 O2 -","- C104 H84 N12 O8 -","4","1","","Rout, Subhrajit; Ray, Sumit K.; Unhale, Rajshekhar A.; Singh, Vinod K.","Asymmetric direct vinylogous Michael addition to 2-enoylpyridine N-oxides catalyzed by bifunctional thio-urea.","Organic letters","2014","16","21","5568","5571","10.1021/ol5025794","","","0.71069","MoKα","","0.0656","0.047","","","0.0999","0.1097","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518013","5.844","0.005","24.19","0.005","17.139","0.005","90","0.005","98.979","0.005","90","0.005","2393","2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 N3 O3 S -","- C26 H19 N3 O2 S -","- C104 H76 N12 O8 S4 -","4","2","","Rout, Subhrajit; Ray, Sumit K.; Unhale, Rajshekhar A.; Singh, Vinod K.","Asymmetric direct vinylogous Michael addition to 2-enoylpyridine N-oxides catalyzed by bifunctional thio-urea.","Organic letters","2014","16","21","5568","5571","10.1021/ol5025794","","","0.71069","MoKα","","0.1002","0.0727","","","0.1871","0.2208","","","","","","1.078","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1518014","9.9083","0.0017","14.668","0.003","17.891","0.003","69.407","0.002","78.799","0.002","74.676","0.002","2332.7","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O5 -","- C25 H28 N2 O5 -","- C100 H112 N8 O20 -","4","2","","Jia, Shuanglong; Su, Shikuan; Li, Chunju; Jia, Xueshun; Li, Jian","Multicomponent cascade cycloaddition involving tropone, allenoate, and isocyanide: a rapid access to a 7,6,5-fused tricyclic skeleton.","Organic letters","2014","16","21","5604","5607","10.1021/ol502656g","","","0.71073","MoKα","","0.0942","0.0539","","","0.1202","0.1419","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518015","9.75","0.02","10.13","0.03","11.93","0.03","102.05","0.03","97.02","0.03","99.45","0.03","1122","5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C50 H58 N2 O6 -","2","1","","Jia, Shuanglong; Su, Shikuan; Li, Chunju; Jia, Xueshun; Li, Jian","Multicomponent cascade cycloaddition involving tropone, allenoate, and isocyanide: a rapid access to a 7,6,5-fused tricyclic skeleton.","Organic letters","2014","16","21","5604","5607","10.1021/ol502656g","","","0.71073","MoKα","","0.0552","0.0444","","","0.1221","0.1319","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518016","19.359","0.018","11.219","0.011","7.697","0.007","90","","93.446","0.014","90","","1669","3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F7 O4 -","- C16 H13 F7 O4 -","- C64 H52 F28 O16 -","4","1","","Bera, Milan; Modak, Atanu; Patra, Tuhin; Maji, Arun; Maiti, Debabrata","Meta-selective arene C-h bond olefination of arylacetic Acid using a nitrile-based directing group.","Organic letters","2014","16","21","5760","5763","10.1021/ol502823c","","","0.7107","MoKα","","","0.0872","","","","0.2444","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518029","16.751","0.005","16.92","0.005","17.211","0.005","73.79","0.004","77.398","0.004","62.104","0.003","4118","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C125 H95 Au25 N Se19 -","- C119 H90 Au25 N Se18 -","- C119 H90 Au25 N Se18 -","1","0.5","","Song, Yongbo; Zhong, Juan; Yang, Sha; Wang, Shuxin; Cao, Tiantian; Zhang, Jun; Li, Peng; Hu, Daqiao; Pei, Yong; Zhu, Manzhou","Crystal structure of Au25(SePh)18 nanoclusters and insights into their electronic, optical and catalytic properties.","Nanoscale","2014","6","22","13977","13985","10.1039/c4nr04631e","","","0.71073","MoKα","","0.1233","0.0656","","","0.1897","0.2208","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518036","18.554","0.012","20.37","0.013","30.482","0.02","95.488","0.007","94.821","0.008","110.991","0.007","10620","12","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C144 H120 Au36 S24 -","- C144 H120 Au36 S24 -","- C288 H240 Au72 S48 -","2","1","","Nimmala, Praneeth Reddy; Knoppe, Stefan; Jupally, Vijay Reddy; Delcamp, Jared H.; Aikens, Christine M.; Dass, Amala","Au36(SPh)24 nanomolecules: X-ray crystal structure, optical spectroscopy, electrochemistry, and theoretical analysis.","The journal of physical chemistry. B","2014","118","49","14157","14167","10.1021/jp506508x","","x-ray","0.71073","MoKα","K-L~3~","0.1397","0.0681","","","0.1879","0.2329","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518037","11.5189","0.0013","20.166","0.002","12.1082","0.001","90","","99.379","0.01","90","","2775","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 O5 P -","- C31 H31 O5 P -","- C124 H124 O20 P4 -","4","1","","Zhou, Zhao-Zhao; Jin, Dong-Po; Li, Lian-Hua; He, Yu-Tao; Zhou, Ping-Xin; Yan, Xiao-Biao; Liu, Xue-Yuan; Liang, Yong-Min","Silver-promoted oxidative cyclization of 1,6-enynes: highly regioselective synthesis of phosphorated fluorene derivatives.","Organic letters","2014","16","21","5616","5619","10.1021/ol502397f","","","0.71073","MoKα","","0.1487","0.0724","","","0.1549","0.2127","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518047","6.1577","0.0001","16.993","0.0003","7.443","0.0001","90","","91.874","0.001","90","","778.4","0.02","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H20 Cl F2 N3 O5 -","- C12 H20 Cl F2 N3 O5 -","- C24 H40 Cl2 F4 N6 O10 -","2","1","","Tambutet, Guillaume; Becerril-Jiménez, Fabiola; Dostie, Starr; Simard, Ryan; Prévost, Michel; Mochirian, Philippe; Guindon, Yvan","Dual-face nucleoside scaffold featuring a stereogenic all-carbon quaternary center. Intramolecular silicon tethered group-transfer reaction.","Organic letters","2014","16","21","5698","5701","10.1021/ol502777r","","x-ray","1.54178","CuKα","","0.023","0.0229","","","0.0604","0.0605","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518048","11.0001","0.0011","11.6331","0.0009","10.9008","0.0012","90","","111.062","0.012","90","","1301.7","0.2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C60 H56 N8 O4 S4 -","4","1","","Chen, Fa-Jie; Liao, Gang; Li, Xin; Wu, Jun; Shi, Bing-Feng","Cu(II)-Mediated C-S/N-S Bond Formation via C-H Activation: Access to Benzoisothiazolones Using Elemental Sulfur.","Organic letters","2014","16","21","5644","5647","10.1021/ol5027156","","","0.71073","MoKα","","0.0691","0.0454","","","0.0995","0.1179","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518049","8.3735","0.0014","14.39","0.003","10.3466","0.0018","90","","91.339","0.004","90","","1246.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 S -","- C15 H10 N2 S -","- C60 H40 N8 S4 -","4","1","","Mitra, Shubhanjan; Chakraborty, Amrita; Mishra, Subhajit; Majee, Adinath; Hajra, Alakananda","Copper(I)-Catalyzed Oxidative Coupling between 2-Aminobenzothiazole and Terminal Alkyne: Formation of Benzothiazine.","Organic letters","2014","16","21","5652","5655","10.1021/ol502729c","","","0.71073","MoKα","","0.0532","0.0479","","","0.138","0.146","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518063","8.5383","0.0005","5.9356","0.0004","27.0049","0.0016","90","","92.912","0.005","90","","1366.84","0.15","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","2","","Huang, An-Cheng; Sumby, Christopher J.; Tiekink, Edward R. T.; Taylor, Dennis K.","Synthesis of guaia-4(5)-en-11-ol, guaia-5(6)-en-11-ol, aciphyllene, 1-epi-melicodenones C and E, and other guaiane-type sesquiterpenoids via the diastereoselective epoxidation of guaiol.","Journal of natural products","2014","77","11","2522","2536","10.1021/np500611z","","","0.71073","MoKα","","0.1249","0.1218","","","0.3002","0.3028","","","","","","1.337","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518064","5.9098","0.0001","14.8542","0.0002","15.2437","0.0002","90","","90","","90","","1338.17","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Huang, An-Cheng; Sumby, Christopher J.; Tiekink, Edward R. T.; Taylor, Dennis K.","Synthesis of guaia-4(5)-en-11-ol, guaia-5(6)-en-11-ol, aciphyllene, 1-epi-melicodenones C and E, and other guaiane-type sesquiterpenoids via the diastereoselective epoxidation of guaiol.","Journal of natural products","2014","77","11","2522","2536","10.1021/np500611z","","","1.54184","CuKα","","0.0297","0.029","","","0.0752","0.076","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518065","5.9203","0.0003","16.7817","0.0008","13.9222","0.0007","90","","92.625","0.005","90","","1381.76","0.12","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","2","","Huang, An-Cheng; Sumby, Christopher J.; Tiekink, Edward R. T.; Taylor, Dennis K.","Synthesis of guaia-4(5)-en-11-ol, guaia-5(6)-en-11-ol, aciphyllene, 1-epi-melicodenones C and E, and other guaiane-type sesquiterpenoids via the diastereoselective epoxidation of guaiol.","Journal of natural products","2014","77","11","2522","2536","10.1021/np500611z","","","0.71073","MoKα","","0.1201","0.0708","","","0.1125","0.1371","","","","","","1.03","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518066","7.1266","0.0004","11.183","0.0005","8.7503","0.0005","90","","105.47","0.006","90","","672.11","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","","Huang, An-Cheng; Sumby, Christopher J.; Tiekink, Edward R. T.; Taylor, Dennis K.","Synthesis of guaia-4(5)-en-11-ol, guaia-5(6)-en-11-ol, aciphyllene, 1-epi-melicodenones C and E, and other guaiane-type sesquiterpenoids via the diastereoselective epoxidation of guaiol.","Journal of natural products","2014","77","11","2522","2536","10.1021/np500611z","","","1.54184","CuKα","","0.0568","0.0509","","","0.1136","0.1178","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518067","14.368","0.0006","5.5232","0.0002","16.9484","0.0007","90","","104.156","0.004","90","","1304.14","0.09","149","2","149","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Huang, An-Cheng; Sumby, Christopher J.; Tiekink, Edward R. T.; Taylor, Dennis K.","Synthesis of guaia-4(5)-en-11-ol, guaia-5(6)-en-11-ol, aciphyllene, 1-epi-melicodenones C and E, and other guaiane-type sesquiterpenoids via the diastereoselective epoxidation of guaiol.","Journal of natural products","2014","77","11","2522","2536","10.1021/np500611z","","","0.71073","MoKα","","0.0441","0.0402","","","0.0945","0.0974","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518071","5.0198","0.0003","9.5967","0.0006","10.9206","0.0007","84.776","0.002","82.397","0.002","83.744","0.002","516.78","0.06","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H26 N2 O9 -","- C17 H26 N2 O9 -","- C17 H26 N2 O9 -","1","1","","Blériot, Yves; Auberger, Nicolas; Jagadeesh, Yerri; Gauthier, Charles; Prencipe, Giuseppe; Tran, Anh Tuan; Marrot, Jérôme; Désiré, Jérôme; Yamamoto, Arisa; Kato, Atsushi; Sollogoub, Matthieu","Synthesis of 1,2-cis-Homoiminosugars Derived from GlcNAc and GalNAc Exploiting a β-Amino Alcohol Skeletal Rearrangement.","Organic letters","2014","16","21","5512","5515","10.1021/ol502926f","","","0.71073","MoKα","","0.0534","0.0428","","","0.1172","0.1269","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518072","12.3878","0.0011","9.8635","0.0009","16.296","0.0014","90","","100.385","0.001","90","","1958.5","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O2 -","- C26 H24 O2 -","- C104 H96 O8 -","4","1","","Seetha Lakshmi, K. C.; Sinu, C. R.; Padmaja, D. V. M.; Gopinathan, Anilkumar; Suresh, Eringathodi; Nair, Vijay","A novel intramolecular homoenolate annulation leading to the formation of cyclopentene-fused macrocycles.","Organic letters","2014","16","21","5532","5535","10.1021/ol5023239","","","0.71073","MoKα","","0.0557","0.0494","","","0.1343","0.1404","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518073","21.979","0.007","3.805","0.0012","12.816","0.004","90","","125.112","0.004","90","","876.8","0.5","110","2","110","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H18 O6 -","- C22 H18 O6 -","- C44 H36 O12 -","2","0.5","","Dang, Hai-Yan; Wang, Zi-Tian; Cheng, Ying","Changing reaction pathways of the dimerization of 2-formylcinnamates by N-heterocyclic carbene/lewis Acid cooperative catalysis: an unusual cleavage of the carbon-carbon bond.","Organic letters","2014","16","21","5520","5523","10.1021/ol502791s","","","0.71073","MoKα","","0.0727","0.0652","","","0.1607","0.1683","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518074","9.9407","0.0014","14.417","0.002","6.4365","0.0012","90","","97.175","0.006","90","","915.2","0.2","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C44 H40 O12 -","2","0.5","","Dang, Hai-Yan; Wang, Zi-Tian; Cheng, Ying","Changing reaction pathways of the dimerization of 2-formylcinnamates by N-heterocyclic carbene/lewis Acid cooperative catalysis: an unusual cleavage of the carbon-carbon bond.","Organic letters","2014","16","21","5520","5523","10.1021/ol502791s","","","0.71075","MoKα","","0.0676","0.052","","","0.1356","0.1461","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518075","7.334","0.005","11.646","0.011","17.387","0.011","87.438","0.012","82.139","0.012","81.481","0.012","1454.4","1.9","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C76 H56 O16 -","4","2","","Dang, Hai-Yan; Wang, Zi-Tian; Cheng, Ying","Changing reaction pathways of the dimerization of 2-formylcinnamates by N-heterocyclic carbene/lewis Acid cooperative catalysis: an unusual cleavage of the carbon-carbon bond.","Organic letters","2014","16","21","5520","5523","10.1021/ol502791s","","","0.71073","MoKα","","0.1375","0.0981","","","0.2533","0.2807","","","","","","0.988","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518087","9.1808","0.0003","11.2481","0.0003","16.7513","0.0005","90","","90","","90","","1729.85","0.09","100.1","0.6","100.1","0.6","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tronoharine","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","","Sim, Dawn Su-Yin; Chong, Kam-Weng; Nge, Choy-Eng; Low, Yun-Yee; Sim, Kae-Shin; Kam, Toh-Seok","Cytotoxic vobasine, tacaman, and corynanthe-tryptamine bisindole alkaloids from Tabernaemontana and structure revision of tronoharine.","Journal of natural products","2014","77","11","2504","2512","10.1021/np500589u","","","0.71073","MoKα","","0.035","0.0327","","","0.0849","0.0868","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518104","13.0065","0.0004","9.6974","0.0003","13.4106","0.0005","90","","108.156","0.004","90","","1607.25","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cl2 N O6 -","- C15 H13 Cl2 N O6 -","- C60 H52 Cl8 N4 O24 -","4","1","","Garve, Lennart K. B.; Barkawitz, Philip; Jones, Peter G.; Werz, Daniel B.","Ring-opening 1,3-dichlorination of donor-acceptor cyclopropanes by iodobenzene dichloride.","Organic letters","2014","16","21","5804","5807","10.1021/ol5029139","","","0.71073","MoKα","","0.0362","0.0294","","","0.068","0.0715","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518105","11.5762","0.0018","13.295","0.002","11.717","0.0019","90","","94.065","0.004","90","","1798.8","0.5","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 N6 S3 -","- C20 H8 N6 S3 -","- C80 H32 N24 S12 -","4","1","","Kohl, Bernd; Over, Lena Charlotte; Lohr, Thorsten; Vasylyeva, Mariya; Rominger, Frank; Mastalerz, Michael","Selective Even-Numbered Bromination of Triptycene Tris(thiadiazoles).","Organic letters","2014","16","21","5596","5599","10.1021/ol502639x","","","0.71073","MoKα","","0.0589","0.042","","","0.0909","0.1025","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518106","16.177","0.003","10.0848","0.0017","17.552","0.003","90","","96.892","0.005","90","","2842.8","0.9","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 N6 O2 S3 -","- C34 H20 N6 O2 S3 -","- C136 H80 N24 O8 S12 -","4","1","","Kohl, Bernd; Over, Lena Charlotte; Lohr, Thorsten; Vasylyeva, Mariya; Rominger, Frank; Mastalerz, Michael","Selective Even-Numbered Bromination of Triptycene Tris(thiadiazoles).","Organic letters","2014","16","21","5596","5599","10.1021/ol502639x","","","0.71073","MoKα","","0.0959","0.0554","","","0.1143","0.1392","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518107","12.1222","0.0017","14.719","0.0019","15.016","0.002","81.818","0.003","81.662","0.004","87.213","0.003","2622.9","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.5 H7.5 Br2 Cl4.5 N6 S3 -","- C21.5 H7.5 Br2 Cl4.5 N6 S3 -","- C86 H30 Br8 Cl18 N24 S12 -","4","2","","Kohl, Bernd; Over, Lena Charlotte; Lohr, Thorsten; Vasylyeva, Mariya; Rominger, Frank; Mastalerz, Michael","Selective Even-Numbered Bromination of Triptycene Tris(thiadiazoles).","Organic letters","2014","16","21","5596","5599","10.1021/ol502639x","","","0.71073","MoKα","","0.0668","0.0452","","","0.1057","0.1153","","","","","","1.022","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518108","17.2653","0.0011","9.9127","0.0006","13.9514","0.001","90","","97.8231","0.0019","90","","2365.5","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H12 N6 S5 -","- C28 H12 N6 S5 -","- C112 H48 N24 S20 -","4","0.5","","Kohl, Bernd; Over, Lena Charlotte; Lohr, Thorsten; Vasylyeva, Mariya; Rominger, Frank; Mastalerz, Michael","Selective Even-Numbered Bromination of Triptycene Tris(thiadiazoles).","Organic letters","2014","16","21","5596","5599","10.1021/ol502639x","","","0.71073","MoKα","","0.067","0.0517","","","0.1217","0.1308","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518109","9.1287","0.0002","14.7136","0.0003","22.5741","0.0004","90","","90","","90","","3032.06","0.11","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H25 Cl2 N3 O8 -","- C34 H25 Cl2 N3 O8 -","- C136 H100 Cl8 N12 O32 -","4","1","","Raja, Arun; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic enantioselective Michael-Michael-Michael-aldol condensation reactions: control of five stereocenters in a quadruple-cascade asymmetric synthesis of highly functionalized hexahydrophenanthrenes.","Organic letters","2014","16","21","5756","5759","10.1021/ol502821e","","","0.71073","MoKα","","0.0639","0.0374","","","0.0782","0.0853","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518118","7.4122","0.0002","19.7006","0.0007","14.0756","0.0005","90","","99.641","0.003","90","","2026.36","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O3 S2 -","- C23 H19 N O3 S2 -","- C92 H76 N4 O12 S8 -","4","1","","Manjappa, Kiran B.; Jhang, Wei-Fang; Huang, Shin-Yi; Yang, Ding-Yah","Microwave-Promoted, Metal- and Catalyst-Free Decarboxylative α,β-Difunctionlization of Secondary α-Amino Acids via Pseudo-Four-Component Reactions.","Organic letters","2014","16","21","5690","5693","10.1021/ol5027574","","x-ray","0.71073","MoKα","","0.0672","0.0478","","","0.1058","0.116","","","","","","1.084","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518119","9.3779","0.0008","9.7764","0.0011","15.0082","0.0013","72.336","0.009","85.409","0.007","73.35","0.008","1256.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H35 N O4 -","- C29 H35 N O4 -","- C58 H70 N2 O8 -","2","1","","Manjappa, Kiran B.; Jhang, Wei-Fang; Huang, Shin-Yi; Yang, Ding-Yah","Microwave-Promoted, Metal- and Catalyst-Free Decarboxylative α,β-Difunctionlization of Secondary α-Amino Acids via Pseudo-Four-Component Reactions.","Organic letters","2014","16","21","5690","5693","10.1021/ol5027574","","x-ray","0.71073","MoKα","","0.0696","0.05","","","0.1085","0.1224","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518120","9.8063","0.0004","15.3229","0.0005","14.4437","0.0005","90","","99.159","0.002","90","","2142.65","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","1","","Manjappa, Kiran B.; Jhang, Wei-Fang; Huang, Shin-Yi; Yang, Ding-Yah","Microwave-Promoted, Metal- and Catalyst-Free Decarboxylative α,β-Difunctionlization of Secondary α-Amino Acids via Pseudo-Four-Component Reactions.","Organic letters","2014","16","21","5690","5693","10.1021/ol5027574","","x-ray","0.71073","MoKα","","0.0879","0.0535","","","0.1425","0.1735","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518121","35.989","0.005","9.0656","0.0011","10.96","0.0017","90","","99.383","0.004","90","","3528","0.9","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Br2 N2 O4 -","- C16 H14 Br2 N2 O4 -","- C128 H112 Br16 N16 O32 -","8","1","","Du, Yu; Wang, Yuhuang; Li, Xin; Shao, Yaling; Li, Guohui; Webster, Richard D.; Chi, Yonggui Robin","N-Heterocyclic Carbene Organocatalytic Reductive β,β-Coupling Reactions of Nitroalkenes via Radical Intermediates.","Organic letters","2014","16","21","5678","5681","10.1021/ol5027415","","","0.71073","MoKα","","0.1038","0.0617","","","0.1432","0.1602","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518123","11.3662","0.0002","12.5415","0.0003","32.7762","0.0008","90","","91.676","0.002","90","","4670.22","0.18","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H108 Ni6 S12 -","- C96 H108 Ni6 S12 -","- C192 H216 Ni12 S24 -","2","0.5","","Zhu, Min; Zhou, Shiming; Yao, Chuanhao; Liao, Lingwen; Wu, Zhikun","Reduction-resistant and reduction-catalytic double-crown nickel nanoclusters.","Nanoscale","2014","6","23","14195","14199","10.1039/c4nr04981k","","","1.54184","CuKα","","0.1052","0.0922","","","0.2378","0.2468","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518124","7.6668","0.0004","25.7408","0.0011","14.5202","0.0006","90","","96.378","0.003","90","","2847.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 N6 O3 -","- C31 H30 N6 O3 -","- C124 H120 N24 O12 -","4","1","","Lohar, Somenath; Pal, Siddhartha; Sen, Buddhadeb; Mukherjee, Manjira; Banerjee, Samya; Chattopadhyay, Pabitra","Selective and sensitive turn-on chemosensor for arsenite ion at the ppb level in aqueous media applicable in cell staining.","Analytical chemistry","2014","86","22","11357","11361","10.1021/ac503255f","","","0.71073","MoKα","","0.051","0.0341","","","0.1078","0.1302","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518125","9.9016","0.0002","10.9184","0.0002","19.2975","0.0004","90","","102.826","0.001","90","","2034.19","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 F N6 O3 -","- C21 H25 F N6 O3 -","- C84 H100 F4 N24 O12 -","4","2","","Grillot, Anne-Laure; Le Tiran, Arnaud; Shannon, Dean; Krueger, Elaine; Liao, Yusheng; O'Dowd, Hardwin; Tang, Qing; Ronkin, Steve; Wang, Tiansheng; Waal, Nathan; Li, Pan; Lauffer, David; Sizensky, Emmanuelle; Tanoury, Jerry; Perola, Emanuele; Grossman, Trudy H.; Doyle, Tim; Hanzelka, Brian; Jones, Steven; Dixit, Vaishali; Ewing, Nigel; Liao, Shengkai; Boucher, Brian; Jacobs, Marc; Bennani, Youssef; Charifson, Paul S.","Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability.","Journal of medicinal chemistry","2014","57","21","8792","8816","10.1021/jm500563g","","","1.54178","CuKα","","0.0371","0.0338","","","0.0851","0.0871","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518126","10.4731","0.0008","14.7286","0.0011","11.7998","0.0009","90","","93.328","0.001","90","","1817.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br2 O S -","- C21 H12 Br2 O S -","- C84 H48 Br8 O4 S4 -","4","1","","Inami, Tasuku; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-catalyzed reaction of thioisatins and alkynes: a facile synthesis of thiochromones.","Organic letters","2014","16","21","5660","5662","10.1021/ol5026102","","","0.71073","MoKα","","0.0437","0.0315","","","0.0783","0.0824","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518127","5.591","0.002","16.262","0.006","21.37","0.008","90","","91.569","0.008","90","","1942.2","1.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 F3 O2 S -","- C23 H15 F3 O2 S -","- C92 H60 F12 O8 S4 -","4","1","","Inami, Tasuku; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-catalyzed reaction of thioisatins and alkynes: a facile synthesis of thiochromones.","Organic letters","2014","16","21","5660","5662","10.1021/ol5026102","","","0.71073","MoKα","","0.1576","0.0799","","","0.1923","0.2336","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518128","8.9939","0.0015","8.1628","0.0014","17.126","0.003","90","","104.252","0.003","90","","1218.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O S -","- C14 H14 O S -","- C56 H56 O4 S4 -","4","1","","Inami, Tasuku; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-catalyzed reaction of thioisatins and alkynes: a facile synthesis of thiochromones.","Organic letters","2014","16","21","5660","5662","10.1021/ol5026102","","","0.71073","MoKα","","0.0551","0.0479","","","0.1348","0.1414","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518129","5.3276","0.0009","13.983","0.002","19.681","0.003","90","","94.9","0.003","90","","1460.8","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O S -","- C16 H20 O S -","- C64 H80 O4 S4 -","4","1","","Inami, Tasuku; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-catalyzed reaction of thioisatins and alkynes: a facile synthesis of thiochromones.","Organic letters","2014","16","21","5660","5662","10.1021/ol5026102","","","0.71073","MoKα","","0.063","0.0541","","","0.1462","0.1553","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518130","7.31","0.005","15.202","0.011","12.49","0.009","90","","92.609","0.014","90","","1386.5","1.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O S Si -","- C13 H16 O S Si -","- C52 H64 O4 S4 Si4 -","4","1","","Inami, Tasuku; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-catalyzed reaction of thioisatins and alkynes: a facile synthesis of thiochromones.","Organic letters","2014","16","21","5660","5662","10.1021/ol5026102","","","0.71073","MoKα","","0.1184","0.0696","","","0.1927","0.2254","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518131","5.8126","0.0009","12.6069","0.0019","13.068","0.002","102.911","0.002","92.604","0.002","90.251","0.002","932.3","0.2","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H29 N O3 -","- C18 H29 N O3 -","- C36 H58 N2 O6 -","2","2","","Arai, Kenzo; Buonamici, Silvia; Chan, Betty; Corson, Laura; Endo, Atsushi; Gerard, Baudouin; Hao, Ming-Hong; Karr, Craig; Kira, Kazunobu; Lee, Linda; Liu, Xiang; Lowe, Jason T.; Luo, Tuoping; Marcaurelle, Lisa A.; Mizui, Yoshiharu; Nevalainen, Marta; O'Shea, Morgan Welzel; Park, Eun Sun; Perino, Samantha A.; Prajapati, Sudeep; Shan, Mingde; Smith, Peter G.; Tivitmahaisoon, Parcharee; Wang, John Yuan; Warmuth, Markus; Wu, Kuo-Ming; Yu, Lihua; Zhang, Huiming; Zheng, Guo-Zhu; Keaney, Gregg F.","Total Synthesis of 6-Deoxypladienolide D and Assessment of Splicing Inhibitory Activity in a Mutant SF3B1 Cancer Cell Line.","Organic letters","2014","16","21","5560","5563","10.1021/ol502556c","","x-ray","0.71073","MoKα","","0.067","0.0502","","","0.1173","0.1286","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518132","10.5788","0.001","7.7312","0.0007","10.8099","0.001","90","","90.385","0.001","90","","884.09","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Yang, Xing-Wei; Yang, Cui-Ping; Jiang, Li-Ping; Qin, Xu-Jie; Liu, Ya-Ping; Shen, Qiu-Shuo; Chen, Yong-Bin; Luo, Xiao-Dong","Indole alkaloids with new skeleton activating neural stem cells.","Organic letters","2014","16","21","5808","5811","10.1021/ol5029223","","","0.71073","MoKα","","0.0318","0.031","","","0.0836","0.0843","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518133","10.2476","0.0004","7.3019","0.0003","10.2973","0.0004","90","","94.765","0.001","90","","767.85","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C38 H48 N4 O2 -","2","1","","Yang, Xing-Wei; Yang, Cui-Ping; Jiang, Li-Ping; Qin, Xu-Jie; Liu, Ya-Ping; Shen, Qiu-Shuo; Chen, Yong-Bin; Luo, Xiao-Dong","Indole alkaloids with new skeleton activating neural stem cells.","Organic letters","2014","16","21","5808","5811","10.1021/ol5029223","","","1.54178","CuKα","","0.051","0.051","","","0.1448","0.1448","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518134","21.221","0.002","9.6494","0.0008","12.1702","0.0011","90","","105.393","0.004","90","","2402.7","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H27 Cl N2 S -","- C28 H27 Cl N2 S -","- C112 H108 Cl4 N8 S4 -","4","1","","Ranjan, Alok; Yerande, Ragini; Wakchaure, Prasad B.; Yerande, Swapnil G.; Dethe, Dattatraya H.","Base-Mediated Hydroamination of Propargylamine: A Regioselective Intramolecular 5-exo-dig Cycloisomerization en Route to Imidazole-2-thione.","Organic letters","2014","16","21","5788","5791","10.1021/ol502871r","","x-ray","0.71073","MoKα","","0.0335","0.0291","","","0.0612","0.0627","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518135","5.394","0.005","14.787","0.005","15.397","0.005","89.647","0.005","89.551","0.005","84.285","0.005","1221.9","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H38 N2 O -","- C29 H38 N2 O -","- C58 H76 N4 O2 -","2","1","","Ranjan, Alok; Yerande, Ragini; Wakchaure, Prasad B.; Yerande, Swapnil G.; Dethe, Dattatraya H.","Base-Mediated Hydroamination of Propargylamine: A Regioselective Intramolecular 5-exo-dig Cycloisomerization en Route to Imidazole-2-thione.","Organic letters","2014","16","21","5788","5791","10.1021/ol502871r","","","0.71069","MoKα","","0.0944","0.064","","","0.1631","0.198","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518136","12.094","0.005","10.536","0.004","16.197","0.006","90","","93.045","0.007","90","","2060.9","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 S -","- C24 H28 N2 S -","- C96 H112 N8 S4 -","4","1","","Ranjan, Alok; Yerande, Ragini; Wakchaure, Prasad B.; Yerande, Swapnil G.; Dethe, Dattatraya H.","Base-Mediated Hydroamination of Propargylamine: A Regioselective Intramolecular 5-exo-dig Cycloisomerization en Route to Imidazole-2-thione.","Organic letters","2014","16","21","5788","5791","10.1021/ol502871r","","","0.71073","MoKα","","0.0761","0.0523","","","0.132","0.1746","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518137","7.6526","0.0002","14.3216","0.0004","17.7284","0.0005","83.319","0.001","81.257","0.001","75.385","0.001","1852.08","0.09","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","2","","Denizot, Natacha; Pouilhès, Annie; Cucca, Mélissa; Beaud, Rodolphe; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Bioinspired direct access to benzofuroindolines by oxidative [3 + 2] annulation of phenols and indoles.","Organic letters","2014","16","21","5752","5755","10.1021/ol502820p","","x-ray","0.71073","MoKα","","0.09","0.0543","","","0.1243","0.1435","","","","","","1.033","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518138","15.4467","0.0014","16.2308","0.0015","7.0318","0.0006","90","","90","","90","","1763","0.3","100","1","100","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C88 H88 N8 O12 -","4","1","","Denizot, Natacha; Pouilhès, Annie; Cucca, Mélissa; Beaud, Rodolphe; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Bioinspired direct access to benzofuroindolines by oxidative [3 + 2] annulation of phenols and indoles.","Organic letters","2014","16","21","5752","5755","10.1021/ol502820p","","x-ray","0.71073","MoKα","","0.1413","0.0663","","","0.1174","0.1416","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518150","11.748","0.002","15.892","0.003","16.271","0.003","90","","108.86","0.03","90","","2874.7","1","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H39 Cl2 N2 O4 Rh -","- C26 H39 Cl2 N2 O4 Rh -","- C104 H156 Cl8 N8 O16 Rh4 -","4","1","","Kim, Soojin; Lee, Ga Ye; Baeg, Jin-Ook; Kim, Youngmee; Kim, Sung-Jin; Kim, Jinheung","Visible-Light-Driven Photoproduction of Hydrogen Using Rhodium Catalysts and Platinum Nanoparticles with Formate","The Journal of Physical Chemistry C","2014","118","45","25844","","10.1021/jp504876w","","","0.71073","MoKα","","0.0612","0.0446","","","0.1071","0.1146","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518151","5.9343","0.0012","11.372","0.002","23.049","0.005","90","","90","","90","","1555.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br N O3 -","- C18 H16 Br N O3 -","- C72 H64 Br4 N4 O12 -","4","1","","He, Ling; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang","Catalytic asymmetric difunctionalization of stable tertiary enamides with salicylaldehydes: highly efficient, enantioselective, and diastereoselective synthesis of diverse 4-chromanol derivatives.","Organic letters","2014","16","22","5972","5975","10.1021/ol5029964","","","0.71073","MoKα","","0.0379","0.0347","","","0.0776","0.0802","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518152","14.001","0.003","10.574","0.002","13.214","0.003","90","","110.89","0.03","90","","1827.7","0.8","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19.5 H19 Br N O3.5 -","- C19.5 H19 Br N O3.5 -","- C78 H76 Br4 N4 O14 -","4","1","","He, Ling; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang","Catalytic asymmetric difunctionalization of stable tertiary enamides with salicylaldehydes: highly efficient, enantioselective, and diastereoselective synthesis of diverse 4-chromanol derivatives.","Organic letters","2014","16","22","5972","5975","10.1021/ol5029964","","","0.71073","MoKα","","0.0389","0.0361","","","0.0849","0.0865","","","","","","1.09","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1518153","16.5841","0.0003","6.431","0.0001","18.0484","0.0004","90","","104.578","0.002","90","","1862.93","0.06","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br N O3 -","- C20 H22 Br N O3 -","- C80 H88 Br4 N4 O12 -","4","2","","Zhan, Gu; He, Qing; Yuan, Xin; Chen, Ying-Chun","Asymmetric direct vinylogous Michael additions of allyl alkyl ketones to maleimides through dienamine catalysis.","Organic letters","2014","16","22","6000","6003","10.1021/ol503017h","","","1.54184","CuKα","","0.058","0.0528","","","0.1552","0.1625","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518156","13.3862","0.0017","23.118","0.003","26.137","0.003","77.272","0.003","88.52","0.003","86.926","0.003","7877.5","1.7","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Beta-ethano-linked tris(sexithienyl) cage","","","- C154 H192 S18 -","- C146 H164 S18 -","- C292 H328 S36 -","2","1","","Adachi, Kazuhiko; Hirao, Yasukazu; Matsumoto, Kouzou; Kubo, Takashi; Kurata, Hiroyuki","Synthesis of sexithiophene-bridged cage compound: a new class of three-dimensionally expanded oligothiophenes.","Organic letters","2014","16","22","5870","5873","10.1021/ol5027816","","","0.71075","MoKα","","0.195","0.083","","","0.217","0.2405","","","","","","0.829","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518157","14.1021","0.0009","14.456","0.0009","15.5321","0.0016","100.882","0.0015","113.427","0.0016","110","0.003","2529.1","0.4","200","2","200","2","","","","","","","","3","P -1","-P 1","2","Beta-ethano-linked bis(sexithienyl) cycle","","","- C106 H136 S12 -","- C106 H136 S12 -","- C106 H136 S12 -","1","0.5","","Adachi, Kazuhiko; Hirao, Yasukazu; Matsumoto, Kouzou; Kubo, Takashi; Kurata, Hiroyuki","Synthesis of sexithiophene-bridged cage compound: a new class of three-dimensionally expanded oligothiophenes.","Organic letters","2014","16","22","5870","5873","10.1021/ol5027816","","","0.71075","MoKα","","0.0836","0.0698","","","0.1813","0.1938","","","","","","1.133","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518164","10.641","0.002","14.542","0.003","20.465","0.004","83.247","0.002","78.545","0.002","75.244","0.002","2993.8","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34 Au N2 P -","- C35 H34 Au N2 P -","- C140 H136 Au4 N8 P4 -","4","2","","Lane, Andrew; Barnes, Charles; Vollmer, Matthew; Walensky, Justin","Reactivity of Mononuclear and Dinuclear Gold(I) Amidinate Complexes with CS2 and CsBr3","Inorganics","2014","2","4","540","","10.3390/inorganics2040540","","","0.71073","MoKα","","0.0343","0.0236","","","0.0498","0.0536","","","","","","0.966","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518165","38.566","0.002","8.7877","0.0005","27.081","0.0017","90","","129.469","0.001","90","","7085.1","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H38 Au N2 O0.5 P S2 -","- C38 H38 Au N2 O0.5 P S2 -","- C304 H304 Au8 N16 O4 P8 S16 -","8","1","","Lane, Andrew; Barnes, Charles; Vollmer, Matthew; Walensky, Justin","Reactivity of Mononuclear and Dinuclear Gold(I) Amidinate Complexes with CS2 and CsBr3","Inorganics","2014","2","4","540","","10.3390/inorganics2040540","","","0.71073","MoKα","","0.0345","0.0231","","","0.0497","0.0535","","","","","","1.025","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518166","8.3937","0.0002","15.4728","0.0004","29.2585","0.0008","99.133","0.001","96.062","0.001","102.161","0.001","3629.3","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H76 Au4 N8 S8 -","- C72 H76 Au4 N8 S8 -","- C144 H152 Au8 N16 S16 -","2","1","","Lane, Andrew; Barnes, Charles; Vollmer, Matthew; Walensky, Justin","Reactivity of Mononuclear and Dinuclear Gold(I) Amidinate Complexes with CS2 and CsBr3","Inorganics","2014","2","4","540","","10.3390/inorganics2040540","","","1.54178","CuKα","","0.0201","0.0183","","","0.0427","0.0435","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518175","13.6675","0.0008","27.6576","0.0016","28.2284","0.0016","62.073","0.002","88.936","0.002","86.633","0.002","9411.2","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H64 F24 N8 O10 P4 -","- C74 H64 F24 N8 O10 P4 -","- C296 H256 F96 N32 O40 P16 -","4","2","","Liu, Hua; Li, Xiao-Yan; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","[2]Pseudorotaxanes and [2]catenanes constructed by oxacalixcrowns/viologen molecular recognition motifs.","Organic letters","2014","16","22","5894","5897","10.1021/ol502869u","","","0.71073","MoKα","","0.1219","0.0755","","","0.2065","0.2292","","","","","","0.962","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518176","24.3811","0.0008","17.445","0.0006","20.4684","0.0007","90","","91.25","0.001","90","","8703.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H62 F24 N8 O10 P4 -","- C66 H62 F24 N8 O10 P4 -","- C264 H248 F96 N32 O40 P16 -","4","1","","Liu, Hua; Li, Xiao-Yan; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","[2]Pseudorotaxanes and [2]catenanes constructed by oxacalixcrowns/viologen molecular recognition motifs.","Organic letters","2014","16","22","5894","5897","10.1021/ol502869u","","","0.71073","MoKα","","0.1596","0.1016","","","0.2953","0.3298","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518177","16.4977","0.0007","18.1051","0.0008","19.5351","0.0009","90","","90","","90","","5835","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C51 H44 F12 N6 O13 P2 -","- C51 H44 F12 N6 O13 P2 -","- C204 H176 F48 N24 O52 P8 -","4","0.5","","Liu, Hua; Li, Xiao-Yan; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","[2]Pseudorotaxanes and [2]catenanes constructed by oxacalixcrowns/viologen molecular recognition motifs.","Organic letters","2014","16","22","5894","5897","10.1021/ol502869u","","","0.71073","MoKα","","0.0918","0.0709","","","0.2033","0.2265","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518178","8.4366","0.0006","8.812","0.0006","11.1014","0.0008","83.374","0.006","87.099","0.006","87.095","0.006","817.91","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C44 H30 N2 O4 -","2","1","","Wu, Jie; Lan, Jingbo; Guo, Siyuan; You, Jingsong","Pd-catalyzed C-H carbonylation of (hetero)arenes with formates and intramolecular dehydrogenative coupling: a shortcut to indolo[3,2-c]coumarins.","Organic letters","2014","16","22","5862","5865","10.1021/ol502749b","","","0.7107","MoKα","","0.1082","0.0576","","","0.1254","0.1533","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518179","11.7149","0.00016","11.30687","0.00012","13.08437","0.00017","90","","95.1593","0.0012","90","","1726.12","0.04","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Wu, Jie; Lan, Jingbo; Guo, Siyuan; You, Jingsong","Pd-catalyzed C-H carbonylation of (hetero)arenes with formates and intramolecular dehydrogenative coupling: a shortcut to indolo[3,2-c]coumarins.","Organic letters","2014","16","22","5862","5865","10.1021/ol502749b","","x-ray","1.54184","CuKα","","0.0515","0.0469","","","0.1381","0.1433","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518180","13.264","0.002","9.5605","0.0014","14.416","0.002","90","","104.88","0.003","90","","1766.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Br2 N O3 -","- C18 H21 Br2 N O3 -","- C72 H84 Br8 N4 O12 -","4","1","","Mantelingu, Kempegowda; Lin, Yingfu; Seidel, Daniel","Intramolecular [3 + 2]-cycloadditions of azomethine ylides derived from secondary amines via redox-neutral C-H functionalization.","Organic letters","2014","16","22","5910","5913","10.1021/ol502918g","","","0.71073","MoKα","","0.0402","0.0301","","","0.0696","0.0731","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518181","10.5493","0.001","15.5828","0.0015","21.01","0.002","90","","99.522","0.002","90","","3406.2","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 Br2 N O3 -","- C17 H19 Br2 N O3 -","- C136 H152 Br16 N8 O24 -","8","1","","Mantelingu, Kempegowda; Lin, Yingfu; Seidel, Daniel","Intramolecular [3 + 2]-cycloadditions of azomethine ylides derived from secondary amines via redox-neutral C-H functionalization.","Organic letters","2014","16","22","5910","5913","10.1021/ol502918g","","","0.71073","MoKα","","0.038","0.0286","","","0.0697","0.0731","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518182","11.9038","0.0008","9.3509","0.0006","20.79","0.0014","90","","97.402","0.0014","90","","2294.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N O3 -","- C28 H27 N O3 -","- C112 H108 N4 O12 -","4","1","","Mantelingu, Kempegowda; Lin, Yingfu; Seidel, Daniel","Intramolecular [3 + 2]-cycloadditions of azomethine ylides derived from secondary amines via redox-neutral C-H functionalization.","Organic letters","2014","16","22","5910","5913","10.1021/ol502918g","","","0.71073","MoKα","","0.0768","0.0561","","","0.1277","0.1357","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518183","17.7224","0.0017","12.6053","0.0012","8.4669","0.0008","90","","100.641","0.002","90","","1858.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br N O3 -","- C22 H22 Br N O3 -","- C88 H88 Br4 N4 O12 -","4","1","","Mantelingu, Kempegowda; Lin, Yingfu; Seidel, Daniel","Intramolecular [3 + 2]-cycloadditions of azomethine ylides derived from secondary amines via redox-neutral C-H functionalization.","Organic letters","2014","16","22","5910","5913","10.1021/ol502918g","","","0.71073","MoKα","","0.0426","0.0339","","","0.0813","0.085","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518184","14.1928","0.0013","17.7023","0.0016","10.7282","0.001","90","","90","","90","","2695.4","0.4","120","2","119.99","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C24 H27 O9.5 -","- C24 H27 O9.5 -","- C96 H108 O38 -","4","1","","Luo, Jian-Guang; Wang, Xiao-Bing; Xu, Ya-Ming; U'Ren, Jana M; Arnold, A. Elizabeth; Kong, Ling-Yi; Gunatilaka, A. A. Leslie","Delitschiapyrone A, a pyrone-naphthalenone adduct bearing a new pentacyclic ring system from the leaf-associated fungus Delitschia sp. FL1581.","Organic letters","2014","16","22","5944","5947","10.1021/ol502973c","","","0.71073","MoKα","","0.0924","0.0774","","","0.1827","0.1894","","","","","","1.167","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518189","10.7295","0.0006","25.4389","0.0015","32.8409","0.0018","90","","90","","90","","8963.8","0.9","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C49 H66 O2 -","- C49 H66 O2 -","- C392 H528 O16 -","8","1","","Zhang, Jinjin; Xiong, Jiao; Sun, Yangyang; Tang, Ning; Wu, Jincai","Highly Iso-Selective and Active Catalysts of Sodium and Potassium Monophenoxides Capped by a Crown Ether for the Ring-Opening Polymerization ofrac-Lactide","Macromolecules","2014","47","22","7789","","10.1021/ma502000y","","","0.71073","MoKα","","0.1178","0.0621","","","0.1561","0.177","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518190","18.5313","0.0012","15.0763","0.0007","19.009","0.002","90","","113.597","0.012","90","","4866.7","0.8","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H73 K O3 -","- C56 H73 K O3 -","- C224 H292 K4 O12 -","4","1","","Zhang, Jinjin; Xiong, Jiao; Sun, Yangyang; Tang, Ning; Wu, Jincai","Highly Iso-Selective and Active Catalysts of Sodium and Potassium Monophenoxides Capped by a Crown Ether for the Ring-Opening Polymerization ofrac-Lactide","Macromolecules","2014","47","22","7789","","10.1021/ma502000y","","","0.71073","MoKα","","0.0693","0.0517","","","0.1255","0.1357","","","","","","1.007","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518191","13.627","0.0006","20.5145","0.0007","13.926","0.0006","90","","116.816","0.006","90","","3474.4","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C75 H105 K O8 -","- C75 H105 K O8 -","- C150 H210 K2 O16 -","2","1","","Zhang, Jinjin; Xiong, Jiao; Sun, Yangyang; Tang, Ning; Wu, Jincai","Highly Iso-Selective and Active Catalysts of Sodium and Potassium Monophenoxides Capped by a Crown Ether for the Ring-Opening Polymerization ofrac-Lactide","Macromolecules","2014","47","22","7789","","10.1021/ma502000y","","","0.71073","MoKα","","0.084","0.0599","","","0.1216","0.1418","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518192","22.2485","0.0007","30.3361","0.001","19.2625","0.0005","90","","96.56","0.003","90","","12915.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69.1 H96.1 Na O7 -","- C69.1 H96.1 Na O7 -","- C552.8 H768.8 Na8 O56 -","8","2","","Zhang, Jinjin; Xiong, Jiao; Sun, Yangyang; Tang, Ning; Wu, Jincai","Highly Iso-Selective and Active Catalysts of Sodium and Potassium Monophenoxides Capped by a Crown Ether for the Ring-Opening Polymerization ofrac-Lactide","Macromolecules","2014","47","22","7789","","10.1021/ma502000y","","","1.54184","CuKα","","0.0907","0.0725","","","0.1955","0.2146","","","","","","1.057","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518193","15.116","0.003","8.2473","0.0016","12.417","0.003","90","","104.84","0.03","90","","1496.3","0.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F3 N O2 -","- C17 H14 F3 N O2 -","- C68 H56 F12 N4 O8 -","4","1","","Han, Guifang; Wang, Qiang; Liu, Yuxiu; Wang, Qingmin","Copper-mediated α-trifluoromethylation of N-phenylcinnamamides coupled with dearomatization: access to trifluoromethylated 1-azaspiro[4.5]decanes.","Organic letters","2014","16","22","5914","5917","10.1021/ol502921a","","","0.71073","MoKα","","0.0556","0.0436","","","0.1213","0.1301","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518194","10.383","0.002","11.016","0.002","17.728","0.004","90","","90.68","0.03","90","","2027.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 F3 N O4 -","- C22 H20 F3 N O4 -","- C88 H80 F12 N4 O16 -","4","1","","Han, Guifang; Wang, Qiang; Liu, Yuxiu; Wang, Qingmin","Copper-mediated α-trifluoromethylation of N-phenylcinnamamides coupled with dearomatization: access to trifluoromethylated 1-azaspiro[4.5]decanes.","Organic letters","2014","16","22","5914","5917","10.1021/ol502921a","","","0.71073","MoKα","","0.12","0.0882","","","0.2386","0.2655","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518195","37.202","0.003","8.9299","0.001","9.4735","0.0007","90","","90","","90","","3147.2","0.5","294.39","0.1","294.39","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C128 H152 N8 O24 -","8","1","","Li, Pan; Zhao, Jingjing; Xia, Chungu; Li, Fuwei","Direct oxidative coupling of enamides and 1,3-dicarbonyl compounds: a facile and versatile approach to dihydrofurans, furans, pyrroles, and dicarbonyl enamides.","Organic letters","2014","16","22","5992","5995","10.1021/ol503009f","","","0.71073","MoKα","","0.1662","0.0821","","","0.1846","0.2311","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518196","10.3815","0.0004","8.8496","0.0003","16.7103","0.0006","90","","99.942","0.004","90","","1512.16","0.1","292.82","0.1","292.82","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 F2 N O5 -","- C15 H17 F2 N O5 -","- C60 H68 F8 N4 O20 -","4","1","","Wang, Lin; Wei, Xiao-Jing; Jia, Wen-Liang; Zhong, Jian-Ji; Wu, Li-Zhu; Liu, Qiang","Visible-light-driven difluoroacetamidation of unactive arenes and heteroarenes by direct C-H functionalization at room temperature.","Organic letters","2014","16","22","5842","5845","10.1021/ol502676y","","","1.54184","CuKα","","0.0513","0.0476","","","0.1287","0.1328","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518222","14.7963","0.0006","13.6149","0.0005","18.8067","0.0008","90","","129.438","0.0017","90","","2926","0.2","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(EC)3:LiClO4","","","- C9 H12 Cl Li O13 -","- C9 H12 Cl Li O13 -","- C72 H96 Cl8 Li8 O104 -","8","2","","Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.","Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters","The Journal of Physical Chemistry C","2014","118","45","25884","","10.1021/jp5079168","","","0.71073","MoKα","","0.0806","0.0454","","","0.105","0.1192","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518223","26.5286","0.0008","5.1986","0.0002","26.4558","0.0008","90","","117.866","0.0013","90","","3225.49","0.19","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(EC)2:LiClO4","","","- C6 H8 Cl Li O10 -","- C6 H8 Cl Li O10 -","- C72 H96 Cl12 Li12 O120 -","12","3","","Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.","Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters","The Journal of Physical Chemistry C","2014","118","45","25884","","10.1021/jp5079168","","","0.71073","MoKα","","0.0586","0.0435","","","0.1108","0.119","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518224","31.63","0.009","5.1779","0.0015","12.978","0.004","90","","90","","90","","2125.5","1.1","110","","110","","","","","","","","","6","P n a 21","P 2c -2n","33","(EC)2:LiBF4","","","- C6 H8 B F4 Li O6 -","- C6 H8 B F4 Li O6 -","- C48 H64 B8 F32 Li8 O48 -","8","2","","Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.","Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters","The Journal of Physical Chemistry C","2014","118","45","25884","","10.1021/jp5079168","","","0.71073","MoKα","","0.0807","0.0592","","","0.1345","0.1469","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518225","5.156","0.0001","10.4912","0.0002","16.5902","0.0004","90","","107.515","0.0011","90","","855.8","0.03","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(EC)1:LiCF3SO3","","","- C4 H4 F3 Li O6 S -","- C4 H4 F3 Li O6 S -","- C16 H16 F12 Li4 O24 S4 -","4","1","","Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.","Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters","The Journal of Physical Chemistry C","2014","118","45","25884","","10.1021/jp5079168","","","0.71073","MoKα","","0.0403","0.0283","","","0.0739","0.0784","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518226","10.74","0.003","11.985","0.004","16.694","0.005","90","","90","","90","","2148.8","1.1","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(GBL)4:LiPF6","","","- C16 H24 F6 Li O8 P -","- C16 H24 F6 Li O8 P -","- C64 H96 F24 Li4 O32 P4 -","4","1","","Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.","Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters","The Journal of Physical Chemistry C","2014","118","45","25884","","10.1021/jp5079168","","","0.71073","MoKα","","0.146","0.066","","","0.1679","0.2056","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518227","5.0108","0.0003","7.9888","0.0005","9.7127","0.0007","88.487","0.003","82.677","0.003","73.945","0.003","370.57","0.04","110","","110","","","","","","","","","5","P -1","-P 1","2","(GBL)1:LiClO4","","","- C4 H6 Cl Li O6 -","- C4 H6 Cl Li O6 -","- C8 H12 Cl2 Li2 O12 -","2","1","","Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.","Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters","The Journal of Physical Chemistry C","2014","118","45","25884","","10.1021/jp5079168","","","0.71073","MoKα","","0.0353","0.0301","","","0.0812","0.0838","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518228","5.0857","0.0012","8.0239","0.0018","11.052","0.003","88.389","0.004","85.458","0.009","73.193","0.006","430.37","0.18","110","","110","","","","","","","","","5","P -1","-P 1","2","(GVL)1:LiClO4","","","- C5 H8 Cl Li O6 -","- C5 H8 Cl Li O6 -","- C10 H16 Cl2 Li2 O12 -","2","1","","Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.","Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters","The Journal of Physical Chemistry C","2014","118","45","25884","","10.1021/jp5079168","","","0.71073","MoKα","","0.0456","0.0361","","","0.0945","0.0984","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518229","5.0642","0.0002","9.9457","0.0003","14.6921","0.0005","90","","90","","90","","740","0.04","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(GBL)1:LiBF4","","","- C4 H6 B F4 Li O2 -","- C4 H6 B F4 Li O2 -","- C16 H24 B4 F16 Li4 O8 -","4","1","","Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.","Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters","The Journal of Physical Chemistry C","2014","118","45","25884","","10.1021/jp5079168","","","0.71073","MoKα","","0.058","0.0388","","","0.0937","0.1034","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518230","10.4705","0.0004","17.4648","0.0007","19.037","0.0007","90","","122.592","0.0016","90","","2933","0.2","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(GBL)1:LiCF3SO3","","","- C15 H18 F9 Li3 O15 S3 -","- C15 H18 F9 Li3 O15 S3 -","- C60 H72 F36 Li12 O60 S12 -","4","1","","Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.","Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters","The Journal of Physical Chemistry C","2014","118","45","25884","","10.1021/jp5079168","","","0.71073","MoKα","","0.0916","0.0557","","","0.1406","0.1628","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518235","17.9092","0.0013","6.1043","0.0005","17.9815","0.0013","90","","102.833","0.002","90","","1916.7","0.3","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H33 N O5 S -","- C15 H33 N O5 S -","- C60 H132 N4 O20 S4 -","4","1","","Maolanon, Alex R.; Villadsen, Jesper S.; Christensen, Niels J.; Hoeck, Casper; Friis, Tina; Harris, Pernille; Gotfredsen, Charlotte H.; Fristrup, Peter; Olsen, Christian A.","Methyl effect in azumamides provides insight into histone deacetylase inhibition by macrocycles.","Journal of medicinal chemistry","2014","57","22","9644","9657","10.1021/jm501399d","","","0.71073","MoKα","","0.0784","0.0479","","","0.076","0.1118","","","","","","1.186","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518236","6.0994","0.0017","22.475","0.006","11.962","0.004","90","","91.895","0.005","90","","1638.9","0.8","120","2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H27 N O4 S -","- C13 H27 N O4 S -","- C52 H108 N4 O16 S4 -","4","2","","Maolanon, Alex R.; Villadsen, Jesper S.; Christensen, Niels J.; Hoeck, Casper; Friis, Tina; Harris, Pernille; Gotfredsen, Charlotte H.; Fristrup, Peter; Olsen, Christian A.","Methyl effect in azumamides provides insight into histone deacetylase inhibition by macrocycles.","Journal of medicinal chemistry","2014","57","22","9644","9657","10.1021/jm501399d","","","0.71073","MoKα","","0.167","0.0828","","","0.1511","0.189","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518237","9.0844","0.0006","7.373","0.0005","23.5319","0.0015","90","","90.457","0.004","90","","1576.1","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TTPO","5,6,7-trithiapentacene-13-one","","- C22 H10 O S3 -","- C22 H10 O S3 -","- C88 H40 O4 S12 -","4","1","","Kintigh, Jeremy T.; Hodgson, Jennifer L.; Singh, Anup; Pramanik, Chandrani; Larson, Amanda M.; Zhou, Lei; Briggs, Jonathan B.; Noll, Bruce C.; Kheirkhahi, Erfan; Pohl, Karsten; McGruer, Nicol E.; Miller, Glen P.","A Robust, High-Temperature Organic Semiconductor","The Journal of Physical Chemistry C","2014","118","46","26955","","10.1021/jp505011x","","","1.54178","CuKα","","0.0629","0.0459","","","0.1221","0.1326","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518238","13.021","0.003","5.756","0.0012","13.563","0.003","90","","96.16","0.03","90","","1010.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C44 H56 O8 -","4","1","","Wang, Yang; Ren, Wenlong; Li, Jingfu; Wang, Haining; Shi, Yian","Facile palladium-catalyzed hydrocarboxylation of olefins without external CO gas.","Organic letters","2014","16","22","5960","5963","10.1021/ol502987f","","","0.71073","MoKα","","0.0886","0.0554","","","0.1447","0.1705","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518258","7.9515","0.0012","9.9767","0.0016","23.502","0.004","90","","97.878","0.003","90","","1846.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N5 O2 -","- C20 H20 Cl N5 O2 -","- C80 H80 Cl4 N20 O8 -","4","1","","Xu, Renbo; Luo, Ming; Xia, Rui; Meng, Xiaoqing; Xu, Xiaoyong; Xu, Zhiping; Cheng, Jiagao; Shao, Xusheng; Li, Houju; Li, Zhong","Seven-membered azabridged neonicotinoids: synthesis, crystal structure, insecticidal assay, and molecular docking studies.","Journal of agricultural and food chemistry","2014","62","46","11070","11079","10.1021/jf504014y","","","0.71073","MoKα","","0.0644","0.0542","","","0.1462","0.1541","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518259","7.6569","0.0002","11.8132","0.0002","20.0558","0.0004","101.899","0.0008","99.735","0.001","99.57","0.0008","1711.09","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 B Br S2 -","- C40 H42 B Br S2 -","- C80 H84 B2 Br2 S4 -","2","1","","Guo, F.; Yin, X.; Pammer, F.; Cheng, F.; Fernandez, D.; Lalancette, R. A.; Jäkle, F.","Regioregular Organoborane-Functionalized Poly(3-alkynylthiophene)s","Macromolecules","2014","47","22","7831","","10.1021/ma501969q","","","1.54178","CuKα","","0.026","0.025","","","0.064","0.065","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518260","10.7368","0.0002","11.2064","0.0002","14.9593","0.0003","90.977","0.0008","107.773","0.0008","113.848","0.0008","1547.15","0.05","102","2","102","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 B Br S Sn -","- C33 H36 B Br S Sn -","- C66 H72 B2 Br2 S2 Sn2 -","2","1","","Guo, F.; Yin, X.; Pammer, F.; Cheng, F.; Fernandez, D.; Lalancette, R. A.; Jäkle, F.","Regioregular Organoborane-Functionalized Poly(3-alkynylthiophene)s","Macromolecules","2014","47","22","7831","","10.1021/ma501969q","","","1.54178","CuKα","","0.021","0.021","","","0.055","0.055","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518261","7.4367","0.0003","10.056","0.0005","20.4018","0.0009","90","","90","","90","","1525.72","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C72 H64 Br4 N4 O8 -","4","1","","Dhanasekaran, Sivasankaran; Bisai, Vishnumaya; Unhale, Rajshekhar A.; Suneja, Arun; Singh, Vinod K.","A General Catalytic Route to Isoindolinones and Tetrahydroisoquinolines: Application in the Synthesis of (±)-Crispine A.","Organic letters","2014","16","23","6068","","10.1021/ol502842f","","","0.71073","MoKα","","0.0258","0.023","","","0.0552","0.0562","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1518262","8.086","0.0012","8.8985","0.0014","20.084","0.003","89.551","0.004","83.782","0.004","84.105","0.004","1429","0.4","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H37 N O4 S Si -","- C28 H37 N O4 S Si -","- C56 H74 N2 O8 S2 Si2 -","2","1","","Feng, Chao; Feng, Daming; Luo, Yang; Loh, Teck-Peng","Rhodium(III)-catalyzed olefinic C-H alkynylation of acrylamides using tosyl-imide as directing group.","Organic letters","2014","16","22","5956","5959","10.1021/ol502984g","","","0.71073","MoKα","","0.159","0.1233","","","0.3208","0.3446","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518263","8.1372","0.0001","8.8688","0.0001","9.2448","0.0001","85.665","0.001","71.248","0.001","78.759","0.001","619.577","0.013","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 F3 O S -","- C14 H9 F3 O S -","- C28 H18 F6 O2 S2 -","2","1","","Kwiatkowski, Piotr; Cholewiak, Agnieszka; Kasztelan, Adrian","Efficient and highly enantioselective construction of trifluoromethylated quaternary stereogenic centers via high-pressure mediated organocatalytic conjugate addition of nitromethane to β,β-disubstituted enones.","Organic letters","2014","16","22","5930","5933","10.1021/ol502941d","","","0.71073","MoKα","","0.0368","0.0324","","","0.0887","0.0925","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518264","9.6417","0.0002","10.208","0.0002","14.8652","0.0003","90","","90","","90","","1463.07","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 F3 N O3 S -","- C15 H12 F3 N O3 S -","- C60 H48 F12 N4 O12 S4 -","4","1","","Kwiatkowski, Piotr; Cholewiak, Agnieszka; Kasztelan, Adrian","Efficient and highly enantioselective construction of trifluoromethylated quaternary stereogenic centers via high-pressure mediated organocatalytic conjugate addition of nitromethane to β,β-disubstituted enones.","Organic letters","2014","16","22","5930","5933","10.1021/ol502941d","","","0.71073","MoKα","","0.04","0.0323","","","0.0706","0.0746","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518265","9.1017","0.0004","10.9849","0.0005","14.3201","0.0007","90","","90","","90","","1431.74","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 F3 N2 O3 S -","- C14 H11 F3 N2 O3 S -","- C56 H44 F12 N8 O12 S4 -","4","1","","Kwiatkowski, Piotr; Cholewiak, Agnieszka; Kasztelan, Adrian","Efficient and highly enantioselective construction of trifluoromethylated quaternary stereogenic centers via high-pressure mediated organocatalytic conjugate addition of nitromethane to β,β-disubstituted enones.","Organic letters","2014","16","22","5930","5933","10.1021/ol502941d","","","0.71073","MoKα","","0.0505","0.0358","","","0.0647","0.0695","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518266","9.6275","0.0019","22.502","0.004","20.134","0.004","90","","103.262","0.005","90","","4245.5","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C208 H176 N16 O24 -","8","2","","Li, Deng Yuan; Chen, Hao Jie; Liu, Pei Nian","Rhodium-Catalyzed Oxidative Annulation of Hydrazines with Alkynes Using a Nitrobenzene Oxidant.","Organic letters","2014","16","23","6176","","10.1021/ol5030794","","","0.71073","MoKα","","0.2027","0.0703","","","0.139","0.1854","","","","","","0.923","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518267","13.4742","0.0012","9.3259","0.0008","14.3879","0.0012","90","","96.755","0.002","90","","1795.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Li, Deng Yuan; Chen, Hao Jie; Liu, Pei Nian","Rhodium-Catalyzed Oxidative Annulation of Hydrazines with Alkynes Using a Nitrobenzene Oxidant.","Organic letters","2014","16","23","6176","","10.1021/ol5030794","","","0.71073","MoKα","","0.0594","0.0444","","","0.1124","0.1242","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518268","12.729","0.003","8.6285","0.0017","17.199","0.003","90","","99.28","0.03","90","","1864.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br2 N2 -","- C22 H16 Br2 N2 -","- C88 H64 Br8 N8 -","4","1","","Wen, Jia-Jie; Tang, Hai-Tao; Xiong, Kai; Ding, Zong-Cang; Zhan, Zhuang-Ping","Synthesis of polysubstituted pyrazoles by a platinum-catalyzed sigmatropic rearrangement/cyclization cascade.","Organic letters","2014","16","22","5940","5943","10.1021/ol502968c","","","0.71073","MoKα","","0.1172","0.0815","","","0.2054","0.2946","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518269","9.584","0.003","4.1885","0.0011","11.089","0.003","90","","93.215","0.004","90","","444.4","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H6 Br N O -","- C9 H6 Br N O -","- C18 H12 Br2 N2 O2 -","2","1","","Chen, Wenwen; Wang, Bo; Liu, Nan; Huang, Dayun; Wang, Xinyan; Hu, Yuefei","Tandem Synthesis of 3-Halo-5-Substituted Isoxazoles from 1-Copper(I) Alkynes and Dihaloformaldoximes.","Organic letters","2014","16","23","6140","","10.1021/ol503008t","","","0.71073","MoKα","","0.1128","0.0474","","","0.09","0.1094","","","","","","0.939","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518270","13.3503","0.0015","26.402","0.003","11.0275","0.0012","90","","90","","90","","3886.9","0.8","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H18 Br F3 N2 O5 -","- C17 H18 Br F3 N2 O5 -","- C136 H144 Br8 F24 N16 O40 -","8","2","","Li, Lei; Guo, Jing-Yao; Liu, Xing-Guo; Chen, Su; Wang, Yong; Tan, Bin; Liu, Xin-Yuan","Amide groups switch selectivity: C-H trifluoromethylation of α,β-unsaturated amides and subsequent asymmetric transformation.","Organic letters","2014","16","22","6032","6035","10.1021/ol503067g","","","0.71073","MoKα","","0.1517","0.0575","","","0.1552","0.1986","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518271","8.9671","0.0004","5.4454","0.0002","19.6033","0.0013","90","","96.926","0.007","90","","950.23","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 F3 N O3 -","- C8 H8 F3 N O3 -","- C32 H32 F12 N4 O12 -","4","1","","Li, Lei; Guo, Jing-Yao; Liu, Xing-Guo; Chen, Su; Wang, Yong; Tan, Bin; Liu, Xin-Yuan","Amide groups switch selectivity: C-H trifluoromethylation of α,β-unsaturated amides and subsequent asymmetric transformation.","Organic letters","2014","16","22","6032","6035","10.1021/ol503067g","","","1.54187","CuKα","","","0.0963","","","","0.2951","","","","","","1.397","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518272","8.531","0.002","11.497","0.003","20.128","0.006","85.723","0.007","89.4","0.009","85.923","0.008","1963.7","0.9","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 N O2 S -","- C22 H27 N O2 S -","- C88 H108 N4 O8 S4 -","4","2","","Cai, Pei-Jun; Wang, Yi; Liu, Cheng-Hang; Yu, Zhi-Xiang","Gold(I)-catalyzed polycyclization of linear dienediynes to seven-membered ring-containing polycycles via tandem cyclopropanation/Cope rearrangement/C-H activation.","Organic letters","2014","16","22","5898","5901","10.1021/ol5028706","","","0.71073","MoKα","","0.0767","0.047","","","0.0875","0.0971","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518273","6.3758","0.0001","7.2968","0.0003","23.1833","0.0009","90","","90.148","0.005","90","","1078.55","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H31 N O5 S Si -","- C19 H31 N O5 S Si -","- C38 H62 N2 O10 S2 Si2 -","2","1","","Kern, Nicolas; Felten, Anne-Sophie; Weibel, Jean-Marc; Pale, Patrick; Blanc, Aurélien","Robust Synthesis of N-Sulfonylazetidine Building Blocks via Ring Contraction of α-Bromo N-Sulfonylpyrrolidinones.","Organic letters","2014","16","23","6104","","10.1021/ol5029496","","x-ray","0.71069","MoKα","","0.0602","0.0452","","","0.086","0.0926","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518274","7.0702","0.0006","12.6435","0.0005","12.345","0.001","90","","95.852","0.003","90","","1097.79","0.14","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H28 Br N O4 S Si -","- C18 H28 Br N O4 S Si -","- C36 H56 Br2 N2 O8 S2 Si2 -","2","1","","Kern, Nicolas; Felten, Anne-Sophie; Weibel, Jean-Marc; Pale, Patrick; Blanc, Aurélien","Robust Synthesis of N-Sulfonylazetidine Building Blocks via Ring Contraction of α-Bromo N-Sulfonylpyrrolidinones.","Organic letters","2014","16","23","6104","","10.1021/ol5029496","","","0.71073","MoKα","","0.0791","0.045","","","0.0975","0.1248","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518281","15.5983","0.0006","12.4215","0.0003","16.8136","0.0007","90","","117.23","0.005","90","","2896.7","0.2","200","","200","","","","","","","","see text","3","P 1 21 1","P 2yb","4","Vaticanol B permethyl analog","","","- C66 H62 O12 -","- C66 H62 O12 -","- C132 H124 O24 -","2","1","","Davis, Rohan A.; Beattie, Karren D.; Xu, Min; Yang, Xinzhou; Yin, Sheng; Holla, Harish; Healy, Peter C.; Sykes, Melissa; Shelper, Todd; Avery, Vicky M.; Elofsson, Mikael; Sundin, Charlotta; Quinn, Ronald J.","Solving the Supply of Resveratrol Tetramers from Papua New Guinean Rainforest Anisoptera Species That Inhibit Bacterial Type III Secretion Systems.","Journal of natural products","2014","77","12","2633","2640","10.1021/np500433z","","x-ray","0.7107","MoKα","","0.1173","0.0572","","","0.1337","0.1498","","","","","","0.839","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518282","24.7926","0.0009","9.6843","0.0003","22.7656","0.0008","90","","116.891","0.0017","90","","4874.9","0.3","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2-6-DMPy)1-2-LiTFSI","","- C22 H18 F24 Li4 N6 O16 S8 -","- C22 H18 F24 Li4 N6 O16 S8 -","- C88 H72 F96 Li16 N24 O64 S32 -","4","1","","Seo, Daniel M.; Boyle, Paul D.; Sommer, Roger D.; Daubert, James S.; Borodin, Oleg; Henderson, Wesley A.","Solvate structures and spectroscopic characterization of LiTFSI electrolytes.","The journal of physical chemistry. B","2014","118","47","13601","13608","10.1021/jp505006x","","","0.71073","MoKα","","0.0948","0.0618","","","0.1575","0.1703","","","","","","1.135","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518283","13.66","0.006","15.166","0.007","16.582","0.005","90","","116.833","0.007","90","","3065","2","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2-9-DMPHEN)2-LiTFSI","","- C30 H24 F6 Li N5 O4 S2 -","- C30 H24 F6 Li N5 O4 S2 -","- C120 H96 F24 Li4 N20 O16 S8 -","4","1","","Seo, Daniel M.; Boyle, Paul D.; Sommer, Roger D.; Daubert, James S.; Borodin, Oleg; Henderson, Wesley A.","Solvate structures and spectroscopic characterization of LiTFSI electrolytes.","The journal of physical chemistry. B","2014","118","47","13601","13608","10.1021/jp505006x","","","0.71073","MoKα","","0.0628","0.039","","","0.0959","0.1075","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518284","28.7748","0.0018","8.5669","0.0005","17.3887","0.0011","90","","113.895","0.004","90","","3919.1","0.4","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","DS938","(G3)-LiTFSI","","- C10 H18 F6 Li N O8 S2 -","- C10 H18 F6 Li N O8 S2 -","- C80 H144 F48 Li8 N8 O64 S16 -","8","1","","Seo, Daniel M.; Boyle, Paul D.; Sommer, Roger D.; Daubert, James S.; Borodin, Oleg; Henderson, Wesley A.","Solvate structures and spectroscopic characterization of LiTFSI electrolytes.","The journal of physical chemistry. B","2014","118","47","13601","13608","10.1021/jp505006x","","","0.71073","MoKα","","0.1386","0.0762","","","0.1821","0.2388","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518285","19.363","0.006","12.764","0.002","29.777","0.008","90","","98.371","0.017","90","","7281","3","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(PHEN)3-LiTFSI","","- C38 H24 F6 Li N7 O4 S2 -","- C38 H24 F6 Li N7 O4 S2 -","- C304 H192 F48 Li8 N56 O32 S16 -","8","2","","Seo, Daniel M.; Boyle, Paul D.; Sommer, Roger D.; Daubert, James S.; Borodin, Oleg; Henderson, Wesley A.","Solvate structures and spectroscopic characterization of LiTFSI electrolytes.","The journal of physical chemistry. B","2014","118","47","13601","13608","10.1021/jp505006x","","","0.71073","MoKα","","0.1562","0.058","","","0.1119","0.1396","","","","","","0.985","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518286","8.4372","0.0009","16.6637","0.0019","11.7836","0.0012","90","","91.114","0.004","90","","1656.4","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 Cl N2 O3 P -","- C13 H24 Cl N2 O3 P -","- C52 H96 Cl4 N8 O12 P4 -","4","1","","Stukenbroeker, Tyler S.; Solis-Ibarra, Diego; Waymouth, Robert M.","Synthesis and Topological Trapping of Cyclic Poly(alkylene phosphates)","Macromolecules","2014","47","23","8224","","10.1021/ma501764c","","","0.71073","MoKα","","0.035","0.0304","","","0.0753","0.0784","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518287","12.1929","0.0009","8.855","0.0007","22.6406","0.0017","90","","93.615","0.001","90","","2439.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N O -","- C32 H27 N O -","- C128 H108 N4 O4 -","4","1","","Gangadhararao, G.; Uruvakilli, Anasuyamma; Swamy, K. C. Kumara","Brønsted Acid Mediated Alkenylation and Copper-Catalyzed Aerobic Oxidative Ring Expansion/Intramolecular Electrophilic Substitution of Indoles with Propargyl Alcohols: A Novel One-Pot Approach to Cyclopenta[c]quinolines.","Organic letters","2014","16","23","6060","","10.1021/ol502783j","","","0.71073","MoKα","","0.069","0.061","","","0.1373","0.1421","","","","","","1.172","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518288","11.424","0.0016","9.4223","0.001","21.475","0.003","90","","99.68","0.013","90","","2278.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 N O -","- C32 H25 N O -","- C128 H100 N4 O4 -","4","1","","Gangadhararao, G.; Uruvakilli, Anasuyamma; Swamy, K. C. Kumara","Brønsted Acid Mediated Alkenylation and Copper-Catalyzed Aerobic Oxidative Ring Expansion/Intramolecular Electrophilic Substitution of Indoles with Propargyl Alcohols: A Novel One-Pot Approach to Cyclopenta[c]quinolines.","Organic letters","2014","16","23","6060","","10.1021/ol502783j","","","0.71073","MoKα","","0.0651","0.0427","","","0.0973","0.1078","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518289","14.348","0.0014","16.969","0.002","19.737","0.002","90","","90","","90","","4805.4","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H27 N -","- C32 H27 N -","- C256 H216 N8 -","8","1","","Gangadhararao, G.; Uruvakilli, Anasuyamma; Swamy, K. C. Kumara","Brønsted Acid Mediated Alkenylation and Copper-Catalyzed Aerobic Oxidative Ring Expansion/Intramolecular Electrophilic Substitution of Indoles with Propargyl Alcohols: A Novel One-Pot Approach to Cyclopenta[c]quinolines.","Organic letters","2014","16","23","6060","","10.1021/ol502783j","","","0.71073","MoKα","","0.1746","0.0619","","","0.0854","0.1162","","","","","","0.842","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518290","8.472","0.003","10.696","0.003","14.252","0.004","96.111","0.006","90.184","0.006","94.806","0.006","1279.5","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H27 N3 O5 -","- C29 H27 N3 O5 -","- C58 H54 N6 O10 -","2","1","","Wang, Bo; Lu, Chengxi; Zhang, Shu-Yu; He, Gang; Nack, William A.; Chen, Gong","Palladium-Catalyzed Stereoretentive Olefination of Unactivated C(sp(3))-H Bonds with Vinyl Iodides at Room Temperature: Synthesis of β-Vinyl α-Amino Acids.","Organic letters","2014","16","23","6260","","10.1021/ol503248f","","","0.71073","MoKα","","0.1123","0.0668","","","0.1823","0.2059","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518291","15.44","0.005","21.826","0.007","13.714","0.004","90","","110.809","0.006","90","","4320","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N3 O4 -","- C26 H21 N3 O4 -","- C208 H168 N24 O32 -","8","1","","Wang, Bo; Lu, Chengxi; Zhang, Shu-Yu; He, Gang; Nack, William A.; Chen, Gong","Palladium-Catalyzed Stereoretentive Olefination of Unactivated C(sp(3))-H Bonds with Vinyl Iodides at Room Temperature: Synthesis of β-Vinyl α-Amino Acids.","Organic letters","2014","16","23","6260","","10.1021/ol503248f","","","0.71073","MoKα","","0.0903","0.0541","","","0.127","0.1421","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518292","9.1715","0.0007","6.5653","0.0004","11.0048","0.0009","90","","92.975","0.001","90","","661.75","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Wang, Bin-Gui","Penicibilaenes A and B, Sesquiterpenes with a Tricyclo[6.3.1.0(1,5)]dodecane Skeleton from the Marine Isolate of Penicillium bilaiae MA-267.","Organic letters","2014","16","23","6052","","10.1021/ol503046u","","","1.54178","CuKα","","0.0354","0.0339","","","0.0864","0.0878","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518293","6.9819","0.0007","7.4115","0.0006","15.405","0.0011","90","","93.279","0.006","90","","795.85","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C34 H52 O6 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Wang, Bin-Gui","Penicibilaenes A and B, Sesquiterpenes with a Tricyclo[6.3.1.0(1,5)]dodecane Skeleton from the Marine Isolate of Penicillium bilaiae MA-267.","Organic letters","2014","16","23","6052","","10.1021/ol503046u","","","1.54178","CuKα","","0.1264","0.0683","","","0.1234","0.1538","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518294","7.564","0.005","23.309","0.005","12.081","0.005","90","0.005","100.459","0.005","90","0.005","2094.6","1.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","","Dutta, Uttam; Maity, Soham; Kancherla, Rajesh; Maiti, Debabrata","Aerobic oxynitration of alkynes with (t)BuONO and TEMPO.","Organic letters","2014","16","24","6302","6305","10.1021/ol503025n","","","1.5418","CuKα","","0.078","0.0588","","","0.2098","0.2575","","","","","","1.177","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518295","21.841","0.004","13.887","0.003","11.976","0.002","90","","93.43","0.03","90","","3625.9","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C144 H184 N24 O24 -","8","1","","Dutta, Uttam; Maity, Soham; Kancherla, Rajesh; Maiti, Debabrata","Aerobic oxynitration of alkynes with (t)BuONO and TEMPO.","Organic letters","2014","16","24","6302","6305","10.1021/ol503025n","","","0.71073","MoKα","","0.0634","0.0456","","","0.1208","0.1331","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518296","9.2055","0.0004","13.5568","0.0005","23.141","0.0008","90","","90","","90","","2887.93","0.19","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 Cl N3 O4 Si -","- C24 H38 Cl N3 O4 Si -","- C96 H152 Cl4 N12 O16 Si4 -","4","1","","Liu, Bin; Liu, Tong-Yu; Luo, Shi-Wei; Gong, Liu-Zhu","Asymmetric Hetero-Diels-Alder Reaction of Diazenes Catalyzed by Chiral Silver Phosphate: Water Participates in the Catalysis and Stereocontrol.","Organic letters","2014","16","23","6164","","10.1021/ol503047s","","","1.54184","CuKα","","0.134","0.1116","","","0.232","0.2464","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518297","6.3291","0.0005","11.9237","0.0012","12.5356","0.0015","64.953","0.011","82.314","0.008","87.201","0.007","849.32","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 B F2 N3 -","- C21 H14 B F2 N3 -","- C42 H28 B2 F4 N6 -","2","1","","Luo, Liang; Wu, Di; Li, Wei; Zhang, Shuai; Ma, Yuanhong; Yan, Su; You, Jingsong","Regioselective Decarboxylative Direct C-H Arylation of Boron Dipyrromethenes (BODIPYs) at 2,6-Positions: A Facile Access to a Diversity-Oriented BODIPY Library.","Organic letters","2014","16","23","6080","","10.1021/ol502883x","","x-ray","1.54184","CuKα","","0.0933","0.0602","","","0.1456","0.1716","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518298","10.1332","0.0013","10.6774","0.0013","13.4051","0.0013","113.01","0.01","92.431","0.009","102.849","0.01","1288","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H18 B F7 N2 O2 -","- C29 H18 B F7 N2 O2 -","- C58 H36 B2 F14 N4 O4 -","2","1","","Luo, Liang; Wu, Di; Li, Wei; Zhang, Shuai; Ma, Yuanhong; Yan, Su; You, Jingsong","Regioselective Decarboxylative Direct C-H Arylation of Boron Dipyrromethenes (BODIPYs) at 2,6-Positions: A Facile Access to a Diversity-Oriented BODIPY Library.","Organic letters","2014","16","23","6080","","10.1021/ol502883x","","x-ray","0.71","MoKα","","0.1408","0.0703","","","0.1546","0.2029","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518299","9.7368","0.0011","10.0377","0.0011","10.8538","0.0012","90","","98.496","0.0013","90","","1049.2","0.2","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C44 H56 O16 -","2","1","","Yun, Young Sook; Fukaya, Haruhiko; Nakane, Takahisa; Takano, Akihito; Takahashi, Shigeru; Takahashi, Yuji; Inoue, Hideshi","A New Bis-seco-abietane Diterpenoid from Hyptis crenata Pohl ex Benth.","Organic letters","2014","16","23","6188","","10.1021/ol503086n","","","0.71073","MoKα","","0.034","0.0313","","","0.0708","0.0726","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518300","12.8499","0.0007","10.5117","0.0006","12.0432","0.0006","90","","109.182","0.001","90","","1536.41","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C72 H68 N4 O8 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","One-Pot Access to Sulfonylmethyl Arylpyrroles via the Domino Aerobic Wacker-Type Aminocyclization/1,4-Sulfonyl Migration.","Organic letters","2014","16","23","6252","","10.1021/ol5032238","","","0.71073","MoKα","","0.0372","0.032","","","0.0786","0.082","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518301","8.85","0.002","9.016","0.002","10.514","0.003","111.443","0.011","92.219","0.013","94.247","0.012","776.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F N O2 S -","- C18 H16 F N O2 S -","- C36 H32 F2 N2 O4 S2 -","2","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","One-Pot Access to Sulfonylmethyl Arylpyrroles via the Domino Aerobic Wacker-Type Aminocyclization/1,4-Sulfonyl Migration.","Organic letters","2014","16","23","6252","","10.1021/ol5032238","","","0.71073","MoKα","","0.0515","0.04","","","0.1208","0.1505","","","","","","1.201","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518302","8.617","0.004","9.533","0.005","11.024","0.005","82.313","0.01","85.656","0.011","79.88","0.01","882.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 F3 N O2 S -","- C19 H16 F3 N O2 S -","- C38 H32 F6 N2 O4 S2 -","2","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","One-Pot Access to Sulfonylmethyl Arylpyrroles via the Domino Aerobic Wacker-Type Aminocyclization/1,4-Sulfonyl Migration.","Organic letters","2014","16","23","6252","","10.1021/ol5032238","","","0.71073","MoKα","","0.0483","0.0377","","","0.0934","0.1019","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518303","5.3773","0.0013","25.658","0.007","14.111","0.004","90","","90","","90","","1946.9","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br N2 O2 -","- C23 H17 Br N2 O2 -","- C92 H68 Br4 N8 O8 -","4","1","","Fan, Yan-Sen; Jiang, Yi-Jun; An, Dong; Sha, Di; Antilla, Jon C.; Zhang, Suoqin","H8-BINOL Chiral Imidodiphosphoric Acids Catalyzed Enantioselective Synthesis of Dihydroindolo-/-pyrrolo[1,2-a]quinoxalines.","Organic letters","2014","16","23","6112","","10.1021/ol502965p","","","0.71073","MoKα","","0.0948","0.0616","","","0.1424","0.161","","","","","","0.974","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518304","13.8842","0.0006","5.6862","0.0002","14.2638","0.0006","90","","108.43","0.001","90","","1068.35","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 Cl N2 O2 -","- C26 H21 Cl N2 O2 -","- C52 H42 Cl2 N4 O4 -","2","1","","Fan, Yan-Sen; Jiang, Yi-Jun; An, Dong; Sha, Di; Antilla, Jon C.; Zhang, Suoqin","H8-BINOL Chiral Imidodiphosphoric Acids Catalyzed Enantioselective Synthesis of Dihydroindolo-/-pyrrolo[1,2-a]quinoxalines.","Organic letters","2014","16","23","6112","","10.1021/ol502965p","","","0.71073","MoKα","","0.0832","0.0475","","","0.0963","0.1138","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518305","6.6247","0.0004","4.8406","0.0003","17.9155","0.001","90","","90.42","0.002","90","","574.49","0.06","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 N2 O2 S -","- C12 H14 N2 O2 S -","- C24 H28 N4 O4 S2 -","2","1","","Baumann, Marcus; Baxendale, Ian R.","Sustainable Synthesis of Thioimidazoles via Carbohydrate-Based Multicomponent Reactions.","Organic letters","2014","16","23","6076","","10.1021/ol502845h","","x-ray","0.71073","MoKα","","0.0354","0.0325","","","0.0776","0.0794","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518306","7.86783","0.00013","16.1933","0.0003","18.4016","0.0003","90","","90","","90","","2344.48","0.07","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl2 N2 O7 S -","- C20 H22 Cl2 N2 O7 S -","- C80 H88 Cl8 N8 O28 S4 -","4","1","","Baumann, Marcus; Baxendale, Ian R.","Sustainable Synthesis of Thioimidazoles via Carbohydrate-Based Multicomponent Reactions.","Organic letters","2014","16","23","6076","","10.1021/ol502845h","","","0.71073","MoKα","","0.0361","0.0332","","","0.0791","0.0809","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518307","17.667","0.002","16.0607","0.0019","19.997","0.003","90","","99.748","0.002","90","","5592.1","1.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 O -","- C38 H26 O -","- C304 H208 O8 -","8","2","","Gu, Songlin; Luo, Lei; Liu, Jingjing; Bai, Lu; Zheng, Huayu; Wang, Yaoyu; Luan, Xinjun","Palladium(II)-Catalyzed Oxidative Dearomatization of Free Naphthols with Two Alkyne Units.","Organic letters","2014","16","23","6132","","10.1021/ol502997d","","","0.71073","MoKα","","0.1246","0.055","","","0.1149","0.1479","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518311","15.625","0.001","17.086","0.001","22.289","0.002","90","","131.467","0.008","90","","4458.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O2 Pt -","- C26 H22 N2 O2 Pt -","- C208 H176 N16 O16 Pt8 -","8","2","","Michele Benedetti; Daniela Antonucci; Chiara R. Girelli; Francesco Capitelli; Francesco P. Fanizzi","Reactivity of [PtCl(n2-C2H4)(N-N)]+, N-N = diimine ligand, with phenol derivatives and first comparison between single crystal X-ray structures of syn- and anti-[Pt(N-N)(phenolate)2] rotamers in the solid state","Inorganica Chimica Acta","2014","409","","427","432","","","","0.71073","MoKα","","0.1434","0.0613","","","0.0877","0.1114","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518312","11.4849","0.0011","13.7081","0.0005","16.4876","0.0014","90","","103.268","0.01","90","","2526.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Cl3 N2 O2 Pt -","- C25 H23 Cl3 N2 O2 Pt -","- C100 H92 Cl12 N8 O8 Pt4 -","4","1","","Michele Benedetti; Daniela Antonucci; Chiara R. Girelli; Francesco Capitelli; Francesco P. Fanizzi","Reactivity of [PtCl(n2-C2H4)(N-N)]+, N-N = diimine ligand, with phenol derivatives and first comparison between single crystal X-ray structures of syn- and anti-[Pt(N-N)(phenolate)2] rotamers in the solid state","Inorganica Chimica Acta","2014","409","","427","432","","","","0.71073","MoKα","","0.1526","0.0656","","","0.0909","0.1166","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518349","11.47","0.007","5.221","0.003","23.203","0.014","90","","98.103","0.019","90","","1375.6","1.4","199","2","199","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N5 O4 -","- C14 H13 N5 O4 -","- C56 H52 N20 O16 -","4","1","","Ivanova, B.; Spiteller, M.","Solid-state determination of hop bitter acids in beer by UV-MALDI-Orbitrap Mass spectrometry","Journal of Food Measurement and Characterization","2014","8","4","343","355","10.1007/s11694-014-9195-2","","","0.71073","MoKα","","0.1312","0.0812","","","0.1829","0.2105","","","","","","0.931","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518350","7.019","0.003","8.246","0.004","13.185","0.006","101.75","0.013","101.632","0.013","97.841","0.013","719.2","0.6","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N6 O6 -","- C11 H16 N6 O6 -","- C22 H32 N12 O12 -","2","1","","Ivanova, B.; Spiteller, M.","Solid-state determination of hop bitter acids in beer by UV-MALDI-Orbitrap Mass spectrometry","Journal of Food Measurement and Characterization","2014","8","4","343","355","10.1007/s11694-014-9195-2","","","0.71073","MoKα","","0.129","0.0712","","","0.16","0.1953","","","","","","0.933","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518351","4.456","0.003","9.632","0.008","10.51","0.009","115.22","0.02","96.23","0.03","94.68","0.02","401.6","0.6","199","2","199","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N8 O8 -","- C12 H10 N8 O8 -","- C12 H10 N8 O8 -","1","0.5","","Ivanova, Bojidarka; Spiteller, Michael","Solid-state determination of hop bitter acids in beer by UV-MALDI-Orbitrap Mass spectrometry","Journal of Food Measurement and Characterization","2014","8","4","343","355","10.1007/s11694-014-9195-2","","","0.71073","MoKα","","0.114","0.0753","","","0.1903","0.2142","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518356","7.8532","0.0016","10","0.002","13.192","0.003","90","","105.06","0.03","90","","1000.4","0.4","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H13 Co N4 O9 -","- C2 H13 Co N4 O9 -","- C8 H52 Co4 N16 O36 -","4","1","","Hrib, Cristian; Blaurock, Steffen; Edelmann, Frank","Crystallization and Structure Determination of Fac-Triammin-Aquo-Oxalato-Cobalt (III)-Nitrate Monohydrate","Crystals","2014","4","4","490","","10.3390/cryst4040490","","","0.71073","MoKα","","0.0793","0.0525","","","0.126","0.1327","","","","","","0.881","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518369","17.6085","0.0013","14.6572","0.001","36.079","0.003","90","","95.66","0.003","90","","9266.3","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C129 H67 Cl12 N -","- C128.999 H66.999 Cl11.997 N -","- C515.996 H267.996 Cl47.988 N4 -","4","1","","Kratzer, Andreas; Englert, Jan M.; Lungerich, Dominik; Heinemann, Frank W.; Jux, Norbert; Hirsch, Andreas","Synthesis and first X-ray structure of a hexa-peri-hexabenzocoronene-fullerene-dyad: a model for an inter-carbon-allotrope hybrid.","Faraday discussions","2014","173","","297","310","10.1039/c4fd00069b","","","1.54178","CuKα","","0.1202","0.1112","","","0.326","0.3339","","","","","","2.767","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518370","27.352","0.0012","10.715","0.0005","24.122","0.0013","90","","121.948","0.0011","90","","5998.8","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,6-bis(1,1-dimethylethyl)-9-(3-(1,1dimethylethyl)-2-hydroxy-5-methoxyphenyl)- 2-hydroxy-8-methoxydibenzo[b,d]furan","","- C65 H82 Cl2 O10 -","- C65 H82 Cl2 O10 -","- C260 H328 Cl8 O40 -","4","0.5","","Elsler, B.; Schollmeyer, D.; Waldvogel, S. R.","Synthesis of iodobiaryls and dibenzofurans by direct coupling at BDD anodes.","Faraday discussions","2014","172","","413","420","10.1039/c4fd00049h","","","0.71073","MoKα","","0.077","0.0526","","","0.1297","0.1452","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518373","37.882","0.0015","10.817","0.0005","17.854","0.0004","90","","108.766","0.002","90","","6927.1","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 Cl F6 N2 O P2 Ru -","- C34 H33 Cl F6 N2 O P2 Ru -","- C272 H264 Cl8 F48 N16 O8 P16 Ru8 -","8","1","","Frik, Malgorzata; Martínez, Alberto; Elie, Benelita T.; Gonzalo, Oscar; Ramírez de Mingo, Daniel; Sanaú, Mercedes; Sánchez-Delgado, Roberto; Sadhukha, Tanmoy; Prabha, Swayam; Ramos, Joe W.; Marzo, Isabel; Contel, María","In vitro and in vivo evaluation of water-soluble iminophosphorane ruthenium(II) compounds. A potential chemotherapeutic agent for triple negative breast cancer.","Journal of medicinal chemistry","2014","57","23","9995","10012","10.1021/jm5012337","","","0.71073","MoKα","","0.1038","0.0545","","","0.1194","0.1467","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518374","15.1825","0.0012","5.2022","0.0004","14.7674","0.0012","90","","111.728","0.002","90","","1083.5","0.15","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O S -","- C11 H11 N3 O S -","- C44 H44 N12 O4 S4 -","4","1","","Kim, Hiyoung; Yang, Inho; Patil, Rahul S.; Kang, Sinwoo; Lee, Jihye; Choi, Hyukjae; Kim, Min-Sun; Nam, Sang-Jip; Kang, Heonjoong","Anithiactins A-C, Modified 2-Phenylthiazoles from a Mudflat-Derived Streptomyces sp.","Journal of natural products","2014","77","12","2716","2719","10.1021/np500558b","","","0.71073","MoKα","","0.1498","0.0521","","","0.1144","0.1957","","","","","","0.82","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518375","7.4066","0.0002","9.4215","0.0003","17.4684","0.0005","90","","90","","90","","1218.97","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cl O3 -","- C13 H13 Cl O3 -","- C52 H52 Cl4 O12 -","4","1","","Liou, Jing-Ru; Wu, Tung-Ying; Thang, Tran Dinh; Hwang, Tsong-Long; Wu, Chin-Chun; Cheng, Yuan-Bin; Chiang, Michael Y.; Lan, Yu-Hsuan; El-Shazly, Mohamed; Wu, Shwu-Li; Beerhues, Ludger; Yuan, Shyng-Shiou; Hou, Ming-Feng; Chen, Shu-Li; Chang, Fang-Rong; Wu, Yang-Chang","Bioactive 6S-Styryllactone Constituents of Polyalthia parviflora.","Journal of natural products","2014","77","12","2626","2632","10.1021/np5004577","","","1.54178","CuKα","","0.0222","0.0216","","","0.0568","0.057","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518376","8.3051","0.0002","9.8097","0.0002","15.5103","0.0003","90","","90","","90","","1263.63","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Liou, Jing-Ru; Wu, Tung-Ying; Thang, Tran Dinh; Hwang, Tsong-Long; Wu, Chin-Chun; Cheng, Yuan-Bin; Chiang, Michael Y.; Lan, Yu-Hsuan; El-Shazly, Mohamed; Wu, Shwu-Li; Beerhues, Ludger; Yuan, Shyng-Shiou; Hou, Ming-Feng; Chen, Shu-Li; Chang, Fang-Rong; Wu, Yang-Chang","Bioactive 6S-Styryllactone Constituents of Polyalthia parviflora.","Journal of natural products","2014","77","12","2626","2632","10.1021/np5004577","","","1.54178","CuKα","","0.0288","0.027","","","0.0661","0.0718","","","","","","1.133","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518377","7.8491","0.0004","6.205","0.0004","11.2346","0.0006","90","","95.747","0.003","90","","544.42","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C26 H28 O8 -","2","1","","Liou, Jing-Ru; Wu, Tung-Ying; Thang, Tran Dinh; Hwang, Tsong-Long; Wu, Chin-Chun; Cheng, Yuan-Bin; Chiang, Michael Y.; Lan, Yu-Hsuan; El-Shazly, Mohamed; Wu, Shwu-Li; Beerhues, Ludger; Yuan, Shyng-Shiou; Hou, Ming-Feng; Chen, Shu-Li; Chang, Fang-Rong; Wu, Yang-Chang","Bioactive 6S-Styryllactone Constituents of Polyalthia parviflora.","Journal of natural products","2014","77","12","2626","2632","10.1021/np5004577","","","1.54178","CuKα","","0.0243","0.0242","","","0.0638","0.0639","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518378","7.272","0.0005","11.5596","0.0007","13.8989","0.0009","85.38","0.002","76.438","0.002","74.896","0.002","1096.31","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H24 F6 Mn0.5 N4 O6 P -","- C15 H23.9 F6 Mn0.5 N4 O6 P -","- C30 H47.8 F12 Mn N8 O12 P2 -","2","1","","Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Ballester, Pablo; Seth, Saikat Kumar; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata","3-Picoline mediated self-assembly of M(II)-malonate complexes (M = Ni/Co/Mn/Mg/Zn/Cu) assisted by various weak forces involving lone pair-π, π-π, and anion···π-hole interactions.","The journal of physical chemistry. B","2014","118","50","14713","14726","10.1021/jp510075m","","","0.71073","MoKα","","0.0571","0.0473","","","0.1186","0.1259","","","","","","1.052","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518379","7.209","0.0007","11.6545","0.0011","14.121","0.0014","86.113","0.004","75.849","0.005","76.45","0.004","1118.32","0.19","302","2","302","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H48 F12 N8 O12 P2 Zn -","- C30 H44 F12 N8 O12 P2 Zn -","- C30 H44 F12 N8 O12 P2 Zn -","1","0.5","","Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Ballester, Pablo; Seth, Saikat Kumar; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata","3-Picoline mediated self-assembly of M(II)-malonate complexes (M = Ni/Co/Mn/Mg/Zn/Cu) assisted by various weak forces involving lone pair-π, π-π, and anion···π-hole interactions.","The journal of physical chemistry. B","2014","118","50","14713","14726","10.1021/jp510075m","","","0.71073","MoKα","","0.0696","0.0524","","","0.1463","0.1586","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518380","7.1432","0.0007","11.5494","0.0009","13.8681","0.0012","86.818","0.003","76.679","0.003","76.156","0.003","1080.99","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H48 F12 Mg N8 O12 P2 -","- C30 H48 F12 Mg N8 O12 P2 -","- C30 H48 F12 Mg N8 O12 P2 -","1","0.5","","Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Ballester, Pablo; Seth, Saikat Kumar; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata","3-Picoline mediated self-assembly of M(II)-malonate complexes (M = Ni/Co/Mn/Mg/Zn/Cu) assisted by various weak forces involving lone pair-π, π-π, and anion···π-hole interactions.","The journal of physical chemistry. B","2014","118","50","14713","14726","10.1021/jp510075m","","","0.71073","MoKα","","0.0592","0.0439","","","0.1132","0.1221","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518381","7.1481","0.0006","11.5208","0.0011","13.9059","0.0013","86.246","0.003","76.498","0.003","75.782","0.003","1079.38","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H48 Co F12 N8 O12 P2 -","- C30 H48 Co F12 N8 O12 P2 -","- C30 H48 Co F12 N8 O12 P2 -","1","0.5","","Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Ballester, Pablo; Seth, Saikat Kumar; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata","3-Picoline mediated self-assembly of M(II)-malonate complexes (M = Ni/Co/Mn/Mg/Zn/Cu) assisted by various weak forces involving lone pair-π, π-π, and anion···π-hole interactions.","The journal of physical chemistry. B","2014","118","50","14713","14726","10.1021/jp510075m","","","0.71073","MoKα","","0.0698","0.0538","","","0.1459","0.1577","","","","","","1.087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518382","12.33","0.002","18.095","0.003","8.7426","0.0017","90","","96.627","0.007","90","","1937.5","0.6","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C15 H20 Cu0.5 F6 N4 O4 P -","- C15 H20 Cu0.5 F6 N4 O4 P -","- C60 H80 Cu2 F24 N16 O16 P4 -","4","0.5","","Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Ballester, Pablo; Seth, Saikat Kumar; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata","3-Picoline mediated self-assembly of M(II)-malonate complexes (M = Ni/Co/Mn/Mg/Zn/Cu) assisted by various weak forces involving lone pair-π, π-π, and anion···π-hole interactions.","The journal of physical chemistry. B","2014","118","50","14713","14726","10.1021/jp510075m","","","0.71073","MoKα","","0.0832","0.0645","","","0.1771","0.1843","","","","","","1.21","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518383","7.0869","0.0005","11.5189","0.0008","13.9132","0.0009","86.24","0.002","76.457","0.002","76.18","0.002","1072.18","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H24 F6 N4 Ni0.5 O6 P -","- C15 H24 F6 N4 Ni0.5 O6 P -","- C30 H48 F12 N8 Ni O12 P2 -","2","1","","Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Ballester, Pablo; Seth, Saikat Kumar; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata","3-Picoline mediated self-assembly of M(II)-malonate complexes (M = Ni/Co/Mn/Mg/Zn/Cu) assisted by various weak forces involving lone pair-π, π-π, and anion···π-hole interactions.","The journal of physical chemistry. B","2014","118","50","14713","14726","10.1021/jp510075m","","","0.71073","MoKα","","0.0447","0.0358","","","0.0884","0.094","","","","","","0.987","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1518384","6.4762","0.0002","8.5838","0.0003","13.2261","0.0004","101.32","0.003","91.514","0.003","96.308","0.003","715.71","0.04","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Br N O -","- C16 H14 Br N O -","- C32 H28 Br2 N2 O2 -","2","1","","Chen, Ming; Peng, Jiangling; Mao, Tingting; Huang, Jinbo","Cu/Fe-cocatalyzed Meyer-Schuster-like rearrangement of propargylic amines: direct access to E-β-aminoacryaldehydes.","Organic letters","2014","16","24","6286","6289","10.1021/ol5029805","","","1.5418","CuKα","","0.035","0.0324","","","0.0864","0.089","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518385","7.695","0.0002","20.3926","0.0004","9.0759","0.0002","90","","103.862","0.002","90","","1382.72","0.06","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H42 O6 -","- C33 H42 O6 -","- C66 H84 O12 -","2","1","","Tian, Wen-Jing; Qiu, Yu-Qin; Yao, Xiao-Jun; Chen, Hai-Feng; Dai, Yi; Zhang, Xiao-Kun; Yao, Xin-Sheng","Dioxasampsones A and B, two polycyclic polyprenylated acylphloroglucinols with unusual epoxy-ring-fused skeleton from Hypericum sampsonii.","Organic letters","2014","16","24","6346","6349","10.1021/ol503122m","","","1.54178","CuKα","","0.0319","0.0306","","","0.0898","0.0928","","","","","","0.797","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1518386","10.4239","0.0002","8.4186","0.0002","14.8476","0.0003","90","","102.195","0.002","90","","1273.54","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","vernavosine","","","- C24 H33 I N2 O5 -","- C24 H33 I N2 O5 -","- C48 H66 I2 N4 O10 -","2","1","","Nge, Choy-Eng; Gan, Chew-Yan; Lim, Kuan-Hon; Ting, Kang-Nee; Low, Yun-Yee; Kam, Toh-Seok","Criofolinine and vernavosine, new pentacyclic indole alkaloids incorporating pyrroloazepine and pyridopyrimidine moieties derived from a common yohimbine precursor.","Organic letters","2014","16","24","6330","6333","10.1021/ol503072g","","","0.71073","MoKα","","0.0502","0.0382","","","0.0876","0.1011","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518387","10.7249","0.0005","12.1181","0.0006","29.204","0.0013","90","","90","","90","","3795.5","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","criofolinine","","","- C21 H22 N2 O6 -","- C21 H22 N2 O6 -","- C168 H176 N16 O48 -","8","2","","Nge, Choy-Eng; Gan, Chew-Yan; Lim, Kuan-Hon; Ting, Kang-Nee; Low, Yun-Yee; Kam, Toh-Seok","Criofolinine and vernavosine, new pentacyclic indole alkaloids incorporating pyrroloazepine and pyridopyrimidine moieties derived from a common yohimbine precursor.","Organic letters","2014","16","24","6330","6333","10.1021/ol503072g","","","0.71073","MoKα","","0.0775","0.0492","","","0.1225","0.144","","","","","","0.88","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518388","10.142","0.002","10.495","0.002","36.579","0.008","90","","90","","90","","3893.5","1.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C168 H240 O32 -","8","2","","Luo, Shi-Hong; Hugelshofer, Cedric L.; Hua, Juan; Jing, Shu-Xi; Li, Chun-Huan; Liu, Yan; Li, Xiao-Nian; Zhao, Xu; Magauer, Thomas; Li, Sheng-Hong","Unraveling the metabolic pathway in Leucosceptrum canum by isolation of new defensive leucosceptroid degradation products and biomimetic model synthesis.","Organic letters","2014","16","24","6416","6419","10.1021/ol503230s","","","0.71073","MoKα","","0.1577","0.0657","","","0.1122","0.1487","","","","","","0.981","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518389","9.7874","0.0005","11.8977","0.0006","22.0108","0.0011","101.686","0.004","91.082","0.004","107.507","0.005","2385","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","(E,E)-2,6-Bis{2-[4-(N,N-diphenylamino)phenyl]ethenyl}benzo[1,2-d:4,5-d'] bisthiazole","","- C50 H36 Cl6 N4 S2 -","- C50 H36 Cl6 N4 S2 -","- C100 H72 Cl12 N8 S4 -","2","1","","Hrobárik, Peter; Hrobáriková, Veronika; Semak, Vladislav; Kasák, Peter; Rakovský, Erik; Polyzos, Ioannis; Fakis, Mihalis; Persephonis, Peter","Quadrupolar benzobisthiazole-cored arylamines as highly efficient two-photon absorbing fluorophores.","Organic letters","2014","16","24","6358","6361","10.1021/ol503137p","","x-ray","0.71073","MoKα","","0.1151","0.0938","","","0.2475","0.2687","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518390","6.47","0.0012","7.714","0.003","9.5819","0.0017","94.92","0.02","98.689","0.015","110.41","0.02","438.1","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 O -","- C10 H12 O -","- C20 H24 O2 -","2","1","","Zhao, Liang; Wang, Jinlian; Zheng, Hongyan; Li, Yun; Yang, Ke; Cheng, Bin; Jin, Xiaojie; Yao, Xiaojun; Zhai, Hongbin","Silver(I)-catalyzed ring-contractive rearrangement: a new entry to 5-alkylidene-2-cyclopentenones.","Organic letters","2014","16","24","6378","6381","10.1021/ol503176y","","","0.71","MoKα","","0.0811","0.0587","","","0.1661","0.1863","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518391","8.3452","0.0004","9.2128","0.0003","11.793","0.0005","90","","93.354","0.004","90","","905.12","0.07","193.24","0.1","193.24","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O -","- C12 H10 O -","- C48 H40 O4 -","4","1","","Zhao, Liang; Wang, Jinlian; Zheng, Hongyan; Li, Yun; Yang, Ke; Cheng, Bin; Jin, Xiaojie; Yao, Xiaojun; Zhai, Hongbin","Silver(I)-catalyzed ring-contractive rearrangement: a new entry to 5-alkylidene-2-cyclopentenones.","Organic letters","2014","16","24","6378","6381","10.1021/ol503176y","","","0.7107","MoKα","","0.0694","0.0467","","","0.0956","0.1131","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518392","7.4179","0.0004","13.632","0.0007","19.6368","0.001","93.074","0.002","95.716","0.002","95.691","0.002","1962.03","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Br2 N3 O4 -","- C20 H17 Br2 N3 O4 -","- C80 H68 Br8 N12 O16 -","4","2","","Ye, Qun; Neo, Wei Teng; Cho, Ching Mui; Yang, Shuo Wang; Lin, Tingting; Zhou, Hui; Yan, Hong; Lu, Xuehong; Chi, Chunyan; Xu, Jianwei","Synthesis of ultrahighly electron-deficient pyrrolo[3,4-d]pyridazine-5,7-dione by inverse electron demand Diels-Alder reaction and its application as electrochromic materials.","Organic letters","2014","16","24","6386","6389","10.1021/ol503178m","","","0.71073","MoKα","","0.0429","0.0321","","","0.0788","0.0838","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518393","8.1594","0.0005","9.3272","0.0006","14.0726","0.0009","78.521","0.002","89.373","0.002","81.245","0.002","1037.13","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Br2 N3 O2 S2 -","- C20 H17 Br2 N3 O2 S2 -","- C40 H34 Br4 N6 O4 S4 -","2","1","","Ye, Qun; Neo, Wei Teng; Cho, Ching Mui; Yang, Shuo Wang; Lin, Tingting; Zhou, Hui; Yan, Hong; Lu, Xuehong; Chi, Chunyan; Xu, Jianwei","Synthesis of ultrahighly electron-deficient pyrrolo[3,4-d]pyridazine-5,7-dione by inverse electron demand Diels-Alder reaction and its application as electrochromic materials.","Organic letters","2014","16","24","6386","6389","10.1021/ol503178m","","","0.71073","MoKα","","0.0436","0.032","","","0.0797","0.0853","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518394","11.7131","0.0004","13.2133","0.0004","38.0111","0.0012","90","","90","","90","","5882.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34.5 H43 O5.5 -","- C34.5 H43 O5.5 -","- C276 H344 O44 -","8","2","","Zhu, Hucheng; Chen, Chunmei; Yang, Jing; Li, Xiao-Nian; Liu, Junjun; Sun, Bin; Huang, Sheng-Xiong; Li, Dongyan; Yao, Guangmin; Luo, Zengwei; Li, Yan; Zhang, Jinwen; Xue, Yongbo; Zhang, Yonghui","Bioactive acylphloroglucinols with adamantyl skeleton from Hypericum sampsonii.","Organic letters","2014","16","24","6322","6325","10.1021/ol5030579","","","1.54178","CuKα","","0.0774","0.0587","","","0.1513","0.2009","","","","","","1.157","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518395","11.1559","0.0002","10.7765","0.0002","11.6429","0.0002","90","","96.22","","90","","1391.49","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H40 O5 -","- C33 H40 O5 -","- C66 H80 O10 -","2","1","","Zhu, Hucheng; Chen, Chunmei; Yang, Jing; Li, Xiao-Nian; Liu, Junjun; Sun, Bin; Huang, Sheng-Xiong; Li, Dongyan; Yao, Guangmin; Luo, Zengwei; Li, Yan; Zhang, Jinwen; Xue, Yongbo; Zhang, Yonghui","Bioactive acylphloroglucinols with adamantyl skeleton from Hypericum sampsonii.","Organic letters","2014","16","24","6322","6325","10.1021/ol5030579","","","1.54178","CuKα","","0.0276","0.0276","","","0.0723","0.0723","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518396","31.188","0.009","10.623","0.003","28.223","0.008","90","","100.167","0.003","90","","9204","5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","trans-3a","racemic 4'-ethyl 5'-methyl(3R,4'S,5'S)-1-acetyl-5-fluoro-2'-(4-methyoxyphenyl)- 2-oxo-4'5'-dihydrospiro[indoline-3,3'-pyrrole]-4'5'-dicarboxylate","","- C25 H23 F N2 O7 -","- C25 H23 F N2 O7 -","- C400 H368 F16 N32 O112 -","16","2","","Badillo, Joseph J.; Ribeiro, Carlos J. A.; Olmstead, Marilyn M.; Franz, Annaliese K.","Titanium(IV)-catalyzed stereoselective synthesis of spirooxindole-1-pyrrolines.","Organic letters","2014","16","24","6270","6273","10.1021/ol5028128","","","0.71073","MoKα","","0.0533","0.0413","","","0.106","0.1114","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518397","8.7859","0.0002","12.7763","0.0004","13.096","0.0003","81.6796","0.0009","76.9516","0.0008","86.6732","0.0008","1416.52","0.06","90","2","90","2","","","","","","","","5","P -1","-P 1","2","cis-3a toluene solvate","racemic 4'-ethyl 5'-methyl(3R,4'S,5'R)-1-acetyl-5-fluoro-2'-(4-methyoxyphenyl)-2-oxo- 4',5'-dihydrospiro[indoline-3,3'-pyrrole]-4',5'-dicarboxylate","","- C32 H31 F N2 O7 -","- C32 H31 F N2 O7 -","- C64 H62 F2 N4 O14 -","2","1","","Badillo, Joseph J.; Ribeiro, Carlos J. A.; Olmstead, Marilyn M.; Franz, Annaliese K.","Titanium(IV)-catalyzed stereoselective synthesis of spirooxindole-1-pyrrolines.","Organic letters","2014","16","24","6270","6273","10.1021/ol5028128","","","1.54178","CuKα","","0.0472","0.0463","","","0.1218","0.1227","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518398","17.736","0.003","12.166","0.002","17.785","0.004","90","","91.25","0.003","90","","3836.7","1.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","coumarin 10","racemic dimethyl(1S,3aR,9bS)-3-(4-methyoyphenyl)-4-oxo-1,9b-dihydro- chromeno[3,4-c]pyrrole-1,3a(4H)-dicarboxylate","","- C22 H19 N O7 -","- C22 H19 N O7 -","- C176 H152 N8 O56 -","8","2","","Badillo, Joseph J.; Ribeiro, Carlos J. A.; Olmstead, Marilyn M.; Franz, Annaliese K.","Titanium(IV)-catalyzed stereoselective synthesis of spirooxindole-1-pyrrolines.","Organic letters","2014","16","24","6270","6273","10.1021/ol5028128","","","0.71073","MoKα","","0.0937","0.0573","","","0.1288","0.146","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518399","10.77","0.002","14.24","0.003","11.19","0.002","90","","91","0.03","90","","1715.9","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C68 H96 N8 O12 -","4","2","","Yan, Hong; Rong, Guangwei; Liu, Defu; Zheng, Yang; Chen, Jie; Mao, Jincheng","Stereoselective intermolecular nitroaminoxylation of terminal aromatic alkynes: trapping alkenyl radicals by TEMPO.","Organic letters","2014","16","24","6306","6309","10.1021/ol5030585","","","0.71073","MoKα","","0.0982","0.061","","","0.126","0.144","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518400","25.952","0.002","10.0751","0.0008","17.5758","0.0013","90","","94.228","0.002","90","","4583","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 N O2 S -","- C29 H23 N O2 S -","- C232 H184 N8 O16 S8 -","8","1","","Yang, Qin; Xu, Tongyu; Yu, Zhengkun","Iron-mediated carboarylation/cyclization of propargylanilines with acetals: a concise route to indeno[2,1-c]quinolines.","Organic letters","2014","16","24","6310","6313","10.1021/ol503039j","","","0.71073","MoKα","","0.0558","0.0445","","","0.1189","0.1282","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518401","9.9351","0.0015","10.2398","0.0015","15.259","0.002","90","","95.033","0.003","90","","1546.4","0.4","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl N -","- C22 H14 Cl N -","- C88 H56 Cl4 N4 -","4","1","","Yang, Qin; Xu, Tongyu; Yu, Zhengkun","Iron-mediated carboarylation/cyclization of propargylanilines with acetals: a concise route to indeno[2,1-c]quinolines.","Organic letters","2014","16","24","6310","6313","10.1021/ol503039j","","","0.71073","MoKα","","0.0614","0.0457","","","0.1206","0.1318","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518402","9.869","0.002","15.185","0.003","17.773","0.004","90","","90","","90","","2663.5","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N O3 S -","- C31 H29 N O3 S -","- C124 H116 N4 O12 S4 -","4","1","","Yang, Qin; Xu, Tongyu; Yu, Zhengkun","Iron-mediated carboarylation/cyclization of propargylanilines with acetals: a concise route to indeno[2,1-c]quinolines.","Organic letters","2014","16","24","6310","6313","10.1021/ol503039j","","","0.71073","MoKα","","0.0957","0.054","","","0.1183","0.1384","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518404","16.8144","0.0015","9.3105","0.0008","9.4113","0.0007","90","","98.4","0.007","90","","1457.5","0.2","100","0.18","100","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N3 O2 -","- C15 H21 N3 O2 -","- C60 H84 N12 O8 -","4","1","","Chi, Yue; Zhang, Wen-Xiong; Xi, Zhenfeng","Oxidant-switchable selective synthesis of 2-aminobenzimidazoles via C-H amination/acetoxylation of guanidines.","Organic letters","2014","16","24","6274","6277","10.1021/ol502815p","","","0.7107","MoKα","","0.0916","0.0556","","","0.1259","0.1418","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518405","10.0498","0.0005","13.3126","0.0007","16.9593","0.001","88.988","0.005","75.801","0.005","78.453","0.005","2153.9","0.2","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 N3 O0.5 -","- C24 H32 N3 O0.5 -","- C96 H128 N12 O2 -","4","2","","Chi, Yue; Zhang, Wen-Xiong; Xi, Zhenfeng","Oxidant-switchable selective synthesis of 2-aminobenzimidazoles via C-H amination/acetoxylation of guanidines.","Organic letters","2014","16","24","6274","6277","10.1021/ol502815p","","","0.7107","MoKα","","0.0948","0.0565","","","0.1244","0.1466","","","","","","1.072","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1518414","10.4672","0.0015","6.4647","0.0009","17.515","0.002","90","","107.273","0.009","90","","1131.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O3 -","- C25 H38 O3 -","- C50 H76 O6 -","2","1","","Nishiwaki, Hisashi; Fujiwara, Satomi; Wukirsari, Tuti; Iwamoto, Hiroyuki; Mori, Shigeki; Nishi, Kosuke; Sugahara, Takuya; Yamauchi, Satoshi; Shuto, Yoshihiro","Revised Stereochemistry of Ficifolidione and Its Biological Activities against Insects and Cells","Journal of Natural Products","2014","","","141212125500007","","10.1021/np5006746","","","1.54187","CuKα","","0.0734","0.0588","","","0.1382","0.1577","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518415","6.121","0.0003","17.2462","0.0009","10.9175","0.0006","90","","101.537","0.007","90","","1129.21","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O3 -","- C25 H38 O3 -","- C50 H76 O6 -","2","1","","Nishiwaki, Hisashi; Fujiwara, Satomi; Wukirsari, Tuti; Iwamoto, Hiroyuki; Mori, Shigeki; Nishi, Kosuke; Sugahara, Takuya; Yamauchi, Satoshi; Shuto, Yoshihiro","Revised Stereochemistry of Ficifolidione and Its Biological Activities against Insects and Cells","Journal of Natural Products","2014","","","141212125500007","","10.1021/np5006746","","","1.54187","CuKα","","0.0468","0.0444","","","0.109","0.1109","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518417","18.8295","0.0009","7.8451","0.0004","11.4443","0.0005","90","","95.208","0.002","90","","1683.57","0.14","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H23 Br O5 -","- C17 H22.5 Br O5 -","- C68 H90 Br4 O20 -","4","1","","Shockley, Samantha E.; Holder, Jeffrey C.; Stoltz, Brian M.","A catalytic, enantioselective formal synthesis of (+)-dichroanone and (+)-taiwaniaquinone H.","Organic letters","2014","16","24","6362","6365","10.1021/ol5031537","","","0.71073","MoKα","","0.0344","0.0256","","","0.0521","0.0538","","","","","","0.966","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518418","9.834","0.0006","19.1669","0.0011","12.3417","0.0007","90","","106.885","0.001","90","","2226","0.2","99","2","99","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Fe(CNPh)(1a)]BF4)2","","","- C48 H44 B2 F8 Fe N4 P2 -","- C48 H44 B2 F8 Fe N4 P2 -","- C96 H88 B4 F16 Fe2 N8 P4 -","2","1","","Bigler, Raphael; Mezzetti, Antonio","Isonitrile iron(II) complexes with chiral N2P2 macrocycles in the enantioselective transfer hydrogenation of ketones.","Organic letters","2014","16","24","6460","6463","10.1021/ol503295c","","","0.71073","MoKα","","0.0333","0.029","","","0.0708","0.073","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518419","17.688","0.0016","10.0067","0.0007","21.9732","0.0018","90","","100.303","0.008","90","","3826.5","0.5","296","1","296","1","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C200 H176 N16 O8 -","8","1","","Yang, Xiu-Long; Chen, Fei; Zhou, Neng-Neng; Yu, Wei; Han, Bing","Synthesis of isoxazoline-functionalized phenanthridines via iminoxyl radical-participated cascade sequence.","Organic letters","2014","16","24","6476","6479","10.1021/ol503335k","","","0.71073","MoKα","","0.1035","0.0712","","","0.1743","0.2006","","","","","","1.038","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1518420","9.0756","0.0008","9.0756","0.0008","15.824","0.0014","90","","90","","90","","1303.4","0.2","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Ran, Rui-Qiao; Xiu, Shi-Dong; Li, Chuan-Ying","Synthesis of N-acylamidines via rhodium-catalyzed reaction of nitrosobenzene derivatives with N-sulfonyl-1,2,3-triazoles.","Organic letters","2014","16","24","6394","6396","10.1021/ol5031876","","","0.71073","MoKα","","0.1126","0.0871","","","0.208","0.2281","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518423","14.3298","0.0013","15.1659","0.0017","17.3878","0.0016","100.804","0.001","113.243","0.002","106.844","0.001","3121.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H17 F25 N6 -","- C59 H17 F25 N6 -","- C118 H34 F50 N12 -","2","1","","Zhang, Kai; Wei, Pingchun; Li, Xin; Ågren, Hans; Xie, Yongshu","Oxidative ring closure and metal triggered ring opening: syntheses of macrocyclic and linear hexapyrroles.","Organic letters","2014","16","24","6354","6357","10.1021/ol503132r","","","0.71073","MoKα","","0.14","0.0788","","","0.2058","0.2439","","","","","","0.92","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518424","15.04","0.0013","15.1401","0.0014","16.0989","0.0015","98.35","0.002","97.875","0.002","118.146","0.003","3108.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H19 Cu F25 N6 O2 -","- C61 H19 Cu F25 N6 O2 -","- C122 H38 Cu2 F50 N12 O4 -","2","1","","Zhang, Kai; Wei, Pingchun; Li, Xin; Ågren, Hans; Xie, Yongshu","Oxidative ring closure and metal triggered ring opening: syntheses of macrocyclic and linear hexapyrroles.","Organic letters","2014","16","24","6354","6357","10.1021/ol503132r","","","1.54178","CuKα","","0.2337","0.1094","","","0.2378","0.2737","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518425","12.2942","0.0011","15.4624","0.0015","27.665","0.002","90","","90","","90","","5259.1","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H12 F25 Fe N6 O2 -","- C59 H12 F25 Fe N6 O2 -","- C236 H48 F100 Fe4 N24 O8 -","4","1","","Zhang, Kai; Wei, Pingchun; Li, Xin; Ågren, Hans; Xie, Yongshu","Oxidative ring closure and metal triggered ring opening: syntheses of macrocyclic and linear hexapyrroles.","Organic letters","2014","16","24","6354","6357","10.1021/ol503132r","","","0.71073","MoKα","","0.226","0.0873","","","0.1959","0.2841","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518426","8.5692","0.0004","21.534","0.0011","7.9705","0.0004","90","","90","","90","","1470.79","0.13","90","","90.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C19 H16 O5 -","- C19 H16 O5 -","- C76 H64 O20 -","4","1","","Centko, Ryan M.; Steinø, Anne; Rosell, Federico I.; Patrick, Brian O.; de Voogd, Nicole; Mauk, A. Grant; Andersen, Raymond J.","Indoleamine 2,3-dioxygenase inhibitors isolated from the sponge Xestospongia vansoesti: structure elucidation, analogue synthesis, and biological activity.","Organic letters","2014","16","24","6480","6483","10.1021/ol503337f","","x-ray","1.54178","CuKα","","0.0521","0.0475","","","0.1161","0.1188","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518429","11.2483","0.0013","12.9991","0.0015","18.089","0.002","99.988","0.002","99.239","0.002","102.072","0.002","2493.5","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 N O2 S2 -","- C29 H25 N O2 S2 -","- C116 H100 N4 O8 S8 -","4","2","","Han, Dandan; Li, Zhiming; Fan, Renhua","Oxidative nucleophilic cyclization of 2-alkynylanilines with thiophenols under metal-free conditions.","Organic letters","2014","16","24","6508","6511","10.1021/ol5034139","","","0.71073","MoKα","","0.0691","0.048","","","0.1486","0.1778","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518430","16.33","0.013","15.14","0.013","17.416","0.015","90","","90","","90","","4306","6","300","2","300","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H24 O3 -","- C27 H24 O3 -","- C216 H192 O24 -","8","1","","Seetha Lakshmi, K. C.; Krishnan, Jagadeesh; Sinu, C. R.; Varughese, Sunil; Nair, Vijay","N-heterocyclic carbene catalyzed annulation of enals to aurone analogs: synthesis of cyclopentene-fused spirobenzofuran-3-ones.","Organic letters","2014","16","24","6374","6377","10.1021/ol5031684","","","0.71073","MoKα","","0.1136","0.0666","","","0.1669","0.1994","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518431","5.848","0.003","12.3","0.006","25.729","0.013","90","","91.785","0.008","90","","1849.8","1.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 F N O4 -","- C21 H22 F N O4 -","- C84 H88 F4 N4 O16 -","4","1","","Reddy, B. V. Subba; Swathi, V.; Swain, Manisha; Bhadra, Manika Pal; Sridhar, B.; Satyanarayana, D.; Jagadeesh, B.","Stereoselective synthesis of spiro[tetrahydropyran-3,3'-oxindole] derivatives employing Prins cascade strategy.","Organic letters","2014","16","24","6267","6269","10.1021/ol503089m","","","0.71073","MoKα","","0.103","0.0691","","","0.1448","0.159","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518513","8.61","0.004","12.78","0.005","20.458","0.008","90","","101.72","0.03","90","","2204.2","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TriboIV","","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C112 H88 N8 O8 -","4","1","","Asiri, Abdullah M.; Heller, Harry G.; Hughes, David S.; Hursthouse, Michael B.; Kendrick, John; Leusen, Frank Jj; Montis, Riccardo","A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.","Chemistry Central journal","2014","8","1","70","","10.1186/s13065-014-0070-3","","","0.71069","MoKα","","0.0891","0.0429","","","0.0835","0.0913","","","","","","0.809","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518514","14.384","0.0001","8.214","0.0005","17.365","0.0009","90","","105.53","0.003","90","","1976.77","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TriboII","","","- C25 H18 N2 O2 -","- C25 H18 N2 O2 -","- C100 H72 N8 O8 -","4","1","","Asiri, Abdullah M.; Heller, Harry G.; Hughes, David S.; Hursthouse, Michael B.; Kendrick, John; Leusen, Frank Jj; Montis, Riccardo","A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.","Chemistry Central journal","2014","8","1","70","","10.1186/s13065-014-0070-3","","","0.71069","MoKα","","0.0804","0.041","","","0.1138","0.1482","","","","","","0.491","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518515","10.07","0.03","23.91","0.05","9.5","0.05","90","","110.38","0.18","90","","2144","14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TriboIIIa","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C108 H80 N8 O8 -","4","1","","Asiri, Abdullah M.; Heller, Harry G.; Hughes, David S.; Hursthouse, Michael B.; Kendrick, John; Leusen, Frank Jj; Montis, Riccardo","A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.","Chemistry Central journal","2014","8","1","70","","10.1186/s13065-014-0070-3","","","0.71069","MoKα","","0.2359","0.089","","","0.2072","0.245","","","","","","0.727","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518516","20.349","0.002","10.095","0.002","21.338","0.002","90","","99.06","0.018","90","","4328.6","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","TriboIIIb","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C216 H160 N16 O16 -","8","1","","Asiri, Abdullah M.; Heller, Harry G.; Hughes, David S.; Hursthouse, Michael B.; Kendrick, John; Leusen, Frank Jj; Montis, Riccardo","A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.","Chemistry Central journal","2014","8","1","70","","10.1186/s13065-014-0070-3","","","0.71069","MoKα","","0.1348","0.0616","","","0.1593","0.2199","","","","","","0.594","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518517","10.352","0.0004","7.212","0.0001","13.32","0.0009","90","","110.332","0.002","90","","932.49","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","TriboI","","","- C23 H16 N2 O2 -","- C23 H16 N2 O2 -","- C46 H32 N4 O4 -","2","1","","Asiri, Abdullah M.; Heller, Harry G.; Hughes, David S.; Hursthouse, Michael B.; Kendrick, John; Leusen, Frank Jj; Montis, Riccardo","A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.","Chemistry Central journal","2014","8","1","70","","10.1186/s13065-014-0070-3","","","0.71069","MoKα","","0.0587","0.0423","","","0.1264","0.1431","","","","","","0.485","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518518","11.167","0.001","13.257","0.001","14.878","0.001","90","","90","0.001","90","","2202.6","0.3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Cl2 Fe N O Pt S -","- C21 H25 Cl2 Fe N O Pt S -","- C84 H100 Cl8 Fe4 N4 O4 Pt4 S4 -","4","1","","López, Concepción; Bosque, Ramón; Pujol, Marta; Simó, Jonathan; Sevilla, Eila; Font-Bardía, Mercè; Messeguer, Ramon; Calvis, Carme","Experimental and Theoretical Studies of the Factors Affecting the Cycloplatination of the Chiral Ferrocenylaldimine (SC)-[(η5-C5H5)Fe{(η5-C5H4)‒C(H)=N‒CH(Me)(C6H5)}]","Inorganics","2014","2","4","620","","10.3390/inorganics2040620","","","0.71069","MoKα","","0.0514","0.0418","","","0.1301","0.1414","","","","","","1.196","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518519","16.296","0.003","16.357","0.003","16.854","0.003","77.37","0.03","75.89","0.03","80.58","0.03","4222.5","1.5","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C144 H104 Au8 F24 Mo12 O46 P8 Si -","- C144 H92 Au8 F24 Mo12 O46 P8 Si -","- C144 H92 Au8 F24 Mo12 O46 P8 Si -","1","0.5","","Yoshida, Takuya; Yasuda, Yuta; Nagashima, Eri; Arai, Hidekazu; Matsunaga, Satoshi; Nomiya, Kenji","Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and Phosphanes","Inorganics","2014","2","4","660","","10.3390/inorganics2040660","","","0.71073","MoKα","","0.1042","0.0915","","","0.238","0.2502","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518520","20.478","0.003","20.478","0.003","36.726","0.007","90","","90","","120","","13338","4","120","","120","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C168 H168 Au8 O46 P8 Si W12 -","- C168 H168 Au8 O46 P8 Si W12 -","- C504 H504 Au24 O138 P24 Si3 W36 -","3","0.166667","","Yoshida, Takuya; Yasuda, Yuta; Nagashima, Eri; Arai, Hidekazu; Matsunaga, Satoshi; Nomiya, Kenji","Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and Phosphanes","Inorganics","2014","2","4","660","","10.3390/inorganics2040660","","","0.71073","MoKα","","0.0558","0.0547","","","0.1212","0.1217","","","","","","1.311","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518521","20.3813","0.0007","20.3813","0.0007","36.679","0.002","90","","90","","120","","13195.1","1","100","","100","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C168 H168 Au8 Mo12 O46 P8 Si -","- C168 H168 Au8 Mo12 O46 P8 Si -","- C504 H504 Au24 Mo36 O138 P24 Si3 -","3","0.166667","","Yoshida, Takuya; Yasuda, Yuta; Nagashima, Eri; Arai, Hidekazu; Matsunaga, Satoshi; Nomiya, Kenji","Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and Phosphanes","Inorganics","2014","2","4","660","","10.3390/inorganics2040660","","","0.71073","MoKα","","0.039","0.0376","","","0.0855","0.0862","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518522","16.191","0.002","29.165","0.004","35.365","0.004","99.801","0.002","99.153","0.002","104.963","0.002","15532","3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C108 H73 Au6 F18 Mo12 O42 P7 -","- C108 H64.5 Au6 F18 Mo12 O42 P7 -","- C432 H258 Au24 F72 Mo48 O168 P28 -","4","2","","Yoshida, Takuya; Yasuda, Yuta; Nagashima, Eri; Arai, Hidekazu; Matsunaga, Satoshi; Nomiya, Kenji","Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and Phosphanes","Inorganics","2014","2","4","660","","10.3390/inorganics2040660","","","0.71073","MoKα","","0.1077","0.0723","","","0.1625","0.1753","","","","","","1.027","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1518523","17.7243","0.0011","17.8341","0.001","31.757","0.0018","104.826","0.001","92.64","0.002","109.685","0.001","9040","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C147 H147 Au7 O42 P8 W12 -","- C147 H147 Au7 O43 P8 W12 -","- C294 H294 Au14 O86 P16 W24 -","2","1","","Yoshida, Takuya; Yasuda, Yuta; Nagashima, Eri; Arai, Hidekazu; Matsunaga, Satoshi; Nomiya, Kenji","Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and Phosphanes","Inorganics","2014","2","4","660","","10.3390/inorganics2040660","","","0.71073","MoKα","","0.2417","0.1466","","","0.3848","0.4614","","","","","","1.373","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518524","31.03","0.02","7.961","0.006","11.718","0.009","90","","97.377","0.009","90","","2871","4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cl2 N4 S4 Sn -","- C24 H26 Cl2 N4 S4 Sn -","- C96 H104 Cl8 N16 S16 Sn4 -","4","0.5","","Burkett, Eon; Siddiquee, Tasneem","Coordination Nature of 4-Mercaptoaniline to Sn(II) Ion: Formation of a One Dimensional Coordination Polymer and Its Decomposition to a Mono Nuclear Sn(IV) Complex","Inorganics","2014","2","4","652","","10.3390/inorganics2040652","","x-ray","0.71075","MoKα","","0.0373","0.0321","","","0.0798","0.0832","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518525","17.328","0.014","12.16","0.009","7.253","0.006","90","","95.404","0.001","90","","1521","2","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Cl N2 O S2 Sn -","- C12 H15 Cl N2 O S2 Sn -","- C48 H60 Cl4 N8 O4 S8 Sn4 -","4","1","","Burkett, Eon; Siddiquee, Tasneem","Coordination Nature of 4-Mercaptoaniline to Sn(II) Ion: Formation of a One Dimensional Coordination Polymer and Its Decomposition to a Mono Nuclear Sn(IV) Complex","Inorganics","2014","2","4","652","","10.3390/inorganics2040652","","x-ray","0.71075","MoKα","","0.0974","0.0536","","","0.0904","0.1091","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518678","51.305","0.007","51.305","0.007","24.419","0.005","90","","90","","120","","55664","16","223","2","223","1","","","","","","","","7","P -3","-P 3","147","","","","- C254 H317 Cd18 Cl8 Eu6 N18 O92 -","- C254 H317 Cd18 Cl8 Eu6 N18 O92 -","- C1524 H1902 Cd108 Cl48 Eu36 N108 O552 -","6","1","","Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan F.; Jones, Jessica N.; Swaminathan, Jagannath; Yang, Xiaoping; Schipper, Desmond; Hall, Justin W.; DePue, Lauren J.; Dieye, Yakhya; Vadivelu, Jamuna; Chandler, Don J.; Marcotte, Edward M.; Sessler, Jonathan L.; Ehrlich, Lauren I. R.; Brown, Katherine A.","Lanthanide nano-drums: a new class of molecular nanoparticles for potential biomedical applications","Faraday Discuss.","2014","","","","","10.1039/C4FD00117F","","","0.710747","MoKα","","0.1043","0.069","","","0.1809","0.197","","","","","","1.126","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518679","51.114","0.007","51.114","0.007","24.362","0.005","90","","90","","120","","55122","16","223","2","223","1","","","","","","","","7","P -3","-P 3","147","","","","- C254 H317 Cd18 Cl8 N18 O92 Tb6 -","- C254 H317 Cd18 Cl8 N18 O92 Tb6 -","- C1524 H1902 Cd108 Cl48 N108 O552 Tb36 -","6","1","","Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan F.; Jones, Jessica N.; Swaminathan, Jagannath; Yang, Xiaoping; Schipper, Desmond; Hall, Justin W.; DePue, Lauren J.; Dieye, Yakhya; Vadivelu, Jamuna; Chandler, Don J.; Marcotte, Edward M.; Sessler, Jonathan L.; Ehrlich, Lauren I. R.; Brown, Katherine A.","Lanthanide nano-drums: a new class of molecular nanoparticles for potential biomedical applications","Faraday Discuss.","2014","","","","","10.1039/C4FD00117F","","","0.710747","MoKα","","0.0939","0.0635","","","0.1819","0.1984","","","","","","1.12","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518689","17.2259","0.0003","19.4533","0.0004","25.7366","0.0005","90","","103.161","0.001","90","","8397.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","RH2927-2","5-Acetyl-5,6-dihydro-6-hydroxydibenzo[c,e][1,2]azaborine, dehydrated dimer","","- C32 H30 B2 N2 O5 -","- C32 H30 B2 N2 O5 -","- C384 H360 B24 N24 O60 -","12","3","","Sumida, Yuto; Harada, Ryu; Kato-Sumida, Tomoe; Johmoto, Kohei; Uekusa, Hidehiro; Hosoya, Takamitsu","Boron-Selective Biaryl Coupling Approach to Versatile Dibenzoxaborins and Application to Concise Synthesis of Defucogilvocarcin M.","Organic letters","2014","16","23","6240","","10.1021/ol5031734","","x-ray","1.54186","CuKα","","0.0532","0.0445","","","0.1143","0.1211","","","","","","1.079","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518690","5.1612","0.0001","15.5151","0.0003","15.9033","0.0003","90","","91.214","0.001","90","","1273.2","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RH2Y15-1","8,9-Dioxa-8a-borabenzo[fg]tetracene","","- C18 H11 B O2 -","- C18 H11 B O2 -","- C72 H44 B4 O8 -","4","1","","Sumida, Yuto; Harada, Ryu; Kato-Sumida, Tomoe; Johmoto, Kohei; Uekusa, Hidehiro; Hosoya, Takamitsu","Boron-Selective Biaryl Coupling Approach to Versatile Dibenzoxaborins and Application to Concise Synthesis of Defucogilvocarcin M.","Organic letters","2014","16","23","6240","","10.1021/ol5031734","","x-ray","1.54186","CuKα","","0.054","0.0438","","","0.1218","0.1385","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518691","8.6968","0.0002","10.9553","0.0004","15.8049","0.0005","72.6652","0.0019","85.8533","0.0018","80.1743","0.0019","1415.98","0.08","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N3 O3 S -","- C31 H27 N3 O3 S -","- C62 H54 N6 O6 S2 -","2","1","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.","Organic letters","2014","16","23","6136","","10.1021/ol503000c","","","0.71073","MoKα","","0.0675","0.0467","","","0.1201","0.1369","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518692","8.8866","0.0004","11.3293","0.0005","21.9439","0.0011","90","","93.332","0.003","90","","2205.55","0.18","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 Cl3 N2 O -","- C24 H23 Cl3 N2 O -","- C96 H92 Cl12 N8 O4 -","4","1","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.","Organic letters","2014","16","23","6136","","10.1021/ol503000c","","","0.71073","MoKα","","0.0682","0.0448","","","0.0975","0.1073","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518693","12.6259","0.0006","5.511","0.0002","13.3809","0.0006","90","","107.086","0.003","90","","889.97","0.07","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C46 H44 N4 O2 -","2","1","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.","Organic letters","2014","16","23","6136","","10.1021/ol503000c","","","0.71073","MoKα","","0.0559","0.0446","","","0.0976","0.1049","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518694","31.6185","0.0016","5.5769","0.0003","18.4042","0.0008","90","","93.168","0.002","90","","3240.3","0.3","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C176 H160 N16 -","8","1","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.","Organic letters","2014","16","23","6136","","10.1021/ol503000c","","","0.71073","MoKα","","0.0662","0.0502","","","0.1305","0.1427","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518695","18.5262","0.001","9.0722","0.0005","18.7024","0.001","90","","94.6251","0.0019","90","","3133.1","0.3","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 N3 O4 S2 -","- C36 H33 N3 O4 S2 -","- C144 H132 N12 O16 S8 -","4","1","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.","Organic letters","2014","16","23","6136","","10.1021/ol503000c","","","0.71073","MoKα","","0.0659","0.0409","","","0.0958","0.1095","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518696","5.8261","0.0009","10.6516","0.0015","28.626","0.004","90","","95.011","0.005","90","","1769.7","0.4","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.","Organic letters","2014","16","23","6136","","10.1021/ol503000c","","","0.71073","","","0.1653","0.0692","","","0.1516","0.226","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518697","12.03","0.002","5.6222","0.0009","13.018","0.002","90","","107.387","0.008","90","","840.2","0.2","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C44 H40 N4 O2 -","2","1","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.","Organic letters","2014","16","23","6136","","10.1021/ol503000c","","","0.71073","MoKα","","0.1523","0.0992","","","0.1557","0.1723","","","","","","1.193","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518698","5.7161","0.0003","13.5777","0.0006","24.259","0.0012","90","","90","","90","","1882.78","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O3 -","- C22 H26 O3 -","- C88 H104 O12 -","4","1","","Fàbregas, Mireia; Gómez-Palomino, Alejandro; Pellicena, Miquel; Reina, Daniel F.; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","Substrate-Controlled Michael Additions of Chiral Ketones to Enones.","Organic letters","2014","16","23","6220","","10.1021/ol503133j","","","1.54178","CuKα","","0.0333","0.0282","","","0.0687","0.071","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518699","9.2855","0.0003","30.8566","0.001","9.7988","0.0003","90","","95.17","0.001","90","","2796.12","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 F2 O5 P -","- C33 H29 F2 O5 P -","- C132 H116 F8 O20 P4 -","4","1","","Levin, Vitalij V.; Trifonov, Alexey L.; Zemtsov, Artem A.; Struchkova, Marina I.; Arkhipov, Dmitry E.; Dilman, Alexander D.","Difluoromethylene Phosphabetaine as an Equivalent of Difluoromethyl Carbanion.","Organic letters","2014","16","23","6256","","10.1021/ol503225s","","","0.71073","MoKα","","0.0483","0.0415","","","0.1015","0.1058","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518700","12.572","0.003","14.553","0.004","20.155","0.004","96.735","0.004","103.439","0.005","101.565","0.005","3461.4","1.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H88 N4 O12 -","- C82 H88 N4 O12 -","- C164 H176 N8 O24 -","2","1","","Kim, Sung Kuk; Lynch, Vincent M.; Sessler, Jonathan L.","Cone Calix[4]arene Diethyl Ester Strapped Calix[4]pyrrole: A Selective Receptor for the Fluoride Anion.","Organic letters","2014","16","23","6128","","10.1021/ol502991t","","","0.71075","MoKα","","0.1668","0.0846","","","0.1757","0.2174","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518701","11.09","0.0012","33.038","0.003","20.233","0.002","90","","102.967","0.003","90","","7224.2","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H85 Cl3 Cs F N4 O11 -","- C79 H84 Cs F N4 O11 -","- C316 H336 Cs4 F4 N16 O44 -","4","1","","Kim, Sung Kuk; Lynch, Vincent M.; Sessler, Jonathan L.","Cone Calix[4]arene Diethyl Ester Strapped Calix[4]pyrrole: A Selective Receptor for the Fluoride Anion.","Organic letters","2014","16","23","6128","","10.1021/ol502991t","","","0.71073","MoKα","","0.0811","0.0526","","","0.1174","0.128","","","","","","1.122","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518702","16.8102","0.0014","21.0789","0.0016","19.1698","0.0014","90","","94.179","0.002","90","","6774.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C79 H86 N4 O12 -","- C79 H84 N4 O12 -","- C316 H336 N16 O48 -","4","1","","Kim, Sung Kuk; Lynch, Vincent M.; Sessler, Jonathan L.","Cone Calix[4]arene Diethyl Ester Strapped Calix[4]pyrrole: A Selective Receptor for the Fluoride Anion.","Organic letters","2014","16","23","6128","","10.1021/ol502991t","","","0.71075","MoKα","","0.1459","0.0789","","","0.1387","0.1618","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518703","19.9315","0.0009","23.719","0.003","20.402","0.0016","90","","116.015","0.005","90","","8667.9","1.4","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C144 H96 Cl4 F N14 O8 -","- C86 H102 F N5 O11 -","- C344 H408 F4 N20 O44 -","4","0.5","","Kim, Sung Kuk; Lynch, Vincent M.; Sessler, Jonathan L.","Cone Calix[4]arene Diethyl Ester Strapped Calix[4]pyrrole: A Selective Receptor for the Fluoride Anion.","Organic letters","2014","16","23","6128","","10.1021/ol502991t","","","0.71073","MoKα","","0.0645","0.0546","","","0.1477","0.1549","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518704","13.144","0.006","8.737","0.004","12.237","0.004","90","","92.09","0.03","90","","1404.4","1","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","1","","Pang, Xinlong; Chen, Chao; Su, Xiang; Li, Ming; Wen, Lirong","Diverse Tandem Cyclization Reactions of o-Cyanoanilines and Diaryliodonium Salts with Copper Catalyst for the Construction of Quinazolinimine and Acridine Scaffolds.","Organic letters","2014","16","23","6228","","10.1021/ol503156g","","","0.71073","MoKα","","0.1146","0.0544","","","0.0936","0.1163","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518705","13.68","0.004","17.357","0.006","8.158","0.002","90","","97.15","0.02","90","","1922","1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Br N4 -","- C23 H21 Br N4 -","- C92 H84 Br4 N16 -","4","1","","Pang, Xinlong; Chen, Chao; Su, Xiang; Li, Ming; Wen, Lirong","Diverse Tandem Cyclization Reactions of o-Cyanoanilines and Diaryliodonium Salts with Copper Catalyst for the Construction of Quinazolinimine and Acridine Scaffolds.","Organic letters","2014","16","23","6228","","10.1021/ol503156g","","","0.71073","MoKα","","0.1151","0.0624","","","0.1201","0.1424","","","","","","1.166","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518862","12.7036","0.0013","3.9646","0.0003","22.6796","0.0018","90","","92.642","0.007","90","","1141.04","0.17","100","","","","","","","","","","","2","C 1 2 1","C 2y","5","","Iridium telluride","","- Ir Te2 -","- Ir2 Te4 -","- Ir16 Te32 -","8","2","","Pascut, G. L.; Birol, T.; Gutmann, M. J.; Yang, J. J.; Cheong, S.-W.; Haule, K.; Kiryukhin, V.","Series of alternating states with unpolarized and spin-polarized bands in dimerized <span class=""aps-inline-formula""><math xmlns=""http://www.w3.org/1998/Math/MathML""><msub><mi>IrTe</mi><mn>2</mn></msub></math></span>","Physical Review B","2014","90","19","195122","","10.1103/PhysRevB.90.195122","","","","","","0.133","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1529218","6.87295","0.00014","16.66399","0.00021","11.85043","0.00017","90","","90","","90","","1357.24","0.04","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","catena-bis(2-thiobarbiturato)-diaqua-barium","- C8 H6 Ba N4 O6 S2 -","- C8 H10 Ba N4 O6 S2 -","- C32 H40 Ba4 N16 O24 S8 -","4","0.5","","Golovnev, Nikolay; Molokeev, Maxim","Crystal structures of two barium 2-thiobarbiturate complexes","Journal of Structural Chemistry","2014","55","5","871","","10.1134/S0022476614050114","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.096","3.881","","","","","","","has coordinates,has Fobs","189186","2020-10-21","18:00:00",""
"1529219","9.1339","0.0013","9.8527","0.0014","10.0198","0.0014","103.674","0.002","99.491","0.002","101.683","0.002","836.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","catena-(μ~4~-2-thiobarbiturato-O,O,O',S)-(2-thiobarbiturato-O)- (μ~2~-aqua)-diaqua-barium","","- C8 H16 Ba N4 O9 S2 -","- C8 H16 Ba N4 O9 S2 -","- C16 H32 Ba2 N8 O18 S4 -","2","1","","Golovnev, Nicolay; Molokeev, Maxim","Crystal structures of two barium 2-thiobarbiturate complexes","Journal of Structural Chemistry","2014","55","5","871","","10.1134/S0022476614050114","","","0.71073","MoKα","","0.0727","0.0453","","","0.0799","0.0943","","","","","","0.999","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529225","15.10391","0.00027","12.80183","0.0002","3.864549","0.000057","90","","97.2028","0.0014","90","","741.34","0.02","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","C4 H2 N2 O2 S Tl2","- C4 H2 N2 O2 S Tl2 -","- C4 H2 N2 O2 S Tl2 -","- C16 H8 N8 O8 S4 Tl8 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim","Crystal structure of catena-(2-thiobarbiturato) dithallium(I)","Journal of Structural Chemistry","2014","55","1","125","","10.1134/S002247661401020X","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","","","","2.097","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529226","7.389","0.006","7.631","0.006","10.082","0.008","101.278","0.008","96.786","0.008","108.066","0.008","520.2","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Hexaaquanickel(II) bis(2-thiobarbiturate) dihydrate","","- C8 H26 N4 Ni O14 S2 -","- C8 H26 N4 Ni O14 S2 -","- C8 H26 N4 Ni O14 S2 -","1","0.5","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor; Sidorenko, Maxim; Dmitrushkov, Michael","Crystal structure and properties of the precursor [Ni(H2O)6](HTBA)2.2H2O and the complexes M(HTBA)2(H2O)2 (M=Ni, Co, Fe)","Polyhedron","2014","70","0","71","","10.1016/j.poly.2013.12.021","","","0.71073","MoKα","","0.0616","0.0467","","","0.1511","0.166","","","","","","1.028","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529227","6.88172","0.00041","7.0516","0.00045","7.19068","0.00044","91.0836","0.0026","103.514","0.0026","113.128","0.0017","309.61","0.03","300","","300","","","","","","","","","6","P -1","-P 1","2","","Catena-bis(2-thiobarbiturato)diaquanickel(II)","","- C8 H10 N4 Ni O6 S2 -","- C8 H10 N4 Ni O6 S2 -","- C8 H10 N4 Ni O6 S2 -","1","0.5","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor; Sidorenko, Maxim; Dmitrushkov, Michael","Crystal structure and properties of the precursor [Ni(H2O)6](HTBA)2.2H2O and the complexes M(HTBA)2(H2O)2 (M=Ni, Co, Fe)","Polyhedron","2014","70","0","71","","10.1016/j.poly.2013.12.021","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.33","4.635","","","2.153","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529228","6.89222","0.00035","7.03836","0.00037","7.25361","0.00031","91.4988","0.002","102.659","0.0021","113.512","0.0014","312.27","0.03","300","","300","","","","","","","","","6","P -1","-P 1","2","","Catena-bis(2-thiobarbiturato)diaquacobalt(II)","","- C8 H10 Co N4 O6 S2 -","- C8 H10 Co N4 O6 S2 -","- C8 H10 Co N4 O6 S2 -","1","0.5","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor; Sidorenko, Maxim; Dmitrushkov, Michael","Crystal structure and properties of the precursor [Ni(H2O)6](HTBA)2.2H2O and the complexes M(HTBA)2(H2O)2 (M=Ni, Co, Fe)","Polyhedron","2014","70","0","71","","10.1016/j.poly.2013.12.021","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.12","1.277","","","1.13","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529229","6.87606","0.00033","7.08625","0.00037","7.27721","0.00031","91.1743","0.0018","102.687","0.0019","113.471","0.0012","314.99","0.03","300","","300","","","","","","","","","6","P -1","-P 1","2","","Catena-bis(2-thiobarbiturato)diaquairon(II)","","- C8 H10 Fe N4 O6 S2 -","- C8 H10 Fe N4 O6 S2 -","- C8 H10 Fe N4 O6 S2 -","1","0.5","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor; Sidorenko, Maxim; Dmitrushkov, Michael","Crystal structure and properties of the precursor [Ni(H2O)6](HTBA)2.2H2O and the complexes M(HTBA)2(H2O)2 (M=Ni, Co, Fe)","Polyhedron","2014","70","0","71","","10.1016/j.poly.2013.12.021","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.231","1.535","","","1.239","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529230","14.1033","0.0004","10.0988","0.0004","15.4061","0.0005","90","","110.003","0.001","90","","2061.87","0.12","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","[tetrakis(mu~2~-thiobarbiturato-O,O')-bis(thiobarbiturato-O)-hexaaqua-dieuropium]","","- C12 H15 Eu N6 O9 S3 -","- C12 H15 Eu N6 O9 S3 -","- C48 H60 Eu4 N24 O36 S12 -","4","1","","Golovnev, Nicolay; Molokeev, Maxim","Crystal structure of polymer hexaaqua-hexakis(2-thiobarbiturato) dieuropium(III)","Russian Journal of Coordination Chemistry","2014","40","9","648","","10.1134/S1070328414090036","","","0.71073","MoKα","","0.0609","0.0373","","","0.0775","0.088","","","","","","1.004","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529236","8.24015","0.00011","8.24015","0.00011","6.756612","0.000096","90","","90","","120","","397.31","0.009","300","","300","","","","","","","","","4","P -3","-P 3","147","","","","- C6 H15 N O4 -","- C6 H15 N O4 -","- C12 H30 N2 O8 -","2","0.333333","","M.G. Voronkov; E.A. Zelbst; A.D. Vasilev; M.S. Molokeev; G.A. Kuznetsova","Oxatrane Is a Parent Compound of a New Atrane family: Crystal and Molecular Structure of Triethanolamine N-Oxide","Doklady Chemistry","2014","458","1","172","","10.1134/S0012500814090031","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.71","3.41","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529238","8.8268","0.0019","12.044","0.003","8.0998","0.0019","90","","105.388","0.006","90","","830.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(isopropylidene)-2-thiobarbituric acid","","- C7 H8 N2 O2 S -","- C7 H8 N2 O2 S -","- C28 H32 N8 O8 S4 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim; Tarasova, Ludmila; Atuchin, Victor; Vladimirova, Natalya","The 5-(isopropylidene)-2-thiobarbituric acid: Preparation, crystal structure, thermal stability and IR-characterization","Journal of Molecular Structure","2014","1068","0","216","","10.1016/j.molstruc.2014.04.024","","","0.71073","MoKα","","0.1611","0.0865","","","0.1821","0.2237","","","","","","1.041","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529269","9.2833","0.0007","9.2833","0.0007","7.2234","0.0006","90","","90","","120","","539.11","0.07","296","2","296","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- Al3 B4 Er O12 -","- Al3 B4 Er O12 -","- Al9 B12 Er3 O36 -","3","0.166667","","Malakhovskii, Alexander; Kutsak, Tatyana; Sukhachev, Alexander; Krylov, Alexander; Gudim, Irina; Alexandrovsky, Alexander; Molokeev, Maxim","Spectroscopic properties of ErAl3(BO3)4 single crystal","Chemical Physics","2014","428","0","137","","10.1016/j.chemphys.2013.11.008","","","0.71073","MoKα","","0.0104","0.0104","","","0.0237","0.0237","","","","","","0.929","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529270","9.566","0.004","9.566","0.004","7.591","0.003","90","","90","","120","","601.6","0.4","296","2","296","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B4 Er Fe3 O12 -","- B4 Er Fe3 O12 -","- B12 Er3 Fe9 O36 -","3","0.166667","","Malakhovskii, Alexander; Sokolov, Valerii; Sukhachev, Alexander; Gudim, Irina; Molokeev, Maxim","Spectroscopic properties and structure of the ErFe3(BO3)4 single crystal","Physics of the Solid State","2014","56","10","2056","","10.1134/S1063783414100199","","","0.71073","MoKα","","0.0166","0.0166","","","0.0388","0.0388","","","","","","1.096","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529369","10.353865","0.000061","10.384128","0.000064","10.656947","0.000066","90","","90","","90","","1145.79","0.012","300","","300","","","","","","","","","3","P b a 2","P 2 -2ab","32","","","","- Mo3 O12 Tb2 -","- Mo3 O12 Tb2 -","- Mo12 O48 Tb8 -","4","1","","V.V. Atuchin; A.S. Aleksandrovsky; O.D. Chimitova; A.S. Krylov; M.S. Molokeev; B.G. Bazarov; J.G. Bazarova; Zhiguo Xia","Synthesis and spectroscopic properties of multiferroic b'-Tb2(MoO4)3","Optical Materials","2014","36","10","1631","1635","10.1016/j.optmat.2013.12.008","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.726","1.695","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529379","9.1868","0.001","12.3218","0.0013","3.001","0.0003","90","","90","","90","","339.71","0.06","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- B4 Mn5.12 Ni6.84 O20 -","- B4 Mn5.12 Ni6.84 O20 -","- B4 Mn5.12 Ni6.84 O20 -","1","0.125","","L.N. Bezmaternykh; E.M. Kolesnikova; E.V. Eremin; S.N. Sofronova; N.V. Volkov; M.S. Molokeev","Magnetization pole reversal of ferrimagnetic ludwigites Mn3-xNixBO5","Journal of Magnetism and Magnetic Materials","2014","364","0","55","59","10.1016/j.jmmm.2014.04.031","","","0.71073","MoKα","","0.0306","0.027","","","0.0677","0.0711","","","","","","1.039","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529380","9.179","0.0017","12.344","0.002","3.001","0.0006","90","","90","","90","","340.03","0.11","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- B2 Mn5 Ni O10 -","- B4 Mn10 Ni2 O20 -","- B4 Mn10 Ni2 O20 -","1","0.125","","L.N. Bezmaternykh; E.M. Kolesnikova; E.V. Eremin; S.N. Sofronova; N.V. Volkov; M.S. Molokeev","Magnetization pole reversal of ferrimagnetic ludwigites Mn3-xNixBO5","Journal of Magnetism and Magnetic Materials","2014","364","0","55","59","10.1016/j.jmmm.2014.04.031","","","0.71073","MoKα","","0.04","0.0381","","","0.109","0.1112","","","","","","1.007","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529441","7.17518","0.00018","6.60803","0.00016","12.89119","0.0003","90","","117.11","0.0014","90","","544.07","0.02","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Fe Ge2 O7 Sm -","- Fe Ge2 O7 Sm -","- Fe4 Ge8 O28 Sm4 -","4","1","","T.V. Drokina; G.A. Petrakovskii; D.A. Velikanov; M.S. Molokeev","Specific features of magnetic ordering in the SmFeGe2O7 compound","Physics of the Solid State","2014","56","6","1131","1136","10.1134/S1063783414060122","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.82","1.172","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529459","9.819765","0.000095","13.52645","0.00012","7.327511","0.000065","90","","90","","90","","973.288","0.015","300","","300","","","","","","","","","4","P c n b","-P 2b 2ac","60","","","","- Fe12.22 O56 Ti11.78 Tm8 -","- Fe12.216 O56 Ti11.784 Tm8 -","- Fe12.216 O56 Ti11.784 Tm8 -","1","0.125","","T.V. Drokina; G.A. Petrakovskii; D.A. Velikanov; M.S. Molokeev","X-Ray and Magnetic Measurements of TmFeTi2O7","Solid State Phenomena","2014","215","0","470","473","10.4028/www.scientific.net/SSP.215.470","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.84","1.206","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1542840","11.9406","0.0016","21.3081","0.0019","5.103","0.0014","92.373","0.015","93.003","0.016","85.308","0.017","1291.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACM-CPR","","","- C27 H29 Cl N2 O7 -","- C27 H29 Cl N2 O7 -","- C54 H58 Cl2 N4 O14 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir","Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt","IUCrJ","2014","1","2","136","150","10.1107/S2052252514004229","powder diffraction","","1.5418","CuKα","","","","","","","","","0.0784","1.1753","","","","","","","has coordinates,has Fobs","213152","2020-10-21","18:00:00",""
"1542841","11.89","0.0008","4.9621","0.0003","21.4281","0.0014","90","","90.663","0.006","90","","1264.16","0.14","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","ACM-INA","","","- C27 H24 Cl N3 O7 -","- C27 H24 Cl N3 O7 -","- C54 H48 Cl2 N6 O14 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir","Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt","IUCrJ","2014","1","2","136","150","10.1107/S2052252514004229","","","0.71073","MoKα","","0.1248","0.0679","","","0.0795","0.0974","","","","","","1.042","","","","has coordinates,has Fobs","213153","2020-10-21","18:00:00",""
"1542842","16.959","0.006","4.7993","0.0015","17.285","0.005","90","","113.55","0.04","90","","1289.7","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 Cl N2 O8 -","- C28 H24 Cl N2 O8 -","- C56 H48 Cl2 N4 O16 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir","Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt","IUCrJ","2014","1","2","136","150","10.1107/S2052252514004229","","","0.71073","MoKα","","0.1999","0.0882","","","0.0964","0.1435","","","","","","0.998","","","","has coordinates,has Fobs","213154","2020-10-21","18:00:00",""
"1542843","21.7202","0.0015","5.0077","0.0014","11.8457","0.0017","90","","93.954","0.013","90","","1285.4","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H24 Cl N3 O7 -","- C27 H24 Cl N3 O7 -","- C54 H48 Cl2 N6 O14 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir","Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt","IUCrJ","2014","1","2","136","150","10.1107/S2052252514004229","powder diffraction","","1.5418","CuKα","","","","","","","","","0.0607","2.0013","","","","","","","has coordinates,has Fobs","213155","2020-10-21","18:00:00",""
"1542844","7.3994","0.0015","25.6703","0.0019","5.8254","0.0017","90.162","0.017","98.598","0.016","98.315","0.019","1082.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ACM-PPZ","","","- C46 H46 Cl2 N4 O12 -","- C46 H46 Cl2 N4 O12 -","- C46 H46 Cl2 N4 O12 -","1","0.5","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir","Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt","IUCrJ","2014","1","2","136","150","10.1107/S2052252514004229","powder diffraction","","1.5418","CuKα","","","","","","","","","0.0595","1.6423","","","","","","","has coordinates,has Fobs","213156","2020-10-21","18:00:00",""
"1542845","7.0243","0.0014","9.4152","0.0018","10.928","0.002","82.75","0.006","79.147","0.006","76.703","0.005","688.2","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl4 N O -","- C12 H9 Cl4 N O -","- C24 H18 Cl8 N2 O2 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0417","0.0322","","","0.0802","0.0836","","","","","","1.088","","","","has coordinates","178187","2020-10-21","18:00:00",""
"1542846","6.9676","0.0007","21.336","0.002","9.1861","0.001","90","","99.139","0.007","90","","1348.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl4 N O -","- C12 H9 Cl4 N O -","- C48 H36 Cl16 N4 O4 -","4","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0395","0.033","","","0.0815","0.0846","","","","","","1.087","","","","has coordinates","178187","2020-10-21","18:00:00",""
"1542847","7.0572","0.0006","15.4665","0.0013","13.2112","0.0011","90","","98.98","0.007","90","","1424.3","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","2","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0276","0.0256","","","0.055","0.0558","","","","","","1.057","","","","has coordinates","178187","2020-10-21","18:00:00",""
"1542848","22.638","0.005","7.2553","0.0011","18.013","0.003","90","","90.767","0.009","90","","2958.3","0.9","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C96 H64 Cl40 N8 O8 -","8","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0957","0.0925","","","0.2002","0.2015","","","","","","1.206","","","","has coordinates","178187","2020-10-21","18:00:00",""
"1542849","7.0681","0.0006","9.5008","0.0008","11.4095","0.0009","85.402","0.006","83.071","0.006","71.211","0.005","719.36","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H7 Cl5 N O -","- C12 H7 Cl5 N O -","- C24 H14 Cl10 N2 O2 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0705","0.0642","","","0.1448","0.1496","","","","","","1.037","","","","has coordinates","178187","2020-10-21","18:00:00",""
"1542850","7.0562","0.0015","9.373","0.002","11.11","0.002","83.358","0.006","79.173","0.006","76.588","0.005","700","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Br Cl3 N O -","- C12 H9 Br Cl3 N O -","- C24 H18 Br2 Cl6 N2 O2 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0493","0.0394","","","0.0935","0.0978","","","","","","1.037","","","","has coordinates","178187","2020-10-21","18:00:00",""
"1542851","7.083","0.003","9.354","0.004","11.456","0.005","84.118","0.007","79.555","0.007","76.553","0.007","724.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Cl3 I N O -","- C12 H9 Cl3 I N O -","- C24 H18 Cl6 I2 N2 O2 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0311","0.0276","","","0.0593","0.0697","","","","","","1.119","","","","has coordinates","178187","2020-10-21","18:00:00",""
"1542852","7.107","0.002","9.498","0.003","11.827","0.003","85.425","0.006","81.804","0.006","71.851","0.005","750.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H7 Cl4 I N O -","- C12 H7 Cl4 I N O -","- C24 H14 Cl8 I2 N2 O2 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0541","0.0475","","","0.1202","0.1235","","","","","","1.199","","","","has coordinates,has disorder","178187","2020-10-21","18:00:00",""
"1542853","7.851","0.005","11.865","0.007","14.891","0.008","90","","106.79","0.03","90","","1328","1.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl4 N O -","- C12 H9 Cl4 N O -","- C48 H36 Cl16 N4 O4 -","4","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0443","0.0416","","","0.1336","0.1436","","","","","","1.139","","","","has coordinates","178187","2020-10-21","18:00:00",""
"1542854","7.208","0.009","9.333","0.01","10.884","0.013","99.035","0.014","107.107","0.006","102.219","0.01","664.8","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl4 N O -","- C12 H9 Cl4 N O -","- C24 H18 Cl8 N2 O2 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0452","0.0422","","","0.1161","0.139","","","","","","1.144","","","","has coordinates","178187","2020-10-21","18:00:00",""
"1542855","7.1441","0.0008","9.3027","0.001","11.8726","0.0013","77.966","0.005","74.889","0.005","77.979","0.005","735.06","0.14","150","","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0417","0.0371","","","0.0964","0.0992","","","","","","1.094","","","","has coordinates","178187","2020-10-21","18:00:00",""
"1542856","7.206","0.0008","9.2558","0.001","11.3203","0.0012","99.693","0.007","99.616","0.007","101.387","0.007","713.76","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0281","0.0252","","","0.0649","0.0665","","","","","","1.074","","","","has coordinates","178187","2020-10-21","18:00:00",""
"1542857","24.698","0.002","5.1072","0.0005","20.6682","0.0019","90","","99.673","0.012","90","","2570","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0428","0.0385","","","0.1053","0.1085","","","","","","1.097","","","","has coordinates","178187","2020-10-21","18:00:00",""
"1542858","12.41","0.015","5.124","0.006","20.06","0.02","90","","92.901","0.014","90","","1274","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0607","0.0476","","","0.1336","0.1689","","","","","","1.141","","","","has coordinates","178187","2020-10-21","18:00:00",""
"1542859","4.76","0.002","11.501","0.006","12.539","0.006","77.081","0.006","86.975","0.006","81.302","0.006","661.2","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C28 H28 N4 O10 -","2","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0503","0.0402","","","0.1021","0.1083","","","","","","1.035","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1542860","12.6641","0.0014","26.23","0.003","35.269","0.004","90","","90","","90","","11716","2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C44 H40 Ag2 N12 O8 -","- C44 H40 Ag2 N12 O8 -","- C352 H320 Ag16 N96 O64 -","8","1","","Jiang, Ji-Jun; He, Jian-Rong; Lü, Xing-Qiang; Wang, Da-Wei; Li, Guo-Bi; Su, Cheng-Yong","Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal‒organic solid solution","IUCrJ","2014","1","5","318","327","10.1107/S2052252514015966","","","0.71073","MoKα","","0.1714","0.1008","","","0.2135","0.2328","","","","","","1.015","","","","has coordinates,has disorder","178188","2020-10-21","18:00:00",""
"1542861","6.4005","0.0006","26.426","0.003","35.016","0.003","90","","90","","90","","5922.6","1","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C24 H20 Ag F3 N6 O11 -","- C24 H20 Ag F3 N6 O11 -","- C192 H160 Ag8 F24 N48 O88 -","8","0.5","","Jiang, Ji-Jun; He, Jian-Rong; Lü, Xing-Qiang; Wang, Da-Wei; Li, Guo-Bi; Su, Cheng-Yong","Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal‒organic solid solution","IUCrJ","2014","1","5","318","327","10.1107/S2052252514015966","","","0.71073","MoKα","","0.1297","0.0907","","","0.1745","0.1991","","","","","","1.117","","","","has coordinates,has disorder","178188","2020-10-21","18:00:00",""
"1542864","16.881","0.003","9.822","0.002","36.65","0.007","90","","91.48","0.03","90","","6075","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H42 Ge Si4 -","- C27 H42 Ge Si4 -","- C216 H336 Ge8 Si32 -","8","1","","Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph","σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes","Inorganica Chimica Acta","2014","422","","120","133","10.1016/j.ica.2014.07.005","","","0.71073","MoKα","","0.0492","0.0445","","","0.097","0.0995","","","","","","1.145","","","","has coordinates","178190","2020-10-21","18:00:00",""
"1542865","17.055","0.003","9.2847","0.0019","24.665","0.005","90","","107.01","0.03","90","","3734.9","1.4","240","2","240","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H60 Ge2 Si7 -","- C20 H60 Ge2 Si7 -","- C80 H240 Ge8 Si28 -","4","0.5","","Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph","σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes","Inorganica Chimica Acta","2014","422","","120","133","10.1016/j.ica.2014.07.005","","","0.71073","MoKα","","0.0394","0.0326","","","0.084","0.0872","","","","","","1.052","","","","has coordinates,has disorder","178190","2020-10-21","18:00:00",""
"1542866","16.971","0.003","9.1675","0.0018","24.282","0.005","90","","106.44","0.03","90","","3623.4","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H60 Ge3 Si6 -","- C20 H60 Ge3 Si6 -","- C80 H240 Ge12 Si24 -","4","0.5","","Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph","σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes","Inorganica Chimica Acta","2014","422","","120","133","10.1016/j.ica.2014.07.005","","","0.71073","MoKα","","0.0944","0.0566","","","0.1166","0.1271","","","","","","0.926","","","","has coordinates,has disorder","178190","2020-10-21","18:00:00",""
"1542867","15.585","0.003","9.899","0.002","58.109","0.012","90","","96.19","0.03","90","","8913","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H72 Ge2 Si9 -","- C24 H72 Ge2 Si9 -","- C192 H576 Ge16 Si72 -","8","1","","Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph","σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes","Inorganica Chimica Acta","2014","422","","120","133","10.1016/j.ica.2014.07.005","","","0.71073","MoKα","","0.1044","0.093","","","0.1745","0.1788","","","","","","1.343","","","","has coordinates","178190","2020-10-21","18:00:00",""
"1542868","8.9902","0.0018","9.1616","0.0018","16.368","0.003","82.1","0.03","75.6","0.03","66.72","0.03","1198.3","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H78 Ge2 Si10 -","- C26 H78 Ge2 Si10 -","- C26 H78 Ge2 Si10 -","1","0.5","","Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph","σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes","Inorganica Chimica Acta","2014","422","","120","133","10.1016/j.ica.2014.07.005","","","0.71073","MoKα","","0.0323","0.0299","","","0.0709","0.072","","","","","","1.036","","","","has coordinates","178190","2020-10-21","18:00:00",""
"1542869","16.022","0.003","9.915","0.002","26.387","0.005","90","","92.34","0.03","90","","4188.3","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H66 Ge8 Si2 -","- C22 H66 Ge8 Si2 -","- C88 H264 Ge32 Si8 -","4","0.5","","Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph","σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes","Inorganica Chimica Acta","2014","422","","120","133","10.1016/j.ica.2014.07.005","","","0.71073","MoKα","","0.0755","0.0593","","","0.1076","0.1124","","","","","","1.215","","","","has coordinates","178190","2020-10-21","18:00:00",""
"1542870","9.0562","0.0018","9.254","0.0019","16.465","0.003","82.49","0.03","76.48","0.03","67.77","0.03","1240.5","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H78 Ge8 Si4 -","- C26 H78 Ge8 Si4 -","- C26 H78 Ge8 Si4 -","1","0.5","","Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph","σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes","Inorganica Chimica Acta","2014","422","","120","133","10.1016/j.ica.2014.07.005","","","0.71073","MoKα","","0.0525","0.0421","","","0.1035","0.1085","","","","","","1.022","","","","has coordinates","178190","2020-10-21","18:00:00",""
"1542871","14.566","0.003","9.7242","0.0019","41.632","0.008","90","","94.27","0.03","90","","5881","2","136","2","136","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H90 Ge8 Si6 -","- C30 H90 Ge8 Si6 -","- C120 H360 Ge32 Si24 -","4","1","","Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph","σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes","Inorganica Chimica Acta","2014","422","","120","133","10.1016/j.ica.2014.07.005","","","0.71073","MoKα","","0.1267","0.0962","","","0.1439","0.1697","","","","","","1.087","","","","has coordinates","178190","2020-10-21","18:00:00",""
"1542872","9.755","0.002","9.882","0.002","33.4","0.007","88.55","0.03","83.27","0.03","66.97","0.03","2942","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H90 Ge3 Si12 -","- C30 H90 Ge3 Si12 -","- C60 H180 Ge6 Si24 -","2","1","","Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph","σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes","Inorganica Chimica Acta","2014","422","","120","133","10.1016/j.ica.2014.07.005","","","0.71073","MoKα","","0.0946","0.0582","","","0.1224","0.1358","","","","","","0.979","","","","has coordinates,has disorder","178190","2020-10-21","18:00:00",""
"1542873","9.2278","0.0018","32.901","0.007","12.868","0.005","90","","117.97","0.02","90","","3450.4","1.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 Ge2 Si7 -","- C18 H54 Ge2 Si7 -","- C72 H216 Ge8 Si28 -","4","1","","Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph","σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes","Inorganica Chimica Acta","2014","422","","120","133","10.1016/j.ica.2014.07.005","","","0.71073","MoKα","","0.1303","0.1158","","","0.2361","0.2435","","","","","","1.217","","","","has coordinates,has disorder","178190","2020-10-21","18:00:00",""
"1542874","14.513","0.002","14.513","0.002","10.772","0.002","90","","90","","120","","1964.9","0.5","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C18 H48 Ge Si4 -","- C18 H48 Ge Si4 -","- C54 H144 Ge3 Si12 -","3","0.333333","","Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph","σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes","Inorganica Chimica Acta","2014","422","","120","133","10.1016/j.ica.2014.07.005","","","0.71073","MoKα","","0.0233","0.0228","","","0.054","0.0542","","","","","","1.026","","","","has coordinates","178190","2020-10-21","18:00:00",""
"1542875","14.643","0.002","14.643","0.002","10.892","0.002","90","","90","","120","","2022.5","0.5","100","2","100","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C18 H48 Ge5 -","- C18 H48 Ge5 -","- C54 H144 Ge15 -","3","0.333333","","Hlina, Johann; Zitz, Rainer; Wagner, Harald; Stella, Filippo; Baumgartner, Judith; Marschner, Christoph","σ-Bond electron delocalization of branched oligogermanes and germanium containing oligosilanes","Inorganica Chimica Acta","2014","422","","120","133","10.1016/j.ica.2014.07.005","","","0.71073","MoKα","","0.0295","0.0289","","","0.0702","0.0705","","","","","","1.026","","","","has coordinates","178190","2020-10-21","18:00:00",""
"1542915","9.80934","0.0001","13.50693","0.00014","7.303017","0.000072","90","","90","","90","","967.606","0.017","300","","300","","","","","","","","","4","P c n b","-P 2b 2ac","60","","","","- Fe11.52 Lu8 O56 Ti12.48 -","- Fe11.52 Lu8 O56 Ti12.48 -","- Fe11.52 Lu8 O56 Ti12.48 -","1","0.125","","T.V. Drokina; G.A. Petrakovskii; M.S. Molokeev; A. Arauzo; J. Bartolome","Spin-glass Magnetism in RFeTi2O7 (R=Lu and Tb) Compounds","Physics Procedia","2014","75","0","580","588","10.1016/j.phpro.2015.12.074","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.24","","","","3.134","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1542916","9.8568","0.00013","13.59424","0.00018","7.3788","0.00011","90","","90","","90","","988.73","0.02","300","","300","","","","","","","","","4","P c n b","-P 2b 2ac","60","","","","- Fe7.34 O56 Tb8 Ti16.66 -","- Fe7.336 O56 Tb8 Ti16.664 -","- Fe7.336 O56 Tb8 Ti16.664 -","1","0.125","","T.V. Drokina; G.A. Petrakovskii; M.S. Molokeev; A. Arauzo; J. Bartolome","Spin-glass Magnetism in RFeTi2O7 (R=Lu and Tb) Compounds","Physics Procedia","2014","75","0","580","588","10.1016/j.phpro.2015.12.074","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.52","1.631","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1543031","10.1277","0.0001","10.1277","0.0001","3.53488","0.00004","90","","90","","120","","313.998","0.006","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Pentastrontium trilead(IV) zinc dodecaoxide","","- O12 Pb3 Sr5 Zn -","- O12 Pb3 Sr5 Zn -","- O12 Pb3 Sr5 Zn -","1","0.0833333","","Winiarski, M.J.; Szreder, N.A.; Barczynski, R.J.; Klimczuk, T.","Synthesis, single crystal growth and properties of Sr5Pb3ZnO12","Journal of Alloys and Compounds","2014","617","","63","68","10.1016/j.jallcom.2014.07.156","","","","","","0.1049","","","","","","","","","","","","","","","has coordinates","181512","2020-10-21","18:00:00",""
"1543548","9.2386","0.0004","11.0355","0.0005","15.494","0.0007","103.275","0.004","97.262","0.004","102.771","0.004","1473.06","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H38 F6 N4 O Os P2 -","- C26 H38 F6 N4 O Os P2 -","- C52 H76 F12 N8 O2 Os2 P4 -","2","1","","Preshendren Govender; Fabio Edafe; Banothile C.E. Makhubela; Paul J. Dyson; Bruno Therrien; Gregory S. Smith","Neutral and cationic osmium(II)-arene metallodendrimers: Synthesis, characterisation and anticancer activity","Inorganica Chimica Acta","2014","","","112","120","10.1016/j.ica.2013.05.025","","","0.71073","MoKα","","0.0467","0.0366","","","0.0758","0.078","","","","","","1.128","","","","has coordinates","288183","2023-12-08","14:40:53",""
"1543549","9.2552","0.0011","9.8786","0.0011","12.2867","0.0016","82.159","0.015","80.047","0.014","84.028","0.014","1092.4","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H26 Cl F6 N2 Os P -","- C19 H26 Cl F6 N2 Os P -","- C38 H52 Cl2 F12 N4 Os2 P2 -","2","1","","Preshendren Govender; Fabio Edafe; Banothile C.E. Makhubela; Paul J. Dyson; Bruno Therrien; Gregory S. Smith","Neutral and cationic osmium(II)-arene metallodendrimers: Synthesis, characterisation and anticancer activity","Inorganica Chimica Acta","2014","","","112","120","10.1016/j.ica.2013.05.025","","","0.71073","MoKα","","0.0649","0.052","","","0.1222","0.1278","","","","","","1.005","","","","has coordinates","288183","2023-12-08","14:41:23",""
"1543550","12.8543","0.0007","18.2467","0.0009","32.5773","0.0015","90","","90","","90","","7641","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cl N O Os -","- C20 H26 Cl N O Os -","- C320 H416 Cl16 N16 O16 Os16 -","16","2","","Preshendren Govender; Fabio Edafe; Banothile C.E. Makhubela; Paul J. Dyson; Bruno Therrien; Gregory S. Smith","Neutral and cationic osmium(II)-arene metallodendrimers: Synthesis, characterisation and anticancer activity","Inorganica Chimica Acta","2014","","","112","120","10.1016/j.ica.2013.05.025","","","0.71073","MoKα","","0.0487","0.0289","","","0.0504","0.0556","","","","","","1.004","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543551","7.9616","0.0002","24.3982","0.0008","9.9705","0.0003","90","","98.781","0.002","90","","1914.06","0.1","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C6 H19 B F10 N6 O4 Ru Si -","- C6 H19 B F10 N6 O4 Ru Si -","- C24 H76 B4 F40 N24 O16 Ru4 Si4 -","4","1","","Antonio Carlos Roveda Jr.; Thiago Bueno Ruiz Papa; Eduardo Ernesto Castellano; Douglas Wagner Franco","PAMAM dendrimers functionalized with ruthenium nitrosyl as nitric oxide carriers","Inorganica Chimica Acta","2014","","","147","155","10.1016/j.ica.2013.07.009","","x-ray","0.71073","MoKα","","0.0626","0.0473","","","0.1153","0.1246","","","","","","1.036","","","","has coordinates","211179","2020-10-21","18:00:00",""
"1543552","15.06929","0.00004","12.7795","0.0002","16.1807","0.0002","90","","104.002","0.001","90","","3023.46","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Cl2 N2 O Ru -","- C28 H38 Cl2 N2 O Ru -","- C112 H152 Cl8 N8 O4 Ru4 -","4","1","","Niels J.M. Pijnenburg; Eder Tomas-Mendivil; Kimberley E. Mayland; Henk Kleijn; Martin Lutz; Anthony L. Spek; Gerard van Koten; Robertus J.M. Klein Gebbink","Monomeric and dendritic second generation Grubbs- and Hoveyda-Grubbs-type catalysts for olefin metathesis","Inorganica Chimica Acta","2014","","","163","173","10.1016/j.ica.2013.06.018","","","0.71073","MoKα","","0.0441","0.0333","","","0.0919","0.0976","","","","","","1.105","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543555","7.7107","0.0006","8.6088","0.0007","10.1043","0.0008","89.33","0.002","76.717","0.002","82.163","0.003","646.55","0.09","","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 Cl Cu N4 O3 -","","","2","1","","Palanisamy Sathyadevi; Paramasivam Krishnamoorthy; Rachel R. Butorac; Alan H. Cowley; Nallasamy Dharmaraj","Novel ONN pincer type copper(II) hydrazide complexes: An investigation on the effect of electronegativity and ring size of heterocyclic hydrazides towards nucleic acid/protein binding, free radical scavenging and cytotoxicity","Inorganica Chimica Acta","2014","","","185","194","10.1016/j.ica.2013.09.015","","x-ray","0.71075","MoKα","","","0.0328","","","","0.0945","","","","","","1.076","","","","","211137","2020-10-21","18:00:00",""
"1543556","9.0713","0.0012","9.5507","0.0013","14.686","0.002","105.453","0.002","93.783","0.002","111.641","0.002","1120.6","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H46 Br0 Cl0 N2 O19 Zn2 -","- C43 H46 N2 O19 Zn2 -","- C43 H46 N2 O19 Zn2 -","1","0.5","","Jin-Xiang Chen; Wei-Er Lin; Ming Chen; Fu-Chang Que; Lei Tao; Xue-Lan Cen; Yang-Ming Zhou; Wen-Hua Chen","Synthesis and DNA photocleaving activities of ancillary ligand-containing zinc complexes of quaternized carboxylates","Inorganica Chimica Acta","2014","","","195","201","10.1016/j.ica.2013.09.033","","","0.71073","MoKα","","0.0476","0.0398","","","0.1291","0.1403","","","","","","1.133","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543557","18.228","0.002","18.281","0.002","14.9489","0.0019","90","","90","","90","","4981.4","1","110","2","110","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C88 H106 N8 O37 Zn2 -","- C88 H106 N8 O37 Zn2 -","- C176 H212 N16 O74 Zn4 -","2","0.5","","Jin-Xiang Chen; Wei-Er Lin; Ming Chen; Fu-Chang Que; Lei Tao; Xue-Lan Cen; Yang-Ming Zhou; Wen-Hua Chen","Synthesis and DNA photocleaving activities of ancillary ligand-containing zinc complexes of quaternized carboxylates","Inorganica Chimica Acta","2014","","","195","201","10.1016/j.ica.2013.09.033","","","0.71073","MoKα","","0.0984","0.095","","","0.1497","0.1519","","","","","","1.136","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543558","12.586","0.003","15.928","0.003","24.335","0.005","90","","94.28","0.03","90","","4864.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H76 N6 O24 Zn2 -","- C94 H76 N6 O24 Zn2 -","- C188 H152 N12 O48 Zn4 -","2","0.5","","Jin-Xiang Chen; Wei-Er Lin; Ming Chen; Fu-Chang Que; Lei Tao; Xue-Lan Cen; Yang-Ming Zhou; Wen-Hua Chen","Synthesis and DNA photocleaving activities of ancillary ligand-containing zinc complexes of quaternized carboxylates","Inorganica Chimica Acta","2014","","","195","201","10.1016/j.ica.2013.09.033","","","0.71073","MoKα","","0.0912","0.0845","","","0.1851","0.194","","","","","","1.196","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543559","7.1631","0.0009","8.3919","0.001","19.652","0.002","90","","90","","90","","1181.3","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Cu N5 O -","- C10 H13 Cu N5 O -","- C40 H52 Cu4 N20 O4 -","4","1","","Sourajit Banerjee; Chandan Adhikary; Corrado Rizzoli; Rammohan Pal","Single end to end azido bridged adduct of a tridentate schiff base copper(II) complex: Synthesis, structure, magnetism and catalytic studies","Inorganica Chimica Acta","2014","","","202","207","10.1016/j.ica.2013.09.032","","","0.71073","MoKα","","0.0442","0.0358","","","0.0807","0.0858","","","","","","1.048","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1543560","16.7322","0.001","16.3332","0.001","8.9388","0.0006","90","","96.44","0.001","90","","2427.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 Cd2 F2 N6 O22 -","- C44 H54 Cd2 F2 N6 O22 -","- C88 H108 Cd4 F4 N12 O44 -","2","0.5","","Xin Wang; Shi-Wei Yan; Juan Yang; Dong-Rong Xiao; Hua-Yi Zhang; Jin-Ling Zhang; Xiao-Lin Chi; En-Bo Wang","Three interdigitated metal-quinolone complexes from self-assembly of mixed ligands and cadmium salts","Inorganica Chimica Acta","2014","","","208","215","10.1016/j.ica.2013.09.031","","","0.71073","MoKα","","0.0282","0.0246","","","0.071","0.073","","","","","","1.005","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543561","8.9228","0.001","12.6783","0.0014","24.066","0.003","81.083","0.001","81.45","0.001","80.812","0.001","2633.6","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50.5 Cd2 N10 O18.25 -","- C44 H42 Cd2 N10 O18.25 -","- C88 H84 Cd4 N20 O36.5 -","2","1","","Xin Wang; Shi-Wei Yan; Juan Yang; Dong-Rong Xiao; Hua-Yi Zhang; Jin-Ling Zhang; Xiao-Lin Chi; En-Bo Wang","Three interdigitated metal-quinolone complexes from self-assembly of mixed ligands and cadmium salts","Inorganica Chimica Acta","2014","","","208","215","10.1016/j.ica.2013.09.031","","","0.71073","MoKα","","0.0621","0.0452","","","0.1211","0.1313","","","","","","1.119","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1543562","10.242","0.002","11.495","0.002","15.233","0.003","106.64","0.03","91.51","0.03","95.39","0.03","1708","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cd2 F N3 O14 -","- C34 H30 Cd2 F N3 O14 -","- C68 H60 Cd4 F2 N6 O28 -","2","1","","Xin Wang; Shi-Wei Yan; Juan Yang; Dong-Rong Xiao; Hua-Yi Zhang; Jin-Ling Zhang; Xiao-Lin Chi; En-Bo Wang","Three interdigitated metal-quinolone complexes from self-assembly of mixed ligands and cadmium salts","Inorganica Chimica Acta","2014","","","208","215","10.1016/j.ica.2013.09.031","","","0.71073","MoKα","","0.0594","0.0507","","","0.1591","0.1644","","","","","","1.267","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1543563","11.2649","0.0002","8.5931","0.0002","34.9591","0.0006","90","","90","","90","","3384.06","0.11","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Cl5 N4 O2 P3 -","- C8 H8 Cl5 N4 O2 P3 -","- C64 H64 Cl40 N32 O16 P24 -","8","1","","Hanife Ibisoglu; Serap Besli; Fatma Yuksel; Ilker Un; Adem Kilic","Investigation of nucleophilic substitution pathway for the reactions of 1,4-benzodioxan-6-amine with chlorocyclophosphazenes","Inorganica Chimica Acta","2014","","","216","226","10.1016/j.ica.2013.09.030","","","0.71073","MoKα","","0.0605","0.0388","","","0.0721","0.0784","","","","","","1.049","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543564","11.591","0.0002","12.3401","0.0002","17.852","0.0004","72.719","0.001","77.686","0.001","72.764","0.001","2306.62","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","BAP_SH_4_2","","","- C16 H16 Cl4 N5 O4 P3 -","- C16 H16 Cl4 N5 O4 P3 -","- C64 H64 Cl16 N20 O16 P12 -","4","2","","Hanife Ibisoglu; Serap Besli; Fatma Yuksel; Ilker Un; Adem Kilic","Investigation of nucleophilic substitution pathway for the reactions of 1,4-benzodioxan-6-amine with chlorocyclophosphazenes","Inorganica Chimica Acta","2014","","","216","226","10.1016/j.ica.2013.09.030","","","0.71073","MoKα","","0.0386","0.033","","","0.0834","0.0868","","","","","","1.048","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543565","13.6874","0.0003","15.0469","0.0004","19.1249","0.0005","82.033","0.001","75.768","0.001","74.482","0.001","3667.56","0.16","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl2 N7 O8 P3 -","- C32 H32 Cl2 N7 O8 P3 -","- C128 H128 Cl8 N28 O32 P12 -","4","2","","Hanife Ibisoglu; Serap Besli; Fatma Yuksel; Ilker Un; Adem Kilic","Investigation of nucleophilic substitution pathway for the reactions of 1,4-benzodioxan-6-amine with chlorocyclophosphazenes","Inorganica Chimica Acta","2014","","","216","226","10.1016/j.ica.2013.09.030","","","0.71073","MoKα","","0.0579","0.0422","","","0.0971","0.1025","","","","","","1.06","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1543566","5.963","0.0002","14.4888","0.0004","15.2425","0.0004","87.059","0.001","81.042","0.002","78.804","0.002","1275.78","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","tetramer","","","- C16 H16 Cl6 N6 O4 P4 -","- C16 H16 Cl6 N6 O4 P4 -","- C32 H32 Cl12 N12 O8 P8 -","2","1","","Hanife Ibisoglu; Serap Besli; Fatma Yuksel; Ilker Un; Adem Kilic","Investigation of nucleophilic substitution pathway for the reactions of 1,4-benzodioxan-6-amine with chlorocyclophosphazenes","Inorganica Chimica Acta","2014","","","216","226","10.1016/j.ica.2013.09.030","","","0.71073","MoKα","","0.0299","0.0272","","","0.069","0.0706","","","","","","1.064","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1543567","8.5036","0.0001","27.3073","0.0004","10.9003","0.0002","90","","90.878","0.001","90","","2530.87","0.07","126","2","126","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl6 N6 O4 P4 -","- C16 H16 Cl6 N6 O4 P4 -","- C64 H64 Cl24 N24 O16 P16 -","4","1","","Hanife Ibisoglu; Serap Besli; Fatma Yuksel; Ilker Un; Adem Kilic","Investigation of nucleophilic substitution pathway for the reactions of 1,4-benzodioxan-6-amine with chlorocyclophosphazenes","Inorganica Chimica Acta","2014","","","216","226","10.1016/j.ica.2013.09.030","","","0.71073","MoKα","","0.0398","0.0322","","","0.0782","0.082","","","","","","1.042","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543578","9.3954","0.0002","21.4086","0.0006","14.1823","0.0003","90","","91.591","0.002","90","","2851.56","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 Cu2 I4 N5 O -","- C19 H27 Cu2 I4 N5 O -","- C76 H108 Cu8 I16 N20 O4 -","4","1","","Li Li; Hong Chen; Yong-Zhen Qiao; Yun-Yin Niu","The subtle effect of methyl substituent in C2-symmetric template on the formation of halocluster hybrids","Inorganica Chimica Acta","2014","","","227","232","10.1016/j.ica.2013.09.029","","","0.71073","MoKα","","0.0535","0.0359","","","0.0638","0.0699","","","","","","1.014","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543579","6.611","0.006","16.669","0.015","13.969","0.011","90","","103.69","0.03","90","","1496","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Cu2 I3 N2 -","- C9 H12 Cu2 I3 N2 -","- C36 H48 Cu8 I12 N8 -","4","1","","Li Li; Hong Chen; Yong-Zhen Qiao; Yun-Yin Niu","The subtle effect of methyl substituent in C2-symmetric template on the formation of halocluster hybrids","Inorganica Chimica Acta","2014","","","227","232","10.1016/j.ica.2013.09.029","","","0.71073","MoKα","","0.0489","0.0359","","","0.0851","0.0917","","","","","","1.063","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543580","18.0755","0.0005","18.0755","0.0005","7.4501","0.0002","90","","90","","90","","2434.12","0.12","291","2","291.15","","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C8 H10 Ag I2 N2 -","- C8 H10 Ag I2 N2 -","- C64 H80 Ag8 I16 N16 -","8","","","Li Li; Hong Chen; Yong-Zhen Qiao; Yun-Yin Niu","The subtle effect of methyl substituent in C2-symmetric template on the formation of halocluster hybrids","Inorganica Chimica Acta","2014","","","227","232","10.1016/j.ica.2013.09.029","","","0.7107","MoKα","","0.0634","0.0475","","","0.1122","0.124","","","","","","1.013","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543581","6.8877","0.0003","16.7829","0.0007","14.5565","0.001","90","","103.211","0.006","90","","1638.14","0.16","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Ag4 I6 N4 -","- C18 H26 Ag4 I6 N4 -","- C36 H52 Ag8 I12 N8 -","2","0.5","","Li Li; Hong Chen; Yong-Zhen Qiao; Yun-Yin Niu","The subtle effect of methyl substituent in C2-symmetric template on the formation of halocluster hybrids","Inorganica Chimica Acta","2014","","","227","232","10.1016/j.ica.2013.09.029","","","0.7107","MoKα","","0.0721","0.0407","","","0.061","0.0696","","","","","","1.052","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543582","9.3092","0.0007","9.8379","0.0007","12.5824","0.0006","78","0.005","73.127","0.005","64.022","0.007","986.93","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Ag Br3 N4 -","- C16 H20 Ag Br3 N4 -","- C32 H40 Ag2 Br6 N8 -","2","1","","Li Li; Hong Chen; Yong-Zhen Qiao; Yun-Yin Niu","The subtle effect of methyl substituent in C2-symmetric template on the formation of halocluster hybrids","Inorganica Chimica Acta","2014","","","227","232","10.1016/j.ica.2013.09.029","","","0.71073","MoKα","","0.0528","0.0362","","","0.0736","0.0808","","","","","","0.988","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543583","6.7819","0.0003","16.2453","0.0008","13.4456","0.0007","90","","103.81","0.005","90","","1438.53","0.13","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Ag4 Br6 N4 -","- C18 H24 Ag4 Br6 N4 -","- C36 H48 Ag8 Br12 N8 -","2","0.5","","Li Li; Hong Chen; Yong-Zhen Qiao; Yun-Yin Niu","The subtle effect of methyl substituent in C2-symmetric template on the formation of halocluster hybrids","Inorganica Chimica Acta","2014","","","227","232","10.1016/j.ica.2013.09.029","","","0.7107","MoKα","","0.0703","0.0466","","","0.1265","0.1413","","","","","","1.034","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543584","14.848","0.006","6.391","0.002","7.149","0.003","90","","103.09","0.004","90","","660.8","0.4","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C15 H10 Cd O6 -","- C15 H10 Cd O6 -","- C30 H20 Cd2 O12 -","2","0.5","","Lan Qin; Lei Yu; Xiao-Zhi Yan; Wen-Na Zhao; Lei Han","Two sinusoidal wavelike 2D coordination polymers with benzophenone-4,4'-dicarboxylate","Inorganica Chimica Acta","2014","","","233","237","10.1016/j.ica.2013.09.028","","","0.71073","MoKα","","0.0187","0.0183","","","0.0481","0.0484","","","","","","1.09","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543585","14.539","0.003","6.3406","0.0013","7.2354","0.0014","90","","104.19","0.03","90","","646.7","0.2","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C15 H10 O6 Zn -","- C15 H10 O6 Zn -","- C30 H20 O12 Zn2 -","2","0.5","","Lan Qin; Lei Yu; Xiao-Zhi Yan; Wen-Na Zhao; Lei Han","Two sinusoidal wavelike 2D coordination polymers with benzophenone-4,4'-dicarboxylate","Inorganica Chimica Acta","2014","","","233","237","10.1016/j.ica.2013.09.028","","","0.71073","MoKα","","0.0793","0.0639","","","0.2145","0.2307","","","","","","1.171","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543586","9.364","0.002","10.099","0.002","11.111","0.003","63.414","0.009","76.315","0.01","71.406","0.011","885.1","0.4","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N O2.13 P -","- C22 H18 N O2.129 P -","- C44 H36 N2 O4.258 P2 -","2","1","","Nasser Nasser; Richard J. Puddephatt","Supramolecular chemistry of the ligand N,N'-bis(2-diphenylphosphinoethyl)phthalamide and its complexes with gold(I) and silver(I)","Inorganica Chimica Acta","2014","","","238","243","10.1016/j.ica.2013.09.024","","","0.71073","MoKα","","0.0715","0.0443","","","0.1218","0.1363","","","","","","1.038","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1543587","11.8968","0.0009","27.634","0.002","9.5537","0.0008","90","","98.554","0.005","90","","3105.9","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N2 O2 P2 -","- C36 H34 N2 O2 P2 -","- C144 H136 N8 O8 P8 -","4","1","","Nasser Nasser; Richard J. Puddephatt","Supramolecular chemistry of the ligand N,N'-bis(2-diphenylphosphinoethyl)phthalamide and its complexes with gold(I) and silver(I)","Inorganica Chimica Acta","2014","","","238","243","10.1016/j.ica.2013.09.024","","","0.71073","MoKα","","0.1149","0.0604","","","0.1309","0.153","","","","","","1.021","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543588","33.585","0.009","12.155","0.003","9.658","0.002","90","","93.54","0.01","90","","3935.1","1.6","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H36 Au2 Cl4 N2 O2 P2 -","- C37 H36 Au2 Cl4 N2 O2 P2 -","- C148 H144 Au8 Cl16 N8 O8 P8 -","4","0.5","","Nasser Nasser; Richard J. Puddephatt","Supramolecular chemistry of the ligand N,N'-bis(2-diphenylphosphinoethyl)phthalamide and its complexes with gold(I) and silver(I)","Inorganica Chimica Acta","2014","","","238","243","10.1016/j.ica.2013.09.024","","","0.71073","MoKα","","0.0911","0.0434","","","0.0789","0.0928","","","","","","1.022","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543589","11.128","0.003","13.002","0.004","15.233","0.004","72.428","0.012","74.971","0.011","78.552","0.01","2011.9","1","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H34 Ag2 F6 N2 O6 P2 -","- C40 H34 Ag2 F6 N2 O6 P2 -","- C80 H68 Ag4 F12 N4 O12 P4 -","2","1","","Nasser Nasser; Richard J. Puddephatt","Supramolecular chemistry of the ligand N,N'-bis(2-diphenylphosphinoethyl)phthalamide and its complexes with gold(I) and silver(I)","Inorganica Chimica Acta","2014","","","238","243","10.1016/j.ica.2013.09.024","","","0.71073","MoKα","","0.0761","0.0424","","","0.0896","0.0997","","","","","","1.101","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543590","7.9942","0.0012","15.505","0.002","10.2975","0.0015","90","","102.377","0.002","90","","1246.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H37 Cl2 N4 O9 Rh -","- C17 H37 Cl2 N4 O9 Rh -","- C34 H74 Cl4 N8 O18 Rh2 -","2","0.5","","Jack M. Carraher; Arkady Ellern; Andreja Bakac","Preparation and reactivity of macrocyclic rhodium(III) alkyl complexes","Inorganica Chimica Acta","2014","","","254","258","10.1016/j.ica.2013.09.022","","","0.71073","MoKα","","0.045","0.038","","","0.0929","0.0963","","","","","","1.152","","","","has coordinates,has disorder,has Fobs","211137","2020-10-21","18:00:00",""
"1543591","16.7567","0.0009","18.9758","0.001","15.5961","0.0008","90","","104.698","0.001","90","","4796.8","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Integration of Bak034","","","- C34 H54 Cl4 N8 O18 Rh2 -","- C34 H54 Cl4 N8 O18 Rh2 -","- C136 H216 Cl16 N32 O72 Rh8 -","4","1","","Jack M. Carraher; Arkady Ellern; Andreja Bakac","Preparation and reactivity of macrocyclic rhodium(III) alkyl complexes","Inorganica Chimica Acta","2014","","","254","258","10.1016/j.ica.2013.09.022","","","0.71073","MoKα","","0.1079","0.0822","","","0.2196","0.2418","","","","","","1.082","","","","has coordinates,has Fobs","211137","2020-10-21","18:00:00",""
"1543592","8.3303","0.0008","8.8013","0.0008","15.6701","0.0014","96.209","0.002","104.168","0.001","104.003","0.002","1063.6","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 Br2 Cd O26 S2 -","- C34 H40 Br2 Cd O26 S2 -","- C34 H40 Br2 Cd O26 S2 -","1","0.5","","Juan Shi; Yan-Chang Wang; Qiu-Ya Wang; Zun-Ting Zhang","Non-covalent interactions promoting assembly of 8-bromo-irisolidone-3'-sulfonate and metal(II) (M = copper, zinc, ferrum, nickel, magnesium, cadmium)","Inorganica Chimica Acta","2014","","","259","264","10.1016/j.ica.2013.09.012","","","0.71073","MoKα","","0.0512","0.0406","","","0.0938","0.0999","","","","","","1.098","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543593","8.2655","0.0008","8.664","0.0009","15.7231","0.0015","95.879","0.002","104.034","0.001","104.262","0.002","1042.83","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 Br2 Co O26 S2 -","- C34 H40 Br2 Co O26 S2 -","- C34 H40 Br2 Co O26 S2 -","1","0.5","","Juan Shi; Yan-Chang Wang; Qiu-Ya Wang; Zun-Ting Zhang","Non-covalent interactions promoting assembly of 8-bromo-irisolidone-3'-sulfonate and metal(II) (M = copper, zinc, ferrum, nickel, magnesium, cadmium)","Inorganica Chimica Acta","2014","","","259","264","10.1016/j.ica.2013.09.012","","","0.71073","MoKα","","0.0593","0.0418","","","0.0902","0.1","","","","","","1.053","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543594","8.27","0.0015","8.6609","0.0016","15.721","0.003","95.78","0.002","103.932","0.003","104.237","0.002","1043.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 Br2 O26 S2 Zn -","- C34 H40 Br2 O26 S2 Zn -","- C34 H40 Br2 O26 S2 Zn -","1","0.5","","Juan Shi; Yan-Chang Wang; Qiu-Ya Wang; Zun-Ting Zhang","Non-covalent interactions promoting assembly of 8-bromo-irisolidone-3'-sulfonate and metal(II) (M = copper, zinc, ferrum, nickel, magnesium, cadmium)","Inorganica Chimica Acta","2014","","","259","264","10.1016/j.ica.2013.09.012","","","0.71073","MoKα","","0.0653","0.0468","","","0.109","0.1213","","","","","","1.074","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543595","8.2811","0.0013","8.6908","0.0014","15.713","0.003","95.845","0.002","104.157","0.001","104.386","0.002","1046.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 Br2 Fe O26 S2 -","- C34 H40 Br2 Fe O26 S2 -","- C34 H40 Br2 Fe O26 S2 -","1","0.5","","Juan Shi; Yan-Chang Wang; Qiu-Ya Wang; Zun-Ting Zhang","Non-covalent interactions promoting assembly of 8-bromo-irisolidone-3'-sulfonate and metal(II) (M = copper, zinc, ferrum, nickel, magnesium, cadmium)","Inorganica Chimica Acta","2014","","","259","264","10.1016/j.ica.2013.09.012","","","0.71073","MoKα","","0.0699","0.0471","","","0.1047","0.1186","","","","","","1.051","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543596","8.2621","0.0009","8.6303","0.0009","15.7267","0.0017","95.604","0.002","103.893","0.003","104.322","0.001","1039.94","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 Br2 Ni O26 S2 -","- C34 H40 Br2 Ni O26 S2 -","- C34 H40 Br2 Ni O26 S2 -","1","0.5","","Juan Shi; Yan-Chang Wang; Qiu-Ya Wang; Zun-Ting Zhang","Non-covalent interactions promoting assembly of 8-bromo-irisolidone-3'-sulfonate and metal(II) (M = copper, zinc, ferrum, nickel, magnesium, cadmium)","Inorganica Chimica Acta","2014","","","259","264","10.1016/j.ica.2013.09.012","","","0.71073","MoKα","","0.0389","0.0325","","","0.0857","0.089","","","","","","1.284","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543597","8.2735","0.0014","8.6467","0.0016","15.725","0.003","95.879","0.003","104.021","0.002","104.274","0.003","1041.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 Br2 Mg O26 S2 -","- C34 H40 Br2 Mg O26 S2 -","- C34 H40 Br2 Mg O26 S2 -","1","0.5","","Juan Shi; Yan-Chang Wang; Qiu-Ya Wang; Zun-Ting Zhang","Non-covalent interactions promoting assembly of 8-bromo-irisolidone-3'-sulfonate and metal(II) (M = copper, zinc, ferrum, nickel, magnesium, cadmium)","Inorganica Chimica Acta","2014","","","259","264","10.1016/j.ica.2013.09.012","","","0.71073","MoKα","","0.1557","0.0728","","","0.1466","0.2007","","","","","","0.97","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543605","10.6521","0.0006","11.2072","0.0007","15.103","0.0008","70.22","0.004","73.026","0.004","61.446","0.004","1471.66","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H14 Cl N3 O3 Pt S -","- C11 H14 Cl N3 O3 Pt S -","- C44 H56 Cl4 N12 O12 Pt4 S4 -","4","2","","Seyyed Javad Sabounchei; Parisa Shahriary; Yasin Gholiee; Sadegh Salehzadeh; Hamid Reza Khavasi; Abdolkarim Chehregani","Platinum and palladium complexes with 5-methyl-5-(2-pyridyl)-2,4-imidazolidenedione: Synthesis, crystal and molecular structure, theoretical study, and pharmacological investigation","Inorganica Chimica Acta","2014","","","265","275","10.1016/j.ica.2013.09.051","","","0.71073","MoKα","","0.0838","0.0572","","","0.1335","0.1432","","","","","","0.972","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543606","23.214","0.003","11.1781","0.0013","7.3468","0.0011","90","","107.068","0.01","90","","1822.4","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C72 H72 N24 O16 -","8","1","","Seyyed Javad Sabounchei; Parisa Shahriary; Yasin Gholiee; Sadegh Salehzadeh; Hamid Reza Khavasi; Abdolkarim Chehregani","Platinum and palladium complexes with 5-methyl-5-(2-pyridyl)-2,4-imidazolidenedione: Synthesis, crystal and molecular structure, theoretical study, and pharmacological investigation","Inorganica Chimica Acta","2014","","","265","275","10.1016/j.ica.2013.09.051","","","0.71073","MoKα","","0.087","0.0484","","","0.1121","0.125","","","","","","1.01","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543607","10.3836","0.0005","16.5984","0.0007","13.0401","0.0007","90","","104.187","0.002","90","","2178.93","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl2 N2 O4 Pd -","- C20 H24 Cl2 N2 O4 Pd -","- C80 H96 Cl8 N8 O16 Pd4 -","4","1","","Ariadna Campos-Carrasco; Marlene Bruce; Mar Reguero; Anna M. Masdeu-Bulto","Pd(II) complexes with 3,3'-substituted bipyridine ligands: Synthesis, crystal structure, DFT calculations and catalytic studies in compressed carbon dioxide","Inorganica Chimica Acta","2014","","","285","295","10.1016/j.ica.2013.09.053","","","0.71073","MoKα","","0.0531","0.0439","","","0.0933","0.0966","","","","","","1.194","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543608","12.5678","0.001","14.6474","0.0012","13.8216","0.0011","90","","102.5","0.001","90","","2484","0.3","","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 As2 Cu N2 O8 V -","- C24 H19 As2 Cu N2 O8 V -","- C96 H76 As8 Cu4 N8 O32 V4 -","4","1","","Tiffany M. Smith; Adam Lau; Jon Zubieta","Hydrothermal syntheses and structures of bimetallic organoarsonate compounds of the Cu(II)-imine/VxOy/RAsO(3n)- family","Inorganica Chimica Acta","2014","","","296","301","10.1016/j.ica.2013.09.046","","x-ray","0.71073","MoKα","","0.0195","0.0173","","","0.0448","0.0457","","","","","","1.004","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543609","12.031","0.002","12.169","0.002","18.278","0.003","90.743","0.003","97.993","0.003","112.527","0.003","2441.4","0.7","","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H37 As4 Cu2 N4 O18 V3 -","- C44 H37 As4 Cu2 N4 O18 V3 -","- C88 H74 As8 Cu4 N8 O36 V6 -","2","1","","Tiffany M. Smith; Adam Lau; Jon Zubieta","Hydrothermal syntheses and structures of bimetallic organoarsonate compounds of the Cu(II)-imine/VxOy/RAsO(3n)- family","Inorganica Chimica Acta","2014","","","296","301","10.1016/j.ica.2013.09.046","","x-ray","0.71073","MoKα","","0.0314","0.0239","","","0.0543","0.0563","","","","","","1.037","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543610","17.109","0.0003","15.7941","0.0002","13.2947","0.0002","90","","90","","90","","3592.51","0.09","238","2","238","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H52 Cl2 Cu N4 O8 -","- C36 H52 Cl2 Cu N4 O8 -","- C144 H208 Cl8 Cu4 N16 O32 -","4","1","","Shin-Geol Kang; Yun-Taek Lee; Hyungphil Chun; Kimoon Kim","Synthesis of new structurally constrained tetraaza macropolycyclic compounds containing two rigid bridges: Crystal structure and chemical properties of a copper(II) complex","Inorganica Chimica Acta","2014","","","315","319","10.1016/j.ica.2013.09.018","","","0.71073","MoKα","","0.0686","0.052","","","0.1135","0.1252","","","","","","1.079","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543611","12.295","0.0004","30.7547","0.001","24.7649","0.0009","90","","97.53","0.001","90","","9283.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C105 H91 N9 O17 Zn4 -","- C105 H91 N9 O17 Zn4 -","- C420 H364 N36 O68 Zn16 -","4","1","","Veronica V. Semionova; Evgeni M. Glebov; Valeri V. Korolev; Sergey A. Sapchenko; Denis G. Samsonenko; Vladimir P. Fedin","Photochemistry of supramolecular complex formed by trans-stilbene and the metal-organic coordination polymer","Inorganica Chimica Acta","2014","","","342","348","10.1016/j.ica.2013.09.048","","x-ray","0.71073","MoKα","","0.1539","0.1089","","","0.2575","0.2748","","","","","","1.179","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1543612","7.2037","0.0001","8.2823","0.0002","9.993","0.0002","79.479","0.001","78.941","0.001","82.109","0.001","572.07","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H9 Cl2 Cu N9 O3 -","- C2 H9 Cl2 Cu N9 O3 -","- C4 H18 Cl4 Cu2 N18 O6 -","2","1","","Nan Li; Wen-Bin Chen; Yang-Fan Guan; Zhen-Jie OuYang; Wen Dong","Chlorine anion-pi and pi‒pi- interactions in two tetrazolyl derivative based Cu2+ complexes and quantum chemical calculations","Inorganica Chimica Acta","2014","","","349","352","10.1016/j.ica.2013.09.045","","","0.71073","MoKα","","0.0235","0.0218","","","0.0584","0.0596","","","","","","1.048","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543613","25.6175","0.0004","8.1931","0.0001","13.6443","0.0003","90","","98.522","0.001","90","","2832.14","0.08","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H34 Cu2 N26 O2 -","- C13 H34 Cu2 N26 O2 -","- C52 H136 Cu8 N104 O8 -","4","0.5","","Nan Li; Wen-Bin Chen; Yang-Fan Guan; Zhen-Jie OuYang; Wen Dong","Chlorine anion-pi and pi‒pi- interactions in two tetrazolyl derivative based Cu2+ complexes and quantum chemical calculations","Inorganica Chimica Acta","2014","","","349","352","10.1016/j.ica.2013.09.045","","","0.71073","MoKα","","0.0488","0.0364","","","0.0903","0.0949","","","","","","1.238","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543614","10.3386","0.0001","10.8828","0.0001","16.3217","0.0002","90","","94.219","0.001","90","","1831.43","0.03","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe O4 -","- C24 H18 Fe O4 -","- C96 H72 Fe4 O16 -","4","1","","Didem Ardali; Kamuran Gorgun; Deniz Hur","1,1''Bis'(n'benzotriazolyl) ferrocenecarboxamide: Precursor for synthesis of 1,1''bis'ferrocenoyl esters and thioesters","Inorganica Chimica Acta","2014","","","353","359","10.1016/j.ica.2013.09.005","","","0.71073","MoKα","","0.0352","0.0285","","","0.0695","0.0724","","","","","","1.031","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543945","13.097","0.003","12.836","0.003","16.875","0.003","90","","103.91","0.03","90","","2753.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 N4 Ni O5 -","- C32 H26 N4 Ni O5 -","- C128 H104 N16 Ni4 O20 -","4","1","","Na Xing; Li Ting Xu; Feng Ying Bai; Hui Shan; Yong Heng Xing; Zhan Shi","Synthesis and characterization of novel transition metal complexes with indole acetic acid ligands: Evaluation of their catalytic activity for the oxidation of cyclohexane","Inorganica Chimica Acta","2014","","","360","366","10.1016/j.ica.2013.09.004","","","0.71073","MoKα","","0.0697","0.0466","","","0.0927","0.1002","","","","","","1.057","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543946","13.182","0.003","12.875","0.003","16.793","0.003","90","","104.26","0.03","90","","2762.3","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Co N4 O5 -","- C32 H26 Co N4 O5 -","- C128 H104 Co4 N16 O20 -","4","1","","Na Xing; Li Ting Xu; Feng Ying Bai; Hui Shan; Yong Heng Xing; Zhan Shi","Synthesis and characterization of novel transition metal complexes with indole acetic acid ligands: Evaluation of their catalytic activity for the oxidation of cyclohexane","Inorganica Chimica Acta","2014","","","360","366","10.1016/j.ica.2013.09.004","","","0.71073","MoKα","","0.057","0.0387","","","0.085","0.0919","","","","","","1.035","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543950","6.6224","0.0002","13.9772","0.0005","13.0407","0.0004","90","","90","","90","","1207.08","0.07","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H12 Cd Cu O12 -","- C6 H12 Cd Cu O12 -","- C24 H48 Cd4 Cu4 O48 -","4","0.5","","V.S. Dhanya; M.R. Sudarsanakumar; S. Suma; M.R. Prathapachandra Kurup; Maheswaran Sithambaresan; Sunalya M. Roy; Shibu M. Eapen","Spectral, thermal, structural and microhardness studies of tetraaquabis(malonato)cadmium(II)copper(II): A new three-dimensional heterobimetallic framework system","Inorganica Chimica Acta","2014","","","367","371","10.1016/j.ica.2013.09.026","","","0.71073","MoKα","","0.0179","0.0162","","","0.0432","0.0455","","","","","","1.154","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543951","17.123","0.0014","12.2162","0.0014","38.296","0.004","90","","102.815","0.002","90","","7811.1","1.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H33 Ir N7 O5 P -","- C40.99 H29 Ir N7 O4.99 P -","- C327.92 H232 Ir8 N56 O39.92 P8 -","8","1","","Rui Zhao; Feng-Ling Wang; Gao Liu; Xuan Shen; Xin Wang; Ting Yang; Zhao Qiu; Ying-Jie Zhang; Su Jing; Yan Xu; Dun-Ru Zhu","Syntheses, structures and properties of cyclometalated iridium(III) complexes based on 2-phenyl-5-nitropyridyl and different strong-field ancillary ligands","Inorganica Chimica Acta","2014","","","372","378","10.1016/j.ica.2013.09.027","","","0.71073","MoKα","","0.0679","0.0433","","","0.1076","0.1216","","","","","","1.018","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1543952","11.823","0.003","12.656","0.003","17.343","0.004","85.868","0.003","74.196","0.003","65.607","0.003","2271.7","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H31 Cl6 Ir N5 O5 P -","- C43 H31 Cl6 Ir N5 O5 P -","- C86 H62 Cl12 Ir2 N10 O10 P2 -","2","1","","Rui Zhao; Feng-Ling Wang; Gao Liu; Xuan Shen; Xin Wang; Ting Yang; Zhao Qiu; Ying-Jie Zhang; Su Jing; Yan Xu; Dun-Ru Zhu","Syntheses, structures and properties of cyclometalated iridium(III) complexes based on 2-phenyl-5-nitropyridyl and different strong-field ancillary ligands","Inorganica Chimica Acta","2014","","","372","378","10.1016/j.ica.2013.09.027","","","0.71073","MoKα","","0.0631","0.047","","","0.1306","0.1409","","","","","","1.029","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543953","12.1294","0.001","14.2619","0.0012","14.6503","0.0013","85.858","0.001","79.708","0.001","66.392","0.001","2284.9","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H31 Cl6 Ir N5 O4 P S -","- C43 H31 Cl6 Ir N5 O4 P S -","- C86 H62 Cl12 Ir2 N10 O8 P2 S2 -","2","1","","Rui Zhao; Feng-Ling Wang; Gao Liu; Xuan Shen; Xin Wang; Ting Yang; Zhao Qiu; Ying-Jie Zhang; Su Jing; Yan Xu; Dun-Ru Zhu","Syntheses, structures and properties of cyclometalated iridium(III) complexes based on 2-phenyl-5-nitropyridyl and different strong-field ancillary ligands","Inorganica Chimica Acta","2014","","","372","378","10.1016/j.ica.2013.09.027","","","0.71073","MoKα","","0.0441","0.0384","","","0.1097","0.1133","","","","","","1.091","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543954","9.9483","0.0003","8.0475","0.0003","24.5645","0.0007","90","","98.205","0.002","90","","1946.48","0.11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Co N8 O10 S2 -","- C36 H38 Co N8 O10 S2 -","- C72 H76 Co2 N16 O20 S4 -","2","0.5","","Farivash Darabi; Hassan Hadadzadeh; Malihe Ebrahimi; Taghi Khayamian; Hadi Amiri Rudbari","The piroxicam complex of cobalt(II): Synthesis in two different ionic liquids, structure, DNA- and BSA interaction and molecular modeling","Inorganica Chimica Acta","2014","","","379","389","10.1016/j.ica.2013.09.035","","","0.71073","MoKα","","0.1059","0.046","","","0.1153","0.1499","","","","","","0.918","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543955","10.4196","0.0007","10.4844","0.0007","45.63","0.003","90","","90","","90","","4984.8","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H66 B N O5 Ru -","- C56 H66 B N O5 Ru -","- C224 H264 B4 N4 O20 Ru4 -","4","1","","Dmitry S. Perekalin; Alexander P. Molotkov; Yulia V. Nelyubina; Natalia Yu. Anisimova; Alexander R. Kudinov","Synthesis of amino acid esters of the ruthenium naphthalene complex [(C5Me4CH2OH)Ru(C10H8)]+","Inorganica Chimica Acta","2014","","","390","393","10.1016/j.ica.2013.10.002","","","0.71073","MoKα","","0.0398","0.0363","","","0.0766","0.0781","","","","","","1.043","","","","has coordinates,has Fobs","211137","2020-10-21","18:00:00",""
"1543956","13.8899","0.0005","25.058","0.002","7.5601","0.0005","90","","98.368","0.004","90","","2603.3","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Cd0.5 Cl N3 O -","- C10 H9 Cd0.5 Cl N3 O -","- C80 H72 Cd4 Cl8 N24 O8 -","8","1","","Serkan Demir; Turan K. Yazicilar; Murat Tas","Two novel analogous Ni(II) and Cd(II) complexes of an imidazole based Schiff base obtained from imidazole-4-carbaldehyde and 2-aminophenol","Inorganica Chimica Acta","2014","","","398","406","10.1016/j.ica.2013.09.047","","","0.71073","MoKα","","0.1208","0.0688","","","0.2014","0.2383","","","","","","1.111","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543957","7.9712","0.0005","12.9977","0.001","10.537","0.0007","90","","96.647","0.006","90","","1084.37","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 N6 Ni O2 -","- C20 H18 Cl2 N6 Ni O2 -","- C40 H36 Cl4 N12 Ni2 O4 -","2","0.5","","Serkan Demir; Turan K. Yazicilar; Murat Tas","Two novel analogous Ni(II) and Cd(II) complexes of an imidazole based Schiff base obtained from imidazole-4-carbaldehyde and 2-aminophenol","Inorganica Chimica Acta","2014","","","398","406","10.1016/j.ica.2013.09.047","","","0.71073","MoKα","","0.0557","0.0392","","","0.0918","0.1048","","","","","","1.039","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1543958","9.9011","0.0008","9.9889","0.0008","11.0849","0.001","93.694","0.007","102.311","0.007","98.785","0.007","1053.18","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H50 Cu2 N10 O14 -","- C34 H50 Cu2 N10 O14 -","- C34 H50 Cu2 N10 O14 -","1","0.5","","Fatih Semerci; Okan Zafer Yesilel; Halis Olmez; Orhan Buyukgungor","Supramolecular assemblies of copper(II)-pyridine-2,3-dicarboxylate complexes with N-donor ligands and clustered water molecules","Inorganica Chimica Acta","2014","","","407","417","10.1016/j.ica.2013.10.006","","","0.71073","MoKα","","0.046","0.0382","","","0.0902","0.0932","","","","","","1.1","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543959","6.8656","0.0008","8.1719","0.0011","11.3542","0.0015","95.23","0.011","91.734","0.01","102.113","0.01","619.45","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cu N6 O10 -","- C22 H24 Cu N6 O10 -","- C22 H24 Cu N6 O10 -","1","0.5","","Fatih Semerci; Okan Zafer Yesilel; Halis Olmez; Orhan Buyukgungor","Supramolecular assemblies of copper(II)-pyridine-2,3-dicarboxylate complexes with N-donor ligands and clustered water molecules","Inorganica Chimica Acta","2014","","","407","417","10.1016/j.ica.2013.10.006","","","0.71073","MoKα","","0.0354","0.0311","","","0.0786","0.0806","","","","","","1.049","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543960","7.3452","0.0002","13.6255","0.0004","16.7375","0.0005","90","","90.77","0.002","90","","1674.97","0.08","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 Cu N3 O6 -","- C13 H23 Cu N3 O6 -","- C52 H92 Cu4 N12 O24 -","4","1","","Fatih Semerci; Okan Zafer Yesilel; Halis Olmez; Orhan Buyukgungor","Supramolecular assemblies of copper(II)-pyridine-2,3-dicarboxylate complexes with N-donor ligands and clustered water molecules","Inorganica Chimica Acta","2014","","","407","417","10.1016/j.ica.2013.10.006","","","0.71073","MoKα","","0.055","0.047","","","0.1335","0.1382","","","","","","1.057","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543961","6.5531","0.0004","8.1689","0.0005","12.1297","0.0007","100.011","0.005","103.989","0.004","101.064","0.005","601.59","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H15 Cu N3 O5 -","- C10 H15 Cu N3 O5 -","- C20 H30 Cu2 N6 O10 -","2","1","","Fatih Semerci; Okan Zafer Yesilel; Halis Olmez; Orhan Buyukgungor","Supramolecular assemblies of copper(II)-pyridine-2,3-dicarboxylate complexes with N-donor ligands and clustered water molecules","Inorganica Chimica Acta","2014","","","407","417","10.1016/j.ica.2013.10.006","","","0.71073","MoKα","","0.0425","0.0378","","","0.0896","0.092","","","","","","1.111","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543964","10.463","0.001","10.74","0.0008","18.3383","0.0013","96.767","0.006","99.435","0.007","98.926","0.007","1986.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H16 Mo4 N4 O14 -","- C9 H16 Mo4 N4 O14 -","- C36 H64 Mo16 N16 O56 -","4","2","","Hai-Juan Du; Li-Wei Mi; Zhong-Cheng Yue; Yun-Yin Niu; Hong-Wei Hou","Templated fabrication, isomer recognition of series of 1,1'-(alkane-1,omega-diyl)-bis(3-methylimidazolium)-induced polyoxometalates (omega = 1-11)","Inorganica Chimica Acta","2014","","","418","426","10.1016/j.ica.2013.09.050","","","0.71073","MoKα","","0.0359","0.0271","","","0.0562","0.0602","","","","","","1.077","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543965","12.6049","0.001","21.9318","0.0013","18.1934","0.001","90","","100.868","0.006","90","","4939.3","0.6","291.15","","291.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H53 Mo8 N3 O28 -","- C30 H49 Mo8 N3 O28 -","- C120 H196 Mo32 N12 O112 -","4","1","","Hai-Juan Du; Li-Wei Mi; Zhong-Cheng Yue; Yun-Yin Niu; Hong-Wei Hou","Templated fabrication, isomer recognition of series of 1,1'-(alkane-1,omega-diyl)-bis(3-methylimidazolium)-induced polyoxometalates (omega = 1-11)","Inorganica Chimica Acta","2014","","","418","426","10.1016/j.ica.2013.09.050","","","0.7107","MoKα","","0.0608","0.0374","","","0.0717","0.0817","","","","","","1.049","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1543966","12.312","0.002","12.981","0.002","17.015","0.003","95.44","0.014","96.723","0.015","109.198","0.016","2524.6","0.8","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H110 Mo16 N12 O54 -","- C58 H110 Mo16 N12 O54 -","- C58 H110 Mo16 N12 O54 -","1","0.5","","Hai-Juan Du; Li-Wei Mi; Zhong-Cheng Yue; Yun-Yin Niu; Hong-Wei Hou","Templated fabrication, isomer recognition of series of 1,1'-(alkane-1,omega-diyl)-bis(3-methylimidazolium)-induced polyoxometalates (omega = 1-11)","Inorganica Chimica Acta","2014","","","418","426","10.1016/j.ica.2013.09.050","","","0.71073","MOKα","","0.0874","0.0506","","","0.0929","0.1107","","","","","","1.009","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543967","20.1811","0.0018","10.64","0.001","20.2459","0.0018","90","","109.363","0.01","90","","4101.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 Mo8 N8 O26 -","- C20 H32 Mo8 N8 O26 -","- C80 H128 Mo32 N32 O104 -","4","0.5","","Hai-Juan Du; Li-Wei Mi; Zhong-Cheng Yue; Yun-Yin Niu; Hong-Wei Hou","Templated fabrication, isomer recognition of series of 1,1'-(alkane-1,omega-diyl)-bis(3-methylimidazolium)-induced polyoxometalates (omega = 1-11)","Inorganica Chimica Acta","2014","","","418","426","10.1016/j.ica.2013.09.050","","","0.71073","MoKα","","0.0357","0.0244","","","0.0493","0.0507","","","","","","1.009","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543968","10.3059","0.0008","10.9132","0.0009","21.2906","0.001","96.707","0.005","96.709","0.005","116.082","0.008","2097.7","0.3","291.15","","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 Mo8 N8 O26 -","- C22 H36 Mo8 N8 O26 -","- C44 H72 Mo16 N16 O52 -","2","1","","Hai-Juan Du; Li-Wei Mi; Zhong-Cheng Yue; Yun-Yin Niu; Hong-Wei Hou","Templated fabrication, isomer recognition of series of 1,1'-(alkane-1,omega-diyl)-bis(3-methylimidazolium)-induced polyoxometalates (omega = 1-11)","Inorganica Chimica Acta","2014","","","418","426","10.1016/j.ica.2013.09.050","","","0.7107","MoKα","","0.0605","0.0499","","","0.1371","0.145","","","","","","1.066","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543969","9.7217","0.0006","10.6264","0.0006","11.6749","0.0007","63.759","0.001","89.823","0.001","74.997","0.001","1036.25","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 Mo4 N4 O13 -","- C12 H20 Mo4 N4 O13 -","- C24 H40 Mo8 N8 O26 -","2","1","","Hai-Juan Du; Li-Wei Mi; Zhong-Cheng Yue; Yun-Yin Niu; Hong-Wei Hou","Templated fabrication, isomer recognition of series of 1,1'-(alkane-1,omega-diyl)-bis(3-methylimidazolium)-induced polyoxometalates (omega = 1-11)","Inorganica Chimica Acta","2014","","","418","426","10.1016/j.ica.2013.09.050","","","0.71073","MoKα","","0.0295","0.0273","","","0.0651","0.0664","","","","","","1.072","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543970","19.017","0.002","10.2226","0.0009","34.035","0.004","90","","94.734","0.011","90","","6593.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H98 Br0 Mo24 N16 O83 -","- C52 H98 Mo24 N16 O83 -","- C104 H196 Mo48 N32 O166 -","2","0.5","","Hai-Juan Du; Li-Wei Mi; Zhong-Cheng Yue; Yun-Yin Niu; Hong-Wei Hou","Templated fabrication, isomer recognition of series of 1,1'-(alkane-1,omega-diyl)-bis(3-methylimidazolium)-induced polyoxometalates (omega = 1-11)","Inorganica Chimica Acta","2014","","","418","426","10.1016/j.ica.2013.09.050","","","0.71073","MoKα","","0.0773","0.0567","","","0.14","0.1505","","","","","","1.051","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543971","10.3952","0.001","11.4323","0.0011","12.5375","0.0012","112.257","0.001","96.293","0.002","113.798","0.002","1199.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 Mo4 N4 O13 -","- C14 H24 Mo4 N4 O13 -","- C28 H48 Mo8 N8 O26 -","2","1","","Hai-Juan Du; Li-Wei Mi; Zhong-Cheng Yue; Yun-Yin Niu; Hong-Wei Hou","Templated fabrication, isomer recognition of series of 1,1'-(alkane-1,omega-diyl)-bis(3-methylimidazolium)-induced polyoxometalates (omega = 1-11)","Inorganica Chimica Acta","2014","","","418","426","10.1016/j.ica.2013.09.050","","","0.71073","MoKα","","0.0292","0.026","","","0.0649","0.0667","","","","","","1.082","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543972","10.1362","0.0013","12.646","0.004","19.1345","0.0012","92.188","0.012","98.683","0.008","112.18","0.02","2233","0.8","291","2","291","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H90 Mo16 N12 O54 -","- C45 H64 Mo16 N12 O54 -","- C45 H64 Mo16 N12 O54 -","1","0.5","","Hai-Juan Du; Li-Wei Mi; Zhong-Cheng Yue; Yun-Yin Niu; Hong-Wei Hou","Templated fabrication, isomer recognition of series of 1,1'-(alkane-1,omega-diyl)-bis(3-methylimidazolium)-induced polyoxometalates (omega = 1-11)","Inorganica Chimica Acta","2014","","","418","426","10.1016/j.ica.2013.09.050","","","0.7107","MoKα","","0.0512","0.0369","","","0.0807","0.0879","","","","","","1.062","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1543973","10.1983","0.0005","11.6038","0.0006","20.4333","0.0009","83.584","0.004","84.439","0.004","71.601","0.005","2275.2","0.2","291.15","","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 Mo8 N6 O27 -","- C24 H44 Mo8 N6 O27 -","- C48 H88 Mo16 N12 O54 -","2","1","","Hai-Juan Du; Li-Wei Mi; Zhong-Cheng Yue; Yun-Yin Niu; Hong-Wei Hou","Templated fabrication, isomer recognition of series of 1,1'-(alkane-1,omega-diyl)-bis(3-methylimidazolium)-induced polyoxometalates (omega = 1-11)","Inorganica Chimica Acta","2014","","","418","426","10.1016/j.ica.2013.09.050","","","0.7107","MoKα","","0.0611","0.0409","","","0.0937","0.111","","","","","","1.045","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543974","19.2425","0.0005","14.9094","0.0003","20.0859","0.0005","90","","107.357","0.003","90","","5500.1","0.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H60 Mo8 N8 O26 -","- C34 H60 Mo8 N8 O26 -","- C136 H240 Mo32 N32 O104 -","4","1","","Hai-Juan Du; Li-Wei Mi; Zhong-Cheng Yue; Yun-Yin Niu; Hong-Wei Hou","Templated fabrication, isomer recognition of series of 1,1'-(alkane-1,omega-diyl)-bis(3-methylimidazolium)-induced polyoxometalates (omega = 1-11)","Inorganica Chimica Acta","2014","","","418","426","10.1016/j.ica.2013.09.050","","","0.71073","MoKα","","0.0461","0.0328","","","0.0768","0.085","","","","","","1.001","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1543995","9.8153","0.0004","12.1328","0.0005","14.3022","0.0006","92.879","0.003","109.154","0.004","95.967","0.003","1593.74","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 Cu2 N16 Pt2 -","- C20 H36 Cu2 N16 Pt2 -","- C40 H72 Cu4 N32 Pt4 -","2","1","","Martin Vavra; Ivan Potocnak; Michal Dusek","Low-dimensional compounds containing cyanido groups. XXIV. Crystal structure, spectroscopic and thermal properties of two Cu(II) tetracyanidoplatinate complexes with tetradentate N-donor ligands","Inorganica Chimica Acta","2014","","","441","448","10.1016/j.ica.2013.09.016","","","0.71073","MoKα","","0.051","0.0201","","","0.0323","0.0346","","","","","","0.982","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543996","18.3173","0.0002","16.6679","0.0002","20.9465","0.0002","90","","90.677","0.001","90","","6394.75","0.12","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H92 Cu3 N24 O13 Pt3 -","- C36 H92 Cu3 N24 O13 Pt3 -","- C144 H368 Cu12 N96 O52 Pt12 -","4","1","","Martin Vavra; Ivan Potocnak; Michal Dusek","Low-dimensional compounds containing cyanido groups. XXIV. Crystal structure, spectroscopic and thermal properties of two Cu(II) tetracyanidoplatinate complexes with tetradentate N-donor ligands","Inorganica Chimica Acta","2014","","","441","448","10.1016/j.ica.2013.09.016","","","0.71073","MoKα","","0.0022","0.0017","","","0.0034","0.0034","","","","","","0.879","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543997","10.0914","0.0015","10.0967","0.0014","14.241","0.002","85.157","0.003","72.356","0.002","60.693","0.003","1202.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Cd3 N6 O26 S2 -","- C38 H40 Cd3 N6 O26 S2 -","- C38 H40 Cd3 N6 O26 S2 -","1","0.5","","Peter E. Kraft; Jessica E. Mizzi; Robert L. LaDuc","Divalent metal sulfoisophthalate coordination polymers with isomeric pyridylnicotinamide coligands","Inorganica Chimica Acta","2014","","","449","457","10.1016/j.ica.2013.10.003","","","0.71073","MoKα","","0.0371","0.0278","","","0.065","0.0679","","","","","","1.01","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543998","7.0135","0.0007","15.6662","0.0015","17.7329","0.0017","90","","95.094","0.001","90","","1940.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cd N3 O8 S -","- C19 H13 Cd N3 O8 S -","- C76 H52 Cd4 N12 O32 S4 -","4","1","","Peter E. Kraft; Jessica E. Mizzi; Robert L. LaDuc","Divalent metal sulfoisophthalate coordination polymers with isomeric pyridylnicotinamide coligands","Inorganica Chimica Acta","2014","","","449","457","10.1016/j.ica.2013.10.003","","","0.71073","MoKα","","0.0398","0.0305","","","0.0753","0.08","","","","","","1.022","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543999","9.1424","0.0007","9.8221","0.0007","13.138","0.001","96.645","0.001","103.55","0.001","116.283","0.001","995.22","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Cu N3 O9 S -","- C19 H15 Cu N3 O9 S -","- C38 H30 Cu2 N6 O18 S2 -","2","1","","Peter E. Kraft; Jessica E. Mizzi; Robert L. LaDuc","Divalent metal sulfoisophthalate coordination polymers with isomeric pyridylnicotinamide coligands","Inorganica Chimica Acta","2014","","","449","457","10.1016/j.ica.2013.10.003","","","0.71073","MoKα","","0.0375","0.0301","","","0.068","0.0726","","","","","","1.051","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544000","8.0802","0.0006","8.576","0.0007","15.1231","0.0012","95.933","0.001","92.595","0.001","104.682","0.001","1005.53","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 N3 O9.5 S Zn -","- C19 H14 N3 O9.5 S Zn -","- C38 H28 N6 O19 S2 Zn2 -","2","1","","Peter E. Kraft; Jessica E. Mizzi; Robert L. LaDuc","Divalent metal sulfoisophthalate coordination polymers with isomeric pyridylnicotinamide coligands","Inorganica Chimica Acta","2014","","","449","457","10.1016/j.ica.2013.10.003","","","0.71073","MoKα","","0.0341","0.0315","","","0.0962","0.098","","","","","","1.041","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544008","9.615","0.003","25.662","0.008","18.788","0.006","90","","93.9","0.03","90","","4625","3","80","2","80","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H54 Cl2 Mn2 O10 -","- C49 H54 Cl2 Mn2 O10 -","- C196 H216 Cl8 Mn8 O40 -","4","1","","Utko Jozef; Canaj Angelos B.; Milios Constantinos J.; Dobrzynska Danuta; Pawlus, Katarzyna; Mikołajczyk, Alicja; Lis, Tadeusz","Constructing anhydrous halide bridged manganese(II) clusters: Synthesis, structures and magnetic properties","Inorganica Chimica Acta","2014","","","458","464","10.1016/j.ica.2013.09.017","","","0.71073","MoKα","","0.0587","0.0321","","","0.0733","0.0789","","","","","","1.015","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1544009","22.08","0.006","11.657","0.003","23.525","0.007","90","","113.24","0.03","90","","5564","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58.2 H68.4 Cl3.04 Mn3 O9.92 -","- C58.202 H68.4 Cl3.04 Mn3 O9.92 -","- C232.808 H273.6 Cl12.16 Mn12 O39.68 -","4","1","","Utko Jozef; Canaj Angelos B.; Milios Constantinos J.; Dobrzynska Danuta; Pawlus, Katarzyna; Mikołajczyk, Alicja; Lis, Tadeusz","Constructing anhydrous halide bridged manganese(II) clusters: Synthesis, structures and magnetic properties","Inorganica Chimica Acta","2014","","","458","464","10.1016/j.ica.2013.09.017","","","0.71073","MoKα","","0.0958","0.0386","","","0.0597","0.0653","","","","","","1.035","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1544010","14.434","0.004","28.788","0.008","22.949","0.006","90","","98.16","0.03","90","","9439","5","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H108 Cl5 Mn4 Na O14 -","- C104.004 H108 Cl5 Mn4 Na O14.002 -","- C416.016 H432 Cl20 Mn16 Na4 O56.008 -","4","1","","Utko Jozef; Canaj Angelos B.; Milios Constantinos J.; Dobrzynska Danuta; Pawlus, Katarzyna; Mikołajczyk, Alicja; Lis, Tadeusz","Constructing anhydrous halide bridged manganese(II) clusters: Synthesis, structures and magnetic properties","Inorganica Chimica Acta","2014","","","458","464","10.1016/j.ica.2013.09.017","","","0.71073","MoKα","","0.0627","0.0355","","","0.0758","0.0799","","","","","","1.027","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1544011","14.388","0.004","28.901","0.008","23.224","0.006","90","","99.04","0.03","90","","9537","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H108 Cl5 K Mn4 O14 -","- C103.994 H108 Cl5 K Mn4 O14 -","- C415.976 H432 Cl20 K4 Mn16 O56 -","4","1","","Utko Jozef; Canaj Angelos B.; Milios Constantinos J.; Dobrzynska Danuta; Pawlus, Katarzyna; Mikołajczyk, Alicja; Lis, Tadeusz","Constructing anhydrous halide bridged manganese(II) clusters: Synthesis, structures and magnetic properties","Inorganica Chimica Acta","2014","","","458","464","10.1016/j.ica.2013.09.017","","","0.71073","MoKα","","0.1119","0.0455","","","0.0703","0.0776","","","","","","1.001","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1544012","14.507","0.004","28.547","0.008","23.052","0.007","90","","99.72","0.03","90","","9410","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C103 H106 Cl5 Li Mn4 O13.75 -","- C103 H106 Cl5 Li Mn4 O13.75 -","- C412 H424 Cl20 Li4 Mn16 O55 -","4","1","","Utko Jozef; Canaj Angelos B.; Milios Constantinos J.; Dobrzynska Danuta; Pawlus, Katarzyna; Mikołajczyk, Alicja; Lis, Tadeusz","Constructing anhydrous halide bridged manganese(II) clusters: Synthesis, structures and magnetic properties","Inorganica Chimica Acta","2014","","","458","464","10.1016/j.ica.2013.09.017","","","0.71073","MoKα","","0.0627","0.0404","","","0.0997","0.1054","","","","","","1.087","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1544013","8.9041","0.0006","8.889","0.0009","21.6996","0.0014","90","","99.065","0.006","90","","1696","0.2","","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Br Ge O2 -","","","4","1","","Philipp Kitschke; Alexander A. Auer; Andreas Seifert; Tobias Ruffer; Heinrich Lang; Michael Mehring","Synthesis, characterization and Twin Polymerization of a novel dioxagermine","Inorganica Chimica Acta","2014","","","472","478","10.1016/j.ica.2013.09.052","","x-ray","1.5418","CuKα","","","0.0332","","","0.0927","","","","","","","","","","","","211137","2020-10-21","18:00:00",""
"1544015","7.3759","0.0006","12.5195","0.0011","13.1527","0.0011","98.522","0.007","102.916","0.007","92.937","0.007","1166.26","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H26 Cl N3 O4 Ru S -","- C25 H26 Cl N3 O4 Ru S -","- C50 H52 Cl2 N6 O8 Ru2 S2 -","2","1","","Mathiyazhagan Ulaganatha Raja; Jiri Tauchman; Bruno Therrien; Georg Suss-Fink; Tina Riedel; Paul J. Dyson","Arene ruthenium and pentamethylcyclopentadienyl rhodium and iridium complexes containing N,O-chelating ligands derived from piroxicam: Synthesis, molecular structure and cytotoxicity","Inorganica Chimica Acta","2014","","","479","483","10.1016/j.ica.2013.08.013","","","0.71073","MoKα","","0.0521","0.0423","","","0.089","0.0928","","","","","","1.043","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544016","9.1907","0.0006","12.1973","0.0008","12.8848","0.0008","114.157","0.005","90.68","0.005","92.396","0.005","1316.1","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H27 Cl2 N3 O4 Ru S -","- C25 H27 Cl2 N3 O4 Ru S -","- C50 H54 Cl4 N6 O8 Ru2 S2 -","2","1","","Mathiyazhagan Ulaganatha Raja; Jiri Tauchman; Bruno Therrien; Georg Suss-Fink; Tina Riedel; Paul J. Dyson","Arene ruthenium and pentamethylcyclopentadienyl rhodium and iridium complexes containing N,O-chelating ligands derived from piroxicam: Synthesis, molecular structure and cytotoxicity","Inorganica Chimica Acta","2014","","","479","483","10.1016/j.ica.2013.08.013","","","0.71073","MoKα","","0.0623","0.0394","","","0.0702","0.075","","","","","","1.037","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544017","11.182","0.001","21.283","0.002","12.1581","0.00013","90","","112.719","0.002","90","","2669","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Co N8 O8 -","- C26 H22 Co N8 O8 -","- C104 H88 Co4 N32 O32 -","4","1","","Wang Jing-lin; Zhao Ya-qin; Yang Bin-sheng","Transition metal complexes of asymmetrical aroyl-hydrazone ligand: Syntheses, structures, DNA binding and cleavage studies","Inorganica Chimica Acta","2014","","","484","496","10.1016/j.ica.2013.09.001","","","0.71073","MoKα","","0.1686","0.0735","","","0.1549","0.1885","","","","","","1.044","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1544018","14.2124","0.0014","7.1502","0.0008","14.2714","0.0015","90","","103.154","0.001","90","","1412.2","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N4 O5 -","- C13 H14 N4 O5 -","- C52 H56 N16 O20 -","4","1","","Wang Jing-lin; Zhao Ya-qin; Yang Bin-sheng","Transition metal complexes of asymmetrical aroyl-hydrazone ligand: Syntheses, structures, DNA binding and cleavage studies","Inorganica Chimica Acta","2014","","","484","496","10.1016/j.ica.2013.09.001","","","0.71073","MoKα","","0.1334","0.0568","","","0.1169","0.1448","","","","","","1.013","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1544019","13.8197","0.0014","7.3488","0.001","15.9027","0.0018","90","","111.123","0.001","90","","1506.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Cl Cu N4 O5 -","- C13 H13 Cl Cu N4 O5 -","- C52 H52 Cl4 Cu4 N16 O20 -","4","1","","Wang Jing-lin; Zhao Ya-qin; Yang Bin-sheng","Transition metal complexes of asymmetrical aroyl-hydrazone ligand: Syntheses, structures, DNA binding and cleavage studies","Inorganica Chimica Acta","2014","","","484","496","10.1016/j.ica.2013.09.001","","","0.71073","MoKα","","0.0554","0.0322","","","0.0724","0.0856","","","","","","1.062","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544020","10.8267","0.0012","22.497","0.003","8.5677","0.001","90","","103.019","0.002","90","","2033.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cl2 Fe N4 O6 -","- C15 H19 Cl2 Fe N4 O6 -","- C60 H76 Cl8 Fe4 N16 O24 -","4","1","","Wang Jing-lin; Zhao Ya-qin; Yang Bin-sheng","Transition metal complexes of asymmetrical aroyl-hydrazone ligand: Syntheses, structures, DNA binding and cleavage studies","Inorganica Chimica Acta","2014","","","484","496","10.1016/j.ica.2013.09.001","","","0.71073","MoKα","","0.0776","0.0411","","","0.0843","0.1017","","","","","","1.034","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544021","10.0299","0.0013","10.4739","0.0014","11.407","0.0019","87.544","0.002","80.863","0.002","64.598","0.001","1068.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H50 Mn2 N8 O16 -","- C34 H50 Mn2 N8 O16 -","- C34 H50 Mn2 N8 O16 -","1","0.5","","Wang Jing-lin; Zhao Ya-qin; Yang Bin-sheng","Transition metal complexes of asymmetrical aroyl-hydrazone ligand: Syntheses, structures, DNA binding and cleavage studies","Inorganica Chimica Acta","2014","","","484","496","10.1016/j.ica.2013.09.001","","","0.71073","MoKα","","0.0901","0.0614","","","0.1537","0.1789","","","","","","1.047","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544022","9.4462","0.0012","9.9937","0.0014","10.0415","0.0016","89.029","0.002","70.647","0.001","63.244","0.001","788.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N4 O6 V -","- C14 H13 N4 O6 V -","- C28 H26 N8 O12 V2 -","2","1","","Wang Jing-lin; Zhao Ya-qin; Yang Bin-sheng","Transition metal complexes of asymmetrical aroyl-hydrazone ligand: Syntheses, structures, DNA binding and cleavage studies","Inorganica Chimica Acta","2014","","","484","496","10.1016/j.ica.2013.09.001","","","0.71073","MoKα","","0.048","0.0361","","","0.0872","0.0967","","","","","","1.081","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544023","16.2093","0.0019","15.7309","0.0017","8.5722","0.0011","90","","97.525","0.001","90","","2167","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N5 O6 V -","- C19 H26 N5 O6 V -","- C76 H104 N20 O24 V4 -","4","1","","Wang Jing-lin; Zhao Ya-qin; Yang Bin-sheng","Transition metal complexes of asymmetrical aroyl-hydrazone ligand: Syntheses, structures, DNA binding and cleavage studies","Inorganica Chimica Acta","2014","","","484","496","10.1016/j.ica.2013.09.001","","","0.71073","MoKα","","0.0853","0.0459","","","0.0763","0.0821","","","","","","1.043","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544046","6.2376","0.0012","8.6655","0.0017","14.49","0.003","74.19","0.03","89.09","0.03","88.7","0.03","753.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Ag2 Co N6 O11 -","- C8 H8 Ag2 Co N6 O11 -","- C16 H16 Ag4 Co2 N12 O22 -","2","1","","Ya-Guang Sun; Xin Gao; Gang Xiong; Wen-Hui Zong; Fu Ding; Zhen-He Xu; Shu-Ju Wang; Li-Xin You; Bao-Yi Ren; En-Jun Gao","Four 3d-4d heterometallic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylate: Synthesis, structures, and magnetic properties","Inorganica Chimica Acta","2014","","","497","502","10.1016/j.ica.2013.09.039","","","0.71073","MoKα","","0.0458","0.0325","","","0.0623","0.0677","","","","","","1.041","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544047","6.187","0.003","8.569","0.004","14.439","0.007","74.627","0.013","88.731","0.014","88.86","0.019","737.9","0.6","386","2","386","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Ag2 N6 Ni O11 -","- C8 H8 Ag2 N6 Ni O11 -","- C16 H16 Ag4 N12 Ni2 O22 -","2","1","","Ya-Guang Sun; Xin Gao; Gang Xiong; Wen-Hui Zong; Fu Ding; Zhen-He Xu; Shu-Ju Wang; Li-Xin You; Bao-Yi Ren; En-Jun Gao","Four 3d-4d heterometallic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylate: Synthesis, structures, and magnetic properties","Inorganica Chimica Acta","2014","","","497","502","10.1016/j.ica.2013.09.039","","","0.71073","MoKα","","0.0369","0.0262","","","0.0507","0.0522","","","","","","0.892","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544048","6.2461","0.0012","8.6465","0.0017","14.544","0.003","74.04","0.03","88.67","0.03","88.47","0.03","754.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Ag2 N6 O11 Zn -","- C8 H8 Ag2 N6 O11 Zn -","- C16 H16 Ag4 N12 O22 Zn2 -","2","1","","Ya-Guang Sun; Xin Gao; Gang Xiong; Wen-Hui Zong; Fu Ding; Zhen-He Xu; Shu-Ju Wang; Li-Xin You; Bao-Yi Ren; En-Jun Gao","Four 3d-4d heterometallic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylate: Synthesis, structures, and magnetic properties","Inorganica Chimica Acta","2014","","","497","502","10.1016/j.ica.2013.09.039","","","0.71073","MoKα","","0.0498","0.0366","","","0.0783","0.0824","","","","","","0.991","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544049","7.022","0.0014","9.225","0.0018","14.212","0.003","74.46","0.03","85.99","0.03","80.87","0.03","875.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 Ag Cu5 N14 O28 -","- C20 H8 Ag Cu5 N14 O28 -","- C20 H8 Ag Cu5 N14 O28 -","1","0.5","","Ya-Guang Sun; Xin Gao; Gang Xiong; Wen-Hui Zong; Fu Ding; Zhen-He Xu; Shu-Ju Wang; Li-Xin You; Bao-Yi Ren; En-Jun Gao","Four 3d-4d heterometallic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylate: Synthesis, structures, and magnetic properties","Inorganica Chimica Acta","2014","","","497","502","10.1016/j.ica.2013.09.039","","","0.71073","MoKα","","0.0732","0.0588","","","0.1538","0.1644","","","","","","1.076","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544050","6.8224","0.0005","21.8495","0.0015","7.2677","0.0006","90","","92.233","0.002","90","","1082.54","0.14","294","2","294","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C8 H10 O7 Sr -","- C8 H10 O7 Sr -","- C32 H40 O28 Sr4 -","4","1","","Mohamed Ghazzali; Miftahul Khair; Khalid Al-Farhan; Jan Reedijk","Synthesis, structure and characterisation of (mu-aqua)(diaqua)(mu3-benzene-dicarboxylate-ketaO1,O2)strontium(II) coordination polymer","Inorganica Chimica Acta","2014","","","503","506","10.1016/j.ica.2013.09.041","","","0.71075","MoKα","","0.1052","0.0731","","","0.1731","0.1951","","","","","","1.038","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544051","19.665","0.0018","5.9143","0.0007","20.995","0.002","90","","98.71","0.001","90","","2413.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Cd N4 O5 -","- C25 H26 Cd N4 O5 -","- C100 H104 Cd4 N16 O20 -","4","1","","Yan Zhang; Wenping Luo; Dongju Liu; Yan Xu; Shun-Li Li; Jingfu Li; Yong Wu; Yaoming Zhou; Min Fang; Hong-Ke Liu","Structures and photoluminescence properties of two cadmium(II) coordination polymers synthesized by flexible and rigid ligands","Inorganica Chimica Acta","2014","","","512","517","10.1016/j.ica.2013.09.043","","","0.71073","MoKα","","0.1097","0.0717","","","0.1854","0.2255","","","","","","1.017","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544052","9.075","0.004","22.923","0.01","21.197","0.009","90","","90","","90","","4410","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Cd2 N6 O11 -","- C43 H41 Cd2 N6 O11 -","- C172 H164 Cd8 N24 O44 -","4","1","","Yan Zhang; Wenping Luo; Dongju Liu; Yan Xu; Shun-Li Li; Jingfu Li; Yong Wu; Yaoming Zhou; Min Fang; Hong-Ke Liu","Structures and photoluminescence properties of two cadmium(II) coordination polymers synthesized by flexible and rigid ligands","Inorganica Chimica Acta","2014","","","512","517","10.1016/j.ica.2013.09.043","","","0.71073","MoKα","","0.1218","0.0809","","","0.2185","0.2326","","","","","","1.048","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544053","9.17","0.005","9.537","0.005","13.656","0.005","79.761","0.005","88.39","0.005","80.5","0.005","1159.1","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H46 Cu2 N6 O6 -","- C52 H46 Cu2 N6 O6 -","- C52 H46 Cu2 N6 O6 -","1","0.5","","Rakesh Kumar Gupta; Rampal Pandey; Amit Kumar; K.V. Ramanujachary; Samuel E. Lofland; Daya Shankar Pandey","Structural diversity in heteroleptic dipyrrinato copper(II) complexes","Inorganica Chimica Acta","2014","","","518","527","10.1016/j.ica.2013.09.044","","","0.71073","MoKα","","0.0594","0.0526","","","0.1383","0.1432","","","","","","1.157","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544054","9.4308","0.0004","12.422","0.0005","21.3888","0.0009","92.411","0.003","96.553","0.004","98.142","0.003","2459.9","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H34 Cu2 F12 N6 O6 -","- C52 H34 Cu2 F12 N6 O6 -","- C104 H68 Cu4 F24 N12 O12 -","2","1","","Rakesh Kumar Gupta; Rampal Pandey; Amit Kumar; K.V. Ramanujachary; Samuel E. Lofland; Daya Shankar Pandey","Structural diversity in heteroleptic dipyrrinato copper(II) complexes","Inorganica Chimica Acta","2014","","","518","527","10.1016/j.ica.2013.09.044","","","0.71073","MoKα","","0.0694","0.0476","","","0.1201","0.1256","","","","","","0.938","","","","has coordinates,has disorder","211137","2020-10-21","18:00:00",""
"1544055","8.8013","0.0018","24.965","0.005","22.396","0.005","90","","91.65","0.03","90","","4918.9","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 Cu3 N4 O10 -","- C50 H50 Cu3 N4 O10 -","- C200 H200 Cu12 N16 O40 -","4","1","","Rakesh Kumar Gupta; Rampal Pandey; Amit Kumar; K.V. Ramanujachary; Samuel E. Lofland; Daya Shankar Pandey","Structural diversity in heteroleptic dipyrrinato copper(II) complexes","Inorganica Chimica Acta","2014","","","518","527","10.1016/j.ica.2013.09.044","","","0.71073","MoKα","","0.1298","0.0835","","","0.2375","0.231","","","","","","1.076","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544056","7.112","0.0015","13.516","0.003","19.323","0.005","90","","100.67","0.03","90","","1825.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cu N2 O3 -","- C20 H18 Cu N2 O3 -","- C80 H72 Cu4 N8 O12 -","4","1","","Rakesh Kumar Gupta; Rampal Pandey; Amit Kumar; K.V. Ramanujachary; Samuel E. Lofland; Daya Shankar Pandey","Structural diversity in heteroleptic dipyrrinato copper(II) complexes","Inorganica Chimica Acta","2014","","","518","527","10.1016/j.ica.2013.09.044","","","0.71073","MoKα","","0.0812","0.0728","","","0.2039","0.2079","","","","","","1.091","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544057","9.5444","0.0001","20.5956","0.0003","6.7449","0.0001","90","","91.819","0.001","90","","1325.19","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N6 O12 Pb2 -","- C22 H20 N6 O12 Pb2 -","- C44 H40 N12 O24 Pb4 -","2","0.5","","Apurba Bhunia; Ennio Zangrando; Soumen Mistri; Subal Chandra Manna","Oxalato-bridged oligonuclear complexes of cadmium(II)/lead(II) with bipyridine coligands: Synthesis, crystal structure, electronic spectra, density functional theory calculation and effect of organic compounds on the fluorescence property","Inorganica Chimica Acta","2014","","","528","537","10.1016/j.ica.2013.10.001","","","0.71073","MoKα","","0.0337","0.0298","","","0.0698","0.0718","","","","","","1.13","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544058","14.3047","0.001","9.6601","0.0004","22.0345","0.0015","90","","94.006","0.007","90","","3037.4","0.3","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C54 H40 Cd3 Cl2 N10 O16 -","- C54 H40 Cd3 Cl2 N10 O16 -","- C108 H80 Cd6 Cl4 N20 O32 -","2","0.5","","Apurba Bhunia; Ennio Zangrando; Soumen Mistri; Subal Chandra Manna","Oxalato-bridged oligonuclear complexes of cadmium(II)/lead(II) with bipyridine coligands: Synthesis, crystal structure, electronic spectra, density functional theory calculation and effect of organic compounds on the fluorescence property","Inorganica Chimica Acta","2014","","","528","537","10.1016/j.ica.2013.10.001","","","1.5418","CuKα","","0.1175","0.0719","","","0.2121","0.2603","","","","","","0.988","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544466","3.05991","0.00004","3.05991","0.00004","71.454","0.001","90","","90","","120","","579.395","0.013","","","","","","","","","","","","4","R -3 m","-P 6c 2c","194","Si1.1Al7.9O1.9N8.1 27R-SiAlON","","","- Al7.9 N8.1 O1.9 Si1.1 -","- Al5.26933 N5.4 O1.26667 Si0.732 -","- Al15.808 N16.2 O3.8 Si2.196 -","3","","","Banno, H.; Asaka, T.; Fukuda, K.","Electron density distribution and crystal structure of 27R-SiAlON, Si3-xAl6+xOxN10-x (x~1.9)","Journal of the Ceramic Society of Japan","2014","122","","281","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","187811","2020-10-21","18:00:00",""
"1544625","15.929","0.0002","15.929","0.0002","7.183","0.0001","90","","90","","120","","1578.39","0.04","","","","","","","","","","","","7","R 3 m :H","R 3 -2""","160","CaFe3Al6(Si5Al)18)(BO3)3(OH)3(OH) adachiite","","adachiite","- Al7 B3 Ca Fe3 H4 O31 Si5 -","- B3 H4 O31 T6 X Y3 Z6 -","- B9 H12 O93 T18 X3 Y9 Z18 -","3","0.166667","","Nishio-Hamane, D.; Minakawa, T.; Yamaura, J.-I.; Oyama, T.; Ohnishi, M.; Shimobayashi, N.","Adachiite, a Si-poor member of the tourmaline supergroup from the Kiura mine, Oita Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2014","109","","74","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","208816","2020-10-21","18:00:00",""
"1544639","5.3546","0.0016","15.249","0.0005","7.094","0.002","90","","90","","90","","579.2","0.2","","","","","","","","","","","","5","C m c m","-C 2c 2","63","Ba0.97Sr0.03VSi2O7","","suzukiite","- Ba0.97 O7 Si2 Sr0.03 V -","- Ba1.94 O14 Si4 Sr0.06 V2 -","- Ba3.88 O28 Si8 Sr0.12 V4 -","2","0.125","","Ito, M.; Yokoyama, K.; Momma, K.; Miyawaki, R.; Nakai, I.; Kato, A.","Crystal structure of suzukiite from the Mogurazawa mine, Gunma Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2014","109","","222","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","188591","2020-10-21","18:00:00",""
"1544640","8.8134","0.0016","8.3108","0.0019","11.0183","0.0018","90","","110.418","0.005","90","","756.3","0.3","","","223.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","CaCO36H2O at -50 ?C","","ikaite at -50 ?C","- C H12 Ca O9 -","- C H12 Ca O9 -","- C4 H48 Ca4 O36 -","4","0.5","","Tateno, N.; Kyono, A.","Structural change induced by dehydration in ikaite (CaCO3H2O) : Sample at -50 C","Journal of Mineralogical and Petrological Sciences","2014","109","","157","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","190912","2020-10-21","18:00:00",""
"1544641","8.819","0.002","8.308","0.003","11.0121","0.0003","90","","110.432","0.007","90","","756.1","0.3","","","233.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","CaCO36H2O at -40 ?C","","ikaite at -40 ?C","- C H12 Ca O9 -","- C H12 Ca O9 -","- C4 H48 Ca4 O36 -","4","0.5","","Tateno, N.; Kyono, A.","Structural change induced by dehydration in ikaite (CaCO3H2O) : Sample at -40 C","Journal of Mineralogical and Petrological Sciences","2014","109","","157","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","190913","2020-10-21","18:00:00",""
"1544642","8.826","0.002","8.315","0.003","11.026","0.003","90","","110.434","0.007","90","","758.3","0.4","","","243.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","CaCO36H2O at -30 ?C","","ikaite at -30 ?C","- C H12 Ca O9 -","- C H12 Ca O9 -","- C4 H48 Ca4 O36 -","4","0.5","","Tateno, N.; Kyono, A.","Structural change induced by dehydration in ikaite (CaCO3H2O) : Sample at -30 C","Journal of Mineralogical and Petrological Sciences","2014","109","","157","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","190914","2020-10-21","18:00:00",""
"1544643","8.878","0.007","8.362","0.007","11.088","0.008","90","","110.492","0.015","90","","771.1","1","","","263.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","CaCO36H2O at -10 ?C","","ikaite at -10 ?C","- C H12 Ca O9 -","- C H12 Ca O9 -","- C4 H48 Ca4 O36 -","4","0.5","","Tateno, N.; Kyono, A.","Structural change induced by dehydration in ikaite (CaCO3H2O) : Sample at -10 C","Journal of Mineralogical and Petrological Sciences","2014","109","","157","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","190915","2020-10-21","18:00:00",""
"1544860","6.527","0.006","8.656","0.009","5.519","0.005","99.09","0.08","104.14","0.07","91.48","0.08","297.9","0.5","","","","","","","","","","","","13","P -1","-P 1","2","Y4(Mg,Fe)(Si2O7)2F2","","magnesiorowlandite-(Y)","- Ce0.14 Dy0.22 Er0.07 F2.03 Fe0.35 Gd0.21 Mg0.58 Nd0.24 O13.97 Si4 Sm0.14 Y2.71 Yb0.09 -","- F2 Fe0.4 Mg0.6 O14 Si4 Y2.6 Yb1.4 -","- F2 Fe0.4 Mg0.6 O14 Si4 Y2.6 Yb1.4 -","1","0.5","","Matsubara, S.; Miyawaki, R.; Yokoyama, K.; Shigeoka, M.; Momma, K.; Yamamoto, S.","Magnesiorowlandite-(Y), Y4(Mg,Fe)(Si2O7)2F2, a new mineral in a pegmatite at Souri Valley, Komono, Mie Prefecture, central Japan","Journal of Mineralogical and Petrological Sciences","2014","109","","109","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","189372","2020-10-21","18:00:00",""
"1544910","5.5406","0.0006","5.5406","0.0006","5.34","0.001","90","","90","","120","","141.97","0.03","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","SrBi2O6","","SrBi2O6","- Bi2 O6 Sr -","- Bi2 O6 Sr -","- Bi2 O6 Sr -","1","0.0833333","","Kumada, N.; Miura, A.; Takei, T.; Yashima, M.","Crystal structures of a pentavalent bismuthate, SrBi2O6 and a lead bismuth oxide (Pb1/3Bi2/3)O1.4","Journal of Asian Ceramic Societies","2014","2","","150","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","189474","2020-10-21","18:00:00",""
"1544911","5.532","0.001","5.532","0.001","5.532","0.001","90","","90","","90","","169.3","0.05","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Pb1/3Bi2/3O1.4","","Pb1/3Bi2/3O1.4","- Bi0.667 O1.4 Pb0.333 -","- Bi0.6667 O1.36 Pb0.3333 -","- Bi2.6668 O5.44 Pb1.3332 -","4","0.0208333","","Kumada, N.; Miura, A.; Takei, T.; Yashima, M.","Crystal structures of a pentavalent bismuthate, SrBi2O6 and a lead bismuth oxide (Pb1/3Bi2/3)O1.4","Journal of Asian Ceramic Societies","2014","2","","150","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","189475","2020-10-21","18:00:00",""
"1545032","8.09657","0.00014","8.09657","0.00014","8.09657","0.00014","90","","90","","90","","530.766","0.016","","","","","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","hydrous ringwoodite","","hydrous ringwoodite","- D0.34 Fe0.17 Mg1.72 O4 Si0.97 -","- D0.3396 Fe0.17 Mg1.7196 O4 Si0.9702 -","- D2.7168 Fe1.36 Mg13.7568 O32 Si7.7616 -","8","","","Purevjav, N.; Okuchi, T.; Tomioka, N.; Abe, J.; Harjo, S.","Hydrogen site analysis of hydrous ringwoodite in mantle transition zone by pulsed neutron diffraction","Geophysical Research Letters","2014","41","","6718","6724","","","","","","","","","","","","","","","","","","","","","","has coordinates","190464","2020-10-21","18:00:00",""
"1545152","8.826","0.002","8.313","0.003","11.023","0.003","90","","110.423","0.007","90","","757.9","0.4","","","253.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","CaCO36H2O at -20 C","","ikaite at -20 C","- C H12 Ca O9 -","- C H12 Ca O9 -","- C4 H48 Ca4 O36 -","4","0.5","","Tateno, N.; Kyono, A.","Structural change induced by dehydration in ikaite (CaCO3H2O) : Sample at -20 C","Journal of Mineralogical and Petrological Sciences","2014","109","","157","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","190916","2020-10-21","18:00:00",""
"1547472","5.05","","6.92","","4.82","","90","","90","","90","","168.44","","","","","","","","","","","","Tenham L6 Chondrite;","7","P n m a","-P 2ac 2n","62","","","Bridgmanite","- Ca0.08 Fe1.6 Mg2.8 Mn0.04 Na0.12 O12 Si3.6 -","- Ca0.08 Fe1.6 Mg2.8 Mn0.04 Na0.12 O12 Si3.6 -","- Ca0.08 Fe1.6 Mg2.8 Mn0.04 Na0.12 O12 Si3.6 -","1","0.125","","Oliver Tschauner; Chi Ma; John R. Beckett; Clemens Prescher; Vitali B. Prakapenka; George R. Rossman","Bridgmanite - the most abundant mineral in Earth discovered in the Tenham L6 Chondrite","Science","2014","346","","1100","1102","10.1126/science.1259369","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1547473","16.0174","0.0007","10.8674","0.0005","20.309","0.0009","90","","104.291","0.003","90","","3425.7","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 N3 O4 Ru -","- C37 H51 N3 O4 Ru -","- C148 H204 N12 O16 Ru4 -","4","1","","Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.","Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands","Chemical Science","2014","5","","4091","4098","10.1039/C4SC01541J","","","0.71073","MoKα","","0.084","0.0433","","","0.0798","0.0897","","","","","","1.195","","","","has coordinates,has disorder","201503","2020-10-21","18:00:00",""
"1547474","10.8243","0.0008","11.4812","0.001","15.4419","0.0013","74.516","0.003","85.839","0.003","64.889","0.003","1672.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H49 N3 O4 Ru -","- C37 H49 N3 O4 Ru -","- C74 H98 N6 O8 Ru2 -","2","1","","Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.","Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands","Chemical Science","2014","5","","4091","4098","10.1039/C4SC01541J","","","0.71073","MoKα","","0.0995","0.0466","","","0.0709","0.0822","","","","","","0.744","","","","has coordinates","201504","2020-10-21","18:00:00",""
"1547475","10.8191","0.0009","11.4795","0.001","15.4551","0.0013","74.51","0.003","85.583","0.003","64.732","0.003","1671.3","0.3","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H49 N3 O4 Ru -","- C37 H49 N3 O4 Ru -","- C74 H98 N6 O8 Ru2 -","2","1","","Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.","Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands","Chemical Science","2014","5","","4091","4098","10.1039/C4SC01541J","","","0.71073","MoKα","","0.0772","0.0538","","","0.1048","0.1106","","","","","","1.871","","","","has coordinates","201505","2020-10-21","18:00:00",""
"1547476","10.5222","0.0008","19.595","0.0015","15.8493","0.0012","90","","99.34","0.002","90","","3224.5","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H47 N3 O4 Ru -","- C35 H47 N3 O4 Ru -","- C140 H188 N12 O16 Ru4 -","4","1","","Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.","Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands","Chemical Science","2014","5","","4091","4098","10.1039/C4SC01541J","","","0.71073","MoKα","","0.0653","0.0362","","","0.0705","0.0782","","","","","","1.159","","","","has coordinates,has disorder","201506","2020-10-21","18:00:00",""
"1547477","10.5807","0.0005","11.4363","0.0006","18.2848","0.0009","77.754","0.002","78.1","0.002","63.815","0.002","1924.23","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H61 N3 O5 Ru -","- C41 H61 N3 O5 Ru -","- C82 H122 N6 O10 Ru2 -","2","1","","Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H.","Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands","Chemical Science","2014","5","","4091","4098","10.1039/C4SC01541J","","","0.71073","MoKα","","0.0642","0.0377","","","0.0731","0.0802","","","","","","1.151","","","","has coordinates","201507","2020-10-21","18:00:00",""
"1547478","14.24","0.007","14.263","0.007","14.821","0.007","90","","90","","90","","3010","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H18 Fe2 N5 O3 S2 -","- C9 H18 Fe2 N5 O3 S2 -","- C72 H144 Fe16 N40 O24 S16 -","8","1","","Hsieh, Chung-Hung; Ding, Shengda; Erdem, Ozlen F.; Crouthers, Danielle J.; Liu, Tianbiao; McCrory, Charles C. L.; Lubitz, Wolfgang; Popescu, Codrina V.; Reibenspies, Joseph H.; Hall, Michael B.; Darenbourg, Marcetta Y.","Redox active iron nitrosyl units in proton reduction electrocatalysis","Nature Communications","2014","5","","3684","","10.1038/ncomms4684","","","0.71073","MoKα","","0.0405","0.0295","","","0.0671","0.0729","","","","","","1.026","","","","has coordinates","201508","2020-10-21","18:00:00",""
"1548296","10.165","0.006","7.482","0.004","10.278","0.006","90","","110.446","0.009","90","","732.4","0.7","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H24 B2 O4 -","- C12 H24 B2 O4 -","- C24 H48 B4 O8 -","2","0.5","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0817","0.0551","","","0.1161","0.1299","","","","","","1.086","","","","has coordinates,has disorder","203758","2020-10-21","18:00:00",""
"1548297","9.859","0.004","18.123","0.007","13.451","0.005","90","","110.728","0.005","90","","2247.8","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 B2 O2 -","- C24 H34 B2 O2 -","- C96 H136 B8 O8 -","4","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0868","0.061","","","0.1325","0.1545","","","","","","1.088","","","","has coordinates,has disorder","203759","2020-10-21","18:00:00",""
"1548298","15.238","0.005","10.705","0.004","16.004","0.006","90","","107.762","0.005","90","","2486.2","1.5","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 B2 O4 -","- C26 H34 B2 O4 -","- C104 H136 B8 O16 -","4","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0871","0.0648","","","0.145","0.1631","","","","","","1.208","","","","has coordinates","203760","2020-10-21","18:00:00",""
"1548299","9.278","0.003","10.2","0.003","16.057","0.005","71.907","0.012","83.574","0.015","68.113","0.012","1340.3","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H43 B2 N O2 -","- C29 H43 B2 N O2 -","- C58 H86 B4 N2 O4 -","2","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0976","0.0659","","","0.1219","0.1346","","","","","","1.046","","","","has coordinates","203761","2020-10-21","18:00:00",""
"1548300","12.796","0.004","18.047","0.005","15.325","0.005","90","","110.858","0.004","90","","3307.1","1.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 B2 N2 O2 -","- C34 H52 B2 N2 O2 -","- C136 H208 B8 N8 O8 -","4","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.0899","0.0635","","","0.123","0.1367","","","","","","1.088","","","","has coordinates","203763","2020-10-21","18:00:00",""
"1548301","13.923","0.006","15.76","0.006","15.026","0.005","90","","92.731","0.009","90","","3293","2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 B2 N2 O2 -","- C34 H52 B2 N2 O2 -","- C136 H208 B8 N8 O8 -","4","1","","Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita","Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent","Nature Communications","2014","5","","4245","","10.1038/ncomms5245","","","0.71075","MoKα","","0.1204","0.0743","","","0.1687","0.1986","","","","","","1.035","","","","has coordinates","203764","2020-10-21","18:00:00",""
"1548310","6.9186","0.0002","6.9186","0.0002","7.9061","0.0003","90","","90","","90","","378.44","0.02","298","","298","","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C8 H8 Cu F6 N4 Si -","- C8 H8 Cu F6 N4 Si -","- C8 H8 Cu F6 N4 Si -","1","0.0625","","Shekhah, Osama; Belmabkhout, Youssef; Chen, Zhijie; Guillerm, Vincent; Cairns, Amy; Adil, Karim; Eddaoudi, Mohamed","Made-to-order metal-organic frameworks for trace carbon dioxide removal and air capture","Nature Communications","2014","5","","4228","","10.1038/ncomms5228","powder diffraction","","1.5418","CuKα","","","","","","","","","5.1628","20.7","","","","","","","has coordinates","210525","2020-10-21","18:00:00",""
"1548311","23.7146","0.0012","23.7146","0.0012","19.1834","0.0011","90","","90","","120","","9343","0.9","150","2","150","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C9 H56 K Mo10 N O42 S10 -","- C9 K1.00333 Mo10 N0.996667 O41.6867 S10 -","- C54 K6.02 Mo60 N5.98 O250.12 S60 -","6","0.5","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0292","0.0247","","","0.071","0.075","","","","","","1.079","","","","has coordinates","203774","2020-10-21","18:00:00",""
"1548312","11.2207","0.0003","22.4613","0.0008","16.9237","0.0006","90","","105.662","0.001","90","","4106.9","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H32 K10 Mo14 O80 S2 -","- C26 K10 Mo14 O80 S2 -","- C52 K20 Mo28 O160 S4 -","2","1","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0195","0.0191","","","0.0515","0.0517","","","","","","1.034","","","","has coordinates","203775","2020-10-21","18:00:00",""
"1548313","20.8518","0.0005","28.0652","0.0006","32.415","0.0008","90","","104.793","0.001","90","","18340.8","0.7","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C56 H236 K18 Mo60 N4 O261 S36 -","- C55 K15.2 Mo60 N4 O241.7 S36 -","- C110 K30.4 Mo120 N8 O483.4 S72 -","2","0.5","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0783","0.0507","","","0.1351","0.1562","","","","","","1.056","","","","has coordinates","203776","2020-10-21","18:00:00",""
"1548314","26.0429","0.0007","29.3416","0.0008","47.0393","0.0013","90","","90.04","0.002","90","","35944.6","1.7","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36 H246 I K11.5 Mo48 N3 Na0.5 O220 S36 -","- C32.5 I K10 Mo48 N3 O218.8 S36 -","- C130 I4 K40 Mo192 N12 O875.2 S144 -","4","1","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.0821","0.0544","","","0.1398","0.1623","","","","","","1.039","","","","has coordinates","203777","2020-10-21","18:00:00",""
"1548315","26.515","0.002","44.264","0.003","17.7362","0.0014","90","","90","","90","","20816","3","150","2","150","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H126 K14 Mo34 O148 S24 -","- C20 K13.6 Mo34 O147.01 S24 -","- C80 K54.4 Mo136 O588.04 S96 -","4","0.5","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.1338","0.1173","","","0.2478","0.2556","","","","","","1.223","","","","has coordinates","203778","2020-10-21","18:00:00",""
"1548316","30.5759","0.0009","17.0735","0.0005","38.4463","0.0012","90","","113.034","0.002","90","","18470.3","1","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C61 H141 K8 Mo18 N7 O99 S18 -","- C47.3 K8 Mo18 N4 O98.9 S18 -","- C189.2 K32 Mo72 N16 O395.6 S72 -","4","1","","Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin","Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine","Nature Communications","2014","5","","3715","","10.1038/ncomms4715","","","0.71073","MoKα","","0.1126","0.0711","","","0.1831","0.2152","","","","","","1.029","","","","has coordinates","203779","2020-10-21","18:00:00",""
"1548319","36.2479","0.001","36.2479","0.001","17.0202","0.0005","90","","90","","120","","19366.9","0.9","198","","198","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C32.33 H61.67 Cl2 Mo N2 O2.33 P2 -","- C31 H43 Cl2 Mo N2 O3.3334 P2 -","- C558 H774 Cl36 Mo18 N36 O60.0012 P36 -","18","1","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.079","","","","0.1725","","","","","","1","","","","has coordinates","203782","2020-10-21","18:00:00",""
"1548320","16.3159","0.0005","16.3159","0.0005","19.6989","0.0005","90","","90","","120","","4541.5","0.2","198","","198","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H44.33 Cl Mo N2 P2 -","- C24.3332 H43 Cl Mo N2 P2 -","- C145.999 H258 Cl6 Mo6 N12 P12 -","6","0.5","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.1103","","","","0.2165","","","","","","1","","","","has coordinates","203783","2020-10-21","18:00:00",""
"1548321","33.3044","0.0007","15.2043","0.0003","13.0074","0.0003","90","","109.784","0.0007","90","","6197.8","0.2","183","","183","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C24 H43 Cl F3 Mo N2 O3 P2 S -","- C24 H43 Cl F3 Mo N2 O3 P2 S -","- C192 H344 Cl8 F24 Mo8 N16 O24 P16 S8 -","8","1","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.0516","","","","0.105","","","","","","1.029","","","","has coordinates","203784","2020-10-21","18:00:00",""
"1548322","16.4904","0.0004","16.7621","0.0003","16.772","0.0004","90","","119.077","0.0007","90","","4051.71","0.16","198","","198","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 Cl F3 Mo N3 O4 P2 S -","- C33 H57 Cl F3 Mo N3 O4 P2 S -","- C132 H228 Cl4 F12 Mo4 N12 O16 P8 S4 -","4","1","","Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi","Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia","Nature Communications","2014","5","","3737","","10.1038/ncomms4737","","","0.71075","MoKα","","","0.0449","","","","0.0718","","","","","","1","","","","has coordinates","203785","2020-10-21","18:00:00",""
"1548356","13.90384","0.00058","8.58701","0.00036","8.82875","0.00045","90","","97.8549","0.0031","90","","1044.2","0.08","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","Doripenem dihydrate","","","- C15 H28 N4 O8 S2 -","- C15 H24 N4 O8 S2 -","- C30 H48 N8 O16 S4 -","2","1","","Valentina Colombo; Norberto Masciocchi; Giovanni Palmisano","Crystal Chemistry of the Antibiotic Doripenem","Journal of Pharmaceutical Sciences","2014","103","","3641","3647","10.1002/jps.24166","powder diffraction","","","CuKα","","","","","","","","","","14.4","","","","","","","has coordinates","203868","2020-10-21","18:00:00",""
"1548357","11.37522","0.00034","8.61856","0.00027","10.00122","0.00029","90","","100.369","0.0019","90","","964.49","0.05","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","Doripenem monohydrate","","","- C15 H26 N4 O7 S2 -","- C15 H24 N4 O7 S2 -","- C30 H48 N8 O14 S4 -","2","1","","Valentina Colombo; Norberto Masciocchi; Giovanni Palmisano","Crystal Chemistry of the Antibiotic Doripenem","Journal of Pharmaceutical Sciences","2014","103","","3641","3647","10.1002/jps.24166","powder diffraction","","","CuKα","","","","","","","","","","12.9","","","","","","","has coordinates","203869","2020-10-21","18:00:00",""
"1548526","13.9256","0.0019","13.8434","0.0014","35.2","0.002","90","","96.614","0.01","90","","6740.6","1.2","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H102 Fe2 N9 -","- C78 H102 Fe2 N9 -","- C312 H408 Fe8 N36 -","4","1","","Ming Li; W. Robert Scheidt","Structural characterization of the mu-Nitrido Complex {[Fe(OEP)]2N}","Journal of Porphyrins and Phthalocyanines","2014","18","","380","384","10.1142/S1088424614500096","","","0.71073","MoKα","","0.0954","0.0664","","","0.1656","0.1812","","","","","","1.031","","","","has coordinates","204445","2020-10-21","18:00:00",""
"1548645","7.505","0.0007","7.4836","0.001","13.4301","0.0017","106.488","0.006","90.485","0.007","102.759","0.008","703.37","0.15","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 Cl N4 O -","- C15 H9 Cl N4 O -","- C30 H18 Cl2 N8 O2 -","2","1","","Mabied, Ahmed F.; Shalaby, Elsayed M.; Zayed, Hamdia A.; El-Kholy, Esmat; Farag, Ibrahim S. A.; Ahmed, Naima A.","Crystal Structure and Stereochemistry Study of 2-Substituted Benzoxazole Derivatives","ISRN Organic Chemistry","2014","2014","","1","7","10.1155/2014/728343","","","0.71073","MoKα","","0.1498","0.0712","","0.1238","0.0957","0.0696","","","","","","1.1267","","","","has coordinates","210523","2020-10-21","18:00:00",""
"1548646","7.4919","0.0005","13.0828","0.0009","14.1914","0.0014","94.355","0.003","101.18","0.003","102.504","0.006","1322.07","0.19","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H10 N2 O3 -","- C17 H10 N2 O3 -","- C68 H40 N8 O12 -","4","2","","Mabied, Ahmed F.; Shalaby, Elsayed M.; Zayed, Hamdia A.; El-Kholy, Esmat; Farag, Ibrahim S. A.; Ahmed, Naima A.","Crystal Structure and Stereochemistry Study of 2-Substituted Benzoxazole Derivatives","ISRN Organic Chemistry","2014","2014","","1","7","10.1155/2014/728343","","","0.71073","MoKα","","0.2095","0.0886","","0.2491","0.1817","0.1547","","","","","","0.9715","","","","has coordinates","210523","2020-10-21","18:00:00",""
"1548717","17.2306","0.0002","9.8239","0.0001","9.2892","0.0001","90","","90","","90","","1572.4","0.03","298","","298","","","","","","","","","4","C c c m","-C 2 2c","66","","","","- Al4 Fe2 O18 Si5 -","- Al4 Fe2 O18 Si5 -","- Al16 Fe8 O72 Si20 -","4","0.25","","Udo Haefeker; Reinhard Kaindl; Peter Tropper; Hannes Kruger; Volker Kahlenberg; Maria Orlova","Structural investigations of the two polymorphs of synthetic Fe-cordierite and Raman spectroscopy of hexagonal Fe-cordierite","Mineralogy and Petrology","2014","108","","469","478","10.1007/s00710-013-0313-3","","x-ray","0.71073","MoKα","","0.0497","0.0448","","","0.0471","0.0478","","","","2.95","2.95","2.89","","","","has coordinates","205363","2020-10-21","18:00:00",""
"1548718","9.8801","0.0006","9.8801","0.0006","9.2852","0.0005","90","","90","","120","","784.95","0.08","298","","298","","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- Al4 Fe2 O18 Si5 -","- Al4.0002 Fe2 O18 Si4.9998 -","- Al8.0004 Fe4 O36 Si9.9996 -","2","0.0833333","","Udo Haefeker; Reinhard Kaindl; Peter Tropper; Hannes Kruger; Volker Kahlenberg; Maria Orlova","Structural investigations of the two polymorphs of synthetic Fe-cordierite and Raman spectroscopy of hexagonal Fe-cordierite","Mineralogy and Petrology","2014","108","","469","478","10.1007/s00710-013-0313-3","","x-ray","0.71073","MoKα","","0.0335","0.0314","","","0.0451","0.0457","","","","3.69","3.69","3.66","","","","has coordinates","205364","2020-10-21","18:00:00",""
"1549534","7.7256","0.0007","11.1036","0.0007","11.1198","0.0008","98.72","0.007","108.246","0.009","95.559","0.007","884.8","0.13","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H21 Cu1.5 N O13 -","- C13 H21 Cu1.5 N O13 -","- C26 H42 Cu3 N2 O26 -","2","1","","Köferstein, Roberto; Robl, Christian","Synthesis and Crystal Structure of Two CuII-benzene-1,2,4,5-tetracarboxylates with Three-Dimensional Open Frameworks","Zeitschrift für anorganische und allgemeine Chemie","2014","640","2","310","","10.1002/zaac.201300527","","","","","","0.031","0.026","","","","","","","","","","","","","","has coordinates","208276","2020-10-21","18:00:00",""
"1549535","11.5934","0.0011","10.5944","0.0007","15.822","0.002","90","","106.13","0.011","90","","1866.8","0.3","","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C13 H18 Cu2 N O12 -","- C13 H18 Cu2 N O12 -","- C52 H72 Cu8 N4 O48 -","4","1","","Köferstein, Roberto; Robl, Christian","Synthesis and Crystal Structure of Two CuII-benzene-1,2,4,5-tetracarboxylates with Three-Dimensional Open Frameworks","Zeitschrift für anorganische und allgemeine Chemie","2014","640","2","310","","10.1002/zaac.201300527","","","","","","0.042","0.033","","","","","","","","","","","","","","has coordinates","208277","2020-10-21","18:00:00",""
"1549539","10.575","0.002","11.66","0.002","15.767","0.002","106.08","0.01","90.73","0.02","94.05","0.01","1862.4","0.5","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H40 Cu4 N2 O23 -","- C29 H43 Cu4 N2 O23 -","- C58 H86 Cu8 N4 O46 -","2","1","","Köferstein, Roberto; Robl, Christian","Synthesis, Crystal Structure, Hydrogen Bonding, and Thermal Behavior of a Three-Dimensional CuII-benzene-1,2,4,5-tetracarboxylate Templated by 1,9-Diaminononane","Zeitschrift für anorganische und allgemeine Chemie","2014","640","10","1937","","10.1002/zaac.201400177","","","","","","0.054","0.045","","","","","","","","","","","","","","has coordinates","208310","2020-10-21","18:00:00",""
"1550517","10.082","","5.478","","2.495","","90","","90","","90","","137.797","","","","","","","","","","","","","3","C m m m","-C 2 2","65","FeSiO3","","post-perovskite II of FeSiO3","- Fe O3 Si -","- Fe O3 Si -","- Fe4 O12 Si4 -","4","0.25","","Cohen, R.E.; Lin, Y.","Prediction of a potential high-pressure structure of FeSiO3","Physical Review B","2014","90","","140102","140104","","","","","","","","","","","","","","","","","","","","","","has coordinates","213279","2020-10-21","18:00:00",""
"1551373","19.3322","0.0008","19.3322","0.0008","28.9191","0.0013","90","","90","","120","","9360","0.7","100","2","100","","","","","","","","","4","R 3 :H","R 3","146","","1,5,10-(1,8)trianthracena-2,4,5,8,9,11-hexaoxa-3,7(1,3,5)ditriazinabicyclo[3.3.3]undecaphane","","- C168 H88 N26 O18 -","- C168.001 H88.0008 N26.0004 O18 -","- C504.004 H264.002 N78.0012 O54 -","3","0.333333","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","x-ray","0.71073","MoKα","","0.0641","0.0563","","","0.1491","0.1568","","","","","","1.034","","","","has coordinates,has disorder","215891","2020-10-21","18:00:00",""
"1551374","19.3695","0.0004","19.3695","0.0004","28.9712","0.001","90","","90","","120","","9413.1","0.4","115","2","115","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C168 H88 N26 O18 -","- C168.12 H88.08 N26.04 O18 -","- C504.36 H264.24 N78.12 O54 -","3","0.333333","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","","0.71073","MoKα","","0.1237","0.0924","","","0.2541","0.2862","","","","","","1.046","","","","has coordinates,has disorder","215892","2020-10-21","18:00:00",""
"1551375","19.4976","0.0006","19.4976","0.0006","29.0508","0.0016","90","","90","","120","","9564.3","0.7","99.99","","99.99","","","","","","","","","4","R 3 :H","R 3","146","","poly(1,5,10-(1,8)trianthracena-2,4,5,8,9,11-hexaoxa-3,7(1,3,5)ditriazinabicyclo[3.3.3]undecaphane)","","- C168 H88 N26 O18 -","- C168.001 H88.0158 N26.0004 O18 -","- C504.004 H264.047 N78.0012 O54 -","3","0.333333","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","x-ray","1.54178","CuKα","","0.1256","0.0987","","","0.2715","0.3055","","","","","","1.165","","","","has coordinates,has disorder","215893","2020-10-21","18:00:00",""
"1551376","19.5973","0.0005","19.5973","0.0005","27.8613","0.001","90","","90","","120","","9266.7","0.5","100","2","100","","","","","","","","","4","P 31","P 31","144","","1,5,10-(1,8)trianthracena-2,4,5,8,9,11-hexaoxa-3,7(1,3,5)ditriazinabicyclo[3.3.3]undecaphane","","- C162 H84 N24 O18 -","- C162 H84 N24 O18 -","- C486 H252 N72 O54 -","3","1","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","x-ray","1.54178","CuKα","","0.1279","0.1104","","","0.2835","0.3059","","","","","","1.206","","","","has coordinates,has disorder","215894","2020-10-21","18:00:00",""
"1551377","19.4393","0.0005","19.4393","0.0005","28.547","0.002","90","","90","","120","","9342.3","0.7","115","2","115","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C168 H88 N26 O18 -","- C168.12 H88.08 N26.04 O18 -","- C504.36 H264.24 N78.12 O54 -","3","0.333333","","Max J. Kory; Michael Worle; Thomas Weber; Payam Payamyar; Stan W. van de Poll; Julia Dshemuchadse; Nils Trapp; Dieter Schluter","Gram-scale synthesis of two-dimensional polymer crystals and their structure analysis by X-ray diffraction","Nature Chemistry","2014","6","","779","784","10.1038/nchem.2007","","","0.71073","MoKα","","0.2333","0.1195","","","0.3079","0.3914","","","","","","1.107","","","","has coordinates,has disorder","215895","2020-10-21","18:00:00",""
"1551400","14.37","0.002","15.135","0.002","19.376","0.003","76.883","0.002","70.416","0.002","65.366","0.002","3590.2","0.9","167","2","167","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H53 B Cl4 F24 N3 P S2 -","- C68 H53 B Cl4 F24 N3 P S2 -","- C136 H106 B2 Cl8 F48 N6 P2 S4 -","2","1","","Scott E. Denmark; Eduard Hartmann; David J. P. Kornfilt; Hao Wang","Mechanistic, crystallographic, and computational studies on the catalytic, enantioselective sulfenofunctionalization of alkenes","Nature Chemistry","2014","6","","1056","1064","10.1038/nchem.2109","","","0.71073","MoKα","","0.1075","0.0746","","","0.2062","0.2315","","","","","","1.046","","","","has coordinates,has disorder","215930","2020-10-21","18:00:00",""
"1551401","12.005","0.0006","12.2783","0.0006","14.5779","0.0007","67.081","0.002","73.258","0.002","88.706","0.002","1885.47","0.16","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H76 Cl12 N6 O2 P2 Sb2 Se2 -","- C56 H60 Cl12 N6 P2 Sb2 Se2 -","- C56 H60 Cl12 N6 P2 Sb2 Se2 -","1","0.5","","Scott E. Denmark; Eduard Hartmann; David J. P. Kornfilt; Hao Wang","Mechanistic, crystallographic, and computational studies on the catalytic, enantioselective sulfenofunctionalization of alkenes","Nature Chemistry","2014","6","","1056","1064","10.1038/nchem.2109","","","1.54178","CuKα","","0.0315","0.03","","","0.0805","0.0816","","","","","","1.047","","","","has coordinates,has disorder","215931","2020-10-21","18:00:00",""
"1551450","9.5942","0.0014","27.26","0.004","12.3336","0.0018","90","","103.662","0.004","90","","3134.4","0.8","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 -","- C46 H30 -","- C184 H120 -","4","1","","Shane R. Yost; Jiye Lee; Mark W. B. Wilson; Tony Wu; David P. McMahon; Rebecca R. Parkhurst; Nicholas J. Thompson; Daniel N. Congreve; Akshay Rao; Kerr Johnson; Matthew Y. Sfeir; Moungi G. Bawendi; Timothy M. Swager; Richard H. Friend; Marc A. Baldo; Troy Van Voorhis","A transferable model for singlet-fission kinetics","Nature Chemistry","2014","6","","492","497","10.1038/nchem.1945","","","0.71073","MoKα","","0.0582","0.0461","","","0.1225","0.1314","","","","","","1.046","","","","has coordinates","216018","2020-10-21","18:00:00",""
"1551451","9.4146","0.0016","10.2146","0.0018","10.8759","0.0019","86.298","0.003","79.729","0.003","65.456","0.003","936.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H30 Cl4 S2 -","- C50 H30 Cl4 S2 -","- C50 H30 Cl4 S2 -","1","0.5","","Shane R. Yost; Jiye Lee; Mark W. B. Wilson; Tony Wu; David P. McMahon; Rebecca R. Parkhurst; Nicholas J. Thompson; Daniel N. Congreve; Akshay Rao; Kerr Johnson; Matthew Y. Sfeir; Moungi G. Bawendi; Timothy M. Swager; Richard H. Friend; Marc A. Baldo; Troy Van Voorhis","A transferable model for singlet-fission kinetics","Nature Chemistry","2014","6","","492","497","10.1038/nchem.1945","","","0.71073","MoKα","","0.0889","0.0492","","","0.1023","0.1177","","","","","","1.042","","","","has coordinates,has disorder","216019","2020-10-21","18:00:00",""
"1551452","14.8532","0.0014","17.3921","0.0015","7.2295","0.0007","90","","90.676","0.002","90","","1867.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 S2 -","- C26 H16 S2 -","- C104 H64 S8 -","4","1","","Shane R. Yost; Jiye Lee; Mark W. B. Wilson; Tony Wu; David P. McMahon; Rebecca R. Parkhurst; Nicholas J. Thompson; Daniel N. Congreve; Akshay Rao; Kerr Johnson; Matthew Y. Sfeir; Moungi G. Bawendi; Timothy M. Swager; Richard H. Friend; Marc A. Baldo; Troy Van Voorhis","A transferable model for singlet-fission kinetics","Nature Chemistry","2014","6","","492","497","10.1038/nchem.1945","","","0.71073","MoKα","","0.0628","0.0453","","","0.1199","0.1301","","","","","","1.046","","","","has coordinates,has disorder","216020","2020-10-21","18:00:00",""
"1551479","14.2786","0.0006","20.4647","0.0009","20.6937","0.0009","60.5","0.001","72.537","0.001","85.477","0.001","5003","0.4","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H14 F12 -","- C44 H14 F12 -","- C176 H56 F48 -","4","2","","Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King","A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization","Nature Chemistry","2014","6","","774","778","10.1038/nchem.2008","","","0.71073","MoKα","","0.0863","0.0587","","","0.167","0.1776","","","","","","1.076","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1551480","14.115","0.004","19.247","0.005","19.52","0.005","64.137","0.004","72.069","0.004","84.957","0.004","4533","2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C88 H28 F24 -","- C88 H28 F24 -","- C176 H56 F48 -","2","1","","Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King","A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization","Nature Chemistry","2014","6","","774","778","10.1038/nchem.2008","","","0.71073","MoKα","","0.2101","0.1037","","","0.2428","0.2737","","","","","","1.057","","","","has coordinates","216052","2020-10-21","18:00:00",""
"1551481","14.237","0.002","17.662","0.003","18.188","0.003","70.106","0.002","75.162","0.003","84.727","0.003","4157.1","1.1","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C88 H28 F24 -","- C88 H28 F24 -","- C176 H56 F48 -","2","1","","Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King","A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization","Nature Chemistry","2014","6","","774","778","10.1038/nchem.2008","","","0.71073","MoKα","","0.1675","0.0929","","","0.2547","0.2923","","","","","","1.035","","","","has coordinates","216053","2020-10-21","18:00:00",""
"1551482","9.014","0.002","14.577","0.003","15.651","0.004","94.34","0.003","93.101","0.004","96.984","0.004","2031.2","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H14 F12 -","- C44 H14 F12 -","- C88 H28 F24 -","2","1","","Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King","A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization","Nature Chemistry","2014","6","","774","778","10.1038/nchem.2008","","","0.71073","MoKα","","0.1629","0.0882","","","0.2433","0.2789","","","","","","1.012","","","","has coordinates","216054","2020-10-21","18:00:00",""
"1551488","19.934","0.004","10.691","0.002","29.55","0.007","90","","101.58","0.003","90","","6169","2","123","2","123","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C57 H33 F10 N6 O3 -","- C57 H33 F10 N6 O3 -","- C228 H132 F40 N24 O12 -","4","1","","Jackson D. Megiatto Jr; Dalvin D. Mendez-Hernandez; Marely E. Tejeda-Ferrari; Anne-Lucie Teillout; Manuel J. Llansola-Portoles; Gerdenis Kodis; Oleg G. Poluektov; Tijana Rajh; Vladimiro Mujica; Thomas L. Groy; Devens Gust; Thomas A. Moore; Ana L. Moore","A bioinspired redox relay that mimics radical interactions of the Tyr-His pairs of photosystem II","Nature Chemistry","2014","6","","423","428","10.1038/nchem.1862","","","0.71073","MoKα","","0.1501","0.0774","","","0.1946","0.2276","","","","","","0.978","","","","has coordinates","216060","2020-10-21","18:00:00",""
"1551490","17.444","0.003","10.8686","0.0019","12.1775","0.0019","90","","92.014","0.006","90","","2307.3","0.7","100","2","100.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 O2 -","- C32 H28 O2 -","- C128 H112 O8 -","4","1","","Paul J. Evans; Evan R. Darzi; Ramesh Jasti","Efficient room-temperature synthesis of a highly strained carbon nanohoop fragment of buckminsterfullerene","Nature Chemistry","2014","6","","404","408","10.1038/nchem.1888","","","1.54178","CuKα","","0.0575","0.0523","","","0.0968","0.0984","","","","","","1.05","","","","has coordinates","216062","2020-10-21","18:00:00",""
"1551491","9.8337","0.0002","11.6263","0.0003","35.5613","0.0008","90","","90","","90","","4065.71","0.16","100","2","100","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C30 H20 -","- C30 H20 -","- C240 H160 -","8","1","","Paul J. Evans; Evan R. Darzi; Ramesh Jasti","Efficient room-temperature synthesis of a highly strained carbon nanohoop fragment of buckminsterfullerene","Nature Chemistry","2014","6","","404","408","10.1038/nchem.1888","","","1.54178","CuKα","","0.0488","0.0486","","","0.1279","0.1281","","","","","","1.102","","","","has coordinates","216063","2020-10-21","18:00:00",""
"1551506","9.0184","0.0008","13.0497","0.0011","13.4511","0.0012","70.619","0.009","71.953","0.008","71.335","0.009","1377.6","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H24 N6 O4 Zn -","- C8 H24 N6 O4 Zn -","- C32 H96 N24 O16 Zn4 -","4","2","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0923","0.0881","","","0.2348","0.2385","","","","","","0.902","","","","has coordinates","216109","2020-10-21","18:00:00",""
"1551507","8.9542","0.0016","8.9542","0.0016","10.433","0.0019","90","","90","","120","","724.4","0.2","288","2","288","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H24 N6 O4 Zn -","- C8 H24 N6 O3.9996 Zn -","- C16 H48 N12 O7.9992 Zn2 -","2","0.166667","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0429","0.0425","","","0.1263","0.1269","","","","","","1.217","","","","has coordinates","216110","2020-10-21","18:00:00",""
"1551508","9.257","0.002","14.963","0.003","9.967","0.002","90","","94.028","0.005","90","","1377.1","0.5","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H23.5 N6 Ni O4 -","- C8 H24 N6 Ni O4 -","- C32 H96 N24 Ni4 O16 -","4","1","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0486","0.0466","","","0.1328","0.137","","","","","","1.14","","","","has coordinates","216111","2020-10-21","18:00:00",""
"1551509","8.866","0.003","8.866","0.003","10.486","0.003","90","","90","","120","","713.8","0.4","263","2","263","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O3.9996 -","- C16 H48 N12 Ni2 O7.9992 -","2","0.166667","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71073","MoKα","","0.0656","0.0652","","","0.1495","0.1506","","","","","","1.365","","","","has coordinates,has disorder","216112","2020-10-21","18:00:00",""
"1551510","9.272","0.002","14.975","0.003","9.964","0.002","90","","93.966","0.005","90","","1380.2","0.5","263","2","263","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O4 -","- C32 H96 N24 Ni4 O16 -","4","1","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0528","0.0505","","","0.1524","0.1565","","","","","","1.243","","","","has coordinates","216113","2020-10-21","18:00:00",""
"1551511","8.875","0.003","8.875","0.003","10.488","0.003","90","","90","","120","","715.4","0.4","283","2","283","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H24 N6 Ni O4 -","- C8 H24 N6 Ni O3.9996 -","- C16 H48 N12 Ni2 O7.9992 -","2","0.166667","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0557","0.0555","","","0.1776","0.1779","","","","","","1.654","","","","has coordinates","216114","2020-10-21","18:00:00",""
"1551512","9.283","0.012","14.938","0.019","9.972","0.012","90","","93.88","0.03","90","","1380","3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 D12 N6 Ni O4 -","- C8 H12 D12 N6 Ni O4 -","- C32 H48 D48 N24 Ni4 O16 -","4","1","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.1391","0.0846","","","0.1975","0.2279","","","","","","1.063","","","","has coordinates","216115","2020-10-21","18:00:00",""
"1551513","8.882","0.009","8.882","0.009","10.504","0.01","90","","90","","120","","717.6","1.2","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H12 D12 N6 Ni O4 -","- C8 H12 D12 N6 Ni O3.9996 -","- C16 H24 D24 N12 Ni2 O7.9992 -","2","0.166667","","Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato","Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex","Nature Chemistry","2014","6","","1079","1083","10.1038/nchem.2092","","","0.71075","MoKα","","0.0384","0.031","","","0.0688","0.0733","","","","","","1.017","","","","has coordinates","216116","2020-10-21","18:00:00",""
"1551648","11.3923","0.0017","12.7998","0.0019","8.6342","0.0013","90","","97.097","0.003","90","","1249.4","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","","MASUDA, Naoyuki; KAKUTA, Yoshihisa; YOSHIOKA, Daisuke; MIKURIYA, Masahiro","Synthesis and Crystal Structure of N-Salicylidene-2-hydroxy-5-bromobenzylamine","X-ray Structure Analysis Online","2014","30","0","7","","10.2116/xraystruct.30.7","","","0.71073","MoKα","","0.0359","0.0284","","","0.0679","0.0693","","","","","","0.965","","","","has coordinates","216259","2020-10-21","18:00:00",""
"1551649","9.3075","0.0012","20.839","0.003","13.7601","0.0017","90","","90.797","0.002","90","","2668.6","0.6","90","2","90","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C48 H28 Br4 Cl12 N4 O V -","- C48 H28 Br4 Cl12 N4 O V -","- C96 H56 Br8 Cl24 N8 O2 V2 -","2","0.5","","IKEUE, Takahisa; MURAI, Nami; HIRAOKA, Yuya; KUBOTA, Takeshi; OMATA, Kohji; YOSHIOKA, Daisuke; MIKURIYA, Masahiro; HANDA, Makoto","Crystal Structure of the (2,3,12,13-Tetrabromo-5,10,15,20-tetraphenylporphyrinato)oxidovanadium(IV) Complex","X-ray Structure Analysis Online","2014","30","0","37","","10.2116/xraystruct.30.37","","","0.71073","MoKα","","0.0596","0.0475","","","0.1419","0.1464","","","","","","1.166","","","","has coordinates,has disorder","216260","2020-10-21","18:00:00",""
"1551650","7.9513","0.0008","23.364","0.002","8.3103","0.0008","90","","90","","90","","1543.8","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H14 N4 O -","- C19 H14 N4 O -","- C76 H56 N16 O4 -","4","0.5","","HAO, Yongjing; XIE, Juan; MENG, Xiaocai; GAO, Xiaorui","Crystal Structure of 1,3-Di(quinolin-3-yl)urea","X-ray Structure Analysis Online","2014","30","0","27","","10.2116/xraystruct.30.27","","","0.71073","MoKα","","0.0813","0.0439","","","0.1234","0.1499","","","","","","0.921","","","","has coordinates","216261","2020-10-21","18:00:00",""
"1551651","7.431","0.002","9.09","0.003","11.252","0.003","105.51","0.003","93.332","0.002","111.009","0.003","673.6","0.3","123.1","","123.1","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C32 H32 N4 O6 -","2","1","","KUBO, Kanji; MATSUMOTO, Taisuke; TAKECHI, Haruko","Crystal Structure of 7-(Diethylamino)-3-(oxazol-5-yl)coumarin","X-ray Structure Analysis Online","2014","30","0","21","","10.2116/xraystruct.30.21","","","0.7107","MoKα","","","0.0418","","","","0.1094","","","","","","1.101","","","","has coordinates","216262","2020-10-21","18:00:00",""
"1551652","24.509","0.007","29.273","0.006","16.49","0.005","90","","132.942","0.003","90","","8661","4","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H46 Cl12 Mo6 N24 O13 S12 -","- C45 H42 Cl12 Mo6 N24 O13 S12 -","- C180 H168 Cl48 Mo24 N96 O52 S48 -","4","0.5","","MORIWAKI, Kazuhiro; YOSHIDA, Ryouichi; AKASHI, Haruo","Synthesis and Crystal Structure of a Sulfur-bridged Incomplete Cubane-type Molybdenum Cluster with a Tris(pyrazolyl)methanesulfonate Ligand","X-ray Structure Analysis Online","2014","30","0","11","","10.2116/xraystruct.30.11","","","0.71075","MoKα","","0.0798","0.0656","","","","0.1371","","","","","","1.128","","","","has coordinates","216263","2020-10-21","18:00:00",""
"1551653","7.7067","0.0012","7.784","0.0011","9.6014","0.0016","81.517","0.005","82.723","0.005","66.728","0.006","521.84","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cd Cl6 N4 O2 -","- C12 H24 Cd Cl6 N4 O2 -","- C12 H24 Cd Cl6 N4 O2 -","1","0.5","","KEFI, R.; ZELLER, M.; NASR, C. Ben","Synthesis and Crystal Structure of Bis[3-(ammoniomethyl)pyridinium]-hexachloridocadmate Dihydrate","X-ray Structure Analysis Online","2014","30","0","1","","10.2116/xraystruct.30.1","","","0.71073","MoKα","","0.0174","0.017","","","0.0425","0.0428","","","","","","1.093","","","","has coordinates","216264","2020-10-21","18:00:00",""
"1551654","6.0636","0.0004","14.2351","0.0009","14.6751","0.0008","90","","101.68","0.002","90","","1240.47","0.13","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H43 N O4 -","- C26 H43 N O4 -","- C52 H86 N2 O8 -","2","1","","Lopez-LEZAMA, Juan; Soriano-GARCIA, Manuel; Valencia-ISLAS, Norma A.; CABEZA, Marisa","Crystal Structure and Synthesis of N-cyclohexyl-3^|^beta;-hydroxyandrost-5,16-diene-17-carboxamide dihydrate","X-ray Structure Analysis Online","2014","30","0","59","","10.2116/xraystruct.30.59","","","0.71073","MoKα","","0.1198","0.0424","","","0.0529","0.0716","","","","","","0.806","","","","has coordinates","216265","2020-10-21","18:00:00",""
"1551655","12.057","0.002","4.7671","0.0008","16.327","0.004","90","","96.5","0.02","90","","932.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Cyano-N-cyclohexylacetamide","","- C9 H14 N2 O -","- C9 H14 N2 O -","- C36 H56 N8 O4 -","4","1","","Sharma, Preetika; Anthal, Sumati; Prakash, V.; Vasu; Gupta, Vivek K.; Kant, Rajni","Crystal Structure of 2-Cyano-N-cyclohexylacetamide","X-ray Structure Analysis Online","2014","30","","17","","10.2116/xraystruct.30.17","","","0.71073","MoKα","","0.112","0.0765","","","0.2067","0.2316","","","","","","1.152","","","","has coordinates","291258","2024-04-17","15:58:21",""
"1551656","7.72","0.004","9.006","0.004","20.131","0.009","92.459","0.007","95.299","0.007","91.099","0.007","1392","1.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H37 N3 O4 -","- C31 H37 N3 O4 -","- C62 H74 N6 O8 -","2","1","","YOKOYAMA, Akihiro; KAWANO, Natsumi; WADA, Yuka; NISHIKAWA, Michihiro; TAKAISHI, Kazuto; YOKOZAWA, Tsutomu","Crystal Structure of N-Isopropylanthranilic Acid Trimer","X-ray Structure Analysis Online","2014","30","0","35","","10.2116/xraystruct.30.35","","","0.7107","MoKα","","0.0903","0.0539","","","","0.1462","","","","","","1.147","","","","has coordinates","216267","2020-10-21","18:00:00",""
"1551657","9.923","0.0018","11.047","0.002","17.532","0.003","91.307","0.004","100.373","0.003","107.515","0.003","1796.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Mo2 N2 O8.5 -","- C40 H32 Mo2 N2 O8.5 -","- C80 H64 Mo4 N4 O17 -","2","1","","MIKURIYA, Masahiro; TSUKIMI, Norihito; ONO, Takashi; TANAKA, Yusuke; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis and Crystal Structure of a Chain Complex of Molybdenum(II) Benzoate and 4,4^|^prime;-Bipyridyl in Relation to the N2-Adsorption Property","X-ray Structure Analysis Online","2014","30","0","25","","10.2116/xraystruct.30.25","","","0.71073","MoKα","","0.0543","0.0377","","","0.0908","0.1008","","","","","","0.949","","","","has coordinates","216268","2020-10-21","18:00:00",""
"1551658","6.6013","0.0017","7.4333","0.0016","20.317","0.005","79.893","0.015","89.616","0.017","66.704","0.016","899.3","0.4","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","2","","KUBO, Kanji; MATSUMOTO, Taisuke; TAKECHI, Haruko","Crystal Structure of 7-(Dimethylamino)-2<i>H</i>-1-benzopyran-2-one","X-ray Structure Analysis Online","2014","30","0","23","","10.2116/xraystruct.30.23","","","1.54187","CuKα","","","0.0508","","","","0.1461","","","","","","1.188","","","","has coordinates","216269","2020-10-21","18:00:00",""
"1551659","6.7665","0.0001","14.7037","0.0002","18.1671","0.0003","90","","91.933","0.0008","90","","1806.46","0.05","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N4 O4 S -","- C19 H18 N4 O4 S -","- C76 H72 N16 O16 S4 -","4","1","","Marfo-OWUSU, Emmanuel; THOMPSON, Amber L.","The Crystal Structure of Entrapped 8-Hydroxyquinoline Molecules in an Interleaved Hydrogen Bonded Zigzag Channel of Sulfamethoxazole Molecules","X-ray Structure Analysis Online","2014","30","0","51","","10.2116/xraystruct.30.51","","","0.71073","MoKα","","0.045","0.0376","","0.094","0.0891","0.094","","","","","","0.9855","","","","has coordinates","216270","2020-10-21","18:00:00",""
"1551660","12.5322","0.0003","17.3577","0.0004","16.1681","0.0004","90","","97.112","0.007","90","","3489.99","0.15","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 B N2 Ni O7 -","- C35 H53 B N2 Ni O7 -","- C140 H212 B4 N8 Ni4 O28 -","4","1","","YAMAGUCHI, Ryo; YAMASAKI, Mikio; SAKIYAMA, Hiroshi","Dimeric Structure of a Nickel(II) Complex with 2,2^|^prime;-Iminodiethanol Composed by the Hydrogen-Bonding Network","X-ray Structure Analysis Online","2014","30","0","53","","10.2116/xraystruct.30.53","","","0.71075","MoKα","","","0.0263","","","","0.0682","","","","","","1.024","","","","has coordinates","216271","2020-10-21","18:00:00",""
"1551661","8.2457","0.0017","10.506","0.002","12.142","0.003","114.583","0.004","90.398","0.004","108.768","0.004","893.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Mo2 N2 O8 -","- C40 H32 Mo2 N2 O8 -","- C40 H32 Mo2 N2 O8 -","1","0.5","","MIKURIYA, Masahiro; KAIHARA, Noriaki; ONO, Takashi; TANAKA, Yusuke; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis and Crystal Structure of a Chain Complex of Molybdenum(II) Benzoate and 1,2-Bis(4-pyridyl)ethane with an N2-Adsorption Property","X-ray Structure Analysis Online","2014","30","0","39","","10.2116/xraystruct.30.39","","","0.71073","MoKα","","0.0474","0.0362","","","0.0689","0.0716","","","","","","0.896","","","","has coordinates,has disorder","216272","2020-10-21","18:00:00",""
"1551662","13.3994","0.0011","17.017","0.0016","7.9319","0.0008","90","","90.051","0.009","90","","1808.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene- 3-carbonitrile","","- C9 H10 N2 S -","- C9 H10 N2 S -","- C72 H80 N16 S8 -","8","2","","SHARMA, Ratika; ANTHAL, Sumati; PRAKASH, V.; SARAVANAN, J.; GUPTA, Vivek K.; KANT, Rajni","Asymmetric Molecules in the Polymorph of 2-Amino-4,5,6,7-tetrahydrobenzo-[b]thiophene-3-carbonitrile","X-ray Structure Analysis Online","2014","30","0","5","","10.2116/xraystruct.30.5","","","0.71073","MoKα","","0.0929","0.0591","","","0.1341","0.1584","","","","","","1.042","","","","has coordinates","216273","2020-10-21","18:00:00",""
"1551663","4.487","0.0001","18.8554","0.0002","16.6576","0.0001","90","","91.4421","0.0008","90","","1408.86","0.04","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl2 N2 O5 -","- C13 H10 Cl2 N2 O5 -","- C52 H40 Cl8 N8 O20 -","4","1","","MARFO-OWUSU, Emmanuel; THOMPSON, Amber","The Crystal Structure of Benzimidazole Complex with Chloranilic Acid Hydrate Adduct","X-ray Structure Analysis Online","2014","30","0","47","","10.2116/xraystruct.30.47","","","1.5418","CuKα","","0.0237","0.0235","","0.0616","0.0614","0.0616","","","","","","1.0083","","","","has coordinates","216274","2020-10-21","18:00:00",""
"1551664","14.8374","0.0015","25.661","0.003","24.038","0.002","90","","93.736","0.001","90","","9132.8","1.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H94 N8 S4 -","- C100 H94 N8 S4 -","- C400 H376 N32 S16 -","4","1","","ISHIMARU, Yoshihiro; SHIMOYAMA, Naoyuku; FUJIHARA, Takashi","Synthesis and Crystal Structure of bis[24]dithahexaphyrin(1.0.0.1.0.0)","X-ray Structure Analysis Online","2014","30","0","29","","10.2116/xraystruct.30.29","","","0.71073","MoKα","","0.1624","0.0734","","","0.1683","0.1787","","","","","","1.192","","","","has coordinates","216275","2020-10-21","18:00:00",""
"1551665","7.9393","0.0012","13.469","0.003","15.825","0.003","90","","90","","90","","1692.2","0.6","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O10 -","- C14 H20 O10 -","- C56 H80 O40 -","4","1","","MIURA, Daisuke; FUJIMOTO, Takashi; TASHIRO, Mitsuru; MACHINAMI, Tomoya","Crystal Structure of 1,3,4,5-Tetra-O-acetyl-^|^alpha;-D-tagatopyranose","X-ray Structure Analysis Online","2014","30","0","3","","10.2116/xraystruct.30.3","","","0.71075","MoKα","","","0.0313","","","","0.0845","","","","","","1.022","","","","has coordinates","216276","2020-10-21","18:00:00",""
"1551666","28.985","0.005","8.7403","0.0014","17.38","0.003","90","","103.642","0.003","90","","4278.8","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cl6 Cu3 N12 S4 -","- C36 H24 Cl6 Cu3 N12 S4 -","- C144 H96 Cl24 Cu12 N48 S16 -","4","0.5","","LIM, Jongwan; PARK, Heejun; GO, Hangyu; LEE, Janghwan; RYU, Sanghoon; YOSHIOKA, Daisuke; MIKURIYA, Masahiro","Trigonal-bipyramidal Copper(II) Cation with a Seven-membered Chelate Ring Containing a Disulfide Bond and Distorted Tetrahedral Copper(II) Anion","X-ray Structure Analysis Online","2014","30","0","13","","10.2116/xraystruct.30.13","","","0.71073","MoKα","","0.0701","0.0499","","","0.1042","0.1115","","","","","","1.024","","","","has coordinates","216277","2020-10-21","18:00:00",""
"1551667","10.452","0.003","12.529","0.003","16.708","0.005","106.41","0.004","106.916","0.004","90.2807","0.0013","1999","1","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 B3 Co2 F13 N8 O2 -","- C36 H36 B3 Co2 F13 N8 O2 -","- C72 H72 B6 Co4 F26 N16 O4 -","2","1","","SUENAGA, Yusaku; INOMATA, Masataka; UWAI, Kazuya; OKUDA, Koji; OKUBO, Takashi; MAEKAWA, Masahiko; KURODA-SOWA, Takayoshi","Crystal Structure of a Dinuclear Co Complex with Doubly Bridged Fluoride and Peroxo Ligands: ^|^mu;-fluoro ^|^mu;-peroxo bis{tris(2-pyridylmethyl)amine} dicobalt(III) tris(tetrafluoroborate), [Co2(^|^mu;-F)(^|^mu;-O2)(tpa)2](BF4)3","X-ray Structure Analysis Online","2014","30","0","57","","10.2116/xraystruct.30.57","","","0.71075","MoKα","","0.0532","0.045","","","0.1609","0.1679","","","","","","1.206","","","","has coordinates","216278","2020-10-21","18:00:00",""
"1551668","18.181","0.003","18.181","0.003","7.4559","0.0014","90","","90","","90","","2464.5","0.7","298","","298","","","","","","","","","7","P -4","P -4","81","","","","- C24 H20 Cl2 Fe N2 O2 P -","- C24 H20 Cl2 Fe N2 O2 P -","- C96 H80 Cl8 Fe4 N8 O8 P4 -","4","1","","AKUTSU, Hiroki; YAMADA, Jun-ichi; NAKATSUJI, Shin'ichi; TURNER, Scott S.","Crystal Structure of PPh4[Fe(NO)2Cl2]","X-ray Structure Analysis Online","2014","30","0","49","","10.2116/xraystruct.30.49","","","0.71075","MoKα","","0.1122","0.059","","","0.1083","0.1313","","","","","","1.03","","","","has coordinates","216279","2020-10-21","18:00:00",""
"1551669","10.6747","0.0001","9.4204","0.0001","13.6237","0.0002","90","","108.297","0.0014","90","","1300.73","0.03","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl2 N2 O4 -","- C11 H10 Cl2 N2 O4 -","- C44 H40 Cl8 N8 O16 -","4","1","","MARFO-OWUSU, Emmanuel; THOMPSON, Amber","The Molecular and Crystal Structure of 3,5-Dimethylpyrazole with Chloranilic Acid Adduct","X-ray Structure Analysis Online","2014","30","0","45","","10.2116/xraystruct.30.45","","","1.5418","CuKα","","0.0272","0.0265","","0.0753","0.0746","0.0753","","","","","","1.0005","","","","has coordinates","216280","2020-10-21","18:00:00",""
"1551670","27.657","0.003","23.834","0.003","26.529","0.003","90","","90","","90","","17487","4","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C88 H108 B3 Ce O8 S8 -","- C88 H108 B3 Ce O8 S8 -","- C704 H864 B24 Ce8 O64 S64 -","8","2","","SAKIYAMA, Hiroshi; YUZAWA, Hidetaka; YOSHIOKA, Daisuke; MIKURIYA, Masahiro","Structural Feature of an Octakis-DMSO Cerium(III) Complex: Tetragonal Antiprismatic Coordination Geometry along the <i>c</i> Axis","X-ray Structure Analysis Online","2014","30","0","19","","10.2116/xraystruct.30.19","","","0.71073","MoKα","","0.0764","0.0569","","","0.0855","0.0906","","","","","","1.055","","","","has coordinates,has disorder","216281","2020-10-21","18:00:00",""
"1551671","9.2402","0.0006","10.0287","0.0007","17.7145","0.0012","74.77","0.001","86.457","0.001","70.176","0.001","1489.36","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N2 O4.5 -","- C14 H18 N2 O4.5 -","- C56 H72 N8 O18 -","4","2","","FU, Wei-Wei; LI, Ya-Qian; XIE, Zhi-Ping; YU, Jiang-Xi; NIE, Xue","Crystal Structure of 2,2,4-Trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-5-ium hydrogen oxalate","X-ray Structure Analysis Online","2014","30","0","43","","10.2116/xraystruct.30.43","","","0.71073","MoKα","","0.0563","0.0502","","","0.1467","0.1522","","","","","","1.033","","","","has coordinates","275434","2022-05-16","05:31:56",""
"1551672","27.243","0.004","10.485","0.0015","23.115","0.003","90","","100.789","0.003","90","","6485.9","1.6","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H20 B D60 F4 O23 Ru2 -","- C56 H80 B F4 O23 Ru2 -","- C224 H320 B4 F16 O92 Ru8 -","4","0.5","","ISHIDA, Hideaki; HANDA, Makoto; MIKURIYA, Masahiro","Synthesis and Crystal Structure of Aqua Adduct of Dinuclear Ruthenium(II,III) 3,4,5-Tri(ethoxy-d5)benzoate Tetrafluoroborate","X-ray Structure Analysis Online","2014","30","0","9","","10.2116/xraystruct.30.9","","","0.71073","MoKα","","0.0905","0.046","","","0.0947","0.1037","","","","","","0.854","","","","has coordinates,has disorder","216283","2020-10-21","18:00:00",""
"1551673","17.755","0.004","21.58","0.004","25.6","0.005","90","","102.312","0.003","90","","9583","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C100 H74 F20 N8 S4 -","- C100 H74 F20 N8 S4 -","- C400 H296 F80 N32 S16 -","4","1","","ISHIMARU, Yoshihiro; SHIBA, Haruaki; FUJIHARA, Takashi","Crystal Structure of Bis[pentafluorophenyl[24]dithahexaphyrin(1.0.0.1.0.0)]","X-ray Structure Analysis Online","2014","30","0","33","","10.2116/xraystruct.30.33","","","0.71073","MoKα","","0.2094","0.0716","","","0.1269","0.1467","","","","","","0.927","","","","has coordinates","216284","2020-10-21","18:00:00",""
"1551674","26.178","0.005","13.567","0.003","18.796","0.004","90","","108.168","0.004","90","","6343","2","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H42 Cl N2 O8.5 Ru2 -","- C29 H42 Cl N2 O8.5 Ru2 -","- C232 H336 Cl8 N16 O68 Ru16 -","8","1","","HANDA, Makoto; IKEUE, Takahisa; IIDA, Masanari; YOSHIOKA, Daisuke; MIKURIYA, Masahiro","Crystal Structure and 1H NMR Spectral Property of a Lantern-Type Diruthenium(II,III) Complex with One Formamidinato and Three Acetato Bridges","X-ray Structure Analysis Online","2014","30","0","31","","10.2116/xraystruct.30.31","","","0.71073","MoKα","","0.0522","0.0294","","","0.0591","0.0622","","","","","","0.85","","","","has coordinates,has disorder","216285","2020-10-21","18:00:00",""
"1551675","8.2328","0.001","10.5428","0.0013","12.0915","0.0016","114.438","0.002","90.934","0.002","108.726","0.002","891.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Mo2 N2 O8 -","- C40 H30 Mo2 N2 O8 -","- C40 H30 Mo2 N2 O8 -","1","0.5","","MIKURIYA, Masahiro; KAIHARA, Noriaki; ONO, Takashi; TANAKA, Yusuke; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis and Crystal Structure of a Chain Complex of Molybdenum(II) Benzoate with 1,2-Bis(4-pyridyl)ethylene Having an N2-Adsorption Property","X-ray Structure Analysis Online","2014","30","0","41","","10.2116/xraystruct.30.41","","","0.71073","MoKα","","0.0534","0.0415","","","0.0827","0.0864","","","","","","1.004","","","","has coordinates","216286","2020-10-21","18:00:00",""
"1551836","10.778","0.0015","16.187","0.002","10.773","0.0014","90","","103.801","0.005","90","","1825.2","0.4","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H47 Cl Cs N7 O2 -","- C39 H47 Cl Cs N7 O2 -","- C78 H94 Cl2 Cs2 N14 O4 -","2","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71073","MoKα","","0.0529","0.041","","","0.0797","0.0837","","","","","","1.028","","","","has coordinates","216457","2020-10-21","18:00:00",""
"1551837","10.6334","0.0012","20.29","0.002","21.869","0.003","66.724","0.003","81.164","0.003","88.956","0.003","4278.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H122 Cl2 N15 Na O9 -","- C85 H117 Cl2 N15 Na O9 -","- C170 H234 Cl4 N30 Na2 O18 -","2","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71073","MoKα","","0.37","0.1668","","","0.313","0.4299","","","","","","1.064","","","","has coordinates","216458","2020-10-21","18:00:00",""
"1551838","21.179","0.0014","9.0172","0.0006","20.4471","0.0013","90","","94.011","0.002","90","","3895.3","0.4","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H51 Cl Cs N7 O2 -","- C41 H51 Cl Cs N7 O2 -","- C164 H204 Cl4 Cs4 N28 O8 -","4","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71073","MoKα","","0.0323","0.0303","","","0.0687","0.0694","","","","","","1.207","","","","has coordinates","216459","2020-10-21","18:00:00",""
"1551839","33.279","0.005","18.277","0.004","31.785","0.005","90","","108.793","0.009","90","","18302","6","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H138 Cl2 N15 Na O9 -","- C86 H114 Cl2 N15 Na O9 -","- C688 H912 Cl16 N120 Na8 O72 -","8","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71073","MoKα","","0.1421","0.0722","","","0.1931","0.2621","","","","","","0.978","","","","has coordinates","282761","2023-04-20","06:46:01",""
"1551840","10.466","0.0003","11.298","0.0004","20.076","0.0005","90","","104.461","0.002","90","","2298.67","0.12","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H71 Cl N8 O2 -","- C49 H71 Cl N8 O2 -","- C98 H142 Cl2 N16 O4 -","2","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71075","MoKα","","0.197","0.0989","","","0.1795","0.2217","","","","","","1.266","","","","has coordinates,has disorder","216461","2020-10-21","18:00:00",""
"1551841","12.8727","0.0009","9.6907","0.0006","30.04","0.002","90","","94.735","0.002","90","","3734.6","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 N7 O4 -","- C41 H55 N7 O4 -","- C164 H220 N28 O16 -","4","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71074","MoKα","","0.1715","0.0715","","","0.12","0.1545","","","","","","1.066","","","","has coordinates","216462","2020-10-21","18:00:00",""
"1551842","12.6815","0.0002","9.7814","0.0002","29.9349","0.0009","90","","94.805","0.002","90","","3700.16","0.15","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H53 N5 O6 -","- C41 H53 N5 O6 -","- C164 H212 N20 O24 -","4","1","","Sung-Kyun Ko; Sung Kuk Kim; Andrew Share; Vincent M. Lynch; Jinhong Park; Wan Namkung; Wim Van Rossom; Nathalie Busschaert; Philip A. Gale; Jonathan L. Sessler; Injae Shin","Synthetic ion transporters can induce apoptosis by facilitating chloride anion transport into cells","Nature Chemistry","2014","6","","885","892","10.1038/nchem.2021","","","0.71075","MoKα","","0.0902","0.0478","","","0.1049","0.121","","","","","","1.024","","","","has coordinates","216463","2020-10-21","18:00:00",""
"1551843","8.8644","0.0006","10.8121","0.0007","18.0451","0.0012","84.427","0.004","84.854","0.004","70.356","0.004","1618.13","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 B F19 Si -","- C32 H16 B F19 Si -","- C64 H32 B2 F38 Si2 -","2","1","","Adrian Y. Houghton; Juha Hurmalainen; Akseli Mansikkamaki; Warren E. Piers; Heikki M. Tuononen","Direct observation of a borane-silane complex involved in frustrated Lewis-pair-mediated hydrosilylations","Nature Chemistry","2014","6","","983","988","10.1038/nchem.2063","","","1.54178","CuKα","","0.0463","0.0413","","","0.1152","0.1204","","","","","","1.043","","","","has coordinates","216464","2020-10-21","18:00:00",""
"1551848","16.1901","0.0018","10.01","0.0011","21.24","0.003","90","","101.822","0.001","90","","3369.2","0.7","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 B12 Cl11 -","- C19 H23 B12 Cl11 -","- C76 H92 B48 Cl44 -","4","1","","Yoshiaki Shoji; Naoki Tanaka; Koichiro Mikami; Masanobu Uchiyama; Takanori Fukushima","A two-coordinate boron cation featuring C-B±C bonding","Nature Chemistry","2014","6","","498","503","10.1038/nchem.1948","","","0.71069","MoKα","","","0.0249","","","","0.0623","","","","","","1.026","","","","has coordinates","216469","2020-10-21","18:00:00",""
"1551849","15.995","0.003","15.995","0.003","7.7772","0.0012","90","","90","","90","","1989.7","0.6","90","","90","","","","","","","","","4","P -4 b 2","P -4 -2ab","117","","","","- C42 H22 B2 F20 -","- C42 H22 B2 F20 -","- C84 H44 B4 F40 -","2","0.25","","Yoshiaki Shoji; Naoki Tanaka; Koichiro Mikami; Masanobu Uchiyama; Takanori Fukushima","A two-coordinate boron cation featuring C-B±C bonding","Nature Chemistry","2014","6","","498","503","10.1038/nchem.1948","","","0.71069","MoKα","","","0.024","","","","0.0638","","","","","","1.068","","","","has coordinates","216470","2020-10-21","18:00:00",""
"1551850","9.2943","0.0013","10.468","0.0014","14.361","0.002","94.572","0.0016","95.238","0.0018","103.789","0.0015","1343.8","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 B11 Cl11 O -","- C11 H12 B11 Cl11 O -","- C22 H24 B22 Cl22 O2 -","2","1","","Yoshiaki Shoji; Naoki Tanaka; Koichiro Mikami; Masanobu Uchiyama; Takanori Fukushima","A two-coordinate boron cation featuring C-B±C bonding","Nature Chemistry","2014","6","","498","503","10.1038/nchem.1948","","","0.71069","MoKα","","","0.0289","","","","0.0761","","","","","","1.052","","","","has coordinates","216471","2020-10-21","18:00:00",""
"1551927","16.9293","0.001","18.4694","0.0007","28.346","0.002","90","","100.629","0.006","90","","8711","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H66 Mn3 N12 O16 -","- C75 H66 Mn3 N12 O16 -","- C300 H264 Mn12 N48 O64 -","4","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.7107","MoKα","","0.1889","0.1272","","","0.2276","0.2533","","","","","","1.186","","","","has coordinates","216656","2020-10-21","18:00:00",""
"1551928","12.236","0.002","33.628","0.007","51.707","0.01","90","","94.19","0.03","90","","21219","7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C150 H132 Cl4 Co2 Mn6 N24 O24 -","- C150 H132 Cl4 Co2 Mn6 N24 O24 -","- C600 H528 Cl16 Co8 Mn24 N96 O96 -","4","1","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","Synchrotron","","0.1105","0.0776","","","0.2017","0.2181","","","","","","1.053","","","","has coordinates,has disorder","216657","2020-10-21","18:00:00",""
"1551929","12.352","0.003","33.725","0.007","13.03","0.003","90","","96.63","0.03","90","","5392","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C79 H66 Cl2 Mn3 N12 O16 Rh2 -","- C79 H66 Cl2 Mn3 N12 O16 Rh2 -","- C158 H132 Cl4 Mn6 N24 O32 Rh4 -","2","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","Synchrotron","","0.083","0.0749","","","0.2245","0.2321","","","","","","1.036","","","","has coordinates,has disorder","216658","2020-10-21","18:00:00",""
"1551930","12.359","0.003","33.229","0.007","12.887","0.003","90","","96.42","0.03","90","","5259","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C75 H66 Cl3 Mn3 N12 O16 Rh -","- C75 H66 Mn3 N12 O16 Rh -","- C150 H132 Mn6 N24 O32 Rh2 -","2","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","Synchrotron","","0.0946","0.075","","","0.2182","0.2331","","","","","","1.068","","","","has coordinates,has disorder","216659","2020-10-21","18:00:00",""
"1551931","12.3582","0.0005","33.9509","0.0015","12.9507","0.0006","90","","99.89","0.004","90","","5353","0.4","105","8","105","8","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C80 H72 Cl0 I2 Mn3 N13 O14 Rh -","- C80 H72 I1.5 Mn3 N13 O14 Rh -","- C160 H144 I3 Mn6 N26 O28 Rh2 -","2","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","MoKα","","0.1706","0.1076","","","0.2892","0.3271","","","","","","1.001","","","","has coordinates,has disorder","216660","2020-10-21","18:00:00",""
"1551932","12.289","0.003","32.302","0.007","25.974","0.005","90","","93.57","0.03","90","","10291","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H66 Mn3 N12 O12 -","- C75 H66 Mn3 N12 O12 -","- C300 H264 Mn12 N48 O48 -","4","1","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.71073","Synchrotron","","0.077","0.0565","","","0.1608","0.1704","","","","","","1.07","","","","has coordinates,has disorder","216661","2020-10-21","18:00:00",""
"1551933","12.3989","0.0012","33.418","0.003","12.9445","0.0016","90","","98.312","0.011","90","","5307.2","1","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C75 H66 Cl2 Co Mn3 N12 O16 -","- C75 H66 Cl2 Co Mn3 N12 O16 -","- C150 H132 Cl4 Co2 Mn6 N24 O32 -","2","0.5","","Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby","Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks","Nature Chemistry","2014","6","","906","912","10.1038/nchem.2045","","","0.7107","MoKα","","0.1277","0.0928","","","0.2256","0.2419","","","","","","1.066","","","","has coordinates","216662","2020-10-21","18:00:00",""
"1551940","5.49944","","5.49944","","13.2172","","90","","90","","120","","346.184","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Cu La O3 -","- Cu La O3 -","- Cu6 La6 O18 -","6","0.166667","","Zhou, J.-S.; Marshall, L. G.; Goodenough, J. B.","Mass enhancement versus Stoner enhancement in strongly correlated metallic perovskites: LaNiO3 and LaCuO3","Physical Review B","2014","89","24","245138","","10.1103/PhysRevB.89.245138","","","","","","","","","","","","","","","","","","","","","has coordinates","216772","2020-10-21","18:00:00",""
"1551973","14.3169","0.0003","52.6236","0.001","19.6942","0.0004","90","","90.753","0.001","90","","14836.5","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48.35 H51.66 Cl6.46 N7.34 O1.21 Pd3 -","- C48.106 H48.701 Cl6.45825 N7.345 O0.95825 Pd3 -","- C384.848 H389.608 Cl51.666 N58.76 O7.666 Pd24 -","8","4","","Ryou Kubota; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","In situ X-ray snapshot analysis of transient molecular adsorption in a crystalline channel","Nature Chemistry","2014","6","","913","918","10.1038/nchem.2044","","","0.71075","MoKα","","0.1223","0.0724","","","0.1795","0.2112","","","","","","0.961","","","","has coordinates","279817","2022-12-09","07:50:58",""
"1551974","14.3234","0.0003","52.7691","0.001","19.7513","0.0004","90","","90.668","0.001","90","","14927.7","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.22 H52.35 Cl6.56 N7.35 O1.19 Pd3 -","- C48.971 H49.5685 Cl6.56575 N7.3475 O0.92375 Pd3 -","- C391.768 H396.548 Cl52.526 N58.78 O7.39 Pd24 -","8","4","","Ryou Kubota; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","In situ X-ray snapshot analysis of transient molecular adsorption in a crystalline channel","Nature Chemistry","2014","6","","913","918","10.1038/nchem.2044","","","0.71075","MoKα","","0.1041","0.0667","","","0.1725","0.198","","","","","","0.989","","","","has coordinates","279817","2022-12-09","07:51:00",""
"1551975","14.3263","0.0003","52.7504","0.001","19.746","0.0004","90","","90.666","0.001","90","","14921.4","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.81 H53.02 Cl6.65 N7.3 O1.28 Pd3 -","- C49.5615 H49.6113 Cl6.6515 N7.29975 O1.03075 Pd3 -","- C396.492 H396.89 Cl53.212 N58.398 O8.246 Pd24 -","8","4","","Ryou Kubota; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","In situ X-ray snapshot analysis of transient molecular adsorption in a crystalline channel","Nature Chemistry","2014","6","","913","918","10.1038/nchem.2044","","","0.71075","MoKα","","0.109","0.0676","","","0.1753","0.2039","","","","","","0.987","","","","has coordinates,has disorder","279817","2022-12-09","07:51:01",""
"1551976","14.3197","0.0004","52.525","0.0013","19.6905","0.0005","90","","90.763","0.001","90","","14808.7","0.7","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.21 H52.58 Cl6.58 N7.28 O1.43 Pd3 -","- C48.966 H49.501 Cl6.58075 N7.285 O1.08075 Pd3 -","- C391.728 H396.008 Cl52.646 N58.28 O8.646 Pd24 -","8","4","","Ryou Kubota; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","In situ X-ray snapshot analysis of transient molecular adsorption in a crystalline channel","Nature Chemistry","2014","6","","913","918","10.1038/nchem.2044","","","0.71075","MoKα","","0.1347","0.0766","","","0.1994","0.2412","","","","","","0.954","","","","has coordinates,has disorder","279817","2022-12-09","07:51:01",""
"1552049","6.8495","0.0014","18.809","0.004","7.2113","0.0015","90","","101.364","0.007","90","","910.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Californium(III) Borate","","","- B6 Cf H5 O13 -","- B6 Cf H5 O13 -","- B24 Cf4 H20 O52 -","4","0.5","","Matthew J. Polinski; Edward B. Garner III; Remi Maurice; Nora Planas; Jared T. Stritzinger; T. Gannon Parker; Justin N. Cross; Thomas D. Green; Evgeny V. Alekseev; Shelley M. Van Cleve; Wulf Depmeier; Laura Gagliardi; Michael Shatruk; Kenneth L. Knappenberger; Guokui Liu; S. Skanthakumar; Lynda Soderholm; David A. Dixon; Thomas E. Albrecht-Schmitt","Unusual structure, bonding and properties in a californium borate","Nature Chemistry","2014","6","","387","392","10.1038/nchem.1896","","","0.71073","MoKα","","0.0384","0.0277","","","0.0466","0.0547","","","","","","1.147","","","","has coordinates","216867","2020-10-21","18:00:00",""
"1552054","22.2055","0.0011","22.2055","0.0011","33.1729","0.0017","90","","90","","120","","14165.6","1.2","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C162 H90 O47 Y9 -","- C162 H90 O47 Y9 -","- C324 H180 O94 Y18 -","2","0.0833333","","Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi","Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks","Nature Chemistry","2014","6","","673","680","10.1038/nchem.1982","","","1.54178","CuKα","","0.1102","0.0735","","","0.1998","0.2153","","","","","","0.978","","","","has coordinates,has disorder","216872","2020-10-21","18:00:00",""
"1552055","37.1384","0.0013","37.1384","0.0013","74.478","0.004","90","","90","","120","","88962","6","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C72 H35 Cu3 N O15 -","- C72.5 H35 Cu3 N O15 -","- C870 H420 Cu36 N12 O180 -","12","0.5","","Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi","Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks","Nature Chemistry","2014","6","","673","680","10.1038/nchem.1982","","","1.54178","CuKα","","0.0969","0.0638","","","0.1697","0.1846","","","","","","1.02","","","","has coordinates,has disorder","216873","2020-10-21","18:00:00",""
"1552056","15.2613","0.0009","15.2613","0.0009","19.903","0.0015","90","","90","","90","","4635.6","0.5","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C80 H59 F11 N2 O37 Tb6 -","- C79.5 H59 F11 N2 O37 Tb6 -","- C159 H118 F22 N4 O74 Tb12 -","2","0.125","","Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi","Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks","Nature Chemistry","2014","6","","673","680","10.1038/nchem.1982","","","1.54178","CuKα","","0.0509","0.0435","","","0.1304","0.1384","","","","","","1.08","","","","has coordinates,has disorder","216874","2020-10-21","18:00:00",""
"1552057","14.0129","0.001","14.6036","0.001","4.7205","0.0003","90","","90","","90","","966","0.11","100","","100","","","","","","","","Synthesised.","5","P 21 21 2","P 2 2ab","18","Zinc(GlySer)2 H2O MeOH","Zinc(GlySer)2 H2O MeOH","","- C11.67 H26.67 N4 O10.67 Zn -","- C11.66 H26.64 N4 O10.66 Zn -","- C23.32 H53.28 N8 O21.32 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.710747","MoKα","K-L~3~","0.0586","0.0486","","","0.1197","0.1268","","","","","","1.045","","","","has coordinates,has disorder","216875","2020-10-21","18:00:00",""
"1552058","13.8742","0.0006","14.606","0.0007","4.7321","0.0002","90","","90","","90","","958.94","0.07","100.15","","100.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Zn[(GlyAla)0.5(GlySer)0.5]2 H2O MeOH","","- C10.67 H18 N4 O7.97 Zn -","- C10.66 H18 N4 O7.96 Zn -","- C21.32 H36 N8 O15.92 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","","0.71073","MoKα","","0.072","0.0643","","","0.1779","0.1885","","","","","","1.137","","","","has coordinates,has disorder","216876","2020-10-21","18:00:00",""
"1552059","13.6542","0.0006","14.8585","0.0006","4.7251","0.0002","90","","90","","90","","958.63","0.07","100.15","","100.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Zn[(GlyAla)0.5(GlyThr)0.5]2 H2O MeOH","","- C11.5 H18 N4 O8 Zn -","- C11.5 H18 N4 O8 Zn -","- C23 H36 N8 O16 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.710747","MoKα","K-L~3~","0.0505","0.0478","","","0.1339","0.1372","","","","","","1.068","","","","has coordinates,has disorder","216877","2020-10-21","18:00:00",""
"1552060","11.4558","0.001","13.0673","0.001","7.7695","0.0006","90","","126.716","0.004","90","","932.32","0.14","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H20 N4 O9.5 Zn -","- C12 H20 N4 O9.5 Zn -","- C24 H40 N8 O19 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.710747","MoKα","K-L~3~","0.0558","0.0498","","","0.1131","0.1174","","","","","","1.082","","","","has coordinates,has disorder","216878","2020-10-21","18:00:00",""
"1552061","13.8808","0.001","14.6838","0.0011","4.7401","0.0003","90","","90","","90","","966.14","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12.43 H26.85 N4 O10 Zn -","- C12.426 H26.852 N4 O10 Zn -","- C24.852 H53.704 N8 O20 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.6889","Synchrotron","","0.0512","0.0436","","","0.1088","0.113","","","","","","1.041","","","","has coordinates,has disorder","216879","2020-10-21","18:00:00",""
"1552062","11.151","0.012","14.586","0.016","4.837","0.005","90","","90","","90","","786.7","1.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10.42 H18.85 N4 O8 Zn -","- C10.42 H18.84 N4 O8 Zn -","- C20.84 H37.68 N8 O16 Zn2 -","2","0.5","","C. Marti-Gastaldo; D. Antypov; J. E. Warren; M. E. Briggs; P. A. Chater; P. V. Wiper; G. J. Miller; Y. Z. Khimyak; G. R. Darling; N. G. Berry; M. J. Rosseinsky","Side-chain control of porosity closure in single- and multiple-peptide-based porous materials by cooperative folding","Nature Chemistry","2014","6","","343","351","10.1038/nchem.1871","","x-ray","0.6889","Synchrotron","","0.112","0.0901","","","0.2135","0.2303","","","","","","1.055","","","","has coordinates,has disorder","216880","2020-10-21","18:00:00",""
"1552077","18.868","0.007","14.993","0.006","23.283","0.009","90","","107.387","0.006","90","","6286","4","300","2","300","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H64 F6 N6 O10 Pd2 S2 -","- C48 H64 F6 N6 O10 Pd2 S2 -","- C192 H256 F24 N24 O40 Pd8 S8 -","4","0.5","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.1522","0.075","","","0.1959","0.2223","","","","","","0.9","","","","has coordinates","216896","2020-10-21","18:00:00",""
"1552078","32.76","0.004","32.76","0.004","35.29","0.004","90","","90","","90","","37874","8","100","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C264 H280 N32 O16 Pd8 Zn2 -","- C11.234 H11.9149 N1.3617 O0.680851 Pd0.340426 Zn0.0851064 -","- C528 H560 N64 O32 Pd16 Zn4 -","47","2.9375","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.2777","0.2481","","","0.4594","0.4865","","","","","","3.84","","","","has coordinates","216897","2020-10-21","18:00:00",""
"1552079","32.16","","32.16","","34.85","","90","","90","","90","","36044.2","","100","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C340 H280 N32 O16 Pd8 Zn2 -","- C28.3333 H23.3333 N2.66667 O1.33333 Pd0.666667 Zn0.166667 -","- C680 H560 N64 O32 Pd16 Zn4 -","24","1.5","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.3349","0.267","","","0.4862","0.5691","","","","","","2.623","","","","has coordinates,has disorder","216898","2020-10-21","18:00:00",""
"1552080","32.202","0.004","32.202","0.004","34.972","0.005","90","","90","","90","","36265","8","100","2","293","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C380 H280 N23 O16 Pd8 Z -","- C31.6667 H23.3333 N2.66667 O1.33333 Pd0.666667 Zn0.166667 -","- C760 H560 N64 O32 Pd16 Zn4 -","24","1.5","","Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas","Sponge-like molecular cage for purification of fullerenes","Nature Communications","2014","5","","5557","","10.1038/ncomms6557","","","0.71073","MoKα","","0.3899","0.301","","","0.4971","0.5571","","","","","","2.922","","","","has coordinates,has disorder","216899","2020-10-21","18:00:00",""
"1552095","15.4326","0.0003","5.2015","0.0001","16.2067","0.0003","90","","91.986","0.001","90","","1300.17","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H18 N2 O7 -","- C10 H18 N2 O7 -","- C40 H72 N8 O28 -","4","2","","H. Allouchi; R. Ceolin; L. Berthon; F. Tombret; I. B. Rietveld","Characterization of molecular associations involving L-ornithine and alpha-ketoglutaric acid: Crystal structure of L-ornithinium alpha-ketoglutarate","Annales Pharmaceutiques Francaises","2014","72","","238","243","10.1016/j.pharma.2014.04.005","","","0.71069","MoKα","","0.0708","0.047","","","0.1024","0.1141","","","","","","1.034","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1552963","7.8536","0.0003","8.5571","0.0003","29.1438","0.0009","90","","90.415","0.002","90","","1958.53","0.12","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br F5 N2 -","- C18 H22 Br F5 N2 -","- C72 H88 Br4 F20 N8 -","4","1","","Anthofer, Michael H.; Wilhelm, Michael E.; Cokoja, Mirza; Markovits, Iulius I. E.; Pöthig, Alexander; Mink, János; Herrmann, Wolfgang A.; Kühn, Fritz E.","Cycloaddition of CO2 and epoxides catalyzed by imidazolium bromides under mild conditions: influence of the cation on catalyst activity","Catalysis Science & Technology","2014","4","6","1749","","10.1039/c3cy01024d","","x-ray","0.71073","MoKα","","0.1433","0.0793","","","0.0824","0.0927","","","","","","1.112","","","","has coordinates","232617","2020-10-21","18:00:00",""
"1552964","11.2047","0.0016","12.2098","0.0018","13.3534","0.0017","97.661","0.01","96.853","0.008","99.139","0.009","1769","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","2","","Zhang, Wen-Zhen; Shi, Ling-Long; Liu, Chuang; Yang, Xu-Tong; Wang, Yan-Bo; Luo, Yi; Lu, Xiao-Bing","Sequential carboxylation/intramolecular cyclization reaction of o-alkynyl acetophenone with CO2","Organic Chemistry Frontiers","2014","1","3","275","","10.1039/c3qo00047h","","","0.71073","MoKα","","0.0874","0.0684","","","0.2013","0.217","","","","","","1.076","","","","has coordinates","232639","2020-10-21","18:00:00",""
"1552965","8.0584","0.001","13.7851","0.0014","14.5897","0.0016","107.134","0.007","105.844","0.008","103.626","0.008","1399.1","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C72 H56 O12 -","4","2","","Zhang, Wen-Zhen; Shi, Ling-Long; Liu, Chuang; Yang, Xu-Tong; Wang, Yan-Bo; Luo, Yi; Lu, Xiao-Bing","Sequential carboxylation/intramolecular cyclization reaction of o-alkynyl acetophenone with CO2","Organic Chemistry Frontiers","2014","1","3","275","","10.1039/c3qo00047h","","","0.71073","MoKα","","0.112","0.0563","","","0.1483","0.1806","","","","","","1.02","","","","has coordinates","232639","2020-10-21","18:00:00",""
"1552966","6.9253","0.0002","13.3435","0.0004","18.5149","0.0006","88.562","0.0017","84.154","0.0019","76.656","0.0019","1656.07","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H33 N5 O4 S2 -","- C39 H33 N5 O4 S2 -","- C78 H66 N10 O8 S4 -","2","1","","Black, Hayden T.; Lin, Huaping; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Supramolecular control of organic p/n-heterojunctions by complementary hydrogen bonding.","Faraday discussions","2014","174","","297","312","10.1039/c4fd00133h","","x-ray","1.54178","CuKα","","0.0769","0.0561","","","0.1505","0.1691","","","","","","1.009","","","","has coordinates,has disorder","232802","2020-10-21","18:00:00",""
"1552967","21.99561","0.00018","9.3758","0.00008","31.7046","0.0002","90","","106.046","0.0004","90","","6283.59","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 N5 O6 -","- C39 H33 N5 O6 -","- C312 H264 N40 O48 -","8","2","","Black, Hayden T.; Lin, Huaping; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Supramolecular control of organic p/n-heterojunctions by complementary hydrogen bonding.","Faraday discussions","2014","174","","297","312","10.1039/c4fd00133h","","x-ray","1.54178","CuKα","","0.0796","0.0587","","","0.1599","0.1808","","","","","","1.036","","","","has coordinates,has disorder","232802","2020-10-21","18:00:00",""
"1552968","17.9367","0.0003","9.3501","0.0002","19.4676","0.0003","90","","112.562","0.0009","90","","3015.03","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 N5 O6 -","- C37 H27 N5 O6 -","- C148 H108 N20 O24 -","4","1","","Black, Hayden T.; Lin, Huaping; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Supramolecular control of organic p/n-heterojunctions by complementary hydrogen bonding.","Faraday discussions","2014","174","","297","312","10.1039/c4fd00133h","","x-ray","1.54178","CuKα","","0.0515","0.0417","","","0.1094","0.118","","","","","","1.019","","","","has coordinates,has disorder","232802","2020-10-21","18:00:00",""
"1552969","13.1215","0.0007","11.0922","0.0005","9.3453","0.0004","90","","90","","90","","1360.17","0.11","290","2","290","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C37 H26 O4 -","- C37 H26 O4 -","- C74 H52 O8 -","2","0.5","","Wang, Bin; Gu, Zhenhua","Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives","Org. Chem. Front.","2014","1","3","271","","10.1039/C4QO00011K","","","0.71073","MoKα","","0.0843","0.0499","","","0.0969","0.1177","","","","","","1.015","","","","has coordinates","232916","2020-10-21","18:00:00",""
"1552970","14.4556","0.0017","10.033","0.0007","17.453","0.003","90","","111.716","0.017","90","","2351.6","0.6","290","2","290","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24.8 H24 N1.6 -","- C24.8 H24 N1.6 -","- C124 H120 N8 -","5","1.25","","Wang, Bin; Gu, Zhenhua","Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives","Org. Chem. Front.","2014","1","3","271","","10.1039/C4QO00011K","","","1.54184","CuKα","","0.14","0.1056","","","0.2296","0.2526","","","","","","1.027","","","","has coordinates","232916","2020-10-21","18:00:00",""
"1552971","26.28","0.002","9.4772","0.0007","9.5917","0.0008","90","","90","","90","","2388.9","0.3","290","2","290","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C31 H30 N2 -","- C31 H30 N2 -","- C124 H120 N8 -","4","0.5","","Wang, Bin; Gu, Zhenhua","Highly efficient and practical resolution of 2,3:6,7-dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and stereoselective synthesis of its chiral diamine derivatives","Org. Chem. Front.","2014","1","3","271","","10.1039/C4QO00011K","","","0.71073","MoKα","","0.109","0.0589","","","0.1248","0.1487","","","","","","1.019","","","","has coordinates","232916","2020-10-21","18:00:00",""
"1552972","6.4951","0.0015","9.549","0.002","15.501","0.004","81.333","0.005","86.707","0.005","74.351","0.005","915","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H21 B Br O P -","- C17 H21 B Br O P -","- C34 H42 B2 Br2 O2 P2 -","2","2","","Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang","Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds","Org. Chem. Front.","2014","1","5","541","","10.1039/C4QO00017J","","","0.71073","MoKα","","0.0789","0.0552","","","0.1448","0.1598","","","","","","1.019","","","","has coordinates","232918","2020-10-21","18:00:00",""
"1552973","6.2364","0.0005","17.7803","0.0018","18.9588","0.0017","90","","90","","90","","2102.2","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B Br N O P -","- C20 H22 B Br N O P -","- C80 H88 B4 Br4 N4 O4 P4 -","4","1","","Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang","Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds","Org. Chem. Front.","2014","1","5","541","","10.1039/C4QO00017J","","","0.71073","MoKα","","0.0995","0.0497","","","0.1008","0.1189","","","","","","0.975","","","","has coordinates","232918","2020-10-21","18:00:00",""
"1552974","10.135","0.007","13.483","0.009","15.598","0.01","90","","90","","90","","2131","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 B O P -","- C24 H28 B O P -","- C96 H112 B4 O4 P4 -","4","1","","Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang","Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds","Org. Chem. Front.","2014","1","5","541","","10.1039/C4QO00017J","","","0.71073","MoKα","","0.0383","0.0355","","","0.0902","0.0924","","","","","","1.056","","","","has coordinates","232918","2020-10-21","18:00:00",""
"1552975","9.7339","0.0016","10.1445","0.0016","11.2108","0.0017","69.234","0.003","70.764","0.004","78.702","0.004","973.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C52 H42 N2 O4 -","2","1","","Ge, Guang-Cun; Ding, Chang-Hua; Hou, Xue-Long","Palladacycle-catalyzed cascade reaction of bicyclic alkenes with alkynyl imines: synthesis of polycyclic 5H-benzo[b]azepines","Org. Chem. Front.","2014","1","4","382","","10.1039/C4QO00030G","","","0.71073","MoKα","","0.0612","0.0493","","","0.1318","0.143","","","","","","1.053","","","","has coordinates","232920","2020-10-21","18:00:00",""
"1552976","10.1946","0.0001","10.6368","0.0001","19.8674","0.0001","90","","90","","90","","2154.38","0.03","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O -","- C28 H27 N O -","- C112 H108 N4 O4 -","4","1","","He, Yu-Ping; Wu, Hua; Xu, Lue; Su, Yong-Liang; Gong, Liu-Zhu","Highly enantioselective oxidative tandem cyclization reaction: a chiral ligand and an anion cooperatively control stereoselectivity","Org. Chem. Front.","2014","1","5","473","","10.1039/C4QO00042K","","","1.54184","CuKα","","0.0291","0.029","","","0.0781","0.0783","","","","","","1.055","","","","has coordinates","232922","2020-10-21","18:00:00",""
"1552977","14.965","0.003","8.119","0.0016","13.829","0.003","90","","116.87","0.03","90","","1498.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 F4 N4 O2 -","- C16 H6 F4 N4 O2 -","- C64 H24 F16 N16 O8 -","4","1","","Liu, Yan-Hua; Zhang, Liang; Xu, Xiao-Na; Li, Zhi-Ming; Zhang, Dan-Wei; Zhao, Xin; Li, Zhan-Ting","Intramolecular C‒H⋯F hydrogen bonding-induced 1,2,3-triazole-based foldamers","Org. Chem. Front.","2014","1","5","494","","10.1039/C4QO00047A","","","1.54178","CuKα","","0.0462","0.0446","","","0.1275","0.1292","","","","","","1.041","","","","has coordinates","232924","2020-10-21","18:00:00",""
"1552978","10.327","0.002","11.834","0.002","23.984","0.005","79.88","0.03","88.92","0.03","87.48","0.03","2882.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H23 F3 N4 O -","- C36 H23 F3 N4 O -","- C144 H92 F12 N16 O4 -","4","2","","Liu, Yan-Hua; Zhang, Liang; Xu, Xiao-Na; Li, Zhi-Ming; Zhang, Dan-Wei; Zhao, Xin; Li, Zhan-Ting","Intramolecular C‒H⋯F hydrogen bonding-induced 1,2,3-triazole-based foldamers","Org. Chem. Front.","2014","1","5","494","","10.1039/C4QO00047A","","","1.54178","CuKα","","0.1848","0.1762","","","0.5008","0.5033","","","","","","3.898","","","","has coordinates","232924","2020-10-21","18:00:00",""
"1552979","13.555","0.003","8.9872","0.0018","15.716","0.003","90","","112.99","0.03","90","","1762.5","0.7","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F3 N2 O3 S -","- C17 H17 F3 N2 O3 S -","- C68 H68 F12 N8 O12 S4 -","4","1","","Yan, Xiaoyu; Yi, Xiangli; Xi, Chanjuan","Direct cleavage of the NN bond of azobenzenes by MeOTf leading to N-arylbenzimidazoles","Org. Chem. Front.","2014","1","6","657","","10.1039/C4QO00056K","","","0.71073","MoKα","","","0.0593","","","0.1576","0.1672","","","","","","1.171","","","","has coordinates","232926","2020-10-21","18:00:00",""
"1552980","9.805","0.002","9.3144","0.0019","15.513","0.003","90","","97.91","0.03","90","","1403.3","0.5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F3 N2 O -","- C16 H13 F3 N2 O -","- C64 H52 F12 N8 O4 -","4","1","","Yan, Xiaoyu; Yi, Xiangli; Xi, Chanjuan","Direct cleavage of the NN bond of azobenzenes by MeOTf leading to N-arylbenzimidazoles","Org. Chem. Front.","2014","1","6","657","","10.1039/C4QO00056K","","","0.71073","MoKα","","","0.07","","","0.1587","0.1652","","","","","","1.167","","","","has coordinates","232926","2020-10-21","18:00:00",""
"1552981","13.828","0.003","16.821","0.004","15.516","0.002","90","","90.367","0.013","90","","3609","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{Bis-(2-phenylpyridine)}{4,4-dimethyl-2,2-dipyridylamine} iridium hexafluorophosphate","","- C34 H29 F6 Ir N5 P -","- C34 H29 F6 Ir N5 P -","- C136 H116 F24 Ir4 N20 P4 -","4","1","","Sauvageot, Elodie; Marion, Ronan; Sguerra, Fabien; Grimault, Adèle; Daniellou, Richard; Hamel, Matthieu; Gaillard, Sylvain; Renaud, Jean-Luc","Iridium(iii) dipyridylamine complexes: synthesis, characterization and catalytic activities in photoredox reactions","Organic Chemistry Frontiers","2014","1","6","639","","10.1039/c4qo00059e","","","0.71073","MoKα","","0.0484","0.0265","","","0.0649","0.0701","","","","","","1.007","","","","has coordinates","232928","2020-10-21","18:00:00",""
"1552982","9.3281","0.0006","15.4516","0.001","23.6282","0.0017","90","","92.742","0.003","90","","3401.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{Bis-(1-phenylpyrazole)}{4,4-dimethyl-2,2-dipyridylamine} iridium hexafluorophosphate","","- C30 H27 F6 Ir N7 P -","- C30 H27 F6 Ir N7 P -","- C120 H108 F24 Ir4 N28 P4 -","4","1","","Sauvageot, Elodie; Marion, Ronan; Sguerra, Fabien; Grimault, Adèle; Daniellou, Richard; Hamel, Matthieu; Gaillard, Sylvain; Renaud, Jean-Luc","Iridium(iii) dipyridylamine complexes: synthesis, characterization and catalytic activities in photoredox reactions","Organic Chemistry Frontiers","2014","1","6","639","","10.1039/c4qo00059e","","","0.71073","MoKα","","0.0405","0.0311","","","0.0665","0.0691","","","","","","1.066","","","","has coordinates","232928","2020-10-21","18:00:00",""
"1552983","11.986","0.0005","12.2786","0.0007","16.2211","0.0009","103.393","0.005","110.555","0.005","92.801","0.004","2152.2","0.2","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 F6 N O10 P -","- C36 H48 F6 N O10 P -","- C72 H96 F12 N2 O20 P2 -","2","1","","Zheng, Bo; Klautzsch, Fabian; Xue, Min; Huang, Feihe; Schalley, Christoph A.","Self-sorting of crown ether/secondary ammonium ion hetero-[c2]daisy chain pseudorotaxanes","Org. Chem. Front.","2014","1","5","532","","10.1039/C4QO00064A","","","0.71073","MoKα","","0.1665","0.097","","","0.2891","0.3278","","","","","","1.086","","","","has coordinates,has disorder","232930","2020-10-21","18:00:00",""
"1552984","10.4663","0.0003","42.4866","0.0016","25.4339","0.0009","90","","113.902","0.003","90","","10339.9","0.7","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 F6 N O10 P -","- C39 H45 F6 N O10 P -","- C312 H360 F48 N8 O80 P8 -","8","2","","Zheng, Bo; Klautzsch, Fabian; Xue, Min; Huang, Feihe; Schalley, Christoph A.","Self-sorting of crown ether/secondary ammonium ion hetero-[c2]daisy chain pseudorotaxanes","Org. Chem. Front.","2014","1","5","532","","10.1039/C4QO00064A","","","1.54184","CuKα","","0.1859","0.1501","","","0.3841","0.4125","","","","","","1.348","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552985","9.3761","0.0009","13.3939","0.0013","16.9447","0.0017","90","","101.929","0.002","90","","2082","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H73 Br N2 O -","- C46 H73 Br N2 O -","- C92 H146 Br2 N4 O2 -","2","0.5","","Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy","Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene]","Org. Chem. Front.","2014","1","4","351","","10.1039/C4QO00072B","","x-ray","0.71073","MoKα","","0.0886","0.0546","","","0.1034","0.1123","","","","","","1.043","","","","has coordinates,has disorder","232932","2020-10-21","18:00:00",""
"1552986","14.2658","0.0009","19.7423","0.0012","17.2861","0.0013","90","","104.823","0.002","90","","4706.4","0.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H70 Br6 N2 -","- C46 H70 Br6 N2 -","- C184 H280 Br24 N8 -","4","0.5","","Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy","Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene]","Org. Chem. Front.","2014","1","4","351","","10.1039/C4QO00072B","","x-ray","0.71073","MoKα","","0.0425","0.0263","","","0.052","0.0565","","","","","","1.025","","","","has coordinates","232932","2020-10-21","18:00:00",""
"1552987","9.5494","0.0005","12.1924","0.0006","17.6614","0.0008","86.558","0.002","84.548","0.002","76.62","0.002","1989.92","0.17","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H70 N2 -","- C46 H70 N2 -","- C92 H140 N4 -","2","1","","Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy","Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene]","Org. Chem. Front.","2014","1","4","351","","10.1039/C4QO00072B","","x-ray","0.71073","MoKα","","0.0467","0.0369","","","0.091","0.0956","","","","","","1.065","","","","has coordinates","232932","2020-10-21","18:00:00",""
"1552988","17.0807","0.0005","9.587","0.0003","20.1987","0.0006","90","","93.695","0.003","90","","3300.72","0.17","123","0.1","123","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Macrocycle + axle","","- C76 H88 I N7 O6 -","- C76 H88 I N7 O6 -","- C152 H176 I2 N14 O12 -","2","1","","Kaufmann, Lena; Traulsen, Nora L.; Springer, Andreas; Schröder, Hendrik V.; Mäkelä, Toni; Rissanen, Kari; Schalley, Christoph A.","Evaluation of multivalency as an organization principle for the efficient synthesis of doubly and triply threaded amide rotaxanes","Org. Chem. Front.","2014","1","5","521","","10.1039/C4QO00077C","","","1.5418","CuKα","","0.1058","0.1014","","","0.2315","0.2347","","","","","","1.117","","","","has coordinates,has disorder","232934","2020-10-21","18:00:00",""
"1552989","10.3015","0.0001","11.2459","0.0001","19.9126","0.0002","90","","90","","90","","2306.87","0.04","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Chen, Peng-Qiao; Xiao, You-Cai; Yue, Cai-Zhen; Chen, Ying-Chun","Trienamine catalysis with linear deconjugated 3,5-dienones","Org. Chem. Front.","2014","1","5","490","","10.1039/C4QO00079J","","","1.54184","CuKα","","0.0332","0.0328","","","0.0906","0.0912","","","","","","1.08","","","","has coordinates","232936","2020-10-21","18:00:00",""
"1552990","10.2605","0.0006","16.8131","0.0009","17.3175","0.001","101.471","0.005","103.442","0.005","99.53","0.005","2776.4","0.3","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C83 H34 Cl6 N2 O6 -","- C83 H32 Cl6 N2 O6 -","- C166 H64 Cl12 N4 O12 -","2","1","","Xu, Liang; Liang, Sisi; Gan, Liangbing","A green fullerene derivative as a fluoride ion sensor","Organic Chemistry Frontiers","2014","1","6","652","","10.1039/c4qo00111g","","","0.7107","MoKα","","0.1254","0.0992","","","0.2565","0.2844","","","","","","1.035","","","","has coordinates","232938","2020-10-21","18:00:00",""
"1552991","13.6381","0.0014","10.0676","0.0011","15.0801","0.0015","90","","91.542","0.002","90","","2069.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","Guo, Tenglong; Jiang, Quanbin; Huang, Fei; Chen, Jiping; Yu, Zhengkun","Palladium-catalyzed, copper-mediated construction of benzene rings from the reactions of indoles with in situ generated enones","Org. Chem. Front.","2014","1","6","707","","10.1039/C4QO00122B","","","0.71073","MoKα","","0.0652","0.0513","","","0.1237","0.1343","","","","","","1.055","","","","has coordinates","232940","2020-10-21","18:00:00",""
"1552992","8.8997","0.0014","9.2955","0.0015","11.9387","0.0019","79.341","0.003","78.262","0.003","83.259","0.003","947","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N O -","- C26 H19 N O -","- C52 H38 N2 O2 -","2","1","","Guo, Tenglong; Jiang, Quanbin; Huang, Fei; Chen, Jiping; Yu, Zhengkun","Palladium-catalyzed, copper-mediated construction of benzene rings from the reactions of indoles with in situ generated enones","Org. Chem. Front.","2014","1","6","707","","10.1039/C4QO00122B","","","0.71073","MoKα","","0.0555","0.0471","","","0.1344","0.1431","","","","","","1.058","","","","has coordinates","232940","2020-10-21","18:00:00",""
"1552993","6.6455","0.0002","14.068","0.0005","15.4102","0.0005","90","","90","","90","","1440.68","0.08","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Cl F N O3 -","- C17 H11 Cl F N O3 -","- C68 H44 Cl4 F4 N4 O12 -","4","1","","Liu, Yun-Lin; Liao, Fu-Min; Niu, Yan-Fei; Zhao, Xiao-Li; Zhou, Jian","Highly stereoselective construction of adjacent tetrasubstituted carbon stereogenic centres via an organocatalytic Mukaiyama-aldol reaction of monofluorinated silyl enol ethers to isatins","Organic Chemistry Frontiers","2014","1","7","742","","10.1039/C4QO00126E","","","0.71073","MoKα","","0.0426","0.0315","","","0.0651","0.0712","","","","","","1.03","","","","has coordinates","232941","2020-10-21","18:00:00",""
"1552994","8.1719","0.0015","6.8476","0.0012","12.493","0.002","90","","97.076","0.007","90","","693.8","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 F N O3 -","- C17 H14 F N O3 -","- C34 H28 F2 N2 O6 -","2","1","","Liu, Yun-Lin; Liao, Fu-Min; Niu, Yan-Fei; Zhao, Xiao-Li; Zhou, Jian","Highly stereoselective construction of adjacent tetrasubstituted carbon stereogenic centres via an organocatalytic Mukaiyama-aldol reaction of monofluorinated silyl enol ethers to isatins","Organic Chemistry Frontiers","2014","1","7","742","","10.1039/C4QO00126E","","","0.71073","MoKα","","0.1336","0.0627","","","0.1003","0.125","","","","","","1.05","","","","has coordinates","232941","2020-10-21","18:00:00",""
"1552995","5.5702","0.0014","24.243","0.006","17.573","0.005","90","","93.744","0.01","90","","2368","1.1","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C32 H24 O3 -","- C32 H24 O3 -","- C128 H96 O12 -","4","1","","Lebœuf, David; Gaydou, Morgane; Wang, Yahui; Echavarren, Antonio M.","Intermolecular reactions of gold(i)-carbenes with furans by related mechanisms","Org. Chem. Front.","2014","1","7","759","","10.1039/C4QO00130C","","","0.71073","MoKα","","0.1013","0.0547","","","0.1105","0.1281","","","","","","0.986","","","","has coordinates","232943","2020-10-21","18:00:00",""
"1552996","11.2685","0.0019","9.1961","0.0015","20.509","0.004","90","","92.368","0.006","90","","2123.5","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 O -","- C31 H22 O -","- C124 H88 O4 -","4","1","","Lebœuf, David; Gaydou, Morgane; Wang, Yahui; Echavarren, Antonio M.","Intermolecular reactions of gold(i)-carbenes with furans by related mechanisms","Org. Chem. Front.","2014","1","7","759","","10.1039/C4QO00130C","","","0.71073","MoKα","","0.1103","0.0614","","","0.1395","0.1581","","","","","","1.07","","","","has coordinates","232943","2020-10-21","18:00:00",""
"1552997","6.1046","0.0006","15.4141","0.0015","17.5871","0.0017","90","","90","","90","","1654.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Zhu, Jian-Bo; Chen, Hao; Wang, Lijia; Tang, Yong","Stereospecific synthesis of highly functionalized benzo[3.1.0]bicycloalkanes via multistep cascade reactions","Org. Chem. Front.","2014","1","8","965","","10.1039/C4QO00134F","","","0.71073","MoKα","","0.044","0.0362","","","0.0889","0.0936","","","","","","1.05","","","","has coordinates","232945","2020-10-21","18:00:00",""
"1552998","8.4091","0.0007","12.2759","0.0012","24.544","0.002","90","","90","","90","","2533.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H23 O3 P -","- C34 H23 O3 P -","- C136 H92 O12 P4 -","4","1","","Yu, Yue-Na; Xu, Ming-Hua","Design of a new series of chiral phosphite‒olefin ligands and their application in asymmetric catalysis","Organic Chemistry Frontiers","2014","1","7","738","","10.1039/C4QO00135D","","","0.71073","MoKα","","0.1527","0.0864","","","0.2094","0.2292","","","","","","1.053","","","","has coordinates","232947","2020-10-21","18:00:00",""
"1552999","10.354","0.004","10.811","0.004","18.781","0.007","77.136","0.005","88.021","0.005","64.81","0.004","1850.3","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 Cl6 O9 Ti3 -","- C24 H48 Cl6 O9 Ti3 -","- C48 H96 Cl12 O18 Ti6 -","2","1","","Zhang, Lili; Yu, Xiaying; Zhang, Lixin; Zhou, Xigeng; Lin, Yanghui","A simple and practical catalytic electron transfer system composed of TiCl4 and metallic Yb: application in carbonyl olefination and insight into the mechanism","Org. Chem. Front.","2014","1","8","929","","10.1039/C4QO00140K","","","0.71073","MoKα","","0.0938","0.0516","","","0.1046","0.1131","","","","","","1.003","","","","has coordinates","232950","2020-10-21","18:00:00",""
"1553000","13.085","0.005","12.063","0.005","23.777","0.009","90","","90","","90","","3753","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H44 Cl6 O6 Ti2 -","- C30 H44 Cl6 O6 Ti2 -","- C120 H176 Cl24 O24 Ti8 -","4","0.5","","Zhang, Lili; Yu, Xiaying; Zhang, Lixin; Zhou, Xigeng; Lin, Yanghui","A simple and practical catalytic electron transfer system composed of TiCl4 and metallic Yb: application in carbonyl olefination and insight into the mechanism","Org. Chem. Front.","2014","1","8","929","","10.1039/C4QO00140K","","","0.71073","MoKα","","0.1282","0.0641","","","0.1683","0.1906","","","","","","1.001","","","","has coordinates","232950","2020-10-21","18:00:00",""
"1553001","7.2517","0.0001","14.3878","0.0002","24.292","0.0004","90","","90","","90","","2534.53","0.06","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 N O3 Se -","- C27 H31 N O3 Se -","- C108 H124 N4 O12 Se4 -","4","1","","Godin, François; Duplessis, Martin; Buonomano, Cindy; Trinh, Thao; Houde, Karine; Chapdelaine, Daniel; Rodrigue, Jacques; Boutros, André; Guindon, Yvan","Stereocontrolled synthesis of propionate motifs froml-lactic andl-alanine aldehydes. A DFT study of the hydrogen transfer under endocyclic control","Org. Chem. Front.","2014","1","8","974","","10.1039/C4QO00142G","","","1.54178","CuKα","","0.0398","0.0349","","","0.0821","0.0841","","","","","","0.994","","","","has coordinates","232952","2020-10-21","18:00:00",""
"1553002","4.3822","0.0001","7.7125","0.0002","19.0393","0.0004","90","","90","","90","","643.48","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N O2 -","- C6 H9 N O2 -","- C24 H36 N4 O8 -","4","1","","Godin, François; Duplessis, Martin; Buonomano, Cindy; Trinh, Thao; Houde, Karine; Chapdelaine, Daniel; Rodrigue, Jacques; Boutros, André; Guindon, Yvan","Stereocontrolled synthesis of propionate motifs froml-lactic andl-alanine aldehydes. A DFT study of the hydrogen transfer under endocyclic control","Org. Chem. Front.","2014","1","8","974","","10.1039/C4QO00142G","","","1.54178","CuKα","","0.0392","0.0382","","","0.0933","0.0957","","","","","","1.109","","","","has coordinates","232952","2020-10-21","18:00:00",""
"1553003","12.818","0.003","14.788","0.003","16.847","0.003","72.67","0.03","86.64","0.03","84.12","0.03","3031.1","1.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C62 H54 B Cl8 F4 N O P2 Ru -","- C62 H54 B Cl8 F4 N O P2 Ru -","- C124 H108 B2 Cl16 F8 N2 O2 P4 Ru2 -","2","1","","Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping","1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols","Org. Chem. Front.","2014","1","9","1077","","10.1039/C4QO00152D","","","0.71073","MoKα","","0.0776","0.0598","","","0.1792","0.218","","","","","","0.974","","","","has coordinates","232954","2020-10-21","18:00:00",""
"1553004","13.1474","0.0008","13.1912","0.0007","20.2329","0.0012","80.722","0.005","87.504","0.005","63.196","0.006","3089.3","0.4","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C58 H54 B Cl10 F4 N O P2 Ru -","- C58 H54 B Cl10 F4 N O P2 Ru -","- C116 H108 B2 Cl20 F8 N2 O2 P4 Ru2 -","2","1","","Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping","1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols","Org. Chem. Front.","2014","1","9","1077","","10.1039/C4QO00152D","","","0.71073","MoKα","","0.0788","0.0619","","","0.1691","0.1808","","","","","","1.138","","","","has coordinates","232954","2020-10-21","18:00:00",""
"1553005","13.0587","0.0004","25.8151","0.0007","14.6635","0.0004","90","","95.876","0.003","90","","4917.3","0.2","173","","173","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C51 H46 B Cl4 F4 N O P2 Ru -","- C51 H46 B Cl4 F4 N O P2 Ru -","- C204 H184 B4 Cl16 F16 N4 O4 P8 Ru4 -","4","1","","Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping","1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols","Org. Chem. Front.","2014","1","9","1077","","10.1039/C4QO00152D","","","0.71073","MoKα","","0.0915","0.0712","","","0.1618","0.1736","","","","","","1.001","","","","has coordinates","232954","2020-10-21","18:00:00",""
"1553006","23.3968","0.0008","10.7057","0.0004","19.1358","0.0007","90","","90.758","0.003","90","","4792.7","0.3","173","","173","","","","","","","","","9","P 1 2/c 1","-P 2yc","13","","","","- C49.5 H45 B Cl5 F4 N O P2 Ru -","- C49.5 H45 B Cl5 F4 N O P2 Ru -","- C198 H180 B4 Cl20 F16 N4 O4 P8 Ru4 -","4","1","","Zhou, Xiaoxi; Zhang, Chunhong; Lin, Yumei; He, Xumin; Zhang, Yan; Wang, Jianbo; Xia, Haiping","1,2-Migration in the reactions of ruthenium vinyl carbene with propargyl alcohols","Org. Chem. Front.","2014","1","9","1077","","10.1039/C4QO00152D","","","0.71073","MoKα","","0.056","0.0448","","","0.1173","0.1221","","","","","","1.355","","","","has coordinates","232954","2020-10-21","18:00:00",""
"1553007","5.1955","0.0001","8.5856","0.0001","32.9171","0.0004","90","","90","","90","","1468.32","0.04","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","","Wang, Yong; Xu, Jing-Kun; Gu, Yonghong; Tian, Shi-Kai","Catalytic stereospecific allylation of protected hydrazines with enantioenriched primary allylic amines","Organic Chemistry Frontiers","2014","1","7","812","","10.1039/C4QO00155A","","","1.54184","CuKα","","0.0326","0.0316","","","0.1036","0.1062","","","","","","1.077","","","","has coordinates","232956","2020-10-21","18:00:00",""
"1553008","6.7701","0.0015","11.166","0.003","17.891","0.004","74.17","0.005","82.524","0.006","85.51","0.006","1288.8","0.5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H31 N3 O5 -","- C26 H31 N3 O5 -","- C52 H62 N6 O10 -","2","1","","Nakamura, Itaru; Jo, Takeru; Zhang, Dong; Terada, Masahiro","N-Allenylnitrone acts as 2-azadiene in the Cu-catalyzed cascade reaction of O-propargylic oximes with azodicarboxylates","Org. Chem. Front.","2014","1","8","914","","10.1039/C4QO00156G","","","0.71075","MoKα","","","0.0608","","","","0.1512","","","","","","1.022","","","","has coordinates","232958","2020-10-21","18:00:00",""
"1553009","5.9442","0.001","6.7813","0.0011","13.014","0.002","91.341","0.003","92.608","0.003","105.719","0.003","504.1","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 Br2 O4 -","- C22 H18 Br2 O4 -","- C22 H18 Br2 O4 -","1","0.5","","Tian, Bing; Liu, Qiang; Tong, Xiaofeng; Tian, Ping; Lin, Guo-Qiang","Copper(i)-catalyzed enantioselective hydroboration of cyclopropenes: facile synthesis of optically active cyclopropylboronates","Org. Chem. Front.","2014","1","9","1116","","10.1039/C4QO00157E","","","0.71073","MoKα","","0.0512","0.0424","","","0.1109","0.1174","","","","","","1.041","","","","has coordinates","232959","2020-10-21","18:00:00",""
"1553010","10.3013","0.0015","13.0206","0.0018","13.9427","0.0018","117.359","0.003","105.117","0.003","95.85","0.003","1548.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H27 Br N2 O2 S -","- C37 H27 Br N2 O2 S -","- C74 H54 Br2 N4 O4 S2 -","2","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.0952","0.056","","","0.1436","0.1669","","","","","","1.017","","","","has coordinates,has disorder","232961","2020-10-21","18:00:00",""
"1553011","12.32","0.0009","12.6141","0.001","21.9831","0.0017","90","","93.771","0.002","90","","3408.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 N2 O Si2 -","- C31 H44 N2 O Si2 -","- C124 H176 N8 O4 Si8 -","4","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.0824","0.0516","","","0.1329","0.1446","","","","","","1.003","","","","has coordinates","232961","2020-10-21","18:00:00",""
"1553012","11.876","0.004","7.462","0.003","24.973","0.008","90","","90","","90","","2213.1","1.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C112 H80 N16 -","8","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.08","0.056","","","0.1394","0.1549","","","","","","1.079","","","","has coordinates","232961","2020-10-21","18:00:00",""
"1553013","12.938","0.004","17.204","0.005","18.135","0.006","82.713","0.005","85.701","0.004","70.712","0.004","3777","2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H47 Br N2 O3 Si2 -","- C33 H47 Br N2 O3 Si2 -","- C132 H188 Br4 N8 O12 Si8 -","4","2","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.2878","0.0926","","","0.2264","0.3316","","","","","","0.93","","","","has coordinates,has disorder","232961","2020-10-21","18:00:00",""
"1553014","13.9802","0.0012","13.6497","0.0011","16.6352","0.0013","90","","104.443","0.002","90","","3074.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 Br N2 O2 S -","- C33 H35 Br N2 O2 S -","- C132 H140 Br4 N8 O8 S4 -","4","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.0656","0.0447","","","0.1059","0.1164","","","","","","1.033","","","","has coordinates","232961","2020-10-21","18:00:00",""
"1553015","9.4812","0.0019","10.0987","0.0019","13.636","0.003","74.849","0.005","80.124","0.005","67.332","0.004","1159.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C56 H48 N4 O4 -","2","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.1022","0.0498","","","0.1225","0.1466","","","","","","0.949","","","","has coordinates","232961","2020-10-21","18:00:00",""
"1553016","24.855","0.006","9.629","0.002","15.692","0.004","90","","96.85","0.005","90","","3728.7","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br F3 N O4 -","- C19 H15 Br F3 N O4 -","- C152 H120 Br8 F24 N8 O32 -","8","2","","Sang, Rui; Tang, Xiang-Ying; Shi, Min","Ozonation of methylenecyclopropanes","Org. Chem. Front.","2014","1","7","770","","10.1039/C4QO00160E","","","0.71073","MoKα","","0.1349","0.0674","","","0.1646","0.2046","","","","","","0.963","","","","has coordinates","232964","2020-10-21","18:00:00",""
"1553017","8.8435","0.0004","13.8908","0.0007","14.179","0.0006","90","","90","","90","","1741.8","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Ma, Dengke; Dai, Jianxin; Qiu, Youai; Fu, Chunling; Ma, Shengming","Gram scale synthesis of 7-methoxy-O-methylmukonal, clausine-O, clausine-K, clausine-H, 7-methoxymukonal, and methyl 2-hydroxy-7-methoxy-9H-carbazole-3-carboxylate","Organic Chemistry Frontiers","2014","1","7","782","","10.1039/C4QO00163J","","","1.54184","CuKα","","0.0514","0.0425","","","0.1074","0.117","","","","","","1.094","","","","has coordinates","232966","2020-10-21","18:00:00",""
"1553018","10.1723","0.0008","19.9258","0.0016","10.4443","0.0009","90","","90.467","0.002","90","","2116.9","0.3","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 N2 O5 -","- C22 H21 N2 O5 -","- C88 H84 N8 O20 -","4","2","","Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong","Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745","Org. Chem. Front.","2014","1","8","956","","10.1039/C4QO00165F","","","0.71073","MoKα","","0.0664","0.0645","","","0.1872","0.191","","","","","","1.154","","","","has coordinates","232968","2020-10-21","18:00:00",""
"1553019","21.9204","0.0005","21.9204","0.0005","14.1057","0.0004","90","","90","","90","","6777.8","0.3","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C32 H25 N6 O8 S2 -","- C32 H25 N6 O8 S2 -","- C256 H200 N48 O64 S16 -","8","1","","Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong","Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745","Org. Chem. Front.","2014","1","8","956","","10.1039/C4QO00165F","","","1.54178","CuKα","","0.1102","0.0941","","","0.2457","0.2633","","","","","","1.036","","","","has coordinates","232968","2020-10-21","18:00:00",""
"1553020","11.2563","0.0003","13.065","0.0003","14.4176","0.0004","87.383","0.002","69.786","0.002","66.908","0.001","1820.34","0.09","132","2","132","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cl4 N6 O8 S2 -","- C34 H28 Cl4 N6 O8 S2 -","- C68 H56 Cl8 N12 O16 S4 -","2","1","","Sun, Deqian; Xing, Changyu; Wang, Xiaoqing; Su, Zhongquan; Li, Chaozhong","Highly efficient and stereocontrolled oxidative coupling of tetrahydropyrroloindoles: synthesis of chimonanthines, (+)-WIN 64821 and (+)-WIN 64745","Org. Chem. Front.","2014","1","8","956","","10.1039/C4QO00165F","","","1.54178","CuKα","","0.0536","0.0468","","","0.1269","0.1399","","","","","","1.092","","","","has coordinates","232968","2020-10-21","18:00:00",""
"1553021","10.723","0.008","13.108","0.009","13.974","0.011","90","","100.869","0.008","90","","1929","2","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl Fe N4 -","- C42 H48 Cl Fe N4 -","- C84 H96 Cl2 Fe2 N8 -","2","1","","Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang","Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands","Org. Chem. Front.","2014","1","9","1040","","10.1039/C4QO00175C","","","0.71073","MoKα","","0.0895","0.0614","","","0.154","0.1777","","","","","","1.115","","","","has coordinates","232971","2020-10-21","18:00:00",""
"1553022","9.3521","0.0009","23.226","0.002","17.0545","0.0016","90","","97.944","0.002","90","","3668.9","0.6","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H55 Cl Fe N3 -","- C41 H55 Cl Fe N3 -","- C164 H220 Cl4 Fe4 N12 -","4","1","","Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang","Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands","Org. Chem. Front.","2014","1","9","1040","","10.1039/C4QO00175C","","","0.71073","MoKα","","0.0816","0.0428","","","0.0989","0.1139","","","","","","1.039","","","","has coordinates","232971","2020-10-21","18:00:00",""
"1553023","11.2282","0.0014","19.506","0.002","16.892","0.002","90","","97.31","0.002","90","","3669.6","0.7","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cl Fe N2 -","- C40 H62 Cl Fe N2 -","- C160 H248 Cl4 Fe4 N8 -","4","1","","Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang","Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands","Org. Chem. Front.","2014","1","9","1040","","10.1039/C4QO00175C","","","0.71073","MoKα","","0.0928","0.051","","","0.1262","0.1519","","","","","","1.009","","","","has coordinates","232971","2020-10-21","18:00:00",""
"1553024","12.8079","0.0012","13.0473","0.0012","25.151","0.002","93.467","0.002","102.677","0.002","109.051","0.002","3835.9","0.6","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H84 B F24 Fe N2 O -","- C76 H84 B F24 Fe N2 O -","- C152 H168 B2 F48 Fe2 N4 O2 -","2","1","","Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang","Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands","Org. Chem. Front.","2014","1","9","1040","","10.1039/C4QO00175C","","","0.71073","MoKα","","0.0792","0.0527","","","0.1298","0.1484","","","","","","1.007","","","","has coordinates,has disorder","232971","2020-10-21","18:00:00",""
"1553025","9.91","0.0003","12.6331","0.0004","13.0734","0.0004","90.23","0.001","111.217","0.001","111.642","0.001","1400.25","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N5 O2 S -","- C32 H33 N5 O2 S -","- C64 H66 N10 O4 S2 -","2","1","","Un, Hio-Ieng; Huang, Chang-Bo; Huang, Chusen; Jia, Ti; Zhao, Xiao-Li; Wang, Cui-Hong; Xu, Lin; Yang, Hai-Bo","A versatile fluorescent dye based on naphthalimide: highly selective detection of Hg2+in aqueous solution and living cells and its aggregation-induced emission behaviour","Org. Chem. Front.","2014","1","9","1083","","10.1039/C4QO00185K","","","0.71073","MoKα","","0.0586","0.0401","","","0.0982","0.1145","","","","","","1.031","","","","has coordinates","232973","2020-10-21","18:00:00",""
"1553026","6.9068","0.0005","34.826","0.002","20.4959","0.0011","90","","96.227","0.006","90","","4900.9","0.5","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 B O2 P -","- C13.5 H15 B0.5 O P0.5 -","- C108 H120 B4 O8 P4 -","8","2","","Wei, Junnian; Zhang, Yongliang; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and applications of 1-iodo-4-MgCl-1,3-dienes and 1-iodovinyl phenylmagnesium chlorides","Org. Chem. Front.","2014","1","8","983","","10.1039/C4QO00191E","","","1.54184","CuKα","","0.2312","0.0928","","","0.1582","0.2427","","","","","","0.947","","","","has coordinates","232974","2020-10-21","18:00:00",""
"1553027","9.398","0.004","10.644","0.004","18.906","0.008","90","","100.921","0.006","90","","1857","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F3 N O -","- C22 H18 F3 N O -","- C88 H72 F12 N4 O4 -","4","1","","Zhang, Li; Wang, Huiqing; Yang, Bo; Fan, Renhua","Imino exchange reaction in a dearomatization strategy: synthesis of N-acyl diarylamines and phenothiazines from two anilines","Org. Chem. Front.","2014","1","9","1055","","10.1039/C4QO00201F","","","0.71073","MoKα","","0.1096","0.0616","","","0.1495","0.172","","","","","","0.909","","","","has coordinates,has disorder","232976","2020-10-21","18:00:00",""
"1553028","8.012","0.002","13.115","0.004","15.516","0.005","102.467","0.003","104.463","0.004","98.556","0.003","1505.6","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 F3 N3 O5 S -","- C33 H30 F3 N3 O5 S -","- C66 H60 F6 N6 O10 S2 -","2","1","","Lei, Chuan-Hu; Zhao, Liang; Wang, De-Xian; Zhu, Jieping; Wang, Mei-Xiang","Functionalized imidazoliniums from the three-component domino reaction of N-formylmethylcarboxamides with amines and isocyanides","Org. Chem. Front.","2014","1","8","909","","10.1039/C4QO00203B","","","0.71073","MoKα","","0.053","0.0491","","","0.1246","0.1286","","","","","","1.112","","","","has coordinates","232977","2020-10-21","18:00:00",""
"1553029","9.0055","0.0013","15.94","0.002","14.422","0.002","90","","90.178","0.003","90","","2070.2","0.5","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl2 Fe N2 -","- C20 H26 Cl2 Fe N2 -","- C80 H104 Cl8 Fe4 N8 -","4","1","","Cao, Yanchun; Zhang, Yanlu; Zhang, Lei; Zhang, Dan; Leng, Xuebing; Huang, Zheng","Selective synthesis of secondary benzylic (Z)-allylboronates by Fe-catalyzed 1,4-hydroboration of 1-aryl-substituted 1,3-dienes","Org. Chem. Front.","2014","1","9","1101","","10.1039/C4QO00206G","","","0.71073","MoKα","","0.0996","0.0521","","","0.1","0.1152","","","","","","1.074","","","","has coordinates","232979","2020-10-21","18:00:00",""
"1553030","12.5511","0.001","14.2462","0.0012","17.4859","0.0014","90","","98.21","0.002","90","","3094.5","0.4","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Cl2 Fe N2 P -","- C32 H35 Cl2 Fe N2 P -","- C128 H140 Cl8 Fe4 N8 P4 -","4","1","","Cao, Yanchun; Zhang, Yanlu; Zhang, Lei; Zhang, Dan; Leng, Xuebing; Huang, Zheng","Selective synthesis of secondary benzylic (Z)-allylboronates by Fe-catalyzed 1,4-hydroboration of 1-aryl-substituted 1,3-dienes","Org. Chem. Front.","2014","1","9","1101","","10.1039/C4QO00206G","","","0.71073","MoKα","","0.0546","0.0342","","","0.0842","0.0926","","","","","","1.082","","","","has coordinates","232979","2020-10-21","18:00:00",""
"1553031","17.631","0.005","10.038","0.003","16.442","0.004","90","","111.334","0.005","90","","2710.5","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Cl2 Fe N2 P -","- C29 H29 Cl2 Fe N2 P -","- C116 H116 Cl8 Fe4 N8 P4 -","4","1","","Cao, Yanchun; Zhang, Yanlu; Zhang, Lei; Zhang, Dan; Leng, Xuebing; Huang, Zheng","Selective synthesis of secondary benzylic (Z)-allylboronates by Fe-catalyzed 1,4-hydroboration of 1-aryl-substituted 1,3-dienes","Org. Chem. Front.","2014","1","9","1101","","10.1039/C4QO00206G","","","0.71073","MoKα","","0.1291","0.0744","","","0.1682","0.1931","","","","","","1.093","","","","has coordinates,has disorder","232979","2020-10-21","18:00:00",""
"1553032","11.245","0.006","22.954","0.012","26.071","0.013","90","","100.618","0.008","90","","6614","6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C320 H320 N32 O16 -","16","4","","Song, Junjie; Fan, Congbin; Liu, Gang; Qiu, Guanyinsheng","Generation of 1-amino-isoquinoline-N-oxides via a tandem reaction of 2-alkynylbenzaldoxime with secondary amines in the presence of silver(i) and copper(i)","Org. Chem. Front.","2014","1","9","1045","","10.1039/C4QO00209A","","","0.71073","MoKα","","0.1339","0.0399","","","0.0674","0.0812","","","","","","0.698","","","","has coordinates","232981","2020-10-21","18:00:00",""
"1553033","13.204","0.0002","13.204","0.0002","11.5028","0.0001","90","","90","","120","","1736.78","0.04","100","2","99.99","","","","","","","","","4","P 32","P 32","145","","","","- C21 H28 N4 O -","- C21 H28 N4 O -","- C63 H84 N12 O3 -","3","1","","Ma, Gaoyuan; Sibi, Mukund P.","Enantioselective allylic amination of MBH carbonates catalyzed by novel chiral 4-dialkylaminopyridine catalysts","Org. Chem. Front.","2014","1","10","1152","","10.1039/C4QO00210E","","","1.54178","CuKα","","0.023","0.0226","","","0.0579","0.0582","","","","","","1.056","","","","has coordinates","232982","2020-10-21","18:00:00",""
"1553034","9.4812","0.0007","8.1107","0.0006","13.3671","0.0009","90","","106.9","0.007","90","","983.53","0.13","180","0.1","180","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H17 Br2 N O3 S -","- C21 H17 Br2 N O3 S -","- C42 H34 Br4 N2 O6 S2 -","2","1","","Liu, Cheng-Hang; Yu, Zhi-Xiang","Gold(i)- and platinum(iv)-catalyzed intramolecular annulations of allenes towards furans","Org. Chem. Front.","2014","1","10","1205","","10.1039/C4QO00223G","","","0.7107","MoKα","","0.0816","0.0628","","","0.1638","0.1843","","","","","","1.013","","","","has coordinates","232984","2020-10-21","18:00:00",""
"1553035","9.9037","0.0007","21.156","0.0015","12.948","0.001","90","","94.929","0.002","90","","2702.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Br Cl2 P -","- C29 H30 Br Cl2 P -","- C116 H120 Br4 Cl8 P4 -","4","1","","Zhu, Jian-Bo; Chen, Hao; Liao, Saihu; Li, Yu-Xue; Tang, Yong","A sidearm-assisted phosphine for catalytic ylide intramolecular cyclopropanation","Org. Chem. Front.","2014","1","9","1035","","10.1039/C4QO00232F","","","0.71073","MoKα","","0.0789","0.0524","","","0.134","0.149","","","","","","1.035","","","","has coordinates","232986","2020-10-21","18:00:00",""
"1553036","10.419","0.006","12.707","0.008","18.309","0.011","90","","103.667","0.013","90","","2355","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Br O P -","- C27 H26 Br O P -","- C108 H104 Br4 O4 P4 -","4","1","","Zhu, Jian-Bo; Chen, Hao; Liao, Saihu; Li, Yu-Xue; Tang, Yong","A sidearm-assisted phosphine for catalytic ylide intramolecular cyclopropanation","Org. Chem. Front.","2014","1","9","1035","","10.1039/C4QO00232F","","","0.71073","MoKα","","0.0472","0.0366","","","0.093","0.0981","","","","","","1.022","","","","has coordinates","232986","2020-10-21","18:00:00",""
"1553037","10.9121","0.0012","17.4195","0.0019","12.67","0.0015","90","","100.809","0.002","90","","2365.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Br O2 P -","- C28 H26 Br O2 P -","- C112 H104 Br4 O8 P4 -","4","1","","Zhu, Jian-Bo; Chen, Hao; Liao, Saihu; Li, Yu-Xue; Tang, Yong","A sidearm-assisted phosphine for catalytic ylide intramolecular cyclopropanation","Org. Chem. Front.","2014","1","9","1035","","10.1039/C4QO00232F","","","0.71073","MoKα","","0.0728","0.0419","","","0.1039","0.1169","","","","","","1.016","","","","has coordinates","232986","2020-10-21","18:00:00",""
"1553038","5.3668","0.0008","9.6287","0.0015","18.804","0.003","82.874","0.003","86.417","0.004","82.471","0.004","954.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 F3 O -","- C24 H19 F3 O -","- C48 H38 F6 O2 -","2","1","","Ji, Yun-Long; Lin, Jin-Hong; Xiao, Ji-Chang; Gu, Yu-Cheng","Copper-catalyzed tandem trifluoromethylation/cyclization of internal alkynes","Org. Chem. Front.","2014","1","11","1280","","10.1039/C4QO00240G","","","0.71073","MoKα","","0.0872","0.0619","","","0.1801","0.2022","","","","","","1.053","","","","has coordinates","232988","2020-10-21","18:00:00",""
"1553039","13.7485","0.0011","14.2439","0.0012","16.1369","0.0012","96.785","0.007","111.858","0.007","102.58","0.007","2792.4","0.4","145.2","0.3","145.2","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 Cl2 N10 O6 Zn2 -","- C44 H54 Cl2 N10 O6 Zn2 -","- C88 H108 Cl4 N20 O12 Zn4 -","2","1","","Xu, Hao-Ran; Li, Kun; Wang, Ming-Qi; Wang, Bo-Lin; Wang, Xin; Yu, Xiao-Qi","The dicyclen‒TPE zinc complex as a novel fluorescent ensemble for nanomolar pyrophosphate sensing in 100% aqueous solution","Org. Chem. Front.","2014","1","11","1276","","10.1039/C4QO00243A","","","0.71073","MoKα","","0.147","0.1131","","","0.3085","0.3414","","","","","","1.074","","","","has coordinates","232990","2020-10-21","18:00:00",""
"1553077","16.0231","0.0006","19.3117","0.0007","32.4862","0.0011","90","","91.744","0.002","90","","10047.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H82 Br2 Co N4 O4 -","- C48 H82 Br2 Co N4 O4 -","- C384 H656 Br16 Co8 N32 O32 -","8","2","","Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don","Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex.","Chemical science","2014","5","7","2874","2878","10.1039/C4SC00108G","","","0.71073","MoKα","","0.1685","0.0763","","","0.1918","0.229","","","","","","1.045","","","","has coordinates","233271","2020-10-21","18:00:00",""
"1553078","10.7544","0.0007","28.8912","0.0018","18.3199","0.0011","90","","97.037","0.001","90","","5649.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H92 Br2 Co N5 O5 -","- C54 H92 Br2 Co N5 O5 -","- C216 H368 Br8 Co4 N20 O20 -","4","1","","Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don","Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex.","Chemical science","2014","5","7","2874","2878","10.1039/C4SC00108G","","","0.71073","MoKα","","0.1103","0.0658","","","0.1542","0.1756","","","","","","1.037","","","","has coordinates","233271","2020-10-21","18:00:00",""
"1553079","18.491","0.0011","8.1781","0.0004","21.8017","0.0013","90","","93.873","0.003","90","","3289.4","0.3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H46 Br2 Co N3 O4 -","- C32 H44 Br2 Co N3 O4 -","- C128 H176 Br8 Co4 N12 O16 -","4","1","","Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don","Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex.","Chemical science","2014","5","7","2874","2878","10.1039/C4SC00108G","","","0.71073","MoKα","","0.0515","0.0319","","","0.0702","0.0767","","","","","","1.039","","","","has coordinates","233271","2020-10-21","18:00:00",""
"1553080","10.4432","0.0007","13.5068","0.0008","39.638","0.002","90","","95.944","0.004","90","","5561","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H82 Br2 Co N4 O4 -","- C56 H82 Br2 Co N4 O4 -","- C224 H328 Br8 Co4 N16 O16 -","4","1","","Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don","Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex.","Chemical science","2014","5","7","2874","2878","10.1039/C4SC00108G","","","0.71073","mokα","","0.1246","0.0826","","","0.2019","0.2241","","","","","","1.105","","","","has coordinates,has disorder","233271","2020-10-21","18:00:00",""
"1553081","18.7063","0.0012","11.4184","0.0007","13.9803","0.001","90","","90","","90","","2986.1","0.3","100.02","","100.02","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H44 Li N O3 Si -","- C33 H44 Li N O3 Si -","- C132 H176 Li4 N4 O12 Si4 -","4","1","","Brennan, Marshall R.; Kim, Dongyoung; Fout, Alison R.","A synthetic and mechanistic investigation into the cobalt(i) catalyzed amination of aryl halides","Chem. Sci.","2014","5","12","4831","","10.1039/C4SC01257G","","","0.71073","MoKα","","0.0331","0.0311","","","0.082","0.0837","","","","","","1.061","","","","has coordinates,has disorder","233275","2020-10-21","18:00:00",""
"1553082","9.28","0.002","12.256","0.003","18.651","0.004","98.324","0.003","91.537","0.003","106.636","0.003","2005.9","0.8","168.15","","168.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 Co N P2 Si2 -","- C42 H48 Co N P2 Si2 -","- C84 H96 Co2 N2 P4 Si4 -","2","1","","Brennan, Marshall R.; Kim, Dongyoung; Fout, Alison R.","A synthetic and mechanistic investigation into the cobalt(i) catalyzed amination of aryl halides","Chem. Sci.","2014","5","12","4831","","10.1039/C4SC01257G","","","0.71073","MoKα","","0.0765","0.0504","","","0.1305","0.149","","","","","","1.038","","","","has coordinates","233275","2020-10-21","18:00:00",""
"1556096","10.1695","0.0005","17.5711","0.0006","12.1157","0.0007","90","","90","","90","","2164.95","0.18","298","2","298","2","","","","","","","see text","4","P 2 21 21","P 2bc 2","18","","","","- C17 H32 N2 O5 -","- C17 H32 N2 O5 -","- C68 H128 N8 O20 -","4","1","","Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, Bhimareddy; Balaram, Padmanabhan; Guru Row, Tayur N.","Temperature-induced reversible first-order single crystal to single crystal phase transition in Boc-γ(4)(R)Val-Val-OH: interplay of enthalpy and entropy.","The journal of physical chemistry. A","2014","118","40","9568","9574","10.1021/jp506874q","","x-ray","0.71073","MoKα","","0.0699","0.0525","","","0.1225","0.1314","","","","","","1.052","","","","has coordinates","243456","2020-10-21","18:00:00",""
"1556097","9.8681","0.0014","17.5","0.002","12.2922","0.0012","90","","102.706","0.011","90","","2070.8","0.4","100","2","100","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C17 H32 N2 O5 -","- C17 H32 N2 O5 -","- C68 H128 N8 O20 -","4","2","","Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, Bhimareddy; Balaram, Padmanabhan; Guru Row, Tayur N.","Temperature-induced reversible first-order single crystal to single crystal phase transition in Boc-γ(4)(R)Val-Val-OH: interplay of enthalpy and entropy.","The journal of physical chemistry. A","2014","118","40","9568","9574","10.1021/jp506874q","","x-ray","0.71073","MoKα","","0.046","0.0386","","","0.0872","0.0892","","","","","","1.032","","","","has coordinates","243457","2020-10-21","18:00:00",""
"1556098","11.2339","0.0003","6.2411","0.0002","11.7846","0.0003","90","","116.682","0.001","90","","738.26","0.04","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H15 Br2 Cl3 O -","- C10 H15 Br2 Cl3 O -","- C20 H30 Br4 Cl6 O2 -","2","1","","Motti, Cherie A.; Thomas-Hall, Peter; Hagiwara, Kehau A.; Simmons, Charles J.; Willis, Rick; Wright, Anthony D.","Accelerated identification of halogenated monoterpenes from Australian specimens of the red algae Plocamium hamatum and Plocamium costatum.","Journal of natural products","2014","77","5","1193","1200","10.1021/np500059h","","","0.71069","MoKα","","","0.0374","","","","0.0419","","","","","","1.053","","","","has coordinates","243461","2020-10-21","18:00:00",""
"1556254","30.9982","0.0004","11.381","0.0001","11.1291","0.0001","90","","90","","90","","3926.24","0.07","130","0.1","130","0.1","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C16 H30 O3 Si2 -","- C16 H30 O3 Si2 -","- C128 H240 O24 Si16 -","8","1","","Bender, Tobias; Loits, Darran; White, Jonathan M.; Rizzacasa, Mark A.","Synthesis of the C1-C18 fragment of rhizopodin: late-state introduction of the oxazole.","Organic letters","2014","16","5","1450","1453","10.1021/ol500261n","","","1.5418","CuKα","","0.0309","0.03","","","0.0777","0.0785","","","","","","1.077","","","","has coordinates,has disorder","243600","2020-10-21","18:00:00",""
"1556255","10.504","0.009","12.325","0.012","21.276","0.019","90","","90","","90","","2754","4","293","2","293","2","","","","","","","see text","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C120 H160 O32 -","8","1","","Das, Dipendu; Kant, Ruchir; Chakraborty, Tushar Kanti","An approach to a bislactone skeleton: a scalable total synthesis of (±)-penifulvin A.","Organic letters","2014","16","10","2618","2621","10.1021/ol500768w","","","0.71075","MoKα","","0.1288","0.1244","","","0.3384","0.3417","","","","","","1.141","","","","has coordinates","243601","2020-10-21","18:00:00",""
"1556256","12.413","0.005","9.758","0.004","13.526","0.006","90","","95.449","0.007","90","","1630.9","1.2","293","","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Naresh, Gunaganti; Kant, Ruchir; Narender, Tadigoppula","Copper(II) catalyzed expeditious synthesis of furoquinoxalines through a one-pot three-component coupling strategy.","Organic letters","2014","16","17","4528","4531","10.1021/ol502072k","","","0.71075","MoKα","","0.0702","0.0597","","","0.1737","0.1854","","","","","","1.113","","","","has coordinates","243602","2020-10-21","18:00:00",""
"1556386","9.2391","0.0003","17.1518","0.0006","22.2035","0.0006","90","","90","","90","","3518.53","0.19","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H27 N -","- C21 H27 N -","- C168 H216 N8 -","8","1","","Qiu, Youai; Ma, Dengke; Kong, Wangqing; Fu, Chunling; Ma, Shengming","Regiocontrolled 1,2-migration in cyclization of 1-(indol-2-yl)-3-alkyn-1-ols: (Ph3P)Au+vs. PtCl4","Org. Chem. Front.","2014","1","1","62","","10.1039/C3QO00006K","","","0.71073","MoKα","","0.0676","0.0479","","","0.1184","0.132","","","","","","1.026","","","","has coordinates","244429","2020-10-21","18:00:00",""
"1556387","13.1716","0.0007","8.3809","0.0005","20.39","0.0012","90","","127.363","0.004","90","","1789","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N -","- C21 H27 N -","- C84 H108 N4 -","4","1","","Qiu, Youai; Ma, Dengke; Kong, Wangqing; Fu, Chunling; Ma, Shengming","Regiocontrolled 1,2-migration in cyclization of 1-(indol-2-yl)-3-alkyn-1-ols: (Ph3P)Au+vs. PtCl4","Org. Chem. Front.","2014","1","1","62","","10.1039/C3QO00006K","","","0.71073","MoKα","","0.0875","0.0533","","","0.1332","0.1538","","","","","","1.022","","","","has coordinates","244429","2020-10-21","18:00:00",""
"1556388","9.129","0.0018","12.58","0.003","15.035","0.003","81.14","0.03","73.69","0.03","70.31","0.03","1556.9","0.7","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H40 -","- C40 H40 -","- C80 H80 -","2","1","","Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes","Org. Chem. Front.","2014","1","2","130","","10.1039/C3QO00019B","","","0.71073","MoKα","","0.1273","0.0554","","","0.118","0.1309","","","","","","1.01","","","","has coordinates","244430","2020-10-21","18:00:00",""
"1556389","35.265","0.007","19.026","0.004","21.174","0.004","90","","122.27","0.03","90","","12012","6","143","2","143","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C32 H56 -","- C32 H56 -","- C512 H896 -","16","2","","Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes","Org. Chem. Front.","2014","1","2","130","","10.1039/C3QO00019B","","","0.71073","MoKα","","0.1197","0.0548","","","0.1098","0.1208","","","","","","0.987","","","","has coordinates","244430","2020-10-21","18:00:00",""
"1556390","11.409","0.002","8.8005","0.0018","24.458","0.005","90","","102.84","0.03","90","","2394.3","0.9","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 O2 -","- C34 H24 O2 -","- C136 H96 O8 -","4","1","","Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes","Org. Chem. Front.","2014","1","2","130","","10.1039/C3QO00019B","","","0.71073","MoKα","","0.087","0.0744","","","0.1312","0.137","","","","","","1.217","","","","has coordinates","244430","2020-10-21","18:00:00",""
"1556391","9.1769","0.0018","10.289","0.002","14.62","0.003","90","","90","","90","","1380.4","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","","Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes","Org. Chem. Front.","2014","1","2","130","","10.1039/C3QO00019B","","","0.71073","MoKα","","0.0534","0.0499","","","0.121","0.1232","","","","","","1.168","","","","has coordinates,has disorder","244430","2020-10-21","18:00:00",""
"1556392","12.6639","0.0004","16.9311","0.0006","13.604","0.0004","90","","92.886","0.003","90","","2913.19","0.16","180.15","","180.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 -","- C40 H36 -","- C160 H144 -","4","1","","Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes","Org. Chem. Front.","2014","1","2","130","","10.1039/C3QO00019B","","","0.71073","MoKα","","0.059","0.0436","","","0.0997","0.109","","","","","","1.02","","","","has coordinates","244430","2020-10-21","18:00:00",""
"1556393","9.466","0.006","12.4249","0.0008","13.3396","0.0011","90","","90","","90","","1568.9","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Br N3 O -","- C16 H16 Br N3 O -","- C64 H64 Br4 N12 O4 -","4","1","","Fu, Niankai; Zhang, Long; Luo, Sanzhong; Cheng, Jin-Pei","Chiral primary amine catalysed asymmetric conjugate addition of azoles to α-substituted vinyl ketones","Org. Chem. Front.","2014","1","1","68","","10.1039/C3QO00027C","","","0.71073","MoKα","","0.0299","0.0286","","","0.0677","0.0684","","","","","","1.115","","","","has coordinates","244431","2020-10-21","18:00:00",""
"1556394","5.8858","0.0003","9.0384","0.0004","23.4473","0.0011","91.943","0.002","92.404","0.001","99.656","0.002","1227.54","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 Br2 N O4 -","- C25 H23 Br2 N O4 -","- C50 H46 Br4 N2 O8 -","2","1","","Xu, Xinfang; Guo, Xin; Han, Xingchun; Yang, Liping; Hu, Wenhao","Highly diasteroselective intermolecular 1,3-dipolar cycloaddition reactions of carbonyl ylides with aldimines to afford sterically disfavored cis-oxazolidines","Organic Chemistry Frontiers","2014","1","2","181","","10.1039/c3qo00040k","","","0.71073","MoKα","","0.0711","0.051","","","0.1304","0.1452","","","","","","1.032","","","","has coordinates","244432","2020-10-21","18:00:00",""
"1556395","17.548","0.004","24.274","0.005","14.468","0.003","90","","90","","90","","6163","2","173","2","173","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C74 H72 O12 -","- C74 H72 O12 -","- C296 H288 O48 -","4","0.5","","Xia, Yu-Xiang; Xie, Tao; Han, Ying; Chen, Chuan-Feng","Triptycene-derived calix[6]arene analogues: synthesis, structure and complexation with paraquat derivatives","Organic Chemistry Frontiers","2014","1","2","140","","10.1039/c3qo00055a","","","0.71073","MoKα","","0.1395","0.1251","","","0.3265","0.3503","","","","","","1.336","","","","has coordinates,has disorder","244433","2020-10-21","18:00:00",""
"1556396","11.466","0.002","11.708","0.002","13.256","0.003","69.828","0.009","73.892","0.009","72.609","0.009","1563.5","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H62 Cl6 O8 -","- C68 H62 Cl6 O8 -","- C68 H62 Cl6 O8 -","1","0.5","","Xia, Yu-Xiang; Xie, Tao; Han, Ying; Chen, Chuan-Feng","Triptycene-derived calix[6]arene analogues: synthesis, structure and complexation with paraquat derivatives","Organic Chemistry Frontiers","2014","1","2","140","","10.1039/c3qo00055a","","","0.71073","MoKα","","0.0925","0.0849","","","0.2311","0.2403","","","","","","1.028","","","","has coordinates,has disorder","244433","2020-10-21","18:00:00",""
"1556397","11.429","0.002","11.955","0.002","12.714","0.003","72.18","0.03","70.44","0.03","70.84","0.03","1508.2","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H60 O10 -","- C66 H60 O10 -","- C66 H60 O10 -","1","0.5","","Xia, Yu-Xiang; Xie, Tao; Han, Ying; Chen, Chuan-Feng","Triptycene-derived calix[6]arene analogues: synthesis, structure and complexation with paraquat derivatives","Organic Chemistry Frontiers","2014","1","2","140","","10.1039/c3qo00055a","","","0.71073","MoKα","","0.1111","0.0974","","","0.2766","0.2907","","","","","","1.099","","","","has coordinates","244433","2020-10-21","18:00:00",""
"1556398","11.493","0.002","11.851","0.002","12.708","0.003","71.48","0.03","71.12","0.03","72.93","0.03","1517.4","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H58 Br2 Cl4 O8 -","- C66 H58 Br2 Cl4 O8 -","- C66 H58 Br2 Cl4 O8 -","1","0.5","","Xia, Yu-Xiang; Xie, Tao; Han, Ying; Chen, Chuan-Feng","Triptycene-derived calix[6]arene analogues: synthesis, structure and complexation with paraquat derivatives","Organic Chemistry Frontiers","2014","1","2","140","","10.1039/c3qo00055a","","","0.71073","MoKα","","0.11","0.092","","","0.2566","0.2809","","","","","","1.138","","","","has coordinates,has disorder","244433","2020-10-21","18:00:00",""
"1556399","21.999","0.004","19.134","0.004","33.115","0.007","90","","98.09","0.03","90","","13800","5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H57 Cl15 O8 -","- C67 H57 Cl15 O8 -","- C536 H456 Cl120 O64 -","8","2","","Xia, Yu-Xiang; Xie, Tao; Han, Ying; Chen, Chuan-Feng","Triptycene-derived calix[6]arene analogues: synthesis, structure and complexation with paraquat derivatives","Organic Chemistry Frontiers","2014","1","2","140","","10.1039/c3qo00055a","","","0.71073","MoKα","","0.1855","0.1658","","","0.3414","0.3536","","","","","","1.303","","","","has coordinates","244433","2020-10-21","18:00:00",""
"1556400","6.427","0.0007","24.105","0.002","8.3807","0.0008","90","","98.77","0.008","90","","1283.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 O2 Si -","- C10 H18 O2 Si -","- C40 H72 O8 Si4 -","4","1","","Zhang, Xiaobing; Qiu, Youai; Fu, Chunling; Ma, Shengming","Highly selective 4-alkynoic acids synthesis via iron-mediated complete inversion of stereogenic carbon centers","Organic Chemistry Frontiers","2014","1","3","247","","10.1039/c3qo00066d","","","0.71073","MoKα","","0.1246","0.1016","","","0.2706","0.2869","","","","","","1.098","","","","has coordinates,has disorder","244435","2020-10-21","18:00:00",""
"1556401","31.9644","0.0012","18.8421","0.0007","19.9426","0.0008","90","","93.865","0.003","90","","11983.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52.7 H72.25 F12 N9.1 O9.4 P2 -","- C52.7 H67.5 F12 N9.1 O9.4 P2 -","- C421.6 H540 F96 N72.8 O75.2 P16 -","8","2","","Pun, Andrew B.; Gagnon, Kevin J.; Klivansky, Liana M.; Teat, Simon J.; Li, Zhan-Ting; Liu, Yi","Solvent-driven selective π-cation templating in dynamic assembly of interlocked molecules","Org. Chem. Front.","2014","1","2","167","","10.1039/C3QO00074E","","","0.7749","synchrotron","","0.0948","0.0747","","","0.1979","0.2139","","","","","","1.006","","","","has coordinates,has disorder","244436","2020-10-21","18:00:00",""
"1556402","13.9167","0.0006","25.8857","0.0009","30.7364","0.0011","90","","96.611","0.003","90","","10999","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94.2 H108.4 F36 N14.1 O13.8 P6 -","- C94.2 H108 F36 N14.1 O13.8 P6 -","- C376.8 H432 F144 N56.4 O55.2 P24 -","4","1","","Pun, Andrew B.; Gagnon, Kevin J.; Klivansky, Liana M.; Teat, Simon J.; Li, Zhan-Ting; Liu, Yi","Solvent-driven selective π-cation templating in dynamic assembly of interlocked molecules","Org. Chem. Front.","2014","1","2","167","","10.1039/C3QO00074E","","","0.7749","synchrotron","","0.1324","0.1088","","","0.2863","0.3083","","","","","","1.036","","","","has coordinates,has disorder","244436","2020-10-21","18:00:00",""
"1556403","8.7371","0.0017","9.2269","0.0018","12.186","0.002","89.9","0.03","72.14","0.03","80.18","0.03","920","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 O2 S -","- C21 H22 O2 S -","- C42 H44 O4 S2 -","2","1","","Peng, Lingling; Zhang, Xiu; Ma, Jie; Wang, Jianbo","Ru(ii)-catalyzed rearrangement of the allenic sulfide bearing propargyl moiety: efficient formation of benzene derivatives","Org. Chem. Front.","2014","1","3","235","","10.1039/C4QO00001C","","","0.71073","MoKα","","0.0909","0.0533","","","0.1242","0.136","","","","","","1.052","","","","has coordinates","244780","2020-10-21","18:00:00",""
"1556404","15.3067","0.0009","12.1443","0.0007","18.1692","0.001","90","","90","","90","","3377.5","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C160 H168 N24 -","8","1","","Kuang, Jinqiang; Chen, Bo; Ma, Shengming","Copper-mediated efficient three-component synthesis of 1,2,4-triazoles from amines and nitriles","Org. Chem. Front.","2014","1","2","186","","10.1039/C4QO00007B","","","0.71073","MoKα","","0.068","0.0379","","","0.0804","0.0943","","","","","","1.026","","","","has coordinates","244781","2020-10-21","18:00:00",""
"1556405","12.2051","0.0011","18.0249","0.0018","8.7754","0.0008","90","","110.387","0.002","90","","1809.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 I N3 -","- C21 H16 I N3 -","- C84 H64 I4 N12 -","4","1","","Kuang, Jinqiang; Chen, Bo; Ma, Shengming","Copper-mediated efficient three-component synthesis of 1,2,4-triazoles from amines and nitriles","Org. Chem. Front.","2014","1","2","186","","10.1039/C4QO00007B","","","0.71073","MoKα","","0.0543","0.0392","","","0.0975","0.1069","","","","","","1.02","","","","has coordinates","244781","2020-10-21","18:00:00",""
"1556464","18.789","0.003","13.537","0.0016","13.1826","0.0016","90","","109.175","0.012","90","","3166.9","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Br O8 Ru2 -","- C32 H28 Br O8 Ru2 -","- C128 H112 Br4 O32 Ru8 -","4","0.5","","Delgado-Martinez, P.; Elvira-Bravo, A.; Gonzalez-Prieto, R.; Priego, J.L.; Jimenez-Aparicio, R.; Torres, M.R.","Synthesis of Ru2Br(mu-O2CC6H4-R)4 (R = o-Me, m-Me, p-Me) Using Microwave Activation: Structural and Magnetic Properties","Inorganics","2014","2","","524","536","10.3390/inorganics2030524","","","0.71073","MoKα","","0.0372","0.0266","","","0.0721","0.0804","","","","","","0.995","","","","has coordinates","244950","2020-10-21","18:00:00",""
"1556465","13.0936","0.0004","11.1271","0.0004","21.8306","0.0007","90","","98.071","0.003","90","","3149.08","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Br O8 Ru2 -","- C32 H28 Br O8 Ru2 -","- C128 H112 Br4 O32 Ru8 -","4","1","","Delgado-Martinez, P.; Elvira-Bravo, A.; Gonzalez-Prieto, R.; Priego, J.L.; Jimenez-Aparicio, R.; Torres, M.R.","Synthesis of Ru2Br(mu-O2CC6H4-R)4 (R = o-Me, m-Me, p-Me) Using Microwave Activation: Structural and Magnetic Properties","Inorganics","2014","2","","524","536","10.3390/inorganics2030524","","","0.71073","MoKα","","0.073","0.0445","","","0.1015","0.1206","","","","","","0.993","","","","has coordinates","244951","2020-10-21","18:00:00",""
"1556466","12.9939","0.0007","10.1996","0.0005","24.8297","0.0016","90","","94.623","0.005","90","","3280","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H28 Br O8 Ru2 -","- C32 H28 Br O8 Ru2 -","- C128 H112 Br4 O32 Ru8 -","4","0.5","","Delgado-Martinez, P.; Elvira-Bravo, A.; Gonzalez-Prieto, R.; Priego, J.L.; Jimenez-Aparicio, R.; Torres, M.R.","Synthesis of Ru2Br(mu-O2CC6H4-R)4 (R = o-Me, m-Me, p-Me) Using Microwave Activation: Structural and Magnetic Properties","Inorganics","2014","2","","524","536","10.3390/inorganics2030524","","","0.71073","MoKα","","0.071","0.0406","","","0.0711","0.0851","","","","","","0.997","","","","has coordinates","244952","2020-10-21","18:00:00",""
"1559906","10.5603","0.0005","10.7805","0.0005","18.3122","0.0008","90","","95.561","0.002","90","","2074.95","0.16","","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ-cyano)-tetracyano-nitrosyl-(3,3'-(piperazine-1,4-diyl) dipropan-1-amine)-iron(ii)-copper(ii)","","- C15 H24 Cu Fe N10 O -","- C15 H24 Cu Fe N10 O -","- C60 H96 Cu4 Fe4 N40 O4 -","4","1","","Smékal, Zdeněk; Maris, Thierry; Korabik, Maria","Structure and magnetic properties of binuclear [Cu(amppz) (μ-NC)Fe(CN)4NO] (amppz = 1,4-bis(3-aminopropyl) piperazine)","Journal of coordination chemistry","2014","67","","3167","3175","10.1080/00958972.2014.962524","","x-ray","1.54178","","","0.0488","0.0433","","","0.1107","0.1144","","","","","","","","","","has coordinates","260378","2021-01-02","17:02:16",""
"1562182","27.374","0.005","7.5696","0.0014","19.838","0.004","90","","111.862","0.002","90","","3815","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N3 Ni O7 -","- C20 H17 N3 Ni O7 -","- C160 H136 N24 Ni8 O56 -","8","1","","Li, Gui-Lian; Yin, Wei-Dong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya","Syntheses, structures and magnetic properties of four coordination polymers based on nitrobenzene dicarboxylate and various N-donor coligands","Journal of Solid State Chemistry","2014","220","","1","8","10.1016/j.jssc.2014.08.007","","","0.71073","MoKα","","0.0773","0.0434","","","0.1166","0.142","","","","","","0.899","","","","has coordinates","264621","2021-04-28","06:02:24",""
"1562183","10.0192","0.0016","27.598","0.004","17.5393","0.0019","90","","123.252","0.006","90","","4055.7","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Co2 N6 O14 -","- C42 H38 Co2 N6 O14 -","- C168 H152 Co8 N24 O56 -","4","1","","Li, Gui-Lian; Yin, Wei-Dong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya","Syntheses, structures and magnetic properties of four coordination polymers based on nitrobenzene dicarboxylate and various N-donor coligands","Journal of Solid State Chemistry","2014","220","","1","8","10.1016/j.jssc.2014.08.007","","","0.71073","MoKα","","0.0917","0.0495","","","0.1021","0.1189","","","","","","1.014","","","","has coordinates","264621","2021-04-28","06:02:25",""
"1562184","8.403","0.005","10.985","0.007","24.235","0.014","90","","90","","90","","2237","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N3 Ni O8 -","- C21 H21 N3 Ni O8 -","- C84 H84 N12 Ni4 O32 -","4","1","","Li, Gui-Lian; Yin, Wei-Dong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya","Syntheses, structures and magnetic properties of four coordination polymers based on nitrobenzene dicarboxylate and various N-donor coligands","Journal of Solid State Chemistry","2014","220","","1","8","10.1016/j.jssc.2014.08.007","","","0.71073","MoKα","","0.0471","0.0372","","","0.0758","0.0805","","","","","","1.032","","","","has coordinates","264621","2021-04-28","06:02:25",""
"1562185","10.212","0.0005","11.264","0.0006","11.8008","0.0008","106.962","0.005","98.287","0.005","97.359","0.004","1263.89","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Mn N7 O7 -","- C26 H20 Mn N7 O7 -","- C52 H40 Mn2 N14 O14 -","2","1","","Li, Gui-Lian; Yin, Wei-Dong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya","Syntheses, structures and magnetic properties of four coordination polymers based on nitrobenzene dicarboxylate and various N-donor coligands","Journal of Solid State Chemistry","2014","220","","1","8","10.1016/j.jssc.2014.08.007","","","0.71073","MoKα","","0.0546","0.0411","","","0.0935","0.1029","","","","","","1.036","","","","has coordinates","264621","2021-04-28","06:02:25",""
"1562186","4.3227","0.0005","4.3227","0.0005","16.485","0.003","90","","90","","120","","266.77","0.07","293","2","293","0.2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ga9.93 Pr1.42 Pt4 -","- Ga9.932 Pr1.416 Pt4 -","- Ga9.932 Pr1.416 Pt4 -","1","0.0416667","","Doan Nguyen, Sau; Ryan, Kevin; Chai, Ping; Shatruk, Michael; Xin, Yan; Chapman, Karena W.; Chupas, Peter J.; Fronczek, Frank R.; Macaluso, Robin T.","Pr1.33Pt4Ga10: Superstructure and magnetism","Journal of Solid State Chemistry","2014","220","","9","16","10.1016/j.jssc.2014.07.033","","","0.71073","MoKα","","0.0388","0.0332","","","0.0776","0.0812","","","","","","1.144","","","","has coordinates","264622","2021-04-28","07:28:20",""
"1562187","10.192","0.004","10.192","0.004","2.9764","0.0013","90","","90","","90","","309.2","0.2","150","2","150","2","","","","","","","","4","I 4/m","-I 4","87","Potassium Titanium Nickel Oxide","Potassium Titanium Nickel Oxide","","- K1.55 Ni0.78 O16 Ti7.22 -","- K1.552 Ni0.776 O16 Ti7.224 -","- K1.552 Ni0.776 O16 Ti7.224 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","","","0.71073","MoKα","","0.0211","0.0175","","","0.0395","0.0405","","","","","","1","","","","has coordinates","264623","2021-04-28","07:38:17",""
"1562188","10.244","0.002","10.244","0.002","3.0077","0.0007","90","","90","","90","","315.63","0.11","149","2","149","2","","","","","","","","4","I 4/m","-I 4","87","Potassium Titanium Scandium Oxide","Potassium Titanium Scandium Oxide","","- K1.51 O16 Sc1.51 Ti6.49 -","- K1.512 O16 Sc1.512 Ti6.488 -","- K1.512 O16 Sc1.512 Ti6.488 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","","","0.71073","MoKα","","0.022","0.0191","","","0.0433","0.0443","","","","","","1","","","","has coordinates","264623","2021-04-28","07:38:20",""
"1562189","10.141","0.006","10.141","0.006","2.9637","0.0017","90","","90","","90","","304.8","0.3","150","2","150","2","","","","","","","","4","I 4/m","-I 4","87","Potassium Titanium Chromium Oxide","Potassium Titanium Chromium Oxide","","- Cr1.54 K1.54 O16 Ti6.46 -","- Cr1.544 K1.54 O16 Ti6.456 -","- Cr1.544 K1.54 O16 Ti6.456 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","","","0.71073","MoKα","","0.0304","0.0242","","","0.0498","0.0513","","","","","","1.117","","","","has coordinates","264623","2021-04-28","07:38:20",""
"1562190","10.1539","0.0008","10.1539","0.0008","2.9684","0.0002","90","","90","","90","","306.05","0.04","149","2","149","2","","","","","","","","4","I 4/m","-I 4","87","Potassium titanium vanadium oxide","Potassium titanium vanadium oxide","","- K1.6 O16 Ti6.4 V1.6 -","- K1.602 O16 Ti6.3992 V1.6008 -","- K1.602 O16 Ti6.3992 V1.6008 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","","","0.71073","MoKα","","0.014","0.0136","","","0.0358","0.036","","","","","","1","","","","has coordinates","264623","2021-04-28","07:38:20",""
"1562191","10.2386","0.0017","10.2386","0.0017","2.9794","0.0005","90","","90","","90","","312.33","0.09","150","2","150","2","","","","","","","","3","I 4/m","-I 4","87","Potassium titanium oxide","Potassium titanium oxide","","- K1.36 O16 Ti8 -","- K1.38 O16 Ti8 -","- K1.38 O16 Ti8 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","","","0.71073","MoKα","","0.0158","0.0147","","","0.0391","0.0396","","","","","","1","","","","has coordinates","264623","2021-04-28","07:38:20",""
"1562192","10.153214","0.000097","10.153214","0.000097","2.96732","0.000033","90","","90","","90","","305.894","0.005","300","","300","","","","","","","","Synthesized","4","I 4/m","-I 4","87","","","","- Fe1.52 K1.53 O16 Ti6.48 -","- Fe1.52 K1.53 O16 Ti6.48 -","- Fe1.52 K1.53 O16 Ti6.48 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","2.011","1.63","","","","","","","has coordinates","264624","2021-04-28","07:41:06",""
"1562193","10.185483","0.00006","10.185483","0.00006","2.953156","0.000021","90","","90","","90","","306.372","0.003","300","","300","","","","","","","","Synthesized","4","I 4/m","-I 4","87","","","","- K1.4 Mn1.36 O16 Ti6.64 -","- K1.398 Mn1.36 O16 Ti6.64 -","- K1.398 Mn1.36 O16 Ti6.64 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","1.81","1.61","","","","","","","has coordinates","264624","2021-04-28","07:41:16",""
"1562194","10.15689","0.00011","10.15689","0.00011","2.96478","0.000036","90","","90","","90","","305.854","0.006","300","","300","","","","","","","","Synthesized","4","I 4/m","-I 4","87","","","","- Co0.73 K1.47 O16 Ti7.27 -","- Co0.728 K1.474 O16 Ti7.272 -","- Co0.728 K1.474 O16 Ti7.272 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","1.094","1.59","","","","","","","has coordinates","264624","2021-04-28","07:41:18",""
"1562195","10.146517","0.000033","10.146517","0.000033","2.963254","0.000018","90","","90","","90","","305.072","0.002","300","","300","","","","","","","","Synthesized","4","I 4/m","-I 4","87","","","","- K1.63 Ni0.76 O16 Ti7.24 -","- K1.626 Ni0.76 O16 Ti7.24 -","- K1.626 Ni0.76 O16 Ti7.24 -","1","0.0625","","Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.","Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni","Journal of Solid State Chemistry","2014","220","","45","53","10.1016/j.jssc.2014.08.012","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","3.816","1.87","","","","","","","has coordinates","264624","2021-04-28","07:41:20",""
"1562196","7.1419","0.0001","9.3541","0.0002","13.6249","0.0003","99.665","0.001","102.179","0.0011","108.966","0.001","813.45","0.03","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H17 Ag N2 O7 S -","- C13 H17 Ag N2 O7 S -","- C26 H34 Ag2 N4 O14 S2 -","2","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Yeşilöz, Yeşim; Şahin, Onur","One- and three-dimensional silver(I)-5-sulfosalicylate coordination polymers having ligand-supported and unsupported argentophilic interactions","Journal of Solid State Chemistry","2014","220","","70","78","10.1016/j.jssc.2014.08.009","","","0.71073","MoKα","","0.0325","0.0316","","","0.0854","0.0863","","","","","","1.081","","","","has coordinates,has disorder","264627","2021-04-28","07:49:37",""
"1562197","8.5285","0.0001","11.0038","0.0001","12.9936","0.0002","102.965","0.001","94.142","0.0011","90.431","0.001","1184.85","0.03","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Ag2 N4 O10 S -","- C20 H22 Ag2 N4 O10 S -","- C40 H44 Ag4 N8 O20 S2 -","2","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Yeşilöz, Yeşim; Şahin, Onur","One- and three-dimensional silver(I)-5-sulfosalicylate coordination polymers having ligand-supported and unsupported argentophilic interactions","Journal of Solid State Chemistry","2014","220","","70","78","10.1016/j.jssc.2014.08.009","","","0.71073","MoKα","","0.0343","0.0327","","","0.0914","0.0941","","","","","","1.07","","","","has coordinates","264627","2021-04-28","07:49:37",""
"1562198","8.9478","0.0001","10.817","0.0002","11.9761","0.0002","86.496","0.001","68.433","0.0011","66.554","0.001","984.05","0.03","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Ag2 N3 O8 S -","- C16 H20 Ag2 N3 O8 S -","- C32 H40 Ag4 N6 O16 S2 -","2","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Yeşilöz, Yeşim; Şahin, Onur","One- and three-dimensional silver(I)-5-sulfosalicylate coordination polymers having ligand-supported and unsupported argentophilic interactions","Journal of Solid State Chemistry","2014","220","","70","78","10.1016/j.jssc.2014.08.009","","","0.71073","MoKα","","0.0269","0.0253","","","0.069","0.0702","","","","","","1.056","","","","has coordinates","264627","2021-04-28","07:49:37",""
"1562199","9.6198","0.0002","14.8828","0.0003","26.3832","0.0005","90","","90","","90","","3777.27","0.13","296","","296","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H24 Ag2 N2 O6 S -","- C15 H24 Ag2 N2 O6 S -","- C120 H192 Ag16 N16 O48 S8 -","8","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Yeşilöz, Yeşim; Şahin, Onur","One- and three-dimensional silver(I)-5-sulfosalicylate coordination polymers having ligand-supported and unsupported argentophilic interactions","Journal of Solid State Chemistry","2014","220","","70","78","10.1016/j.jssc.2014.08.009","","","0.71073","MoKα","","0.1066","0.0509","","","0.1076","0.1357","","","","","","1.018","","","","has coordinates,has disorder","264627","2021-04-28","07:49:37",""
"1562200","11.5085","0.0006","8.3805","0.0003","11.675","0.0006","90","","111.147","0.006","90","","1050.19","0.1","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- F O10 Rb2 Sc Si4 -","- F O10 Rb2 Sc Si4 -","- F4 O40 Rb8 Sc4 Si16 -","4","1","","Kahlenberg, Volker; Manninger, Tanja; Perfler, Lukas; Többens, Daniel M.","One-pot occurrence of two polymorphs of Rb 2 Sc[Si 4 O 10 ]F and their structural, spectroscopic and computational characterization","Journal of Solid State Chemistry","2014","220","","79","90","10.1016/j.jssc.2014.08.002","","","0.71073","MoKα","","0.028","0.0249","","","0.0607","0.0616","","","","","","1.2","","","","has coordinates","264629","2021-04-28","08:00:24",""
"1562201","11.2619","0.0003","11.2619","0.0003","8.3053","0.0004","90","","90","","90","","1053.36","0.06","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- F O10 Rb2 Sc Si4 -","- F O10 Rb2 Sc Si4 -","- F4 O40 Rb8 Sc4 Si16 -","4","0.25","","Kahlenberg, Volker; Manninger, Tanja; Perfler, Lukas; Többens, Daniel M.","One-pot occurrence of two polymorphs of Rb 2 Sc[Si 4 O 10 ]F and their structural, spectroscopic and computational characterization","Journal of Solid State Chemistry","2014","220","","79","90","10.1016/j.jssc.2014.08.002","","","0.71073","MoKα","","0.0235","0.0231","","","0.0581","0.0585","","","","","","1.154","","","","has coordinates","264629","2021-04-28","08:00:30",""
"1562202","19.5086","0.0012","4.3906","0.0003","11.8646","0.0006","90","","92.972","0.005","90","","1014.89","0.11","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[MnSb2S4(N2H4)2]","","","- H8 Mn N4 S4 Sb2 -","- H8 Mn N4 S4 Sb2 -","- H32 Mn4 N16 S16 Sb8 -","4","0.5","","Nie, Lina; Xiong, Wei-Wei; Li, Peizhou; Han, Jianyu; Zhang, Guodong; Yin, Shengming; Zhao, Yanli; Xu, Rong; Zhang, Qichun","Surfactant-thermal method to prepare two novel two-dimensional Mn‒Sb‒S compounds for photocatalytic applications","Journal of Solid State Chemistry","2014","220","","118","123","10.1016/j.jssc.2014.08.018","","","0.71073","MoKα","","0.0384","0.0277","","","0.0521","0.0579","","","","","","0.924","","","","has coordinates","264631","2021-04-28","08:06:47",""
"1562203","19.5792","0.0009","15.3226","0.0005","10.7599","0.0004","90","","110.455","0.004","90","","3024.5","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mn(tepa)Sb6S10]","","","- C0 H0 Mn0.5 N0 S5 Sb3 -","- Mn0.5 S5 Sb3 -","- Mn4 S40 Sb24 -","8","1","","Nie, Lina; Xiong, Wei-Wei; Li, Peizhou; Han, Jianyu; Zhang, Guodong; Yin, Shengming; Zhao, Yanli; Xu, Rong; Zhang, Qichun","Surfactant-thermal method to prepare two novel two-dimensional Mn‒Sb‒S compounds for photocatalytic applications","Journal of Solid State Chemistry","2014","220","","118","123","10.1016/j.jssc.2014.08.018","","","0.71073","MoKα","","0.0743","0.0611","","","0.1743","0.1874","","","","","","1.038","","","","has coordinates","264631","2021-04-28","08:06:48",""
"1562204","5.2312","0.001","5.055","0.001","8.8079","0.0018","90","","90","","90","","232.91","0.08","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Co Mo O6 Te -","- Co Mo O6 Te -","- Co2 Mo2 O12 Te2 -","2","0.5","","Mączka, Mirosław; Hermanowicz, Krzysztof; Majchrowski, Andrzej; Kroenke, Łukasz; Pietraszko, Adam; Ptak, Maciej","Growth and characterization of nonlinear optical telluromolybdate CoTeMoO 6 single crystals","Journal of Solid State Chemistry","2014","220","","142","148","10.1016/j.jssc.2014.08.023","","","0.71073","MoKα","","0.0445","0.0437","","","0.1","0.1003","","","","","","1.44","","","","has coordinates","264632","2021-04-28","08:21:54",""
"1562205","5.2427","0.001","5.0621","0.0011","8.8464","0.0018","90","","90","","90","","234.78","0.08","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Co Mo O6 Te -","- Co Mo O6 Te -","- Co2 Mo2 O12 Te2 -","2","0.5","","Mączka, Mirosław; Hermanowicz, Krzysztof; Majchrowski, Andrzej; Kroenke, Łukasz; Pietraszko, Adam; Ptak, Maciej","Growth and characterization of nonlinear optical telluromolybdate CoTeMoO 6 single crystals","Journal of Solid State Chemistry","2014","220","","142","148","10.1016/j.jssc.2014.08.023","","","0.71073","MoKα","","0.0426","0.0416","","","0.0929","0.0935","","","","","","1.223","","","","has coordinates","264632","2021-04-28","08:21:55",""
"1562206","7.7836","0.0007","8.8337","0.0008","10.5814","0.001","73.478","0.002","69.508","0.001","78.549","0.002","649.4","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H16 Cu N2 O7 -","- C9 H16 Cu N2 O7 -","- C18 H32 Cu2 N4 O14 -","2","1","","Manna, Prankrishna; Ray Choudhury, Somnath; Mitra, Monojit; Kumar Seth, Saikat; Helliwell, Madeleine; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","A combined experimental and theoretical study of the supramolecular self-assembly of Cu(II) malonate complex assisted by various weak forces and water dimer","Journal of Solid State Chemistry","2014","220","","149","156","10.1016/j.jssc.2014.08.019","","","0.71073","MoKα","","0.0335","0.0314","","","0.0817","0.083","","","","","","1.058","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1562207","13.4452","0.0002","13.4452","0.0002","63.725","0.002","90","","90","","120","","9976.4","0.4","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H50 Ag14 I16 N8 -","- C24 H50 Ag14 I16 N8 -","- C144 H300 Ag84 I96 N48 -","6","0.166667","","Zhang, Ren-Chun; Zhang, You-Juan; Yuan, Bai-Qing; Miao, Jun-Peng; Pei, Bao-Hua; Liu, Pan-Pan; Wang, Jun-Jie; Zhang, Dao-Jun","Transformation of dense AgI into a silver-rich framework iodide using thiophenol as mineralizer","Journal of Solid State Chemistry","2014","220","","185","190","10.1016/j.jssc.2014.08.036","","","0.71073","MoKα","","0.0592","0.0541","","","0.1738","0.1801","","","","","","1.086","","","","has coordinates","264635","2021-04-28","09:19:45",""
"1562208","11.2342","0.0003","18.4569","0.0007","19.1299","0.0006","90","","90","","90","","3966.6","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N3 Na O6 Zn -","- C18 H18 N3 Na O6 Zn -","- C144 H144 N24 Na8 O48 Zn8 -","8","1","","Zhang, Shu-Hua; Zhao, Ru-Xiao; Li, Gui; Zhang, Hai-Yang; Huang, Qiu-Ping; Liang, Fu-Pei","Room temperature syntheses, crystal structures and properties of two new heterometallic polymers based on 3-ethoxy-2-hydroxybenzaldehyde ligand","Journal of Solid State Chemistry","2014","220","","206","212","10.1016/j.jssc.2014.08.032","","","0.71073","MoKα","","0.0552","0.0382","","","0.0825","0.0903","","","","","","1.04","","","","has coordinates","264636","2021-04-28","09:24:31",""
"1562209","9.1976","0.0018","9.39","0.002","10.64","0.002","64.87","0.02","69.441","0.019","65.634","0.019","740.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cu3 N18 Na2 O6 -","- C18 H18 Cu3 N18 Na2 O6 -","- C18 H18 Cu3 N18 Na2 O6 -","1","0.5","","Zhang, Shu-Hua; Zhao, Ru-Xiao; Li, Gui; Zhang, Hai-Yang; Huang, Qiu-Ping; Liang, Fu-Pei","Room temperature syntheses, crystal structures and properties of two new heterometallic polymers based on 3-ethoxy-2-hydroxybenzaldehyde ligand","Journal of Solid State Chemistry","2014","220","","206","212","10.1016/j.jssc.2014.08.032","","","0.71073","MoKα","","0.1634","0.0896","","","0.2045","0.2453","","","","","","1.007","","","","has coordinates","264636","2021-04-28","09:24:37",""
"1562210","11.742","0.0004","5.4039","0.0002","25.1993","0.0009","90","","108.405","0.002","90","","1517.17","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Bi14 O31 V4 -","- Bi14 O31 V4 -","- Bi28 O62 V8 -","2","0.5","","Đorđević, T.; Karanović, Lj.","A new anion-deficient fluorite-related superstructure of Bi 28 V 8 O 62","Journal of Solid State Chemistry","2014","220","","259","269","10.1016/j.jssc.2014.09.010","","","0.71069","MoKα","","0.033","0.0261","","","0.0567","0.0598","","","","","","1.061","","","","has coordinates","264637","2021-04-28","09:31:47",""
"1562211","10.384","0.0015","10.384","0.0015","3.952","0.0008","90","","90","","120","","369.04","0.11","100","2","100","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C3 H3 Dy O6 -","- C3 H3 Dy O6 -","- C9 H9 Dy3 O18 -","3","0.166667","","Zhang, Yingjie; Bhadbhade, Mohan; Scales, Nicholas; Karatchevtseva, Inna; Price, Jason R.; Lu, Kim; Lumpkin, Gregory R.","Dysprosium complexes with mono-/di-carboxylate ligands—From simple dimers to 2D and 3D frameworks","Journal of Solid State Chemistry","2014","219","","1","8","10.1016/j.jssc.2014.07.007","","","0.7108","Synchrotron","","0.0091","0.0091","","","0.0231","0.0231","","","","","","0.831","","","","has coordinates","264638","2021-04-28","09:37:22",""
"1562212","8.8173","0.0004","14.1359","0.0006","23.9018","0.001","90","","97.781","0.0018","90","","2951.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9.75 H20.5 Dy O8.5 -","- C9.75 H20.5 Dy O8.5 -","- C78 H164 Dy8 O68 -","8","2","","Zhang, Yingjie; Bhadbhade, Mohan; Scales, Nicholas; Karatchevtseva, Inna; Price, Jason R.; Lu, Kim; Lumpkin, Gregory R.","Dysprosium complexes with mono-/di-carboxylate ligands—From simple dimers to 2D and 3D frameworks","Journal of Solid State Chemistry","2014","219","","1","8","10.1016/j.jssc.2014.07.007","","","0.71073","MoKα","","0.025","0.021","","","0.0443","0.0461","","","","","","1.065","","","","has coordinates,has disorder","264639","2021-04-28","09:38:29",""
"1562213","10.96","0.002","9.533","0.0019","9.974","0.002","90","","114.29","0.03","90","","949.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C3 Dy O11 -","- C3 Dy O11 -","- C12 Dy4 O44 -","4","1","","Zhang, Yingjie; Bhadbhade, Mohan; Scales, Nicholas; Karatchevtseva, Inna; Price, Jason R.; Lu, Kim; Lumpkin, Gregory R.","Dysprosium complexes with mono-/di-carboxylate ligands—From simple dimers to 2D and 3D frameworks","Journal of Solid State Chemistry","2014","219","","1","8","10.1016/j.jssc.2014.07.007","","","0.7108","Synchrotron","","0.03","0.0289","","","0.0765","0.0771","","","","","","1.358","","","","has coordinates","264640","2021-04-28","09:39:27",""
"1562214","14.148","0.003","14.069","0.003","8.967","0.0018","90","","100.55","0.03","90","","1754.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8.5 H16 Dy O8 -","- C8.5 H16 Dy O8 -","- C34 H64 Dy4 O32 -","4","1","","Zhang, Yingjie; Bhadbhade, Mohan; Scales, Nicholas; Karatchevtseva, Inna; Price, Jason R.; Lu, Kim; Lumpkin, Gregory R.","Dysprosium complexes with mono-/di-carboxylate ligands—From simple dimers to 2D and 3D frameworks","Journal of Solid State Chemistry","2014","219","","1","8","10.1016/j.jssc.2014.07.007","","","0.7108","Synchrotron","","0.0412","0.0374","","","0.1087","0.1118","","","","","","1.033","","","","has coordinates,has disorder","264641","2021-04-28","09:41:09",""
"1562215","15.8681","0.0006","15.1661","0.0006","24.9681","0.001","90","","94.529","0.001","90","","5990","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 Cu Ge Mo12 N10 O42 -","- C36 H29 Cu Ge Mo12 N10 O42 -","- C144 H116 Cu4 Ge4 Mo48 N40 O168 -","4","1","","Zhou, Shi; Liu, Bo; Li, Xiao-Min; Shi, Tian; Chen, Ya-Guang","Two new helical compounds based on Keggin clusters and N-donor multidentate ligand: Syntheses, structures and properties","Journal of Solid State Chemistry","2014","219","","15","20","10.1016/j.jssc.2014.07.005","","","0.71073","MoKα","","0.0242","0.0204","","","0.0498","0.0513","","","","","","1.066","","","","has coordinates","264642","2021-04-28","09:46:22",""
"1562216","15.864","0.003","15.159","0.003","25.011","0.005","90","","94.514","0.002","90","","5996","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 Cu Mo12 N10 O42 Si -","- C36 H29 Cu Mo12 N10 O42 Si -","- C144 H116 Cu4 Mo48 N40 O168 Si4 -","4","1","","Zhou, Shi; Liu, Bo; Li, Xiao-Min; Shi, Tian; Chen, Ya-Guang","Two new helical compounds based on Keggin clusters and N-donor multidentate ligand: Syntheses, structures and properties","Journal of Solid State Chemistry","2014","219","","15","20","10.1016/j.jssc.2014.07.005","","","0.71073","MoKα","","0.0283","0.0221","","","0.0502","0.0525","","","","","","1.022","","","","has coordinates","264642","2021-04-28","09:46:22",""
"1562217","18.4854","0.0007","8.812","0.0003","25.1098","0.0008","90","","106.355","0.002","90","","3924.7","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H37 N7 O15 Pb3 -","- C36 H37 N7 O15 Pb3 -","- C144 H148 N28 O60 Pb12 -","4","0.5","","Hazari, Debdoot; Jana, Swapan Kumar; Fleck, Michel; Zangrando, Ennio; Dalai, Sudipta","Two three-dimensional coordination polymers of lead(II) with iminodiacetate and naphthalene-dicarboxylate anions: Synthesis, characterization and luminescence behavior","Journal of Solid State Chemistry","2014","219","","43","48","10.1016/j.jssc.2014.07.004","","","0.71073","MoKα","","0.0583","0.0455","","","0.0926","0.0968","","","","","","1.135","","","","has coordinates","264643","2021-04-28","09:50:00",""
"1562218","22.995","0.004","5.588","0.0008","7.6869","0.0012","90","","91.833","0.005","90","","987.2","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 O4 Pb -","- C12 H6 O4 Pb -","- C48 H24 O16 Pb4 -","4","0.5","","Hazari, Debdoot; Jana, Swapan Kumar; Fleck, Michel; Zangrando, Ennio; Dalai, Sudipta","Two three-dimensional coordination polymers of lead(II) with iminodiacetate and naphthalene-dicarboxylate anions: Synthesis, characterization and luminescence behavior","Journal of Solid State Chemistry","2014","219","","43","48","10.1016/j.jssc.2014.07.004","","","0.71073","MoKα","","0.0395","0.036","","","0.088","0.0899","","","","","","1.141","","","","has coordinates","264643","2021-04-28","09:50:10",""
"1562219","12.05","0.006","4.624","0.003","29.967","0.016","90","","93.066","0.006","90","","1667.3","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 N3 Na O2 -","- C8 H6 N3 Na O2 -","- C64 H48 N24 Na8 O16 -","8","1","","Wang, Jin-Hua; Tang, Gui-Mei; Qin, Ting-Xiao; Yan, Shi-Chen; Wang, Yong-Tao; Cui, Yue-Zhi; Weng Ng, Seik","A set of alkali and alkaline-earth coordination polymers based on the ligand 2-(1H-benzotriazol-1-yl) acetic acid: Effects the radius of metal ions on structures and properties","Journal of Solid State Chemistry","2014","219","","55","66","10.1016/j.jssc.2014.07.003","","","0.71073","MoKα","","0.0605","0.0461","","","0.1386","0.1469","","","","","","1.086","","","","has coordinates","264644","2021-04-28","09:54:31",""
"1562220","12.157","","4.588","","17.668","","90","","104.86","","90","","952.498","","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H7 K N3 O2.5 -","- C8 H7 K N3 O2.5 -","- C32 H28 K4 N12 O10 -","4","1","","Wang, Jin-Hua; Tang, Gui-Mei; Qin, Ting-Xiao; Yan, Shi-Chen; Wang, Yong-Tao; Cui, Yue-Zhi; Weng Ng, Seik","A set of alkali and alkaline-earth coordination polymers based on the ligand 2-(1H-benzotriazol-1-yl) acetic acid: Effects the radius of metal ions on structures and properties","Journal of Solid State Chemistry","2014","219","","55","66","10.1016/j.jssc.2014.07.003","","","0.71073","MoKα","","0.0311","0.0299","","","0.0828","0.0837","","","","","","1.108","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1562221","18.215","0.002","13.3474","0.0016","7.6674","0.0009","90","","93.382","0.001","90","","1860.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Ca N6 O6 -","- C16 H16 Ca N6 O6 -","- C64 H64 Ca4 N24 O24 -","4","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Qin, Ting-Xiao; Yan, Shi-Chen; Wang, Yong-Tao; Cui, Yue-Zhi; Weng Ng, Seik","A set of alkali and alkaline-earth coordination polymers based on the ligand 2-(1H-benzotriazol-1-yl) acetic acid: Effects the radius of metal ions on structures and properties","Journal of Solid State Chemistry","2014","219","","55","66","10.1016/j.jssc.2014.07.003","","","0.71073","MoKα","","0.0746","0.0614","","","0.1731","0.184","","","","","","1.128","","","","has coordinates","264644","2021-04-28","09:54:35",""
"1562222","18.369","0.008","13.412","0.005","7.978","0.003","90","","92.852","0.005","90","","1963.1","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N6 O6 Sr -","- C16 H16 N6 O6 Sr -","- C64 H64 N24 O24 Sr4 -","4","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Qin, Ting-Xiao; Yan, Shi-Chen; Wang, Yong-Tao; Cui, Yue-Zhi; Weng Ng, Seik","A set of alkali and alkaline-earth coordination polymers based on the ligand 2-(1H-benzotriazol-1-yl) acetic acid: Effects the radius of metal ions on structures and properties","Journal of Solid State Chemistry","2014","219","","55","66","10.1016/j.jssc.2014.07.003","","","0.71073","MoKα","","0.0369","0.0292","","","0.0619","0.0645","","","","","","1.072","","","","has coordinates","264644","2021-04-28","09:54:35",""
"1562237","12.0528","0.0009","9.5497","0.0007","8.5979","0.0006","90","","90","","90","","989.62","0.12","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba3 Ge S5 -","- Ba3 Ge S5 -","- Ba12 Ge4 S20 -","4","0.5","","Pan, Ming-Yan; Xia, Sheng-Qing; Liu, Xiao-Cun; Tao, Xu-Tang","Ba3GeS5 and Ba3InS4Cl: Interesting size effects originated from the tetrahedral anions","Journal of Solid State Chemistry","2014","219","","74","79","10.1016/j.jssc.2014.07.009","","","0.71073","MoKα","","0.0249","0.0204","","","0.0463","0.048","","","","","","0.997","","","","has coordinates","264682","2021-04-29","07:24:52",""
"1562238","8.3613","0.0006","8.3613","0.0006","14.3806","0.0018","90","","90","","90","","1005.37","0.16","296","2","296","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ba3 Cl In S4 -","- Ba3 Cl In S4 -","- Ba12 Cl4 In4 S16 -","4","0.125","","Pan, Ming-Yan; Xia, Sheng-Qing; Liu, Xiao-Cun; Tao, Xu-Tang","Ba3GeS5 and Ba3InS4Cl: Interesting size effects originated from the tetrahedral anions","Journal of Solid State Chemistry","2014","219","","74","79","10.1016/j.jssc.2014.07.009","","","0.71073","MoKα","","0.0272","0.0205","","","0.0403","0.0421","","","","","","1.077","","","","has coordinates","264682","2021-04-29","07:24:53",""
"1562239","4.28","0.001","4.28","0.001","20.966","0.003","90","","90","","120","","332.61","0.12","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","germanium tin antimony telluride","germanium tin antimony telluride (3.26/1.1/1.1/6)","","- Ge3.26 Sb1.1 Sn1.1 Te6 -","- Ge3.263 Sb1.096 Sn1.096 Te6 -","- Ge3.263 Sb1.096 Sn1.096 Te6 -","1","0.0833333","","Rosenthal, Tobias; Welzmiller, Simon; Neudert, Lukas; Urban, Philipp; Fitch, Andy; Oeckler, Oliver","Novel superstructure of the rocksalt type and element distribution in germanium tin antimony tellurides","Journal of Solid State Chemistry","2014","219","","108","117","10.1016/j.jssc.2014.07.014","","","0.56085","AgKα","","0.1278","0.0584","","","0.167","0.2168","","","","","","0.919","","","","has coordinates","264683","2021-04-29","07:33:27",""
"1562240","4.2499","0.00004","4.2499","0.00004","73.4677","0.0009","90","","90","","120","","1149.17","0.02","297","2","297","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","germanium tin antimony telluride","germanium tin antimony telluride","","- Ge3 Sb2 Sn Te7 -","- Ge3 Sb2.002 Sn Te7 -","- Ge9 Sb6.006 Sn3 Te21 -","3","0.0833333","","Rosenthal, Tobias; Welzmiller, Simon; Neudert, Lukas; Urban, Philipp; Fitch, Andy; Oeckler, Oliver","Novel superstructure of the rocksalt type and element distribution in germanium tin antimony tellurides","Journal of Solid State Chemistry","2014","219","","108","117","10.1016/j.jssc.2014.07.014","powder diffraction","x-ray","0.389937","synchrotron","","","","","","","","","0.012","2.84","","","","","","","has coordinates","264683","2021-04-29","07:33:28",""
"1562241","7.293","0.006","16.041","0.015","7.207","0.005","90","","90","","90","","843.1","1.2","293","2","293","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- Cd Cl I O3 -","- Cd Cl I O3 -","- Cd8 Cl8 I8 O24 -","8","0.5","","Yang, Bing-Ping; Mao, Jiang-Gao","Synthesis, crystal structure and optical properties of two new layered cadmium iodates: Cd(IO3)X (X=Cl, OH)","Journal of Solid State Chemistry","2014","219","","185","190","10.1016/j.jssc.2014.07.032","","","0.71073","MoKα","","0.0165","0.0157","","","0.0373","0.0378","","","","","","1.175","","","","has coordinates","264684","2021-04-29","07:42:08",""
"1562242","11.5245","0.0011","6.7985","0.0007","4.7303","0.0004","90","","90","","90","","370.62","0.06","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cd H I O4 -","- Cd I O4 -","- Cd4 I4 O16 -","4","0.5","","Yang, Bing-Ping; Mao, Jiang-Gao","Synthesis, crystal structure and optical properties of two new layered cadmium iodates: Cd(IO3)X (X=Cl, OH)","Journal of Solid State Chemistry","2014","219","","185","190","10.1016/j.jssc.2014.07.032","","","0.71073","MoKα","","0.043","0.0361","","","0.0921","0.1009","","","","","","1.086","","","","has coordinates","264684","2021-04-29","07:42:09",""
"1562243","8.993","0.0018","13.214","0.003","14.518","0.003","86.89","0.03","87.01","0.03","86.08","0.03","1716.6","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 La2 N6 O20 S6 -","- C18 H12 La2 N6 O20 S6 -","- C36 H24 La4 N12 O40 S12 -","2","1","","Zhu, Yu; Wang, Yan-Mei; Xu, Ji; Liu, Pan; Weththasinha, H.A.B.M.D.; Wu, Yun-Long; Lu, Xiao-Qing; Xie, Ji-Min","Syntheses, structures, molecular and cationic recognitions and catalytic properties of two lanthanide coordination polymers based on a flexible tricarboxylate","Journal of Solid State Chemistry","2014","219","","259","264","10.1016/j.jssc.2014.07.029","","","0.71073","MoKα","","0.0887","0.0714","","","0.189","0.2057","","","","","","0.931","","","","has coordinates","264685","2021-04-29","07:51:03",""
"1562244","8.7281","0.0017","14.495","0.003","15.445","0.005","90","","121.07","0.02","90","","1673.7","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N3 Nd O10 S3 -","- C9 H8 N3 Nd O10 S3 -","- C36 H32 N12 Nd4 O40 S12 -","4","1","","Zhu, Yu; Wang, Yan-Mei; Xu, Ji; Liu, Pan; Weththasinha, H.A.B.M.D.; Wu, Yun-Long; Lu, Xiao-Qing; Xie, Ji-Min","Syntheses, structures, molecular and cationic recognitions and catalytic properties of two lanthanide coordination polymers based on a flexible tricarboxylate","Journal of Solid State Chemistry","2014","219","","259","264","10.1016/j.jssc.2014.07.029","","","0.71073","MoKα","","0.1459","0.1414","","","0.3259","0.3278","","","","","","1.086","","","","has coordinates","264685","2021-04-29","07:51:06",""
"1562245","10.0792","0.0003","23.5148","0.0007","10.1064","0.0003","90","","91.433","0.003","90","","2394.57","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H33 Cl2 La N2 O16 -","- C11 H33 Cl2 La N2 O16 -","- C44 H132 Cl8 La4 N8 O64 -","4","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MoKα","","0.0431","0.0365","","","0.0763","0.0788","","","","","","1.184","","","","has coordinates","264686","2021-04-29","08:20:59",""
"1562246","10.0761","0.0004","23.4129","0.0011","10.0886","0.0004","90","","91.242","0.004","90","","2379.45","0.17","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H33 Ce Cl2 N2 O16 -","- C11 H31 Ce Cl2 N2 O16 -","- C44 H124 Ce4 Cl8 N8 O64 -","4","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MOKα","","0.0625","0.0379","","","0.0792","0.084","","","","","","0.936","","","","has coordinates","264686","2021-04-29","08:20:59",""
"1562247","10.0547","0.0005","23.4124","0.0011","10.088","0.0005","90","","91.386","0.004","90","","2374.1","0.2","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H33 Cl2 N2 O16 Pr -","- C11 H31 Cl2 N2 O16 Pr -","- C44 H124 Cl8 N8 O64 Pr4 -","4","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MOKα","","0.0754","0.0575","","","0.1076","0.1143","","","","","","1.17","","","","has coordinates","264686","2021-04-29","08:20:59",""
"1562248","10.0731","0.0004","23.4237","0.001","10.0765","0.0004","90","","91.149","0.004","90","","2377.06","0.17","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H33 Cl2 N2 Nd O16 -","- C11 H32 Cl2 N2 Nd O16 -","- C44 H128 Cl8 N8 Nd4 O64 -","4","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MOKα","","0.0883","0.0758","","","0.1597","0.1643","","","","","","1.254","","","","has coordinates","264686","2021-04-29","08:20:59",""
"1562249","10.0628","0.0002","23.3496","0.0005","10.0705","0.0003","90","","91.077","0.002","90","","2365.77","0.1","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H33 Cl2 N2 O16 Sm -","- C11 H31 Cl2 N2 O16 Sm -","- C44 H124 Cl8 N8 O64 Sm4 -","4","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MOKα","","0.0373","0.0346","","","0.0734","0.0744","","","","","","1.177","","","","has coordinates","264686","2021-04-29","08:20:59",""
"1562250","8.8773","0.0008","10.7934","0.0009","11.6111","0.001","114.963","0.009","96.854","0.007","92.941","0.007","994.98","0.17","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H24 Cl N2 O13 Sm -","- C11 H24 Cl N2 O13 Sm -","- C22 H48 Cl2 N4 O26 Sm2 -","2","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MOKα","","0.0571","0.046","","","0.0815","0.0862","","","","","","1.02","","","","has coordinates","264686","2021-04-29","08:20:59",""
"1562251","8.8415","0.0004","10.7879","0.0006","11.5684","0.0008","115.137","0.006","97.123","0.005","92.688","0.004","985.09","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H24 Cl Gd N2 O13 -","- C11 H24 Cl Gd N2 O13 -","- C22 H48 Cl2 Gd2 N4 O26 -","2","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MoKα","","0.0431","0.0364","","","0.0727","0.0759","","","","","","1.028","","","","has coordinates","264686","2021-04-29","08:21:00",""
"1562252","9.5742","0.0003","9.6509","0.0004","11.3751","0.0004","75.472","0.003","69.916","0.003","70.363","0.003","918.76","0.06","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H24 Cl La N2 O12 -","- C11 H24 Cl La N2 O12 -","- C22 H48 Cl2 La2 N4 O24 -","2","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MOKα","","0.0301","0.0278","","","0.0609","0.0621","","","","","","1.047","","","","has coordinates","264686","2021-04-29","08:21:00",""
"1562253","9.5382","0.0006","9.5987","0.0005","11.3364","0.0007","75.385","0.005","70.031","0.006","70.519","0.005","908.36","0.1","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H24 Ce Cl N2 O12 -","- C11 H24 Ce Cl N2 O12 -","- C22 H48 Ce2 Cl2 N4 O24 -","2","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MOKα","","0.0296","0.0263","","","0.0554","0.0568","","","","","","1.038","","","","has coordinates","264686","2021-04-29","08:21:00",""
"1562254","9.5081","0.0004","9.5761","0.0004","11.3281","0.0004","75.262","0.004","70.075","0.004","70.563","0.004","902.78","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H24 Cl N2 O12 Pr -","- C11 H24 Cl N2 O12 Pr -","- C22 H48 Cl2 N4 O24 Pr2 -","2","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MoKα","","0.0206","0.0195","","","0.0451","0.0456","","","","","","1.101","","","","has coordinates","264686","2021-04-29","08:21:00",""
"1562255","9.4988","0.0004","9.5631","0.0004","11.3202","0.0006","75.205","0.004","70.16","0.004","70.629","0.004","900.62","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H24 Cl N2 Nd O12 -","- C11 H24 Cl N2 Nd O12 -","- C22 H48 Cl2 N4 Nd2 O24 -","2","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MoKα","","0.021","0.0195","","","0.0419","0.0425","","","","","","0.957","","","","has coordinates","264686","2021-04-29","08:21:00",""
"1562256","9.4666","0.0007","9.5085","0.0006","11.301","0.0008","75.024","0.006","70.317","0.007","70.834","0.006","892.13","0.12","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H24 Cl N2 O12 Sm -","- C11 H24 Cl N2 O12 Sm -","- C22 H48 Cl2 N4 O24 Sm2 -","2","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MOKα","","0.0403","0.0343","","","0.0623","0.0649","","","","","","1.032","","","","has coordinates","264686","2021-04-29","08:21:00",""
"1562257","9.4414","0.0004","9.5032","0.0005","11.2855","0.0005","74.935","0.004","70.387","0.004","70.825","0.004","888.07","0.08","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H24 Cl Eu N2 O12 -","- C11 H24 Cl Eu N2 O12 -","- C22 H48 Cl2 Eu2 N4 O24 -","2","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MOKα","","0.0195","0.0183","","","0.0435","0.0439","","","","","","1.084","","","","has coordinates","264686","2021-04-29","08:21:00",""
"1562258","9.4192","0.0005","9.4774","0.0005","11.2698","0.0006","74.841","0.004","70.407","0.005","70.863","0.005","882.34","0.09","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H24 Cl Gd N2 O12 -","- C11 H24 Cl Gd N2 O12 -","- C22 H48 Cl2 Gd2 N4 O24 -","2","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MOKα","","0.0321","0.028","","","0.0511","0.0526","","","","","","1.062","","","","has coordinates","264686","2021-04-29","08:21:00",""
"1562259","8.0661","0.0003","9.9778","0.0004","18.2647","0.0007","90","","90","","90","","1469.98","0.1","173","2","173","2","","","","","","","","5","P 21 c n","P -2n 2a","33","","","","- C11 H17 La N2 O9 -","- C11 H17 La N2 O9 -","- C44 H68 La4 N8 O36 -","4","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MoKα","","0.0253","0.0231","","","0.0487","0.0496","","","","","","1.052","","","","has coordinates","264686","2021-04-29","08:21:00",""
"1562260","8.0126","0.0004","9.9537","0.0005","18.2413","0.0009","90","","90","","90","","1454.84","0.13","173","2","173.15","","","","","","","","","5","P 21 c n","P -2n 2a","33","","","","- C11 H17 Ce N2 O9 -","- C11 H17 Ce N2 O9 -","- C44 H68 Ce4 N8 O36 -","4","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MOKα","","0.0404","0.0313","","","0.0525","0.056","","","","","","1.035","","","","has coordinates","264686","2021-04-29","08:21:00",""
"1562261","7.9823","0.0003","9.9452","0.0004","18.2128","0.0009","90","","90","","90","","1445.83","0.11","173","2","173.15","","","","","","","","","5","P 21 c n","P -2n 2a","33","","","","- C11 H17 N2 O9 Pr -","- C11 H17 N2 O9 Pr -","- C44 H68 N8 O36 Pr4 -","4","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MOKα","","0.047","0.0349","","","0.0537","0.0586","","","","","","0.989","","","","has coordinates","264686","2021-04-29","08:21:00",""
"1562262","7.9419","0.0001","9.9173","0.0001","18.1495","0.0002","90","","90","","90","","1429.49","0.03","173","2","173.15","","","","","","","","","5","P 21 c n","P -2n 2a","33","","","","- C11 H17 N2 Nd O9 -","- C11 H17 N2 Nd O9 -","- C44 H68 N8 Nd4 O36 -","4","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MOKα","","0.0232","0.0213","","","0.0449","0.0456","","","","","","1.09","","","","has coordinates","264686","2021-04-29","08:21:00",""
"1562263","6.5191","0.0005","10.7261","0.0009","12.7328","0.001","90.799","0.006","91.424","0.006","99.278","0.007","878.27","0.12","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H25 N2 O13 Sm -","- C11 H25 N2 O13 Sm -","- C22 H50 N4 O26 Sm2 -","2","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MOKα","","0.057","0.0479","","","0.0935","0.0983","","","","","","1.079","","","","has coordinates","264686","2021-04-29","08:21:01",""
"1562264","6.5022","0.0006","10.7067","0.0011","12.7237","0.0009","90.815","0.007","91.306","0.007","99.184","0.008","874.06","0.14","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H19 Eu N2 O13 -","- C11 H19 Eu N2 O13 -","- C22 H38 Eu2 N4 O26 -","2","1","","Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui","Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties","Journal of Solid State Chemistry","2014","219","","265","273","10.1016/j.jssc.2014.07.037","","","0.71073","MOKα","","0.0581","0.0479","","","0.086","0.0909","","","","","","1.045","","","","has coordinates","264686","2021-04-29","08:21:01",""
"1562265","4.1408","0.0002","4.1408","0.0002","14.1096","0.0006","90","","90","","90","","241.926","0.019","160","2","160","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- Bi1.98 F0.36 La2.02 O1.64 Se4 -","- Bi1.984 F0.36 La2.02 O1.64 Se4 -","- Bi1.984 F0.36 La2.02 O1.64 Se4 -","1","0.0625","","Tanaka, Masashi; Nagao, Masanori; Matsushita, Yoshitaka; Fujioka, Masaya; Denholme, Saleem J.; Yamaguchi, Takahide; Takeya, Hiroyuki; Takano, Yoshihiko","First single crystal growth and structural analysis of superconducting layered bismuth oxyselenide; La(O,F)BiSe2","Journal of Solid State Chemistry","2014","219","","168","172","10.1016/j.jssc.2014.07.026","","","0.71073","MoKα","","0.0244","0.0243","","","0.0634","0.0636","","","","","","1.165","","","","has coordinates","264687","2021-04-29","08:24:26",""
"1562266","6.6975","0.00014","7.13226","0.00014","14.3094","0.0003","90","","103.071","0.002","90","","665.83","0.02","297.8","0.5","297.8","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 O7 P U -","- C2 H3 O7 P U -","- C8 H12 O28 P4 U4 -","4","1","","Spencer, Elinor C.; Ross, Nancy L.; Surbella, Robert G.; Cahill, Christopher L.","The influence of pressure on the structure of a 2D uranium(VI) carboxyphosphonoate compound","Journal of Solid State Chemistry","2014","218","","1","5","10.1016/j.jssc.2014.05.026","","","0.7107","MoKα","","0.0341","0.0247","","","0.0463","0.0501","","","","","","1.052","","","","has coordinates","264688","2021-04-29","08:45:49",""
"1562267","6.675","0.0002","7.0926","0.00014","13.8385","0.0006","90","","104.026","0.005","90","","635.62","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 O7 P U -","- C2 H3 O7 P U -","- C8 H12 O28 P4 U4 -","4","1","","Spencer, Elinor C.; Ross, Nancy L.; Surbella, Robert G.; Cahill, Christopher L.","The influence of pressure on the structure of a 2D uranium(VI) carboxyphosphonoate compound","Journal of Solid State Chemistry","2014","218","","1","5","10.1016/j.jssc.2014.05.026","","","0.7107","MoKα","","0.0425","0.0291","","","0.0644","0.0683","","","","","","0.812","","","","has coordinates","264688","2021-04-29","08:45:49",""
"1562268","6.6574","0.0004","7.0625","0.0002","13.5995","0.001","90","","104.456","0.009","90","","619.18","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 O7 P U -","- C2 H3 O7 P U -","- C8 H12 O28 P4 U4 -","4","1","","Spencer, Elinor C.; Ross, Nancy L.; Surbella, Robert G.; Cahill, Christopher L.","The influence of pressure on the structure of a 2D uranium(VI) carboxyphosphonoate compound","Journal of Solid State Chemistry","2014","218","","1","5","10.1016/j.jssc.2014.05.026","","","0.7107","MoKα","","0.0537","0.0456","","","0.1251","0.1304","","","","","","1.01","","","","has coordinates","264688","2021-04-29","08:45:49",""
"1562269","6.6395","0.0004","7.0346","0.0003","13.4076","0.0013","90","","104.783","0.011","90","","605.49","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 O7 P U -","- C2 H3 O7 P U -","- C8 H12 O28 P4 U4 -","4","1","","Spencer, Elinor C.; Ross, Nancy L.; Surbella, Robert G.; Cahill, Christopher L.","The influence of pressure on the structure of a 2D uranium(VI) carboxyphosphonoate compound","Journal of Solid State Chemistry","2014","218","","1","5","10.1016/j.jssc.2014.05.026","","","0.7107","MoKα","","0.0539","0.0459","","","0.1266","0.1318","","","","","","1.011","","","","has coordinates","264688","2021-04-29","08:45:50",""
"1562270","6.70402","0.00015","7.13304","0.00015","14.3341","0.00009","90","","103.136","0.002","90","","667.52","0.02","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 O7 P U -","- C2 H3 O7 P U -","- C8 H12 O28 P4 U4 -","4","1","","Spencer, Elinor C.; Ross, Nancy L.; Surbella, Robert G.; Cahill, Christopher L.","The influence of pressure on the structure of a 2D uranium(VI) carboxyphosphonoate compound","Journal of Solid State Chemistry","2014","218","","1","5","10.1016/j.jssc.2014.05.026","","","0.7107","MoKα","","0.0358","0.028","","","0.0553","0.0593","","","","","","1.066","","","","has coordinates","264688","2021-04-29","08:45:50",""
"1562271","5.5463","0.0003","6.4893","0.0004","12.8709","0.0007","90","","93.559","0.005","90","","462.35","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Mn4TeSiO7Br2","","","- Br2 Mn4 O7 Si Te -","- Br2 Mn4 O7 Si Te -","- Br4 Mn8 O14 Si2 Te2 -","2","0.5","","Zimmermann, Iwan; Kremer, Reinhard K.; Johnsson, Mats","Two isostructural layered oxohalide compounds containing Mn2+, Te4+ and Si4+; crystal structure and magnetic susceptibility","Journal of Solid State Chemistry","2014","218","","6","9","10.1016/j.jssc.2014.05.027","","","0.71069","MoKα","","0.0456","0.0361","","","0.0845","0.0872","","","","","","0.977","","","","has coordinates","264689","2021-04-29","08:50:27",""
"1562272","5.49434","0.00007","6.44184","0.00009","12.60451","0.00018","90","","94.159","0.0012","90","","444.945","0.011","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Mn4TeSiO7Cl2","","","- Cl2 Mn4 O7 Si Te -","- Cl2 Mn4 O7 Si Te -","- Cl4 Mn8 O14 Si2 Te2 -","2","0.5","","Zimmermann, Iwan; Kremer, Reinhard K.; Johnsson, Mats","Two isostructural layered oxohalide compounds containing Mn2+, Te4+ and Si4+; crystal structure and magnetic susceptibility","Journal of Solid State Chemistry","2014","218","","6","9","10.1016/j.jssc.2014.05.027","","","0.71073","MoKα","","0.043","0.034","","","0.0815","0.0958","","","","","","1.121","","","","has coordinates","264689","2021-04-29","08:50:27",""
"1562273","8.234","","9.655","","17.805","","90","","90","","90","","1415.48","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B Cu2 H3 O10 P2 -","- B Cu2 H3 O10 P2 -","- B8 Cu16 H24 O80 P16 -","8","1","","Zhao, Long; Liu, Wei; Ma, Xiaohong; Cao, Lixin; Su, Ge; Lu, Zhisheng","The molten hydrated flux synthesis of a novel open-framework copper borophosphate and its structural relation with the precursors","Journal of Solid State Chemistry","2014","218","","10","14","10.1016/j.jssc.2014.06.008","","","0.71073","MoKα","","0.0701","0.0391","","","0.0705","0.0789","","","","","","1.088","","","","has coordinates","264690","2021-04-29","08:54:35",""
"1562274","7.3391","0.0015","9.4757","0.0019","13.417","0.003","85.59","0.03","76.21","0.03","85.08","0.03","901.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N8 Ni O16 -","- C32 H40 N8 Ni O16 -","- C32 H40 N8 Ni O16 -","1","0.5","","Yang, Huai-Xia; Liang, Zhen; Hao, Bao-Lian; Meng, Xiang-Ru","Syntheses, crystal structures, and characterization of three 1D, 2D and 3D complexes based on mixed multidentate N- and O-donor ligands","Journal of Solid State Chemistry","2014","218","","23","31","10.1016/j.jssc.2014.06.003","","","0.71073","MoKα","","0.0634","0.0607","","","0.1509","0.1535","","","","","","1.052","","","","has coordinates,has disorder","264691","2021-04-29","09:00:14",""
"1562275","11.115","0.002","9.0645","0.0018","19.081","0.006","90","","112.1","0.03","90","","1781.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Cd2 N8 O13 -","- C32 H32 Cd2 N8 O13 -","- C64 H64 Cd4 N16 O26 -","2","0.5","","Yang, Huai-Xia; Liang, Zhen; Hao, Bao-Lian; Meng, Xiang-Ru","Syntheses, crystal structures, and characterization of three 1D, 2D and 3D complexes based on mixed multidentate N- and O-donor ligands","Journal of Solid State Chemistry","2014","218","","23","31","10.1016/j.jssc.2014.06.003","","","0.71073","MoKα","","0.0637","0.0573","","","0.1248","0.1292","","","","","","1.152","","","","has coordinates","264691","2021-04-29","09:00:24",""
"1562276","9.806","0.002","15.893","0.003","12.212","0.005","90","","115.78","0.02","90","","1713.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N4 O5 Zn -","- C16 H13 N4 O5 Zn -","- C64 H52 N16 O20 Zn4 -","4","1","","Yang, Huai-Xia; Liang, Zhen; Hao, Bao-Lian; Meng, Xiang-Ru","Syntheses, crystal structures, and characterization of three 1D, 2D and 3D complexes based on mixed multidentate N- and O-donor ligands","Journal of Solid State Chemistry","2014","218","","23","31","10.1016/j.jssc.2014.06.003","","","0.71073","MoKα","","0.0411","0.0358","","","0.086","0.0895","","","","","","1.033","","","","has coordinates","264691","2021-04-29","09:00:27",""
"1562277","13.427","0.003","18.684","0.004","16.764","0.003","90","","112.11","0.03","90","","3896.3","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Co2 N8 O13 -","- C32 H30 Co2 N8 O13 -","- C128 H120 Co8 N32 O52 -","4","0.5","","Yang, Huai-Xia; Liang, Zhen; Hao, Bao-Lian; Meng, Xiang-Ru","Syntheses, crystal structures, and characterization of three 1D, 2D and 3D complexes based on mixed multidentate N- and O-donor ligands","Journal of Solid State Chemistry","2014","218","","23","31","10.1016/j.jssc.2014.06.003","","","0.71073","MoKα","","0.0876","0.0697","","","0.1612","0.1729","","","","","","1.112","","","","has coordinates","264691","2021-04-29","09:00:37",""
"1562278","17.035","0.003","10.172","0.002","19.396","0.004","90","","113.62","0.03","90","","3079.4","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Cu N4 O5 -","- C16 H13 Cu N4 O5 -","- C128 H104 Cu8 N32 O40 -","8","1","","Yang, Linyan; Xin, Liangliang; Gu, Wen; Tian, Jinlei; Liao, Shengyun; Du, Peiyao; Tong, Yuzhang; Zhang, Yanping; Lv, Rui; Wang, Jingyao; Liu, Xin","A new carboxyl-copper-organic framework and its excellent selective absorbability for proteins","Journal of Solid State Chemistry","2014","218","","64","70","10.1016/j.jssc.2014.05.019","","","0.71073","MoKα","","0.0491","0.0428","","","0.0975","0.1036","","","","","","1.093","","","","has coordinates","264692","2021-04-29","09:13:49",""
"1562279","15.569","0.0003","10.1788","0.0002","23.3104","0.0004","90","","94.958","0.002","90","","3680.26","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Mn N7 Sb Se4 -","- C37 H30 Mn N7 Sb Se4 -","- C148 H120 Mn4 N28 Sb4 Se16 -","4","1","","Liu, Guang-Ning; Zhu, Wen-Juan; Zhang, Ming-Jian; Xu, Bo; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng","Syntheses, crystal and band structures, and optical properties of a selenidoantimonate and an iron polyselenide","Journal of Solid State Chemistry","2014","218","","109","115","10.1016/j.jssc.2014.06.012","","","0.71073","MoKα","","0.036","0.0262","","","0.0565","0.0605","","","","","","0.998","","","","has coordinates","287936","2023-12-01","15:19:00",""
"1562280","9.499","0.003","10.558","0.004","13.297","0.006","88.172","0.016","81.962","0.014","67.315","0.012","1218","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Fe N4 Se4 -","- C24 H16 Fe N4 Se4 -","- C48 H32 Fe2 N8 Se8 -","2","1","","Liu, Guang-Ning; Zhu, Wen-Juan; Zhang, Ming-Jian; Xu, Bo; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng","Syntheses, crystal and band structures, and optical properties of a selenidoantimonate and an iron polyselenide","Journal of Solid State Chemistry","2014","218","","109","115","10.1016/j.jssc.2014.06.012","","","0.71073","MoKα","","0.0517","0.045","","","0.1179","0.1237","","","","","","1.01","","","","has coordinates","287936","2023-12-01","15:19:01",""
"1562281","4.9379","0.0007","7.9166","0.0017","8.4262","0.0016","109.981","0.018","90.713","0.015","104.914","0.014","297.3","0.1","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","lithium chromium (II / III) phosphate","","- Cr3 Li5 O16 P4 -","- Cr3 Li5 O16 P4 -","- Cr3 Li5 O16 P4 -","1","0.5","","Mosymow, E.; Glaum, R.; Kremer, R.K.","Searching for “LiCrIIPO4”","Journal of Solid State Chemistry","2014","218","","131","140","10.1016/j.jssc.2014.06.020","","x-ray","0.71073","MoKα","","0.0241","0.0222","","","0.0665","0.0671","","","","","","1.135","","","","has coordinates","264694","2021-04-29","09:23:45",""
"1562282","6.1745","0.0012","14.316","0.003","10.277","0.002","90","","90","","90","","908.4","0.3","293","2","293","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- Cr4 Li O12 P3 -","- Cr4.0034 Li0.9966 O12 P3 -","- Cr16.0136 Li3.9864 O48 P12 -","4","0.5","","Mosymow, E.; Glaum, R.; Kremer, R.K.","Searching for “LiCrIIPO4”","Journal of Solid State Chemistry","2014","218","","131","140","10.1016/j.jssc.2014.06.020","","x-ray","0.71073","MoKα","","0.0338","0.028","","","0.0774","0.08","","","","","","1.078","","","","has coordinates","264694","2021-04-29","09:23:48",""
"1562283","11.099","0.005","8.413","0.003","11.385","0.005","90","","115.618","0.006","90","","958.6","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 Co N2 O8 -","- C18 H12 Co N2 O8 -","- C36 H24 Co2 N4 O16 -","2","1","","Li, Xiu-Hua; Zhang, Qi; Hu, Ping","A multi-functional coordination polymer coexisting spontaneous chirality resolution and weak ferromagnetism","Journal of Solid State Chemistry","2014","218","","151","154","10.1016/j.jssc.2014.06.024","","","0.71073","MoKα","","0.0423","0.0394","","","0.1083","0.1105","","","","","","1.033","","","","has coordinates","264695","2021-04-29","09:28:07",""
"1562284","13.4191","0.001","4.0844","0.0003","19.1652","0.0014","90","","105.83","0.005","90","","1010.59","0.13","153","2","153","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- Ag1.75 In Sb5.75 Se11 -","- Ag1.75 In Sb5.75 Se11 -","- Ag3.5 In2 Sb11.5 Se22 -","2","0.5","","Hao, Wenyu; Han, Yemao; Huang, Rongjin; Feng, Kai; Yin, Wenlong; Yao, Jiyong; Wu, Yicheng","Ag1.75InSb5.75Se11: A new noncentrosymmetric compound with congruent-melting behavior","Journal of Solid State Chemistry","2014","218","","196","201","10.1016/j.jssc.2014.06.026","","","0.71073","MoKα","","0.0491","0.037","","","0.0957","0.1011","","","","","","1.307","","","","has coordinates","264696","2021-04-29","09:32:39",""
"1562285","11.568","0.002","20.85","0.004","18.383","0.003","90","","105.493","0.002","90","","4272.7","1.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 N5 Nd O17 -","- C38 H42 N5 Nd O17 -","- C152 H168 N20 Nd4 O68 -","4","1","","Song, Xue-Qin; Lei, Yao-Kun; Wang, Xiao-Run; Zhao, Meng-Meng; Peng, Yun-Qiao; Cheng, Guo-Quan","Lanthanide coordination polymers: Synthesis, diverse structure and luminescence properties","Journal of Solid State Chemistry","2014","218","","202","212","10.1016/j.jssc.2014.06.025","","","0.71073","MoKα","","0.0637","0.0321","","","0.0624","0.08","","","","","","1.092","","","","has coordinates","264697","2021-04-29","09:40:16",""
"1562286","19.06","0.003","19.06","0.003","11.965","0.003","90","","90","","120","","3764.3","1.3","298","2","298","2","","","","","","","","5","P 3","P 3","143","","","","- C102 H96 N12 O36 Pr2 -","- C102 H96 N12 O36 Pr2 -","- C102 H96 N12 O36 Pr2 -","1","0.333333","","Song, Xue-Qin; Lei, Yao-Kun; Wang, Xiao-Run; Zhao, Meng-Meng; Peng, Yun-Qiao; Cheng, Guo-Quan","Lanthanide coordination polymers: Synthesis, diverse structure and luminescence properties","Journal of Solid State Chemistry","2014","218","","202","212","10.1016/j.jssc.2014.06.025","","","0.71073","MoKα","","0.1764","0.0884","","","0.2218","0.2872","","","","","","0.993","","","","has coordinates","264697","2021-04-29","09:40:16",""
"1562287","12.2807","0.0009","21.979","0.0017","22.943","0.0017","90","","99.118","0.003","90","","6114.5","0.8","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H48 Dy N6 O18 -","- C51 H48 Dy N6 O18 -","- C204 H192 Dy4 N24 O72 -","4","1","","Song, Xue-Qin; Lei, Yao-Kun; Wang, Xiao-Run; Zhao, Meng-Meng; Peng, Yun-Qiao; Cheng, Guo-Quan","Lanthanide coordination polymers: Synthesis, diverse structure and luminescence properties","Journal of Solid State Chemistry","2014","218","","202","212","10.1016/j.jssc.2014.06.025","","","0.71073","MoKα","","0.1354","0.0595","","","0.1084","0.1204","","","","","","1.014","","","","has coordinates","264697","2021-04-29","09:40:16",""
"1562288","11.5721","0.0008","20.8149","0.0014","18.9408","0.0012","90","","110.856","0.004","90","","4263.4","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Eu N5 O17 -","- C38 H42 Eu N5 O17 -","- C152 H168 Eu4 N20 O68 -","4","1","","Song, Xue-Qin; Lei, Yao-Kun; Wang, Xiao-Run; Zhao, Meng-Meng; Peng, Yun-Qiao; Cheng, Guo-Quan","Lanthanide coordination polymers: Synthesis, diverse structure and luminescence properties","Journal of Solid State Chemistry","2014","218","","202","212","10.1016/j.jssc.2014.06.025","","","0.71073","MoKα","","0.0912","0.0436","","","0.0725","0.0892","","","","","","0.984","","","","has coordinates","264697","2021-04-29","09:40:17",""
"1562289","19.1263","0.0002","19.1263","0.0002","19.1263","0.0002","90","","90","","90","","6996.69","0.13","293","2","293","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- Ag4 H18 Mn5 N6 Se13 Sn3 -","- Ag4 Mn5 N6 Se13 Sn3 -","- Ag32 Mn40 N48 Se104 Sn24 -","8","0.0833333","","Xiong, Wei-Wei; Miao, Jianwei; Li, Pei-Zhou; Zhao, Yanli; Liu, Bin; Zhang, Qichun","{[M(NH3)6][Ag4M4Sn3Se13]}∞(M=Zn, Mn): Three-dimensional chalcogenide frameworks constructed from quaternary metal selenide clusters with two different transition metals","Journal of Solid State Chemistry","2014","218","","146","150","10.1016/j.jssc.2014.06.035","","","0.71073","MoKα","","0.042","0.0365","","","0.0829","0.0866","","","","","","1.02","","","","has coordinates","264698","2021-04-29","09:46:17",""
"1562290","18.9679","0.0004","18.9679","0.0004","18.9679","0.0004","90","","90","","90","","6824.3","0.2","293","2","293","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- Ag4 H18 N6 Se13 Sn3 Zn5 -","- Ag4 N6 Se13 Sn3 Zn5 -","- Ag32 N48 Se104 Sn24 Zn40 -","8","0.0833333","","Xiong, Wei-Wei; Miao, Jianwei; Li, Pei-Zhou; Zhao, Yanli; Liu, Bin; Zhang, Qichun","{[M(NH3)6][Ag4M4Sn3Se13]}∞(M=Zn, Mn): Three-dimensional chalcogenide frameworks constructed from quaternary metal selenide clusters with two different transition metals","Journal of Solid State Chemistry","2014","218","","146","150","10.1016/j.jssc.2014.06.035","","","0.71073","MoKα","","0.0635","0.0576","","","0.1526","0.157","","","","","","1.031","","","","has coordinates","264698","2021-04-29","09:46:18",""
"1562303","17.972","0.003","23.869","0.004","20.487","0.003","90","","95.886","0.003","90","","8742","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H57 Cu3 Mo12 N12 O71 P8 -","- C30 H57 Cu3 Mo12 N12 O71 P8 -","- C120 H228 Cu12 Mo48 N48 O284 P32 -","4","1","","Zhang, He; Yu, Kai; Lv, Jing-Hua; Wang, Chun-Mei; Wang, Chun-Xiao; Zhou, Bai-Bin","Assembly of three organic‒inorganic hybrid supramolecular materials based on reduced molybdenum(V) phosphates","Journal of Solid State Chemistry","2014","217","","22","30","10.1016/j.jssc.2014.05.010","","","0.71073","MoKα","","0.0994","0.0517","","","0.113","0.1635","","","","","","1.052","","","","has coordinates","264719","2021-04-30","07:58:24",""
"1562304","13.676","0.003","14.029","0.003","23.714","0.005","90.057","0.003","96.118","0.003","94.984","0.003","4506.5","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H61 Mo12 N12 Ni3 O73 P8 -","- C30 H61 Mo12 N12 Ni3 O73 P8 -","- C60 H122 Mo24 N24 Ni6 O146 P16 -","2","1","","Zhang, He; Yu, Kai; Lv, Jing-Hua; Wang, Chun-Mei; Wang, Chun-Xiao; Zhou, Bai-Bin","Assembly of three organic‒inorganic hybrid supramolecular materials based on reduced molybdenum(V) phosphates","Journal of Solid State Chemistry","2014","217","","22","30","10.1016/j.jssc.2014.05.010","","","0.71073","MoKα","","0.065","0.0401","","","0.0804","0.104","","","","","","1.012","","","","has coordinates","264719","2021-04-30","07:58:26",""
"1562305","21.0239","0.0017","23.502","0.0018","15.592","0.002","90","","131.102","0.001","90","","5805.3","1","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C52 H72 Mo12 N10 Na Ni3 O82 P8 -","- C52 H72 Mo12 N10 Na Ni3 O82 P8 -","- C104 H144 Mo24 N20 Na2 Ni6 O164 P16 -","2","0.25","","Zhang, He; Yu, Kai; Lv, Jing-Hua; Wang, Chun-Mei; Wang, Chun-Xiao; Zhou, Bai-Bin","Assembly of three organic‒inorganic hybrid supramolecular materials based on reduced molybdenum(V) phosphates","Journal of Solid State Chemistry","2014","217","","22","30","10.1016/j.jssc.2014.05.010","","","0.71073","MoKα","","0.075","0.0415","","","0.0912","0.1025","","","","","","1.073","","","","has coordinates","264719","2021-04-30","07:58:26",""
"1562306","7.5923","0.0012","10.0495","0.0013","10.2603","0.0012","105.944","0.002","91.935","0.0013","98.7693","0.0012","741.57","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Co Mo6 N6 O22 -","- C16 H20 Co Mo6 N6 O22 -","- C16 H20 Co Mo6 N6 O22 -","1","0.5","","Li, Na; Mu, Bao; Cao, Xinyu; Huang, Rudan","The structures and properties of the new two-dimensional inorganic‒organic hybrid materials based on the molybdate chains","Journal of Solid State Chemistry","2014","217","","180","186","10.1016/j.jssc.2014.06.001","","","0.71073","MoKα","","0.1378","0.1006","","","0.2692","0.2959","","","","","","1.057","","","","has coordinates","264720","2021-04-30","08:19:28",""
"1562307","7.6177","0.0005","10.0632","0.0006","10.2539","0.0008","105.844","0.002","91.856","0.001","99.04","0.001","744.44","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Mo6 N6 Ni O22 -","- C16 H20 Mo6 N6 Ni O22 -","- C16 H20 Mo6 N6 Ni O22 -","1","0.5","","Li, Na; Mu, Bao; Cao, Xinyu; Huang, Rudan","The structures and properties of the new two-dimensional inorganic‒organic hybrid materials based on the molybdate chains","Journal of Solid State Chemistry","2014","217","","180","186","10.1016/j.jssc.2014.06.001","","","0.71073","MoKα","","0.0614","0.0475","","","0.1283","0.138","","","","","","1.02","","","","has coordinates","264720","2021-04-30","08:19:29",""
"1562308","7.5755","0.0006","9.9208","0.0008","10.2918","0.0009","105.551","0.002","92.013","0.001","99.009","0.001","733.55","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Cu Mo6 N6 O22 -","- C16 H20 Cu Mo6 N6 O22 -","- C16 H20 Cu Mo6 N6 O22 -","1","0.5","","Li, Na; Mu, Bao; Cao, Xinyu; Huang, Rudan","The structures and properties of the new two-dimensional inorganic‒organic hybrid materials based on the molybdate chains","Journal of Solid State Chemistry","2014","217","","180","186","10.1016/j.jssc.2014.06.001","","","0.71073","MoKα","","0.0826","0.0722","","","0.1779","0.1883","","","","","","1.056","","","","has coordinates","264720","2021-04-30","08:19:29",""
"1562309","7.6137","0.0006","10.089","0.0009","10.3272","0.0011","105.897","0.002","91.715","0.001","98.749","0.001","751.92","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Mo6 N6 O22 Zn -","- C16 H20 Mo6 N6 O22 Zn -","- C16 H20 Mo6 N6 O22 Zn -","1","0.5","","Li, Na; Mu, Bao; Cao, Xinyu; Huang, Rudan","The structures and properties of the new two-dimensional inorganic‒organic hybrid materials based on the molybdate chains","Journal of Solid State Chemistry","2014","217","","180","186","10.1016/j.jssc.2014.06.001","","","0.71073","MoKα","","0.0581","0.0431","","","0.1107","0.1243","","","","","","1.104","","","","has coordinates","264720","2021-04-30","08:19:29",""
"1562310","7.6364","0.0005","10.1462","0.0007","10.3819","0.0008","106.443","0.002","91.599","0.001","98.753","0.001","760.37","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Mn Mo6 N6 O22 -","- C16 H18 Mn Mo6 N6 O22 -","- C16 H18 Mn Mo6 N6 O22 -","1","0.5","","Li, Na; Mu, Bao; Cao, Xinyu; Huang, Rudan","The structures and properties of the new two-dimensional inorganic‒organic hybrid materials based on the molybdate chains","Journal of Solid State Chemistry","2014","217","","180","186","10.1016/j.jssc.2014.06.001","","","0.71073","MoKα","","0.0521","0.0388","","","0.1036","0.1129","","","","","","1.034","","","","has coordinates","264720","2021-04-30","08:19:29",""
"1562311","10.867","0.0009","11.6701","0.0011","11.8519","0.0012","97.493","0.001","103.687","0.001","110.381","0.002","1331","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Mo12 N9 O40 P -","- C24 H24 Mo12 N9 O40 P -","- C24 H24 Mo12 N9 O40 P -","1","0.5","","Li, Na; Mu, Bao; Cao, Xinyu; Huang, Rudan","The structures and properties of the new two-dimensional inorganic‒organic hybrid materials based on the molybdate chains","Journal of Solid State Chemistry","2014","217","","180","186","10.1016/j.jssc.2014.06.001","","","0.71073","MoKα","","0.0978","0.0638","","","0.1545","0.1841","","","","","","1.045","","","","has coordinates","264720","2021-04-30","08:19:29",""
"1562312","11.3153","0.0015","12.529","0.0017","19.184","0.003","88.406","0.002","76.988","0.002","84.482","0.002","2637.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H64 Co3 N13 Na O10 -","- C45 H64 Co3 N13 Na O10 -","- C90 H128 Co6 N26 Na2 O20 -","2","1","","Zhang, Shu-Hua; Zhao, Ru-Xia; Li, He-Ping; Ge, Cheng-Min; Li, Gui; Huang, Qiu-Ping; Zou, Hua-Hong","Structural variation from heterometallic cluster-based 1D chain to heterometallic tetranuclear cluster: Syntheses, structures and magnetic properties","Journal of Solid State Chemistry","2014","216","","30","35","10.1016/j.jssc.2014.04.014","","","0.71073","MoKα","","0.1983","0.0712","","","0.1481","0.2005","","","","","","0.995","","","","has coordinates","264721","2021-04-30","08:54:42",""
"1562313","10.897","0.0005","10.8099","0.0005","19.2672","0.0008","90","","103.146","0.001","90","","2210.11","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Co2 N8 Na2 O14 -","- C38 H42 Co2 N8 Na2 O14 -","- C76 H84 Co4 N16 Na4 O28 -","2","0.5","","Zhang, Shu-Hua; Zhao, Ru-Xia; Li, He-Ping; Ge, Cheng-Min; Li, Gui; Huang, Qiu-Ping; Zou, Hua-Hong","Structural variation from heterometallic cluster-based 1D chain to heterometallic tetranuclear cluster: Syntheses, structures and magnetic properties","Journal of Solid State Chemistry","2014","216","","30","35","10.1016/j.jssc.2014.04.014","","","0.71073","MoKα","","0.0546","0.0336","","","0.0626","0.0644","","","","","","1.079","","","","has coordinates","264721","2021-04-30","08:55:08",""
"1562314","8.4254","0.0004","11.3038","0.0006","15.2973","0.0008","90","","100.063","0.005","90","","1434.49","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H36 N8 Sn Te4 Zn2 -","- C12 H36 N8 Sn Te4 Zn2 -","- C24 H72 N16 Sn2 Te8 Zn4 -","2","1","","Lu, Jialin; Wang, Fang; Shen, Yali; Tang, Chunying; Zhang, Yong; Jia, Dingxian","New μ-SnTe4 and μ-Sn2Te6 ligands to transition metal: Solvothermal syntheses and characterizations of zinc tellurostannates containing polyamine ligands","Journal of Solid State Chemistry","2014","216","","65","72","10.1016/j.jssc.2014.05.002","","","0.71073","MoKα","","0.0723","0.0491","","","0.0679","0.0749","","","","","","0.928","","","","has coordinates","264722","2021-04-30","08:58:49",""
"1562315","11.536","0.002","15.266","0.003","24.076","0.005","90","","90","","90","","4240","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H54 I2 N12 Sn Te4 Zn3 -","- C18 H54 I2 N12 Sn Te4 Zn3 -","- C72 H216 I8 N48 Sn4 Te16 Zn12 -","4","1","","Lu, Jialin; Wang, Fang; Shen, Yali; Tang, Chunying; Zhang, Yong; Jia, Dingxian","New μ-SnTe4 and μ-Sn2Te6 ligands to transition metal: Solvothermal syntheses and characterizations of zinc tellurostannates containing polyamine ligands","Journal of Solid State Chemistry","2014","216","","65","72","10.1016/j.jssc.2014.05.002","","","0.71073","MoKα","","0.0597","0.0414","","","0.0712","0.0827","","","","","","1.051","","","","has coordinates","264722","2021-04-30","08:58:52",""
"1562316","8.3596","0.0017","13.002","0.003","14.809","0.003","90","","95.41","0.03","90","","1602.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 N8 Sn2 Te6 Zn2 -","- C12 H36 N8 Sn2 Te6 Zn2 -","- C24 H72 N16 Sn4 Te12 Zn4 -","2","0.5","","Lu, Jialin; Wang, Fang; Shen, Yali; Tang, Chunying; Zhang, Yong; Jia, Dingxian","New μ-SnTe4 and μ-Sn2Te6 ligands to transition metal: Solvothermal syntheses and characterizations of zinc tellurostannates containing polyamine ligands","Journal of Solid State Chemistry","2014","216","","65","72","10.1016/j.jssc.2014.05.002","","","0.71073","MoKα","","0.0685","0.0554","","","0.1013","0.1214","","","","","","1.249","","","","has coordinates","264722","2021-04-30","08:58:58",""
"1562317","17.146","0.003","15.132","0.003","17.158","0.003","90","","97.65","0.03","90","","4412.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H234 N54 Sn8 Te25 Zn8 -","- C72 H208 N54 Sn8 Te25 Zn8 -","- C72 H208 N54 Sn8 Te25 Zn8 -","1","0.25","","Lu, Jialin; Wang, Fang; Shen, Yali; Tang, Chunying; Zhang, Yong; Jia, Dingxian","New μ-SnTe4 and μ-Sn2Te6 ligands to transition metal: Solvothermal syntheses and characterizations of zinc tellurostannates containing polyamine ligands","Journal of Solid State Chemistry","2014","216","","65","72","10.1016/j.jssc.2014.05.002","","","0.71073","MoKα","","0.0453","0.0409","","","0.0933","0.0954","","","","","","1.138","","","","has coordinates","264722","2021-04-30","08:59:00",""
"1562318","7.15368","0.00018","8.9039","0.0002","15.2158","0.0004","95.33","0.002","94.693","0.002","92.915","0.002","960.08","0.04","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Ag N3 O3 -","- C8 H10 Ag N3 O3 -","- C32 H40 Ag4 N12 O12 -","4","2","","Rana, Abhinandan; Kumar Jana, Swapan; Pal, Tanusri; Puschmann, Horst; Zangrando, Ennio; Dalai, Sudipta","Electrical conductivity and luminescence properties of two silver(I) coordination polymers with heterocyclic nitrogen ligands","Journal of Solid State Chemistry","2014","216","","49","55","10.1016/j.jssc.2014.04.026","","","0.7107","MoKα","","0.024013","0.02103","","","","0.04363","","","","","","1.04816","","","","has coordinates","264723","2021-04-30","09:00:37",""
"1562319","7.9407","0.0002","10.2061","0.0002","13.7769","0.0003","96.4983","0.0019","96.444","0.002","110.913","0.002","1022.17","0.04","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 Ag8 N2 O31 -","- C29 H32 Ag8 N2 O31 -","- C29 H32 Ag8 N2 O31 -","1","0.5","","Rana, Abhinandan; Kumar Jana, Swapan; Pal, Tanusri; Puschmann, Horst; Zangrando, Ennio; Dalai, Sudipta","Electrical conductivity and luminescence properties of two silver(I) coordination polymers with heterocyclic nitrogen ligands","Journal of Solid State Chemistry","2014","216","","49","55","10.1016/j.jssc.2014.04.026","","","0.7107","MoKα","","0.033823","0.02475","","","","0.051347","","","","","","1.05145","","","","has coordinates","264723","2021-04-30","09:00:37",""
"1562320","8.586","0.003","11.844","0.004","10.333","0.003","90","","98.02","0.004","90","","1040.5","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dimethylammonium uranyl hydrogenphosphonate phosphonate","","- C2 H11 N O8 P2 U -","- C2 H8 N O8 P2 U -","- C8 H32 N4 O32 P8 U4 -","4","1","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0937","0.0439","","","0.0777","0.0928","","","","","","0.992","","","","has coordinates","264724","2021-04-30","09:13:08",""
"1562321","6.8274","0.0009","13.4222","0.0017","12.3325","0.0016","90","","99.253","0.002","90","","1115.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Alpha-Uranium (IV) tetra(hydrogenphosphanate)","","- H8 O12 P4 U -","- O12 P4 U -","- O48 P16 U4 -","4","1","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0493","0.0347","","","0.0802","0.0836","","","","","","1.211","","","","has coordinates","264724","2021-04-30","09:13:09",""
"1562322","11.3116","0.0015","7.7632","0.0011","12.4181","0.0017","90","","102.317","0.001","90","","1065.4","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Beta-Uranium (IV) tetra(hydrogenphosphonate)","","- H8 O12 P4 U -","- O12 P4 U -","- O48 P16 U4 -","4","0.5","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0268","0.0214","","","0.0477","0.0497","","","","","","1.278","","","","has coordinates","264724","2021-04-30","09:13:09",""
"1562323","6.896","0.003","13.631","0.005","12.518","0.005","90","","99.466","0.005","90","","1160.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Alpha-Thorium (IV) tetra(hydrogenphosphanate)","","- H8 O12 P4 Th -","- O12 P4 Th -","- O48 P16 Th4 -","4","1","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0712","0.041","","","0.0845","0.096","","","","","","1","","","","has coordinates","264724","2021-04-30","09:13:09",""
"1562324","11.437","0.007","7.808","0.007","12.558","0.008","90","","102.253","0.012","90","","1095.9","1.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Beta-Thorium (IV) tetra(hydrogenphosphonate)","","- H8 O12 P4 Th -","- O12 P4 Th -","- O48 P16 Th4 -","4","0.5","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0723","0.0442","","","0.0781","0.0863","","","","","","1.005","","","","has coordinates","264724","2021-04-30","09:13:09",""
"1562325","12.77","0.005","9.622","0.004","17.956","0.007","90","","90","","90","","2206.3","1.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Uranium monophosphonate di(hydrogenphosphonate) monoaqua dihydrate","","- H11 O12 P3 U -","- O11.5 P3 U -","- O92 P24 U8 -","8","1","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0964","0.0502","","","0.1134","0.1321","","","","","","1.125","","","","has coordinates","264724","2021-04-30","09:13:09",""
"1562326","11.073","0.002","9.2876","0.0017","14.916","0.003","90","","90","","90","","1534","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dithallium dihydrogen disphosphate","","- H2 O7 P2 Tl2 -","- O7 P2 Tl2 -","- O56 P16 Tl16 -","8","1","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0493","0.0333","","","0.0532","0.0589","","","","","","0.995","","","","has coordinates","264724","2021-04-30","09:13:10",""
"1562327","8.0754","0.0007","9.5524","0.0008","8.5213","0.0007","90","","117.969","0.0009","90","","580.55","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Phosphoric acid-acetonitrile","Phosphoric acid-acetonitrile","","- C2 H6 N O4 P -","- C2 H6 N O4 P -","- C8 H24 N4 O16 P4 -","4","1","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0239","0.0221","","","0.0586","0.0597","","","","","","1.066","","","","has coordinates","264724","2021-04-30","09:13:10",""
"1562328","10.6226","0.0004","11.3403","0.0004","13.0267","0.0005","97.916","0.003","107.979","0.004","98.096","0.003","1450.13","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H42 Cu2 N12 O20 W6 -","- C48 H40 Cu2 N12 O20 W6 -","- C48 H40 Cu2 N12 O20 W6 -","1","0.5","","Zhang, Mao-Mao; Hao, Xiu-Li; Xu, Li-Jie; Wang, Yong-Hui; Wang, Xin; Li, Yang-Guang","New organic‒inorganic hybrid assemblies based on copper(I) ion, bichelate-bridging ligand and Lindqvist-type polyoxometalate","Journal of Solid State Chemistry","2014","215","","57","66","10.1016/j.jssc.2014.03.023","","","0.71073","MoKα","","0.0485","0.0368","","","0.0746","0.0804","","","","","","0.981","","","","has coordinates","264725","2021-04-30","09:18:06",""
"1562329","13.4","0.003","25.214","0.005","24.064","0.005","90","","91.89","0.03","90","","8126","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Cl Cu3 N18 O19 W6 -","- C72 H60 Cl Cu3 N18 O19 W6 -","- C288 H240 Cl4 Cu12 N72 O76 W24 -","4","0.5","","Zhang, Mao-Mao; Hao, Xiu-Li; Xu, Li-Jie; Wang, Yong-Hui; Wang, Xin; Li, Yang-Guang","New organic‒inorganic hybrid assemblies based on copper(I) ion, bichelate-bridging ligand and Lindqvist-type polyoxometalate","Journal of Solid State Chemistry","2014","215","","57","66","10.1016/j.jssc.2014.03.023","","","0.71073","MoKα","","0.0824","0.0586","","","0.128","0.1391","","","","","","1.044","","","","has coordinates","264725","2021-04-30","09:18:07",""
"1562330","13.053","0.003","20.646","0.004","22.881","0.005","90","","91.3","0.03","90","","6165","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Cu2 N12 O21 W6 -","- C48 H40 Cu2 N12 O21 W6 -","- C192 H160 Cu8 N48 O84 W24 -","4","1","","Zhang, Mao-Mao; Hao, Xiu-Li; Xu, Li-Jie; Wang, Yong-Hui; Wang, Xin; Li, Yang-Guang","New organic‒inorganic hybrid assemblies based on copper(I) ion, bichelate-bridging ligand and Lindqvist-type polyoxometalate","Journal of Solid State Chemistry","2014","215","","57","66","10.1016/j.jssc.2014.03.023","","","0.71073","MoKα","","0.1842","0.0761","","","0.1272","0.1628","","","","","","0.967","","","","has coordinates,has disorder","264725","2021-04-30","09:18:07",""
"1562331","3.90348","0.00005","3.90348","0.00005","19.2641","0.0004","90","","90","","90","","293.53","0.008","1.5","","1.5","","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- Cl Fe3 O11 Pb5 Ti -","- Cl Fe3 O11 Pb5 Ti -","- Cl Fe3 O11 Pb5 Ti -","1","0.0625","","Batuk, Maria; Batuk, Dmitry; Abakumov, Artem M.; Hadermann, Joke","Pb5Fe3TiO11Cl: A rare example of Ti(IV) in a square pyramidal oxygen coordination","Journal of Solid State Chemistry","2014","215","","245","252","10.1016/j.jssc.2014.04.002","powder diffraction","","1.8857","neutron","","","","","","","","","4.6844","","","","","","","","has coordinates","264726","2021-04-30","09:32:20",""
"1562332","3.91542","0.00006","3.91542","0.00006","19.3216","0.0004","90","","90","","90","","296.21","0.009","300","","300","","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- Cl Fe3 O11 Pb5 Ti -","- Cl Fe3 O11 Pb5 Ti -","- Cl Fe3 O11 Pb5 Ti -","1","0.0625","","Batuk, Maria; Batuk, Dmitry; Abakumov, Artem M.; Hadermann, Joke","Pb5Fe3TiO11Cl: A rare example of Ti(IV) in a square pyramidal oxygen coordination","Journal of Solid State Chemistry","2014","215","","245","252","10.1016/j.jssc.2014.04.002","powder diffraction","","1.8857","neutron","","","","","","","","","15.0469","","","","","","","","has coordinates","264726","2021-04-30","09:32:21",""
"1562333","3.9338","0.00006","3.9338","0.00006","19.3996","0.0004","90","","90","","90","","300.205","0.009","550","","550","","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- Cl Fe3 O11 Pb5 Ti -","- Cl Fe3 O11 Pb5 Ti -","- Cl Fe3 O11 Pb5 Ti -","1","0.0625","","Batuk, Maria; Batuk, Dmitry; Abakumov, Artem M.; Hadermann, Joke","Pb5Fe3TiO11Cl: A rare example of Ti(IV) in a square pyramidal oxygen coordination","Journal of Solid State Chemistry","2014","215","","245","252","10.1016/j.jssc.2014.04.002","powder diffraction","","1.8857","neutron","","","","","","","","","5.8108","","","","","","","","has coordinates","264726","2021-04-30","09:32:21",""
"1562334","5.3239","0.001","16.558","0.003","10.639","0.002","90","","93.435","0.004","90","","936.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cu N6 O4 -","- C20 H12 Cu N6 O4 -","- C40 H24 Cu2 N12 O8 -","2","0.5","","Xiong, Pingping; Li, Jie; Bu, Huaiyu; Wei, Qing; Zhang, Ruolin; Chen, Sanping","Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities","Journal of Solid State Chemistry","2014","215","","292","299","10.1016/j.jssc.2014.04.012","","","0.71073","MoKα","","0.1204","0.0752","","","0.1774","0.2088","","","","","","1.022","","","","has coordinates","264727","2021-04-30","09:41:03",""
"1562335","7.593","0.0014","7.6304","0.0014","19.844","0.004","83.935","0.003","81.248","0.003","71.401","0.003","1075","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl2 Cu N6 O4 -","- C20 H18 Cl2 Cu N6 O4 -","- C40 H36 Cl4 Cu2 N12 O8 -","2","1","","Xiong, Pingping; Li, Jie; Bu, Huaiyu; Wei, Qing; Zhang, Ruolin; Chen, Sanping","Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities","Journal of Solid State Chemistry","2014","215","","292","299","10.1016/j.jssc.2014.04.012","","","0.71073","MoKα","","0.1037","0.0572","","","0.1484","0.2073","","","","","","1.077","","","","has coordinates","264727","2021-04-30","09:41:13",""
"1562336","17.899","0.002","8.0675","0.0012","7.84","0.0011","90","","95.565","0.002","90","","1126.8","0.3","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H20 Cl2 Cu N6 O5 -","- C20 H20 Cl2 Cu N6 O5 -","- C40 H40 Cl4 Cu2 N12 O10 -","2","0.5","","Xiong, Pingping; Li, Jie; Bu, Huaiyu; Wei, Qing; Zhang, Ruolin; Chen, Sanping","Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities","Journal of Solid State Chemistry","2014","215","","292","299","10.1016/j.jssc.2014.04.012","","","0.71073","MoKα","","0.0367","0.029","","","0.0551","0.0585","","","","","","1.014","","","","has coordinates","264727","2021-04-30","09:41:16",""
"1562337","23.008","0.002","9.4363","0.0009","9.5393","0.0009","90","","104.943","0.001","90","","2001","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cu N6 O5 -","- C20 H18 Cu N6 O5 -","- C80 H72 Cu4 N24 O20 -","4","0.5","","Xiong, Pingping; Li, Jie; Bu, Huaiyu; Wei, Qing; Zhang, Ruolin; Chen, Sanping","Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities","Journal of Solid State Chemistry","2014","215","","292","299","10.1016/j.jssc.2014.04.012","","","0.71073","MoKα","","0.0419","0.0328","","","0.0738","0.0786","","","","","","1.053","","","","has coordinates","264727","2021-04-30","09:41:25",""
"1562338","9.7494","0.0018","9.693","0.002","21.815","0.004","90","","90","","90","","2061.5","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H Cu N O -","- C3.53846 H2.76923 Cu0.153846 N0.769231 O0.615385 -","- C92 H72 Cu4 N20 O16 -","26","6.5","","Xiong, Pingping; Li, Jie; Bu, Huaiyu; Wei, Qing; Zhang, Ruolin; Chen, Sanping","Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities","Journal of Solid State Chemistry","2014","215","","292","299","10.1016/j.jssc.2014.04.012","","","0.71073","MoKα","","0.1118","0.0654","","","0.1539","0.1915","","","","","","1","","","","has coordinates","264727","2021-04-30","09:41:28",""
"1562430","13.1492","0.0018","9.5295","0.0013","11.0869","0.0015","90","","101.634","0.001","90","","1360.7","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","Ag(UO2)WO6(OH)(H2O)3","","","- Ag0.97 Na0.05 O16 U3 W -","- Ag0.955 Na0.045 O16 U3 W -","- Ag3.82 Na0.18 O64 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0222","0.0213","","","0.0414","0.0417","","","","","","1.003","","","","has coordinates","265062","2021-05-10","06:42:01",""
"1562431","12.9292","0.0017","10.1219","0.0013","11.2918","0.0015","90","","101.788","0.001","90","","1446.6","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","Tl0.8Ag0.2(UO2)WO6(OH)(H2O)3","","","- Ag0.18 O16 Tl0.8 U3 W -","- Ag0.181 O16 Tl0.819 U3 W -","- Ag0.724 O64 Tl3.276 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0519","0.0438","","","0.0912","0.0952","","","","","","1.129","","","","has coordinates","265062","2021-05-10","06:42:03",""
"1562432","12.907","0.007","10.22","0.005","11.345","0.006","90","","101.496","0.006","90","","1466.5","1.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","Na(UO2)WO6(OH)(H2O)4","sodium uranyl tungstate","","- Na O17 U3 W -","- Na1.01 O17 U3 W -","- Na4.04 O68 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.051","0.0405","","","0.08","0.085","","","","","","0.932","","","","has coordinates","265062","2021-05-10","06:42:03",""
"1562433","12.89","0.004","10.18","0.003","11.242","0.004","90","","102.187","0.003","90","","1441.9","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","Tl0.5K0.5(UO2)WO6(OH)(H2O)3","","","- K0.55 O16 Tl0.55 U3 W -","- K0.55 O16 Tl0.55 U3 W -","- K2.2 O64 Tl2.2 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0805","0.0585","","","0.1315","0.1388","","","","","","1.25","","","","has coordinates","265062","2021-05-10","06:42:04",""
"1562434","12.887","0.005","10.272","0.004","11.305","0.005","90","","101.914","0.006","90","","1464.3","1","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","K(UO2)WO6(OH)(H2O)3","","","- K0.98 O17 Tl0.02 U3 W -","- K0.991 O17 Tl0.009 U3 W -","- K3.964 O68 Tl0.036 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0651","0.051","","","0.1071","0.1138","","","","","","0.998","","","","has coordinates","265062","2021-05-10","06:42:04",""
"1562435","13.148","0.002","9.5204","0.0017","11.083","0.002","90","","101.568","0.002","90","","1359.1","0.4","413","2","413","2","","","","","","","","4","C 1 c 1","C -2yc","9","Ag(UO2)3(WO6)(OH)(H2O)3","Silver uranyl tungstate'","","- Ag O16 U3 W -","- Ag O16 U3 W -","- Ag4 O64 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0253","0.0238","","","0.0501","0.0506","","","","","","0.945","","","","has coordinates","265062","2021-05-10","06:42:04",""
"1562436","12.983","0.004","10.191","0.003","11.263","0.004","90","","101.661","0.004","90","","1459.4","0.8","373","2","373","2","","","","","","","","4","C 1 c 1","C -2yc","9","Cs(UO2)3(WO6)OH(H2O)3","Caesium uranyl tungstate","","- Cs O16 U3 W -","- Cs O16 U3 W -","- Cs4 O64 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0481","0.0458","","","0.1218","0.1253","","","","","","1.05","","","","has coordinates","265062","2021-05-10","06:42:04",""
"1562437","13.111","0.008","9.93","0.006","11.242","0.007","90","","101.024","0.007","90","","1436.6","1.5","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","K(UO2)3(WO6)OH(H2O)4","Potassium uranyl tungstate","","- K O16 U3 W -","- K O16 U3 W -","- K4 O64 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0338","0.0285","","","0.0565","0.0586","","","","","","1","","","","has coordinates","265062","2021-05-10","06:42:04",""
"1562438","12.94","0.002","10.231","0.002","11.259","0.002","90","","102.205","0.002","90","","1456.9","0.4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Rb(UO2)3(WO6)(OH)(H2O)3.5","Rubidium uranyl tungstate","","- O33 Rb2 U6 W2 -","- O33 Rb2 U6 W2 -","- O66 Rb4 U12 W4 -","2","0.5","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0421","0.0394","","","0.091","0.0929","","","","","","1.043","","","","has coordinates","265062","2021-05-10","06:42:04",""
"1562439","12.979","0.003","10.238","0.002","11.302","0.002","90","","102.044","0.002","90","","1468.7","0.5","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","(UO2)3(WO6)(H2O)5","uranyl tungstate","","- O17 U3 W -","- O17 U3 W -","- O68 U12 W4 -","4","1","","Balboni, Enrica; Burns, Peter C.","Cation‒cation interactions and cation exchange in a series of isostructural framework uranyl tungstates","Journal of Solid State Chemistry","2014","213","","1","8","10.1016/j.jssc.2014.02.001","","","0.71073","MoKα","","0.0244","0.0242","","","0.0603","0.0605","","","","","","1.035","","","","has coordinates","265062","2021-05-10","06:42:04",""
"1562440","12.187","0.003","12.438","0.003","12.897","0.003","99.384","0.005","110.139","0.004","117.336","0.005","1504.7","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H30 N4 Ni O7 S -","- C31 H30 N4 Ni O7 S -","- C62 H60 N8 Ni2 O14 S2 -","2","1","","Bisht, Kamal Kumar; Rachuri, Yadagiri; Parmar, Bhavesh; Suresh, Eringathodi","Mixed ligand coordination polymers with flexible bis-imidazole linker and angular sulfonyldibenzoate: Crystal structure, photoluminescence and photocatalytic activity","Journal of Solid State Chemistry","2014","213","","43","51","10.1016/j.jssc.2014.02.007","","","0.71073","MoKα","","0.122","0.081","","","0.1536","0.1675","","","","","","1.031","","","","has coordinates","265063","2021-05-10","06:49:58",""
"1562441","12.0144","0.0019","21.218","0.003","27.968","0.004","90","","90","","90","","7129.6","1.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H30 Cd N4 O7 S -","- C31 H30 Cd N4 O7 S -","- C248 H240 Cd8 N32 O56 S8 -","8","1","","Bisht, Kamal Kumar; Rachuri, Yadagiri; Parmar, Bhavesh; Suresh, Eringathodi","Mixed ligand coordination polymers with flexible bis-imidazole linker and angular sulfonyldibenzoate: Crystal structure, photoluminescence and photocatalytic activity","Journal of Solid State Chemistry","2014","213","","43","51","10.1016/j.jssc.2014.02.007","","","0.71073","MoKα","","0.1015","0.0775","","","0.1442","0.1549","","","","","","1.185","","","","has coordinates,has disorder","265063","2021-05-10","06:50:01",""
"1562442","12.467","0.002","23.356","0.004","21.516","0.004","90","","104.907","0.004","90","","6054.2","1.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36 N4 O12 S2 Zn2 -","- C45 H36 N4 O12 S2 Zn2 -","- C180 H144 N16 O48 S8 Zn8 -","4","1","","Bisht, Kamal Kumar; Rachuri, Yadagiri; Parmar, Bhavesh; Suresh, Eringathodi","Mixed ligand coordination polymers with flexible bis-imidazole linker and angular sulfonyldibenzoate: Crystal structure, photoluminescence and photocatalytic activity","Journal of Solid State Chemistry","2014","213","","43","51","10.1016/j.jssc.2014.02.007","","","0.71073","MoKα","","0.1806","0.0917","","","0.1602","0.1865","","","","","","0.892","","","","has coordinates","265063","2021-05-10","06:50:01",""
"1562443","12.4427","0.0014","23.401","0.003","20.867","0.002","90","","104.719","0.002","90","","5876.5","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H60 Co2 N4 O18 S2 -","- C57 H60 Co2 N4 O18 S2 -","- C228 H240 Co8 N16 O72 S8 -","4","1","","Bisht, Kamal Kumar; Rachuri, Yadagiri; Parmar, Bhavesh; Suresh, Eringathodi","Mixed ligand coordination polymers with flexible bis-imidazole linker and angular sulfonyldibenzoate: Crystal structure, photoluminescence and photocatalytic activity","Journal of Solid State Chemistry","2014","213","","43","51","10.1016/j.jssc.2014.02.007","","","0.71073","MoKα","","0.1204","0.0762","","","0.1401","0.1552","","","","","","1.1","","","","has coordinates","265063","2021-05-10","06:50:02",""
"1562444","7.6547","0.0013","8.6601","0.0015","6.8717","0.0012","101.237","0.004","96.874","0.003","106.472","0.004","420.98","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- Ba Fe H2 O11 P3 -","- Ba Fe H2 O11 P3 -","- Ba2 Fe2 H4 O22 P6 -","2","1","","Sun, Li-Zhi; Sun, Wei; Ren, Wei-Jian; Zhang, Jia-Ying; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao","Synthesis and characterization of novel barium iron phosphates: Insight into new structure types tailored by hydrogen atoms","Journal of Solid State Chemistry","2014","212","","48","57","10.1016/j.jssc.2014.01.010","","","0.71073","MoKα","","0.025","0.0248","","","0.0712","0.0714","","","","","","1","","","","has coordinates","265064","2021-05-10","07:20:29",""
"1562445","4.827","0.0009","7.5411","0.0013","8.6502","0.0015","108.328","0.003","97.394","0.002","105.184","0.002","280.71","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- Ba2 Fe H O14 P4 -","- Ba2 Fe H O14 P4 -","- Ba2 Fe H O14 P4 -","1","0.5","","Sun, Li-Zhi; Sun, Wei; Ren, Wei-Jian; Zhang, Jia-Ying; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao","Synthesis and characterization of novel barium iron phosphates: Insight into new structure types tailored by hydrogen atoms","Journal of Solid State Chemistry","2014","212","","48","57","10.1016/j.jssc.2014.01.010","","","0.71073","MoKα","","0.0276","0.027","","","0.079","0.0799","","","","","","1","","","","has coordinates","265064","2021-05-10","07:20:30",""
"1562446","6.235","0.0017","7.8552","0.0019","6.16","0.0016","101.164","0.004","105.693","0.005","96.507","0.004","280.54","0.13","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- Ba Fe2 O14 P4 -","- Ba Fe2 O14 P4 -","- Ba Fe2 O14 P4 -","1","0.5","","Sun, Li-Zhi; Sun, Wei; Ren, Wei-Jian; Zhang, Jia-Ying; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao","Synthesis and characterization of novel barium iron phosphates: Insight into new structure types tailored by hydrogen atoms","Journal of Solid State Chemistry","2014","212","","48","57","10.1016/j.jssc.2014.01.010","powder diffraction","","1.54056","CuKα~1~","","","","","","","","0.07586","","1.169","","","","","","","has coordinates","265064","2021-05-10","07:20:30",""
"1562447","9.4376","0.0018","9.4376","0.0018","36.943","0.007","90","","90","","120","","2849.6","0.9","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Fe2 H6 O24 P6 -","- Ba3 Fe2 H6 O24 P6 -","- Ba18 Fe12 H36 O144 P36 -","6","0.166667","","Sun, Li-Zhi; Sun, Wei; Ren, Wei-Jian; Zhang, Jia-Ying; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao","Synthesis and characterization of novel barium iron phosphates: Insight into new structure types tailored by hydrogen atoms","Journal of Solid State Chemistry","2014","212","","48","57","10.1016/j.jssc.2014.01.010","","","0.71073","MoKα","","0.0205","0.02","","","0.0595","0.0599","","","","","","1","","","","has coordinates","265064","2021-05-10","07:20:30",""
"1562448","10.458","0.002","12.274","0.003","12.401","0.003","86.14","0.03","79.87","0.03","76.58","0.03","1523.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 La N3 O21 Zn -","- C20 H10 La N3 O21 Zn -","- C40 H20 La2 N6 O42 Zn2 -","2","1","","Liu, Sui-Jun; Jia, Ji-Min; Cui, Yu; Han, Song-De; Chang, Ze","Luminescent pillared LnIII‒ZnII heterometallic coordination frameworks with two kinds of N-heterocyclic carboxylate ligands","Journal of Solid State Chemistry","2014","212","","58","63","10.1016/j.jssc.2014.01.003","","","0.71073","MoKα","","0.0334","0.0298","","","0.074","0.0759","","","","","","0.973","","","","has coordinates","265065","2021-05-10","07:25:35",""
"1562449","10.59","0.002","11.333","0.002","12.464","0.003","86.46","0.03","82.19","0.03","89.17","0.03","1479.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Eu N3 O19 Zn -","- C20 H10 Eu N3 O19 Zn -","- C40 H20 Eu2 N6 O38 Zn2 -","2","1","","Liu, Sui-Jun; Jia, Ji-Min; Cui, Yu; Han, Song-De; Chang, Ze","Luminescent pillared LnIII‒ZnII heterometallic coordination frameworks with two kinds of N-heterocyclic carboxylate ligands","Journal of Solid State Chemistry","2014","212","","58","63","10.1016/j.jssc.2014.01.003","","","0.71073","MoKα","","0.0495","0.0383","","","0.0874","0.0932","","","","","","0.87","","","","has coordinates","265065","2021-05-10","07:25:36",""
"1562450","10.602","0.002","11.33","0.002","12.446","0.003","86.27","0.03","82.02","0.03","89.22","0.03","1477.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Gd N3 O19 Zn -","- C20 H10 Gd N3 O19 Zn -","- C40 H20 Gd2 N6 O38 Zn2 -","2","1","","Liu, Sui-Jun; Jia, Ji-Min; Cui, Yu; Han, Song-De; Chang, Ze","Luminescent pillared LnIII‒ZnII heterometallic coordination frameworks with two kinds of N-heterocyclic carboxylate ligands","Journal of Solid State Chemistry","2014","212","","58","63","10.1016/j.jssc.2014.01.003","","","0.71073","MoKα","","0.0333","0.0288","","","0.0678","0.0693","","","","","","1.103","","","","has coordinates","265065","2021-05-10","07:25:36",""
"1562451","10.66","0.002","11.377","0.002","12.509","0.003","86.24","0.03","81.85","0.03","89.07","0.03","1498.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Dy N3 O19 Zn -","- C20 H10 Dy N3 O19 Zn -","- C40 H20 Dy2 N6 O38 Zn2 -","2","1","","Liu, Sui-Jun; Jia, Ji-Min; Cui, Yu; Han, Song-De; Chang, Ze","Luminescent pillared LnIII‒ZnII heterometallic coordination frameworks with two kinds of N-heterocyclic carboxylate ligands","Journal of Solid State Chemistry","2014","212","","58","63","10.1016/j.jssc.2014.01.003","","","0.71073","MoKα","","0.0289","0.0268","","","0.0696","0.0705","","","","","","1.13","","","","has coordinates","265065","2021-05-10","07:25:36",""
"1562452","21.6461","0.0005","11.5792","0.0005","19.7016","0.0005","90","","93.866","0.002","90","","4926.9","0.3","121","2","121","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H91 Co4 N9 O27 S6 -","- C91 H91 Co4 N9 O27 S6 -","- C182 H182 Co8 N18 O54 S12 -","2","0.5","","Zhang, Qingfu; Zhang, Haina; Geng, Aijing; Wang, Suna; Zhang, Chong","A new 3D Co(II)‒organic framework with acylamide-containing tetracarboxylate ligand: Solvothermal synthesis, crystal structure, gas adsorption and magnetic property","Journal of Solid State Chemistry","2014","212","","141","146","10.1016/j.jssc.2014.01.018","","","0.71073","MoKα","","0.1031","0.0732","","","0.1961","0.219","","","","","","1.044","","","","has coordinates,has disorder","265066","2021-05-10","07:36:14",""
"1562453","10.66898","0.00009","3.79866","0.00003","10.69317","0.00008","90","","90","","90","","433.371","0.006","293","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca2 Gd2 Ge2 O9 -","- Ca2 Gd2 Ge2 O9 -","- Ca4 Gd4 Ge4 O18 -","2","0.25","","Piccinelli, Fabio; Pedroni, Marco; Cagliero, Stefano; Speghini, Adolfo; Bettinelli, Marco","Structural study of Ca2Gd2Ge2O9 and optical spectroscopy of the Eu3+ dopant ion","Journal of Solid State Chemistry","2014","212","","180","184","10.1016/j.jssc.2014.01.025","powder diffraction","x-ray","0.619866","synchrotron","","","","","","","","0.0745","","1.24","","","","","","","has coordinates","265067","2021-05-10","07:43:08",""
"1562454","4.057","0.003","4.057","0.003","13.547","0.004","90","","90","","90","","223","0.2","293","","297","3","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- Bi F0.23 La O0.77 S2 -","- Bi La O S2 -","- Bi2 La2 O2 S4 -","2","0.125","","Miura, Akira; Nagao, Masanori; Takei, Takahiro; Watauchi, Satoshi; Tanaka, Isao; Kumada, Nobuhiro","Crystal structures of LaO1−xFxBiS2 (x~0.23, 0.46): Effect of F doping on distortion of Bi‒S plane","Journal of Solid State Chemistry","2014","212","","213","217","10.1016/j.jssc.2014.01.035","","","0.71075","MoKa","","","0.036","","","","0.0877","","","","","","1.071","","","","has coordinates","265068","2021-05-10","08:08:57",""
"1562455","4.063","0.002","4.063","0.002","13.345","0.004","90","","90","","90","","220.3","0.17","293","","297","3","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- Bi F0.46 La O0.54 S2 -","- Bi La O S2 -","- Bi2 La2 O2 S4 -","2","0.125","","Miura, Akira; Nagao, Masanori; Takei, Takahiro; Watauchi, Satoshi; Tanaka, Isao; Kumada, Nobuhiro","Crystal structures of LaO1−xFxBiS2 (x~0.23, 0.46): Effect of F doping on distortion of Bi‒S plane","Journal of Solid State Chemistry","2014","212","","213","217","10.1016/j.jssc.2014.01.035","","","0.71075","MoKa","","","0.0354","","","","0.0723","","","","","","1.043","","","","has coordinates","265068","2021-05-10","08:09:00",""
"1562456","10.0866","0.0015","10.1962","0.0015","11.3836","0.0017","82.426","0.002","70.449","0.002","63.495","0.002","987.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N6 O7 Zn -","- C16 H20 N6 O7 Zn -","- C32 H40 N12 O14 Zn2 -","2","1","","Zhang, Kou-Lin; Zhang, Jing-Bo; Jing, Chu-Yue; Zhang, Lei; Walton, Richard I.; Zhu, Peizhi; Ng, Seik Weng","Synthesis, structures and properties of a family of four two-dimensional coordination polymers constructed from 5-hydroxyisophthalate","Journal of Solid State Chemistry","2014","211","","8","20","10.1016/j.jssc.2013.12.005","","","0.71073","MoKα","","0.0597","0.0489","","","0.1378","0.1458","","","","","","1.065","","","","has coordinates","265069","2021-05-10","08:31:00",""
"1562457","10.2663","0.0011","10.3459","0.0011","11.0363","0.0012","67.984","0.001","80.198","0.001","69.464","0.001","1016.66","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Cd N6 O9 -","- C15 H22 Cd N6 O9 -","- C30 H44 Cd2 N12 O18 -","2","1","","Zhang, Kou-Lin; Zhang, Jing-Bo; Jing, Chu-Yue; Zhang, Lei; Walton, Richard I.; Zhu, Peizhi; Ng, Seik Weng","Synthesis, structures and properties of a family of four two-dimensional coordination polymers constructed from 5-hydroxyisophthalate","Journal of Solid State Chemistry","2014","211","","8","20","10.1016/j.jssc.2013.12.005","","","0.71073","MoKα","","0.0511","0.0493","","","0.1391","0.1433","","","","","","1.067","","","","has coordinates","265069","2021-05-10","08:31:00",""
"1562458","10.269","0.003","10.352","0.003","12.993","0.004","104.246","0.004","99.367","0.004","115.032","0.003","1155.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 Cd N6 O7 -","- C18 H24 Cd N6 O7 -","- C36 H48 Cd2 N12 O14 -","2","1","","Zhang, Kou-Lin; Zhang, Jing-Bo; Jing, Chu-Yue; Zhang, Lei; Walton, Richard I.; Zhu, Peizhi; Ng, Seik Weng","Synthesis, structures and properties of a family of four two-dimensional coordination polymers constructed from 5-hydroxyisophthalate","Journal of Solid State Chemistry","2014","211","","8","20","10.1016/j.jssc.2013.12.005","","","0.71073","MoKα","","0.0728","0.0494","","","0.1171","0.1291","","","","","","1.031","","","","has coordinates,has disorder","265069","2021-05-10","08:31:00",""
"1562459","6.8596","0.0012","7.9312","0.0013","8.2366","0.0014","78.544","0.002","82.112","0.002","86.246","0.002","434.69","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H6 O6 Pb -","- C8 H6 O6 Pb -","- C16 H12 O12 Pb2 -","2","1","","Zhang, Kou-Lin; Zhang, Jing-Bo; Jing, Chu-Yue; Zhang, Lei; Walton, Richard I.; Zhu, Peizhi; Ng, Seik Weng","Synthesis, structures and properties of a family of four two-dimensional coordination polymers constructed from 5-hydroxyisophthalate","Journal of Solid State Chemistry","2014","211","","8","20","10.1016/j.jssc.2013.12.005","","","0.71073","MoKα","","0.0328","0.0305","","","0.0769","0.0783","","","","","","1.073","","","","has coordinates","265069","2021-05-10","08:31:01",""
"1562469","12.5956","0.0006","12.7168","0.0006","13.7311","0.0007","111.438","0.001","101.693","0.001","93.871","0.001","1980.4","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H54 Cu4 Mo12 N8 O51 P3 -","- C48 H54 Cu4 Mo12 N8 O51 P3 -","- C48 H54 Cu4 Mo12 N8 O51 P3 -","1","0.5","","Yan, Jinshuang; Zhao, Xiaofang; Huang, Jiao; Gong, Kaining; Han, Zhangang; Zhai, Xueliang","Synthesis and characterization of two polyoxometalates consisting of different Cu-ligand hydrogen phosphate units","Journal of Solid State Chemistry","2014","211","","200","205","10.1016/j.jssc.2013.12.029","","","0.71073","MoKα","","0.0496","0.0461","","","0.1104","0.1133","","","","","","1.024","","","","has coordinates","265087","2021-05-11","07:30:06",""
"1562470","11.303","0.004","14.935","0.005","16.547","0.005","92.596","0.006","92.46","0.005","102.299","0.005","2722.4","1.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H84 Cu6 N12 O60 P5 W12 -","- C72 H76 Cu6 N12 O60 P5 W12 -","- C72 H76 Cu6 N12 O60 P5 W12 -","1","0.5","","Yan, Jinshuang; Zhao, Xiaofang; Huang, Jiao; Gong, Kaining; Han, Zhangang; Zhai, Xueliang","Synthesis and characterization of two polyoxometalates consisting of different Cu-ligand hydrogen phosphate units","Journal of Solid State Chemistry","2014","211","","200","205","10.1016/j.jssc.2013.12.029","","","0.71073","MoKα","","0.0949","0.0685","","","0.173","0.1946","","","","","","1.066","","","","has coordinates","265087","2021-05-11","07:30:07",""
"1562471","8.056","0.002","8.056","0.002","5.46","0.0011","90","","90","","90","","354.35","0.14","100","2","100","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Cu K2 O7 P2 -","- Cu K2 O7 P2 -","- Cu2 K4 O14 P4 -","2","0.25","","Keates, Adam C.; Wang, Qianlong; Weller, Mark T.","Synthesis and structural characterisation of iron(II) and copper(II) diphosphates containing flattened metal oxotetrahedra","Journal of Solid State Chemistry","2014","210","1","10","14","10.1016/j.jssc.2013.10.024","","","0.71073","MoKα","","0.0345","0.0267","","","0.0603","0.0629","","","","","","0.919","","","","has coordinates","265088","2021-05-11","07:37:56",""
"1562472","8.092","0.003","8.092","0.003","5.496","0.003","90","","90","","90","","359.9","0.3","100","2","100","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Fe K2 O7 P2 -","- Fe K2 O7 P2 -","- Fe2 K4 O14 P4 -","2","0.25","","Keates, Adam C.; Wang, Qianlong; Weller, Mark T.","Synthesis and structural characterisation of iron(II) and copper(II) diphosphates containing flattened metal oxotetrahedra","Journal of Solid State Chemistry","2014","210","1","10","14","10.1016/j.jssc.2013.10.024","","","0.71073","MoKα","","0.034","0.0294","","","0.0701","0.0715","","","","","","1.05","","","","has coordinates","265088","2021-05-11","07:37:56",""
"1562473","9.7029","0.0004","13.367","0.0006","20.7482","0.0008","90","","90","","90","","2691.01","0.19","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Layered Bismuth Sulfate","","","- C6 H14 Bi N3 O11 S2 -","- C6 H14 Bi N3 O11 S2 -","- C48 H112 Bi8 N24 O88 S16 -","8","1","","Marri, Subba R.; Behera, J.N.","Synthesis, structure and photoluminescence properties of amine-templated open-framework bismuth sulfates","Journal of Solid State Chemistry","2014","210","1","15","21","10.1016/j.jssc.2013.10.032","","","0.71073","MoKα","","0.0273","0.0215","","","0.0531","0.0555","","","","","","1.054","","","","has coordinates","265089","2021-05-11","07:43:39",""
"1562474","19.8449","0.0009","19.3547","0.0009","13.2108","0.0006","90","","91.939","0.001","90","","5071.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Three-dimensioanl Bismuth sulfate","","","- C16 H48 Bi4 N8 O44 S10 -","- C16 H48 Bi4 N8 O44 S10 -","- C64 H192 Bi16 N32 O176 S40 -","4","1","","Marri, Subba R.; Behera, J.N.","Synthesis, structure and photoluminescence properties of amine-templated open-framework bismuth sulfates","Journal of Solid State Chemistry","2014","210","1","15","21","10.1016/j.jssc.2013.10.032","","","0.71073","MoKα","","0.0631","0.0388","","","0.0771","0.0847","","","","","","1.028","","","","has coordinates","265089","2021-05-11","07:43:51",""
"1562475","29.349","0.007","10.144","0.003","18.028","0.005","90","","104.217","0.003","90","","5203","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Ce O18.5 -","- C24 H19 Ce O18.5 -","- C192 H152 Ce8 O148 -","8","1","","Cao, Xinyu; Yu, Liqiong; Huang, Rudan","Two Ce-containing 3D metal‒organic frameworks: In situ formation of ligand (DDPD)","Journal of Solid State Chemistry","2014","210","1","74","78","10.1016/j.jssc.2013.10.045","","","0.71073","MoKα","","0.0444","0.025","","","0.0499","0.0529","","","","","","0.932","","","","has coordinates","265091","2021-05-11","07:50:10",""
"1562476","9.152","0.002","9.96","0.002","12.663","0.004","102.195","0.004","103.277","0.004","109.443","0.003","1006","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 Ce O14 -","- C16 H17 Ce O14 -","- C32 H34 Ce2 O28 -","2","1","","Cao, Xinyu; Yu, Liqiong; Huang, Rudan","Two Ce-containing 3D metal‒organic frameworks: In situ formation of ligand (DDPD)","Journal of Solid State Chemistry","2014","210","1","74","78","10.1016/j.jssc.2013.10.045","","","0.71073","MoKα","","0.034","0.0299","","","0.073","0.075","","","","","","1.061","","","","has coordinates","265091","2021-05-11","07:50:10",""
"1562477","10.1795","0.0016","10.1795","0.0016","6.0217","0.001","90","","90","","120","","540.38","0.15","173","2","173","2","","","","","","","","4","P 63","P 6c","173","lanthanum iron gallium sulphide (3/1/1/7)","lanthanum iron gallium sulphide (3/1/1/7)","","- Fe Ga La3 S7 -","- Fe Ga La3 S7 -","- Fe2 Ga2 La6 S14 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Oliynyk, Anton O.; Mar, Arthur","Rare-earth transition-metal gallium chalcogenides RE3MGaCh7 (M=Fe, Co, Ni; Ch=S, Se)","Journal of Solid State Chemistry","2014","210","1","79","88","10.1016/j.jssc.2013.11.003","","","0.71073","MoKα","","0.0241","0.0192","","","0.0308","0.0316","","","","","","1.047","","","","has coordinates","265092","2021-05-11","07:54:23",""
"1562478","9.9846","0.0004","9.9846","0.0004","6.0303","0.0005","90","","90","","120","","520.63","0.05","173","2","173","2","","","","","","","","4","P 63","P 6c","173","praseodymium iron gallium sulphide (3/1/1/7)","praseodymium iron gallium sulphide (3/1/1/7)","","- Fe Ga Pr3 S7 -","- Fe Ga Pr3 S7 -","- Fe2 Ga2 Pr6 S14 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Oliynyk, Anton O.; Mar, Arthur","Rare-earth transition-metal gallium chalcogenides RE3MGaCh7 (M=Fe, Co, Ni; Ch=S, Se)","Journal of Solid State Chemistry","2014","210","1","79","88","10.1016/j.jssc.2013.11.003","","","0.71073","MoKα","","0.0188","0.0177","","","0.0429","0.0432","","","","","","1.107","","","","has coordinates","265092","2021-05-11","07:54:34",""
"1562479","9.6411","0.0013","9.6411","0.0013","6.1024","0.0008","90","","90","","120","","491.23","0.11","173","2","173","2","","","","","","","","4","P 63","P 6c","173","terbium iron gallium sulphide (3/1/1/7)","terbium iron gallium sulphide (3/1/1/7)","","- Fe Ga S7 Tb3 -","- Fe Ga S7 Tb3 -","- Fe2 Ga2 S14 Tb6 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Oliynyk, Anton O.; Mar, Arthur","Rare-earth transition-metal gallium chalcogenides RE3MGaCh7 (M=Fe, Co, Ni; Ch=S, Se)","Journal of Solid State Chemistry","2014","210","1","79","88","10.1016/j.jssc.2013.11.003","","","0.71073","MoKα","","0.0209","0.0181","","","0.0371","0.0383","","","","","","1.055","","","","has coordinates","265092","2021-05-11","07:54:34",""
"1562480","10.1691","0.0013","10.1691","0.0013","6.008","0.0008","90","","90","","120","","538.05","0.12","173","2","173","2","","","","","","","","4","P 63","P 6c","173","lanthanum cobalt gallium sulphide (3/1/1/7)","lanthanum cobalt gallium sulphide (3/1/1/7)","","- Co Ga La3 S7 -","- Co Ga La3 S7 -","- Co2 Ga2 La6 S14 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Oliynyk, Anton O.; Mar, Arthur","Rare-earth transition-metal gallium chalcogenides RE3MGaCh7 (M=Fe, Co, Ni; Ch=S, Se)","Journal of Solid State Chemistry","2014","210","1","79","88","10.1016/j.jssc.2013.11.003","","","0.71073","MoKα","","0.0176","0.0151","","","0.0297","0.0303","","","","","","1.06","","","","has coordinates","265092","2021-05-11","07:54:34",""
"1562481","9.6216","0.001","9.6216","0.001","6.0972","0.0006","90","","90","","120","","488.83","0.09","173","2","173","2","","","","","","","","4","P 63","P 6c","173","terbium cobalt gallium sulphide (3/1/1/7)","terbium cobalt gallium sulphide (3/1/1/7)","","- Co Ga S7 Tb3 -","- Co Ga S7 Tb3 -","- Co2 Ga2 S14 Tb6 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Oliynyk, Anton O.; Mar, Arthur","Rare-earth transition-metal gallium chalcogenides RE3MGaCh7 (M=Fe, Co, Ni; Ch=S, Se)","Journal of Solid State Chemistry","2014","210","1","79","88","10.1016/j.jssc.2013.11.003","","","0.71073","MoKα","","0.0448","0.0447","","","0.1254","0.1254","","","","","","1.477","","","","has coordinates","265092","2021-05-11","07:54:34",""
"1562482","8.6027","0.0002","8.6027","0.0002","43.7712","0.001","90","","90","","90","","3239.35","0.13","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H14 Cu N2 O6 -","- C14 H12 Cu N2 O6 -","- C112 H96 Cu8 N16 O48 -","8","1","","Zavakhina, Marina S.; Samsonenko, Denis G.; Virovets, Alexander V.; Dybtsev, Danil N.; Fedin, Vladimir P.","Homochiral Cu(II) and Ni(II) malates with tunable structural features","Journal of Solid State Chemistry","2014","210","1","125","129","10.1016/j.jssc.2013.11.011","","x-ray","0.71073","MoKα","","0.0427","0.0415","","","0.1498","0.1508","","","","","","1.217","","","","has coordinates","265093","2021-05-11","08:03:04",""
"1562483","8.5911","0.0003","8.5872","0.0003","52.7295","0.0015","90","","90","","90","","3890","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cu N2 O7.5 -","- C16 H14 Cu N2 O7.5 -","- C128 H112 Cu8 N16 O60 -","8","2","","Zavakhina, Marina S.; Samsonenko, Denis G.; Virovets, Alexander V.; Dybtsev, Danil N.; Fedin, Vladimir P.","Homochiral Cu(II) and Ni(II) malates with tunable structural features","Journal of Solid State Chemistry","2014","210","1","125","129","10.1016/j.jssc.2013.11.011","","x-ray","1.54178","CuKα","","0.0529","0.0521","","","0.1387","0.1392","","","","","","1.078","","","","has coordinates","265093","2021-05-11","08:03:05",""
"1562484","9.9916","0.0007","16.3601","0.0014","16.5344","0.0014","90","","90","","90","","2702.8","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15.5 H18 N2 Ni O6.5 -","- C15.5 H18 N2 Ni O6.5 -","- C62 H72 N8 Ni4 O26 -","4","1","","Zavakhina, Marina S.; Samsonenko, Denis G.; Virovets, Alexander V.; Dybtsev, Danil N.; Fedin, Vladimir P.","Homochiral Cu(II) and Ni(II) malates with tunable structural features","Journal of Solid State Chemistry","2014","210","1","125","129","10.1016/j.jssc.2013.11.011","","x-ray","0.71073","MoKα","","0.1392","0.0822","","","0.218","0.2437","","","","","","1.004","","","","has coordinates","265093","2021-05-11","08:03:09",""
"1562485","8.2329","0.0016","13.58","0.003","14.916","0.003","90","","98.01","0.03","90","","1651.4","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- F3 Rb Sn -","- F3 Rb Sn -","- F48 Rb16 Sn16 -","16","4","","Thao Tran, T.; Shiv Halasyamani, P.","Synthesis and characterization of ASnF3 (A=Na+, K+, Rb+, Cs+)","Journal of Solid State Chemistry","2014","210","1","213","218","10.1016/j.jssc.2013.11.025","","","0.71073","MoKα","","0.0295","0.0269","","","0.0712","0.0732","","","","","","1.172","","","","has coordinates","265094","2021-05-11","08:12:49",""
"1562486","4.8635","0.001","6.5374","0.0013","14.295","0.003","90","","90.969","0.002","90","","454.44","0.16","296","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Cs F3 Sn -","- Cs F3 Sn -","- Cs4 F12 Sn4 -","4","1","","Thao Tran, T.; Shiv Halasyamani, P.","Synthesis and characterization of ASnF3 (A=Na+, K+, Rb+, Cs+)","Journal of Solid State Chemistry","2014","210","1","213","218","10.1016/j.jssc.2013.11.025","","","0.71073","MoKα","","0.0179","0.0176","","","0.0423","0.0425","","","","","","1.152","","","","has coordinates","265094","2021-05-11","08:12:49",""
"1562487","20.71","0.007","15.286","0.005","17.893","0.005","90","","102.56","0.005","90","","5529","3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C38 H30 Co2 N4 O8 -","- C38 H30 Co2 N4 O8 -","- C152 H120 Co8 N16 O32 -","4","1","","Jia, Li-Na; Zhao, Yang; Hou, Lei; Cui, Lin; Wang, Hai-Hua; Wang, Yao-Yu","An interpenetrated pillared-layer MOF: Synthesis, structure, sorption and magnetic properties","Journal of Solid State Chemistry","2014","210","1","251","255","10.1016/j.jssc.2013.11.008","","","0.71073","MoKα","","0.1132","0.0677","","","0.1815","0.2016","","","","","","0.925","","","","has coordinates","265095","2021-05-11","08:24:14",""
"1562488","11.059","0.0001","11.059","0.0001","17.879","0.0004","90","","90","","120","","1893.68","0.05","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Al43 Ti4 Yb6 -","- Al43 Ti4 Yb6 -","- Al86 Ti8 Yb12 -","2","0.0833333","","Treadwell, LaRico J.; Watkins-Curry, Pilanda; McAlpin, Jacob D.; Prestigiacomo, Joseph; Stadler, Shane; Chan, Julia Y.","Substitution studies of Mn and Fe in Ln6W4Al43 (Ln=Gd, Yb) and the structure of Yb6Ti4Al43","Journal of Solid State Chemistry","2014","210","1","267","274","10.1016/j.jssc.2013.11.021","","","0.71073","MoKα","","0.0271","0.02","","","0.039","0.0406","","","","","","1.111","","","","has coordinates","265096","2021-05-11","08:49:39",""
"1562489","10.971","0.003","10.971","0.003","17.612","0.005","90","","90","","120","","1835.8","0.9","293","2","293","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Al41.76 Fe1.24 W4 Yb6 -","- Al41.76 Fe1.24 W4 Yb6 -","- Al83.52 Fe2.48 W8 Yb12 -","2","0.0833333","","Treadwell, LaRico J.; Watkins-Curry, Pilanda; McAlpin, Jacob D.; Prestigiacomo, Joseph; Stadler, Shane; Chan, Julia Y.","Substitution studies of Mn and Fe in Ln6W4Al43 (Ln=Gd, Yb) and the structure of Yb6Ti4Al43","Journal of Solid State Chemistry","2014","210","1","267","274","10.1016/j.jssc.2013.11.021","","","0.71073","MoKα","","0.0207","0.0196","","","0.0452","0.0456","","","","","","1.219","","","","has coordinates","265096","2021-05-11","08:49:43",""
"1562490","10.975","0.0001","10.975","0.0001","17.611","0.0003","90","","90","","120","","1837.06","0.04","293","2","293","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Al41.76 Mn1.39 W3.86 Yb6 -","- Al41.752 Mn1.392 W3.856 Yb6 -","- Al83.504 Mn2.784 W7.712 Yb12 -","2","0.0833333","","Treadwell, LaRico J.; Watkins-Curry, Pilanda; McAlpin, Jacob D.; Prestigiacomo, Joseph; Stadler, Shane; Chan, Julia Y.","Substitution studies of Mn and Fe in Ln6W4Al43 (Ln=Gd, Yb) and the structure of Yb6Ti4Al43","Journal of Solid State Chemistry","2014","210","1","267","274","10.1016/j.jssc.2013.11.021","","","0.71073","MoKα","","0.0297","0.0224","","","0.0496","0.0522","","","","","","1.06","","","","has coordinates","265096","2021-05-11","08:49:46",""
"1562491","10.993","0.001","10.993","0.001","17.726","0.003","90","","90","","120","","1855.1","0.4","293","2","293","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Al41.69 Fe1.3 Gd6 W4 -","- Al41.692 Fe1.308 Gd6 W4 -","- Al83.384 Fe2.616 Gd12 W8 -","2","0.0833333","","Treadwell, LaRico J.; Watkins-Curry, Pilanda; McAlpin, Jacob D.; Prestigiacomo, Joseph; Stadler, Shane; Chan, Julia Y.","Substitution studies of Mn and Fe in Ln6W4Al43 (Ln=Gd, Yb) and the structure of Yb6Ti4Al43","Journal of Solid State Chemistry","2014","210","1","267","274","10.1016/j.jssc.2013.11.021","","","0.71073","MoKα","","0.0359","0.0316","","","0.0734","0.0752","","","","","","1.138","","","","has coordinates","265096","2021-05-11","08:49:49",""
"1562492","11.005","0.003","11.005","0.003","17.746","0.008","90","","90","","120","","1861.3","1.1","293","2","293","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Al42.31 Gd6 Mn0.69 W4 -","- Al42.304 Gd6 Mn0.696 W4 -","- Al84.608 Gd12 Mn1.392 W8 -","2","0.0833333","","Treadwell, LaRico J.; Watkins-Curry, Pilanda; McAlpin, Jacob D.; Prestigiacomo, Joseph; Stadler, Shane; Chan, Julia Y.","Substitution studies of Mn and Fe in Ln6W4Al43 (Ln=Gd, Yb) and the structure of Yb6Ti4Al43","Journal of Solid State Chemistry","2014","210","1","267","274","10.1016/j.jssc.2013.11.021","","","0.71073","MoKα","","0.0225","0.0212","","","0.0565","0.0571","","","","","","1.114","","","","has coordinates","265096","2021-05-11","08:49:49",""
"1562493","9.643","0.005","10.148","0.004","11.571","0.005","74.364","0.005","78.652","0.006","68.72","0.005","1009.9","0.8","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 Co N3 O6 -","- C20 H15 Co N3 O6 -","- C40 H30 Co2 N6 O12 -","2","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Keskin, Seda; Şahin, Onur","Gas adsorption/separation properties of metal directed self-assembly of two coordination polymers with 5-nitroisophthalate","Journal of Solid State Chemistry","2014","210","1","280","286","10.1016/j.jssc.2013.11.010","","","0.71073","MoKα","","0.0433","0.0336","","","0.0863","0.0939","","","","","","1.014","","","","has coordinates","265097","2021-05-11","08:53:47",""
"1562494","15.0626","0.0005","9.0935","0.0003","15.9264","0.0006","90","","92.588","0.002","90","","2179.24","0.13","296","","296","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H15 N3 O6 Zn -","- C20 H15 N3 O6 Zn -","- C80 H60 N12 O24 Zn4 -","4","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Keskin, Seda; Şahin, Onur","Gas adsorption/separation properties of metal directed self-assembly of two coordination polymers with 5-nitroisophthalate","Journal of Solid State Chemistry","2014","210","1","280","286","10.1016/j.jssc.2013.11.010","","","0.71073","MoKα","","0.079","0.0595","","","0.1762","0.187","","","","","","1.136","","","","has coordinates","265097","2021-05-11","08:53:48",""
"1562495","12.9364","0.0012","20.5172","0.0018","21.7424","0.0019","90","","96.813","0.001","90","","5730.1","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 Mo12 N7 O44.5 P -","- C27 H31 Mo12 N7 O44.5 P -","- C108 H124 Mo48 N28 O178 P4 -","4","1","","Wei, Mei-Lin; Wang, Yu-Xia; Wang, Xin-Jun","Two proton-conductive hybrids based on 2-(3-pyridyl)benzimidazole molecules and Keggin-type heteropolyacids","Journal of Solid State Chemistry","2014","209","","29","36","10.1016/j.jssc.2013.10.030","","","0.71073","MoKα","","0.0377","0.0355","","","0.0932","0.0945","","","","","","1.075","","","","has coordinates","265098","2021-05-11","08:59:30",""
"1562496","17.25","0.003","12.766","0.002","25.95","0.005","90","","100.68","0.006","90","","5615.6","1.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Mo12 N7 O44 P -","- C26 H31 Mo12 N7 O44 P -","- C104 H124 Mo48 N28 O176 P4 -","4","1","","Wei, Mei-Lin; Wang, Yu-Xia; Wang, Xin-Jun","Two proton-conductive hybrids based on 2-(3-pyridyl)benzimidazole molecules and Keggin-type heteropolyacids","Journal of Solid State Chemistry","2014","209","","29","36","10.1016/j.jssc.2013.10.030","","","0.71073","MoKα","","0.1149","0.0535","","","0.1053","0.1208","","","","","","0.97","","","","has coordinates","265098","2021-05-11","08:59:31",""
"1566115","12.268","0.003","12.391","0.003","13.236","0.003","75.84","0.03","67.39","0.03","76.59","0.03","1779.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 F N2 O2 -","- C21 H21 F N2 O2 -","- C84 H84 F4 N8 O8 -","4","2","","Su, Qing; Li, Pei; He, Mina; Wu, Qiaolin; Ye, Ling; Mu, Ying; Ma, Yudan","A new anilido-imine compound containing o-OMe-anilinyl derived from an unexpected adduct: Synthesis, crystal structure and its coordination capability","Comptes Rendus Chimie","2014","17","4","377","385","10.1016/j.crci.2013.09.005","","","0.71073","MoKα","","0.213","0.1258","","","0.3184","0.3737","","","","","","1.046","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1566116","11.736","0.002","7.3385","0.0015","11.975","0.002","90","","119.23","0.03","90","","900","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C42 H40 N4 O4 -","2","1","","Su, Qing; Li, Pei; He, Mina; Wu, Qiaolin; Ye, Ling; Mu, Ying; Ma, Yudan","A new anilido-imine compound containing o-OMe-anilinyl derived from an unexpected adduct: Synthesis, crystal structure and its coordination capability","Comptes Rendus Chimie","2014","17","4","377","385","10.1016/j.crci.2013.09.005","","","0.71073","MoKα","","0.0634","0.0401","","","0.0819","0.0888","","","","","","1.04","","","","has coordinates","272219","2022-01-25","10:13:09",""
"1566117","17.954","0.004","13.364","0.003","19.999","0.004","90","","108.54","0.03","90","","4549.5","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H58 N4 O4 Zn3 -","- C50 H58 N4 O4 Zn3 -","- C200 H232 N16 O16 Zn12 -","4","0.5","","Su, Qing; Li, Pei; He, Mina; Wu, Qiaolin; Ye, Ling; Mu, Ying; Ma, Yudan","A new anilido-imine compound containing o-OMe-anilinyl derived from an unexpected adduct: Synthesis, crystal structure and its coordination capability","Comptes Rendus Chimie","2014","17","4","377","385","10.1016/j.crci.2013.09.005","","","0.71073","MoKα","","0.1606","0.0841","","","0.2031","0.2421","","","","","","1.041","","","","has coordinates","272219","2022-01-25","10:13:10",""
"1566118","15.594","0.0007","7.3471","0.0004","15.0885","0.0007","90","","115.877","0.003","90","","1555.37","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Br4 Hg2 O4 S2 -","- C22 H28 Br4 Hg2 O4 S2 -","- C44 H56 Br8 Hg4 O8 S4 -","2","0.5","","Sabounchei, Seyyed Javad; Bagherjeri, Fateme Akhlaghi; Hosseinzadeh, Marjan; Boskovic, Colette; Gable, Robert W.","X-ray crystal structure and spectral characterization of pseudo five-coordinate Hg(II) polymeric and four-coordinate binuclear complexes of an ambidentate sulfonium ylide","Comptes Rendus Chimie","2014","17","12","1257","1263","10.1016/j.crci.2014.03.016","","","0.71073","MoKα","","0.0903","0.0796","","","0.2016","0.2121","","","","","","1.075","","","","has coordinates","272220","2022-01-25","10:17:25",""
"1566119","10.1329","0.0003","12.4857","0.0004","15.387","0.0007","110.37","0.004","96.693","0.003","90.526","0.003","1809.94","0.12","130","0.1","130","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 Cl4 Hg2 O6 S4 -","- C26 H40 Cl4 Hg2 O6 S4 -","- C52 H80 Cl8 Hg4 O12 S8 -","2","1","","Sabounchei, Seyyed Javad; Bagherjeri, Fateme Akhlaghi; Hosseinzadeh, Marjan; Boskovic, Colette; Gable, Robert W.","X-ray crystal structure and spectral characterization of pseudo five-coordinate Hg(II) polymeric and four-coordinate binuclear complexes of an ambidentate sulfonium ylide","Comptes Rendus Chimie","2014","17","12","1257","1263","10.1016/j.crci.2014.03.016","","","0.7107","MoKα","","0.0601","0.0436","","","0.1029","0.1137","","","","","","1.057","","","","has coordinates","272220","2022-01-25","10:17:25",""
"1566128","8.1759","0.0002","9.4443","0.0002","9.5483","0.0002","69.357","0.001","71.492","0.001","79.676","0.001","652.37","0.03","296","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cu2 N6 O4 S2 -","- C26 H22 Cu2 N6 O4 S2 -","- C26 H22 Cu2 N6 O4 S2 -","1","0.5","","Savard, Didier; Storr, Tim; Leznoff, Daniel B.","Magnetostructural characterization of copper(II) hydroxide dimers and coordination polymers coordinated to apical isothiocyanate and cyanide-based counteranions","Canadian Journal of Chemistry","2014","92","10","1021","1030","10.1139/cjc-2014-0186","","","0.71073","MoKα","","0.0775","0.0368","","0.0615","0.034","0.034","","","","","","1.0534","","","","has coordinates","272245","2022-01-26","10:38:26",""
"1566129","8.1569","0.0009","9.6888","0.001","16.5639","0.0016","75.686","0.004","83.677","0.004","73.445","0.004","1214.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu2 N6 O3 S2 -","- C22 H18 Cu2 N6 O3 S2 -","- C44 H36 Cu4 N12 O6 S4 -","2","1","","Savard, Didier; Storr, Tim; Leznoff, Daniel B.","Magnetostructural characterization of copper(II) hydroxide dimers and coordination polymers coordinated to apical isothiocyanate and cyanide-based counteranions","Canadian Journal of Chemistry","2014","92","10","1021","1030","10.1139/cjc-2014-0186","","","1.54178","CuKα","","0.0546","0.0524","","","0.1708","0.1733","","","","","","1.134","","","","has coordinates","272245","2022-01-26","10:38:30",""
"1566130","8.226","0.0001","10.139","0.0001","11.455","0.0002","105.971","0.0008","107.176","0.0008","102.436","0.0008","830.53","0.02","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Au2 Cu2 N12 O4 -","- C28 H22 Au2 Cu2 N12 O4 -","- C28 H22 Au2 Cu2 N12 O4 -","1","0.5","","Savard, Didier; Storr, Tim; Leznoff, Daniel B.","Magnetostructural characterization of copper(II) hydroxide dimers and coordination polymers coordinated to apical isothiocyanate and cyanide-based counteranions","Canadian Journal of Chemistry","2014","92","10","1021","1030","10.1139/cjc-2014-0186","","","0.71073","MoKα","","0.0206","0.0197","","","0.0467","0.0471","","","","","","1.141","","","","has coordinates","272245","2022-01-26","10:38:40",""
"1566131","22.291","0.002","7.871","0.0007","20.6325","0.0018","90","","118.248","0.004","90","","3188.9","0.5","296","2","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 Au2 Cu2 N12 O2 -","- C28 H18 Au2 Cu2 N12 O2 -","- C112 H72 Au8 Cu8 N48 O8 -","4","0.5","","Savard, Didier; Storr, Tim; Leznoff, Daniel B.","Magnetostructural characterization of copper(II) hydroxide dimers and coordination polymers coordinated to apical isothiocyanate and cyanide-based counteranions","Canadian Journal of Chemistry","2014","92","10","1021","1030","10.1139/cjc-2014-0186","","","0.71073","MoKα","","0.0611","0.0318","","0.0595","0.0283","0.0273","","","","","","1.0177","","","","has coordinates","272245","2022-01-26","10:38:43",""
"1566132","8.534","0.0003","9.2598","0.0003","10.3664","0.0003","69.455","0.002","68.16","0.002","86.479","0.002","709.77","0.04","299","2","293","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H34 Cu2 N8 O2 Pt S4 -","- C16 H34 Cu2 N8 O2 Pt S4 -","- C16 H34 Cu2 N8 O2 Pt S4 -","1","0.5","","Savard, Didier; Storr, Tim; Leznoff, Daniel B.","Magnetostructural characterization of copper(II) hydroxide dimers and coordination polymers coordinated to apical isothiocyanate and cyanide-based counteranions","Canadian Journal of Chemistry","2014","92","10","1021","1030","10.1139/cjc-2014-0186","","","0.71073","MoKα","","0.0587","0.0415","","0.0469","0.037","0.0356","","","","","","1.0919","","","","has coordinates","272245","2022-01-26","10:38:53",""
"1566324","8.8556","0.0009","13.9819","0.0015","14.307","0.003","96.749","0.012","98.754","0.012","99.726","0.009","1706.9","0.4","301","1","301","","","","","","","","","3","P -1","-P 1","2","","","","- O37.895 S U6 -","- O37.9 S U6 -","- O75.8 S2 U12 -","2","1","","Jakub Plasil; Jiri Sejkora; Radek Skoda; Pavel Skacha","The recent weathering of uraninite from the Cervena vein, Jachymov (Czech Republic): a fingerprint of the primary mineralization geochemistry onto the alteration association","Journal of GeoSciences","2014","59","","223","253","10.3190/jgeosci.171","","x-ray","0.7107","MoKα","","0.2719","0.0995","","","0.2094","0.3162","","","","1.59","1.59","1.14","","","","has coordinates","272827","2022-02-07","08:42:58",""
"1566325","24.282","0.004","12.117","0.0018","13.6174","0.0017","90","","106.33","0.01","90","","3844.9","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- K0.68 Mo2.08 Na4.32 O22 S0.42 U4 -","- K0.68 Mo2.0775 Na4.32 O22 S0.4225 U4 -","- K5.44 Mo16.62 Na34.56 O176 S3.38 U32 -","8","1","","Sergey V. Krivovichev","K2Na8(UO2)8Mo4O24[(S,Mo)O4], the first uranium molybdosulfate: synthesis, crystal structure, and comparison to related compounds","Journal of GeoSciences","2014","59","","115","121","10.3190/jgeosci.166","","","0.71073","MoKα","","0.086","0.058","","","0.1296","0.1446","","","","","","1.134","","","","has coordinates","272828","2022-02-07","08:47:33",""
"1566326","12.001","0.003","13.613","0.003","13.753","0.003","90","","109.187","0.004","90","","2122","0.8","210","2","210","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- K1.5 O21 Se3 U2 -","- K1.5 O21 Se3 U2 -","- K6 O84 Se12 U8 -","4","1","","Vladislav V. Gurzhiy; Olga V. Tyumentseva; Ilya V. Kornyakov; Sergey V. Krivovichev; Ivan G. Tananaev","The role of potassium atoms in the formation of uranyl selenates: the crystal structure and synthesis of two novel compounds","Journal of GeoSciences","2014","59","","123","133","10.3190/jgeosci.165","","","0.71073","MoKα","","0.0431","0.0289","","","0.0837","0.0867","","","","","","1.036","","","","has coordinates","272829","2022-02-07","08:53:04",""
"1566327","20.29","0.004","10.38","0.0018","21.436","0.004","90","","103.446","0.003","90","","4390.9","1.4","210","2","210","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H20 K5 N O45 Se6 U4 -","- H20 K5 N O45 Se6 U4 -","- H80 K20 N4 O180 Se24 U16 -","4","0.5","","Vladislav V. Gurzhiy; Olga V. Tyumentseva; Ilya V. Kornyakov; Sergey V. Krivovichev; Ivan G. Tananaev","The role of potassium atoms in the formation of uranyl selenates: the crystal structure and synthesis of two novel compounds","Journal of GeoSciences","2014","59","","123","133","10.3190/jgeosci.165","","","0.71073","MoKα","","0.039","0.0268","","","0.0657","0.0685","","","","","","1.03","","","","has coordinates","272830","2022-02-07","08:53:17",""
"1566328","21.1507","0.0006","5.3469","0.0012","34.6711","0.0009","90","","104.913","0.003","90","","3788.9","0.9","320","0.1","320","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cl H4 Na7 O20 S4 U -","- Cl H4 Na7 O20 S4 U -","- Cl8 H32 Na56 O160 S32 U8 -","8","1","","Jakub Plasil; Anthony R. Kampf; Anatoly V. Kasatkin; Joe Marty","Bluelizardite, Na7(UO2)(SO4)4Cl(H2O)2, a new uranyl sulfate mineral from the Blue Lizard mine, San Juan County, Utah, USA","Journal of GeoSciences","2014","59","","145","158","10.3190/jgeosci.159","","x-ray","0.7107","MoKα","","0.0205","0.0163","","","0.0383","0.0398","","","","1.17","1.17","1.15","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1566329","12.208","0.005","3.6011","0.0015","18.358","0.007","90","","118.538","0.008","90","","709","0.5","293","2","293","2","","","","","","","","4","A 1 2/m 1","-A 2y","12","","","","- Ca H6 O19 V6 -","- Ca O19 V6 -","- Ca2 O38 V12 -","2","0.25","","Mark A. Cooper; Frank C. Hawthorne; Vladimir Y. Karpenko; Leonid A. Pautov; Atali A. Agakhanov","Metahewettite, Ca(V5+6O16)(H2O)3, from Hodzha-Rushnai-Mazar, southern Kirgizia: occurrence and crystal structure","Journal of GeoSciences","2014","59","","159","168","10.3190/jgeosci.167","","","0.71073","MoKα","","0.0301","0.0244","","","0.0649","0.0667","","","","","","1.156","","","","has coordinates","272832","2022-02-07","09:04:45",""
"1566651","17.124","0.0003","17.124","0.0003","17.124","0.0003","90","","90","","90","","5021.29","0.15","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- D2 O -","- D2 O -","- D272 O136 -","136","0.708333","","Falenty, A.; Hansen, T. C.; Kuhs, W. F.","Formation and properties of ice XVI obtained by emptying a type sII clathrate hydrate","Nature","2014","516","","231","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273845","2022-03-20","08:25:05",""
"1566958","14.303","0.01","13.119","0.009","7.702","0.005","90","","90","","90","","1445.2","1.7","296.1","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C5 H11 B O3 -","- C5 H11 B O3 -","- C40 H88 B8 O24 -","8","1","","Itou, Takahiko; Kitai, Hideyuki; Shimazu, Akira; Miyazaki, Tsukasa; Tashiro, Kohji","Clarification of Cross-Linkage Structure in Boric Acid Doped Poly(vinyl alcohol) and Its Model Compound As Studied by an Organized Combination of X-ray Single-Crystal Structure Analysis, Raman Spectroscopy, and Density Functional Theoretical Calculation","The Journal of Physical Chemistry B","2014","118","22","6032","6037","10.1021/jp5026569","","","0.71075","MoKa","","","0.061","","","","0.0906","","","","","","2.06","","","","has coordinates","275370","2022-05-12","17:01:13",""
"2019372","8.6637","0.001","10.3098","0.0013","10.7255","0.0013","76.253","0.01","71.401","0.009","70.983","0.009","848.81","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Propyl-2-thiouracil","","- C7 H10 N2 O S -","- C7 H10 N2 O S -","- C28 H40 N8 O4 S4 -","4","2","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.0507","0.0401","","","0.1002","0.1048","","","","","","1","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019373","4.3141","0.0006","16.9101","0.0018","8.9965","0.0012","90","","93.593","0.01","90","","655.02","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Methoxy-2-thiouracil","","- C5 H6 N2 O2 S -","- C5 H6 N2 O2 S -","- C20 H24 N8 O8 S4 -","4","1","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.05","0.043","","","0.1082","0.1119","","","","","","1.064","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019374","13.225","0.003","6.4726","0.0008","13.867","0.003","90","","97.17","0.015","90","","1177.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","5-Methoxy-2-thiouracil‒dimethylacetamide (1/1)","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","1","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.1152","0.0766","","","0.1736","0.1901","","","","","","1.115","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019375","6.8295","0.001","15.2624","0.0018","7.0948","0.0011","90","","112.336","0.011","90","","684.04","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,6-Dimethyl-2-thiouracil","","- C6 H8 N2 O S -","- C6 H8 N2 O S -","- C24 H32 N8 O4 S4 -","4","1","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.0587","0.0568","","","0.1466","0.1487","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019376","15.2437","0.0006","6.8275","0.0017","23.555","0.002","90","","90","","90","","2451.5","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,6-Dimethyl-2-thiouracil‒1-methylpyrrolidin-2-one (1/1)","","- C11 H17 N3 O2 S -","- C11 H17 N3 O2 S -","- C88 H136 N24 O16 S8 -","8","1","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.0638","0.0584","","","0.1249","0.1286","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019377","8.5895","0.0013","8.6241","0.0014","15.35","0.002","100.404","0.013","95.341","0.012","119.496","0.011","951.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5,6-Dimethyl-2-thiouracil‒dimethylformamide (2/1)","","- C15 H23 N5 O3 S2 -","- C15 H23 N5 O3 S2 -","- C30 H46 N10 O6 S4 -","2","1","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.0519","0.0431","","","0.1119","0.1193","","","","","","1.06","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019378","8.0876","0.0014","11.1034","0.0017","11.9115","0.0017","80.017","0.012","70.979","0.012","75.575","0.013","974.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5,6-Dimethyl2-thiouracil‒dimethylacetamide (2/1)","","- C16 H25 N5 O3 S2 -","- C16 H25 N5 O3 S2 -","- C32 H50 N10 O6 S4 -","2","1","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.0458","0.0349","","","0.0897","0.094","","","","","","1.019","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019379","8.1597","0.0014","22.612","0.003","10.5576","0.0017","90","","105.459","0.013","90","","1877.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,6-Dimethyl-2-thiouracil‒dimethyl sulfoxide (2/1)","","- C7 H11 N2 O1.5 S1.5 -","- C7 H11 N2 O1.5 S1.5 -","- C56 H88 N16 O12 S12 -","8","2","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.0903","0.0705","","","0.1709","0.1797","","","","","","1.11","","","","has coordinates","188723","2020-10-21","18:00:00",""
"2019380","6.1241","0.0012","8.4939","0.0017","10.224","0.002","67.94","0.03","80.46","0.03","77.48","0.03","479.1","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Poly[[aqua(μ-oxalato)[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione]cadmium(II)] monohydrate]","","- C4 H7 Cd N3 O6 S -","- C4 H7 Cd N3 O6 S -","- C8 H14 Cd2 N6 O12 S2 -","2","1","WQ3053","Liang, Qian; Wang, Yu-Lin; Zhao, Yan; Cao, Gao-Juan","The coordination polymer poly[[aqua(μ-oxalato)[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione]cadmium(II)] monohydrate]","Acta Crystallographica Section C","2014","70","2","182","184","10.1107/S2053229614000102","","","0.71073","MoKα","","0.0239","0.0231","","","0.0562","0.0609","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019381","9.4532","0.0009","6.1789","0.0008","24.906","0.003","90","","96.513","0.011","90","","1445.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzamidinium 3-methoxybenzoate","[Amino(phenyl)methylidene]azanium 3-methoxybenzoate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","BG3168","Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. III. Three molecular salts of 3-methoxy-, 4-methoxy- and 3,4,5-trimethoxybenzoates with benzamidine","Acta Crystallographica Section C","2014","70","2","225","229","10.1107/S2053229614001090","","","0.71069","MoKα","","0.093","0.0549","","","0.1131","0.1273","","","","","","1.049","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019382","9.4676","0.0007","6.8888","0.0006","21.7018","0.0012","90","","92.4498","0.0007","90","","1414.11","0.18","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzamidinium 4-methoxybenzoate","[Amino(phenyl)methylidene]azanium 4-methoxybenzoate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","BG3168","Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. III. Three molecular salts of 3-methoxy-, 4-methoxy- and 3,4,5-trimethoxybenzoates with benzamidine","Acta Crystallographica Section C","2014","70","2","225","229","10.1107/S2053229614001090","","","0.71069","MoKα","","0.1326","0.0544","","","0.1002","0.1171","","","","","","0.927","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019383","22.8771","0.0015","7.8631","0.0003","23.1789","0.0013","90","","117.515","0.008","90","","3697.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzamidinium 3,4,5-trimethoxybenzoate monohydrate","[Amino(phenyl)methylidene]azanium 3,4,5-trimethoxybenzoate monohydrate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C136 H176 N16 O48 -","8","2","BG3168","Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. III. Three molecular salts of 3-methoxy-, 4-methoxy- and 3,4,5-trimethoxybenzoates with benzamidine","Acta Crystallographica Section C","2014","70","2","225","229","10.1107/S2053229614001090","","","0.71069","MoKα","","0.0911","0.0566","","","0.1211","0.1342","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019384","11.1321","0.0008","20.371","0.001","21.0194","0.0002","62.239","0.001","88.847","0.001","74.372","0.001","4030.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1,1,3,3,5,5,7,7-Octabutyl-7-[((<i>E</i>)-2-cyano-3-{9-[2-(2-methoxyethoxy)ethyl]-9<i>H</i>-carbazol-3-yl}prop-2-enoyl)oxy]-4,8-dimethyl-2,4,6,8-tetroxa-1,3,5,7-tetrastannatricyclo[4.2.0.0^2,5^]oct-3-yl (<i>E</i>)-2-cyano-3-{9-[2-(2-methoxyethoxy)ethyl]-9<i>H</i>-carbazol-3-yl}prop-2-enoate","","- C76 H116 N4 O12 Sn4 -","- C76 H116 N4 O12 Sn4 -","- C152 H232 N8 O24 Sn8 -","2","1","","Wang, Hui; Liu, Wen-Mo; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng","A tetranuclear organotin compound consisting of a core of three fused Sn~2~O~2~ rings","Acta Crystallographica Section C","2014","70","2","185","188","10.1107/S2053229614000758","","","0.71073","MoKα","","0.0522","0.0393","","","0.1139","0.1224","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019385","7.4793","0.0006","15.641","0.0013","12.0962","0.0011","90","","104.831","0.005","90","","1367.9","0.2","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-Bis(2,6-difluorophenyl)penta-1,4-dien-3-one","","- C17 H10 F4 O -","- C17 H10 F4 O -","- C68 H40 F16 O4 -","4","1","EG3145","Schwarzer, Anke; Weber, Edwin","Photochemical dimerization of a fluorinated dibenzylideneacetone in chloroform solution","Acta Crystallographica Section C","2014","70","2","202","206","10.1107/S2053229613034232","","","0.71073","MoKα","","0.0888","0.0438","","","0.1015","0.1163","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019386","7.6508","0.0002","11.1075","0.0003","15.6428","0.0003","90","","91.572","0.001","90","","1328.84","0.06","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>,2'<i>E</i>)-1,1'-[2,4-Bis(2,6-difluorophenyl)cyclobutane-1,3-diyl]bis[3-(2,6-difluorophenyl)prop-2-en-1-one]","","- C34 H20 F8 O2 -","- C34 H20 F8 O2 -","- C68 H40 F16 O4 -","2","0.5","EG3145","Schwarzer, Anke; Weber, Edwin","Photochemical dimerization of a fluorinated dibenzylideneacetone in chloroform solution","Acta Crystallographica Section C","2014","70","2","202","206","10.1107/S2053229613034232","","","0.71073","MoKα","","0.0411","0.0322","","","0.0847","0.09","","","","","","1.069","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019387","13.9269","0.0004","11.9137","0.0003","14.0158","0.0005","90","","96.665","0.003","90","","2309.8","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis{2-[(3,5-diphenyl-1<i>H</i>-pyrrol-2-ylidene-κ<i>N</i>)amino]-3,5-diphenylpyrrol-1-ido-κ<i>N</i>}palladium(II)","","- C64 H44 N6 Pd -","- C64 H44 N6 Pd -","- C128 H88 N12 Pd2 -","2","0.5","GZ3242","Jones, Roderick C.; Müller-Bunz, Helge; Evans, Paul; O'Shea, Donal F.","Bis{2-[(3,5-diphenyl-1<i>H</i>-pyrrol-2-ylidene-κ<i>N</i>)amino]-3,5-diphenylpyrrol-1-ido-κ<i>N</i>}palladium(II): a homoleptic four-coordinate tetraphenylazadipyrromethene complex of palladium","Acta Crystallographica Section C","2014","70","2","165","168","10.1107/S2053229614000084","","","1.54184","CuKα","","0.0641","0.0503","","","0.1177","0.1252","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019388","13.0883","0.0004","6.0413","0.0001","14.5542","0.0004","90","","115.306","0.003","90","","1040.37","0.05","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,3-Dimethyl-2,6-dioxo-7<i>H</i>-purin-9-ium tetrafluoroborate","","- C7 H9 B F4 N4 O2 -","- C7 H9 B F4 N4 O2 -","- C28 H36 B4 F16 N16 O8 -","4","1","GZ3251","Buist, Amanda R.; Kennedy, Alan R.; Manzie, Craig","Four salt phases of theophylline","Acta Crystallographica Section C","2014","70","2","220","224","10.1107/S2053229614000825","","","0.71073","MoKα","","0.0397","0.0334","","","0.0772","0.0816","","","","","","1.046","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019389","13.8664","0.0007","6.4623","0.0003","11.3634","0.0006","90","","90","","90","","1018.26","0.09","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,3-Dimethyl-2,6-dioxo-7<i>H</i>-purin-9-ium chloride","","- C7 H11 Cl N4 O3 -","- C7 H11 Cl N4 O3 -","- C28 H44 Cl4 N16 O12 -","4","0.5","GZ3251","Buist, Amanda R.; Kennedy, Alan R.; Manzie, Craig","Four salt phases of theophylline","Acta Crystallographica Section C","2014","70","2","220","224","10.1107/S2053229614000825","","","1.5418","CuKα","","0.0293","0.029","","","0.081","0.0813","","","","","","1.117","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019390","14.012","0.0005","6.6151","0.0003","11.5297","0.0004","90","","90","","90","","1068.7","0.07","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,3-Dimethyl-2,6-dioxo-7<i>H</i>-purin-9-ium chloride monohydrate","","- C7 H11 Br N4 O3 -","- C7 H11 Br N4 O3 -","- C28 H44 Br4 N16 O12 -","4","0.5","GZ3251","Buist, Amanda R.; Kennedy, Alan R.; Manzie, Craig","Four salt phases of theophylline","Acta Crystallographica Section C","2014","70","2","220","224","10.1107/S2053229614000825","","","0.71073","MoKα","","0.0314","0.0251","","","0.0553","0.0577","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019391","32.081","0.003","4.5028","0.0003","12.8256","0.001","90","","103.524","0.009","90","","1801.3","0.3","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1,3-Dimethyl-2,6-dioxo-7<i>H</i>-purin-9-ium bromide monohydrate","","- C7 H9 Cl N4 O2 -","- C7 H9 Cl N4 O2 -","- C56 H72 Cl8 N32 O16 -","8","2","GZ3251","Buist, Amanda R.; Kennedy, Alan R.; Manzie, Craig","Four salt phases of theophylline","Acta Crystallographica Section C","2014","70","2","220","224","10.1107/S2053229614000825","","","1.5418","CuKα","","0.0508","0.0475","","","0.126","0.1297","","","","","","1.073","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019392","15.119","0.003","15.119","0.003","10.368","0.004","90","","90","","90","","2370","1.1","291","2","291","2","","","","","","","","5","I -4","I -4","82","","Poly[tetrachlorido{μ~4~-tetrakis[(imidazol-1-yl)methyl]methane-κ^4^<i>N</i>^3^:<i>N</i>^3'^:<i>N</i>^3''^:<i>N</i>^3'''^}dizinc(II)]","","- C17 H20 Cl4 N8 Zn2 -","- C17 H20 Cl4 N8 Zn2 -","- C68 H80 Cl16 N32 Zn8 -","4","0.5","WQ3052","Su, Jian; Yao, Liu-Di; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng","Poly[tetrachlorido{μ~4~-tetrakis[(imidazol-1-yl)methyl]methane-κ^4^<i>N</i>^3^:<i>N</i>^3'^:<i>N</i>^3''^:<i>N</i>^3'''^}dizinc(II)] exhibiting a three-dimensional diamond topology","Acta Crystallographica Section C","2014","70","2","194","197","10.1107/S2053229614000047","","","0.71073","MoKα","","0.0437","0.0339","","","0.0436","0.0448","","","","","","0.943","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019393","11.773","0.002","9.9525","0.0018","13.76","0.003","90","","114.519","0.01","90","","1466.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-[(5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)methylidene]-2-phenylhydrazine","","- C17 H15 Cl N4 -","- C17 H15 Cl N4 -","- C68 H60 Cl4 N16 -","4","1","SF3218","Trilleras, Jorge; Utria, Michael; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-1-[(5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)methylidene]-2-phenylhydrazine: sheets built from π-stacked hydrogen-bonded chains","Acta Crystallographica Section C","2014","70","2","216","219","10.1107/S2053229614000680","","","0.71073","MoKα","","0.0902","0.0527","","","0.1185","0.1385","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019394","7.0696","0.0008","17.2872","0.0016","6.6046","0.0007","90","","115.198","0.01","90","","730.36","0.14","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[di-μ-chlorido-μ~4~-[1,4-bis(pyridazin-4-yl)benzene- -1:2:3:4κ^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^1'^:<i>N</i>^2'^]dicopper(I)]","","- C14 H10 Cl2 Cu2 N4 -","- C14 H10 Cl2 Cu2 N4 -","- C28 H20 Cl4 Cu4 N8 -","2","0.5","SF3217","Degtyarenko, Anna S.; Domasevitch, Konstantin V.","Anion···π interactions in copper(I) chloride and bromide coordination polymers bearing 1,4-bis(pyridazin-4-yl)benzene ligands","Acta Crystallographica Section C","2014","70","2","173","177","10.1107/S2053229613034840","","","0.71073","MoKα","","0.0282","0.0225","","","0.0519","0.0528","","","","","","0.916","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019395","7.1998","0.0006","17.7305","0.0013","6.7135","0.0006","90","","115.668","0.009","90","","772.45","0.12","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[di-μ-bromido-μ~4~-[1,4-bis(pyridazin-4-yl)benzene- -1:2:3:4κ^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^1'^:<i>N</i>^2'^]dicopper(I)]","","- C14 H10 Br2 Cu2 N4 -","- C14 H10 Br2 Cu2 N4 -","- C28 H20 Br4 Cu4 N8 -","2","0.5","SF3217","Degtyarenko, Anna S.; Domasevitch, Konstantin V.","Anion···π interactions in copper(I) chloride and bromide coordination polymers bearing 1,4-bis(pyridazin-4-yl)benzene ligands","Acta Crystallographica Section C","2014","70","2","173","177","10.1107/S2053229613034840","","","0.71073","MoKα","","0.0375","0.0305","","","0.0727","0.0744","","","","","","0.934","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019396","11.417","0.002","15.127","0.003","13.953","0.003","90","","113.56","0.03","90","","2208.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ~2~-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'][μ~2~-2,2'-(diazenediyl)dibenzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']cadmium(II)]","","- C26 H18 Cd N4 O4 -","- C26 H18 Cd N4 O4 -","- C104 H72 Cd4 N16 O16 -","4","1","FN3160","Liu, Lei-Lei; Zhou, Yan; Li, Ping; Tian, Jiang-Ya","A two-dimensional bilayered Cd^II^ coordination polymer with a three-dimensional supramolecular architecture incorporating 1,2-bis(pyridin-4-yl)ethene and 2,2'-(diazenediyl)dibenzoic acid","Acta Crystallographica Section C","2014","70","2","178","181","10.1107/S2053229613034591","","","0.71073","MoKα","","0.0392","0.0269","","","0.059","0.0648","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019397","25.3826","0.0008","18.3013","0.0005","15.0344","0.0005","90","","122.244","0.001","90","","5907","0.3","223.15","","223.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(μ~3~-cyclohexane-1,3,5-tricarboxylato)bis[μ~3~-1,3,5-tris(imidazol-1-ylmethyl)benzene]trizinc(II)] hexahydrate]","","- C54 H66 N12 O18 Zn3 -","- C54 H66 N12 O18 Zn3 -","- C216 H264 N48 O72 Zn12 -","4","0.5","SK3520","Zhong, Kai-Long","A novel three-dimensional Zn^II^ coordination polymer with 1,3,5-tris(imidazol-1-ylmethyl)benzene and cyclohexane-1,3,5-tricarboxylate ligands","Acta Crystallographica Section C","2014","70","2","189","193","10.1107/S2053229613034347","","","0.71073","MoKα","","0.0487","0.0356","","","0.092","0.098","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019398","13.182","0.003","13.214","0.003","12.374","0.003","90","","91.58","0.03","90","","2154.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[trimethylsulfonium [[dichloridoantimony(III)]-di-μ-chlorido]]","","- C3 H9 Cl4 S Sb -","- C3 H9 Cl4 S Sb -","- C24 H72 Cl32 S8 Sb8 -","8","1","KU3119","Liu, Ming-Liang; Kong, Li-Hui","Two novel trimethylsulfonium salts with polymeric {[SbCl~4~]^{-^}}~<i>n~</i> or {[CdCl~3~]^{-^}}~<i>n~</i> anions","Acta Crystallographica Section C","2014","70","2","169","172","10.1107/S2053229613034207","","","0.71073","MoKα","","0.0225","0.0204","","","0.0443","0.0448","","","","","","1.217","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019399","6.7443","0.0013","9.005","0.0018","15.224","0.003","90","","90","","90","","924.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[trimethylsulfonium [cadmium(II)-tri-μ-chlorido]]","","- C3 H9 Cd Cl3 S -","- C3 H9 Cd Cl3 S -","- C12 H36 Cd4 Cl12 S4 -","4","1","KU3119","Liu, Ming-Liang; Kong, Li-Hui","Two novel trimethylsulfonium salts with polymeric {[SbCl~4~]^{-^}}~<i>n~</i> or {[CdCl~3~]^{-^}}~<i>n~</i> anions","Acta Crystallographica Section C","2014","70","2","169","172","10.1107/S2053229613034207","","","0.71073","MoKα","","0.0313","0.0293","","","0.0754","0.0768","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019400","5.102","0.001","14.464","0.003","9.226","0.0018","90","","104.74","0.03","90","","658.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium [nickel(II)/iron(II)] iron(III) bis(orthophosphate)","","- Fe1.07 K Ni0.93 O8 P2 -","- Fe1.069 K Ni0.931 O8 P2 -","- Fe4.276 K4 Ni3.724 O32 P8 -","4","1","KU3117","Strutynska, Nataliya Yu.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.","KNi~0.93~Fe^II^~0.07~Fe^III^(PO~4~)~2~: a new type of structure for a compound of composition <i>M</i>^I^<i>M</i>^II^<i>M</i>^III^(PO~4~)~2~","Acta Crystallographica Section C","2014","70","2","160","164","10.1107/S2053229614000679","","","0.71073","MoKα","","0.0307","0.0228","","","","0.0518","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019401","30.712","0.006","16.82","0.003","10.588","0.002","90","","90","","90","","5469.5","1.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tetrakis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')di-μ~2~-carbonato-κ^4^<i>O</i>:<i>O</i>'-tetra-μ~3~-oxido-tetracobalt(III) pentadecahydrate","","- C42 H62 Co4 N8 O25 -","- C42 H58 Co4 N8 O25 -","- C168 H232 Co16 N32 O100 -","4","0.5","BG3165","Qi, Ji; Zhai, Xiang-Sheng; Zhu, Hong-Lin; Lin, Jian-Li","A two-dimensional hydrogen-bonded water layer in the structure of a cobalt(III) cubane complex","Acta Crystallographica Section C","2014","70","2","198","201","10.1107/S2053229614001107","","","0.71073","MoKα","","0.0677","0.0424","","","0.1061","0.1188","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019402","6.0687","0.0003","6.7263","0.0004","9.8005","0.0003","97.858","0.004","95.503","0.004","100.655","0.004","386.44","0.03","120","0.1","120","","","","","","","","","5","P -1","-P 1","2","","1,1'-(Ethane-1,2-diyl)dipyridinium bis(perchlorate)","","- C12 H14 Cl2 N2 O8 -","- C12 H14 Cl2 N2 O8 -","- C12 H14 Cl2 N2 O8 -","1","0.5","LG3130","Gholizadeh, Mostafa; Pourayoubi, Mehrdad; Farimaneh, Masoumeh; Tarahhomi, Atekeh; Dušek, Michal; Eigner, Václav","Hirshfeld surface analysis of the 1,1'-(ethane-1,2-diyl)dipyridinium dication in two new salts: perchlorate and peroxodisulfate","Acta Crystallographica Section C","2014","70","2","230","235","10.1107/S2053229614000576","","","0.7107","MoKα","","0.0336","0.0296","","","0.1006","0.1039","","","","","","1.79","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019403","8.2189","0.0005","9.6676","0.0006","9.8361","0.0004","90","","98.359","0.004","90","","773.24","0.07","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,1'-(Ethane-1,2-diyl)dipyridinium peroxodisulfate","1,1'-(Ethane-1,2-diyl)dipyridinium hexaoxo-μ-peroxo-disulfate(2-)","","- C12 H14 N2 O8 S2 -","- C12 H14 N2 O8 S2 -","- C24 H28 N4 O16 S4 -","2","0.5","LG3130","Gholizadeh, Mostafa; Pourayoubi, Mehrdad; Farimaneh, Masoumeh; Tarahhomi, Atekeh; Dušek, Michal; Eigner, Václav","Hirshfeld surface analysis of the 1,1'-(ethane-1,2-diyl)dipyridinium dication in two new salts: perchlorate and peroxodisulfate","Acta Crystallographica Section C","2014","70","2","230","235","10.1107/S2053229614000576","","","0.7107","MoKα","","0.0309","0.0283","","","0.0907","0.0923","","","","","","1.71","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019404","8.9697","0.0011","9.33","0.0009","19.9254","0.0012","90","","93.846","0.008","90","","1663.7","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>-(3,4,5-trimethoxybenzylidene)naphthalen-1-amine","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","SF3215","Garay, Alexander; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Comparison of <i>N</i>-(3,4,5-trimethoxybenzylidene)naphthalen-1-amine and its reduction product <i>N</i>-(3,4,5-trimethoxybenzyl)naphthalen-1-amine","Acta Crystallographica Section C","2014","70","2","210","215","10.1107/S2053229613034839","","","0.71073","MoKα","","0.1286","0.0601","","","0.1356","0.1703","","","","","","1.024","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019405","9.446","0.0017","11.0868","0.0018","15.8195","0.0016","90","","90","","90","","1656.7","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(3,4,5-trimethoxybenzyl)naphthalen-1-amine","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","SF3215","Garay, Alexander; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Comparison of <i>N</i>-(3,4,5-trimethoxybenzylidene)naphthalen-1-amine and its reduction product <i>N</i>-(3,4,5-trimethoxybenzyl)naphthalen-1-amine","Acta Crystallographica Section C","2014","70","2","210","215","10.1107/S2053229613034839","","","0.71073","MoKα","","0.0592","0.0416","","","0.0935","0.1047","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019406","10.604","0.001","10.604","0.001","39.96","0.009","90","","90","","90","","4493.3","1.2","293","2","293","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","Bis(dicyclohexylammonium) 2,4-dichlorophenolate 2,4,6-trichlorophenolate 2,4-dichlorophenol","","- C42 H57 Cl7 N2 O3 -","- C42 H57 Cl7 N2 O3 -","- C168 H228 Cl28 N8 O12 -","4","0.5","EM3064","Cai, Xiao-Qing; Jin, Zhi Min","A hydrogen-bonded three-component complex: bis(dicyclohexylammonium) 2,4-dichlorophenolate 2,4,6-trichlorophenolate 2,4-dichlorophenol","Acta Crystallographica Section C","2014","70","2","207","209","10.1107/S2053229613033810","","","0.71073","MoKα","","0.064","0.0579","","","0.1447","0.1461","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019407","10.014","0.002","9.758","0.002","13.667","0.003","90","","98.668","0.008","90","","1320.2","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[dichloridomanganese(II)]-μ-1,1-diphenyl-3,3'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diylbis(azaniumylylidene)]dibut-1-en-1-olate-κ^2^<i>O</i>:<i>O</i>']","","- C26 H30 Cl2 Mn N2 O2 -","- C26 H30 Cl2 Mn N2 O2 -","- C52 H60 Cl4 Mn2 N4 O4 -","2","1","EM3065","Zhang, Qi-Long; Pan, Lu-Tai","A one-dimensional coordination polymer formed from the reaction of 1,1-diphenyl-3,3'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diylbis(azanediyl)]dibut-2-en-1-one with MnCl~2~·4H~2~O","Acta Crystallographica Section C","2014","70","1","16","18","10.1107/S2053229613032531","","","0.71073","MoKα","","0.0485","0.0353","","","0.0653","0.0703","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019408","7.6621","0.0005","10.8241","0.0007","11.0422","0.0007","105.078","0.006","106.456","0.006","96.677","0.005","830","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,2-Bis(4-bromophenyl)-1<i>H</i>-benzimidazole","","- C19 H12 Br2 N2 -","- C19 H12 Br2 N2 -","- C38 H24 Br4 N4 -","2","1","FG3315","González-Padilla, Jazmin E.; Rosales-Hernández, Martha C.; Padilla-Martínez, Itzia I.; García-Báez, Efren V.; Rojas-Lima, Susana; Salazar-Pereda, Veronica","π-stacking and C—<i>X</i>···<i>D</i> (<i>X</i> = H, NO~2~; <i>D</i> = O, π) interactions in the crystal network of both C—H···N and π-stacked dimers of 1,2-bis(4-bromophenyl)-1<i>H</i>-benzimidazole and 2-(4-bromophenyl)-1-(4-nitrophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2014","70","1","55","59","10.1107/S2053229613033329","","","1.54184","CuKα","","0.0782","0.0463","","","0.1115","0.129","","","","","","1.01","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019409","7.8689","0.0004","10.0444","0.0004","11.8867","0.0005","68.534","0.004","76.677","0.004","86.869","0.004","850.35","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Bromophenyl)-1-(4-nitrophenyl)-1<i>H</i>-benzimidazole","","- C19 H12 Br N3 O2 -","- C19 H12 Br N3 O2 -","- C38 H24 Br2 N6 O4 -","2","1","FG3315","González-Padilla, Jazmin E.; Rosales-Hernández, Martha C.; Padilla-Martínez, Itzia I.; García-Báez, Efren V.; Rojas-Lima, Susana; Salazar-Pereda, Veronica","π-stacking and C—<i>X</i>···<i>D</i> (<i>X</i> = H, NO~2~; <i>D</i> = O, π) interactions in the crystal network of both C—H···N and π-stacked dimers of 1,2-bis(4-bromophenyl)-1<i>H</i>-benzimidazole and 2-(4-bromophenyl)-1-(4-nitrophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2014","70","1","55","59","10.1107/S2053229613033329","","","1.54184","CuKα","","0.0497","0.0436","","","0.1165","0.1244","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019410","10.094","0.004","10.183","0.004","10.972","0.004","106.389","0.005","103.167","0.005","98.409","0.005","1026.4","0.7","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","1,1'-Bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole","","- C26 H20 N6 -","- C26 H20 N6 -","- C52 H40 N12 -","2","1","GZ3240","Li, Ai-Guo; Liu, Qi-Kui; Li, Yan-An; Liu, Zhi-Xian; Dong, Yu-Bin","Three one-dimensional coordination polymers based on 1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2014","70","1","37","42","10.1107/S2053229613031598","","","0.71073","MoKα","","0.1175","0.0774","","","0.1788","0.1997","","","","","","1.014","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019411","29.641","0.015","4.953","0.002","16.932","0.008","90","","99.236","0.011","90","","2454","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole]","","- C26 H20 Cl2 Hg N6 -","- C26 H20 Cl2 Hg N6 -","- C104 H80 Cl8 Hg4 N24 -","4","0.5","GZ3240","Li, Ai-Guo; Liu, Qi-Kui; Li, Yan-An; Liu, Zhi-Xian; Dong, Yu-Bin","Three one-dimensional coordination polymers based on 1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2014","70","1","37","42","10.1107/S2053229613031598","","","0.71073","MoKα","","0.0505","0.0352","","","0.0717","0.0757","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019412","24.494","0.008","6.006","0.002","17.306","0.006","90","","95.796","0.004","90","","2532.9","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[dibromidomercury(II)]-μ-1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole]","","- C26 H20 Br2 Hg N6 -","- C26 H20 Br2 Hg N6 -","- C104 H80 Br8 Hg4 N24 -","4","0.5","GZ3240","Li, Ai-Guo; Liu, Qi-Kui; Li, Yan-An; Liu, Zhi-Xian; Dong, Yu-Bin","Three one-dimensional coordination polymers based on 1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2014","70","1","37","42","10.1107/S2053229613031598","","","0.71073","MoKα","","0.0402","0.0339","","","0.0825","0.0851","","","","","","1.007","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019413","25.339","0.009","6.056","0.002","17.683","0.006","90","","98.619","0.004","90","","2682.9","1.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diiodidomercury(II)]-μ-1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole]","","- C26 H20 Hg I2 N6 -","- C26 H20 Hg I2 N6 -","- C104 H80 Hg4 I8 N24 -","4","0.5","GZ3240","Li, Ai-Guo; Liu, Qi-Kui; Li, Yan-An; Liu, Zhi-Xian; Dong, Yu-Bin","Three one-dimensional coordination polymers based on 1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2014","70","1","37","42","10.1107/S2053229613031598","","","0.71073","MoKα","","0.0485","0.0347","","","0.0679","0.0711","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019414","12.4298","0.0006","10.6137","0.0005","19.562","0.001","90","","99.5443","0.0007","90","","2545","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(1,3-benzothiazole-2-thiolato)bis[μ~2~-2-(benzylsulfanyl)anilinido]dichloridotripalladium(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate","","- C46 H46 Cl2 N6 O2 Pd3 S6 -","- C46 H46 Cl2 N6 O2 Pd3 S6 -","- C92 H92 Cl4 N12 O4 Pd6 S12 -","2","0.5","BG3169","Cross, Edward D.; MacDonald, Kristen L.; McDonald, Robert; Bierenstiel, Matthias","A trinuclear palladium(II) complex containing <i>N</i>,<i>S</i>-coordinating 2-(benzylsulfanyl)anilinide and 1,3-benzothiazole-2-thiolate ligands with a central square-planar PdN~4~ motif","Acta Crystallographica Section C","2014","70","1","23","27","10.1107/S2053229613032828","","","0.71073","MoKα","","0.0633","0.041","","","0.0816","0.0892","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019415","9.8759","0.0004","7.823","0.0003","29.0542","0.0011","90","","97.873","0.004","90","","2223.54","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc-Ant-Gpn-OMe","Methyl 2-[1-({2-[(<i>tert</i>-butoxycarbonyl)amino]benzamido}methyl)cyclohexyl]acetate","","- C22 H32 N2 O5 -","- C22 H32 N2 O5 -","- C88 H128 N8 O20 -","4","1","","Wani, Naiem Ahmad; Gupta, Vivek Kumar; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor","Conformation of a terminally protected βγ hybrid dipeptide Boc-Ant-Gpn-OMe stabilized by C~6~/C~7~ hydrogen bonds","Acta Crystallographica Section C","2014","70","1","46","49","10.1107/S2053229613033044","","","0.71073","MoKα","","0.0867","0.0595","","","0.1221","0.1376","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019416","11.02","0.003","12.138","0.005","23.139","0.005","85.33","0.03","79.56","0.02","74.33","0.03","2929","1.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(5<i>RS</i>)-5-(4-Methoxyphenyl)-2-(methylsulfanyl)benzo[<i>g</i>]pyrimido[4,5-<i>b</i>]quinoline-4,6,11(3<i>H</i>,5<i>H</i>,12<i>H</i>)-trione","","- C23 H17 N3 O4 S -","- C23 H17 N3 O4 S -","- C138 H102 N18 O24 S6 -","6","3","YF3052","Castillo, Yelder A.; Zapata, Luis F.; Trilleras, Jorge; Cobo, Justo; Glidewell, Christopher","(5<i>RS</i>)-5-(4-Methoxyphenyl)-2-(methylsulfanyl)benzo[<i>g</i>]pyrimido[4,5-<i>b</i>]quinoline-4,6,11(3<i>H</i>,5<i>H</i>,12<i>H</i>)-trione, with <i>Z</i>' = 3, forms a three-dimensional hydrogen-bonded framework containing five types of hydrogen bond","Acta Crystallographica Section C","2014","70","1","50","54","10.1107/S2053229613032956","","","0.71073","MoKα","","0.1383","0.0683","","","0.1274","0.1534","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019417","31.79","0.03","7.925","0.006","16.005","0.013","90","","97.69","0.03","90","","3996","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[chlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~3~-1,1,3,3-tetracyano-2-ethoxypropenido-κ^3^<i>N</i>:<i>N</i>':<i>N</i>'']","","- C21 H13 Cl Cu N6 O -","- C21 H13 Cl Cu N6 O -","- C168 H104 Cl8 Cu8 N48 O8 -","8","1","SK3522","Setifi, Zouaoui; Setifi, Fatima; El Ammari, Lahcen; El-Ghozzi, Malika; Sopková-de Oliveira Santos, Jana; Merazig, Hocine; Glidewell, Christopher","Poly[[chlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~3~-1,1,3,3-tetracyano-2-ethoxypropenido-κ^3^<i>N</i>:<i>N</i>':<i>N</i>'']: coordination polymer sheets linked into bilayers by hydrogen bonds","Acta Crystallographica Section C","2014","70","1","19","22","10.1107/S2053229613032804","","","0.71073","MoKα","","0.0648","0.0369","","","0.0929","0.1068","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019418","16.5","0.006","11.356","0.004","24.656","0.009","90","","90","","90","","4620","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-Bis{2-methyl-5-[2-(pyridin-3-yl)ethenyl]phenyl}-1,3,4-oxadiazole","","- C30 H20 N4 O -","- C30 H20 N4 O -","- C240 H160 N32 O8 -","8","1","BG3166","Liu, Zhao-Cai; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin","`0'- and `8'-shaped complexes generated from a nano-sized oxadiazole-containing organic ligand with CdI~2~ and CuI","Acta Crystallographica Section C","2014","70","1","31","36","10.1107/S2053229613031719","","","0.71073","MoKα","","0.0635","0.0414","","","0.1032","0.1169","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019419","7.039","0.002","15.838","0.005","28.799","0.009","90","","90","","90","","3210.6","1.7","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","(2,5-Bis{2-methyl-5-[2-(pyridin-3-yl-κ<i>N</i>)ethenyl]phenyl}-1,3,4-oxadiazole)diiodidocadmium(II) dichloromethane monosolvate","","- C31 H22 Cd Cl2 I2 N4 O -","- C31 H22 Cd Cl2 I2 N4 O -","- C124 H88 Cd4 Cl8 I8 N16 O4 -","4","0.5","BG3166","Liu, Zhao-Cai; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin","`0'- and `8'-shaped complexes generated from a nano-sized oxadiazole-containing organic ligand with CdI~2~ and CuI","Acta Crystallographica Section C","2014","70","1","31","36","10.1107/S2053229613031719","","","0.71073","MoKα","","0.0665","0.0482","","","0.1373","0.1587","","","","","","1.151","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019420","9.432","0.0015","10.508","0.0018","14.238","0.002","88.717","0.002","85.154","0.002","67.344","0.002","1297.5","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-iodido-bis[(2,5-bis{2-methyl-5-[2-(pyridin-3-yl-κ<i>N</i>)ethenyl]phenyl}-1,3,4-oxadiazole)copper(I)]","","- C60 H40 Cu2 I2 N8 O2 -","- C60 H40 Cu2 I2 N8 O2 -","- C60 H40 Cu2 I2 N8 O2 -","1","0.5","BG3166","Liu, Zhao-Cai; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin","`0'- and `8'-shaped complexes generated from a nano-sized oxadiazole-containing organic ligand with CdI~2~ and CuI","Acta Crystallographica Section C","2014","70","1","31","36","10.1107/S2053229613031719","","","0.71073","MoKα","","0.0431","0.0365","","","0.0869","0.0908","","","","","","1.028","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019421","14.824","0.002","17.755","0.002","9.863","0.0014","90","","118.615","0.002","90","","2278.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[(μ~2~-benzene-1,4-diacetato-κ^2^<i>O</i>:<i>O</i>){μ~2~-1,4-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^}zinc(II)] monohydrate]","","- C22 H22 N6 O5 Zn -","- C22 H22 N6 O5 Zn -","- C88 H88 N24 O20 Zn4 -","4","0.5","QS3033","Shen, Hong","A fivefold interpenetrating diamondoid three-dimensional metal‒organic framework constructed from benzene-1,4-diacetic acid and flexible triazole derivatives: poly[[(μ~2~-benzene-1,4-diacetato-κ^2^<i>O</i>:<i>O</i>){μ~2~-1,4-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^}zinc(II)] monohydrate]","Acta Crystallographica Section C","2014","70","1","28","30","10.1107/S2053229613033305","","","0.71073","MoKα","","0.0504","0.0363","","","0.0773","0.0816","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019422","7.7015","0.0003","14.3265","0.0005","8.1324","0.0003","90","","117.741","0.0014","90","","794.16","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicaesium monohydrogen arsenate(V) dihydrate","","- As Cs2 H5 O6 -","- As Cs2 H5 O6 -","- As4 Cs8 H20 O24 -","4","1","FN3158","Stöger, Berthold; Weil, Matthias","The isotypic hydrogen phosphate and arsenate dihydrates <i>M</i>~2~H<i>X</i>O~4~·2H~2~O (<i>M</i> = Rb, Cs; <i>X</i> = P, As)","Acta Crystallographica Section C","2014","70","1","7","11","10.1107/S205322961303338X","","","0.71073","MoKα","","0.0199","0.0145","","","0.023","0.0245","","","","","","1.36","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019423","7.4764","0.0005","14.1898","0.001","7.9535","0.0006","90","","116.88","0.002","90","","752.61","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicaesium monohydrogen phosphate(V) dihydrate","","- Cs2 H5 O6 P -","- Cs2 H5 O6 P -","- Cs8 H20 O24 P4 -","4","1","FN3158","Stöger, Berthold; Weil, Matthias","The isotypic hydrogen phosphate and arsenate dihydrates <i>M</i>~2~H<i>X</i>O~4~·2H~2~O (<i>M</i> = Rb, Cs; <i>X</i> = P, As)","Acta Crystallographica Section C","2014","70","1","7","11","10.1107/S205322961303338X","","","0.71073","MoKα","","0.022","0.0197","","","0.0323","0.0332","","","","","","1.61","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019424","7.6087","0.0005","13.7823","0.0003","7.926","0.0003","90","","119.074","0.006","90","","726.43","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dirubidium monohydrogen arsenate(V) dihydrate","","- As H5 O6 Rb2 -","- As H5 O6 Rb2 -","- As4 H20 O24 Rb8 -","4","1","FN3158","Stöger, Berthold; Weil, Matthias","The isotypic hydrogen phosphate and arsenate dihydrates <i>M</i>~2~H<i>X</i>O~4~·2H~2~O (<i>M</i> = Rb, Cs; <i>X</i> = P, As)","Acta Crystallographica Section C","2014","70","1","7","11","10.1107/S205322961303338X","","","0.71073","MoKα","","0.0413","0.0199","","","0.0243","0.0273","","","","","","1.22","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019425","7.364","0.0007","13.6496","0.0013","7.7341","0.0008","90","","118.176","0.002","90","","685.28","0.12","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dirubidium monohydrogen phosphate(V) dihydrate","","- H5 O6 P Rb2 -","- H5 O6 P Rb2 -","- H20 O24 P4 Rb8 -","4","1","FN3158","Stöger, Berthold; Weil, Matthias","The isotypic hydrogen phosphate and arsenate dihydrates <i>M</i>~2~H<i>X</i>O~4~·2H~2~O (<i>M</i> = Rb, Cs; <i>X</i> = P, As)","Acta Crystallographica Section C","2014","70","1","7","11","10.1107/S205322961303338X","","","0.71073","MoKα","","0.0418","0.0303","","","0.0376","0.0386","","","","","","1.87","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019426","7.9521","0.0002","8.0939","0.0002","8.6271","0.0002","78.621","0.001","80.7","0.001","79.769","0.001","531.07","0.02","105","2","105","2","","","","","","","","4","P -1","-P 1","2","Trimesic acid‒pyrazine <i>N</i>,<i>N</i>'-dioxide (2/1)","Benzene-1,3,5-tricarboxylic acid‒pyrazine <i>N</i>,<i>N</i>'-dioxide (2/1)","","- C22 H16 N2 O14 -","- C22 H16 N2 O14 -","- C22 H16 N2 O14 -","1","0.5","","Yadav, Vitthal N.; Görbitz, Carl Henrik","A supramolecular ladder-like network from trimesic acid and pyrazine <i>N</i>,<i>N</i>'-dioxide","Acta Crystallographica Section C","2014","70","1","43","45","10.1107/S2053229613032737","","","0.71073","MoKα","","0.0399","0.0358","","","0.1042","0.1081","","","","","","1.03","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2019427","16.1492","0.0009","14.8618","0.0009","13.1617","0.0011","90","","125.86","0.002","90","","2560.1","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[2-(aminomethyl)pyridine]di-μ~6~-oxalato-chromium(III)potassium(I)]","","- C10 H8 Cr K N2 O8 -","- C10 H8 Cr K N2 O8 -","- C80 H64 Cr8 K8 N16 O64 -","8","1","","Kenfack Tsobnang, Patrice; Wenger, Emmanuel; Ponou, Siméon; Dahaoui, Slimane; Lambi Ngolui, John; Lecomte, Claude","A new heteroleptic oxalate-based compound: poly[[2-(aminomethyl)pyridine]di-μ~6~-oxalato-chromium(III)potassium(I)]","Acta Crystallographica Section C","2014","70","1","12","15","10.1107/S205322961303088X","","","0.71073","MoKα","","","0.034","","","","0.091","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019428","6.2801","0.0019","13.845","0.004","17.478","0.005","90","","90","","90","","1519.7","0.8","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pentacerium dilithium heptastannide","","- Ce5 Li1.97 Sn7.03 -","- Ce5 Li1.9731 Sn7.0269 -","- Ce20 Li7.8924 Sn28.1076 -","4","1","KU3114","Makongo, Julien P. A.; Bobev, Svilen","The series <i>RE</i>~5~Li~2~Sn~7~ (<i>RE</i> = Ce, Pr, Nd, Sm) revisited: crystal structure of <i>RE</i>~5~Li~2{-~<i>x</i>}Sn~7+<i>x~</i> [0 {łeq} <i>x</i> {łeq} 0.03(1)]","Acta Crystallographica Section C","2014","70","1","2","6","10.1107/S2053229613029604","","","0.71073","MoKα","","0.0295","0.0233","","","0.0415","0.0423","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019429","6.2415","0.0017","13.758","0.004","17.379","0.005","90","","90","","90","","1492.3","0.7","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pentapreseodymium dilithium heptastannide","","- Li1.98 Pr5 Sn7.02 -","- Li1.9796 Pr5 Sn7.0204 -","- Li7.9184 Pr20 Sn28.0816 -","4","1","KU3114","Makongo, Julien P. A.; Bobev, Svilen","The series <i>RE</i>~5~Li~2~Sn~7~ (<i>RE</i> = Ce, Pr, Nd, Sm) revisited: crystal structure of <i>RE</i>~5~Li~2{-~<i>x</i>}Sn~7+<i>x~</i> [0 {łeq} <i>x</i> {łeq} 0.03(1)]","Acta Crystallographica Section C","2014","70","1","2","6","10.1107/S2053229613029604","","","0.71073","MoKα","","0.02","0.0194","","","0.045","0.0453","","","","","","1.096","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019430","6.2109","0.0006","13.6894","0.0014","17.2868","0.0017","90","","90","","90","","1469.8","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pentaneodymium dilithium heptastannide","","- Li1.99 Nd5 Sn7.01 -","- Li1.994 Nd5 Sn7.006 -","- Li7.976 Nd20 Sn28.024 -","4","1","KU3114","Makongo, Julien P. A.; Bobev, Svilen","The series <i>RE</i>~5~Li~2~Sn~7~ (<i>RE</i> = Ce, Pr, Nd, Sm) revisited: crystal structure of <i>RE</i>~5~Li~2{-~<i>x</i>}Sn~7+<i>x~</i> [0 {łeq} <i>x</i> {łeq} 0.03(1)]","Acta Crystallographica Section C","2014","70","1","2","6","10.1107/S2053229613029604","","","0.71073","MoKα","","0.0273","0.0247","","","0.0578","0.0589","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019431","6.1666","0.0019","13.556","0.004","17.141","0.005","90","","90","","90","","1432.9","0.7","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pentasamarium dilithium heptastannide","","- Li2 Sm5 Sn7 -","- Li2 Sm5 Sn7 -","- Li8 Sm20 Sn28 -","4","1","KU3114","Makongo, Julien P. A.; Bobev, Svilen","The series <i>RE</i>~5~Li~2~Sn~7~ (<i>RE</i> = Ce, Pr, Nd, Sm) revisited: crystal structure of <i>RE</i>~5~Li~2{-~<i>x</i>}Sn~7+<i>x~</i> [0 {łeq} <i>x</i> {łeq} 0.03(1)]","Acta Crystallographica Section C","2014","70","1","2","6","10.1107/S2053229613029604","","","0.71073","MoKα","","0.0295","0.0233","","","0.0396","0.0406","","","","","","0.978","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019432","9.1018","0.0003","13.6319","0.0004","13.592","0.0004","90","","93.545","0.002","90","","1683.2","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methoxy-4-(4-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","OV3043","Vishnupriya, R.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith","C—H···O and C—H···N interactions in three hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitriles","Acta Crystallographica Section C","2014","70","2","236","240","10.1107/S2053229614000291","","","0.71073","MoKα","","0.0475","0.0358","","","0.0971","0.1062","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019433","13.2948","0.0006","11.0251","0.0004","14.0788","0.0005","90","","117.566","0.002","90","","1829.36","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Ethoxy-4-(3-nitrophenyl)-5,6,7,8,9,10-hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","OV3043","Vishnupriya, R.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith","C—H···O and C—H···N interactions in three hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitriles","Acta Crystallographica Section C","2014","70","2","236","240","10.1107/S2053229614000291","","","0.71073","MoKα","","0.0593","0.0434","","","0.1192","0.1301","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019434","6.9763","0.0004","17.8163","0.0008","14.9545","0.0008","90","","96.751","0.002","90","","1845.83","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Ethoxy-4-(4-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","OV3043","Vishnupriya, R.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith","C—H···O and C—H···N interactions in three hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitriles","Acta Crystallographica Section C","2014","70","2","236","240","10.1107/S2053229614000291","","","0.71073","MoKα","","0.0704","0.0436","","","0.1105","0.1242","","","","","","1.034","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019435","8.794","0.009","11.696","0.007","12.854","0.008","90","","90","","90","","1322.1","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Nitro-1,3,5,2,4-trithiadiazepine","","- C2 H N3 O2 S3 -","- C2 H N3 O2 S3 -","- C16 H8 N24 O16 S24 -","8","1","QS3029","Jones, Ray","Three trithiadiazepines and a trithiatriazepine","Acta Crystallographica Section C","2014","70","1","60","66","10.1107/S2053229613033287","","","1.54178","CuKα","","0.0796","0.0596","","","0.1457","0.1578","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019436","11.182","0.002","8.436","0.002","8.609","0.002","90","","91.36","0.02","90","","811.9","0.3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","6,7-Dinitro-1,3,5,2,4-trithiadiazepine","","- C2 N4 O4 S3 -","- C2 N4 O4 S3 -","- C8 N16 O16 S12 -","4","0.5","QS3029","Jones, Ray","Three trithiadiazepines and a trithiatriazepine","Acta Crystallographica Section C","2014","70","1","60","66","10.1107/S2053229613033287","","","1.54178","CuKα","","0.0265","0.025","","","0.0651","0.0658","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019437","3.897","0.001","16.881","0.009","10.91","0.004","90","","90","","90","","717.7","0.5","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","6,7-dicyano-1,3,5,2,4-trithiadiazepine","1,3,5,2,4-Trithiadiazepine-6,7-dicarbonitrile","","- C4 N4 S3 -","- C4 N4 S3 -","- C16 N16 S12 -","4","0.5","QS3029","Jones, Ray","Three trithiadiazepines and a trithiatriazepine","Acta Crystallographica Section C","2014","70","1","60","66","10.1107/S2053229613033287","","","1.54178","CuKα","","0.0678","0.0424","","","0.088","0.0937","","","","","","0.958","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019438","8.647","0.003","5.862","0.001","14.674","0.004","90","","102.21","0.03","90","","727","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Acetyl-1,3,5,2,4,6-trithiatriazene","","- C3 H3 N3 O S3 -","- C3 H3 N3 O S3 -","- C12 H12 N12 O4 S12 -","4","1","QS3029","Jones, Ray","Three trithiadiazepines and a trithiatriazepine","Acta Crystallographica Section C","2014","70","1","60","66","10.1107/S2053229613033287","","","1.54178","CuKα","","0.0389","0.0387","","","0.1069","0.1072","","","","","","1.159","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019439","7.2128","0.0007","17.7448","0.0017","19.3945","0.0018","90","","93.999","0.002","90","","2476.3","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(adeninium) zoldronate tetrahydrate","Bis(6-amino-7<i>H</i>-purin-1-ium) hydrogen [1-hydroxy-2-(1<i>H</i>-imidazol-3-ium-1-yl)-1-phosphonatoethyl]phosphonate tetrahydrate","","- C15 H28 N12 O11 P2 -","- C15 H28 N12 O11 P2 -","- C60 H112 N48 O44 P8 -","4","1","SF3214","Sridhar, Balasubramanian; Ravikumar, Krishnan; Varghese, Babu","Tetra- and hexahydrates of bis(adeninium) zoledronate","Acta Crystallographica Section C","2014","70","1","67","74","10.1107/S2053229613033172","","","0.71073","MoKα","","0.0653","0.0598","","","0.1359","0.1393","","","","","","1.153","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019440","7.2742","0.0006","10.7987","0.0009","17.6202","0.0015","102.38","0.001","94.254","0.001","93.223","0.001","1344.49","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Bis(adeninium) zoldronate hexahydrate","Bis(6-amino-7<i>H</i>-purin-1-ium) hydrogen [1-hydroxy-2-(1<i>H</i>-imidazol-3-ium-1-yl)-1-phosphonatoethyl]phosphonate hexahydrate","","- C15 H28 N12 O11 P2 -","- C15 H32 N12 O13 P2 -","- C30 H64 N24 O26 P4 -","2","1","SF3214","Sridhar, Balasubramanian; Ravikumar, Krishnan; Varghese, Babu","Tetra- and hexahydrates of bis(adeninium) zoledronate","Acta Crystallographica Section C","2014","70","1","67","74","10.1107/S2053229613033172","","","0.71073","MoKα","","0.0663","0.0558","","","0.132","0.1402","","","","","","1.129","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019441","9.605","0.007","10.749","0.007","13.01","0.009","91.524","0.011","107.539","0.01","93.855","0.01","1276.3","1.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Di-μ~2~-azido-diazidodiethanolbis{μ~2~-2-[(hydroxyimino)methyl]-6-methoxyphenolato}bis{μ~3~-2-[(oxidoimino)methyl]-6-methoxyphenolato}dicobalt(II)dicobalt(III) ethanol disolvate","","- C40 H54 Co4 N16 O16 -","- C40 H54 Co4 N16 O16 -","- C40 H54 Co4 N16 O16 -","1","0.5","SF3224","Yao, Tiantian; Lu, Jing; Li, Dacheng; Dou, Jianmin","A mixed-valence complex of cobalt based on 3-methoxysalicylaldoxime","Acta Crystallographica Section C","2014","70","4","364","367","10.1107/S2053229614005245","","","0.71073","MoKα","","0.1503","0.0628","","","0.1198","0.1578","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019442","10.4495","0.0003","10.7805","0.0004","15.736","0.0005","71.949","0.001","73.034","0.001","82.44","0.001","1610.42","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","iron(III)chlorooctaethylporphyrin","Chlorido(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III)","","- C36 H44 Cl Fe N4 -","- C36 H44 Cl Fe N4 -","- C72 H88 Cl2 Fe2 N8 -","2","1","SF3221","Kohnhorst, Saifon A.; Haller, Kenneth J.","Chlorido(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III): a new triclinic polymorph of Fe(OEP)Cl","Acta Crystallographica Section C","2014","70","4","368","374","10.1107/S2053229614005002","","","0.71073","MoKα","","0.0673","0.0508","","","0.1347","0.1477","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019443","5.3822","0.0001","5.3822","0.0001","34.6521","0.0008","90","","90","","120","","869.32","0.03","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Hexapotassium octairon(II,III) dodecaphosphonate","","- Fe8.27 H12 K6 O36 P12 -","- Fe8.271 H12 K6 O36 P12 -","- Fe8.271 H12 K6 O36 P12 -","1","0.0277778","FN3162","Hamchaoui, Farida; Alonzo, Véronique; Rebbah, Houria; Le Fur, Eric","K~6~[Fe~8.27~(HPO~3~)~12~]: a new mixed-valence iron phosphite","Acta Crystallographica Section C","2014","70","4","351","354","10.1107/S2053229614004021","","","0.71073","MoKα","","","0.0266","","","","0.0699","","","","","","1.014","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019444","6.9562","0.0015","8.3067","0.0017","28.343","0.006","90","","96.458","0.003","90","","1627.4","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dihydroberberine","9,10-Dimethoxy-6,8-dihydro-5<i>H</i>-1,3-dioxolo[4,5-<i>g</i>]isoquinolino[3,2-<i>a</i>]isoquinoline","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","FN3163","Pingali, Subramanya; Donahue, James P.; Payton-Stewart, Florastina","Weak C—H···<i>X</i> (<i>X</i> = O, N) hydrogen bonds in the crystal structure of dihydroberberine","Acta Crystallographica Section C","2014","70","4","388","391","10.1107/S2053229614003751","","","0.71073","MoKα","","0.0423","0.0405","","","0.1017","0.1036","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019445","9.5055","0.0004","9.9638","0.0004","11.0646","0.0005","88.679","0.002","76.223","0.002","73.819","0.002","976.42","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","1,3-Diamino-5-azaniumyl-1,3,5-trideoxy-<i>cis</i>-inositol iodide‒1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol‒water (1/1/1)","","- C12 H33 I N6 O7 -","- C12 H33 I N6 O7 -","- C24 H66 I2 N12 O14 -","2","1","KU3125","Neis, Christian; Hegetschweiler, Kaspar","Hydrogen bonding in polyamino-polyalcohols: a monohydrated cocrystal of 1,3-diamino-5-azaniumyl-1,3,5-trideoxy-<i>cis</i>-inositol iodide and 1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol","Acta Crystallographica Section C","2014","70","4","396","399","10.1107/S2053229614005038","","","0.71073","MoKα","","0.0205","0.0195","","","0.0545","0.0551","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019446","10.343","0.0005","14.1199","0.0008","25.301","0.0013","101.243","0.003","90.478","0.002","90.83","0.002","3623.5","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","Di-μ-perfluoroheptanoato-κ^4^<i>O</i>:<i>O</i>'-bis[dicarbonyl(dimethyl sulfoxide-κ<i>S</i>)ruthenium(I)](<i>Ru</i>‒<i>Ru</i>)","","- C22 H12 F26 O10 Ru2 S2 -","- C22 H12 F26 O10 Ru2 S2 -","- C88 H48 F104 O40 Ru8 S8 -","4","2","EG3153","Zimmermann, Teresa K.; Haslinger, Stefan; Pöthig, Alexander; Kühn, Fritz E.","Structure and catalytic activity of the ruthenium(I) sawhorse-type complex [Ru~2~{μ,η^2^-CF~3~(CF~2~)~5~COO}~2~(DMSO)~2~(CO)~4~]","Acta Crystallographica Section C","2014","70","4","384","387","10.1107/S2053229614006354","","","0.71073","MoKα","","0.0368","0.0256","","","0.0492","0.0533","","","","","","1.036","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019447","11.928","0.002","18.192","0.003","19.026","0.003","90","","91.988","0.003","90","","4126","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis{μ-<i>N</i>-[(diphenylphosphanyl)methyl]pyridin-4-amine-κ^2^<i>N</i>^1^:<i>P</i>}disilver bis(perchlorate) acetonitrile monosolvate","","- C38 H37 Ag2 Cl2 N5 O8 P2 -","- C38 H37 Ag2 Cl2 N5 O8 P2 -","- C152 H148 Ag8 Cl8 N20 O32 P8 -","4","0.5","FG3317","Liang, Guang-Ming; Shang, Jing; Yang, Kun-Guo; Ma, Kai; Ni, Qing-Ling","Counter-anion role in the formation of two supramolecular complexes: [Ag~2~(DPP)~2~](ClO~4~)~2~·CH~3~CN and [Ag~2~(DPP)~2~(NO~3~)~2~] {DPP is <i>N</i>-[(diphenylphosphanyl)methyl]pyridin-4-amine}","Acta Crystallographica Section C","2014","70","4","379","383","10.1107/S2053229614005725","","","0.71073","MoKα","","0.0709","0.0447","","","0.1226","0.1389","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019448","13.448","0.005","17.498","0.006","16.006","0.005","90","","97.475","0.004","90","","3734","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis{μ-<i>N</i>-[(diphenylphosphanyl)methyl]pyridin-4-amine-κ^2^<i>N</i>^1^:<i>P</i>}bis[(nitrato-κ^2^<i>O</i>,<i>O</i>)silver]","","- C36 H34 Ag2 N6 O6 P2 -","- C36 H34 Ag2 N6 O6 P2 -","- C144 H136 Ag8 N24 O24 P8 -","4","1","FG3317","Liang, Guang-Ming; Shang, Jing; Yang, Kun-Guo; Ma, Kai; Ni, Qing-Ling","Counter-anion role in the formation of two supramolecular complexes: [Ag~2~(DPP)~2~](ClO~4~)~2~·CH~3~CN and [Ag~2~(DPP)~2~(NO~3~)~2~] {DPP is <i>N</i>-[(diphenylphosphanyl)methyl]pyridin-4-amine}","Acta Crystallographica Section C","2014","70","4","379","383","10.1107/S2053229614005725","","","0.71073","MoKα","","0.0439","0.0298","","","0.0729","0.0805","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019449","6.8549","0.0006","11.4483","0.0012","13.1369","0.0014","90","","90","","90","","1030.94","0.18","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>*,4<i>S</i>*)-Methyl 2,3,4,5-tetrahydro-1,4-epoxy-1<i>H</i>-benz[<i>b</i>]azepine-2-carboxylate","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","SK3540","Guerrero, Sergio A.; Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four related benzazepine derivatives in a reaction pathway leading to a benzazepine carboxylic acid: hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2014","70","4","408","415","10.1107/S2053229614006007","","","0.71073","MoKα","","0.0682","0.0429","","","0.0744","0.0832","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019450","6.2528","0.0013","10.758","0.003","15.927","0.005","90","","90","","90","","1071.4","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>*,4<i>S</i>*)-Methyl 4-hydroxy-2,3,4,5-tetrahydro-1<i>H</i>-benz[<i>b</i>]azepine-2-carboxylate","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","SK3540","Guerrero, Sergio A.; Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four related benzazepine derivatives in a reaction pathway leading to a benzazepine carboxylic acid: hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2014","70","4","408","415","10.1107/S2053229614006007","","","0.71073","MoKα","","0.0954","0.0693","","","0.1719","0.1865","","","","","","1.192","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019451","9.4389","0.0005","11.9081","0.0005","9.2702","0.0004","90","","108.275","0.003","90","","989.41","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,4<i>SR</i>)-4-Hydroxy-2,3,4,5-tetrahydro-1<i>H</i>-benz[<i>b</i>]azepine-2-carboxylic acid","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","SK3540","Guerrero, Sergio A.; Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four related benzazepine derivatives in a reaction pathway leading to a benzazepine carboxylic acid: hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2014","70","4","408","415","10.1107/S2053229614006007","","","0.71073","MoKα","","0.1015","0.0475","","","0.097","0.1192","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019452","15.0601","0.0008","9.2204","0.0005","8.072","0.004","90","","91.668","0.01","90","","1120.4","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,5<i>SR</i>)-8-(trifluoromethoxy)-5,6-dihydro-1<i>H</i>-2,5-methanobenz[<i>e</i>][1,4]oxazocin-3(2<i>H</i>)-one","","- C12 H10 F3 N O3 -","- C12 H10 F3 N O3 -","- C48 H40 F12 N4 O12 -","4","1","SK3540","Guerrero, Sergio A.; Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four related benzazepine derivatives in a reaction pathway leading to a benzazepine carboxylic acid: hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2014","70","4","408","415","10.1107/S2053229614006007","","","0.71073","MoKα","","0.0729","0.0429","","","0.0919","0.1053","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019453","6.4872","0.0002","8.1478","0.0004","13.5603","0.00011","95.1691","0.0011","101.111","0.0011","98.6376","0.0017","690.08","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Cinnamic acid‒isoniazid (1/1)","Cinnamic acid‒pyridine-4-carbohydrazide (1/1)","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C30 H30 N6 O6 -","2","1","CU3047","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Belyakov, Sergey","Cinnamic acid hydrogen bonds to isoniazid and <i>N</i>'-(propan-2-ylidene)isonicotinohydrazide, an <i>in situ</i> reaction product of isoniazid and acetone","Acta Crystallographica Section C","2014","70","4","392","395","10.1107/S2053229614003684","","","0.71073","MoKα","","0.0636","0.0452","","","0.1117","0.1225","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019454","8.8818","0.0001","21.0445","0.0004","9.0764","0.0001","90","","90","","90","","1696.5","0.04","173","2","173","2","","","","","","","","4","P b 21 a","P -2a -2ab","29","Cinnamic acid‒<i>N</i>'-(propan-2-ylidene)isonicotinohydrazide (1/1)","Cinnamic acid‒<i>N</i>'-(propan-2-ylidene)pyridine-4-carbohydrazide (1/1)","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","CU3047","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Belyakov, Sergey","Cinnamic acid hydrogen bonds to isoniazid and <i>N</i>'-(propan-2-ylidene)isonicotinohydrazide, an <i>in situ</i> reaction product of isoniazid and acetone","Acta Crystallographica Section C","2014","70","4","392","395","10.1107/S2053229614003684","","","0.71073","MoKα","","0.0457","0.0368","","","0.0829","0.0877","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019455","7.3682","0.0005","7.3682","0.0005","3.3738","0.0003","90","","90","","120","","158.63","0.02","296","2","296","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","Magnesium gold gallium","","- Au Ga Mg -","- Au Ga Mg -","- Au3 Ga3 Mg3 -","3","0.25","KU3126","Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.","MgAuGa and MgAu~2~Ga: first representatives of the Mg‒Au‒Ga system","Acta Crystallographica Section C","2014","70","4","355","358","10.1107/S205322961400566X","","","0.71073","MoKα","","0.0441","0.0317","","","0.0651","0.0692","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019456","4.4015","0.0003","4.4015","0.0003","8.5398","0.0007","90","","90","","120","","143.278","0.018","297","2","297","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Magnesium digold gallium","","- Au2 Ga Mg -","- Au2 Ga Mg -","- Au4 Ga2 Mg2 -","2","0.0833333","KU3126","Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.","MgAuGa and MgAu~2~Ga: first representatives of the Mg‒Au‒Ga system","Acta Crystallographica Section C","2014","70","4","355","358","10.1107/S205322961400566X","","","0.71073","MoKα","","0.0306","0.0229","","","0.0511","0.0535","","","","","","1.188","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019457","13.248","0.002","4.9913","0.001","16.312","0.006","90","","100.18","0.02","90","","1061.6","0.5","143","2","143","2","","","","","","","","4","C 1 2 1","C 2y","5","","1'-Deoxy-1'-(2,4,5-trifluorophenyl)-β-<i>D</i>-ribofuranose","","- C11 H11 F3 O4 -","- C11 H11 F3 O4 -","- C44 H44 F12 O16 -","4","1","EG3152","Bats, Jan W.; Živković, Aleksandra; Parsch, Jörg; Engels, Joachim W.","Three different fluoro- or chloro-substituted 1'-deoxy-1'-phenyl-β-<small>D</small>-ribofuranoses","Acta Crystallographica Section C","2014","70","4","400","404","10.1107/S2053229614004999","","","0.71073","MoKα","","0.0348","0.0303","","","0.078","0.0804","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019458","11.209","0.003","20.221","0.005","4.9699","0.0012","90","","90","","90","","1126.5","0.5","142","2","142","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","1'-Deoxy-1'-(2,4,6-trifluorophenyl)-β-<i>D</i>-ribofuranose","","- C11 H11 F3 O4 -","- C11 H11 F3 O4 -","- C44 H44 F12 O16 -","4","1","EG3152","Bats, Jan W.; Živković, Aleksandra; Parsch, Jörg; Engels, Joachim W.","Three different fluoro- or chloro-substituted 1'-deoxy-1'-phenyl-β-<small>D</small>-ribofuranoses","Acta Crystallographica Section C","2014","70","4","400","404","10.1107/S2053229614004999","","","0.71073","MoKα","","0.0341","0.0313","","","0.0797","0.0815","","","","","","1.139","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019459","6.7097","0.0009","6.8447","0.0009","23.948","0.004","90","","90","","90","","1099.8","0.3","145","2","145","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1'-(4-Chlorophenyl)-1'-deoxy-β-<i>D</i>-ribofuranose","","- C11 H13 Cl O4 -","- C11 H13 Cl O4 -","- C44 H52 Cl4 O16 -","4","1","EG3152","Bats, Jan W.; Živković, Aleksandra; Parsch, Jörg; Engels, Joachim W.","Three different fluoro- or chloro-substituted 1'-deoxy-1'-phenyl-β-<small>D</small>-ribofuranoses","Acta Crystallographica Section C","2014","70","4","400","404","10.1107/S2053229614004999","","","0.71073","MoKα","","0.0552","0.0399","","","0.085","0.0914","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019460","5.6649","0.0011","14.196","0.003","19.148","0.004","90","","90","","90","","1539.9","0.5","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","poly[(μ~5~-4-{[(1-carboxylato-2-phenylethyl)amino]methyl}benzoato)zinc(II)]","","- C17 H15 N O4 Zn -","- C17 H15 N O4 Zn -","- C68 H60 N4 O16 Zn4 -","4","1","QS3037","Ying, Shao-Ming; Huang, Xiao-Hui; Luo, Wu-Kui; Xiao, Yan-Chun","Synthesis, crystal structures and characterizations of two homochiral coordination polymers based on a chiral reduced Schiff base ligand","Acta Crystallographica Section C","2014","70","4","375","378","10.1107/S2053229614005762","","","0.71073","MoKα","","0.0755","0.0516","","","0.0714","0.078","","","","","","0.835","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019461","5.6619","0.0015","14.198","0.004","19.18","0.005","90","","90","","90","","1541.8","0.7","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[(μ~5~-4-{[(1-carboxylato-2-phenylethyl)amino]methyl}benzoato)cobalt(II)]","","- C17 H15 Co N O4 -","- C17 H15 Co N O4 -","- C68 H60 Co4 N4 O16 -","4","1","QS3037","Ying, Shao-Ming; Huang, Xiao-Hui; Luo, Wu-Kui; Xiao, Yan-Chun","Synthesis, crystal structures and characterizations of two homochiral coordination polymers based on a chiral reduced Schiff base ligand","Acta Crystallographica Section C","2014","70","4","375","378","10.1107/S2053229614005762","","","0.71073","MoKα","","0.095","0.0773","","","0.1611","0.1742","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019462","9.373","0.0019","17.032","0.003","19.032","0.004","90","","90","","90","","3038.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-benzyloxycarbonyl-α-aminoisobutyryl-α-aminoisobutyryl-α-aminoisobutyryl-<i>L</i>-alanine <i>tert</i>-butyl ester","","- C27 H42 N4 O7 -","- C27 H42 N4 O7 -","- C108 H168 N16 O28 -","4","1","EG3150","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","The peptide <i>Z</i>-Aib-Aib-Aib-<small>L</small>-Ala-OtBu","Acta Crystallographica Section C","2014","70","4","405","407","10.1107/S2053229614005567","","","1.54184","CuKα","","0.049","0.0437","","","0.1355","0.1421","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019463","7.5946","0.0005","8.4284","0.0005","14.1106","0.0008","96.668","0.004","101.019","0.005","102.962","0.004","851.96","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[[[4-amino-3,5-bis(pyridin-2-yl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^](dicyanamido-κ<i>N</i>)copper(II)]-μ~2~-dicyanamido-κ^2^<i>N</i>:<i>N</i>']","","- C16 H10 Cu N12 -","- C16 H10 Cu N12 -","- C32 H20 Cu2 N24 -","2","1","SK3539","Setifi, Zouaoui; Setifi, Fatima; Saadi, Mohamed; Rouag, Djamil-Azzeddine; Glidewell, Christopher","<i>catena</i>-Poly[[[4-amino-3,5-bis(pyridin-2-yl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^](dicyanamido-κ<i>N</i>)copper(II)]-μ~2~-dicyanamido-κ^2^<i>N</i>:<i>N</i>']: coordination polymer chains linked into a bilayer by hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2014","70","4","359","363","10.1107/S205322961400504X","","","0.71073","MoKα","","0.069","0.0492","","","0.0932","0.1008","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019464","8.854","0.001","8.854","0.001","8.854","0.001","90","","90","","90","","694.09","0.14","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Pentanickel nonatin tetrazinc copper","","- Cu1.04 Ni5.2 Sn8.7 Zn4.16 -","- M10.115 Sn7.454 -","- M20.23 Sn14.908 -","2","0.0416667","","Schmetterer, Clemens; Flandorfer, Hans; Effenberger, Herta Silvia","New refinement of Ni~5.20~Sn~8.7~Zn~4.16~Cu~1.04~ and its non-isotypy with Ni~2~Sn~2~Zn","Acta Crystallographica Section C","2014","70","4","348","350","10.1107/S2053229614003660","","","0.71073","","","0.0601","0.0601","","","0.1974","0.1974","","","","","","1.092","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019466","7.1384","0.0019","18.424","0.005","17.907","0.005","90","","90.984","0.003","90","","2354.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[diaqua[5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^]lead(II)]-μ-5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylato-κ^3^<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^2^] dihydrate]","","- C20 H20 N6 O12 Pb -","- C20 H20 N6 O12 Pb -","- C80 H80 N24 O48 Pb4 -","4","1","WQ3057","Guo, Lei; Li, Jia-Qun; Xie, Yu-Ting; Lu, Chu-Qin; Wu, Jian-Zhong","A one-dimensional lead(II) coordination polymer with terminal and bridging 5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylate ligands","Acta Crystallographica Section C","2014","70","5","428","431","10.1107/S2053229614006883","","","0.71073","MoKα","","0.0524","0.0337","","","0.067","0.0736","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019467","13.1149","0.0003","13.9114","0.0003","23.5614","0.0007","90","","96.207","0.002","90","","4273.5","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium bromido(phthalocyaninato)manganese(II)","","- C48 H52 Br Mn N9 -","- C48 H52 Br Mn N9 -","- C192 H208 Br4 Mn4 N36 -","4","1","KY3049","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.","The molecular structure of high-spin (<i>S</i> = <b>5</b> øver <b>2</b>) manganese(II) phthalocyanine in tetrabutylammonium bromido(phthalocyaninato)manganese(II)","Acta Crystallographica Section C","2014","70","5","449","451","10.1107/S2053229614007475","","","0.71073","MoKα","","0.079","0.0487","","","0.0975","0.1095","","","","","","1.036","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019468","11.0975","0.0006","8.4039","0.0003","11.3732","0.0006","90","","115.564","0.007","90","","956.85","0.1","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[aqua(μ-benzene-1,2-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^)(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')cobalt(II)] trihydrate]","","- C18 H20 Co N2 O8 -","- C18 H19 Co N2 O7.5 -","- C36 H38 Co2 N4 O15 -","2","1","YF3058","Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Cukiernik, Fabio D.; Baggio, Ricardo","The structure of {[Co(pht)(bpy)(H~2~O)]·3H~2~O}~<i>n~</i> (pht is phthalate and bpy is 4,4'-bipyridine) and the role of solvent water clusters in structure stability","Acta Crystallographica Section C","2014","70","5","440","444","10.1107/S2053229614006950","","","0.71073","MoKα","","0.0377","0.0325","","","0.0794","0.0836","","","","","","0.954","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019469","7.0219","0.0014","14.955","0.003","8.9722","0.0018","90","","91.19","0.03","90","","942","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(1<i>H</i>-pyrazol-2-ium) pentacyanido(1<i>H</i>-pyrazole-κ<i>N</i>^2^)ferrate(III)","","- C14 H14 Fe N11 -","- C14 H14 Fe N11 -","- C28 H28 Fe2 N22 -","2","1","SF3226","Wang, Yu-Feng; Yu, Chun-Hua; Zhu, Run-Qiang","An iron(III) complex salt containing pyrazole as both ligand and counter-ion: bis(1<i>H</i>-pyrazol-2-ium) pentacyanido(1<i>H</i>-pyrazole-κ<i>N</i>^2^)ferrate(III)","Acta Crystallographica Section C","2014","70","5","437","439","10.1107/S2053229614007128","","","0.71073","MoKα","","0.0359","0.0332","","","0.0696","0.071","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019470","13.342","0.007","5.853","0.003","15.404","0.008","90","","90","","90","","1202.9","1.1","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[bis[(<i>S</i>)-2-methylpiperazine-1,4-diium] [bis[trichloridocadmium(II)]-di-μ~3~-chlorido]]","","- C5 H14 Cd Cl4 N2 -","- C5 H14 Cd Cl4 N2 -","- C20 H56 Cd4 Cl16 N8 -","4","1","WQ3059","Wu, De-Hong","A one-dimensional ladder-like six-coordinate cadmium polymer: <i>catena</i>-poly[bis[(<i>S</i>)-2-methylpiperazine-1,4-diium] [bis[trichloridocadmium(II)]-di-μ~3~-chlorido]]","Acta Crystallographica Section C","2014","70","5","445","448","10.1107/S205322961400655X","","","0.71073","MoKα","","0.0261","0.0227","","","0.0472","0.0478","","","","","","1.014","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019471","10.818","0.0004","21.0893","0.0008","12.2199","0.0005","90","","107.844","0.002","90","","2653.78","0.18","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Phenyl-1,10-phenanthroline","","- C18 H12 N2 -","- C18 H12 N2 -","- C144 H96 N16 -","8","2","GZ3246","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N.","In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)","Acta Crystallographica Section C","2014","70","3","260","266","10.1107/S2053229614001843","","","1.54178","CuKα","","0.0783","0.0451","","","0.1102","0.1286","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019472","7.5798","0.0008","10.693","0.0012","10.9157","0.0012","103.713","0.003","90.801","0.003","104.707","0.003","828.75","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-Phenyl-1,10-phenanthrolin-1-ium hexafluoridophosphate","","- C18 H13 F6 N2 P -","- C18 H13 F6 N2 P -","- C36 H26 F12 N4 P2 -","2","1","GZ3246","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N.","In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)","Acta Crystallographica Section C","2014","70","3","260","266","10.1107/S2053229614001843","","","0.775","synchrotron","","0.0664","0.0586","","","0.1657","0.1736","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019473","7.6682","0.0002","10.7446","0.0004","11.1174","0.0004","104.848","0.002","95.687","0.002","100.439","0.002","860.48","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2-Phenyl-1,10-phenanthrolin-1-ium trifluoromethanesulfonate","","- C19 H13 F3 N2 O3 S -","- C19 H13 F3 N2 O3 S -","- C38 H26 F6 N4 O6 S2 -","2","1","GZ3246","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N.","In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)","Acta Crystallographica Section C","2014","70","3","260","266","10.1107/S2053229614001843","","","1.54178","CuKα","","0.0391","0.0352","","","0.0984","0.1022","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019474","14.7934","0.0003","10.7307","0.0003","23.3067","0.0005","90","","92.593","0.002","90","","3696","0.15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Phenyl-1,10-phenanthrolin-1-ium tetrachloridoaurate(III)","","- C18 H13 Au Cl4 N2 -","- C18 H13 Au Cl4 N2 -","- C144 H104 Au8 Cl32 N16 -","8","1","GZ3246","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N.","In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)","Acta Crystallographica Section C","2014","70","3","260","266","10.1107/S2053229614001843","","","1.54178","CuKα","","0.0286","0.025","","","0.0635","0.0655","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019475","7.2285","0.0011","19.897","0.003","11.2322","0.0016","90","","97.283","0.002","90","","1602.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Phenyl-1,10-phenanthrolin-1-ium bromide dihydrate","","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","- C72 H68 Br4 N8 O8 -","4","1","GZ3246","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N.","In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)","Acta Crystallographica Section C","2014","70","3","260","266","10.1107/S2053229614001843","","","0.7749","synchrotron","","0.0684","0.0616","","","0.1289","0.1319","","","","","","1.168","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019476","7.1497","0.0001","18.4625","0.0003","13.0648","0.0002","90","","102.727","0.001","90","","1682.2","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Trichlorido(2-phenyl-1,10-phenanthroline-κ<i>N</i>^10^)gold(III)","","- C18 H12 Au Cl3 N2 -","- C18 H12 Au Cl3 N2 -","- C72 H48 Au4 Cl12 N8 -","4","1","GZ3246","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N.","In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)","Acta Crystallographica Section C","2014","70","3","260","266","10.1107/S2053229614001843","","","1.54178","CuKα","","0.0261","0.0227","","","0.0593","0.0611","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019477","7.9946","0.0002","19.2773","0.0005","10.3823","0.0002","90","","103.408","0.001","90","","1556.45","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido(2-phenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","","- C18 H12 Cl2 Cu N2 -","- C18 H12 Cl2 Cu N2 -","- C72 H48 Cl8 Cu4 N8 -","4","1","GZ3246","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N.","In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)","Acta Crystallographica Section C","2014","70","3","260","266","10.1107/S2053229614001843","","","1.54178","CuKα","","0.0333","0.0287","","","0.0746","0.0777","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019478","7.8956","0.0007","9.6681","0.0008","19.0436","0.0016","90","","99.96","0.001","90","","1431.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bromido[2-(phenanthrolin-2-yl)phenyl-κ^3^<i>C</i>^1^,<i>N</i>,<i>N</i>')palladium(II)","","- C18 H11 Br N2 Pd -","- C18 H11 Br N2 Pd -","- C72 H44 Br4 N8 Pd4 -","4","1","GZ3246","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Falcon, Roland; Stoltz, Kristen; Warren, John C.; Wiswell, Sara E.; Connick, William B.; Collins, Sibrina N.","In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)","Acta Crystallographica Section C","2014","70","3","260","266","10.1107/S2053229614001843","","","0.7749","synchrotron","","0.0414","0.0332","","","0.0802","0.0839","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019479","17.291","0.0017","12.5737","0.0005","21.8534","0.0005","90","","90","","90","","4751.2","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>cis</i>-Dichlorido(ethylamine-κ<i>N</i>)(piperidine-κ<i>N</i>)platinum(II)","","- C7 H18 Cl2 N2 Pt -","- C7 H18 Cl2 N2 Pt -","- C112 H288 Cl32 N32 Pt16 -","16","2","","Nguyen Thi Thanh, Chi; Nguyen Bich, Ngan; Van Meervelt, Luc","Hydrogen-bonded chains in three <i>cis</i>-dichloridoplatinum(II) complexes bearing piperidine and amine ligands","Acta Crystallographica Section C","2014","70","3","297","301","10.1107/S2053229614003386","","","0.71073","MoKα","","0.0258","0.0188","","","0.0386","0.0409","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019480","6.38","0.0004","9.9376","0.0009","12.7899","0.0008","108.733","0.007","91.463","0.005","106.893","0.007","728.46","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Dichlorido(3-methoxyaniline-κ<i>N</i>)(piperidine-κ<i>N</i>)platinum(II)","","- C12 H20 Cl2 N2 O Pt -","- C12 H20 Cl2 N2 O Pt -","- C24 H40 Cl4 N4 O2 Pt2 -","2","1","","Nguyen Thi Thanh, Chi; Nguyen Bich, Ngan; Van Meervelt, Luc","Hydrogen-bonded chains in three <i>cis</i>-dichloridoplatinum(II) complexes bearing piperidine and amine ligands","Acta Crystallographica Section C","2014","70","3","297","301","10.1107/S2053229614003386","","","0.71073","MoKα","","0.0203","0.0186","","","0.0374","0.0382","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019481","10.892","0.0019","11.3011","0.0008","13.199","0.003","90","","112.68","0.02","90","","1499.1","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-dichlorido(piperidine-κ<i>N</i>)(quinoline-κ<i>N</i>)platinum(II)","","- C14 H18 Cl2 N2 Pt -","- C14 H18 Cl2 N2 Pt -","- C56 H72 Cl8 N8 Pt4 -","4","1","","Nguyen Thi Thanh, Chi; Nguyen Bich, Ngan; Van Meervelt, Luc","Hydrogen-bonded chains in three <i>cis</i>-dichloridoplatinum(II) complexes bearing piperidine and amine ligands","Acta Crystallographica Section C","2014","70","3","297","301","10.1107/S2053229614003386","","","0.71073","MoKα","","0.0281","0.0247","","","0.0581","0.061","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019482","8.8053","0.0003","10.9821","0.0004","9.008","0.0006","90","","118.51","0.003","90","","765.45","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(6<i>R</i>*,11<i>R</i>*)-5-Acetyl-11-ethyl-6,11-dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]azepine-6-carboxylic acid","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","YF3057","Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related dibenzazepine carboxylic acids: hydrogen-bonded aggregation in one, two and three dimensions","Acta Crystallographica Section C","2014","70","3","332","337","10.1107/S2053229614003568","","","0.71073","MoKα","","0.0455","0.036","","","0.0772","0.0807","","","","","","1.146","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019483","15.2894","0.0016","10.76","0.002","10.538","0.002","90","","100.99","0.011","90","","1701.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(6<i>RS</i>,11<i>SR</i>)-5-Acetyl-11-ethyl-2-methyl-6,11-dihydro-\ 5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]azepine-6-carboxylic acid","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","YF3057","Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related dibenzazepine carboxylic acids: hydrogen-bonded aggregation in one, two and three dimensions","Acta Crystallographica Section C","2014","70","3","332","337","10.1107/S2053229614003568","","","0.71073","MoKα","","0.1051","0.0586","","","0.1302","0.1548","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019484","9.2283","0.0011","16.691","0.002","11.9824","0.0018","90","","103.82","0.011","90","","1792.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(6<i>RS</i>,11<i>SR</i>)-5-Acetyl-11-ethyl-1,3-dimethyl-6,11-dihydro-\ 5<i>H</i>-dibenzo[<i>b</i>,<i>e</i>]azepine-6-carboxylic acid","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","YF3057","Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related dibenzazepine carboxylic acids: hydrogen-bonded aggregation in one, two and three dimensions","Acta Crystallographica Section C","2014","70","3","332","337","10.1107/S2053229614003568","","","0.71073","MoKα","","0.1188","0.0575","","","0.0998","0.1195","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019485","8.8762","0.0008","14.2372","0.0014","9.5878","0.0009","90","","104.964","0.002","90","","1170.54","0.19","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[dichloridocobalt(II)]-μ-(1,1'-dimethyl-4,4'-bipyrazole-κ^2^<i>N</i>^2^:<i>N</i>^2'^)]","","- C8 H10 Cl2 Co N4 -","- C8 H10 Cl2 Co N4 -","- C32 H40 Cl8 Co4 N16 -","4","1","OV3046","Domasevitch, Konstantin V.","Cobalt(II) chloride complexes with 1,1'-dimethyl-4,4'-bipyrazole featuring first- and second-sphere coordination of the ligand","Acta Crystallographica Section C","2014","70","3","272","276","10.1107/S2053229614002046","","","0.71073","MoKα","","0.0462","0.0316","","","0.0807","0.0835","","","","","","0.961","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019486","9.2087","0.0008","11.1415","0.001","12.2523","0.001","63.071","0.002","83.665","0.003","72.592","0.002","1068.96","0.16","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Tetraaquabis(1,1'-dimethyl-4,4'-bipyrazole-κ<i>N</i>^2^)cobalt(II) dichloride‒1,1'-dimethyl-4,4'-bipyrazole‒water (1/2/2)","","- C32 H52 Cl2 Co N16 O6 -","- C32 H52 Cl2 Co N16 O6 -","- C32 H52 Cl2 Co N16 O6 -","1","0.5","OV3046","Domasevitch, Konstantin V.","Cobalt(II) chloride complexes with 1,1'-dimethyl-4,4'-bipyrazole featuring first- and second-sphere coordination of the ligand","Acta Crystallographica Section C","2014","70","3","272","276","10.1107/S2053229614002046","","","0.71073","MoKα","","0.0452","0.0397","","","0.102","0.1043","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019487","15.0769","0.0004","20.0774","0.0007","13.7166","0.0003","90","","103.711","0.0015","90","","4033.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[diaqua(methanol-κ<i>O</i>)copper(II)]-μ-<i>N</i>-(4-methylpyrimidin-2-yl-κ<i>N</i>^1^)pyrazin-2-amine-κ^2^<i>N</i>^1^:<i>N</i>^4^] [[aqua(aqua/methanol-κ<i>O</i>)(perchlorato-κ<i>O</i>)copper(II)]-μ-<i>N</i>-(4-methylpyrimidin-2-yl-κ<i>N</i>^1^)pyrazin-2-amine-κ^2^<i>N</i>^1^:<i>N</i>^4^] tris(perchlorate) methanol monosolvate 1.42-hydrate]","","- C20.58 H38 Cl4 Cu2 N10 O23.42 -","- C20.581 H37.162 Cl4 Cu2 N10 O23.419 -","- C82.324 H148.648 Cl16 Cu8 N40 O93.676 -","4","1","OV3044","Wu, Yang; Wang, Wen-Zhen; Ismayilov, Rayyat Huseyn; Lee, Gene-Hsiang; Peng, Shie-Ming","A coordination polymer consisting of two different one-dimensional copper(II) chains","Acta Crystallographica Section C","2014","70","3","285","288","10.1107/S2053229614002472","","","0.71073","MoKα","","0.1133","0.0636","","","0.1703","0.1938","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019488","12.6931","0.0011","13.016","0.0012","14.3559","0.0014","103.065","0.001","112.942","0.002","96.471","0.001","2073.6","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaquabis(4-{[(1-phenyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]methyl}benzoato-κ<i>O</i>)nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] monohydrate]","","- C40 H36 N10 Ni O7 S2 -","- C40 H36 N10 Ni O7 S2 -","- C80 H72 N20 Ni2 O14 S4 -","2","1","SK3527","Geng, Aijing; Zhang, Qingfu; Wang, Jiajia; Zhang, Haina; Sun, Dezhi","A new one-dimensional nickel metal‒organic framework: <i>catena</i>-poly[[[diaquabis(4-{[(1-phenyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]methyl}benzoato-κ<i>O</i>)nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] monohydrate]","Acta Crystallographica Section C","2014","70","3","267","271","10.1107/S2053229614002277","","","0.71073","MoKα","","0.1068","0.0524","","","0.1053","0.1199","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019489","26.9945","0.0008","3.7322","0.0003","12.6731","0.0008","90","","90","","90","","1276.8","0.14","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","SK3526","Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine","The structural properties of a noncentrosymmetric polymorph of 4-aminobenzoic acid","Acta Crystallographica Section C","2014","70","3","323","325","10.1107/S2053229614002447","","","0.71073","MoKα","","0.0647","0.051","","","0.1209","0.1303","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019490","27.9242","0.0004","31.1922","0.0005","32.2596","0.0005","90","","102.987","0.001","90","","27379.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquahexa-μ-chlorido-μ~4~-oxido-tris(tetrahydrofuran-κ<i>O</i>)tetracopper(II)‒hexa-μ-chlorido-μ~4~-oxido-tetrakis(tetrahydrofuran-κ<i>O</i>)tetracopper(II)‒tetrahydrofuran (2/1/4)","","- C56 H116 Cl18 Cu12 O19 -","- C56 H116 Cl18 Cu12 O19 -","- C672 H1392 Cl216 Cu144 O228 -","12","3","YF3054","Wheeler, Kraig A.; Helgren, Travis R.; Clayton, Jr, Thomas W.","The bimolecular structure of aquahexa-μ-chlorido-μ~4~-oxido-tris(tetrahydrofuran-κ<i>O</i>)tetracopper(II)‒hexa-μ-chlorido-μ~4~-oxido-tetrakis(tetrahydrofuran-κ<i>O</i>)tetracopper(II)‒tetrahydrofuran (2/1/4)","Acta Crystallographica Section C","2014","70","3","306","311","10.1107/S205322961400374X","","","1.54178","CuKα","","0.0812","0.0409","","","0.0759","0.0888","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019491","10.4675","0.0007","10.5147","0.0006","13.1941","0.0008","108.426","0.003","101.31","0.004","96.791","0.003","1325.38","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","<i>rac</i>-1-[(<i>N</i>,4-Dimethylbenzenesulfonamido)methyl]-2-(diphenylphosphoryl)ferrocene‒<i>rac</i>-1-[(<i>N</i>,4-dimethylbenzenesulfonamido)methyl]-2-(diphenylphosphanyl)ferrocene (0.45/0.55)","","- C31 H30 Fe N O2 P S -","- C31 H30 Fe N O2.45 P S -","- C62 H60 Fe2 N2 O4.9 P2 S2 -","2","1","KU3123","Wei, Muh-Mei; Audin, Catherine; Manoury, Eric; Deydier, Eric; Daran, Jean-Claude","The cocrystal <i>rac</i>-1-[(<i>N</i>,4-dimethylbenzenesulfonamido)methyl]-2-(diphenylphosphoryl)ferrocene‒<i>rac</i>-1-[(<i>N</i>,4-dimethylbenzenesulfonamido)methyl]-2-(diphenylphosphanyl)ferrocene (0.45/0.55)","Acta Crystallographica Section C","2014","70","3","281","284","10.1107/S2053229614002988","","","0.71073","MoKα","","0.049","0.0367","","","0.0891","0.0969","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019492","10.6881","0.0007","15.2125","0.0008","10.2455","0.0006","90","","110.391","0.007","90","","1561.46","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-Diethyl-4,4'-bipyridine-1,1'-diium bis(1,1,3,3-tetracyano-2-ethoxypropenide","","- C32 H28 N10 O2 -","- C32 H28 N10 O2 -","- C64 H56 N20 O4 -","2","0.5","SK3538","Setifi, Zouaoui; Lehchili, Fouzia; Setifi, Fatima; Beghidja, Adel; Ng, Seik Weng; Glidewell, Christopher","1,1'-Diethyl-4,4'-bipyridine-1,1'-diium bis(1,1,3,3-tetracyano-2-ethoxypropenide): multiple C—H···N hydrogen bonds form a complex sheet structure","Acta Crystallographica Section C","2014","70","3","338","341","10.1107/S2053229614004379","","","0.71073","MoKα","","0.0722","0.0543","","","0.1126","0.1205","","","","","","1.121","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019493","8.6999","0.0004","13.1458","0.0006","13.6405","0.0005","86.201","0.003","72.482","0.003","74.886","0.003","1436.09","0.11","296","","296","","","","","","","","","6","P -1","-P 1","2","","3-[(Diphenylphosphinothioyl)oxy]-<i>N</i>-methylpropan-1-aminium diphenylphosphanylthioate","","- C28 H31 N O2 P2 S2 -","- C28 H31 N O2 P2 S2 -","- C56 H62 N2 O4 P4 S4 -","2","1","QS3034","Karaman, Merve; İrişli, Sevil; Büyükgüngör, Orhan","3-[(Diphenylphosphinothioyl)oxy]-<i>N</i>-methylpropan-1-aminium diphenylphosphanylthioate","Acta Crystallographica Section C","2014","70","3","320","322","10.1107/S2053229614002757","","","0.71073","MoKα","","0.0475","0.039","","","0.1023","0.1074","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019494","8.1153","0.0016","9.3797","0.0019","13.35","0.003","93.81","0.03","105.48","0.03","114.03","0.03","876.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ~2~-(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene][μ~4~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato][μ~2~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato]dizinc(II)]","","- C20 H13 N3 O4 Zn -","- C20 H13 N3 O4 Zn -","- C40 H26 N6 O8 Zn2 -","2","1","YP3058","Yu, Cai-Xia; Zhao, Feng; Zhou, Min; Zhi, Dan-Feng; Liu, Lei-Lei","A three-dimensional Zn^II^ coordination framework: poly[[μ~2~-(<i>E</i>)-1,2-bis(pyridin-4-yl)ethene][μ~4~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato][μ~2~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato]dizinc(II)]","Acta Crystallographica Section C","2014","70","3","277","280","10.1107/S2053229614001077","","","0.71073","MoKα","","0.0841","0.0484","","","0.096","0.1109","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019495","8.1651","0.0005","23.7109","0.0014","11.8159","0.0007","90","","94.801","0.001","90","","2279.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido[3-methyl-6-[6-(6-methyl-2,3-dihydro-1,2,4,5-tetrazin-3-yl-\ κ<i>N</i>^4^)pyridin-2-yl-κ<i>N</i>]-1,4-dihydro-1,2,4,5-tetrazin-1-\ yl-κ<i>N</i>^1^]oxidovanadium(IV)","","- C16 H17.5 Cl2 N11.5 O V -","- C16 H17.5 Cl2 N11.5 O V -","- C64 H70 Cl8 N46 O4 V4 -","4","1","FA3324","Hui, Alice K.; Chen, Chun-Hsing; Terwilliger, Adam M.; Lord, Richard L.; Caulton, Kenneth G.","A tale of hydrogen abstraction, initially detected <i>via</i> X-ray diffraction","Acta Crystallographica Section C","2014","70","3","250","255","10.1107/S2053229614003234","","","0.41328","synchrotron","","0.0484","0.041","","","0.1098","0.1135","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019496","10.2729","0.0003","9.8483","0.0005","10.651","0.0003","90","","114.368","0.004","90","","981.57","0.07","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~3~-hydrogen phosphito-κ^3^<i>O</i>:<i>O</i>':<i>O</i>')(piperidin-1-ium-4-carboxylate-κ<i>O</i>)zinc(II)]","","- C6 H12 N O5 P Zn -","- C6 H12 N O5 P Zn -","- C24 H48 N4 O20 P4 Zn4 -","4","1","FG3318","Wang, Guo-Ming; Zhao, Xiao-Meng; Zhang, Xiao; Bao, Zhen-Zhen","The inorganic‒organic hybrid zinc phosphite poly[(μ~3~-hydrogen phosphito-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')(piperidin-1-ium-4-carboxylate-κ<i>O</i>)zinc(II)]","Acta Crystallographica Section C","2014","70","3","289","291","10.1107/S2053229614003118","","","0.71073","MoKα","","0.0499","0.0415","","","0.0939","0.099","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019497","15.1501","0.0013","8.29","0.0007","12.3879","0.0011","90","","96.936","0.002","90","","1544.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[(μ~3~-4-{[(1-phenyl-1<i>H</i>-tetrazol-5- yl)sulfanyl]methyl}benzoato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>^4^)silver(I)]","","- C15 H11 Ag N4 O2 S -","- C15 H11 Ag N4 O2 S -","- C60 H44 Ag4 N16 O8 S4 -","4","1","EG3149","Zhang, Hai-Na; Zhang, Qing-Fu; Wang, Jia-Jia; Geng, Ai-Jing; Zhang, Chong","A one-dimensional silver(I) coordination polymer based on an asymmetric flexible <i>N</i>-donor carboxylate ligand: <i>catena</i>-poly[(μ~3~-4-{[(1-phenyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]methyl}benzoato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>^4^)silver(I)]","Acta Crystallographica Section C","2014","70","3","292","296","10.1107/S205322961400312X","","","0.71073","MoKα","","0.0752","0.0446","","","0.1062","0.1186","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019498","5.805","0.0005","10.0561","0.0008","15.3077","0.0011","90","","90","","90","","893.6","0.12","200","1","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ammonium 3,5-dinitrobenzoate","Ammonium 3,5-dinitrobenzoate","","- C7 H7 N3 O6 -","- C7 H7 N3 O6 -","- C28 H28 N12 O24 -","4","1","KY3047","Smith, Graham","Hydrogen-bonded two- and three-dimensional polymeric structures in the ammonium salts of 3,5-dinitrobenzoic acid, 4-nitrobenzoic acid and 2,4-dichlorobenzoic acid","Acta Crystallographica Section C","2014","70","3","315","319","10.1107/S2053229614002459","","","0.71073","MoKα","","0.0547","0.0437","","","0.0949","0.1009","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019499","5.9948","0.0004","6.9049","0.0005","23.8977","0.0015","90","","93.523","0.006","90","","987.34","0.12","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ammonium 4-nitrobenzoate dihydrate","Ammonium 4-nitrobenzoate dihydrate","","- C7 H12 N2 O6 -","- C7 H12 N2 O6 -","- C28 H48 N8 O24 -","4","1","KY3047","Smith, Graham","Hydrogen-bonded two- and three-dimensional polymeric structures in the ammonium salts of 3,5-dinitrobenzoic acid, 4-nitrobenzoic acid and 2,4-dichlorobenzoic acid","Acta Crystallographica Section C","2014","70","3","315","319","10.1107/S2053229614002459","","","0.71073","MoKα","","0.0524","0.0404","","","0.1045","0.1075","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019500","31.968","0.004","4.3558","0.0007","13.0458","0.0014","90","","92.763","0.012","90","","1814.5","0.4","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ammonium 2,4-dichlorobenzoate hemihydrate","Ammonium 2,4-dichlorobenzoate hemihydrate","","- C7 H8 Cl2 N O2.5 -","- C7 H8 Cl2 N O2.5 -","- C56 H64 Cl16 N8 O20 -","8","1","KY3047","Smith, Graham","Hydrogen-bonded two- and three-dimensional polymeric structures in the ammonium salts of 3,5-dinitrobenzoic acid, 4-nitrobenzoic acid and 2,4-dichlorobenzoic acid","Acta Crystallographica Section C","2014","70","3","315","319","10.1107/S2053229614002459","","","0.71073","MoKα","","0.0596","0.0449","","","0.1066","0.117","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019501","7.3088","0.0019","7.3343","0.0011","10.0658","0.0014","87.759","0.011","71.037","0.014","66.135","0.014","463.99","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[tetraaquabis(μ~3~-pyridine-2,5-dicarboxylato-κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^:<i>O</i>^5'^)dicobalt(II)] dihydrate]","","- C14 H18 Co2 N2 O14 -","- C14 H18 Co2 N2 O14 -","- C14 H18 Co2 N2 O14 -","1","0.5","BG3170","Hou, Qing-Biao; Chen, Li-Juan; Guo, Jing; Lin, Shen","A novel two-dimensional cobalt(II) complex composed of one-dimensional twisted pair-like chains: poly[[tetraaquabis(μ~3~-pyridine-2,5-dicarboxylato-κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^5^:<i>O</i>^5'^)dicobalt(II)] dihydrate]","Acta Crystallographica Section C","2014","70","3","302","305","10.1107/S2053229614003696","","","0.71073","MoKα","","0.04","0.0306","","","0.0793","0.0847","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019502","5.19817","0.00015","5.19817","0.00015","8.5865","0.0003","90","","90","","120","","200.931","0.011","295","","295","","","","","","","","","4","P 63","P 6c","173","","Potassium aluminium orthosilicate","","- Al K O4 Si -","- Al K O4 Si -","- Al2 K2 O8 Si2 -","2","0.333333","CU3046","Kremenović, Aleksandar; Vulić, Predrag","Disordered kalsilite KAlSiO~4~","Acta Crystallographica Section C","2014","70","3","256","259","10.1107/S2053229614002423","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","2.1601","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019503","6.001","0.0005","30.802","0.0017","8.798","0.0004","90","","90.12","0.004","90","","1626.24","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-phenylalanine","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","4","SK3518","Mossou, Estelle; Teixeira, Susana C. M.; Mitchell, Edward P.; Mason, Sax A.; Adler-Abramovich, Lihi; Gazit, Ehud; Forsyth, V. Trevor","The self-assembling zwitterionic form of <small>L</small>-phenylalanine at neutral pH","Acta Crystallographica Section C","2014","70","3","326","331","10.1107/S2053229614002563","","","0.61995","synchrotron","","0.0776","0.0641","","","0.164","0.1696","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019504","8.3602","0.0001","14.5133","0.0001","13.9874","0.0001","90","","104.967","0.001","90","","1639.57","0.03","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tribromido(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')gallium(III)","","- C15 H11 Br3 Ga N3 -","- C15 H11 Br3 Ga N3 -","- C60 H44 Br12 Ga4 N12 -","4","1","OV3045","Kazakov, Igor V.; Bodensteiner, Michael; Timoshkin, Alexey Y.","Masking of Lewis acidity trends in the solid-state structures of trichlorido- and tribromido(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')gallium(III)","Acta Crystallographica Section C","2014","70","3","312","314","10.1107/S2053229614003349","","","1.5418","CuKα","","0.021","0.0196","","","0.0488","0.0495","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019505","8.2492","0.0002","14.177","0.0003","13.7119","0.0003","90","","104.217","0.003","90","","1554.48","0.06","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Trichlorido(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')gallium(III)","","- C15 H11 Cl3 Ga N3 -","- C15 H11 Cl3 Ga N3 -","- C60 H44 Cl12 Ga4 N12 -","4","1","OV3045","Kazakov, Igor V.; Bodensteiner, Michael; Timoshkin, Alexey Y.","Masking of Lewis acidity trends in the solid-state structures of trichlorido- and tribromido(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')gallium(III)","Acta Crystallographica Section C","2014","70","3","312","314","10.1107/S2053229614003349","","","0.7107","MoKα","","0.0637","0.033","","","0.0491","0.0518","","","","","","0.82","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019506","7.2123","0.0005","13.0205","0.0008","17.0317","0.0011","77.185","0.006","80.933","0.005","83.401","0.005","1534.76","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Sodium 2-hydroxy-5-[(<i>E</i>)-(4-nitrophenyl)diazenyl]benzoate trihydrate","","- C13 H14 N3 Na O8 -","- C13 H14 N3 Na O8 -","- C52 H56 N12 Na4 O32 -","4","2","YF3059","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.","<i>syn</i> and <i>anti</i> conformations in 2-hydroxy-5-[(<i>E</i>)-(4-nitrophenyl)diazenyl]benzoic acid and two related salts","Acta Crystallographica Section C","2014","70","5","493","497","10.1107/S2053229614007827","","","0.71073","MoKα","","0.073","0.0408","","","0.1047","0.1196","","","","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019507","4.9319","0.0005","11.6649","0.0014","21.619","0.002","90","","94.991","0.008","90","","1239","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C.I. Mordant Orange 1","2-Hydroxy-5-[(<i>E</i>)-(4-nitrophenyl)diazenyl]benzoic acid","","- C13 H9 N3 O5 -","- C13 H9 N3 O5 -","- C52 H36 N12 O20 -","4","1","YF3059","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.","<i>syn</i> and <i>anti</i> conformations in 2-hydroxy-5-[(<i>E</i>)-(4-nitrophenyl)diazenyl]benzoic acid and two related salts","Acta Crystallographica Section C","2014","70","5","493","497","10.1107/S2053229614007827","","","1.54186","CuKα","","0.0513","0.0406","","","0.1124","0.1191","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019508","6.0471","0.0001","34.371","0.001","6.2824","0.0002","90","","103.278","0.002","90","","1270.86","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ammonium 2-hydroxy-5-[(<i>E</i>)-phenyldiazenyl]benzoate","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C52 H52 N12 O12 -","4","1","YF3059","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.","<i>syn</i> and <i>anti</i> conformations in 2-hydroxy-5-[(<i>E</i>)-(4-nitrophenyl)diazenyl]benzoic acid and two related salts","Acta Crystallographica Section C","2014","70","5","493","497","10.1107/S2053229614007827","","","1.54186","CuKα","","0.0764","0.0482","","","0.1254","0.1405","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019509","10.239","0.002","12.191","0.002","13.91","0.003","94.6","0.03","93.75","0.03","99.87","0.03","1699.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~2~-4,4'-bipyridine)(μ~4~-naphthalene-1,4-dicarboxylato)(μ~2~-naphthalene-1,4-dicarboxylato)dizinc(II)] dimethylformamide monosolvate monohydrate]","","- C37 H29 N3 O10 Zn2 -","- C37 H29 N3 O10 Zn2 -","- C74 H58 N6 O20 Zn4 -","2","1","SK3543","Cui, Guo-Gen; Yang, Xiao-Xi; Yang, Jian-Ping","A twofold interpenetrating three-dimensional zinc‒organic framework built from naphthalene-1,4-dicarboxylate and 4,4'-bipyridine ligands","Acta Crystallographica Section C","2014","70","5","498","501","10.1107/S2053229614008407","","","0.71073","MoKα","","0.0792","0.0566","","","0.1259","0.1375","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019510","13.409","0.004","8.564","0.002","15.535","0.004","90","","93.842","0.005","90","","1779.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[aqua(μ~3~-benzene-1,4-dicarboxylato-κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^:<i>O</i>^4^,<i>O</i>^4'^)[2-(pyridin-3-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole]cadmium(II)]","","- C20 H15 Cd N3 O5 -","- C20 H15 Cd N3 O5 -","- C80 H60 Cd4 N12 O20 -","4","1","","Chen, Xiao-Hua; Huang, Hua; Yang, Ming-Xing; Chen, Li-Juan; Lin, Shen","Cd^II^ and Co^II^ coordination polymers constructed from benzene-1,4-dicarboxylic acid and 2-(pyridin-3-yl)-1<i>H</i>-benzimidazole ligands","Acta Crystallographica Section C","2014","70","5","488","492","10.1107/S2053229614007992","","","0.71073","MoKα","","0.0305","0.0291","","","0.0738","0.075","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019511","11.46","0.002","16.543","0.003","14.674","0.003","90","","90","","90","","2781.9","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[[diaquabis[2-(pyridin-3-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole]cobalt(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","","- C32 H26 Co N6 O6 -","- C32 H26 Co N6 O6 -","- C128 H104 Co4 N24 O24 -","4","1","","Chen, Xiao-Hua; Huang, Hua; Yang, Ming-Xing; Chen, Li-Juan; Lin, Shen","Cd^II^ and Co^II^ coordination polymers constructed from benzene-1,4-dicarboxylic acid and 2-(pyridin-3-yl)-1<i>H</i>-benzimidazole ligands","Acta Crystallographica Section C","2014","70","5","488","492","10.1107/S2053229614007992","","","0.71073","MoKα","","0.0413","0.0399","","","0.107","0.1084","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019512","13.923","0.005","6.807","0.004","15.166","0.005","90","","95.76","0.03","90","","1430.1","1.1","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-Benzoylimino-5-(morpholin-4-yl)-1,2,4-diselenazole","<i>N</i>-[5-(morpholin-4-yl)-3<i>H</i>-1,2,4-diselenazol-3-ylidene]benzamide","","- C13 H13 N3 O2 Se2 -","- C13 H13 N3 O2 Se2 -","- C52 H52 N12 O8 Se8 -","4","1","KY3053","Linden, Anthony; Zhou, Yuehui; Heimgartner, Heinz","Intra- and intermolecular Se···<i>X</i> (<i>X</i> = Se, O) interactions in selenium-containing heterocycles: 3-benzoylimino-5-(morpholin-4-yl)-1,2,4-diselenazole","Acta Crystallographica Section C","2014","70","5","482","487","10.1107/S2053229614008237","","","0.71073","MoKα","","0.093","0.0377","","","0.08","0.0919","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019513","10.7284","0.0004","23.9422","0.0011","12.0949","0.0006","90","","97.311","0.004","90","","3081.5","0.2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(diphenylphosphinothioyl)-2-{[(diphenylphosphinothioyl)sulfanyl]methyl}ferrocene","","- C35 H30 Fe P2 S3 -","- C35 H30 Fe P2 S3 -","- C140 H120 Fe4 P8 S12 -","4","1","FA3335","Mouas Toma, Nardjes; Daran, Jean-Claude; Merazig, Hocine; Manoury, Eric","A new <i>P</i>,<i>S</i>-coordinating ferrocenyl ligand: synthesis of a precursor and its coordination compounds with Pd^II^ and Pt^II^","Acta Crystallographica Section C","2014","70","5","460","464","10.1107/S2053229614007554","","","0.71073","MoKα","","0.038","0.0299","","","0.0719","0.0749","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019514","22.5734","0.0004","11.0824","0.0002","21.1091","0.0004","90","","105.653","0.001","90","","5084.96","0.16","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(<i>R</i>,<i>R</i>/<i>S</i>,<i>S</i>)-Bis{μ-[2-(diphenylphosphanyl)ferrocen-1-yl]methanethiolato-κ^3^<i>P</i>,<i>S</i>:<i>S</i>}bis[chloridopalladium(II)] pentane disolvate","","- C56 H64 Cl2 Fe2 P2 Pd2 S2 -","- C46 H40 Cl2 Fe2 P2 Pd2 S2 -","- C184 H160 Cl8 Fe8 P8 Pd8 S8 -","4","0.5","FA3335","Mouas Toma, Nardjes; Daran, Jean-Claude; Merazig, Hocine; Manoury, Eric","A new <i>P</i>,<i>S</i>-coordinating ferrocenyl ligand: synthesis of a precursor and its coordination compounds with Pd^II^ and Pt^II^","Acta Crystallographica Section C","2014","70","5","460","464","10.1107/S2053229614007554","","","0.71073","MoKα","","0.026","0.0228","","","0.0489","0.0508","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019515","23.551","0.0013","11.0936","0.0003","20.7693","0.0008","90","","106.285","0.005","90","","5208.6","0.4","180.05","0.1","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(<i>R</i>,<i>R</i>/<i>S</i>,<i>S</i>)-Bis{μ-[2-(diphenylphosphanyl)ferrocen-1-yl]methanethiolato-κ^3^<i>P</i>,<i>S</i>:<i>S</i>}bis[chloridoplatinum(II)] toluene monosolvate","","- C53 H48 Cl2 Fe2 P2 Pt2 S2 -","- C46 H40 Cl2 Fe2 P2 Pt2 S2 -","- C184 H160 Cl8 Fe8 P8 Pt8 S8 -","4","0.5","FA3335","Mouas Toma, Nardjes; Daran, Jean-Claude; Merazig, Hocine; Manoury, Eric","A new <i>P</i>,<i>S</i>-coordinating ferrocenyl ligand: synthesis of a precursor and its coordination compounds with Pd^II^ and Pt^II^","Acta Crystallographica Section C","2014","70","5","460","464","10.1107/S2053229614007554","","","0.71073","MoKα","","0.0448","0.0339","","","0.0838","0.0894","","","","","","0.846","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019516","11.9003","0.0001","17.6185","0.0003","13.7173","0.0002","90","","91.157","0.001","90","","2875.46","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[(μ~4~-benzene-1,3,5-tricarboxylato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')(μ-hydroxido-κ^2^<i>O</i>:<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')dizinc(II)] monohydrate]","","- C33 H20.64 N4 O7.32 Zn2 -","- C33 H20 N4 O7.316 Zn2 -","- C132 H80 N16 O29.264 Zn8 -","4","1","WQ3051","Fan, Hong-Jie; Xu, Qian-Qian; Ren, Tie-Zhen; Xing, Xiang-Ying; Christensen, Kirsten E.","Zn/Mn‒MOFs with `S-shaped' packing modes","Acta Crystallographica Section C","2014","70","5","502","507","10.1107/S2053229614005828","","","0.6889","synchrotron","","0.0445","0.0413","","","0.1321","0.1344","","","","","","1.214","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019517","10.0433","0.0001","10.8307","0.0001","18.5159","0.0001","90","","93.779","0.001","90","","2009.71","0.03","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[bis(μ~6~-benzene-1,3,5-tricarboxylato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')bis(μ~3~-hydroxido-κ^2^<i>O</i>:<i>O</i>:<i>O</i>)bis(μ~2~-hydroxido-κ^2^<i>O</i>:<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tetramanganese(II)] 1.32-hydrate]","","- C21 H13.26 Mn2 N2 O7.63 -","- C21 H12 Mn2 N2 O7.628 -","- C84 H48 Mn8 N8 O30.512 -","4","1","WQ3051","Fan, Hong-Jie; Xu, Qian-Qian; Ren, Tie-Zhen; Xing, Xiang-Ying; Christensen, Kirsten E.","Zn/Mn‒MOFs with `S-shaped' packing modes","Acta Crystallographica Section C","2014","70","5","502","507","10.1107/S2053229614005828","","","1.54184","CuKα","","0.033","0.0298","","","0.0746","0.0766","","","","","","1.043","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019518","10.7474","0.0004","22.7052","0.0009","9.9647","0.0005","90","","103.39","0.004","90","","2365.5","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)nickel(II) pentahydrate","","- C22 H26 N4 Ni O9 -","- C22 H26 N4 Ni O9 -","- C88 H104 N16 Ni4 O36 -","4","1","FN3166","Farkašová, Nela; Černák, Juraj; Tomás, Milagros; Falvello, Larry R.","Synthesis, characterization and crystal structure of the new pentahydrate of bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)nickel(II)","Acta Crystallographica Section C","2014","70","5","477","481","10.1107/S2053229614007499","","","0.71073","MoKα","","0.037","0.0301","","","0.072","0.0767","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019519","8.2154","0.0004","8.2154","0.0004","13.1972","0.0008","90","","90","","120","","771.38","0.07","290","2","290","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","Tetraethylammonium tetrachloridoferrate(III)","","- C8 H20 Cl4 Fe N -","- C8.0016 H20.004 Cl4 Fe N -","- C16.0032 H40.008 Cl8 Fe2 N2 -","2","0.166667","GZ3264","Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section C","2014","70","5","470","476","10.1107/S2053229614007955","","","0.71073","MoKα","","0.0268","0.0231","","","0.0624","0.0652","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019520","24.513","0.0006","24.513","0.0006","13.0356","0.0005","90","","90","","120","","6783.5","0.4","230","2","230","2","","","","","","","","5","P 63","P 6c","173","","Tetraethylammonium tetrachloridoferrate(III)","","- C8 H20 Cl4 Fe N -","- C8 H20 Cl4 Fe N -","- C144 H360 Cl72 Fe18 N18 -","18","3","GZ3264","Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section C","2014","70","5","470","476","10.1107/S2053229614007955","","","0.71073","MoKα","","0.0414","0.0321","","","0.0777","0.0829","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019521","14.0182","0.0008","8.1493","0.0005","12.8767","0.0008","90","","90","","90","","1471.02","0.15","170","2","170","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Tetraethylammonium tetrachloridoferrate(III)","","- C8 H20 Cl4 Fe N -","- C8 H20 Cl4 Fe N -","- C32 H80 Cl16 Fe4 N4 -","4","1","GZ3264","Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section C","2014","70","5","470","476","10.1107/S2053229614007955","","","0.71073","MoKα","","0.015","0.0141","","","0.0332","0.0335","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019522","13.9816","0.0006","8.1243","0.0003","12.8097","0.0006","90","","90","","90","","1455.06","0.11","110","2","110","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Tetraethylammonium tetrachloridoferrate(III)","","- C8 H20 Cl4 Fe N -","- C8 H20 Cl4 Fe N -","- C32 H80 Cl16 Fe4 N4 -","4","1","GZ3264","Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.","Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section C","2014","70","5","470","476","10.1107/S2053229614007955","","","0.71073","MoKα","","0.0127","0.0122","","","0.0295","0.0296","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019523","20.273","0.004","12.4463","0.0006","19.4907","0.0016","90","","113.08","0.009","90","","4524.3","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(2,2'-bipyridine)iron(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) dihydrate","","- C48 H38 Fe N14 O4 -","- C48 H38 Fe N14 O4 -","- C192 H152 Fe4 N56 O16 -","4","0.5","YF3061","Setifi, Zouaoui; Setifi, Fatima; Boughzala, Habib; Beghidja, Adel; Glidewell, Christopher","Tris(2,2'-bipyridine)iron(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) dihydrate: chiral hydrogen-bonded frameworks interpenetrate in three dimensions","Acta Crystallographica Section C","2014","70","5","465","469","10.1107/S2053229614008092","","","0.71073","MoKα","","0.102","0.065","","","0.1222","0.1353","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019524","4.7988","0.0001","4.7988","0.0001","9.7802","0.0002","90","","90","","120","","195.049","0.007","299","2","299","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","Distrontium europium diboron disilicon dialiminium octanitride","","- Al1.88 B1.76 Eu0.1 N8.12 Si2.36 Sr1.9 -","- Al1.88 B1.76 Eu0.102 N8.12 Si2.36 Sr1.898 -","- Al1.88 B1.76 Eu0.102 N8.12 Si2.36 Sr1.898 -","1","0.0833333","QS3038","Funahashi, Shiro; Michiue, Yuichi; Takeda, Takashi; Xie, Rong-Jun; Hirosaki, Naoto","Substitutional disorder in Sr~2{-~<i>y</i>}Eu~<i>y~</i>B~2{-~2<i>x</i>}Si~2+3<i>x~</i>Al~2{-~<i>x</i>}N~8+<i>x~</i> (<i>x</i> ≃0.12, <i>y</i> ≃0.10)","Acta Crystallographica Section C","2014","70","5","452","454","10.1107/S2053229614007414","","","0.71073","MoKα","","0.022","0.0177","","","0.0371","0.0379","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019525","10.7379","0.0005","8.4198","0.0003","21.4724","0.0011","90","","97.618","0.004","90","","1924.21","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-bromido-bis[aqua(1,4,7,10,13,16-hexaoxacyclooctadecane)caesium(I)] dihydrate","","- C12 H28 Br Cs O8 -","- C12 H28 Br Cs O8 -","- C48 H112 Br4 Cs4 O32 -","4","1","SK3535","van Well, Natalija; Klein, Christian; Ritter, Franz; Assmus, Wolf; Krellner, Cornelius; Bolte, Michael","Two crown-ether-coordinated caesium halogen salts","Acta Crystallographica Section C","2014","70","5","455","459","10.1107/S2053229614006809","","","0.71073","MoKα","","0.0371","0.0346","","","0.0877","0.0895","","","","","","1.092","","","","has coordinates,has Fobs","198932","2020-10-21","18:00:00",""
"2019526","14.2567","0.0006","10.4542","0.0004","16.0386","0.0005","90","","90","","90","","2390.43","0.16","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","","Poly[[diaquadi-μ-chlorido-μ-(1,4,7,10,13,16-hexaoxacyclooctadecane)-dicaesium(I)] dihydrate]","","- C12 H32 Cl2 Cs2 O10 -","- C12 H32 Cl2 Cs2 O10 -","- C48 H128 Cl8 Cs8 O40 -","4","0.25","SK3535","van Well, Natalija; Klein, Christian; Ritter, Franz; Assmus, Wolf; Krellner, Cornelius; Bolte, Michael","Two crown-ether-coordinated caesium halogen salts","Acta Crystallographica Section C","2014","70","5","455","459","10.1107/S2053229614006809","","","0.71073","MoKα","","0.0305","0.0304","","","0.0827","0.0827","","","","","","1.205","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019527","12.2769","0.0018","12.4664","0.0018","16.5885","0.0017","90","","116.011","0.008","90","","2281.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~3~-2,2'-(disulfanediyl)dibenzoato-κ^5^<i>O</i>,<i>O</i>':<i>O</i>:<i>O</i>'',<i>O</i>'''](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","","- C26 H16 Cd N2 O4 S2 -","- C26 H16 Cd N2 O4 S2 -","- C104 H64 Cd4 N8 O16 S8 -","4","1","BG3177","Jin, Yu-Xiu; Yang, Fang; Yuan, Li-Min; Yan, Chao-Guo; Liu, Wen-Long","A two-dimensional Cd^II^ coordination polymer with 2,2'-(disulfanediyl)dibenzoate and 1,10-phenanthroline ligands","Acta Crystallographica Section C","2014","70","5","517","521","10.1107/S2053229614009036","","","0.71073","MoKα","","0.0772","0.0395","","","0.0678","0.079","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019528","7.0869","0.0002","6.9749","0.0002","9.8196","0.0003","90","","91.393","0.001","90","","485.24","0.02","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Dihydronium sodium trialuminum(III) dodecafluoride","Dihydronium sodium tris(tetrafluoroaluminate)","","- Al3 F12 H6 Na O2 -","- Al3 F12 H6 Na O2 -","- Al6 F24 H12 Na2 O4 -","2","0.5","EG3155","Jouffret, Laurent; Lhoste, Jerome; Hemon-Ribaud, Annie; Leblanc, Marc; Maisonneuve, Vincent","(H~3~O)~2~NaAl~3~F~12~, isostructural with <i>A</i>~2~NaAl~3~F~12~ (<i>A</i> = K^+^, Rb^+^, Cs^+^) fluorides having HTB-type sheets","Acta Crystallographica Section C","2014","70","5","512","516","10.1107/S205322961400919X","","","0.71073","MoKα","","0.0284","0.0281","","","0.0831","0.0835","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019529","9.4555","0.0003","9.9522","0.0004","12.8809","0.0005","82.536","0.003","80.868","0.003","64.345","0.003","1076.23","0.07","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","[Bis(morpholin-4-yl)(pentafluoroethyl)phosphane-κ<i>P</i>]pentacarbonylmolybdenum(0)","","- C15 H16 F5 Mo N2 O7 P -","- C15 H16 F5 Mo N2 O7 P -","- C30 H32 F10 Mo2 N4 O14 P2 -","2","1","EG3158","Petrochko, Natalia G.; Peters, R. Gregory; Baughman, Russell G.","Two molybdenum pentacarbonyl complexes with electroneutral phosphane ligands: [bis(morpholin-4-yl)(pentafluoroethyl)phosphane-κ<i>P</i>]pentacarbonylmolybdenum(0) and pentacarbonyl[(pentafluoroethyl)bis(piperidin-1-yl)phosphane-κ<i>P</i>]molybdenum(0)","Acta Crystallographica Section C","2014","70","5","508","511","10.1107/S2053229614007165","","","0.71073","MoKα","","0.028","0.0258","","","0.0689","0.0704","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019530","10.4472","0.0003","15.8563","0.0006","14.0067","0.0006","90","","105.11","0.003","90","","2240.05","0.15","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Pentacarbonyl[(pentafluoroethyl)bis(piperidin-1-yl)phosphane-κ<i>P</i>]molybdenum(0)","","- C17 H20 F5 Mo N2 O5 P -","- C17 H20 F5 Mo N2 O5 P -","- C68 H80 F20 Mo4 N8 O20 P4 -","4","1","EG3158","Petrochko, Natalia G.; Peters, R. Gregory; Baughman, Russell G.","Two molybdenum pentacarbonyl complexes with electroneutral phosphane ligands: [bis(morpholin-4-yl)(pentafluoroethyl)phosphane-κ<i>P</i>]pentacarbonylmolybdenum(0) and pentacarbonyl[(pentafluoroethyl)bis(piperidin-1-yl)phosphane-κ<i>P</i>]molybdenum(0)","Acta Crystallographica Section C","2014","70","5","508","511","10.1107/S2053229614007165","","","0.71073","MoKα","","0.0383","0.0284","","","0.068","0.0724","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019531","10.3883","0.0005","15.8826","0.0008","16.3309","0.0012","90","","97.949","0.006","90","","2668.6","0.3","140","5","140","5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[dinitratocobalt(II)]-μ-2-[1-(pyridin-4-ylmethyl)-1<i>H</i>-benzimidazol-2-yl]quinoline] dichloromethane monosolvate acetonitrile monosolvate]","","- C25 H21 Cl2 Co N7 O6 -","- C25 H21 Cl2 Co N7 O6 -","- C100 H84 Cl8 Co4 N28 O24 -","4","1","BG3176","Wu, Xiang-Wen; Zhang, Dong; Ma, Jian-Ping","Two different one-dimensional supramolecular chains formed from the reaction of 2-[1-(pyridin-4-ylmethyl)-1<i>H</i>-benzimidazol-2-yl]quinoline with two different precursors, Co(NO~3~)~2~ and CoCl~2~","Acta Crystallographica Section C","2014","70","5","522","527","10.1107/S2053229614009000","","","0.7107","MoKα","","0.0893","0.0728","","","0.1859","0.2006","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2019532","18.2319","0.0008","14.2937","0.0007","18.4926","0.0008","90","","90","","90","","4819.2","0.4","289.17","0.1","289.17","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-poly[[[dichloridocobalt(II)]-μ-2-[1-(pyridin-4-ylmethyl)-1<i>H</i>-benzimidazol-2-yl]quinoline] methanol disolvate]","","- C24 H24 Cl2 Co N4 O2 -","- C24 H24 Cl2 Co N4 O2 -","- C192 H192 Cl16 Co8 N32 O16 -","8","1","BG3176","Wu, Xiang-Wen; Zhang, Dong; Ma, Jian-Ping","Two different one-dimensional supramolecular chains formed from the reaction of 2-[1-(pyridin-4-ylmethyl)-1<i>H</i>-benzimidazol-2-yl]quinoline with two different precursors, Co(NO~3~)~2~ and CoCl~2~","Acta Crystallographica Section C","2014","70","5","522","527","10.1107/S2053229614009000","","","0.7107","MoKα","","0.0851","0.0535","","","0.1135","0.1301","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019533","16.158","0.015","6.986","0.006","6.81","0.006","90","","97.935","0.013","90","","761.4","1.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","5,6-Trimethylene-2-sulfanylidene-1<i>H</i>-pyrimidin-4-one","2-Sulfanylidene-1,2,3,4,6,7-hexahydro-5<i>H</i>-cyclopenta[<i>d</i>]pyrimidin-4-one","","- C7 H8 N2 O S -","- C7 H8 N2 O S -","- C28 H32 N8 O4 S4 -","4","0.5","SF3223","Zhou, Yu-Jun; Lv, Jing; Yu, Kai; Ma, Jian-Ping; Guo, Dian-Shun","Supramolecular structures in three thiouracil derivatives: 5,6-trimethylene-2-sulfanylidene-1,2-dihydropyrimidin-4(3<i>H</i>)-one, 2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4(3<i>H</i>)-one and methyl 2-{[2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4-yl]oxy}acetate","Acta Crystallographica Section C","2014","70","4","416","420","10.1107/S2053229614006111","","","0.71073","MoKα","","0.0637","0.042","","","0.0948","0.1046","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019534","25.381","0.007","5.8848","0.0018","19.738","0.006","90","","113.626","0.004","90","","2701","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2-(4-Fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4-one","2-[(4-Fluorobenzyl)sulfanyl]-3,4,6,7-tetrahydro-5<i>H</i>-cyclopenta[<i>d</i>]pyrimidin-4-one","","- C14 H13 F N2 O S -","- C14 H13 F N2 O S -","- C112 H104 F8 N16 O8 S8 -","8","1","SF3223","Zhou, Yu-Jun; Lv, Jing; Yu, Kai; Ma, Jian-Ping; Guo, Dian-Shun","Supramolecular structures in three thiouracil derivatives: 5,6-trimethylene-2-sulfanylidene-1,2-dihydropyrimidin-4(3<i>H</i>)-one, 2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4(3<i>H</i>)-one and methyl 2-{[2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4-yl]oxy}acetate","Acta Crystallographica Section C","2014","70","4","416","420","10.1107/S2053229614006111","","","0.71073","MoKα","","0.0643","0.0392","","","0.0967","0.1119","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019535","17.1673","0.0012","8.1187","0.0005","23.7393","0.0016","90","","102.045","0.007","90","","3235.8","0.4","99.95","0.13","99.95","0.13","","","","","","","","6","I 1 a 1","I -2ya","9","2-(4-Fluorobenzylsulfanyl)-4-(methoxycarboxymethoxy)-5,6-trimethylenepyrimidine","Methyl 2-({2-[(4-fluorobenzyl)sulfanyl]-6,7-dihydro-5<i>H</i>-cyclopenta[<i>d</i>]pyrimidin-4-yl}oxy)acetate","","- C17 H17 F N2 O3 S -","- C17 H17 F N2 O3 S -","- C136 H136 F8 N16 O24 S8 -","8","2","SF3223","Zhou, Yu-Jun; Lv, Jing; Yu, Kai; Ma, Jian-Ping; Guo, Dian-Shun","Supramolecular structures in three thiouracil derivatives: 5,6-trimethylene-2-sulfanylidene-1,2-dihydropyrimidin-4(3<i>H</i>)-one, 2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4(3<i>H</i>)-one and methyl 2-{[2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4-yl]oxy}acetate","Acta Crystallographica Section C","2014","70","4","416","420","10.1107/S2053229614006111","","","0.71073","MoKα","","0.0409","0.0364","","","0.0823","0.0864","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019536","9.2934","0.0006","10.968","0.001","11.7071","0.001","69.61","0.008","87.45","0.006","74.688","0.006","1077.34","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(8<i>RS</i>)-4-Amino-6-(4-chlorophenyl)-8-(2,4-dichlorothiazol-5-yl)-8,9-dihydro-7<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]diazepine <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C19 H18 Cl3 N7 O S -","- C19 H18 Cl3 N7 O S -","- C38 H36 Cl6 N14 O2 S2 -","2","1","SF3229","Ramírez, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(8<i>RS</i>)-4-Amino-6-(4-chlorophenyl)-8-(2,4-dichlorothiazol-5-yl)-8,9-dihydro-7<i>H</i>-pyrimido[4,5-<i>b</i>][1,4]diazepine <i>N</i>,<i>N</i>-dimethylformamide monosolvate: sheets built from N—H···N and C—H···O hydrogen bonds","Acta Crystallographica Section C","2014","70","6","536","540","10.1107/S2053229614008936","","","0.71073","MoKα","","0.075","0.042","","","0.0779","0.0898","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019537","5.8415","0.0001","7.6197","0.0001","14.2782","0.0002","76.286","0.001","81.118","0.001","88.699","0.001","609.944","0.016","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2,2'-Bi[benzo[<i>b</i>]thiophene]","","- C16 H10 S2 -","- C16 H10 S2 -","- C32 H20 S4 -","2","1","UK3096","Cheung, Eugene Y.; Pennington, Lewis D.; Bartberger, Michael D.; Staples, Richard J.","2,2'-Bi[benzo[<i>b</i>]thiophene]: an unexpected isolation of the benzo[<i>b</i>]thiophene dimer","Acta Crystallographica Section C","2014","70","6","547","549","10.1107/S2053229614009401","","","1.54178","CuKα","","0.039","0.0356","","","0.1043","0.1118","","","","","","0.927","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019538","8.7679","0.0003","10.0811","0.0003","11.8549","0.0015","78.4565","0.0014","72.7596","0.0013","67.3315","0.0014","919.07","0.12","296","","296","","","","","","","","","6","P -1","-P 1","2","","Octacarbonyl(imidazolidinyl-κ<i>C</i>^2^)di-μ~3~-sulfido-triiron(II)(2 <i>Fe</i>—<i>Fe</i>)","","- C11 H6 Fe3 N2 O8 S2 -","- C11 H6 Fe3 N2 O8 S2 -","- C22 H12 Fe6 N4 O16 S4 -","2","1","WQ3060","Yang, Wei; Fu, Qiang; Zhao, Jing; Cheng, Huan-Ren; Shi, Yao-Cheng","Two Fe~3~(μ~3~-S)~2~(CO)~8~ clusters with terminal N-heterocyclic carbenes","Acta Crystallographica Section C","2014","70","6","528","532","10.1107/S2053229614009310","","","0.71073","MoKα","","0.0305","0.0267","","","0.0769","0.08","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019539","8.9723","0.0012","11.1249","0.0011","12.0611","0.0016","108.477","0.005","107.608","0.002","96.455","0.008","1059.1","0.2","296","","296","","","","","","","","","6","P -1","-P 1","2","","Octacarbonyl(1-methylimidazo[1,5-<i>a</i>]pyridin-3-yl-κ<i>C</i>^3^)di-μ~3~-sulfido-triiron(II)(2 <i>Fe</i>—<i>Fe</i>)","","- C16 H8 Fe3 N2 O8 S2 -","- C16 H8 Fe3 N2 O8 S2 -","- C32 H16 Fe6 N4 O16 S4 -","2","1","WQ3060","Yang, Wei; Fu, Qiang; Zhao, Jing; Cheng, Huan-Ren; Shi, Yao-Cheng","Two Fe~3~(μ~3~-S)~2~(CO)~8~ clusters with terminal N-heterocyclic carbenes","Acta Crystallographica Section C","2014","70","6","528","532","10.1107/S2053229614009310","","","0.71073","MoKα","","0.0348","0.0284","","","0.0766","0.0807","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019540","4.0138","0.0004","4.0138","0.0004","19.878","0.002","90","","90","","120","","277.34","0.05","304","","304","","","","","","","","","3","R -3 m :H","-R 3 2""","166","Na Gd S2","Sodium gadolinium sulfide","","- Gd Na S2 -","- Gd Na S2 -","- Gd3 Na3 S6 -","3","0.0833333","FA3334","Fábry, Jan; Havlák, Lubomír; Kučeráková, Monika; Dušek, Michal","Redetermination of NaGdS~2~, NaLuS~2~ and NaYS~2~","Acta Crystallographica Section C","2014","70","6","533","535","10.1107/S2053229614009607","","","0.7107","MoKα","","0.0208","0.0201","","","0.0472","0.048","","","","","","1.35","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019541","3.8909","0.0004","3.8909","0.0004","19.85","0.003","90","","90","","120","","260.25","0.05","299.9","0.2","299.9","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sodium lutetium sulfide","","- Lu Na S2 -","- Lu Na S2 -","- Lu3 Na3 S6 -","3","0.0833333","FA3334","Fábry, Jan; Havlák, Lubomír; Kučeráková, Monika; Dušek, Michal","Redetermination of NaGdS~2~, NaLuS~2~ and NaYS~2~","Acta Crystallographica Section C","2014","70","6","533","535","10.1107/S2053229614009607","","","0.7107","MoKα","","0.0306","0.0306","","","0.0662","0.0662","","","","","","1.83","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019542","3.9604","0.0012","3.9604","0.0012","19.867","0.008","90","","90","","120","","269.86","0.16","301.5","0.3","301.5","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sodium yttrium sulfide","","- Na S2 Y -","- Na S2 Y -","- Na3 S6 Y3 -","3","0.0833333","FA3334","Fábry, Jan; Havlák, Lubomír; Kučeráková, Monika; Dušek, Michal","Redetermination of NaGdS~2~, NaLuS~2~ and NaYS~2~","Acta Crystallographica Section C","2014","70","6","533","535","10.1107/S2053229614009607","","","0.7107","MoKα","","0.0331","0.031","","","0.067","0.0674","","","","","","1.78","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019543","18.233","0.003","10.4511","0.0014","20.898","0.003","90","","93.081","0.002","90","","3976.5","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[aqua{bis[(pyridin-2-yl)methyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}nickel(II)]-μ-2-(2-carboxylatophenyl)aceteto-κ^2^<i>O</i>:<i>O</i>']","","- C21 H21 N3 Ni O5 -","- C21 H21 N3 Ni O5 -","- C168 H168 N24 Ni8 O40 -","8","1","","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Two nickel(II) bis[(pyridin-2-yl)methyl]amine complexes with homophthalic and benzene-1,2,4,5-tetracarboxylic acids","Acta Crystallographica Section C","2014","70","6","541","546","10.1107/S2053229614008134","","","0.71073","MoKα","","0.0622","0.0502","","","0.1193","0.1252","","","","","","1.434","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019544","9.8485","0.0006","10.7208","0.0006","19.4924","0.0011","85.008","0.001","82.823","0.001","65.293","0.0008","1853.65","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(μ-Benzene-1,2,4,5-tetracarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^4^,<i>O</i>^5^)bis(aqua{bis[(pyridin-2-yl)methyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}nickel(II)) bis{triaquabis[(pyridin-2-yl)methyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}nickel(II)} benzene-1,2,4,5-tetracarboxylate hexahydrate","","- C68 H84 N12 Ni4 O30 -","- C68 H84 N12 Ni4 O30 -","- C68 H84 N12 Ni4 O30 -","1","0.5","","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Two nickel(II) bis[(pyridin-2-yl)methyl]amine complexes with homophthalic and benzene-1,2,4,5-tetracarboxylic acids","Acta Crystallographica Section C","2014","70","6","541","546","10.1107/S2053229614008134","","","0.71073","MoKα","","0.0365","0.032","","","0.0836","0.0865","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019545","7.28","0.003","22.171","0.01","24.289","0.011","90","","90","","90","","3920","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^;κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-bis[(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bismuth(III)] tetrahydrate","","- C19 H15 Bi N6 O6 -","- C19 H15 Bi N6 O6 -","- C152 H120 Bi8 N48 O48 -","8","1","KU3130","Zhang, Wei; Feng, Yu-Quan","A novel dinuclear bismuth(III) coordination compound: bis(μ-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^;κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-bis[(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bismuth(III)] tetrahydrate","Acta Crystallographica Section C","2014","70","6","562","565","10.1107/S2053229614009863","","","0.71073","MoKα","","0.0468","0.0282","","","0.0595","0.068","","","","","","1.006","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2019546","9.285","0.004","9.818","0.004","13.4","0.006","98.707","0.007","103.08","0.003","109.593","0.004","1086","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-[2-(2,6-Dimethylsulfanyl-9<i>H</i>-purin-9-yl)-2-methylidenepropyl]-4,6-bis(methylsulfanyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","","- C18 H20 N8 S4 -","- C18 H20 N8 S4 -","- C36 H40 N16 S8 -","2","1","EG3154","Avasthi, Kamlakar; Shukla, Lakshmi; Kant, Ruchir; Ravikumar, Krishnan","Folded conformations due to arene interactions in dissymmetric and symmetric butylidene-linker models based on pyrazolo[3,4-<i>d</i>]pyrimidine, purine and 7-deazapurine","Acta Crystallographica Section C","2014","70","6","555","561","10.1107/S2053229614009449","","","0.71075","MoKα","","0.0507","0.0352","","","0.0914","0.1082","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019547","9.859","0.002","13.979","0.004","29.331","0.008","90","","90","","90","","4042.4","1.8","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7,7'-(2-Methylidenepropane-1,3-diyl)bis[3-methyl-2-methylsulfanyl-3<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4(7<i>H</i>)-one]","","- C20 H22 N6 O2 S2 -","- C20 H22 N6 O2 S2 -","- C160 H176 N48 O16 S16 -","8","1","EG3154","Avasthi, Kamlakar; Shukla, Lakshmi; Kant, Ruchir; Ravikumar, Krishnan","Folded conformations due to arene interactions in dissymmetric and symmetric butylidene-linker models based on pyrazolo[3,4-<i>d</i>]pyrimidine, purine and 7-deazapurine","Acta Crystallographica Section C","2014","70","6","555","561","10.1107/S2053229614009449","","","0.71075","MoKα","","0.0442","0.041","","","0.0933","0.0953","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019548","9.5436","0.0007","11.5329","0.0008","21.0042","0.0013","90","","107.943","0.003","90","","2199.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-[2-(4,6-Dimethylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-1-yl)-2-\ methylidenepropyl]-3-methyl-2-methylsulfanyl-3<i>H</i>-pyrrolo[2,3-<i>d</i>]\ pyrimidin-4(7<i>H</i>)-one","","- C19 H21 N7 O S3 -","- C19 H21 N7 O S3 -","- C76 H84 N28 O4 S12 -","4","1","EG3154","Avasthi, Kamlakar; Shukla, Lakshmi; Kant, Ruchir; Ravikumar, Krishnan","Folded conformations due to arene interactions in dissymmetric and symmetric butylidene-linker models based on pyrazolo[3,4-<i>d</i>]pyrimidine, purine and 7-deazapurine","Acta Crystallographica Section C","2014","70","6","555","561","10.1107/S2053229614009449","","","0.71073","MoKα","","0.0424","0.0367","","","0.1014","0.1062","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019549","8.5611","0.0006","8.5611","0.0006","30.227","0.002","90","","90","","90","","2215.4","0.3","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Pentathallium dimercury pentabromide tetraiodide","","- Br5 Hg2 I4 Tl5 -","- Br5 Hg2 I4 Tl5 -","- Br20 Hg8 I16 Tl20 -","4","0.125","","Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Szyrej, Malgorzata; Levkovets, Sergii; Parasyuk, Oleh","A new semiconducting quaternary mixed halogenide: pentathallium dimercury pentabromide tetraiodide, Tl~5~Hg~2~Br~5~I~4~","Acta Crystallographica Section C","2014","70","6","","","10.1107/S2053229614009966","","","0.71073","MoKα","","0.0289","0.0271","","","0.0629","0.0637","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019550","7.1967","0.0002","15.1383","0.0004","11.9441","0.0003","90","","102.786","0.003","90","","1268.99","0.06","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>S</i>-(2,3,4,6-Tetra-<i>O</i>-acetyl-α-<i>D</i>-glucopyranosyl)-2,3-\ dichlorophenylacetothiohydroxymate","","- C21 H23 Cl2 N O10 S -","- C21 H23 Cl2 N O10 S -","- C42 H46 Cl4 N2 O20 S2 -","2","1","","Vo, Quan V.; Trenerry, Craige; Rochfort, Simone; White, Jonathan; Hughes, Andrew B.","Preparation and X-ray analysis of potassium (2,3-dichlorophenyl)glucosinolate","Acta Crystallographica Section C","2014","70","6","588","594","10.1107/S2053229614009115","","","0.7107","MoKα","","0.036","0.0312","","","0.0665","0.0692","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019551","8.0043","0.0001","15.5208","0.0004","19.4586","0.0004","90","","90","","90","","2417.4","0.09","115","0.1","115","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Potassium 2,3-dichlorophenylglucosinolate‒ethanol‒methanol (1/1/1)","","- C16 H24 Cl2 K N O11 S2 -","- C16 H24 Cl2 K N O11 S2 -","- C64 H96 Cl8 K4 N4 O44 S8 -","4","1","","Vo, Quan V.; Trenerry, Craige; Rochfort, Simone; White, Jonathan; Hughes, Andrew B.","Preparation and X-ray analysis of potassium (2,3-dichlorophenyl)glucosinolate","Acta Crystallographica Section C","2014","70","6","588","594","10.1107/S2053229614009115","","","1.5418","CuKα","","0.0573","0.0536","","","0.1413","0.1458","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019552","14.0805","0.0003","7.9682","0.0002","21.189","0.0005","90","","128.989","0.002","90","","1847.82","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraethyl-4,4'-(diazenediyl)dianiline","","- C20 H28 N4 -","- C20 H28 N4 -","- C80 H112 N16 -","4","1","SK3541","Gajda, Katarzyna; Zarychta, Bartosz; Daszkiewicz, Zdzisław; Domański, Andrzej A.; Ejsmont, Krzysztof","Substituent effects in <i>trans</i>-<i>p</i>,<i>p</i>'-disubstituted azobenzenes: X-ray structures at 100K and DFT-calculated structures","Acta Crystallographica Section C","2014","70","6","575","579","10.1107/S2053229614009942","","","0.71073","MoKα","","0.0612","0.0435","","","0.1192","0.1257","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019553","14.7061","0.0011","4.5005","0.0004","11.5889","0.0008","90","","95.033","0.006","90","","764.05","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 4,4'-(diazenediyl)dibenzoate","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C36 H36 N4 O8 -","2","0.5","SK3541","Gajda, Katarzyna; Zarychta, Bartosz; Daszkiewicz, Zdzisław; Domański, Andrzej A.; Ejsmont, Krzysztof","Substituent effects in <i>trans</i>-<i>p</i>,<i>p</i>'-disubstituted azobenzenes: X-ray structures at 100K and DFT-calculated structures","Acta Crystallographica Section C","2014","70","6","575","579","10.1107/S2053229614009942","","","0.71073","MoKα","","0.071","0.0415","","","0.1025","0.1166","","","","","","0.945","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019554","8.486","0.003","9.078","0.003","19.875","0.007","100.629","0.005","91.549","0.005","113.674","0.005","1369.5","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Caesium bis{[2-(3-ethoxy-2-oxidobenzylidene)hydrazin-1-ylidene](methylamino)methanethiolato-κ^2^<i>O</i>^2^,<i>N</i>^1^,<i>S</i>}ferrate(III) methanol monosolvate","","- C23 H30 Cs Fe N6 O5 S2 -","- C23 H30 Cs Fe N6 O5 S2 -","- C46 H60 Cs2 Fe2 N12 O10 S4 -","2","1","SF3227","Powell, Robyn E.; Schwalbe, Carl H.; Tizzard, Graham J.; van Koningsbruggen, Petra J.","Fe^III^ in a low-spin state in caesium bis[3-ethoxysalicylaldehyde 4-methylthiosemicarbazonato(2‒)-κ^3^<i>O</i>^2^,<i>N</i>^1^,<i>S</i>]ferrate(III) methanol monosolvate","Acta Crystallographica Section C","2014","70","6","595","598","10.1107/S2053229614008158","","","0.71075","MoKα","","0.0761","0.0522","","","0.1135","0.1216","","","","","","0.915","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019555","5.5708","0.0003","11.6873","0.0006","12.149","0.0007","70.99","0.002","78.911","0.002","84.627","0.002","733.48","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","fluconazole","2-(2,4-Difluorophenyl)-1,3-bis(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-ol monohydrate","","- C13 H14 F2 N6 O2 -","- C13 H14 F2 N6 O2 -","- C26 H28 F4 N12 O4 -","2","1","GZ3261","Orben, Claudia M.; Dittrich, Birger","Hydrogen ADPs with Cu <i>K</i>α data? Invariom and Hirshfeld atom modelling of fluconazole","Acta Crystallographica Section C","2014","70","6","580","583","10.1107/S2053229614010195","","","1.54178","CuKα","","0.02","0.02","","","","0.027","","","","","","2.946","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019556","5.5708","0.0003","11.6873","0.0006","12.149","0.0007","70.99","0.002","78.911","0.002","84.627","0.002","733.48","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","fluconazole","2-(2,4-Difluorophenyl)-1,3-bis(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-ol monohydrate","","- C13 H14 F2 N6 O2 -","- C13 H14 F2 N6 O2 -","- C26 H28 F4 N12 O4 -","2","1","GZ3261","Orben, Claudia M.; Dittrich, Birger","Hydrogen ADPs with Cu <i>K</i>α data? Invariom and Hirshfeld atom modelling of fluconazole","Acta Crystallographica Section C","2014","70","6","580","583","10.1107/S2053229614010195","","","1.54178","CuKα","","0.0214","0.0214","","","","0.0272","","","","","","2.9073","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019557","5.5708","0.0003","11.6873","0.0006","12.149","0.0007","70.99","0.002","78.911","0.002","84.627","0.002","733.48","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","fluconazole","2-(2,4-Difluorophenyl)-1,3-bis(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-ol monohydrate","","- C13 H14 F2 N6 O2 -","- C13 H14 F2 N6 O2 -","- C26 H28 F4 N12 O4 -","2","1","GZ3261","Orben, Claudia M.; Dittrich, Birger","Hydrogen ADPs with Cu <i>K</i>α data? Invariom and Hirshfeld atom modelling of fluconazole","Acta Crystallographica Section C","2014","70","6","580","583","10.1107/S2053229614010195","","","1.54178","CuKα","","0.0194","0.0194","","","","0.0242","","","","","","2.6353","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019558","5.5708","0.0003","11.6873","0.0006","12.149","0.0007","70.99","0.002","78.911","0.002","84.627","0.002","733.48","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","fluconazole","2-(2,4-Difluorophenyl)-1,3-bis(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-ol monohydrate","","- C13 H14 F2 N6 O2 -","- C13 H14 F2 N6 O2 -","- C26 H28 F4 N12 O4 -","2","1","GZ3261","Orben, Claudia M.; Dittrich, Birger","Hydrogen ADPs with Cu <i>K</i>α data? Invariom and Hirshfeld atom modelling of fluconazole","Acta Crystallographica Section C","2014","70","6","580","583","10.1107/S2053229614010195","","","1.54178","CuKα","","0.045","0.045","","","","0.069","","","","","","7.403","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019559","5.5708","0.0003","11.6873","0.0006","12.149","0.0007","70.99","0.002","78.911","0.002","84.627","0.002","733.48","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","fluconazole","2-(2,4-Difluorophenyl)-1,3-bis(1<i>H</i>-1,2,4-triazol-1-yl)propan-2-ol monohydrate","","- C13 H14 F2 N6 O2 -","- C13 H14 F2 N6 O2 -","- C26 H28 F4 N12 O4 -","2","1","GZ3261","Orben, Claudia M.; Dittrich, Birger","Hydrogen ADPs with Cu <i>K</i>α data? Invariom and Hirshfeld atom modelling of fluconazole","Acta Crystallographica Section C","2014","70","6","580","583","10.1107/S2053229614010195","","","1.54178","CuKα","","0.032","0.032","","","","0.047","","","","","","5.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019560","10.82","0.006","10.69","0.006","22.803","0.012","90","","94.628","0.01","90","","2629","2","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Poly[hexaaquatetrakis(μ~5~-pyridine-2,6-dicarboxylato)bis(μ~4~-pyridine-2,6-dicarboxylato)(μ~7~-sulfato)heptastrontium(II)]","","- C42 H30 N6 O34 S Sr7 -","- C42 H30 N6 O34 S Sr7 -","- C84 H60 N12 O68 S2 Sr14 -","2","0.5","WQ3061","Zhang, Wei; Qi, Shu-Guang; Feng, Yu-Quan","A novel alkaline earth strontium(II) coordination polymer: poly[hexaaquatetrakis(μ~5~-pyridine-2,6-dicarboxylato)bis(μ~4~-pyridine-2,6-dicarboxylato)(μ~7~-sulfato)heptastrontium(II)]","Acta Crystallographica Section C","2014","70","6","584","587","10.1107/S205322961401002X","","","0.71073","MoKα","","0.0904","0.0492","","","0.0911","0.0986","","","","","","1.009","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019561","19.116","0.004","11.968","0.002","11.139","0.002","90","","107.7","0.03","90","","2427.7","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[μ~3~-benzotriazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^-copper(I)]","","- C6 H4 Cu N3 -","- C6 H4 Cu N3 -","- C96 H64 Cu16 N48 -","16","2","FN3169","Liu, Jian-Jun; Li, Zuo-Yin; Yuan, Xiong; Wang, Yao; Huang, Chang-Cang","A copper(I) coordination polymer incorporation the corrosion inhibitor 1<i>H</i>-benzotriazole: poly[μ~3~-benzotriazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^-copper(I)]","Acta Crystallographica Section C","2014","70","6","599","602","10.1107/S2053229614010390","","","0.71073","MoKα","","0.0906","0.0436","","","0.079","0.0918","","","","","","1.047","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019562","6.8582","0.0002","7.6183","0.0003","35.6746","0.0015","90","","92.778","0.003","90","","1861.73","0.12","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","caesium 4-fluorophenoxyacetate","Poly[[μ~5~-(4-fluorophenoxy)acetato][μ~4~-(4-fluorophenoxy)acetato]dicaesium]","","- C8 H6 Cs F O3 -","- C8 H6 Cs F O3 -","- C64 H48 Cs8 F8 O24 -","8","2","SF3232","Smith, Graham; Lynch, Daniel E.","Two-dimensional coordination polymeric structures in caesium complexes with ring-substituted phenoxyacetic acids","Acta Crystallographica Section C","2014","70","6","606","612","10.1107/S2053229614010596","","","0.71073","MoKα","","0.0659","0.0595","","","0.1162","0.1187","","","","","","1.252","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2019563","18.1357","0.0007","8.8722","0.0004","7.0958","0.0003","90","","94.158","0.004","90","","1138.73","0.08","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","caesium (3-chloro-2-methylphenoxy)acetate monohydrate","Poly[aqua[μ~5~-(3-chloro-2-methylphenoxy)acetato]caesium]","","- C9 H10 Cl Cs O4 -","- C9 H10 Cl Cs O4 -","- C36 H40 Cl4 Cs4 O16 -","4","1","SF3232","Smith, Graham; Lynch, Daniel E.","Two-dimensional coordination polymeric structures in caesium complexes with ring-substituted phenoxyacetic acids","Acta Crystallographica Section C","2014","70","6","606","612","10.1107/S2053229614010596","","","0.71073","MoKα","","0.0235","0.0203","","","0.046","0.0475","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019564","4.8756","0.0004","7.1876","0.0004","15.3045","0.001","96.223","0.005","94.561","0.006","106.45","0.006","507.92","0.06","200","1","200","1","","","","","","","","5","P -1","-P 1","2","caesium (2,4-dichlorophenoxy)acetate-(2,4-dichlorophenoxy)acetic acid","Poly[[μ~7~-(2,4-dichlorophenoxy)acetato][(2,4-dichlorphenoxy)acetic acid]caesium]","","- C16 H11 Cl4 Cs O6 -","- C16 H11 Cl4 Cs O6 -","- C16 H11 Cl4 Cs O6 -","1","0.5","SF3232","Smith, Graham; Lynch, Daniel E.","Two-dimensional coordination polymeric structures in caesium complexes with ring-substituted phenoxyacetic acids","Acta Crystallographica Section C","2014","70","6","606","612","10.1107/S2053229614010596","","","0.71073","MoKα","","0.0404","0.0375","","","0.0802","0.082","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019565","10.3733","0.0005","9.1936","0.0004","18.4182","0.0008","90","","104.469","0.001","90","","1700.8","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[diaquabis(μ~3~-2-carboxypyridine-2-carboxylato)bis(μ~4~-pyridine-2,6-dicarboxylato)tristrontium(II)] dihydrate]","","- C28 H22 N4 O20 Sr3 -","- C28 H22 N4 O20 Sr3 -","- C56 H44 N8 O40 Sr6 -","2","0.5","OV3048","Soleimannejad, Janet; Derikvand, Zohreh; Koleiae, Farzaneh","A new three-dimensional coordination polymer of Sr^II^ based on dipicolinic acid, with different coordination environments for Sr^II^","Acta Crystallographica Section C","2014","70","6","613","616","10.1107/S2053229614009668","","","0.71073","MoKα","","0.0256","0.0227","","","0.056","0.0571","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2019566","15.581","0.007","7.857","0.002","16.809","0.008","90","","113.2","0.03","90","","1891.4","1.4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[bis(3<i>H</i>-imidazol-1-ium) [[tetracyanido-κ^4^<i>C</i>-cobalt(III)]-μ-cyanido-κ^2^<i>C</i>:<i>N</i>-[diaqualithium(I)]-κ^2^<i>N</i>:<i>C</i>]","","- C12 H14 Co Li N10 O2 -","- C12 H14 Co Li N10 O2 -","- C48 H56 Co4 Li4 N40 O8 -","4","0.5","WQ3062","Shao, Xiu-Dan; Yu, Chun-Hua","An organic‒inorganic hybrid compound containing imidazolium cations and a one-dimensional lithium hexacyanidocobaltate-based anionic framework","Acta Crystallographica Section C","2014","70","6","","","10.1107/S2053229614011541","","","0.71073","MoKα","","0.0349","0.0292","","","0.0699","0.0727","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019567","29.768","0.004","15.6022","0.0012","11.8465","0.0015","90","","93.247","0.011","90","","5493.2","1.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Octyl 1-(5-(<i>tert</i>-butyl)-1<i>H</i>-pyrazol-3-yl)-2- (4-chlorophenyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate","","- C29 H35 Cl N4 O2 -","- C29 H35 Cl N4 O2 -","- C232 H280 Cl8 N32 O16 -","8","1","FG3321","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Octyl 1-(5-<i>tert</i>-butyl-1<i>H</i>-pyrazol-3-yl)-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate: complex sheets built from N—H···N, C—H···N and C—H···O hydrogen bonds","Acta Crystallographica Section C","2014","70","6","617","621","10.1107/S2053229614011760","","","0.71073","MoKα","","0.1058","0.0529","","","0.0963","0.1157","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019568","8.1979","0.0006","14.0424","0.0016","14.1697","0.001","70.779","0.008","80.031","0.006","79.353","0.008","1502.6","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis[tris(1,2-benzoisothiazol-3-thionato-1,1-dioxide- κ<i>N</i>,κ<i>S</i>)(ethanol)bismuth(III)] ethanol hemisolvate","","- C47 H39 Bi2 N6 O14.5 S12 -","- C47 H39 Bi2 N6 O14.5 S12 -","- C47 H39 Bi2 N6 O14.5 S12 -","1","0.5","SK3545","Dennehy, Mariana; Ferullo, Ricardo M.; Freire, Eleonora; Baggio, Ricardo","An ethanol-solvated centrosymmetric dimer of bismuth(III) and thiosaccharinate resulting from `semicoordination' contacts","Acta Crystallographica Section C","2014","70","6","627","631","10.1107/S2053229614010869","","","0.71073","MoKα","","0.0951","0.0679","","","0.1741","0.1888","","","","","","1.229","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019569","4.0596","0.0003","4.0596","0.0003","8.4011","0.0017","90","","90","","120","","119.9","0.03","293","2","293","2","","","","","","","","4","P -6 m 2","P -6 2","187","","Dicerium di(lithium/nickel) disilicide","","- Ce2 Li0.39 Ni1.61 Si2 -","- Ce2 Li0.394 Ni1.606 Si2 -","- Ce2 Li0.394 Ni1.606 Si2 -","1","0.0833333","","Stetskiv, Andrij; Rozdzynska-Kielbik, Beata; Pavlyuk, Volodymyr","The Ce~2~Li~0.39~Ni~1.61~Si~2~ structure as a new derivative of the AlB~2~ family","Acta Crystallographica Section C","2014","70","6","622","626","10.1107/S2053229614011589","","","0.71073","MoKα","","0.031","0.0254","","","0.0933","0.0989","","","","","","1.302","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019570","10.9149","0.0004","10.9149","0.0004","15.4297","0.0006","90","","90","","120","","1591.94","0.1","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","Bis(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>O</i>^2^,<i>O</i>^4^,<i>O</i>^6^)potassium(I) iodide","","- C12 H30 I K N6 O6 -","- C12 H30 I K N6 O6 -","- C36 H90 I3 K3 N18 O18 -","3","0.166667","CU3054","Neis, Christian; Kradolfer, Thomas; Hegetschweiler, Kaspar","Formation of lithium, sodium and potassium complexes with 1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol (taci)","Acta Crystallographica Section C","2014","70","6","632","637","10.1107/S2053229614011036","","","0.71073","MoKα","","0.011","0.011","","","0.0304","0.0304","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019571","7.1327","0.0018","9.309","0.002","9.378","0.002","68.739","0.008","76.082","0.01","77.494","0.008","557.5","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","(1,3-Diamino-5-azaniumyl-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>O</i>^2^,<i>O</i>^4^,<i>O</i>^6^)(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>O</i>^2^,<i>O</i>^4^,<i>O</i>^6^)lithium(I) diiodide dihydrate","","- C12 H35 I2 Li N6 O8 -","- C12 H35 I2 Li N6 O8 -","- C12 H35 I2 Li N6 O8 -","1","0.5","CU3054","Neis, Christian; Kradolfer, Thomas; Hegetschweiler, Kaspar","Formation of lithium, sodium and potassium complexes with 1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol (taci)","Acta Crystallographica Section C","2014","70","6","632","637","10.1107/S2053229614011036","","","0.71073","MoKα","","0.0159","0.0158","","","0.042","0.0421","","","","","","1.21","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019572","10.9637","0.0006","10.9637","0.0006","14.3641","0.0008","90","","90","","120","","1495.28","0.14","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","Bis(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>O</i>^2^,<i>O</i>^4^,<i>O</i>^6^)sodium(I) iodide","","- C12 H30 I N6 Na O6 -","- C12 H30 I N6 Na O6 -","- C36 H90 I3 N18 Na3 O18 -","3","0.166667","CU3054","Neis, Christian; Kradolfer, Thomas; Hegetschweiler, Kaspar","Formation of lithium, sodium and potassium complexes with 1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol (taci)","Acta Crystallographica Section C","2014","70","6","632","637","10.1107/S2053229614011036","","","0.71073","MoKα","","0.0117","0.0117","","","0.034","0.034","","","","","","1.218","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019573","9.3618","0.0005","30.6516","0.0014","12.5952","0.0008","90","","90.683","0.005","90","","3614","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide)","","- C44 H24 Fe N12 -","- C44 H24 Fe N12 -","- C176 H96 Fe4 N48 -","4","1","EM3067","Potočňák, Ivan; Váhovská, Lucia; Herich, Peter","Low-dimensional compounds containing cyanide groups. XXV. Synthesis, spectroscopic properties and crystal structures of two ionic iron(II) complexes with tricyanomethanide: tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) and tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) sesquihydrate","Acta Crystallographica Section C","2014","70","5","432","436","10.1107/S2053229614006512","","","0.71069","MoKα","","0.0477","0.0308","","","0.0628","0.0654","","","","","","0.976","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019574","15.4137","0.0006","15.4137","0.0006","27.2718","0.0014","90","","90","","120","","5611.2","0.4","193","2","193","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","Tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) sesquihydrate","","- C38 H27 Fe N12 O1.5 -","- C38 H27 Fe N12 O1.5 -","- C228 H162 Fe6 N72 O9 -","6","0.333333","EM3067","Potočňák, Ivan; Váhovská, Lucia; Herich, Peter","Low-dimensional compounds containing cyanide groups. XXV. Synthesis, spectroscopic properties and crystal structures of two ionic iron(II) complexes with tricyanomethanide: tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) and tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(tricyanomethanide) sesquihydrate","Acta Crystallographica Section C","2014","70","5","432","436","10.1107/S2053229614006512","","","0.71069","MoKα","","0.0293","0.0266","","","0.0606","0.0613","","","","","","1.014","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019575","12.6969","0.0005","19.4915","0.0006","13.2609","0.0004","90","","113.777","0.004","90","","3003.3","0.2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis-μ-methanol-κ^4^<i>O</i>:<i>O</i>-bis{[hydrotris(3-phenyl-2-sulfanylidene-2,3-dihydro-1<i>H</i>-1,3-imidazol-1-yl)borato-κ^3^<i>H</i>,<i>S</i>,<i>S</i>'](methanol-κ<i>O</i>)sodium(I)}","","- C58 H60 B2 N12 Na2 O4 S6 -","- C58 H60 B2 N12 Na2 O4 S6 -","- C116 H120 B4 N24 Na4 O8 S12 -","2","0.5","OV3047","Rajesekharan-Nair, Rajeev; Lutta, Samuel T.; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.","Soft scorpionate coordination at alkali metals","Acta Crystallographica Section C","2014","70","5","421","427","10.1107/S2053229614005737","","","0.71073","MoKα","","0.052","0.0363","","","0.0757","0.0813","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019576","53.903","0.002","14.4391","0.0004","22.9832","0.0004","90","","96.256","0.003","90","","17781.5","0.9","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis-μ-methanol-κ^4^<i>O</i>:<i>O</i>-bis{[hydrotris(3-isopropyl-2-sulfanylidene-2,3-dihydro-1<i>H</i>-1,3-imidazol-1-yl)borato-κ^3^<i>H</i>,<i>S</i>,<i>S</i>'](methanol-κ<i>O</i>)sodium(I)}‒diethyl ether‒methanol (1/0.3333/0.0833)","","- C41.3333 H75.3333 B2 N12 Na2 O4.42 S6 -","- C41.42 H75.68 B2 N12 Na2 O4.41667 S6 -","- C497.04 H908.16 B24 N144 Na24 O53 S72 -","12","1.5","OV3047","Rajesekharan-Nair, Rajeev; Lutta, Samuel T.; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.","Soft scorpionate coordination at alkali metals","Acta Crystallographica Section C","2014","70","5","421","427","10.1107/S2053229614005737","","","0.71073","MoKα","","0.087","0.0621","","","0.1586","0.1762","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019577","7.9707","0.0003","10.0754","0.0004","11.4672","0.0005","79.923","0.004","82.774","0.004","71.167","0.004","855.78","0.06","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Poly[[μ-hydrotris(3-methyl-2-sulfanylidene-2,3-dihydro-1<i>H</i>-1,3-imidazol-1-yl)borato]sodium(I)]","","- C12 H16 B N6 Na S3 -","- C12 H16 B N6 Na S3 -","- C24 H32 B2 N12 Na2 S6 -","2","1","OV3047","Rajesekharan-Nair, Rajeev; Lutta, Samuel T.; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.","Soft scorpionate coordination at alkali metals","Acta Crystallographica Section C","2014","70","5","421","427","10.1107/S2053229614005737","","","0.71073","MoKα","","0.0762","0.0485","","","0.1025","0.1131","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019578","12.3557","0.001","11.3518","0.0009","13.6847","0.0011","90","","107.283","0.001","90","","1832.7","0.3","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[[[diaquabis[2-(4-carboxyphenoxy)benzoato-κ<i>O</i>^1^]cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]","","- C38 H34 Co N2 O14 -","- C38 H34 Co N2 O14 -","- C76 H68 Co2 N4 O28 -","2","0.5","","Tang, Long; Fu, Feng; Wang, Ji-Jiang; Liu, Qi-Rui; Zhao, Hang-Hang","A one-dimensional cobalt(II) coordination polymer based on 2,4'-oxydibenzoic acid: poly[[[diaquabis[2-(4-carboxyphenoxy)benzoato-κ<i>O</i>^1^]cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]","Acta Crystallographica Section C","2014","70","7","654","658","10.1107/S2053229614012066","","","0.71073","MoKα","","0.035","0.0307","","","0.0812","0.0852","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019579","13.1298","0.0006","4.6502","0.0001","16.957","0.002","90","","90.977","0.009","90","","1035.18","0.13","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(2-bromo-4-chloro-6-{[(2-hydroxyethyl)imino]methyl}phenolato-κ^2^<i>N</i>,<i>O</i>)copper(II)","","- C18 H16 Br2 Cl2 Cu N2 O4 -","- C18 H16 Br2 Cl2 Cu N2 O4 -","- C36 H32 Br4 Cl4 Cu2 N4 O8 -","2","0.5","FM3019","Zabierowski, Piotr; Szklarzewicz, Janusz; Nitek, Wojciech","Disentangling steric and electronic factors in monomeric bis(2-bromo-4-chloro-6-{[(2-hydroxyethyl)imino]methyl}phenolato-κ^2^<i>N</i>,<i>O</i>)copper(II)","Acta Crystallographica Section C","2014","70","7","659","661","10.1107/S2053229614012273","","","1.5418","CuKα","","0.0329","0.0285","","","","0.0764","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019580","10.5588","0.001","11.7643","0.0011","17.2263","0.0016","90","","99.929","0.002","90","","2107.7","0.3","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(Acetato-κ^2^<i>O</i>,<i>O</i>')(1,4,7,10-tetramethyl-1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)nickel(II) hexafluoridophosphate","","- C14 H31 F6 N4 Ni O2 P -","- C14 H31 F6 N4 Ni O2 P -","- C56 H124 F24 N16 Ni4 O8 P4 -","4","1","SF3230","Wallick, Jessica L.; Riordan, Charles G.; Yap, Glenn P. A.","Acetate and acetamide complexes of [Ni(Me~4~[12]aneN~4~)]PF~6~: a tale of two ligands","Acta Crystallographica Section C","2014","70","7","640","643","10.1107/S2053229614011620","","","0.71073","MoKα","","0.0507","0.0414","","","0.0851","0.0911","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019581","8.0392","0.001","8.6289","0.001","15.8882","0.0019","78.883","0.002","89.641","0.002","77.826","0.002","1056.5","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","(Acetamidato-κ^2^<i>O</i>,<i>O</i>')(1,4,7,10-tetramethyl-1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)nickel(II) hexafluoridophosphate","","- C14 H32 F6 N5 Ni O P -","- C14 H32 F6 N5 Ni O P -","- C28 H64 F12 N10 Ni2 O2 P2 -","2","1","SF3230","Wallick, Jessica L.; Riordan, Charles G.; Yap, Glenn P. A.","Acetate and acetamide complexes of [Ni(Me~4~[12]aneN~4~)]PF~6~: a tale of two ligands","Acta Crystallographica Section C","2014","70","7","640","643","10.1107/S2053229614011620","","","0.71073","MoKα","","0.0617","0.0404","","","0.0813","0.0899","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019582","20.508","0.004","10.899","0.002","8.2818","0.0017","90","","109.9","0.03","90","","1740.6","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~4~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato]dimethanollead(II)]","","- C16 H16 N2 O6 Pb -","- C16 H16 N2 O6 Pb -","- C64 H64 N8 O24 Pb4 -","4","0.5","YP3071","Liu, Lei-Lei; Yu, Cai-Xia; Hua, Lei; Lin, Lu","A three-dimensional Pb^II^ coordination framework: poly[[μ~4~-(<i>E</i>)-2,2'-(diazene-1,2-diyl)dibenzoato]dimethanollead(II)]","Acta Crystallographica Section C","2014","70","7","650","653","10.1107/S2053229614012534","","","0.71073","MoKα","","0.0318","0.0277","","","0.0638","0.0665","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019583","10.1176","0.0006","20.6058","0.001","16.058","0.0009","90","","95.234","0.005","90","","3333.8","0.3","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrachlorido-1κ<i>Cl</i>;2κ^3^<i>Cl</i>-(2,2,7,7,12,12,17,17-octamethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^3,6^.1^8,11^.1^13,16^]tetracosane-1κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')-μ~2~-oxido-diiron(III)","","- C28 H52 Cl4 Fe2 N4 O -","- C28 H52 Cl4 Fe2 N4 O -","- C112 H208 Cl16 Fe8 N16 O4 -","4","1","BG3174","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","Phase-transformation-induced twinning of an iron(III) calix[4]pyrrolidine complex","Acta Crystallographica Section C","2014","70","7","644","649","10.1107/S2053229614012157","","","0.71073","MoKα","","0.0912","0.0523","","","0.0861","0.0951","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019584","10.1319","0.0009","20.4267","0.0018","15.9591","0.0016","88.488","0.008","96.881","0.008","92.679","0.007","3274.8","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","Tetrachlorido-1κ<i>Cl</i>;2κ^3^<i>Cl</i>-(7,7,12,12,17,17-octamethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^3,6^.1^8,11^.1^13,16^]tetracosane-1κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')-μ~2~-oxido-diiron(III)","","- C28 H52 Cl4 Fe2 N4 O -","- C28 H52 Cl4 Fe2 N4 O -","- C112 H208 Cl16 Fe8 N16 O4 -","4","2","BG3174","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","Phase-transformation-induced twinning of an iron(III) calix[4]pyrrolidine complex","Acta Crystallographica Section C","2014","70","7","644","649","10.1107/S2053229614012157","","","0.71073","MoKα","","0.1812","0.0945","","","0.2113","0.2428","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019585","17.771","0.003","19.703","0.003","14.21","0.003","90","","114.097","0.006","90","","4541.9","1.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetrakis(4-aminopyridinium) perylene-3,4,9,10-tetracarboxylate octahydrate","","- C44 H52 N8 O16 -","- C44 H52 N8 O16 -","- C176 H208 N32 O64 -","4","0.5","YF3064","Zhang, Zhi-Hui; Wang, Jin-Long; Gao, Ning; He, Ming-Yang","A 16-connected three-dimensional hydrogen-bonding network in tetrakis(4-aminopyridinium) perylene-3,4,9,10-tetracarboxylate octahydrate","Acta Crystallographica Section C","2014","70","7","668","671","10.1107/S2053229614012947","","","0.71073","MoKα","","0.1445","0.0613","","","0.1143","0.1373","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019586","13.9098","0.0017","10.1293","0.0008","19.485","0.002","90","","100.966","0.01","90","","2695.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tris(biphenyl-2-yl) borate","","- C36 H27 B O3 -","- C36 H27 B O3 -","- C144 H108 B4 O12 -","4","1","SK3550","Budanow, Alexandra; Sinke, Tanja; Lerner, Hans-Wolfram; Bolte, Michael","Packing considerations of 10-oxa-9-boraphenanthrene derivatives","Acta Crystallographica Section C","2014","70","7","662","667","10.1107/S205322961401290X","","","0.71073","MoKα","","0.1328","0.0669","","","0.1179","0.1365","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019587","14.7548","0.0011","5.1497","0.0003","24.58","0.002","90","","90","","90","","1867.7","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","10-oxa-9-boraphenanthren-9-ol","","- C12 H9 B O2 -","- C12 H9 B O2 -","- C96 H72 B8 O16 -","8","2","SK3550","Budanow, Alexandra; Sinke, Tanja; Lerner, Hans-Wolfram; Bolte, Michael","Packing considerations of 10-oxa-9-boraphenanthrene derivatives","Acta Crystallographica Section C","2014","70","7","662","667","10.1107/S205322961401290X","","","0.71073","MoKα","","0.0592","0.0422","","","0.0933","0.1003","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019588","25.627","0.003","5.1594","0.0004","14.7701","0.0012","90","","106.459","0.007","90","","1872.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-oxa-9-boraphenanthren-9-ol","","- C12 H9 B O2 -","- C12 H9 B O2 -","- C96 H72 B8 O16 -","8","2","SK3550","Budanow, Alexandra; Sinke, Tanja; Lerner, Hans-Wolfram; Bolte, Michael","Packing considerations of 10-oxa-9-boraphenanthrene derivatives","Acta Crystallographica Section C","2014","70","7","662","667","10.1107/S205322961401290X","","","0.71073","MoKα","","0.1038","0.0906","","","0.2152","0.2304","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019589","20.7814","0.001","10.374","0.0004","32.6452","0.0019","90","","93.427","0.004","90","","7025.3","0.6","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","9-[(Biphenyl-2-yl)oxy]-10-oxa-9-boraphenanthrene","","- C24 H17 B O2 -","- C24 H17 B O2 -","- C384 H272 B16 O32 -","16","4","SK3550","Budanow, Alexandra; Sinke, Tanja; Lerner, Hans-Wolfram; Bolte, Michael","Packing considerations of 10-oxa-9-boraphenanthrene derivatives","Acta Crystallographica Section C","2014","70","7","662","667","10.1107/S205322961401290X","","","0.71073","MoKα","","0.0782","0.0548","","","0.1309","0.1422","","","","","","0.94","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019590","4.79","0.0008","7.7306","0.0012","24.562","0.004","90","","90","","90","","909.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Poly[(μ~5~-3-carboxybenzene-1,2-dicarboxylato)lead(II)]","","- C9 H4 O6 Pb -","- C9 H4 O6 Pb -","- C36 H16 O24 Pb4 -","4","1","YP3068","Cheng, Shao-Min; Wang, Xian-Fei; Yang, Fang; Chen, Hang; Liu, Wen-Long","Poly[(μ~5~-3-carboxybenzene-1,2-dicarboxylato)lead(II)]: a helical lead(II) coordination polymer","Acta Crystallographica Section C","2014","70","7","693","696","10.1107/S2053229614013667","","","0.71073","MoKα","","0.0354","0.0296","","","0.0526","0.0548","","","","","","0.947","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019591","3.7492","0.0006","10.2864","0.0019","17.238","0.003","90","","90","","90","","664.8","0.2","199","2","199","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-nitro-o-phenylenediamine","4-Nitrobenzene-1,2-diamine","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","SK3544","Geiger, David K.; Parsons, Dylan E.","Hydrogen bonding in 4-nitrobenzene-1,2-diamine and two hydrohalide salts","Acta Crystallographica Section C","2014","70","7","681","688","10.1107/S2053229614013485","","","0.71073","MoKa","","0.0374","0.0301","","","0.0684","0.0721","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019592","4.4743","0.0011","29.757","0.007","6.1706","0.0015","90","","97.774","0.008","90","","814","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-nitro-o-phenylenediamine hydrochloride","2-Amino-5-nitroanilinium chloride","","- C6 H8 Cl N3 O2 -","- C6 H8 Cl N3 O2 -","- C24 H32 Cl4 N12 O8 -","4","2","SK3544","Geiger, David K.; Parsons, Dylan E.","Hydrogen bonding in 4-nitrobenzene-1,2-diamine and two hydrohalide salts","Acta Crystallographica Section C","2014","70","7","681","688","10.1107/S2053229614013485","","","0.71073","MoKa","","0.0733","0.0493","","","0.0945","0.1016","","","","","","0.94","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019593","14.352","0.002","20.086","0.003","6.4851","0.0009","90","","90","","90","","1869.5","0.5","200","2","200","2","","","","","","","","5","I b a 2","I 2 -2c","45","4-nitro-o-phenylene diamine hydrobromide monohydrate","2-Amino-4-nitroanilinium bromide monohydrate","","- C6 H10 Br N3 O3 -","- C6 H10 Br N3 O3 -","- C48 H80 Br8 N24 O24 -","8","1","SK3544","Geiger, David K.; Parsons, Dylan E.","Hydrogen bonding in 4-nitrobenzene-1,2-diamine and two hydrohalide salts","Acta Crystallographica Section C","2014","70","7","681","688","10.1107/S2053229614013485","","","0.71073","MoKa","","0.0416","0.0303","","","0.0671","0.0709","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019594","7.9521","0.0009","32.17","0.003","8.5382","0.001","90","","108.24","0.016","90","","2074.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-{4-[(7-Chloroquinolin-4-yl)oxy]-3-methoxyphenyl}-1-(4-methylphenyl)prop-2-en-1-one","","- C26 H20 Cl N O3 -","- C26 H20 Cl N O3 -","- C104 H80 Cl4 N4 O12 -","4","1","YF3063","Montoya, Alba; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-3-{4-[(7-Chloroquinolin-4-yl)oxy]-3-methoxyphenyl}-1-(4-methylphenyl)prop-2-en-1-one: a ladder-like structure resulting solely from π‒π stacking interactions","Acta Crystallographica Section C","2014","70","7","677","680","10.1107/S2053229614013588","","","0.71073","MoKα","","0.127","0.0546","","","0.1206","0.1548","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019595","9.7082","0.0002","8.9123","0.0003","8.482","0.0002","90","","90","","90","","733.88","0.03","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","L-Aspartate chloride","<i>L</i>-Aspartic acid hydrochloride","","- C4 H8 Cl N O4 -","- C4 H8 Cl N O4 -","- C16 H32 Cl4 N4 O16 -","4","1","SK3547","Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine","A comparative study of two polymorphs of <small>L</small>-aspartic acid hydrochloride","Acta Crystallographica Section C","2014","70","7","689","692","10.1107/S2053229614013163","","","0.71073","MoKα","","0.0464","0.0368","","","0.0831","0.0903","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019596","5.5888","0.0005","5.6045","0.0006","6.1697","0.0007","114.57","0.01","97.752","0.009","95.72","0.008","171.52","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","L-Aspartate chloride","<i>L</i>-Aspartic acid hydrochloride","","- C4 H8 Cl N O4 -","- C4 H8 Cl N O4 -","- C4 H8 Cl N O4 -","1","1","SK3547","Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine","A comparative study of two polymorphs of <small>L</small>-aspartic acid hydrochloride","Acta Crystallographica Section C","2014","70","7","689","692","10.1107/S2053229614013163","","","0.71073","MoKα","","0.022","0.0216","","","0.0537","0.0543","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019597","8.8825","0.0003","10.561","0.0004","12.2541","0.0005","71.724","0.003","80.582","0.004","84.974","0.003","1076.03","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,1,3,3-tetracyano-2-ethoxypropenido-κ<i>N</i>)copper(II)]-μ~4~-hexane-1,6-dioato-κ^6^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^:<i>O</i>^6^,<i>O</i>^6'^:<i>O</i>^6^]","","- C44 H34 Cu2 N12 O6 -","- C44 H34 Cu2 N12 O6 -","- C44 H34 Cu2 N12 O6 -","1","0.5","YF3065","Setifi, Zouaoui; Boutebdja, Mehdi; Setifi, Fatima; Merazig, Hocine; Glidewell, Christopher","Coordination polymer chains built from Cu^II^ and adipate ions linked by hydrogen bonds to form a three-dimensional framework structure","Acta Crystallographica Section C","2014","70","7","702","706","10.1107/S205322961401359X","","","0.71073","MoKα","","0.0455","0.0322","","","0.0753","0.078","","","","","","0.961","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2019598","17.1629","0.0006","16.5904","0.0006","16.1754","0.0006","90","","112.75","0.001","90","","4247.4","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[[μ-4,4'-(propane-1,3-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>](μ-3,3'-thiodipropionato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)cadmium(II)] monohydrate]","","- C19 H24 Cd N2 O5 S -","- C19 H22 Cd N2 O5 S -","- C152 H176 Cd8 N16 O40 S8 -","8","1","QS3036","Hao, Xiao-Min; Chen, Gang; Gu, Chang-Sheng; Liu, Ji-Wei","A three-dimensional cadmium(II) coordination polymer: poly[[[μ-4,4'-(propane-1,3-diyl)dipyridine-κ^2^<i>N</i>:<i>N</i>](μ-3,3'-thiodipropionato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)cadmium(II)] monohydrate]","Acta Crystallographica Section C","2014","70","7","712","714","10.1107/S2053229614013011","","","0.71073","MoKα","","0.0391","0.034","","","0.1045","0.1093","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019599","6.3512","0.0012","10.405","0.002","12.464","0.002","95.548","0.003","99.348","0.003","100.2","0.003","793.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","8-Oxo-5,10,15,20-tetraphenyl-7-oxaporphyrin <i>N</i>^24^-oxide","","- C43 H28 N4 O3 -","- C42.9998 H28 N3.9998 O2.9996 -","- C42.9998 H28 N3.9998 O2.9996 -","1","0.5","GZ3266","Zeller, Matthias; Banerjee, Subhadeep; Brückner, Christian","Oxazolochlorins. 14. 8-Oxo-5,10,15,20-tetraphenyl-7-oxaporphyrin <i>N</i>^24^-oxide","Acta Crystallographica Section C","2014","70","7","707","711","10.1107/S2053229614013953","","","0.71073","MoKα","","0.0817","0.0584","","","0.1325","0.1441","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019600","11.2923","0.0008","29.204","0.003","15.8321","0.0016","90","","90","","90","","5221.1","0.8","147","2","147","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Hexa-<i>tert</i>-butyldisilane","","- C24 H54 Si2 -","- C24 H54 Si2 -","- C192 H432 Si16 -","8","1","","Scholz, Stefan; Lerner, Hans-Wolfram; Bats, Jan W.","A low-temperature modification of hexa-<i>tert</i>-butyldisilane and a new polymorph of 1,1,2,2-tetra-<i>tert</i>-butyl-1,2-diphenyldisilane","Acta Crystallographica Section C","2014","70","7","697","701","10.1107/S2053229614013503","","","0.71073","MoKα","","0.0921","0.0483","","","0.102","0.1157","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019601","9.024","0.0011","17.566","0.002","18.961","0.003","116.476","0.006","95.018","0.007","90.263","0.01","2676.9","0.6","157","2","157","2","","","","","","","","3","P -1","-P 1","2","","1,1,2,2-Tetra-<i>tert</i>-butyl-1,2-diphenyldisilane","","- C28 H46 Si2 -","- C28 H46 Si2 -","- C112 H184 Si8 -","4","2","","Scholz, Stefan; Lerner, Hans-Wolfram; Bats, Jan W.","A low-temperature modification of hexa-<i>tert</i>-butyldisilane and a new polymorph of 1,1,2,2-tetra-<i>tert</i>-butyl-1,2-diphenyldisilane","Acta Crystallographica Section C","2014","70","7","697","701","10.1107/S2053229614013503","","","0.71073","MoKα","","0.1053","0.0498","","","0.1007","0.1157","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019602","11.1541","0.0009","11.671","0.0009","12.2073","0.001","93.545","0.001","106.904","0.001","106.283","0.001","1441.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[aqua(μ~2~-phthalato-κ^2^<i>O</i>^1^:<i>O</i>^2^){μ~3~-2-[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1-yl]acetato-κ^4^<i>N</i>^2^,<i>N</i>^3^:<i>O</i>:<i>O</i>'}{μ~2~-2-[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1-yl]acetato-κ^3^<i>N</i>^2^,<i>N</i>^3^:<i>O</i>}dizinc(II)] dihydrate]","","- C28 H26 N6 O11 Zn2 -","- C28 H26 N6 O11 Zn2 -","- C56 H52 N12 O22 Zn4 -","2","1","","Cai, Hua; Xiao, Yan-Ling; Guo, Ying; Li, Jian-Gang","Controllable assembly of a three-dimensional metal‒organic supramolecular framework displaying hydrogen-bonding and π‒π stacking interactions","Acta Crystallographica Section C","2014","70","7","722","725","10.1107/S2053229614014247","","","0.71073","MoKα","","0.0554","0.0367","","","0.0755","0.0833","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019603","8.5761","0.0005","8.9118","0.0006","16.4088","0.0009","96.192","0.005","91.571","0.005","112.971","0.006","1144.6","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[2,5-Bis(2,2'-bipyridyl-6-yl)-3,4-diazahexa-2,4-diene]dichloridomanganese(II)","","- C24 H20 Cl2 Mn N6 -","- C24 H20 Cl2 Mn N6 -","- C48 H40 Cl4 Mn2 N12 -","2","1","DT3025","Lu, Zhengliang; Zhao, Yuanchao; Chen, Baolian; Huang, Ximing; Fan, Chunhua","[2,5-Bis(2,2'-bipyridyl-6-yl)-3,4-diazahexa-2,4-diene]dichloridomanganese(II): from a mononuclear compound to a three-dimensional supramolecular framework through C—H···Cl hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2014","70","7","718","721","10.1107/S2053229614014107","","","0.71073","MoKα","","0.0532","0.0379","","","0.0852","0.0942","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019604","7.519","0.0002","13.2464","0.0003","11.5073","0.0004","90","","104.388","0.001","90","","1110.18","0.05","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-Poly[[pentaaquauranium(IV)]-di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'] monohydrate]","","- H12 O14 S2 U -","- H12 O14 S2 U -","- H48 O56 S8 U4 -","4","0.5","FA3344","Burns, Alexander D.; Patrick, Brian O.; Lam, Anita E.; Dreisinger, David","The effect of coordinated water on the connectivity of uranium(IV) sulfate <i>x</i>-hydrate: [U(SO~4~)~2~(H~2~O)~5~]·H~2~O and [U(SO~4~)~2~(H~2~O)~6~]·2H~2~O, and a comparison with other known structures","Acta Crystallographica Section C","2014","70","7","726","731","10.1107/S2053229614013801","","","0.71073","MoKα","","0.0108","0.0108","","","0.0284","0.0284","","","","","","1.313","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019605","8.4071","0.0003","11.7144","0.0004","13.2659","0.0004","90","","92.51","0.001","90","","1305.23","0.08","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Hexaaquabis(sulfato-κ^2^<i>O</i>,<i>O</i>')uranium(IV) dihydrate","","- H16 O16 S2 U -","- H16 O16 S2 U -","- H64 O64 S8 U4 -","4","1","FA3344","Burns, Alexander D.; Patrick, Brian O.; Lam, Anita E.; Dreisinger, David","The effect of coordinated water on the connectivity of uranium(IV) sulfate <i>x</i>-hydrate: [U(SO~4~)~2~(H~2~O)~5~]·H~2~O and [U(SO~4~)~2~(H~2~O)~6~]·2H~2~O, and a comparison with other known structures","Acta Crystallographica Section C","2014","70","7","726","731","10.1107/S2053229614013801","","","0.71073","MoKα","","0.0268","0.0173","","","0.0324","0.0349","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019606","4.608","0.004","26.4","0.02","6.123","0.005","90","","109.044","0.008","90","","704.1","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~5~-thiophene-3,4-dicarboxylato)manganese(II)]","","- C6 H2 Mn O4 S -","- C6 H2 Mn O4 S -","- C24 H8 Mn4 O16 S4 -","4","0.5","FA3345","Wang, Gui-Xia; Shang, Li-Li; Li, Zhao-Hao; Zhao, Bang-Tun","A new two-dimensional manganese(II) coordination polymer based on thiophene-3,4-dicarboxylic acid","Acta Crystallographica Section C","2014","70","7","715","717","10.1107/S205322961401417X","","","0.71073","MoKα","","0.0255","0.0246","","","0.0668","0.0674","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019607","11.4287","0.0018","12.068","0.002","7.5427","0.0013","90","","90","","90","","1040.3","0.3","200","2","200","1","","","","","","","","5","P c a 21","P 2c -2ac","29","ammonium <i>p</i>-arsanilate monohydrate","Ammonium 4-aminophenylarsonate monohydrate","","- C6 H13 As N2 O4 -","- C6 H13 As N2 O4 -","- C24 H52 As4 N8 O16 -","4","1","KY3057","Smith, Graham; Wermuth, Urs D.","The three-dimensional hydrogen-bonded structures in the ammonium and sodium salt hydrates of 4-aminophenylarsonic acid","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614014867","","","0.71073","MoKα","","0.0307","0.0274","","","0.0646","0.0672","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019608","10.4069","0.0013","13.641","0.0017","7.7494","0.0009","90","","90","","90","","1100.1","0.2","200","1","200","1","","","","","","","","6","P c a 21","P 2c -2ac","29","sodium <i>p</i>-arsanilate trihydrate","<i>catena</i>-poly[[(4-aminophenylarsonato-κ<i>O</i>)diaquasodium]-μ-aqua]","","- C6 H13 As N Na O6 -","- C6 H13 As N Na O6 -","- C24 H52 As4 N4 Na4 O24 -","4","1","KY3057","Smith, Graham; Wermuth, Urs D.","The three-dimensional hydrogen-bonded structures in the ammonium and sodium salt hydrates of 4-aminophenylarsonic acid","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614014867","","","0.71073","MoKα","","0.0355","0.0325","","","0.0704","0.0726","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019609","5.554","0.002","5.639","0.002","7.973","0.003","90","","105.98","0.05","90","","240.06","0.16","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Zirconium tetrafluoride","","- F4 Zr -","- F4 Zr -","- F16 Zr4 -","4","1","","Laval, Jean-Paul","Crystal chemistry of anion-excess ReO~3~-related phases. III. γ-ZrF~4~, a high-pressure form of zirconium tetrafluoride, and a comparison of <i>MX</i>~4~ structure types","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614014338","","","0.7107","MoKα","","0.027","0.0261","","","0.0705","0.0708","","","","","","1.289","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019610","9.4905","0.0008","9.4969","0.0008","11.4851","0.001","90","","100.306","0.002","90","","1018.45","0.15","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7018","Bis[(1,2,3,3a,10a,10b-η)-pyrene]vanadium(0)","","- C32 H20 V -","- C32 H20 V -","- C64 H40 V2 -","2","0.5","WQ3068","Kucera, Benjamin E.; Jilek, Robert E.; Brennessel, William W.; Ellis, John E.","Bis(pyrene)metal complexes of vanadium, niobium and titanium: isolable homoleptic pyrene complexes of transition metals","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015290","","","0.71073","MoKα","","0.0578","0.038","","","0.0912","0.1027","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019611","8.5838","0.0012","9.5974","0.0013","12.8876","0.0018","90","","105.554","0.002","90","","1022.8","0.2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","7057","Bis[(1,2,3,3a,10a,10b-η)-pyrene]niobium(0)","","- C32 H20 Nb -","- C32 H20 Nb -","- C64 H40 Nb2 -","2","0.5","WQ3068","Kucera, Benjamin E.; Jilek, Robert E.; Brennessel, William W.; Ellis, John E.","Bis(pyrene)metal complexes of vanadium, niobium and titanium: isolable homoleptic pyrene complexes of transition metals","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015290","","","0.71073","MoKα","","0.0585","0.0335","","","0.0726","0.085","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019612","10.3934","0.0013","15.682","0.002","11.3559","0.0014","90","","111.084","0.002","90","","1727","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7226","<i>catena</i>-Poly[[(18-crown-6)potassium]-μ-[(1,2-η:1,2,3,3a,10a,10b-η)-pyrene]-titanate(I)-μ-[(1,2,3,3a,10a,10b-η:6,7-η)-pyrene]]","","- C44 H44 K O6 Ti -","- C44 H44 K O6 Ti -","- C88 H88 K2 O12 Ti2 -","2","0.5","WQ3068","Kucera, Benjamin E.; Jilek, Robert E.; Brennessel, William W.; Ellis, John E.","Bis(pyrene)metal complexes of vanadium, niobium and titanium: isolable homoleptic pyrene complexes of transition metals","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015290","","","0.71073","MoKα","","0.0663","0.0409","","","0.0989","0.1147","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019613","10.6904","0.0004","13.9661","0.0006","15.2652","0.0006","69.182","0.002","72.346","0.002","80.313","0.002","2025.33","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis(μ~2~-benzene-1,4-dicarboxylato){μ~4~-<i>N</i>^1^,<i>N</i>^3^,<i>N</i>^5^-tris[(pyridin-3-yl)methyl]benzene-1,3,5-tricarboxamide}dizinc(II)] 0.22-hydrate]","","- C43 H34 N6 O12 Zn2 -","- C43 H32 N6 O12 Zn2 -","- C86 H64 N12 O24 Zn4 -","2","1","BG3173","Li, Jian-Qiang; Wu, Xiao-Liu; Liu, Shu-Juan; Luo, Ming-Biao","An acylamide metal‒organic framework with an unprecedented four-connecting trinodal topology and amide oxygen coordination","Acta Crystallographica Section C Structural Chemistry","2014","70","8","","","10.1107/S205322961401451X","","","0.71073","MoKα","","0.0476","0.0344","","","0.0891","0.0964","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019614","8.1153","0.0002","9.0404","0.0002","10.0759","0.0002","83.16","0.001","81.994","0.001","77.423","0.001","711.43","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[di-μ~3~-acetato-κ^6^<i>O</i>:<i>O</i>:<i>O</i>'-tetra-μ~2~-acetato-κ^4^<i>O</i>:<i>O</i>;κ^4^<i>O</i>:<i>O</i>'-diaquabis(pyridine-κ<i>N</i>)trimanganese(II)]","","- C22 H32 Mn3 N2 O14 -","- C22 H32 Mn3 N2 O14 -","- C22 H32 Mn3 N2 O14 -","1","0.5","YP3067","Caballero-Jiménez, Judith; Reyes Ortega, Yasmi; Bernès, Sylvain; Escudero, Roberto","A candidate for a single-chain magnet: [Mn~3~(OAc)~6~(py)~2~(H~2~O)~2~]~<i>n~</i> (OAc is acetate and py is pyridine)","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015137","","","0.71073","MoKα","","0.0218","0.0196","","","0.0551","0.0565","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019615","3.74","0.008","17.42","0.04","22.18","0.05","90","","90","","90","","1445","6","100","","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Chloro-<i>N</i>-(2-chloro-4-nitrophenyl)-2-hydroxybenzenecarboxamide","","- C14 H12 Cl2 N2 O5 -","- C14 H12 Cl2 N2 O5 -","- C56 H48 Cl8 N8 O20 -","4","1","FA3349","Harriss, Bethany I.; Wilson, Claire; Radosavljevic Evans, Ivana","Niclosamide methanol solvate and niclosamide hydrate: structure, solvent inclusion mode and implications for properties","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015496","","","0.6889","","","0.118","0.0952","","0.1071","0.1029","0.1029","","","","","","1.1948","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019616","7.7509","0.0004","10.8253","0.0001","12.5824","0.0011","77.543","0.016","81.089","0.018","72.256","0.016","977.32","0.14","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Bis[4-amino-3,5-bis(pyridin-3-yl)-1,2,4-triazole-κ<i>N</i>^3^]bis(trithiocyanurato-κ^2^<i>N</i>,<i>S</i>)zinc(II)","","- C30 H28 N18 O2 S6 Zn -","- C30 H28 N18 O2 S6 Zn -","- C30 H28 N18 O2 S6 Zn -","1","0.5","WQ3063","He, Xiao-Xiao; Guo, Ya-Mei","Two Zn^II^ coordination complexes assembled by trithiocyanuric acid and two different N-donor auxiliary ligands","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614014260","","","0.71073","MoKα","","0.042","0.0351","","","0.0857","0.09","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019617","13.3778","0.001","11.3937","0.0009","19.2967","0.0014","90","","96.044","0.001","90","","2924.9","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[bis(trithiocyanurato-κ^2^<i>N</i>,<i>S</i>)zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4,4'-bipyridine monosolvate]","","- C26 H20 N10 S6 Zn -","- C26 H20 N10 S6 Zn -","- C104 H80 N40 S24 Zn4 -","4","0.5","WQ3063","He, Xiao-Xiao; Guo, Ya-Mei","Two Zn^II^ coordination complexes assembled by trithiocyanuric acid and two different N-donor auxiliary ligands","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614014260","","","0.71073","MoKα","","0.0463","0.0392","","","0.0987","0.1026","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019618","4.5261","0.0007","7.1356","0.0011","7.8147","0.0011","90","","90","","90","","252.39","0.07","273","2","273","2","","","","","","","","3","I m m 2","I 2 -2","44","","Calcium gold stannide","","- Au Ca Sn -","- Au Ca Sn -","- Au4 Ca4 Sn4 -","4","0.5","FN3175","Lin, Qisheng; Corbett, John D.","The low-temperature form of calcium gold stannide, CaAuSn","Acta Crystallographica Section C","2014","70","8","","","10.1107/S205322961401612X","","","0.71073","MoKα","","0.028","0.0276","","","0.0719","0.072","","","","","","1.173","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019619","8.53937","0.00013","15.0206","0.0002","21.396","0.0003","90","","90","","90","","2744.39","0.07","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-<i>N</i>-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide","","- C11 H13 N3 O2 S2 -","- C11 H13 N3 O2 S2 -","- C88 H104 N24 O16 S16 -","8","1","FA3347","Li, Xiaozhou; Bond, Andrew D.; Johansson, Kristoffer E.; Van de Streek, Jacco","Distinguishing tautomerism in the crystal structure of (<i>Z</i>)-<i>N</i>-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide using DFT-D calculations and ^13^C solid-state NMR","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015356","powder diffraction","","1.54056","CuKα~1~","","0.033","","","","","","","","1.53","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019620","10.3834","0.0004","6.807","0.0003","25.4684","0.001","90","","96.25","","90","","1789.4","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[diaqua(μ~2~-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline)di-μ~4~-sulfato-μ~3~-sulfato-dicadmium(II)]","","- C13 H12 Cd2 N4 O10 S2 -","- C13 H12 Cd2 N4 O10 S2 -","- C52 H48 Cd8 N16 O40 S8 -","4","1","EM3069","Hao, Xiao-Min; Chen, Gang; Gu, Chang-Sheng; Liu, Ji-Wei","The two-dimensional coordination polymer poly[diaqua(μ~2~-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline)-μ~4~-sulfato-μ~3~-sulfato-dicadmium(II)]","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015514","","","0.71073","MoKα","","0.0251","0.0219","","","0.0513","0.053","","","","","","1.019","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019621","13.6666","0.0006","9.6505","0.0005","15.1672","0.0007","90","","95.079","0.005","90","","1992.54","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pyr-Gpn-NH-NH-Pyr","<i>N</i>-[(1-{2-Oxo-2-[2-(pyrazin-2-ylcarbonyl)hydrazin-1-\ yl]ethyl}cyclohexyl)methyl]pyrazine-2-carboxamide monohydrate","","- C19 H25 N7 O4 -","- C19 H25 N7 O4 -","- C76 H100 N28 O16 -","4","1","","Wani, Naiem Ahmad; Gupta, Vivek Kumar; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor","An unusual conformation of gabapentin (Gpn) in Pyr-Gpn-NH-NH-Pyr stabilized by weak interactions","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015587","","","0.71073","MoKα","","0.1065","0.0491","","","0.0774","0.0979","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019622","13.798","0.0009","20.8958","0.0016","19.2954","0.0015","90","","90","","90","","5563.3","0.7","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dichloridobis(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) dichloromethane hemisolvate","","- C30.5 H25 Cl3 Co N4 -","- C30.5 H25 Cl3 Co N4 -","- C244 H200 Cl24 Co8 N32 -","8","1","YP3074","Nyamato, George S.; Ojwach, Stephen O.; Akerman, Matthew P.","Packing forces in dichloridobis(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) dichloromethane hemisolvate","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015411","","","0.71073","MoKα","","0.0292","0.0244","","","0.0586","0.0609","","","","","","1.032","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019623","16.9663","0.0013","10.8788","0.0008","4.9606","0.0004","90","","90","","90","","915.59","0.12","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[aqua(μ~4~-5-carboxylato-1-carboxylatomethyl-2-oxidopyridinium)zinc(II)]","","- C8 H7 N O6 Zn -","- C8 H7 N O6 Zn -","- C32 H28 N4 O24 Zn4 -","4","1","FM3020","Ma, De-Yun; Zheng, Jing; Cao, Jie-Qiong; Lin, Xu-Min; Ling, You-Biao","A three-dimensional zinc-based coordination polymer built from 5-carboxylato-1-carboxylatomethyl-2-oxidopyridinium with a 4-connected <b>sra</b> topology","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614016829","","","0.71073","MoKα","","0.0331","0.0287","","","0.0609","0.0641","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019624","12.5508","0.0006","10.1916","0.0005","24.7009","0.001","90","","93.962","0.004","90","","3152","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5-[(Diphenylphosphanyl)methyl]-1,1,2,4,4,5-hexaphenyl-1,4-diphospha-2,5-diboracyclohexane; tetrahydrofuran disolvate","","- C72 H74 B2 O2 P4 -","- C72 H74 B2 O2 P4 -","- C144 H148 B4 O4 P8 -","2","0.5","UK3100","Müller, Manuela; Lerner, Hans-Wolfram; Bolte, Michael","Polymorphism of 2,5-[(diphenylphosphanyl)methyl]-1,1,2,4,4,5-hexaphenyl-1,4-diphospha-2,5-diboracyclohexane","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614016684","","","0.71073","MoKα","","0.0702","0.0498","","","0.1136","0.1223","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019625","12.3097","0.0006","13.3629","0.0004","18.4243","0.0009","90","","93.72","0.004","90","","3024.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5-[(Diphenylphosphanyl)methyl]-1,1,2,4,4,5-hexaphenyl-1,4-diphospha-2,5-diboracyclohexane tetrahydrofuran disolvate","","- C72 H74 B2 O2 P4 -","- C72 H74 B2 O2 P4 -","- C144 H148 B4 O4 P8 -","2","0.5","UK3100","Müller, Manuela; Lerner, Hans-Wolfram; Bolte, Michael","Polymorphism of 2,5-[(diphenylphosphanyl)methyl]-1,1,2,4,4,5-hexaphenyl-1,4-diphospha-2,5-diboracyclohexane","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614016684","","","0.71073","MoKα","","0.0414","0.0356","","","0.0895","0.0929","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019626","22.8933","0.0018","13.4283","0.0006","20.2287","0.0013","90","","109.813","0.005","90","","5850.5","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-[(Diphenylphosphanyl)methyl]-1,1,2,4,4,5-hexaphenyl-1,4-diphospha-2,5-diboracyclohexane toluene monosolvate","","- C71 H66 B2 P4 -","- C71 H66 B2 P4 -","- C284 H264 B8 P16 -","4","1","UK3100","Müller, Manuela; Lerner, Hans-Wolfram; Bolte, Michael","Polymorphism of 2,5-[(diphenylphosphanyl)methyl]-1,1,2,4,4,5-hexaphenyl-1,4-diphospha-2,5-diboracyclohexane","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614016684","","","0.71073","MoKα","","0.1375","0.0662","","","0.1087","0.1281","","","","","","0.94","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019627","5.7891","0.00015","8.8045","0.0002","10.9688","0.0003","90.638","0.002","95.794","0.002","107.99","0.002","528.5","0.02","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","5-(2-Hydroxyethyl)-2-[(pyridin-2-yl)amino]-1,3-thiazolidin-4-one","","- C10 H11 N3 O2 S -","- C10 H11 N3 O2 S -","- C20 H22 N6 O4 S2 -","2","1","WQ3065","Gzella, Andrzej K.; Kowiel, Marcin; Suseł, Aneta; Wojtyra, Magdalena N.; Lesyk, Roman","Heterocyclic tautomerism: reassignment of two crystal structures of 2-amino-1,3-thiazolidin-4-one derivatives","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015162","","","0.71073","MoKα","","0.0389","0.0357","","","0.0857","0.0879","","","","","","1.133","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019628","3.985","0.0002","5.5113","0.0003","26.8877","0.0014","84.483","0.005","89.67","0.005","86.338","0.005","586.59","0.05","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-[(4-oxothiazolidin-2-yl)amino]benzoate","","- C12 H12 N2 O3 S -","- C12 H12 N2 O3 S -","- C24 H24 N4 O6 S2 -","2","1","WQ3065","Gzella, Andrzej K.; Kowiel, Marcin; Suseł, Aneta; Wojtyra, Magdalena N.; Lesyk, Roman","Heterocyclic tautomerism: reassignment of two crystal structures of 2-amino-1,3-thiazolidin-4-one derivatives","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015162","","","0.71073","MoKα","","0.0324","0.0298","","","0.0766","0.0784","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019629","18.0371","0.0004","15.4309","0.0003","14.2604","0.0003","90","","90","","90","","3969.08","0.14","100","2","100.02","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ethyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H24 Br N O3 -","- C21 H24 Br N O3 -","- C168 H192 Br8 N8 O24 -","8","1","SF3233","Steiger, Scott A.; Monacelli, Anthony J.; Li, Chun; Hunting, Janet L.; Natale, Nicholas R.","The effect of bromine scanning around the phenyl group of 4-phenylquinolone derivatives","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015617","","","0.71073","MoKα","","0.0663","0.0424","","","0.0913","0.101","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019630","17.0813","0.0005","15.4877","0.0005","14.2544","0.0005","90","","90","","90","","3771","0.2","100","2","100.01","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H24 Br N O3 -","- C21 H24 Br N O3 -","- C168 H192 Br8 N8 O24 -","8","1","SF3233","Steiger, Scott A.; Monacelli, Anthony J.; Li, Chun; Hunting, Janet L.; Natale, Nicholas R.","The effect of bromine scanning around the phenyl group of 4-phenylquinolone derivatives","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015617","","","0.71073","MoKα","","0.0406","0.0318","","","0.0797","0.084","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019631","14.5012","0.0018","18.299","0.002","15.1952","0.0019","90","","107.526","0.0015","90","","3845","0.8","100","2","100.4","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H24 Br N O3 -","- C21 H24 Br N O3 -","- C168 H192 Br8 N8 O24 -","8","2","SF3233","Steiger, Scott A.; Monacelli, Anthony J.; Li, Chun; Hunting, Janet L.; Natale, Nicholas R.","The effect of bromine scanning around the phenyl group of 4-phenylquinolone derivatives","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015617","","","0.71073","MoKα","","0.0582","0.036","","","0.0738","0.0811","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019632","10.8536","0.0004","10.8103","0.0004","11.3901","0.0004","90","","92.717","0.002","90","","1334.91","0.08","200","2","200","2","","","","","","","","5","P 1 c 1","P -2yc","7","Flunarizinium nicotinate","4-Bis[(4-fluorophenyl)methyl]-1-[(2<i>E</i>)-3-phenylprop-2-en-1-yl]piperazin-1-ium pyridine-3-carboxylate","","- C32 H31 F2 N3 O2 -","- C32 H31 F2 N3 O2 -","- C64 H62 F4 N6 O4 -","2","1","SK3553","Kavitha, Channappa N.; Yathirajan, Hemmige S.; Kaur, Manpreet; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Three-dimensional hydrogen-bonded framework structures in flunarizinium nicotinate and flunarizinediium bis(4-toluenesulfonate) dihydrate","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614016532","","","0.71073","MoKα","","0.0329","0.0304","","","0.0785","0.0807","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019633","10.0546","0.0005","14.8338","0.0006","26.9437","0.0012","90","","106.497","0.003","90","","3853.2","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Flunarizinediium bis(4-toluenesulfonate) dihydrate","1-[Bis(4-fluorophenyl)methyl]-4-[(2<i>E</i>)-3-phenylprop-2-en-1-\ yl]piperazine-1,4-diium bis(4-methylbenzenesulfonate) dihydrate","","- C40 H46 F2 N2 O8 S2 -","- C40 H46 F2 N2 O8 S2 -","- C160 H184 F8 N8 O32 S8 -","4","1","SK3553","Kavitha, Channappa N.; Yathirajan, Hemmige S.; Kaur, Manpreet; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Three-dimensional hydrogen-bonded framework structures in flunarizinium nicotinate and flunarizinediium bis(4-toluenesulfonate) dihydrate","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614016532","","","0.71073","MoKα","","0.0844","0.0753","","","0.1952","0.2019","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019634","12.6308","0.0009","3.6509","0.0003","20.0499","0.0015","90","","90","","90","","924.58","0.12","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Poly[(μ~4~-azido)[μ~4~-5-(pyridin-4-yl)tetrazolido]disilver(I)]","","- C6 H4 Ag2 N8 -","- C6 H4 Ag2 N8 -","- C24 H16 Ag8 N32 -","4","1","SK3549","Meng, Gao-Xiang; Feng, Ya-Min; Huang, Xin-Tang","Topological analysis of the three-dimensional coordination polymer poly[(μ~4~-azido)[μ~4~-5-(pyridin-4-yl)tetrazolido]disilver(I)]","Acta Crystallographica Section C","2014","70","8","823","827","10.1107/S2053229614016702","","","0.71073","MoKα","","0.0428","0.0382","","","0.0819","0.0842","","","","","","1.142","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019635","23.049","0.004","17.067","0.003","21.543","0.003","90","","109.779","0.003","90","","7975","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2249","Bis[([2.2.2]cryptand)potassium(I)] tris(2,2'-bipyridine)ferrate(‒I) anthrancene(‒I)","","- C80 H106 Fe K2 N10 O12 -","- C80 H106 Fe K2 N10 O12 -","- C320 H424 Fe4 K8 N40 O48 -","4","0.5","OV3050","Brennessel, William W.; Ellis, John E.","Homoleptic 2,2'-bipyridine metalates(‒I) of iron and cobalt, one cocrystallized with an anthracene radical anion and the other with neutral anthracene","Acta Crystallographica Section C","2014","70","8","828","832","10.1107/S2053229614017070","","","0.71073","MoKα","","0.1135","0.0569","","","0.1039","0.1219","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019636","10.5981","0.0008","14.4323","0.0011","18.4886","0.0015","99.1054","0.0013","90.8279","0.0014","109.243","0.0013","2629.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","2225","([2.2.2]Cryptand)potassium(I) bis(2,2'-bipyridine)cobaltate(‒I) anthrancene hemisolvate tetrahydrofuran disolvate","","- C53 H73 Co K N6 O8 -","- C53 H73 Co K N6 O8 -","- C106 H146 Co2 K2 N12 O16 -","2","1","OV3050","Brennessel, William W.; Ellis, John E.","Homoleptic 2,2'-bipyridine metalates(‒I) of iron and cobalt, one cocrystallized with an anthracene radical anion and the other with neutral anthracene","Acta Crystallographica Section C","2014","70","8","828","832","10.1107/S2053229614017070","","","0.71073","MoKα","","0.0433","0.031","","","0.0739","0.0786","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019637","5.3473","0.0011","13.073","0.002","8.408","0.005","90","","103.88","0.03","90","","570.6","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>S</i>)-6-Oxo-1-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C22 H26 N2 O6 S2 -","2","1","CU3059","Vrábel, Viktor; Sivý, Július; Šafář, Peter; Marchalín, Štefan","Electronic structure, novel synthesis, and O—H···O and C—H···O interactions in two 6-oxopiperidine-2-carboxylic acid derivatives","Acta Crystallographica Section C","2014","70","8","817","822","10.1107/S2053229614016301","","","0.71073","MoKα","","0.0271","0.0244","","","0.0575","0.0588","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019638","7.956","0.0004","10.371","0.0005","13.8612","0.0006","90","","90","","90","","1143.71","0.09","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-6-Oxo-1-(thiophen-3-ylmethyl)piperidine-2-carboxylic acid","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C44 H52 N4 O12 S4 -","4","1","CU3059","Vrábel, Viktor; Sivý, Július; Šafář, Peter; Marchalín, Štefan","Electronic structure, novel synthesis, and O—H···O and C—H···O interactions in two 6-oxopiperidine-2-carboxylic acid derivatives","Acta Crystallographica Section C","2014","70","8","817","822","10.1107/S2053229614016301","","","0.71073","MoKα","","0.0337","0.0292","","","0.0735","0.077","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019639","9.9611","0.0013","8.863","0.0011","5.5598","0.0007","90","","106.382","0.0013","90","","470.92","0.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","pyroxene","Sodium manganese vanadate germanate","","- Ge1.9 Mn Na O6 V0.1 -","- Ge1.9 Mn Na O6 V0.1 -","- Ge7.6 Mn4 Na4 O24 V0.4 -","4","0.5","EG3165","Redhammer, Günther J.; Tippelt, Gerold","Pyroxene-type compounds Na<i>M</i>^3+^Ge~2~O~6~, with <i>M</i> = Ga, Mn, Sc and In","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017768","","","0.71073","MoKα","","0.0228","0.0213","","","","0.0581","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019640","10.1705","0.0007","9.1545","0.0007","5.5715","0.0004","90","","107.305","0.0007","90","","495.26","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","pyroxene","Sodium scandium germanate","","- Ge2 Na O6 Sc -","- Ge2 Na O6 Sc -","- Ge8 Na4 O24 Sc4 -","4","0.5","EG3165","Redhammer, Günther J.; Tippelt, Gerold","Pyroxene-type compounds Na<i>M</i>^3+^Ge~2~O~6~, with <i>M</i> = Ga, Mn, Sc and In","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017768","","","0.71073","MoKα","","0.0146","0.0143","","","","0.0372","","","","","","1.195","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019641","10.2215","0.0007","9.1814","0.0006","5.5931","0.0004","90","","107.133","0.0007","90","","501.61","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","pyroxene","Sodium indium germanate","","- Ge2 In Na O6 -","- Ge2 In Na O6 -","- Ge8 In4 Na4 O24 -","4","0.5","EG3165","Redhammer, Günther J.; Tippelt, Gerold","Pyroxene-type compounds Na<i>M</i>^3+^Ge~2~O~6~, with <i>M</i> = Ga, Mn, Sc and In","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017768","","","0.71073","MoKα","","0.0122","0.0119","","","","0.0333","","","","","","1.2","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019642","9.9279","0.0009","8.855","0.0008","5.468","0.0006","90","","107.542","0.0011","90","","458.35","0.08","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","pyroxene","Sodium gallium germanate","","- Ga Ge2 Na O6 -","- Ga Ge2 Na O6 -","- Ga4 Ge8 Na4 O24 -","4","0.5","EG3165","Redhammer, Günther J.; Tippelt, Gerold","Pyroxene-type compounds Na<i>M</i>^3+^Ge~2~O~6~, with <i>M</i> = Ga, Mn, Sc and In","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017768","","","0.71073","MoKα","","0.0444","0.0285","","","","0.0561","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019643","9.3905","0.0002","19.108","0.0003","28.0829","0.0005","90","","90","","90","","5039.02","0.16","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Betulonic aldehyde, betulonal","Lup-20(29)-en-28-al-3-one","","- C30 H46 O2 -","- C30 H46 O2 -","- C240 H368 O16 -","8","2","KU3132","Chrobak, Elwira; Michalik, Ewa; Kusz, Joachim; Nowak, Maria; Boryczka, Stanisław","Polymorphic forms of lupane triterpenoid betulonic aldehyde (betulonal)","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017379","","","0.71073","MoKα","","0.0417","0.038","","","0.0958","0.0981","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019644","10.3987","0.0002","13.8559","0.0003","17.1632","0.0002","90","","90","","90","","2472.93","0.08","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Betulonic aldehyde, betulonal","Lup-20(29)-en-28-al-3-one","","- C30 H46 O2 -","- C30 H46 O2 -","- C120 H184 O8 -","4","1","KU3132","Chrobak, Elwira; Michalik, Ewa; Kusz, Joachim; Nowak, Maria; Boryczka, Stanisław","Polymorphic forms of lupane triterpenoid betulonic aldehyde (betulonal)","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017379","","","0.71073","MoKα","","0.038","0.0358","","","0.0919","0.0938","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019645","31.729","0.002","10.4118","0.0007","10.1697","0.0006","90","","97.7","0.007","90","","3329.3","0.4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-Bis(4-fluorophenyl)-1-phenyl-1<i>H</i>-pyrazole","","- C21 H14 F2 N2 -","- C21 H14 F2 N2 -","- C168 H112 F16 N16 -","8","1","SK3555","Samshuddin, Seranthimata; Jasinski, Jerry P.; Golen, James A.; Narayana, Badiadka; Yathirajan, Hemmige S.; Glidewell, Christopher","Hydrogen-bonded chains in 3,5-bis(4-fluorophenyl)-1-phenyl-1<i>H</i>-pyrazole and complex hydrogen-bonded sheets in (5<i>RS</i>,6<i>SR</i>)-6-(4-fluorobenzoyl)-5-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5,6-dihydro-4<i>H</i>-1,3,4-oxadiazine <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017707","","","1.54178","CuKα","","0.0722","0.066","","","0.1676","0.1744","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019646","17.5182","0.0007","7.4306","0.0003","17.5595","0.0007","90","","101.252","0.004","90","","2241.8","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5<i>RS</i>,6<i>SR</i>)-6-(4-Fluorobenzoyl)-5-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5,6-dihydro-4<i>H</i>-1,3,4-oxadiazine <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C25 H23 F2 N3 O4 -","- C25 H23 F2 N3 O4 -","- C100 H92 F8 N12 O16 -","4","1","SK3555","Samshuddin, Seranthimata; Jasinski, Jerry P.; Golen, James A.; Narayana, Badiadka; Yathirajan, Hemmige S.; Glidewell, Christopher","Hydrogen-bonded chains in 3,5-bis(4-fluorophenyl)-1-phenyl-1<i>H</i>-pyrazole and complex hydrogen-bonded sheets in (5<i>RS</i>,6<i>SR</i>)-6-(4-fluorobenzoyl)-5-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5,6-dihydro-4<i>H</i>-1,3,4-oxadiazine <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017707","","","1.54178","CuKα","","0.0525","0.0477","","","0.1372","0.1474","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019647","14.0913","0.0011","14.9503","0.0009","22.6588","0.0015","90","","102.3","0.007","90","","4663.9","0.6","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(Acetonitrile-κ<i>N</i>)({2-[2-(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane- κ^2^<i>P</i>,<i>P</i>')[2-(pyridin-4-yl-κ<i>N</i>)-1,3-benzoxazole]copper(I) hexafluoridophosphate","","- C50 H39 Cu F6 N3 O2 P3 -","- C50 H39 Cu F6 N3 O2 P3 -","- C200 H156 Cu4 F24 N12 O8 P12 -","4","1","BG3182","Xu, Kaijie; Hong, Mingwei; Zhang, Yicheng; Song, Li; Chai, Wenxiang","A new heteroleptic cuprous complex with strong yellow photoluminescence","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614018014","","","0.71073","MoKα","","0.1084","0.0528","","","0.1265","0.1595","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019648","16.474","0.004","13.189","0.003","15.113","0.004","90","","98.031","0.004","90","","3251.5","1.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-4-[(<i>Z</i>)-2-(4-methylphenyl)hydrazin-1-ylidene]-1-(3-nitrophenyl)-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C17 H15 N5 O3 -","- C17 H15 N5 O3 -","- C136 H120 N40 O24 -","8","2","YF3066","Alvarez-Thon, Luis; Bustos, Carlos; Molins, Elies; Garland, Maria Teresa; Baggio, Ricardo","On substituted pyrazole derivatives. I. 3-Methyl-4-[(Z)-2-(4-methylphenyl)hydrazin-1-ylidene]-1-(3-nitrophenyl)-1H-pyrazol-5(4H)-one and 3-methyl-4-[(Z)-2-(4-methylphenyl)hydrazin-1-ylidene]-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5(4H)-one","Acta Crystallographica Section C Structural Chemistry","2014","70","9","","","10.1107/S2053229614017173","","","0.71073","MoKα","","0.1224","0.0512","","","0.0944","0.1211","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019649","8.457","0.0004","9.8227","0.0005","11.2448","0.0006","103.327","0.002","107.761","0.002","100.242","0.002","834.03","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-Methyl-4-[(<i>Z</i>)-2-(4-methylphenyl)hydrazin-1-ylidene]-1-[4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C18 H15 F3 N4 O -","- C18 H15 F3 N4 O -","- C36 H30 F6 N8 O2 -","2","1","YF3066","Alvarez-Thon, Luis; Bustos, Carlos; Molins, Elies; Garland, Maria Teresa; Baggio, Ricardo","On substituted pyrazole derivatives. I. 3-Methyl-4-[(Z)-2-(4-methylphenyl)hydrazin-1-ylidene]-1-(3-nitrophenyl)-1H-pyrazol-5(4H)-one and 3-methyl-4-[(Z)-2-(4-methylphenyl)hydrazin-1-ylidene]-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5(4H)-one","Acta Crystallographica Section C Structural Chemistry","2014","70","9","","","10.1107/S2053229614017173","","","0.71073","MoKα","","0.079","0.06","","","0.1789","0.2068","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019650","10.316","0.001","19.7793","0.0019","10.6749","0.0011","90","","118.437","0.002","90","","1915.3","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[[di-μ~2~-acetato-1:2κ^2^<i>O</i>:<i>O</i>';3:4κ^2^<i>O</i>:<i>O</i>'-tetrakis[μ~3~-(pyridin-2-yl)methanolato-κ^2^<i>N</i>:<i>O</i>]-1:2:4κ^4^<i>N</i>,<i>O</i>:<i>O</i>:<i>O</i>;2:3:4κ^4^<i>N</i>,<i>O</i>:<i>O</i>:<i>O</i>;1:2:3κ^4^<i>O</i>:<i>O</i>:<i>N</i>,<i>O</i>;1:3:4κ^4^<i>O</i>:<i>O</i>:<i>N</i>,<i>O</i>-tetracopper(II)]-di-μ~2~-diacetamidato-1:4'κ^2^<i>N</i>^1^:<i>N</i>^5^;3:2'κ^2^<i>N</i>^1^:<i>N</i>^5^] acetonitrile monosolvate]","","- C34 H33 Cu4 N11 O8 -","- C34 H33 Cu4 N11 O8 -","- C68 H66 Cu8 N22 O16 -","2","1","BG3179","Lv, Hong-Mei; Wang, Su-Na; Li, Da-Cheng; Dou, Jian-Min","A one-dimensional coordination polymer with a capped [Cu~4~O~4~] cubane core assembled from 2-(hydroxymethyl)pyridine","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614016581","","","0.71073","MoKα","","0.0621","0.0467","","","0.1078","0.116","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019651","10.16","0.14","6.97","0.05","10.77","0.1","90","","114.4","0.4","90","","695","13","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Calcium pyrophosphate monohydrate","","- Ca2 H2 O8 P2 -","- Ca2 H2 O8 P2 -","- Ca8 H8 O32 P8 -","4","1","KU3136","Gras, Pierre; Ratel-Ramond, Nicolas; Teychéné, Sébastien; Rey, Christian; Elkaim, Erik; Biscans, Béatrice; Sarda, Stéphanie; Combes, Christèle","Structure of the calcium pyrophosphate monohydrate phase (Ca~2~P~2~O~7~·H~2~O): towards understanding the dehydration process in calcium pyrophosphate hydrates","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017446","","","0.71073","MoKα","","0.0812","0.0505","","","","0.1334","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019652","10.002","0.002","9.0293","0.0018","39.251","0.008","90","","95.17","0.03","90","","3530.4","1.2","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(1<i>R</i>,1'<i>R</i>,2<i>R</i>,2'<i>R</i>)-2,2'-Bis(diphenylphosphanyl)-1,1'-dicyclopentane](η^4^-norbornadiene)rhodium(I) tetrafluoroborate","","- C41 H44 B F4 P2 Rh -","- C41 H44 B F4 P2 Rh -","- C164 H176 B4 F16 P8 Rh4 -","4","2","EG3166","Meißner, Antje; Pribbenow, Cornelia; Drexler, Hans-Joachim; Heller, Detlef","Two precatalysts for application in asymmetric homogeneous hydrogenation","Acta Crystallographica Section C","2014","70","10","941","944","10.1107/S205322961401910X","","","0.71073","MoKα","","0.0781","0.0463","","","0.0951","0.1026","","","","","","0.833","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019653","10.2285","0.0002","13.9823","0.0003","14.5131","0.0004","90","","108.265","0.0012","90","","1971.06","0.08","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[(1<i>R</i>,1'<i>R</i>,2<i>R</i>,2'<i>R</i>)-2,2'-Bis(diphenylphosphanyl)-1,1'-dicyclopentane][η^4^-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-diene]rhodium(I) tetrafluoroborate dichloromethane monosolvate","","- C43 H50 B Cl2 F4 P2 Rh -","- C43 H50 B Cl2 F4 P2 Rh -","- C86 H100 B2 Cl4 F8 P4 Rh2 -","2","1","EG3166","Meißner, Antje; Pribbenow, Cornelia; Drexler, Hans-Joachim; Heller, Detlef","Two precatalysts for application in asymmetric homogeneous hydrogenation","Acta Crystallographica Section C","2014","70","10","941","944","10.1107/S205322961401910X","","","0.71073","MoKα","","0.0215","0.0201","","","0.0474","0.0481","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019654","8.2704","0.0017","9.927","0.002","11.729","0.002","95.99","0.03","101.66","0.03","97.16","0.03","927.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[aqua[μ~4~-2,2'-(diazene-1,2-diyl)dibenzoato]lead(II)] 1,2-bis(pyridin-4-yl)ethylene hemisolvate]","","- C40 H30 N6 O10 Pb2 -","- C40 H30 N6 O10 Pb2 -","- C40 H30 N6 O10 Pb2 -","1","0.5","QS3040","Ma, Fengji; Yu, Caixia; Wang, Huijuan; Zhao, Feng","The three-dimensional coordination polymer poly[[aqua[μ~4~-2,2'-(diazene-1,2-diyl)dibenzoato]lead(II)] 1,2-bis(pyridin-4-yl)ethylene hemisolvate]","Acta Crystallographica Section C","2014","70","10","934","936","10.1107/S2053229614017951","","","0.71073","MoKα","","0.018","0.0168","","","0.0405","0.041","","","","","","1.063","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2019655","3.6848","0.0001","10.0617","0.0002","18.9595","0.0004","90","","94.982","0.001","90","","700.27","0.03","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-1,3,4-thiadiazolium hydrogen oxalate","","- C4 H5 N3 O4 S -","- C4 H5 N3 O4 S -","- C16 H20 N12 O16 S4 -","4","1","FM3021","Matulková, Irena; Císařová, Ivana; Němec, Ivan; Fábry, Jan","Comparison of the hydrogen-bond patterns in 2-amino-1,3,4-thiadiazolium hydrogen oxalate, 2-amino-1,3,4-thiadiazole‒succinic acid (1/2), 2-amino-1,3,4-thiadiazole‒glutaric acid (1/1) and 2-amino-1,3,4-thiadiazole‒adipic acid (1/1)","Acta Crystallographica Section C","2014","70","10","927","933","10.1107/S2053229614018269","","","0.71073","MoKα","","0.0257","0.0228","","","0.066","0.0673","","","","","","2.13","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019656","11.9022","0.0003","5.3284","0.0002","14.3267","0.0004","90","","96.375","0.001","90","","902.98","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-1,3,4-thiadiazole‒succinic acid (1/2)","","- C10 H15 N3 O8 S -","- C6 H9 N3 O4 S -","- C24 H36 N12 O16 S4 -","4","1","FM3021","Matulková, Irena; Císařová, Ivana; Němec, Ivan; Fábry, Jan","Comparison of the hydrogen-bond patterns in 2-amino-1,3,4-thiadiazolium hydrogen oxalate, 2-amino-1,3,4-thiadiazole‒succinic acid (1/2), 2-amino-1,3,4-thiadiazole‒glutaric acid (1/1) and 2-amino-1,3,4-thiadiazole‒adipic acid (1/1)","Acta Crystallographica Section C","2014","70","10","927","933","10.1107/S2053229614018269","","","0.71073","MoKα","","0.0349","0.03","","","0.0781","0.081","","","","","","2.23","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019657","7.162","0.0002","10.0096","0.0002","27.8847","0.0007","90","","90","","90","","1999.02","0.09","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Amino-1,3,4-thiadiazole‒glutaric acid (1/1)","","- C7 H11 N3 O4 S -","- C7 H11 N3 O4 S -","- C56 H88 N24 O32 S8 -","8","1","FM3021","Matulková, Irena; Císařová, Ivana; Němec, Ivan; Fábry, Jan","Comparison of the hydrogen-bond patterns in 2-amino-1,3,4-thiadiazolium hydrogen oxalate, 2-amino-1,3,4-thiadiazole‒succinic acid (1/2), 2-amino-1,3,4-thiadiazole‒glutaric acid (1/1) and 2-amino-1,3,4-thiadiazole‒adipic acid (1/1)","Acta Crystallographica Section C","2014","70","10","927","933","10.1107/S2053229614018269","","","0.71073","MoKα","","0.0361","0.0275","","","0.0646","0.0674","","","","","","1.66","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019658","11.179","0.0002","10.2187","0.0002","9.6532","0.0002","90","","98.116","0.001","90","","1091.69","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-1,3,4-thiadiazole‒adipic acid (1/1)","","- C8 H13 N3 O4 S -","- C8 H13 N3 O4 S -","- C32 H52 N12 O16 S4 -","4","1","FM3021","Matulková, Irena; Císařová, Ivana; Němec, Ivan; Fábry, Jan","Comparison of the hydrogen-bond patterns in 2-amino-1,3,4-thiadiazolium hydrogen oxalate, 2-amino-1,3,4-thiadiazole‒succinic acid (1/2), 2-amino-1,3,4-thiadiazole‒glutaric acid (1/1) and 2-amino-1,3,4-thiadiazole‒adipic acid (1/1)","Acta Crystallographica Section C","2014","70","10","927","933","10.1107/S2053229614018269","","","0.71073","MoKα","","0.038","0.0292","","","0.0729","0.0754","","","","","","1.88","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019659","8.6557","0.0004","14.0058","0.0007","16.4804","0.0011","111.036","0.001","99.971","0.001","97.835","0.001","1793.28","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Triethyl 4,4',4''-[benzene-1,3,5-triyltris(ethyne-2,1-diyl)]tribenzoate deuterochloroform monosolvate","","- C40 H30 Cl3 D O6 -","- C40 H30 Cl3 D O6 -","- C80 H60 Cl6 D2 O12 -","2","1","WQ3071","Knežević, Nikola Ž.; Novaković, Sladjana B.; Bogdanović, Goran A.","Monomolecular sheets of propeller-shaped triethyl 4,4',4''-[benzene-1,3,5-triyltris(ethyne-2,1-diyl)]tribenzoate deuterochloroform monosolvate","Acta Crystallographica Section C","2014","70","10","937","940","10.1107/S2053229614019147","","","0.71073","MoKα","","0.0638","0.0451","","","0.1203","0.1304","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019660","15.504","0.005","17.105","0.006","4.4705","0.0013","90","","90","","90","","1185.6","0.7","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","Heptacerium docosazinc silicon","","- Ce7 Si1.05 Zn21.95 -","- Ce7 Si1.054 Zn21.946 -","- Ce14 Si2.108 Zn43.892 -","2","0.25","FN3179","Hoos, James; Suen, Nian-Tzu; Bobev, Svilen","Synthesis and crystal structures of <i>RE</i>~7~Zn~21+<i>x~</i>Si~2{‒~<i>x</i>} [<i>RE</i> = Ce, Pr, and Nd; 0.09(1) < <i>x</i> < 0.95(1)]","Acta Crystallographica Section C","2014","70","10","945","948","10.1107/S2053229614019822","","","0.71073","MoKα","","0.03","0.0218","","","0.0321","0.0341","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019661","15.361","0.002","16.984","0.002","4.4555","0.0006","90","","90","","90","","1162.4","0.3","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","Heptapraseodymium henicosazinc disilicon","","- Pr7 Si1.91 Zn21.09 -","- Pr7 Si1.914 Zn21.086 -","- Pr14 Si3.828 Zn42.172 -","2","0.25","","Hoos, James; Suen, Nian-Tzu; Bobev, Svilen","Synthesis and crystal structures of <i>RE</i>~7~Zn~21+<i>x~</i>Si~2{‒~<i>x</i>} [<i>RE</i> = Ce, Pr, and Nd; 0.09(1) < <i>x</i> < 0.95(1)]","Acta Crystallographica Section C","2014","70","10","945","948","10.1107/S2053229614019822","","","0.71073","MoKα","","0.0446","0.0275","","","0.0446","0.0495","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019662","15.345","0.002","17.001","0.002","4.433","0.0006","90","","90","","90","","1156.5","0.3","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","Heptaneodymium docosazinc silicon","","- Nd7 Si1.47 Zn21.53 -","- Nd7 Si1.472 Zn21.528 -","- Nd14 Si2.944 Zn43.056 -","2","0.25","","Hoos, James; Suen, Nian-Tzu; Bobev, Svilen","Synthesis and crystal structures of <i>RE</i>~7~Zn~21+<i>x~</i>Si~2{‒~<i>x</i>} [<i>RE</i> = Ce, Pr, and Nd; 0.09(1) < <i>x</i> < 0.95(1)]","Acta Crystallographica Section C","2014","70","10","945","948","10.1107/S2053229614019822","","","0.71073","MoKα","","0.0661","0.035","","","0.0504","0.059","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019663","7.4541","0.0015","9.4918","0.0019","9.7287","0.0019","90","","90","","90","","688.3","0.2","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Gly-L-Ala","Glycyl-<i>L</i>-alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Capelli, Silvia C.; Bürgi, Hans-Beat; Mason, Sax A.; Jayatilaka, Dylan","Glycyl-<small>L</small>-alanine: a multi-temperature neutron study","Acta Crystallographica Section C","2014","70","10","949","952","10.1107/S2053229614019809","","","0.8313","","","0.0634","0.0482","","","0.0958","0.1064","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019664","7.4587","0.0007","9.4928","0.0009","9.725","0.0009","90","","90","","90","","688.57","0.11","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Gly-L-Ala","Glycyl-<i>L</i>-alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Capelli, Silvia C.; Bürgi, Hans-Beat; Mason, Sax A.; Jayatilaka, Dylan","Glycyl-<small>L</small>-alanine: a multi-temperature neutron study","Acta Crystallographica Section C","2014","70","10","949","952","10.1107/S2053229614019809","","","0.8313","","","0.0519","0.0416","","","0.0798","0.0841","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019665","7.4871","0.0016","9.4966","0.0019","9.7078","0.0019","90","","90","","90","","690.2","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Gly-L-Ala","Glycyl-<i>L</i>-alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Capelli, Silvia C.; Bürgi, Hans-Beat; Mason, Sax A.; Jayatilaka, Dylan","Glycyl-<small>L</small>-alanine: a multi-temperature neutron study","Acta Crystallographica Section C","2014","70","10","949","952","10.1107/S2053229614019809","","","0.8313","","","0.0591","0.0446","","","0.0754","0.0807","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019666","7.5302","0.0011","9.5115","0.0016","9.6855","0.0014","90","","90","","90","","693.71","0.18","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Gly-L-Ala","Glycyl-<i>L</i>-alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Capelli, Silvia C.; Bürgi, Hans-Beat; Mason, Sax A.; Jayatilaka, Dylan","Glycyl-<small>L</small>-alanine: a multi-temperature neutron study","Acta Crystallographica Section C","2014","70","10","949","952","10.1107/S2053229614019809","","","0.8313","","","0.0901","0.061","","","0.0913","0.1019","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019667","7.0232","0.0003","21.1563","0.0008","7.9679","0.0003","90","","104.428","0.0004","90","","1146.57","0.08","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Methyl parathion","Dimethyl 4-nitrophenyl phosphorothioate","","- C8 H10 N O5 P S -","- C8 H10 N O5 P S -","- C32 H40 N4 O20 P4 S4 -","4","1","QS3043","Baughman, Russell G.; Hall, Gabriel B.","Two organophosphorus pesticides: methyl parathion and dicapthon","Acta Crystallographica Section C","2014","70","10","975","977","10.1107/S2053229614020233","","","0.71073","MoKα","","0.0263","0.0251","","","0.067","0.0678","","","","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019668","10.9108","0.0014","17.0968","0.0019","6.894","0.0006","90","","101.65","0.05","90","","1259.5","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Dicapthon","2-Chloro-4-nitrophenyl dimethyl phosphorothioate","","- C8 H9 Cl N O5 P S -","- C8 H9 Cl N O5 P S -","- C32 H36 Cl4 N4 O20 P4 S4 -","4","1","QS3043","Baughman, Russell G.; Hall, Gabriel B.","Two organophosphorus pesticides: methyl parathion and dicapthon","Acta Crystallographica Section C","2014","70","10","975","977","10.1107/S2053229614020233","","","0.71073","MoKα","","0.0441","0.0347","","","0.0919","0.0981","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019669","7.575","0.005","11.41","0.005","10.106","0.005","90","","90","","90","","873.5","0.8","294","2","294","2","","","","","","","","5","P m n 21","P 2ac -2","31","","Poly[diaqua(μ~2~-benzene-1,2-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^2^)(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')cobalt(II)]","","- C18 H16 Co N2 O6 -","- C18 H12 Co N2 O6 -","- C36 H24 Co2 N4 O12 -","2","0.5","SK3564","Harvey, Miguel Angel; Suarez, Sebastián; Cukiernik, Fabio D.; Baggio, Ricardo","The topotactic dehydration of monoclinic {[Co(pht)(bpy)(H~2~O)~2~]·2H~2~O}~<i>n~</i> into orthorhombic [Co(pht)(bpy)(H~2~O)~2~]~<i>n~</i> (pht is phthalate and bpy is 4,4'-bipyridine)","Acta Crystallographica Section C","2014","70","10","978","982","10.1107/S2053229614020427","","","0.71073","MoKα","","0.0979","0.0635","","","0.1484","0.1705","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019670","16.406","0.002","13.8849","0.0017","21.57","0.003","90","","93.458","0.002","90","","4904.6","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3,5,7,9,11,13,15-Octaphenylpentacyclo[9.5.1.1^3,9^.1^5,15^.1^7,13^]octasiloxane","","- C48 H40 O12 Si8 -","- C48 H40 O12 Si8 -","- C192 H160 O48 Si32 -","4","0.5","FN3178","Chinnam, Parameswara Rao; Gau, Michael R.; Schwab, Joseph; Zdilla, Michael J.; Wunder, Stephanie L.","The polyoctahedral silsesquioxane (POSS) 1,3,5,7,9,11,13,15-octaphenylpentacyclo[9.5.1.1^3,9^.1^5,15^.1^7,13^]octasiloxane (octaphenyl-POSS)","Acta Crystallographica Section C","2014","70","10","971","974","10.1107/S2053229614019834","","","0.71073","MoKα","","0.0388","0.0351","","","0.0919","0.0947","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019671","21.8864","0.0009","11.2268","0.0004","24.267","0.0009","90","","90","","90","","5962.7","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1<i>RS</i>,2<i>SR</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>)-3,5-Bis(4-fluorophenyl)-2,4-bis(pyridine-2-carbonyl)1-(pyridin-2-yl)cyclohexanol","","- C35 H27 F2 N3 O3 -","- C35 H27 F2 N3 O3 -","- C280 H216 F16 N24 O24 -","8","1","SK3563","Samshuddin, Seranthimata; Jasinski, Jerry P.; Butcher, Ray J.; Neuhardt, Elizabeth A.; Narayana, Badiadka; Yathirajan, Hemmige S.; Glidewell, Christopher","Three closely-related cyclohexanols (C~35~H~27~<i>X</i>~2~N~3~O~3~; <i>X</i> = F, Cl or Br): similar molecular structures but different crystal structures","Acta Crystallographica Section C","2014","70","10","953","959","10.1107/S2053229614019937","","","1.54178","CuKα","","0.0594","0.0458","","","0.1192","0.1305","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019672","16.5446","0.0006","53.4204","0.0017","15.5857","0.0004","90","","90","","90","","13774.9","0.8","200","2","200","2","","","","","","","","5","F d d 2","F 2 -2d","43","","(1<i>RS</i>,2<i>SR</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>)-3,5-Bis(4-chlorophenyl)-2,4-bis(pyridine-2-carbonyl)-1-(pyridin-2-yl)cyclohexanol acetone 0.951-solvate","","- C37.853 H32.706 Cl2 N3 O3.951 -","- C37.853 H32.706 Cl2 N3 O3.951 -","- C605.648 H523.296 Cl32 N48 O63.216 -","16","1","SK3563","Samshuddin, Seranthimata; Jasinski, Jerry P.; Butcher, Ray J.; Neuhardt, Elizabeth A.; Narayana, Badiadka; Yathirajan, Hemmige S.; Glidewell, Christopher","Three closely-related cyclohexanols (C~35~H~27~<i>X</i>~2~N~3~O~3~; <i>X</i> = F, Cl or Br): similar molecular structures but different crystal structures","Acta Crystallographica Section C","2014","70","10","953","959","10.1107/S2053229614019937","","","1.54178","CuKα","","0.0467","0.039","","","0.1046","0.1091","","","","","","0.969","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019673","9.5741","0.0004","10.7061","0.0003","15.9952","0.0006","92.863","0.003","97.443","0.003","103.618","0.003","1574.5","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(1<i>RS</i>,2<i>SR</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>)- 3,5-Bis(4-bromophenyl)-2,4-bis(pyridine-2-carbonyl)-1-(pyridin-2-yl)cyclohexanol","","- C35 H27 Br2 N3 O3 -","- C35 H27 Br2 N3 O3 -","- C70 H54 Br4 N6 O6 -","2","1","SK3563","Samshuddin, Seranthimata; Jasinski, Jerry P.; Butcher, Ray J.; Neuhardt, Elizabeth A.; Narayana, Badiadka; Yathirajan, Hemmige S.; Glidewell, Christopher","Three closely-related cyclohexanols (C~35~H~27~<i>X</i>~2~N~3~O~3~; <i>X</i> = F, Cl or Br): similar molecular structures but different crystal structures","Acta Crystallographica Section C","2014","70","10","953","959","10.1107/S2053229614019937","","","1.54178","CuKα","","0.0544","0.0464","","","0.1339","0.1405","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019674","19.479","0.004","6.9971","0.0014","13.235","0.003","90","","132.52","0.03","90","","1329.5","0.8","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Poly[[(μ~4~-5-aminotetrazolato-\ κ^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^:<i>N</i>^4^:)chlorido-μ~3~-\ hydroxido-(μ~3~-isonicotinato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>')dicadmium(II)] 0.14-hydrate]","","- C7 H7.28 Cd2 Cl N6 O3.14 -","- C7 H7 Cd2 Cl N6 O3.142 -","- C28 H28 Cd8 Cl4 N24 O12.568 -","4","0.5","SK3551","Wang, Yao; Guan, Ying-Fang; Liu, Jian-Jun; Huang, Chang-Cang","A pillared framework coordination polymer based on the Cd~3~(μ~3~-OH) unit: poly[[(μ~4~-5-aminotetrazolato-κ^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^:<i>N</i>^4^)chlorido-μ~3~-hydroxido-(μ~3~-isonicotinato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>')dicadmium(II)] 0.14-hydrate]","Acta Crystallographica Section C","2014","70","10","983","986","10.1107/S205322961402052X","","","0.71073","MoKα","","0.0184","0.0169","","","0.039","0.0395","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019675","8.4573","0.0017","19.181","0.004","10.936","0.002","90","","103.74","0.03","90","","1723.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetramethyl 4,4'-(ethane-1,2-diylidene)bis(5-oxo-1-mesityl-4,5-dihydro-1<i>H</i>-pyrrole-2,3-dicarboxylate)","Tetramethyl 4,4'-(ethane-1,2-diylidene)bis[5-oxo-1-(2,4,6-trimethylphenyl)-4,5-dihydro-1<i>H</i>-pyrrole-2,3-dicarboxylate]","","- C36 H36 N2 O10 -","- C36 H36 N2 O10 -","- C72 H72 N4 O20 -","2","0.5","FN3174","Liu, Qi; Song, Xiu-Qing; Yan, Hong","NMR analysis of a series of 1,2-bis(1-<i>R</i>-5-oxo-2,3-dihydro-1<i>H</i>-pyrrol-4-ylidene)ethanes and X-ray crystal structure analysis of the <i>R</i> = mesityl compound","Acta Crystallographica Section C","2014","70","10","965","970","10.1107/S2053229614020099","","","0.71073","MoKα","","0.092","0.0677","","","0.1779","0.1977","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019676","11.1299","0.001","13.1194","0.0012","23.797","0.002","90","","90","","90","","3474.8","0.5","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']copper(II) <i>p</i>-xylene <i>n</i>-solvate","","- C38 H12 Cu F20 O4 -","- C38 H12 Cu F20 O4 -","- C152 H48 Cu4 F80 O16 -","4","0.5","SK3552","Hori, Akiko; Nakajima, Kyosuke; Yuge, Hidetaka","Three <i>p</i>-xylene-solvated pseudopolymorphs of bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II)","Acta Crystallographica Section C","2014","70","10","960","964","10.1107/S2053229614020294","","","0.71073","MoKα","","0.0465","0.0308","","","0.0722","0.0794","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019677","7.5688","0.0004","11.8976","0.0006","12.2578","0.0006","90.7758","0.0005","99.1187","0.0005","105.847","0.0005","1046.57","0.09","120","","120","","","","","","","","","5","P -1","-P 1","2","","Bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']copper(II) <i>p</i>-xylene disolvate","","- C46 H22 Cu F20 O4 -","- C46 H22 Cu F20 O4 -","- C46 H22 Cu F20 O4 -","1","0.5","SK3552","Hori, Akiko; Nakajima, Kyosuke; Yuge, Hidetaka","Three <i>p</i>-xylene-solvated pseudopolymorphs of bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II)","Acta Crystallographica Section C","2014","70","10","960","964","10.1107/S2053229614020294","","","0.71073","MoKα","","0.0275","0.0265","","","0.0735","0.0741","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019678","13.8034","0.0016","14.2545","0.0017","14.9313","0.0017","90","","108.061","0.0013","90","","2793.1","0.6","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","Bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']copper(II) <i>p</i>-xylene tetrasolvate","","- C62 H42 Cu F20 O4 -","- C62 H42 Cu F20 O4 -","- C124 H84 Cu2 F40 O8 -","2","1","SK3552","Hori, Akiko; Nakajima, Kyosuke; Yuge, Hidetaka","Three <i>p</i>-xylene-solvated pseudopolymorphs of bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II)","Acta Crystallographica Section C","2014","70","10","960","964","10.1107/S2053229614020294","","","0.71073","MoKα","","0.0552","0.0395","","","0.0857","0.0927","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019679","7.6371","0.0002","19.0042","0.0006","5.67758","0.00014","90","","90","","90","","824.03","0.04","100","0.1","100","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","9<i>H</i>-carbazole","","- C12 H9 N -","- C12 H9 N -","- C48 H36 N4 -","4","0.5","KY3061","Gajda, Katarzyna; Zarychta, Bartosz; Kopka, Katarzyna; Daszkiewicz, Zdzisław; Ejsmont, Krzysztof","Substituent effects in nitro derivatives of carbazoles investigated by comparison of low-temperature crystallographic studies with density functional theory (DFT) calculations","Acta Crystallographica Section C","2014","70","10","987","991","10.1107/S2053229614020634","","","0.71073","MoKα","","0.0385","0.0327","","","0.0898","0.0929","","","","","","1.077","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019680","10.4341","0.0009","5.3101","0.0004","17.2566","0.0014","90","","99.951","0.008","90","","941.74","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-nitro-9<i>H</i>-carbazole","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C48 H32 N8 O8 -","4","1","KY3061","Gajda, Katarzyna; Zarychta, Bartosz; Kopka, Katarzyna; Daszkiewicz, Zdzisław; Ejsmont, Krzysztof","Substituent effects in nitro derivatives of carbazoles investigated by comparison of low-temperature crystallographic studies with density functional theory (DFT) calculations","Acta Crystallographica Section C","2014","70","10","987","991","10.1107/S2053229614020634","","","0.71073","MoKα","","0.0912","0.0526","","","0.1192","0.1315","","","","","","0.94","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019681","14.7742","0.0007","7.2681","0.0003","17.2792","0.0008","90","","90","","90","","1855.45","0.14","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-nitro-carbazole","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C96 H64 N16 O16 -","8","1","KY3061","Gajda, Katarzyna; Zarychta, Bartosz; Kopka, Katarzyna; Daszkiewicz, Zdzisław; Ejsmont, Krzysztof","Substituent effects in nitro derivatives of carbazoles investigated by comparison of low-temperature crystallographic studies with density functional theory (DFT) calculations","Acta Crystallographica Section C","2014","70","10","987","991","10.1107/S2053229614020634","","","0.71073","MoKα","","0.0672","0.034","","","0.0743","0.0804","","","","","","0.855","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019682","14.7042","0.0004","14.0074","0.0004","37.95","0.0009","90","","90","","90","","7816.5","0.4","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","catena-poly[bis[μ~3~-(2-methylbenzimidazol-1-yl)acetato]cadmium(II)]","","- C20 H18 Cd N4 O4 -","- C20 H18 Cd N4 O4 -","- C320 H288 Cd16 N64 O64 -","16","1","WQ3072","Li, Qiang; Wang, Hui-Ting; Ye, Qiong","One- and two-dimensional Cd^II^ coordination polymers constructed from 2-(2-methyl-1<i>H</i>-benzimidazol-1-yl)acetate ligands","Acta Crystallographica Section C","2014","70","10","992","997","10.1107/S2053229614020853","","","0.71073","MoKα","","0.0388","0.0296","","","0.0649","0.0678","","","","","","1.138","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019683","11.476","0.007","11.641","0.007","14.064","0.013","90","","90.701","0.014","90","","1879","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[bis[μ~3~-(2-methylbenzimidazol-1-yl)acetato]cadmium(II)]","","- C20 H18 Cd N4 O4 -","- C20 H18 Cd N4 O4 -","- C80 H72 Cd4 N16 O16 -","4","0.5","WQ3072","Li, Qiang; Wang, Hui-Ting; Ye, Qiong","One- and two-dimensional Cd^II^ coordination polymers constructed from 2-(2-methyl-1<i>H</i>-benzimidazol-1-yl)acetate ligands","Acta Crystallographica Section C","2014","70","10","992","997","10.1107/S2053229614020853","","","0.71073","MoKα","","0.0741","0.0662","","","0.1895","0.1953","","","","","","1.229","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019684","8.8477","0.0006","9.7545","0.0006","10.0198","0.0007","79.993","0.002","77.973","0.002","83.658","0.002","830.43","0.1","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","N,N,N',N'-tetraethyl-N''-(4-fluorobenzoyl)phosphoric triamide","","- C15 H25 F N3 O2 P -","- C15 H25 F N3 O2 P -","- C30 H50 F2 N6 O4 P2 -","2","1","UK3104","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.","Three new phosphoric triamides with a [C(O)NH]P(O)[N(C)(C)]~2~ skeleton: a database analysis of C—N—C and P—N—C bond angles","Acta Crystallographica Section C","2014","70","10","998","1002","10.1107/S2053229614020488","","","0.71073","MoKα","","0.0363","0.0326","","","0.0851","0.0891","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019685","9.6501","0.0012","10.058","0.0013","10.9947","0.0015","75.392","0.003","77.744","0.004","88.084","0.004","1008.9","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","N-(2,6-difluorobenzoyl)-N',N''-bis(4-methylpiperidin-1-yl)phosphoric triamide","","- C19 H28 F2 N3 O2 P -","- C19 H28 F2 N3 O2 P -","- C38 H56 F4 N6 O4 P2 -","2","1","UK3104","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.","Three new phosphoric triamides with a [C(O)NH]P(O)[N(C)(C)]~2~ skeleton: a database analysis of C—N—C and P—N—C bond angles","Acta Crystallographica Section C","2014","70","10","998","1002","10.1107/S2053229614020488","","","0.71073","MoKα","","0.0421","0.0335","","","0.0821","0.0869","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019686","10.3245","0.0002","10.5131","0.0002","11.3253","0.0002","67.915","0.001","77.902","0.001","79.978","0.001","1107.61","0.04","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","N,N'-dicyclohexyl-N''-(2-fluorobenzoyl)-N,N'-dimethylphosphoric triamide","","- C21 H33 F N3 O2 P -","- C21 H33 F N3 O2 P -","- C42 H66 F2 N6 O4 P2 -","2","1","UK3104","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.","Three new phosphoric triamides with a [C(O)NH]P(O)[N(C)(C)]~2~ skeleton: a database analysis of C—N—C and P—N—C bond angles","Acta Crystallographica Section C","2014","70","10","998","1002","10.1107/S2053229614020488","","","1.54178","CuKα","","0.0393","0.0386","","","0.1018","0.1025","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019687","14.2636","0.0006","16.6789","0.0006","6.0084","0.0002","90","","90","","90","","1429.41","0.09","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(2<i>E</i>)-3-(6-Methoxynaphthalen-2-yl)-1-(pyridin-3-yl)prop-2-en-1-one","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","SK3565","Nayak, Prakash S.; Narayana, Badiadka; Yathirajan, Hemmige S.; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","(2<i>E</i>)-3-(6-Methoxynaphthalen-2-yl)-1-(pyridin-3-yl)prop-2-en-1-one and its cyclocondensation product with guanidine, (4<i>RS</i>)-2-amino-4-(6-methoxynaphthalen-2-yl)-6-(pyridin-3-yl)-3,4-dihydropyrimidine monohydrate: two types of hydrogen-bonded sheet","Acta Crystallographica Section C","2014","70","11","1011","1016","10.1107/S2053229614021524","","","0.71073","MoKα","","0.0407","0.0354","","","0.0968","0.0998","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019688","17.2244","0.0005","5.9552","0.0002","18.5173","0.0006","90","","112.83","0.001","90","","1750.61","0.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>RS</i>)-2-Amino-4-(6-methoxynaphthalen-2-yl)-6-(pyridin-3-yl)-3,4-dihydropyrimidine monohydrate","","- C20 H20 N4 O2 -","- C20 H20 N4 O2 -","- C80 H80 N16 O8 -","4","1","SK3565","Nayak, Prakash S.; Narayana, Badiadka; Yathirajan, Hemmige S.; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","(2<i>E</i>)-3-(6-Methoxynaphthalen-2-yl)-1-(pyridin-3-yl)prop-2-en-1-one and its cyclocondensation product with guanidine, (4<i>RS</i>)-2-amino-4-(6-methoxynaphthalen-2-yl)-6-(pyridin-3-yl)-3,4-dihydropyrimidine monohydrate: two types of hydrogen-bonded sheet","Acta Crystallographica Section C","2014","70","11","1011","1016","10.1107/S2053229614021524","","","0.71073","MoKα","","0.0499","0.0408","","","0.1084","0.1161","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019689","5.3891","0.0003","28.3231","0.0013","9.2503","0.0004","90","","95.434","0.003","90","","1405.58","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-2(-4-Phenoxyphenylmethyl)thiirane","(<i>R</i>)-2-(4-Phenoxyphenylsulfonylmethyl)thiirane","","- C15 H14 O3 S2 -","- C15 H14 O3 S2 -","- C60 H56 O12 S8 -","4","2","FA3348","Lee, Mijoon; Hesek, Dusan; Noll, Bruce C.; Oliver, Allen G.; Mobashery, Shahriar","Enantiomers of a selective gelatinase inhibitor: (<i>R</i>)- and (<i>S</i>)-2-[(4-phenoxyphenyl)sulfonylmethyl]thiirane","Acta Crystallographica Section C","2014","70","11","1003","1006","10.1107/S2053229614021214","","","1.54178","CuKα","","0.0457","0.0378","","","0.092","0.0966","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019690","5.3887","0.0003","28.3506","0.0012","9.2463","0.0004","90","","95.463","0.003","90","","1406.17","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-(4-Phenoxyphenylsulfonylmethyl)thiirane","(<i>S</i>)-2-(4-Phenoxyphenylsulfonylmethyl)thiirane","","- C15 H14 O3 S2 -","- C15 H14 O3 S2 -","- C60 H56 O12 S8 -","4","2","FA3348","Lee, Mijoon; Hesek, Dusan; Noll, Bruce C.; Oliver, Allen G.; Mobashery, Shahriar","Enantiomers of a selective gelatinase inhibitor: (<i>R</i>)- and (<i>S</i>)-2-[(4-phenoxyphenyl)sulfonylmethyl]thiirane","Acta Crystallographica Section C","2014","70","11","1003","1006","10.1107/S2053229614021214","","","1.54178","CuKα","","0.0616","0.0536","","","0.1392","0.1427","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019691","12.736","0.003","20.481","0.004","10.038","0.002","90","","90","","90","","2618.4","1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","1-ethyl-3-methylimidazolium heptabromidopentacupprate(I)","<i>catena</i>-Poly[bis(1-ethyl-3-methylimidazolium) [μ~5~-bromido-tri-μ~3~-bromido-tri-μ~2~-bromido-pentacuprate(I)]]","","- C12 H22 Br7 Cu5 N4 -","- C12 H22 Br7 Cu5 N4 -","- C48 H88 Br28 Cu20 N16 -","4","0.5","BG3188","Karanović, Ljiljana; Poleti, Dejan; Dordević, Tamara","Ionothermal synthesis and crystal structure of a new organic‒inorganic hybrid compound: <i>catena</i>-poly[bis(1-ethyl-3-methylimidazolium) [hepta-μ-bromido-pentacuprate(I)]]","Acta Crystallographica Section C","2014","70","11","1021","1024","10.1107/S205322961402172X","","","0.71073","MoKα","","0.0555","0.0317","","","0.061","0.0691","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019692","4.8046","0.0009","13.072","0.002","15.357","0.003","89.785","0.002","89.66","0.002","86.666","0.002","962.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[(μ-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')(pentafluorobenzoato-κ<i>O</i>)(μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'</i>)copper(II)]:","","- C18 H4 Cu F10 N2 O4 -","- C18 H4 Cu F10 N2 O4 -","- C36 H8 Cu2 F20 N4 O8 -","2","1","DT3026","Han, Li-Juan; Kong, Ya-Jie","Poly[(μ-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')(pentafluorobenzoato-κ<i>O</i>)(μ-pyrazine-κ^2^<i>N</i>:<i>N</i>')copper(II)]: a coordination polymer linked into a three-dimensional network by intermolecular C—H···F—C interactions","Acta Crystallographica Section C","2014","70","11","1017","1020","10.1107/S2053229614021536","","","0.71073","MoKα","","0.0492","0.0343","","","0.0842","0.1001","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019693","4.81","0.0012","13.095","0.003","15.366","0.004","89.784","0.003","89.654","0.003","86.678","0.003","966.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[(μ-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')(pentafluorobenzoato-κ<i>O</i>)(μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'</i>)copper(II)]:","","- C18 H4 Cu F10 N2 O4 -","- C18 H4 Cu F10 N2 O4 -","- C36 H8 Cu2 F20 N4 O8 -","2","1","DT3026","Han, Li-Juan; Kong, Ya-Jie","Poly[(μ-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')(pentafluorobenzoato-κ<i>O</i>)(μ-pyrazine-κ^2^<i>N</i>:<i>N</i>')copper(II)]: a coordination polymer linked into a three-dimensional network by intermolecular C—H···F—C interactions","Acta Crystallographica Section C","2014","70","11","1017","1020","10.1107/S2053229614021536","","","0.71073","MoKα","","0.0413","0.0369","","","0.098","0.1015","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019694","5.335","0.004","18.437","0.014","16.471","0.012","90","","90.488","0.01","90","","1620","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[di-μ~2~-aqua-{μ~2~-1,4-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-\ κ^2^<i>N</i>^4^:<i>N</i>^4'^}di-μ~3~-terephthalato-\ κ^3^<i>O</i>:<i>O</i>':<i>O</i>''-dicadmium(II)]","","- C16 H16 Cd N3 O5 -","- C16 H16 Cd N3 O5 -","- C64 H64 Cd4 N12 O20 -","4","1","SK3554","Shen, Hong","A three-dimensional Cd^II^ coordination framework: poly[di-μ~2~-aqua-{μ~2~-1,4-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^}di-μ~3~-terephthalato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''-dicadmium(II)]","Acta Crystallographica Section C","2014","70","11","1025","1028","10.1107/S2053229614020610","","","0.71073","MoKα","","0.0596","0.0381","","","0.0757","0.0838","","","","","","0.945","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019695","15.429","0.002","11.5947","0.0017","18.36","0.003","90","","101.23","0.003","90","","3221.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[diacetonitrilediaqua[μ~2~-3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine-κ^4^<i>N</i>^1^,<i>N</i>^6^:<i>N</i>^3^,<i>N</i>^4^]tetra-μ-cyanido-tetracyanidodimanganese(II)molybdate(IV)] dihydrate]","","- C24 H22 Mn2 Mo N16 O4 -","- C24 H22 Mn2 Mo N16 O4 -","- C96 H88 Mn8 Mo4 N64 O16 -","4","0.5","WQ3073","Xu, Xiao-Juan","A three-dimensional cyanide-bridged heterometallic coordination polymer: poly[[diacetonitrilediaqua[μ~2~-3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine-κ^4^<i>N</i>^1^,<i>N</i>^6^:<i>N</i>^3^,<i>N</i>^4^]tetra-μ-cyanido-tetracyanidodimanganese(II)molybdate(IV)] dihydrate]","Acta Crystallographica Section C","2014","70","11","1029","1032","10.1107/S2053229614020117","","","0.71073","MoKα","","0.0581","0.0525","","","0.1294","0.1306","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019696","8.929","0.002","8.982","0.002","11.777","0.003","99.926","0.003","106.081","0.003","91.596","0.003","891.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[dichlorido(μ~2~-1,4-phenylenediacetato-κ^2^<i>O</i>:<i>O</i>')bis{μ~2~-1,3-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}dizinc(II)]","","- C17 H16 Cl N6 O2 Zn -","- C17 H16 Cl N6 O2 Zn -","- C34 H32 Cl2 N12 O4 Zn2 -","2","1","WQ3075","Xu, Xiao-Juan","A one-dimensional Zn^II^ coordination polymer: poly[dichlorido(μ~2~-1,4-phenylenediacetato-κ^2^<i>O</i>:<i>O</i>')bis{μ~2~-1,3-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}dizinc(II)]","Acta Crystallographica Section C","2014","70","11","1033","1035","10.1107/S2053229614022177","","","0.71073","MoKα","","0.0959","0.0579","","","0.1287","0.1464","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019697","13.535","0.005","18.982","0.005","19.08","0.005","90","","90.06","0.005","90","","4902","3","123","2","123","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tricaesium sodium nonagermanide‒ammonia (1/5.3)","","- Cs3.2 Ge9 H15.89 N5.3 Na0.8 -","- Cs3.205 Ge9 N5.295 Na0.795 -","- Cs25.64 Ge72 N42.36 Na6.36 -","8","2","FN3177","Gärtner, Stefanie; Suchentrunk, Christof; Korber, Nikolaus","Coordination preferences of the alkali cations sodium and caesium in the mixed-cationic Zintl ammoniate Cs~3.2~Na~0.8~Ge~9~·5.3NH~3~","Acta Crystallographica Section C","2014","70","11","1036","1039","10.1107/S2053229614021998","","","0.71073","MoKα","","0.0405","0.0365","","","0.0896","0.0914","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019698","16.6753","0.0007","9.8281","0.0005","22.4931","0.001","90","","90.747","0.002","90","","3686","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","myo inositol","2,4(6)-Di-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate","","- C21 H18 O8 -","- C21 H18 O8 -","- C168 H144 O64 -","8","2","YF3071","Tamboli, Majid I.; Bahadur, Vir; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Correlation of the solid-state reactivities of racemic 2,4(6)-di-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate and its 4,4'-bipyridine cocrystal with their crystal structures","Acta Crystallographica Section C","2014","70","11","1040","1045","10.1107/S2053229614021834","","","0.71073","MoKα","","0.0893","0.0555","","","0.1163","0.1329","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019699","10.7434","0.0003","11.4077","0.0004","11.7341","0.0004","82.246","0.002","65.849","0.002","89.549","0.002","1298.44","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","myo inositol cocrystal","Racemic 2,4(6)-di-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate‒4,4'-bipyridine (1/1)","","- C31 H26 N2 O8 -","- C31 H26 N2 O8 -","- C62 H52 N4 O16 -","2","1","YF3071","Tamboli, Majid I.; Bahadur, Vir; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Correlation of the solid-state reactivities of racemic 2,4(6)-di-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate and its 4,4'-bipyridine cocrystal with their crystal structures","Acta Crystallographica Section C","2014","70","11","1040","1045","10.1107/S2053229614021834","","","0.71073","MoKα","","0.0572","0.0467","","","0.1167","0.1242","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2019700","8.8694","0.0018","17.827","0.004","9.4062","0.0019","90","","107.25","0.03","90","","1420.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[tetramethylphosphonium [μ-chlorido-di-μ-dicyanamido-κ^4^<i>N</i>^1^:<i>N</i>^5^-cadmium(II)]]","","- C8 H12 Cd Cl N6 P -","- C8 H12 Cd Cl N6 P -","- C32 H48 Cd4 Cl4 N24 P4 -","4","1","BG3186","Li, Qiang; Wang, Hui-Ting","A new three-dimensional anionic cadmium(II) dicyanamide network","Acta Crystallographica Section C","2014","70","11","1054","1056","10.1107/S2053229614022360","","","0.71073","MoKα","","0.0393","0.0307","","","0.0692","0.0726","","","","","","1.162","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019701","7.6347","0.0008","12.314","0.0009","8.3675","0.0008","90","","90.855","0.008","90","","786.57","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[diaqua(sulfato-κ<i>O</i>)copper(II)]-μ~2~-glycine-κ^2^<i>O</i>:<i>O</i>']","","- C2 H9 Cu N O8 S -","- C2 H9 Cu N O8 S -","- C8 H36 Cu4 N4 O32 S4 -","4","1","SK3562","Stoeckli-Evans, Helen; Sereda, Olha; Neels, Antonia; Oguey, Sebastien; Ionescu, Catherine; Jacquier, Yvan","<i>In situ</i> single-crystal to single-crystal (SCSC) transformation of the one-dimensional polymer <i>catena</i>-poly[[diaqua(sulfato)copper(II)]-μ~2~-glycine] into the two-dimensional polymer poly[μ~2~-glycine-μ~4~-sulfato-copper(II)]","Acta Crystallographica Section C","2014","70","11","1057","1063","10.1107/S2053229614021123","","","0.71073","MoKα","","0.0261","0.0227","","","0.0541","0.0549","","","","","","1.13","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019702","4.8131","0.0008","7.787","0.001","7.9262","0.0011","90","","107.729","0.012","90","","282.96","0.07","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[(μ~2~-glycine-κ^2^<i>O</i>:<i>O</i>')(μ~4~-sulfato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>'')copper(II)],","","- C2 H5 Cu N O6 S -","- C2 H5 Cu N O6 S -","- C4 H10 Cu2 N2 O12 S2 -","2","1","SK3562","Stoeckli-Evans, Helen; Sereda, Olha; Neels, Antonia; Oguey, Sebastien; Ionescu, Catherine; Jacquier, Yvan","<i>In situ</i> single-crystal to single-crystal (SCSC) transformation of the one-dimensional polymer <i>catena</i>-poly[[diaqua(sulfato)copper(II)]-μ~2~-glycine] into the two-dimensional polymer poly[μ~2~-glycine-μ~4~-sulfato-copper(II)]","Acta Crystallographica Section C","2014","70","11","1057","1063","10.1107/S2053229614021123","","","0.71073","MoKα","","0.0693","0.0559","","","0.1263","0.1317","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019703","5.9191","0.0014","18.164","0.004","16.605","0.004","90","","98.343","0.006","90","","1766.4","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propionate","","- C18 H28 O3 -","- C18 H28 O3 -","- C72 H112 O12 -","4","1","WQ3074","Li, Xiang; Wang, Zhi-Gang; Chen, Hou-He; Liu, Sheng-Gao","The antioxidant methyl 3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propionate","Acta Crystallographica Section C","2014","70","11","1050","1053","10.1107/S2053229614021445","","","0.71073","MoKα","","0.0791","0.0543","","","0.1503","0.1644","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019704","12.7399","0.0008","15.6208","0.0009","21.589","0.0013","121.63","0.0016","97.8306","0.0019","116.728","0.0017","2849.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>tert</i>-Butyl <i>N</i>-benzyloxycarbonyl-α-aminoisobutyryl-α-aminoisobutyryl-α-aminoisobutyrylglycine 0.075-hydrate","","- C26 H40 N4 O7.075 -","- C26 H40 N4 O7.075 -","- C104 H160 N16 O28.3 -","4","2","KU3140","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","The achiral tetrapeptide <i>Z</i>-Aib-Aib-Aib-Gly-OtBu","Acta Crystallographica Section C","2014","70","11","1046","1049","10.1107/S2053229614022165","","","1.54178","CuKα","","0.0404","0.0383","","","0.0952","0.0986","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019705","7.998","0.002","11.085","0.003","11.696","0.002","61.92","0.02","84.921","0.018","79.928","0.019","900.8","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Ethyl-1-[5-(4-methylphenyl)pyrazol-3-yl]-3-(thiophen-2-carbonyl)isothiourea","","- C18 H18 N4 O S2 -","- C18 H18 N4 O S2 -","- C36 H36 N8 O2 S4 -","2","1","SK3568","Castro, Edison; Insuasty, Henry; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","2-Ethyl-1-[5-(4-methylphenyl)pyrazol-3-yl]-3-(thiophene-2-carbonyl)isothiourea: molecular ribbons containing three types of hydrogen-bonded ring","Acta Crystallographica Section C","2014","70","11","1064","1068","10.1107/S205322961402244X","","","0.71073","MoKα","","0.1333","0.0574","","","0.0949","0.1192","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019706","15.285","0.003","5.7077","0.0011","16.907","0.003","90","","98.912","0.005","90","","1457.2","0.5","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[bis(dimethylformamide-κ<i>O</i>)cadmium(II)]-bis(μ-diphenylphosphinato-κ^2^<i>O</i>:<i>O</i>')]","","- C30 H34 Cd N2 O6 P2 -","- C30 H34 Cd N2 O6 P2 -","- C60 H68 Cd2 N4 O12 P4 -","2","1","YP3082","Rood, Jeffrey A.; Boyer, Steven; Oliver, Allen G.","One- and two-dimensional Cd^II^ coordination polymers incorporating organophosphinate ligands","Acta Crystallographica Section C","2014","70","11","1069","1074","10.1107/S2053229614022256","","","0.71073","MoKα","","0.0695","0.0482","","","0.0976","0.1148","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019707","23.695","0.002","12.8861","0.0012","11.1594","0.001","90","","90","","90","","3407.4","0.5","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Poly[[(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-diphenylphosphinato-κ^2^<i>O</i>:<i>O</i>')cadmium(II)] dimethylformamide monosolvate]","","- C37 H35 Cd N3 O5 P2 -","- C37 H35 Cd N3 O5 P2 -","- C148 H140 Cd4 N12 O20 P8 -","4","1","YP3082","Rood, Jeffrey A.; Boyer, Steven; Oliver, Allen G.","One- and two-dimensional Cd^II^ coordination polymers incorporating organophosphinate ligands","Acta Crystallographica Section C","2014","70","11","1069","1074","10.1107/S2053229614022256","","","0.7749","synchrotron","","0.0442","0.0392","","","0.1007","0.1058","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019708","9.0358","0.0005","9.0395","0.0004","11.4988","0.0007","90","","111.298","0.006","90","","875.07","0.09","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","Hobartine","(1<i>R</i>)-3-[(1<i>S</i>,5<i>S</i>)-(4,4,8-Trimethylbicyclo[3.3.1]non-7-en-2-yl)methyl]-2,3-dihydro-1<i>H</i>-indole","","- C20 H26 N2 -","- C20 H26 N2 -","- C40 H52 N4 -","2","1","FN3181","Paz Robles, Cristian; Badilla Vidal, Natalia; Suarez, Sebastián; Baggio, Ricardo","Hobartine: a tetracyclic indole alkaloid extracted from <i>Aristotelia chilensis</i> (maqui)","Acta Crystallographica Section C","2014","70","11","1075","1078","10.1107/S205322961402258X","","","0.71073","MoKα","","0.0684","0.0479","","","0.1207","0.1395","","","","","","0.842","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019709","12.664","0.006","30.334","0.015","7.06","0.004","90","","90","","90","","2712","2","296","2","296","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","Poly[aqua[μ~4~-2-(4-carboxylatobenzoyl)benwq3074zoato]cadmium(II)]","","- C15 H10 Cd O6 -","- C15 H10 Cd O6 -","- C120 H80 Cd8 O48 -","8","","LG3147","Chen, Hui-Ru; Zhang, Wen-Wen","A novel two-dimensional Cd^II^ coordination polymer: poly[aqua[μ~4~-2-(4-carboxylatobenzoyl)benzoato]cadmium(II)]","Acta Crystallographica Section C","2014","70","11","1079","1082","10.1107/S2053229614022852","","","0.71073","MoKα","","0.0417","0.0282","","","0.051","0.0547","","","","","","0.993","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019710","16.343","0.003","5.7477","0.0011","16.812","0.003","90","","91.1","0.03","90","","1578.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[piperazine-1,4-dium [tetra-μ~3~-azido-κ^12^<i>N</i>^1^:<i>N</i>^1^:<i>N</i>^1^-hexa-μ~2~-azido-κ^12^<i>N</i>^1^:<i>N</i>^1^-di-μ~2~-azido-κ^4^<i>N</i>^1^:<i>N</i>^3^-pentacopper(II)] tetrahydrate]","","- C4 H20 Cu5 N38 O4 -","- C4 H20 Cu5 N38 O4 -","- C8 H40 Cu10 N76 O8 -","2","0.5","WQ3076","Liu, Hou-Ting; Lu, Jing","An azide-bridged copper(II) complex: poly[piperazine-1,4-dium [tetra-μ~3~-azido-κ^12^<i>N</i>^1^:<i>N</i>^1^:<i>N</i>^1^-hexa-μ~2~-azido-κ^12^<i>N</i>^1^:<i>N</i>^1^-di-μ~2~-azido-κ^4^<i>N</i>^1^:<i>N</i>^3^-pentacopper(II)] tetrahydrate]","Acta Crystallographica Section C","2014","70","11","1083","1087","10.1107/S2053229614022190","","","0.71073","MoKα","","0.0506","0.0314","","","0.0634","0.0724","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019711","6.6327","0.001","11.4385","0.0014","7.5069","0.0012","90","","108.488","0.012","90","","540.14","0.14","173","2","173","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","hexabromodisilane","","- Br6 Si2 -","- Br6 Si2 -","- Br12 Si4 -","2","0.25","QS3044","Berger, Matthias; Auner, Norbert; Bolte, Michael","Hexabromo- and hexaiododisilane: small and simple molecules showing completely different crystal structures","Acta Crystallographica Section C","2014","70","11","1088","1091","10.1107/S2053229614022992","","","0.71073","MoKα","","0.1056","0.093","","","0.209","0.2178","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019712","7.1436","0.0009","7.1436","0.0009","22.213","0.003","90","","90","","120","","981.7","0.2","173","2","173","2","","","","","","","","2","R -3 :H","-R 3","148","","hexaiododisilane","","- I6 Si2 -","- I6 Si2 -","- I18 Si6 -","3","0.166667","QS3044","Berger, Matthias; Auner, Norbert; Bolte, Michael","Hexabromo- and hexaiododisilane: small and simple molecules showing completely different crystal structures","Acta Crystallographica Section C","2014","70","11","1088","1091","10.1107/S2053229614022992","","","0.71073","MoKα","","0.051","0.047","","","0.1211","0.1234","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019713","11.8377","0.0014","18.664","0.002","9.8566","0.0011","90","","96.374","0.002","90","","2164.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~2~-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene](μ~3~-5-nitrobenzene-1,3-dicarboxylato)cadmium(II)]","","- C22 H17 Cd N5 O6 -","- C22 H17 Cd N5 O6 -","- C88 H68 Cd4 N20 O24 -","4","1","FG3328","Li, Le; Tao, Jian-Qing","A twofold interpenetrating three-dimensional Cd^II^ coordination framework: poly[[μ~2~-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene](μ~3~-5-nitrobenzene-1,3-dicarboxylato)cadmium(II)]","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614024206","","","0.71073","MoKα","","0.0365","0.0282","","","0.0634","0.0664","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019714","27.53","0.002","5.4713","0.0005","7.9284","0.0007","90","","95.009","0.002","90","","1189.65","0.17","130","0.2","130","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methoxy-4-[(phenylselanyl)methyl]benzene","","- C14 H14 O Se -","- C14 H14 O Se -","- C56 H56 O4 Se4 -","4","1","LG3148","White, Jonathan Michael; Blanc, Paul","The effects of σ~C{—~Se}‒π hyperconjugation in 1-methoxy- and 1-nitro-4-[(phenylselanyl)methyl]benzene","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614022724","","","0.71073","MoKα","","0.0402","0.035","","","0.0852","0.0885","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019715","7.4037","0.0008","14.436","0.0015","10.9253","0.0012","90","","90.706","0.002","90","","1167.6","0.2","130","0.2","130","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Nitro-4-[(phenylselanyl)methyl]benzene","","- C13 H11 N O2 Se -","- C13 H11 N O2 Se -","- C52 H44 N4 O8 Se4 -","4","1","","White, Jonathan Michael; Blanc, Paul","The effects of σ~C{—~Se}‒π hyperconjugation in 1-methoxy- and 1-nitro-4-[(phenylselanyl)methyl]benzene","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614022724","","","0.71073","MoKα","","0.0449","0.0413","","","0.104","0.1056","","","","","","1.206","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019716","28.848","0.002","7.6951","0.0006","11.5552","0.0009","90","","90","","90","","2565.1","0.3","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Poly[diaqua(μ~4~-4,4'-oxydibenzoato)(μ~2~-4,4'-oxydibenzoato)dilead(II)]","","- C14 H10 O6 Pb -","- C14 H10 O6 Pb -","- C112 H80 O48 Pb8 -","8","1","FA3353","Xu, Xiao-Juan","A two-dimensional coordination polymer: poly[diaqua(μ~4~-4,4'-oxydibenzoato)(μ~2~-4,4'-oxydibenzoato)dilead(II)]","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614023754","","","0.71073","MoKα","","0.039","0.0289","","","0.0649","0.0689","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019717","6.6766","0.0004","7.1292","0.0004","16.0995","0.001","78.423","0.005","84.663","0.005","65.46","0.005","682.87","0.08","295","2","295","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","2","SK3569","Paz Robles, Cristian; Mercado, Darío; Suarez, Sebastián; Baggio, Ricardo","Two drimane lactones, valdiviolide and 11-epivaldiviolide, in the form of a 1:1 cocrystal obtained from <i>Drimys winteri</i> extracts","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402395X","","","0.71069","MoKα","","0.068","0.0486","","","0.1155","0.1299","","","","","","1.009","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2019718","9.3916","0.0017","12.398","0.002","11.313","0.002","90","","105.216","0.006","90","","1271.1","0.4","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(Furan-2-yl)-1-[(furan-2-yl)methyl]-1<i>H</i>-benzimidazole","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","LG3149","Geiger, David K.; Geiger, H. Cristina; Deck, Jared M.","Structure determination of three furan-substituted benzimidazoles and calculation of π‒π and C—H···π interaction energies","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402405X","","","0.71073","MoKa","","0.0606","0.0434","","","0.0964","0.1037","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019719","4.87","0.0007","18.694","0.003","17.196","0.003","90","","98.05","0.005","90","","1550.1","0.4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-(Furan-2-yl)-1-[(furan-2-yl)methyl]-1<i>H</i>-benzimidazol-3-ium chloride monohydrate","","- C16 H15 Cl N2 O3 -","- C16 H15 Cl N2 O3 -","- C64 H60 Cl4 N8 O12 -","4","1","LG3149","Geiger, David K.; Geiger, H. Cristina; Deck, Jared M.","Structure determination of three furan-substituted benzimidazoles and calculation of π‒π and C—H···π interaction energies","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402405X","","","0.71073","MoKa","","0.0433","0.0374","","","0.0901","0.0939","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019720","9.1903","0.001","9.619","0.001","9.7443","0.0011","93.132","0.003","101.859","0.003","101.684","0.003","821.38","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","2-(Furan-2-yl)-1-[(furan-2-yl)methyl]-1<i>H</i>-benzimidazol-3-ium bromide","","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","- C36 H34 Br2 N4 O4 -","2","1","LG3149","Geiger, David K.; Geiger, H. Cristina; Deck, Jared M.","Structure determination of three furan-substituted benzimidazoles and calculation of π‒π and C—H···π interaction energies","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402405X","","","0.71073","MoKa","","0.0383","0.0276","","","0.0595","0.0631","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019721","10.2772","0.00019","19.336","0.0004","15.9587","0.0003","90","","90","","90","","3171.31","0.11","193","2","193","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","2,7-diethoxy-1,8-bis(4-phenoxybenzoyl)naphthalene","","- C40 H32 O6 -","- C40 H32 O6 -","- C160 H128 O24 -","4","0.5","KY3065","Yoshiwaka, Sayaka; Sasagawa, Kosuke; Noguchi, Keiichi; Yonezawa, Noriyuki; Okamoto, Akiko","Comparative structural analysis of 2,7-diethoxy-1,8-bis(4-phenoxybenzoyl)naphthalene and its homologues: orientation of the 4-phenoxybenzoyl groups at the 1- and 8-positions of the naphthalene ring","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614022967","","","1.54187","CuKα","","0.0396","0.0377","","","0.1036","0.1052","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019722","5.0104","0.0003","13.0418","0.0007","20.861","0.0009","90","","90","","90","","1363.15","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Amino-5-cyclopropyl-7-(2-deoxy-β-<i>D</i>-<i>erythro</i>-pentofuranosyl)-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine","","- C14 H18 N4 O3 -","- C14 H18 N4 O3 -","- C56 H72 N16 O12 -","4","1","FN3183","Yang, Haozhe; Budow-Busse, Simone; Eickmeier, Henning; Reuter, Hans; Seela, Frank","7-Cyclopropyl-2'-deoxytubercidin: a carbocyclic side-chain derivative of 7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402378X","","","0.71073","MoKα","","0.0467","0.0402","","","0.0938","0.0978","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019723","18.949","0.005","5.685","0.005","24.783","0.005","90","0.005","109.575","0.005","90","0.005","2515","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(3-Azaniumylpropyl)morpholin-4-ium chloride hydrogen oxalate","","- C9 H19 Cl N2 O5 -","- C9 H19 Cl N2 O5 -","- C72 H152 Cl8 N16 O40 -","8","1","FM3027","Traut-Johnstone, Telisha; Kriel, Frederik H.; Hewer, Raymond; Williams, D. Bradley G.","4-(3-Azaniumylpropyl)morpholin-4-ium chloride hydrogen oxalate: an unusual example of a dication with different counter-anions","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614022232","","","0.71073","MoKα","","0.0299","0.0281","","","0.0785","0.0802","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019724","7.5599","0.0004","13.9247","0.0007","12.2049","0.0005","90","","90","","90","","1284.8","0.11","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[bis(pyridin-2-yl-κ<i>N</i>)amine]tetrachloridoplatinum(IV)","","- C10 H9 Cl4 N3 Pt -","- C10 H9 Cl4 N3 Pt -","- C40 H36 Cl16 N12 Pt4 -","4","0.5","DT3029","Chernyshev, Alexander N.; Kukushkin, Vadim Yu.; Haukka, Matti","Two complexes of Pt^IV^ and Au^III^ with 2,2'-dipyridylamine and 2,2'-dipyridylaminide ligands","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614021548","","","0.71073","MoKα","","0.0316","0.0259","","","0.0534","0.0561","","","","","","1.119","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019725","7.6126","0.0013","8.8933","0.0007","9.5996","0.0008","115.042","0.004","98.263","0.005","105.452","0.006","542.5","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[bis(pyridin-2-yl-κ<i>N</i>)aminido]dichloridogold(III)","","- C10 H8 Au Cl2 N3 -","- C10 H8 Au Cl2 N3 -","- C20 H16 Au2 Cl4 N6 -","2","1","DT3029","Chernyshev, Alexander N.; Kukushkin, Vadim Yu.; Haukka, Matti","Two complexes of Pt^IV^ and Au^III^ with 2,2'-dipyridylamine and 2,2'-dipyridylaminide ligands","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614021548","","","0.71073","MoKα","","0.0253","0.0235","","","0.0593","0.0601","","","","","","1.038","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019726","7.2649","0.0003","10.6796","0.0003","17.4288","0.0005","90","","96.823","0.003","90","","1342.66","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-[(Hydroxyimino)methyl]pyridinium diaquabis[pyridine-2,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^]zinc(II)","Bis{4-[(hydroxyimino)methyl]pyridinium} diaquabis[pyridine-2,5-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^]zincate(II)","","- C26 H24 N6 O12 Zn -","- C26 H24 N6 O12 Zn -","- C52 H48 N12 O24 Zn2 -","2","0.5","DT3027","Coropceanu, Eduard B.; Dreab, Ana; Croitor, Lilia","Two Zn^II^ mononuclear coordination compounds with pyridinedicarboxylate and auxiliary <i>N</i>-(pyridin-4-ylmethylidene)hydroxylamine ligands","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614023109","","","0.71073","MoKα","","0.043","0.034","","","0.0846","0.0906","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019727","6.7644","0.0002","18.5124","0.0005","15.3595","0.0006","90","","90","","90","","1923.4","0.11","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Di(4-pyridinealdoxime)[pyridine-2,6-dicarboxylato-k2O2,N,O6]-zinc(II)","(Pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)bis[<i>N</i>-\ (pyridin-4-ylmethylidene)hydroxylamine-κ<i>N</i>^1^]zinc(II)","","- C19 H15 N5 O6 Zn -","- C19 H15 N5 O6 Zn -","- C76 H60 N20 O24 Zn4 -","4","0.5","DT3027","Coropceanu, Eduard B.; Dreab, Ana; Croitor, Lilia","Two Zn^II^ mononuclear coordination compounds with pyridinedicarboxylate and auxiliary <i>N</i>-(pyridin-4-ylmethylidene)hydroxylamine ligands","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614023109","","","0.71073","MoKα","","0.0432","0.032","","","0.0783","0.0834","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019728","10.6887","0.0005","13.8505","0.0005","17.5554","0.001","90","","93.926","0.004","90","","2592.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium tetrachloridoaluminate benzene hemisolvate","","- C19 H39 Al Cl4 N -","- C19 H39 Al Cl4 N -","- C76 H156 Al4 Cl16 N4 -","4","1","SK3567","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","Two ammonium tetrachloridoaluminate salts: how a twinned orthorhombic structure emulates a trigonal crystal system","Acta Crystallographica Section C Structural Chemistry","2014","70","12","","","10.1107/S2053229614022621","","","0.71073","MoKα","","0.0627","0.0581","","","0.1577","0.1616","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019729","14.0348","0.001","8.1362","0.0007","12.8892","0.0012","90","","90","","90","","1471.8","0.2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Tetraethylammonium tetrachloridoaluminate","","- C8 H20 Al Cl4 N -","- C8 H20 Al Cl4 N -","- C32 H80 Al4 Cl16 N4 -","4","1","SK3567","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","Two ammonium tetrachloridoaluminate salts: how a twinned orthorhombic structure emulates a trigonal crystal system","Acta Crystallographica Section C Structural Chemistry","2014","70","12","","","10.1107/S2053229614022621","","","0.71073","MoKα","","0.0245","0.0226","","","0.0514","0.0518","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019730","12.88","0.0009","4.0398","0.0003","15.2317","0.0011","90","","111.263","0.007","90","","738.59","0.1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloro-3-nitroaniline","","- C6 H5 Cl N2 O2 -","- C6 H5 Cl N2 O2 -","- C24 H20 Cl4 N8 O8 -","4","1","SK3557","Fábry, Jan; Dušek, Michal; Vaněk, Přemysl; Rafalovskyi, Iegor; Hlinka, Jiří; Urban, Jiří","High- and low-temperature phases in isostructural 4-chloro-3-nitroaniline and 4-iodo-3-nitroaniline","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614024632","","","1.5418","CuKα","","0.0598","0.0452","","","0.1014","0.111","","","","","","1.92","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019731","12.726","0.0004","7.9721","0.0002","15.0098","0.0004","90","","110.352","0.003","90","","1427.73","0.07","120","0.14","120","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","4-Chloro-3-nitroaniline","","- C6 H5 Cl N2 O2 -","- C6 H5 Cl N2 O2 -","- C48 H40 Cl8 N16 O16 -","8","4","SK3557","Fábry, Jan; Dušek, Michal; Vaněk, Přemysl; Rafalovskyi, Iegor; Hlinka, Jiří; Urban, Jiří","High- and low-temperature phases in isostructural 4-chloro-3-nitroaniline and 4-iodo-3-nitroaniline","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614024632","","","1.5418","CuKα","","0.0258","0.0241","","","0.0647","0.0657","","","","","","1.94","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019732","12.5219","0.0008","4.2601","0.0003","16.0008","0.0009","90","","111.556","0.006","90","","793.86","0.09","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Iodo-3-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C24 H20 I4 N8 O8 -","4","1","SK3557","Fábry, Jan; Dušek, Michal; Vaněk, Přemysl; Rafalovskyi, Iegor; Hlinka, Jiří; Urban, Jiří","High- and low-temperature phases in isostructural 4-chloro-3-nitroaniline and 4-iodo-3-nitroaniline","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614024632","","","1.5418","CuKα","","0.0626","0.0527","","","0.1146","0.1202","","","","","","2.31","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019733","12.5188","0.0009","8.2955","0.0005","15.9287","0.001","90","","111.141","0.006","90","","1542.86","0.19","120","0.14","120","0.14","","","","","","","","5","P 1 n 1","P -2yac","7","","4-Iodo-3-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C48 H40 I8 N16 O16 -","8","4","SK3557","Fábry, Jan; Dušek, Michal; Vaněk, Přemysl; Rafalovskyi, Iegor; Hlinka, Jiří; Urban, Jiří","High- and low-temperature phases in isostructural 4-chloro-3-nitroaniline and 4-iodo-3-nitroaniline","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614024632","","","0.71069","MoKα","","0.125","0.0477","","","0.0932","0.1181","","","","","","1.32","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019734","9.396","0.004","10.558","0.005","15.129","0.007","95.157","0.008","103.433","0.008","107.007","0.008","1375.7","1.1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","[5,10-Dibromo-15,20-bis(4-methylphenyl)porphyrinato]palladium(II)","","- C34 H22 Br2 N4 Pd -","- C34 H22 Br2 N4 Pd -","- C68 H44 Br4 N8 Pd2 -","2","1","OV3055","Senge, Mathias O.; Zawadzka, Monika","Structural investigation of 5,10-<i>A</i>~2~<i>B</i>~2~-type porphyrins: palladium(II) and zinc(II) complexes of 5,10-dibromo-15,20-bis(4-methylphenyl)porphyrin","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614023687","","","0.71073","MoKα","","0.0859","0.0631","","","0.1635","0.1802","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019735","10.28","0.003","11.637","0.004","14.052","0.004","110.195","0.002","95.785","0.002","105.564","0.004","1484.6","0.8","108","2","108","2","","","","","","","","6","P -1","-P 1","2","","[5,10-Dibromo-15,20-bis(4-methylphenyl)porphyrinato](methanol)zinc(II)","","- C35 H26 Br2 N4 O Zn -","- C35 H25 Br2 N4 O Zn -","- C70 H50 Br4 N8 O2 Zn2 -","2","1","","Senge, Mathias O.; Zawadzka, Monika","Structural investigation of 5,10-<i>A</i>~2~<i>B</i>~2~-type porphyrins: palladium(II) and zinc(II) complexes of 5,10-dibromo-15,20-bis(4-methylphenyl)porphyrin","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614023687","","","0.71075","MoKα","","0.0605","0.0413","","","0.1015","0.1103","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019736","15.06714","0.00017","8.30759","0.00008","19.5481","0.0002","90","","90","","90","","2446.87","0.04","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(±)-<i>cis</i>-Ethyl 2-sulfanylidenedecahydro-1,6-naphthyridine-6-carboxylate","","- C11 H18 N2 O2 S -","- C11 H18 N2 O2 S -","- C88 H144 N16 O16 S8 -","8","2","KY3066","Schwehm, Carolin; Lewis, William; Blake, Alexander J.; Kellam, Barrie; Stocks, Michael J.","Preparation and structural analysis of (±)-<i>cis</i>-ethyl 2-sulfanylidenedecahydro-1,6-naphthyridine-6-carboxylate and (±)-<i>trans</i>-ethyl 2-oxooctahydro-1<i>H</i>-pyrrolo[3,2-<i>c</i>]pyridine-5-carboxylate","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402436X","","","1.54184","CuKα","","0.035","0.0343","","","0.0906","0.0912","","","","","","1.07","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019737","8.5204","0.0006","6.4089","0.0004","19.5921","0.0016","90","","96.381","0.008","90","","1063.23","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N2 O3 -","- C10 H16 N2 O3 -","- C40 H64 N8 O12 -","4","1","","Schwehm, Carolin; Lewis, William; Blake, Alexander J.; Kellam, Barrie; Stocks, Michael J.","Preparation and structural analysis of (±)-<i>cis</i>-ethyl 2-sulfanylidenedecahydro-1,6-naphthyridine-6-carboxylate and (±)-<i>trans</i>-ethyl 2-oxooctahydro-1<i>H</i>-pyrrolo[3,2-<i>c</i>]pyridine-5-carboxylate","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402436X","","","1.54184","CuKα","","0.0583","0.0479","","","0.1258","0.1357","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019738","9.0897","0.0007","18.6342","0.0015","12.2598","0.0008","90","","90","","90","","2076.6","0.3","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>N</i>,<i>N</i>',<i>N</i>''-Tricyclohexylphosphorothioic triamide","","- C18 H36 N3 P S -","- C18 H36 N3 P S -","- C72 H144 N12 P4 S4 -","4","0.5","","Pourayoubi, Mehrdad; Abrishami, Mozhgan; Eigner, Václav; Nečas, Marek; Dušek, Michal; Delavar, Mahmoud","Two new thiophosphoramide structures: <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphorothioic triamide and <i>O</i>,<i>O</i>'-diethyl (2-phenylhydrazin-1-yl)thiophosphonate","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614022608","","","0.71073","MoKα","","0.0723","0.0463","","","0.1134","0.1304","","","","","","1.8","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019739","9.938","0.001","16.3798","0.001","8.4156","0.0006","90","","104.553","0.011","90","","1325.96","0.19","120","0.1","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>O</i>,<i>O</i>'-Diethyl (2-phenylhydrazin-1-yl)thiophosphonate","","- C10 H17 N2 O2 P S -","- C10 H17 N2 O2 P S -","- C40 H68 N8 O8 P4 S4 -","4","1","","Pourayoubi, Mehrdad; Abrishami, Mozhgan; Eigner, Václav; Nečas, Marek; Dušek, Michal; Delavar, Mahmoud","Two new thiophosphoramide structures: <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphorothioic triamide and <i>O</i>,<i>O</i>'-diethyl (2-phenylhydrazin-1-yl)thiophosphonate","Acta Crystallographica Section C","2014","70","12","","","10.1107/S2053229614022608","","","0.7107","MoKα","","0.0399","0.0337","","","0.1009","0.1063","","","","","","1.78","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019740","16.7649","0.0014","13.474","0.002","21.0984","0.0012","90","","96.671","0.003","90","","4733.7","0.9","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[aquadi-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-hexacyanido-κ^6^<i>C</i>-(dimethylformamide-κ<i>O</i>)bis(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')terbium(III)molybdate(V)] 4.5-hydrate]","","- C86 H100 Mo2 N26 O13 Tb2 -","- C86 H100 Mo2 N26 O13 Tb2 -","- C172 H200 Mo4 N52 O26 Tb4 -","2","0.5","OV3054","Shen, Hong","The synthesis, crystal structure and magnetic properties of a one-dimensional terbium(III)‒octacyanidomolybdate(V) assembly","Acta Crystallographica Section C","2014","70","12","1169","1173","10.1107/S2053229614024085","","","0.71073","MoKα","","0.0675","0.0616","","","0.148","0.1488","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019741","6.0706","0.0012","17.914","0.004","21.75","0.004","90","","93.54","0.03","90","","2360.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[aqua[1,3-bis(pyridine-3-ylmethoxy)benzene-κ<i>N</i>]zinc(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","","- C26 H22 N2 O7 Zn -","- C26 H22 N2 O7 Zn -","- C104 H88 N8 O28 Zn4 -","4","1","YP3085","Yu, Cai-Xia; Ma, Feng-Ji; Liu, Lei-Lei; Liu, Cong","A helical zinc(II) coordination polymer assembled from 1,3-bis[(pyridin-3-yl)methoxy]benzene and benzene-1,4-dicarboxylic acid","Acta Crystallographica Section C","2014","70","12","1178","1180","10.1107/S2053229614025546","","","0.71073","MoKα","","0.0351","0.027","","","0.065","0.0691","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019742","5.9725","0.0001","17.0935","0.0002","22.8179","0.0003","90","","90","","90","","2329.5","0.06","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>)-(Ethane-1,2-diyl)bis[(2-methylphenyl)phenylphosphane]","","- C28 H28 P2 -","- C28 H28 P2 -","- C112 H112 P8 -","4","1","KU3144","Bendzińska-Berus, Wioletta; Kaik-King, Magdalena; King, Gary; Rychlewska, Urszula","An enantiomerically pure P-stereogenic bisphosphine: (<i>S</i>,<i>S</i>)-ethylenebis[(2-methylphenyl)phenylphosphine] (<i>o</i>-tolyl-DiPAMP)","Acta Crystallographica Section C","2014","70","12","1174","1177","10.1107/S205322961402542X","","","1.54178","CuKα","","0.0344","0.0337","","","0.0902","0.0909","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019743","6.335","0.004","13.399","0.005","16.613","0.005","90","","90","","90","","1410.2","1.1","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Dendocarbin A","(1<i>R</i>,5a<i>S</i>,9a<i>S</i>,9b<i>R</i>)-5,5a,6,7,8,9,9a,9b-Octahydro-1-hydroxy-6,6,9a-trimethylnaphtho[1,2-c]furan-3(1H)-one","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","DT3028","Paz Robles, Cristian; Burgos, Viviana; Suarez, Sebastián; Baggio, Ricardo","Dendocarbin A: a sesquiterpene lactone from <i>Drimys winteri</i>","Acta Crystallographica Section C","2014","70","11","1007","1010","10.1107/S205322961402155X","","","0.71069","MoKα","","0.1063","0.0554","","","0.1085","0.1327","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2021434","8.3593","0.0004","4.91233","0.00022","13.8705","0.0015","90","","101.296","0.009","90","","558.54","0.07","","","298","","","","10040","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- O9 P2 Zr -","- O9 P2 Zr -","- O36 P8 Zr4 -","4","1","ZB5035","Readman, Jennifer E.; Lennie, Alistair; Hriljac, Joseph A.","In-situhigh-pressure powder X-ray diffraction study of α-zirconium phosphate","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2014","70","3","510","516","10.1107/S2052520614011317","powder diffraction","x-ray","0.44397","","","","","","","","","0.14837","","0.17","","","","","","","has coordinates,has Fobs","213150","2020-10-21","18:00:00",""
"2105722","7.2032","0.0002","6.9183","0.0003","27.515","0.002","90","","92.134","0.004","90","","1370.23","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl (4RS,5RS)-3-(4-nitrophenyl)-4,5-dihydroisoxazole-4,5-dicarboxylate","","- C13 H12 N2 O7 -","- C13 H12 N2 O7 -","- C52 H48 N8 O28 -","4","1","BI5027","Lombardo, Giuseppe M.; Rescifina, Antonio; Chiacchio, Ugo; Bacchi, Alessia; Punzo, Francesco","A top‒down approach to crystal engineering of a racemic Δ^2^-isoxazoline","Acta Crystallographica Section B","2014","70","1","172","180","10.1107/S2052520613030862","","","1.54178","CuKα","","0.0425","0.0402","","","0.1122","0.1138","","","","","","1.048","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105723","7.1962","0.0008","10.0563","0.0013","18.748","0.003","90","","91.548","0.012","90","","1356.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br Co N O5 -","- C13 H8 Br Co N O5 -","- C52 H32 Br4 Co4 N4 O20 -","4","1","BI5024","Munn, Alexis S.; Clarkson, Guy J.; Walton, Richard I.","Distortions of a flexible metal-organic framework from substituted pendant ligands","Acta Crystallographica Section B","2014","70","1","11","18","10.1107/S2052520613027224","","","0.71073","MoKα","","0.252","0.1037","","","0.2305","0.2889","","","","","","0.957","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105724","7.1507","0.0002","18.1353","0.0004","11.6447","0.0003","90","","90","","90","","1510.09","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H11 Co N O6 -","- C14 H11 Co N O6 -","- C56 H44 Co4 N4 O24 -","4","0.5","BI5024","Munn, Alexis S.; Clarkson, Guy J.; Walton, Richard I.","Distortions of a flexible metal-organic framework from substituted pendant ligands","Acta Crystallographica Section B","2014","70","1","11","18","10.1107/S2052520613027224","","","1.54178","CuKα","","0.055","0.0529","","","0.1341","0.1359","","","","","","1.081","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2105725","18.025","0.016","7.184","0.006","11.906","0.011","90","","90","","90","","1542","2","100","2","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H11.5 Co N O5.25 -","- C17 H11 Co N O5.25 -","- C68 H44 Co4 N4 O21 -","4","0.5","BI5024","Munn, Alexis S.; Clarkson, Guy J.; Walton, Richard I.","Distortions of a flexible metal-organic framework from substituted pendant ligands","Acta Crystallographica Section B","2014","70","1","11","18","10.1107/S2052520613027224","","","0.71073","MoKα","","0.0992","0.0896","","","0.154","0.1585","","","","","","1.113","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105726","12.9936","0.0008","17.9026","0.0008","7.1797","0.0004","90","","116.294","0.008","90","","1497.33","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Co N O5 -","- C19 H13 Co N O5 -","- C76 H52 Co4 N4 O20 -","4","0.5","BI5024","Munn, Alexis S.; Clarkson, Guy J.; Walton, Richard I.","Distortions of a flexible metal-organic framework from substituted pendant ligands","Acta Crystallographica Section B","2014","70","1","11","18","10.1107/S2052520613027224","","","1.54184","CuKα","","0.0443","0.0391","","","0.0959","0.0997","","","","","","1.042","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105727","6.21","0.0008","9.7294","0.0013","9.2163","0.0013","90","","98.019","0.006","90","","551.4","0.13","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H2 F8 N2 -","- C12 H2 F8 N2 -","- C24 H4 F16 N4 -","2","0.5","BI5016","Saccone, Marco; Terraneo, Giancarlo; Pilati, Tullio; Cavallo, Gabriella; Priimagi, Arri; Metrangolo, Pierangelo; Resnati, Giuseppe","Azobenzene-based difunctional halogen-bond donor: towards the engineering of photoresponsive co-crystals","Acta Crystallographica Section B","2014","70","1","149","156","10.1107/S205252061302622X","","","0.71073","MoKα","","0.0379","0.032","","","0.0962","0.1035","","","","","","1.096","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105728","21.14","0.003","10.0766","0.0016","9.5589","0.0015","90","","111.347","0.012","90","","1896.5","0.5","103","2","103","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 F8 I2 N2 O S -","- C14 H6 F8 I2 N2 O S -","- C56 H24 F32 I8 N8 O4 S4 -","4","0.5","BI5016","Saccone, Marco; Terraneo, Giancarlo; Pilati, Tullio; Cavallo, Gabriella; Priimagi, Arri; Metrangolo, Pierangelo; Resnati, Giuseppe","Azobenzene-based difunctional halogen-bond donor: towards the engineering of photoresponsive co-crystals","Acta Crystallographica Section B","2014","70","1","149","156","10.1107/S205252061302622X","","","0.71073","MoKα","","0.0399","0.027","","","0.0579","0.065","","","","","","1.076","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105729","5.9388","0.001","8.293","0.002","22.16","0.004","90","","95.371","0.012","90","","1086.6","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H8 F8 I2 N4 -","- C22 H8 F8 I2 N4 -","- C44 H16 F16 I4 N8 -","2","0.5","BI5016","Saccone, Marco; Terraneo, Giancarlo; Pilati, Tullio; Cavallo, Gabriella; Priimagi, Arri; Metrangolo, Pierangelo; Resnati, Giuseppe","Azobenzene-based difunctional halogen-bond donor: towards the engineering of photoresponsive co-crystals","Acta Crystallographica Section B","2014","70","1","149","156","10.1107/S205252061302622X","","","0.71073","MoKα","","0.0318","0.0235","","","0.0466","0.0495","","","","","","1.059","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105730","5.9758","0.0006","13.998","0.002","21.989","0.003","80.264","0.012","88.694","0.012","81.381","0.012","1792.4","0.4","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H26 F8 I2 N4 O2 -","- C40 H26 F8 I2 N4 O2 -","- C80 H52 F16 I4 N8 O4 -","2","1","BI5016","Saccone, Marco; Terraneo, Giancarlo; Pilati, Tullio; Cavallo, Gabriella; Priimagi, Arri; Metrangolo, Pierangelo; Resnati, Giuseppe","Azobenzene-based difunctional halogen-bond donor: towards the engineering of photoresponsive co-crystals","Acta Crystallographica Section B","2014","70","1","149","156","10.1107/S205252061302622X","","","0.71073","MoKα","","0.0457","0.032","","","0.0684","0.0734","","","","","","1.073","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105731","13.074","0.008","9.185","0.005","12.652","0.008","90","","109.33","0.06","90","","1433.7","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F3 N2 S -","- C14 H15 F3 N2 S -","- C56 H60 F12 N8 S4 -","4","1","BI5003","Surov, Artem O.; Proshin, Alexey N.; Perlovich, German L.","Crystal structure analysis and sublimation thermodynamics of bicyclo derivatives of a neuroprotector family","Acta Crystallographica Section B","2014","70","1","47","53","10.1107/S2052520613024384","","","0.71073","MoKα","","0.2773","0.0745","","","0.1914","0.2209","","","","","","0.873","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105732","7.586","0.001","10.088","0.002","16.566","0.004","90","","91.41","0.03","90","","1267.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F N2 S -","- C13 H15 F N2 S -","- C52 H60 F4 N8 S4 -","4","1","BI5003","Surov, Artem O.; Proshin, Alexey N.; Perlovich, German L.","Crystal structure analysis and sublimation thermodynamics of bicyclo derivatives of a neuroprotector family","Acta Crystallographica Section B","2014","70","1","47","53","10.1107/S2052520613024384","","","0.71073","MoKα","","0.1079","0.04","","","0.116","0.127","","","","","","0.984","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105733","8.7377","0.0002","14.1088","0.0003","20.83","0.0005","90","","90","","90","","2567.89","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N2 S -","- C14 H18 N2 S -","- C112 H144 N16 S8 -","8","1","BI5003","Surov, Artem O.; Proshin, Alexey N.; Perlovich, German L.","Crystal structure analysis and sublimation thermodynamics of bicyclo derivatives of a neuroprotector family","Acta Crystallographica Section B","2014","70","1","47","53","10.1107/S2052520613024384","","","0.71073","MoKα","","0.0357","0.0328","","","0.0823","0.0853","","","","","","1.079","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105734","11.2247","0.0004","8.366","0.0003","21.5073","0.0008","90","","97.265","0.002","90","","2003.45","0.13","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O10.25 -","- C17 H20 O10.25 -","- C68 H80 O41 -","4","1","BI5023","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Solvent‒guest control of two extremely similar tetrahydrofuran inclusion structures","Acta Crystallographica Section B","2014","70","1","126","131","10.1107/S2052520613031727","","","0.71073","MoKα","","0.0883","0.0739","","","0.2386","0.2544","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105735","11.4634","0.0008","8.5336","0.0007","21.6678","0.0016","90","","99.58","0.002","90","","2090.1","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O10.5 -","- C18 H22 O10.5 -","- C72 H88 O42 -","4","1","BI5023","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Solvent‒guest control of two extremely similar tetrahydrofuran inclusion structures","Acta Crystallographica Section B","2014","70","1","126","131","10.1107/S2052520613031727","","","0.71073","MoKα","","0.1152","0.0994","","","0.3282","0.3528","","","","","","1.541","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105736","4.8645","0.0004","13.054","0.0011","15.508","0.0014","90","","90","","90","","984.78","0.15","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 B2 O2 -","- C12 H10 B2 O2 -","- C48 H40 B8 O8 -","4","1","BI5017","Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof","Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes","Acta Crystallographica Section B","2014","70","1","157","171","10.1107/S2052520613034987","","","0.71073","MoKα","","0.1131","0.0814","","","0.1949","0.2204","","","","","","1.048","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105737","17.909","0.006","3.779","0.0001","17.355","0.003","90","","117.51","0.04","90","","1041.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 B2 F2 O2 -","- C12 H8 B2 F2 O2 -","- C48 H32 B8 F8 O8 -","4","1","BI5017","Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof","Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes","Acta Crystallographica Section B","2014","70","1","157","171","10.1107/S2052520613034987","","","0.71073","MoKα","","0.064","0.0426","","","0.111","0.1241","","","","","","1.028","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105738","7.3645","0.001","3.8696","0.0006","20.125","0.003","90","","97.543","0.014","90","","568.55","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 B2 Cl2 O2 -","- C12 H8 B2 Cl2 O2 -","- C24 H16 B4 Cl4 O4 -","2","0.5","BI5017","Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof","Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes","Acta Crystallographica Section B","2014","70","1","157","171","10.1107/S2052520613034987","","","0.71073","MoKα","","0.1405","0.0644","","","0.1342","0.1645","","","","","","0.992","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105739","8.988","0.003","3.905","0.0008","16.841","0.005","90","","96.11","0.03","90","","587.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 B2 Br2 O2 -","- C12 H8 B2 Br2 O2 -","- C24 H16 B4 Br4 O4 -","2","0.5","BI5017","Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof","Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes","Acta Crystallographica Section B","2014","70","1","157","171","10.1107/S2052520613034987","","","0.71073","MoKα","","0.0486","0.0406","","","0.1031","0.1067","","","","","","1.062","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105740","24.719","0.002","24.719","0.002","4.6681","0.0004","90","","90","","120","","2470.2","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H6 B2 O2 S2 -","- C8 H6 B2 O2 S2 -","- C72 H54 B18 O18 S18 -","9","0.5","BI5017","Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof","Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes","Acta Crystallographica Section B","2014","70","1","157","171","10.1107/S2052520613034987","","","0.71073","MoKα","","0.0579","0.0533","","","0.19","0.1933","","","","","","1.293","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105741","6.667","0.005","10.495","0.005","11.977","0.005","110.773","0.005","99.693","0.005","100.335","0.005","745.9","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Cl2 Li N2 O5 -","- C11 H10 Cl2 Li N2 O5 -","- C22 H20 Cl4 Li2 N4 O10 -","2","1","BI5007","Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija","Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state","Acta Crystallographica Section B","2014","70","1","181","190","10.1107/S2052520613027170","","","1.5418","CuKα","","","0.1","","","","0.3103","","","","","","1.079","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105742","6.5088","0.0002","18.1788","0.0006","9.6194","0.0002","90","","90","","90","","1138.19","0.06","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","RbDDQx2H2O","","","- C8 H4 Cl2 N2 O4 Rb -","- C8 H4 Cl2 N2 O4 Rb -","- C32 H16 Cl8 N8 O16 Rb4 -","4","1","","Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija","Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state","Acta Crystallographica Section B","2014","70","1","181","190","10.1107/S2052520613027170","","","1.5418","CuKα","","0.0441","0.0419","","","0.1165","0.119","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105743","6.4217","0.0002","18.0295","0.0006","9.574","0.0002","90","","90","","90","","1108.48","0.06","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","RbDDQx2H2O","","","- C8 H4 Cl2 N2 O4 Rb -","- C8 H4 Cl2 N2 O4 Rb -","- C32 H16 Cl8 N8 O16 Rb4 -","4","1","","Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija","Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state","Acta Crystallographica Section B","2014","70","1","181","190","10.1107/S2052520613027170","","","1.5418","CuKα","","0.0428","0.0413","","","0.1168","0.1182","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105744","6.6462","0.0001","18.2212","0.0003","9.7758","0.0002","90","","90","","90","","1183.87","0.04","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","CsDDQx2H2O","","","- C8 H4 Cl2 Cs N2 O4 -","- C8 H4 Cl2 Cs N2 O4 -","- C32 H16 Cl8 Cs4 N8 O16 -","4","1","","Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija","Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state","Acta Crystallographica Section B","2014","70","1","181","190","10.1107/S2052520613027170","","","1.5418","CuKα","","0.0373","0.0365","","","0.0918","0.0926","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105745","6.5601","0.0003","18.152","0.001","9.7345","0.0004","90","","90","","90","","1159.17","0.1","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","CsDDQx2H2O","","","- C8 H4 Cl2 Cs N2 O4 -","- C8 H4 Cl2 Cs N2 O4 -","- C32 H16 Cl8 Cs4 N8 O16 -","4","1","","Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija","Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state","Acta Crystallographica Section B","2014","70","1","181","190","10.1107/S2052520613027170","","","1.5418","CuKα","","0.0609","0.0589","","","0.1568","0.1591","","","","","","1.056","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105746","7.2598","0.0011","10.2744","0.0015","27.997","0.004","90","","90","","90","","2088.3","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N4 O4 -","- C22 H26 N4 O4 -","- C88 H104 N16 O16 -","4","1","BI5004","Bisht, Kamal Kumar; Patel, Priyank; Rachuri, Yadagiri; Eringathodi, Suresh","Binary co-crystals of the active pharmaceutical ingredient 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene and camphoric acid","Acta Crystallographica Section B","2014","70","1","63","71","10.1107/S2052520613031260","","","0.71073","MoKα","","0.0503","0.0485","","","0.1082","0.1092","","","","","","1.131","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105747","9.9568","0.0017","12.914","0.002","20.203","0.004","90","","95.734","0.003","90","","2584.7","0.8","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H62 N12 O8 -","- C56 H62 N12 O8 -","- C112 H124 N24 O16 -","2","1","BI5004","Bisht, Kamal Kumar; Patel, Priyank; Rachuri, Yadagiri; Eringathodi, Suresh","Binary co-crystals of the active pharmaceutical ingredient 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene and camphoric acid","Acta Crystallographica Section B","2014","70","1","63","71","10.1107/S2052520613031260","","","0.71073","MoKα","","0.0763","0.0712","","","0.1733","0.1777","","","","","","1.11","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105748","9.9407","0.001","12.9624","0.0013","20.247","0.002","90","","95.928","0.002","90","","2595","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 N12 O8 -","- C56 H62 N12 O8 -","- C112 H124 N24 O16 -","2","0.5","BI5004","Bisht, Kamal Kumar; Patel, Priyank; Rachuri, Yadagiri; Eringathodi, Suresh","Binary co-crystals of the active pharmaceutical ingredient 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene and camphoric acid","Acta Crystallographica Section B","2014","70","1","63","71","10.1107/S2052520613031260","","","0.71073","MoKα","","0.0604","0.0489","","","0.1121","0.1173","","","","","","1.121","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105749","8.522","0.0002","12.291","0.0003","14.309","0.0004","90","","90","","90","","1498.78","0.07","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(N-(2,6-difluorophenyl)formamide).(N-(2,6-dichlorophenyl)formamide) 0.73:0.27","","- C7 H5 Cl1.46 F0.54 N O -","- C7 H5 Cl1.456 F0.544 N O -","- C56 H40 Cl11.648 F4.352 N8 O8 -","8","1","GP5066","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides","Acta Crystallographica Section B","2014","70","1","106","114","10.1107/S2052520613022129","","","0.71073","MoKα","","0.0379","0.0359","","","0.089","0.0899","","","","","","1.254","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105750","8.5073","0.0012","13.093","0.002","14.448","0.002","90","","90","","90","","1609.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(N-(2,6-dichlorophenyl)formamide).(N-(2,6-dimethylphenyl)formamide) 0.48:0.52","","- C8.03 H8.1 Cl0.97 N O -","- C8.032 H8.096 Cl0.968 N O -","- C64.256 H64.768 Cl7.744 N8 O8 -","8","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides","Acta Crystallographica Section B","2014","70","1","106","114","10.1107/S2052520613022129","","","0.71073","MoKα","","0.0835","0.0449","","","0.1157","0.1544","","","","","","0.857","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105751","9.208","0.0001","13.142","0.0002","14.617","0.0003","90","","90","","90","","1768.83","0.05","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(N-(2,6-dichlorophenyl)thioamide).(N-(2,6-dimethylphenyl)thioamide) 0.11:0.89","","- C8.78 H10.35 Cl0.22 N S -","- C8.782 H10.346 Cl0.218 N S -","- C70.256 H82.768 Cl1.744 N8 S8 -","8","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides","Acta Crystallographica Section B","2014","70","1","106","114","10.1107/S2052520613022129","","","0.71073","MoKα","","0.0432","0.0347","","","0.0919","0.0967","","","","","","1.065","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105752","9.022","0.001","9.003","0.0009","16.005","0.0016","90","","103.17","0.005","90","","1265.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N-(2,6-diisopropylphenyl)formamide). (N-(2,6-diisopropylphenyl)thioamide) 0.54:0.46","","- C13 H19 N O0.5 S0.5 -","- C13 H19 N O0.536 S0.464 -","- C52 H76 N4 O2.144 S1.856 -","4","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides","Acta Crystallographica Section B","2014","70","1","106","114","10.1107/S2052520613022129","","","0.71073","MoKα","","0.1116","0.065","","","0.1807","0.2002","","","","","","1.115","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105753","7.368","0.002","13.121","0.004","16.247","0.004","90","","90","","90","","1570.7","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cl N4 O6 S2 -","- C13 H13 Cl N4 O6 S2 -","- C52 H52 Cl4 N16 O24 S8 -","4","1","BI5011","Sanphui, Palash; Rajput, Lalit","Tuning solubility and stability of hydrochlorothiazide co-crystals","Acta Crystallographica Section B","2014","70","1","81","90","10.1107/S2052520613026917","","","0.71073","MoKα","","0.0381","0.0367","","","0.096","0.107","","","","","","1.135","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105754","7.6531","0.001","13.2192","0.0016","16.148","0.002","90","","90","","90","","1633.7","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cl N5 O5 S2 -","- C13 H14 Cl N5 O5 S2 -","- C52 H56 Cl4 N20 O20 S8 -","4","1","BI5011","Sanphui, Palash; Rajput, Lalit","Tuning solubility and stability of hydrochlorothiazide co-crystals","Acta Crystallographica Section B","2014","70","1","81","90","10.1107/S2052520613026917","","","0.71073","MoKα","","0.0348","0.0336","","","0.0899","0.1004","","","","","","1.083","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105755","17.857","0.007","10.363","0.004","14.548","0.005","90","","96.459","0.004","90","","2675","1.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Cl2 N8 O10 S4 -","- C18 H24 Cl2 N8 O10 S4 -","- C72 H96 Cl8 N32 O40 S16 -","4","0.5","BI5011","Sanphui, Palash; Rajput, Lalit","Tuning solubility and stability of hydrochlorothiazide co-crystals","Acta Crystallographica Section B","2014","70","1","81","90","10.1107/S2052520613026917","","","0.71073","MoKα","","0.0286","0.0275","","","0.0744","0.0753","","","","","","1.092","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105756","12.7042","0.0013","10.8626","0.0007","18.5745","0.0018","90","","110.905","0.006","90","","2394.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl N5 O8 S2 -","- C21 H22 Cl N5 O8 S2 -","- C84 H88 Cl4 N20 O32 S8 -","4","1","BI5011","Sanphui, Palash; Rajput, Lalit","Tuning solubility and stability of hydrochlorothiazide co-crystals","Acta Crystallographica Section B","2014","70","1","81","90","10.1107/S2052520613026917","","","0.71073","MoKα","","0.0512","0.0443","","","0.1205","0.1392","","","","","","1.13","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105757","25.8297","0.001","8.756","0.0003","17.7432","0.0007","90","","99.951","0.002","90","","3952.5","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C3 H19 F N O18 P3 U2 -","- C3 H9 F N O18 P3 U2 -","- C24 H72 F8 N8 O144 P24 U16 -","8","1","BI5030","Monteiro, Bernardo; Fernandes, José A.; Pereira, Cláudia C. L.; Vilela, Sérgio M. F.; Tomé, João P. C.; Marçalo, Joaquim; Almeida Paz, Filipe A.","Metal-organic frameworks based on uranyl and phosphonate ligands","Acta Crystallographica Section B","2014","70","1","28","36","10.1107/S2052520613034781","","","0.71073","MoKα","","0.0322","0.0256","","","0.056","0.0585","","","","","","1.061","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105758","10.9522","0.0013","6.4691","0.0007","9.2802","0.001","90","","96.333","0.009","90","","653.5","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 O8 P2 U -","- C8 H10 O8 P2 U -","- C16 H20 O16 P4 U2 -","2","0.5","BI5030","Monteiro, Bernardo; Fernandes, José A.; Pereira, Cláudia C. L.; Vilela, Sérgio M. F.; Tomé, João P. C.; Marçalo, Joaquim; Almeida Paz, Filipe A.","Metal-organic frameworks based on uranyl and phosphonate ligands","Acta Crystallographica Section B","2014","70","1","28","36","10.1107/S2052520613034781","","","0.71073","MoKα","","0.0795","0.0339","","","0.0513","0.0598","","","","","","0.997","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105759","8.7982","0.0003","11.8876","0.0004","12.6446","0.0004","95.219","0.002","106.752","0.002","96.98","0.002","1245.89","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H28 O20 P3 U1.5 -","- C9 H27 O20 P3 U1.5 -","- C18 H54 O40 P6 U3 -","2","1","BI5030","Monteiro, Bernardo; Fernandes, José A.; Pereira, Cláudia C. L.; Vilela, Sérgio M. F.; Tomé, João P. C.; Marçalo, Joaquim; Almeida Paz, Filipe A.","Metal-organic frameworks based on uranyl and phosphonate ligands","Acta Crystallographica Section B","2014","70","1","28","36","10.1107/S2052520613034781","","","0.71073","MoKα","","0.0267","0.0205","","","0.0393","0.0414","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2105760","10.3947","0.0003","17.5546","0.0005","47.27","0.0014","90","","91.321","0.002","90","","8623.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","18-crown-6/bis(4-aminobenzoic acid)","","- C26 H38 N2 O10 -","- C26 H38 N2 O10 -","- C312 H456 N24 O120 -","12","3","BI5005","Boardman, Nicole D.; Munshi, Tasnim; Scowen, Ian J.; Seaton, Colin C.","Creation of a ternary complex between a crown ether, 4-aminobenzoic acid and 3,5-dinitrobenzoic acid","Acta Crystallographica Section B","2014","70","1","132","140","10.1107/S2052520613026036","","","0.71073","MoKα","","0.1236","0.0732","","","0.1679","0.1987","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105761","7.6055","0.0002","16.0157","0.0004","16.4476","0.0004","73.156","0.002","85.54","0.002","89.562","0.001","1911.45","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","18-crown-6/4-aminobenzoic acid/bis(3,5-dinitrobenzoic acid)","","- C33 H39 N5 O20 -","- C33 H39 N5 O20 -","- C66 H78 N10 O40 -","2","1","","Boardman, Nicole D.; Munshi, Tasnim; Scowen, Ian J.; Seaton, Colin C.","Creation of a ternary complex between a crown ether, 4-aminobenzoic acid and 3,5-dinitrobenzoic acid","Acta Crystallographica Section B","2014","70","1","132","140","10.1107/S2052520613026036","","","0.71073","MoKα","","0.0958","0.0466","","","0.0947","0.1119","","","","","","1.011","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105762","11.8719","0.0004","14.1629","0.0005","21.9663","0.0007","90","","95.342","0.001","90","","3677.4","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 N6 Ni O8 S2 -","- C34 H36 N6 Ni O8 S2 -","- C136 H144 N24 Ni4 O32 S8 -","4","2","BI5029","Soliman, Saied M.; Elzawy, Zahia B.; Abu-Youssef, Morsy A. M.; Albering, Jörg; Gatterer, Karl; Öhrström, Lars; Kettle, Sidney F. A.","Towards the chemical control of molecular packing: syntheses and crystal structures of three <i>trans</i>-[Ni<i>L</i>~4~(NCS)~2~] complexes","Acta Crystallographica Section B","2014","70","1","115","125","10.1107/S2052520613034665","","","0.71073","MoKα","","0.0396","0.0301","","","0.0671","0.072","","","","","","0.964","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105763","11.8991","0.0003","51.4066","0.0012","14.1366","0.0003","90","","99.498","0.001","90","","8528.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N6 Ni O8 S2 -","- C30 H28 N6 Ni O8 S2 -","- C300 H280 N60 Ni10 O80 S20 -","10","2.5","BI5029","Soliman, Saied M.; Elzawy, Zahia B.; Abu-Youssef, Morsy A. M.; Albering, Jörg; Gatterer, Karl; Öhrström, Lars; Kettle, Sidney F. A.","Towards the chemical control of molecular packing: syntheses and crystal structures of three <i>trans</i>-[Ni<i>L</i>~4~(NCS)~2~] complexes","Acta Crystallographica Section B","2014","70","1","115","125","10.1107/S2052520613034665","","","0.71073","MoKα","","0.0691","0.05","","","0.1203","0.1274","","","","","","1.068","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105764","8.9345","0.0003","20.8306","0.0006","11.1406","0.0003","90","","90.66","0.001","90","","2073.25","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H36 N6 Ni O4 S2 -","- C50 H36 N6 Ni O4 S2 -","- C100 H72 N12 Ni2 O8 S4 -","2","0.5","BI5029","Soliman, Saied M.; Elzawy, Zahia B.; Abu-Youssef, Morsy A. M.; Albering, Jörg; Gatterer, Karl; Öhrström, Lars; Kettle, Sidney F. A.","Towards the chemical control of molecular packing: syntheses and crystal structures of three <i>trans</i>-[Ni<i>L</i>~4~(NCS)~2~] complexes","Acta Crystallographica Section B","2014","70","1","115","125","10.1107/S2052520613034665","","","0.71073","MoKα","","0.0293","0.0268","","","0.0696","0.0715","","","","","","0.884","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105765","22.076","0.003","14.793","0.0018","45.863","0.006","90","","93.501","0.003","90","","14950","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H96 Ag22 F48 O44 S12 -","- C86 H96 Ag22 F48 O44 S12 -","- C344 H384 Ag88 F192 O176 S48 -","4","0.5","BI5014","Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W.","Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles","Acta Crystallographica Section B","2014","70","1","37","46","10.1107/S2052520614000171","","","0.71073","MoKα","","0.1116","0.0764","","","0.1812","0.1999","","","","","","1.078","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105766","21.9927","0.0013","14.8488","0.0013","45.797","0.003","90","","93.937","0.002","90","","14920.4","1.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C89 H102 Ag22 F48 O44 S12 -","- C89 H102 Ag22 F48 O44 S12 -","- C356 H408 Ag88 F192 O176 S48 -","4","0.5","BI5014","Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W.","Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles","Acta Crystallographica Section B","2014","70","1","37","46","10.1107/S2052520614000171","","","0.71073","MoKα","","0.0703","0.0638","","","0.1589","0.1641","","","","","","1.143","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105767","17.8567","0.0017","21.007","0.002","16.044","0.003","90","","117.802","0.001","90","","5323.6","1.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H42 Ag7 F15 O15 S5 -","- C32 H42 Ag7 F15 O15 S5 -","- C128 H168 Ag28 F60 O60 S20 -","4","1","BI5014","Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W.","Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles","Acta Crystallographica Section B","2014","70","1","37","46","10.1107/S2052520614000171","","","0.71073","MoKα","","0.0883","0.0658","","","0.1547","0.1653","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105768","13.435","0.0015","13.8806","0.0015","16.3609","0.0018","110.194","0.002","106.492","0.002","104.003","0.002","2542.2","0.5","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C31 H38 Ag7 F15 O14 S4 -","- C31 H38 Ag7 F15 O14 S4 -","- C62 H76 Ag14 F30 O28 S8 -","2","2","BI5014","Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W.","Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles","Acta Crystallographica Section B","2014","70","1","37","46","10.1107/S2052520614000171","","","0.71073","MoKα","","0.0902","0.0865","","","0.2315","0.2351","","","","","","1.05","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105769","23.394","0.002","13.9512","0.0012","10.792","0.0009","90","","102.214","0.001","90","","3442.5","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Ag7 F15 O12 -","- C20 H12 Ag7 F15 O12 -","- C80 H48 Ag28 F60 O48 -","4","0.5","BI5014","Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W.","Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles","Acta Crystallographica Section B","2014","70","1","37","46","10.1107/S2052520614000171","","","0.71073","MoKα","","0.0492","0.0467","","","0.1224","0.1249","","","","","","1.068","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105770","8.9453","0.0009","24.902","0.003","14.4248","0.0016","90","","105.016","0.002","90","","3103.5","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H25 Ag9 F27 N3 O18 -","- C43 H25 Ag9 F27 N3 O18 -","- C86 H50 Ag18 F54 N6 O36 -","2","1","BI5014","Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W.","Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles","Acta Crystallographica Section B","2014","70","1","37","46","10.1107/S2052520614000171","","","0.71073","MoKα","","0.0382","0.0357","","","0.096","0.0982","","","","","","1.028","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105771","12.427","0.003","14.132","0.003","16.384","0.006","96.481","0.005","108.935","0.005","115.229","0.004","2353.5","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 Ag7 F15 N4 O10 -","- C40 H24 Ag7 F15 N4 O10 -","- C80 H48 Ag14 F30 N8 O20 -","2","1","BI5014","Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W.","Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles","Acta Crystallographica Section B","2014","70","1","37","46","10.1107/S2052520614000171","","","0.71073","MoKα","","0.1064","0.0825","","","0.1984","0.214","","","","","","1.04","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105772","16.861","0.006","24.431","0.009","26.723","0.01","90","","90","","90","","11008","7","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H9 Ag11 Br2 F27 N O21 -","- C26 H9 Ag11 Br2 F27 N O21 -","- C208 H72 Ag88 Br16 F216 N8 O168 -","8","1","BI5014","Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W.","Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles","Acta Crystallographica Section B","2014","70","1","37","46","10.1107/S2052520614000171","","","0.71073","MoKα","","0.0764","0.0546","","","0.1369","0.1537","","","","","","1.084","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105773","8.0917","0.0013","8.868","0.0012","10.115","0.002","86.994","0.017","73.002","0.016","68.172","0.015","643.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H17 Eu O11 -","- C7 H17 Eu O11 -","- C14 H34 Eu2 O22 -","2","1","BI5013","Cañadillas-Delgado, Laura; Fabelo, Óscar; Pasán, Jorge; Déniz, Mariadel; Martínez-Benito, Carla; Díaz-Gallifa, Pau; Martín, Tomás; Ruiz-Pérez, Catalina","Three new europium(III) methanetriacetate metal-organic frameworks: the influence of synthesis on the product topology","Acta Crystallographica Section B","2014","70","1","19","27","10.1107/S2052520613034550","","","0.71073","MoKα","","0.0265","0.0235","","","0.0578","0.0593","","","","","","1.1","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105774","17.4543","0.0019","7.8087","0.0006","14.9761","0.0018","90","","90","","90","","2041.2","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H11 Eu O8 -","- C7 H11 Eu O8 -","- C56 H88 Eu8 O64 -","8","2","BI5013","Cañadillas-Delgado, Laura; Fabelo, Óscar; Pasán, Jorge; Déniz, Mariadel; Martínez-Benito, Carla; Díaz-Gallifa, Pau; Martín, Tomás; Ruiz-Pérez, Catalina","Three new europium(III) methanetriacetate metal-organic frameworks: the influence of synthesis on the product topology","Acta Crystallographica Section B","2014","70","1","19","27","10.1107/S2052520613034550","","","0.7107","MoKα","","0.0664","0.0634","","","0.1621","0.1666","","","","","","1.139","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105775","14.1085","0.0003","7.7825","0.0002","18.0083","0.0004","90","","90","","90","","1977.3","0.08","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C7 H11 Eu O8 -","- C7 H11 Eu O8 -","- C56 H88 Eu8 O64 -","8","1","BI5013","Cañadillas-Delgado, Laura; Fabelo, Óscar; Pasán, Jorge; Déniz, Mariadel; Martínez-Benito, Carla; Díaz-Gallifa, Pau; Martín, Tomás; Ruiz-Pérez, Catalina","Three new europium(III) methanetriacetate metal-organic frameworks: the influence of synthesis on the product topology","Acta Crystallographica Section B","2014","70","1","19","27","10.1107/S2052520613034550","","","0.71073","MoKα","","0.0323","0.0291","","","0.072","0.074","","","","","","1.134","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105776","14.607","0.0004","12.0315","0.0003","20.9654","0.0007","90","","90","","90","","3684.55","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H8 I2 N2 S6 -","- C12 H8 I2 N2 S6 -","- C96 H64 I16 N16 S48 -","8","1","BI5028","Lieffrig, Julien; Jeannin, Olivier; Vacher, Antoine; Lorcy, Dominique; Auban-Senzier, Pascale; Fourmigué, Marc","C—I···NC halogen bonding in two polymorphs of the mixed-valence 2:1 charge-transfer salt (EDT-TTF-I~2~)~2~(TCNQF~4~), with segregated <i>versus</i> alternated stacks","Acta Crystallographica Section B","2014","70","1","141","148","10.1107/S2052520613032629","","","0.71073","MoKα","","0.0386","0.0301","","","0.0595","0.0625","","","","","","1.072","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105777","17.3371","0.0005","12.6274","0.0004","6.3276","0.0002","90","","90","","90","","1385.25","0.07","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H4 I2 S6 -","- C8 H4 I2 S6 -","- C32 H16 I8 S24 -","4","0.5","BI5028","Lieffrig, Julien; Jeannin, Olivier; Vacher, Antoine; Lorcy, Dominique; Auban-Senzier, Pascale; Fourmigué, Marc","C—I···NC halogen bonding in two polymorphs of the mixed-valence 2:1 charge-transfer salt (EDT-TTF-I~2~)~2~(TCNQF~4~), with segregated <i>versus</i> alternated stacks","Acta Crystallographica Section B","2014","70","1","141","148","10.1107/S2052520613032629","","","0.71073","MoKα","","0.0231","0.0219","","","0.0426","0.043","","","","","","1.118","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105778","4.8311","0.0002","12.0457","0.0004","16.6577","0.0006","91.128","0.002","92.95","0.002","94.213","0.002","965.21","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H8 F4 I4 N4 S12 -","- C28 H8 F4 I4 N4 S12 -","- C28 H8 F4 I4 N4 S12 -","1","0.5","BI5028","Lieffrig, Julien; Jeannin, Olivier; Vacher, Antoine; Lorcy, Dominique; Auban-Senzier, Pascale; Fourmigué, Marc","C—I···NC halogen bonding in two polymorphs of the mixed-valence 2:1 charge-transfer salt (EDT-TTF-I~2~)~2~(TCNQF~4~), with segregated <i>versus</i> alternated stacks","Acta Crystallographica Section B","2014","70","1","141","148","10.1107/S2052520613032629","","","0.71073","MoKα","","0.0615","0.0354","","","0.073","0.0818","","","","","","1.085","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105779","11.003","0.0004","12.7689","0.0004","14.9201","0.0005","104.906","0.002","106.449","0.002","95.863","0.002","1907.83","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H8 F4 I4 N4 S12 -","- C28 H8 F4 I4 N4 S12 -","- C56 H16 F8 I8 N8 S24 -","2","1","BI5028","Lieffrig, Julien; Jeannin, Olivier; Vacher, Antoine; Lorcy, Dominique; Auban-Senzier, Pascale; Fourmigué, Marc","C—I···NC halogen bonding in two polymorphs of the mixed-valence 2:1 charge-transfer salt (EDT-TTF-I~2~)~2~(TCNQF~4~), with segregated <i>versus</i> alternated stacks","Acta Crystallographica Section B","2014","70","1","141","148","10.1107/S2052520613032629","","","0.71073","MoKα","","0.0969","0.0571","","","0.1406","0.1617","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105780","8.4853","0.0002","13.424","0.0003","14.8856","0.0004","111.725","0.0016","92.8464","0.0015","93.5278","0.0009","1567.35","0.07","293","","293","","","","","","","","","4","P -1","-P 1","2","caffeine:anthranilic acid co-crystal","","","- C15 H17 N5 O4 -","- C15 H17 N5 O4 -","- C60 H68 N20 O16 -","4","2","BI5010","Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William","Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid","Acta Crystallographica Section B","2014","70","1","72","80","10.1107/S2052520613033167","powder diffraction","","1.03379","Synchrotron","","","","","","","","","0.003","1.894","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105781","14.53798","0.00014","11.0793","0.00008","10.02456","0.00007","90","","90","","90","","1614.66","0.02","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","caffeine:anthranilic acid co-crystal","","","- C15 H17 N5 O4 -","- C15 H17 N5 O4 -","- C60 H68 N20 O16 -","4","1","","Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William","Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid","Acta Crystallographica Section B","2014","70","1","72","80","10.1107/S2052520613033167","powder diffraction","","1.03379","Synchrotron","","","","","","","","","0.002","1.296","","","","","","","has coordinates,has Fobs","209314","2020-10-21","18:00:00",""
"2105782","12.439","0.0002","13.1409","0.0002","13.2251","0.0003","69.439","0.001","80.418","0.001","63.557","0.001","1812.17","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","caffeine:anthranilic acid hemichlorobenzene","","","- C36 H39 Cl N10 O8 -","- C36 H39 Cl N10 O8 -","- C72 H78 Cl2 N20 O16 -","2","1","","Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William","Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid","Acta Crystallographica Section B","2014","70","1","72","80","10.1107/S2052520613033167","","","0.71073","MoKα","","0.105","0.0435","","","0.1033","0.111","","","","","","0.892","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105783","12.569","0.003","13.409","0.003","13.269","0.003","68.991","0.004","80.215","0.005","64.007","0.004","1876.3","0.8","293","","293","","","","","","","","","5","P -1","-P 1","2","caffeine:anthranilic acid hemibromobenzene","","","- C36 H39 Br N10 O8 -","- C36 H39 Br N10 O8 -","- C72 H78 Br2 N20 O16 -","2","1","","Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William","Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid","Acta Crystallographica Section B","2014","70","1","72","80","10.1107/S2052520613033167","powder diffraction","","1.5418","CuKα","","","","","","","","","0.016","1.47","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105784","12.475","0.009","13.488","0.009","13.316","0.009","68.318","0.011","79.948","0.016","64.124","0.011","1873","2","293","","293","","","","","","","","","4","P -1","-P 1","2","caffeine:anthranilic acid hemitoluene","","","- C37 H42 N10 O8 -","- C37 H42 N10 O8 -","- C74 H84 N20 O16 -","2","1","","Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William","Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid","Acta Crystallographica Section B","2014","70","1","72","80","10.1107/S2052520613033167","powder diffraction","","1.5418","CuKα","","","","","","","","","0.007","1.104","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105785","6.7113","0.0003","13.5803","0.0006","23.579","0.002","87.1","0.002","88.572","0.002","86.065","0.002","2140.7","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","caffeine:anthranilic acid mono toluene","","","- C22 H25 N5 O4 -","- C22 H25 N5 O4 -","- C88 H100 N20 O16 -","4","2","","Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William","Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid","Acta Crystallographica Section B","2014","70","1","72","80","10.1107/S2052520613033167","","","0.71073","MoKα","","0.1682","0.1329","","","0.3294","0.3598","","","","","","1.357","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105786","13.8492","0.0003","6.789","0.0002","23.396","0.0007","90","","92.26","0.001","90","","2198.03","0.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","caffeine:anthranilic acid mono o-xylene","","","- C23 H27 N5 O4 -","- C23 H27 N5 O4 -","- C92 H108 N20 O16 -","4","1","","Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William","Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid","Acta Crystallographica Section B","2014","70","1","72","80","10.1107/S2052520613033167","","","0.71073","MoKα","","0.1708","0.1274","","","0.4121","0.4355","","","","","","1.547","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105787","6.8474","0.0008","13.431","0.002","14.44","0.003","77.009","0.003","86.596","0.004","88.687","0.008","1291.7","0.4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","caffeine:anthranilic acid sesqui p-xylene","","","- C27 H32 N5 O4 -","- C27 H32 N5 O4 -","- C54 H64 N10 O8 -","2","1","","Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William","Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid","Acta Crystallographica Section B","2014","70","1","72","80","10.1107/S2052520613033167","","","0.71073","MoKα","","0.1407","0.0857","","","0.1983","0.2259","","","","","","0.974","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105788","10.2641","0.0002","26.9469","0.0007","11.9845","0.0003","90","","103.547","0.002","90","","3222.52","0.13","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","caffeine:anthranilic acid monohydrate","","","- C15 H19 N5 O5 -","- C15 H19 N5 O5 -","- C120 H152 N40 O40 -","8","2","","Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William","Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid","Acta Crystallographica Section B","2014","70","1","72","80","10.1107/S2052520613033167","","","0.71073","MoKα","","0.1233","0.0564","","","0.1394","0.1632","","","","","","0.959","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105789","6.5769","0.001","21.905","0.003","11.0496","0.0016","90","","112.912","0.006","90","","1466.3","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theobromine:anthranilic acid co-crystal","","","- C14 H15 N5 O4 -","- C14 H15 N5 O4 -","- C56 H60 N20 O16 -","4","1","","Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William","Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid","Acta Crystallographica Section B","2014","70","1","72","80","10.1107/S2052520613033167","powder diffraction","","1.5418","CuKα","","","","","","","","","0.023","3.722","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105792","7.0685","0.0004","19.792","0.0005","23.4724","0.0006","90","","95.372","0.004","90","","3269.4","0.2","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","K9 S8 O33 H9","","","- H9 K9 O33 S8 -","- H9.0001 K9 O33 S8 -","- H36.0004 K36 O132 S32 -","4","1","BP5061","Makarova, Irina; Grebenev, Vadim; Dmitricheva, Elena; Dolbinina, Valentina; Chernyshov, Dmitry","<i>M~m~</i>H~<i>n~</i>(<i>X</i>O~4~)~(<i>m~+{ıt n</i>)/2} crystals: structure, phase transitions, hydrogen bonds, conductivity. I. K~9~H~7~(SO~4~)~8~·H~2~O crystals ‒ a new representative of the family of solid acid conductors","Acta Crystallographica Section B","2014","70","2","218","226","10.1107/S2052520613029892","","","0.696","synchrotron","","0.032","0.032","","","0.0463","0.0463","","","","","","2.99","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105793","7.1474","0.0003","19.7761","0.0004","23.2542","0.0005","90","","90","","90","","3286.93","0.17","405","","405","","","","","","","","","4","P c a n","-P 2n 2c","60","K9 S8 O32 H7","","","- H7 K9 O32 S8 -","- H7 K9.5688 O32 S8 -","- H28 K38.2752 O128 S32 -","4","0.5","BP5061","Makarova, Irina; Grebenev, Vadim; Dmitricheva, Elena; Dolbinina, Valentina; Chernyshov, Dmitry","<i>M~m~</i>H~<i>n~</i>(<i>X</i>O~4~)~(<i>m~+{ıt n</i>)/2} crystals: structure, phase transitions, hydrogen bonds, conductivity. I. K~9~H~7~(SO~4~)~8~·H~2~O crystals ‒ a new representative of the family of solid acid conductors","Acta Crystallographica Section B","2014","70","2","218","226","10.1107/S2052520613029892","","","0.696","synchrotron","","0.0385","0.0385","","","0.048","0.048","","","","","","4.69","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105794","3.8114","0.0003","3.8712","0.0003","11.6824","0.0007","90","","90","","90","","172.37","0.02","293","2","293","2","","","","","","","","5","P m m m","-P 2 2","47","","","","- Ba2 Ca0.07 Cu3 O6.85 Y0.93 -","- Ba2 Ca0.07 Cu3 O6.85 Y0.935 -","- Ba2 Ca0.07 Cu3 O6.85 Y0.935 -","1","0.125","BP5058","Bertolotti, Federica; Calore, Leandro; Gervasio, Giuliana; Agostino, Angelo; Truccato, Marco; Operti, Lorenza","X-ray crystal structures of Al-doped (Y,Ca)Ba~2~Cu~3~O~7{-~<i>y</i>} whiskers","Acta Crystallographica Section B","2014","70","2","236","242","10.1107/S2052520613029351","","","0.71073","MoKα","","0.0333","0.0318","","","0.081","0.0825","","","","","","1.032","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105795","3.838","0.0002","3.8735","0.0002","11.6947","0.0005","90","","90","","90","","173.859","0.015","293","2","293","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- Al0.06 Ba2 Ca0.06 Cu2.94 O6.81 Y0.94 -","- Al0.06 Ba2 Ca0.06 Cu2.943 O6.81 Y0.935 -","- Al0.06 Ba2 Ca0.06 Cu2.943 O6.81 Y0.935 -","1","0.125","","Bertolotti, Federica; Calore, Leandro; Gervasio, Giuliana; Agostino, Angelo; Truccato, Marco; Operti, Lorenza","X-ray crystal structures of Al-doped (Y,Ca)Ba~2~Cu~3~O~7{-~<i>y</i>} whiskers","Acta Crystallographica Section B","2014","70","2","236","242","10.1107/S2052520613029351","","","0.71073","MoKα","","0.0189","0.0182","","","0.0501","0.0505","","","","","","1.08","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105796","3.8595","0.0002","3.8595","0.0002","11.6456","0.0008","90","","90","","90","","173.47","0.017","293","2","293","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- Al0.3 Ba1.92 Ca0.2 Cu2.7 O6.76 Y0.88 -","- Al0.31 Ba1.928 Ca0.2 Cu2.695 O6.76 Y0.884 -","- Al0.31 Ba1.928 Ca0.2 Cu2.695 O6.76 Y0.884 -","1","0.0625","","Bertolotti, Federica; Calore, Leandro; Gervasio, Giuliana; Agostino, Angelo; Truccato, Marco; Operti, Lorenza","X-ray crystal structures of Al-doped (Y,Ca)Ba~2~Cu~3~O~7{-~<i>y</i>} whiskers","Acta Crystallographica Section B","2014","70","2","236","242","10.1107/S2052520613029351","","","0.71073","MoKα","","0.0164","0.0158","","","0.0384","0.0387","","","","","","1.381","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105797","3.7601","0.0001","11.2911","0.0003","14.6877","0.0004","90","","90","","90","","623.58","0.03","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pyrazine-2-carboxyamide","","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C24 H28 N12 O4 -","4","1","GW5026","Rajalakshmi, Gnanasekaran; Hathwar, Venkatesha R.; Kumaradhas, Poomani","Topological analysis of electron density and the electrostatic properties of isoniazid: an experimental and theoretical study","Acta Crystallographica Section B","2014","70","2","331","341","10.1107/S2052520613033209","","","0.71073","MoKα","","0.0214","0.0145","","","0.016","0.0172","","","","","","1.02","","","","has coordinates,has Fobs","192335","2020-10-21","18:00:00",""
"2105798","4.2651","0.0004","4.2651","0.0004","21.929","0.003","90","","90","","120","","345.47","0.07","299.9","0.2","299.9","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium Lanthanum sulfide","","- K La S2 -","- K La S2 -","- K3 La3 S6 -","3","0.0833333","BP5060","Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel","Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series","Acta Crystallographica Section B","2014","70","2","360","371","10.1107/S2052520613034574","","","0.7107","MoKα","","0.0279","0.0278","","","0.0734","0.0734","","","","","","2.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105799","4.1925","0.0003","4.1925","0.0003","21.892","0.0014","90","","90","","120","","333.24","0.04","301.5","0.3","301.5","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium praseodym sulfide","","- K Pr S2 -","- K Pr S2 -","- K3 Pr3 S6 -","3","0.0833333","BP5060","Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel","Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series","Acta Crystallographica Section B","2014","70","2","360","371","10.1107/S2052520613034574","","","0.7107","MoKα","","0.0206","0.0164","","","0.0526","0.0555","","","","","","1.78","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105800","4.0981","0.0003","4.0981","0.0003","21.8212","0.0015","90","","90","","120","","317.38","0.04","302.1","0.19","302.1","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium europium sulfide","","- Eu K S2 -","- Eu K S2 -","- Eu3 K3 S6 -","3","0.0833333","BP5060","Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel","Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series","Acta Crystallographica Section B","2014","70","2","360","371","10.1107/S2052520613034574","","","0.7107","MoKα","","0.0102","0.0102","","","0.0247","0.0247","","","","","","0.9","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105801","4.0715","0.0007","4.0715","0.0007","21.901","0.004","90","","90","","120","","314.42","0.1","302.58","","302.58","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium gadolinium sulfide","","- Gd K S2 -","- Gd K S2 -","- Gd3 K3 S6 -","3","0.0833333","BP5060","Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel","Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series","Acta Crystallographica Section B","2014","70","2","360","371","10.1107/S2052520613034574","","","0.7107","MoKα","","0.0353","0.0346","","","0.0924","0.0926","","","","","","2.88","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105802","3.949","0.0004","3.949","0.0004","21.871","0.003","90","","90","","120","","295.37","0.06","301","","301","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Potassium lutetium sulphide","","- K Lu S2 -","- K Lu S2 -","- K3 Lu3 S6 -","3","0.0833333","BP5060","Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel","Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series","Acta Crystallographica Section B","2014","70","2","360","371","10.1107/S2052520613034574","","","0.7107","MoKα","","0.0236","0.0236","","","0.0555","0.0555","","","","","","1.85","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105803","4.0216","0.0005","4.0216","0.0005","21.884","0.004","90","","90","","120","","306.52","0.08","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","Potassium yttrium sulfide","","","- K S2 Y -","- K S2 Y -","- K3 S6 Y3 -","3","0.0833333","BP5060","Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel","Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series","Acta Crystallographica Section B","2014","70","2","360","371","10.1107/S2052520613034574","","","0.7107","MoKα","","0.0205","0.0197","","","0.0494","0.0499","","","","","","1.45","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105804","4.0444","0.0003","4.0444","0.0003","22.8267","0.0016","90","","90","","120","","323.36","0.04","301.5","","301.5","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Rubidium yttrium sulfide","","- Rb S2 Y -","- Rb S2 Y -","- Rb3 S6 Y3 -","3","0.0833333","BP5060","Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel","Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series","Acta Crystallographica Section B","2014","70","2","360","371","10.1107/S2052520613034574","","","0.7107","MoKα","","0.0386","0.0346","","","0.086","0.0977","","","","","","2.98","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105805","5.8766","0.0007","5.8766","0.0007","5.8766","0.0007","90","","90","","90","","202.95","0.04","301","2","301","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sodium lanthanum sulfide","","- La Na S2 -","- La Na S2 -","- La2 Na2 S4 -","2","0.0104167","BP5060","Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel","Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series","Acta Crystallographica Section B","2014","70","2","360","371","10.1107/S2052520613034574","","","0.7107","MoKα","","0.012","0.012","","","0.0284","0.0284","","","","","","1.48","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105806","12.8297","0.0002","12.8297","0.0002","57.286","0.001","90","","90","","120","","8166.1","0.2","300","2","300","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Fe13 Zn126 -","- Fe13 Zn126 -","- Fe52 Zn504 -","4","0.166667","DK5020","Okamoto, Norihiko L.; Tanaka, Katsushi; Yasuhara, Akira; Inui, Haruyuki","Structure refinement of the δ~1<i>p~</i> phase in the Fe‒Zn system by single-crystal X-ray diffraction combined with scanning transmission electron microscopy","Acta Crystallographica Section B","2014","70","2","275","282","10.1107/S2052520613034410","","","0.3545","Synchrotron","","0.0387","0.0314","","","0.1197","0.1272","","","","","","1.025","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105807","11.587","0.0003","8.7174","0.0002","14.8813","0.0004","90","","115.147","0.0013","90","","1360.67","0.06","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Xylazine hydrochloride A form","2-(2,6-xylidino)-5,6-dihydro-4H-1,3-thiazine hydrochloride","","- C12 H17 Cl N2 S -","- C12 H17 Cl N2 S -","- C48 H68 Cl4 N8 S4 -","4","1","ZB5033","Zvirgzdins, Alvis; Mishnev, Anatolijs; Actins, Andris","Structure determination of three polymorphs of xylazine from laboratory powder diffraction data","Acta Crystallographica Section B","2014","70","2","342","346","10.1107/S2052520614001140","powder diffraction","","1.54184","CuKα","","","","","","","","","0.037","1.34","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105808","12.45","0.0005","11.6223","0.0005","9.3622","0.0004","90","","97.41","0.003","90","","1343.37","0.1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Xylazine hydrochloride Z form","2-(2,6-xylidino)-5,6-dihydro-4H-1,3-thiazine hydrochloride","","- C12 H17 Cl N2 S -","- C12 H17 Cl N2 S -","- C48 H68 Cl4 N8 S4 -","4","1","ZB5033","Zvirgzdins, Alvis; Mishnev, Anatolijs; Actins, Andris","Structure determination of three polymorphs of xylazine from laboratory powder diffraction data","Acta Crystallographica Section B","2014","70","2","342","346","10.1107/S2052520614001140","powder diffraction","","1.54184","CuKα","","","","","","","","","0.001","1.35","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105809","12.1155","0.0013","8.3857","0.0007","13.5322","0.0015","90","","94.921","0.006","90","","1369.8","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Xylazine hydrochloride X form","2-(2,6-xylidino)-5,6-dihydro-4H-1,3-thiazine hydrochloride","","- C12 H17 Cl N2 S -","- C12 H17 Cl N2 S -","- C48 H68 Cl4 N8 S4 -","4","1","ZB5033","Zvirgzdins, Alvis; Mishnev, Anatolijs; Actins, Andris","Structure determination of three polymorphs of xylazine from laboratory powder diffraction data","Acta Crystallographica Section B","2014","70","2","342","346","10.1107/S2052520614001140","powder diffraction","","1.54184","CuKα","","","","","","","","","0.011","1.32","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105810","2.7679","","4.7942","","4.3864","","90","","90","","90","","58.207","","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Li Zn3.175 -","- Li0.958 Zn3.042 -","- Li0.958 Zn3.042 -","1","0.0625","BP5054","Pavlyuk, Volodymyr; Chumak, Ihor; Akselrud, Lev; Lidin, Sven; Ehrenberg, Helmut","LiZn~4{-~<i>x</i>} (<i>x</i> = 0.825) as a (3+1)-dimensional modulated derivative of hexagonal close packing","Acta Crystallographica Section B","2014","70","2","212","217","10.1107/S2052520613030709","","x-ray","0.71069","MoKα","","0.0693","0.0623","","","0.0875","0.088","","","","3.96","3.96","3.7","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105811","16.70954","0.00081","12.37731","0.00046","13.21351","0.00047","90","","101.642","0.0029","90","","2676.59","0.19","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","loperamide hydrochloride anhydrate","4-(p-Chlorophenyl)-4-hydroxy-N,N-dimethyl-α,α-diphenyl-1-piperidinebutyramide hydrochloride","","- C29 H34 Cl2 N2 O2 -","- C29 H34 Cl2 N2 O2 -","- C116 H136 Cl8 N8 O8 -","4","1","OG5067","Habermehl, Stefan; Mörschel, Philipp; Eisenbrandt, Pierre; Hammer, Sonja M.; Schmidt, Martin U.","Structure determination from powder data without prior indexing, using a similarity measure based on cross-correlation functions","Acta Crystallographica Section B","2014","70","2","347","359","10.1107/S2052520613033994","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.03","2.254","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105812","20.14922","0.00038","23.95453","0.0005","8.85344","0.00021","90","","90","","90","","4273.25","0.16","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Clarithromycin","6-O-Methylerythromycin A","","- C38 H69 N O13 -","- C38 H69 N O13 -","- C152 H276 N4 O52 -","4","1","OG5067","Habermehl, Stefan; Mörschel, Philipp; Eisenbrandt, Pierre; Hammer, Sonja M.; Schmidt, Martin U.","Structure determination from powder data without prior indexing, using a similarity measure based on cross-correlation functions","Acta Crystallographica Section B","2014","70","2","347","359","10.1107/S2052520613033994","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.008","1.535","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105813","5.4353","0.0001","5.4353","0.0001","10.8464","0.0003","90","","90","","90","","320.43","0.012","293","","293","","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cu2 S4 Sn Zn -","- Cu2 S4 Sn Zn -","- Cu4 S8 Sn2 Zn2 -","2","0.125","DK5022","Lafond, Alain; Choubrac, Léo; Guillot-Deudon, Catherine; Fertey, Pierre; Evain, Michel; Jobic, Stéphane","X-ray resonant single-crystal diffraction technique, a powerful tool to investigate the kesterite structure of the photovoltaic Cu~2~ZnSnS~4~ compound","Acta Crystallographica Section B","2014","70","2","390","394","10.1107/S2052520614003138","","","0.66842","","","0.0294","0.0294","","0.0741","0.0741","","","","1.6","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105816","8.3471","0.001","8.3471","0.001","16.809","0.006","90","","90","","90","","1171.2","0.5","","","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Al28 Si20 U16 -","- Al7 Si5 U4 -","- Al28 Si20 U16 -","4","0.125","HW5030","Rafailov, Gennady; Dahan, Isaac; Meshi, Louisa","New ordered phase in the quasi-binary UAl~3~‒USi~3~ system","Acta Crystallographica Section B","2014","70","3","580","585","10.1107/S2052520614003801","","","1.5406","","","0.0332","0.0321","","","0.1459","0.1899","","","","","","2.034","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105817","3.6173","0.0003","6.7413","0.0005","22.4625","0.0016","90","","92.395","0.004","90","","547.28","0.07","100","2","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrazine-2-carboxyamide","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C20 H20 N12 O4 -","4","1","","Rajalakshmi, Gnanasekaran; Hathwar, Venkatesha R.; Kumaradhas, Poomani","Intermolecular interactions, charge-density distribution and the electrostatic properties of pyrazinamide anti-TB drug molecule: an experimental and theoretical charge-density study","Acta Crystallographica Section B","2014","70","3","568","579","10.1107/S205252061303388X","","","0.71073","MoKα","","0.0573","0.0381","","","0.016","0.0798","","","","","","1.9999","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105818","10.9169","0.0009","33.039","0.003","7.9038","0.0006","90","","90","","90","","2850.8","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","BMS-927711-0.5H2SO4 H1.5-1 sesquihydrate CGRP","","- C28 H32 F2 N6 O6.5 S0.5 -","- C28 H32 F2 N6 O6.5 S0.5 -","- C112 H128 F8 N24 O26 S2 -","4","1","WF5109","Chan, E. J.; Gao, Q.; Dabros, M.","Understanding the structure details when drying hydrate crystals of pharmaceuticals ‒ interpretations from diffuse scattering and inter-modulation satellites of a partially dehydrated crystal","Acta Crystallographica Section B","2014","70","3","555","567","10.1107/S2052520614005125","","","1.54178","CuKα","","0.0417","0.0376","","","0.0975","0.1","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105819","14.895","0.003","8.106","0.003","13.285","0.003","90","","90","","90","","1604","0.8","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","XK5013","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.134","0.0831","","","0.1377","0.1487","","","","","","1.242","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105820","14.895","0.003","8.122","0.003","13.288","0.003","90","","90","","90","","1607.5","0.8","187","2","187","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.2293","0.1664","","","0.2593","0.2807","","","","","","1.346","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105821","15.782","0.003","8.424","0.003","13.32","0.003","90","","90","","90","","1770.9","0.8","210","2","210","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.2284","0.1581","","","0.2352","0.2608","","","","","","1.385","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105822","15.782","0.003","8.235","0.003","13.319","0.003","90","","90","","90","","1731","0.8","240","2","240","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.1872","0.1283","","","0.1888","0.2068","","","","","","1.283","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105823","15.78","0.003","8.25","0.003","13.35","0.003","90","","90","","90","","1738","0.8","260","2","260","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.1422","0.079","","","0.1361","0.1547","","","","","","1.163","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105824","14.895","0.003","8.125","0.003","13.286","0.003","90","","90","","90","","1607.9","0.8","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.246","0.1715","","","0.3088","0.3368","","","","","","1.359","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105825","15.782","0.003","8.235","0.003","13.325","0.003","90","","90","","90","","1731.8","0.8","250","2","250","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.2171","0.1916","","","0.337","0.3464","","","","","","1.544","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105826","15.782","0.003","8.262","0.003","13.35","0.003","90","","90","","90","","1740.7","0.8","280","2","280","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.2113","0.1685","","","0.2455","0.259","","","","","","1.514","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105827","15.782","0.003","8.229","0.003","13.304","0.003","90","","90","","90","","1727.8","0.8","250","2","250","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.2183","0.155","","","0.1785","0.194","","","","","","1.448","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105828","15.78","0.003","8.2","0.003","13.24","0.003","90","","90","","90","","1713.2","0.8","220","2","220","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","XK5013","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.2312","0.167","","","0.2841","0.3067","","","","","","1.404","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105829","15.782","0.0015","8.225","0.0015","13.298","0.0015","90","","90","","90","","1726.2","0.4","260","2","260","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","XK5013","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.1448","0.1002","","","0.1493","0.1614","","","","","","1.294","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105830","15.782","0.003","8.242","0.003","13.32","0.003","90","","90","","90","","1732.6","0.8","280","2","280","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","XK5013","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.2244","0.1724","","","0.2741","0.2931","","","","","","1.418","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105831","15.782","0.0015","8.243","0.0015","13.31","0.0015","90","","90","","90","","1731.5","0.4","290","2","290","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Ag2 Fe N8 -","- C12 H8 Ag2 Fe N8 -","- C48 H32 Ag8 Fe4 N32 -","4","0.5","XK5013","Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio","Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction","Acta Crystallographica Section B","2014","70","3","436","443","10.1107/S2052520614003023","","","","neutron","","0.167","0.114","","","0.1556","0.1683","","","","","","1.298","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105832","14.66658","0.00013","12.39497","0.00009","16.63509","0.00014","90","","90","","90","","3024.12","0.04","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.7107","MoKα","","0.0391","0.0287","","","0.0687","0.0739","","","","","","1.048","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105833","14.77158","0.00016","12.42598","0.00011","16.62769","0.00016","90","","90","","90","","3052.04","0.05","200.01","0.11","200.01","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.7107","MoKα","","0.0475","0.0318","","","0.0663","0.072","","","","","","1.061","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105834","14.92869","0.00016","12.49901","0.00011","16.58142","0.00015","90","","90","","90","","3093.99","0.05","293.01","0.12","293.01","0.12","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.7107","MoKα","","0.0481","0.0334","","","0.078","0.0846","","","","","","1.068","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105835","14.6452","0.0004","12.3672","0.0004","16.6648","0.0005","90","","90","","90","","3018.33","0.16","99.9","0.2","99.9","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.0969","0.0545","","","0.0977","0.1173","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105836","14.7079","0.0005","12.3931","0.0004","16.6458","0.0005","90","","90","","90","","3034.14","0.17","160","2","160.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1198","0.0658","","","0.1331","0.1633","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105837","14.796","0.0005","12.4275","0.0004","16.6266","0.0005","90","","90","","90","","3057.25","0.17","220","2","220.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1255","0.0656","","","0.1206","0.1518","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105838","14.8837","0.0006","12.4554","0.0005","16.6018","0.0005","90","","90","","90","","3077.7","0.2","280","2","280.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1424","0.0738","","","0.1551","0.1932","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105839","14.9204","0.0006","12.4737","0.0005","16.5884","0.0006","90","","90","","90","","3087.3","0.2","300","2","300.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1369","0.0662","","","0.1313","0.1662","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105840","14.9773","0.0006","12.5017","0.0005","16.5629","0.0006","90","","90","","90","","3101.3","0.2","320","2","320.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1516","0.0733","","","0.1545","0.1997","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105841","15.0401","0.0007","12.5366","0.0005","16.532","0.0006","90","","90","","90","","3117.1","0.2","340","2","340.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1549","0.0703","","","0.1501","0.1934","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105842","6.80762","0.00014","7.91478","0.00015","8.5849","0.00017","90","","90","","90","","462.561","0.016","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0388","0.0356","","","0.0921","0.0953","","","","","","1.071","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105843","6.651","0.003","7.9179","0.0004","8.6122","0.0005","90","","90","","90","","453.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0692","0.0379","","","0.0743","0.0783","","","","","","0.916","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105844","6.192","0.003","7.8972","0.0004","8.6249","0.0005","90","","90","","90","","421.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0521","0.0309","","","0.0566","0.0587","","","","","","0.922","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105845","6","0.002","7.8498","0.0003","8.5198","0.0003","90","","90","","90","","401.27","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.057","0.038","","","0.0674","0.0708","","","","","","0.955","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105846","5.956","0.004","7.8277","0.0008","8.4702","0.0007","90","","90","","90","","394.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0724","0.0384","","","0.0625","0.0676","","","","","","0.857","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105847","5.923","0.002","7.786","0.003","8.3734","0.0004","90","","90","","90","","386.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0485","0.0308","","","0.055","0.0576","","","","","","0.912","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105848","5.918","0.002","7.7502","0.0004","8.2755","0.0004","90","","90","","90","","379.56","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0527","0.0341","","","0.0586","0.0609","","","","","","0.912","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105849","5.9522","0.0017","7.6818","0.0003","8.1087","0.0004","90","","90","","90","","370.76","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0485","0.0322","","","0.0547","0.0573","","","","","","0.91","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105850","5.9823","0.0017","7.6367","0.0003","7.9823","0.0004","90","","90","","90","","364.67","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0465","0.0309","","","0.052","0.0542","","","","","","0.905","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105851","6.0049","0.0019","7.5908","0.0004","7.888","0.0004","90","","90","","90","","359.55","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0596","0.0371","","","0.0628","0.0661","","","","","","0.944","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105852","14.5652","0.0016","6.8755","0.0006","6.1405","0.0005","90","","90","","90","","614.93","0.1","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0501","0.0371","","","0.0888","0.0942","","","","","","1.068","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105853","14.486","0.007","6.7327","0.0004","5.9227","0.0003","90","","90","","90","","577.6","0.3","293","2","293","2","800000","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0543","0.0336","","","0.0659","0.0706","","","","","","1.019","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105854","14.424","0.015","6.6545","0.0008","5.8227","0.0005","90","","90","","90","","558.9","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0483","0.0266","","","0.0577","0.0651","","","","","","1.023","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105855","14.373","0.011","6.5671","0.0006","5.7306","0.0004","90","","90","","90","","540.9","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0453","0.0274","","","0.0571","0.0633","","","","","","1.095","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105856","14.289","0.018","6.4819","0.0008","5.6407","0.0006","90","","90","","90","","522.4","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.042","0.0268","","","0.0605","0.065","","","","","","1.084","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105857","14.227","0.014","6.4177","0.0006","5.5806","0.0005","90","","90","","90","","509.5","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N,N-trimethylglycine","2-(trimethylamino)acetic acid","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","0.5","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0755","0.0456","","","0.1062","0.124","","","","","","1.186","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105858","4.106","0.001","12.899","0.003","26.001","0.005","90","","90","","90","","1377.1","0.5","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","m-dibromobenzene","1,3-dibromobenzene","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C48 H32 Br16 -","8","2","ZB5043","Dziubek, Kamil F.; Katrusiak, Andrzej","Structure‒melting relations in isomeric dibromobenzenes","Acta Crystallographica Section B","2014","70","3","492","497","10.1107/S2052520614011445","","","0.71073","MoKα","","0.0894","0.0421","","","0.0508","0.0544","","","","","","1.044","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105859","4.1264","0.0004","12.9505","0.0013","26.257","0.002","90","","90","","90","","1403.1","0.2","260","2","260","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","m-dibromobenzene","1,3-dibromobenzene","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C48 H32 Br16 -","8","2","","Dziubek, Kamil F.; Katrusiak, Andrzej","Structure‒melting relations in isomeric dibromobenzenes","Acta Crystallographica Section B","2014","70","3","492","497","10.1107/S2052520614011445","","","0.71073","MoKα","","0.1148","0.0514","","","0.094","0.1141","","","","","","0.992","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105860","4.0412","0.0012","12.806","0.005","25.996","0.011","90","","90","","90","","1345.3","0.9","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","m-dibromobenzene","1,3-dibromobenzene","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C48 H32 Br16 -","8","2","","Dziubek, Kamil F.; Katrusiak, Andrzej","Structure‒melting relations in isomeric dibromobenzenes","Acta Crystallographica Section B","2014","70","3","492","497","10.1107/S2052520614011445","","","0.71073","MoKα","","0.0518","0.0331","","","0.0612","0.065","","","","","","0.85","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105861","7.837","0.002","15.258","0.003","11.706","0.002","90","","90","","90","","1399.8","0.5","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","o-dibromobenzene","1,2-dibromobenzene","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C48 H32 Br16 -","8","1","","Dziubek, Kamil F.; Katrusiak, Andrzej","Structure‒melting relations in isomeric dibromobenzenes","Acta Crystallographica Section B","2014","70","3","492","497","10.1107/S2052520614011445","","","0.71073","MoKα","","0.099","0.0503","","","0.1329","0.1517","","","","","","1.108","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105862","7.6473","0.001","15.155","0.0015","11.5909","0.0012","90","","90","","90","","1343.3","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","o-dibromobenzene","1,2-dibromobenzene","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C48 H32 Br16 -","8","1","","Dziubek, Kamil F.; Katrusiak, Andrzej","Structure‒melting relations in isomeric dibromobenzenes","Acta Crystallographica Section B","2014","70","3","492","497","10.1107/S2052520614011445","","","0.71073","MoKα","","0.0814","0.0541","","","0.127","0.1503","","","","","","1.399","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105863","7.8346","0.0019","15.27","0.004","11.684","0.003","90","","90","","90","","1397.8","0.6","250","2","250","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","o-dibromobenzene","1,2-dibromobenzene","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C48 H32 Br16 -","8","1","","Dziubek, Kamil F.; Katrusiak, Andrzej","Structure‒melting relations in isomeric dibromobenzenes","Acta Crystallographica Section B","2014","70","3","492","497","10.1107/S2052520614011445","","","0.71073","MoKα","","0.1311","0.0548","","","0.1165","0.146","","","","","","0.992","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105864","15.5","0.003","9.794","0.002","21.689","0.005","90","","90.138","0.003","90","","3292.5","1.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","β-cyclodextrin DMF 12.5 hydrate","cycloheptaamylose dimethylformamide 12.5-hydrate","","- C45 H102 N O48.5 -","- C45 H94 N O48.5 -","- C90 H188 N2 O97 -","2","1","PS5033","Granero-García, Rubén; Fabbiani, Francesca P. A.","β-Cyclodextrin dimethylformamide 12.5 hydrate: a deeper insight into β-cyclodextrin crystal packing","Acta Crystallographica Section B","2014","70","3","586","594","10.1107/S2052520614002285","","","0.71073","MoKα","","0.0737","0.0562","","","0.123","0.1297","","","","","","1.12","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105865","5.6634","0.0008","5.6634","0.0008","13.645","0.003","90","","90","","90","","437.65","0.13","295","2","295","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Pyridine-N-oxide","Pyridine-N-oxide","","- C5 H5 N O -","- C5 H5 N O -","- C20 H20 N4 O4 -","4","0.5","ZB5041","Patyk, Ewa; Marciniak, Jedrzej; Tomkowiak, Hanna; Katrusiak, Andrzej; Merz, Klaus","Isothermal and isochoric crystallization of highly hygroscopic pyridine <i>N</i>-oxide of aqueous solution","Acta Crystallographica Section B","2014","70","3","487","491","10.1107/S2052520614011226","","","0.71073","MoKα","","0.0467","0.0438","","","0.0979","0.0997","","","","","","1.114","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105866","5.6608","0.0008","5.6608","0.0008","13.625","0.003","90","","90","","90","","436.61","0.13","295","2","295","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Pyridine-N-oxide","Pyridine-N-oxide","","- C5 H5 N O -","- C5 H5 N O -","- C20 H20 N4 O4 -","4","0.5","","Patyk, Ewa; Marciniak, Jedrzej; Tomkowiak, Hanna; Katrusiak, Andrzej; Merz, Klaus","Isothermal and isochoric crystallization of highly hygroscopic pyridine <i>N</i>-oxide of aqueous solution","Acta Crystallographica Section B","2014","70","3","487","491","10.1107/S2052520614011226","","","0.71073","MoKα","","0.053","0.0425","","","0.097","0.1016","","","","","","1.151","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105867","5.589","0.0008","5.589","0.0008","13.55","0.003","90","","90","","90","","423.26","0.13","295","2","295","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Pyridine-N-oxide","Pyridine-N-oxide","","- C5 H5 N O -","- C5 H5 N O -","- C20 H20 N4 O4 -","4","0.5","","Patyk, Ewa; Marciniak, Jedrzej; Tomkowiak, Hanna; Katrusiak, Andrzej; Merz, Klaus","Isothermal and isochoric crystallization of highly hygroscopic pyridine <i>N</i>-oxide of aqueous solution","Acta Crystallographica Section B","2014","70","3","487","491","10.1107/S2052520614011226","","","0.71073","MoKα","","0.0385","0.0283","","","0.059","0.0613","","","","","","1.127","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105868","5.5678","0.0014","5.5678","0.0014","13.514","0.004","90","","90","","90","","418.94","0.19","295","2","295","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Pyridine-N-oxide","Pyridine-N-oxide","","- C5 H5 N O -","- C5 H5 N O -","- C20 H20 N4 O4 -","4","0.5","","Patyk, Ewa; Marciniak, Jedrzej; Tomkowiak, Hanna; Katrusiak, Andrzej; Merz, Klaus","Isothermal and isochoric crystallization of highly hygroscopic pyridine <i>N</i>-oxide of aqueous solution","Acta Crystallographica Section B","2014","70","3","487","491","10.1107/S2052520614011226","","","0.71073","MoKα","","0.0511","0.0429","","","0.1004","0.1038","","","","","","1.108","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105869","5.498","0.0008","5.498","0.0008","13.334","0.003","90","","90","","90","","403.06","0.12","295","2","295","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Pyridine-N-oxide","Pyridine-N-oxide","","- C5 H5 N O -","- C5 H5 N O -","- C20 H20 N4 O4 -","4","0.5","","Patyk, Ewa; Marciniak, Jedrzej; Tomkowiak, Hanna; Katrusiak, Andrzej; Merz, Klaus","Isothermal and isochoric crystallization of highly hygroscopic pyridine <i>N</i>-oxide of aqueous solution","Acta Crystallographica Section B","2014","70","3","487","491","10.1107/S2052520614011226","","","0.71073","MoKα","","0.0641","0.061","","","0.1721","0.1755","","","","","","1.188","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105870","12.7538","0.0005","22.3294","0.0009","15.0157","0.0006","90","","103.175","0.002","90","","4163.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H88 Mg3 N4 O16 P6 -","- C84 H88 Mg3 N4 O16 P6 -","- C168 H176 Mg6 N8 O32 P12 -","2","0.5","RY5058","Rood, Jeffrey A.; Huttenstine, Ashley L.; Schmidt, Zachery A.; White, Michael R.; Oliver, Allen G.","Linear alkaline earth metal phosphinate coordination polymers: synthesis and structural characterization","Acta Crystallographica Section B","2014","70","3","602","607","10.1107/S2052520614004247","","","0.71073","MoKα","","0.0485","0.0358","","","0.0871","0.0945","","","","","","1.03","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105871","9.7975","0.0002","5.79149","0.00016","25.7052","0.0007","90","","97.272","0.003","90","","1446.84","0.06","120","2","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Ca N2 O6 P2 -","- C30 H34 Ca N2 O6 P2 -","- C60 H68 Ca2 N4 O12 P4 -","2","0.5","","Rood, Jeffrey A.; Huttenstine, Ashley L.; Schmidt, Zachery A.; White, Michael R.; Oliver, Allen G.","Linear alkaline earth metal phosphinate coordination polymers: synthesis and structural characterization","Acta Crystallographica Section B","2014","70","3","602","607","10.1107/S2052520614004247","","","0.7107","MoKα","","0.0583","0.0391","","","0.084","0.095","","","","","","1.063","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105872","9.7098","0.0017","5.8964","0.001","26.165","0.005","90","","97.635","0.002","90","","1484.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 O6 P2 Sr -","- C30 H34 N2 O6 P2 Sr -","- C60 H68 N4 O12 P4 Sr2 -","2","0.5","","Rood, Jeffrey A.; Huttenstine, Ashley L.; Schmidt, Zachery A.; White, Michael R.; Oliver, Allen G.","Linear alkaline earth metal phosphinate coordination polymers: synthesis and structural characterization","Acta Crystallographica Section B","2014","70","3","602","607","10.1107/S2052520614004247","","","0.7749","synchrotron","","0.0415","0.0303","","","0.0725","0.0785","","","","","","1.019","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105873","9.6068","0.0007","6.0118","0.0004","26.6405","0.0019","90","","98.033","0.001","90","","1523.5","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Ba N2 O6 P2 -","- C30 H34 Ba N2 O6 P2 -","- C60 H68 Ba2 N4 O12 P4 -","2","0.5","","Rood, Jeffrey A.; Huttenstine, Ashley L.; Schmidt, Zachery A.; White, Michael R.; Oliver, Allen G.","Linear alkaline earth metal phosphinate coordination polymers: synthesis and structural characterization","Acta Crystallographica Section B","2014","70","3","602","607","10.1107/S2052520614004247","","","0.71073","MoKα","","0.0235","0.0176","","","0.039","0.0414","","","","","","1.023","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105874","7.5626","0.0011","12.1894","0.0015","12.239","0.004","90","","90","","90","","1128.2","0.4","298","2","298","2","0","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.0429","0.0384","","","0.0784","0.0817","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105875","7.3362","0.0008","11.9411","0.0011","11.864","0.003","90","","90","","90","","1039.3","0.3","298","2","298","2","1260000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.0428","0.0389","","","0.0934","0.0993","","","","","","1.13","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105876","7.2357","0.0009","11.8141","0.0012","11.692","0.003","90","","90","","90","","999.5","0.3","298","2","298","2","2350000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.0404","0.036","","","0.0789","0.0842","","","","","","1.14","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105877","7.152","0.002","11.695","0.002","11.553","0.004","90","","90","","90","","966.3","0.5","298","2","298","2","3600000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.0449","0.035","","","0.0645","0.0706","","","","","","1.06","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105878","7.0777","0.0012","11.601","0.008","11.4241","0.001","90","","90","","90","","938","0.7","298","2","298","2","4250000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.03","0.0294","","","0.0679","0.0681","","","","","","1.25","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105879","7.0624","0.0012","11.5835","0.0009","11.2892","0.0012","90","","90","","90","","923.5","0.2","298","2","298","2","4600000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.0416","0.0408","","","0.1021","0.1026","","","","","","1.14","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105880","7.0324","0.0008","11.5032","0.0011","11.223","0.003","90","","90","","90","","907.9","0.3","298","2","298","2","5350000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.071","0.0689","","","0.1664","0.1685","","","","","","1.08","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105881","6.9416","0.0009","11.3535","0.0013","11.116","0.003","90","","90","","90","","876.1","0.3","298","2","298","2","7310000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.0506","0.0479","","","0.1113","0.1143","","","","","","1.07","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105882","6.9234","0.0009","11.3268","0.0011","11.089","0.002","90","","90","","90","","869.6","0.2","298","2","298","2","7680000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.0432","0.0404","","","0.0968","0.0993","","","","","","1.12","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105883","7.5641","0.0014","12.24","0.002","12.266","0.002","90","","90","","90","","1135.6","0.3","296","2","296","2","0","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.71073","MoKα","","0.038","0.0363","","","0.0622","0.0628","","","","","","1.22","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105884","7.548","0.0013","12.196","0.003","12.234","0.004","90","","90","","90","","1126.2","0.5","296","2","296","2","300000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0354","0.0295","","","0.0833","0.0955","","","","","","0.695","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105885","7.2928","0.0004","11.7947","0.0005","11.945","0.004","90","","90","","90","","1027.5","0.4","296","2","296","2","1630000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6911","synchrotron","","0.0426","0.0385","","","0.0933","0.0996","","","","","","1.06","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105886","7.3491","0.0019","11.895","0.002","11.95","0.02","90","","90","","90","","1044.6","1.8","296","2","296","2","1640000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0393","0.0375","","","0.0932","0.0978","","","","","","0.67","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105887","7.241","0.003","11.781","0.004","11.964","0.019","90","","90","","90","","1020.6","1.7","296","2","296","2","2180000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.055","0.0481","","","0.116","0.129","","","","","","0.75","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105888","7.1844","0.0005","11.6182","0.0009","11.803","0.003","90","","90","","90","","985.2","0.3","296","2","296","2","2880000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8004","synchrotron","","0.0544","0.0527","","","0.141","0.148","","","","","","1.21","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105889","7.1597","0.0004","11.5646","0.0006","11.733","0.003","90","","90","","90","","971.5","0.3","296","2","296","2","3270000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6911","synchrotron","","0.0361","0.0337","","","0.0706","0.0718","","","","","","1.09","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105890","7.1263","0.0005","11.5122","0.001","11.709","0.004","90","","90","","90","","960.6","0.3","296","2","296","2","3780000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8004","synchrotron","","0.0511","0.0455","","","0.115","0.137","","","","","","1.16","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105891","7.0875","0.0003","11.4434","0.0003","11.663","0.002","90","","90","","90","","945.93","0.17","296","2","296","2","4190000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8004","synchrotron","","0.0331","0.0303","","","0.0677","0.0695","","","","","","1.05","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105892","7.08","0.002","11.365","0.004","11.748","0.016","90","","90","","90","","945.3","1.4","296","2","296","2","4710000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0812","0.0777","","","0.178","0.186","","","","","","1.07","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105893","7.031","0.0003","11.3493","0.0003","11.577","0.004","90","","90","","90","","923.8","0.3","296","2","296","2","5400000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6911","synchrotron","","0.0389","0.0356","","","0.0943","0.101","","","","","","1.15","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105894","7.5656","0.0017","12.267","0.002","12.56","0.03","90","","90","","90","","1166","3","296","2","296","2","0","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0306","0.0264","","","0.05","0.0538","","","","","","1.02","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105895","7.5457","0.0017","12.233","0.002","12.56","0.04","90","","90","","90","","1159","4","296","2","296","2","460000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0297","0.0254","","","0.0469","0.0504","","","","","","0.99","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105896","7.2611","0.0016","11.71","0.002","12.2","0.04","90","","90","","90","","1037","3","296","2","296","2","2500000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.024","0.0215","","","0.0402","0.0416","","","","","","0.93","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105897","7.3007","0.001","11.731","0.0011","12.18","0.03","90","","90","","90","","1043","3","296","2","296","2","3040000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0488","0.0452","","","0.106","0.111","","","","","","1.1","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105898","7.1615","0.0018","11.534","0.002","12.06","0.05","90","","90","","90","","996","4","296","2","296","2","4010000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0471","0.0447","","","0.106","0.109","","","","","","1.06","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105899","7.1007","0.0018","11.424","0.002","11.94","0.05","90","","90","","90","","969","4","296","2","296","2","5000000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0542","0.0512","","","0.124","0.128","","","","","","1.07","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105900","7.0751","0.0019","11.356","0.002","11.8","0.05","90","","90","","90","","948","4","296","2","296","2","6470000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0556","0.0507","","","0.122","0.13","","","","","","1.09","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105901","6.9209","0.0019","11.113","0.002","12.12","0.07","90","","90","","90","","932","5","296","2","296","2","7130000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0826","0.0809","","","0.205","0.207","","","","","","1.2","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105902","6.9201","0.0018","11.115","0.002","11.85","0.06","90","","90","","90","","911","5","296","2","296","2","8190000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0588","0.0559","","","0.133","0.138","","","","","","1.08","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105903","6.85","0.002","10.995","0.002","11.86","0.07","90","","90","","90","","893","5","296","2","296","2","9650000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0491","0.0458","","","0.114","0.117","","","","","","1.1","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105904","6.8849","0.0018","11.05","0.002","11.62","0.05","90","","90","","90","","884","4","296","2","296","2","10260000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0332","0.0322","","","0.0728","0.0737","","","","","","1.08","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105905","6.858","0.002","11.011","0.003","11.61","0.07","90","","90","","90","","877","5","296","2","296","2","11690000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0769","0.071","","","0.177","0.185","","","","","","1.06","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105906","7.494","0.0012","12.143","0.002","12.93","0.04","90","","90","","90","","1177","4","296","2","296","2","0","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.025","0.0207","","","0.0318","0.0333","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105907","7.4515","0.0012","12.068","0.002","12.92","0.04","90","","90","","90","","1162","4","296","2","296","2","270000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0281","0.0235","","","0.0378","0.0392","","","","","","1.06","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105908","7.1895","0.0013","11.589","0.002","12.6","0.05","90","","90","","90","","1050","4","296","2","296","2","1700000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0259","0.0243","","","0.0473","0.0486","","","","","","1.11","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105909","7.128","0.0014","11.468","0.003","12.43","0.04","90","","90","","90","","1016","3","296","2","296","2","3270000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0403","0.0272","","","0.045","0.0474","","","","","","0.74","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105910","7.0791","0.0013","11.395","0.002","12.2","0.04","90","","90","","90","","984","3","296","2","296","2","4250000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0225","0.0214","","","0.0408","0.0413","","","","","","1.05","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105911","7.0551","0.0015","11.344","0.003","12.2","0.05","90","","90","","90","","976","4","296","2","296","2","4820000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0318","0.0265","","","0.0444","0.046","","","","","","0.75","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105912","6.9789","0.0013","11.211","0.003","12.04","0.04","90","","90","","90","","942","3","296","2","296","2","6250000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0261","0.0249","","","0.0446","0.0449","","","","","","1.15","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105913","6.92","0.0014","11.109","0.003","11.92","0.04","90","","90","","90","","916","3","296","2","296","2","7490000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0334","0.0315","","","0.0617","0.0635","","","","","","1.07","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105914","6.8955","0.0014","11.072","0.003","11.9","0.04","90","","90","","90","","909","3","296","2","296","2","8260000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0329","0.0306","","","0.0564","0.0575","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105915","6.873","0.0014","11.029","0.003","11.85","0.04","90","","90","","90","","898","3","296","2","296","2","8880000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0316","0.0302","","","0.0553","0.0558","","","","","","1.09","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105916","6.8725","0.0013","11.002","0.002","11.86","0.04","90","","90","","90","","897","3","296","2","296","2","9710000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0288","0.0276","","","0.0615","0.0629","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105917","7.6317","0.0004","12.6036","0.0007","13.0266","0.0007","90","","90","","90","","1252.99","0.12","296","2","296","2","101.3","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.71073","MoKα","","0.072","0.0509","","","0.0883","0.0979","","","","","","1.02","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105918","7.429","0.002","12.201","0.008","12.888","0.008","90","","90","","90","","1168.2","1.1","296","2","296","2","790000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.133","0.072","","","0.103","0.132","","","","","","1.01","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105919","7.345","0.002","12.087","0.011","12.758","0.008","90","","90","","90","","1132.6","1.3","296","2","296","2","1900000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.11","0.0679","","","0.12","0.148","","","","","","1.13","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105920","7.2598","0.0014","11.824","0.006","12.514","0.006","90","","90","","90","","1074.2","0.8","296","2","296","2","3000000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.113","0.059","","","0.0812","0.0921","","","","","","0.86","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105921","7.194","0.0017","11.747","0.005","12.504","0.006","90","","90","","90","","1056.7","0.7","296","2","296","2","3600000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0696","0.0515","","","0.101","0.11","","","","","","1.1","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105922","7.164","0.003","11.705","0.01","12.501","0.014","90","","90","","90","","1048.3","1.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0981","0.0778","","","0.181","0.214","","","","","","1.06","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105923","7.069","0.0015","11.486","0.006","12.321","0.006","90","","90","","90","","1000.4","0.7","296","2","296","2","5770000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0892","0.0652","","","0.136","0.151","","","","","","1.17","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105924","7.0662","0.0016","11.515","0.005","12.301","0.006","90","","90","","90","","1000.9","0.7","296","2","296","2","6040000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0896","0.0672","","","0.133","0.154","","","","","","1.05","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105925","7.0427","0.0012","11.532","0.004","12.22","0.006","90","","90","","90","","992.5","0.6","296","2","296","2","6600000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0779","0.0617","","","0.124","0.137","","","","","","1.13","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105926","6.9924","0.0017","11.391","0.005","12.208","0.007","90","","90","","90","","972.4","0.7","296","2","296","2","7940000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0779","0.0584","","","0.119","0.132","","","","","","1.17","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105927","6.962","0.003","11.299","0.008","12.16","0.011","90","","90","","90","","956.5","1.2","296","2","296","2","9400000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.117","0.0752","","","0.136","0.174","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105928","7.673","0.0004","12.4007","0.0009","12.975","0.013","90","","90","","90","","1234.6","1.2","296","2","296","2","101.3","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pt S3 -","- C6 H12 I2 Pt S3 -","- C24 H48 I8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0948","0.0688","","","0.1612","0.1831","","","","","","1.076","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105929","7.326","0.002","11.87","0.004","12.82","0.02","90","","90","","90","","1114.8","1.8","296","2","296","2","600000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pt S3 -","- C6 H12 I2 Pt S3 -","- C24 H48 I8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0886","0.0656","","","0.15","0.161","","","","","","1.028","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105930","7.3036","0.0006","11.7841","0.0013","12.567","0.014","90","","90","","90","","1081.6","1.2","296","2","296","2","2380000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pt S3 -","- C6 H12 I2 Pt S3 -","- C24 H48 I8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0939","0.0814","","","0.185","0.208","","","","","","1.119","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105931","7.1189","0.0006","11.4718","0.0012","12.271","0.016","90","","90","","90","","1002.1","1.3","296","2","296","2","4880000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pt S3 -","- C6 H12 I2 Pt S3 -","- C24 H48 I8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0517","0.0306","","","0.0676","0.0856","","","","","","0.23","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105932","7.1052","0.0006","11.4442","0.0015","12.207","0.019","90","","90","","90","","992.6","1.6","296","2","296","2","5580000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pt S3 -","- C6 H12 I2 Pt S3 -","- C24 H48 I8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0747","0.0667","","","0.157","0.171","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105933","7.0675","0.0007","11.3851","0.0014","12.215","0.017","90","","90","","90","","982.9","1.4","296","2","296","2","6130000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pt S3 -","- C6 H12 I2 Pt S3 -","- C24 H48 I8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0691","0.0614","","","0.128","0.136","","","","","","1.03","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105934","7.0296","0.0009","11.3196","0.0017","12.2","0.02","90","","90","","90","","970.8","1.6","296","2","295","2","6970000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pt S3 -","- C6 H12 I2 Pt S3 -","- C24 H48 I8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.099","0.0567","","","0.114","0.141","","","","","","0.4","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105935","7.1941","0.0006","11.5906","0.0014","12.362","0.016","90","","90","","90","","1030.8","1.3","296","2","296","2","3800000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pt S3 -","- C6 H12 I2 Pt S3 -","- C24 H48 I8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0892","0.0725","","","0.173","0.2","","","","","","1.11","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105945","9.8304","0.0008","13.7388","0.0011","14.8816","0.0012","63.4935","0.0011","84.0016","0.0013","81.8575","0.0012","1778.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1","","","- C30 H33 Cd2 Cl4 N3 O6 -","- C30 H33 Cd2 Cl4 N3 O6 -","- C60 H66 Cd4 Cl8 N6 O12 -","2","1","BM5063","Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli","3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials","Acta Crystallographica Section B","2014","70","4","705","713","10.1107/S2052520614006210","","","0.71073","MoKα","","0.0521","0.037","","","0.0719","0.0786","","","","","","1.03","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105946","7.1262","0.0009","15.519","0.002","16.597","0.002","91.247","0.003","97.889","0.003","98.609","0.003","1796","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","2","","","- C30 H33 Br4 Cd2 N3 O6 -","- C30 H33 Br4 Cd2 N3 O6 -","- C60 H66 Br8 Cd4 N6 O12 -","2","1","BM5063","Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli","3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials","Acta Crystallographica Section B","2014","70","4","705","713","10.1107/S2052520614006210","","","0.71073","MoKα","","0.0782","0.0561","","","0.0942","0.1034","","","","","","1.142","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105947","7.1002","0.0009","14.349","0.0018","27.54","0.004","90","","90","","90","","2805.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3a","","","- C10 H11 Cd I2 N O2 -","- C10 H11 Cd I2 N O2 -","- C80 H88 Cd8 I16 N8 O16 -","8","1","BM5063","Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli","3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials","Acta Crystallographica Section B","2014","70","4","705","713","10.1107/S2052520614006210","","","0.71073","MoKα","","0.031","0.0244","","","0.0492","0.0513","","","","","","1.11","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105948","13.5307","0.0003","7.0913","0.0007","49.11","0.002","90","","90","","90","","4712.1","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","3b","","","- C20 H22 Cd I2 N2 O4 -","- C20 H22 Cd I2 N2 O4 -","- C160 H176 Cd8 I16 N16 O32 -","8","2","BM5063","Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli","3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials","Acta Crystallographica Section B","2014","70","4","705","713","10.1107/S2052520614006210","","","0.71073","MoKα","","0.0491","0.0377","","","0.0708","0.0756","","","","","","1.094","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105949","12.1351","0.0013","13.2343","0.0014","13.8728","0.0015","91.809","0.002","109.675","0.002","104.825","0.002","2011","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","4","","","- C66 H96 Cd Cl2 Fe2 N6 O24 -","- C66 H96 Cd Cl2 Fe2 N6 O24 -","- C66 H96 Cd Cl2 Fe2 N6 O24 -","1","0.5","BM5063","Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli","3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials","Acta Crystallographica Section B","2014","70","4","705","713","10.1107/S2052520614006210","","","0.71073","MoKα","","0.0655","0.0493","","","0.1208","0.1303","","","","","","1.041","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105950","12.2603","0.0015","13.356","0.0016","13.9326","0.0016","92.055","0.002","109.196","0.002","105.345","0.002","2058.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","5","","","- C65.23 H92.91 Br2 Cd Fe2 N6 O23.23 -","- C65.228 H92.912 Br2 Cd Fe2 N6 O23.228 -","- C65.228 H92.912 Br2 Cd Fe2 N6 O23.228 -","1","0.5","BM5063","Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli","3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials","Acta Crystallographica Section B","2014","70","4","705","713","10.1107/S2052520614006210","","","0.71073","MoKα","","0.072","0.0537","","","0.1457","0.1567","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105951","32.186","0.003","13.7863","0.0015","27.721","0.002","90","","125.118","0.008","90","","10061.4","1.9","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","6_squeeze","","","- C64.09 H68.18 Cd3 Cl8.18 Fe2 I6 N6 O12 -","- C64.0876 H68.1752 Cd3 Cl8.1752 Fe2 I6 N6 O12 -","- C256.35 H272.701 Cd12 Cl32.7008 Fe8 I24 N24 O48 -","4","0.5","BM5063","Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli","3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials","Acta Crystallographica Section B","2014","70","4","705","713","10.1107/S2052520614006210","","","0.71073","MoKα","","0.1018","0.0664","","","0.1512","0.1626","","","","","","0.954","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105952","32.186","0.003","13.7863","0.0015","27.721","0.002","90","","125.118","0.008","90","","10061.4","1.9","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","6_without_squeeze","","","- C64.09 H68.18 Cd3 Cl8.18 Fe2 I6 N6 O12 -","- C64.0876 H68.1752 Cd3 Cl8.1752 Fe2 I6 N6 O12 -","- C256.35 H272.701 Cd12 Cl32.7008 Fe8 I24 N24 O48 -","4","0.5","BM5063","Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli","3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials","Acta Crystallographica Section B","2014","70","4","705","713","10.1107/S2052520614006210","","","0.71073","MoKα","","0.1099","0.0727","","","0.1953","0.2097","","","","","","0.996","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105953","150","","150","","4.181","","90","","90","","90","","94072.5","","298","2","298","2","","","","","","","","3","P 1","P 1","1","","","","- Al67.4 Ni14.7 Rh17.8 -","- Al4083.88 Ni884.141 Rh1082.99 -","- Al4083.88 Ni884.141 Rh1082.99 -","1","1","","Logvinovich, Dmitry; Simonov, Arkadiy; Steurer, Walter","Structure of decagonal Al‒Ni‒Rh","Acta Crystallographica Section B","2014","70","4","732","742","10.1107/S2052520614010750","","","0.698","synchrotron","","0.1064","0.071","","","0.042","0.0477","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105954","25.082","0.007","7.2222","0.0013","14.148","0.005","90","","106.08","0.03","90","","2462.6","1.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sodium selenate heptahemihydrate","","- H15 Na2 O11.5 Se -","- H15 Na2 O11.5 Se -","- H120 Na16 O92 Se8 -","8","1","BP5062","Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo","Similarities and peculiarities between the crystal structures of the hydrates of sodium sulfate and selenate","Acta Crystallographica Section B","2014","70","4","714","722","10.1107/S2052520614007653","","","0.71073","MoKα","","0.0363","0.0263","","","0.0711","0.0785","","","","","","1.002","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105955","11.6498","0.0013","10.5446","0.0009","13.0181","0.0015","90","","107.929","0.009","90","","1521.5","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium selenate decahydrate","","- H20 Na2 O14 Se -","- H20 Na2 O14 Se -","- H80 Na8 O56 Se4 -","4","1","","Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo","Similarities and peculiarities between the crystal structures of the hydrates of sodium sulfate and selenate","Acta Crystallographica Section B","2014","70","4","714","722","10.1107/S2052520614007653","","","0.71073","MoKα","","0.0275","0.0238","","","0.0603","0.0614","","","","","","1.06","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105956","14.3249","0.0015","14.3249","0.0015","22.202","0.004","90","","90","","90","","4555.9","1.1","120","2","120","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Sodium sulfate heptahydrate","","- H14 Na2 O11 S -","- H14 Na2 O11 S -","- H224 Na32 O176 S16 -","16","2","","Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo","Similarities and peculiarities between the crystal structures of the hydrates of sodium sulfate and selenate","Acta Crystallographica Section B","2014","70","4","714","722","10.1107/S2052520614007653","","","0.71073","MoKα","","0.0499","0.028","","","0.1023","0.1096","","","","","","1.064","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105957","11.47","0.002","10.3515","0.0012","12.759","0.002","90","","107.815","0.015","90","","1442.3","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium sulfate decahydrate","","- H20 Na2 O14 S -","- H20 Na2 O14 S -","- H80 Na8 O56 S4 -","4","1","","Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo","Similarities and peculiarities between the crystal structures of the hydrates of sodium sulfate and selenate","Acta Crystallographica Section B","2014","70","4","714","722","10.1107/S2052520614007653","","","0.71073","MoKα","","0.0323","0.0282","","","0.0739","0.0755","","","","","","1.05","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105958","11.467","0.002","10.3455","0.0012","12.795","0.002","90","","107.805","0.015","90","","1445.2","0.4","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium sulfate-water (1/10)","","- H20 Na2 O14 S -","- H20 Na2 O14 S -","- H80 Na8 O56 S4 -","4","1","","Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo","Similarities and peculiarities between the crystal structures of the hydrates of sodium sulfate and selenate","Acta Crystallographica Section B","2014","70","4","714","722","10.1107/S2052520614007653","","","0.71073","MoKα","","0.0357","0.0244","","","0.0575","0.0606","","","","","","1.027","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105959","7.021","0.002","8.25","0.003","10.145","0.002","102.23","0.02","100.34","0.02","115.09","0.03","495.4","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- Ca K Na O11 Si4 -","- Ca K Na O11 Si4 -","- Ca2 K2 Na2 O22 Si8 -","2","1","BP5069","Aksenov, Sergey M.; Rastsvetaeva, Ramiza K.; Chukanov, Nikita V.; Kolitsch, Uwe","Structure of calcinaksite KNa[Ca(H~2~O)][Si~4~O~l0~], the first hydrous member of the litidionite group of silicates with [Si~8~O~20~]^8{-^} tubes","Acta Crystallographica Section B","2014","70","4","768","775","10.1107/S2052520614012992","","","0.7107","MoKα","","0.0527","0.0527","","","0.0752","0.0752","","","","","","1.06","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105960","6.9661","0.0016","9.843","0.003","11.215","0.003","103.93","0.03","105.94","0.03","106.35","0.03","666","0.4","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","sodium bis(4-nitrophenyl)phosphate","","- C12 H8 N2 Na O8 P -","- C12 H8 N2 Na O8 P -","- C24 H16 N4 Na2 O16 P2 -","2","1","PI5018","Starynowicz, Przemysław; Lis, Tadeusz","Charge-density distribution in sodium bis(4-nitrophenyl)phosphate","Acta Crystallographica Section B","2014","70","4","723","731","10.1107/S2052520614010439","","","0.7107","MoKα","","0.019","0.013","","","","0.013","","","","","","1.459","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105961","6.6267","0.0004","8.354","0.0005","8.6889","0.0005","83.876","0.005","72.881","0.005","70.676","0.005","433.78","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,4-bis(4-cyanobenzyl)piperazine","","- C20 H20 N4 -","- C20 H20 N4 -","- C20 H20 N4 -","1","0.5","BM5065","Rezler, Mateusz; Żołek, Teresa; Wolska, Irena; Maciejewska, Dorota","Structural aspects of intermolecular interactions in the solid state of 1,4-dibenzylpiperazines bearing nitrile or amidine groups","Acta Crystallographica Section B","2014","70","5","820","827","10.1107/S2052520614013754","","","0.71073","MoKα","","0.044","0.0387","","","0.1118","0.1175","","","","","","1.053","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105962","6.1121","0.0002","12.8231","0.0003","18.3831","0.0004","90","","99.274","0.002","90","","1421.96","0.07","130","1","130","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4-bis(4-amidinobenzyl)piperazine tetrahydrochloride","","- C20 H38 Cl4 N6 O4 -","- C20 H38 Cl4 N6 O4 -","- C40 H76 Cl8 N12 O8 -","2","0.5","BM5065","Rezler, Mateusz; Żołek, Teresa; Wolska, Irena; Maciejewska, Dorota","Structural aspects of intermolecular interactions in the solid state of 1,4-dibenzylpiperazines bearing nitrile or amidine groups","Acta Crystallographica Section B","2014","70","5","820","827","10.1107/S2052520614013754","","","1.54184","CuKα","","0.028","0.0274","","","0.0727","0.0733","","","","","","1.037","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105965","13.1923","0.0008","18.0299","0.001","14.1801","0.0009","90","","99.357","0.002","90","","3327.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Catena-{Co(amp)3Cr(ox)3.6H2O}","Catena-{Co(amp)3Cr(ox)3.6H2O}","","- C24 H36 Co Cr N6 O18 -","- C24 H36 Co Cr N6 O18 -","- C96 H144 Co4 Cr4 N24 O72 -","4","1","RY5062","Kenfack Tsobnang, Patrice; Wenger, Emmanuel; Biache, Coralie; Lambi Ngolui, John; Ponou, Siméon; Dahaoui, Slimane; Lecomte, Claude","Two-dimensionally stacked heterometallic layers hosting a discrete chair dodecameric ring of water clusters: synthesis and structural study","Acta Crystallographica Section B","2014","70","5","900","902","10.1107/S2052520614019921","","","0.71073","MoKα","","0.0693","0.0414","","","0.0856","0.0935","","","","","","1.05","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105966","18.843","0.003","16.642","0.003","12.307","0.002","90","","90","","90","","3859.3","1.1","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H36 N20 O18 Rh2 -","- C24 H36 N20 O18 Rh2 -","- C96 H144 N80 O72 Rh8 -","4","0.5","","Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro","Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions","Acta Crystallographica Section B","2014","70","6","1006","1019","10.1107/S2052520614021428","","","0.71069","MoKα","","0.0494","0.0439","","","0.0781","0.08","","","","","","1.316","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105967","13.453","0.002","13.334","0.002","24.906","0.004","90","","91.749","0.002","90","","4465.6","1.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Cl4 N16 O23 Rh2 -","- C24 H24 Cl4 N16 O23 Rh2 -","- C96 H96 Cl16 N64 O92 Rh8 -","4","1","","Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro","Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions","Acta Crystallographica Section B","2014","70","6","1006","1019","10.1107/S2052520614021428","","","0.71069","MoKα","","0.072","0.058","","","0.1509","0.1627","","","","","","1.084","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105968","20.119","0.005","16.115","0.004","13.055","0.003","90","","90","","90","","4232.7","1.8","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H32 Cl4 N16 O18 Rh2 -","- C26 H32 Cl4 N16 O18 Rh2 -","- C104 H128 Cl16 N64 O72 Rh8 -","4","0.5","","Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro","Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions","Acta Crystallographica Section B","2014","70","6","1006","1019","10.1107/S2052520614021428","","","0.71069","MoKα","","0.0621","0.0504","","","0.1182","0.1255","","","","","","1.162","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105969","16.073","0.01","19.104","0.011","16.399","0.01","90","","111.673","0.006","90","","4679","5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 B4 F16 N18 O2 Rh2 -","- C30 H38 B4 F16 N18 O2 Rh2 -","- C120 H152 B16 F64 N72 O8 Rh8 -","4","0.5","","Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro","Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions","Acta Crystallographica Section B","2014","70","6","1006","1019","10.1107/S2052520614021428","","","0.71069","MoKα","","0.0921","0.0658","","","0.1833","0.2127","","","","","","1.053","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105970","17.63","0.0005","17.63","0.0005","16.8037","0.0006","90","","90","","90","","5222.9","0.3","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C36 H54 F12 N18 O8 Rh2 Si2 -","- C36 H38 F12 N18 O8 Rh2 Si2 -","- C144 H152 F48 N72 O32 Rh8 Si8 -","4","0.25","","Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro","Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions","Acta Crystallographica Section B","2014","70","6","1006","1019","10.1107/S2052520614021428","","","0.71069","MoKα","","0.0275","0.0269","","","0.0725","0.0731","","","","","","1.124","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105971","20.17","0.002","21.875","0.003","22.541","0.003","90","","90","","90","","9946","2","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H85.4 Cl6 F6 N38 O36.7 Rh4 Si -","- C60 H60 Cl6 F6 N38 O36.7 Rh4 Si -","- C240 H240 Cl24 F24 N152 O146.8 Rh16 Si4 -","4","0.5","","Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro","Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions","Acta Crystallographica Section B","2014","70","6","1006","1019","10.1107/S2052520614021428","","","0.71069","MoKα","","0.0728","0.0594","","","0.1555","0.18","","","","","","1.168","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105972","20.289","0.004","21.524","0.005","22.45","0.005","90","","90","","90","","9804","4","296.15","","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H82.82 Cl8 N38 O43.41 Rh4 -","- C60 H60 Cl8 N38 O43.4 Rh4 -","- C240 H240 Cl32 N152 O173.6 Rh16 -","4","0.5","","Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro","Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions","Acta Crystallographica Section B","2014","70","6","1006","1019","10.1107/S2052520614021428","","","0.71069","MoKα","","0.119","0.0915","","","0.2113","0.2309","","","","","","1.148","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105973","27.057","0.005","9.9832","0.0015","18.718","0.003","90","","122.256","0.0019","90","","4275.7","1.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 F12 N18 O6 Rh2 Si2 -","- C28 H28 F12 N18 O6 Rh2 Si2 -","- C112 H112 F48 N72 O24 Rh8 Si8 -","4","0.5","","Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro","Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions","Acta Crystallographica Section B","2014","70","6","1006","1019","10.1107/S2052520614021428","","","0.71069","MoKα","","0.0522","0.0484","","","0.1327","0.1364","","","","","","1.09","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105974","8.1895","0.0007","9.8902","0.0009","10.6709","0.0009","113.376","0.001","104.25","0.001","103.472","0.001","713.87","0.11","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H7 N O5 -","- C6 H7 N O5 -","- C24 H28 N4 O20 -","4","2","EB5032","Francis, Raju; Raghavaiah, Pallepogu; Pius, Kuruvilla","Unusual crystal structure of <i>N</i>-substituted maleamic acid ‒ very strong effect of intramolecular hydrogen bonds","Acta Crystallographica Section B","2014","70","6","942","947","10.1107/S2052520614018952","","","0.71073","MoKα","","0.039","0.0358","","","0.0993","0.1033","","","","","","1.046","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2105975","10.4325","0.0008","6.7755","0.0012","18.6056","0.0014","90","","90","","90","","1315.1","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C40 H48 N16 O32 -","8","1","","Francis, Raju; Raghavaiah, Pallepogu; Pius, Kuruvilla","Unusual crystal structure of <i>N</i>-substituted maleamic acid ‒ very strong effect of intramolecular hydrogen bonds","Acta Crystallographica Section B","2014","70","6","942","947","10.1107/S2052520614018952","","","0.71073","MoKα","","0.0503","0.0412","","","0.1285","0.1396","","","","","","0.968","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105976","4.8971","0.0009","15.812","0.003","11.773","0.002","90","","93.746","0.003","90","","909.7","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H23 Br2 Ca N3 O7 -","- C9 H23 Br2 Ca N3 O7 -","- C18 H46 Br4 Ca2 N6 O14 -","2","1","GP5078","Lamberts, Kevin; Möller, Andreas; Englert, Ulli","Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers","Acta Crystallographica Section B","2014","70","6","989","998","10.1107/S2052520614021398","","","0.71073","MoKα","","0.047","0.0423","","","0.0956","0.099","","","","","","1.02","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105977","4.9164","0.0008","16.416","0.003","12.039","0.002","90","","92.435","0.003","90","","970.8","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H23 Ca I2 N3 O7 -","- C9 H23 Ca I2 N3 O7 -","- C18 H46 Ca2 I4 N6 O14 -","2","1","GP5078","Lamberts, Kevin; Möller, Andreas; Englert, Ulli","Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers","Acta Crystallographica Section B","2014","70","6","989","998","10.1107/S2052520614021398","","","0.71073","MoKα","","0.0427","0.0364","","","0.0614","0.0647","","","","","","1.026","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105978","4.7809","0.0004","15.7146","0.0013","11.6246","0.001","90","","93.581","0.001","90","","871.65","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H23 Br2 Mn N3 O7 -","- C9 H23 Br2 Mn N3 O7 -","- C18 H46 Br4 Mn2 N6 O14 -","2","1","GP5078","Lamberts, Kevin; Möller, Andreas; Englert, Ulli","Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers","Acta Crystallographica Section B","2014","70","6","989","998","10.1107/S2052520614021398","","","0.71073","MoKα","","0.0343","0.0304","","","0.0577","0.0591","","","","","","1.003","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105979","4.7932","0.0016","16.261","0.005","11.894","0.004","90","","92.255","0.006","90","","926.3","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H23 I2 Mn N3 O7 -","- C9 H23 I2 Mn N3 O7 -","- C18 H46 I4 Mn2 N6 O14 -","2","1","GP5078","Lamberts, Kevin; Möller, Andreas; Englert, Ulli","Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers","Acta Crystallographica Section B","2014","70","6","989","998","10.1107/S2052520614021398","","","0.71073","MoKα","","0.0537","0.0453","","","0.094","0.0987","","","","","","1.009","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105980","23.347","0.007","8.702","0.003","7.391","0.002","90","","90","","90","","1501.6","0.8","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H20 Ca Cl2 N2 O7 -","- C6 H20 Ca Cl2 N2 O7 -","- C24 H80 Ca4 Cl8 N8 O28 -","4","0.5","GP5078","Lamberts, Kevin; Möller, Andreas; Englert, Ulli","Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers","Acta Crystallographica Section B","2014","70","6","989","998","10.1107/S2052520614021398","","","0.71073","MoKα","","0.0602","0.0366","","","0.0734","0.0826","","","","","","1.055","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105981","4.8727","0.0005","16.0701","0.0017","23.129","0.002","90","","90","","90","","1811.1","0.3","100","2","100","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C9 H23 Br2 Ca N3 O7 -","- C9 H23 Br2 Ca N3 O7 -","- C36 H92 Br8 Ca4 N12 O28 -","4","1","GP5078","Lamberts, Kevin; Möller, Andreas; Englert, Ulli","Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers","Acta Crystallographica Section B","2014","70","6","989","998","10.1107/S2052520614021398","","","0.71073","MoKα","","0.0326","0.0282","","","0.0601","0.0622","","","","","","1.027","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105982","22.842","0.004","8.3609","0.0013","18.807","0.003","90","","97.734","0.003","90","","3559.1","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H45 Ca2 I4 N5 O15 -","- C15 H45 Ca2 I4 N5 O15 -","- C60 H180 Ca8 I16 N20 O60 -","4","1","GP5078","Lamberts, Kevin; Möller, Andreas; Englert, Ulli","Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers","Acta Crystallographica Section B","2014","70","6","989","998","10.1107/S2052520614021398","","","0.71073","MoKα","","0.069","0.0455","","","0.0896","0.1009","","","","","","1.051","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105983","4.7294","0.0009","19.101","0.004","9.0705","0.0017","90","","103.395","0.003","90","","797.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 Cl2 Mn N2 O8 -","- C6 H22 Cl2 Mn N2 O8 -","- C12 H44 Cl4 Mn2 N4 O16 -","2","0.5","GP5078","Lamberts, Kevin; Möller, Andreas; Englert, Ulli","Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers","Acta Crystallographica Section B","2014","70","6","989","998","10.1107/S2052520614021398","","","0.71073","MoKα","","0.0368","0.0298","","","0.0699","0.0735","","","","","","1.085","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105984","4.7592","0.0006","19.571","0.002","9.1998","0.0011","90","","102.45","0.002","90","","836.74","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 Br2 Mn N2 O8 -","- C6 H22 Br2 Mn N2 O8 -","- C12 H44 Br4 Mn2 N4 O16 -","2","0.5","GP5078","Lamberts, Kevin; Möller, Andreas; Englert, Ulli","Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers","Acta Crystallographica Section B","2014","70","6","989","998","10.1107/S2052520614021398","","","0.71073","MoKα","","0.035","0.0288","","","0.0596","0.0615","","","","","","1.043","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105985","4.794","0.003","20.114","0.011","9.482","0.005","90","","100.047","0.01","90","","900.3","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 I2 Mn N2 O8 -","- C6 H22 I2 Mn N2 O8 -","- C12 H44 I4 Mn2 N4 O16 -","2","0.5","GP5078","Lamberts, Kevin; Möller, Andreas; Englert, Ulli","Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers","Acta Crystallographica Section B","2014","70","6","989","998","10.1107/S2052520614021398","","","0.71073","MoKα","","0.1049","0.0626","","","0.1238","0.1429","","","","","","1.027","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105986","9.3618","0.0002","9.6497","0.0002","12.9909","0.0002","90","","105.428","0.002","90","","1131.29","0.04","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10.98 H7 Br0.02 Cl N3.98 O2 -","- C10.98 H7 Br0.02 Cl N3.98 O2 -","- C43.92 H28 Br0.08 Cl4 N15.92 O8 -","4","1","GW5032","Poulain, Agnieszka; Kubicki, Maciej; Lecomte, Claude","Isomorphism and solid solution as shown by an accurate high-resolution diffraction experiment","Acta Crystallographica Section B","2014","70","6","973","982","10.1107/S2052520614021325","","","0.7107","MoKα","","0.021","0.0209","","","0.0217","0.0217","","","","","","1.122","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105987","23.4","0.05","16.2","0.04","20","0.05","90","","90","","90","","7582","3","293","2","293","2","","","","","","","","2","P b m a","-P 2a 2ab","57","","","","- Al46 Ru14 -","- Al46 Ru14 -","- Al368 Ru112 -","8","1","WF5113","Samuha, Shmuel; Mugnaioli, Enrico; Grushko, Benjamin; Kolb, Ute; Meshi, Louisa","Atomic structure solution of the complex quasicrystal approximant Al~77~Rh~15~Ru~8~ from electron diffraction data","Acta Crystallographica Section B","2014","70","6","999","1005","10.1107/S2052520614022033","","","0.0197","","","0.327","0.3215","","","0.6269","0.6338","","","","","","2.108","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105988","5.5033","0.0003","9.5289","0.0005","7.3328","0.0005","90","","104.493","0.006","90","","372.3","0.04","293","","293","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- Fe3.539 H4 O9 Si1.461 -","- Fe3.538 H4 O9 Si1.462 -","- Fe7.076 H8 O18 Si2.924 -","2","0.5","WF5112","Hybler, Jiří","Refinement of cronstedtite-1<i>M</i>","Acta Crystallographica Section B","2014","70","6","963","972","10.1107/S2052520614020897","","","0.71073","MoKα","","0.0271","0.0242","","","0.0342","0.035","","","","","","1.64","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105989","12.047","0.003","4.4525","0.0011","11.023","0.003","90","","90","","90","","591.3","0.3","10","2","10","2","","","","","","","","4","P n m a","-P 2ac 2n","62","ammonium carbonate monohydrate","ammonium carbonate monohydrate","","- C H10 N2 O4 -","- C H10 N2 O4 -","- C4 H40 N8 O16 -","4","0.5","EB5035","Fortes, A. Dominic; Wood, Ian G.; Alfè, Dario; Hernández, Eduardo R.; Gutmann, Matthias J.; Sparkes, Hazel A.","Structure, hydrogen bonding and thermal expansion of ammonium carbonate monohydrate","Acta Crystallographica Section B","2014","70","6","948","962","10.1107/S205252061402126X","","","","neutron","","0.0914","0.0914","","","0.2589","0.2589","","","","","","1.082","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105990","12.056","0.003","4.4519","0.0011","11.016","0.003","90","","90","","90","","591.3","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","ammonium carbonate monohydrate","ammonium carbonate monohydrate","","- C H10 N2 O4 -","- C H10 N2 O4 -","- C4 H40 N8 O16 -","4","0.5","EB5035","Fortes, A. Dominic; Wood, Ian G.; Alfè, Dario; Hernández, Eduardo R.; Gutmann, Matthias J.; Sparkes, Hazel A.","Structure, hydrogen bonding and thermal expansion of ammonium carbonate monohydrate","Acta Crystallographica Section B","2014","70","6","948","962","10.1107/S205252061402126X","","","","neutron","","0.0939","0.0939","","","0.266","0.266","","","","","","1.093","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105991","24.9224","0.001","16.5198","0.0007","30.8326","0.0012","90","","110.356","0.002","90","","11901.4","0.8","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85.39 H157.5 Cr7.01 F8 Mn N O33.5 -","- C85.384 H157.488 Cr7.01 F8 Mn0.99 N0.999 O33.5 -","- C341.536 H629.952 Cr28.04 F32 Mn3.96 N3.996 O134 -","4","1","PI5020","Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.","Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd","Acta Crystallographica Section B","2014","70","6","932","941","10.1107/S2052520614019179","","","0.71073","MoKα","","0.103","0.0726","","","0.1672","0.1952","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2105992","25.0491","0.0015","16.6301","0.001","30.9272","0.0018","90","","110.183","0.001","90","","12092.2","1.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85.4 H157.49 Cr7.02 F8 Fe0.98 N O33.5 -","- C85.397 H157.494 Cr7.02 F8 Fe0.98 N0.998 O33.5 -","- C341.588 H629.976 Cr28.08 F32 Fe3.92 N3.992 O134 -","4","1","","Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.","Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd","Acta Crystallographica Section B","2014","70","6","932","941","10.1107/S2052520614019179","","","0.71073","MoKα","","0.0959","0.0587","","","0.1594","0.1801","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2105993","25.0305","0.0013","16.6392","0.0009","30.9101","0.0016","90","","110.025","0.001","90","","12095.4","1.1","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85.42 H157.48 Co0.94 Cr7.06 F8 N O33.5 -","- C85.413 H157.476 Co0.946 Cr7.054 F8 N0.998 O33.5 -","- C341.652 H629.904 Co3.784 Cr28.216 F32 N3.992 O134 -","4","1","","Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.","Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd","Acta Crystallographica Section B","2014","70","6","932","941","10.1107/S2052520614019179","","","0.71073","MoKα","","0.0764","0.053","","","0.1462","0.1609","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2105994","24.8611","0.0016","16.5028","0.0012","30.85","0.002","90","","110.092","0.003","90","","11886.8","1.4","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85.46 H157.49 Cr7.07 F8 N Ni0.93 O33.5 -","- C85.457 H157.488 Cr7.068 F8 N0.999 Ni0.932 O33.5 -","- C341.828 H629.952 Cr28.272 F32 N3.996 Ni3.728 O134 -","4","1","","Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.","Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd","Acta Crystallographica Section B","2014","70","6","932","941","10.1107/S2052520614019179","","","0.71073","MoKα","","0.0887","0.0589","","","0.1368","0.1587","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2105995","24.941","0.005","16.549","0.003","30.871","0.006","90","","109.97","0.01","90","","11976","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85.4 H157.5 Cr7.07 F8 N O33.5 Zn0.925 -","- C85.399 H157.5 Cr7.075 F8 N O33.5 Zn0.925 -","- C341.596 H630 Cr28.3 F32 N4 O134 Zn3.7 -","4","1","","Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.","Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd","Acta Crystallographica Section B","2014","70","6","932","941","10.1107/S2052520614019179","","","0.71073","MoKα","","0.0932","0.07","","","0.169","0.1882","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2105996","25.0715","0.0006","16.5459","0.0004","31.1595","0.0008","90","","111.223","0.001","90","","12049.3","0.5","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85.39 H157.49 Cd0.89 Cr7.11 F8 N O33.5 -","- C85.392 H157.5 Cd0.902 Cr7.098 F8 N O33.5 -","- C341.568 H630 Cd3.608 Cr28.392 F32 N4 O134 -","4","1","","Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.","Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd","Acta Crystallographica Section B","2014","70","6","932","941","10.1107/S2052520614019179","","","0.71073","MoKα","","0.1258","0.0933","","","0.1899","0.2101","","","","","","1.157","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2105997","25.0974","0.0004","16.6749","0.0003","30.9582","0.0007","90","","110.205","0.001","90","","12158.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H160 Cr7 Cu F8 N O33 -","- C85.424 H153.508 Cr7.033 Cu0.967 F8 N O33.5 -","- C341.696 H614.032 Cr28.132 Cu3.868 F32 N4 O134 -","4","1","","Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P.","Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd","Acta Crystallographica Section B","2014","70","6","932","941","10.1107/S2052520614019179","","","0.71073","MoKα","","0.1337","0.0741","","","0.186","0.2265","","","","","","1.072","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2106652","11.9597","0.0019","11.9597","0.0019","11.6747","0.0019","90","","90","","90","","1669.9","0.5","296","2","296","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","Ammonium heptafluorotitanate","Ammonium heptafluorotitanate","","- F7 H12 N3 Ti -","- F7 H12 N3 Ti -","- F56 H96 N24 Ti8 -","8","0.5","BP5070","Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M.","Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","6","924","931","10.1107/s2052520614021192","","","0.71073","MoKα","","0.0999","0.048","","","0.1204","0.1524","","","","","","1.068","","","","has coordinates,has Fobs","218953","2020-10-21","18:00:00",""
"2106653","11.78316","0.00015","11.78316","0.00015","11.78316","0.00015","90","","90","","90","","1636.01","0.04","300","","300","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- F7 H12 N3 Ti -","- F7 H12 N3 Ti -","- F56 H96 N24 Ti8 -","8","0.333333","BP5070","Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M.","Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","6","924","931","10.1107/s2052520614021192","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.79","2.191","","","","","","","has coordinates,has Fobs","218953","2020-10-21","18:00:00",""
"2108350","11.78316","0.00015","11.78316","0.00015","11.78316","0.00015","90","","90","","90","","1636.01","0.04","143","","300","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- F7 H12 N3 Ti -","- F7 H12 N3 Ti -","- F56 H96 N24 Ti8 -","8","0.333333","BP5070","Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M.","Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","6","924","931","10.1107/s2052520614021192","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.79","2.191","","","","","","","has coordinates,has Fobs","218953","2020-10-21","18:00:00",""
"2238964","21.61","0.0018","8.3072","0.0007","25.898","0.003","90","","112.379","0.002","90","","4299","0.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-[2-(2-Nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]propan-1-one","","- C25 H20 N2 O5 S -","- C25 H20 N2 O5 S -","- C200 H160 N16 O40 S8 -","8","1","IS5331","Kanchanadevi, J.; Anbalagan, G.; Saravanan, V.; Mohanakrishnan, A. K.; Gunasekaran, B.; Manivannan, V.","(<i>E</i>)-1-[2-(2-Nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]propan-1-one","Acta Crystallographica Section E","2014","70","2","o148","","10.1107/S1600536814000506","","","0.71073","MoKα","","0.0852","0.0514","","","0.1279","0.1513","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238965","6.4433","0.0004","7.4563","0.0005","10.1989","0.0006","80.005","0.005","81.271","0.005","70.512","0.005","452.58","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(Z)-3-amino-4-(2-phenylhydrazono)pyrazol-5(4H)-one","(<i>Z</i>)-3-Amino-4-(2-phenylhydrazinylidene)-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C9 H9 N5 O -","- C9 H9 N5 O -","- C18 H18 N10 O2 -","2","1","ZQ2216","Elgazwy, Abdel-Sattar S. Hamad; Jones, Peter G.","A second polymorph of (<i>Z</i>)-3-amino-4-(2-phenylhydrazinylidene)-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2014","70","2","o141","o142","10.1107/S1600536814000427","","","0.71073","MoKα","","0.0399","0.0374","","","0.1046","0.1069","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238966","17.013","0.002","5.9474","0.001","17.542","0.004","90","","117.565","0.007","90","","1573.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-(4-Benzyloxy-2-hydroxybenzylidene)-<i>N</i>-methylhydrazinecarbothioamide","","- C16 H17 N3 O2 S -","- C16 H17 N3 O2 S -","- C64 H68 N12 O8 S4 -","4","1","","Sajitha, N. R.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","(<i>E</i>)-2-(4-Benzyloxy-2-hydroxybenzylidene)-<i>N</i>-methylhydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","2","o112","o113","10.1107/S1600536813034892","","","0.71073","MoKα","","0.0719","0.0428","","","0.1074","0.128","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238967","9.613","0.008","16.285","0.014","9.639","0.008","90","","101.679","0.009","90","","1478","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3-Bis{[2,3-dimethyl-6-(phenylvinyl)phenyl]imino}butane","","- C36 H36 N2 -","- C36 H36 N2 -","- C72 H72 N4 -","2","0.5","","Zhao, Jie; Yuan, Jianchao; Xu, Weibing; Chen, Jingjing; Mu, Yanqiong","2,3-Bis{[2,3-dimethyl-6-(phenylvinyl)phenyl]imino}butane","Acta Crystallographica Section E","2014","70","2","o130","","10.1107/S1600536814000440","","","0.71073","MoKα","","0.178","0.1034","","","0.2668","0.3266","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238968","23.714","0.005","11.827","0.002","17.58","0.003","90","","112.87","0.03","90","","4543","1.8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(thiocyanato-κ<i>N</i>)[tris(pyridin-2-ylmethyl)amine-κ^4^<i>N</i>]iron(II)","","- C20 H18 Fe N6 S2 -","- C20 H18 Fe N6 S2 -","- C160 H144 Fe8 N48 S16 -","8","1","XU5762","Dai, Jing-Wei; Li, Zhao-Yang; Sato, Osamu","Bis(thiocyanato-κ<i>N</i>)[tris(pyridin-2-ylmethyl)amine-κ^4^<i>N</i>]iron(II)","Acta Crystallographica Section E","2014","70","2","m35","","10.1107/S1600536813034818","","","0.71073","MoKα","","0.0976","0.0693","","","0.1846","0.2027","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238969","9.7368","0.0002","13.4345","0.0004","18.3933","0.0004","90","","90","","90","","2406.01","0.1","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[tetrakis(μ-1,1,1,3,3,3-hexafluoropropan-2-olato)iron(II)dipotassium]","","- C12 H4 F24 Fe K2 O4 -","- C12 H4 F24 Fe K2 O4 -","- C48 H16 F96 Fe4 K8 O16 -","4","1","","Purdy, Andrew P.; Butcher, Ray J.","Poly[tetrakis(μ-1,1,1,3,3,3-hexafluoropropan-2-olato)iron(II)dipotassium]","Acta Crystallographica Section E","2014","70","2","m32","m33","10.1107/S1600536813034946","","","1.54184","CuKα","","0.0795","0.068","","","0.1713","0.1816","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238970","9.261","0.004","16.405","0.007","14.331","0.006","90","","94.671","0.002","90","","2170","1.6","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-tricyanido-tetracyanidobis[hydrotris(pyrazoylborato)]tetramethanoldiiron(III)iron(II) dimethanol disolvate","","- C30 H44 B2 Fe3 N18 O6 -","- C30 H44 B2 Fe3 N18 O6 -","- C60 H88 B4 Fe6 N36 O12 -","2","0.5","PK2510","Zhang, Kuirun; Sato, Osamu","Di-μ-tricyanido-tetracyanidobis[hydrotris(pyrazoylborato)]tetramethanoldiiron(III)iron(II) dimethanol disolvate","Acta Crystallographica Section E","2014","70","2","m56","","10.1107/S1600536814001019","","","0.7107","MoKα","","0.0691","0.0638","","","0.1632","0.167","","","","","","1.132","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238971","12.0864","0.0002","6.96981","0.00011","23.4898","0.0004","90","","96.5141","0.0017","90","","1966","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Piperonylpiperazinium picrate","4-(2<i>H</i>-1,3-Benzodioxol-5-ylmethyl)piperazin-1-ium 2,4,6-trinitrophenolate","","- C18 H19 N5 O9 -","- C18 H19 N5 O9 -","- C72 H76 N20 O36 -","4","1","SJ5385","Kavitha, Channappa N.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H. S.","1-Piperonylpiperazinium picrate","Acta Crystallographica Section E","2014","70","2","o208","o209","10.1107/S1600536814001524","","","1.5418","CuKα","","0.0481","0.0425","","","0.1153","0.1205","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238972","7.6955","0.0008","16.618","0.002","18.224","0.002","79.206","0.009","87.563","0.009","83.976","0.009","2276.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","8-{1-[(4'-Fluoro-[1,1'-biphenyl]-4-yl)methyl]piperidin-4-yl}-3,4-dihydroquinolin-2(1<i>H</i>)-one chloroform 0.25-solvate","","- C27.25 H27.25 Cl0.75 F N2 O -","- C27.25 H27.25 Cl0.75 F N2 O -","- C109 H109 Cl3 F4 N8 O4 -","4","2","LR2120","Ullah, Nisar; Stoeckli-Evans, Helen","8-{1-[(4'-Fluoro-[1,1'-biphenyl]-4-yl)methyl]piperidin-4-yl}-3,4-dihydroquinolin-2(1<i>H</i>)-one chloroform 0.25-solvate","Acta Crystallographica Section E","2014","70","2","o103","o104","10.1107/S160053681303448X","","","0.71073","MoKα","","0.1212","0.0499","","","0.1036","0.1153","","","","","","0.692","","","","has coordinates,has disorder,has Fobs","282214","2023-04-03","16:35:42",""
"2238973","18.2208","0.0007","15.7672","0.0009","11.7034","0.0007","90","","90","","90","","3362.3","0.3","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","1-[6-(1<i>H</i>-Indol-1-yl)pyridin-2-yl]-1<i>H</i>-indole-3-carbaldehyde","","- C22 H15 N3 O -","- C22 H15 N3 O -","- C176 H120 N24 O8 -","8","1","HG5369","Ramathilagam, C.; Umarani, P. R.; Venkatesan, N.; Rajakumar, P.; Gunasekaran, B.; Manivannan, V.","1-[6-(1<i>H</i>-Indol-1-yl)pyridin-2-yl]-1<i>H</i>-indole-3-carbaldehyde","Acta Crystallographica Section E","2014","70","2","o106","","10.1107/S1600536813034375","","","0.71073","MoKα","","0.0951","0.046","","","0.0999","0.118","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238974","16.4075","0.0002","15.7975","0.0003","27.1065","0.0004","90","","90","","90","","7025.94","0.19","233","2","233","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[μ-3,3'-Diisopropyl-1,1'-(propane-1,3-diyl)bis(1,3-diazinan-2-ylidene)]bis[bromido(η^4^-cycloocta-1,5-diene)rhodium(I)]","","- C33 H56 Br2 N4 Rh2 -","- C33 H56 Br2 N4 Rh2 -","- C264 H448 Br16 N32 Rh16 -","8","1","","Pawar, Gajanan Manohar; Wurst, Klaus; Wang, Dongren; Buchmeiser, Michael","[μ-3,3'-Diisopropyl-1,1'-(propane-1,3-diyl)bis(1,3-diazinan-2-ylidene)]bis[bromido(η^4^-cycloocta-1,5-diene)rhodium(I)]","Acta Crystallographica Section E","2014","70","2","m71","m72","10.1107/S1600536814001135","","","0.71073","MoKα","","0.0469","0.0333","","","0.0713","0.0776","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238975","7.332","0.004","10.512","0.006","13.517","0.007","79.74","0.03","76.68","0.02","85.47","0.02","996.8","0.9","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate)","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C40 H44 Cl4 N4 O8 -","2","1","JJ2180","Yao, Zi-Shuo; Sato, Osamu","1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate)","Acta Crystallographica Section E","2014","70","2","o154","","10.1107/S1600536814000610","","","0.71075","MoKα","","0.0481","0.0365","","","0.0933","0.0966","","","","","","0.914","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238976","22.1032","0.0005","6.9925","0.0002","12.3366","0.0003","90","","94.16","0.003","90","","1901.68","0.08","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquabis(4-formylbenzoato-κ<i>O</i>^1^)nickel(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']","","- C20 H18 N2 Ni O8 -","- C20 H18 N2 Ni O8 -","- C80 H72 N8 Ni4 O32 -","4","0.5","SU2690","Çelik, Fatih; Dilek, Nefise; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","<i>catena</i>-Poly[[diaquabis(4-formylbenzoato-κ<i>O</i>^1^)nickel(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2014","70","2","m65","m66","10.1107/S160053681400155X","","","0.71073","MoKα","","0.0844","0.0787","","","0.2049","0.2085","","","","","","1.161","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238977","6.4423","0.0003","17.8302","0.0007","11.6843","0.0005","90","","105.474","0.002","90","","1293.5","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrachloridodi-μ~3~-oxido-tetrakis(μ~2~-propan-2-olato-κ^2^<i>O</i>:<i>O</i>)ditin(II)ditin(IV)","","- C12 H28 Cl4 O6 Sn4 -","- C12 H28 Cl4 O6 Sn4 -","- C24 H56 Cl8 O12 Sn8 -","2","0.5","HY2641","Yarushnikov, Oleg; Naumova, Dina; Klishin, Nikolai; Rusanov, Eduard; Brusylovets, Oleksii","Tetrachloridodi-μ~3~-oxido-tetrakis(μ~2~-propan-2-olato-κ^2^<i>O</i>:<i>O</i>)ditin(II)ditin(IV)","Acta Crystallographica Section E","2014","70","2","m45","m46","10.1107/S1600536814000816","","","0.71073","MoKα","","0.0614","0.0379","","","0.0558","0.0611","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238978","18.6364","0.0007","12.1665","0.0004","21.1272","0.0007","90","","91.461","0.002","90","","4788.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-(4,5-Dichloro-2-nitrophenyl)-4-methoxy-3-methyl-9-phenylsulfonyl-9<i>H</i>-carbazole","","- C26 H18 Cl2 N2 O5 S -","- C26 H18 Cl2 N2 O5 S -","- C208 H144 Cl16 N16 O40 S8 -","8","1","RK2420","Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","2-(4,5-Dichloro-2-nitrophenyl)-4-methoxy-3-methyl-9-phenylsulfonyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2014","70","2","o212","o213","10.1107/S1600536814001342","","","0.71073","MoKα","","0.0525","0.0378","","","0.0997","0.112","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238979","19.687","0.003","6.3064","0.001","20.611","0.003","90","","97.85","0.003","90","","2535","0.7","100","2","100","2","","","","","","","","4","C 1 2/n 1","-C 2yac","15","","5-Imino-3,4-diphenyl-1<i>H</i>-pyrrol-2-one","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","JJ2181","Bulatov, Evgeny; Chulkova, Tatiana; Haukka, Matti","5-Imino-3,4-diphenyl-1<i>H</i>-pyrrol-2-one","Acta Crystallographica Section E","2014","70","2","o162","","10.1107/S1600536814001032","","","0.71073","MoKα","","0.0972","0.0426","","","0.0815","0.0967","","","","","","0.996","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238980","5.6684","0.0016","8.601","0.003","10.336","0.003","87.72","0.019","85.696","0.017","85.649","0.017","500.8","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","enaminone propanoic acid","(<i>S</i>,<i>Z</i>)-3-Phenyl-2-[(1,1,1-trichloro-7-methoxy-2,7-dioxohept-3-en-4-yl)amino]propanoic acid monohydrate","","- C17 H20 Cl3 N O6 -","- C17 H20 Cl3 N O6 -","- C17 H20 Cl3 N O6 -","1","1","PK2509","Flores, Alex Fabiani Claro; de Vicenti, Juliano Rosa; Pizzuti, Lucas; Campos, Patrick Teixeira","(<i>S</i>,<i>Z</i>)-3-Phenyl-2-[(1,1,1-trichloro-7-methoxy-2,7-dioxohept-3-en-4-yl)amino]propanoic acid monohydrate","Acta Crystallographica Section E","2014","70","2","o169","o170","10.1107/S1600536814000154","","","0.71073","MoKα","","0.0525","0.0396","","","0.0966","0.1046","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238981","4.9736","0.0005","23.245","0.002","12.7197","0.0011","90","","100.82","0.004","90","","1444.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Methylphenylsulfonyl)-3-nitrobenzamide","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C56 H48 N8 O20 S4 -","4","1","HB7184","Sreenivasa, S.; Nanjundaswamy, M. S.; Sudha, A. G.; Pampa, K. J.; Lokanath, N. K.; Suchetan, P. A.","<i>N</i>-(4-Methylphenylsulfonyl)-3-nitrobenzamide","Acta Crystallographica Section E","2014","70","2","o191","","10.1107/S1600536814001317","","","1.54178","CuKα","","0.0449","0.0393","","","0.1105","0.1141","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238982","9.0539","0.0004","11.6668","0.0006","11.8297","0.0019","90","","94.863","0.01","90","","1245.1","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Carboxynaphthalen-2-yl acetate monohydrate","","- C13 H12 O5 -","- C13 H12 O5 -","- C52 H48 O20 -","4","1","HG5366","Souza, Bruno S.; Bortoluzzi, Adailton J.; Nome, Faruk","1-Carboxynaphthalen-2-yl acetate monohydrate","Acta Crystallographica Section E","2014","70","2","o105","","10.1107/S1600536813034338","","","0.71073","MoKα","","0.1122","0.0449","","","0.1041","0.1248","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238983","7.6816","0.0003","9.6478","0.0004","11.3738","0.0004","75.409","0.002","84.062","0.002","71.684","0.002","774.14","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Iodo-7-methyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","","- C17 H15 I O2 S -","- C17 H15 I O2 S -","- C34 H30 I2 O4 S2 -","2","1","PK2514","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Iodo-7-methyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2014","70","2","o178","","10.1107/S1600536814000865","","","0.71073","MoKα","","0.0184","0.0166","","","0.0432","0.0443","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238984","17.6363","0.0014","10.7968","0.0009","13.6308","0.0009","90","","103.26","0.003","90","","2526.3","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-<i>p</i>-Tolyl-2,3-dihydroquinolin-4(1<i>H</i>)-one","","- C16 H15 N O -","- C16 H15 N O -","- C128 H120 N8 O8 -","8","1","LH5684","Chelghoum, Meryem; Bouraiou, Abdelmalek; Bouacida, Sofiane; Bahnous, Mebarek; Belfaitah, Ali","2-<i>p</i>-Tolyl-2,3-dihydroquinolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2014","70","2","o214","o215","10.1107/S1600536814001676","","","0.71073","MoKα","","0.0669","0.0529","","","0.1427","0.1534","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238985","10.5668","0.0011","5.6092","0.0006","8.5141","0.0009","90","","109.79","0.006","90","","474.84","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(methanesulfonamide)","","- C4 H12 N2 O4 S2 -","- C4 H12 N2 O4 S2 -","- C8 H24 N4 O8 S4 -","2","0.5","NK2217","Chan, Wesley Ting Kwok; Kung, Ka Yan Karen; Wong, Man-kin","<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(methanesulfonamide)","Acta Crystallographica Section E","2014","70","2","o152","","10.1107/S1600536814000622","","","0.71073","MoKα","","0.0338","0.0318","","","0.0968","0.0991","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238986","12.2801","0.0016","23.038","0.003","13.7091","0.0016","90","","104.499","0.004","90","","3754.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis[bis(pyridin-2-yl)amine-κ<i>N</i>^2^](nitrato-κ<i>O</i>)silver(I)","","- C40 H36 Ag N13 O3 -","- C40 H36 Ag N13 O3 -","- C160 H144 Ag4 N52 O12 -","4","1","HY2640","Parashchenko, Yuliia; Pavlishchuk, Anna; Bokach, Nadezhda A.; Haukka, Matti","Tetrakis[bis(pyridin-2-yl)amine-κ<i>N</i>^2^](nitrato-κ<i>O</i>)silver(I)","Acta Crystallographica Section E","2014","70","2","m58","m59","10.1107/S1600536814000907","","","0.71073","MoKα","","0.1291","0.0606","","","0.1259","0.1508","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238987","16.0965","0.0014","4.8453","0.0004","9.5538","0.0009","90","","90","","90","","745.12","0.11","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-Fluoro-4-[(<i>E</i>)-2-nitrovinyl]benzene","","- C8 H6 F N O2 -","- C8 H6 F N O2 -","- C32 H24 F4 N4 O8 -","4","1","HB7182","Sreenivasa, S.; Nanjundaswamy, M. S.; Manojkumar, K. E.; Madankumar, S.; Lokanath, N. K.; Suchetan, P. A.","1-Fluoro-4-[(<i>E</i>)-2-nitrovinyl]benzene","Acta Crystallographica Section E","2014","70","2","o124","","10.1107/S1600536814000348","","","1.54178","CuKα","","0.0869","0.0781","","","0.192","0.2032","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238988","10.494","0.003","7.417","0.002","13.487","0.004","90","","91.46","0.05","90","","1049.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methylbenzene-1,3-diammonium dinitrate","","- C7 H12 N4 O6 -","- C7 H12 N4 O6 -","- C28 H48 N16 O24 -","4","1","LR2121","Ben Hassen, Dhouha; Rekik, Walid; Naïli, Houcine; Lis, Tadeusz; Grobelny, Roman","2-Methylbenzene-1,3-diammonium dinitrate","Acta Crystallographica Section E","2014","70","2","o204","","10.1107/S1600536814001561","","","0.71073","MoKα","","0.0663","0.0381","","","0.0844","0.0914","","","","","","0.838","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238989","8.1937","0.0005","11.6112","0.0008","12.4346","0.0009","93.886","0.002","93.952","0.003","97.772","0.002","1165.8","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-(4-Chloro-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde","","- C26 H17 Cl N2 O6 S -","- C26 H17 Cl N2 O6 S -","- C52 H34 Cl2 N4 O12 S2 -","2","1","LD2117","Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","2-(4-Chloro-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde","Acta Crystallographica Section E","2014","70","2","o230","o231","10.1107/S1600536814001809","","","0.71073","MoKα","","0.0654","0.0557","","","0.1422","0.1521","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238990","15.9332","0.0007","7.8915","0.0003","30.4062","0.0014","90","","90","","90","","3823.2","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-(9-Ethyl-9<i>H</i>-carbazol-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C192 H168 N8 O16 -","8","1","LH5681","Lai, Hongshan; Gallucci, Judith C.; Li, Chenglong","(<i>E</i>)-3-(9-Ethyl-9<i>H</i>-carbazol-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","2","o190","","10.1107/S1600536814001263","","","0.71073","MoKα","","0.1193","0.0475","","","0.083","0.1016","","","","","","1.001","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238991","5.3059","0.0005","10.6343","0.001","11.9139","0.0011","89.792","0.003","87.392","0.003","83.944","0.003","667.79","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Methoxybenzoyl)benzenesulfonamide","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C28 H26 N2 O8 S2 -","2","1","HB7187","Sreenivasa, S.; Nanjundaswamy, M. S.; Madankumar, S.; Lokanath, N. K.; Suresha, E.; Suchetan, P. A.","<i>N</i>-(4-Methoxybenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2014","70","2","o192","","10.1107/S1600536814001330","","","1.54178","CuKα","","0.0689","0.0678","","","0.157","0.1583","","","","","","1.13","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238992","9.0903","0.0008","9.573","0.0008","15.2638","0.0013","74.617","0.001","83.676","0.001","77.091","0.001","1246.49","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diaqua{μ~2~-<i>N</i>,<i>N</i>'-bis[(cyclohexanylidene)amino]oxamide}bis(triphenylphosphane)silver(I) dinitrate","","- C50 H56 Ag2 N6 O10 P2 -","- C50 H56 Ag2 N6 O10 P2 -","- C50 H56 Ag2 N6 O10 P2 -","1","0.5","LH5679","Nimthong, Ruthairat; Thepsena, Nattakunya; Puetpaiboon, Walailak; Wattanakanjana, Yupa","Diaqua{μ~2~-<i>N</i>,<i>N</i>'-bis[(cyclohexanylidene)amino]oxamide}bis(triphenylphosphane)silver(I) dinitrate","Acta Crystallographica Section E","2014","70","2","m30","m31","10.1107/S1600536813034454","","","0.71073","MoKα","","0.031","0.0282","","","0.0703","0.0722","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238993","5.8934","0.0003","10.6591","0.0006","13.8697","0.0007","90","","90.812","0.001","90","","871.18","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Bromo-4-phenyl-1,3-thiazole","","- C9 H6 Br N S -","- C9 H6 Br N S -","- C36 H24 Br4 N4 S4 -","4","1","CV5440","Bunev, Alexander S.; Rudakova, Yana I.; Statsyuk, Vladimir E.; Ostapenko, Gennady I.; Khrustalev, Victor N.","2-Bromo-4-phenyl-1,3-thiazole","Acta Crystallographica Section E","2014","70","2","o139","","10.1107/S160053681400066X","","","0.71073","MoKα","","0.0412","0.0286","","","0.0643","0.0675","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238994","5.6414","0.0002","11.1604","0.0004","13.3724","0.0005","73.823","0.002","87.226","0.002","88.566","0.002","807.59","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-{5-[(3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","","- C15 H16 N4 O3 S -","- C15 H16 N4 O3 S -","- C30 H32 N8 O6 S2 -","2","1","TK5283","Sebbar, Nada Kheira; Zerzouf, Abdelfettah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 2-{5-[(3-oxo-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-4-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","Acta Crystallographica Section E","2014","70","2","o116","","10.1107/S1600536813034697","","","0.71073","MoKα","","0.0537","0.045","","","0.1175","0.124","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238995","7.1021","0.0001","11.2476","0.0002","10.7045","0.0002","90","","102.479","0.001","90","","834.89","0.02","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[2-(Dimethylazaniumyl)ethyl]-1<i>H</i>-1,2,3,4-tetrazole-5-thiolate","","- C5 H11 N5 S -","- C5 H11 N5 S -","- C20 H44 N20 S4 -","4","1","BV2228","Tagore, Sadasivam Sharmila; Krishna, Sivaraman; Gomathi, Sundaramoorthy; Sethuraman, Velusamy","1-[2-(Dimethylazaniumyl)ethyl]-1<i>H</i>-1,2,3,4-tetrazole-5-thiolate","Acta Crystallographica Section E","2014","70","2","o224","","10.1107/S1600536814001573","","","0.71073","MoKα","","0.0465","0.0382","","","0.0887","0.0924","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238996","10.133","0.0011","27.318","0.003","5.5402","0.0006","90","","90","","90","","1533.6","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,6-Bis(4-methoxyphenyl)-1,4-dithiine","","- C18 H16 O2 S2 -","- C18 H16 O2 S2 -","- C72 H64 O8 S8 -","4","0.5","","Zhao, Sha-Sha; Su, Qiong; Peng, Zhi-Hong; An, De-Lie","2,6-Bis(4-methoxyphenyl)-1,4-dithiine","Acta Crystallographica Section E","2014","70","2","o137","","10.1107/S1600536814000397","","","0.71073","MoKα","","0.0488","0.0378","","","0.0967","0.1015","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238997","19.9622","0.0016","8.0484","0.0006","22.8969","0.0018","90","","90","","90","","3678.7","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-[2-(4-Fluorophenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione","","- C23 H17 F N2 O3 -","- C23 H17 F N2 O3 -","- C184 H136 F8 N16 O24 -","8","2","FJ2658","Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.","3-[2-(4-Fluorophenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione","Acta Crystallographica Section E","2014","70","2","o226","o227","10.1107/S1600536814001743","","","0.71073","MoKα","","0.0603","0.0409","","","0.0764","0.0839","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238998","8.7481","0.0005","10.7677","0.0006","14.4789","0.0008","87.203","0.001","79.389","0.001","73.929","0.001","1288.15","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","[1,4-Bis(diphenylphosphanyl)butane-κ^2^<i>P</i>,<i>P</i>']dibromidopalladium(II)","","- C28 H28 Br2 P2 Pd -","- C28 H28 Br2 P2 Pd -","- C56 H56 Br4 P4 Pd2 -","2","1","TK5286","Ha, Kwang; Song, Yo Soon","[1,4-Bis(diphenylphosphanyl)butane-κ^2^<i>P</i>,<i>P</i>']dibromidopalladium(II)","Acta Crystallographica Section E","2014","70","2","m41","","10.1107/S1600536814000774","","","0.71073","MoKα","","0.0652","0.0454","","","0.1009","0.1204","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238999","8.3643","0.0006","8.8308","0.0015","11.6446","0.0012","88.219","0.01","83.649","0.007","79.7","0.007","841","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Diethylammonium dihydrogen orthophosphate","","- C4 H14 N O4 P -","- C4 H14 N O4 P -","- C16 H56 N4 O16 P4 -","4","2","WM2794","Held, Peter","Diethylammonium dihydrogen orthophosphate","Acta Crystallographica Section E","2014","70","2","o129","","10.1107/S1600536814000464","","","0.71073","MoKα","","0.0875","0.0398","","","0.0986","0.1186","","","","","","0.984","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239000","7.924","0.002","14.772","0.004","18.151","0.005","90","","90","","90","","2124.6","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-<i>N</i>-[(<i>R</i>)-2,2-Dichloro-1-phenyl-2-(phenylsulfonyl)ethyl]-2-methylpropane-2-sulfinamide","","- C18 H21 Cl2 N O3 S2 -","- C18 H21 Cl2 N O3 S2 -","- C72 H84 Cl8 N4 O12 S8 -","4","1","ZS2283","Huang, Haiji; Li, Ya; Chu, Jingming","(<i>R</i>)-<i>N</i>-[(<i>R</i>)-2,2-Dichloro-1-phenyl-2-(phenylsulfonyl)ethyl]-2-methylpropane-2-sulfinamide","Acta Crystallographica Section E","2014","70","2","o119","","10.1107/S1600536813034909","","","0.71073","MoKα","","0.0407","0.0376","","","0.085","0.0864","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239001","11.2858","0.0003","17.5442","0.0004","24.7745","0.0005","90","","92.8922","0.0019","90","","4899.1","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tris(2,6-dibenzoyl-4-methylphenolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobalt(III)","","- C63 H45 Co O9 -","- C63 H45 Co O9 -","- C252 H180 Co4 O36 -","4","1","HG5379","Gupta, Abhishek K.; Srivastava, Sanjay; Butcher, Ray J.","Tris(2,6-dibenzoyl-4-methylphenolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobalt(III)","Acta Crystallographica Section E","2014","70","2","m67","m68","10.1107/S1600536814001664","","","1.54184","CuKα","","0.0627","0.0553","","","0.144","0.1535","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239002","7.5953","0.0004","11.8232","0.0007","14.7017","0.0008","79.614","0.001","84.824","0.002","73.09","0.001","1241.44","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[[diaquadeca-μ~2~-cyanido-κ^20^<i>C</i>:<i>N</i>-hexacyanido-κ^6^<i>C</i>-bis(μ~2~-5-methylpyrimidine-κ^2^<i>N</i>:<i>N</i>')bis(5-methylpyrimidine-κ<i>N</i>)tricopper(II)ditungstate(V)] dihydrate]","","- C36 H32 Cu3 N24 O4 W2 -","- C36 H32 Cu3 N24 O4 W2 -","- C36 H32 Cu3 N24 O4 W2 -","1","0.5","","Tsunobuchi, Yoshihide; Kaneko, Souhei; Nakabayashi, Koji; Ohkoshi, Shin-ichi","Poly[[diaquadeca-μ~2~-cyanido-κ^20^<i>C</i>:<i>N</i>-hexacyanido-κ^6^<i>C</i>-bis(μ~2~-5-methylpyrimidine-κ^2^<i>N</i>:<i>N</i>')bis(5-methylpyrimidine-κ<i>N</i>)tricopper(II)ditungstate(V)] dihydrate]","Acta Crystallographica Section E","2014","70","2","m47","m48","10.1107/S1600536814000166","","","0.71075","MoKα","","0.0301","0.0292","","","0.0748","0.0785","","","","","","1.243","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239003","14.5996","0.0006","14.5996","0.0006","9.5718","0.0004","90","","90","","90","","2040.21","0.15","173","2","173","2","","","","","","","","5","I -4 2 m","I -4 2","121","","Tetrakis(dipropylammonium) tetrakis(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV)","","- C32 H66 N4 O17 Sn -","- C32 H66 N4 O17 Sn -","- C64 H132 N8 O34 Sn2 -","2","0.125","WM2795","Gueye, Ndongo; Diop, Libasse; Stoeckli-Evans, Helen","Tetrakis(dipropylammonium) tetrakis(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV) monohydrate: a complex with an eight-coordinate Sn^IV^ atom","Acta Crystallographica Section E","2014","70","2","m49","m50","10.1107/S160053681303496X","","","0.71073","MoKα","","0.021","0.021","","","0.0536","0.0537","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239004","15.511","0.003","8.4745","0.0017","16.882","0.007","90","","97.73","0.03","90","","2198.9","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Diethylamino-3-{(<i>E</i>)-4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]styryl}-2<i>H</i>-chromen-2-one","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C112 H104 N8 O8 -","4","1","XU5763","Zhou, Li-Ping; Long, Ling-Liang","7-Diethylamino-3-{(<i>E</i>)-4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]styryl}-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2014","70","2","o176","","10.1107/S1600536814001123","","","0.71073","MoKα","","0.1058","0.0767","","","0.1527","0.1695","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239005","8.9351","0.0011","9.3268","0.001","9.9579","0.0011","73.098","0.008","69.124","0.008","62.148","0.008","677.75","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-[(1<i>H</i>-Benzimidazol-1-yl)methyl]phenol benzene hemisolvate","","- C17 H15 N2 O -","- C17 H15 N2 O -","- C34 H30 N4 O2 -","2","1","SJ5381","Rivera, Augusto; Jiménez-Cruz, Leonardo; Bolte, Michael","2-[(1<i>H</i>-Benzimidazol-1-yl)methyl]phenol benzene hemisolvate","Acta Crystallographica Section E","2014","70","2","o177","","10.1107/S1600536814000841","","","0.71073","MoKα","","0.0451","0.0403","","","0.1053","0.1077","","","","","","1.12","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239006","11.425","0.001","9.679","0.002","15.205","0.003","90","","91.52","0.01","90","","1680.8","0.5","301","2","301","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","μ-Cyanido-κ^2^<i>C</i>:<i>N</i>-dicyanido-κ^2^<i>C</i>-bis(<i>N</i>-ethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)copper(I)","","- C11 H24 Cu2 N7 -","- C11 H24 Cu2 N7 -","- C44 H96 Cu8 N28 -","4","0.5","","Corfield, Peter W. R.; Michalski, Joseph F.","μ-Cyanido-κ^2^<i>C</i>:<i>N</i>-dicyanido-κ^2^<i>C</i>-bis(<i>N</i>-ethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)copper(I)","Acta Crystallographica Section E","2014","70","2","m76","m77","10.1107/S160053681400172X","","","0.7107","MoKα","","0.0231","0.0199","","","0.0603","0.0616","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239007","9.351","0.001","13.8153","0.0016","10.1514","0.0009","90","","105.295","0.004","90","","1265","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","16-Oxapentacyclo[6.6.5.0^1,18^.0^2,7^.0^9,14^]nonadeca-2,4,6,9,11,13,18-heptaen-15-one","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Mathew, Eason M.; Sithambaresan, M.; Unnikrishnan, P. A.; Kurup, M. R. Prathapachandra","16-Oxapentacyclo[6.6.5.0^1,18^.0^2,7^.0^9,14^]nonadeca-2,4,6,9,11,13,18-heptaen-15-one","Acta Crystallographica Section E","2014","70","2","o114","","10.1107/S1600536814000026","","","0.71073","MoKα","","0.0686","0.0444","","","0.1146","0.1321","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239008","10.1823","0.0007","8.0932","0.0006","13.8111","0.0012","90","","102.749","0.002","90","","1110.08","0.15","295","2","295","2","","","","","","","","6","P 1 n 1","P -2yac","7","","(<i>E</i>)-2-Bromo-1-[2-(2-nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]ethanone","","- C24 H17 Br N2 O5 S -","- C24 H17 Br N2 O5 S -","- C48 H34 Br2 N4 O10 S2 -","2","1","HG5374","Kanchanadevi, J.; Anbalagan, G.; Saravanan, V.; Mohanakrishnan, A. K.; Gunasekaran, B.; Manivannan, V.","(<i>E</i>)-2-Bromo-1-[2-(2-nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]ethanone","Acta Crystallographica Section E","2014","70","2","o149","","10.1107/S1600536814000488","","","0.71073","MoKα","","0.0649","0.0436","","","0.1047","0.1162","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239009","8.6981","0.0006","11.7074","0.0007","12.5612","0.0006","90","","107.626","0.004","90","","1219.08","0.13","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-(1,4-Phenylene)bis(propane-2,2-diyl) bis(benzodithioate)","","- C26 H26 S4 -","- C26 H26 S4 -","- C52 H52 S8 -","2","0.5","KJ2235","Moreno-Fuquen, Rodolfo; Grande, Carlos; Advincula, Rigoberto C.; Tenorio, Juan C.; Ellena, Javier","2,2'-(1,4-Phenylene)bis(propane-2,2-diyl) bis(benzodithioate)","Acta Crystallographica Section E","2014","70","2","o117","","10.1107/S160053681303465X","","","0.71073","MoKα","","0.0428","0.0324","","","0.0846","0.0911","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239010","7.845","0.005","8.365","0.005","13.703","0.005","81.565","0.005","81.944","0.005","76.183","0.005","858.6","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-(4-bromoanilino)-2',5-dioxo-5<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate","","- C19 H13 Br N2 O5 -","- C19 H13 Br N2 O5 -","- C38 H26 Br2 N4 O10 -","2","1","SU2688","Gangadharan, Rajeswari; Kiruthika, Selvarangam E.; Sethusankar, K.; Perumal, P. T.","Methyl 4-(4-bromoanilino)-2',5-dioxo-5<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate","Acta Crystallographica Section E","2014","70","2","o210","o211","10.1107/S1600536814001329","","","0.71073","MoKα","","0.0628","0.0338","","","0.0848","0.0952","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239011","9.3443","0.0013","10.2267","0.0015","10.7258","0.0016","64.794","0.004","69.417","0.004","83.699","0.004","867.2","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","trans-Mo(CO)4(PPh3)2","<i>trans</i>-Tetracarbonylbis(triphenylphosphane-κ<i>P</i>)molybdenum(0)","","- C40 H30 Mo O4 P2 -","- C40 H30 Mo O4 P2 -","- C40 H30 Mo O4 P2 -","1","0.5","PJ2007","Waldhart, Greyson W.; Mankad, Neal P.","<i>trans</i>-Tetracarbonylbis(triphenylphosphane-κ<i>P</i>)molybdenum(0)","Acta Crystallographica Section E","2014","70","2","m36","","10.1107/S1600536814000300","","","0.71073","MoKα","","0.0238","0.022","","","0.0561","0.0575","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239012","16.0284","0.0011","6.9756","0.0004","12.4127","0.0009","90","","96.043","0.007","90","","1380.12","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-2-(3,4-Dichlorobenzylidene)hydrazin-1-yl]quinoxaline","","- C15 H10 Cl2 N4 -","- C15 H10 Cl2 N4 -","- C60 H40 Cl8 N16 -","4","1","","Noguiera, Thais C. M.; Pinheiro, Alexandra C.; de Souza, Marcus V. N.; Wardell, James L.; Tiekink, Edward R. T.","2-[(<i>E</i>)-2-(3,4-Dichlorobenzylidene)hydrazin-1-yl]quinoxaline","Acta Crystallographica Section E","2014","70","2","o125","","10.1107/S1600536814000415","","","0.71073","MoKα","","0.0959","0.0596","","","0.1538","0.219","","","","","","1.204","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239013","7.455","0.001","8.002","0.002","14.105","0.001","91.72","0.01","96.98","0.01","99.19","0.01","823.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","1-(4-Hydroxyphenyl)piperazine-1,4-diium tetrachloridocobalt(II) monohydrate","","- C10 H18 Cl4 Co N2 O2 -","- C10 H18 Cl4 Co N2 O2 -","- C20 H36 Cl8 Co2 N4 O4 -","2","1","","Mghandef, Marwa; Boughzala, Habib","1-(4-Hydroxyphenyl)piperazine-1,4-diium tetrachloridocobalt(II) monohydrate","Acta Crystallographica Section E","2014","70","2","m75","","10.1107/S1600536814001767","","","0.71073","MoKα","","0.0371","0.0371","","","0.1015","0.1015","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239014","17.703","0.002","10.7537","0.0017","13.658","0.002","90","","105.486","0.006","90","","2505.7","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(4-Chlorophenyl)-2,3-dihydroquinolin-4(1<i>H</i>)-one","","- C15 H12 Cl N O -","- C15 H12 Cl N O -","- C120 H96 Cl8 N8 O8 -","8","1","TK5289","Chelghoum, Meryem; Bouraiou, Abdelmalek; Bouacida, Sofiane; Bahnous, Mebarek; Belfaitah, Ali","2-(4-Chlorophenyl)-2,3-dihydroquinolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2014","70","2","o202","o203","10.1107/S1600536814001548","","","0.71073","MoKα","","0.057","0.0449","","","0.1017","0.1073","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239015","8.2261","0.0003","11.6007","0.0005","14.5738","0.0005","90","","90","","90","","1390.76","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,5-dimethylphenyl quinoline-2-carboxylate","2,5-Dimethylphenyl quinoline-2-carboxylate","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","HB7183","Fazal, E.; Kaur, Manpreet; Jasinski, Jerry P.; Nagarajan, S.; Sudha, B. S.","2,5-Dimethylphenyl quinoline-2-carboxylate","Acta Crystallographica Section E","2014","70","2","o147","","10.1107/S160053681400052X","","","1.54184","CuKα","","0.037","0.0353","","","0.0988","0.1006","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239016","13.0049","0.0003","7.5262","0.0002","13.3616","0.0003","90","","90","","90","","1307.8","0.05","290","1","290","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Potassium niobium tris(disulfide) tantalum thiophosphate","<i>catena</i>-Poly[potassium [tri-μ-disulfido-μ-tetrathiophosphato-di[niobate(IV)/tantalate(IV)(0.885/0.115)]]]","","- K Nb1.77 P S10 Ta0.23 -","- K Nb1.7718 P S10 Ta0.2282 -","- K4 Nb7.0872 P4 S40 Ta0.9128 -","4","1","","Lee, Yoonjeong; Yoon, Woojin; Yun, Hoseop","The mixed-metal tris(disulfide) thiophosphate, KNb~1.77~Ta~0.23~PS~10~","Acta Crystallographica Section E","2014","70","2","i8","","10.1107/S1600536814000592","","","0.71073","MoKα","","0.021","0.0193","","","","0.0403","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239017","10.824","0.002","20.021","0.004","11.826","0.002","90","","91.15","0.01","90","","2562.3","0.8","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Hydrido(prolinato-κ^2^<i>N</i>,<i>O</i>)tris(trimethylphosphane-κ<i>P</i>)iridium hexafluoridophosphate","","- C14 H36 F6 Ir N O2 P4 -","- C14 H36 F6 Ir N O2 P4 -","- C56 H144 F24 Ir4 N4 O8 P16 -","4","2","PK2511","Merola, Joseph S.; Roy, Christopher P.","Hydrido(prolinato-κ^2^<i>N</i>,<i>O</i>)tris(trimethylphosphane-κ<i>P</i>)iridium(III) hexafluoridophosphate","Acta Crystallographica Section E","2014","70","2","m73","m74","10.1107/S1600536814001834","","","0.71073","MoKα","","0.037","0.0315","","","0.0724","0.0751","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239018","8.4415","0.0003","18.0256","0.0007","10.026","0.0003","90","","107.495","0.002","90","","1455.02","0.09","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-Phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","","- C17 H17 N3 S -","- C17 H17 N3 S -","- C68 H68 N12 S4 -","4","1","BT6959","de Oliveira, Adriano Bof; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke","<i>N</i>-Phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","2","o205","","10.1107/S1600536814001585","","","0.71073","MoKα","","0.0454","0.0358","","","0.0847","0.0889","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239019","9.8457","0.0002","8.4032","0.0002","19.9127","0.0005","90","","90.97","0.002","90","","1647.25","0.07","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-[4-(Azidomethyl)phenyl]-9<i>H</i>-carbazole-3-carbonitrile","","- C20 H13 N5 -","- C20 H13 N5 -","- C80 H52 N20 -","4","1","HB7185","Ramathilagam, C.; Umarani, P. R.; Venkatesan, N.; Rajakumar, P.; Gunasekaran, B.; Manivannan, V.","9-[4-(Azidomethyl)phenyl]-9<i>H</i>-carbazole-3-carbonitrile","Acta Crystallographica Section E","2014","70","2","o197","","10.1107/S1600536814001391","","","0.71073","MoKα","","0.0951","0.0646","","","0.2006","0.2298","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239020","13.2712","0.0014","14.3999","0.0015","20.198","0.002","90","","107.934","0.002","90","","3672.4","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[1<i>H</i>-1,2,4-Triazole-5(4<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)(nitrato-κ<i>O</i>)silver(I) methanol monosolvate","","- C39 H37 Ag N4 O4 P2 S -","- C39 H37 Ag N4 O4 P2 S -","- C156 H148 Ag4 N16 O16 P8 S4 -","4","1","LH5682","Wattanakanjana, Yupa; Palamae, Sureeporn; Ratthiwan, Jenejira; Nimthong, Ruthairat","[1<i>H</i>-1,2,4-Triazole-5(4<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)(nitrato-κ<i>O</i>)silver(I) methanol monosolvate","Acta Crystallographica Section E","2014","70","2","m61","m62","10.1107/S1600536814001196","","","0.71073","MoKα","","0.0537","0.0405","","","0.0928","0.1001","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239021","25.2013","0.0007","4.66818","0.00009","15.7013","0.0004","90","","104.926","0.003","90","","1784.84","0.08","123","0.2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Dodecylindoline-2,3-dione","","- C20 H29 N O2 -","- C20 H29 N O2 -","- C80 H116 N4 O8 -","4","1","RZ5103","Qachchachi, Fatima-Zahrae; Ouazzani Chahdi, Fouad; Misbahi, Houria; Bodensteiner, Michael; El Ammari, Lahcen","1-Dodecylindoline-2,3-dione","Acta Crystallographica Section E","2014","70","2","o229","","10.1107/S1600536814001792","","","1.54184","CuKα","","0.0407","0.0349","","","0.0946","0.1001","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239022","9.9239","0.0003","9.1968","0.0003","30.0099","0.0008","90","","96.617","0.003","90","","2720.7","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Flupentixol tartrate","1-(2-Hydroxyethyl)-4-{3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl}piperazin-1-ium 3-carboxy-2,3-dihydroxypropionate","","- C27 H31 F3 N2 O7 S -","- C27 H31 F3 N2 O7 S -","- C108 H124 F12 N8 O28 S4 -","4","1","SU2691","Yamuna, Thammarse S.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H.S.","Flupentixol tartrate","Acta Crystallographica Section E","2014","70","2","o206","o207","10.1107/S1600536814001536","","","1.54184","CuKα","","0.0937","0.0779","","","0.196","0.2057","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239023","11.8961","0.0003","12.064","0.0003","21.2489","0.0005","90","","97.036","0.001","90","","3026.56","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Cyanido-κ<i>C</i>)(2,2-diphenylacetamido-κ^2^<i>N</i>,<i>O</i>)bis(η^5^-pentamethylcyclopentadienyl)zirconium(IV)","","- C35 H42 N2 O Zr -","- C35 H42 N2 O Zr -","- C140 H168 N8 O4 Zr4 -","4","1","BT6957","Becker, Lisanne; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe","(Cyanido-κ<i>C</i>)(2,2-diphenylacetamido-κ^2^<i>N</i>,<i>O</i>)bis(η^5^-pentamethylcyclopentadienyl)zirconium(IV)","Acta Crystallographica Section E","2014","70","2","m57","","10.1107/S1600536814001160","","","0.71073","MoKα","","0.0436","0.033","","","0.0782","0.0848","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239024","12.8354","0.0009","18.4979","0.0017","18.7933","0.0018","90","","92.839","0.012","90","","4456.6","0.7","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorido[5-methoxy-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I) methanol disolvate","","- C46 H46 Cl Cu N2 O3 P2 S -","- C46 H46 Cl Cu N2 O3 P2 S -","- C184 H184 Cl4 Cu4 N8 O12 P8 S4 -","4","1","CV5442","Meng, Qing-Xuan","Chlorido[5-methoxy-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I) methanol disolvate","Acta Crystallographica Section E","2014","70","2","m60","","10.1107/S1600536814001251","","","0.71073","MoKα","","0.18","0.0857","","","0.1907","0.2171","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239025","18.108","0.002","5.104","0.001","5.08","0.001","90","","105.09","0.03","90","","453.32","0.15","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","<i>N</i>^1^,<i>N</i>^2^-Dimethylethane-1,2-diaminium dichloride","","- C4 H14 Cl2 N2 -","- C4 H14 Cl2 N2 -","- C8 H28 Cl4 N4 -","2","0.25","ZL2574","Merola, Joseph S.","<i>N</i>^1^,<i>N</i>^2^-Dimethylethane-1,2-diaminium dichloride","Acta Crystallographica Section E","2014","70","2","o216","","10.1107/S1600536814001627","","","0.71073","MoKα","","0.0305","0.026","","","0.068","0.0704","","","","","","1.139","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239026","11.0949","0.0003","12.3669","0.0004","14.2892","0.0004","94.399","0.003","110.888","0.001","102.695","0.002","1760.93","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","(5-Methylpyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)bis[2-(4-methylpyridin-2-yl-κ<i>N</i>)-3,5-bis(trifluoromethyl)phenyl-κ<i>C</i>^1^]iridium(III) chloroform hemisolvate","","- C34.5 H21.5 Cl1.5 F12 Ir N4 O2 -","- C34 H21 F12 Ir N4 O2 -","- C68 H42 F24 Ir2 N8 O4 -","2","1","TK5282","Kim, Young-Inn; Song, Young-Kwang; Kang, Sung Kwon","(5-Methylpyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)bis[2-(4-methylpyridin-2-yl-κ<i>N</i>)-3,5-bis(trifluoromethyl)phenyl-κ<i>C</i>^1^]iridium(III) chloroform hemisolvate","Acta Crystallographica Section E","2014","70","2","m34","","10.1107/S1600536813034727","","","0.71073","MoKα","","0.0277","0.025","","","","0.0642","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239027","4.4979","0.0002","8.3377","0.0004","13.3911","0.0006","90","","90","","90","","502.19","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Barium polyphosphate","Barium <i>catena</i>-polyphosphate","","- Ba O6 P2 -","- Ba O6 P2 -","- Ba4 O24 P8 -","4","1","PJ2008","Weil, Matthias","Redetermination of β-Ba(PO~3~)~2~","Acta Crystallographica Section E","2014","70","2","i7","","10.1107/S1600536814000361","","","0.71073","MoKα","","0.0202","0.0197","","","0.0471","0.0473","","","","","","1.132","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239028","15.0686","0.0016","24.327","0.003","3.8986","0.0004","90","","90","","90","","1429.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2-Methoxy-4,6-diphenylnicotinonitrile","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C76 H56 N8 O4 -","4","1","LH5683","Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Al-Swaidan, Ibrahim A.","2-Methoxy-4,6-diphenylnicotinonitrile","Acta Crystallographica Section E","2014","70","2","o228","","10.1107/S1600536814001755","","","0.71073","MoKα","","0.0481","0.0404","","","0.088","0.0933","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239029","5.1818","0.001","16.968","0.003","19.484","0.004","90","","90","","90","","1713.1","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3,4-Tri-<i>O</i>-acetyl-2-<i>N</i>-(trifluoroacetyl)-β-<i>L</i>-fucose","","- C14 H18 F3 N O8 -","- C14 H18 F3 N O8 -","- C56 H72 F12 N4 O32 -","4","1","BV2229","McCutcheon, David C.; Norris, Peter; Zeller, Matthias","1,3,4-Tri-<i>O</i>-acetyl-2-<i>N</i>-(trifluoroacetyl)-β-<small>L</small>-fucose","Acta Crystallographica Section E","2014","70","2","o134","o135","10.1107/S1600536813034958","","","0.71073","MoKα","","0.0418","0.0373","","","0.0853","0.0878","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239030","10.25082","0.00019","6.13117","0.00009","10.9209","0.0002","90","","100.873","0.0018","90","","674.05","0.02","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-aminocyclobutane carboxylic acid monohydrate","1-Azaniumylcyclobutane-1-carboxylate monohydrate","","- C5 H11 N O3 -","- C5 H11 N O3 -","- C20 H44 N4 O12 -","4","1","","Butcher, Ray J.; Brewer, Greg; Burton, Aaron S.; Dworkin, Jason P.","1-Azaniumylcyclobutane-1-carboxylate monohydrate","Acta Crystallographica Section E","2014","70","2","o217","o218","10.1107/S1600536813033217","","","1.54184","CuKα","","0.0388","0.0382","","","0.1021","0.1028","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239031","17.056","0.002","11.7514","0.0016","11.8962","0.0016","90","","92.984","0.002","90","","2381.1","0.5","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Triaqua[1,1'-(propane-1,3-diyl)bis(pyridin-1-ium-4-carboxylato)-κ<i>O</i>]bis(thiocyanato-κ<i>N</i>)manganese(II) dihydrate","","- C17 H24 Mn N4 O9 S2 -","- C17 H24 Mn N4 O9 S2 -","- C68 H96 Mn4 N16 O36 S8 -","4","1","","Tan, Qing-Hua; Wang, Yan-Qin","<i>cis</i>-Triaqua[1,1'-(propane-1,3-diyl)bis(pyridin-1-ium-4-carboxylato)-κ<i>O</i>]bis(thiocyanato-κ<i>N</i>)manganese(II) dihydrate","Acta Crystallographica Section E","2014","70","2","m42","","10.1107/S1600536814000701","","","0.71073","MoKα","","0.0845","0.0452","","","0.0875","0.1041","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239032","7.332","0.003","7.582","0.002","12.487","0.004","73.424","0.012","85.877","0.012","83.029","0.011","659.9","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","7-Methoxy-2-phenylquinoline-3-carbaldehyde","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C34 H26 N2 O4 -","2","1","HG5376","Hayour, Hasna; Bouraiou, Abdelmalek; Bouacida, Sofiane; Benzerka, Saida; Belfaitah, Ali","7-Methoxy-2-phenylquinoline-3-carbaldehyde","Acta Crystallographica Section E","2014","70","2","o195","o196","10.1107/S1600536814001457","","","0.71073","MoKα","","0.0618","0.0482","","","0.1268","0.1383","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239033","14.1838","0.0007","7.5493","0.0004","18.4619","0.0012","90","","107.837","0.002","90","","1881.83","0.18","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-({[(Pyridine-2,6-diyl)bis(methylene)]bis(oxy)}bis(methylene))dibenzonitrile","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C92 H76 N12 O8 -","4","0.5","HG5373","Yamin, Bohari M.; Kamalulazmy, Nurul A.; Hassan, Nurul I.","4,4'-({[(Pyridine-2,6-diyl)bis(methylene)]bis(oxy)}bis(methylene))dibenzonitrile","Acta Crystallographica Section E","2014","70","2","o132","","10.1107/S1600536814000245","","","0.71073","MoKα","","0.0494","0.0387","","","0.0981","0.1061","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239034","13.745","0.003","8.24","0.002","12.151","0.003","90","","100.079","0.006","90","","1355","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Diphenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one","","- C16 H15 N O S -","- C16 H15 N O S -","- C64 H60 N4 O4 S4 -","4","1","FY2109","Yennawar, Hemant P.; Silverberg, Lee J.","2,3-Diphenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one","Acta Crystallographica Section E","2014","70","2","o133","","10.1107/S1600536814000324","","","0.71073","MoKα","","0.0831","0.0608","","","0.1299","0.1396","","","","","","1.127","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239035","6.886","0.0008","7.256","0.0009","7.3786","0.0009","91.06","0.006","110.933","0.009","105.661","0.009","328.84","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Lithium/sodium iron(III) bis[orthomolybdate(VI)]","","- Fe Li0.37 Mo2 Na0.63 O8 -","- Fe Li0.369 Mo2 Na0.631 O8 -","- Fe2 Li0.738 Mo4 Na1.262 O16 -","2","1","VN2079","Souilem, Amira; Zid, Mohamed Faouzi; Driss, Ahmed","β-Li~0.37~Na~0.63~Fe(MoO~4~)~2~","Acta Crystallographica Section E","2014","70","2","i9","i10","10.1107/S1600536814000646","","","0.71073","MoKα","","0.0204","0.0195","","","0.051","0.0514","","","","","","1.187","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239036","8.6289","0.0005","11.9346","0.0007","12.7785","0.0007","66.099","0.004","83.536","0.004","77.572","0.004","1174.45","0.12","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","μ-1,6,7,12-Tetraazaperylene-κ^4^<i>N</i>^1^,<i>N</i>^12^:<i>N</i>^6^,<i>N</i>^7^-bis[chlorido(η^6^-<i>p</i>-cymene)ruthenium(II)] bis(hexafluoridophosphate) acetone disolvate","","- C42 H48 Cl2 F12 N4 O2 P2 Ru2 -","- C42 H48 Cl2 F12 N4 O2 P2 Ru2 -","- C42 H48 Cl2 F12 N4 O2 P2 Ru2 -","1","0.5","TK5277","Brietzke, Thomas; Kässler, Daniel; Kelling, Alexandra; Schilde, Uwe; Holdt, Hans-Jürgen","μ-1,6,7,12-Tetraazaperylene-κ^4^<i>N</i>^1^,<i>N</i>^12^:<i>N</i>^6^,<i>N</i>^7^-bis[chlorido(η^6^-<i>p</i>-cymene)ruthenium(II)] bis(hexafluoridophosphate) acetone disolvate","Acta Crystallographica Section E","2014","70","2","m39","m40","10.1107/S160053681400035X","","","0.71073","MoKα","","0.0302","0.0295","","","0.0795","0.0801","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239037","6.7132","0.0004","15.9369","0.001","6.8022","0.0004","90","","91.192","0.002","90","","727.59","0.08","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-{[2-(2-Hydroxy-5-methoxybenzylidene)hydrazin-1-ylidene]methyl}-4-methoxyphenol","2,2'-[Hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)]bis(4-methoxyphenol)","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","0.5","RZ5090","Taha, Muhammad; Shah, Syed Adnan Ali; Sultan, Sadia; Ismail, Nor Hadiani; Yousuf, Sammer","2-{[2-(2-Hydroxy-5-methoxybenzylidene)hydrazin-1-ylidene]methyl}-4-methoxyphenol","Acta Crystallographica Section E","2014","70","2","o131","","10.1107/S1600536813034636","","","0.71073","MoKα","","0.0418","0.0344","","","0.0935","0.1011","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239038","7.0051","0.0003","8.6342","0.0002","12.7131","0.0003","90","","90","","90","","768.93","0.04","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Cytosinium hydrogen selenite","6-Amino-2-methylidene-2,3-dihydropyrimidin-1-ium hydrogen selenite","","- C4 H7 N3 O4 Se -","- C4 H7 N3 O4 Se -","- C16 H28 N12 O16 Se4 -","4","1","","Takouachet, Radhwane; Benali-Cherif, Rim; Benali-Cherif, Nourredine","Cytosinium hydrogen selenite","Acta Crystallographica Section E","2014","70","2","o186","o187","10.1107/S1600536814001275","","","0.71073","MoKα","","0.0513","0.0416","","","0.0929","0.0977","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239039","9.696","0.005","6.606","0.005","13.385","0.005","90","","110.249","0.005","90","","804.3","0.8","293","2","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","1-[(<i>E</i>)-2-(5-<i>tert</i>-Butyl-2-hydroxyphenyl)diazen-1-yl]naphthalen-2-ol","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","0.5","XU5764","Bougueria, Hassiba; Mili, Assia; Benosmane, Ali; el kader Bouchoul, Abd; Bouaoud, Salaheddine","1-[(<i>E</i>)-2-(5-<i>tert</i>-Butyl-2-hydroxyphenyl)diazen-1-yl]naphthalen-2-ol","Acta Crystallographica Section E","2014","70","2","o225","","10.1107/S1600536814001731","","","0.71073","MoKα","","0.0822","0.0477","","","0.1212","0.1437","","","","","","0.894","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239040","11.281","0.002","14.005","0.004","20.124","0.003","90","","95.97","0.01","90","","3162.2","1.2","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-[(Dimethylamino)methylidene]-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C144 H136 N24 O8 -","8","2","","Loughzail, Mohamed; Baouid, Abdesselam; Fernandes, José A.; Driss, Mohamed; Soumhi, El Hassane","(<i>E</i>)-3-[(Dimethylamino)methylidene]-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2014","70","2","o126","","10.1107/S1600536813034739","","","0.71073","MoKα","","0.1227","0.0515","","","0.128","0.1582","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239041","13.4405","0.0003","16.9172","0.0003","7.6841","0.0002","90","","96.084","0.001","90","","1737.34","0.07","100","","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Methoxy-<i>N</i>'-(2,4,5-trimethoxybenzylidene)benzohydrazide hemihydrate","","- C18 H21 N2 O5.5 -","- C18 H21 N2 O5.5 -","- C72 H84 N8 O22 -","4","1","LH5678","Chantrapromma, Suchada; Boonnak, Nawong; Horkaew, Jirapa; Quah, Ching Kheng; Fun, Hoong-Kun","(<i>E</i>)-4-Methoxy-<i>N</i>'-(2,4,5-trimethoxybenzylidene)benzohydrazide hemihydrate","Acta Crystallographica Section E","2014","70","2","o150","o151","10.1107/S1600536814000531","","","0.71073","MoKα","","0.1035","0.0591","","","0.1192","0.1378","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239042","9.3599","0.0012","15.1128","0.0019","10.477","0.0013","90","","92.181","0.002","90","","1480.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Ethyl-3-methyl-1<i>H</i>-imidazol-3-ium spiropentaborate","1-Ethyl-3-methyl-1<i>H</i>-imidazolium 4,8,10-tetrahydroxyspiro[5.5]pentaboroxan-6-uide","","- C6 H15 B5 N2 O10 -","- C6 H15 B5 N2 O10 -","- C24 H60 B20 N8 O40 -","4","1","LD2114","Parker, T. Gannon; Pubbi, Divya; Beehler, Austin; Albrecht-Schmitt, Thomas E.","1-Ethyl-3-methyl-1<i>H</i>-imidazol-3-ium spiropentaborate","Acta Crystallographica Section E","2014","70","2","o171","o172","10.1107/S1600536813034363","","","0.71073","MoKα","","0.0411","0.0329","","","0.0825","0.0877","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239043","12.1749","0.0012","13.4571","0.0013","15.0439","0.0015","107.45","0.002","94.8","0.002","90.987","0.002","2340.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(1-Methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(1-methyl-2-nitrosobenzene-κ<i>N</i>)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)iron(II) dichloromethane monosolvate","","- C56 H43 Cl2 Fe N7 O -","- C55 H41 Fe N7 O -","- C110 H82 Fe2 N14 O2 -","2","1","","Abucayon, Erwin G.; Awasabisah, Dennis; Powell, Douglas R.; Richter-Addo, George B.","(1-Methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(1-methyl-2-nitrosobenzene-κ<i>N</i>)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)iron(II) dichloromethane monosolvate","Acta Crystallographica Section E","2014","70","2","m51","m52","10.1107/S160053681400083X","","","0.71073","MoKα","","0.074","0.0564","","","0.1593","0.1726","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239044","7.4724","0.0004","14.3106","0.0007","16.1549","0.0007","90","","90","","90","","1727.52","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-(3,4,5-trimethoxybenzylidene)]hydrazine","1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-(3,4,5-trimethoxybenzylidene)]hydrazine","","- C16 H16 N4 O7 -","- C16 H16 N4 O7 -","- C64 H64 N16 O28 -","4","1","SJ5380","Chantrapromma, Suchada; Ruanwas, Pumsak; Boonnak, Nawong; Chidan Kumar, C. S.; Fun, Hoong-Kun","1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-(3,4,5-trimethoxybenzylidene)]hydrazine","Acta Crystallographica Section E","2014","70","2","o188","o189","10.1107/S1600536814001238","","","0.71073","MoKα","","0.0663","0.0476","","","0.0989","0.1072","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239045","8.7454","0.0007","15.2824","0.0011","16.9487","0.0013","90","","91.974","0.005","90","","2263.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1,3-Benzodioxol-5-yl)-1<i>H</i>-benzimidazole","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","2","XU5756","Ghichi, Nadir; Benaouida, Mohamed Amine; Benosmane, Ali; Benboudiaf, Ali; Merazig, Hocine","2-(1,3-Benzodioxol-5-yl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2014","70","2","o157","","10.1107/S1600536814000737","","","0.71073","MoKα","","0.0417","0.034","","","0.083","0.088","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239046","22.6016","0.0005","7.4947","0.0002","11.9196","0.0003","90","","99.673","0.004","90","","1990.38","0.09","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[aquabis(4-formylbenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)cadmium]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']","","- C20 H16 Cd N2 O7 -","- C20 H16 Cd N2 O7 -","- C80 H64 Cd4 N8 O28 -","4","1","SU2679","Çelik, Fatih; Dilek, Nefise; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","<i>catena</i>-Poly[[aquabis(4-formylbenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)cadmium]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2014","70","2","m37","m38","10.1107/S1600536813035010","","","0.71073","MoKα","","0.0595","0.0585","","","0.1439","0.1443","","","","","","1.345","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239047","8.458","0.0013","34.92","0.006","10.8333","0.0017","90","","97.226","0.007","90","","3174.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(3-Chloro-1-methyl-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide","","- C15 H14 Cl N3 O2 S -","- C15 H14 Cl N3 O2 S -","- C120 H112 Cl8 N24 O16 S8 -","8","2","RZ5102","Chicha, Hakima; Rakib, El Mostapha; Amiri, Ouafa; Saadi, Mohamed; El Ammari, Lahcen","<i>N</i>-(3-Chloro-1-methyl-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","2","o181","","10.1107/S1600536814001184","","","0.71073","MoKα","","0.0669","0.0482","","","0.1254","0.1369","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239048","7.631","0.004","10.878","0.007","8.35","0.003","90","","105.6","0.02","90","","667.6","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-Ethyl-2,2-dimethyl-<i>N</i>-(3-methylphenyl)propanamide","","- C14 H21 N O -","- C14 H21 N O -","- C28 H42 N2 O2 -","2","1","HG5371","Palakshamurthy, B. S.; Suchetan, P. A.; Sreenivasa, S.; Lokanath, N. K.; Madhu Chakrapani Rao, T.","<i>N</i>-Ethyl-2,2-dimethyl-<i>N</i>-(3-methylphenyl)propanamide","Acta Crystallographica Section E","2014","70","2","o223","","10.1107/S1600536814001718","","","1.54178","CuKα","","0.0605","0.0571","","","0.1548","0.16","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239049","13.283","0.002","5.3661","0.001","23.281","0.004","90","","96.633","0.01","90","","1648.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C18 H16 N4 O S -","- C18 H16 N4 O S -","- C72 H64 N16 O4 S4 -","4","1","TK5287","Sebbar, Nada Kheira; Zerzouf, Abdelfettah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","4-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2014","70","2","o160","o161","10.1107/S1600536814000786","","","0.71073","MoKα","","0.0664","0.0459","","","0.1334","0.1492","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239050","6.0293","0.0004","7.8506","0.0003","13.1163","0.0009","88.592","0.004","77.02","0.005","77.68","0.004","590.87","0.06","123.3","","123","","","","","","","","","3","P -1","-P 1","2","3,4-dimethyl phenyl benzoate","3,4-Dimethylphenyl benzoate","","- C15 H14 O2 -","- C15 H14 O2 -","- C30 H28 O4 -","2","1","TK5288","Moreno-Fuquen, Rodolfo; Rendón, Mauricio; Kennedy, Alan R.","3,4-Dimethylphenyl benzoate","Acta Crystallographica Section E","2014","70","2","o194","","10.1107/S1600536814001299","","","0.71073","MoKα","","0.0695","0.048","","","0.101","0.1118","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239051","8.0573","0.0003","9.0358","0.0004","14.24","0.0006","74.137","0.003","87.831","0.003","73.32","0.002","954.36","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl (4-{[(diethylcarbamothioyl)sulfanyl]methyl}-2-oxo-2<i>H</i>-chromen-7-yl)carbamate","","- C18 H22 N2 O4 S2 -","- C18 H22 N2 O4 S2 -","- C36 H44 N4 O8 S4 -","2","1","BT6958","Roopashree, K. R.; Kumar, K. Mahesh; Anitha, B. R.; Ravi, A. J.; Devarajegowda, H. C.","Ethyl (4-{[(diethylcarbamothioyl)sulfanyl]methyl}-2-oxo-2<i>H</i>-chromen-7-yl)carbamate","Acta Crystallographica Section E","2014","70","2","o219","o220","10.1107/S1600536814001706","","","0.71073","MoKα","","0.0422","0.035","","","0.0955","0.1006","","","","","","0.953","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239052","6.8068","0.0003","21.0244","0.0009","9.0699","0.0004","90","","105.077","0.001","90","","1253.3","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Nitro-2-phenylimidazo[2,1-<i>b</i>][1,3]benzothiazole","","- C15 H9 N3 O2 S -","- C15 H9 N3 O2 S -","- C60 H36 N12 O8 S4 -","4","1","RK2421","Bunev, Alexander S.; Sukhonosova, Elena V.; Statsyuk, Vladimir E.; Ostapenko, Gennady I.; Khrustalev, Victor N.","7-Nitro-2-phenylimidazo[2,1-<i>b</i>][1,3]benzothiazole","Acta Crystallographica Section E","2014","70","2","o143","o144","10.1107/S1600536814000476","","","0.71073","MoKα","","0.054","0.0412","","","0.102","0.1104","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239053","17.932","0.0007","11.112","0.0004","18.5968","0.0007","90","","90","","90","","3705.6","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(4<i>S</i>)-5'-Chloro-3,7,7-trimethyl-5,6,7,8-tetrahydro-4<i>H</i>-spiro[1,2-oxazolo[5,4-<i>b</i>]quinoline-4,3'-indole]-2',5-dione","","- C20 H18 Cl N3 O3 -","- C20 H18 Cl N3 O3 -","- C160 H144 Cl8 N24 O24 -","8","1","CV5438","Govindan, E.; Yuvaraj, PanneerSelvam; Reddy, Boreddy Siva Rami; Premalatha, K.; SubbiahPandi, A.","(4<i>S</i>)-5'-Chloro-3,7,7-trimethyl-5,6,7,8-tetrahydro-4<i>H</i>-spiro[1,2-oxazolo[5,4-<i>b</i>]quinoline-4,3'-indole]-2',5-dione","Acta Crystallographica Section E","2014","70","2","o173","","10.1107/S1600536814000191","","","0.71073","MoKα","","0.097","0.0437","","","0.1024","0.1335","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239054","10.3893","0.0008","15.1803","0.0012","7.5789","0.0006","90","","99.63","0.001","90","","1178.45","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 5-acetyl-1-hydroxy-4-methyl-1<i>H</i>-pyrrole-2,3-dicarboxylate","","- C11 H13 N O6 -","- C11 H13 N O6 -","- C44 H52 N4 O24 -","4","1","LD2115","Rosen, Gerald M.; Muralidharan, Sukumaran; Zavalij, Peter Y.; Kao, Joseph P. Y.","Dimethyl 5-acetyl-1-hydroxy-4-methyl-1<i>H</i>-pyrrole-2,3-dicarboxylate, an oxidation-resistant <i>N</i>-hydroxypyrrole","Acta Crystallographica Section E","2014","70","2","o110","o111","10.1107/S1600536813034466","","","0.71073","MoKα","","0.0368","0.0305","","","0.0638","0.0643","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239055","18.525","0.003","6.7872","0.0009","14.564","0.003","90","","108.9","0.018","90","","1732.4","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5-Aminopyrazol-2-ium hydrogen succinate","5-Amino-1<i>H</i>-pyrazol-2-ium 3-carboxypropanoate","","- C7 H11 N3 O4 -","- C7 H11 N3 O4 -","- C56 H88 N24 O32 -","8","1","TK5290","Yamuna, Thammarse S.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H. S.","5-Amino-1<i>H</i>-pyrazol-2-ium hydrogen succinate","Acta Crystallographica Section E","2014","70","2","o221","o222","10.1107/S1600536814001615","","","0.71073","MoKα","","0.1043","0.0706","","","0.1775","0.2119","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239056","12.3149","0.0006","14.8415","0.0007","15.8795","0.0008","69.725","0.001","89.368","0.001","73.433","0.001","2597","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","2,2'-Bi(9,9-diethylfluorene)","9,9,9',9'-Tetraethyl-2,2'-bi(9<i>H</i>-fluorene)","","- C34 H34 -","- C34 H34 -","- C136 H136 -","4","2","SJ5384","Park, Ki-Min; Oh, Hankook; Kang, Youngjin","2,2'-Bi(9,9-diethylfluorene)","Acta Crystallographica Section E","2014","70","2","o185","","10.1107/S1600536814001378","","","0.71073","MoKα","","0.0846","0.0585","","","0.1195","0.135","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239057","14.6046","0.0005","10.8008","0.0003","16.3151","0.0006","90","","107.39","0.004","90","","2455.93","0.15","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate","","- C24 H20 Cl4 N4 O Zn -","- C24 H20 Cl4 N4 O Zn -","- C96 H80 Cl16 N16 O4 Zn4 -","4","1","SU2681","Govindan, E.; Thirumurugan, Subramani; Ganeshraja, Ayyakannu Sundaram; Anbalagan, Krishnamoorthy; SubbiahPandi, A.","Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate","Acta Crystallographica Section E","2014","70","2","m53","","10.1107/S1600536814000208","","","0.71073","MoKα","","0.0456","0.0305","","","0.0624","0.0679","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239058","6.3037","0.0003","9.6995","0.0005","18.6675","0.0009","75.28","0.004","86.842","0.004","84.404","0.004","1098.11","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","N-Tris-2-phenylaziridine","<i>rac</i>-2-Phenyl-1-[(2,4,6-triisopropylbenzene)sulfonyl]aziridine","","- C23 H31 N O2 S -","- C23 H31 N O2 S -","- C46 H62 N2 O4 S2 -","2","1","FK2077","Golz, Christopher; Preut, Hans; Strohmann, Carsten","<i>rac</i>-2-Phenyl-1-[(2,4,6-triisopropylbenzene)sulfonyl]aziridine","Acta Crystallographica Section E","2014","70","2","o153","","10.1107/S1600536814000257","","","0.71073","MoKα","","0.0518","0.0417","","","0.1007","0.1072","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239059","8.1362","0.0009","8.2254","0.0009","12.4471","0.0011","98.105","0.008","92.297","0.008","116.821","0.011","730.88","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-<i>N</i>-propionylpropionamide","","- C16 H14 Cl N O4 -","- C16 H14 Cl N O4 -","- C32 H28 Cl2 N2 O8 -","2","1","","Idris, Nabil; Butcher, Ray J.; Bakare, Oladapo","<i>N</i>-(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-<i>N</i>-propionylpropionamide","Acta Crystallographica Section E","2014","70","2","o102","","10.1107/S1600536813034302","","","1.54178","CuKα","","0.0521","0.0422","","","0.107","0.1151","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239060","7.128","0.003","8.304","0.004","15.162","0.007","90","","96.528","0.005","90","","891.6","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-<i>N</i>-[(<i>Z</i>)-3-(2,5-Dimethylphenylimino)butan-2-ylidene]-2,5-dimethylaniline","","- C20 H24 N2 -","- C20 H24 N2 -","- C40 H48 N4 -","2","0.5","CV5439","Lv, Wen-Xian; Li, Jian; Hu, Yu-Lai; Su, Ying-Peng; Huang, Dan-Feng","(<i>Z</i>)-<i>N</i>-[(<i>Z</i>)-3-(2,5-Dimethylphenylimino)butan-2-ylidene]-2,5-dimethylaniline","Acta Crystallographica Section E","2014","70","2","o175","","10.1107/S1600536814001020","","","0.71073","MoKα","","0.0782","0.0511","","","0.1513","0.1749","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239061","6.1997","0.0007","12.9145","0.0015","16.591","0.0019","90","","90","","90","","1328.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(4-Hydroxyanilino)methylidene]naphthalen-2(1<i>H</i>)-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","HB7165","Chahmana, Safia; Benghanem, Fatiha; Keraghel, Saida; Ourari, Ali","1-[(4-Hydroxyanilino)methylidene]naphthalen-2(1<i>H</i>)-one","Acta Crystallographica Section E","2014","70","2","o107","","10.1107/S160053681303451X","","","0.71073","MoKα","","0.0497","0.0364","","","0.0919","0.0992","","","","","","1.106","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239062","9.0371","0.0008","12.0642","0.001","12.8369","0.0011","93.066","0.001","105.869","0.001","111.574","0.001","1233.2","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-Acetyl-5-methoxy-4-(phenylsulfanyl)imidazolidin-2-one","","- C12 H14 N2 O3 S -","- C12 H14 N2 O3 S -","- C48 H56 N8 O12 S4 -","4","2","SU2683","Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Alanazi, Amer M.","1-Acetyl-5-methoxy-4-(phenylsulfanyl)imidazolidin-2-one","Acta Crystallographica Section E","2014","70","2","o145","o146","10.1107/S1600536814000117","","","0.71073","MoKα","","0.0395","0.0343","","","0.0898","0.0945","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239063","21.977","0.003","12.2295","0.001","10.2217","0.0009","90","","93.49","0.009","90","","2742.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2-(3,4-Dimethoxyphenyl)ethyl](3-{<i>N</i>-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}propyl)azanium chloride dihydrate","","- C24 H39 Cl N2 O7 -","- C24 H39 Cl N2 O7 -","- C96 H156 Cl4 N8 O28 -","4","1","","Saidov, Abdusalom Sh.; Turgunov, Kambarali K.","[2-(3,4-Dimethoxyphenyl)ethyl](3-{<i>N</i>-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}propyl)azanium chloride dihydrate","Acta Crystallographica Section E","2014","70","2","o232","","10.1107/S1600536814001998","","","1.54184","CuKα","","0.0854","0.0463","","","0.1124","0.1314","","","","","","0.973","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239064","10.1324","0.0002","9.6887","0.0003","10.5399","0.0002","90","","106.537","0.002","90","","991.9","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,6-Dichloro-9-(2',3',5'-tri-<i>O</i>-acetyl-β-<i>D</i>-ribofuranosyl)-9<i>H</i>-purine","","- C16 H16 Cl2 N4 O7 -","- C16 H16 Cl2 N4 O7 -","- C32 H32 Cl4 N8 O14 -","2","1","LD2116","Novosjolova, Irina; Stepanovs, Dmitrijs; Bizdēna, Ērika; Mishnev, Anatoly; Turks, Māris","2,6-Dichloro-9-(2',3',5'-tri-<i>O</i>-acetyl-β-<small>D</small>-ribofuranosyl)-9<i>H</i>-purine","Acta Crystallographica Section E","2014","70","2","o108","o109","10.1107/S1600536813034521","","","0.71073","MoKα","","0.0754","0.0461","","","0.0942","0.107","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239065","5.2602","0.0004","7.157","0.0006","9.0126","0.001","84.533","0.008","83.4","0.008","78.679","0.007","329.57","0.05","293","2","293","2","","","","","","","","6","P 1","P 1","1","","(2<i>R</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-5-(4-Amino-5-iodo-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol","","- C11 H12 F I N4 O3 -","- C11 H12 F I N4 O3 -","- C11 H12 F I N4 O3 -","1","1","KP2461","Li, Wei; Yang, Ruchun; Xiao, Qiang","(2<i>R</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-5-(4-Amino-5-iodo-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol","Acta Crystallographica Section E","2014","70","2","o120","","10.1107/S1600536813034995","","","0.71073","MoKα","","0.0345","0.0345","","","0.1012","0.1012","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239066","11.8356","0.0003","10.304","0.0002","13.3999","0.0003","90","","119.85","0.002","90","","1417.37","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Propyl-6-(<i>p</i>-tolylsulfanyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C56 H64 N8 O8 S4 -","4","1","SJ5382","Al-Omary, Fatmah A. M.; Ghabbour, Hazem A.; El-Emam, Ali A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","5-Propyl-6-(<i>p</i>-tolylsulfanyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2014","70","2","o179","o180","10.1107/S1600536814000749","","","1.54178","CuKα","","0.0462","0.0436","","","0.1233","0.1259","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239067","24.386","0.005","10.784","0.002","15.139","0.003","90","","118.59","0.03","90","","3495.8","1.6","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bis[3-methyl-5-(pyridin-2-yl)-1<i>H</i>-pyrazol-4-yl] selenide methanol hemisolvate","","- C18.5 H18 N6 O0.5 Se -","- C18.5 H18 N6 O0.5 Se -","- C148 H144 N48 O4 Se8 -","8","2","","Seredyuk, Maksym; Sharkina, Natalia O.; Gumienna-Kontecka, Elzbieta; Kapshuk, Anatoly A.","Bis[3-methyl-5-(pyridin-2-yl)-1<i>H</i>-pyrazol-4-yl] selenide methanol hemisolvate","Acta Crystallographica Section E","2014","70","2","o127","o128","10.1107/S1600536813034624","","","0.71073","MoKα","","0.0388","0.0324","","","0.0749","0.0777","","","","","","0.971","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2239068","7.0229","0.0003","8.6148","0.0003","21.5662","0.0015","90","","90.029","0.006","90","","1304.77","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2-Amino-4-nitrophenyl)-7-nitro-4<i>H</i>-3,1-benzoxazin-4-one","","- C14 H8 N4 O6 -","- C14 H8 N4 O6 -","- C56 H32 N16 O24 -","4","1","","Tiekink, Edward R. T.; Wardell, James L.","2-(2-Amino-4-nitrophenyl)-7-nitro-4<i>H</i>-3,1-benzoxazin-4-one","Acta Crystallographica Section E","2014","70","2","o158","o159","10.1107/S1600536814000609","","","0.71073","MoKα","","0.0396","0.0339","","","0.0984","0.1011","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239069","7.1565","0.0006","9.3521","0.0008","9.8747","0.0009","85.722","0.004","81.422","0.004","86.941","0.004","651.09","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 6-(4-cyclopropyl-1<i>H</i>-1,2,3-triazol-1-yl)pyridine-3-carboxylate","","- C13 H14 N4 O2 -","- C13 H14 N4 O2 -","- C26 H28 N8 O4 -","2","1","HB7179","Ahmed, Muhammad Naeem; Yasin, Khawaja Ansar; Tahir, M. Nawaz; Bibi, Asma; Andleeb, Hina","Ethyl 6-(4-cyclopropyl-1<i>H</i>-1,2,3-triazol-1-yl)pyridine-3-carboxylate","Acta Crystallographica Section E","2014","70","2","o136","","10.1107/S1600536813034673","","","0.71073","MoKα","","0.069","0.046","","","0.1176","0.1369","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239070","13.2008","0.0014","13.2008","0.0014","26.695","0.003","90","","90","","120","","4028.7","0.8","200","2","200","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","1,3,5-Tris(4-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione","","- C24 H21 N3 O6 -","- C24 H21 N3 O6 -","- C144 H126 N18 O36 -","6","0.333333","","Fang, Li; Li, Feifei; Luo, Xuemei","1,3,5-Tris(4-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione","Acta Crystallographica Section E","2014","70","2","o118","","10.1107/S160053681303482X","","","0.71073","MoKα","","0.0601","0.0439","","","0.1145","0.1219","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239071","4.268","0.0008","17.214","0.003","8.9685","0.0017","90","","100.089","0.003","90","","648.7","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-dimethylcyanamide-κ<i>N</i>)lithium]-μ~3~-bromido]","","- C3 H6 Br Li N2 -","- C3 H6 Br Li N2 -","- C12 H24 Br4 Li4 N8 -","4","1","SJ5383","Xie, Qianwen; Tong, Hongbo; Zhou, Meisu","<i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-dimethylcyanamide-κ<i>N</i>)lithium]-μ~3~-bromido]","Acta Crystallographica Section E","2014","70","2","m69","m70","10.1107/S1600536814001652","","","0.71073","MoKα","","0.0326","0.0247","","","0.0582","0.0612","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239072","6.8187","0.0003","11.3345","0.0004","11.3727","0.0005","87.846","0.003","89.747","0.004","80.524","0.003","866.35","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Nonapotassium triyttrium dodecasilicate difluoride","","- F2 K9 O32 Si12 Y3 -","- F2 K9 O32 Si12 Y3 -","- F2 K9 O32 Si12 Y3 -","1","0.5","WM2792","Kahlenberg, Volker; Manninger, Tanja","K~9~Y~3~[Si~12~O~32~]F~2~","Acta Crystallographica Section E","2014","70","2","i11","","10.1107/S1600536814001470","","","0.71073","MoKα","","0.0539","0.0392","","","0.0957","0.0993","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239073","20.5587","0.0014","20.5587","0.0014","18.01","0.002","90","","90","","90","","7612.1","1.1","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II)","","- C44 H48 Cu4 N8 O24 -","- C44 H48 Cu4 N8 O24 -","- C176 H192 Cu16 N32 O96 -","4","0.25","","Chygorin, Eduard N.; Smal, Yuri O.; Kokozay, Vladimir N.; Omelchenko, Irina V.","Tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II)","Acta Crystallographica Section E","2014","70","2","m54","m55","10.1107/S1600536814000798","","","0.71073","MoKα","","0.1551","0.0752","","","0.1563","0.1844","","","","","","0.801","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239074","9.8241","0.0018","11.6975","0.0019","21.881","0.004","90","","111.144","0.008","90","","2345.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-<i>trans</i>-6,6'-Diethoxy-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenol monohydrate","","- C24 H32 N2 O5 -","- C24 H32 N2 O5 -","- C96 H128 N8 O20 -","4","1","FJ2654","Mohan, Nithya; Sreejith, S. S.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","(±)-<i>trans</i>-6,6'-Diethoxy-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenol monohydrate","Acta Crystallographica Section E","2014","70","2","o182","o183","10.1107/S1600536814000713","","","0.71073","MoKα","","0.1503","0.0683","","","0.1504","0.1904","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239075","7.8608","0.0006","5.6985","0.0007","38.817","0.003","90","","98.733","0.006","90","","1718.6","0.3","200","1","200","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","caesium cinnamate cinnamic acid","Poly[μ~5~-{hydrogen bis[(<i>E</i>)-cinnamato]}-caesium]","","- C18 H15 Cs O4 -","- C18 H15 Cs O4 -","- C72 H60 Cs4 O16 -","4","1","WM2798","Smith, Graham","Poly[μ~5~-{hydrogen bis[(<i>E</i>)-cinnamato]}-caesium]","Acta Crystallographica Section E","2014","70","2","m43","m44","10.1107/S1600536814000804","","","0.71073","MoKα","","0.0912","0.0708","","","0.1352","0.1435","","","","","","1.186","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239076","14.5293","0.0019","10.6225","0.0014","9.6918","0.0014","90","","92.695","0.005","90","","1494.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Chloro-<i>N</i>-(4-methoxybenzoyl)benzenesulfonamide","","- C14 H12 Cl N O4 S -","- C14 H12 Cl N O4 S -","- C56 H48 Cl4 N4 O16 S4 -","4","1","HB7189","Sreenivasa, S.; Palakshamurthy, B. S.; Pampa, K. J.; Lokanath, N. K.; Suchetan, P. A.","2-Chloro-<i>N</i>-(4-methoxybenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2014","70","2","o199","","10.1107/S1600536814001482","","","1.54178","CuKα","","0.0646","0.0629","","","0.1612","0.1626","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239077","9.2192","0.0015","9.4791","0.0013","15.162","0.003","76.894","0.009","89.133","0.01","63.11","0.006","1145.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","Bis(<i>n</i>-dodecylammonium) bis(chloranilato)diethanolcuprate(II)","","- C40 H68 Cl4 Cu N2 O10 -","- C40 H68 Cl4 Cu N2 O10 -","- C40 H68 Cl4 Cu N2 O10 -","1","0.5","","Himegi, Akiko; Kawata, Satoshi","Bis(<i>n</i>-dodecylammonium) bis(chloranilato)diethanolcuprate(II)","Acta Crystallographica Section E","2014","70","2","m63","m64","10.1107/S1600536814001202","","","0.71075","MoKα","","","0.0306","","","","0.0785","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239078","5.964","0.002","7.018","0.001","21.688","0.002","91.9","0.02","90.6","0.02","102.45","0.03","885.8","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","1,1,4,7,7-Pentamethyldiethylenetriammonium trinitrate","Bis[2-(dimethylazaniumyl)ethyl](methyl)azanium trinitrate","","- C9 H26 N6 O9 -","- C9 H26 N6 O9 -","- C18 H52 N12 O18 -","2","1","BH2492","Gatfaoui, Sofian; Rzaigui, Mohamed; Marouani, Houda","1,1,4,7,7-Pentamethyldiethylenetriammonium trinitrate","Acta Crystallographica Section E","2014","70","2","o198","","10.1107/S1600536814001469","","","0.56083","AgKα","","0.0982","0.0626","","","0.1629","0.1837","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239079","18.926","0.003","8.0486","0.0009","16.337","0.003","90","","90","","90","","2488.6","0.7","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>N</i>'-[(1<i>E</i>)-1-(2-Fluorophenyl)ethylidene]pyridine-3-carbohydrazide","","- C14 H12 F N3 O -","- C14 H12 F N3 O -","- C112 H96 F8 N24 O8 -","8","1","","Sreeja, P. B.; Sithambaresan, M.; Aiswarya, N.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(1<i>E</i>)-1-(2-Fluorophenyl)ethylidene]pyridine-3-carbohydrazide","Acta Crystallographica Section E","2014","70","2","o115","","10.1107/S1600536813035009","","","0.71073","MoKα","","0.0978","0.0508","","","0.1294","0.1608","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239080","10.916","0.0003","11.9027","0.0003","12.4848","0.0004","90","","111.602","0.001","90","","1508.21","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4<i>S</i>)-3-Methyl-5,6,7,8-tetrahydro-4<i>H</i>-spiro[[1,2]oxazolo[5,4-<i>b</i>]quinoline-4,3'-indole]-2',5-dione","","- C18 H15 N3 O3 -","- C18 H15 N3 O3 -","- C72 H60 N12 O12 -","4","1","SU2673","Govindan, E.; Yuvaraj, P. S.; Reddy, B. S. R.; Bangaru Sudarsan Alwar, S.; SubbiahPandi, A.","(4<i>S</i>)-3-Methyl-5,6,7,8-tetrahydro-4<i>H</i>-spiro[[1,2]oxazolo[5,4-<i>b</i>]quinoline-4,3'-indole]-2',5-dione","Acta Crystallographica Section E","2014","70","2","o168","","10.1107/S1600536814000130","","","0.71073","MoKα","","0.0566","0.0467","","","0.1266","0.1355","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239081","5.796","0.001","5.889","0.001","7.774","0.002","87.02","0.01","82.15","0.01","61.87","0.01","231.79","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Butane-1,4-diammonium hexafluorosilicate","","- C4 H14 F6 N2 Si -","- C4 H14 F6 N2 Si -","- C4 H14 F6 N2 Si -","1","0.5","IM2447","Ouasri, Ali; Rhandour, Ali; Saadi, Mohamed; El Ammari, Lahcen","Butane-1,4-diammonium hexafluorosilicate","Acta Crystallographica Section E","2014","70","2","o174","","10.1107/S1600536814001068","","","0.71073","MoKα","","0.0558","0.0383","","","0.1051","0.1077","","","","","","1.052","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239082","21.807","0.002","7.3521","0.0008","18.602","0.002","90","","101.211","0.003","90","","2925.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(4-Methoxybenzoyl)-2-methylbenzenesulfonamide","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C120 H120 N8 O32 S8 -","8","1","HB7188","Sreenivasa, S.; Palakshamurthy, B. S.; Madankumar, S.; Lokanath, N. K.; Suchetan, P. A.","<i>N</i>-(4-Methoxybenzoyl)-2-methylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","2","o193","","10.1107/S1600536814001354","","","1.54178","CuKα","","0.0715","0.0462","","","0.119","0.1217","","","","","","0.918","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239083","38.307","0.018","46.05","0.02","3.7832","0.0018","90","","90","","90","","6674","5","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Adenin-1-ium hydrogen isophthalate dimethylformamide monosolvate","","- C16 H18 N6 O5 -","- C16 H18 N6 O5 -","- C256 H288 N96 O80 -","16","1","","Koteswara Rao, Vandavasi; Siddiqui, Tausif; Zeller, Matthias; Lovelace-Cameron, Sherri R.","Adenin-1-ium hydrogen isophthalate dimethylformamide monosolvate","Acta Crystallographica Section E","2014","70","2","o166","o167","10.1107/S1600536813034971","","","0.71073","MoKα","","0.13","0.0877","","","0.2102","0.2328","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239084","9.8552","0.0005","13.3056","0.0008","15.6124","0.0008","68.987","0.005","84.74","0.004","73.093","0.005","1828.32","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Enrofloxacinium oxalate","Bis-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-1-ethylpiperazin-1-ium] oxalate","","- C40 H46 F2 N6 O10 -","- C40 H46 F2 N6 O10 -","- C80 H92 F4 N12 O20 -","2","1","HG5378","Yamuna, Thammarse S.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H. S.","Enrofloxacinium oxalate","Acta Crystallographica Section E","2014","70","2","o200","o201","10.1107/S1600536814001421","","","1.54184","CuKα","","0.064","0.0508","","","0.1336","0.1447","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239085","8.9368","0.0003","17.2369","0.0004","10.3805","0.0003","90","","114.216","0.004","90","","1458.33","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(6-Chloro-1-methyl-1<i>H</i>-imidazo[4,5-<i>c</i>]pyridin-4-yl)-3-(2-chlorophenyl)urea","","- C14 H11 Cl2 N5 O -","- C14 H11 Cl2 N5 O -","- C56 H44 Cl8 N20 O4 -","4","1","BT6956","Devaru, Venkatesh B.; Vinduvahini, M.; Madaiah, M.; Revanasiddappa, H. D.; Devarajegowda, H. C.","1-(6-Chloro-1-methyl-1<i>H</i>-imidazo[4,5-<i>c</i>]pyridin-4-yl)-3-(2-chlorophenyl)urea","Acta Crystallographica Section E","2014","70","2","o155","o156","10.1107/S1600536814000695","","","0.71073","MoKα","","0.0475","0.0392","","","0.1062","0.1116","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239086","5.6069","0.0009","7.7822","0.0013","22.864","0.004","81.101","0.005","85.571","0.005","69.879","0.004","925.2","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3-(4-Heptyloxyphenyl)-1-phenylprop-2-en-1-one","","- C22 H26 O2 -","- C22 H26 O2 -","- C44 H52 O4 -","2","1","","McKoy, Davia; Franks, Marion A.; Assefa, Zerihun","(<i>E</i>)-3-(4-Heptyloxyphenyl)-1-phenylprop-2-en-1-one","Acta Crystallographica Section E","2014","70","2","o163","o164","10.1107/S1600536813034429","","","0.71073","MoKα","","0.0704","0.051","","","0.1238","0.1517","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239087","8.6407","0.0004","9.1433","0.0003","11.0008","0.0005","107.742","0.002","104.898","0.002","102.372","0.002","758.45","0.06","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","5,5,7,12,12,14-Hexamethyl-1,8-bis(4-nitrobenzyl)-1,4,8,11-tetraazacyclotetradecane","","- C30 H46 N6 O4 -","- C30 H46 N6 O4 -","- C30 H46 N6 O4 -","1","0.5","","Gayathri, K.; Sathya, S.; Usha, G.; Ramanjaneya Reddy, G.; Balasubramanian, S.","5,5,7,12,12,14-Hexamethyl-1,8-bis(4-nitrobenzyl)-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section E","2014","70","1","o50","","10.1107/S1600536813031164","","","0.71073","MoKα","","0.0755","0.0506","","","0.1575","0.1848","","","","","","0.956","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239088","12.8122","0.001","13.9317","0.0012","19.7795","0.0014","90","","94.647","0.003","90","","3519","0.5","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-3-[(Dimethylamino)methylidene]-4-phenyl-1-(prop-2-ynyl)-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C168 H152 N24 O8 -","8","1","","Loughzail, Mohamed; Baouid, Abdesselam; Almeida Paz, Filipe A.; Cavaleiro, José A. S.; Soumhi, El Hassane","(<i>E</i>)-3-[(Dimethylamino)methylidene]-4-phenyl-1-(prop-2-ynyl)-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2014","70","1","o32","","10.1107/S1600536813032960","","","0.71073","MoKα","","0.0515","0.0378","","","0.0912","0.0989","","","","","","1.015","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2239089","23.6403","0.0006","7.5682","0.0002","8.0329","0.0003","90","","90","","90","","1437.2","0.08","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Dichlorido{8-[2-(dimethylamino)ethylamino]quinoline-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc","","- C13 H17 Cl2 N3 Zn -","- C13 H17 Cl2 N3 Zn -","- C52 H68 Cl8 N12 Zn4 -","4","1","","Al-Sudani, Abdul-Razak H.","Dichlorido{8-[2-(dimethylamino)ethylamino]quinoline-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc","Acta Crystallographica Section E","2014","70","1","m1","","10.1107/S1600536813029929","","","0.71073","MoKα","","0.0357","0.0301","","","0.0635","0.0661","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239090","3.9825","0.0001","11.1705","0.0004","27.4417","0.0009","90","","90","","90","","1220.79","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,6-Dichloro-9-(prop-2-yn-1-yl)-9<i>H</i>-carbazole","","- C15 H9 Cl2 N -","- C15 H9 Cl2 N -","- C60 H36 Cl8 N4 -","4","1","LH5674","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Mohamed, Asmaa H.; Albayati, Mustafa R.","3,6-Dichloro-9-(prop-2-yn-1-yl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2014","70","1","o27","","10.1107/S1600536813032777","","","1.54178","CuKα","","0.0276","0.0264","","","0.0674","0.0684","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239091","10.0344","0.0001","16.1485","0.0002","20.165","0.0003","90","","98.699","0.001","90","","3229.96","0.07","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{[5-(Pyridin-4-yl)-4-<i>p</i>-tolyl-4<i>H</i>-1,2,4-triazol-3-yl]methyl}acrylic acid hemihydrate","","- C18 H17 N4 O2.5 -","- C18 H17 N4 O2.5 -","- C144 H136 N32 O20 -","8","2","","Paprocka, Renata; Modzelewska-Banachiewicz, Bożena; Gzella, Andrzej K.","2-{[5-(Pyridin-4-yl)-4-<i>p</i>-tolyl-4<i>H</i>-1,2,4-triazol-3-yl]methyl}acrylic acid hemihydrate","Acta Crystallographica Section E","2014","70","1","o95","o96","10.1107/S1600536813034077","","","0.71073","MoKα","","0.0541","0.0442","","","0.1119","0.1189","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239092","7.6037","0.0002","16.8934","0.0004","8.6574","0.0003","90","","111.303","0.003","90","","1036.08","0.06","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Diaquabis(2-ethyl-5-methylimidazole-4-sulfonato-κ^2^<i>N</i>^3^,<i>O</i>)nickel(II) dihydrate","","- C12 H26 N4 Ni O10 S2 -","- C12 H26 N4 Ni O10 S2 -","- C24 H52 N8 Ni2 O20 S4 -","2","0.5","","Purdy, Andrew P.; Butcher, Ray J.","Diaquabis(2-ethyl-5-methylimidazole-4-sulfonato-κ^2^<i>N</i>^3^,<i>O</i>)nickel(II) dihydrate","Acta Crystallographica Section E","2014","70","1","m18","m19","10.1107/S1600536813032169","","","1.54178","CuKα","","0.048","0.0448","","","0.111","0.1123","","","","","","1.177","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239093","13.5839","0.0004","11.3764","0.0004","28.5382","0.0009","90","","95.12","0.002","90","","4392.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5<i>H</i>-10a,14-methanoindeno[2',1':4,5]azepino[3,4-<i>b</i>]pyrrolizine-5,15(7<i>H</i>,11<i>H</i>)-dione","","- C26 H25 Cl N2 O3 -","- C26 H25 Cl N2 O3 -","- C208 H200 Cl8 N16 O24 -","8","2","DS2236","Nagalakshmi, R.A.; Suresh, J.; Malathi, K.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5<i>H</i>-10a,14-methanoindeno[2',1':4,5]azepino[3,4-<i>b</i>]pyrrolizine-5,15(7<i>H</i>,11<i>H</i>)-dione","Acta Crystallographica Section E","2014","70","1","o97","o98","10.1107/S1600536813034107","","","0.71073","MoKα","","0.077","0.0461","","","0.1058","0.1232","","","","","","1.014","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239094","12.7162","0.0005","8.0719","0.0002","14.1156","0.0005","90","","110.877","0.004","90","","1353.76","0.09","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Formyl-2-nitrophenyl 3-nitro-2-methylbenzoate","","- C15 H10 N2 O7 -","- C15 H10 N2 O7 -","- C60 H40 N8 O28 -","4","1","NG5349","Moreno-Fuquen, Rodolfo; Hernández, Geraldine; Kennedy, Alan R.","4-Formyl-2-nitrophenyl 3-nitro-2-methylbenzoate","Acta Crystallographica Section E","2014","70","1","o17","","10.1107/S1600536813032583","","","0.71073","MoKα","","0.0531","0.0402","","","0.0883","0.0976","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239095","11.315","0.0009","15.629","0.002","19.419","0.002","90","","90","","90","","3434.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quinoxaline-indene","6a-Nitro-6-(2,2,7,7-tetramethyltetrahydro-3a<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl)-6a,6b,7,8,9,11a-hexahydro-6<i>H</i>-spiro[chromeno[3,4-<i>a</i>]pyrrolizine-11,11'-indeno[1,2-<i>b</i>]quinoxaline]","","- C39 H38 N4 O8 -","- C39 H38 N4 O8 -","- C156 H152 N16 O32 -","4","1","","Anuradha, T.; Naga Siva Rao, J.; Seshadri, P. R.; Raghunathan, R.","6a-Nitro-6-(2,2,7,7-tetramethyltetrahydro-3a<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl)-6a,6b,7,8,9,11a-hexahydro-6<i>H</i>-spiro[chromeno[3,4-<i>a</i>]pyrrolizine-11,11'-indeno[1,2-<i>b</i>]quinoxaline]","Acta Crystallographica Section E","2014","70","1","o38","o39","10.1107/S1600536813032467","","","0.71073","MoKα","","0.1124","0.0499","","","0.1015","0.1238","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239096","7.678","0.0001","15.4747","0.0003","10.725","0.0002","90","","104.333","0.002","90","","1234.62","0.04","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Hydroxyphenyl)-4-methylbenzenesulfonamide","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C52 H52 N4 O12 S4 -","4","1","HB7173","Mohamed, Shaaban K.; Akkurt, Mehmet; Kariuki, Benson M.; Ali, Ali M.; Albayati, Mustafa R.","<i>N</i>-(2-Hydroxyphenyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","1","o54","","10.1107/S1600536813033394","","","1.5418","CuKα","","0.0312","0.0296","","","0.0811","0.0824","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239097","6.4366","0.0003","9.8909","0.0005","34.3628","0.0015","90","","95.102","0.002","90","","2179","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[(<i>E</i>)-2-(4-Ethoxyphenyl)ethenyl]-1-methylquinolinium 4-fluorobenzenesulfonate","","- C26 H24 F N O4 S -","- C26 H24 F N O4 S -","- C104 H96 F4 N4 O16 S4 -","4","1","RZ5097","Fun, Hoong-Kun; Kobkeatthawin, Thawanrat; Ruanwas, Pumsak; Quah, Ching Kheng; Chantrapromma, Suchada","2-[(<i>E</i>)-2-(4-Ethoxyphenyl)ethenyl]-1-methylquinolinium 4-fluorobenzenesulfonate","Acta Crystallographica Section E","2014","70","1","o11","o12","10.1107/S1600536813032509","","","0.71073","MoKα","","0.0959","0.0649","","","0.1382","0.1538","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239098","7.8225","0.0016","13.579","0.003","13.78","0.003","63.004","0.003","87.157","0.004","83.377","0.004","1295.5","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","2,4,4'-Triethyl acetateoxy chalcone","Ethyl 2-[4-(2-{2,4-bis[(ethoxycarbonyl)methoxy]benzoyl}ethenyl)phenoxy]acetate","","- C27 H30 O10 -","- C27 H30 O10 -","- C54 H60 O20 -","2","1","","Liu, Xiaofeng","The chalcone ethyl 2-[4-(2-{2,4-bis[(ethoxycarbonyl)methoxy]benzoyl}ethenyl)phenoxy]acetate","Acta Crystallographica Section E","2014","70","1","o51","","10.1107/S1600536813033114","","","0.71073","MoKα","","0.0809","0.0754","","","0.173","0.1775","","","","","","1.196","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239099","12.763","0.0018","12.763","0.0018","6.368","0.0013","90","","90","","90","","1037.3","0.3","153","2","153","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Pentalanthanum zinc diplumbide","","- La5 Pb2.606 Zn0.394 -","- La5 Pb2.606 Zn0.394 -","- La20 Pb10.424 Zn1.576 -","4","0.125","","Oshchapovsky, Igor; Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Harbrecht, Bernd","Pentalanthanum zinc diplumbide, La~5~Zn~1{-~<i>x</i>}Pb~2+<i>x~</i> (<i>x</i> ≃0.6)","Acta Crystallographica Section E","2014","70","1","i2","i3","10.1107/S1600536813033618","","","0.71073","MoKα","","0.0238","0.0238","","","0.0578","0.0578","","","","","","1.25","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239100","29.6079","0.001","30.5302","0.001","8.5175","0.0003","90","","90","","90","","7699.3","0.5","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Bis(hydroxyammonium) hexachloridoplatinate(IV)‒18-crown-6 (1/2)","","- C24 H56 Cl6 N2 O14 Pt -","- C24 H56 Cl6 N2 O14 Pt -","- C192 H448 Cl48 N16 O112 Pt8 -","8","0.5","PK2505","Bulatov, Evgeny; Afanasenko, Anastasiya; Chulkova, Tatiana; Haukka, Matti","Bis(hydroxyammonium) hexachloridoplatinate(IV)‒18-crown-6 (1/2)","Acta Crystallographica Section E","2014","70","1","m7","m8","10.1107/S1600536813032649","","","0.71073","MoKα","","0.0464","0.0327","","","0.0504","0.0539","","","","","","1.125","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239101","9.8336","0.0011","9.8665","0.0009","16.6357","0.0008","100.29","0.006","101.696","0.007","109.129","0.009","1439.9","0.3","144","2","144","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1,1-Diphenyl-2-(thiophen-2-ylmethylidene)hydrazine","","- C17 H14 N2 S -","- C17 H14 N2 S -","- C68 H56 N8 S4 -","4","2","IS5326","Cabrera-Vivas, Blanca M.; Flores-Alamo, Marcos; Meléndrez-Luévano, Ruth; Meléndez-Balbuena, Lidia; Ramirez, Juan C.","(<i>E</i>)-1,1-Diphenyl-2-(thiophen-2-ylmethylidene)hydrazine","Acta Crystallographica Section E","2014","70","1","o80","","10.1107/S1600536813033874","","","0.71073","MoKα","","0.0486","0.0394","","","0.0916","0.0987","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239102","8.1337","0.0002","28.9015","0.0009","8.4727","0.0002","90","","113.449","0.001","90","","1827.24","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzylammonium) dihydrogen diphosphate","","- C14 H22 N2 O7 P2 -","- C14 H22 N2 O7 P2 -","- C56 H88 N8 O28 P8 -","4","1","LH5670","Saad, Ahlem Ben; Elboulali, Adel; Ratel-Ramond, Nicolas; Mohamed, Rzaigui; Toumi, Samah Akriche","Bis(benzylammonium) dihydrogen diphosphate","Acta Crystallographica Section E","2014","70","1","o3","","10.1107/S1600536813032455","","","0.71073","MoKα","","0.0563","0.0428","","","0.1186","0.1273","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239103","6.8275","0.0018","14.004","0.004","14.267","0.004","90","","91.293","0.005","90","","1363.8","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>Z</i>,4<i>E</i>)-1-(5-Fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-3-hydroxypenta-2,4-dien-1-one","","- C17 H12 F2 O3 -","- C17 H12 F2 O3 -","- C68 H48 F8 O12 -","4","1","LH5672","Chen, Jing-Wei; He, Zhuo; Wu, Zhen; Fang, Mei-Juan; Fang, Hua","(2<i>Z</i>,4<i>E</i>)-1-(5-Fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-3-hydroxypenta-2,4-dien-1-one","Acta Crystallographica Section E","2014","70","1","o88","","10.1107/S1600536813033564","","","0.71073","MoKα","","0.0631","0.0528","","","0.1392","0.1466","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239104","6.9712","0.0004","10.6989","0.0006","19.3288","0.001","90","","96.441","0.002","90","","1432.52","0.14","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,4-Dichloro-<i>N</i>-[ethyl(2-hydroxyethyl)carbamothioyl]benzamide","","- C12 H14 Cl2 N2 O2 S -","- C12 H14 Cl2 N2 O2 S -","- C48 H56 Cl8 N8 O8 S4 -","4","1","RN2121","Yamin, Bohari M.; Sapari, Suhaila; Hasbullah, Siti Aishah","2,4-Dichloro-<i>N</i>-[ethyl(2-hydroxyethyl)carbamothioyl]benzamide","Acta Crystallographica Section E","2014","70","1","o33","","10.1107/S1600536813032881","","","0.71073","MoKα","","0.0473","0.04","","","0.1123","0.1256","","","","","","1.156","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239105","14.782","0.004","10.883","0.003","18.03","0.004","90","","100.035","0.004","90","","2856.2","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Iodidobis(morpholine-4-carbodithioato-κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bismuth(III)","","- C24 H28 Bi I N4 S4 -","- C24 H28 Bi I N4 S4 -","- C96 H112 Bi4 I4 N16 S16 -","4","1","","Li, Feng; Yin, Handong; Wu, Guoxing","Iodidobis(morpholine-4-carbodithioato-κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bismuth(III)","Acta Crystallographica Section E","2014","70","1","m20","","10.1107/S1600536813033515","","","0.71073","MoKα","","0.0544","0.0361","","","0.0889","0.0999","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239106","13.8746","0.0004","9.7484","0.0002","16.3264","0.0004","90","","106.593","0.002","90","","2116.27","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ~2~-isopropylimido-κ^2^<i>N</i>:<i>N</i>)bis[(η^5^-cyclopentadienyl)(ethenolato-κ<i>O</i>)titanium(IV)]","","- C20 H30 N2 O2 Ti2 -","- C20 H30 N2 O2 Ti2 -","- C80 H120 N8 O8 Ti8 -","4","1","","Haehnel, Martin; Spannenberg, Anke; Rosenthal, Uwe","Bis(μ~2~-isopropylimido-κ^2^<i>N</i>:<i>N</i>)bis[(η^5^-cyclopentadienyl)(ethenolato-κ<i>O</i>)titanium(IV)]","Acta Crystallographica Section E","2014","70","1","m16","","10.1107/S1600536813033072","","","0.71073","MoKα","","0.0261","0.0238","","","0.0684","0.0693","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239107","9.4295","0.0002","9.2755","0.0002","10.0972","0.0002","90","","90","","90","","883.13","0.03","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilithium manganese(II) <i>catena</i>-tetrakis(polyphosphate)","","- Li2 Mn O12 P4 -","- Li2 Mn O12 P4 -","- Li8 Mn4 O48 P16 -","4","0.5","BR2233","Moutataouia, Meryem; Lamire, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","Dilithium manganese(II) <i>catena</i>-tetrakis(polyphosphate), Li~2~Mn(PO~3~)~4~","Acta Crystallographica Section E","2014","70","1","i1","","10.1107/S1600536813032388","","","0.71073","MoKα","","0.0206","0.0181","","","0.0501","0.051","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239108","11.9339","0.0008","12.4369","0.0009","17.9627","0.0012","90","","104.051","0.001","90","","2586.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~4~-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)bis(tetrahydrofuran-κ<i>O</i>)dizinc]","","- C24 H16 F8 O10 Zn2 -","- C24 H16 F8 O10 Zn2 -","- C96 H64 F32 O40 Zn8 -","4","1","IS5307","Choi, Sang Beom; Jhon, Young Ho; Ko, Nakeun; Yang, Jin Kuk","Poly[bis(μ~4~-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)bis(tetrahydrofuran-κ<i>O</i>)dizinc]","Acta Crystallographica Section E","2014","70","1","m3","","10.1107/S1600536813031887","","","0.71073","MoKα","","0.1613","0.0527","","","0.103","0.1394","","","0.941","","","0.941","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239109","8.097","0.0016","12.604","0.003","14.441","0.003","64.28","0.03","82.42","0.03","86.7","0.03","1316.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Cp*RuCl3RuCp*][PF6]","Tri-μ-chlorido-bis[(η^5^-pentamethylcyclopentadienyl)rhodium(III)] hexafluoridophosphate","","- C20 H30 Cl3 F6 P Rh2 -","- C20 H30 Cl3 F6 P Rh2 -","- C40 H60 Cl6 F12 P2 Rh4 -","2","1","TK5276","Ezzedinloo, Lida; Shrestha, Sumi; Bhadbhade, Mohan; Colbran, Stephen","Tri-μ-chlorido-bis[(η^5^-pentamethylcyclopentadienyl)rhodium(III)] hexafluoridophosphate from synchrotron radiation","Acta Crystallographica Section E","2014","70","1","m14","m15","10.1107/S1600536813032480","","","0.71073","Synchrotron","","0.0254","0.025","","","0.0593","0.0595","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239110","7.991","0.0001","8.4273","0.0001","9.6172","0.0002","84.614","0.001","67.682","0.001","63.134","0.001","532.088","0.016","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Dichloridobis(pyridazine-κ<i>N</i>)palladium(II)","","- C8 H8 Cl2 N4 Pd -","- C8 H8 Cl2 N4 Pd -","- C16 H16 Cl4 N8 Pd2 -","2","1","","Laramée, Baptiste; Hanan, Garry S.","<i>trans</i>-Dichloridobis(pyridazine-κ<i>N</i>)palladium(II)","Acta Crystallographica Section E","2014","70","1","m17","","10.1107/S1600536813032716","","","1.54178","CuKα","","0.0229","0.0228","","","0.0677","0.068","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239111","10.44","0.0003","5.3148","0.0002","17.2638","0.0006","90","","99.746","0.0016","90","","944.08","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Nitro-9<i>H</i>-carbazole","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C48 H32 N8 O8 -","4","1","FF2123","Kautny, Paul; Stöger, Berthold","1-Nitro-9<i>H</i>-carbazole","Acta Crystallographica Section E","2014","70","1","o28","","10.1107/S1600536813032704","","","0.71073","MoKα","","0.0472","0.0399","","","0.0666","0.0681","","","","","","1.89","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239112","13.0428","0.001","13.3557","0.001","27.4939","0.0017","90","","90","","90","","4789.3","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1,4,7,10,13,16-Hexaoxacyclooctadecane-κ^6^<i>O</i>)bis(tetrahydrofuran-κ<i>O</i>)potassium bis[(1,2,3,4-η)-anthracene]cobalt(-I) tetrahydrofuran monosolvate","","- C52 H68 Co K O9 -","- C52 H68 Co K O9 -","- C208 H272 Co4 K4 O36 -","4","1","HG5364","He, Haiyan; Klein, Wilhelm; Fässler, Thomas F.","(1,4,7,10,13,16-Hexaoxacyclooctadecane-κ^6^<i>O</i>)bis(tetrahydrofuran-κ<i>O</i>)potassium bis[(1,2,3,4-η)-anthracene]cobalt({-}I) tetrahydrofuran monosolvate","Acta Crystallographica Section E","2014","70","1","m9","m10","10.1107/S1600536813032510","","","0.71073","MoKα","","0.1157","0.0454","","","0.0668","0.0758","","","","","","0.765","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239113","7.4125","0.0003","8.5371","0.0003","13.0825","0.0005","90.401","0.002","95.707","0.002","111.302","0.002","766.66","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Methylphenylsulfonyl)-5,6-dinitro-1<i>H</i>-indazole","","- C14 H10 N4 O6 S -","- C14 H10 N4 O6 S -","- C28 H20 N8 O12 S2 -","2","1","BT6953","Oulemda, Bassou; Rakib, El Mostapha; Abbassi, Najat; Saadi, Mohamed; El Ammari, Lahcen","1-(4-Methylphenylsulfonyl)-5,6-dinitro-1<i>H</i>-indazole","Acta Crystallographica Section E","2014","70","1","o101","","10.1107/S1600536813034326","","","0.71073","MoKα","","0.0475","0.0423","","","0.1188","0.1246","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239114","7.596","0.003","12.377","0.006","12.123","0.006","90","","102.964","0.008","90","","1110.7","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>-Dimethyl-3-phenylisoxazole-5-carboxamide","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","RZ5100","Wang, Li; Li, Ya-Jun; Li, Zheng-Wei; Liu, Kai-Ge; Zhang, Shao-Hua","<i>N</i>,<i>N</i>-Dimethyl-3-phenylisoxazole-5-carboxamide","Acta Crystallographica Section E","2014","70","1","o94","","10.1107/S1600536813033199","","","0.71073","MoKα","","0.0738","0.0469","","","0.1128","0.1276","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239115","9.9658","0.0002","10.1453","0.0002","11.3007","0.0002","71.188","0.001","72.599","0.001","84.434","0.001","1032.04","0.04","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1-Ethyl-5-iodoindoline-2,3-dione","","- C10 H8 I N O2 -","- C10 H8 I N O2 -","- C40 H32 I4 N4 O8 -","4","2","VM2202","Wang, Lei; Shen, Yu-Xiang; Dong, Jian-Tong; Zhang, Man; Fang, Qi","1-Ethyl-5-iodoindoline-2,3-dione","Acta Crystallographica Section E","2014","70","1","o67","","10.1107/S1600536813033539","","","0.71073","MoKα","","0.0291","0.0232","","","0.0608","0.0656","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239116","10.25","0.0003","13.442","0.0003","14.667","0.0004","65.611","0.001","85.525","0.001","76.73","0.002","1791.03","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","1,1'-(Diselanediylbis{[<i>P</i>,<i>P</i>-diphenyl-<i>N</i>-(trimethylsilyl)phosphorimidoyl]methanylylidene})bis[1,1-diphenyl-<i>N</i>-(trimethylsilyl)-λ^5^-phosphanamine] pentane disolvate","","- C72 H102 N4 P4 Se2 Si4 -","- C62 H78 N4 P4 Se2 Si4 -","- C62 H78 N4 P4 Se2 Si4 -","1","0.5","SU2665","Thirumoorthi, Ramalingam; Chivers, Tristram; Laitinen, Risto S.","1,1'-(Diselanediylbis{[<i>P</i>,<i>P</i>-diphenyl-<i>N</i>-(trimethylsilyl)phosphorimidoyl]methanylylidene})bis[1,1-diphenyl-<i>N</i>-(trimethylsilyl)-λ^5^-phosphanamine] pentane disolvate","Acta Crystallographica Section E","2014","70","1","o20","o21","10.1107/S1600536813032674","","","0.71073","MoKα","","0.0882","0.0683","","","0.1573","0.1695","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239117","21.764","0.006","5.2284","0.0013","24.134","0.006","90","","106.388","0.008","90","","2634.7","1.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(2-Chloro-5-nitrophenyl)-<i>N</i>'-(3-chloropropionyl)thiourea","","- C10 H9 Cl2 N3 O3 S -","- C10 H9 Cl2 N3 O3 S -","- C80 H72 Cl16 N24 O24 S8 -","8","1","FJ2651","Yamin, Bohari M.; Soh, Siti K. C.; Yusoff, Siti Fairus M.","<i>N</i>-(2-Chloro-5-nitrophenyl)-<i>N</i>'-(3-chloropropionyl)thiourea","Acta Crystallographica Section E","2014","70","1","o34","","10.1107/S1600536813032662","","","0.71073","MoKα","","0.0424","0.0361","","","0.0928","0.0969","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239118","21.7514","0.0004","6.8794","0.0002","12.9048","0.0003","90","","93.621","0.003","90","","1927.18","0.08","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquabis(4-formylbenzoato-κ<i>O</i>^1^)copper(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']","","- C20 H18 Cu N2 O8 -","- C20 H18 Cu N2 O8 -","- C80 H72 Cu4 N8 O32 -","4","0.5","SU2669","Çelik, Fatih; Dilek, Nefise; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","<i>catena</i>-Poly[[diaquabis(4-formylbenzoato-κ<i>O</i>^1^)copper(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2014","70","1","m4","m5","10.1107/S1600536813032297","","","0.71073","MoKα","","0.0304","0.0279","","","0.087","0.0888","","","","","","1.142","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239119","7.6484","0.0014","9.5715","0.0017","14.394","0.003","75.12","0.012","87.548","0.012","83.298","0.012","1011.4","0.3","166","2","166","2","","","","","","","","5","P -1","-P 1","2","","1-(Bromomercurio)ferrocene","","- C10 H9 Br Fe Hg -","- C10 H9 Br Fe Hg -","- C40 H36 Br4 Fe4 Hg4 -","4","2","","Breunig, Jens M.; Lerner, Hans-Wolfram; Bats, Jan W.","1-(Bromomercurio)ferrocene","Acta Crystallographica Section E","2014","70","1","m13","","10.1107/S1600536813032923","","","0.71073","MoKα","","0.0449","0.0349","","","0.0839","0.0907","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239120","9.2955","0.0019","12.98","0.003","7.5288","0.0015","90","","110.75","0.03","90","","849.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(bromomethyl)pyridine","","- C7 H7 Br2 N -","- C7 H7 Br2 N -","- C28 H28 Br8 N4 -","4","1","GK2596","Cuzan, Olesea; Straistari, Tatiana; Turta, Constantin; Réglier, Marius","2,6-Bis(bromomethyl)pyridine","Acta Crystallographica Section E","2014","70","1","o4","","10.1107/S1600536813032364","","","0.71073","MoKα","","0.0579","0.0439","","","0.1085","0.1187","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239121","5.8965","0.0002","13.6946","0.0005","14.4945","0.0005","91.379","0.002","92.797","0.002","90.906","0.002","1168.53","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Hexane-1,6-diammonium hexafluorosilicate","","- C6 H18 F6 N2 Si -","- C6 H18 F6 N2 Si -","- C24 H72 F24 N8 Si4 -","4","2","RZ5101","Ouasri, Ali; Rhandour, Ali; Saadi, Mohamed; El Ammari, Lahcen","Hexane-1,6-diammonium hexafluorosilicate","Acta Crystallographica Section E","2014","70","1","o92","o93","10.1107/S1600536813034144","","","0.71073","MoKα","","0.0682","0.0515","","","0.1456","0.1593","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239122","8.2098","0.0003","11.4125","0.0004","13.0619","0.0004","79.224","0.003","77.066","0.003","76.645","0.003","1148.65","0.07","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2,6-Bis[1-(2,4,6-trimethylphenylimino)ethyl]pyridine","","- C27 H31 N3 -","- C27 H31 N3 -","- C54 H62 N6 -","2","1","TK5280","Boyt, Stuart M.; Chaplin, Adrian B.","2,6-Bis[1-(2,4,6-trimethylphenylimino)ethyl]pyridine","Acta Crystallographica Section E","2014","70","1","o73","","10.1107/S1600536813033801","","","1.54184","CuKα","","0.046","0.0436","","","0.1208","0.1232","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239123","11.1254","0.001","14.3871","0.0013","15.9525","0.0015","94.491","0.003","101.972","0.003","106.229","0.003","2372.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Benzyltris[2-(dibenzylamino)ethyl]ammonium iodide","","- C55 H61 I N4 -","- C55 H61 I N4 -","- C110 H122 I2 N8 -","2","1","IS5322","Bello, Mollie J.; Brady, Sarah E.; Zakharov, Lev N.; Tyler, David R.","Benzyltris[2-(dibenzylamino)ethyl]ammonium iodide","Acta Crystallographica Section E","2014","70","1","o5","","10.1107/S1600536813031607","","","0.71073","MoKα","","0.0221","0.0201","","","0.0479","0.0491","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239124","9.31412","0.00017","11.9669","0.0002","15.4894","0.0003","90","","90","","90","","1726.47","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Isopropyl-5-methylcyclohexyl quinoline-2-carboxylate","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","TK5278","Fazal, E.; Jasinski, Jerry P.; Anderson, Brian J.; Sudha, B. S.; Nagarajan, S.","2-Isopropyl-5-methylcyclohexyl quinoline-2-carboxylate","Acta Crystallographica Section E","2014","70","1","o35","o36","10.1107/S1600536813033060","","","1.54184","CuKα","","0.0376","0.0365","","","0.0966","0.0978","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239125","19.817","0.0003","11.9384","0.0003","21.7807","0.0004","90","","107.886","0.002","90","","4903.9","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C26 H37 N5 O S -","- C26 H37 N5 O S -","- C208 H296 N40 O8 S8 -","8","1","RZ5099","El-Emam, Ali A.; Al-Tuwaijri, Hanaa M.; Al-Abdullah, Ebtehal S.; Chidan Kumar, C. S.; Fun, Hoong-Kun","3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2014","70","1","o25","o26","10.1107/S1600536813032789","","","1.54178","CuKα","","0.0472","0.0429","","","0.1114","0.1152","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239126","9.5727","0.0012","4.7303","0.0008","18.756","0.002","90","","96.178","0.006","90","","844.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1<i>Z</i>)-1-(1-Benzofuran-2-yl)ethanone oxime","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C40 H36 N4 O8 -","4","1","","Arunakumar, D. B.; Nivedita, R. Desai; Sreenivasa, S.; Madan Kumar, S.; Lokanath, N. K.; Suchetan, P. A.","(1<i>Z</i>)-1-(1-Benzofuran-2-yl)ethanone oxime","Acta Crystallographica Section E","2014","70","1","o40","","10.1107/S1600536813033102","","","1.54178","CuKα","","0.0652","0.0621","","","0.1431","0.1464","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239127","7.3819","0.0006","11.7036","0.0009","16.4373","0.0013","89.469","0.002","85.616","0.002","80.456","0.002","1396.34","0.19","100","2","100","0.1","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-[(2,4,6-Trimethoxybenzylidene)amino]phenol","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","2","IS5324","Kaewmanee, Narissara; Chantrapromma, Suchada; Boonnak, Nawong; Quah, Ching Kheng; Fun, Hoong-Kun","(<i>E</i>)-2-[(2,4,6-Trimethoxybenzylidene)amino]phenol","Acta Crystallographica Section E","2014","70","1","o62","o63","10.1107/S1600536813032996","","","0.71073","MoKα","","0.0756","0.0516","","","0.1309","0.1475","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239128","7.3785","0.0002","20.1801","0.0004","8.2706","0.0002","90","","112.947","0.004","90","","1134.03","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-2-(1,3-Benzothiazol-2-yl)-3-(dimethylamino)prop-2-enenitrile","","- C12 H11 N3 S -","- C12 H11 N3 S -","- C48 H44 N12 S4 -","4","1","TK5279","Mohamed, Shaaban K.; Akkurt, Mehmet; Kariuki, Benson M.; Ali, Ali M.; Albayati, Mustafa R.","(2<i>E</i>)-2-(1,3-Benzothiazol-2-yl)-3-(dimethylamino)prop-2-enenitrile","Acta Crystallographica Section E","2014","70","1","o52","o53","10.1107/S1600536813033266","","","1.54184","CuKα","","0.0405","0.0369","","","0.1033","0.107","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239129","10.245","0.004","13.679","0.005","14.184","0.005","90","","129.15","0.02","90","","1541.5","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-(3-ethoxy-4-hydroxybenzylidene)hydrazine","","- C15 H14 N4 O6 -","- C15 H14 N4 O6 -","- C60 H56 N16 O24 -","4","1","HB7175","Fun, Hoong-Kun; Chantrapromma, Suchada; Ruanwas, Pumsak; Kobkeatthawin, Thawanrat; Chidan Kumar, C. S.","(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-(3-ethoxy-4-hydroxybenzylidene)hydrazine","Acta Crystallographica Section E","2014","70","1","o89","o90","10.1107/S1600536813033989","","","0.71073","MoKα","","0.1041","0.0473","","","0.1062","0.1307","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239130","31.52","0.002","4.3407","0.0003","12.7849","0.0009","90","","94.427","0.006","90","","1744","0.2","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium 2,4-dichlorobenzoate hemihydrate","Poly[μ-aqua-bis(μ~5~-2,4-dichlorobenzoato)dipotassium]","","- C7 H4 Cl2 K O2.5 -","- C7 H4 Cl2 K O2.5 -","- C56 H32 Cl16 K8 O20 -","8","1","WM2791","Smith, Graham","Poly[μ-aqua-bis(μ~5~-2,4-dichlorobenzoato)dipotassium]","Acta Crystallographica Section E","2014","70","1","m23","","10.1107/S1600536813033503","","","0.71073","MoKα","","0.0355","0.0309","","","0.0774","0.0809","","","","","","1.085","","","","has coordinates,has Fobs","198932","2020-10-21","18:00:00",""
"2239131","20.626","0.002","8.9778","0.001","13.9263","0.0016","90","","127.051","0.001","90","","2058.2","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","61-20Co1D","<i>catena</i>-Poly[{μ~3~-3,3'-[(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(methylene)]dibenzoato}cobalt(II)]","","- C24 H28 Co N2 O6 -","- C24 H28 Co N2 O6 -","- C96 H112 Co4 N8 O24 -","4","0.5","GG2131","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Parker, Cass","<i>catena</i>-Poly[{μ~3~-3,3'-[(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(methylene)]dibenzoato}cobalt(II)]","Acta Crystallographica Section E","2014","70","1","m24","","10.1107/S1600536813032832","","","0.71073","MoKα","","0.0667","0.0488","","","0.1159","0.1254","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239132","4.8483","0.0003","28.798","0.002","11.6352","0.0008","90","","101.36","0.001","90","","1592.7","0.18","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Nitrophenylhydrazinium picrate monohydrate","","- C12 H12 N6 O10 -","- C12 H12 N6 O10 -","- C48 H48 N24 O40 -","4","1","LH5673","Cai, Hong-lan; Liu, Bing; Qiao, Qing-an","4-Nitrophenylhydrazinium picrate monohydrate","Acta Crystallographica Section E","2014","70","1","o15","","10.1107/S1600536813032479","","","0.71073","MoKα","","0.0963","0.0625","","","0.135","0.1504","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239133","6.7285","0.0002","22.638","0.0006","9.7561","0.0003","90","","98.074","0.0017","90","","1471.32","0.07","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido(1,10-phenanthroline-5,6-dione-\ κ^2^<i>N</i>,<i>N</i>')platinum(II) acetonitrile monosolvate","","- C14 H9 Cl2 N3 O2 Pt -","- C14 H9 Cl2 N3 O2 Pt -","- C56 H36 Cl8 N12 O8 Pt4 -","4","1","MW2118","Hamala, Amanda; Fritz, Carissa; Rawji, Gulnar; Lynch, Vincent","An acetonitrile solvatomorph of dichlorido(1,10-phenanthroline-5,6-dione)platinum(II)","Acta Crystallographica Section E","2014","70","1","m11","m12","10.1107/S160053681303256X","","","0.71073","MoKα","","0.0498","0.039","","","0.09","0.0942","","","","","","1.159","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239134","12.7","0.005","19.427","0.005","13.203","0.005","90","","115.249","0.005","90","","2946.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[2-(2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)hydrazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate dimethylformamide monosolvate","","- C30 H37 N5 O3 S -","- C30 H37 N5 O3 S -","- C120 H148 N20 O12 S4 -","4","1","","Jothivel, S.; Kabilan, S.","Ethyl 2-[2-(2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)hydrazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate dimethylformamide monosolvate","Acta Crystallographica Section E","2014","70","1","o68","o69","10.1107/S1600536813033540","","","0.71073","MoKα","","0.0833","0.055","","","0.1316","0.1536","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239135","9.4276","0.0004","21.5486","0.0009","11.1178","0.0005","90","","103.916","0.002","90","","2192.31","0.16","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3-Cyano-4-{3-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydroindol-2-ylidene]prop-2-enyl}-5,5-dimethyl-5<i>H</i>-furan-2-ylidene)malononitrile","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C100 H96 N16 O8 -","4","1","PK2507","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","2-(3-Cyano-4-{3-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydroindol-2-ylidene]prop-2-enyl}-5,5-dimethyl-5<i>H</i>-furan-2-ylidene)malononitrile","Acta Crystallographica Section E","2014","70","1","o45","o46","10.1107/S1600536813033242","","","0.71073","MoKα","","0.0789","0.0557","","","0.1372","0.1554","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239136","10.493","0.001","20.395","0.004","6.335","0.004","90","","90","","90","","1355.7","0.9","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","Sodium potassium trialuminium tetrakis(orthoarsenate)","","- Al3 As4 K1.33 Na1.67 O16 -","- Al3 As4 K1.326 Na1.674 O16 -","- Al12 As16 K5.304 Na6.696 O64 -","4","0.25","","Bouhassine, Mohamad Alem; Boughzala, Habib","The aluminoarsenate Na~1.67~K~1.33~Al~3~(AsO~4~)~4~","Acta Crystallographica Section E","2014","70","1","i6","","10.1107/S1600536813033850","","","0.71073","MoKα","","0.0409","0.0379","","","0.1095","0.1118","","","","","","1.15","","","","has coordinates,has Fobs","287588","2023-11-14","18:05:45",""
"2239137","8.8836","0.0004","16.467","0.001","11.4865","0.0006","90","","111.271","0.003","90","","1565.85","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,2-difluoro-12-methyl-1λ^5^,3-diaza-2λ^4^- borapentacyclo[11.7.0.0^3,11^.0^4,9^.0^15,20^]icosa- 1(20),4(9),10,12,14-pentaen-1-ylium, LD540","4,4-Difluoro-2,3;5,6-bis(tetramethylene)-4-bora-3a,4a-diaza-<i>s</i>-indacene","","- C18 H21 B F2 N2 -","- C18 H21 B F2 N2 -","- C72 H84 B4 F8 N8 -","4","1","VM2201","Salorinne, Kirsi; Tero, Tiia-Riikka; Lahtinen, Tanja","4,4-Difluoro-2,3;5,6-bis(tetramethylene)-4-bora-3a,4a-diaza-<i>s</i>-indacene (LD540)","Acta Crystallographica Section E","2014","70","1","o74","","10.1107/S1600536813033448","","","1.54184","CuKα","","0.0647","0.0471","","","0.1144","0.1245","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239138","14.784","0.002","5.5853","0.0008","14.896","0.002","90","","107.914","0.008","90","","1170.4","0.3","100","","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Bis(diphenylmethyl)benzene-1,4-diamine","","- C32 H28 N2 -","- C32 H28 N2 -","- C64 H56 N4 -","2","0.5","HB7158","Al-Fahdawi, Aeed S.; Al-Kafajy, Hussain A.; Al-Jeboori, Mohamad J.; Coles, Simon J.; Wilson, Claire; Potgieter, Herman","<i>N</i>,<i>N</i>'-Bis(diphenylmethyl)benzene-1,4-diamine","Acta Crystallographica Section E","2014","70","1","o66","","10.1107/S1600536813033497","","","0.71075","MoKα","","0.1678","0.0768","","","0.1671","0.2078","","","","","","0.97","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239139","6.127","0.0012","30.686","0.006","9.478","0.003","90","","113.35","0.02","90","","1636","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>-Dimethyl-4-(pyren-1-yl)aniline","","- C24 H19 N -","- C24 H19 N -","- C96 H76 N4 -","4","1","SU2671","Thekku Veedu, Sreevidya; Scholz, Mirko; Kia, Reza; Paulmann, Carsten; Techert, Simone","<i>N</i>,<i>N</i>-Dimethyl-4-(pyren-1-yl)aniline","Acta Crystallographica Section E","2014","70","1","o16","","10.1107/S1600536813032698","","","0.6","synchrotron","","0.0571","0.0472","","","0.1295","0.1351","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239140","7.4094","0.0006","9.1941","0.0008","14.4253","0.0011","73.978","0.007","75.315","0.007","75.136","0.007","895.08","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1<i>H</i>-benzimidazole methanol monosolvate","","- C19 H17 Cl N2 O2 S -","- C19 H17 Cl N2 O2 S -","- C38 H34 Cl2 N4 O4 S2 -","2","1","BT6948","Flores-Ramos, Miguel; Castillo, Rafael; Hernández-Campos, Alicia; Flores-Alamo, Marcos","5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1<i>H</i>-benzimidazole methanol monosolvate","Acta Crystallographica Section E","2014","70","1","o77","","10.1107/S1600536813033709","","","0.71073","MoKα","","0.0871","0.049","","","0.0943","0.1115","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239141","7.495","0.0015","6.035","0.0012","22.412","0.005","90","","93.08","0.03","90","","1012.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(1-Benzothiophen-2-yl)-4<i>H</i>-1,3,4-oxadiazin-5(6<i>H</i>)-one","","- C11 H8 N2 O2 S -","- C11 H8 N2 O2 S -","- C44 H32 N8 O8 S4 -","4","1","","Sun, Hong-Shun; Li, Yu-Long; Xu, Ning; Shen, Lin-Jiang","2-(1-Benzothiophen-2-yl)-4<i>H</i>-1,3,4-oxadiazin-5(6<i>H</i>)-one","Acta Crystallographica Section E","2014","70","1","o41","","10.1107/S1600536813033291","","","0.71073","MoKα","","0.1067","0.0642","","","0.1629","0.1923","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239142","19.8109","0.0015","5.9314","0.0004","6.092","0.0004","90","","90","","90","","715.85","0.09","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[triaquamagnesium]-μ~2~-malonato]","","- C3 H8 Mg O7 -","- C3 H8 Mg O7 -","- C12 H32 Mg4 O28 -","4","1","KJ2236","de Klijn, Tim; Lutz, Martin","<i>catena</i>-Poly[[triaquamagnesium]-μ~2~-malonato]","Acta Crystallographica Section E","2014","70","1","m25","m26","10.1107/S1600536813034193","","","0.71073","MoKα","","0.025","0.0234","","","0.0598","0.0608","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239143","5.9516","0.0009","25.147","0.003","12.4506","0.0015","90","","94.908","0.011","90","","1856.6","0.4","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dapsone <i>p</i>-toluenesulfonate","4-(4-Aminophenylsulfonyl)anilinium toluene-4-sulfonate","","- C19 H20 N2 O5 S2 -","- C19 H20 N2 O5 S2 -","- C76 H80 N8 O20 S8 -","4","1","SJ5377","Smith, Graham; Wermuth, Urs D.","4-(4-Aminophenylsulfonyl)anilinium toluene-4-sulfonate","Acta Crystallographica Section E","2014","70","1","o37","","10.1107/S1600536813033023","","","0.71073","MoKα","","0.0943","0.061","","","0.1396","0.1614","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239144","4.514","0.0009","20.56","0.004","12.0712","0.0019","90","","94.153","0.016","90","","1117.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Chloro-2-[(<i>E</i>)-(4-fluorophenyl)iminomethyl]phenol","","- C13 H9 Cl F N O -","- C13 H9 Cl F N O -","- C52 H36 Cl4 F4 N4 O4 -","4","1","ZL2572","Feng, Tian-Jun","4-Chloro-2-[(<i>E</i>)-(4-fluorophenyl)iminomethyl]phenol","Acta Crystallographica Section E","2014","70","1","o42","","10.1107/S1600536813033278","","","0.71073","MoKα","","0.1123","0.056","","","0.1154","0.153","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239145","10.5028","0.0003","20.4117","0.0006","11.9951","0.0004","90","","94.877","0.001","90","","2562.2","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5''-Benzylidene-5-chloro-1',1''-dimethyl-4'-phenyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","","- C30 H28 Cl N3 O2 -","- C30 H28 Cl N3 O2 -","- C120 H112 Cl4 N12 O8 -","4","1","","Farag, I. S. Ahmed; Girgis, Adel S.; Ramadan, A. A.; Moustafa, A. M.; Tiekink, Edward R. T.","5''-Benzylidene-5-chloro-1',1''-dimethyl-4'-phenyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","Acta Crystallographica Section E","2014","70","1","o22","o23","10.1107/S1600536813032765","","","0.71073","MoKα","","0.1657","0.0519","","","0.1024","0.137","","","","","","0.941","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239146","8.1196","0.0005","9.6014","0.0006","10.6116","0.0006","106.818","0.003","92.059","0.003","96.114","0.003","785.45","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Fluorophenyl)-1-(3-methoxyphenyl)-4,5-dimethyl-1<i>H</i>-imidazole","","- C18 H17 F N2 O -","- C18 H17 F N2 O -","- C36 H34 F2 N4 O2 -","2","1","HG5365","Rizwana Begum, S.; Hema, R.; Srinivasan, N.; Anitha, A. G.","2-(4-Fluorophenyl)-1-(3-methoxyphenyl)-4,5-dimethyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2014","70","1","o14","","10.1107/S1600536813032492","","","0.71073","MoKα","","0.0709","0.0473","","","0.1283","0.148","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239147","31.0359","0.0012","5.2549","0.0003","7.873","0.0004","90","","90","","90","","1284.01","0.11","102","2","102","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Chloro-<i>N</i>'-[(3<i>Z</i>)-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene]benzohydrazide","","- C15 H10 Cl N3 O2 -","- C15 H10 Cl N3 O2 -","- C60 H40 Cl4 N12 O8 -","4","1","SU2672","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Jaber, Abdel-Aal M.; Albayati, Mustafa R.","4-Chloro-<i>N</i>'-[(3<i>Z</i>)-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene]benzohydrazide","Acta Crystallographica Section E","2014","70","1","o47","","10.1107/S1600536813033345","","","1.54178","CuKα","","0.0694","0.0589","","","0.1422","0.1519","","","","","","1.162","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239148","10.198","0.002","13.262","0.003","13.771","0.003","81.14","0.03","73.32","0.03","81.14","0.03","1750.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 6-methyl-2-oxo-4-[4-(1<i>H</i>-tetrazol-5-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate‒dimethylformamide‒water (2/1/1)","","- C16.5 H20.5 N6.5 O4 -","- C16.5 H20.5 N6.5 O4 -","- C66 H82 N26 O16 -","4","2","","Ouyang, Hua-Yong; Chang, Yi-Qi; Zhao, Lu","Ethyl 6-methyl-2-oxo-4-[4-(1<i>H</i>-tetrazol-5-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate‒dimethylformamide‒water (2/1/1)","Acta Crystallographica Section E","2014","70","1","o1","o2","10.1107/S1600536813032224","","","0.71073","MoKα","","0.0879","0.0587","","","0.1426","0.1571","","","","","","1.116","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2239149","8.9122","0.0018","16.775","0.003","15.136","0.003","90","","103.71","0.03","90","","2198.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,2,4,6-Pentamethylanilinium hexafluorophosphate‒1,4,7,10,13,16-hexaoxacyclooctadecane (2/1)","","- C34 H60 F12 N2 O6 P2 -","- C34 H60 F12 N2 O6 P2 -","- C68 H120 F24 N4 O12 P4 -","2","0.5","","Chang, Yi Qi; Zhang, Yuan; Lian, Huo Lin","<i>N</i>,<i>N</i>,2,4,6-Pentamethylanilinium hexafluorophosphate‒1,4,7,10,13,16-hexaoxacyclooctadecane (2/1)","Acta Crystallographica Section E","2014","70","1","o72","","10.1107/S1600536813033734","","","0.71073","MoKα","","0.1203","0.0827","","","0.1772","0.1952","","","","","","1.195","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239150","5.0939","0.0003","9.3629","0.0005","18.7422","0.001","90","","90","","90","","893.88","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(6-Hydroxy-1-benzofuran-3-yl)acetamide","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","","Arunakumar, D. B.; Krishnaswamy, G.; Sreenivasa, S.; Pampa, K. J.; Lokanath, N. K.; Suchetan, P. A.","2-(6-Hydroxy-1-benzofuran-3-yl)acetamide","Acta Crystallographica Section E","2014","70","1","o87","","10.1107/S1600536813033436","","","1.54178","CuKα","","0.0334","0.0332","","","0.0808","0.081","","","","","","1.135","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239151","7.0182","0.0005","16.0165","0.0012","26.7488","0.0015","90","","90","","90","","3006.8","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dimethyl 2-[2-(2,4,6-trichlorophenyl)hydrazin-1-ylidene]butanedioate","","- C12 H11 Cl3 N2 O4 -","- C12 H11 Cl3 N2 O4 -","- C96 H88 Cl24 N16 O32 -","8","1","","Usha, M. K.; Shetty, Shobhitha; Kalluraya, B.; Kant, Rajni; Gupta, Vivek K.; Revannasiddaiah, D.","Dimethyl 2-[2-(2,4,6-trichlorophenyl)hydrazin-1-ylidene]butanedioate","Acta Crystallographica Section E","2014","70","1","o13","","10.1107/S160053681303242X","","","0.71073","MoKα","","0.0851","0.0477","","","0.0967","0.1178","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239152","4.9975","0.0002","10.4305","0.0004","18.8467","0.0007","90","","97.257","0.002","90","","974.54","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-[2-Hydroxy-4-(prop-2-yn-1-yloxy)phenyl]ethan-one","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","SU2668","Selvarani, V.; Neelakantan, M. A.; Srinivasan, T.; Velmurugan, D.","1-[2-Hydroxy-4-(prop-2-yn-1-yloxy)phenyl]ethanone","Acta Crystallographica Section E","2014","70","1","o24","","10.1107/S1600536813032613","","","0.71073","MoKα","","0.0567","0.0429","","","0.1175","0.1298","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239153","9.576","0.005","10.187","0.004","17.392","0.005","94.48","0.02","103.74","0.04","112.25","0.04","1498.5","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Hexakis(3-chloro-2-methylanilinium) cyclohexaphosphate dihydrate","","- C42 H58 Cl6 N6 O20 P6 -","- C42 H58 Cl6 N6 O20 P6 -","- C42 H58 Cl6 N6 O20 P6 -","1","0.5","FJ2652","Bel Haj Salah, Raoudha; Khederi, Lamia; Rzaigui, Mohamed","Hexakis(3-chloro-2-methylanilinium) cyclohexaphosphate dihydrate","Acta Crystallographica Section E","2014","70","1","o61","","10.1107/S1600536813033230","","","0.71073","MoKα","","0.0971","0.0496","","","0.1107","0.1281","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239154","6.6309","0.0002","15.0142","0.0006","17.7082","0.0007","90","","94.551","0.001","90","","1757.43","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Nitrobenzoic acid‒sulfathiazole (1/1)","4-Amino-<i>N</i>-(1,3-thiazol-2-yl)benzenesulfonamide‒4-nitrobenzoic acid (1/1)","","- C16 H14 N4 O6 S2 -","- C16 H14 N4 O6 S2 -","- C64 H56 N16 O24 S8 -","4","1","","Oruganti, Madhavi; Trivedi, Darshak R.","4-Nitrobenzoic acid‒sulfathiazole (1/1)","Acta Crystallographica Section E","2014","70","1","o85","o86","10.1107/S1600536813034004","","","0.71073","MoKα","","0.0269","0.026","","","0.1008","0.1035","","","","","","0.893","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239155","5.9265","0.001","13.112","0.002","14.556","0.002","90","","96.875","0.007","90","","1123","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4-Hydroxy-3-methylphenyl)(4-fluorophenyl)methanone","","- C14 H11 F O2 -","- C14 H11 F O2 -","- C56 H44 F4 O8 -","4","1","IS5325","Dileep, C. S.; Lakshmi Ranganatha, V.; Lokanath, N. K.; Khanum, S. A.; Sridhar, M. A.","(4-Fluorophenyl)(4-hydroxy-3-methylphenyl)methanone","Acta Crystallographica Section E","2014","70","1","o76","","10.1107/S1600536813033783","","","1.54178","CuKα","","0.1177","0.0682","","","0.2202","0.2726","","","","","","1.164","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239156","20.5488","0.0019","12.3788","0.0006","23.043","0.002","90","","122.843","0.013","90","","4924.5","1","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(6-Chloropyridazin-3-yl)ferrocene","","- C14 H11 Cl Fe N2 -","- C14 H11 Cl Fe N2 -","- C224 H176 Cl16 Fe16 N32 -","16","2","RN2116","Shi, Guo-Qing; Zhao, Wen-En; Zhao, Xiao-Hui; Hao, Lu-Ye","(6-Chloropyridazin-3-yl)ferrocene","Acta Crystallographica Section E","2014","70","1","m2","","10.1107/S1600536813031310","","","0.71073","MoKα","","0.0417","0.0312","","","0.0724","0.0777","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239157","5.8548","0.0005","8.8892","0.0007","28.273","0.002","90","","93.574","0.004","90","","1468.6","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-Benzylidene-2-chloro-<i>N</i>-(4-chlorophenyl)acetohydrazide","","- C15 H12 Cl2 N2 O -","- C15 H12 Cl2 N2 O -","- C60 H48 Cl8 N8 O4 -","4","1","HB7168","Vinutha, N.; Madan Kumar, S.; Shyma, P. C.; Kalluraya, B.; Lokanath, N. K.; Revannasiddaiah, D.","<i>N</i>'-Benzylidene-2-chloro-<i>N</i>-(4-chlorophenyl)acetohydrazide","Acta Crystallographica Section E","2014","70","1","o31","","10.1107/S1600536813032790","","","1.54178","CuKα","","0.0609","0.0533","","","0.1386","0.1454","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239158","7.5275","0.0015","21.804","0.004","7.1681","0.0014","90","","101.07","0.03","90","","1154.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Fluoro-4-nitrophenoxy)-3-nitropyridine","","- C11 H6 F N3 O5 -","- C11 H6 F N3 O5 -","- C44 H24 F4 N12 O20 -","4","1","PK2504","Cui, Lili; He, Xingquan","2-(2-Fluoro-4-nitrophenoxy)-3-nitropyridine","Acta Crystallographica Section E","2014","70","1","o100","","10.1107/S1600536813034181","","","0.71073","MoKα","","0.1065","0.0622","","","0.1252","0.1399","","","","","","0.935","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239159","6.4379","0.0002","7.8889","0.0003","13.5122","0.0005","90","","97.43","0.002","90","","680.49","0.04","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1<i>R</i>,3<i>S</i>,8<i>R</i>)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one","","- C16 H24 O -","- C16 H24 O -","- C32 H48 O2 -","2","1","","Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Abdelwahed, Auhmani","(1<i>R</i>,3<i>S</i>,8<i>R</i>)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one","Acta Crystallographica Section E","2014","70","1","o81","o82","10.1107/S1600536813034041","","","0.71073","MoKα","","0.0502","0.0413","","","0.1048","0.1112","","","","","","1.041","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239160","9.8591","0.0003","9.3953","0.0003","9.9778","0.0003","90","","118.965","0.001","90","","808.63","0.04","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Potassium trinickel(II) orthophosphate diphosphate","","- K Ni3 O11 P3 -","- K Ni3 O11 P3 -","- K4 Ni12 O44 P12 -","4","1","BR2234","Moutataouia, Meryem; Lamire, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","Potassium trinickel(II) orthophosphate diphosphate, KNi~3~(PO~4~)P~2~O~7~","Acta Crystallographica Section E","2014","70","1","i5","","10.1107/S1600536813034089","","","0.71073","MoKα","","0.021","0.0196","","","0.0492","0.05","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239161","7.929","0.005","19.817","0.012","8.222","0.005","90","","118.83","0.02","90","","1131.8","1.2","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(pyridine-2-carbonitrile-κ<i>N</i>^1^)copper(II)]","","- C20 H20 Cu2 N4 O8 -","- C20 H20 Cu2 N4 O8 -","- C40 H40 Cu4 N8 O16 -","2","0.5","XU5755","Luo, Mei; Wang, Lei; Zhang, Jing-Cheng","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(pyridine-2-carbonitrile-κ<i>N</i>^1^)copper(II)]","Acta Crystallographica Section E","2014","70","1","m27","","10.1107/S1600536813034120","","","0.71073","MoKα","","0.0697","0.0596","","","0.1512","0.1587","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239162","8.4452","0.0003","13.2433","0.0005","15.3649","0.0006","90","","100.077","0.003","90","","1691.94","0.11","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(2,3-Dihydroxypropyl)-4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium chloride","","- C18 H23 Cl N2 O2 -","- C18 H23 Cl N2 O2 -","- C72 H92 Cl4 N8 O8 -","4","2","SJ5376","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","1-(2,3-Dihydroxypropyl)-4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium chloride","Acta Crystallographica Section E","2014","70","1","o83","o84","10.1107/S1600536813033254","","","0.71073","MoKα","","0.0703","0.0423","","","0.0848","0.096","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239163","5.26","0.005","15.396","0.01","13.215","0.009","90","","96.53","0.02","90","","1063.2","1.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1-(5-Chloro-2-oxoindolin-3-ylidene)thiosemicarbazone","2-(5-Chloro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide","","- C9 H7 Cl N4 O S -","- C9 H7 Cl N4 O S -","- C36 H28 Cl4 N16 O4 S4 -","4","1","","Bittencourt, Viviane Conceição Duarte de; de Vicenti, Juliano Rosa; Velasques, Jecika Maciel; Zambiazi, Priscilla Jussiane; Gervini, Vanessa Carratu","2-(5-Chloro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","1","o64","o65","10.1107/S1600536813033369","","","0.71073","MoKα","","0.0311","0.029","","","0.0804","0.0835","","","","","","0.805","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239164","17.697","0.0006","17.697","0.0006","9.5455","0.0006","90","","90","","120","","2589","0.2","298","2","298","2","","","","","","","","3","R -3","-R 3","148","","(1<i>S</i>*,2<i>S</i>*,4<i>R</i>*,5<i>R</i>*)-Cyclohexane-1,2,4,5-tetracarboxylic acid","","- C10 H12 O8 -","- C10 H12 O8 -","- C90 H108 O72 -","9","","IS5327","Uchida, Akira; Hasegawa, Masatoshi; Yamaguchi, Shinya; Takezawa, Eiichiro; Ishikawa, Atsushi; Kagayama, Takashi","(1<i>S</i>*,2<i>S</i>*,4<i>R</i>*,5<i>R</i>*)-Cyclohexane-1,2,4,5-tetracarboxylic acid","Acta Crystallographica Section E","2014","70","1","o75","","10.1107/S1600536813033795","","","0.71073","MoKα","","0.0491","0.0414","","","0.1131","0.1189","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239165","8.3322","0.0002","12.063","0.0003","23.5756","0.0006","84.615","0.001","87.022","0.001","85.482","0.001","2349.45","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-Methyl-<i>N</i>-(4-methylphenylsulfonyl)-<i>N</i>-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide","","- C24 H22 N2 O4 S3 -","- C24 H22 N2 O4 S3 -","- C96 H88 N8 O16 S12 -","4","2","KP2458","Carballo, Rubén M.; Hernández-Ortega, Simón; Padilla-Montaño, Nayely; Reyes-Martínez, Reyna; Mirón-López, Gumersindo","4-Methyl-<i>N</i>-(4-methylphenylsulfonyl)-<i>N</i>-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide","Acta Crystallographica Section E","2014","70","1","o6","o7","10.1107/S1600536813032145","","","0.71073","MoKα","","0.0493","0.0387","","","0.0971","0.1035","","","","","","0.982","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239166","8.5529","0.0003","9.4517","0.0003","11.8936","0.0003","86.334","0.002","89.838","0.002","75.051","0.003","926.94","0.05","123","2","123","2","","","","","","","","3","P -1","-P 1","2","benzimidazole","2-(Naphthalen-1-yl)-1-phenyl-1<i>H</i>-benzimidazole benzene hemisolvate","","- C26 H19 N2 -","- C26 H19 N2 -","- C52 H38 N4 -","2","1","JJ2179","Srinivasan, N.; Thiruvalluvar, A.; Rosepriya, S.; Prakash, S. M.; Butcher, R. J.","2-(Naphthalen-1-yl)-1-phenyl-1<i>H</i>-benzimidazole benzene hemisolvate","Acta Crystallographica Section E","2014","70","1","o55","o56","10.1107/S160053681303331X","","","0.71069","MoKα","","0.0777","0.0565","","","0.1438","0.1595","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239167","4.2117","0.0005","6.1891","0.0007","10.0641","0.0011","100.59","0.009","94.916","0.009","104.589","0.01","247.14","0.05","173","2","173","2","","","","","","","","5","P 1","P 1","1","","4-Amino-3-(4-hydroxybenzyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C9 H10 N4 O S -","- C9 H10 N4 O S -","- C9 H10 N4 O S -","1","1","SU2674","Sarojini, B. K.; Manjula, P. S.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.","4-Amino-3-(4-hydroxybenzyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2014","70","1","o48","o49","10.1107/S1600536813033370","","","0.71073","MoKα","","0.0426","0.0407","","","0.0991","0.1024","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239168","16.1925","0.0005","15.6802","0.0005","17.6529","0.0006","90","","115.038","0.002","90","","4060.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{2-[5-(4-Cyano-5-dicyanomethylidene-2,2-dimethyl-2,5-dihydrofuran-3-yl)penta-2,4-dienylidene]-3,3-dimethyl-2,3-dihydro-1<i>H</i>-indol-1-yl}ethyl 3,5-bis(benzyloxy)benzoate","","- C48 H42 N4 O5 -","- C48 H42 N4 O5 -","- C192 H168 N16 O20 -","4","1","SU2670","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","2-{2-[5-(4-Cyano-5-dicyanomethylidene-2,2-dimethyl-2,5-dihydrofuran-3-yl)penta-2,4-dienylidene]-3,3-dimethyl-2,3-dihydro-1<i>H</i>-indol-1-yl}ethyl 3,5-bis(benzyloxy)benzoate","Acta Crystallographica Section E","2014","70","1","o29","o30","10.1107/S1600536813032868","","","0.71073","MoKα","","0.0916","0.054","","","0.1307","0.1532","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239169","7.36652","0.00017","17.0314","0.0004","11.2047","0.0002","90","","90.02","0.002","90","","1405.77","0.05","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(1-Benzofuran-2-yl)ethanone <i>O</i>-(2,6-difluorobenzyl)oxime","","- C17 H13 F2 N O2 -","- C17 H13 F2 N O2 -","- C68 H52 F8 N4 O8 -","4","1","","Kosmalski, Tomasz; Gzella, Andrzej K.","1-(1-Benzofuran-2-yl)ethanone <i>O</i>-(2,6-difluorobenzyl)oxime","Acta Crystallographica Section E","2014","70","1","o91","","10.1107/S1600536813034090","","","0.71073","MoKα","","0.0533","0.0408","","","0.0932","0.0992","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239170","13.7649","0.0013","12.4993","0.0011","8.1263","0.001","90","","95.523","0.001","90","","1391.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(2-Chlorobenzylidene)-1-methyl-4-nitro-1<i>H</i>-pyrrole-2-carbohydrazide","","- C13 H11 Cl N4 O3 -","- C13 H11 Cl N4 O3 -","- C52 H44 Cl4 N16 O12 -","4","1","FF2124","Wang, Jinglin; He, Rong; Xin, Zhijuan; Shen, Huiling; Wang, Cairong","(<i>E</i>)-<i>N</i>'-(2-Chlorobenzylidene)-1-methyl-4-nitro-1<i>H</i>-pyrrole-2-carbohydrazide","Acta Crystallographica Section E","2014","70","1","o99","","10.1107/S1600536813034119","","","0.71073","MoKα","","0.098","0.0605","","","0.1428","0.1641","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239171","11.1901","0.0002","11.6434","0.0003","12.427","0.0003","99.477","0.002","90.235","0.002","114.893","0.001","1443.77","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-5''-(4-chlorobenzylidene)-4'-(4-chlorophenyl)-1''-ethyl-1'-methyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","","- C31 H28 Cl3 N3 O2 -","- C31 H28 Cl3 N3 O2 -","- C62 H56 Cl6 N6 O4 -","2","1","","Farag, I. S. Ahmed; Girgis, Adel S.; Ramadan, A. A.; Moustafa, A. M.; Tiekink, Edward R. T.","5-Chloro-5''-(4-chlorobenzylidene)-4'-(4-chlorophenyl)-1''-ethyl-1'-methyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","Acta Crystallographica Section E","2014","70","1","o43","o44","10.1107/S1600536813033096","","","0.71073","MoKα","","0.0959","0.0574","","","0.1355","0.1603","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239172","7.2535","0.0003","8.6686","0.0004","11.769","0.0005","70.909","0.001","80.139","0.001","88.077","0.001","688.78","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-(3,5-Difluorophenyl)-1-(4-fluorophenyl)-3-trifluoromethyl-1<i>H</i>-pyrazole","","- C16 H8 F6 N2 -","- C16 H8 F6 N2 -","- C32 H16 F12 N4 -","2","1","","Manoj Kumar, Karikere Ekanna; Suchetan, Parameshwar Adimoole; Palakshamurthy, Bandrehalli Siddagangaiah; Madan Kumar, Shankar; Lokanath, Neratur Krishnappagowda; Sreenivasa, Swamy","5-(3,5-Difluorophenyl)-1-(4-fluorophenyl)-3-trifluoromethyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2014","70","1","o19","","10.1107/S1600536813032650","","","1.54178","CuKα","","0.0583","0.054","","","0.1605","0.1809","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239173","5.4399","0.0002","18.0322","0.0006","19.0103","0.0006","90","","98.973","0.002","90","","1841.96","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-{<i>N</i>-[(2,3,4,9-Tetrahydro-1<i>H</i>-carbazol-3-yl)methyl]methylsulfonamido}ethyl methanesulfonate","","- C17 H24 N2 O5 S2 -","- C17 H24 N2 O5 S2 -","- C68 H96 N8 O20 S8 -","4","1","XU5758","Göçmentürk, Mustafa; Ergün, Yavuz; Mougang-Soume, Berline; Çaylak Delibaş, Nagihan; Hökelek, Tuncer","2-{<i>N</i>-[(2,3,4,9-Tetrahydro-1<i>H</i>-carbazol-3-yl)methyl]methylsulfonamido}ethyl methanesulfonate","Acta Crystallographica Section E","2014","70","1","o78","o79","10.1107/S1600536813034016","","","1.54178","CuKα","","0.0321","0.0313","","","0.0888","0.0897","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239174","6.212","0.002","7.015","0.003","12.422","0.002","100.61","0.03","99.26","0.02","99.57","0.02","514.3","0.3","293","2","293","","","","","","","","","6","P -1","-P 1","2","","Bis(4-aminopyridinium) hexaaquanickel(II) bis(sulfate)","","- C10 H26 N4 Ni O14 S2 -","- C10 H26 N4 Ni O14 S2 -","- C10 H26 N4 Ni O14 S2 -","1","0.5","","Sahbani, Thameur; Smirani Sta, Wajda; Rzaigui, Mohamed","Bis(4-aminopyridinium) hexaaquanickel(II) bis(sulfate)","Acta Crystallographica Section E","2014","70","1","m6","","10.1107/S1600536813032558","","","0.56085","AgKα","","0.0565","0.0379","","","0.091","0.0972","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239175","10.4977","0.0006","15.8329","0.0007","16.3994","0.0008","64.222","0.003","87.792","0.003","86.469","0.003","2449.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Cobalt(II) Dimer","Bis(μ~2~-benzoato-κ^2^<i>O</i>:<i>O</i>')bis[(benzoato-κ^2^<i>O</i>,<i>O</i>')bis(4,4'-bipyridine-κ<i>N</i>)cobalt(II)]‒benzoic acid (1/6)","","- C110 H88 Co2 N8 O20 -","- C110 H88 Co2 N8 O20 -","- C110 H88 Co2 N8 O20 -","1","0.5","MW2119","Peña-Rodríguez, Rodolfo; Rivera, José María; Colorado-Peralta, Raúl; Duarte-Hernández, Angélica María; Flores-Parra, Angelina","Bis(μ~2~-benzoato-κ^2^<i>O</i>:<i>O</i>')bis[(benzoato-κ^2^<i>O</i>,<i>O</i>')bis(4,4'-bipyridine-κ<i>N</i>)cobalt(II)]‒benzoic acid (1/6)","Acta Crystallographica Section E","2014","70","1","m21","m22","10.1107/S1600536813033357","","","0.71073","MoKα","","0.1818","0.0764","","","0.1223","0.1565","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239176","11.5458","0.0005","12.2357","0.0005","12.5267","0.0007","64.341","0.002","84.286","0.002","83.467","0.002","1582.29","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-5''-[4-(dimethylamino)benzylidene]-4'-[4-(dimethylamino)phenyl]-1',1''-dimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","","- C34 H38 Cl N5 O2 -","- C34 H38 Cl N5 O2 -","- C68 H76 Cl2 N10 O4 -","2","1","","Farag, I. S. Ahmed; Girgis, Adel S.; Ramadan, A. A.; Moustafa, A. M.; Tiekink, Edward R. T.","5-Chloro-5''-[4-(dimethylamino)benzylidene]-4'-[4-(dimethylamino)phenyl]-1',1''-dimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","Acta Crystallographica Section E","2014","70","1","o70","o71","10.1107/S1600536813033771","","","0.71073","MoKα","","0.2651","0.0606","","","0.109","0.1654","","","","","","0.906","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239177","7.0718","0.0008","7.2901","0.0008","11.8434","0.0007","92.778","0.007","94.986","0.007","109.752","0.01","570.5","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-[(<i>E</i>)-(4-Chlorobenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C10 H9 Cl N4 S -","- C10 H9 Cl N4 S -","- C20 H18 Cl2 N8 S2 -","2","1","QM2102","Sarojini, B. K.; Manjula, P. S.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.","4-[(<i>E</i>)-(4-Chlorobenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2014","70","1","o57","o58","10.1107/S1600536813033527","","","1.54184","CuKα","","0.0503","0.0431","","","0.1108","0.1202","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239178","12.611","0.003","9.5694","0.0019","20.325","0.006","90","","124.1","0.02","90","","2031.1","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(9<i>H</i>-Fluoren-9-ylidene)(2-methoxyphenyl)methyl]-1,1,1-trimethylsilanamine","","- C24 H25 N O Si -","- C24 H25 N O Si -","- C96 H100 N4 O4 Si4 -","4","1","SJ5378","Li, Zhong-Yuan; Wang, Peng; Chen, Xia","<i>N</i>-[(9<i>H</i>-Fluoren-9-ylidene)(2-methoxyphenyl)methyl]-1,1,1-trimethylsilanamine","Acta Crystallographica Section E","2014","70","1","o59","o60","10.1107/S1600536813033424","","","0.71073","MoKα","","0.0843","0.0752","","","0.1679","0.1729","","","","","","1.237","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239179","6.8924","0.0003","8.757","0.0004","6.0758","0.0002","90","","90","","90","","366.72","0.03","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nickel(II) uranium(IV) trisulfide","","- Ni S3 U -","- Ni S3 U -","- Ni4 S12 U4 -","4","0.5","","Ward, Matthew D.; Ibers, James A.","Nickel(II) uranium(IV) trisulfide","Acta Crystallographica Section E","2014","70","1","i4","","10.1107/S1600536813033680","","","0.71073","MoKα","","0.0187","0.0181","","","0.0427","0.0429","","","","","","1.356","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239180","8.017","0.007","11.734","0.009","16.131","0.013","90","","90","","90","","1517","2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Amino-12-methylsulfonyloxy-[2.2]paracyclophane","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C68 H76 N4 O12 S4 -","4","1","CV5436","Meng, Xiangchao; Duan, Wenzeng; Han, Yinfeng","4-Amino-12-methylsulfonyloxy-[2.2]paracyclophane","Acta Crystallographica Section E","2014","70","1","o18","","10.1107/S1600536813032595","","","0.71073","MoKα","","0.0483","0.0376","","","0.0798","0.0844","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239181","9.6451","0.001","10.9491","0.0012","13.8425","0.0015","78.07","0.02","79.08","0.02","76.76","0.02","1376.7","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","Triphenyl(2,3,5,6-tetrafluorobenzyl)phosphonium bromide‒1,1,2,2-tetrafluoro-1,2-diiodoethane (1/1)","","- C27 H18 Br F8 I2 P -","- C27 H18 Br F8 I2 P -","- C54 H36 Br2 F16 I4 P2 -","2","1","QK2057","Cavallo, Gabriella; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","The 1:1 co-crystal of triphenyl(2,3,5,6-tetrafluorobenzyl)phosphonium bromide and 1,1,2,2-tetrafluoro-1,2-diiodoethane","Acta Crystallographica Section E","2014","70","1","o9","o10","10.1107/S1600536813032522","","","0.71073","MoKα","","0.0353","0.0298","","","0.075","0.0772","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239182","12.869","0.003","19.445","0.004","8.3702","0.0018","90","","100.28","0.004","90","","2060.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-Methyl-3-phenylselanyl-4-(phenylsulfinyl)oct-3-en-2-ol","","- C21 H26 O2 S Se -","- C21 H26 O2 S Se -","- C84 H104 O8 S4 Se4 -","4","1","","Wu, Jinglan; Chen, Chen","(<i>E</i>)-2-Methyl-3-phenylselanyl-4-(phenylsulfinyl)oct-3-en-2-ol","Acta Crystallographica Section E","2014","70","1","o8","","10.1107/S1600536813032182","","","0.71073","MoKα","","0.1131","0.0859","","","0.2189","0.2302","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239183","7.84207","0.00014","14.2305","0.0003","27.6218","0.0005","90","","90","","90","","3082.5","0.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(4-Methylpiperazin-1-yl)-(2,3,4-trimethoxybenzylidene)amine","(4-Methylpiperazin-1-yl)(2,3,4-trimethoxybenzylidene)amine","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C120 H184 N24 O24 -","8","1","HG5389","Kavitha, Channappa N.; Jasinski, Jerry P.; Kaur, Manpreet; Yathirajan, H.S.","(4-Methylpiperazin-1-yl)(2,3,4-trimethoxybenzylidene)amine","Acta Crystallographica Section E","2014","70","4","o500","","10.1107/S1600536814006291","","","1.54184","CuKα","","0.0443","0.0395","","","0.1089","0.1133","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239184","9.679","0.0004","7.071","0.0003","17.3117","0.0007","90","","94.872","0.002","90","","1180.54","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","12-{[4-(4-Bromophenyl)piperazin-1-yl]methyl}-9α-hydroxy-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C25 H33 Br N2 O4 -","- C25 H33 Br N2 O4 -","- C50 H66 Br2 N4 O8 -","2","1","BT6970","Loubidi, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","12-{[4-(4-Bromophenyl)piperazin-1-yl]methyl}-9α-hydroxy-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2014","70","4","o497","o498","10.1107/S1600536814006473","","","0.71073","MoKα","","0.0357","0.0295","","","0.0737","0.0757","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239185","8.0083","0.0004","10.2948","0.0006","11.7481","0.0006","90","","99.733","0.001","90","","954.62","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[diammonium [diaqua(μ~7~-benzene-1,2,3,4,5,6-hexacarboxylato)tetraoxidodiuranium(VI)]]","","- C12 H12 N2 O18 U2 -","- C12 H12 N2 O18 U2 -","- C24 H24 N4 O36 U4 -","2","0.5","","Cantos, Paula M.; Cahill, Christopher L.","Poly[diammonium [diaqua(μ~7~-benzene-1,2,3,4,5,6-hexacarboxylato)tetraoxidodiuranium(VI)]]","Acta Crystallographica Section E","2014","70","4","m142","m143","10.1107/S1600536814006047","","","0.71073","MoKα","","0.0213","0.0166","","","0.0333","0.0347","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239186","8.347","0.003","7.063","0.003","39.946","0.016","90","","90","","90","","2355","1.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,3-Bis[(3-methylbiphenyl-4-yl)imino]butane","","- C30 H28 N2 -","- C30 H28 N2 -","- C120 H112 N8 -","4","0.5","","Chen, Jingjing; Yuan, Jianchao; Zhao, Jie; Xu, Weibing; Mu, Yanqiong","2,3-Bis[(3-methylbiphenyl-4-yl)imino]butane","Acta Crystallographica Section E","2014","70","4","o455","","10.1107/S1600536814005686","","","0.71073","MoKα","","0.1316","0.0691","","","0.1146","0.135","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239187","11.5763","0.0003","11.3417","0.0003","9.316","0.0002","90","","90","","90","","1223.14","0.05","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","<i>catena</i>-Poly[[di-<i>tert</i>-butyltin(IV)]-μ-oxalato]","","- C10 H18 O4 Sn -","- C10 H18 O4 Sn -","- C40 H72 O16 Sn4 -","4","0.5","CQ2010","Reichelt, Martin; Reuter, Hans","<i>catena</i>-Poly[[di-<i>tert</i>-butyltin(IV)]-μ-oxalato]","Acta Crystallographica Section E","2014","70","4","m133","","10.1107/S160053681400539X","","","0.71073","MoKα","","0.0178","0.0154","","","0.0366","0.0375","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239188","9.4964","0.0004","28.6497","0.0013","9.9511","0.0004","90","","96.727","0.004","90","","2688.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(4<i>S</i>,5<i>R</i>)-4-Benzyloxy-5-[4-(cyclohexanecarbonyl)phenyl]-1-(4-methoxybenzyl)pyrrolidin-2-one","","- C32 H35 N O4 -","- C32 H35 N O4 -","- C128 H140 N4 O16 -","4","2","FY2104","Gao, Yan-Jiao; Ma, Jie; Zheng, Xiao","(4<i>S</i>,5<i>R</i>)-4-Benzyloxy-5-[4-(cyclohexanecarbonyl)phenyl]-1-(4-methoxybenzyl)pyrrolidin-2-one","Acta Crystallographica Section E","2014","70","4","o419","o420","10.1107/S1600536814003638","","","0.71073","MoKα","","0.0665","0.0481","","","0.1096","0.1225","","","","","","1.025","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2239189","11.1667","0.0002","7.74","0.0001","18.4736","0.0003","90","","98.683","0.001","90","","1578.38","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methyl-1-(3-methylphenylsulfonyl)naphtho[2,1-<i>b</i>]furan","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","ZQ2218","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-Methyl-1-(3-methylphenylsulfonyl)naphtho[2,1-<i>b</i>]furan","Acta Crystallographica Section E","2014","70","4","o416","","10.1107/S1600536814005157","","","0.71073","MoKα","","0.0485","0.042","","","0.1118","0.1172","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239190","8.203","0.0003","14.3203","0.0005","11.8477","0.0004","90","","105.016","0.004","90","","1344.22","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6-Chloro-2-chloromethyl-4-phenylquinazoline 3-oxide","6-Chloro-2-chloromethyl-4-phenylquinazoline 3-oxide","","- C15 H10 Cl2 N2 O -","- C15 H10 Cl2 N2 O -","- C60 H40 Cl8 N8 O4 -","4","1","ZS2289","Yamuna, Thammarse S.; Jasinski, Jerry P.; Kaur, Manpreet; Yathirajan, Hemmige S.; Siddegowda, Maravanahalli S.","6-Chloro-2-chloromethyl-4-phenylquinazoline 3-oxide","Acta Crystallographica Section E","2014","70","4","o440","o441","10.1107/S1600536814005303","","","0.71073","MoKα","","0.0503","0.0379","","","0.0911","0.0998","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239191","8.8109","0.0013","12.7222","0.0016","13.1696","0.0014","66.227","0.006","73.797","0.006","88.068","0.009","1292.1","0.3","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","4-Amino-<i>N</i>-(2,3-dihydro-1,3-thiazol-2-ylidene)benzenesulfonamide; 2,4,6-tris(pyridin-2-yl)-1,3,5-triazine","","- C27 H21 N9 O2 S2 -","- C27 H21 N9 O2 S2 -","- C54 H42 N18 O4 S4 -","2","1","","Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.","4-Amino-<i>N</i>-(2,3-dihydro-1,3-thiazol-2-ylidene)benzenesulfonamide‒2,4,6-tris(pyridin-2-yl)-1,3,5-triazine (1/1)","Acta Crystallographica Section E","2014","70","4","o402","o403","10.1107/S1600536814004838","","","0.71073","MoKα","","0.0472","0.0435","","","0.0847","0.0869","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239192","8.2438","0.0013","16.405","0.002","8.8561","0.0014","90","","110.705","0.002","90","","1120.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Chloro-4-(2-hydroxyethylamino)quinolin-1-ium chloride","","- C11 H12 Cl2 N2 O -","- C11 H12 Cl2 N2 O -","- C44 H48 Cl8 N8 O4 -","4","1","","Gama, Ivson L.; de Souza, Marcus V. N.; Wardell, James L.; Tiekink, Edward R. T.","7-Chloro-4-(2-hydroxyethylamino)quinolin-1-ium chloride","Acta Crystallographica Section E","2014","70","4","o385","o386","10.1107/S1600536814004565","","","0.71075","MoKα","","0.038","0.03","","","0.073","0.0761","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239193","10.948","0.0003","11.8207","0.0003","10.5027","0.0004","90","","90","","90","","1359.19","0.07","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","Tetrachlorocarbene γ-terpinene","(1<i>S</i>*,3<i>R</i>*,5<i>S</i>*,7<i>S</i>*)-4,4,8,8-Tetrachloro-1-isopropyl-5-methyltricyclo[5.1.0.0^3,5^]octane","","- C12 H16 Cl4 -","- C12 H16 Cl4 -","- C48 H64 Cl16 -","4","1","LD2121","Turdybekov, Koblandy M.; Ryazantsev, Oleg G.; Atazhanova, Gayane A.; Adekenov, Sergazy M.","(1<i>S</i>*,3<i>R</i>*,5<i>S</i>*,7<i>S</i>*)-4,4,8,8-Tetrachloro-1-isopropyl-5-methyltricyclo[5.1.0.0^3,5^]octane","Acta Crystallographica Section E","2014","70","4","o417","","10.1107/S1600536814004826","","","0.71073","MoKα","","0.0254","0.023","","","0.0524","0.0535","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239194","9.2686","0.0019","9.6491","0.0019","11.082","0.002","96.48","0.03","97.81","0.03","97.97","0.03","963.6","0.4","298","2","298","","","","","","","","","7","P -1","-P 1","2","","μ-Oxido-bis[hydridotris(trimethylphosphane-\ κ<i>P</i>)iridium(III)](<i>Ir</i>—<i>Ir</i>) bis(tetrafluoridoborate) dihydrate","","- C18 H60 B2 F8 Ir2 O3 P6 -","- C18 H60 B2 F8 Ir2 O3 P6 -","- C18 H60 B2 F8 Ir2 O3 P6 -","1","0.5","PK2518","Merola, Joseph; Husebo, Trang Le","μ-Oxido-bis[hydridotris(trimethylphosphane-κ<i>P</i>)iridium(III)](<i>Ir</i>—<i>Ir</i>) bis(tetrafluoridoborate) dihydrate","Acta Crystallographica Section E","2014","70","4","m122","m123","10.1107/S160053681400453X","","","0.71073","MoKα","","0.0419","0.0344","","","0.0807","0.0858","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239195","8.66858","0.00016","21.82","0.0004","10.41956","0.00018","90","","108.171","0.0019","90","","1872.56","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","{2-[(1<i>H</i>-Indol-3-ylmethylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-3-yl}(phenyl)methanone","{2-[(1<i>H</i>-Indol-3-ylmethylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-3-yl}(phenyl)methanone","","- C24 H20 N2 O S -","- C24 H20 N2 O S -","- C96 H80 N8 O4 S4 -","4","2","BT6971","Kaur, Manpreet; Jasinski, Jerry P.; Yamuna, Thammarse S.; Yathirajan, H. S.; Byrappa, K.","{2-[(1<i>H</i>-Indol-3-ylmethylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-3-yl}(phenyl)methanone","Acta Crystallographica Section E","2014","70","4","o501","o502","10.1107/S1600536814006345","","","1.54184","CuKα","","0.0408","0.0379","","","0.0955","0.0981","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239196","7.74","0.0009","20.278","0.003","9.6257","0.0012","90","","105.121","0.008","90","","1458.5","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Phenylpiperazine-1,4-diium tetrachloridocobalt(II)","","- C10 H16 Cl4 Co N2 -","- C10 H16 Cl4 Co N2 -","- C40 H64 Cl16 Co4 N8 -","4","1","","Dhieb, Abdelhamid Chiheb; Janzen, Daron E.; Rzaigui, Mohamed; Smirani Sta, Wajda","1-Phenylpiperazine-1,4-diium tetrachloridocobalt(II)","Acta Crystallographica Section E","2014","70","4","m139","","10.1107/S1600536814005790","","","0.71075","MoKα","","","0.0232","","","","0.0537","","","","","","1.138","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239197","7.1874","0.0003","21.1475","0.0008","26.5106","0.001","90","","91.407","0.004","90","","4028.3","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(3-Carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-1-ethylpiperazin-1-ium chloride dihydrate","","- C19 H27 Cl F N3 O5 -","- C19 H27 Cl F N3 O5 -","- C152 H216 Cl8 F8 N24 O40 -","8","2","IS5348","Miranda-Calderón, Jorge E.; Gutiérrez, Lilia; Flores-Alamo, Marcos; García-Gutiérrez, Ponciano; Sumano, Héctor","Enrofloxacin hydrochloride dihydrate","Acta Crystallographica Section E","2014","70","4","o468","o469","10.1107/S1600536814006059","","","0.71073","MoKα","","0.111","0.0581","","","0.1088","0.1319","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239198","9.2879","0.0002","39.273","0.0011","10.5592","0.0003","90","","90","","90","","3851.61","0.17","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","1,3,5-Tris(phthalimidomethyl)-2,4,6-tris(bromomethyl)benzene toluene monosolvate","2-{2,4,6-Tris(bromomethyl)-3,5-bis[(1,3-dioxoisoindolin-2-yl)methyl]benzyl}isoindoline-1,3-dione toluene monosolvate","","- C43 H32 Br3 N3 O6 -","- C43 H32 Br3 N3 O6 -","- C172 H128 Br12 N12 O24 -","4","1","","Koch, Niklas; Seichter, Wilhelm; Mazik, Monika","2-{2,4,6-Tris(bromomethyl)-3,5-bis[(1,3-dioxoisoindolin-2-yl)methyl]benzyl}isoindoline-1,3-dione toluene monosolvate","Acta Crystallographica Section E","2014","70","4","o393","o394","10.1107/S1600536814004383","","","0.71073","MoKα","","0.0296","0.0258","","","0.0565","0.0574","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239199","9.2899","0.0003","10.6863","0.0004","11.7826","0.0005","77.046","0.003","70.78","0.003","88.93","0.004","1074.47","0.07","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1-(Furan-2-yl)-2-(2<i>H</i>-indazol-2-yl)ethanone","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","2","SU2716","Özel Güven, Özden; Türk, Gökhan; Adler, Philip D. F.; Coles, Simon J.; Hökelek, Tuncer","1-(Furan-2-yl)-2-(2<i>H</i>-indazol-2-yl)ethanone","Acta Crystallographica Section E","2014","70","4","o505","","10.1107/S1600536814006606","","","0.71073","MoKα","","0.0552","0.0441","","","0.1195","0.127","","","","","","1.139","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239200","14.325","0.003","4.776","0.001","11.619","0.002","90","","103.82","0.03","90","","771.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(<i>N</i>-nitroso-<i>N</i>-pentylhydroxylaminato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C10 H22 Cu N4 O4 -","- C10 H22 Cu N4 O4 -","- C20 H44 Cu2 N8 O8 -","2","0.5","PJ2009","Sheikh Bostanabad, Ali; Kovalchukova, Olga; Strashnova, Svetlana; Stash, Adam; Zyuzin, Igor","Bis(<i>N</i>-nitroso-<i>N</i>-pentylhydroxylaminato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2014","70","4","m137","m138","10.1107/S1600536814004978","","","0.71073","MoKα","","0.1319","0.0255","","","0.0664","0.0729","","","","","","0.879","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239201","7.4406","0.0001","9.1291","0.0002","11.2073","0.0002","82.891","0.001","73.301","0.001","77.613","0.001","710.62","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Fluoro-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran","","- C16 H13 F O3 S -","- C16 H13 F O3 S -","- C32 H26 F2 O6 S2 -","2","1","BG2523","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Fluoro-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o482","","10.1107/S1600536814006321","","","0.71073","MoKα","","0.0418","0.0371","","","0.099","0.1028","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239202","7.3921","0.0002","10.2909","0.0003","11.8701","0.0003","68.867","0.001","89.146","0.001","71.361","0.001","792.91","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-3-ethylsulfinyl-7-methyl-2-(4-methylphenyl)-1-benzofuran","","- C18 H17 Br O2 S -","- C18 H17 Br O2 S -","- C36 H34 Br2 O4 S2 -","2","1","FJ2667","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-3-ethylsulfinyl-7-methyl-2-(4-methylphenyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o461","","10.1107/S1600536814005844","","","0.71073","MoKα","","0.0325","0.0285","","","0.0733","0.0755","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239203","7.1825","0.0009","17.9973","0.0015","19.41","0.003","90","","90","","90","","2509","0.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Dimethylammonium copper sulfate tetrahydrate","Dimethylammonium tetraaqua(hydrogensulfato)sulfatocuprate(II)","","- C2 H17 Cu N O12 S2 -","- C2 H17 Cu N O12 S2 -","- C16 H136 Cu8 N8 O96 S16 -","8","1","WM5006","Held, Peter","Dimethylammonium tetraaqua(hydrogensulfato)sulfatocuprate(II)","Acta Crystallographica Section E","2014","70","4","m119","","10.1107/S1600536814004486","","","0.71073","MoKα","","0.0921","0.032","","","0.0753","0.0917","","","","","","0.972","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239204","13.5738","0.0016","14.1207","0.0015","15.8419","0.0016","79.847","0.004","76.873","0.005","65.904","0.005","2687.5","0.5","147","2","147","2","","","","","","","","9","P -1","-P 1","2","","Bromido{<i>N</i>,<i>N</i>'-bis[2-(diphenylphosphanyl)ethan-1-ylidene]ethylenediamine}(<i>p</i>-toluenesulfonylmethyl isocyanide)iron(II) tetraphenylborate","","- C63 H59 B Br Fe N3 O2 P2 S -","- C63 H59 B Br Fe N3 O2 P2 S -","- C126 H118 B2 Br2 Fe2 N6 O4 P4 S2 -","2","1","IS5347","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","{<i>N</i>,<i>N</i>'-Bis[2-(diphenylphosphanyl)ethan-1-ylidene]ethylenediamine}bromido(<i>p</i>-toluenesulfonylmethyl isocyanide)iron(II) tetraphenylborate","Acta Crystallographica Section E","2014","70","4","m144","","10.1107/S1600536814005467","","","1.54178","CuKα","","0.0407","0.0335","","","0.0823","0.0864","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239205","5.3651","0.0003","24.7207","0.0015","8.684","0.0005","90","","90.17","0.002","90","","1151.75","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Glycinium 3-carboxy-4-hydroxybenzenesulfonate","","- C9 H11 N O8 S -","- C9 H11 N O8 S -","- C36 H44 N4 O32 S4 -","4","1","IS5343","Thirunavukkarasu, A.; Silambarasan, A.; Kumar, R. Mohan; Umarani, P. R.; Chakkaravarthi, G.","Glycinium 3-carboxy-4-hydroxybenzenesulfonate","Acta Crystallographica Section E","2014","70","4","o397","","10.1107/S1600536814004590","","","0.71073","MoKα","","0.0563","0.0492","","","0.1132","0.1166","","","","","","1.2","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239206","8.6","0.005","5.728","0.003","22.288","0.012","90","","100.646","0.006","90","","1079","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-3-(pyridin-3-yl)-1,2,4-triazolido-κ<i>N</i>^1^]zinc","","- C22 H18 N12 O2 Zn -","- C22 H18 N12 O2 Zn -","- C44 H36 N24 O4 Zn2 -","2","0.5","","Wang, Ye-Nan; Dong, Wen-Wen","Diaquabis[5-(pyrazin-2-yl-κ<i>N</i>^1^)-3-(pyridin-3-yl)-1,2,4-triazolido-κ<i>N</i>^1^]zinc","Acta Crystallographica Section E","2014","70","4","m116","","10.1107/S1600536814004176","","","0.71073","MoKα","","0.0396","0.0367","","","0.1067","0.1096","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239207","9.6137","0.0008","10.9317","0.0009","8.4911","0.0007","90","","102.522","0.002","90","","871.14","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dioxopyrrolidin-1-yl 2-methylprop-2-enoate","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","1","ZQ2217","Pearson, Wayne H.; Lin, Shirley; Isaacs, Lyle","2,5-Dioxopyrrolidin-1-yl 2-methylprop-2-enoate","Acta Crystallographica Section E","2014","70","4","o446","","10.1107/S1600536814005170","","","0.71073","MoKα","","0.045","0.0362","","","0.0797","0.0848","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239208","8.928","0.0002","10.5695","0.0003","21.062","0.0005","90","","92.165","0.002","90","","1986.09","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium 7,12-dicyano-1-carba-<i>closo</i>-dodecaborate","","- C11 H30 B11 N3 -","- C11 H30 B11 N3 -","- C44 H120 B44 N12 -","4","1","LR2122","Juhasz, Marcus A.; Juers, Douglas H.; Dwulet, Gregory E.; Rosenbaum, Aaron J.","Tetraethylammonium 7,12-dicyano-1-carba-<i>closo</i>-dodecaborate","Acta Crystallographica Section E","2014","70","4","o411","o412","10.1107/S1600536814004759","","","1.5418","CuKα","","0.0482","0.0417","","","0.115","0.1233","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239209","18.7483","0.0008","15.0824","0.0007","12.1143","0.0006","90","","100.202","0.002","90","","3371.4","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[4-amino-<i>N</i>-(4-methylpyrimidin-2-yl-κ<i>N</i>^3^)benzenesulfonamidato-κ<i>N</i>](2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')mercury(II)","","- C32 H30 Hg N10 O4 S2 -","- C32 H30 Hg N10 O4 S2 -","- C128 H120 Hg4 N40 O16 S8 -","4","0.5","HB7201","Hossain, G. M. Golzar; Amoroso, A. J.","Bis[4-amino-<i>N</i>-(4-methylpyrimidin-2-yl-κ<i>N</i>^3^)benzenesulfonamidato-κ<i>N</i>](2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')mercury(II)","Acta Crystallographica Section E","2014","70","4","m127","m128","10.1107/S1600536814004760","","","0.71073","MoKα","","0.0498","0.0392","","","0.0712","0.0739","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239210","21.5717","0.0017","6.1097","0.0005","17.0838","0.0014","90","","93.222","0.0017","90","","2248","0.3","100","0.5","100","0.5","","","","","","","","5","C 1 2 1","C 2y","5","weixch01","Bis{(<i>R</i>)-<i>N</i>-[(<i>R</i>)-2-benzyloxy-1-(4-<i>tert</i>-butylphenyl)ethyl]-2-methylpropane-2-sulfinamide} monohydrate","","- C23 H34 N O2.5 S -","- C23 H34 N O2.5 S -","- C92 H136 N4 O10 S4 -","4","1","GK2604","Humes, Charlotte L.; Banker, Tyler J.; Dorn, Stephanie C. M.; Shanahan, James P.; Brennessel, William W.; Weix, Daniel J.","Bis{(<i>R</i>)-<i>N</i>-[(<i>R</i>)-2-benzyloxy-1-(4-<i>tert</i>-butylphenyl)ethyl]-2-methylpropane-2-sulfinamide} monohydrate","Acta Crystallographica Section E","2014","70","4","o405","o406","10.1107/S1600536814004589","","","0.71073","MoKα","","0.0741","0.0504","","","0.0999","0.1101","","","","","","1.012","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2239211","9.583","0.0009","10.2662","0.0008","13.3792","0.0016","94.648","0.012","91.548","0.013","108.013","0.01","1245.7","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","7-Isopropylidene-<i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-tetramethoxy-<i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-tetramethylbicyclo[2.2.1]hepta-2,5-diene-2,3,5,6-tetracarboxamide","","- C22 H32 N4 O8 -","- C22 H32 N4 O8 -","- C44 H64 N8 O16 -","2","1","","Sahlmann, Benjamin; Näther, Christian; Herges, Rainer","7-Isopropylidene-<i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-tetramethoxy-<i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-tetramethylbicyclo[2.2.1]hepta-2,5-diene-2,3,5,6-tetracarboxamide","Acta Crystallographica Section E","2014","70","4","o438","","10.1107/S1600536814004255","","","0.71073","MoKα","","0.0683","0.0446","","","0.1085","0.1194","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239212","12.0523","0.0015","6.6997","0.0008","23.918","0.003","90","","91.018","0.002","90","","1931","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Ferrocenyl-6-(3-nitrophenyl)quinoline","","- C25 H18 Fe N2 O2 -","- C25 H18 Fe N2 O2 -","- C100 H72 Fe4 N8 O8 -","4","1","FJ2663","Yuan, Xiao-Er; Shi, Guo-Qing; Geng, Xin; Hao, Xin-Qi; Song, Mao-Ping","2-Ferrocenyl-6-(3-nitrophenyl)quinoline","Acta Crystallographica Section E","2014","70","4","m129","","10.1107/S1600536814004899","","","0.71073","MoKα","","0.0572","0.0373","","","0.0814","0.0922","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239213","5.4427","0.0007","8.2488","0.001","12.4701","0.0014","98.901","0.009","92.04","0.01","91.69","0.01","552.41","0.12","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-{[(Furan-2-ylmethyl)imino]methyl}-4-nitrophenol","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C24 H20 N4 O8 -","2","1","LH5694","Hijji, Yousef; Azemati, Samira; Butcher, Ray J.; Jasinski, Jerry P.","(<i>E</i>)-2-{[(Furan-2-ylmethyl)imino]methyl}-4-nitrophenol","Acta Crystallographica Section E","2014","70","4","o451","o452","10.1107/S1600536814005583","","","1.54178","CuKα","","0.0439","0.0416","","","0.1184","0.122","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239214","21.0215","0.0015","5.6564","0.0005","28.785","0.002","90","","110.543","0.003","90","","3205.1","0.4","147","2","147","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","3-Methoxy-2-[5-(naphthalen-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-3-yl]phenol","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C160 H144 N16 O16 -","8","2","IS5346","Koh, Dongsoo; Lim, Yoongho; Lough, Alan J.","3-Methoxy-2-[5-(naphthalen-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-3-yl]phenol","Acta Crystallographica Section E","2014","70","4","o464","","10.1107/S1600536814005972","","","1.54178","CuKα","","0.0424","0.0365","","","0.0941","0.0971","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239215","4.984","0.002","11.598","0.005","14.578","0.008","90","","98.387","0.002","90","","833.7","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3'-Bis(chloromethyl)-4,4'-diethoxy-1,1'-biphenyl","","- C18 H20 Cl2 O2 -","- C18 H20 Cl2 O2 -","- C36 H40 Cl4 O4 -","2","0.5","","Trad, Hager; Belkhiria, Mohamed Salah; Majdoub, Mustapha","3,3'-Bis(chloromethyl)-4,4'-diethoxy-1,1'-biphenyl","Acta Crystallographica Section E","2014","70","4","o387","","10.1107/S1600536814004528","","","0.71073","MoKα","","0.0957","0.0484","","","0.1331","0.1485","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239216","6.2336","0.0001","11.0353","0.0002","12.9149","0.0002","69.384","0.001","76.421","0.001","76.799","0.001","797.84","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-2,4,6-trimethyl-3-(3-methylphenylsulfinyl)-1-benzofuran","","- C18 H17 Br O2 S -","- C18 H17 Br O2 S -","- C36 H34 Br2 O4 S2 -","2","1","BX2455","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2,4,6-trimethyl-3-(3-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o435","","10.1107/S1600536814005352","","","0.71073","MoKα","","0.029","0.026","","","0.068","0.0697","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239217","6.6088","0.0006","10.1483","0.0008","26.813","0.002","90","","90","","90","","1798.3","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(3-{(3<i>R</i>,4<i>R</i>)-4-Methyl-3-[methyl(7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4-yl)amino]piperidin-1-yl}oxetan-3-yl)acetonitrile monohydrate","","- C18 H26 N6 O2 -","- C18 H26 N6 O2 -","- C72 H104 N24 O8 -","4","1","","Gehringer, Matthias; Pfaffenrot, Ellen; Keck, Peter R. W. E. F.; Schollmeyer, Dieter; Laufer, Stefan A.","2-(3-{(3<i>R</i>,4<i>R</i>)-4-Methyl-3-[methyl(7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4-yl)amino]piperidin-1-yl}oxetan-3-yl)acetonitrile monohydrate","Acta Crystallographica Section E","2014","70","4","o382","o383","10.1107/S1600536814004449","","","0.71073","MoKα","","0.1784","0.0623","","","0.1132","0.1504","","","","","","0.904","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239218","18.7514","0.0003","9.608","0.00015","18.4367","0.0003","90","","105.245","0.0016","90","","3204.73","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triphenyltellurium chloride","","- C18 H15 Cl Te -","- C18 H15 Cl Te -","- C144 H120 Cl8 Te8 -","8","2","JJ2184","Chopra, Ambika; Jain, Shalini; Srivastava, Sanjay K.; Gupta, Sushil K.; Butcher, Ray J.","Triphenyltellurium chloride","Acta Crystallographica Section E","2014","70","4","o421","o422","10.1107/S160053681400498X","","","1.54184","CuKα","","0.0392","0.0336","","","0.075","0.0773","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239219","12.49","0.0007","14.0338","0.0008","14.5693","0.0009","73.389","0.005","76.324","0.005","78.609","0.005","2354.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diisopropyl [(4-methoxybenzamido)(<i>p</i>-tolyl)methyl]phosphonate","","- C22 H30 N O5 P -","- C22 H30 N O5 P -","- C88 H120 N4 O20 P4 -","4","2","LH5691","Fang, Hua; Wang, Guang-Qin; Chen, Wei-Zhu; Yi, Rui-Zao; Hong, Zhuan","Diisopropyl [(4-methoxybenzamido)(<i>p</i>-tolyl)methyl]phosphonate","Acta Crystallographica Section E","2014","70","4","o428","","10.1107/S1600536814004413","","","0.71073","MoKα","","0.1112","0.0666","","","0.1875","0.2372","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239220","8.197","0.002","8.4527","0.0015","11.835","0.003","88.774","0.001","85.484","0.003","76.422","0.002","794.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-5-(3,4,5-Trimethoxystyryl)-2,3-dihydrothieno[3,4-<i>b</i>][1,4]dioxine","","- C17 H18 O5 S -","- C17 H18 O5 S -","- C34 H36 O10 S2 -","2","1","","Liu, Yu-Tao; Chu, Gang","(<i>Z</i>)-5-(3,4,5-Trimethoxystyryl)-2,3-dihydrothieno[3,4-<i>b</i>][1,4]dioxine","Acta Crystallographica Section E","2014","70","4","o384","","10.1107/S1600536814004437","","","0.71073","MoKα","","0.0696","0.0658","","","0.1743","0.1794","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239221","13.9256","0.0015","10.3003","0.001","21.8075","0.0019","90","","107.734","0.002","90","","2979.4","0.5","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Bis(μ-nitrato-κ^2^<i>O</i>:<i>O</i>)bis{[1,2-bis(diisopropylphosphanyl)-1,2-dicarba-<i>closo</i>-dodecaborane-κ^2^<i>P</i>,<i>P</i>']silver(I)} dichloromethane disolvate","","- C30 H80 Ag2 B20 Cl4 N2 O6 P4 -","- C30 H80 Ag2 B20 Cl4 N2 O6 P4 -","- C60 H160 Ag4 B40 Cl8 N4 O12 P8 -","2","0.5","RZ5111","Yang, Liguo","Bis(μ-nitrato-κ^2^<i>O</i>:<i>O</i>)bis{[1,2-bis(diisopropylphosphanyl)-1,2-dicarba-<i>closo</i>-dodecaborane-κ^2^<i>P</i>,<i>P</i>']silver(I)} dichloromethane disolvate","Acta Crystallographica Section E","2014","70","4","m141","","10.1107/S1600536814006084","","","0.71073","MoKα","","0.0571","0.0341","","","0.0754","0.0911","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239222","9.41","0.005","12.064","0.005","14.804","0.004","90","","109.01","0.02","90","","1588.9","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-Dinitro-1,1'-(ethane-1,2-diyl)di(1<i>H</i>-indazole)","","- C16 H12 N6 O4 -","- C16 H12 N6 O4 -","- C64 H48 N24 O16 -","4","1","RZ5107","Kouakou, Assoman; Rakib, El Mostapha; El Malki, Abdelghani; Saadi, Mohamed; El Ammari, Lahcen","6,6'-Dinitro-1,1'-(ethane-1,2-diyl)di(1<i>H</i>-indazole)","Acta Crystallographica Section E","2014","70","4","o390","","10.1107/S1600536814004516","","","0.71073","MoKα","","0.0561","0.0394","","","0.0996","0.1108","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239223","5.5609","0.0002","9.2012","0.0004","9.2305","0.0004","90.245","0.002","98.5","0.002","100.038","0.002","459.74","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-5-nitropyridinium hydrogen oxalate","","- C7 H7 N3 O6 -","- C7 H7 N3 O6 -","- C14 H14 N6 O12 -","2","1","JJ2183","Rajkumar, M. Ambrose; Xavier, S. Stanly John; Anbarasu, S.; Devarajan, Prem Anand; NizamMohideen, M.","2-Amino-5-nitropyridinium hydrogen oxalate","Acta Crystallographica Section E","2014","70","4","o473","o474","10.1107/S160053681400525X","","","0.71073","MoKα","","0.0442","0.0387","","","0.1021","0.11","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239224","11.91","0.004","3.85","0.0012","20.817","0.006","90","","95.69","0.03","90","","949.8","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,8-Dibromo-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H4 Br2 O3 -","- C10 H4 Br2 O3 -","- C40 H16 Br8 O12 -","4","1","","Ishikawa, Yoshinobu","6,8-Dibromo-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","4","o439","","10.1107/S1600536814005327","","","0.71069","MoKα","","","0.0191","","","","0.0446","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239225","9.1927","0.0005","12.4711","0.0007","18.9806","0.0011","90","","90","","90","","2176","0.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>^1^,<i>N</i>^4^-Diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine","","- C30 H24 N4 -","- C30 H24 N4 -","- C120 H96 N16 -","4","0.5","XU5776","Ohno, Keiji; Fujihara, Takashi; Nagasawa, Akira","An orthorhombic polymorph of <i>N</i>^1^,<i>N</i>^4^-diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine","Acta Crystallographica Section E","2014","70","4","o495","o496","10.1107/S1600536814006254","","","0.71073","MoKα","","0.0521","0.0463","","","0.1281","0.1326","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239226","14.5354","0.0002","7.3529","0.0001","18.1945","0.0003","90","","98.591","0.001","90","","1922.76","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Ethyl-3-[(<i>R</i>)-2-phenylbutanamido]quinazolin-4(3<i>H</i>)-one monohydrate","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Jones, D. Heulyn; Kariuki, Benson M.","2-Ethyl-3-[(<i>R</i>)-2-phenylbutanamido]quinazolin-4(3<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2014","70","4","o467","","10.1107/S1600536814005996","","","1.54184","CuKα","","0.0448","0.0399","","","0.1106","0.1157","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239227","18.2293","0.0007","6.1955","0.0003","15.9471","0.0008","90","","90","","90","","1801.06","0.14","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-Cyclopentyl-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C84 H88 O12 S4 -","4","1","LD2123","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclopentyl-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o481","","10.1107/S1600536814006187","","","0.71073","MoKα","","0.0517","0.0446","","","0.108","0.1131","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239228","11.7213","0.0004","11.8991","0.0004","7.3025","0.0003","90","","103.523","0.001","90","","990.26","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methyl-2-methylsulfanyl-6-nitro-1<i>H</i>-benzimidazole","","- C9 H9 N3 O2 S -","- C9 H9 N3 O2 S -","- C36 H36 N12 O8 S4 -","4","1","TK5298","El Ghozlani, Mohamed; Rakib, El Mostapha; Medaghri-Alaoui, Abdelouahid; Saadi, Mohamed; El Ammari, Lahcen","1-Methyl-2-methylsulfanyl-6-nitro-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2014","70","4","o407","","10.1107/S1600536814004723","","","0.71073","MoKα","","0.0462","0.0386","","","0.1079","0.1156","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239229","10.5563","0.001","5.7548","0.0005","11.7096","0.0013","90","","92.777","0.008","90","","710.52","0.12","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1<i>S</i>,3<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-9,10-Epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane","","- C16 H26 O -","- C16 H26 O -","- C32 H52 O2 -","2","1","","Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed","(1<i>S</i>,3<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-9,10-Epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane","Acta Crystallographica Section E","2014","70","4","o480","","10.1107/S1600536814006230","","","0.71073","MoKα","","0.085","0.054","","","0.0867","0.1049","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239230","9.0481","0.0002","10.5301","0.0002","10.6312","0.0002","106.025","0.001","92.561","0.001","110.852","0.001","898.19","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Cyclohexyl-3-(2-fluorophenylsulfonyl)-2-methyl-1-benzofuran","","- C21 H21 F O3 S -","- C21 H21 F O3 S -","- C42 H42 F2 O6 S2 -","2","1","ZS2290","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-3-(2-fluorophenylsulfonyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o466","","10.1107/S1600536814005960","","","0.71073","MoKα","","0.0442","0.0395","","","0.1051","0.109","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239231","6.1743","0.0004","7.0512","0.0003","14.2222","0.0008","101.727","0.003","92.191","0.002","104.758","0.004","583.6","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-Carboxylatopyridinium‒4-nitrophenol (1/1)","","- C12 H10 N2 O5 -","- C12 H10 N2 O5 -","- C24 H20 N4 O10 -","2","1","HB7209","Sankar, A.; Ambalatharasu, S.; Peramaiyan, G.; Chakkaravarthi, G.; Kanagadurai, R.","2-Carboxylatopyridinium‒4-nitrophenol (1/1)","Acta Crystallographica Section E","2014","70","4","o450","","10.1107/S1600536814005650","","","0.71073","MoKα","","0.0693","0.0447","","","0.1141","0.13","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239232","10.35","0.002","13.916","0.003","14.34","0.003","65.785","0.004","73.421","0.004","87.213","0.005","1799.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,6-Dihydroxy-4-oxo-2-(pyridin-1-ium-3-yl)-4<i>H</i>-1,3,2-benzodioxaborinin-2-ide 0.67-hydrate","","- C12 H11.33 B N O5.67 -","- C12 H11.3333 B N O5.66667 -","- C72 H68 B6 N6 O34 -","6","3","","Garcia-Grajeda, Blanca A.; Höpfl, Herbert; Guerrero-Alvarez, Jorge A.; Campos-Gaxiola, José J.; Cruz-Enríquez, Adriana","2,6-Dihydroxy-4-oxo-2-(pyridin-1-ium-3-yl)-4<i>H</i>-1,3,2-benzodioxaborinin-2-ide 0.67-hydrate","Acta Crystallographica Section E","2014","70","4","o388","o389","10.1107/S1600536814004267","","","0.71073","MoKα","","0.1153","0.053","","","0.0855","0.092","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239233","9.26395","0.00015","14.2886","0.0002","13.6476","0.0002","90","","96.7581","0.0015","90","","1793.97","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{2-[(2-Hydroxy-benzylidene)-amino]-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl}- phenyl-methanone","{2-[(2-Hydroxybenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","SJ5393","Kaur, Manpreet; Jasinski, Jerry P.; Kavitha, Channappa N.; Yathirajan, H.S.; Byrappa, K.","{2-[(2-Hydroxybenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone","Acta Crystallographica Section E","2014","70","4","o476","o477","10.1107/S1600536814006199","","","1.54184","CuKα","","0.0531","0.0491","","","0.1367","0.1419","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239234","17.3871","0.0007","12.5318","0.0005","8.4297","0.0003","90","","99.103","0.002","90","","1813.63","0.12","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>tert</i>-Butyl 2-{[5-(4-cyanophenyl)pyridin-3-yl]sulfonyl}acetate","","- C18 H18 N2 O4 S -","- C18 H18 N2 O4 S -","- C72 H72 N8 O16 S4 -","4","1","","Devarajegowda, H. C.; Palakshamurthy, B. S.; Manojkumar, K. E.; Sreenivasa, S.","<i>tert</i>-Butyl 2-{[5-(4-cyanophenyl)pyridin-3-yl]sulfonyl}acetate","Acta Crystallographica Section E","2014","70","4","o415","","10.1107/S160053681400511X","","","0.71073","MoKα","","0.0478","0.0381","","","0.1075","0.1128","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239235","26.691","0.004","7.5135","0.0007","19.361","0.002","90","","125.412","0.008","90","","3164.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>''-(4-Methoxyphenyl)-<i>N</i>,<i>N</i>,<i>N</i>'-trimethyl-<i>N</i>'-phenylguanidine","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C136 H168 N24 O8 -","8","1","KP2467","Tiritiris, Ioannis; Frey, Wolfgang; Kantlehner, Willi","<i>N</i>''-(4-Methoxyphenyl)-<i>N</i>,<i>N</i>,<i>N</i>'-trimethyl-<i>N</i>'-phenylguanidine","Acta Crystallographica Section E","2014","70","4","o460","","10.1107/S1600536814005819","","","0.71073","MoKα","","0.0745","0.0547","","","0.1481","0.1609","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239236","13.6796","0.0013","9.6144","0.0008","14.8093","0.0015","90","","98.305","0.003","90","","1927.3","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Bromo-2-(5-bromothiophen-2-yl)-1-[(5-bromothiophen-2-yl)methyl]-5,6-dimethyl-1<i>H</i>-benzimidazole","","- C18 H13 Br3 N2 S2 -","- C18 H13 Br3 N2 S2 -","- C72 H52 Br12 N8 S8 -","4","1","RZ5112","Geiger, H. Cristina; Donohoe, James S.; Geiger, David K.","4-Bromo-2-(5-bromothiophen-2-yl)-1-[(5-bromothiophen-2-yl)methyl]-5,6-dimethyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2014","70","4","o486","o487","10.1107/S160053681400628X","","","0.71073","MoKa","","0.0739","0.0557","","","0.1675","0.1793","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239237","19.487","0.002","18.049","0.003","25.216","0.002","90","","100.22","0.03","90","","8728","2","295","","295","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Bis[tris(phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] undecatungsto(VI)vanado(V)phosphate dihydrate","","- C72 H52 Co2 N12 O42 P V W11 -","- C72 H52 Co2 N12 O42 P V W11 -","- C288 H208 Co8 N48 O168 P4 V4 W44 -","4","0.5","HB7203","Hajsalem, Assia; Aoun, Sameh; Planchat, Aurelien; Rzaigui, Mohamed; Toumi, Samah Akriche","Bis[tris(phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] undecatungsto(VI)vanado(V)phosphate dihydrate","Acta Crystallographica Section E","2014","70","4","m125","m126","10.1107/S160053681400484X","","","0.71073","MoKα","","0.0865","0.0536","","","0.0859","0.095","","","","","","1.161","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239238","17.2597","0.0006","13.5463","0.0004","18.9683","0.0007","90","","90","","90","","4434.9","0.3","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-<i>N</i>-(2-chlorobenzoyl)-<i>N</i>-(2-ethyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide","","- C24 H17 Cl2 N3 O3 -","- C24 H17 Cl2 N3 O3 -","- C192 H136 Cl16 N24 O24 -","8","1","BT6969","Bakare, Oladapo; Thompson, Candice; Brandy, Yakini; Butcher, Ray J.","2-Chloro-<i>N</i>-(2-chlorobenzoyl)-<i>N</i>-(2-ethyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide","Acta Crystallographica Section E","2014","70","4","o503","o504","10.1107/S1600536814006035","","","0.71073","MoKα","","0.2096","0.0438","","","0.058","0.0788","","","","","","0.771","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239239","7.1072","0.0007","8.812","0.0008","10.433","0.0009","106.501","0.009","105.361","0.009","102.756","0.008","572.31","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Disodium dimanganese(II) tris[orthomolybdate(VI)]","","- Mn2.17 Mo3 Na1.67 O12 -","- Mn2.171 Mo3 Na1.67 O12 -","- Mn4.342 Mo6 Na3.34 O24 -","2","1","WM5009","Bouzidi, Chahira; Zid, Mohamed Faouzi; Driss, Ahmed; Frigui, Wafa","Na1.67Mn2.17(MoO4)3","Acta Crystallographica Section E Structure Reports Online","2014","70","4","i18","","10.1107/S160053681400614X","","","0.71073","MoKα","","0.0353","0.0298","","","0.0801","0.0829","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239240","8.3976","0.0006","13.7584","0.0009","21.7971","0.0012","90","","90","","90","","2518.4","0.3","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde","","- C28 H22 N2 O8 S -","- C28 H22 N2 O8 S -","- C112 H88 N8 O32 S4 -","4","1","RK2423","Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde","Acta Crystallographica Section E","2014","70","4","o424","o425","10.1107/S1600536814005133","","","0.71073","MoKα","","0.0666","0.0427","","","0.1018","0.1146","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239241","7.3023","0.0007","14.4031","0.0017","12.6422","0.0013","90","","94.842","0.003","90","","1324.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-(3-Fluoropyridin-2-yl)methylidene]pyridine-3-carbohydrazide dihydrate","","- C12 H13 F N4 O3 -","- C12 H13 F N4 O3 -","- C48 H52 F4 N16 O12 -","4","1","","Nair, Yamuna; Sithambaresan, M.; Nair, S. Muraleedharan; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-(3-Fluoropyridin-2-yl)methylidene]pyridine-3-carbohydrazide dihydrate","Acta Crystallographica Section E","2014","70","4","o483","o484","10.1107/S1600536814006072","","","0.71073","MoKα","","0.0677","0.0481","","","0.1302","0.149","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239242","22.006","0.002","22.006","0.002","23.276","0.002","90","","90","","120","","9761.6","1.5","110","2","110","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","Tetra-μ~3~-iodido-tetrakis[(tri-<i>n</i>-butylphosphane-κ<i>P</i>)copper(I)]","","- C48 H108 Cu4 I4 P4 -","- C48 H108 Cu4 I4 P4 -","- C288 H648 Cu24 I24 P24 -","6","1","HP2064","Klenk, Simon; Frey, Wolfgang; Bubrin, Martina; Laschat, Sabine","Tetra-μ~3~-iodido-tetrakis[(tri-<i>n</i>-butylphosphane-κ<i>P</i>)copper(I)]","Acta Crystallographica Section E","2014","70","4","m117","m118","10.1107/S1600536814003390","","","0.71073","MoKα","","0.0755","0.0459","","","0.0887","0.0986","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239243","8.793","0.005","9.229","0.005","10.861","0.006","86.105","0.016","69.582","0.017","80.55","0.016","814.7","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-2,4,6-trimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran","","- C18 H17 Br O2 S -","- C18 H17 Br O2 S -","- C36 H34 Br2 O4 S2 -","2","1","XU5773","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2,4,6-trimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o381","","10.1107/S1600536814004310","","","0.71073","MoKα","","0.0726","0.0621","","","0.1631","0.1771","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239244","10.6534","0.0002","11.6791","0.0002","12.5591","0.0002","68.488","0.001","86.537","0.001","86.693","0.001","1450.06","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","5,8-Bis(dipyridin-2-ylamino)-<i>s</i>-heptazin-2-one dimethyl sulfoxide monosolvate dihydrate","5,8-Bis[bis(pyridin-2-yl)amino]-1,3,4,6,7,9,9b-heptaazaphenalen-2(1<i>H</i>)-one dimethyl sulfoxide monosolvate dihydrate","","- C28 H27 N13 O4 S -","- C28 H27 N13 O4 S -","- C56 H54 N26 O8 S2 -","2","1","SU2711","Schwarzer, Anke; Kroke, Edwin","5,8-Bis[bis(pyridin-2-yl)amino]-1,3,4,6,7,9,9b-heptaazaphenalen-2(1<i>H</i>)-one dimethyl sulfoxide monosolvate dihydrate","Acta Crystallographica Section E","2014","70","4","o456","o457","10.1107/S1600536814005698","","","0.71073","MoKα","","0.0591","0.0393","","","0.1047","0.1152","","","","","","0.967","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239245","14.799","0.004","9.606","0.003","22.492","0.006","90","","98.736","0.005","90","","3160.3","1.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,3-Diphenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one","","- C20 H15 N O S -","- C20 H15 N O S -","- C160 H120 N8 O8 S8 -","8","1","FY2112","Yennawar, Hemant P.; Bendinsky, Ryan V.; Coyle, David J.; Cali, Aaron S.; Silverberg, Lee J.","2,3-Diphenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one","Acta Crystallographica Section E","2014","70","4","o465","","10.1107/S1600536814005881","","","0.71073","MoKα","","0.0606","0.0506","","","0.1205","0.1268","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239246","6.628","0.007","11.029","0.018","12.544","0.018","105.34","0.12","96.94","0.1","95.88","0.1","869","2","100","","100","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3,4,5-Trimethoxy-<i>N</i>'-[(4-oxo-4<i>H</i>-chromen-3-yl)methylidene]benzohydrazide","","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","- C40 H36 N4 O12 -","2","1","","Ishikawa, Yoshinobu; Watanabe, Kohzoh","(<i>E</i>)-3,4,5-Trimethoxy-<i>N</i>'-[(4-oxo-4<i>H</i>-chromen-3-yl)methylidene]benzohydrazide","Acta Crystallographica Section E","2014","70","4","o472","","10.1107/S1600536814005753","","","0.71069","MoKα","","","0.0684","","","","0.208","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239247","9.447","0.0007","17.585","0.0009","22.8714","0.0012","90","","90","","90","","3799.5","0.4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1,5-Bis(2-hydroxy-3-methoxybenzylidene)carbonohydrazide methanol 0.47-solvate","","- C17.47 H19.87 N4 O5.47 -","- C17.468 H19.872 N4 O5.468 -","- C139.744 H158.976 N32 O43.744 -","8","0.5","GK2603","Sow, Mouhamadou Moustapha; Diouf, Ousmane; Seck, Matar; Barry, Aliou Hamady; Gaye, Mohamed","1,5-Bis(2-hydroxy-3-methoxybenzylidene)carbonohydrazide methanol 0.47-solvate","Acta Crystallographica Section E","2014","70","4","o423","","10.1107/S1600536814004802","","","0.71073","MoKα","","0.0806","0.0436","","","0.0893","0.1105","","","","","","1.247","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239248","13.663","0.001","13.667","0.001","13.727","0.001","90","","113.01","0.01","90","","2359.3","0.3","293","1","293","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2,6-Bis[(pyridin-2-yl)sulfanylmethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}(η^3^-prop-2-enyl)palladium(II) hexafluorophosphate","","- C20 H20 F6 N3 P Pd S2 -","- C20 H20 F6 N3 P Pd S2 -","- C80 H80 F24 N12 P4 Pd4 S8 -","4","1","","Bruno, Giuseppe; Nicolò, Francesco; Tresoldi, Giuseppe; Drommi, Dario; Mollica Nardo, Viviana","{2,6-Bis[(pyridin-2-yl)sulfanylmethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}(η^3^-prop-2-enyl)palladium(II) hexafluorophosphate","Acta Crystallographica Section E","2014","70","4","m134","m135","10.1107/S1600536814003961","","","0.71073","MoKα","","0.042","0.0379","","","0.1046","0.1138","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239249","12.6009","0.0013","10.7458","0.0011","14.8937","0.0016","90","","111.954","0.002","90","","1870.5","0.3","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (2<i>Z</i>)-2-[(2-formyl-3-methyl-1<i>H</i>-indol-1-yl)methyl]-3-(4-methoxyphenyl)prop-2-enoate","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","ZQ2219","Selvanayagam, S.; Sridhar, B.; Kathiravan, S.; Raghunathan, R.","Methyl (2<i>Z</i>)-2-[(2-formyl-3-methyl-1<i>H</i>-indol-1-yl)methyl]-3-(4-methoxyphenyl)prop-2-enoate","Acta Crystallographica Section E","2014","70","4","o431","o432","10.1107/S1600536814005261","","","0.71073","MoKα","","0.0748","0.0521","","","0.1297","0.1432","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239250","7.9131","0.0011","11.4929","0.0015","13.5627","0.0018","86.105","0.011","79.29","0.011","85.566","0.011","1206.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis{2-[(pyridin-2-yl)methylideneamino]benzoato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}chromium(III) nitrate monohydrate","","- C26 H20 Cr N5 O8 -","- C26 H18 Cr N5 O8 -","- C52 H36 Cr2 N10 O16 -","2","1","TK5300","Buvaylo, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Bis{2-[(pyridin-2-yl)methylideneamino]benzoato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}chromium(III) nitrate monohydrate","Acta Crystallographica Section E","2014","70","4","m136","","10.1107/S1600536814005649","","","1.54178","CuKα","","0.0976","0.0568","","","0.1186","0.1357","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239251","14.05","0.005","11.971","0.005","9.161","0.005","90","","93.718","0.005","90","","1537.6","1.2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-methoxybenzylammonium) diaquabis(dihydrogen diphosphato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) dihydrate","","- C16 H36 Co N2 O20 P4 -","- C16 H36 Co N2 O20 P4 -","- C32 H72 Co2 N4 O40 P8 -","2","0.5","WM5011","Elboulali, Adel; Selmi, Ahmed; Ratel-Ramond, Nicolas; Rzaigui, Mohamed; Akriche, Samah Toumi","Bis(2-methoxybenzylammonium) diaquabis(dihydrogen diphosphato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) dihydrate","Acta Crystallographica Section E","2014","70","4","m145","m146","10.1107/S1600536814006102","","","0.71073","MoKα","","0.1399","0.0958","","","0.2308","0.2658","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239252","11.6376","0.0005","14.6648","0.0006","13.91","0.0006","90","","96.024","0.001","90","","2360.81","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-6-methylpyridinium 2,2,2-trichloroacetate","","- C8 H9 Cl3 N2 O2 -","- C8 H9 Cl3 N2 O2 -","- C64 H72 Cl24 N16 O16 -","8","2","SU2705","Babu, K. Syed Suresh; Peramaiyan, G.; NizamMohideen, M.; Mohan, R.","2-Amino-6-methylpyridinium 2,2,2-trichloroacetate","Acta Crystallographica Section E","2014","70","4","o391","o392","10.1107/S1600536814004553","","","0.71073","MoKα","","0.0738","0.0459","","","0.1105","0.1291","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239253","13.5013","0.0019","14.042","0.002","17.213","0.003","90","","90","","90","","3263.3","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(1<i>S</i>,6<i>R</i>,7<i>S</i>,9<i>R</i>)-8,8-Dibromo-5,5,9-trimethyltricyclo[4.4.0.1^7,9^]decan-1-yl]ethanone","","- C16 H24 Br2 O -","- C16 H24 Br2 O -","- C128 H192 Br16 O8 -","8","2","BT6967","Zaki, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","1-[(1<i>S</i>,6<i>R</i>,7<i>S</i>,9<i>R</i>)-8,8-Dibromo-5,5,9-trimethyltricyclo[4.4.0.1^7,9^]decan-1-yl]ethanone","Acta Crystallographica Section E","2014","70","4","o444","","10.1107/S1600536814005431","","","0.71073","MoKα","","0.0497","0.0313","","","0.0552","0.0595","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239254","19.144","0.0013","8.9363","0.0006","9.1111","0.0003","90","","90","","90","","1558.7","0.16","295","","295","","","","","","","","","4","P c a 21","P 2c -2ac","29","3-Diphenylaminoisobenzofuran-1(3H)-one","3-(Diphenylamino)isobenzofuran-1(3<i>H</i>)-one","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C80 H60 N4 O8 -","4","1","TK5299","Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Abonia, Rodrigo; Ellena, Javier; Tenorio, Juan C.","3-(Diphenylamino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2014","70","4","o490","","10.1107/S1600536814006266","","","0.71073","MoKα","","0.0539","0.0409","","","0.0981","0.1061","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239255","4.3378","0.0007","7.069","0.0011","33.12","0.005","90","","92.727","0.002","90","","1014.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 5-iodo-2-methoxybenzoate","","- C9 H9 I O3 -","- C9 H9 I O3 -","- C36 H36 I4 O12 -","4","1","","Lundvall, Fredrik; Wragg, David Stephen; Dietzel, Pascal D. C.; Fjellvåg, Helmer","Methyl 5-iodo-2-methoxybenzoate","Acta Crystallographica Section E","2014","70","4","o462","","10.1107/S1600536814005868","","","0.71073","MoKα","","0.0342","0.0328","","","0.0782","0.0791","","","","","","1.166","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239256","9.9826","0.0005","15.8773","0.0007","12.2197","0.0006","90","","109.381","0.006","90","","1827.03","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[4-(Piperidin-1-yl)-5<i>H</i>-chromeno[2,3-<i>d</i>]pyrimidin-2-yl]phenol","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C88 H84 N12 O8 -","4","1","","Sharma, Naresh; Brahmachari, Goutam; Das, Suvankar; Kant, Rajni; Gupta, Vivek K.","2-[4-(Piperidin-1-yl)-5<i>H</i>-chromeno[2,3-<i>d</i>]pyrimidin-2-yl]phenol","Acta Crystallographica Section E","2014","70","4","o447","o448","10.1107/S1600536814005625","","","0.71073","MoKα","","0.1283","0.0595","","","0.1079","0.1328","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239257","9.553","0.005","4.962","0.003","12.706","0.005","90","","104.117","0.005","90","","584.1","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-Hydroxyisoquinolin-2-ium hydrogen succinate","1-Hydroxyisoquinolin-2-ium 3-carboxypropionate","","- C13 H13 N O5 -","- C13 H13 N O5 -","- C26 H26 N2 O10 -","2","1","IS5349","Ambalatharasu, S.; Sankar, A.; Peramaiyan, G.; Chakkaravarthi, G.; Kanagadurai, R.","1-Hydroxyisoquinolin-2-ium hydrogen succinate","Acta Crystallographica Section E","2014","70","4","o491","","10.1107/S1600536814006485","","","0.71073","MoKα","","0.059","0.053","","","0.1585","0.1685","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239258","11.2463","0.0004","17.7975","0.0009","14.6666","0.0007","90","","100.821","0.003","90","","2883.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Butoxymethylidene)dimethylazanium tetraphenylborate acetonitrile monosolvate","","- C33 H39 B N2 O -","- C33 H39 B N2 O -","- C132 H156 B4 N8 O4 -","4","1","KP2466","Tiritiris, Ioannis; Saur, Stefan; Kantlehner, Willi","(Butoxymethylidene)dimethylazanium tetraphenylborate acetonitrile monosolvate","Acta Crystallographica Section E","2014","70","4","o459","","10.1107/S1600536814005674","","","0.71073","MoKα","","0.0864","0.0489","","","0.106","0.1222","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239259","6.4453","0.0011","10.0228","0.0018","14.249","0.003","79.171","0.005","83.694","0.005","83.625","0.006","894.8","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","5,6-Dimethyl-2-(5-methylthiophen-2-yl)-1-[(5-methylthiophen-2-yl)methyl]-1<i>H</i>-benzimidazole","","- C20 H20 N2 S2 -","- C20 H20 N2 S2 -","- C40 H40 N4 S4 -","2","1","QK2065","Geiger, David K.; Isaac, Ava L.","5,6-Dimethyl-2-(5-methylthiophen-2-yl)-1-[(5-methylthiophen-2-yl)methyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2014","70","4","o488","o489","10.1107/S1600536814006333","","","0.71073","MoKα","","0.0607","0.0432","","","0.1108","0.1234","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239260","15.2399","0.0004","5.3814","0.0003","23.0461","0.0006","90","","90.871","0.003","90","","1889.84","0.13","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[2-(2,6-Dichlorobenzyloxy)-2-phenylethyl]-2<i>H</i>-indazole","","- C22 H18 Cl2 N2 O -","- C22 H18 Cl2 N2 O -","- C88 H72 Cl8 N8 O4 -","4","1","XU5774","Özel Güven, Özden; Türk, Gökhan; Adler, Philip D. F.; Coles, Simon J.; Hökelek, Tuncer","2-[2-(2,6-Dichlorobenzyloxy)-2-phenylethyl]-2<i>H</i>-indazole","Acta Crystallographica Section E","2014","70","4","o410","","10.1107/S1600536814004887","","","0.71073","MoKα","","0.0588","0.0428","","","0.1016","0.1094","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239261","14.344","0.002","25.993","0.005","6.7047","0.001","90","","117.472","0.002","90","","2217.9","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Benzene-1,3,5-tricarboxylic acid‒pyridin-1-ium-4-olate (1/3)","","- C24 H21 N3 O9 -","- C24 H21 N3 O9 -","- C96 H84 N12 O36 -","4","1","","Campos-Gaxiola, José J.; Zamora Falcon, Felipe; Corral Higuera, Ramón; Höpfl, Herbert; Cruz-Enríquez, Adriana","Benzene-1,3,5-tricarboxylic acid‒pyridinium-2-olate (1/3)","Acta Crystallographica Section E","2014","70","4","o453","o454","10.1107/S1600536814005534","","","0.71073","MoKα","","0.0491","0.047","","","0.1028","0.1039","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239262","10.251","0.003","12.838","0.004","30.915","0.009","90","","90","","90","","4068","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Heptacarbonylbis(μ-propane-1,3-\ dithiolato)triiron(I,II)(2 <i>Fe</i>—<i>Fe</i>)","","- C13 H12 Fe3 O7 S4 -","- C13 H12 Fe3 O7 S4 -","- C104 H96 Fe24 O56 S32 -","8","2","WM5007","Hu, Mingqiang; Ma, Chengbing; Wen, Huimin; Cui, Honghua; Chen, Changneng","Heptacarbonylbis(μ-propane-1,3-dithiolato)triiron(I,II)(2 <i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2014","70","4","m124","","10.1107/S1600536814004619","","","0.710747","MoKα","","0.0577","0.043","","","0.0511","0.056","","","","","","0.86","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239263","14.0834","0.0011","8.2605","0.0006","26.561","0.002","90","","93.816","0.007","90","","3083.1","0.4","297.15","0.02","297.15","0.02","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-3-[2-(2,4-Dinitrophenyl)hydrazin-1-ylidene]isobenzofuran-1(3<i>H</i>)-one dichloromethane hemisolvate","","- C14.5 H9 Cl N4 O6 -","- C14.5 H9 Cl N4 O6 -","- C116 H72 Cl8 N32 O48 -","8","1","FJ2664","Agarwal, Palak; Mishra, Pragati; Gupta, Nikita; Neelam; Sahoo, Priyaranjan; Kumar, Satish","(<i>Z</i>)-3-[2-(2,4-Dinitrophenyl)hydrazin-1-ylidene]isobenzofuran-1(3<i>H</i>)-one dichloromethane hemisolvate","Acta Crystallographica Section E","2014","70","4","o418","","10.1107/S1600536814004929","","","0.71073","MoKα","","0.0934","0.0568","","","0.1233","0.1413","","","","","","1.025","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2239264","7.3638","0.0005","10.2524","0.0006","11.8335","0.0007","68.949","0.003","89.362","0.003","71.46","0.003","785.11","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-3-ethylsulfinyl-7-methyl-2-(4-methylphenyl)-1-benzofuran","","- C18 H17 Cl O2 S -","- C18 H17 Cl O2 S -","- C36 H34 Cl2 O4 S2 -","2","1","FB2296","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Chloro-3-ethylsulfinyl-7-methyl-2-(4-methylphenyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o458","","10.1107/S1600536814005601","","","0.71073","MoKα","","0.038","0.0338","","","0.0951","0.0999","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239265","10.368","0.0004","12.5332","0.0004","17.2709","0.0006","72.966","0.003","74.709","0.003","89.262","0.003","2064.79","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) chlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)manganate(II) methanol monosolvate","","- C44 H31 Cl2 Cu Mn N7 O5 -","- C44 H31 Cl2 Cu Mn N7 O5 -","- C88 H62 Cl4 Cu2 Mn2 N14 O10 -","2","1","BR2237","Buvailo, Halyna I.; Rusanova, Julia A.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Zubatyuk, Roman I.","Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) chlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)manganate(II) methanol monosolvate","Acta Crystallographica Section E","2014","70","4","m147","m148","10.1107/S1600536814006369","","","0.71073","MoKα","","0.079","0.0489","","","0.1277","0.1398","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239266","12.932","0.0006","7.3736","0.0004","16.4203","0.0008","90","","97.41","0.002","90","","1552.69","0.13","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3,3'-dimethoxybiphenyl-4,4'-dicarboxylate","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Lundvall, Fredrik; Wragg, David Stephen; Dietzel, Pascal D. C.; Fjellvåg, Helmer","Dimethyl 3,3'-dimethoxybiphenyl-4,4'-dicarboxylate","Acta Crystallographica Section E","2014","70","4","o449","","10.1107/S1600536814005613","","","0.71073","MoKα","","0.0766","0.0508","","","0.1274","0.1425","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239267","4.7363","0.0005","15.4102","0.0017","20.953","0.002","90","","95.363","0.008","90","","1522.6","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Fluorobenzyl)-2-(pyridin-2-yl)-1<i>H</i>-benzimidazole","","- C19 H14 F N3 -","- C19 H14 F N3 -","- C76 H56 F4 N12 -","4","1","BQ2393","Çelik, Ömer; Anĝay, Fırat; Gündoĝan, Mustafa; Ulusoy, Mahmut","1-(4-Fluorobenzyl)-2-(pyridin-2-yl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2014","70","4","o485","","10.1107/S1600536814005947","","","0.71073","MoKα","","0.0559","0.0378","","","0.0925","0.1029","","","","","","0.926","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239268","21.4308","0.0007","5.7255","0.0002","20.4476","0.0005","90","","108.502","0.001","90","","2379.28","0.13","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>m</i>-Xylylenediaminium dinitrate","","- C8 H14 N4 O6 -","- C8 H14 N4 O6 -","- C64 H112 N32 O48 -","8","2","BH2495","Gatfaoui, Sofian; Dhaouadi, Hassouna; Roisnel, Thierry; Rzaigui, Mohamed; Marouani, Houda","<i>m</i>-Xylylenediaminium dinitrate","Acta Crystallographica Section E","2014","70","4","o398","o399","10.1107/S1600536814004620","","","0.71073","MoKα","","0.06","0.0465","","","0.1208","0.1292","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239269","10.2233","0.0011","16.6581","0.0018","11.7146","0.0015","90","","95","0.001","90","","1987.4","0.4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[1,2-Bis(dicyclohexylphosphanyl)-1,2-dicarba-<i>closo</i>-dodecaborane-2κ^2^<i>P</i>,<i>P</i>']di-μ-chlorido-1:2κ^4^<i>Cl</i>:<i>Cl</i>-dichlorido-1κ^2^<i>Cl</i>-dimercury(II)","","- C26 H54 B10 Cl4 Hg2 P2 -","- C26 H54 B10 Cl4 Hg2 P2 -","- C52 H108 B20 Cl8 Hg4 P4 -","2","1","RZ5109","Yang, Liguo","[1,2-Bis(dicyclohexylphosphanyl)-1,2-dicarba-<i>closo</i>-dodecaborane-2κ^2^<i>P</i>,<i>P</i>']di-μ-chlorido-1:2κ^4^<i>Cl</i>:<i>Cl</i>-dichlorido-1κ^2^<i>Cl</i>-dimercury(II)","Acta Crystallographica Section E","2014","70","4","m140","","10.1107/S1600536814006096","","","0.71073","MoKα","","0.0545","0.0491","","","0.1416","0.1477","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239270","8.6763","0.0004","9.1233","0.0004","19.1545","0.0006","86.328","0.003","82.578","0.002","67.903","0.002","1392.87","0.1","299","2","299","2","","","","","","","","3","P 1","P 1","1","","Methyl 6-<i>O</i>-trityl-α-D-glucopyranoside methanol disolvate","","- C28 H36 O8 -","- C28 H36 O8 -","- C56 H72 O16 -","2","2","XU5777","Gültekin, Zeynep; Civan, Mehmet; Frey, Wolfgang; Hökelek, Tuncer","Methyl 6-<i>O</i>-trityl-α-<small>D</small>-glucopyranoside methanol disolvate","Acta Crystallographica Section E","2014","70","4","o492","o493","10.1107/S1600536814006461","","","0.71073","MoKα","","0.0393","0.035","","","0.0928","0.096","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239271","20.7561","0.0003","15.1847","0.0003","14.5191","0.0002","90","","126.255","0.001","90","","3690.1","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorido[<i>N</i>-(<i>N</i>,<i>N</i>-dimethylcarbamimidoyl)-<i>N</i>',<i>N</i>',4-trimethylbenzohydrazonamide]platinum(II) nitromethane hemisolvate","","- C13.5 H22.5 Cl2 N5.5 O Pt -","- C13.5 H22.5 Cl2 N5.5 O Pt -","- C108 H180 Cl16 N44 O8 Pt8 -","8","1","ZQ2215","Bolotin, Dmitrii S.; Bokach, Nadezha A.; Haukka, Matti","Dichlorido[<i>N</i>-(<i>N</i>,<i>N</i>-dimethylcarbamimidoyl)-<i>N</i>',<i>N</i>',4-trimethylbenzohydrazonamide]platinum(II) nitromethane hemisolvate","Acta Crystallographica Section E","2014","70","4","m131","m132","10.1107/S1600536814003894","","","0.71073","MoKα","","0.0185","0.0153","","","0.0338","0.0347","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2239272","8.1754","0.0002","8.9536","0.0002","15.3193","0.0004","104.965","0.002","95.175","0.002","107.354","0.002","1016.87","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,1',1'',1'''-(Oxydimethanetriyl)tetrakis(4-fluorobenzene)","","- C26 H18 F4 O2 -","- C26 H18 F4 O -","- C52 H36 F8 O2 -","2","1","BV2231","Roopashree, K. R.; Kavitha, H. D.; Katagi, K. S.; Kotresh, O.; Devarajegowda, H. C.","1,1',1'',1'''-(Oxydimethanetriyl)tetrakis(4-fluorobenzene)","Acta Crystallographica Section E","2014","70","4","o475","","10.1107/S1600536814005984","","","0.71073","MoKα","","0.0779","0.0479","","","0.116","0.1324","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239273","8.6775","0.0007","12.4069","0.001","6.1995","0.0005","90","","90","","90","","667.44","0.09","153","2","153","2","","","","","","","","4","P b c m","-P 2c 2b","57","","2-Methyl-4-nitropyridine <i>N</i>-oxide","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","0.5","","Peukert, Max; Seichter, Wilhelm; Weber, Edwin","Redetermination of 2-methyl-4-nitropyridine <i>N</i>-oxide","Acta Crystallographica Section E","2014","70","4","o426","o427","10.1107/S1600536814004450","","","0.71073","MoKα","","0.0538","0.0485","","","0.1397","0.1467","","","","","","1.103","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239274","10.7393","0.0008","33.613","0.003","9.9942","0.0007","90","","95.704","0.005","90","","3589.8","0.5","99","2","99","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>N</i>-(2-Chloroethyl)morpholine-4-carboxamide","","- C7 H13 Cl N2 O2 -","- C7 H13 Cl N2 O2 -","- C112 H208 Cl16 N32 O32 -","16","4","QK2064","Ujam, Oguejiofo T.; Asegbeloyin, Jonnie N.; Nicholson, Brian K.; Ukoha, Pius O.; Ukwueze, Nkechi N.","<i>N</i>-(2-Chloroethyl)morpholine-4-carboxamide","Acta Crystallographica Section E","2014","70","4","o463","","10.1107/S1600536814005832","","","0.71073","MoKα","","0.1077","0.0593","","","0.1323","0.1577","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239275","10.0543","0.0004","10.7342","0.0004","18.7836","0.0007","86.32","0.002","80.372","0.002","78.185","0.002","1955.38","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(μ-Acetato-κ^2^<i>O</i>:<i>O</i>')[μ-2,6-bis({bis[(pyridin-2-yl-κ<i>N</i>)methyl]amino-κ<i>N</i>}methyl)-4-methylphenolato-κ^2^<i>O</i>:<i>O</i>](methanol-κ<i>O</i>)dizinc bis(perchlorate)","","- C36 H40 Cl2 N6 O12 Zn2 -","- C36 H40 Cl2 N6 O12 Zn2 -","- C72 H80 Cl4 N12 O24 Zn4 -","2","1","KJ2234","Das, Biswanath; Haukka, Matti; Nordlander, Ebbe","(μ-Acetato-κ^2^<i>O</i>:<i>O</i>')[μ-2,6-bis({bis[(pyridin-2-yl-κ<i>N</i>)methyl]amino-κ<i>N</i>}methyl)-4-methylphenolato-κ^2^<i>O</i>:<i>O</i>](methanol-κ<i>O</i>)dizinc bis(perchlorate)","Acta Crystallographica Section E","2014","70","4","m120","m121","10.1107/S1600536814004279","","","0.71073","MoKα","","0.0451","0.0317","","","0.0808","0.0871","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239276","9.1703","0.0004","10.2234","0.0005","9.2681","0.0004","90","","108.539","0.001","90","","823.81","0.06","100","2","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Trichodermaerin","(4<i>E</i>)-4,9,15,16,16-Pentamethyl-6-oxatetracyclo[10.3.1.0^1,10^.0^5,9^]hexadec-4-ene-7,13-dione","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","HB7180","Chantrapromma, Suchada; Jeerapong, Chotika; Phupong, Worrapong; Quah, Ching Kheng; Fun, Hoong-Kun","Trichodermaerin: a diterpene lactone from <i>Trichoderma asperellum</i>","Acta Crystallographica Section E","2014","70","4","o408","o409","10.1107/S1600536814004632","","","0.71073","MoKα","","0.0259","0.0257","","","0.0688","0.0691","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239277","15.3099","0.0013","9.2815","0.0008","12.3216","0.0011","90","","110.716","0.001","90","","1637.7","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(2-Chlorophenyl)-4a-hydroxy-3,4,4a,5,6,7,9,9a-octahydro-2<i>H</i>-xanthene-1,8-dione","","- C19 H19 Cl O4 -","- C19 H19 Cl O4 -","- C76 H76 Cl4 O16 -","4","1","","Liu, Qiu-Ling; Wu, Xin-Yan; Gao, Feng; Bao, Dan; Wang, Fang-Ming","9-(2-Chlorophenyl)-4a-hydroxy-3,4,4a,5,6,7,9,9a-octahydro-2<i>H</i>-xanthene-1,8-dione","Acta Crystallographica Section E","2014","70","4","o442","o443","10.1107/S1600536814005297","","","0.71073","MoKα","","0.0764","0.0415","","","0.1145","0.1371","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239278","8.9729","0.0001","10.3462","0.0001","11.0978","0.0002","91.027","0.001","112.142","0.001","96.92","0.001","945.09","0.02","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5-Cyclohexyl-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran","","- C22 H24 O3 S -","- C22 H24 O3 S -","- C44 H48 O6 S2 -","2","1","KJ2238","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o494","","10.1107/S1600536814006448","","","0.71073","MoKα","","0.0531","0.042","","","0.1096","0.1168","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239279","6.649","0.001","12.668","0.001","12.873","0.001","87.64","0.01","79.46","0.01","75.06","0.01","1029.9","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","Methyl 3,5-bis(cyclohexylmethoxy)benzoate","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","PK2519","Corfield, Peter W. R.; Paccagnini, Michele L.; Balija, Amy M.","Methyl 3,5-bis(cyclohexylmethoxy)benzoate","Acta Crystallographica Section E","2014","70","4","o400","o401","10.1107/S1600536814004607","","","0.7107","MoKα","","0.0678","0.0444","","","0.1139","0.1284","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239280","25.814","0.004","10.5563","0.0016","20.333","0.003","90","","110.883","0.002","90","","5176.8","1.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[4-(Diethylamino)styryl]-1-methylquinolin-1-ium 4-fluorobenzenesulfonate monohydrate","","- C28 H31 Cl N2 O4 S -","- C28 H31 Cl N2 O4 S -","- C224 H248 Cl8 N16 O32 S8 -","8","2","SJ5390","Chantrapromma, Suchada; Kaewmanee, Narissara; Boonnak, Nawong; Quah, Ching Kheng; Fun, Hoong-Kun","(<i>E</i>)-2-[4-(Diethylamino)styryl]-1-methylquinolin-1-ium 4-chlorobenzenesulfonate monohydrate","Acta Crystallographica Section E","2014","70","4","o395","o396","10.1107/S1600536814004577","","","0.71073","MoKα","","0.1355","0.0763","","","0.1701","0.2013","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239281","13.5656","0.0009","14.3215","0.0009","15.787","0.001","90","","112.186","0.001","90","","2840","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-<i>tert</i>-Butylpyridinium chloride‒4,4'-(propane-2,2-diyl)bis(2,6-dimethylphenol)‒toluene (2/2/1)","","- C31.5 H41.5 Cl N O2 -","- C31.5 H41.5 Cl N O2 -","- C126 H166 Cl4 N4 O8 -","4","1","GG2132","Nielson, Alastair J.; Waters, Joyce M.","4-<i>tert</i>-Butylpyridinium chloride‒4,4'-(propane-2,2-diyl)bis(2,6-dimethylphenol)‒toluene (2/2/1)","Acta Crystallographica Section E","2014","70","4","o413","o414","10.1107/S1600536814004942","","","0.71073","MoKα","","0.1025","0.0524","","","0.0943","0.1139","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2239282","26.005","0.019","13.169","0.004","13.297","0.008","90","","98.02","0.06","90","","4509","5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Acetyl-2-fluoro-6<i>H</i>-benzo[<i>c</i>]chromen-6-one","","- C15 H9 F O3 -","- C15 H9 F O3 -","- C240 H144 F16 O48 -","16","2","","Ishikawa, Yoshinobu; Suzuki, Takafumi; Yoshida, Nanako","3-Acetyl-2-fluoro-6<i>H</i>-benzo[<i>c</i>]chromen-6-one","Acta Crystallographica Section E","2014","70","4","o470","o471","10.1107/S1600536814005959","","","0.71069","MoKα","","","0.0468","","","","0.1373","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239283","10.5064","0.0018","10.2684","0.0017","11.843","0.002","90","","108.58","0.002","90","","1211.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2-Chloropyrimidin-4-yl)ferrocene","","- C14 H11 Cl Fe N2 -","- C14 H11 Cl Fe N2 -","- C56 H44 Cl4 Fe4 N8 -","4","1","FJ2665","Shi, Guo-Qing; Li, Yang; Gao, Xiang; Hao, Long-Fei; Zhao, Wen-en","(2-Chloropyrimidin-4-yl)ferrocene","Acta Crystallographica Section E","2014","70","4","m130","","10.1107/S1600536814004917","","","0.71073","MoKα","","0.0458","0.0316","","","0.0919","0.1109","","","","","","0.734","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239284","6.5791","0.0004","7.2663","0.0004","9.3342","0.0005","80.121","0.004","85.042","0.004","70.235","0.004","413.52","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Chlorophenyl)-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","","- C8 H6 Cl N3 O -","- C8 H6 Cl N3 O -","- C16 H12 Cl2 N6 O2 -","2","1","HB7211","Kattimani, Pramod P.; Kamble, Ravindra R.; Kumbar, Mahadev N.; Arunkashi, H. K.; Devarajegowda, H. C.","1-(4-Chlorophenyl)-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2014","70","4","o499","","10.1107/S1600536814006412","","","0.71073","MoKα","","0.0382","0.0335","","","0.0911","0.0937","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239285","10.1689","0.0008","43.141","0.003","7.2658","0.0005","90","","90","","90","","3187.5","0.4","293","2","293","2","","","","","","","","3","I b a 2","I 2 -2c","45","","<i>c</i>-3,<i>t</i>-5-Dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidine","","- C19 H23 N -","- C19 H23 N -","- C152 H184 N8 -","8","1","","Sathya, S.; Prathebha, K.; Usha, G.; Abdul Basheer, S.; Ponnuswamy, S.","3,5-Dimethyl-2,6-diphenylpiperidine","Acta Crystallographica Section E","2014","70","4","o404","","10.1107/S160053681400470X","","","0.71073","MoKα","","0.0788","0.0512","","","0.1722","0.2156","","","","","","0.776","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239286","13.1045","0.0004","14.7259","0.0005","14.6953","0.0006","90","","95.127","0.003","90","","2824.49","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(6-Chloro-1-methyl-1<i>H</i>-imidazo[4,5-<i>c</i>]pyridin-4-yl)benzenesulfonamide","","- C13 H11 Cl N4 O2 S -","- C13 H11 Cl N4 O2 S -","- C104 H88 Cl8 N32 O16 S8 -","8","2","HB7208","Devaru, Venkatesh B.; Katagi, K. S.; Kotresh, O.; Arunkashi, H. K.; Devarajegowda, H. C.","<i>N</i>-(6-Chloro-1-methyl-1<i>H</i>-imidazo[4,5-<i>c</i>]pyridin-4-yl)benzenesulfonamide","Acta Crystallographica Section E","2014","70","4","o445","","10.1107/S1600536814005388","","","0.71073","MoKα","","0.0481","0.0339","","","0.0939","0.0976","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239287","6.7828","0.0002","16.8263","0.0006","10.4004","0.0004","90","","93.354","0.003","90","","1184.96","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-(4-fluoro-phenyl)-2H-pyrazol-1-ium trifluoro-acetate","5-(4-Fluorophenyl)-2<i>H</i>-pyrazol-1-ium 2,2,2-trifluoroacetate","","- C11 H8 F4 N2 O2 -","- C11 H8 F4 N2 O2 -","- C44 H32 F16 N8 O8 -","4","2","SU2707","Yamuna, Thammarse S.; Jasinski, Jerry P.; Kaur, Manpreet; Anderson, Brian J.; Yathirajan, H. S.","5-(4-Fluorophenyl)-2<i>H</i>-pyrazol-1-ium 2,2,2-trifluoroacetate","Acta Crystallographica Section E","2014","70","4","o429","o430","10.1107/S1600536814005200","","","0.71073","MoKα","","0.0754","0.0494","","","0.0958","0.1097","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239288","7.0284","0.0002","7.6736","0.0002","19.2668","0.0004","90","","99.355","0.002","90","","1025.3","0.05","110","2","110","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Potassium oxonate 2/3-hydrate","Poly[diaquatris(μ~6~-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylato)tripotassium]","","- C6 H5 K1.5 N4.5 O7 -","- C6 H5 K1.5 N4.5 O7 -","- C24 H20 K6 N18 O28 -","4","1","WM5013","Soudani, Sarra; Aubert, Emmanuel; Wenger, Emmanuel; Jelsch, Christian; Gautier-Luneau, Isabelle; Ben Nasr, Cherif","Poly[diaquatris(μ~6~-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylato)tripotassium]","Acta Crystallographica Section E","2014","70","5","m174","m175","10.1107/S1600536814007569","","","0.71073","MoKα","","0.034","0.0274","","","0.0635","0.067","","","","","","0.925","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239289","7.5488","0.0003","11.1899","0.0004","12.3853","0.0005","79.904","0.002","75.964","0.002","89.266","0.002","998.76","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","2,2'-[2,4-Bis(naphthalen-1-yl)cyclobutane-1,3-diyl]bis(1-methylpyridinium) bis(4-chlorobenzenesulfonate)","","- C48 H40 Cl2 N2 O6 S2 -","- C48 H40 Cl2 N2 O6 S2 -","- C48 H40 Cl2 N2 O6 S2 -","1","0.5","RZ5110","Chantrapromma, Suchada; Chanawanno, Kullapa; Boonnak, Nawong; Fun, Hoong-Kun","2,2'-[2,4-Bis(naphthalen-1-yl)cyclobutane-1,3-diyl]bis(1-methylpyridinium) bis(4-chlorobenzenesulfonate): thermal-induced [2~+~2] cycloaddition reaction of a heterostilbene","Acta Crystallographica Section E","2014","70","5","o510","o511","10.1107/S160053681400645X","","","0.71073","MoKα","","0.048","0.0395","","","0.1041","0.1146","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239290","15.5038","0.0017","16.4958","0.0018","21.4067","0.0013","70.008","0.002","82.663","0.003","66.129","0.002","4704.4","0.8","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","Poly[[tetra-μ-cyanido-κ^8^<i>C</i>:<i>N</i>-dodeca-cyanido-κ^12^<i>C</i>-tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(methanol-κ<i>O</i>)tris(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')trimanganese(II)ditungstate(V)] dihydrate]","","- C76 H85 Mn3 N25 O8 W2 -","- C76 H85 Mn3 N25 O8 W2 -","- C152 H170 Mn6 N50 O16 W4 -","2","1","","Yang, Fei-Lin; Yang, Dan","Poly[[tetra-μ-cyanido-κ^8^<i>C</i>:<i>N</i>-dodeca-cyanido-κ^12^<i>C</i>-tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(methanol-κ<i>O</i>)tris(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')trimanganese(II)ditungstate(V)] dihydrate]","Acta Crystallographica Section E","2014","70","5","m170","m171","10.1107/S1600536814007235","","","0.71073","MoKα","","0.0478","0.0461","","","0.1163","0.1167","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239291","9.4252","0.0008","6.8145","0.0005","11.0391","0.0008","90","","106.257","0.005","90","","680.67","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-Difluoro-2-hydroxybenzoic acid","","- C7 H4 F2 O3 -","- C7 H4 F2 O3 -","- C28 H16 F8 O12 -","4","1","","Ravi Kiran, Bhaskarachar; Palakshamurthy, Bandrehalli Siddagangaiah; Vijayakumar, Giriyapura R.; Bharath, Hebbur Shivamurthy","3,4-Difluoro-2-hydroxybenzoic acid","Acta Crystallographica Section E","2014","70","5","o519","","10.1107/S1600536814007211","","","0.71073","MoKα","","0.0818","0.0307","","","0.09","0.0944","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239292","7.208","0.004","13.824","0.007","15.022","0.008","90","","92.13","0.02","90","","1495.8","1.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-[(<i>E</i>)-2-(2-Methoxyphenyl)vinyl]-5,5-dimethylcyclohex-2-enone","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","SU2717","Fatima, Zeenat; Senthilkumar, Govindaraj; Vadivel, A.; Manikandan, Haridoss; Velmurugan, Devadasan","3-[(<i>E</i>)-2-(2-Methoxyphenyl)vinyl]-5,5-dimethylcyclohex-2-enone","Acta Crystallographica Section E","2014","70","5","o509","","10.1107/S1600536814006527","","","0.71073","MoKα","","0.1355","0.0847","","","0.2549","0.2825","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239293","7.421","0.003","18.16","0.007","8.691","0.004","90","","90.524","0.007","90","","1171.2","0.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Trichlorido(1-ethylpiperazin-1-ium)cobalt(II)","","- C6 H15 Cl3 Co N2 -","- C6 H15 Cl3 Co N2 -","- C24 H60 Cl12 Co4 N8 -","4","1","","Dhieb, Abdelhamid Chiheb; Janzen, Daron E.; Rzaigui, Mohamed; Smirani Sta, Wajda","Trichlorido(1-ethylpiperazin-1-ium)cobalt(II)","Acta Crystallographica Section E","2014","70","5","m166","","10.1107/S1600536814006989","","","0.71075","MoKα","","","0.0217","","","","0.0495","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239294","14.2514","0.0003","14.9274","0.0005","14.9616","0.0003","100.443","0.002","111.754","0.001","99.695","0.002","2808.88","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis[2,6-bis(1<i>H</i>-pyrazol-1-yl)pyridine]decakis(μ~2~-3-nitrobenzoato)bis(3-nitrobenzoato)tetradysprosium(III)","","- C106 H66 Dy4 N22 O48 -","- C106 H66 Dy4 N22 O48 -","- C106 H66 Dy4 N22 O48 -","1","0.5","SU2704","Hua, Rong; Wu, Xiao-Liu; Li, Jin-Ying","Bis[2,6-bis(1<i>H</i>-pyrazol-1-yl)pyridine]decakis(μ~2~-3-nitrobenzoato)bis(3-nitrobenzoato)tetradysprosium(III): a linear tetranuclear dysprosium compound based on mixed N- and O-donor ligands","Acta Crystallographica Section E","2014","70","5","m162","m163","10.1107/S1600536814006060","","","0.71073","MoKα","","0.0269","0.0215","","","0.0544","0.0584","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239295","6.772","0.001","12.5006","0.0018","14.187","0.002","68.991","0.002","81.829","0.002","87.925","0.002","1109.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","4,4'-(Ethene-1,2-diyl)dipyridin-1-ium hexaaquairon(II) bis(sulfate) monohydrate","","- C12 H26 Fe N2 O15 S2 -","- C12 H26 Fe N2 O15 S2 -","- C24 H52 Fe2 N4 O30 S4 -","2","1","","Yang, Dan; Yang, Fei-Lin","1:1 Co-crystal of 4,4'-(ethene-1,2-diyl)dipyridin-1-ium sulfate and hexaaquairon(II) sulfate monohydrate","Acta Crystallographica Section E","2014","70","5","m169","","10.1107/S1600536814007053","","","0.71073","MoKα","","0.0329","0.0266","","","0.0696","0.0722","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239296","9.276","0.001","4.764","0.001","50.154","0.003","90","","95.02","0.02","90","","2207.8","0.5","295","1","295","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","cobalt(II) sebacate","Poly[(μ~4~-decanedioato)cobalt(II)]","","- C10 H16 Co O4 -","- C10 H16 Co O4 -","- C80 H128 Co8 O32 -","8","1","","Giuseppe, Bruno; Francesco, Nicolò; Giovanni, Grassi; Alessandro, Saccà; Mollica Nardo, Viviana","Poly[(μ4-decanedioato)cobalt(II)]","Acta Crystallographica Section E Structure Reports Online","2014","70","5","m159","","10.1107/S1600536814006011","","","0.71073","MoKα","","0.0564","0.0466","","","0.1459","0.1573","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239297","7.2825","0.0011","8.785","0.0013","13.026","0.002","107.882","0.003","93.156","0.003","101.555","0.003","770.9","0.2","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","2-[1-(4-Bromophenyl)-2-nitroethyl]hexanoic acid","","- C14 H18 Br N O4 -","- C14 H18 Br N O4 -","- C28 H36 Br2 N2 O8 -","2","1","","Zhang, Yanpeng; Zhang, Can; Xia, Ai-Bao","2-[1-(4-Bromophenyl)-2-nitroethyl]hexanoic acid","Acta Crystallographica Section E","2014","70","5","o518","","10.1107/S1600536814006941","","","0.71073","MoKα","","0.0836","0.0446","","","0.0994","0.1134","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239298","8.226","0.003","10.157","0.002","11.298","0.004","65.98","0.02","74.2","0.03","69.03","0.05","796.2","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","Piperazine-1,4-diium bis(hexahydroxidoheptaoxidohexaborato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')cobaltate(II) hexahydrate","","- C4 H36 B12 Co N2 O32 -","- C4 H36 B12 Co N2 O32 -","- C4 H36 B12 Co N2 O32 -","1","0.5","HB7207","Jamai, Nabil; Rzaigui, Mohamed; Toumi, Samah Akriche","Piperazine-1,4-diium bis(hexahydroxidoheptaoxidohexaborato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')cobaltate(II) hexahydrate","Acta Crystallographica Section E","2014","70","5","m167","m168","10.1107/S1600536814007090","","","0.56087","AgKα","","0.0703","0.0486","","","0.1413","0.1532","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239299","7.539","0.005","18.551","0.005","10.806","0.005","90","","94.38","0.005","90","","1506.9","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido(4-{[(quinolin-2-yl)methylidene]amino}phenol-κ^2^<i>N</i>,<i>N</i>')mercury(II)","","- C16 H12 Cl2 Hg N2 O -","- C16 H12 Cl2 Hg N2 O -","- C64 H48 Cl8 Hg4 N8 O4 -","4","1","ZS2293","Faizi, Md. Serajul Haque; Sen, Pratik","Dichlorido(4-{[(quinolin-2-yl)methylidene]amino}phenol-κ^2^<i>N</i>,<i>N</i>')mercury(II)","Acta Crystallographica Section E","2014","70","5","m173","","10.1107/S1600536814007077","","","0.71073","MoKα","","0.0208","0.0164","","","0.0339","0.035","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239300","10.2198","0.0013","12.1702","0.0015","12.4767","0.0015","118.119","0.009","93.936","0.01","101.84","0.01","1314.7","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(carbonato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)] 2-{4-[(carboxylatomethyl)carbamoyl]benzamido}acetate hexahydrate","","- C54 H54 Co2 N10 O18 -","- C54 H54 Co2 N10 O18 -","- C54 H54 Co2 N10 O18 -","1","0.5","WM5010","Pook, Niels-Patrick; Gjikaj, Mimoza; Adam, Arnold","Bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(carbonato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)] 2-{4-[(carboxylatomethyl)carbamoyl]benzamido}acetate hexahydrate","Acta Crystallographica Section E","2014","70","5","m160","m161","10.1107/S160053681400631X","","","0.71073","MoKα","","0.0534","0.043","","","0.1009","0.1062","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239301","6.3807","0.0004","9.8331","0.0006","22.1717","0.0016","90","","90","","90","","1391.1","0.16","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","(μ-Dihydrogen pyrazine-2,3,5,6-tetracarboxylato-κ^6^<i>O</i>^2^,<i>N</i>^1^,<i>O</i>^6^;<i>O</i>^3^,<i>N</i>^4^,<i>O</i>^5^)bis(diaqualithium) monohydrate","","- C8 H12 Li2 N2 O13 -","- C8 H12 Li2 N2 O13 -","- C32 H48 Li8 N8 O52 -","4","0.25","","Starosta, Wojciech; Leciejewicz, Janusz","(μ-Dihydrogen pyrazine-2,3,5,6-tetracarboxylato-κ^6^<i>O</i>^2^,<i>N</i>^1^,<i>O</i>^6^;<i>O</i>^3^,<i>N</i>^4^,<i>O</i>^5^)bis(diaqualithium) monohydrate","Acta Crystallographica Section E","2014","70","5","m172","","10.1107/S1600536814007223","","","0.71073","MoKα","","0.0535","0.0468","","","0.0955","0.0997","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239302","8.7876","0.00016","14.0091","0.0003","14.412","0.0002","90","","94.8913","0.0017","90","","1767.75","0.06","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[2-(Benzylideneamino)-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-3-yl](phenyl)methanone","","- C22 H19 N O S -","- C22 H19 N O S -","- C88 H76 N4 O4 S4 -","4","1","ZS2292","Kaur, Manpreet; Jasinski, Jerry P.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Byrappa, K.","[2-(Benzylideneamino)-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-3-yl](phenyl)methanone","Acta Crystallographica Section E","2014","70","5","o507","o508","10.1107/S1600536814006679","","","0.71073","MoKα","","0.0586","0.0425","","","0.1025","0.1133","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239303","10.17","0.004","12.623","0.005","12.962","0.005","113.45","0.005","110.411","0.005","92.795","0.005","1396.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(μ~2~-2-Methoxyethanol-κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^3^)(2-methoxyethanol-κ<i>O</i>^1^)tris(μ~2~-3,4,5,6-tetrafluoro-<i>o</i>-phenylene-κ<i>C</i>)trimercury(II)","","- C24 H16 F12 Hg3 O4 -","- C24 H16 F12 Hg3 O4 -","- C48 H32 F24 Hg6 O8 -","2","1","CV5445","Castañeda, Raúl; Draguta, Sergiu; Yakovenko, Andrey; Fonari, Marina; Timofeeva, Tatiana","(μ~2~-2-Methoxyethanol-κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^3^)(2-methoxyethanol-κ<i>O</i>^1^)tris(μ~2~-3,4,5,6-tetrafluoro-<i>o</i>-phenylene-κ^2^<i>C</i>^1^:<i>C</i>^2^)trimercury(II)","Acta Crystallographica Section E","2014","70","5","m164","m165","10.1107/S1600536814006898","","","0.71073","MoKα","","0.1195","0.0498","","","0.0811","0.1013","","","","","","0.906","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239304","10.1733","0.0019","11.156","0.002","16.361","0.003","90","","90.877","0.003","90","","1856.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ethyl <i>trans</i>-12-(pyridin-4-yl)-9,10-ethanoanthracene-11-carboxylate","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Chandrasekar, S.; Sharma Om, Prakash; Srinivasapriyan, V.; SureshKumar, M.; Ramanathan, C. R.","Ethyl <i>trans</i>-12-(pyridin-4-yl)-9,10-ethanoanthracene-11-carboxylate","Acta Crystallographica Section E","2014","70","5","o512","","10.1107/S1600536814006588","","","0.71073","MoKα","","0.0542","0.0461","","","0.1121","0.118","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239305","18.409","0.002","7.714","0.0008","22.493","0.003","90","","109.503","0.007","90","","3010.9","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>,<i>N</i>'-Trimethyl-<i>N</i>''-(4-nitrophenyl)-<i>N</i>'-phenylguanidine","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C128 H144 N32 O16 -","8","1","NR2049","Tiritiris, Ioannis; Frey, Wolfgang; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>'-Trimethyl-<i>N</i>''-(4-nitrophenyl)-<i>N</i>'-phenylguanidine","Acta Crystallographica Section E","2014","70","5","o516","o517","10.1107/S160053681400693X","","","0.71073","MoKα","","0.0783","0.053","","","0.114","0.1239","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239306","6.5838","0.0016","6.9579","0.0017","10.265","0.003","71.22","0.03","85.64","0.02","69.29","0.03","416.1","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","6-Chloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H5 Cl O3 -","- C10 H5 Cl O3 -","- C20 H10 Cl2 O6 -","2","1","","Ishikawa, Yoshinobu","6-Chloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","5","o514","","10.1107/S1600536814007119","","","0.71069","MoKα","","","0.04","","","","0.1088","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239307","8.8243","0.0013","10.3974","0.0016","14.348","0.002","72.936","0.003","74.639","0.002","75.792","0.003","1193.3","0.3","295","1","295","1","","","","","","","","3","P -1","-P 1","2","","(±)-4,12,15,18,26-Pentahydroxy-13,17-dioxaheptacyclo[14.10.0.0^3,14^.0^4,12^.0^6,11^.0^18,26^.0^19,24^]hexacosa-1,3(14),6(11),7,9,15,19,21,23-nonaene-5,25-dione methanol disolvate","","- C26 H22 O11 -","- C26 H22 O11 -","- C52 H44 O22 -","2","1","XU5780","Gil, Maayan; Almog, Joseph; Dubnikova, Faina; Bogoslavski, Benny; Cohen, Shmuel","(±)-4,12,15,18,26-Pentahydroxy-13,17-dioxaheptacyclo[14.10.0.0^3,14^.0^4,12^.0^6,11^.0^18,26^.0^19,24^]hexacosa-1,3(14),6(11),7,9,15,19,21,23-nonaene-5,25-dione methanol disolvate","Acta Crystallographica Section E","2014","70","5","o506","","10.1107/S1600536814006643","","","0.71073","MoKα","","0.1145","0.0667","","","0.1329","0.1527","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239308","8.362","0.003","10.627","0.003","11.47","0.004","108.575","0.006","99.377","0.007","100.886","0.006","921.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 1-[(<i>Z</i>)-2-(benzyloxycarbonyl)hydrazin-1-ylidene]-5-chloro-2-hydroxyindane-2-carboxylate","","- C19 H17 Cl N2 O5 -","- C19 H17 Cl N2 O5 -","- C38 H34 Cl2 N4 O10 -","2","1","PK2520","Dong, Kun; Wang, Yifeng","Methyl 1-[(<i>Z</i>)-2-(benzyloxycarbonyl)hydrazin-1-ylidene]-5-chloro-2-hydroxyindane-2-carboxylate","Acta Crystallographica Section E","2014","70","5","o527","","10.1107/S1600536814007429","","","0.71073","MoKα","","0.0622","0.0533","","","0.1493","0.1615","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239309","8.1554","0.0002","9.979","0.0002","10.126","0.0002","77.41","0.001","77.114","0.001","76.009","0.001","767.68","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-2,7-dimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C34 H30 Br2 O6 S2 -","2","1","GG2139","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2,7-dimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","5","o520","","10.1107/S1600536814007181","","","0.71073","MoKα","","0.0339","0.0278","","","0.0701","0.0733","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239310","6.655","0.0003","9.4142","0.0004","12.9389","0.0013","86.008","0.006","83.921","0.006","89.511","0.004","804.13","0.1","173","2","173","2","","","","","","","","4","P 1","P 1","1","","(1<i>R</i>,4<i>R</i>,6<i>S</i>,7<i>R</i>)-5,5-Dibromo-1,4,8,8-tetramethyltricyclo[5.4.1.0^4,6^]dodecan-12-one","","- C16 H24 Br2 O -","- C16 H24 Br2 O -","- C32 H48 Br4 O2 -","2","2","BT6972","Zaki, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Berraho, Moha","(1<i>R</i>,4<i>R</i>,6<i>S</i>,7<i>R</i>)-5,5-Dibromo-1,4,8,8-tetramethyltricyclo[5.4.1.0^4,6^]dodecan-12-one","Acta Crystallographica Section E","2014","70","5","o526","","10.1107/S1600536814007351","","","0.71073","MoKα","","0.0717","0.0537","","","0.1082","0.1185","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239311","5.5794","0.0001","15.6118","0.0003","8.0653","0.0002","90","","98.913","0.001","90","","694.04","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","{(3a<i>R</i>,5<i>S</i>,6<i>R</i>,6a<i>R</i>)-5-[(<i>R</i>)-1,2-Dihydroxyethyl]-2,2-dimethyltetrahydrofuro[2,3-<i>d</i>][1,3]dioxol-6-yl}methyl methanesulfonate","","- C11 H20 O8 S -","- C11 H20 O8 S -","- C22 H40 O16 S2 -","2","1","","Rjabovs, Vitālijs; Mishnev, Anatoly; Kiselovs, Glebs; Turks, Māris","{(3a<i>R</i>,5<i>S</i>,6<i>R</i>,6a<i>R</i>)-5-[(<i>R</i>)-1,2-Dihydroxyethyl]-2,2-dimethyltetrahydrofuro[2,3-<i>d</i>][1,3]dioxol-6-yl}methyl methanesulfonate","Acta Crystallographica Section E","2014","70","5","o524","o525","10.1107/S1600536814007387","","","0.71073","MoKα","","0.0303","0.0273","","","0.063","0.0646","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239312","17.348","0.003","8.6023","0.0013","12.1672","0.0018","90","","99.637","0.003","90","","1790.1","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Methyl-3-phenylthiourea","","- C8 H10 N2 S -","- C8 H10 N2 S -","- C64 H80 N16 S8 -","8","1","KQ2012","Su, Hou-xiang","1-Methyl-3-phenylthiourea","Acta Crystallographica Section E","2014","70","5","o528","","10.1107/S1600536814007442","","","0.71073","MoKα","","0.0687","0.0406","","","0.0997","0.1143","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239313","9.8987","0.0008","24.374","0.002","10.0794","0.0009","90","","105.82","0.002","90","","2339.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(5-Fluoro-4'-methylbiphenyl-3-yl)(2,4,6-trimethylphenyl)iodonium trifluoromethanesulfonate","","- C23 H21 F4 I O3 S -","- C23 H21 F4 I O3 S -","- C92 H84 F16 I4 O12 S4 -","4","1","","Shao, Ying; Liu, Xiao-Long; Wu, Zhu-Hong; Xia, Yong-An","(5-Fluoro-4'-methylbiphenyl-3-yl)(2,4,6-trimethylphenyl)iodonium trifluoromethanesulfonate","Acta Crystallographica Section E","2014","70","5","o522","","10.1107/S160053681400720X","","","0.71073","MoKα","","0.0586","0.0398","","","0.1048","0.1419","","","","","","1.137","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239314","8.2649","0.0006","19.2127","0.0014","8.0554","0.0005","90","","99.244","0.003","90","","1262.51","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-1-(2-Fluorophenyl)ethylidene]pyridine-4-carbohydrazide","","- C14 H12 F N3 O -","- C14 H12 F N3 O -","- C56 H48 F4 N12 O4 -","4","1","","Sreeja, P. B.; Sithambaresan, M.; Aiswarya, N.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-1-(2-Fluorophenyl)ethylidene]pyridine-4-carbohydrazide","Acta Crystallographica Section E","2014","70","5","o532","o533","10.1107/S1600536814007545","","","0.71073","MoKα","","0.0675","0.0478","","","0.1333","0.1521","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239315","29.88","0.005","6.841","0.005","11.999","0.005","90","","102.307","0.005","90","","2396","2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","9α-Hydroxy-12-{[4-(4-hydroxyphenyl)piperazin-1-yl]methyl}-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C25 H34 N2 O5 -","- C25 H34 N2 O5 -","- C100 H136 N8 O20 -","4","1","SJ5394","Loubidi, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","9α-Hydroxy-12-{[4-(4-hydroxyphenyl)piperazin-1-yl]methyl}-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2014","70","5","o530","o531","10.1107/S1600536814007430","","","0.71073","MoKα","","0.0878","0.0444","","","0.0853","0.1017","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239316","7.4478","0.0016","11.284","0.005","12.583","0.005","107.78","0.03","92.96","0.03","102.85","0.03","973.6","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","Diethyl 4-oxo-4<i>H</i>-[1,4'-biquinoline]-3,3'-dicarboxylate","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C48 H40 N4 O10 -","2","1","","Ishikawa, Yoshinobu; Yoshida, Nanako","Diethyl 4-oxo-4<i>H</i>-[1,4'-biquinoline]-3,3'-dicarboxylate","Acta Crystallographica Section E","2014","70","5","o523","","10.1107/S1600536814007314","","","0.71069","MoKα","","","0.0517","","","","0.1585","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239317","7.7149","0.001","7.7326","0.0011","12.748","0.002","91.472","0.002","91.233","0.003","114.859","0.002","689.37","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Bis(2,3-dichlorophenyl) disulfide","","- C12 H6 Cl4 S2 -","- C12 H6 Cl4 S2 -","- C24 H12 Cl8 S4 -","2","1","BX2456","Osorio-Yáñez, Rebeca Nayely; Crisóstomo-Lucas, Carmela; Santacruz-Juárez, Ericka; Reyes-Martínez, Reyna; Morales-Morales, David","Bis(2,3-dichlorophenyl) disulfide","Acta Crystallographica Section E","2014","70","5","o529","","10.1107/S1600536814007326","","","0.71073","MoKα","","0.0438","0.0351","","","0.0821","0.0878","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239318","8.144","0.002","13.729","0.004","11.16","0.003","90","","105.177","0.008","90","","1204.3","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-(Oxolan-2-ylidene)-1-phenylpyrrolidine-2,5-dione","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Shao, Ying; Xia, Yong-An; Wu, Zhu-Hong; Liu, Xiao-Long","(<i>E</i>)-3-(Oxolan-2-ylidene)-1-phenylpyrrolidine-2,5-dione","Acta Crystallographica Section E","2014","70","5","o521","","10.1107/S1600536814007193","","","0.7107","MoKα","","0.0889","0.075","","","0.1528","0.1608","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239319","11.455","0.0003","11.2239","0.0003","44.3776","0.001","90","","90","","90","","5705.6","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>cis</i>-2-(4-Methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol","","- C18 H18 O2 -","- C18 H18 O2 -","- C288 H288 O32 -","16","2","RN2124","Lough, Alan J.; Raheem, Mohammed-Abdul; Tam, William","<i>cis</i>-2-(4-Methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol","Acta Crystallographica Section E","2014","70","5","o546","","10.1107/S1600536814007739","","","1.54178","CuKα","","0.0416","0.0394","","","0.0968","0.0988","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239320","9.2364","0.0016","13.245","0.002","18.248","0.003","104.956","0.004","103.578","0.004","101.636","0.005","2013.1","0.6","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","Bis{2-[(Triphenylmethyl)amino]phenyl} diselenide acetonitrile monosolvate","","- C52 H43 N3 Se2 -","- C50 H40 N2 Se2 -","- C100 H80 N4 Se4 -","2","1","TK5302","Neuba, Adam; Schneider, Tobias; Flörke, Ulrich; Henkel, Gerald","Bis{2-[(Triphenylmethyl)amino]phenyl} diselenide acetonitrile monosolvate","Acta Crystallographica Section E","2014","70","5","o537","o538","10.1107/S1600536814007806","","","0.71073","MoKα","","0.0854","0.0426","","","0.06","0.0679","","","","","","0.636","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239321","14.5718","0.0004","9.7218","0.0002","18.2609","0.0005","90","","94.604","0.001","90","","2578.57","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1'-Allyl-1-(3,4-dimethylbenzoyl)-2-(4-methyl-1,3-thiazol-5-yl)-1,2,5,6,7,7a-hexahydrospiro[pyrrolizine-3,3'-indolin]-2'-one","","- C30 H31 N3 O2 S -","- C30 H31 N3 O2 S -","- C120 H124 N12 O8 S4 -","4","1","HB7204","Karthikeyan, V.; Ramkumar, V.; Karunakaran, R. Joel","1'-Allyl-1-(3,4-dimethylbenzoyl)-2-(4-methyl-1,3-thiazol-5-yl)-1,2,5,6,7,7a-hexahydrospiro[pyrrolizine-3,3'-indolin]-2'-one","Acta Crystallographica Section E","2014","70","5","o541","o542","10.1107/S1600536814006990","","","0.71073","MoKα","","0.0521","0.0389","","","0.0986","0.1118","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239322","12.7717","0.0006","16.2765","0.0007","11.4109","0.0009","90","","90","","90","","2372.1","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-3-Isopropyl-1-methyl-2,6-diphenylpiperidin-4-one <i>O</i>-nicotinoyl oxime","","- C27 H29 N3 O2 -","- C27 H29 N3 O2 -","- C108 H116 N12 O8 -","4","1","SU2680","Vinuchakkaravarthy, T.; Sivakumar, R.; Srinivasan, T.; Thanikachalam, V.; Velmurugan, D.","(<i>E</i>)-3-Isopropyl-1-methyl-2,6-diphenylpiperidin-4-one <i>O</i>-nicotinoyl oxime","Acta Crystallographica Section E","2014","70","5","o551","","10.1107/S1600536814007363","","","0.71073","MoKα","","0.1014","0.0471","","","0.1061","0.1324","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239323","10.4304","0.0002","6.8873","0.0001","13.4992","0.0003","90","","105.8","0.001","90","","933.11","0.03","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Phosphocholine","2-(Trimethylazaniumyl)ethyl hydrogen phosphate monohydrate","","- C5 H16 N O5 P -","- C5 H16 N O5 P -","- C20 H64 N4 O20 P4 -","4","1","IS5344","Nikawa, Yohsuke; Fujita, Kyoko; Noguchi, Keiichi; Ohno, Hiroyuki","2-(Trimethylazaniumyl)ethyl hydrogen phosphate (phosphocholine) monohydrate","Acta Crystallographica Section E","2014","70","5","o549","","10.1107/S160053681400779X","","","1.54187","CuKα","","0.0393","0.038","","","0.1004","0.101","","","","","","1.132","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239324","8.112","0.003","10.378","0.004","12.583","0.005","106.321","0.007","90.188","0.008","106.035","0.007","973.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diethyl [(4-nitrobenzamido)(phenyl)methyl]phosphonate","","- C18 H21 N2 O6 P -","- C18 H21 N2 O6 P -","- C36 H42 N4 O12 P2 -","2","1","LH5697","Chen, Jing-Wei; Li, Bai-Cun; Fang, Hua; Wu, Zhen; Fang, Mei-Juan","Diethyl [(4-nitrobenzamido)(phenyl)methyl]phosphonate","Acta Crystallographica Section E","2014","70","5","o548","","10.1107/S1600536814007776","","","0.71073","MoKα","","0.0907","0.0754","","","0.1883","0.1995","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239325","7.29","0.003","8.779","0.005","9.767","0.004","63.82","0.03","75.44","0.03","68.05","0.04","517.5","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","6,8-Diiodo-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H4 I2 O3 -","- C10 H4 I2 O3 -","- C20 H8 I4 O6 -","2","1","","Ishikawa, Yoshinobu","6,8-Diiodo-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","5","o536","","10.1107/S1600536814006904","","","0.71069","MoKα","","","0.0509","","","","0.1471","","","","","","1.234","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239326","31.7851","0.0009","8.5449","0.0002","21.3311","0.0005","90","","90.995","0.002","90","","5792.7","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{μ-<i>cis</i>-1,3-bis[(di-<i>tert</i>-butylphosphanyl)oxy]cyclohexane-κ^2^<i>P</i>:<i>P</i>'}bis[carbonylnickel(0)]","","- C46 H92 Ni2 O6 P4 -","- C46 H92 Ni2 O6 P4 -","- C184 H368 Ni8 O24 P16 -","4","0.5","TK5304","Jonasson, Klara J.; Wendt, Ola F.","Bis{μ-<i>cis</i>-1,3-bis[(di-<i>tert</i>-butylphosphanyl)oxy]cyclohexane-κ^2^<i>P</i>:<i>P</i>'}bis[carbonylnickel(0)] including an unknown solvent molecule","Acta Crystallographica Section E","2014","70","5","m176","m177","10.1107/S1600536814007818","","","0.71073","MoKα","","0.0794","0.0497","","","0.1106","0.125","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239327","21.805","0.004","9.871","0.002","8.8646","0.0018","90","","90","","90","","1908","0.6","298","2","298","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Diethyl 2,2'-(ethane-1,2-diyldioxy)dibenzoate","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","0.5","","Shi, Huaduan; Qin, Haisha; Ma, Zhen","Diethyl 2,2'-(ethane-1,2-diyldioxy)dibenzoate","Acta Crystallographica Section E","2014","70","5","o552","","10.1107/S1600536814007673","","","0.71073","MoKα","","0.0608","0.041","","","0.1154","0.1324","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239328","9.0608","0.0012","14.3998","0.0017","10.1631","0.0012","90","","104.835","0.003","90","","1281.8","0.3","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,8-Dimethoxy-3,9-dimethyl-3a,4,9,9a-tetrahydro-4,9-epoxynaphtho[2,3-<i>d</i>]isoxazole","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","IS5351","Lough, Alan J.; Nagireddy, Jaipal R.; Tam, William","5,8-Dimethoxy-3,9-dimethyl-3a,4,9,9a-tetrahydro-4,9-epoxynaphtho[2,3-<i>d</i>]isoxazole","Acta Crystallographica Section E","2014","70","5","o544","","10.1107/S1600536814007752","","","0.71073","MoKα","","0.0554","0.0393","","","0.0899","0.0967","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239329","9.503","0.0018","10.2912","0.0016","25.347","0.005","90","","90","","90","","2478.9","0.8","147","2","147","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-Methyl-8-(1-phenylethenyl)-3,9-dioxa-4,8-diazatricyclo[5.2.1.0^2,6^]dec-4-ene","(3-Methyl-3a,4,7,7a-tetrahydro-5<i>H</i>-4,7-\ methanoisoxazolo[4,5-<i>d</i>][1,2]oxazin-5-yl)(phenyl)methanone","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","1","IS5350","Lough, Alan J.; Nagireddy, Jaipal R.; Tam, William","(3-Methyl-3a,4,7,7a-tetrahydro-5<i>H</i>-4,7-methanoisoxazolo[4,5-<i>d</i>][1,2]oxazin-5-yl)(phenyl)methanone","Acta Crystallographica Section E","2014","70","5","o543","","10.1107/S1600536814007740","","","0.71073","MoKα","","0.0608","0.0405","","","0.092","0.1013","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239330","11.642","0.002","8.5455","0.0016","11.846","0.002","90","","116.106","0.003","90","","1058.3","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>Z</i>)-<i>N</i>-[1-(Aziridin-1-yl)-2,2,2-trifluoroethylidene]-4-bromoaniline","","- C10 H8 Br F3 N2 -","- C10 H8 Br F3 N2 -","- C40 H32 Br4 F12 N8 -","4","2","CV5449","Bunev, Alexander S.; Vasiliev, Maksim A.; Ostapenko, Gennady I.; Peregudov, Alexander S.; Khrustalev, Victor N.","(<i>Z</i>)-<i>N</i>-[1-(Aziridin-1-yl)-2,2,2-trifluoroethylidene]-4-bromoaniline","Acta Crystallographica Section E","2014","70","5","o550","","10.1107/S1600536814007867","","","0.71073","MoKα","","0.0579","0.0467","","","0.1135","0.1182","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239331","8.528","0.005","11.653","0.002","13.114","0.006","90","","90","","90","","1303.2","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate","1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate","","- C6 H16 Cd Cl4 N2 O -","- C6 H16 Cd Cl4 N2 O -","- C24 H64 Cd4 Cl16 N8 O4 -","4","1","","Ben Rhaiem, Tarek; Boughzala, Habib","1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate","Acta Crystallographica Section E","2014","70","5","m178","","10.1107/S1600536814007533","","","0.71073","MoKα","","0.0513","0.048","","","0.1312","0.1338","","","","","","1.194","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2239332","10.3091","0.0004","9.1309","0.0004","29.2552","0.0013","90","","90","","90","","2753.8","0.2","147","2","147","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(3-Hydroxy-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl)ethan-1-one","","- C15 H18 O5 -","- C15 H18 O5 -","- C120 H144 O40 -","8","1","TK5301","Lough, Alan J.; Nagireddy, Jaipal R.; Tam, William","1-(3-Hydroxy-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl)ethan-1-one","Acta Crystallographica Section E","2014","70","5","o545","","10.1107/S1600536814007764","","","1.54178","CuKα","","0.0387","0.0364","","","0.0948","0.0968","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239333","12.568","0.003","11.081","0.002","19.688","0.004","90","","98.04","0.03","90","","2714.9","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoic acid dimethylformamide disolvate","","- C28 H32 N2 O8 -","- C28 H32 N2 O8 -","- C112 H128 N8 O32 -","4","0.5","BG2524","Qiu, Zhen-Zhe; Jing, Bi; Li, Qiu-Xia; Zhu, Ai-Xin","4,4'-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoic acid dimethylformamide disolvate","Acta Crystallographica Section E","2014","70","5","o534","o535","10.1107/S1600536814006795","","","0.71073","MoKα","","0.0492","0.042","","","0.1245","0.1316","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239334","18.585","0.009","10.4918","0.0017","11.094","0.003","90","","119.23","0.03","90","","1887.8","1.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Chloro-8-nitro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H4 Cl N O5 -","- C10 H4 Cl N O5 -","- C80 H32 Cl8 N8 O40 -","8","1","","Ishikawa, Yoshinobu","6-Chloro-8-nitro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","5","o547","","10.1107/S1600536814007788","","","0.71069","MoKα","","","0.0353","","","","0.0976","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239335","13.5755","0.0015","6.2829","0.0007","22.514","0.003","90","","91.033","0.002","90","","1920","0.4","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","{[2-Methyl-2-(phenoxymethyl)propane-1,3-diyl]bis(oxy)}dibenzene","","","- C23 H24 O3 -","- C23 H24 O3 -","- C92 H96 O12 -","4","1","","Moussa, Ziad; Al-Masri, Harbi Tomah; Shraim, Amjed; Fettouhi, Mohammed","{[2-Methyl-2-(phenoxymethyl)propane-1,3-diyl]bis(oxy)}dibenzene","Acta Crystallographica Section E","2014","70","5","o539","","10.1107/S1600536814007594","","","0.71073","MoKα","","0.1097","0.0498","","","0.1018","0.1238","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239336","16.7802","0.0003","14.669","0.0003","18.4735","0.0004","90","","90","","90","","4547.23","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Methyl 1-ethyl-3'-[hydroxy(naphthalen-1-yl)methyl]-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","","- C27 H28 N2 O4 -","- C27 H28 N2 O4 -","- C216 H224 N16 O32 -","8","1","","Vijayakumar, Vinodhkumar; Peters, Gunther H.; Suresh, M.; Raghavachary, Raghunathan; Jagadeesan, G.","Methyl 1-ethyl-3'-[hydroxy(naphthalen-1-yl)methyl]-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2014","70","5","o540","","10.1107/S1600536814007065","","","0.71073","MoKα","","0.0581","0.0385","","","0.0973","0.1109","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239337","10.1378","0.0004","9.7173","0.0004","13.8801","0.0006","90","","93.704","0.002","90","","1364.5","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[μ-1,3-bis(1<i>H</i>-imidazol-1-yl)propane-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis(dichloridozinc) dihydrate","","- C18 H28 Cl4 N8 O2 Zn2 -","- C18 H28 Cl4 N8 O2 Zn2 -","- C36 H56 Cl8 N16 O4 Zn4 -","2","0.5","WM5017","Wang, Xiao-Juan; Feng, Yun-Long","Bis[μ-1,3-bis(1<i>H</i>-imidazol-1-yl)propane-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis(dichloridozinc) dihydrate","Acta Crystallographica Section E","2014","70","5","m184","","10.1107/S1600536814008162","","","0.71073","MoKα","","","0.0296","","","0.079","0.0871","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239338","16.6651","0.0019","8.3464","0.0009","11.471","0.0013","90","","103.063","0.002","90","","1554.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-Fluorophenyl-κ<i>C</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')(trifluoromethyl-κ<i>C</i>)palladium(II)","","- C13 H20 F4 N2 Pd -","- C13 H20 F4 N2 Pd -","- C52 H80 F16 N8 Pd4 -","4","1","","Du, Youzhi; Zheng, ChangGe","(4-Fluorophenyl-κ<i>C</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')(trifluoromethyl-κ<i>C</i>)palladium(II)","Acta Crystallographica Section E","2014","70","5","m179","","10.1107/S1600536814007855","","","0.71073","MoKα","","0.0289","0.0262","","","0.0655","0.0671","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239339","6.6335","0.0006","16.925","0.003","9.5078","0.0006","90","","92.113","0.006","90","","1066.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl acetate","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","ZS2285","dos Santos, Alexsandro F.; Cristiano, Rodrigo; Athayde-Filho, Petrônio F.; Bortoluzzi, Adailton J.","2-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl acetate","Acta Crystallographica Section E","2014","70","5","o559","","10.1107/S1600536814007946","","","0.71069","MoKα","","0.0683","0.044","","","0.1234","0.1359","","","","","","1.114","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239340","9.4018","0.0001","13.0108","0.0001","13.3035","0.0001","113.968","0.001","105.377","0.001","100.213","0.001","1356.7","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-Benzyl-2-chloroquinazolin-4-amine","","- C15 H12 Cl N3 -","- C15 H12 Cl N3 -","- C60 H48 Cl4 N12 -","4","2","LH5690","Mohamed, Tarek; Assoud, Abdeljalil; Rao, Praveen P. N.","<i>N</i>-Benzyl-2-chloroquinazolin-4-amine","Acta Crystallographica Section E","2014","70","5","o554","","10.1107/S1600536814006746","","","0.71073","MoKα","","0.0514","0.0394","","","0.0795","0.0857","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239341","7.08","0.0003","9.8644","0.0003","10.6156","0.0004","90","","90","","90","","741.39","0.05","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","β-<i>D</i>-Gulose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Ishii, Tomohiko; Ohga, Shunsuke; Fukada, Kazuhiro; Morimoto, Kenji; Sakane, Genta","β-<small>D</small>-Gulose","Acta Crystallographica Section E","2014","70","5","o569","","10.1107/S1600536814008046","","","1.54187","CuKα","","","0.0354","","","","0.0729","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239342","8.8813","0.0003","6.5976","0.0002","26.5044","0.0008","90","","97.635","0.001","90","","1539.26","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-2,7-dimethyl-3-(3-methylphenylsulfonyl)-1-benzofuran","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","BH2497","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2,7-dimethyl-3-(3-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","5","o567","","10.1107/S1600536814008149","","","0.71073","MoKα","","0.0414","0.0307","","","0.0746","0.0805","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239343","8.8707","0.0002","6.5281","0.0002","26.3574","0.0006","90","","96.998","0.001","90","","1514.96","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Chloro-2,7-dimethyl-3-(3-methylphenylsulfonyl)-1-benzofuran","","- C17 H15 Cl O3 S -","- C17 H15 Cl O3 S -","- C68 H60 Cl4 O12 S4 -","4","1","IM2452","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Chloro-2,7-dimethyl-3-(3-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","5","o568","","10.1107/S1600536814007892","","","0.71073","MoKα","","0.0419","0.0349","","","0.092","0.097","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239344","13.208","0.009","10.783","0.006","17.255","0.011","90","","112.33","0.02","90","","2273","2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>tert</i>-Butyl 2-(5-{[4-(dimethylamino)phenyl]diazenyl}-2,6-dioxo-1<i>H</i>-pyrimidin-3-yl)acetate dichloromethane monosolvate","","- C19 H25 Cl2 N5 O4 -","- C19 H25 Cl2 N5 O4 -","- C76 H100 Cl8 N20 O16 -","4","1","ZP2013","Hudson, Robert H. E.; Moustafa, Mohamed E.; Boyle, Paul D.","(<i>E</i>)-<i>tert</i>-Butyl 2-(5-{[4-(dimethylamino)phenyl]diazenyl}-2,6-dioxo-1<i>H</i>-pyrimidin-3-yl)acetate dichloromethane monosolvate","Acta Crystallographica Section E","2014","70","5","o556","o557","10.1107/S1600536814007521","","","0.71073","MoKα","","0.1093","0.0505","","","0.1057","0.1282","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239345","6.5743","0.0018","6.967","0.003","10.35","0.004","71.02","0.03","85.53","0.03","70.67","0.03","422.8","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","6-Bromo-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H5 Br O3 -","- C10 H5 Br O3 -","- C20 H10 Br2 O6 -","2","1","","Ishikawa, Yoshinobu","6-Bromo-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","5","o555","","10.1107/S160053681400796X","","","0.71069","MoKα","","","0.0296","","","","0.0766","","","","","","1.156","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239346","5.347","0.0003","21.0622","0.0012","17.0379","0.0009","90","","97.699","0.003","90","","1901.5","0.18","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(2,3,4,5,6-Pentamethylbenzyl)-2-(pyridin-2-yl)-1<i>H</i>-benzimidazole","","- C24 H25 N3 -","- C24 H25 N3 -","- C96 H100 N12 -","4","1","RZ5115","Anĝay, Fırat; Çelik, Ömer; Barlık, Orhan; Ulusoy, Mahmut","1-(2,3,4,5,6-Pentamethylbenzyl)-2-(pyridin-2-yl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2014","70","5","o563","o564","10.1107/S1600536814007934","","","0.71073","MoKα","","0.0636","0.0521","","","0.1414","0.1499","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239347","9.3027","0.0006","8.7038","0.0005","14.5503","0.0008","90","","109.143","0.003","90","","1112.97","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Thioureido-1<i>H</i>-benzimidazol-3-ium chloride monohydrate","","- C8 H11 Cl N4 O S -","- C8 H11 Cl N4 O S -","- C32 H44 Cl4 N16 O4 S4 -","4","1","","Sundaresan, C. N.; Singh, Dheeraj Kumar; Nanubolu, Jagadeesh Babu","2-Thioureido-1<i>H</i>-benzimidazol-3-ium chloride monohydrate","Acta Crystallographica Section E","2014","70","5","o553","","10.1107/S1600536814006837","","","0.71073","MoKα","","0.0339","0.0315","","","0.0813","0.0829","","","","","","1.071","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239348","15.7726","0.0009","15.7726","0.0009","3.8399","0.0006","90","","90","","90","","955.27","0.17","298","2","298","2","","","","","","","","3","I 4/m","-I 4","87","","Nonaniobium vanadium pentacosaoxide","","- Nb9 O25 V -","- Nb9 O25 V -","- Nb18 O50 V2 -","2","0.125","VN2081","Nasri, Rawia; Chérif, Saïda Fatma; Zid, Mohamed Faouzi; Driss, Ahmed","β-Nb9VO25","Acta Crystallographica Section E Structure Reports Online","2014","70","5","i20","","10.1107/S1600536814007831","","","0.71073","MoKα","","0.0826","0.0344","","","0.0709","0.0856","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239349","10.715","0.0003","11.1039","0.0002","16.3611","0.0004","90","","100.975","0.002","90","","1911.01","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Poly[[nonaaquabis(μ-5-hydroxybenzene-1,3-dicarboxylato)(5-hydroxybenzene-1,3-dicarboxylato)dicerium(III)] hexahydrate]","","- C24 H42 Ce2 O30 -","- C24 H12 Ce2 O30 -","- C48 H24 Ce4 O60 -","2","1","LR2124","Fan, Xiao; Daiguebonne, Carole; Guillou, Olivier; Camara, Magatte","Poly[[nonaaquabis(μ-5-hydroxybenzene-1,3-dicarboxylato)(5-hydroxybenzene-1,3-dicarboxylato)dicerium(III)] hexahydrate]","Acta Crystallographica Section E","2014","70","5","m181","m182","10.1107/S1600536814007727","","","0.71073","MoKα","","0.0423","0.0349","","","0.0838","0.0882","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239350","23.0916","0.0011","23.952","0.0011","8.6426","0.0004","90","","90","","90","","4780.1","0.4","200","2","200","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","2,8,15,18,21,24,31,37,44,47,50,53-Dodecaoxaheptacyclo[52.4.0.0^4,35^.0^6,33^.0^9,14^.0^25,30^.0^38,43^]octapentaconta-1(54),4,6(33),9(14),10,12,25(30),26,28,34,38(43),39,41,55,57-pentadecaene dichloromethane disolvate","","- C48 H54 Cl4 O12 -","- C48 H54 Cl4 O12 -","- C192 H216 Cl16 O48 -","4","0.5","","Yun, Ji Ye; Ahn, Sung Wan; Kim, Dong Hwan; Sim, Wonbo; Lee, Jai Young","2,8,15,18,21,24,31,37,44,47,50,53-Dodecaoxaheptacyclo[52.4.0.0^4,35^.0^6,33^.0^9,14^.0^25,30^.0^38,43^]octapentaconta-1(54),4,6(33),9(14),10,12,25(30),26,28,34,38(43),39,41,55,57-pentadecaene dichloromethane disolvate","Acta Crystallographica Section E","2014","70","5","o558","","10.1107/S1600536814007971","","","0.71073","MoKα","","0.0949","0.0506","","","0.111","0.1361","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239351","7.759","0.01","8.543","0.007","11.047","0.015","103.55","0.11","95.53","0.12","94.6","0.09","704.5","1.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-4-Methyl-<i>N</i>'-[(4-oxo-4<i>H</i>-chromen-3-yl)methylidene]benzohydrazide","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C36 H28 N4 O6 -","2","1","","Ishikawa, Yoshinobu; Watanabe, Kohzoh","(<i>E</i>)-4-Methyl-<i>N</i>'-[(4-oxo-4<i>H</i>-chromen-3-yl)methylidene]benzohydrazide","Acta Crystallographica Section E","2014","70","5","o565","","10.1107/S1600536814008113","","","0.71069","MoKα","","","0.0539","","","","0.1869","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239352","6.5377","0.0001","9.1848","0.0002","23.2699","0.0005","90","","90","","90","","1397.3","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 4-<i>O</i>-benzyl-α-<i>L</i>-rhamnopyranoside","","- C14 H20 O5 -","- C14 H20 O5 -","- C56 H80 O20 -","4","1","","Pendrill, Robert; Eriksson, Lars; Widmalm, Göran","Methyl 4-<i>O</i>-benzyl-α-<small>L</small>-rhamnopyranoside","Acta Crystallographica Section E","2014","70","5","o561","o562","10.1107/S1600536814007922","","","0.71073","MoKα","","0.0446","0.0346","","","0.0782","0.0814","","","","","","0.997","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239353","9.3611","0.0018","12.022","0.002","25.358","0.005","90","","91.536","0.004","90","","2852.7","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1102","(2.2.2-Cryptand)potassium tetracarbonylcobaltate(-I)","","- C22 H36 Co K N2 O10 -","- C22 H36 Co K N2 O10 -","- C88 H144 Co4 K4 N8 O40 -","4","1","NK2222","Brennessel, William W.; Ellis, John E.","(2.2.2-Cryptand)potassium tetracarbonylcobaltate({-}I)","Acta Crystallographica Section E","2014","70","5","m180","","10.1107/S1600536814006758","","","0.71073","MoKα","","0.0637","0.04","","","0.085","0.0931","","","","","","0.918","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239354","7.7658","0.0002","8.3529","0.0003","12.9732","0.0004","74.253","0.002","75.048","0.002","66.046","0.001","729.66","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(2-Fluorophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran","","- C17 H15 F O3 S -","- C17 H15 F O3 S -","- C34 H30 F2 O6 S2 -","2","1","ZQ2222","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(2-Fluorophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","5","o566","","10.1107/S1600536814007909","","","0.71073","MoKα","","0.0432","0.0378","","","0.1002","0.1043","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239355","7.0253","0.0009","10.907","0.0014","11.3218","0.0014","99.345","0.002","99.266","0.002","102.513","0.002","818.17","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-[2,6-Bis(pyrazin-2-yl)pyridin-4-yl]benzoic acid","","- C20 H13 N5 O2 -","- C20 H13 N5 O2 -","- C40 H26 N10 O4 -","2","1","MW2121","Shuai, Ying; Wang, Xiang-Yang; Dai, Jing-Wei; Wu, Jian-Zhong","2-[2,6-Bis(pyrazin-2-yl)pyridin-4-yl]benzoic acid","Acta Crystallographica Section E","2014","70","5","o577","o578","10.1107/S1600536814008496","","","0.71073","MoKα","","0.0992","0.0493","","","0.1082","0.1369","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239356","13.9312","0.0011","9.2315","0.0007","27.423","0.002","90","","90","","90","","3526.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[aquazinc(II)]-μ-<i>N</i>,<i>N</i>'-bis(2-cyano-\ 3-ethoxy-3-oxoprop-1-enyl)benzene-1,2-diaminido]","","- C18 H18 N4 O5 Zn -","- C18 H18 N4 O5 Zn -","- C144 H144 N32 O40 Zn8 -","8","1","NK2220","Fuchs, Monica; Zevaco, Thomas; Dinjus, Eckhard; Walter, Olaf","<i>catena</i>-Poly[[aquazinc(II)]-μ-<i>N</i>,<i>N</i>'-bis(2-cyano-3-ethoxy-3-oxoprop-1-enyl)benzene-1,2-diaminido]","Acta Crystallographica Section E","2014","70","5","m187","m188","10.1107/S1600536814008381","","","0.71073","MoKα","","0.028","0.0231","","","0.0606","0.0633","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239357","8.84813","0.00017","12.5563","0.0002","18.4384","0.0004","90","","102.363","0.002","90","","2001","0.07","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","{2-[(2-Bromo-5-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-3-yl}(phenyl)methanone","{2-[(2-Bromo-5-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-3-yl}(phenyl)methanone","","- C23 H20 Br N O2 S -","- C23 H20 Br N O2 S -","- C92 H80 Br4 N4 O8 S4 -","4","1","SU2721","Kaur, Manpreet; Jasinski, Jerry P.; Yamuna, Thammarse S.; Yathirajan, H. S.; Byrappa, K.","{2-[(2-Bromo-5-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-3-yl}(phenyl)methanone","Acta Crystallographica Section E","2014","70","5","o581","o582","10.1107/S1600536814008290","","","1.54184","CuKα","","0.0356","0.0315","","","0.0833","0.0866","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239358","11.5386","0.00018","5.387","0.00009","23.2433","0.0004","90","","92.1048","0.0016","90","","1443.79","0.04","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]indoline-2,3-dione","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C72 H56 N16 O8 -","4","1","BT6975","Qachchachi, Fatima-Zahrae; Kandri Rodi, Youssef; Essassi, El Mokhtar; Bodensteiner, Michael; El Ammari, Lahcen","1-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]indoline-2,3-dione","Acta Crystallographica Section E","2014","70","5","o588","","10.1107/S1600536814008423","","","1.54184","CuKα","","0.0518","0.0447","","","0.1179","0.1234","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239359","8.3066","0.0004","10.4856","0.0005","11.2303","0.0007","79.623","0.002","89.868","0.002","82.357","0.002","953.37","0.09","150","","150","2","","","","","","","","4","P -1","-P 1","2","","2-(3,4-dihydroxyphenyl)ethanaminium nitrate","","- C8 H12 N2 O5 -","- C8 H12 N2 O5 -","- C32 H48 N8 O20 -","4","2","BG2526","Gatfaoui, Sofian; Marouani, Houda; Roisnel, Thierry; Dhaouadi, Hassouna","Dopaminium nitrate","Acta Crystallographica Section E","2014","70","5","o571","o572","10.1107/S1600536814008265","","","0.71073","MoKα","","0.0521","0.0427","","","0.1077","0.1133","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239360","7.3064","0.0015","9.1055","0.0018","9.7291","0.0019","96.47","0.03","101.68","0.03","109.83","0.03","584.6","0.3","123.15","","123","2","","","","","","","","4","P -1","-P 1","2","","1,10-Phenanthroline-5,6-dione ethanol monosolvate","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","XU5783","Dai, Jing-Wei; Li, Zhao-Yang; Sato, Osamu","1,10-Phenanthroline-5,6-dione ethanol monosolvate","Acta Crystallographica Section E","2014","70","5","o573","","10.1107/S1600536814008241","","","0.71073","MoKα","","0.0424","0.0395","","","0.1111","0.1141","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239361","8.367","0.0002","9.4319","0.0002","12.8948","0.0004","102.505","0.001","106.493","0.001","94.84","0.001","940.96","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-amino-4-(3-nitrophenyl)-4<i>H</i>-1-benzothieno[3,2-<i>b</i>]pyran-3-carboxylate","","- C20 H16 N2 O5 S -","- C20 H16 N2 O5 S -","- C40 H32 N4 O10 S2 -","2","1","RZ5118","Bakhouch, Mohamed; Al Houari, Ghali; El Yazidi, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 2-amino-4-(3-nitrophenyl)-4<i>H</i>-1-benzothieno[3,2-<i>b</i>]pyran-3-carboxylate","Acta Crystallographica Section E","2014","70","5","o587","","10.1107/S1600536814008538","","","0.71073","MoKα","","0.0542","0.0436","","","0.1262","0.1365","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239362","7.0836","0.0003","11.7898","0.0003","14.2951","0.0004","78.079","0.002","79.862","0.003","73.782","0.003","1112.68","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","Aquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dinitrate","","- C24 H18 Cu N6 O7 -","- C24 H18 Cu N6 O7 -","- C48 H36 Cu2 N12 O14 -","2","1","IM2451","Boutebdja, Mehdi; Lehleh, Asma; Beghidja, Adel; Setifi, Zouaoui; Merazig, Hocine","A new polymorph of aquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dinitrate","Acta Crystallographica Section E","2014","70","5","m185","m186","10.1107/S1600536814008198","","","0.71073","MoKα","","0.066","0.0576","","","0.1654","0.1723","","","","","","1.172","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239363","6.0205","0.0003","12.9441","0.0006","17.1071","0.0009","90","","90","","90","","1333.16","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[Ethyl(2-hydroxyethyl)carbamothioyl]-3-fluorobenzamide","","- C12 H15 F N2 O2 S -","- C12 H15 F N2 O2 S -","- C48 H60 F4 N8 O8 S4 -","4","1","BQ2395","Awang, Nor Wahida.; Hasbullah, Siti Aishah; Yusoff, Siti Fairus M.; Yamin, Bohari M.","<i>N</i>-[Ethyl(2-hydroxyethyl)carbamothioyl]-3-fluorobenzamide","Acta Crystallographica Section E","2014","70","5","o570","","10.1107/S1600536814008174","","","0.71073","MoKα","","0.0462","0.0362","","","0.0817","0.0863","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239364","8.6652","0.0001","9.4596","0.0001","10.3457","0.0001","105.545","0.0007","98.9293","0.0007","101.537","0.0006","780.669","0.015","223","","223","","","","","","","","","4","P -1","-P 1","2","2DBNS","<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)dibenzenecarbothioamide","","- C16 H16 N2 S2 -","- C16 H16 N2 S2 -","- C32 H32 N4 S4 -","2","1","IS5357","Nagasawa, Masayuki; Sasanuma, Yuji; Masu, Hyuma","<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)dibenzenecarbothioamide","Acta Crystallographica Section E","2014","70","5","o586","","10.1107/S1600536814008368","","","1.54178","CuKα","","0.0314","0.0293","","","0.0816","0.0834","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239365","8.7823","0.0003","9.6068","0.0003","12.4894","0.0004","90","","94.834","0.003","90","","1049.98","0.06","173","2","173","2","","","","","","","","3","P 1 n 1","P -2yac","7","(<i>Z</i>)-1-Diphenylmethyl-4-(3-phenylprop-2-enyl)piperazine","(<i>Z</i>)-1-Diphenylmethyl-4-(3-phenylprop-2-enyl)piperazine","","- C26 H28 N2 -","- C26 H28 N2 -","- C52 H56 N4 -","2","1","HB7219","Shivaprakash, S.; Chandrasekara Reddy, G.; Jasinski, Jerry P.","(<i>Z</i>)-1-Diphenylmethyl-4-(3-phenylprop-2-enyl)piperazine","Acta Crystallographica Section E","2014","70","5","o576","","10.1107/S1600536814008289","","","1.54184","CuKα","","0.0367","0.0351","","","0.0946","0.0963","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239366","24.2105","0.0013","24.2105","0.0013","15.7745","0.0009","90","","90","","120","","8007.4","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","4-(4-Bromophenyl)-7,7-dimethyl-2-methylamino-3-nitro-7,8-dihydro-4<i>H</i>-chromen-5(6<i>H</i>)-one","","- C18 H19 Br N2 O4 -","- C18 H19 Br N2 O4 -","- C324 H342 Br18 N36 O72 -","18","1","SU2714","Inglebert, S. Antony; Kamalraja, Jayabal; Sethusankar, K.; Vasuki, Gnanasambandam","4-(4-Bromophenyl)-7,7-dimethyl-2-methylamino-3-nitro-7,8-dihydro-4<i>H</i>-chromen-5(6<i>H</i>)-one including an unknown solvate","Acta Crystallographica Section E","2014","70","5","o579","o580","10.1107/S1600536814007983","","","0.71073","MoKα","","0.0507","0.0379","","","0.1008","0.1053","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239367","7.853","0.0019","5.602","0.0017","17.987","0.005","90","","95.09","0.02","90","","788.2","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H5 F O3 -","- C10 H5 F O3 -","- C40 H20 F4 O12 -","4","1","","Ishikawa, Yoshinobu","6-Fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","5","o583","","10.1107/S1600536814008502","","","0.71069","MoKα","","","0.036","","","","0.1063","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239368","10.8558","0.0015","6.1867","0.0009","12.3057","0.0017","90","","94.911","0.004","90","","823.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>O</i>-Ethyl <i>S</i>-{(<i>S</i>)-1-oxo-1-[(<i>R</i>)-2-oxo-4-phenyloxazolidin-3-yl]propan-2-yl} carbonodithioate","","- C15 H17 N O4 S2 -","- C15 H17 N O4 S2 -","- C30 H34 N2 O8 S4 -","2","1","SU2715","García-Merinos, J. Pablo; López-Ruiz, Heraclio; López, Yliana; Rojas-Lima, Susana","<i>O</i>-Ethyl <i>S</i>-{(<i>S</i>)-1-oxo-1-[(<i>R</i>)-2-oxo-4-phenyloxazolidin-3-yl]propan-2-yl} carbonodithioate","Acta Crystallographica Section E","2014","70","5","o584","o585","10.1107/S1600536814007636","","","0.71073","MoKα","","0.1195","0.0665","","","0.1489","0.1908","","","","","","0.871","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239369","6.297","0.003","16.418","0.008","12.29","0.006","90","","90.997","0.007","90","","1270.4","1.1","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C11 H11 Cl N4 O S -","- C11 H11 Cl N4 O S -","- C44 H44 Cl4 N16 O4 S4 -","4","2","HB7205","Yuan, Cai-Xia; Yao, Xu-Mei; Zhu, Miao-Li; Zhu, Hong-Mei","4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2014","70","5","o574","o575","10.1107/S1600536814008320","","","0.71073","MoKα","","0.0544","0.0368","","","0.0764","0.0841","","","","","","1.025","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239370","7.0109","0.0004","10.6617","0.0008","10.7454","0.0007","93.075","0.006","95.863","0.005","104.944","0.006","769.3","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1-3-aminopropyl imidazolium 3,5- dinitrosalicylate","3-(1<i>H</i>-Imidazol-1-yl)propanaminium 2-carboxy-4,6-dinitrophenolate","","- C13 H15 N5 O7 -","- C13 H15 N5 O7 -","- C26 H30 N10 O14 -","2","1","FJ2659","Yamuna, Thammarse S.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H.S.","3-(1<i>H</i>-Imidazol-1-yl)propanaminium 2-carboxy-4,6-dinitrophenolate","Acta Crystallographica Section E","2014","70","3","o318","o319","10.1107/S1600536814003146","","","1.54184","CuKα","","0.0475","0.0422","","","0.1151","0.1216","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239371","12.437","0.003","12.437","0.003","17.29","0.004","90","","90","","90","","2674.4","1.1","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Bis(dicyclohexylammonium) sulfate dihydrate","","- C24 H52 N2 O6 S -","- C24 H52 N2 O6 S -","- C96 H208 N8 O24 S4 -","4","0.25","","Ndoye, Daouda; Sow, Mouhamadou M.; Diop, Libasse","Bis(dicyclohexylammonium) sulfate dihydrate","Acta Crystallographica Section E","2014","70","3","o237","","10.1107/S1600536814000968","","","0.71073","MoKα","","0.0278","0.0257","","","0.072","0.0745","","","","","","1.158","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239372","9.9819","0.0004","10.0564","0.0004","13.6641","0.0006","99.539","0.002","92.087","0.002","99.122","0.002","1332.79","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-benzyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)dichloridozinc","","- C28 H24 Cl2 N4 Zn -","- C28 H24 Cl2 N4 Zn -","- C56 H48 Cl4 N8 Zn2 -","2","1","RZ5104","Bouhfid, Rachid; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Bis(1-benzyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)dichloridozinc","Acta Crystallographica Section E","2014","70","3","m94","m95","10.1107/S1600536814002840","","","0.71073","MoKα","","0.0527","0.0387","","","0.0968","0.1075","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239373","15.411","0.003","7.235","0.001","7.604","0.001","90","","91.65","0.03","90","","847.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis[<i>N</i>-(2-fluorobenzyl)-<i>N</i>-nitrosohydroxylaminato-κ^2^<i>O</i>,<i>O</i>']nickel(II)","","- C14 H16 F2 N4 Ni O6 -","- C14 H16 F2 N4 Ni O6 -","- C28 H32 F4 N8 Ni2 O12 -","2","0.5","BV2230","Kovalchukova, Olga; Bostanabad, Ali Sheikh; Stash, Adam; Strashnova, Svetlana; Zyuzin, Igor","Diaquabis[<i>N</i>-(2-fluorobenzyl)-<i>N</i>-nitrosohydroxylaminato-κ^2^<i>O</i>,<i>O</i>']nickel(II)","Acta Crystallographica Section E","2014","70","3","m98","m99","10.1107/S1600536814002876","","","0.71073","MoKα","","0.0675","0.0222","","","0.0627","0.0661","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239374","10.1936","0.0008","24.1959","0.0018","6.3218","0.0004","90","","91.161","0.004","90","","1558.9","0.2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Tetracalcium magnesium tetrairon(III) hexakis-phosphate tetrahydroxide dodecahydrate","","- Al1.07 Ca3.94 Fe2.93 H28 Mg1.01 O40 P6 Sr0.06 -","- Al1.07 Ca3.94 Fe2.93 H20 Mg1.01 O40 P6 Sr0.06 -","- Al2.14 Ca7.88 Fe5.86 H40 Mg2.02 O80 P12 Sr0.12 -","2","0.25","WM5004","Lafuente, Barbara; Downs, Robert T.; Yang, Hexiong; Jenkins, Robert A.","Calcioferrite with composition (Ca~3.94~Sr~0.06~)Mg~1.01~(Fe~2.93~Al~1.07~)(PO~4~)~6~(OH)~4~·12H~2~O","Acta Crystallographica Section E","2014","70","3","i16","i17","10.1107/S1600536814004061","","","0.71073","MoKα","","0.0646","0.0385","","","0.0853","0.094","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239375","16.9967","0.0006","8.599","0.0003","12.415","0.0005","90","","90.923","0.003","90","","1814.27","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Piperonylpiperazinium p-chlorobenzoate","1-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-ium 4-chlorobenzoate","","- C19 H21 Cl N2 O4 -","- C19 H21 Cl N2 O4 -","- C76 H84 Cl4 N8 O16 -","4","1","LH5687","Kavitha, Channappa N.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H. S.","1-Piperonylpiperazinium 4-chlorobenzoate","Acta Crystallographica Section E","2014","70","3","o283","o284","10.1107/S1600536814002037","","","0.71073","MoKα","","0.0754","0.0475","","","0.1046","0.1195","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239376","11.7872","0.0012","5.3498","0.0005","13.8817","0.0014","90","","99.913","0.001","90","","862.3","0.15","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","Diaquabis(cinnamato-κ^2^<i>O</i>,<i>O</i>')cadmium","","- C18 H18 Cd O6 -","- C18 H18 Cd O6 -","- C36 H36 Cd2 O12 -","2","0.5","LH5688","Chooset, Sirinart; Cunningham, Bryan; Kantacha, Anob; Zeller, Matthias; Wongnawa, Sumpun","Diaquabis(cinnamato-κ^2^<i>O</i>,<i>O</i>')cadmium","Acta Crystallographica Section E","2014","70","3","m106","m107","10.1107/S160053681400364X","","","0.71073","MoKα","","0.0198","0.0197","","","0.0458","0.0459","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239377","15.6587","0.0005","6.9359","0.0003","30.1928","0.0016","90","","90","","90","","3279.2","0.2","293","2","293","2","","","","","","","","5","P n a m","-P 2c 2n","62","","[<i>N</i>,<i>N</i>'-Bis(2,6-diethyl-4-phenylphenyl)butane-2,3-diimine-κ^2^<i>N</i>,<i>N</i>']dibromidonickel(II)","","- C36 H40 Br2 N2 Ni -","- C36 H40 Br2 N2 Ni -","- C144 H160 Br8 N8 Ni4 -","4","0.5","","Yuan, Jianchao; Xia, Jingjing; Xu, Weibing; Mu, Yanqiong","[<i>N</i>,<i>N</i>'-Bis(2,6-diethyl-4-phenylphenyl)butane-2,3-diimine-κ^2^<i>N</i>,<i>N</i>']dibromidonickel(II)","Acta Crystallographica Section E","2014","70","3","m102","","10.1107/S160053681400292X","","","0.71073","MoKα","","0.0736","0.043","","","0.0853","0.096","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239378","35.544","0.004","6.1194","0.0005","16.505","0.0019","90","","113.273","0.004","90","","3297.9","0.6","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,6-Dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole","","- C20 H18 N4 -","- C20 H18 N4 -","- C160 H144 N32 -","8","1","FK2079","Geiger, David K.; DeStefano, Matthew R.","5,6-Dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2014","70","3","o365","","10.1107/S1600536814003870","","","0.71073","MoKα","","0.0873","0.0556","","","0.1367","0.1539","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239379","7.3269","0.0007","9.8923","0.0011","10.7668","0.0011","102.408","0.009","109.255","0.009","98.951","0.009","697.48","0.14","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","1-(3,4-Dimethoxyphenyl)-3-phenylprop-2-en-1-one","","- C17 H16 O3 -","- C17 H16 O3 -","- C34 H32 O6 -","2","1","BT6962","Umesha, Basavaiah; Basavaraju, Yeriyur Basavaiah; Kaur, Manpreet; Yathirajan, Hemmige S.; Jasinski, Jerry P.","1-(3,4-Dimethoxyphenyl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2014","70","3","o368","","10.1107/S160053681400378X","","","1.54184","CuKα","","0.057","0.0511","","","0.1427","0.1515","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239380","10.083","0.0005","10.2775","0.0005","34.6579","0.0017","97.54","0.003","96.028","0.003","97.138","0.003","3505.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(3a<i>R</i>*,8b<i>R</i>*)-3a,8b-Dihydroxy-1-(4-methylphenyl)-2-methylsulfanyl-3-nitro-1,8b-dihydroindeno[1,2-<i>b</i>]pyrrol-4(3a<i>H</i>)-one","","- C19 H16 N2 O5 S -","- C19 H16 N2 O5 S -","- C152 H128 N16 O40 S8 -","8","4","BH2494","Nagalakshmi, R. A.; Suresh, J.; Kumar, R. Ranjith; Jeyachandran, V.; Lakshman, P. L. Nilantha","(3a<i>R</i>*,8b<i>R</i>*)-3a,8b-Dihydroxy-1-(4-methylphenyl)-2-methylsulfanyl-3-nitro-1,8b-dihydroindeno[1,2-<i>b</i>]pyrrol-4(3a<i>H</i>)-one","Acta Crystallographica Section E","2014","70","3","o279","o280","10.1107/S1600536814002712","","","0.71073","MoKα","","0.0897","0.069","","","0.1758","0.1876","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239381","8.052","0.0005","10.4193","0.0007","10.531","0.0011","108.423","0.004","95.142","0.004","111.617","0.003","757.71","0.11","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2,2'-dinitrobiphenyl-4,4'-dicarboxylate","","- C16 H12 N2 O8 -","- C16 H12 N2 O8 -","- C32 H24 N4 O16 -","2","1","","Lehane, Ryan L.; Golen, James A.; Rheingold, Arnold L.; Manke, David R.","Dimethyl 2,2'-dinitrobiphenyl-4,4'-dicarboxylate","Acta Crystallographica Section E","2014","70","3","o305","","10.1107/S1600536814003067","","","0.71073","MoKα","","0.0442","0.0343","","","0.089","0.0956","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239382","9.3748","0.0013","18.598","0.003","10.0941","0.0014","90","","101.044","0.002","90","","1727.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diphenyl[(phenylsulfanyl)methyl]-λ^5^-phosphanethione","","- C19 H17 P S2 -","- C19 H17 P S2 -","- C76 H68 P4 S8 -","4","1","WM5008","Gessner, Viktoria H.","Diphenyl[(phenylsulfanyl)methyl]-λ^5^-phosphanethione","Acta Crystallographica Section E","2014","70","3","o374","","10.1107/S1600536814004292","","","0.71073","MoKα","","0.0386","0.034","","","0.0876","0.0908","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239383","7.5159","0.0001","14.0478","0.0003","18.205","0.0003","90","","90","","90","","1922.12","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Methyl-3-phenylimidazolidine-2-thione","","- C10 H12 N2 S -","- C10 H12 N2 S -","- C80 H96 N16 S8 -","8","2","","Nor, Nabihah Al Muna Mohd; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.","1-Methyl-3-phenylimidazolidine-2-thione","Acta Crystallographica Section E","2014","70","3","o334","","10.1107/S1600536814003626","","","1.54184","CuKα","","0.0341","0.0327","","","0.0885","0.0898","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239384","11.3478","0.0011","3.7101","0.0005","27.723","0.002","90","","94.979","0.009","90","","1162.8","0.2","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-formyl-2-nitrophenyl benzoate","4-Formyl-2-nitrophenyl benzoate","","- C14 H9 N O5 -","- C14 H9 N O5 -","- C56 H36 N4 O20 -","4","1","HG5380","Moreno-Fuquen, Rodolfo; Hernandez, Geraldine; Kennedy, Alan R.","4-Formyl-2-nitrophenyl benzoate","Acta Crystallographica Section E","2014","70","3","o268","","10.1107/S1600536814002694","","","1.5418","CuKα","","0.0979","0.0647","","","0.1551","0.1902","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239385","7.852","0.002","10.616","0.003","12.2","0.003","70.774","0.009","77.8","0.009","84.172","0.01","938","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","Bis[5-methoxy-2-(methoxycarbonyl)phenyl] methylphosphonate","","- C19 H21 O9 P -","- C19 H21 O9 P -","- C38 H42 O18 P2 -","2","1","BH2491","Hussain, Saghir; Deli, Yang; Parveen, Shagufta; Hao, Xin; Zhu, Changjin","Bis[5-methoxy-2-(methoxycarbonyl)phenyl] methylphosphonate","Acta Crystallographica Section E","2014","70","3","o269","","10.1107/S1600536814002542","","","0.71073","MoKα","","0.0476","0.0396","","","0.0972","0.1024","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239386","6.4461","0.0001","8.4063","0.0002","12.4249","0.0002","82.172","0.001","78.24","0.001","89.465","0.001","652.89","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Dichloridodimethylbis(thiourea-κ<i>S</i>)tin(IV)","","- C4 H14 Cl2 N4 S2 Sn -","- C4 H14 Cl2 N4 S2 Sn -","- C8 H28 Cl4 N8 S4 Sn2 -","2","1","WM5003","Sow, Yaya; Diop, Libasse; Fernandes, Manuel A.; Stoeckli-Evans, Helen","Dichloridodimethylbis(thiourea-κ<i>S</i>)tin(IV)","Acta Crystallographica Section E","2014","70","3","m83","","10.1107/S1600536814002025","","","0.71073","MoKα","","0.0246","0.0211","","","0.0522","0.0534","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239387","9.681","0.0004","10.429","0.0004","11.884","0.0005","69.288","0.002","74.895","0.002","63.406","0.002","996.03","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","9-(2,4-Difluorophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-2<i>H</i>-xanthene-1,8-dione","","- C23 H24 F2 O3 -","- C23 H24 F2 O3 -","- C46 H48 F4 O6 -","2","1","SU2696","Rizwana Begum, S.; Hema, R.; Sumathi, G.; Valliappan, R.; Srinivasan, N.","9-(2,4-Difluorophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-2<i>H</i>-xanthene-1,8-dione","Acta Crystallographica Section E","2014","70","3","o276","o277","10.1107/S1600536814002761","","","0.71073","MoKα","","0.0822","0.0475","","","0.1267","0.1471","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239388","23.166","0.005","11.003","0.002","9.633","0.0019","90","","91.67","0.03","90","","2454.4","0.8","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","<i>r</i>-1,<i>t</i>-3-Bis[4-(dimethylamino)phenyl]-<i>c</i>-2,<i>t</i>-4-bis(pyridin-4-yl)cyclobutane","","- C30 H32 N4 -","- C30 H32 N4 -","- C120 H128 N16 -","4","0.5","MW2110","Zhang, Shuguang; Zhuang, Junpeng","<i>r</i>-1,<i>t</i>-3-Bis[4-(dimethylamino)phenyl]-<i>c</i>-2,<i>t</i>-4-bis(pyridin-4-yl)cyclobutane","Acta Crystallographica Section E","2014","70","3","o311","","10.1107/S1600536814002311","","","0.71073","MoKα","","0.0565","0.045","","","0.1133","0.1209","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239389","3.8338","0.0004","12.6784","0.0013","24.918","0.002","81.875","0.008","88.386","0.007","85.46","0.008","1195.1","0.2","123","","123","","","","","","","","","5","P -1","-P 1","2","4-Bromo-<i>N</i>-(2-nitrophenyl)benzamide","4-Bromo-<i>N</i>-(2-nitrophenyl)-benzamide","","- C13 H9 Br N2 O3 -","- C13 H9 Br N2 O3 -","- C52 H36 Br4 N8 O12 -","4","2","GG2134","Moreno-Fuquen, Rodolfo; Azcárate, Alexis; Kennedy, Alan R.","4-Bromo-<i>N</i>-(2-nitrophenyl)benzamide","Acta Crystallographica Section E","2014","70","3","o344","","10.1107/S1600536814003298","","","0.71073","MoKα","","0.0711","0.0491","","","0.1176","0.1354","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239390","7.0939","0.0007","7.9452","0.0007","8.5658","0.0006","80.464","0.007","85.76","0.007","63.881","0.009","427.5","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","1-(Prop-2-ynyl)indoline-2,3-dione","","- C11 H7 N O2 -","- C11 H7 N O2 -","- C22 H14 N2 O4 -","2","1","TK5296","Qachchachi, Fatima-Zahrae; Ouazzani Chahdi, Fouad; Misbahi, Houria; Bodensteiner, Michael; El Ammari, Lahcen","1-(Prop-2-ynyl)indoline-2,3-dione","Acta Crystallographica Section E","2014","70","3","o360","","10.1107/S1600536814003973","","","1.54184","CuKα","","0.0426","0.0372","","","0.0902","0.0942","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239391","8.7866","0.0002","9.6082","0.0002","21.0088","0.0005","90","","90","","90","","1773.63","0.07","90","0.2","90","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Melampomagnolide B","4-(((1a<i>R</i>,7a<i>S</i>,10a<i>S</i>,10b<i>S</i>,<i>E</i>)-1a-Methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[2',3':9,10]cyclodeca[1,2-<i>b</i>]furan-5-yl)methoxy)-4-oxobutanoic acid","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","1","SJ5379","Janganati, Venumadhav; Penthala, Narsimha Reddy; Madadi, Nikhil Reddy; Parkin, Sean; Crooks, Peter A.","Monosuccinate ester of melampomagnolide B","Acta Crystallographica Section E","2014","70","3","o372","o373","10.1107/S1600536814002815","","","1.54178","CuKα","","0.024","0.0239","","","0.0621","0.0622","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239392","5.4014","0.0001","11.5633","0.0003","9.6283","0.0002","90","","101.837","0.003","90","","588.58","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaquabis(pyridazine-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)copper(II)","","- C10 H10 Cu N4 O6 -","- C10 H10 Cu N4 O6 -","- C20 H20 Cu2 N8 O12 -","2","0.5","IS5342","Pache, Aroa; Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Gutiérrez-Zorrilla, Juan M.","<i>trans</i>-Diaquabis(pyridazine-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)copper(II)","Acta Crystallographica Section E","2014","70","3","m114","m115","10.1107/S1600536814004334","","","0.71073","MoKα","","0.032","0.0272","","","0.0619","0.0654","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239393","7.425","0.0002","10.5716","0.0003","12.0747","0.0003","90","","90.124","0.002","90","","947.79","0.04","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4b<i>S</i>,8a<i>S</i>)-1-Isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl acetate","","- C22 H32 O2 -","- C22 H32 O2 -","- C44 H64 O4 -","2","1","","Oubabi, Radouane; Auhmani, Aziz; Ait Itto, My Youssef; Auhmani, Abdelwahed; Daran, Jean-Claude","(4b<i>S</i>,8a<i>S</i>)-1-Isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl acetate","Acta Crystallographica Section E","2014","70","3","o317","","10.1107/S1600536814002748","","","1.54184","CuKα","","0.0288","0.0286","","","0.0748","0.075","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239394","18.108","0.0005","9.3834","0.0003","11.4821","0.0004","90","","96.015","0.003","90","","1940.24","0.11","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Methyl-<i>N</i>-(4-methylphenylsulfonyl)-<i>N</i>-phenylbenzenesulfonamide","","- C20 H19 N O4 S2 -","- C20 H19 N O4 S2 -","- C80 H76 N4 O16 S8 -","4","0.5","SU2692","Eren, Bilge; Demir, Selçuk; Dal, Hakan; Hökelek, Tuncer","4-Methyl-<i>N</i>-(4-methylphenylsulfonyl)-<i>N</i>-phenylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","3","o238","o239","10.1107/S1600536814002086","","","0.71073","MoKα","","0.049","0.0377","","","0.101","0.1089","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239395","14.4105","0.001","10.9408","0.0009","16.0924","0.0013","90","","94.235","0.004","90","","2530.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[2-Benzyl-3-(naphthalen-1-yl)-2,3-dihydro-1,2-oxazole-4,5-diyl]bis(phenylmethanone)","","- C34 H25 N O3 -","- C34 H25 N O3 -","- C136 H100 N4 O12 -","4","1","","Sandhya, R.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","[2-Benzyl-3-(naphthalen-1-yl)-2,3-dihydro-1,2-oxazole-4,5-diyl]bis(phenylmethanone)","Acta Crystallographica Section E","2014","70","3","o354","o355","10.1107/S1600536814003250","","","0.71073","MoKα","","0.0931","0.0536","","","0.1414","0.1814","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239396","18.758","0.0011","7.7476","0.0004","24.1784","0.0014","90","","101.165","0.001","90","","3447.3","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Thiocarbamoylpyridine hydroiodide","","- C6 H7 I N2 S -","- C6 H7 I N2 S -","- C96 H112 I16 N32 S16 -","16","2","RN2122","Shotonwa, Ibukun O.; Boeré, René T.","4-Thiocarbamoylpyridin-1-ium iodide","Acta Crystallographica Section E","2014","70","3","o340","o341","10.1107/S1600536814003511","","","0.71073","MoKα","","0.0163","0.0144","","","0.0329","0.0336","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239397","15.649","0.002","5.681","0.003","27.23","0.002","90","","104.05","0.02","90","","2348.4","1.3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Methylpiperazine-1,4-dium bis(hydrogen oxalate)","","- C9 H16 N2 O8 -","- C9 H16 N2 O8 -","- C72 H128 N16 O64 -","8","1","ZL2578","Essid, Manel; Marouani, Houda; Rzaigui, Mohamed","1-Methylpiperazine-1,4-dium bis(hydrogen oxalate)","Acta Crystallographica Section E","2014","70","3","o326","o327","10.1107/S1600536814003559","","","0.56083","AgKα","","0.095","0.0519","","","0.1375","0.1617","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239398","12.9164","0.0004","17.6167","0.0005","12.4548","0.0005","90","","98.135","0.002","90","","2805.5","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 3'-(2,5-dimethylbenzyl)-1'-methyl-2-oxo-4'-phenylspiro[indoline-3,2'-pyrrolidine]-3'-carboxylate chloroform monosolvate","","- C30 H31 Cl3 N2 O3 -","- C30 H31 Cl3 N2 O3 -","- C120 H124 Cl12 N8 O12 -","4","1","SU2703","Karthikeyan, S.; Narayanan, P.; Sethusankar, K.; Devaraj, Anthonisamy; Bakthadoss, Manickam","Methyl 3'-(2,5-dimethylbenzyl)-1'-methyl-2-oxo-4'-phenylspiro[indoline-3,2'-pyrrolidine]-3'-carboxylate chloroform monosolvate","Acta Crystallographica Section E","2014","70","3","o377","o378","10.1107/S1600536814004073","","","0.71073","MoKα","","0.0951","0.0522","","","0.1352","0.1613","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239399","14.04454","0.00017","14.04454","0.00017","14.2657","0.0003","90","","90","","90","","2813.9","0.08","100","2","100.15","","","","","","","","","8","P 41","P 4w","76","","<i>mer</i>-Hydridotris(trimethylphosphane-κ<i>P</i>)(<i>D</i>-valinato-κ^2^<i>N</i>,<i>O</i>)iridium hexafluoridophosphate dichloromethane 0.675-solvate","","- C14.68 H39.35 Cl1.35 F6 Ir N O2 P4 -","- C14.675 H39.35 Cl1.35 F6 Ir N O2 P4 -","- C58.7 H157.4 Cl5.4 F24 Ir4 N4 O8 P16 -","4","1","PK2516","Merola, Joseph S.; Slebodnick, Carla; Berg, Michael; Ritchie, Melissa K.","<i>mer</i>-Hydridotris(trimethylphosphane-κ<i>P</i>)(<small>D</small>-valinato-κ^2^<i>N</i>,<i>O</i>)iridium hexafluoridophosphate dichloromethane 0.675-solvate","Acta Crystallographica Section E","2014","70","3","m82","","10.1107/S1600536814002165","","","0.71073","MoKα","","0.0467","0.0307","","","0.0446","0.0461","","","","","","0.805","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239400","10.7954","0.0003","10.1809","0.0002","20.839","0.0005","90","","90","","90","","2290.35","0.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2-Dimethyl-<i>N</i>-(4-methylpyridin-2-yl)propanamide","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C88 H128 N16 O8 -","8","1","","El-Hiti, Gamal A.; Smith, Keith; Balakit, Asim A.; Hegazy, Amany S.; Kariuki, Benson M.","2,2-Dimethyl-<i>N</i>-(4-methylpyridin-2-yl)propanamide","Acta Crystallographica Section E","2014","70","3","o351","o352","10.1107/S1600536814003729","","","1.54184","CuKα","","0.0599","0.046","","","0.1445","0.1539","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239401","7.15257","0.00016","17.2864","0.0004","11.7372","0.0003","90","","112.275","0.001","90","","1342.92","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(acetato-κ<i>O</i>)bis(thiourea-κ<i>S</i>)cobalt(II)","","- C6 H14 Co N4 O4 S2 -","- C6 H14 Co N4 O4 S2 -","- C24 H56 Co4 N16 O16 S8 -","4","1","SJ5387","Lutz, Martin","Bis(acetato-κ<i>O</i>)bis(thiourea-κ<i>S</i>)cobalt(II)","Acta Crystallographica Section E","2014","70","3","m78","","10.1107/S1600536814002074","","","0.71073","MoKα","","0.0174","0.0157","","","0.0407","0.0414","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239402","15.1015","0.0008","5.7704","0.0003","9.9549","0.0006","90","","108.262","0.002","90","","823.79","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methylphosphonic acid","","- C H5 O3 P -","- C H5 O3 P -","- C8 H40 O24 P8 -","8","2","","Reuter, Hans; Reichelt, Martin","Methylphosphonic acid, CH~3~PO(OH)~2~","Acta Crystallographica Section E","2014","70","3","o353","","10.1107/S1600536814003572","","","0.71073","MoKα","","0.0322","0.028","","","0.0817","0.087","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239403","8.9416","0.0002","10.5152","0.0003","20.5626","0.0005","90","","98.832","0.001","90","","1910.43","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-Methoxyphenyl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide","","- C18 H25 Cl N4 O3 -","- C18 H25 Cl N4 O3 -","- C72 H100 Cl4 N16 O12 -","4","1","SJ5388","Al-Omary, Fatmah A. M.; Ghabbour, Hazem A.; El-Emam, Ali A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","4-(2-Methoxyphenyl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide","Acta Crystallographica Section E","2014","70","3","o245","o246","10.1107/S1600536814002256","","","1.54178","CuKα","","0.0478","0.0448","","","0.1157","0.1181","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239404","12.7051","0.0005","14.1724","0.0006","14.0322","0.0006","90","","109.424","0.002","90","","2382.85","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 3'-benzyl-4'-(2,4-dichlorophenyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","- C27 H24 Cl2 N2 O3 -","- C27 H24 Cl2 N2 O3 -","- C108 H96 Cl8 N8 O12 -","4","1","SU2699","Karthikeyan, S.; Narayanan, P.; Sethusankar, K.; Devaraj, Anthonisamy; Bakthadoss, Manickam","Methyl 3'-benzyl-4'-(2,4-dichlorophenyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2014","70","3","o335","","10.1107/S1600536814003523","","","0.71073","MoKα","","0.0744","0.0436","","","0.1071","0.1243","","","","","","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239405","18.9189","0.0016","9.6909","0.0008","21.6179","0.0018","90","","106.212","0.001","90","","3805.8","0.6","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Chlorido(4-fluorobenzenethiolato-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)palladium(II) methanol hemisolvate","","- C42.5 H36 Cl F O0.5 P2 Pd S -","- C42.5 H36 Cl F O0.5 P2 Pd S -","- C170 H144 Cl4 F4 O2 P8 Pd4 S4 -","4","1","HP2065","Avila-Sorrosa, Alcives; Santacruz-Juárez, Ericka; Reyes-Arellano, Alicia; Reyes-Martínez, Reyna; Morales-Morales, David","<i>trans</i>-Chlorido(4-fluorobenzenethiolato-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)palladium(II) methanol hemisolvate","Acta Crystallographica Section E","2014","70","3","m92","m93","10.1107/S1600536814002499","","","0.71073","MoKα","","0.0606","0.043","","","0.1014","0.1103","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2239406","9.199","0.003","9.304","0.002","11.327","0.003","74.98","0.03","85.17","0.02","75.2","0.02","905.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(2-amino-5-chloropyridinium) dihydrogen cyclohexaphosphate","","- C20 H26 Cl4 N8 O18 P6 -","- C20 H26 Cl4 N8 O18 P6 -","- C20 H26 Cl4 N8 O18 P6 -","1","0.5","FJ2662","Hamdi, Ahmed; Khederi, Lamia; Rzaigui, Mohamed","Tetrakis(2-amino-5-chloropyridinium) dihydrogen cyclohexaphosphate","Acta Crystallographica Section E","2014","70","3","o342","o343","10.1107/S1600536814003584","","","0.56087","AgKα","","0.1101","0.0557","","","0.133","0.1546","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239407","12.625","0.004","12.625","","12.625","","90","","90","","90","","2012.3","0.6","150","2","150","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Tetracadmium diarsenide tribromide","","- As2 Br3 Cd4 -","- As2 Br3 Cd4 -","- As16 Br24 Cd32 -","8","0.333333","VN2080","Kars, Mohammed; Roisnel, Thierry; Dorcet, Vincent; Rebbah, Allaoua; Otero-Diáz, L. Carlos","Cd~4~As~2~Br~3~","Acta Crystallographica Section E","2014","70","3","i15","","10.1107/S160053681400395X","","","0.71073","MoKα","","0.0508","0.0386","","","0.0883","0.0923","","","","","","1.09","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239408","8.7539","0.0003","10.9968","0.0004","17.5801","0.0007","90","","99.231","0.002","90","","1670.43","0.11","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Bromo-1-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)propan-1-one","","- C17 H14 Br N O3 S -","- C17 H14 Br N O3 S -","- C68 H56 Br4 N4 O12 S4 -","4","1","IS5339","Ramathilagam, C.; Umarani, P. R.; Saravanan, V.; Mohanakrishnan, A. K.; Gunasekaran, B.; Manivannan, V.","2-Bromo-1-(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)propan-1-one","Acta Crystallographica Section E","2014","70","3","o295","o296","10.1107/S1600536814002864","","","0.71073","MoKα","","0.1081","0.0497","","","0.127","0.1485","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239409","15.1814","0.0005","9.8502","0.0003","13.0943","0.0003","90","","91.843","0.002","90","","1957.11","0.1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trimethylphosphonium <i>trans</i>-tetrachloridobis(trimethylphosphane-κ<i>P</i>)iridate(III)","","- C9 H28 Cl4 Ir P3 -","- C9 H28 Cl4 Ir P3 -","- C36 H112 Cl16 Ir4 P12 -","4","0.5","ZL2577","Berg, Michael A.; Davidson, Jesse; Merola, Joseph S.","Trimethylphosphonium <i>trans</i>-tetrachloridobis(trimethylphosphane-κ<i>P</i>)iridate(III)","Acta Crystallographica Section E","2014","70","3","m103","","10.1107/S160053681400350X","","","0.71073","MoKα","","0.0392","0.0282","","","0.0713","0.079","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239410","9.765","0.003","13.113","0.004","19.378","0.006","90","","90","","90","","2481.3","1.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-((<i>E</i>)-{4-[Bis(4-ethoxyphenyl)amino]phenyl}iminomethyl)phenol","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","1","","Gao, Bing-Fei; Jin, Zhe-Peng; Chen, Jiang; Tian, Yu-Peng","2-((<i>E</i>)-{4-[Bis(4-ethoxyphenyl)amino]phenyl}iminomethyl)phenol","Acta Crystallographica Section E","2014","70","3","o313","","10.1107/S1600536814003201","","","0.71073","MoKα","","0.0718","0.0437","","","0.0995","0.1129","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239411","8.4543","0.0003","13.6605","0.0005","21.6359","0.0009","90","","90","","90","","2498.73","0.16","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Methyl 3'-benzyl-4'-(2,4-dichlorophenyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","- C28 H24 N2 O7 S -","- C28 H24 N2 O7 S -","- C112 H96 N8 O28 S4 -","4","1","LD2120","Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-3-methyl-9-phenylsulfonyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2014","70","3","o336","o337","10.1107/S1600536814003535","","","0.71073","MoKα","","0.0497","0.034","","","0.077","0.0849","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239412","12.2275","0.0018","13.604","0.002","5.8746","0.0009","90","","97.011","0.003","90","","969.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3-phenylisoxazole-5-carboxylate","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","1","SU2682","Wang, Li; Li, Ya-jun; Li, Yao-dong; Zhang, Wei; Xu, Rui","Methyl 3-phenylisoxazole-5-carboxylate","Acta Crystallographica Section E","2014","70","3","o250","","10.1107/S1600536814000038","","","0.71073","MoKα","","0.0848","0.0588","","","0.1204","0.1329","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239413","9.1885","0.0003","14.4631","0.0004","14.6845","0.0004","98.342","0.002","102.17","0.002","93.101","0.002","1880.2","0.1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[[dicyanido-2κ^2^<i>C</i>-(1,4,7,10,13,16-\ hexaoxacyclooctadecane-1κ^6^<i>O</i>){μ~3~-\ (2α,2β)-5,10,15,20-tetrakis[2-(2,2-\ dimethylpropanamido)phenyl]porphyrinato-\ 1κ<i>O</i>^5^:2κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''':\ 1'κ<i>O</i>^15^}cobalt(III)potassium] dihydrate]","","- C78 H92 Co K N10 O12 -","- C78 H92 Co K N10 O12 -","- C78 H92 Co K N10 O12 -","1","0.5","","Belghith, Yassine; Toumi, Hamza; Daran, Jean-Claude; Nasri, Habib","A one-dimensional polymeric cobalt(III)‒potassium complex with 18-crown-6, cyanide and porphyrinate ligands","Acta Crystallographica Section E","2014","70","3","m104","m105","10.1107/S1600536814003596","","","0.71073","MoKα","","0.048","0.0358","","","0.1001","0.1049","","","","","","1.068","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239414","15.088","0.002","13.464","0.002","7.0557","0.0012","90","","91.076","0.003","90","","1433.1","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(4-Fluorophenyl)-3-phenyl-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","","- C16 H11 F N4 S -","- C16 H11 F N4 S -","- C64 H44 F4 N16 S4 -","4","1","HB7198","Palakshamurthy, B. S.; Devarajegowda, H. C.; Mohan, N. R.; Sreenivasa, S.; Suchetan, P. A.","6-(4-Fluorophenyl)-3-phenyl-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2014","70","3","o375","","10.1107/S1600536814003262","","","0.71073","MoKα","","0.0747","0.0529","","","0.123","0.1338","","","","","","0.942","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239415","8.3125","0.0005","14.2434","0.0006","8.4507","0.0005","90","","104.566","0.005","90","","968.39","0.09","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Cesium Cerium (IV) Fluoride","Caesium cerium(IV) pentafluoride","","- Ce Cs F5 -","- Ce Cs F5 -","- Ce8 Cs8 F40 -","8","2","FJ2660","Grzechnik, Andrzej; Underwood, Christopher C.; Kolis, Joseph W.","Twinned caesium cerium(IV) pentafluoride","Acta Crystallographica Section E","2014","70","3","i12","i13","10.1107/S1600536814003286","","","0.71069","MoKα","","0.1054","0.0366","","","0.0336","0.038","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239416","11.5335","0.0005","12.7336","0.0005","15.4615","0.0006","90","","97.209","0.002","90","","2252.77","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Methyl-4,5-dihydrooxazolium tetraphenylborate","","- C28 H28 B N O -","- C28 H28 B N O -","- C112 H112 B4 N4 O4 -","4","1","KP2465","Tiritiris, Ioannis; Saur, Stefan; Kantlehner, Willi","3-Methyl-4,5-dihydrooxazolium tetraphenylborate","Acta Crystallographica Section E","2014","70","3","o325","","10.1107/S1600536814003456","","","0.71073","MoKα","","0.074","0.045","","","0.1009","0.1163","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239417","24.5329","0.0015","5.9762","0.0005","7.5944","0.0005","90","","98.536","0.006","90","","1101.11","0.14","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","2,5-Bis{[(‒)-(<i>S</i>)-1-(4-bromophenyl)ethyl]iminomethyl}thiophene","","- C22 H20 Br2 N2 S -","- C22 H20 Br2 N2 S -","- C44 H40 Br4 N4 S2 -","2","0.5","IS5340","Mendoza, Angel; Bernès, Sylvain; Hernández-Téllez, Guadalupe; Portillo-Moreno, Oscar; Gutiérrez, René","2,5-Bis{[({-})-(<i>S</i>)-1-(4-bromophenyl)ethyl]iminomethyl}thiophene","Acta Crystallographica Section E","2014","70","3","o345","","10.1107/S1600536814003651","","","0.71073","MoKα","","0.0556","0.0364","","","","0.072","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239418","10.7369","0.0004","9.177","0.0003","35.6567","0.0011","90","","90","","90","","3513.3","0.2","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","3-(4-Hexyloxyphenyl)-1,2,4-triazolo[3,4-<i>b</i>]benzothiazole","","- C20 H21 N3 O S -","- C20 H21 N3 O S -","- C160 H168 N24 O8 S8 -","8","1","","Schollmeyer, Dieter; Detert, Heiner","3-(4-Hexyloxyphenyl)-1,2,4-triazolo[3,4-<i>b</i>]benzothiazole","Acta Crystallographica Section E","2014","70","3","o247","","10.1107/S1600536814002153","","","0.71073","MoKα","","0.0573","0.0465","","","0.1111","0.1191","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239419","13.591","0.002","12.784","0.003","7.216","0.002","90","","104.93","0.02","90","","1211.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis[5-(2-pyrazin-2-yl)tetrazolato]copper(II)‒pyrazine-2-carbonitrile (1/2)","","- C20 H16 Cu N18 O2 -","- C20 H16 Cu N18 O2 -","- C40 H32 Cu2 N36 O4 -","2","0.5","QK2063","Bensegueni, Mohamed Abdellatif; Cherouana, Aouatef; Dahaoui, Slimane; Boudraa, Issam","Diaquabis[5-(2-pyrazin-2-yl)tetrazolato]copper(II)‒pyrazine-2-carbonitrile (1/2)","Acta Crystallographica Section E","2014","70","3","m80","m81","10.1107/S1600536814002293","","","0.71073","MoKα","","0.0344","0.0272","","","0.0699","0.0746","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239420","12.6271","0.0011","13.578","0.0009","10.1997","0.0009","90","","107.94","0.007","90","","1663.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-Dimethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Rivera, Augusto; Nerio, Luz Stella; Bolte, Michael","6,6'-Dimethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","Acta Crystallographica Section E","2014","70","3","o243","","10.1107/S1600536814002128","","","0.71073","MoKα","","0.0498","0.0428","","","0.1101","0.1143","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239421","16.494","0.003","13.082","0.003","6.6008","0.0012","90","","90","","90","","1424.3","0.5","200","2","200","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Santal monohydrate","3-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4<i>H</i>-chromen-4-one monohydrate","","- C16 H14 O7 -","- C16 H14 O7 -","- C64 H56 O28 -","4","1","CV5443","Knight, Kyle S.; Smith, Cole T.; Waddell, Thomas G.; Noll, Bruce","Santal monohydrate, an isoflavone isolated from <i>Wyethia mollis</i>","Acta Crystallographica Section E","2014","70","3","o267","","10.1107/S1600536814002670","","","0.71073","MoKα","","0.0567","0.0394","","","0.098","0.1097","","","","","","0.852","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239422","5.5391","0.0009","13.128","0.002","8.795","0.0015","90","","97.65","0.003","90","","633.86","0.18","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[5-(pyridin-2-yl-κ<i>N</i>)tetrazolido-κ<i>N</i>^1^]copper(II)","","- C12 H8 Cu N10 -","- C12 H8 Cu N10 -","- C24 H16 Cu2 N20 -","2","0.5","LH5686","Li, Jian-Quan; Mu, Dan; Fan, Meng-Bao","Bis[5-(pyridin-2-yl-κ<i>N</i>)tetrazolido-κ<i>N</i>^1^]copper(II)","Acta Crystallographica Section E","2014","70","3","m79","","10.1107/S1600536814002062","","","0.71073","MoKα","","0.0393","0.0341","","","0.0842","0.0872","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239423","17.6432","0.0009","8.9425","0.0005","12.4776","0.0007","90","","108.277","0.003","90","","1869.33","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran","","- C21 H21 Br O2 S -","- C21 H21 Br O2 S -","- C84 H84 Br4 O8 S4 -","4","1","GK2602","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(3-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2014","70","3","o309","","10.1107/S160053681400316X","","","0.71073","MoKα","","0.0453","0.0311","","","0.0736","0.0805","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239424","10.1766","0.0019","13.159","0.002","9.2877","0.0017","90","","104.062","0.007","90","","1206.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Anilino-5,5-dimethylcyclohex-2-enone","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","BQ2392","Boulebd, Houssem; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali","3-Anilino-5,5-dimethylcyclohex-2-enone","Acta Crystallographica Section E","2014","70","3","o233","o234","10.1107/S160053681400186X","","","0.71073","MoKα","","0.063","0.0466","","","0.1265","0.1384","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239425","14.5228","0.0005","12.4663","0.0004","15.2354","0.0005","90","","90","","90","","2758.3","0.16","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 4,9-dimethyl-9<i>H</i>-carbazole-3-carboxylate","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","1","SU2693","Öncüoğlu, Serkan; Dilek, Nefise; Çaylak Delibaş, Nagihan; Ergün, Yavuz; Hökelek, Tuncer","Ethyl 4,9-dimethyl-9<i>H</i>-carbazole-3-carboxylate","Acta Crystallographica Section E","2014","70","3","o240","","10.1107/S1600536814002098","","","0.71073","MoKα","","0.0634","0.0493","","","0.1242","0.1332","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239426","18.4128","0.0004","21.2523","0.0004","10.208","0.0002","90","","99.834","0.001","90","","3935.84","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{(<i>E</i>)-[4-(Diphenylamino)phenyl]iminomethyl}phenol","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C200 H160 N16 O8 -","8","2","","Chen, Jiang; Jin, Zhe-Peng; Gao, Bing-Fei; Yu, Jian-Hua; Wu, Jie-Ying","2-{(<i>E</i>)-[4-(Diphenylamino)phenyl]iminomethyl}phenol","Acta Crystallographica Section E","2014","70","3","o314","","10.1107/S1600536814003195","","","0.71073","MoKα","","0.0755","0.0492","","","0.1518","0.1813","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239427","10.6234","0.0006","10.9425","0.0006","11.0576","0.0006","73.685","0.004","79.152","0.004","88.614","0.004","1211.04","0.12","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-Methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","","- C12 H15 N3 S -","- C12 H15 N3 S -","- C48 H60 N12 S4 -","4","2","BT6960","de Oliveira, Adriano Bof; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke","<i>N</i>-Methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","3","o301","o302","10.1107/S1600536814003079","","","0.71073","MoKα","","0.0529","0.0408","","","0.1076","0.1139","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239428","20.1565","0.0007","6.1651","0.0002","20.325","0.0007","90","","97.781","0.002","90","","2502.47","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Amino-5,5-diphenylimidazolidine-2,4-dione","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C120 H104 N24 O16 -","8","2","SJ5389","Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.","3-Amino-5,5-diphenylimidazolidine-2,4-dione","Acta Crystallographica Section E","2014","70","3","o262","o263","10.1107/S1600536814002487","","","1.54178","CuKα","","0.0877","0.0537","","","0.0977","0.1106","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239429","8.8056","0.0002","10.6638","0.0002","21.8315","0.0005","90","","90","","90","","2050","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 1-benzyl-5-methyl-2,4-diphenyl-1<i>H</i>-pyrrole-3-carboxylate","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C104 H92 N4 O8 -","4","1","TK5295","Lopchuk, Justin M.; Gribble, Gordon W.; Jasinski, Jerry P.","Methyl 1-benzyl-5-methyl-2,4-diphenyl-1<i>H</i>-pyrrole-3-carboxylate","Acta Crystallographica Section E","2014","70","3","o338","o339","10.1107/S1600536814003316","","","1.5418","CuKα","","0.0512","0.0439","","","0.1141","0.1193","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239430","11.5335","0.0011","9.5024","0.0012","12.1318","0.0014","90","","91.66","0.011","90","","1329","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-[(2<i>E</i>,3<i>E</i>)-Butane-2,3-diylidene]bis[4-fluoro-2-(1-phenylethyl)aniline]","","- C32 H30 F2 N2 -","- C32 H30 F2 N2 -","- C64 H60 F4 N4 -","2","0.5","","Wei, Juanjuan; She, Houde; Shi, Lijun; Lei, Ziqiang","<i>N</i>,<i>N</i>'-[(2<i>E</i>,3<i>E</i>)-Butane-2,3-diylidene]bis[4-fluoro-2-(1-phenylethyl)aniline]","Acta Crystallographica Section E","2014","70","3","o275","","10.1107/S1600536814002657","","","1.54184","CuKα","","0.047","0.04","","","0.1113","0.1175","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239431","17.429","0.004","16.748","0.003","5.839","0.0012","90","","95.48","0.03","90","","1696.6","0.6","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(5-Benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(piperidin-1-yl)acetamide","","- C16 H20 N4 O S2 -","- C16 H20 N4 O S2 -","- C64 H80 N16 O4 S8 -","4","1","","Ismailova, D. S.; Okmanov, R. Ya.; Ziyaev, A. A.; Shakhidoyatov, Kh. M.; Tashkhodjaev, B.","<i>N</i>-(5-Benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(piperidin-1-yl)acetamide","Acta Crystallographica Section E","2014","70","3","o241","","10.1107/S160053681400213X","","","1.54184","CuKα","","0.1415","0.0691","","","0.1636","0.2166","","","","","","0.979","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239432","6.0745","0.0005","12.0617","0.0011","13.4817","0.001","92.561","0.007","98.753","0.007","93.326","0.007","973.2","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1-Piperonylpiperazinium 4-nitrobenzoate monohydrate","1-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-ium 4-nitrobenzoate monohydrate","","- C19 H23 N3 O7 -","- C19 H23 N3 O7 -","- C38 H46 N6 O14 -","2","1","LD2118","Kavitha, Channappa N.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H. S.","1-Piperonylpiperazinium 4-nitrobenzoate monohydrate","Acta Crystallographica Section E","2014","70","3","o270","o271","10.1107/S160053681400261X","","","1.54184","CuKα","","0.0497","0.0427","","","0.1115","0.1199","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239433","8.8858","0.0012","10.054","0.0013","13.2256","0.0018","93.343","0.003","106.76","0.003","98.53","0.003","1112.4","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","<i>N</i>^1^,<i>N</i>^4^-Diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine","","- C30 H24 N4 -","- C30 H24 N4 -","- C60 H48 N8 -","2","1","XU5766","Ohno, Keiji; Maruyama, Haruki; Fujihara, Takashi; Nagasawa, Akira","<i>N</i>^1^,<i>N</i>^4^-Diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine","Acta Crystallographica Section E","2014","70","3","o303","o304","10.1107/S1600536814002906","","","0.71073","MoKα","","0.1084","0.0641","","","0.1488","0.1717","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239434","14.0674","0.0007","7.8105","0.0004","19.768","0.0009","90","","110.456","0.003","90","","2035.01","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 1-phenyl-3-<i>p</i>-tolyl-1,9b-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a(4<i>H</i>)-carboxylate","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","SU2676","Raghuvarman, B.; Srinivasan, J.; Bakthadoss, M.; Aravindhan, S.","Methyl 1-phenyl-3-<i>p</i>-tolyl-1,9b-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a(4<i>H</i>)-carboxylate","Acta Crystallographica Section E","2014","70","3","o281","o282","10.1107/S1600536814002438","","","0.71073","MoKα","","0.0801","0.0508","","","0.1302","0.1509","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239435","5.0784","0.0005","8.1255","0.0008","8.9003","0.0009","102.718","0.004","105.175","0.005","101.092","0.003","333.35","0.06","200","","200","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(ethanol-κ<i>O</i>)manganese(II)]-μ-2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olato)-κ^4^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^3^,<i>O</i>^4^]","","- C10 H12 Cl2 Mn O6 -","- C10 H12 Cl2 Mn O6 -","- C10 H12 Cl2 Mn O6 -","1","0.5","","Tanaka, Seiya; Himegi, Akiko; Ohishi, Tomomi; Fuyuhiro, Akira; Kawata, Satoshi","<i>catena</i>-Poly[[bis(ethanol-κ<i>O</i>)manganese(II)]-μ-2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olato)-κ^4^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^3^,<i>O</i>^4^]","Acta Crystallographica Section E","2014","70","3","m90","m91","10.1107/S1600536814002396","","","0.71075","MoKα","","","0.0323","","","","0.0953","","","","","","1.168","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239436","4.9803","0.0001","26.5291","0.0007","10.274","0.0003","90","","90.804","0.001","90","","1357.3","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(1,3-Dioxoisoindolin-2-yl)methyl]benzenesulfonamide","","- C15 H12 N2 O4 S -","- C15 H12 N2 O4 S -","- C60 H48 N8 O16 S4 -","4","1","SU2697","Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A.","4-[(1,3-Dioxoisoindolin-2-yl)methyl]benzenesulfonamide","Acta Crystallographica Section E","2014","70","3","o291","o292","10.1107/S1600536814002803","","","1.54178","CuKα","","0.0475","0.0418","","","0.0945","0.0967","","","","","","1.165","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239437","4.8009","0.0001","12.2309","0.0002","16.0247","0.0003","90","","90","","90","","940.96","0.03","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fluorenone oxime","Fluoren-9-one oxime","","- C13 H9 N O -","- C13 H9 N O -","- C52 H36 N4 O4 -","4","1","GK2601","Bugenhagen, Bernhard; Al Jasem, Yosef; Al-Azani, Mariam; Thiemann, Thies","Fluoren-9-one oxime","Acta Crystallographica Section E","2014","70","3","o265","","10.1107/S1600536814002669","","","1.5418","CuKα","","0.0309","0.0293","","","0.0732","0.0745","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239438","23.162","0.003","10.4755","0.0011","19.391","0.002","90","","118.896","0.008","90","","4119.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[(2-methylbenzyl)bis(pyridin-2-ylmethyl-κ<i>N</i>)amine-κ<i>N</i>]manganese(II) bis(perchlorate)","","- C40 H42 Cl2 Mn N6 O8 -","- C40 H42 Cl2 Mn N6 O8 -","- C160 H168 Cl8 Mn4 N24 O32 -","4","0.5","MW2117","Butcher, Ray J.; Gultneh, Yilma; Yisgedu, T. B.","Bis[(2-methylbenzyl)bis(pyridin-2-ylmethyl-κ<i>N</i>)amine-κ<i>N</i>]manganese(II) bis(perchlorate)","Acta Crystallographica Section E","2014","70","3","m100","m101","10.1107/S1600536814003055","","","0.71073","MoKα","","0.1037","0.0647","","","0.1681","0.1934","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239439","20.3958","0.0017","8.3334","0.0006","18.9386","0.0014","90","","118.342","0.007","90","","2833.1","0.4","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethyl 2-nitrobiphenyl-4,4'-dicarboxylate","","- C16 H13 N O6 -","- C16 H13 N O6 -","- C128 H104 N8 O48 -","8","1","","Vieira, Vanessa C. M.; Golen, James A.; Rheingold, Arnold L.; Manke, David R.","Dimethyl 2-nitrobiphenyl-4,4'-dicarboxylate","Acta Crystallographica Section E","2014","70","3","o371","","10.1107/S1600536814004218","","","0.71073","MoKα","","0.0462","0.0343","","","0.0906","0.097","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239440","7.1967","0.0002","9.9909","0.0003","13.5534","0.0005","77.508","0.003","81.551","0.003","77.717","0.003","924.44","0.05","123","0.16","123","2","","","","","","","","4","P -1","-P 1","2","","3-(2,3-Dioxoindolin-1-yl)propanenitrile","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C44 H32 N8 O8 -","4","2","TK5297","Qachchachi, Fatima-Zahrae; Kandri Rodi, Youssef; Essassi, El Mokhtar; Bodensteiner, Michael; El Ammari, Lahcen","3-(2,3-Dioxoindolin-1-yl)propanenitrile","Acta Crystallographica Section E","2014","70","3","o361","o362","10.1107/S1600536814003985","","","1.54184","CuKα","","0.0353","0.0332","","","0.084","0.0856","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239441","7.3548","0.0001","20.4554","0.0004","12.6801","0.0002","90","","92.463","0.001","90","","1905.9","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2-Bromophenylsulfonyl)-5-cyclohexyl-2-methyl-1-benzofuran","","- C21 H21 Br O3 S -","- C21 H21 Br O3 S -","- C84 H84 Br4 O12 S4 -","4","1","CV5444","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(2-Bromophenylsulfonyl)-5-cyclohexyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2014","70","3","o324","","10.1107/S1600536814003547","","","0.71073","MoKα","","0.0405","0.0311","","","0.0787","0.0829","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239442","14.4728","0.0004","5.4554","0.0003","15.0906","0.0004","90","","95.453","0.004","90","","1186.08","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4,9-Dimethyl-9<i>H</i>-carbazol-3-yl)methanol","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","SU2701","Öncüoğlu, Serkan; Dilek, Nefise; Ergün, Yavuz; Hökelek, Tuncer","(4,9-Dimethyl-9<i>H</i>-carbazol-3-yl)methanol","Acta Crystallographica Section E","2014","70","3","o346","o347","10.1107/S1600536814003845","","","0.71073","MoKα","","0.0873","0.079","","","0.2105","0.2139","","","","","","1.16","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239443","9.1442","0.0003","9.4376","0.0004","14.0931","0.0006","108.262","0.002","96.017","0.002","103.313","0.002","1103.13","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 3-[7-(<i>N</i>-acetyl-4-methoxybenzenesulfonamido)-3-chloro-2<i>H</i>-indazol-2-yl]propionate","","- C21 H22 Cl N3 O6 S -","- C21 H22 Cl N3 O6 S -","- C42 H44 Cl2 N6 O12 S2 -","2","1","TK5294","Kouakou, Assoman; Rakib, El Mostapha; Abbassi, Najat; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 3-[7-(<i>N</i>-acetyl-4-methoxybenzenesulfonamido)-3-chloro-2<i>H</i>-indazol-2-yl]propionate","Acta Crystallographica Section E","2014","70","3","o307","o308","10.1107/S1600536814003183","","","0.71073","MoKα","","0.0685","0.0432","","","0.1089","0.1229","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239444","8.829","0.0015","10.745","0.003","13.275","0.003","106.98","0.02","93.131","0.017","90.646","0.017","1202.2","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","<i>trans</i>-Chloridobis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(thiocyanato-κ<i>N</i>)cobalt(III) diamminetetrakis(thiocyanato-κ<i>N</i>)cromate(III)","","- C9 H22 Cl Co Cr N11 S5 -","- C9 H22 Cl Co Cr N11 S5 -","- C18 H44 Cl2 Co2 Cr2 N22 S10 -","2","1","BR2236","Rusanova, Julia A.; Semenaka, Valentyna V.; Zubatyuk, Roman I.","<i>trans</i>-Chloridobis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(thiocyanato-κ<i>N</i>)cobalt(III) diamminetetrakis(thiocyanato-κ<i>N</i>)cromate(III)","Acta Crystallographica Section E","2014","70","3","m110","m111","10.1107/S1600536814003869","","","0.7107","MoKα","","0.0754","0.0524","","","0.1325","0.1413","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239445","7.1617","0.0001","13.1615","0.0002","19.2306","0.0003","90","","90","","90","","1812.65","0.05","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>E</i>)-13-(2-Bromophenyl)micheliolide","(3<i>E</i>,3a<i>S</i>,6<i>Z</i>,9<i>R</i>,9a<i>S</i>,9b<i>S</i>)-3-(2-Bromobenzylidene)-9-hydroxy-6,9-dimethyl-3,3a,4,5,7,8,9,9a-octahydroazuleno[4,5-<i>b</i>]furan-2(9b<i>H</i>)-one","","- C21 H23 Br O3 -","- C21 H23 Br O3 -","- C84 H92 Br4 O12 -","4","1","SJ5372","Penthala, Narsimha Reddy; Bommagani, Shobanbabu; Janganati, Venumadhav; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-13-(2-Bromophenyl)micheliolide","Acta Crystallographica Section E","2014","70","3","o251","o252","10.1107/S1600536814002177","","","0.71073","MoKα","","0.0293","0.0254","","","0.0618","0.0636","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239446","8.903","0.003","21.732","0.006","12.335","0.004","90","","108.48","0.004","90","","2263.5","1.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[tetrakis(pyridin-2-yl)methane-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']cobalt(II) tetrakis(thiocyanato-κ<i>N</i>)cobaltate(II) methanol monosolvate","","- C47 H32 Co2 N12 O S4 -","- C47 H32 Co2 N12 O S4 -","- C94 H64 Co4 N24 O2 S8 -","2","1","","Tsunezumi, Yuya; Matsumoto, Kouzou; Hayami, Shinya; Fuyuhiro, Akira; Kawata, Satoshi","Bis[tetrakis(pyridin-2-yl)methane-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']cobalt(II) tetrakis(thiocyanato-κ<i>N</i>)cobaltate(II) methanol monosolvate","Acta Crystallographica Section E","2014","70","3","m96","m97","10.1107/S160053681400289X","","","0.71075","MoKα","","","0.0335","","","","0.0706","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239447","10.8643","0.0009","10.6705","0.0009","15.8062","0.0013","90","","105.696","0.009","90","","1764","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Hydroxy-5-methoxy-<i>N</i>,1-dimethyl-2-oxo-<i>N</i>-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinoline-3-carboxamide","","- C20 H17 F3 N2 O4 -","- C20 H17 F3 N2 O4 -","- C80 H68 F12 N8 O16 -","4","1","","Akinboye, Emmanuel S.; Butcher, Ray J.; Yildirim, Sema Ozturk; Isaacs, John T.","4-Hydroxy-5-methoxy-<i>N</i>,1-dimethyl-2-oxo-<i>N</i>-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinoline-3-carboxamide","Acta Crystallographica Section E","2014","70","3","o297","o298","10.1107/S1600536814003031","","","1.54184","CuKα","","0.0502","0.0436","","","0.125","0.1323","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239448","8.4137","0.0003","20.1179","0.0007","8.6346","0.0003","90","","108.532","0.0014","90","","1385.76","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(4-Bromophenyl)-9<i>H</i>-carbazole","","- C18 H12 Br N -","- C18 H12 Br N -","- C72 H48 Br4 N4 -","4","1","KJ2237","Kautny, Paul; Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes","9-(4-Bromophenyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2014","70","3","o330","o331","10.1107/S1600536814003705","","","0.71073","MoKα","","0.0395","0.0311","","","0.0454","0.0473","","","","","","1.69","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239449","8.124","0.005","14.191","0.005","18.607","0.005","90","","93.82","0.005","90","","2140.4","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Fluoro-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde","","- C25 H15 F N2 O6 S -","- C25 H15 F N2 O6 S -","- C100 H60 F4 N8 O24 S4 -","4","1","SU2695","Gopinath, S.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","2-(4-Fluoro-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde","Acta Crystallographica Section E","2014","70","3","o273","o274","10.1107/S1600536814002633","","","0.71073","MoKα","","0.0818","0.0477","","","0.1227","0.1432","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239450","8.5937","0.0006","9.8302","0.0007","18.87","0.0014","77.81","0.002","83.622","0.002","68.025","0.002","1444.04","0.18","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","Bis(6-nitro-1,10-phenanthrolin-1-ium) 2,5-dicarboxyterephthalate","","- C34 H20 N6 O12 -","- C34 H20 N6 O12 -","- C68 H40 N12 O24 -","2","1","SU2687","Zhong, Kai-Long; Ni, Chao","Bis(6-nitro-1,10-phenanthrolin-1-ium) 2,5-dicarboxyterephthalate","Acta Crystallographica Section E","2014","70","3","o256","o257","10.1107/S1600536814002414","","","0.71073","MoKα","","0.0935","0.0684","","","0.1783","0.191","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239451","13.1962","0.0003","10.0002","0.0002","13.56","0.0003","90","","100.469","0.003","90","","1759.65","0.07","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-Diphenylmaleimide 1-methylpyrrolidin-2-one monosolvate","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","KQ2011","Bulatov, Evgeny; Boyarskaya, Dina; Chulkova, Tatiana; Haukka, Matti","2,3-Diphenylmaleimide 1-methylpyrrolidin-2-one monosolvate","Acta Crystallographica Section E","2014","70","3","o260","","10.1107/S1600536814002372","","","0.71073","MoKα","","0.1009","0.064","","","0.1741","0.2037","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239452","7.0629","0.0004","12.5553","0.0009","13.3705","0.0011","68.321","0.007","83.678","0.006","78.567","0.006","1079.04","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-((Methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}methyl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","","- C24 H22 N4 O3 -","- C24 H22 N4 O3 -","- C48 H44 N8 O6 -","2","1","","Sharma, Devinder K.; Shripanavar, Chetan S.; Anthal, Sumati; Gupta, Vivek K.; Kant, Rajni","5-((Methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}methyl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","Acta Crystallographica Section E","2014","70","3","o357","o358","10.1107/S1600536814003821","","","0.71073","MoKα","","0.0839","0.0465","","","0.1014","0.1208","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239453","6.9537","0.0012","8.441","0.0015","12.563","0.002","96.26","0.004","98.381","0.004","92.647","0.003","723.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-[2-(4-Methylpiperazin-1-yl)ethyl]isoindoline-1,3-dione","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C30 H38 N6 O4 -","2","1","","Zhou, Mi; Shao, Ying; Xia, Yong-an; Liu, Xiao-Long; Sun, Xiao-Qiang","2-[2-(4-Methylpiperazin-1-yl)ethyl]isoindoline-1,3-dione","Acta Crystallographica Section E","2014","70","3","o287","","10.1107/S1600536814002232","","","0.71073","MoKα","","0.0555","0.0467","","","0.1453","0.1541","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239454","8.9322","0.0009","9.901","0.0009","10.3951","0.001","90","","103.866","0.002","90","","892.53","0.15","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cyclohexylammonium nitrate","","- C6 H14 N2 O3 -","- C6 H14 N2 O3 -","- C24 H56 N8 O12 -","4","1","SJ5386","Bagabas, Abdulaziz A.; Aboud, Mohamed F. A.; Shemsi, Ahsan M.; Addurihem, Emad S.; Al-Othman, Zeid A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","Cyclohexylammonium nitrate","Acta Crystallographica Section E","2014","70","3","o253","o254","10.1107/S1600536814002244","","","0.71073","MoKα","","0.0492","0.0398","","","0.1134","0.1214","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239455","12.233","0.0005","13.4144","0.0006","16.332","0.0009","90","","90","","90","","2680.1","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzotriazolium 4-methylbenzenesulfonate","","- C13 H13 N3 O3 S -","- C13 H13 N3 O3 S -","- C104 H104 N24 O24 S8 -","8","1","BT6963","Thirunavukkarasu, A.; Silambarasan, A.; Kumar, R. Mohan; Umarani, P. R.; Chakkaravarthi, G.","Benzotriazolium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2014","70","3","o350","","10.1107/S1600536814003857","","","0.71073","MoKα","","0.0678","0.04","","","0.0908","0.1082","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239456","9.5934","0.0003","11.1939","0.0004","10.3332","0.0003","90","","90","","90","","1109.66","0.06","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>'-[(<i>E</i>)-Furan-2-ylmethylidene]-4-hydroxybenzohydrazide","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C48 H40 N8 O12 -","4","1","","Datta, Riya; Ramya, V.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-Furan-2-ylmethylidene]-4-hydroxybenzohydrazide","Acta Crystallographica Section E","2014","70","3","o242","","10.1107/S1600536814001822","","","0.71073","MoKα","","0.025","0.0242","","","0.0634","0.0641","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239457","16.7346","0.0007","5.5511","0.0003","20.4817","0.001","90","","121.325","0.003","90","","1625.31","0.15","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Benzyl-6-benzylsulfanyl-9<i>H</i>-purin-2-amine","","- C19 H17 N5 S -","- C19 H17 N5 S -","- C76 H68 N20 S4 -","4","1","HB7176","Hariono, Maywan; Wahab, Habibah A.; Tan, Mei Lan; Rosli, Mohd Mustaqim; Razak, Ibrahim Abdul","9-Benzyl-6-benzylsulfanyl-9<i>H</i>-purin-2-amine","Acta Crystallographica Section E","2014","70","3","o288","","10.1107/S1600536814001986","","","0.71073","MoKα","","0.0802","0.0501","","","0.1163","0.1374","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239458","31.247","0.013","9.1889","0.001","9.3719","0.0012","90","","90","","90","","2690.9","1.2","293","2","293","2","101.325","","","","","","","5","P b c n","-P 2n 2ab","60","","2-(4-Chlorophenyl)-4-oxo-4-phenylbutanenitrile","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C128 H96 Cl8 N8 O8 -","8","1","","Ma, Ben; Zhou, Hongyan; Yang, Jingya","2-(4-Chlorophenyl)-4-oxo-4-phenylbutanenitrile","Acta Crystallographica Section E","2014","70","3","o259","","10.1107/S1600536814002335","","","0.71073","MoKα","","0.0982","0.0559","","","0.1148","0.1447","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239459","12.0673","0.0004","9.4109","0.0003","22.5852","0.0007","90","","103.66","0.002","90","","2492.32","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 4'-(3-bromophenyl)-3'-(2,5-dimethylbenzyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","- C29 H29 Br N2 O3 -","- C29 H29 Br N2 O3 -","- C116 H116 Br4 N8 O12 -","4","1","SU2698","Karthikeyan, S.; Sethusankar, K.; Devaraj, Anthonisamy; Bakthadoss, Manickam","Methyl 4'-(3-bromophenyl)-3'-(2,5-dimethylbenzyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2014","70","3","o299","o300","10.1107/S1600536814002967","","","0.71073","MoKα","","0.0624","0.035","","","0.0852","0.0971","","","","","","1.005","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239460","7.4065","0.0007","7.4065","0.0007","7.6235","0.0008","90","","90","","90","","418.2","0.07","173","2","173","2","","","","","","","","3","I -4 2 m","I -4 2","121","","1,3,6,8-Tetraazatricyclo[4.4.1.1^3,8^]dodecane","","- C8 H16 N4 -","- C8 H16 N4 -","- C16 H32 N8 -","2","0.125","","Rivera, Augusto; Ríos-Motta, Jaime; Bolte, Michael","Redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane","Acta Crystallographica Section E","2014","70","3","o266","","10.1107/S1600536814002608","","","0.71073","MoKα","","0.05","0.05","","","0.1411","0.1411","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239461","10.6715","0.0005","16.9824","0.0009","14.4061","0.0007","90","","103.515","0.003","90","","2538.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Methoxymethylidene)dimethylazanium tetraphenylborate acetonitrile monosolvate","","- C30 H33 B N2 O -","- C30 H33 B N2 O -","- C120 H132 B4 N8 O4 -","4","1","ZL2579","Tiritiris, Ioannis; Saur, Stefan; Kantlehner, Willi","(Methoxymethylidene)dimethylazanium tetraphenylborate acetonitrile monosolvate","Acta Crystallographica Section E","2014","70","3","o333","","10.1107/S1600536814003481","","","0.71073","MoKα","","0.0756","0.0502","","","0.1208","0.1363","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239462","15.061","0.003","21.992","0.004","5.437","0.001","90","","90","","90","","1800.9","0.6","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-(methylsulfonyl)aniline","","- C21 H20 N2 O2 S -","- C21 H20 N2 O2 S -","- C84 H80 N8 O8 S4 -","4","1","LH5693","Lai, Hongshan; Gallucci, Judith C.; Li, Chenglong","<i>N</i>-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-(methylsulfonyl)aniline","Acta Crystallographica Section E","2014","70","3","o332","","10.1107/S1600536814003614","","","0.7749","synchrotron","","0.0521","0.0447","","","0.1126","0.1179","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239463","34.5438","0.0015","6.0102","0.0002","15.6138","0.0007","90","","90","","90","","3241.7","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-[(1-Benzyl-1,2,3-triazol-5-yl)methyl]-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C18 H16 N4 O S -","- C18 H16 N4 O S -","- C144 H128 N32 O8 S8 -","8","2","RZ5106","Sebbar, Nada Kheira; El Fal, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","4-[(1-Benzyl-1,2,3-triazol-5-yl)methyl]-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2014","70","3","o363","o364","10.1107/S1600536814003900","","","0.71073","MoKα","","0.0952","0.0621","","","0.1455","0.1668","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239464","12.578","0.0011","12.578","0.0011","25.053","0.003","90","","90","","90","","3963.5","0.7","173","2","173","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","Tetrakis(2,3,5,5-tetramethylhexen-2-yl)silane","","- C40 H76 Si -","- C40 H76 Si -","- C160 H304 Si4 -","4","0.25","ZS2287","Meyer-Wegner, Frank; Bolte, Michael; Lerner, Hans-Wolfram","Tetrakis(2,3,5,5-tetramethylhexen-2-yl)silane","Acta Crystallographica Section E","2014","70","3","o376","","10.1107/S1600536814004322","","","0.71073","MoKα","","0.0723","0.0511","","","0.1266","0.1359","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239465","6.1771","0.0005","8.9928","0.0007","20.3736","0.0016","90","","90.978","0.002","90","","1131.58","0.16","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)propan-2-yl acetate","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","1","HB7195","Shahid, Hafiz Abdullah; Hussain, Ejaz; Jahangir, Sajid; Yousuf, Sammer","1-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)propan-2-yl acetate","Acta Crystallographica Section E","2014","70","3","o294","","10.1107/S1600536814002505","","","0.71073","MoKα","","0.0572","0.0433","","","0.1088","0.1189","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239466","8.9362","0.0002","6.8766","0.0002","15.5039","0.0004","90","","91.54","0.001","90","","952.38","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-(12-Amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-\ methylbenzenesulfonamide","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C46 H44 N4 O4 S2 -","2","1","TK5292","Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A.","<i>N</i>-(12-Amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","3","o248","o249","10.1107/S1600536814002189","","","1.54178","CuKα","","0.0322","0.0277","","","0.0628","0.0656","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239467","11.101","0.0005","8.7279","0.0004","15.7921","0.0007","90","","105.008","0.004","90","","1477.88","0.12","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Hydroxy-3-methoxybenzaldehyde 4-phenylthiosemicarbazone","3-[(4-Hydroxy-3-methoxybenzylidene)amino]-1-phenylthiourea","","- C15 H15 N3 O2 S -","- C15 H15 N3 O2 S -","- C60 H60 N12 O8 S4 -","4","1","","de Oliveira, Adriano Bof; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke","4-Hydroxy-3-methoxybenzaldehyde 4-phenylthiosemicarbazone","Acta Crystallographica Section E","2014","70","3","o278","","10.1107/S1600536814002773","","","0.71073","MoKα","","0.0437","0.0343","","","0.0789","0.0825","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239468","17.897","0.006","10.753","0.003","17.775","0.005","90","","98.541","0.018","90","","3382.8","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Fluorophenyl)-2-(4-methylphenyl)-3-methylsulfanyl-1-benzofuran","","- C22 H17 F O S -","- C22 H17 F O S -","- C176 H136 F8 O8 S8 -","8","2","BX2454","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-(4-Fluorophenyl)-2-(4-methylphenyl)-3-methylsulfanyl-1-benzofuran","Acta Crystallographica Section E","2014","70","3","o258","","10.1107/S1600536814002402","","","0.71073","MoKα","","0.0558","0.041","","","0.1048","0.1141","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239469","9.367","0.004","9.367","0.004","49.137","0.014","90","","90","","90","","4311","3","293","2","293","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(3<i>R</i>,4<i>S</i>)-3-Methyl-4-phenyl-2-[(<i>R</i>)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium tetrafluoridoborate","","- C24 H24 B F4 N -","- C24 H24 B F4 N -","- C192 H192 B8 F32 N8 -","8","1","LD2119","Ben Ali, Karim; Retailleau, Pascal","(3<i>R</i>,4<i>S</i>)-3-Methyl-4-phenyl-2-[(<i>R</i>)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium tetrafluoridoborate","Acta Crystallographica Section E","2014","70","3","o255","","10.1107/S160053681400230X","","","1.5418","CuKα","","0.1415","0.0647","","","0.169","0.2149","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239470","7.4665","0.0002","17.7858","0.0005","6.6821","0.0002","90","","90","","90","","887.37","0.04","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[(μ~3~-3,5-dinitrobenzoato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^)(μ~2~-hydroxido-κ^2^<i>O</i>:<i>O</i>)copper(II)]","","- C7 H4 Cu N2 O7 -","- C7 H4 Cu N2 O7 -","- C28 H16 Cu4 N8 O28 -","4","1","","Sinha, B.; Dey, G. C.; Sarkar, B.; Roy, A.; Ng, Seik Weng; Tiekink, Edward R. T.","Poly[(μ~3~-3,5-dinitrobenzoato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^)(μ~2~-hydroxido-κ^2^<i>O</i>:<i>O</i>)copper(II)]","Acta Crystallographica Section E","2014","70","3","m112","m113","10.1107/S1600536814004280","","","1.54184","CuKα","","0.0271","0.027","","","0.0765","0.0765","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239471","5.6462","0.0002","15.8373","0.0005","8.4442","0.0003","90","","106.779","0.001","90","","722.94","0.04","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Propane-1,2-diammonium chromate(VI)","","- C3 H12 Cr N2 O4 -","- C3 H12 Cr N2 O4 -","- C12 H48 Cr4 N8 O16 -","4","1","HB7193","Trabelsi, Sonia; Essid, Manel; Roisnel, Thierry; Rzaigui, Mohamed; Marouani, Houda","Propane-1,2-diammonium chromate(VI)","Acta Crystallographica Section E","2014","70","3","m84","m85","10.1107/S1600536814002463","","","0.71073","MoKα","","0.0277","0.0256","","","0.0701","0.0711","","","","","","1.136","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239472","11.2102","0.0003","11.5909","0.0003","12.3569","0.0004","99.0734","0.0008","90.1887","0.0009","116.404","0.001","1415.22","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","5-Chloro-5''-(4-chlorobenzylidene)-4'-(4-chlorophenyl)-1',1''-dimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","","- C30 H26 Cl3 N3 O2 -","- C30 H26 Cl3 N3 O2 -","- C60 H52 Cl6 N6 O4 -","2","1","","Farag, I. S. Ahmed; Girgis, Adel S.; Ramadan, A. A.; Moustafa, A. M.; Mabied, Ahmed F.","5-Chloro-5''-(4-chlorobenzylidene)-4'-(4-chlorophenyl)-1',1''-dimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","Acta Crystallographica Section E","2014","70","3","o379","o380","10.1107/S1600536814004309","","","0.71073","MoKα","","0.1157","0.0565","","0.1346","0.1108","0.1108","","","","","","1.0046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239473","7.5563","0.0004","28.8497","0.0016","12.4274","0.0008","90","","90.433","0.003","90","","2709.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 3'-benzyl-4'-(2,4-dichlorophenyl)-1'-methyl-2-oxo-1-propylspiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","- C30 H30 Cl2 N2 O3 -","- C30 H30 Cl2 N2 O3 -","- C120 H120 Cl8 N8 O12 -","4","1","SU2694","Karthikeyan, S.; Sethusankar, K.; Devaraj, Anthonisamy; Bakthadoss, Manickam","Methyl 3'-benzyl-4'-(2,4-dichlorophenyl)-1'-methyl-2-oxo-1-propylspiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2014","70","3","o272","","10.1107/S1600536814002621","","","0.71073","MoKα","","0.0881","0.0505","","","0.141","0.1668","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239474","11.6695","0.0003","8.52379","0.00018","11.8165","0.0003","90","","111.753","0.003","90","","1091.67","0.05","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dirubidium lutetium tetrasilicate fluoride","","- F Lu O10 Rb2 Si4 -","- F Lu O10 Rb2 Si4 -","- F4 Lu4 O40 Rb8 Si16 -","4","1","WM5002","Kahlenberg, Volker; Manninger, Tanja","Rb~2~Lu[Si~4~O~10~]F, a tubular chain silicate","Acta Crystallographica Section E","2014","70","3","i14","","10.1107/S1600536814003043","","","0.71073","MoKα","","0.018","0.0165","","","0.0362","0.0366","","","","","","1.2","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239475","7.7425","0.0002","9.6634","0.0002","12.1276","0.0003","90","","106.008","0.003","90","","872.19","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Nitrophthalamide","4-Nitrobenzene-1,2-dicarboxamide","","- C8 H7 N3 O4 -","- C8 H7 N3 O4 -","- C32 H28 N12 O16 -","4","1","","Jan, Chin Yee; Shamsudin, Norzianah Binti Haji; Tan, Ai Ling; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","4-Nitrophthalamide","Acta Crystallographica Section E","2014","70","3","o293","","10.1107/S1600536814002955","","","1.54184","CuKα","","0.0332","0.032","","","0.0886","0.0901","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239476","6.9964","0.0015","55.786","0.012","6.1443","0.0014","90","","90","","90","","2398.1","0.9","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","2-[(<i>E</i>)-(4-Bromophenyl)iminomethyl]-4-chlorophenol","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C104 H72 Br8 Cl8 N8 O8 -","8","1","FJ2653","Gao, Xiao-Li; Feng, Si-Si; Yuan, Cai-Xia; Zhu, Miao-Li","2-[(<i>E</i>)-(4-Bromophenyl)iminomethyl]-4-chlorophenol","Acta Crystallographica Section E","2014","70","3","o235","o236","10.1107/S1600536814000981","","","0.71073","MoKα","","0.0852","0.0543","","","0.1179","0.1278","","","","","","1.138","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239477","14.113","0.011","11.161","0.008","16.708","0.012","90","","112.837","0.014","90","","2425","3","277","2","277","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,9-Bis(5-sulfanylidene-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1,10-phenanthroline dimethyl sulfoxide disolvate","2,9-Bis(4,5-dihydro-1,3,4-oxadiazol-2-yl)-1,10-phenanthroline dimethyl sulfoxide disolvate","","- C20 H20 N6 O4 S4 -","- C20 H20 N6 O4 S4 -","- C80 H80 N24 O16 S16 -","4","0.5","FJ2661","Rahman, Md. A; Karim, Mohammad; Arifuzzaman, Md.; Siddiquee, Tasneem; Daniels, Lee M.","2,9-Bis(5-sulfanylidene-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1,10-phenanthroline dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2014","70","3","o321","o322","10.1107/S1600536814003304","","","0.71075","MoKα","","0.1142","0.0667","","","0.144","0.1713","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239478","9.576","0.0002","12.231","0.0003","9.9811","0.0002","90","","120.392","0.002","90","","1008.38","0.04","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Phenyl-1,2,5-dithiazepane","","- C10 H13 N S2 -","- C10 H13 N S2 -","- C40 H52 N4 S8 -","4","1","","Mitchell, Lauren A.; Mejía, Michelle L.; Keskin, Seyma Gören; Holliday, Bradley J.","5-Phenyl-1,2,5-dithiazepane","Acta Crystallographica Section E","2014","70","3","o285","","10.1107/S1600536814002207","","","0.7107","MoKα","","0.0253","0.0239","","","0.0625","0.064","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239479","7.32","0.003","7.584","0.004","13.413","0.002","85.35","0.03","75.56","0.02","74.42","0.05","694.5","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","Bis(2,6-dimethylanilinium) diaquabis(dihydrogen diphosphato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II)","","- C16 H32 Co N2 O16 P4 -","- C16 H32 Co N2 O16 P4 -","- C16 H32 Co N2 O16 P4 -","1","0.5","HB7194","Saad, Ahlem Ben; Selmi, Ahmed; Rzaigui, Mohamed; Akriche, Samah Toumi","Bis(2,6-dimethylanilinium) diaquabis(dihydrogen diphosphato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II)","Acta Crystallographica Section E","2014","70","3","m86","m87","10.1107/S1600536814002530","","","0.56087","AgKα","","0.0761","0.0606","","","0.1579","0.1682","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239480","8.4209","0.0001","8.9042","0.0001","10.8628","0.0001","106.956","0.001","90.441","0.001","108.9","0.001","732.383","0.015","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-2-methyl-3-(3-methylphenylsulfinyl)-1-benzofuran","","- C16 H13 Br O2 S -","- C16 H13 Br O2 S -","- C32 H26 Br2 O4 S2 -","2","1","SU2700","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2-methyl-3-(3-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","3","o320","","10.1107/S1600536814003365","","","0.71073","MoKα","","0.0269","0.0245","","","0.0644","0.0656","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239481","12.8642","0.0003","9.2013","0.0002","13.2578","0.0003","90","","90","","90","","1569.29","0.06","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Nitrophthalonitrile","4-Nitrobenzene-1,2-dicarbonitrile","","- C8 H3 N3 O2 -","- C8 H3 N3 O2 -","- C64 H24 N24 O16 -","8","1","","Jan, Chin Yee; Shamsudin, Norzianah Binti Haji; Tan, Ai Ling; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","4-Nitrophthalonitrile","Acta Crystallographica Section E","2014","70","3","o323","","10.1107/S1600536814003468","","","1.54184","CuKα","","0.0313","0.0298","","","0.0864","0.0878","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239482","11.1482","0.0006","13.0903","0.0007","7.0432","0.0004","90","","90","","90","","1027.84","0.1","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(Dimethylphosphoryl)methanaminium hydrogen oxalate; oxalic acid","","- C6 H13 N O7 P -","- C6 H13 N O7 P -","- C24 H52 N4 O28 P4 -","4","1","","Bialek, Sebastian; Clemens, Rebecca; Reiss, Guido J.","(Dimethylphosphoryl)methanaminium hydrogen oxalate‒oxalic acid (2/1)","Acta Crystallographica Section E","2014","70","3","o312","","10.1107/S1600536814002931","","","0.71073","MoKα","","0.0195","0.0194","","","0.052","0.0521","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239483","5.9051","0.0004","11.706","0.0009","12.7906","0.001","65.839","0.004","85.795","0.004","83.394","0.004","801.01","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran","","- C17 H21 Br O2 S -","- C17 H21 Br O2 S -","- C34 H42 Br2 O4 S2 -","2","1","GG2135","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","3","o310","","10.1107/S1600536814003171","","","0.71073","MoKα","","0.0456","0.0378","","","0.0877","0.0908","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239484","10.0121","0.0003","12.6146","0.0004","14.9503","0.0004","77.9547","0.0014","73.4361","0.0013","89.1187","0.0013","1768.04","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-(9-chloro-10-oxo-9,10-dihydroanthracen-9-yl)-5-methylisoxazole-4-\ carboxylate","","- C21 H16 Cl N O4 -","- C21 H16 Cl N O4 -","- C84 H64 Cl4 N4 O16 -","4","2","FF2125","Duncan, Nathan S.; Beall, Howard D.; Kearns, Alison K.; Li, Chun; Natale, Nicholas R.","Ethyl 3-(9-chloro-10-oxo-9,10-dihydroanthracen-9-yl)-5-methylisoxazole-4-carboxylate","Acta Crystallographica Section E","2014","70","3","o315","o316","10.1107/S1600536814003080","","","0.71073","MoKα","","0.0362","0.033","","","0.0858","0.0886","","","","","","1.028","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239485","8.8352","0.0001","11.4047","0.0001","16.1327","0.0002","90","","90","","90","","1625.58","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-Ferrocenyl-3-(2-methoxyphenyl)prop-2-en-1-one","","- C20 H18 Fe O2 -","- C20 H18 Fe O2 -","- C80 H72 Fe4 O8 -","4","1","","Otaño Vega, Myrna R.; Rivero, Kennett I.; Montes González, Ingrid","(<i>E</i>)-1-Ferrocenyl-3-(2-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","3","m108","m109","10.1107/S1600536814003912","","","0.71073","MoKα","","0.0321","0.026","","","0.0619","0.0647","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239486","7.8152","0.0004","9.2949","0.0004","17.542","0.0008","85.394","0.004","85.107","0.004","82.659","0.004","1256.12","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","Bis(η^5^-pentamethylcyclopentadienyl)aluminium tetrabromidoaluminate","","- C20 H30 Al2 Br4 -","- C20 H30 Al2 Br4 -","- C40 H60 Al4 Br8 -","2","1","BH2490","Purdy, Andrew P.; Dugger, Cherrelle; Butcher, Ray J.","Bis(η^5^-pentamethylcyclopentadienyl)aluminium tetrabromidoaluminate","Acta Crystallographica Section E","2014","70","3","m88","m89","10.1107/S1600536814002554","","","0.71073","MoKα","","0.0859","0.0428","","","0.0584","0.0721","","","","","","0.912","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239487","6.1435","0.0003","14.3844","0.0008","15.8516","0.0009","108.038","0.005","91.258","0.004","96.033","0.004","1322.39","0.13","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-{[4-(Dimethylamino)benzylidene]amino}-5-nitrophenol","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","2","SU2709","Hijji, Yousef; Butcher, Ray J.; Jasinski, Jerry P.","(<i>E</i>)-2-{[4-(Dimethylamino)benzylidene]amino}-5-nitrophenol","Acta Crystallographica Section E","2014","70","5","o598","o599","10.1107/S160053681400871X","","","1.54184","CuKα","","0.0471","0.0413","","","0.1155","0.119","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239488","20.853","0.007","14.099","0.005","14.364","0.005","90","","90","","90","","4223","3","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Poly[(μ~3~-3,5-diisopropyl-4<i>H</i>-1,2,4-triazolato-κ^3^<i>N</i>:<i>N</i>':<i>N</i>'')silver(I)]","","- C8 H14 Ag N3 -","- C8 H14 Ag N3 -","- C128 H224 Ag16 N48 -","16","1","XU5742","Cui, Guo-Gen; Yang, Xiao-Xi; Yang, Jian-Ping; Jiang, Xiang","Poly[(μ~3~-3,5-diisopropyl-4<i>H</i>-1,2,4-triazolato-κ^3^<i>N</i>:<i>N</i>':<i>N</i>'')silver(I)]","Acta Crystallographica Section E","2014","70","5","m189","","10.1107/S1600536814008083","","","0.71073","MoKα","","0.0172","0.0167","","","0.0442","0.0448","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239489","9.0254","0.0013","7.7388","0.0012","42.488","0.007","90","","90","","90","","2967.6","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2<i>Z</i>)-2-Benzylidene-4-(prop-2-yn-1-yl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C18 H13 N O S -","- C18 H13 N O S -","- C144 H104 N8 O8 S8 -","8","1","TK5310","Sebbar, Nada Kheira; Zerzouf, Abdelfettah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","(2<i>Z</i>)-2-Benzylidene-4-(prop-2-yn-1-yl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2014","70","5","o614","","10.1107/S1600536814009179","","","0.71073","MoKα","","0.074","0.0457","","","0.109","0.1241","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239490","7.3132","0.0003","7.5663","0.0003","14.4543","0.0007","95.033","0.001","97.188","0.001","101.938","0.001","771.03","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-Bromo-2-[4-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-1,3-benzothiazolo[3,2-<i>a</i>]imidazole","","- C16 H15 Br N2 S2 -","- C16 H15 Br N2 S2 -","- C32 H30 Br2 N4 S4 -","2","1","RK2426","Bunev, Alexander S.; Sukhonosova, Elena V.; Statsyuk, Vladimir E.; Ostapenko, Gennady I.; Khrustalev, Victor N.","3-Bromo-2-[4-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-1,3-benzothiazolo[3,2-<i>a</i>]imidazole","Acta Crystallographica Section E","2014","70","5","o596","o597","10.1107/S1600536814008976","","","0.71073","MoKα","","0.037","0.0301","","","0.0706","0.0725","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239491","5.9617","0.001","12.068","0.002","9.5909","0.0015","90","","95.789","0.008","90","","686.51","0.19","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1<i>S</i>,2<i>R</i>,3<i>S</i>,6<i>S</i>,7<i>R</i>)-3,7,11,11-Tetramethyl-6,7-epoxybicyclo[5.4.0]undecane-2-ol","","- C15 H26 O2 -","- C15 H26 O2 -","- C30 H52 O4 -","2","1","BT6976","Loubidi, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","(1<i>S</i>,2<i>R</i>,3<i>S</i>,6<i>S</i>,7<i>R</i>)-3,7,11,11-Tetramethyl-6,7-epoxybicyclo[5.4.0]undecane-2-ol","Acta Crystallographica Section E","2014","70","5","o595","","10.1107/S1600536814008642","","","0.71073","MoKα","","0.0524","0.0454","","","0.1252","0.1312","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239492","13.6308","0.0014","5.4023","0.0005","17.5751","0.0019","90","","93.065","0.004","90","","1292.3","0.2","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","(2<i>E</i>)-2-Benzylidene-<i>N</i>-phenylhydrazinecarboxamide","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","YK2104","Layana, S. R.; Sithambaresan, M.; Siji, V. L.; Sudarsanakumar, M. R.; Suma, S.","(2<i>E</i>)-2-Benzylidene-<i>N</i>-phenylhydrazinecarboxamide","Acta Crystallographica Section E","2014","70","5","o591","","10.1107/S1600536814008344","","","0.71073","MoKα","","0.0659","0.0443","","","0.1201","0.1457","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239493","5.837","0.003","21.021","0.01","7.884","0.004","90","","100.256","0.007","90","","951.9","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>R</i>)-[(<i>R</i>)-3-Benzyl-2-oxooxazolidin-4-yl][4-(methylsulfonyl)phenyl]methyl acetate","","- C20 H21 N O6 S -","- C20 H21 N O6 S -","- C40 H42 N2 O12 S2 -","2","1","HG5390","Li, Feng; Zhao, Ming-Zhong; Jin, Chun-Hua; Zou, Jian-Wei","(<i>R</i>)-[(<i>R</i>)-3-Benzyl-2-oxooxazolidin-4-yl][4-(methylsulfonyl)phenyl]methyl acetate","Acta Crystallographica Section E","2014","70","5","o606","","10.1107/S1600536814009106","","","0.71073","MoKα","","0.041","0.0354","","","0.0872","0.0914","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239494","7.411","0.005","12.314","0.005","29.684","0.005","90","","90","","90","","2709","2","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Chloro-2-{[4-(dimethylamino)benzylidene]amino}phenol","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C120 H120 Cl8 N16 O8 -","8","1","XU5785","Ghichi, Nadir; Benaouida, Mohamed Amine; Benosmane, Ali; Benboudiaf, Ali; Merazig, Hocine","(<i>E</i>)-4-Chloro-2-{[4-(dimethylamino)benzylidene]amino}phenol","Acta Crystallographica Section E","2014","70","5","o603","","10.1107/S1600536814008873","","","0.71073","MoKα","","0.0565","0.0425","","","0.096","0.1024","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239495","7.5343","0.0002","13.6212","0.0005","13.9887","0.0005","106.307","0.002","97.946","0.001","92.103","0.002","1360.31","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-6-methylpyridinium 4-methylbenzenesulfonate","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C52 H64 N8 O12 S4 -","4","2","SU2726","Babu, K. Syed Suresh; Dhavamurthy, M.; NizamMohideen, M.; Peramaiyan, G.; Mohan, R.","2-Amino-6-methylpyridinium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2014","70","5","o600","o601","10.1107/S1600536814008587","","","0.71073","MoKα","","0.0594","0.0402","","","0.1034","0.1186","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239496","16.2808","0.0008","10.4348","0.0005","16.2905","0.0007","90","","90","","90","","2767.5","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-(4-Hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","1","","Sathya, S.; Reuben Jonathan, D.; Prathebha, K.; Usha, G.; Jovita, J.","(<i>E</i>)-3-(4-Hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","5","o593","o594","10.1107/S1600536814008757","","","0.71073","MoKα","","0.089","0.0394","","","0.0952","0.1282","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239497","9.192","0.0009","13.8931","0.0013","10.9299","0.001","90","","106.619","0.002","90","","1337.5","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-1-(3,5-Dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","","Ezhilarasi, K. S.; Reuben Jonathan, D.; Sathya, Shanmugam; Prathebha, K.; Usha, G.","(2<i>E</i>)-1-(3,5-Dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","5","o608","o609","10.1107/S1600536814009155","","","0.71073","MoKα","","0.0561","0.0419","","","0.1201","0.1373","","","","","","0.907","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239498","8.2341","0.0002","21.192","0.0005","13.1284","0.0004","90","","99.722","0.001","90","","2257.97","0.1","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')chloridonickel(II) nitrate trihydrate","","- C20 H22 Cl N5 Ni O6 -","- C20 H22 Cl N5 Ni O6 -","- C80 H88 Cl4 N20 Ni4 O24 -","4","1","HB7220","Boutebdja, Mehdi; Beghidja, Adel; Beghidja, Chahrazed; Setifi, Zouaoui; Merazig, Hocine","Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')chloridonickel(II) nitrate trihydrate","Acta Crystallographica Section E","2014","70","5","m190","m191","10.1107/S1600536814009064","","","0.71073","MoKα","","0.0662","0.0438","","","0.1144","0.1269","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239499","10.429","0.0004","40.4773","0.0016","10.8087","0.0005","90","","100.262","0.0013","90","","4489.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1<i>E</i>,4<i>E</i>)-1,5-Bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one","","- C25 H32 N2 O -","- C25 H32 N2 O -","- C200 H256 N16 O8 -","8","2","SJ5396","Ruanwas, Pumsak; Chantrapromma, Suchada; Ghabbour, Hazem A.; Fun, Hoong-Kun","(1<i>E</i>,4<i>E</i>)-1,5-Bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one","Acta Crystallographica Section E","2014","70","5","o589","o590","10.1107/S1600536814008356","","","0.71073","MoKα","","0.1439","0.0833","","","0.2237","0.2695","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239500","11.393","0.004","8.989","0.003","14.467","0.005","90","","109.94","0.009","90","","1392.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[Ethyl(2-hydroxyethyl)carbamothioyl]-2-methylbenzamide","","- C13 H18 N2 O2 S -","- C13 H18 N2 O2 S -","- C52 H72 N8 O8 S4 -","4","1","LR2125","Yamin, Bohari M.; Hizam, Sara Maira M.; Yusoff, Siti Fairus M.; Hasbullah, Siti Aishah","<i>N</i>-[Ethyl(2-hydroxyethyl)carbamothioyl]-2-methylbenzamide","Acta Crystallographica Section E","2014","70","5","o602","","10.1107/S1600536814008952","","","0.71073","MoKα","","0.0534","0.036","","","0.077","0.0876","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239501","9.7537","0.0009","10.5758","0.001","17.8255","0.0017","83.435","0.002","81.702","0.002","75.621","0.002","1756.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-(4-bromobenzyl)-2-(4-bromophenyl)-1H-benzimidazole","1-(4-Bromobenzyl)-2-(4-bromophenyl)-1<i>H</i>-benzimidazole","","- C20 H14 Br2 N2 -","- C20 H14 Br2 N2 -","- C80 H56 Br8 N8 -","4","2","","Ma, Hua-Jun; Qu, Zhi-Rong","1-(4-Bromobenzyl)-2-(4-bromophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2014","70","5","o610","o611","10.1107/S1600536814009076","","","0.71073","MoKα","","0.0782","0.0413","","","0.1117","0.1284","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239502","8.776","0.0005","6.8989","0.0004","14.3518","0.0008","90","","90","","90","","868.93","0.09","90","0.2","90","0.2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,4-Dichloro-1-iodo-6-nitrobenzene","","- C6 H2 Cl2 I N O2 -","- C6 H2 Cl2 I N O2 -","- C24 H8 Cl8 I4 N4 O8 -","4","0.5","LH5698","Li, Xueshu; Parkin, Sean; Lehmler, Hans-Joachim","2,4-Dichloro-1-iodo-6-nitrobenzene","Acta Crystallographica Section E","2014","70","5","o607","","10.1107/S1600536814008733","","","1.54178","CuKα","","0.0376","0.0368","","","0.0962","0.0983","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239503","10.5452","0.0007","6.3093","0.0004","13.7813","0.0009","90","","91.626","0.004","90","","916.54","0.1","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","5-Cyclopentyl-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C42 H44 O6 S2 -","2","1","BT6977","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclopentyl-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","5","o592","","10.1107/S160053681400868X","","","0.71073","MoKα","","0.0601","0.043","","","0.0979","0.1057","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239504","16.476","0.003","13.527","0.002","10.0727","0.0018","90","","99.868","0.005","90","","2211.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N5 O5 S -","- C23 H23 N5 O5 S -","- C92 H92 N20 O20 S4 -","4","1","BH2496","Nagalakshmi, R. A.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","5-Amino-6-benzoyl-8-nitro-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indolin]-2'-one dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2014","70","5","o604","o605","10.1107/S1600536814008800","","","0.71073","MoKα","","0.0912","0.0558","","","0.1366","0.1602","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239505","11.6359","0.0003","13.2501","0.0003","17.7412","0.0004","90","","129.898","0.001","90","","2098.47","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-nitrophenyl)thiophene-2-carboxamide","<i>N</i>-(2-Nitrophenyl)thiophene-2-carboxamide","","- C11 H8 N2 O3 S -","- C11 H8 N2 O3 S -","- C88 H64 N16 O24 S8 -","8","2","TK5309","Moreno-Fuquen, Rodolfo; Azcárate, Alexis; Kennedy, Alan R.","<i>N</i>-(2-Nitrophenyl)thiophene-2-carboxamide","Acta Crystallographica Section E","2014","70","5","o613","","10.1107/S160053681400912X","","","0.71073","MoKα","","0.0641","0.0465","","","0.1065","0.1163","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239506","13.138","0.002","15.615","0.003","6.7726","0.0011","90","","90","","90","","1389.4","0.4","296","2","296","2","","","","","","","","3","I b a m","-I 2 2c","72","","4,4'-Dimethoxybiphenyl-3,3'-dicarboxylic acid","","- C16 H14 O6 -","- C16 H14 O6 -","- C64 H56 O24 -","4","0.25","","Lundvall, Fredrik; Wragg, David Stephen; Dietzel, Pascal D. C.; Fjellvåg, Helmer","4,4'-Dimethoxybiphenyl-3,3'-dicarboxylic acid","Acta Crystallographica Section E","2014","70","5","o615","","10.1107/S1600536814008599","","","0.71073","MoKα","","0.0509","0.0462","","","0.1308","0.1355","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239507","15.3833","0.0008","15.3833","0.0008","6.7051","0.0003","90","","90","","120","","1374.15","0.12","115","","115","","","","","","","","","4","R 3","R 3","146","Tribenzylammonium chloride","Tribenzylazanium chloride","","- C21 H22 Cl N -","- C21 H22 Cl N -","- C63 H66 Cl3 N3 -","3","","WM5019","Diallo, Waly; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Tribenzylammonium chloride","Acta Crystallographica Section E","2014","70","5","o618","o619","10.1107/S1600536814009246","","","0.71073","MoKα","","0.0209","0.0208","","","0.0514","0.0515","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239508","15.2938","0.0009","6.8601","0.0003","17.8075","0.001","90","","99.996","0.005","90","","1839.95","0.17","200","1","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","rubidium 4-nitroanthranilate monohydrate","Poly[bis(μ-2-amino-4-nitrobenzoato)di-μ-aqua-dirubidium]","","- C7 H7 N2 O5 Rb -","- C7 H7 N2 O5 Rb -","- C56 H56 N16 O40 Rb8 -","8","2","WM5020","Smith, Graham","Poly[bis(μ-2-amino-4-nitrobenzoato)di-μ-aqua-dirubidium]","Acta Crystallographica Section E","2014","70","5","m192","m193","10.1107/S1600536814008861","","","0.71073","MoKα","","0.0724","0.0455","","","0.0668","0.0749","","","","","","1.026","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2239509","14.4712","0.0002","9.5592","0.0002","29.5386","0.0005","90","","98.898","0.001","90","","4036.99","0.12","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-Cyanonaphthalen-2-yl 4-hexylbenzoate","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C192 H184 N8 O16 -","8","1","LH5699","Rahman, Md. Lutfor; Srinivasa, H. T.; Mashitah, Mohd. Yusoff; Kwong, Huey Chong; Quah, Ching Kheng","6-Cyanonaphthalen-2-yl 4-hexylbenzoate","Acta Crystallographica Section E","2014","70","5","o620","","10.1107/S160053681400909X","","","1.54178","CuKα","","0.0943","0.0689","","","0.2349","0.2675","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239510","13.9016","0.0002","13.9016","0.0002","38.834","0.0009","90","","90","","90","","7504.8","0.2","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","Tetrakis[μ~3~-2-(piperidin-1-yl)ethanolato]tetrakis[chloridocopper(II)]","","- C28 H56 Cl4 Cu4 N4 O4 -","- C28 H56 Cl4 Cu4 N4 O4 -","- C224 H448 Cl32 Cu32 N32 O32 -","8","1","XU5784","Luo, Mei; Huang, Yong-Hua; Zhang, Jing-Cheng","Tetrakis[μ~3~-2-(piperidin-1-yl)ethanolato]tetrakis[chloridocopper(II)]","Acta Crystallographica Section E","2014","70","5","m194","","10.1107/S1600536814009052","","","1.54178","CuKα","","0.0728","0.0683","","","0.1786","0.1819","","","","","","1.165","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239511","9.563","0.003","10.101","0.004","11.679","0.004","96.365","0.014","99.134","0.013","107.683","0.013","1045.9","0.6","123","","123","","","","","","","","","3","P -1","-P 1","2","","Heptacyclo[21.13.1.1^5,19^.1^6,18^.1^10,14^.1^24,36^.1^28,32^]dotetraconta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodecaene‒ethenetetracarbonitrile (1/2)","","- C54 H48 N8 -","- C54 H48 N8 -","- C54 H48 N8 -","1","0.5","","Shibahara, Masahiko; Watanabe, Motonori; Goto, Kenta; Shinmyozu, Teruo","Four-layered [3.3]metacyclophane with ethenetetracarbonitrile","Acta Crystallographica Section E","2014","70","5","o625","o626","10.1107/S1600536814009362","","","0.71075","MoKα","","","0.0596","","","","0.1782","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239512","18.932","0.012","7.327","0.004","6.352","0.004","90","","91","0.013","90","","881","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,6-bis(p-tolyloxy)hexane","1,6-Bis(<i>p</i>-tolyloxy)hexane","","- C20 H26 O2 -","- C20 H26 O2 -","- C40 H52 O4 -","2","0.5","","Zhang, XiuQin; Xiao, Jian; Xue, Wei-Wei; Chen, Qiang; Wang, Kai","1,6-Bis(<i>p</i>-tolyloxy)hexane","Acta Crystallographica Section E","2014","70","5","o617","","10.1107/S1600536814009222","","","0.71073","MoKα","","0.1207","0.0771","","","0.2388","0.3164","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239513","10.54812","0.00016","12.77836","0.00019","18.48","0.0003","90","","90","","90","","2490.88","0.07","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[2-(2-Nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]-3-phenylpropan-1-ol","","- C30 H25 N3 O3 -","- C30 H25 N3 O3 -","- C120 H100 N12 O12 -","4","1","RZ5116","Li, Yizhen; Mao, Pu; Xiao, Yongmei; Yang, Liangru; Qu, Lingbo","2-[2-(2-Nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]-3-phenylpropan-1-ol","Acta Crystallographica Section E","2014","70","5","o621","","10.1107/S1600536814008770","","","1.5418","CuKα","","0.0397","0.038","","","0.1086","0.1112","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239514","6.808","0.0004","7.5569","0.0004","14.3902","0.0008","98.514","0.004","92.062","0.005","102.698","0.005","712.47","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Bis(4-hydroxy-3-methoxybenzaldehyde 4-phenylthiosemicarbazonato-<i>N</i>^1^,S)nickel(II)","Bis(4-hydroxy-3-methoxybenzaldehyde 4-phenylthiosemicarbazonato-<i>N</i>^1^,<i>S</i>)nickel(II)","","- C30 H28 N6 Ni O4 S2 -","- C30 H28 N6 Ni O4 S2 -","- C30 H28 N6 Ni O4 S2 -","1","0.5","LR2126","de Oliveira, Adriano Bof; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke","Bis(4-hydroxy-3-methoxybenzaldehyde 4-phenylthiosemicarbazonato-<i>N</i>^1^,<i>S</i>)nickel(II)","Acta Crystallographica Section E","2014","70","5","m195","","10.1107/S1600536814009027","","","0.71073","MoKα","","0.0402","0.0302","","","0.0772","0.0796","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239515","26.0808","0.0005","7.9335","0.0002","21.1573","0.0004","90","","122.839","0.001","90","","3678.13","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(2-Allyl-4-ethoxy-2<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide","","- C19 H21 N3 O3 S -","- C19 H21 N3 O3 S -","- C152 H168 N24 O24 S8 -","8","1","RZ5122","Chicha, Hakima; Rakib, El Mostapha; Bouissane, Latifa; Viale, Maurizio; Saadi, Mohamed; El Ammari, Lahcen","<i>N</i>-(2-Allyl-4-ethoxy-2<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","5","o624","","10.1107/S1600536814009283","","","0.71073","MoKα","","0.064","0.0458","","","0.1236","0.1338","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239516","16.6112","0.0012","5.8445","0.0005","17.5415","0.001","90","","93.131","0.005","90","","1700.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[(4-Phenoxyphenyl)sulfanyl]-5-phenyl-1<i>H</i>-1,2,4-triazole","","- C20 H15 N3 O S -","- C20 H15 N3 O0.997 S -","- C80 H60 N12 O3.988 S4 -","4","1","SU2718","Ben Othman, Raja; Marchivie, Mathieu; Suzenet, Franck; Routier, Sylvain","3-[(4-Phenoxyphenyl)sulfanyl]-5-phenyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2014","70","5","o622","o623","10.1107/S1600536814008204","","","0.71073","MoKα","","0.0725","0.052","","","0.1353","0.1521","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239517","5.7727","0.0008","10.3421","0.0015","13.1675","0.0019","87.175","0.002","78.856","0.002","81.474","0.002","762.6","0.19","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine-κ^2^<i>N</i>:<i>N</i>']{μ-2,2'-[(1,4-phenylene)bis(oxy)]diacetato-κ^2^<i>O</i>:<i>O</i>'}cobalt(II)] pentahydrate]","","- C26 H42 Co N4 O13 -","- C26 H32 Co N4 O8 -","- C26 H32 Co N4 O8 -","1","0.5","","Sample, Alexander D.; LaDuca, Robert L.","Poly[[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine-κ^2^<i>N</i>:<i>N</i>']{μ-2,2'-[(1,4-phenylene)bis(oxy)]diacetato-κ^2^<i>O</i>:<i>O</i>'}cobalt(II)] pentahydrate]","Acta Crystallographica Section E","2014","70","6","m198","m199","10.1107/S1600536814008745","","","0.71073","MoKα","","0.1397","0.0925","","","0.2018","0.228","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239518","15.7822","0.0005","5.8465","0.0002","17.4107","0.0005","90","","105.885","0.001","90","","1545.15","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","oxopropylidene pyrrolidin","(<i>E</i>)-1-Benzyl-5-(3,3,3-trichloro-2-oxopropylidene)pyrrolidin-2-one","","- C14 H12 Cl3 N O2 -","- C14 H12 Cl3 N O2 -","- C56 H48 Cl12 N4 O8 -","4","1","","Fabiani Claro Flores, Alex; Correia Flores, Darlene; Rosa de Menezes Vicenti, Juliano; Pizzuti, Lucas; Teixeira Campos, Patrick","(<i>5E</i>)-1-Benzyl-5-(3,3,3-trichloro-2-oxopropylidene)pyrrolidin-2-one","Acta Crystallographica Section E","2014","70","6","o629","o630","10.1107/S160053681400751X","","","0.71073","MoKα","","0.1175","0.0538","","","0.1686","0.217","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239519","8.0097","0.0002","12.1155","0.0004","11.3627","0.0003","90","","95.077","0.003","90","","1098.33","0.05","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","deacetylcinobufalactam monohydrate","Deacetylcinobufalactam monohydrate","","- C24 H35 N O5 -","- C24 H35 N O5 -","- C48 H70 N2 O10 -","2","1","ZS2298","Tang, Hong-Jin; Yuan, Xiao-Feng; Tian, Hai-Yan; Ruan, Li-Juan; Jiang, Ren-Wang","Deacetylcinobufalactam monohydrate","Acta Crystallographica Section E","2014","70","6","o651","o652","10.1107/S1600536814010046","","","1.54184","CuKα","","0.0336","0.0312","","","0.0784","0.0806","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239520","4.6557","0.0004","7.5432","0.0006","8.1787","0.0007","85.235","0.002","78.091","0.002","77.544","0.002","274.21","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-Hydroxyethylammonium iodide","","- C2 H8 I N O -","- C2 H8 I N O -","- C4 H16 I2 N2 O2 -","2","1","","Kohrt, Christina; Spannenberg, Anke; Werner, Thomas","2-Hydroxyethylammonium iodide","Acta Crystallographica Section E","2014","70","6","o628","","10.1107/S1600536814009581","","","0.71073","MoKα","","0.0152","0.0138","","","0.031","0.0323","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239521","26.331","0.0005","7.9632","0.0002","12.7085","0.0003","90","","100.006","0.001","90","","2624.17","0.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Tricaesium scandium(III) hexachloride","","- Cl6 Cs3 Sc -","- Cl6 Cs3 Sc -","- Cl48 Cs24 Sc8 -","8","1","","Ward, Matthew D.; Ibers, James A.","Cs~3~ScCl~6~","Acta Crystallographica Section E","2014","70","6","i25","","10.1107/S1600536814009799","","","0.71073","MoKα","","0.0285","0.0228","","","0.0491","0.0503","","","","","","1.332","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239522","9.2137","0.0006","23.522","0.0016","10.4842","0.0007","90","","110.284","0.001","90","","2131.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Bis(quinolin-2-ylcarbonyl)amido-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']bromido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)","","- C23 H19 Br Cu N4 O3 -","- C23 H19 Br Cu N4 O3 -","- C92 H76 Br4 Cu4 N16 O12 -","4","1","ZS2296","Faizi, Md. Serajul Haque; Sen, Pratik","[Bis(quinolin-2-ylcarbonyl)amido-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']bromido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2014","70","6","m206","m207","10.1107/S1600536814010058","","","0.71073","MoKα","","0.0435","0.0337","","","0.0779","0.0814","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239523","12.285","0.003","4.8482","0.001","15.271","0.003","90","","98","0.03","90","","900.7","0.3","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-1,4-bis[2-(pyridin-4-yl)ethynyl]benzene-κ^2^<i>N</i>:<i>N'</i>]","","- C20 H12 Cl2 Hg N2 -","- C20 H12 Cl2 Hg N2 -","- C40 H24 Cl4 Hg2 N4 -","2","0.5","","Wang, Bin; Li, Ming; Xie, Ya-bo","<i>catena</i>-Poly[[dichloridomercury(II)]-μ-1,4-bis[2-(pyridin-4-yl)ethynyl]benzene-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2014","70","6","m208","","10.1107/S1600536814010228","","","0.71073","MoKα","","0.0291","0.028","","","0.0688","0.0699","","","","","","0.915","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239524","9.8154","0.0006","10.4283","0.0009","13.4508","0.0009","90","","108.796","0.005","90","","1303.37","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Buprenorphine","(2<i>S</i>)-2-[(5<i>R</i>,6<i>R</i>,7<i>R</i>,14<i>S</i>)-9α-Cyclopropylmethyl-3-hydroxy-6-methoxy-4,5-epoxy-6,14-ethanomorphinan-7-yl]-3,3-dimethylbutan-2-ol","","- C29 H41 N O4 -","- C29 H41 N O4 -","- C58 H82 N2 O8 -","2","1","","Mazurek, Jaroslaw; Hoffmann, Marcel; Fernandez Casares, Anna; Cox, Phillip D.; Minardi, Mathew D.","Buprenorphine","Acta Crystallographica Section E","2014","70","6","o635","","10.1107/S1600536814009672","","","0.71073","MoKα","","0.0602","0.0521","","","0.137","0.1455","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239525","10.1988","0.0004","10.1988","0.0004","4.84153","0.00019","90","","90","","90","","503.59","0.03","293","2","293","2","","","","","","","","3","P 4 b m","P 4 -2ab","100","lanthanum silicon nitride","Trilanthanum hexasilicon undecanitrogen","","- La3 N11 Si6 -","- La3 N11 Si6 -","- La6 N22 Si12 -","2","0.25","RU2057","Yamane, Hisanori; Nagura, Toshiki; Miyazaki, Tomohiro","La~3~Si~6~N~11~","Acta Crystallographica Section E","2014","70","6","i23","i24","10.1107/S1600536814009234","","","0.71075","MoKα","","0.0193","0.0173","","","0.0294","0.0303","","","","","","1.201","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239526","7.3473","0.0007","9.1917","0.0008","9.7504","0.0009","64.545","0.005","70.71","0.007","69.638","0.006","544.55","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Ammonium iron(III) bis(hydrogen arsenate(V)","Poly[ammonium bis(μ-hydrogen arsenato)ferrate(III)]","","- As2 Fe H6 N O8 -","- As2 Fe H6 N O8 -","- As6 Fe3 H18 N3 O24 -","3","1.5","BR2238","Ouerfelli, Najoua; Souilem, Amira; Zid, Mohamed Faouzi; Driss, Ahmed","α-NH~4~Fe(HAsO~4~)~2~","Acta Crystallographica Section E","2014","70","6","i21","i22","10.1107/S1600536814008691","","","0.71073","MoKα","","0.0325","0.0268","","","0.0723","0.0754","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239527","5.2389","0.0003","16.1548","0.0008","14.0315","0.0007","90","","92.673","0.003","90","","1186.24","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-[4-Bromo-2-(trifluoromethoxy)phenyl]-3-methyl-1<i>H</i>-1,2,4-triazole","","- C10 H7 Br F3 N3 O -","- C10 H7 Br F3 N3 O -","- C40 H28 Br4 F12 N12 O4 -","4","1","HB7221","Sandeep, C.; Padmashali, Basavaraj; Suchetan, P. A.; Kulkarni, Rashmi S.","1-[4-Bromo-2-(trifluoromethoxy)phenyl]-3-methyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2014","70","6","o654","","10.1107/S1600536814010083","","","0.71073","MoKα","","0.0668","0.0383","","","0.1224","0.1351","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239528","7.434","0.004","7.475","0.003","16.785","0.002","90","","90","","90","","932.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Chloro-2-methylanilinium chloride monohydrate","","- C7 H11 Cl2 N O -","- C7 H11 Cl2 N O -","- C28 H44 Cl8 N4 O4 -","4","1","FJ2671","Maroua, Arbi; Lamia, Khederi; Ahmed, Hamdi; Mohamed, Rzaigui","3-Chloro-2-methylanilinium chloride monohydrate","Acta Crystallographica Section E","2014","70","6","o643","","10.1107/S1600536814009921","","","0.56087","AgKα","","0.1571","0.0547","","","0.1299","0.1628","","","","","","0.92","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239529","9.6438","0.0012","6.5322","0.001","7.929","0.003","90","","93.653","0.013","90","","498.5","0.2","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","Europium(III) chloride hexahydrate","Hexaaquadichloridoeuropium(III) chloride","","- Cl3 Eu H12 O6 -","- Cl3 Eu H12 O6 -","- Cl6 Eu2 H24 O12 -","2","0.5","WM5012","Tambornino, Frank; Bielec, Philipp; Hoch, Constantin","Redetermination of [EuCl~2~(H~2~O)~6~]Cl","Acta Crystallographica Section E","2014","70","6","i27","","10.1107/S1600536814010307","","","0.56083","AgKα","","0.018","0.015","","","0.0318","0.0323","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239530","8.8522","0.0019","9.474","0.002","23.512","0.005","90","","97.446","0.004","90","","1955.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorido(<i>N</i>,<i>N</i>-diethyl-4-{[(quinolin-2-yl)methylidene]amino-κ^2^<i>N</i>,<i>N</i>'}aniline)mercury(II)","","- C20 H21 Cl2 Hg N3 -","- C20 H21 Cl2 Hg N3 -","- C80 H84 Cl8 Hg4 N12 -","4","1","ZS2295","Faizi, Md. Serajul Haque; Hussain, Sahid","Dichlorido(<i>N</i>,<i>N</i>-diethyl-4-{[(quinolin-2-yl)methylidene]amino-κ^2^<i>N</i>,<i>N</i>'}aniline)mercury(II)","Acta Crystallographica Section E","2014","70","6","m197","","10.1107/S160053681400957X","","","0.71073","MoKα","","0.0355","0.0286","","","0.066","0.0886","","","","","","1.169","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239531","9.4904","0.0007","9.499","0.0007","7.5702","0.0005","97.056","0.006","105.096","0.006","107.54","0.005","613.06","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Y6NiI10","Hexayttrium nickel decaiodide","","- I10 Ni Y6 -","- I10 Ni Y6 -","- I10 Ni Y6 -","1","0.5","HP2066","Steinberg, Simon; Meyer, Gerd","Nickel hexayttrium decaiodide, [NiY~6~]I~10~","Acta Crystallographica Section E","2014","70","6","i26","","10.1107/S1600536814009775","","","0.71073","MoKα","","0.0399","0.0342","","","0.0866","0.091","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239532","6.7023","0.0006","8.6335","0.0008","15.872","0.0013","76.305","0.007","84.399","0.007","77.252","0.007","869.32","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-(4-nitrophenyl)acetamide","","- C19 H18 N4 O4 -","- C19 H18 N4 O4 -","- C38 H36 N8 O8 -","2","1","HG5393","Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, H. S.; Narayana, B.; Byrappa, K.","<i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-(4-nitrophenyl)acetamide","Acta Crystallographica Section E","2014","70","6","o636","o637","10.1107/S1600536814009738","","","1.54184","CuKα","","0.0497","0.0457","","","0.123","0.1292","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239533","11.2068","0.0012","11.4956","0.0012","11.7728","0.0013","86.623","0.001","70.538","0.001","65.013","0.001","1290.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Octyl (2<i>E</i>)-2-[2-(diphenylphosphanyl)benzylidene] hydrazinecarbodithioate","","- C28 H33 N2 P S2 -","- C28 H33 N2 P S2 -","- C56 H66 N4 P2 S4 -","2","1","","Asri, Izuddin; Hamid, Malai Haniti S. A.; Mirza, Aminul Huq; Ali, Mohammad Akbar; Karim, Mohammad Rezaul","Octyl (2<i>E</i>)-2-[2-(diphenylphosphanyl)benzylidene]hydrazinecarbodithioate","Acta Crystallographica Section E","2014","70","6","o633","o634","10.1107/S1600536814008459","","","0.71073","MoKα","","0.0458","0.0429","","","0.1084","0.1107","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239534","7.9263","0.0003","19.0424","0.0007","12.5861","0.0004","90","","125.77","0.002","90","","1541.35","0.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(1-methylpiperazine-1,4-diium) di-μ-bromido-bis[tetrabromidobismuthate(III)] dihydrate","","- C10 H32 Bi2 Br10 N4 O2 -","- C10 H32 Bi2 Br10 N4 O2 -","- C20 H64 Bi4 Br20 N8 O4 -","2","0.5","HB7225","Essid, Manel; Roisnel, Thierry; Marouani, Houda","Bis(1-methylpiperazine-1,4-diium) di-μ-bromido-bis[tetrabromidobismuthate(III)] dihydrate","Acta Crystallographica Section E","2014","70","6","m202","m203","10.1107/S1600536814009805","","","0.71073","MoKα","","0.0258","0.0227","","","0.0543","0.0555","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239535","10.7999","0.0013","7.7939","0.0009","17.406","0.002","90","","101.748","0.002","90","","1434.4","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Iodo-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","","- C6 H4 I N3 -","- C6 H4 I N3 -","- C48 H32 I8 N24 -","8","1","","Huang, Ping-Hsin; Wen, Yuh-Sheng; Shen, Jiun-Yi","3-Iodo-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","Acta Crystallographica Section E","2014","70","6","o650","","10.1107/S1600536814010009","","","0.71073","MoKα","","0.0176","0.0166","","","0.0397","0.0402","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239536","10.0345","0.0002","10.5208","0.0002","10.7237","0.0002","71.561","0.001","69.601","0.001","83.039","0.001","1006.56","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(1-Allyl-3-chloro-4-ethoxy-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide","","- C19 H20 Cl N3 O3 S -","- C19 H20 Cl N3 O3 S -","- C38 H40 Cl2 N6 O6 S2 -","2","1","BT6978","Chicha, Hakima; Rakib, El Mostapha; Bouissane, Latifa; Saadi, Mohamed; El Ammari, Lahcen","<i>N</i>-(1-Allyl-3-chloro-4-ethoxy-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","6","o653","","10.1107/S1600536814010253","","","0.71073","MoKα","","0.0499","0.0407","","","0.1185","0.1264","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239537","8.9894","0.0008","5.7373","0.0003","22.5855","0.0018","90","","111.348","0.004","90","","1084.92","0.14","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-[(2-Carboxyphenyl)sulfanyl]pyridine <i>N</i>-oxide","2-[(1-Oxidopyridin-4-yl)sulfanyl]benzoic acid","","- C12 H9 N O3 S -","- C12 H9 N O3 S -","- C48 H36 N4 O12 S4 -","4","1","LH5700","Moreno-Fuquen, Rodolfo; Valencia, Leidy; Ellena, Javier","2-[(1-Oxidopyridin-4-yl)sulfanyl]benzoic acid","Acta Crystallographica Section E","2014","70","6","o644","","10.1107/S1600536814009854","","","0.71073","MoKα","","0.1346","0.0478","","","0.0997","0.1322","","","","","","0.962","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239538","8.4913","0.0005","8.6808","0.0005","15.3608","0.0009","92.675","0.005","96.46","0.004","114.753","0.004","1016.17","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)nickel(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","","- C12 H10 N4 Ni S2 -","- C12 H10 N4 Ni S2 -","- C36 H30 N12 Ni3 S6 -","3","1.5","FK2081","Neumann, Tristan; Jess, Inke; Näther, Christian","<i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)nickel(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","Acta Crystallographica Section E","2014","70","6","m196","","10.1107/S1600536814009611","","","0.71073","MoKα","","0.0498","0.0353","","","0.0871","0.0928","","","","","","0.978","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239539","9.005","0.002","10.889","0.003","10.341","0.003","90","","104.565","0.007","90","","981.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(Prop-2-ynyl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C11 H9 N O S -","- C11 H9 N O S -","- C44 H36 N4 O4 S4 -","4","1","IM2453","Sebbar, Nada Kheira; Zerzouf, Abdelfettah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","4-(Prop-2-ynyl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2014","70","6","o641","","10.1107/S160053681400943X","","","0.71073","MoKα","","0.0375","0.0332","","","0.0931","0.0971","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239540","11.1652","0.001","11.4205","0.0009","14.854","0.0011","90","","111.763","0.002","90","","1759.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methoxy-4-(2-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","GG2137","Vishnupriya, R.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","2-Methoxy-4-(2-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","6","o656","","10.1107/S1600536814010332","","","0.71073","MoKα","","0.0822","0.05","","","0.1173","0.1366","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239541","9.069","0.007","9.772","0.007","10.15","0.007","80.32","0.011","63.737","0.01","78.591","0.012","787.4","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2,3-Diphenyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thiazin-4-one","","- C19 H14 N2 O S -","- C19 H14 N2 O S -","- C38 H28 N4 O2 S2 -","2","1","ZS2297","Yennawar, Hemant P.; Singh, Harnoor; Silverberg, Lee J.","2,3-Diphenyl-2,3-dihydro-4<i>H</i>-pyrido[3,2-<i>e</i>][1,3]thiazin-4-one","Acta Crystallographica Section E","2014","70","6","o638","","10.1107/S1600536814009714","","","0.71073","MoKα","","0.0453","0.0407","","","0.1099","0.1138","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239542","7.631","0.004","12.416","0.005","12.461","0.005","107.99","0.03","101.08","0.03","94.77","0.03","1089.1","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","Diethyl 7,7'-dichloro-4-oxo-4<i>H</i>-[1,4'-biquinoline]-3,3'-dicarboxylate","","- C24 H18 Cl2 N2 O5 -","- C24 H18 Cl2 N2 O5 -","- C48 H36 Cl4 N4 O10 -","2","1","","Ishikawa, Yoshinobu; Sugisawa, Yasuhiro","Diethyl 7,7'-dichloro-4-oxo-4<i>H</i>-[1,4'-biquinoline]-3,3'-dicarboxylate","Acta Crystallographica Section E","2014","70","6","o655","","10.1107/S1600536814010320","","","0.71069","MoKα","","","0.0599","","","","0.1863","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239543","6.6085","0.0012","12.649","0.003","18.757","0.004","90","","99.601","0.002","90","","1546","0.6","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[(<i>Z</i>)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2<i>H</i>-1,2-benzothiazin-4-ylidene]acetic acid","","- C17 H12 F3 N O4 S -","- C17 H12 F3 N O4 S -","- C68 H48 F12 N4 O16 S4 -","4","1","","Parveen, Shagufta; Hussain, Saghir; Zhu, Shaojuan; Hao, Xin; Zhu, Changjin","2-[(<i>Z</i>)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2<i>H</i>-1,2-benzothiazin-4-ylidene]acetic acid","Acta Crystallographica Section E","2014","70","6","o627","","10.1107/S1600536814008903","","","0.71073","MoKα","","0.0598","0.0485","","","0.1213","0.1297","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239544","10.367","0.002","11.054","0.001","13.167","0.002","90","","112.45","0.02","90","","1394.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Azaniumyl-2,2,6,6-tetramethylpiperidin-1-ium dinitrate","","- C9 H22 N4 O6 -","- C9 H22 N4 O6 -","- C36 H88 N16 O24 -","4","1","NC2324","Chebbi, Hammouda; Ben Smail, Ridha; Zid, Mohamed Faouzi","4-Azaniumyl-2,2,6,6-tetramethylpiperidin-1-ium dinitrate","Acta Crystallographica Section E","2014","70","6","o642","","10.1107/S1600536814009787","","","0.71073","MoKα","","0.0694","0.0439","","","0.1063","0.1211","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239545","8.36521","0.00009","14.13395","0.00014","26.9223","0.0003","90","","90","","90","","3183.12","0.06","223","","223","","","","","","","","","4","P b c a","-P 2ac 2ab","61","3DBNS","<i>N</i>,<i>N</i>'-(Propane-1,3-diyl)dibenzothioamide","","- C17 H18 N2 S2 -","- C17 H18 N2 S2 -","- C136 H144 N16 S16 -","8","1","BV2233","Nagasawa, Masayuki; Sasanuma, Yuji; Masu, Hyuma","<i>N</i>,<i>N</i>'-(Propane-1,3-diyl)dibenzothioamide","Acta Crystallographica Section E","2014","70","6","o639","","10.1107/S160053681400974X","","","1.54178","CuKα","","0.0327","0.0316","","","0.0843","0.0853","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239546","12.7912","0.0013","13.7023","0.0016","14.3811","0.0013","105.595","0.003","90.858","0.002","111.932","0.003","2233.2","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","[μ-Butane-1,4-diylbis(diphenylphosphane)-κ^2^<i>P</i>:<i>P</i>']bis{[butane-1,4-diylbis(diphenylphosphane)-κ^2^<i>P</i>,<i>P</i>']copper(I)} bis(hexafluoridophosphate) diethyl ether disolvate","","- C92 H104 Cu2 F12 O2 P8 -","- C92 H104 Cu2 F12 O2 P8 -","- C92 H104 Cu2 F12 O2 P8 -","1","0.5","IS5355","Nishikawa, Michihiro; Akiyama, Asumi; Tsubomura, Taro","[μ-Butane-1,4-diylbis(diphenylphosphane)-κ^2^<i>P</i>:<i>P</i>']bis{[butane-1,4-diylbis(diphenylphosphane)-κ^2^<i>P</i>,<i>P</i>']copper(I)} bis(hexafluoridophosphate) diethyl ether disolvate","Acta Crystallographica Section E","2014","70","6","m204","m205","10.1107/S1600536814009763","","","0.7107","MoKα","","0.0444","0.0363","","","","0.0899","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239547","10.3694","0.0011","6.9914","0.0008","12.3857","0.0013","90","","105.619","0.002","90","","864.76","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(4-Hydroxyphenyl)imidazolidine-2,4-dione","","- C9 H8 N2 O3 -","- C9 H8 N2 O3 -","- C36 H32 N8 O12 -","4","1","KQ2013","Xue, Jin-hui; Qin, Yong-qi; Zhang, Zi-feng; Qiao, Yuan-biao","5-(4-Hydroxyphenyl)imidazolidine-2,4-dione","Acta Crystallographica Section E","2014","70","6","o649","","10.1107/S1600536814010034","","","0.71073","MoKα","","0.0601","0.0351","","","0.0783","0.0905","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239548","7.4869","0.0003","19.5052","0.0008","16.8538","0.0007","90","","102.907","0.001","90","","2399.03","0.17","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichlorido(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II) dimethyl sulfoxide monosolvate monohydrate","","- C20 H32 Cl2 N2 O2 Pd S -","- C20 H32 Cl2 N2 O2 Pd S -","- C80 H128 Cl8 N8 O8 Pd4 S4 -","4","1","PJ2010","Gutiérrez-Márquez, Ricardo A.; Crisóstomo-Lucas, Carmela; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David","Dichlorido(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II) dimethyl sulfoxide monosolvate monohydrate","Acta Crystallographica Section E","2014","70","6","m200","m201","10.1107/S1600536814009453","","","0.71073","MoKα","","0.034","0.0276","","","0.0717","0.0759","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239549","9.1465","0.0003","10.0346","0.0004","16.6469","0.0006","90","","90","","90","","1527.88","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7,7-[Ethane-1,2-diylbis(oxy)]-2-[hydroxy(phenyl)methyl]bicyclo[3.3.1]nonan-3-one","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","IS5345","Li, Jian; Ma, Jia Qi; Mo, Wei Min; Shen, Zhen Lu","7,7-[Ethane-1,2-diylbis(oxy)]-2-[hydroxy(phenyl)methyl]bicyclo[3.3.1]nonan-3-one","Acta Crystallographica Section E","2014","70","6","o665","","10.1107/S1600536814009040","","","0.71073","MoKα","","0.044","0.0386","","","0.0924","0.096","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239550","14.7762","0.0008","10.94","0.0006","17.8153","0.001","90","","111.327","0.002","90","","2682.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-chlorobutanoyl)-3-(3-chlorophenyl)thiourea","","- C11 H12 Cl2 N2 O S -","- C11 H12 Cl2 N2 O S -","- C88 H96 Cl16 N16 O8 S8 -","8","2","RZ5121","Abosadiya, Hamza M.; Hasbullah, Siti Aishah; Yamin, Bohari M.; Fadzil, Adibatul H.","1-(4-Chlorobutanoyl)-3-(3-chlorophenyl)thiourea","Acta Crystallographica Section E","2014","70","6","o675","","10.1107/S1600536814009295","","","0.71073","MoKα","","0.0754","0.0575","","","0.1438","0.1623","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239551","12.3002","0.0007","13.3758","0.0007","15.5662","0.0009","90","","96.377","0.005","90","","2545.2","0.2","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diaminebis(phenolate)","2,4-Di-<i>tert</i>-butyl-6-({[2-(dimethylamino)ethyl](2-hydroxybenzyl)amino}methyl)phenol","","- C26 H40 N2 O2 -","- C26 H40 N2 O2 -","- C104 H160 N8 O8 -","4","1","BT6979","Spaleniak, Grzegorz P.; Bisz, Elwira; Białek, Marzena; Zarychta, Bartosz","2,4-Di-<i>tert</i>-butyl-6-({[2-(dimethylamino)ethyl](2-hydroxybenzyl)amino}methyl)phenol","Acta Crystallographica Section E","2014","70","6","o678","","10.1107/S1600536814010241","","","0.71073","MoKα","","0.107","0.0438","","","0.0892","0.0989","","","","","","0.778","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239552","33.765","0.005","4.4569","0.0005","19.977","0.003","90","","123.1","0.004","90","","2518.4","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2-(5-Iodo-2-oxoindolin-3-ylidene)thiosemicarbazone","2-(5-Iodo-2-oxoindolin-3-ylidene)hydrazinecarbothioamide","","- C9 H7 I N4 O S -","- C9 H7 I N4 O S -","- C72 H56 I8 N32 O8 S8 -","8","1","","Conceição Duarte de Bittencourt, Viviane; Carratu Gervini, Vanessa; Rosa de Menezes Vicenti, Juliano; Maciel Velasques, Jecika; Jussiane Zambiazi, Priscilla","2-(5-Iodo-2-oxoindolin-3-ylidene)hydrazinecarbothioamide including an unknown solvate","Acta Crystallographica Section E","2014","70","6","o666","o667","10.1107/S1600536814010782","","","0.71073","MoKα","","0.034","0.0277","","","0.0596","0.0616","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239553","7.946","0.0002","24.1545","0.0007","7.9685","0.0002","90","","100.997","0.001","90","","1501.32","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2-Fluorophenyl)-5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran","","- C16 H12 F I O2 S -","- C16 H12 F I O2 S -","- C64 H48 F4 I4 O8 S4 -","4","1","HB7228","Choi, Hong Dae; Lee, Uk","2-(2-Fluorophenyl)-5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2014","70","6","o659","","10.1107/S1600536814010459","","","0.71073","MoKα","","0.0285","0.0255","","","0.0578","0.0589","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239554","10.322","0.002","8.1678","0.0019","16.798","0.004","90","","92.111","0.004","90","","1415.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 5-methyl-7-phenyl-1,2,4-triazolo[4,3-<i>a</i>]pyrimidine-6-carboxylate","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C60 H56 N16 O8 -","4","1","SU2724","AboulWafa, Omaima M.; Farghaly, Ahmed M.; Teleb, Mohamed; Sinoussy, Khaled S.","Ethyl 5-methyl-7-phenyl-1,2,4-triazolo[4,3-<i>a</i>]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2014","70","6","o672","o673","10.1107/S1600536814010113","","","0.71075","MoKα","","0.1083","0.0764","","","0.1659","0.1824","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239555","9.2547","0.0003","19.3814","0.0006","19.4249","0.0006","90","","93.043","0.001","90","","3479.31","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Acetonitrile-κ<i>N</i>)iodidobis(triphenylphosphane-κ<i>P</i>)copper(I)","","- C38 H33 Cu I N P2 -","- C38 H33 Cu I N P2 -","- C152 H132 Cu4 I4 N4 P8 -","4","1","LH5703","Wattanakanjana, Yupa; Nimthong, Arunpatcha; Mokakul, Jedsada; Sukpornsawan, Phattarin","(Acetonitrile-κ<i>N</i>)iodidobis(triphenylphosphane-κ<i>P</i>)copper(I)","Acta Crystallographica Section E","2014","70","6","m219","","10.1107/S1600536814010940","","","0.71073","MoKα","","0.0458","0.0358","","","0.0813","0.0857","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239556","7.3627","0.0005","12.4007","0.001","14.4365","0.0012","90","","90","","90","","1318.09","0.18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-{(<i>E</i>)-[(2-Methylphenyl)iminiumyl]methyl}naphthalen-2-olate","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","HB7171","Khelifa Baghdouche, Ammar; Mosbah, Salima; Belhocine, Youghourta; Bencharif, Leïla","Zwitterionic 1-{(<i>E</i>)-[(2-methylphenyl)iminiumyl]methyl}naphthalen-2-olate","Acta Crystallographica Section E","2014","70","6","o676","","10.1107/S1600536814008794","","","0.71073","MoKα","","0.0538","0.0407","","","0.103","0.1109","","","","","","1.133","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239557","12.8657","0.0012","26.281","0.003","13.971","0.003","90","","121.875","0.01","90","","4011.6","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{Dimethyl [(phenylsulfonyl)amido]phosphato-κ^2^<i>O</i>,<i>O</i>'}bis(triphenylphosphane-κ<i>P</i>)copper(I)","","- C44 H41 Cu N O5 P3 S -","- C44 H41 Cu N O5 P3 S -","- C176 H164 Cu4 N4 O20 P12 S4 -","4","1","","Moroz, Olesia V.; Trush, Viktor A.; Sliva, Tatiana Yu.; Znovjyak, Kateryna O.; Amirkhanov, Vladimir M.","{Dimethyl [(phenylsulfonyl)amido]phosphato-κ^2^<i>O</i>,<i>O</i>'}bis(triphenylphosphane-κ<i>P</i>)copper(I)","Acta Crystallographica Section E","2014","70","6","m209","m210","10.1107/S1600536814010095","","","0.71073","MoKα","","0.1895","0.0856","","","0.1014","0.1201","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239558","15.5505","0.0006","7.8816","0.0003","16.6876","0.0007","90","","103.942","0.001","90","","1985.03","0.14","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-Formylphenyl)-4-methyl-<i>N</i>-[(4-methylphenyl)sulfonyl]benzenesulfonamide","","- C21 H19 N O5 S2 -","- C21 H19 N O5 S2 -","- C84 H76 N4 O20 S8 -","4","1","XU5787","Kim, Sung-Gon","<i>N</i>-(2-Formylphenyl)-4-methyl-<i>N</i>-[(4-methylphenyl)sulfonyl]benzenesulfonamide","Acta Crystallographica Section E","2014","70","6","o660","","10.1107/S1600536814010666","","","0.71073","MoKα","","0.0953","0.0494","","","0.1119","0.1734","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239559","7.2416","0.0005","14.6215","0.001","12.9562","0.0009","90","","105.423","0.002","90","","1322.44","0.16","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')dichloridopalladium(II) 1,4-dioxane hemisolvate","","- C12 H12 Cl2 N2 O Pd -","- C12 H12 Cl2 N2 O Pd -","- C48 H48 Cl8 N8 O4 Pd4 -","4","1","","Gutiérrez Márquez, Ricardo Alfredo; Crisóstomo-Lucas, Carmela; Morales-Morales, David; Hernández-Ortega, Simón","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')dichloridopalladium(II) 1,4-dioxane hemisolvate","Acta Crystallographica Section E","2014","70","6","m218","","10.1107/S1600536814009507","","","0.71073","MoKα","","0.0685","0.0512","","","0.1365","0.1532","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239560","13.3528","0.0003","15.0683","0.0004","15.0721","0.0003","78.857","0.001","66.385","0.001","63.82","0.001","2493.06","0.1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Chlorido{2-[(dimethylamino)methyl]benzeneselenolato-\ κ^2^<i>N</i>,<i>Se</i>}(triphenylphosphane-κ<i>P</i>)palladium(II)","","- C27 H27 Cl N P Pd Se -","- C27 H27 Cl N P Pd Se -","- C108 H108 Cl4 N4 P4 Pd4 Se4 -","4","2","NK2221","Takaluoma, Esther M.; Oilunkaniemi, Raija; Laitinen, Risto S.","Chlorido{2-[(dimethylamino)methyl]benzeneselenolato-κ^2^<i>N</i>,<i>Se</i>}(triphenylphosphane-κ<i>P</i>)palladium(II)","Acta Crystallographica Section E","2014","70","6","m215","","10.1107/S1600536814010678","","","0.71073","MoKα","","0.0568","0.0313","","","0.0531","0.0584","","","","","","0.987","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239561","6.7744","0.0001","17.2209","0.0004","19.1592","0.0005","90","","90","","90","","2235.14","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-Deacetoxy-1-oxocaesalmin","1-Deacetoxy-1-oxocaesalmin","","- C24 H30 O7 -","- C24 H30 O7 -","- C96 H120 O28 -","4","1","ZS2299","Feng, Juan; Zhang, Jian-Long; Zhang, Rong-Rong; Ruan, Li-Jun; Jiang, Ren-Wang","1-Deacetoxy-1-oxocaesalmin","Acta Crystallographica Section E","2014","70","6","o662","","10.1107/S1600536814011040","","","1.54184","CuKα","","0.0381","0.0342","","","0.0835","0.0873","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239562","7.5429","0.0004","8.18","0.0005","14.8434","0.0008","75.299","0.005","82.8","0.005","78.873","0.005","866.4","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(sulfamerazinate)","Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis[(4-aminophenylsulfonyl)(4-methylpyrimidin-2-yl)azanide]","","- C26 H42 Cu N12 O6 S2 -","- C26 H42 Cu N12 O6 S2 -","- C26 H42 Cu N12 O6 S2 -","1","0.5","NC2325","Direm, Amani; Falek, Wahiba; Pilet, Guillaume; Benali-Cherif, Nourredine","Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(sulfamerazinate)","Acta Crystallographica Section E","2014","70","6","m222","m223","10.1107/S160053681401068X","","","0.71069","MoKα","","0.048","0.0374","","","0.1414","0.0968","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239563","11.0023","0.0003","10.6435","0.0003","11.3393","0.0003","90","","92.481","0.003","90","","1326.62","0.06","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","Flunarizinium isonicotinate","4-[Bis(4-fluorophenyl)methyl]-1-[(2<i>E</i>)-3-phenylprop-2-en-1-yl]piperazin-1-ium pyridine-4-carboxylate","","- C32 H31 F2 N3 O2 -","- C32 H31 F2 N3 O2 -","- C64 H62 F4 N6 O4 -","2","1","LH5702","Kavitha, Channappa N.; Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, H. S.","Flunarizinium isonicotinate","Acta Crystallographica Section E","2014","70","6","o681","o682","10.1107/S1600536814010423","","","1.54184","CuKα","","0.0417","0.0399","","","0.1072","0.1098","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239564","7.813","0.0003","25.6453","0.001","7.9162","0.0004","90","","90","","90","","1586.14","0.12","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Barium gallium oxynitride","Tetrabarium gallium trinitride oxide","","- Ba4 Ga N3 O -","- Ba4 Ga N3 O -","- Ba32 Ga8 N24 O8 -","8","1","HP2067","Hashimoto, Takayuki; Yamane, Hisanori","Ba~4~GaN~3~O","Acta Crystallographica Section E","2014","70","6","i28","","10.1107/S1600536814010472","","","0.71075","MoKα","","0.0476","0.0425","","","0.0959","0.099","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239565","12.5079","0.0003","5.5728","0.0001","25.3761","0.0006","90","","96.848","0.0011","90","","1756.2","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-4-(4-Bromophenyl)-2-{2-[(1<i>E</i>)-cyclopentylidene]hydrazin-1-ylidene}-3-phenyl-2,3-dihydro-1,3-thiazole","","- C20 H18 Br N3 S -","- C20 H18 Br1.0002 N3 S -","- C80 H72 Br4.0008 N12 S4 -","4","1","QM2107","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","(2<i>E</i>)-4-(4-Bromophenyl)-2-{2-[(1<i>E</i>)-cyclopentylidene]hydrazin-1-ylidene}-3-phenyl-2,3-dihydro-1,3-thiazole","Acta Crystallographica Section E","2014","70","6","o669","","10.1107/S1600536814010897","","","1.54178","CuKα","","0.0371","0.0298","","","0.0679","0.0715","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239566","16.7237","0.0009","7.7455","0.0004","10.1868","0.0005","90","","93.557","0.002","90","","1316.99","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-3-Bromo-5-chloro-2-hydroxybenzylidene]furan-2-carbohydrazide","","- C12 H8 Br Cl N2 O3 -","- C12 H8 Br Cl N2 O3 -","- C48 H32 Br4 Cl4 N8 O12 -","4","1","BT6980","Sundar, A.; Ranjith, S.; Rajagopal, G.","<i>N</i>'-[(<i>E</i>)-3-Bromo-5-chloro-2-hydroxybenzylidene]furan-2-carbohydrazide","Acta Crystallographica Section E","2014","70","6","o670","","10.1107/S160053681401085X","","","0.71073","MoKα","","0.0645","0.0339","","","0.0749","0.0849","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239567","8.5296","0.0009","8.6165","0.0009","12.9821","0.0014","91.81","0.006","102.566","0.005","100.514","0.005","913.1","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(3-Chloro-4-ethoxy-1-methyl-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide","","- C17 H18 Cl N3 O4 S -","- C17 H18 Cl N3 O4 S -","- C34 H36 Cl2 N6 O8 S2 -","2","1","RZ5125","Chicha, Hakima; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen","<i>N</i>-(3-Chloro-4-ethoxy-1-methyl-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2014","70","6","o679","","10.1107/S1600536814010800","","","0.71073","MoKα","","0.0497","0.0441","","","0.1226","0.1282","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239568","12.523","0.003","10.699","0.003","18.93","0.005","90","","102.291","0.006","90","","2478.2","1.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Phenyl-5,6,7,8-tetrahydroimidazo[2,1-<i>b</i>][1,3]benzothiazole","","- C15 H14 N2 S -","- C15 H14 N2 S -","- C120 H112 N16 S8 -","8","2","RK2428","Bunev, Alexander S.; Sukhonosova, Elena V.; Purygin, Petr P.; Ostapenko, Gennady I.; Khrustalev, Victor N.","2-Phenyl-5,6,7,8-tetrahydroimidazo[2,1-<i>b</i>][1,3]benzothiazole","Acta Crystallographica Section E","2014","70","6","o668","","10.1107/S1600536814010885","","","0.71073","MoKα","","0.1849","0.065","","","0.112","0.1567","","","","","","0.931","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239569","22.46","0.05","6.773","0.014","19.28","0.04","90","","102.22","0.06","90","","2866","11","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-Chloro-2-benzoylaniline thiosemicarbazone","2-Benzoyl-4-chloroaniline thiosemicarbazone","","- C14 H13 Cl N4 S -","- C14 H13 Cl N4 S -","- C112 H104 Cl8 N32 S8 -","8","1","BX2459","Bandeira, Katlen C. T.; Bresolin, Leandro; Lehmann, Ueslei Z.; Zambiazi, Priscilla J.; de Oliveira, Adriano Bof","2-Benzoyl-4-chloroaniline thiosemicarbazone","Acta Crystallographica Section E","2014","70","6","o680","","10.1107/S1600536814011027","","","0.71073","MoKα","","0.0552","0.0444","","","0.1087","0.1154","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239570","9.3789","0.0015","12.2809","0.0018","12.936","0.002","63.995","0.004","68.803","0.004","69.887","0.004","1217.6","0.3","200","2","200.15","","","","","","","","","3","P -1","-P 1","2","","9-Allyl-9<i>H</i>-fluoren-9-ol","","- C16 H14 O -","- C16 H14 O -","- C64 H56 O4 -","4","2","CV5454","Knight, Kyle S.; Wood, Harvey B.","9-Allyl-9<i>H</i>-fluoren-9-ol","Acta Crystallographica Section E","2014","70","6","o677","","10.1107/S1600536814010290","","","0.71073","MoKα","","0.0423","0.037","","","0.0992","0.1045","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239571","25.6891","0.0009","7.28","0.0002","21.6485","0.0006","90","","114.865","0.001","90","","3673.33","0.19","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Aminoacridin-10-ium 4-aminobenzoate dihydrate","","- C20 H21 N3 O4 -","- C20 H21 N3 O4 -","- C160 H168 N24 O32 -","8","2","IS5353","Dhanabalan, Nallathambi; Thanigaimani, Kaliyaperumal; Arshad, Suhana; Razak, Ibrahim Abdul; Santhanaraj, K. Joseph","9-Aminoacridin-10-ium 4-aminobenzoate dihydrate","Acta Crystallographica Section E","2014","70","6","o657","o658","10.1107/S160053681401023X","","","0.71073","MoKα","","0.0815","0.0524","","","0.115","0.1277","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239572","8.4939","0.0003","12.5451","0.0006","14.6717","0.0006","81.662","0.002","75.613","0.001","79.442","0.001","1480.56","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis{μ-<i>N</i>-[(<i>E</i>)-4-benzyloxy-2-oxidobenzylidene]-4-nitrobenzenecarbohydrazidato}bis[diaquanickel(II)] dimethylformamide tetrasolvate","","- C54 H66 N10 Ni2 O18 -","- C54 H66 N10 Ni2 O18 -","- C54 H66 N10 Ni2 O18 -","1","0.5","FJ2672","Joseph, Bibitha; Sithambaresan, M.; Kurup, M. R. Prathapachandra; Ng, Seik Weng","Bis{μ-<i>N</i>-[(<i>E</i>)-4-benzyloxy-2-oxidobenzylidene]-4-nitrobenzenecarbohydrazidato}bis[diaquanickel(II)] dimethylformamide tetrasolvate","Acta Crystallographica Section E","2014","70","6","m211","m212","10.1107/S1600536814010150","","","0.71073","MoKα","","0.0748","0.0481","","","0.1197","0.1381","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239573","9.0635","0.0004","6.3973","0.0003","13.9872","0.0007","90","","104.241","0.005","90","","786.08","0.07","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-Cyclohexyl-6,7-dimethoxy-1,4-dihydronaphthalene","","- C18 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","XU5788","Chen, Shao-Yuan; Zhang, Ya-Ping; Huang, Bing; Yu, Jia-Jun; Shi, Wei-Yong","1-Cyclohexyl-6,7-dimethoxy-1,4-dihydronaphthalene","Acta Crystallographica Section E","2014","70","6","o671","","10.1107/S1600536814010204","","","1.5418","CuKα","","0.0475","0.0386","","","0.1041","0.1137","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239574","19.2484","0.0005","5.29088","0.00012","20.1825","0.0006","90","","92.497","0.003","90","","2053.45","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>tert</i>-Butyl <i>N</i>-[2-(<i>N</i>-isobutyl-4-methoxybenzenesulfonamido)ethyl]carbamat","","- C18 H30 N2 O5 S -","- C18 H30 N2 O5 S -","- C72 H120 N8 O20 S4 -","4","1","","Bai, Xiao-Guang; Wang, Ju-Xian","<i>tert</i>-Butyl <i>N</i>-[2-(<i>N</i>-isobutyl-4-methoxybenzenesulfonamido)ethyl]carbamate","Acta Crystallographica Section E","2014","70","6","o674","","10.1107/S1600536814009143","","","1.54184","CuKα","","0.042","0.0337","","","0.0818","0.089","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239575","13.558","0.004","49.646","0.014","8.058","0.002","90","","90","","90","","5424","3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(cyclohexylammonium) tetrachloridodiphenylstannate(IV)","","- C24 H38 Cl4 N2 Sn -","- C24 H38 Cl4 N2 Sn -","- C192 H304 Cl32 N16 Sn8 -","8","0.5","WM5023","Sarr, Modou; Merkens, Carina; Diassé-Sarr, Aminata; Diop, Libasse; Englert, Ulli","Bis(cyclohexylammonium) tetrachloridodiphenylstannate(IV)","Acta Crystallographica Section E","2014","70","6","m220","m221","10.1107/S160053681401109X","","","0.71073","MoKα","","0.0469","0.0433","","","0.0979","0.0996","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239576","12.7422","0.0003","22.2773","0.0003","11.1761","0.0003","90","","114.014","0.003","90","","2897.88","0.13","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Pyrimethaminium 2-{[4-(trifluoromethyl)phenyl]sulfanyl}benzoate dimethyl sulfoxide monosolvate","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2-{[4-(trifluoromethyl)phenyl]sulfanyl}benzoate dimethyl sulfoxide monosolvate","","- C28 H28 Cl F3 N4 O3 S2 -","- C28 H28 Cl F3 N4 O3 S2 -","- C112 H112 Cl4 F12 N16 O12 S8 -","4","1","HB7223","Yamuna, Thammarse S.; Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, H.S.","Pyrimethaminium 2-{[4-(trifluoromethyl)phenyl]sulfanyl}benzoate dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2014","70","6","o683","o684","10.1107/S1600536814010411","","","1.54184","CuKα","","0.0542","0.0486","","","0.1318","0.1382","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239577","12.95","0.003","21.903","0.006","19.915","0.005","90","","103.201","0.004","90","","5499","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(<i>N</i>,<i>N</i>'-Diethylthiourea-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I) acetate methanol monosolvate","","- C62 H64 Ag N2 O3 P3 S -","- C62 H64 Ag N2 O3 P3 S -","- C248 H256 Ag4 N8 O12 P12 S4 -","4","1","LH5701","Wattanakanjana, Yupa; Nimthong, Arunpatcha; Kamrod, Chanakan","(<i>N</i>,<i>N</i>'-Diethylthiourea-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I) acetate methanol monosolvate","Acta Crystallographica Section E","2014","70","6","m216","m217","10.1107/S1600536814010824","","","0.71073","MoKα","","0.1066","0.0531","","","0.1016","0.1201","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239578","18.2973","0.0006","7.02041","0.00014","20.1554","0.0006","90","","104.601","0.003","90","","2505.44","0.13","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","1-[Bis(4-fluorophenyl)methyl]-4-[(2<i>Z</i>)-3-phenylprop-2-en-1-yl]piperazine-1,4-diium dichloride monohydrate","1-[Bis(4-fluorophenyl)methyl]-4-[(2<i>Z</i>)-3-phenylprop-2-en-1-yl]piperazine-1,4-diium dichloride hemihydrate","","- C26 H29 Cl2 F2 N2 O0.5 -","- C26 H29 Cl2 F2 N2 O0.5 -","- C104 H116 Cl8 F8 N8 O2 -","4","1","SJ5400","Shivaprakash, S.; Chandrasekara Reddy, G.; Jasinski, Jerry P.","1-[Bis(4-fluorophenyl)methyl]-4-[(2<i>Z</i>)-3-phenylprop-2-en-1-yl]piperazine-1,4-diium dichloride hemihydrate","Acta Crystallographica Section E","2014","70","6","o694","o695","10.1107/S1600536814011064","","","0.71073","MoKα","","0.0774","0.0568","","","0.1406","0.1533","","","","","","1.086","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2239579","8.7717","0.0013","8.8631","0.0013","12.3184","0.0016","88.283","0.009","82.302","0.009","60.895","0.008","828.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2<i>Z</i>)-2-Benzylidene-4-<i>n</i>-utyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","TK5313","Sebbar, Nada Kheira; El Fal, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","(2<i>Z</i>)-2-Benzylidene-4-<i>n</i>-butyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","Acta Crystallographica Section E","2014","70","6","o686","","10.1107/S160053681401054X","","","0.71073","MoKα","","0.063","0.0437","","","0.1152","0.1285","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239580","10.0219","0.0012","9.7818","0.0011","9.9945","0.0012","90","","107.438","0.0014","90","","934.76","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bromophenyl enone","3-(4-Bromophenyl)cyclopent-2-en-1-one","","- C11 H9 Br O -","- C11 H9 Br O -","- C44 H36 Br4 O4 -","4","1","MW2122","Shurdha, Endrit; Dees, Kelsey; Miller, Hannah A.; Iacono, Scott T.; Balaich, Gary J.","3-(4-Bromophenyl)cyclopent-2-en-1-one","Acta Crystallographica Section E","2014","70","6","o692","o693","10.1107/S160053681401071X","","","0.71073","MoKα","","0.0346","0.0247","","","0.0532","0.0573","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239581","11.2925","0.0004","9.5672","0.0003","14.056","0.0006","90","","94.625","0.002","90","","1513.63","0.1","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4,6-Trinitrophenyl 3-bromobenzoate","","","- C13 H6 Br N3 O8 -","- C13 H6 Br N3 O8 -","- C52 H24 Br4 N12 O32 -","4","1","FK2082","Moreno-Fuquen, Rodolfo; Mosquera, Fabricio; Ellena, Javier; Tenorio, Juan C.","2,4,6-Trinitrophenyl 3-bromobenzoate","Acta Crystallographica Section E","2014","70","6","o689","","10.1107/S1600536814010952","","","0.71073","MoKα","","0.0409","0.0305","","","0.0762","0.0809","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239582","11.5625","0.0007","12.5552","0.0008","13.7686","0.0009","82.559","0.001","76.515","0.001","89.897","0.001","1926.5","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Bis(μ~2~-diphenylphosphinamide-κ^2^<i>O</i>:<i>O</i>)bis[bis(diphenylphosphinamide-κ<i>O</i>)lithium] dichloride acetonitrile disolvate","","- C76 H78 Cl2 Li2 N8 O6 P6 -","- C76 H78 Cl2 Li2 N8 O6 P6 -","- C76 H78 Cl2 Li2 N8 O6 P6 -","1","0.5","","Li, Ai-Hong; Han, Jun-Ping; Li, Jing","Bis(μ~2~-diphenylphosphinamide-κ^2^<i>O</i>:<i>O</i>)bis[bis(diphenylphosphinamide-κ<i>O</i>)lithium] dichloride acetonitrile disolvate","Acta Crystallographica Section E","2014","70","6","m224","","10.1107/S1600536814011076","","","0.71073","MoKα","","0.052","0.0351","","","0.0834","0.0931","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239583","13.0859","0.0017","11.8258","0.0016","27.504","0.004","90","","98.93","0.002","90","","4204.7","1","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1,1-Tris(dimethylamino)-2-[tris(dimethylamino)phosphoranylidene]diphosphinium tetraphenylborate tetrahydrofuran monosolvate","","- C40 H64 B N6 O P3 -","- C40 H64 B N6 O P3 -","- C160 H256 B4 N24 O4 P12 -","4","1","LH5704","Ellis, Bobby D.; Morasset, Erica V.; Macdonald, Charles L. B.","1,1,1-Tris(dimethylamino)-2-[tris(dimethylamino)phosphoranylidene]diphosphinium tetraphenylborate tetrahydrofuran monosolvate","Acta Crystallographica Section E","2014","70","6","o691","","10.1107/S1600536814011258","","","0.71073","MoKα","","0.1241","0.062","","","0.1278","0.154","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239584","8.76","0.005","13.327","0.005","13.387","0.005","107.774","0.005","109.045","0.005","99.504","0.005","1344.6","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis[tris(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)] diaquabis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) hexabromide dihydrate","","- C24 H88 Br6 N16 Ni3 O4 -","- C24 H88 Br6 N16 Ni3 O4 -","- C24 H88 Br6 N16 Ni3 O4 -","1","0.5","RK2424","Yangui, Aymen; Rekik, Walid; Elleuch, Slim; Abid, Younes","Bis[tris(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)] diaquabis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) hexabromide dihydrate","Acta Crystallographica Section E","2014","70","6","m227","m228","10.1107/S1600536814011052","","","0.71073","MoKα","","0.0915","0.0382","","","0.0712","0.084","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239585","10.9154","0.0004","19.2514","0.0006","20.1826","0.0007","90","","91.008","0.002","90","","4240.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(tetraphenylphosphonium) tetrachlorocobaltate(II)","Bis(tetraphenylphosphonium) tetrachloridocobaltate(II)","","- C48 H40 Cl4 Co P2 -","- C48 H40 Cl4 Co P2 -","- C192 H160 Cl16 Co4 P8 -","4","0.5","XU5791","Ouahida, Zeghouan; Hadjadj, Nasreddine; Guenifa, Fatiha; Bendjeddou, Lamia; Merazig, Hocine","Bis(tetraphenylphosphonium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2014","70","6","m229","m230","10.1107/S1600536814011210","","","0.71073","MoKα","","0.0391","0.0302","","","","0.0836","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239586","5.3899","0.0004","8.3705","0.0005","13.7369","0.0008","91.209","0.002","96.417","0.002","92.731","0.002","614.96","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","1-(4-Bromophenyl)-3-(3-chloropropanoyl)thiourea","","- C10 H10 Br Cl N2 O S -","- C10 H10 Br Cl N2 O S -","- C20 H20 Br2 Cl2 N4 O2 S2 -","2","1","RK2427","Abosadiya, Hamza M.; Hasbullah, Siti Aishah; Yamin, Bohari M.; Fadzil, Adibatul H.","1-(4-Bromophenyl)-3-(3-chloropropanoyl)thiourea","Acta Crystallographica Section E","2014","70","6","o685","","10.1107/S1600536814011209","","","0.71073","MoKα","","0.0534","0.0427","","","0.0996","0.1106","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239587","24.7777","0.0005","8.35654","0.00016","25.0089","0.0006","90","","113.878","0.003","90","","4735","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,6-Lutidinium dihydrogendecavanadate dihydrate","Tetrakis(2,6-dimethylpyridinium) dihydrogen decavanadate dihydrate","","- C28 H46 N4 O30 V10 -","- C28 H46 N4 O30 V10 -","- C112 H184 N16 O120 V40 -","4","0.5","","Rakovský, Erik; Krivosudský, Lukáš","Tetrakis(2,6-dimethylpyridinium) dihydrogen decavanadate dihydrate","Acta Crystallographica Section E","2014","70","6","m225","m226","10.1107/S1600536814011118","","","0.71073","MoKα","","0.0382","0.0307","","","0.0796","0.084","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239588","8.8562","0.0002","10.3095","0.0002","11.1248","0.0002","91.147","0.001","113.425","0.001","98.036","0.001","919.66","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5-Cyclohexyl-2-methyl-3-(3-methylphenylsulfinyl)-1-benzofuran","","- C22 H24 O2 S -","- C22 H24 O2 S -","- C44 H48 O4 S2 -","2","1","LD2128","Choi, Hong Dae; Lee, Uk","5-Cyclohexyl-2-methyl-3-(3-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","6","o690","","10.1107/S1600536814011192","","","0.71073","MoKα","","0.0503","0.043","","","0.1082","0.1129","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239589","8.2629","0.0005","33.093","0.003","10.0877","0.0006","90","","90","","90","","2758.4","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-Bis(3-<i>tert</i>-butyl-2-hydroxy-5-methoxybenzyl)hexahydropyrimidin-5-ol monohydrate","","- C28 H44 N2 O6 -","- C28 H44 N2 O6 -","- C112 H176 N8 O24 -","4","0.5","","Rivera, Augusto; Miranda-Carvajal, Ingrid; Osorio, Héctor Jairo; Ríos-Motta, Jaime; Bolte, Michael","1,3-Bis(3-<i>tert</i>-butyl-2-hydroxy-5-methoxybenzyl)hexahydropyrimidin-5-ol monohydrate","Acta Crystallographica Section E","2014","70","6","o687","o688","10.1107/S1600536814010769","","","0.71073","MoKα","","0.0806","0.0748","","","0.1374","0.1403","","","","","","1.173","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239590","9.5018","0.0002","14.8695","0.0002","17.6757","0.0003","113.638","0.001","102.188","0.001","93.127","0.001","2209.06","0.07","298","","298","","","","","","","","","3","P -1","-P 1","2","","6-(Hex-5-enyloxy)naphthalene-2-carboxylic acid","","- C17 H18 O3 -","- C17 H18 O3 -","- C102 H108 O18 -","6","3","KP2470","Rahman, Md. Lutfor; Srinivasa, H. T.; Mohd. Yusoff, Mashitah; Kwong, Huey Chong; Quah, Ching Kheng","6-(Hex-5-enyloxy)naphthalene-2-carboxylic acid","Acta Crystallographica Section E","2014","70","6","o696","o697","10.1107/S1600536814010642","","","1.54178","CuKα","","0.0497","0.0449","","","0.1424","0.1523","","","","","","1.064","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2239591","11.7103","0.0007","11.1289","0.0007","9.676","0.0007","90","","108.407","0.002","90","","1196.49","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-[3-(2-Fluorobenzoyl)thioureido]propionic acid","","- C11 H11 F N2 O3 S -","- C11 H11 F N2 O3 S -","- C44 H44 F4 N8 O12 S4 -","4","1","CV5458","Ngah, Nurziana; Mohamed, Nor Azanita; Yamin, Bohari M.; Mohd Zaki, Hamizah","3-[3-(2-Fluorobenzoyl)thioureido]propionic acid","Acta Crystallographica Section E","2014","70","6","o705","","10.1107/S1600536814011404","","","0.71073","MoKα","","0.0557","0.0432","","","0.1093","0.1337","","","","","","1.134","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239592","9.472","0.002","8.8083","0.0019","12.335","0.003","90","","111.459","0.004","90","","957.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,3,5,6-Tetrafluoro-1,4-bis({[(5-methylthiophen-2-yl)methylidene]amino}methyl)benzene","","- C20 H16 F4 N2 S2 -","- C20 H16 F4 N2 S2 -","- C40 H32 F8 N4 S4 -","2","1","BH2498","Luo, Hai-Kun; Qin, Rui-Rui; He, Ming-Yang","2,3,5,6-Tetrafluoro-1,4-bis({[(5-methylthiophen-2-yl)methylidene]amino}methyl)benzene","Acta Crystallographica Section E","2014","70","6","o698","","10.1107/S1600536814011398","","","0.71073","MoKα","","0.0545","0.0478","","","0.1221","0.129","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239593","9.4373","0.0005","15.8487","0.0008","12.1414","0.0006","90","","105.122","0.001","90","","1753.09","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7,7-Dimethyl-2-methylamino-4-(4-methylphenyl)-3-nitro-7,8-dihydro-4<i>H</i>-chromen-5(6<i>H</i>)-one","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","SU2733","Inglebert, S. Antony; Kamalraja, Jayabal; Sethusankar, K.; Perumal, Paramasivam T.","7,7-Dimethyl-2-methylamino-4-(4-methylphenyl)-3-nitro-7,8-dihydro-4<i>H</i>-chromen-5(6<i>H</i>)-one","Acta Crystallographica Section E","2014","70","6","o710","o711","10.1107/S1600536814010794","","","0.71073","MoKα","","0.0519","0.0414","","","0.1176","0.1287","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239594","12.3425","0.0005","7.0365","0.0003","14.7178","0.0006","90","","94.213","0.003","90","","1274.76","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-pyrimidin-2-yl-piperazin-1-ium fumarate","4-(Pyrimidin-2-yl)piperazin-1-ium (<i>E</i>)-3-carboxyprop-2-enoate","","- C12 H16 N4 O4 -","- C12 H16 N4 O4 -","- C48 H64 N16 O16 -","4","1","SU2736","Yamuna, Thammarse S.; Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, H. S.","4-(Pyrimidin-2-yl)piperazin-1-ium (<i>E</i>)-3-carboxyprop-2-enoate","Acta Crystallographica Section E","2014","70","6","o702","o703","10.1107/S1600536814011489","","","1.54184","CuKα","","0.0466","0.04","","","0.1048","0.1108","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239595","10.3176","0.0004","14.4431","0.0006","15.4901","0.0006","90","","92.329","0.002","90","","2306.4","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Bromomethyl-4-methoxy-2-(2-nitrophenyl)-9-phenylsulfonyl-9<i>H</i>-carbazole","","- C26 H19 Br N2 O5 S -","- C26 H19 Br N2 O5 S -","- C104 H76 Br4 N8 O20 S4 -","4","1","LD2127","Gopinath, S.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","3-Bromomethyl-4-methoxy-2-(2-nitrophenyl)-9-phenylsulfonyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2014","70","6","o707","o708","10.1107/S160053681401143X","","","0.71073","MoKα","","0.1004","0.05","","","0.1387","0.1606","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239596","17.7458","0.0008","4.0629","0.0002","14.5745","0.0007","90","","107.868","0.003","90","","1000.13","0.08","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl (<i>E</i>)-3-(2-formylphenoxy)acrylate","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","SU2732","Karthikeyan, S.; Sethusankar, K.; Selvakumar, R.; Bakthadoss, M.","Methyl (<i>E</i>)-3-(2-formylphenoxy)acrylate","Acta Crystallographica Section E","2014","70","6","o709","","10.1107/S1600536814010617","","","0.71073","MoKα","","0.0584","0.0446","","","0.1374","0.1546","","","","","","1.056","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239597","10.936","0.005","8.708","0.005","13.794","0.005","90","","109.529","0.005","90","","1238","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate monohydrate","","- C11 H15 N O4 S2 -","- C11 H15 N O4 S2 -","- C44 H60 N4 O16 S8 -","4","1","","Zhang, Guo-Cui; Kong, Ming; Li, Sheng-Li","3-(2-Methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate monohydrate","Acta Crystallographica Section E","2014","70","6","o714","","10.1107/S1600536814011660","","","0.71069","MoKα","","0.0304","0.0295","","","0.0791","0.0801","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239598","9.606","0.0002","10.4572","0.0002","33.8766","0.0007","90","","90","","90","","3402.97","0.12","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1(2-Furoyl)piperazinium 3,5-dinitrobenzoate","4-(Furan-2-carbonyl)piperazin-1-ium 3,5-dinitrobenzoate","","- C16 H16 N4 O8 -","- C16 H16 N4 O8 -","- C128 H128 N32 O64 -","8","1","TK5314","Kavitha, Channappa N.; Kaur, Manpreet; Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, H.S.","4-(Furan-2-carbonyl)piperazin-1-ium 3,5-dinitrobenzoate","Acta Crystallographica Section E","2014","70","6","o700","o701","10.1107/S160053681401126X","","","1.54184","CuKα","","0.0487","0.0427","","","0.1162","0.1225","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239599","12.1369","0.0003","7.9431","0.0002","13.223","0.0004","90","","115.386","0.003","90","","1151.67","0.06","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(2-Bromo-4-chlorophenyl)-3,3-dimethylthiourea","","- C9 H10 Br Cl N2 S -","- C9 H10 Br Cl N2 S -","- C36 H40 Br4 Cl4 N8 S4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alotaibi, Mohammad Hayal; Kariuki, Benson M.","1-(2-Bromo-4-chlorophenyl)-3,3-dimethylthiourea","Acta Crystallographica Section E","2014","70","6","o704","","10.1107/S1600536814011350","","","1.5418","CuKα","","0.0304","0.0279","","","0.0752","0.0771","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239600","16.196","0.003","20.174","0.003","9.901","0.0016","90","","106.733","0.003","90","","3098.1","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(1<i>H</i>-benzimidazol-2-yl)benzene","","- C20 H14 N4 -","- C20 H14 N4 -","- C160 H112 N32 -","8","2","","Fu, Wei-Wei; Liang, Yan-Fei; Liu, Yang; Zhu, Xiao-Ming","A third polymorph of 1,4-bis(1<i>H</i>-benzimidazol-2-yl)benzene","Acta Crystallographica Section E","2014","70","6","o699","","10.1107/S1600536814011179","","","0.71073","MoKα","","0.1033","0.0533","","","0.1104","0.1263","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239601","9.4456","0.0009","5.4877","0.0003","10.0341","0.0009","90","","113.846","0.007","90","","475.71","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Dibromo-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione","","- C8 H6 Br2 O4 -","- C8 H6 Br2 O4 -","- C16 H12 Br4 O8 -","2","0.5","TK5317","Orhan, Ersin; Garci, Amine; Therrien, Bruno","2,5-Dibromo-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione","Acta Crystallographica Section E","2014","70","6","o715","","10.1107/S1600536814011787","","","0.71073","MoKα","","0.0333","0.028","","","0.0648","0.0666","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239602","11.398","0.0002","15.7819","0.0004","16.7231","0.0004","90","","104.37","0.001","90","","2914.07","0.11","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5-Chloro-2-(2-fluorophenyl)-7-methyl-3-methylsulfinyl-1-benzofuran","","- C16 H12 Cl F O2 S -","- C16 H12 Cl F O2 S -","- C128 H96 Cl8 F8 O16 S8 -","8","1","CV5456","Choi, Hong Dae; Lee, Uk","5-Chloro-2-(2-fluorophenyl)-7-methyl-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2014","70","6","o706","","10.1107/S1600536814011635","","","0.71073","MoKα","","0.0431","0.0367","","","0.0935","0.0979","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239603","12.0554","0.0003","6.3904","0.00017","19.3383","0.0004","90","","90","","90","","1489.8","0.06","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","<i>catena</i>-Poly[[lithium-μ~2~-(dihydrogen pyrazine-2,3,5,6-tetracarboxylato)-κ^6^<i>O</i>^2^,<i>N</i>^1^,<i>O</i>^6^;<i>O</i>^3^,<i>N</i>^4^,<i>O</i>^5^-lithium-di-μ-aqua-κ^4^<i>O</i>:<i>O</i>] 2.5-hydrate]","","- C8 H11 Li2 N2 O12.5 -","- C8 H11 Li2 N2 O12.5 -","- C32 H44 Li8 N8 O50 -","4","0.25","","Starosta, Wojciech; Leciejewicz, Janusz","<i>catena</i>-Poly[[lithium-μ~2~-(dihydrogen pyrazine-2,3,5,6-tetracarboxylato)-κ^6^<i>O</i>^2^,<i>N</i>^1^,<i>O</i>^6^;<i>O</i>^3^,<i>N</i>^4^,<i>O</i>^5^-lithium-di-μ-aqua-κ^4^<i>O</i>:<i>O</i>] 2.5-hydrate]","Acta Crystallographica Section E","2014","70","6","m234","m235","10.1107/S160053681401174X","","","0.71073","MoKα","","0.0477","0.0421","","","0.1172","0.122","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239604","16.2004","0.0012","11.9587","0.001","11.3601","0.0007","90","","102.547","0.002","90","","2148.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1,3-Dimethyl-2,6-diphenylpiperidin-4-one <i>O</i>-(phenoxycarbonyl)oxime","","- C26 H26 N2 O3 -","- C26 H26 N2 O3 -","- C104 H104 N8 O12 -","4","1","SU2678","Raghuvarman, B.; Sivakumar, R.; Gokula Krishnan, K.; Thanikachalam, V.; Aravindhan, S.","(<i>E</i>)-1,3-Dimethyl-2,6-diphenylpiperidin-4-one <i>O</i>-(phenoxycarbonyl)oxime","Acta Crystallographica Section E","2014","70","6","o713","","10.1107/S1600536814010526","","","0.71073","MoKα","","0.099","0.0526","","","0.1499","0.1799","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239605","12.4336","0.0008","22.9278","0.0016","13.3267","0.0009","90","","113.266","0.004","90","","3490.2","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,8-Diazabicyclo[5.4.0]undec-7-en-8-ium bromido(phthalocyaninato)zincate","","- C41 H33 Br N10 Zn -","- C41 H33 Br N10 Zn -","- C164 H132 Br4 N40 Zn4 -","4","1","FJ2673","Przybył, Bartosz; Janczak, Jan","1,8-Diazabicyclo[5.4.0]undec-7-en-8-ium bromido(phthalocyaninato)zincate","Acta Crystallographica Section E","2014","70","6","m231","m232","10.1107/S160053681401157X","","","0.71073","MoKα","","0.1124","0.0571","","","0.1286","0.1433","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239606","10.9978","0.0006","10.5081","0.0006","12.7559","0.0007","90","","108.976","0.001","90","","1394.04","0.13","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[silver(I)-μ-<i>N</i>-[(pyridin-2-yl)methyl]pyridine-3-amine-κ^2^<i>N</i>:<i>N</i>'] hexafluoridophosphate]","","- C11 H11 Ag F6 N3 P -","- C11 H11 Ag F6 N3 P -","- C44 H44 Ag4 F24 N12 P4 -","4","1","","Moon, Suk-Hee; Park, Ki-Min","<i>catena</i>-Poly[[silver(I)-μ-<i>N</i>-[(pyridin-2-yl)methyl]pyridine-3-amine-κ^2^<i>N</i>:<i>N</i>'] hexafluoridophosphate]","Acta Crystallographica Section E","2014","70","6","m233","","10.1107/S1600536814011465","","","0.71073","MoKα","","0.0304","0.027","","","0.0687","0.0713","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239607","6.2293","0.0005","21.1153","0.0017","8.5989","0.0007","90","","109.171","0.001","90","","1068.32","0.15","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Cyano-1,3-phenylene diacetate","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C44 H36 N4 O16 -","4","1","CV5455","Abbassi, Bahar; Brumfield, Michela; Jones, Lloyd M.; Nesterov, Vladimir N.; Carr, Andrew J.","5-Cyano-1,3-phenylene diacetate","Acta Crystallographica Section E","2014","70","6","o712","","10.1107/S1600536814011374","","","0.71073","MoKα","","0.035","0.0309","","","0.0883","0.0923","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239608","10.0585","0.0006","16.2371","0.0008","14.4301","0.0008","90","","98.854","0.005","90","","2328.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis{μ-[(diphenylphosphoryl)methyl](phenyl)bis(1<i>H</i>-pyrazol-1-yl)boranuido}dilithium","","- C50 H46 B2 Li2 N8 O2 P2 -","- C50 H46 B2 Li2 N8 O2 P2 -","- C100 H92 B4 Li4 N16 O4 P4 -","2","0.5","SJ5403","Müller, Manuela; Lerner, Hans-Wolfram; Bolte, Michael","Bis{μ-[(diphenylphosphoryl)methyl](phenyl)bis(1<i>H</i>-pyrazol-1-yl)boranuido}dilithium","Acta Crystallographica Section E","2014","70","6","m237","","10.1107/S1600536814011945","","","0.71073","MoKα","","0.0523","0.0408","","","0.0963","0.1008","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239609","4.61595","0.00013","17.6844","0.0004","11.7068","0.0003","90","","91.285","0.003","90","","955.39","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","{2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone","{2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone","","- C22 H18 N2 O3 S -","- C22 H18 N2 O3 S -","- C44 H36 N4 O6 S2 -","2","1","TK5318","Kaur, Manpreet; Jasinski, Jerry P.; Kavitha, Channappa N.; Yathirajan, H. S.; Byrappa, K.","{2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone","Acta Crystallographica Section E","2014","70","6","o738","o739","10.1107/S1600536814012185","","","1.54184","CuKα","","0.037","0.0346","","","0.0882","0.0898","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239610","10.8672","0.0008","14.0435","0.001","14.3584","0.001","90","","104.302","0.004","90","","2123.4","0.3","99","2","99","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[(4<i>Z</i>)-1-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene)hexyl]benzenesulfonohydrazide","","- C22 H26 N4 O3 S -","- C22 H26 N4 O3 S -","- C88 H104 N16 O12 S4 -","4","1","NR2051","Ukwueze, Nkechinyere N.; Ukoha, Pius O.; Ujam, Oguejiofo T.; Asegbeloyin, Jonnie N.; Groutso, Tania","<i>N</i>'-[(4<i>Z</i>)-1-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-4-ylidene)hexyl]benzenesulfonohydrazide","Acta Crystallographica Section E","2014","70","6","o730","o731","10.1107/S1600536814012045","","","0.71073","MoKα","","0.05","0.0413","","","0.1151","0.1221","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239611","5.7677","0.0005","7.7233","0.0008","12.7269","0.0012","84.104","0.008","77.719","0.008","73.358","0.009","530.22","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-[(<i>E</i>)-(4-Hydroxybenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C10 H10 N4 O S -","- C10 H10 N4 O S -","- C20 H20 N8 O2 S2 -","2","1","SJ5405","Sarojini, Balladka K.; Manjula, Padmanabha S.; Narayana, B.; Jasinski, Jerry P.","4-[(<i>E</i>)-(4-Hydroxybenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2014","70","6","o733","o734","10.1107/S1600536814012215","","","1.54184","CuKα","","0.063","0.054","","","0.1407","0.1511","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239612","7.5475","0.0019","8.054","0.002","8.932","0.002","73.347","0.004","70.067","0.004","66.559","0.004","461.07","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(nicotinamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>S</i>)cobalt(II)","","- C14 H16 Co N6 O4 S2 -","- C14 H16 Co N6 O4 S2 -","- C14 H16 Co N6 O4 S2 -","1","0.5","XU5790","Pandey, Deepanjali; Narvi, Shahid S.; Chaudhuri, Siddhartha","Diaquabis(nicotinamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>S</i>)cobalt(II)","Acta Crystallographica Section E","2014","70","6","m236","","10.1107/S1600536814011453","","","0.71073","MoKα","","0.0397","0.0363","","","0.0934","0.0966","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239613","8.2346","0.0002","15.1469","0.0005","13.741","0.0004","90","","103.362","0.003","90","","1667.5","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[(3<i>RS</i>,4<i>RS</i>)-3-phenyl-4-(phenylsulfonyl)isoxazolidin-2-yl]acetate","","- C18 H19 N O5 S -","- C18 H19 N O5 S -","- C72 H76 N4 O20 S4 -","4","1","XU5792","Gültekin, Zeynep; Civan, Mehmet; Frey, Wolfgang; Hökelek, Tuncer","Methyl 2-[(3<i>RS</i>,4<i>RS</i>)-3-phenyl-4-(phenylsulfonyl)isoxazolidin-2-yl]acetate","Acta Crystallographica Section E","2014","70","6","o728","o729","10.1107/S1600536814012161","","","0.71073","MoKα","","0.0321","0.0306","","","0.0837","0.0847","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239614","12.7485","0.0005","13.6973","0.0007","17.3623","0.0009","105.786","0.004","92.858","0.004","110.436","0.003","2698.3","0.2","210","","210","","","","","","","","","6","P -1","-P 1","2","","(1,6,7,12-Tetraazaperylene-κ^2^<i>N</i>,<i>N</i>')bis(4,4',5,5'-tetramethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) bis(hexafluoridophosphate) acetonitrile trisolvate","","- C50 H49 F12 N11 P2 Ru -","- C48 H46 F12 N10 P2 Ru -","- C96 H92 F24 N20 P4 Ru2 -","2","1","TK5315","Brietzke, Thomas; Kässler, Daniel; Kelling, Alexandra; Schilde, Uwe; Holdt, Hans-Jürgen","(1,6,7,12-Tetraazaperylene-κ^2^<i>N</i>,<i>N</i>')bis(4,4',5,5'-tetramethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) bis(hexafluoridophosphate) acetonitrile trisolvate","Acta Crystallographica Section E","2014","70","6","m238","m239","10.1107/S1600536814011969","","","0.71073","MoKα","","0.0681","0.0471","","","0.1169","0.1242","","","","","","0.936","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239615","6.6843","0.0007","11.5971","0.0012","20.131","0.002","90","","90","0.004","90","","1560.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-acetylpiperazinium picrate","4-Acetylpiperazin-1-ium 2,4,6-trinitrophenolate","","- C12 H15 N5 O8 -","- C12 H15 N5 O8 -","- C48 H60 N20 O32 -","4","1","ZS2300","Kavitha, Channappa N.; Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, Hemmige S.","4-Acetylpiperazinium picrate","Acta Crystallographica Section E","2014","70","6","o717","o718","10.1107/S1600536814011726","","","1.54184","CuKα","","0.0494","0.0449","","","0.1215","0.1257","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239616","15.922","0.003","8.0335","0.0016","18.655","0.004","90","","90","","90","","2386.1","0.8","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethyl (<i>E</i>)-2,3-bis[(<i>E</i>)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]but-2-enedioate","","- C24 H28 N4 O4 -","- C24 H28 N4 O4 -","- C96 H112 N16 O16 -","4","0.5","","Liu, Peng; Yuan, Libin; Song, Xiuqing; Yan, Hong","Diethyl (<i>E</i>)-2,3-bis[(<i>E</i>)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]but-2-enedioate","Acta Crystallographica Section E","2014","70","6","o723","","10.1107/S1600536814011970","","","0.71073","MoKα","","0.0411","0.0377","","","0.0961","0.0989","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239617","7.4253","0.0004","8.7713","0.0004","20.7093","0.0011","96.238","0.004","94.4","0.005","100.177","0.004","1313.35","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-Ethyl-2-[1-(2-hydroxy-4-methylphenyl)ethylidene]hydrazinecarbothioamide","","- C12 H17 N3 O S -","- C12 H17 N3 O S -","- C48 H68 N12 O4 S4 -","4","2","FJ2676","Anderson, Brian J.; Hall, Jeffrey R.; Jasinski, Jerry P.","<i>N</i>-Ethyl-2-[1-(2-hydroxy-4-methylphenyl)ethylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","6","o735","","10.1107/S1600536814012203","","","0.71073","MoKα","","0.1049","0.0704","","","0.1809","0.2044","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239618","10.9336","0.001","11.5258","0.0004","11.849","0.0007","89.44","0.004","62.687","0.007","89.296","0.005","1326.61","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Fluorobenzoyl)-4-(4-fluorophenyl)-4-hydroxy-2,6-diphenylcyclohexane-1,1-dicarbonitrile","","- C33 H24 F2 N2 O2 -","- C33 H24 F2 N2 O2 -","- C66 H48 F4 N4 O4 -","2","1","SU2739","Narayana, B.; Sapnakumari, M.; Sarojini, Balladka K.; Jasinski, Jerry P.","3-(4-Fluorobenzoyl)-4-(4-fluorophenyl)-4-hydroxy-2,6-diphenylcyclohexane-1,1-dicarbonitrile","Acta Crystallographica Section E","2014","70","6","o736","o737","10.1107/S1600536814012197","","","1.54184","CuKα","","0.0561","0.0491","","","0.1289","0.1392","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239619","16.383","0.002","11.6119","0.0014","7.8213","0.0007","90","","90","","90","","1487.9","0.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(2<i>E</i>,7<i>E</i>)-2,7-Bis[(thiophen-2-yl)methylidene]cycloheptanone","","- C17 H16 O S2 -","- C17 H16 O S2 -","- C68 H64 O4 S8 -","4","0.5","ZL2588","Nithya, C.; Sithambaresan, M.; Prathapan, S.; Kurup, M. R. Prathapachandra","(2<i>E</i>,7<i>E</i>)-2,7-Bis[(thiophen-2-yl)methylidene]cycloheptanone","Acta Crystallographica Section E","2014","70","6","o722","","10.1107/S1600536814011866","","","0.71073","MoKα","","0.0666","0.049","","","0.1423","0.1616","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239620","7.0357","0.0008","10.0277","0.001","8.3112","0.0008","90","","116.149","0.008","90","","526.36","0.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-2,5-Dimethylpiperazine-1,4-diium dinitrate","","- C6 H16 N4 O6 -","- C6 H16 N4 O6 -","- C12 H32 N8 O12 -","2","0.5","BG2529","Gatfaoui, Sofian; Roisnel, Thierry; Dhaouadi, Hassouna; Marouani, Houda","<i>trans</i>-2,5-Dimethylpiperazine-1,4-diium dinitrate","Acta Crystallographica Section E","2014","70","6","o725","","10.1107/S1600536814012100","","","0.71073","MoKα","","0.0394","0.0338","","","0.0863","0.0897","","","","","","1.106","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239621","16.8982","0.0005","9.0273","0.0003","9.8405","0.0003","90","","101.552","0.003","90","","1470.71","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{[4-(Dimethylamino)benzylidene]amino}benzenesulfonamide","","- C15 H17 N3 O2 S -","- C15 H17 N3 O2 S -","- C60 H68 N12 O8 S4 -","4","1","SU2738","Durgun, Mustafa; Türkmen, Hasan; Tunç, Tuncay; Hökelek, Tuncer","4-{[4-(Dimethylamino)benzylidene]amino}benzenesulfonamide","Acta Crystallographica Section E","2014","70","6","o726","o727","10.1107/S1600536814012136","","","0.71073","MoKα","","0.0474","0.0401","","","0.1087","0.1163","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239622","7.7513","0.0003","12.9191","0.0005","9.8262","0.0003","90","","94.584","0.002","90","","980.85","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methylsulfanyl-5-phenyl-1,2,4-triazine","","- C10 H9 N3 S -","- C10 H9 N3 S -","- C40 H36 N12 S4 -","4","1","RZ5126","Hamri, Salha; Hafid, Abderrafia; Khouili, Mostafa; El Ammari, Lahcen; Ketatni, El Mostafa","3-Methylsulfanyl-5-phenyl-1,2,4-triazine","Acta Crystallographica Section E","2014","70","6","o720","","10.1107/S1600536814011830","","","0.71073","MoKα","","0.0427","0.0374","","","0.104","0.1099","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239623","26.32","0.03","7.0628","0.0015","25.305","0.016","90","","102.24","0.06","90","","4597","6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C208 H208 N16 O64 -","16","4","","Ishikawa, Yoshinobu; Yoshida, Nanako","Ethyl 8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate","Acta Crystallographica Section E","2014","70","6","o719","","10.1107/S1600536814011854","","","0.71069","MoKα","","","0.0531","","","","0.1303","","","","","","0.992","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239624","24.8699","0.0018","24.8699","0.0018","5.6603","0.0008","90","","90","","120","","3031.9","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","(3<i>Z</i>)-3-[(<i>Z</i>)-2-(2-Oxoindolin-3-ylidene)hydrazin-1-ylidene]indolin-2-one 0.17-hydrate","","- C16 H10.34 N4 O2.17 -","- C16 H10.3333 N4 O2.16667 -","- C144 H93 N36 O19.5 -","9","0.5","","Liu, Yong-Hong; Zhao, Lei; Liu, Ming-Xuan; Lin, Hai; Li, Jing-Jing","(3<i>Z</i>)-3-[(<i>Z</i>)-2-(2-Oxoindolin-3-ylidene)hydrazin-1-ylidene]indolin-2-one 0.17-hydrate","Acta Crystallographica Section E","2014","70","6","o721","","10.1107/S1600536814011805","","","0.71073","MoKα","","0.0467","0.0386","","","0.102","0.1082","","","","","","1.008","","","","has coordinates,has Fobs","203508","2020-10-21","18:00:00",""
"2239625","8.8988","0.0007","9.2993","0.0008","9.4821","0.0005","92.525","0.006","113.034","0.007","93.99","0.007","718.18","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-Ethyl-2-[1-(2-hydroxynaphthalen-1-yl)ethylidene]hydrazinecarbothioamide","","- C15 H17 N3 O S -","- C15 H17 N3 O S -","- C30 H34 N6 O2 S2 -","2","1","BT6981","Anderson, Brian J.; Shalit, Zachary A.; Jasinski, Jerry P.","<i>N</i>-Ethyl-2-[1-(2-hydroxynaphthalen-1-yl)ethylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","6","o732","","10.1107/S1600536814012057","","","1.54184","CuKα","","0.0607","0.0542","","","0.145","0.153","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239626","9.534","0.0001","9.534","0.0001","18.9803","0.0003","90","","90","","120","","1494.11","0.03","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","Tetrasodium pentadecamolybdenum nonadecasulfide","","- Mo15 Na4.25 S19 -","- Mo15 Na4.253 S19 -","- Mo30 Na8.506 S38 -","2","0.166667","RU2060","Salloum, D.; Gougeon, P.; Gall, P.","Na~4.25~Mo~15~S~19~: a novel ternary reduced molybdenum sulfide containing Mo~6~ and Mo~9~ clusters","Acta Crystallographica Section E","2014","70","6","i30","","10.1107/S160053681401201X","","","0.71069","MoKα","","0.0354","0.0304","","","0.0755","0.0787","","","","","","1.13","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239627","15.764","0.005","5.136","0.005","11.028","0.005","90","","90","","90","","892.9","1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-[(2-Hydroxyethyl)(methyl)amino]thiophene-2-carbaldehyde","","- C8 H11 N O2 S -","- C8 H11 N O2 S -","- C32 H44 N4 O8 S4 -","4","1","","Sun, Xian-Shun; Shao, Nan-Qi; Li, Dan-Dan","5-[(2-Hydroxyethyl)(methyl)amino]thiophene-2-carbaldehyde","Acta Crystallographica Section E","2014","70","6","o724","","10.1107/S1600536814012021","","","0.71069","MoKα","","0.0249","0.0237","","","0.0659","0.0669","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239628","17.6983","0.0006","4.94078","0.00013","14.4603","0.0005","90","","111.236","0.004","90","","1178.6","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Methylphenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide","","- C12 H12 N2 O S -","- C12 H12 N2 O S -","- C48 H48 N8 O4 S4 -","4","1","HB7232","Narayana, B.; Nayak, Prakash S.; Sarojini, Balladka K.; Jasinski, Jerry P.","2-(2-Methylphenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide","Acta Crystallographica Section E","2014","70","6","o716","","10.1107/S1600536814011684","","","1.54184","CuKα","","0.0433","0.0401","","","0.1094","0.1134","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239629","8.517","0.002","9.092","0.002","9.622","0.003","93.984","0.007","95.015","0.007","97.587","0.007","733.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(dicyanamido-κ<i>N</i>^1^)cobalt(II)]bis{μ-1,2-bis[(1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^}]","","- C28 H24 Co N18 -","- C28 H24 Co N18 -","- C28 H24 Co N18 -","1","0.5","","Zhang, Jixia; Shen, Xiaoping","<i>catena</i>-Poly[[bis(dicyanamido-κ<i>N</i>^1^)cobalt(II)]bis{μ-1,2-bis[(1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^}]","Acta Crystallographica Section E","2014","70","7","m244","","10.1107/S1600536814012331","","","0.7107","MoKα","","0.0675","0.0486","","","0.1009","0.1105","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239630","6.797","0.005","10.339","0.006","12.11","0.007","113.48","0.005","91.009","0.007","98.906","0.005","768.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium) sulfate monohydrate","","- C10 H18 N6 O7 S -","- C10 H18 N6 O7 S -","- C20 H36 N12 O14 S2 -","2","1","BG2531","Soudani, Sarra; Wenger, Emmanuel; Jelsch, Christian; Ben Nasr, Cherif","Bis(2-amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium) sulfate monohydrate","Acta Crystallographica Section E","2014","70","7","o747","o748","10.1107/S1600536814012513","","","0.71073","MoKα","","0.092","0.0806","","","0.1276","0.1313","","","","","","1.354","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239631","5.6833","0.0003","13.0817","0.0006","16.4001","0.0008","90","","90","","90","","1219.3","0.1","302","2","302","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-3-Chloro-<i>N</i>'-(2-fluorobenzylidene)thiophene-2-carbohydrazide","","- C12 H8 Cl F N2 O S -","- C12 H8 Cl F N2 O S -","- C48 H32 Cl4 F4 N8 O4 S4 -","4","1","CV5453","Sultan, Sadia; Taha, Muhammad; Shah, Syed Adnan Ali; Yamin, Bohari M.; Zaki, Hamizah Mohd","(<i>E</i>)-3-Chloro-<i>N</i>'-(2-fluorobenzylidene)thiophene-2-carbohydrazide","Acta Crystallographica Section E","2014","70","7","o751","","10.1107/S1600536814011568","","","0.71073","MoKα","","0.0231","0.0225","","","0.0641","0.0647","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239632","14.3341","0.001","16.6498","0.0011","17.0533","0.0011","82.157","0.001","72.859","0.001","71.608","0.001","3686.3","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","Octa-μ~3~-selenido-pentakis(triethylphosphane-κ<i>P</i>)(trimethylacetonitrile-κ<i>N</i>)-<i>octahedro</i>-hexarhenium(III) bis(hexafluoridoantimonate) trimethylacetonitrile monosolvate","","- C40 H93 F12 N2 P5 Re6 Sb2 Se8 -","- C40 H93 F12 N2 P5 Re6 Sb2 Se8 -","- C80 H186 F24 N4 P10 Re12 Sb4 Se16 -","2","1","","Ren, YiXin; Bruck, Andrea M.; Szczepura, Lisa F.","Octa-μ~3~-selenido-pentakis(triethylphosphane-κ<i>P</i>)(trimethylacetonitrile-κ<i>N</i>)-<i>octahedro</i>-hexarhenium(III) bis(hexafluoridoantimonate) trimethylacetonitrile monosolvate","Acta Crystallographica Section E","2014","70","7","m242","m243","10.1107/S1600536814011982","","","0.71073","MoKα","","0.0291","0.0237","","","0.0541","0.0559","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239633","13.0495","0.0009","10.8363","0.0006","7.6723","0.0005","90","","91.268","0.004","90","","1084.66","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl (2<i>Z</i>)-3-hydroxy-3-(4-nitrophenyl)prop-2-enoate","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","BX2458","Hill, Tania N.; Patel, Naadiya","Ethyl (2<i>Z</i>)-3-hydroxy-3-(4-nitrophenyl)prop-2-enoate","Acta Crystallographica Section E","2014","70","7","o750","","10.1107/S1600536814011891","","","0.71073","MoKα","","","0.0465","","","","0.1287","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239634","13.1573","0.0016","27.647","0.003","14.2153","0.0017","90","","107.718","0.0016","90","","4925.7","1","153","","153","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ~2~-Acetato-κ^2^<i>O</i>:<i>O</i>'-(4,4'-bipyridyl-κ<i>N</i>)tris(diethyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')-μ~3~-sulfido-tri-μ~2~-sulfido-trimolybdenum(V) diethyl ether solvate","","- C28 H51 Mo3 N2 O9 P3 S10 -","- C28 H51 Mo3 N2 O9 P3 S10 -","- C112 H204 Mo12 N8 O36 P12 S40 -","4","1","","Kawamoto, Keisuke; Kinoshita, Isamu","μ~2~-Acetato-κ^2^<i>O</i>:<i>O</i>'-(4,4'-bipyridyl-κ<i>N</i>)tris(diethyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')-μ~3~-sulfido-tri-μ~2~-sulfido-trimolybdenum(IV) diethyl ether monosolvate","Acta Crystallographica Section E","2014","70","7","m240","m241","10.1107/S1600536814012501","","","0.71075","MoKα","","","0.0401","","","","0.0945","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239635","11.3197","0.0004","9.8341","0.0003","13.4207","0.0004","90","","106.387","0.002","90","","1433.29","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-[(2-Aminobenzyl)amino]-1-phenylbut-2-en-1-one","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","SU2735","Sairaj, Vedavalli; Srinivasan, Thothadri; Kandaswamy, Muthusamy; Velmurugan, Devadasan","(<i>Z</i>)-3-[(2-Aminobenzyl)amino]-1-phenylbut-2-en-1-one","Acta Crystallographica Section E","2014","70","7","o742","","10.1107/S1600536814012070","","","0.71073","MoKα","","0.083","0.0499","","","0.1349","0.1559","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239636","6.5741","0.0017","6.798","0.003","10.437","0.005","79.03","0.03","86.45","0.03","76","0.03","444.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","6-Iodo-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H5 I O3 -","- C10 H5 I O3 -","- C20 H10 I2 O6 -","2","1","","Ishikawa, Yoshinobu","6-Iodo-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","7","o744","","10.1107/S1600536814012471","","","0.71069","MoKα","","","0.0394","","","","0.1035","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239637","6.9436","0.0015","7.1539","0.0017","9.165","0.002","102.049","0.019","103.403","0.017","100.65","0.019","419.89","0.18","100","","100","","","","","","","","","4","P -1","-P 1","2","","8-Chloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H5 Cl O3 -","- C10 H5 Cl O3 -","- C20 H10 Cl2 O6 -","2","1","","Ishikawa, Yoshinobu","8-Chloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","7","o743","","10.1107/S1600536814012483","","","0.71069","MoKα","","","0.0275","","","","0.0753","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239638","15.5","0.007","4.865","0.002","11.713","0.006","90","","95.371","0.009","90","","879.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-Tetrafluoro-1,4-bis({[(thiophen-2-yl)methylidene]amino}methyl)benzene","","- C18 H12 F4 N2 S2 -","- C18 H12 F4 N2 S2 -","- C36 H24 F8 N4 S4 -","2","0.5","","Gao, Ning; Luo, Hai-Kun; Qin, Rui-Rui; He, Ming-Yang","2,3,5,6-Tetrafluoro-1,4-bis({[(thiophen-2-yl)methylidene]amino}methyl)benzene","Acta Crystallographica Section E","2014","70","7","o749","","10.1107/S1600536814012434","","","0.71073","MoKα","","0.032","0.0297","","","0.0861","0.09","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239639","8.0769","0.0012","10.8723","0.0019","12.909","0.003","101.511","0.006","96.399","0.006","109.817","0.005","1025.1","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Poly[[tris(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')(4-chlorobenzene-1,2-diamine-κ<i>N</i>)(μ~3~-hydroxido)dizinc] ethanol monosolvate]","","- C14 H23 Cl N2 O8 Zn2 -","- C14 H23 Cl N2 O8 Zn2 -","- C28 H46 Cl2 N4 O16 Zn4 -","2","1","GG2136","Geiger, David K.; Parsons, Dylan E.","Poly[[tris(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')(4-chlorobenzene-1,2-diamine-κ<i>N</i>)(μ~3~-hydroxido)dizinc] ethanol monosolvate]","Acta Crystallographica Section E","2014","70","7","m247","m248","10.1107/S1600536814012641","","","0.71073","MoKα","","0.0896","0.0588","","","0.1576","0.1813","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239640","10.2557","0.0014","11.3234","0.0015","23.22","0.003","87.474","0.002","81.501","0.002","89.955","0.002","2664.3","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","(5-<i>n</i>-Butyl-10,20-diisobutylporphyrinato)nickel(II)","","- C32 H36 N4 Ni -","- C32 H36 N4 Ni -","- C128 H144 N16 Ni4 -","4","2","","Senge, Mathias O.; Dahms, Katja","(5-<i>n</i>-Butyl-10,20-diisobutylporphyrinato)nickel(II)","Acta Crystallographica Section E","2014","70","7","m251","","10.1107/S1600536814012884","","","0.71073","MoKα","","0.0603","0.0373","","","0.0922","0.1059","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239641","14.3626","0.0014","11.02","0.0011","9.3467","0.0009","90","","113.522","0.002","90","","1356.4","0.2","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","3149","(η^4^-Cyclooctatetraene)(η^8^-cyclooctatetraene)iodidotantalum(V)","","- C16 H16 I Ta -","- C16 H16 I Ta -","- C64 H64 I4 Ta4 -","4","0.5","LH5707","Verma, Pratik; Sussman, Victor J.; Brennessel, William W.; Ellis, John E.","(η^4^-Cyclooctatetraene)(η^8^-cyclooctatetraene)iodidotantalum(V)","Acta Crystallographica Section E","2014","70","7","m245","m246","10.1107/S1600536814012379","","","0.71073","MoKα","","0.02","0.0173","","","0.0394","0.04","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239642","10.232","0.002","10.872","0.003","16.769","0.004","90","","90","","90","","1865.4","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Cyano-1-methylpyridinium perchlorate","","- C7 H7 Cl N2 O4 -","- C7 H7 Cl N2 O4 -","- C56 H56 Cl8 N16 O32 -","8","1","SU2740","Nguyen, Vu D.; McCormick, Cameron A.; Koplitz, Lynn V.; Mague, Joel T.","4-Cyano-1-methylpyridinium perchlorate","Acta Crystallographica Section E","2014","70","7","o756","o757","10.1107/S1600536814012860","","","0.71073","MoKα","","0.0382","0.0344","","","0.0923","0.0968","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239643","10.048","0.002","24.165","0.005","20.978","0.004","90","","92.92","0.03","90","","5087.1","1.8","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis[bis(diglyme)sodium] 1,1,2,2-tetraphenylethane-1,2-diide","Bis{bis[1-methoxy-2-(2-methoxyethoxy)ethane-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']sodium} 1,1,2,2-tetraphenylethane-1,2-diide","","- C50 H76 Na2 O12 -","- C50 H76 Na2 O12 -","- C200 H304 Na8 O48 -","4","0.5","","Minyaev, Mikhail E.; Ellis, John E.","Bis{bis[1-methoxy-2-(2-methoxyethoxy)ethane-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']sodium} 1,1,2,2-tetraphenylethane-1,2-diide","Acta Crystallographica Section E","2014","70","7","m249","m250","10.1107/S1600536814012823","","","0.71073","MoKα","","0.0619","0.0478","","","0.1078","0.1151","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239644","5.0164","0.0005","5.2908","0.0004","21.8464","0.0018","92.833","0.006","90.315","0.007","96.222","0.007","575.67","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","4-[(4-Acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid","4-[(4-Acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C26 H26 N2 O8 -","2","1","ZL2589","Narayana, B.; Nayak, Prakash S.; Sarojini, Balladka K.; Jasinski, Jerry P.","4-[(4-Acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid","Acta Crystallographica Section E","2014","70","7","o752","o753","10.1107/S1600536814012562","","","1.54184","CuKα","","0.053","0.0482","","","0.1275","0.1336","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239645","15.0727","0.0012","5.2947","0.0005","15.539","0.0012","90","","100.916","0.005","90","","1217.66","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Vinclozolin","3-(3,5-Dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione","","- C12 H9 Cl2 N O3 -","- C12 H9 Cl2 N O3 -","- C48 H36 Cl8 N4 O12 -","4","1","SJ5407","Cho, Seonghwa; Kim, Jineun; Lee, Sangjin; Kim, Tae Ho","Vinclozolin: 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione","Acta Crystallographica Section E","2014","70","7","o754","","10.1107/S1600536814012781","","","0.71073","MoKα","","0.0553","0.0419","","","0.1083","0.1148","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239646","7.729","0.008","8.258","0.008","11.927","0.011","89.172","0.016","83.82","0.03","74.54","0.02","729.4","1.2","296","3","296","3","","","","","","","","4","P -1","-P 1","2","","[μ-(2,6,7-η:3,4,5-η)-Cycloocta-2,4,6-trienone]bis(tricarbonyldiiron)(<i>Fe</i>—<i>Fe</i>)","","- C14 H8 Fe2 O7 -","- C14 H8 Fe2 O7 -","- C28 H16 Fe4 O14 -","2","1","PK2527","Corfield, Peter W. R.","A cyclooctatrienone complex of diiron hexacarbonyl","Acta Crystallographica Section E","2014","70","7","m254","","10.1107/S1600536814012690","","","0.7107","MoKα","","0.0333","0.0273","","","0.0869","0.0906","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239647","15.4576","0.0006","16.0945","0.0009","7.5348","0.0003","90","","90.079","0.004","90","","1874.52","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 5-methyl-1-(1<i>H</i>-pyrazol-3-yl)-1<i>H</i>-1,2,3-triazole-4-carboxylate","","- C8 H9 N5 O2 -","- C8 H9 N5 O2 -","- C64 H72 N40 O16 -","8","2","","Bai, Xiao-Guang; Feng, Chao","Methyl 5-methyl-1-(1<i>H</i>-pyrazol-3-yl)-1<i>H</i>-1,2,3-triazole-4-carboxylate","Acta Crystallographica Section E","2014","70","7","o755","","10.1107/S1600536814012380","","","0.71073","MoKα","","0.0784","0.0527","","","0.1411","0.1532","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239648","8.841","0.0003","9.5579","0.0004","9.5875","0.0004","87.169","0.002","88.945","0.002","74.735","0.002","780.61","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","<i>trans</i>-Bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(methanol-κ<i>O</i>)iron(II) bis(perchlorate)","","- C26 H24 Cl2 Fe N8 O10 S2 -","- C26 H24 Cl2 Fe N8 O10 S2 -","- C26 H24 Cl2 Fe N8 O10 S2 -","1","0.5","LR2128","Kaase, Dominic; Klingele, Julia","<i>trans</i>-Bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(methanol-κ<i>O</i>)iron(II) bis(perchlorate)","Acta Crystallographica Section E","2014","70","7","m252","m253","10.1107/S160053681401277X","","","0.71073","MoKα","","0.0325","0.027","","","0.0598","0.0624","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239649","7.6641","0.0002","10.1601","0.0003","8.7797","0.0002","90","","100.975","0.003","90","","671.15","0.03","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetraammineplatinum(II) dichloride ammonia tetrasolvate","","- Cl2 H24 N8 Pt -","- Cl2 H24 N8 Pt -","- Cl4 H48 N16 Pt2 -","2","0.5","PK2522","Grassl, Tobias; Korber, Nikolaus","Tetraammineplatinum(II) dichloride ammonia tetrasolvate","Acta Crystallographica Section E Structure Reports Online","2014","70","7","i31","","10.1107/S1600536814012343","","","0.71073","MoKα","","0.0097","0.0087","","","0.0201","0.0205","","","","","","1.115","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239650","7.6856","0.0005","10.1505","0.0007","8.717","0.0006","90","","100.384","0.007","90","","668.9","0.08","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetraamminepalladium(II) dichloride ammonia tetrasolvate","","- Cl2 H24 N8 Pd -","- Cl2 H24 N8 Pd -","- Cl4 H48 N16 Pd2 -","2","0.5","PK2523","Grassl, Tobias; Korber, Nikolaus","Tetraamminepalladium(II) dichloride ammonia tetrasolvate","Acta Crystallographica Section E","2014","70","7","i32","","10.1107/S1600536814012355","","","0.71073","MoKα","","0.0338","0.0266","","","0.0537","0.0581","","","","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239651","6.1057","0.0002","12.1389","0.0002","9.2737","0.0002","90","","99.302","0.002","90","","678.3","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Corymbolone","(4<i>S</i>,4a<i>R</i>,6<i>R</i>,8a<i>R</i>)-4a-hydroxy-4,8a-dimethyl-6-(prop-1-en-2-yl)octahydronaphthalen-1(2<i>H</i>)-one","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","","Burrett, Stacey; Taylor, Dennis K.; Tiekink, Edward R. T.","Corymbolone","Acta Crystallographica Section E","2014","70","7","o758","","10.1107/S1600536814012938","","","1.54184","CuKα","","0.0304","0.0303","","","0.0827","0.0829","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239652","7.9717","0.0001","16.302","0.0002","18.0602","0.0003","90","","91.244","0.001","90","","2346.45","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(η^6^-Benzene)dichlorido(chlorodicyclohexylphosphane-κ<i>P</i>)ruthenium(II) chloroform monosolvate","","- C19 H29 Cl6 P Ru -","- C19 H29 Cl6 P Ru -","- C76 H116 Cl24 P4 Ru4 -","4","1","","Gowrisankar, Saravanan; Neumann, Helfried; Spannenberg, Anke; Beller, Matthias","(η^6^-Benzene)dichlorido(chlorodicyclohexylphosphane-κ<i>P</i>)ruthenium(II) chloroform monosolvate","Acta Crystallographica Section E","2014","70","7","m255","","10.1107/S1600536814012975","","","0.71073","MoKα","","0.025","0.0194","","","0.0453","0.0475","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239653","6.8148","0.0006","11.1115","0.0009","13.8239","0.0015","70.935","0.009","81.42","0.008","75.829","0.007","956.52","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}butan-1-one","","- C22 H25 Cl N2 O -","- C22 H25 Cl N2 O -","- C44 H50 Cl2 N4 O2 -","2","1","CV5461","Narayana, B.; Salian, Vinutha V.; Sarojini, Balladka K.; Jasinski, Jerry P.","1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}butan-1-one","Acta Crystallographica Section E","2014","70","7","o761","o762","10.1107/S1600536814013063","","","1.54184","CuKα","","0.054","0.0466","","","0.1253","0.1337","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239654","14.9112","0.001","6.1225","0.0003","9.1635","0.0004","90","","90","","90","","836.57","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Dimanganese vanadate hydroxide","Dimanganese(II) hydroxide vanadate","","- H Mn2 O5 V -","- H Mn2 O5 V -","- H8 Mn16 O40 V8 -","8","1","","Sun, Kewen; Möller, Angela","Dimanganese(II) hydroxide vanadate, Mn~2~(OH)[VO~4~]","Acta Crystallographica Section E","2014","70","7","i33","","10.1107/S1600536814012926","","","0.71075","MoKα","","0.0494","0.0449","","","0.0613","0.0621","","","","","","1.356","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239655","6.6042","0.0003","10.1188","0.0009","14.4806","0.0012","98.444","0.007","90.65","0.006","106.542","0.006","916.14","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}propan-1-one","","- C21 H23 Cl N2 O -","- C21 H23 Cl N2 O -","- C42 H46 Cl2 N4 O2 -","2","1","IS5364","Narayana, B.; Salian, Vinutha V.; Sarojini, Balladka K.; Jasinski, Jerry P.","1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}propan-1-one","Acta Crystallographica Section E","2014","70","7","o763","o764","10.1107/S1600536814013075","","","1.54184","CuKα","","0.0511","0.0474","","","0.1283","0.1334","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239656","8.3301","0.001","26.07","0.004","12.0441","0.0014","90","","94.496","0.006","90","","2607.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5'-([1,1'-Biphenyl]-4-yl)-1',1'',3''-trimethyldispiro[indane-2,2'-pyrrolidine-4',5''-[1,3]diazinane]-1,3,2'',4'',6''-pentaone","","- C30 H25 N3 O5 -","- C30 H25 N3 O5 -","- C120 H100 N12 O20 -","4","1","","Subramanyahegde; Amar, Hosamani; Shivaraj, Yellappa; Vijayakumar, Giriyapura R.; Palakshamurthy, Bandrehalli Siddagangaiah","5'-([1,1'-Biphenyl]-4-yl)-1',1'',3''-trimethyldispiro[indane-2,2'-pyrrolidine-4',5''-[1,3]diazinane]-1,3,2'',4'',6''-pentaone","Acta Crystallographica Section E","2014","70","7","o759","","10.1107/S1600536814013117","","","0.71073","MoKα","","0.0727","0.0498","","","0.1213","0.1302","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239657","10.2044","0.0004","11.1242","0.0004","11.3901","0.0004","70.685","0.002","83.398","0.002","63.05","0.003","1086.73","0.08","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)antimony(V) hexachloridoantimonate(V)","","- C44 H28 Cl8 N4 Sb2 -","- C44 H28 Cl8 N4 Sb2 -","- C44 H28 Cl8 N4 Sb2 -","1","0.5","","Soury, Raoudha; Belkhiria, Mohamed Salah; Giorgi, Michel; Nasri, Habib","Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)antimony(V) hexachloridoantimonate(V)","Acta Crystallographica Section E","2014","70","7","m256","m257","10.1107/S1600536814012653","","","0.71073","MoKα","","0.0692","0.0651","","","0.1693","0.1726","","","","","","1.132","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239658","32.873","0.002","5.7137","0.0007","7.9177","0.0009","90","","91.143","0.008","90","","1486.9","0.3","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tripotassium iron(III) bis(orthomolybdate) dimolybdate","","- Fe K3 Mo4 O15 -","- Fe K3 Mo4 O15 -","- Fe4 K12 Mo16 O60 -","4","0.5","WM5025","Souilem, Amira; Zid, Mohamed Faouzi; Driss, Ahmed","β-K~3~Fe(MoO~4~)~2~Mo~2~O~7~","Acta Crystallographica Section E","2014","70","7","i38","","10.1107/S1600536814013087","","","0.71073","MoKα","","0.0332","0.0291","","","0.0738","0.0764","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239659","10.9002","0.0009","10.9002","0.0009","10.9002","0.0009","90","","90","","90","","1295.1","0.19","298","2","298","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Dirubidium dimanganese(II) tris(tetraoxomolybdate)","","- Mn2 Mo3 O12 Rb2 -","- Mn2 Mo3 O12 Rb2 -","- Mn8 Mo12 O48 Rb8 -","4","0.333333","RU2059","Bouzidi, Chahira; Zid, Mohamed Faouzi; Driss, Ahmed; Souilem, Amira","Non-centrosymmetric Rb~2~Mn~2~(MoO~4~)~3~","Acta Crystallographica Section E","2014","70","7","i36","i37","10.1107/S1600536814013099","","","0.71073","MoKα","","0.0428","0.0354","","","0.0765","0.079","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239660","6.8205","0.0014","8.9062","0.0018","4.6937","0.0011","90","","101.78","0.02","90","","279.11","0.11","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Dithulium disilicate","","- O7 Si2 Tm2 -","- O7 Si2 Tm2 -","- O14 Si4 Tm4 -","2","0.25","WM5029","Kahlenberg, Volker; Aichholzer, Paul","Thortveitite-type Tm~2~Si~2~O~7~","Acta Crystallographica Section E","2014","70","7","i34","i35","10.1107/S1600536814013142","","","0.71073","MoKα","","0.0188","0.018","","","0.045","0.0454","","","","","","1.154","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239661","4.9128","0.0006","25.137","0.004","12.295","0.0016","90","","96.513","0.004","90","","1508.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>'-(3,4-Dimethoxybenzylidene)nicotinohydrazide monohydrate","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","SJ5412","Novina, J. Josephine; Vasuki, G.; Suresh, M.; Padusha, M. Syed Ali","(<i>E</i>)-<i>N</i>'-(3,4-Dimethoxybenzylidene)nicotinohydrazide monohydrate","Acta Crystallographica Section E","2014","70","7","o793","o794","10.1107/S1600536814013798","","","0.71073","MoKα","","0.0899","0.0483","","","0.1178","0.1405","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239662","17.2493","0.0012","9.6046","0.0005","27.7664","0.0017","90","","90","","90","","4600.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>S</i>)-2'-Amino-6'-methyl-2,5',5'-trioxo-6'<i>H</i>-spiro[indoline-3,4'-pyrano[3,2-<i>c</i>][2,1]benzothiazine]-3'-carbonitrile dimethylformamide monosolvate","","- C23 H21 N5 O5 S -","- C23 H21 N5 O5 S -","- C184 H168 N40 O40 S8 -","8","1","KP2471","Shishkina, Svitlana V.; Ukrainets, Igor V.; Petrushova, Lidiya A.","(<i>R</i>,<i>S</i>)-2'-Amino-6'-methyl-2,5',5'-trioxo-6'<i>H</i>-spiro[indoline-3,4'-pyrano[3,2-<i>c</i>][2,1]benzothiazine]-3'-carbonitrile dimethylformamide monosolvate","Acta Crystallographica Section E","2014","70","7","o786","o787","10.1107/S1600536814013634","","","0.71073","MoKα","","0.1483","0.0717","","","0.1661","0.1943","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239663","10.6606","0.0003","11.0902","0.0003","13.423","0.0004","100.518","0.002","105.863","0.002","100.848","0.002","1452.55","0.08","273","2","273","2","","","","","","","","6","P -1","-P 1","2","pyrazole","2-[5-(2-Methylphenyl)-3-(2-methylstyryl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-6-(thiophen-2-yl)-4-(trifluoromethyl)pyrimidine chloroform monosolvate","","- C29 H24 Cl3 F3 N4 S -","- C29 H24 Cl3 F3 N4 S -","- C58 H48 Cl6 F6 N8 S2 -","2","1","ZQ2224","Flores, Alex Fabiani Claro; Flores, Darlene Correia; de Vicenti, Juliano Rosa; Campos, Patrick Teixeira","2-[5-(2-Methylphenyl)-3-(2-methylstyryl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-6-(thiophen-2-yl)-4-(trifluoromethyl)pyrimidine chloroform monosolvate","Acta Crystallographica Section E","2014","70","7","o789","o790","10.1107/S160053681401321X","","","0.71073","MoKα","","0.0902","0.0684","","","0.2241","0.2419","","","","","","1.106","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239664","15.5482","0.0009","14.7033","0.0007","12.1907","0.0006","90","","101.856","0.002","90","","2727.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Amino-5'-bromo-6-(4-methylbenzoyl)-8-nitro-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indolin]-2'-one","","- C22 H18 Br N5 O4 -","- C22 H18 Br N5 O4 -","- C88 H72 Br4 N20 O16 -","4","1","TK5316","Nagalakshmi, R. A.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","5-Amino-5'-bromo-6-(4-methylbenzoyl)-8-nitro-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indolin]-2'-one including an unknown solvate","Acta Crystallographica Section E","2014","70","7","o816","o817","10.1107/S1600536814014391","","","0.71073","MoKα","","0.0622","0.0404","","","0.1079","0.114","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239665","10.3434","0.0008","5.3355","0.0003","24.4948","0.0018","90","","91.171","0.003","90","","1351.52","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C56 H64 N8 O8 S4 -","4","1","SJ5409","Haress, Nadia G.; Ghabbour, Hazem A.; El-Emam, Ali A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2014","70","7","o768","o769","10.1107/S1600536814013269","","","0.71073","MoKα","","0.1009","0.0627","","","0.1231","0.1342","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239666","6.2782","0.0004","8.3251","0.0005","21.3244","0.0012","96.462","0.005","92.026","0.005","95.39","0.005","1101.39","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-[(4-Bromophenyl)amino]-2-methylidene-4-oxobutanoic acid","","- C11 H10 Br N O3 -","- C11 H10 Br N O3 -","- C44 H40 Br4 N4 O12 -","4","2","BT6983","Narayana, B.; Nayak, Prakash S.; Sarojini, Balladka K.; Jasinski, Jerry P.","4-[(4-Bromophenyl)amino]-2-methylidene-4-oxobutanoic acid","Acta Crystallographica Section E","2014","70","7","o779","o780","10.1107/S1600536814012872","","","1.54184","CuKα","","0.0844","0.0756","","","0.2157","0.2273","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239667","7.3431","0.0003","10.6075","0.0004","13.8449","0.0006","85.762","0.003","88.124","0.003","73.53","0.002","1031.25","0.07","100","2","99.99","","","","","","","","","4","P -1","-P 1","2","","Diethyl 4-(biphenyl-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C50 H54 N2 O8 -","2","1","ZL2590","Steiger, Scott A.; Monacelli, Anthony J.; Li, Chun; Hunting, Janet L.; Natale, Nicholas R.","Diethyl 4-(biphenyl-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2014","70","7","o791","o792","10.1107/S1600536814013294","","","0.71073","MoKα","","0.1155","0.0621","","","0.1267","0.1491","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239668","10.5992","0.0002","16.1201","0.0003","17.3449","0.0002","90","","100.879","0.001","90","","2910.29","0.08","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-[1,2-Bis(pyridin-4-yl)ethane-κ<i>N</i>]tricarbonyl(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')rhenium(I) hexafluoridophosphate acetonitrile monosolvate","","- C29 H23 F6 N5 O3 P Re -","- C29 H23 F6 N5 O3 P Re -","- C116 H92 F24 N20 O12 P4 Re4 -","4","1","CV5465","Guilardi, Silvana; Patrocinio, Antonio Otavio Toledo; de Sousa, Sinval Fernandes; Ellena, Javier","<i>fac</i>-[1,2-Bis(pyridin-4-yl)ethane-κ<i>N</i>]tricarbonyl(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')rhenium(I) hexafluoridophosphate acetonitrile monosolvate","Acta Crystallographica Section E","2014","70","7","m278","m279","10.1107/S1600536814014135","","","0.71073","MoKα","","0.0457","0.0406","","","","0.1089","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239669","6.0141","0.0005","7.8839","0.0008","13.5992","0.0014","90","","94.442","0.006","90","","642.86","0.11","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","[4-(Allyloxy)phenyl](phenyl)methanone","","- C16 H14 O2 -","- C16 H14 O2 -","- C32 H28 O4 -","2","1","LD2129","D'Vries, Richard F.; Grande, Carlos D.; Chaur, Manuel N.; Ellena, Javier A.; Advincula, Rigoberto C.","[4-(Allyloxy)phenyl](phenyl)methanone","Acta Crystallographica Section E","2014","70","7","o814","o815","10.1107/S1600536814014342","","","0.71073","MoKα","","0.0916","0.0487","","","0.1106","0.1325","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239670","25.397","0.005","14.6","0.003","25.51","0.005","90","","90","","90","","9459","3","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","Bis[<i>trans</i>-difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III)] sodium tetrachloridozincate perchlorate","","- C40 H40 Cl5 Cr2 F4 N8 Na O4 Zn -","- C40 H40 Cl5 Cr2 F4 N8 Na O4 Zn -","- C320 H320 Cl40 Cr16 F32 N64 Na8 O32 Zn8 -","8","1","","Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha","Bis[<i>trans</i>-difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III)] sodium tetrachloridozincate perchlorate from synchrotron data","Acta Crystallographica Section E","2014","70","7","m280","","10.1107/S1600536814014408","","","0.62998","synchrotron","","0.0492","0.0471","","","0.1341","0.1361","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239671","7.8869","0.0002","11.0042","0.0002","17.5181","0.0004","90","","90","","90","","1520.38","0.06","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Fluorophenylsulfinyl)-2,4,5,6-tetramethyl-1-benzofuran","","- C18 H17 F O2 S -","- C18 H17 F O2 S -","- C72 H68 F4 O8 S4 -","4","1","CV5468","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Fluorophenylsulfinyl)-2,4,5,6-tetramethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","7","o830","","10.1107/S1600536814014822","","","0.71073","MoKα","","0.0436","0.0383","","","0.0912","0.0941","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239672","8.8198","0.0007","9.0245","0.0007","12.3533","0.0007","90","","127.224","0.004","90","","782.94","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{<i>N</i>-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}iron(II)","","- C12 H24 Fe N2 O10 -","- C12 H24 Fe N2 O10 -","- C24 H48 Fe2 N4 O20 -","2","0.5","","Jiang, Ning; Hou, Juan-Juan","Bis{<i>N</i>-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}iron(II)","Acta Crystallographica Section E","2014","70","7","m274","","10.1107/S160053681401397X","","","0.71073","MoKα","","0.0726","0.0457","","","0.0843","0.0993","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239673","22.173","0.0004","15.1385","0.0003","23.6954","0.0005","90","","90","","90","","7953.7","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(η^6^-Benzene)(carbonato-κ^2^<i>O</i>,<i>O</i>')[dicyclohexyl(naphthalen-1-ylmethyl)phosphane-κ<i>P</i>]ruthenium(II) chloroform trisolvate","","- C33 H40 Cl9 O3 P Ru -","- C31 H38 Cl3 O3 P Ru -","- C248 H304 Cl24 O24 P8 Ru8 -","8","1","","Gowrisankar, Saravanan; Neumann, Helfried; Spannenberg, Anke; Beller, Matthias","(η^6^-Benzene)(carbonato-κ^2^<i>O</i>,<i>O</i>')[dicyclohexyl(naphthalen-1-ylmethyl)phosphane-κ<i>P</i>]ruthenium(II) chloroform trisolvate","Acta Crystallographica Section E","2014","70","7","m272","m273","10.1107/S1600536814014081","","","1.54178","CuKα","","0.0479","0.0409","","","0.1058","0.1095","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239674","8.6184","0.0002","16.8358","0.0004","9.4019","0.0002","90","","111.254","0.001","90","","1271.4","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Fluoro-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C15 H10 F2 O2 S -","- C15 H10 F2 O2 S -","- C60 H40 F8 O8 S4 -","4","1","BT6985","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Fluoro-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2014","70","7","o829","","10.1107/S1600536814014810","","","0.71073","MoKα","","0.0452","0.0375","","","0.0949","0.0998","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239675","8.9245","0.0012","10.6597","0.0015","11.3727","0.0015","96.614","0.002","100.601","0.002","114.325","0.002","946.8","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","Diaquatris(4-oxopent-2-en-2-olato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)","","- C15 H25 La O8 -","- C15 H25 La O8 -","- C30 H50 La2 O16 -","2","1","HB7216","Okawara, Toru; Ishihama, Kohei; Takehara, Kenji","Redetermination of diaquatris(4-oxopent-2-en-2-olato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)","Acta Crystallographica Section E","2014","70","7","m258","m259","10.1107/S1600536814013336","","","0.71073","MoKα","","0.0228","0.0222","","","0.0579","0.0583","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239676","8.5204","0.0003","7.8742","0.0003","14.1844","0.0005","90","","105.804","0.001","90","","915.68","0.06","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>tert</i>-Butyl)(2-hydroxyethyl)ammonium chloride","","- C6 H16 Cl N O -","- C6 H16 Cl N O -","- C24 H64 Cl4 N4 O4 -","4","1","GW2144","Valerio-Cárdenas, Cintya; Hernández-Ortega, Simón; Morales-Morales, David","(<i>tert</i>-Butyl)(2-hydroxyethyl)ammonium chloride","Acta Crystallographica Section E","2014","70","7","o783","","10.1107/S1600536814012847","","","0.71073","MoKα","","0.081","0.0457","","","0.107","0.1235","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239677","11.149","0.002","15.753","0.003","18.905","0.004","90","","92.5","0.03","90","","3317.1","1.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexa-μ~2~-chlorido-μ~4~-oxido-tetrakis[(morpholine-κ<i>N</i>)copper(II)] methanol disolvate","","- C18 H44 Cl6 Cu4 N4 O7 -","- C18 H44 Cl6 Cu4 N4 O7 -","- C72 H176 Cl24 Cu16 N16 O28 -","4","1","HB7241","Gubina, Kateryna; Ovchynnikov, Vladimir; Amirkhanov, Vladimir","Hexa-μ~2~-chlorido-μ~4~-oxido-tetrakis[(morpholine-κ<i>N</i>)copper(II)] methanol disolvate","Acta Crystallographica Section E","2014","70","7","m276","m277","10.1107/S160053681401407X","","","0.71073","MoKα","","0.0932","0.0541","","","0.0804","0.0924","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239678","6.6537","0.0013","8.0998","0.0015","20.179","0.004","90","","90","","90","","1087.5","0.4","188","2","188","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[guanidinium [tri-μ-formato-κ^6^<i>O</i>:<i>O</i>'-formato-κ^2^<i>O</i>,<i>O</i>'-yttrium(III)]]","","- C5 H10 N3 O8 Y -","- C5 H10 N3 O8 Y -","- C20 H40 N12 O32 Y4 -","4","1","BV2234","Rodriguez, Mark A.; Sava Gallis, Dorina F.; Nenoff, Tina M.","Poly[guanidinium [tri-μ-formato-κ^6^<i>O</i>:<i>O</i>'-formato-κ^2^<i>O</i>,<i>O</i>'-yttrium(III)]]","Acta Crystallographica Section E","2014","70","7","m261","m262","10.1107/S1600536814013440","","","0.71073","MoKα","","0.0206","0.017","","","0.0355","0.0364","","","","","","0.921","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239679","34.4327","0.0013","9.4152","0.0002","17.1092","0.0007","90","","118.312","0.005","90","","4883.1","0.4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Bromo-5-<i>tert</i>-butyl-<i>N</i>-methyl-<i>N</i>-[2-(methylamino)phenyl]-3-(1-methyl-1<i>H</i>-benzimidazol-2-yl)benzamide","","- C27 H29 Br N4 O -","- C27 H29 Br N4 O -","- C216 H232 Br8 N32 O8 -","8","1","JJ2190","Prasad, Poonam Rajesh; Das, Shikha; Singh, Harkesh B.; Butcher, Ray J.","2-Bromo-5-<i>tert</i>-butyl-<i>N</i>-methyl-<i>N</i>-[2-(methylamino)phenyl]-3-(1-methyl-1<i>H</i>-benzimidazol-2-yl)benzamide","Acta Crystallographica Section E","2014","70","7","o822","o823","10.1107/S1600536814014433","","","1.54184","CuKα","","0.0442","0.034","","","0.0858","0.0932","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239680","29.5408","0.0007","4.0795","0.0001","14.3164","0.0003","90","","111.712","0.003","90","","1602.89","0.07","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[(pyrazine-2-carboxamide-κ<i>N</i>^4^)copper(I)]-μ~3~-iodido]","","- C5 H5 Cu I N3 O -","- C5 H5 Cu I N3 O -","- C40 H40 Cu8 I8 N24 O8 -","8","1","VN2084","Krivosudský, Lukáš; Rakovský, Erik","<i>catena</i>-Poly[[(pyrazine-2-carboxamide-κ<i>N</i>^4^)copper(I)]-μ~3~-iodido]","Acta Crystallographica Section E","2014","70","7","m267","m268","10.1107/S1600536814013695","","","0.71073","MoKα","","0.0283","0.021","","0.0421","0.0407","0.0421","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239681","9.0437","0.0003","13.2792","0.0006","9.8199","0.0005","90","","104.694","0.003","90","","1140.73","0.09","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4<i>R</i>)-3-Hydroxy-7-isopropyl-4-methyl-5,6-dihydrobenzofuran-2(4<i>H</i>)-one","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","2","JJ2187","Heinemann, Frank W.; Herrera, Alberto; Agrifoglio, Giuseppe; Dorta, Romano; Pastrán, Jesús","(4<i>R</i>)-3-Hydroxy-7-isopropyl-4-methyl-5,6-dihydrobenzofuran-2(4<i>H</i>)-one","Acta Crystallographica Section E","2014","70","7","o824","","10.1107/S1600536814014524","","","0.71073","MoKα","","0.0432","0.037","","","0.0977","0.1034","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239682","12.8656","0.0002","17.9807","0.0003","10.1671","0.0002","90","","102.655","0.001","90","","2294.84","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diafenthiuron","1-<i>tert</i>-Butyl-3-(2,6-diisopropyl-4-phenoxyphenyl)thiourea","","- C23 H32 N2 O S -","- C23 H32 N2 O S -","- C92 H128 N8 O4 S4 -","4","1","SJ5414","Jeon, Youngeun; Kang, Gihaeng; Cho, Seonghwa; Kim, Tae Ho","Diafenthiuron: 1-<i>tert</i>-butyl-3-(2,6-diisopropyl-4-phenoxyphenyl)thiourea","Acta Crystallographica Section E","2014","70","7","o807","","10.1107/S1600536814014214","","","0.71073","MoKα","","0.0601","0.0451","","","0.1096","0.1193","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239683","10.5832","0.0002","7.9509","0.0002","28.9259","0.0005","90","","90","","90","","2434","0.09","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Methyl-2-(1-methyl-3-phenylprop-2-en-1-ylidene)hydrazinecarbothioamide","","- C12 H15 N3 S -","- C12 H15 N3 S -","- C96 H120 N24 S8 -","8","1","","Rocha, Fillipe Vieira; de Godoy Netto, Adelino Vieira; Beck, Johannes; Daniels, Jörg; de Oliveira, Adriano Bof","<i>N</i>-Methyl-2-(1-methyl-3-phenylprop-2-en-1-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","7","o800","","10.1107/S1600536814013889","","","0.71073","MoKα","","0.0382","0.0309","","","0.0756","0.0799","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239684","13.6113","0.0005","10.6431","0.0004","26.4365","0.001","90","","96.068","0.001","90","","3808.3","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(<i>N</i>-Phenylthiourea-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I) nitrate","","- C43 H38 Ag N3 O3 P2 S -","- C43 H38 Ag N3 O3 P2 S -","- C172 H152 Ag4 N12 O12 P8 S4 -","4","1","","Mekarat, Sofia; Pakawatchai, Chaveng; Saithong, Saowanit","(<i>N</i>-Phenylthiourea-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I) nitrate","Acta Crystallographica Section E","2014","70","7","m281","m282","10.1107/S1600536814014147","","","0.71073","MoKα","","0.0325","0.0276","","","0.0621","0.0642","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239685","5.725","0.003","32.57","0.03","4.706","0.004","90","","90","","90","","877.5","1.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Chloro-7-fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H4 Cl F O3 -","- C10 H4 Cl F O3 -","- C40 H16 Cl4 F4 O12 -","4","1","","Ishikawa, Yoshinobu","6-Chloro-7-fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","7","o825","","10.1107/S1600536814014706","","","0.71069","MoKα","","","0.0265","","","","0.0735","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239686","13.8505","0.0004","16.2486","0.0004","15.2586","0.0004","90","","118.923","0.002","90","","3005.65","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4-aminopyridinium) dichromate(VI)","","- C10 H14 Cr2 N4 O7 -","- C10 H14 Cr2 N4 O7 -","- C80 H112 Cr16 N32 O56 -","8","2","BH2500","Trabelsi, Sonia; Roisnel, Thierry; Dhaouadi, Hassouna; Marouani, Houda","Bis(4-aminopyridinium) dichromate(VI)","Acta Crystallographica Section E","2014","70","7","m263","m264","10.1107/S1600536814013579","","","0.71073","MoKα","","0.0469","0.0349","","","0.0914","0.0966","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239687","15.663","0.005","5.063","0.003","16.8","0.005","90","","93.124","0.005","90","","1330.3","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>N</i>^1^-[(1<i>H</i>-Imidazol-2-yl)methylidene]-<i>N</i>^4^-phenylbenzene-1,4-diamine","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","1","GG2140","Faizi, Md. Serajul Haque; Mashrai, Ashraf; Shahid, M.; Ahmad, Musheer","<i>N</i>^1^-[(1<i>H</i>-Imidazol-2-yl)methylidene]-<i>N</i>^4^-phenylbenzene-1,4-diamine","Acta Crystallographica Section E","2014","70","7","o806","","10.1107/S1600536814014238","","","0.71073","MoKα","","0.0701","0.0439","","","0.0994","0.1101","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239688","21.698","0.0017","11.077","0.0019","17.515","0.003","90","","104.535","0.002","90","","4075","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 2,6-bis(4-chlorophenyl)-1-isocyano-4-oxocyclohexanecarboxylate","","- C22 H19 Cl2 N O3 -","- C22 H19 Cl2 N O3 -","- C176 H152 Cl16 N8 O24 -","8","1","LR2127","Zhang, Dawei; Yang, Peng; Liu, Wei; Li, Jing","Ethyl 2,6-bis(4-chlorophenyl)-1-isocyano-4-oxocyclohexanecarboxylate","Acta Crystallographica Section E","2014","70","7","o802","","10.1107/S160053681401383X","","","0.71069","MoKα","","0.0634","0.0411","","","0.1026","0.1173","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239689","11.0772","0.0003","16.9999","0.0002","11.6843","0.0003","90","","103.628","0.001","90","","2138.34","0.08","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[tris(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(dimethyl sulfoxide-κ<i>O</i>)tetrakis(thiocyanato-κ<i>N</i>)dicobalt(II)]","","- C38 H36 Co2 N10 O2 S6 -","- C38 H36 Co2 N10 O2 S6 -","- C76 H72 Co4 N20 O4 S12 -","2","0.5","IS5365","Kaenket, Surasak; Phuengphai, Pongthipun; Pakawatchai, Chaveng; Youngme, Sujittra","Poly[tris(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(dimethyl sulfoxide-κ<i>O</i>)tetrakis(thiocyanato-κ<i>N</i>)dicobalt(II)]","Acta Crystallographica Section E","2014","70","7","m265","m266","10.1107/S1600536814013555","","","0.71073","MoKα","","0.0726","0.0431","","","0.0966","0.1086","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239690","4.826","0.002","7.919","0.003","23.06","0.008","90","","90","","90","","881.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethylquinazolin-4(3<i>H</i>)-one","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","","Saitkulov, Fozil E.; Tashniyazov, Azamat A.; Mamadrahimov, Azimjon A.; Shakhidoyatov, Kh. M.","2,3-Dimethylquinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2014","70","7","o788","","10.1107/S1600536814013749","","","1.54184","CuKα","","0.1183","0.0714","","","0.1839","0.2299","","","","","","0.969","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239691","7.6228","0.0013","10.809","0.003","11.26","0.002","116.339","0.014","94.258","0.014","96.19","0.016","818.8","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-4-Methoxy-<i>N</i>'-[(6-methyl-4-oxo-4<i>H</i>-chromen-3-yl)methylidene]benzohydrazide monohydrate","","- C19 H18 N2 O5 -","- C19 H18 N2 O5 -","- C38 H36 N4 O10 -","2","1","","Ishikawa, Yoshinobu; Watanabe, Kohzoh","(<i>E</i>)-4-Methoxy-<i>N</i>'-[(6-methyl-4-oxo-4<i>H</i>-chromen-3-yl)methylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2014","70","7","o784","","10.1107/S1600536814013713","","","0.71069","MoKα","","","0.0359","","","","0.1041","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239692","3.9699","0.001","19.437","0.005","15.402","0.004","90","","90.908","0.003","90","","1188.3","0.5","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","2-Bromo-1-[1-(4-bromophenyl)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]ethanone","","- C11 H9 Br2 N3 O -","- C11 H9 Br2 N3 O -","- C44 H36 Br8 N12 O4 -","4","2","CV5467","Bunev, Alexander S.; Troshina, Marina A.; Ostapenko, Gennady I.; Pavlova, Andzhela P.; Khrustalev, Victor N.","2-Bromo-1-[1-(4-bromophenyl)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]ethanone","Acta Crystallographica Section E","2014","70","7","o818","","10.1107/S1600536814014603","","","0.71073","MoKα","","0.0308","0.0282","","","0.0665","0.0673","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239693","9.4272","0.0005","18.8525","0.0008","12.4345","0.0006","90","","95.443","0.004","90","","2199.97","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Morpholin-4-yl)-4-(2-nitrophenyl)spiro[azetidine-3,9'-xanthen]-2-one","","- C25 H21 N3 O5 -","- C25 H21 N3 O5 -","- C100 H84 N12 O20 -","4","1","SJ5411","Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Heiran, Roghayeh; Özdemir, Namık","1-(Morpholin-4-yl)-4-(2-nitrophenyl)spiro[azetidine-3,9'-xanthen]-2-one","Acta Crystallographica Section E","2014","70","7","o772","o773","10.1107/S1600536814013464","","","0.71073","MoKα","","0.0799","0.0446","","","0.0886","0.0975","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239694","9.8039","0.0002","10.4453","0.0002","10.6765","0.0002","62.208","0.001","66.009","0.001","68.15","0.001","860.8","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-[(1-Benzoylpiperidin-4-yl)methyl]benzamide","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","1","","Prathebha, K.; Reuben Jonathan, D.; Shanmugam, Sathya; Usha, G.","<i>N</i>-[(1-Benzoylpiperidin-4-yl)methyl]benzamide","Acta Crystallographica Section E","2014","70","7","o771","","10.1107/S1600536814012793","","","0.71073","MoKα","","0.0509","0.0429","","","0.1165","0.1245","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239695","8.4772","0.0015","11.18","0.002","19.766","0.004","77.864","0.003","82.777","0.003","74.879","0.003","1763.1","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-[(Cyclohexylidene)amino]-3-(prop-2-en-1-yl)thiourea","","- C10 H17 N3 S -","- C10 H17 N3 S -","- C60 H102 N18 S6 -","6","3","GK2613","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","1-[(Cyclohexylidene)amino]-3-(prop-2-en-1-yl)thiourea","Acta Crystallographica Section E","2014","70","7","o827","o828","10.1107/S1600536814014834","","","0.71073","MoKα","","0.1167","0.0718","","","0.1783","0.2165","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239696","7.4461","0.0001","11.0289","0.0002","33.7892","0.0006","90","","90.579","0.002","90","","2774.7","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-[(3<i>S</i>,3a<i>S</i>,5<i>R</i>,8<i>S</i>,8a<i>S</i>)-3,8-Dimethylhexahydro-1<i>H</i>,4<i>H</i>-3a,8a-epoxyazulen-5-yl]propan-2-ol","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","4","","Burrett, Stacey; Taylor, Dennis K.; Tiekink, Edward R. T.","2-[(3<i>S</i>,3a<i>S</i>,5<i>R</i>,8<i>S</i>,8a<i>S</i>)-3,8-Dimethylhexahydro-1<i>H</i>,4<i>H</i>-3a,8a-epoxyazulen-5-yl]propan-2-ol","Acta Crystallographica Section E","2014","70","7","o776","o777","10.1107/S1600536814013543","","","1.54184","CuKα","","0.1039","0.1021","","","0.2759","0.278","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239697","6.4836","0.0006","9.6524","0.0009","14.439","0.001","81.178","0.007","89.72","0.007","77.488","0.008","871.35","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}ethanone","","- C20 H21 Cl N2 O -","- C20 H21 Cl N2 O -","- C40 H42 Cl2 N4 O2 -","2","1","HB7234","Narayana, B.; Salian, Vinutha V.; Sarojini, Balladka K.; Jasinski, Jerry P.","1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}ethanone","Acta Crystallographica Section E","2014","70","7","o781","","10.1107/S1600536814013348","","","1.54184","CuKα","","0.0564","0.0486","","","0.132","0.1415","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239698","7.9185","0.0007","8.6737","0.001","12.8952","0.0014","90","","101.629","0.001","90","","867.5","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(1,3-thiazol-2-aminium) hexachloridostannate(IV)","","- C6 H10 Cl6 N4 S2 Sn -","- C6 H10 Cl6 N4 S2 Sn -","- C12 H20 Cl12 N8 S4 Sn2 -","2","0.5","CV5462","Xue, Ruiting; Kong, Lingmin","Bis(1,3-thiazol-2-aminium) hexachloridostannate(IV)","Acta Crystallographica Section E","2014","70","7","m269","","10.1107/S1600536814014032","","","0.71073","MoKα","","0.0359","0.0289","","","0.074","0.0815","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239699","6.8911","0.0008","8.4435","0.001","8.6248","0.001","81.458","0.001","85.883","0.001","80.31","0.001","488.62","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Diazald","<i>N</i>-Methyl-<i>N</i>-nitroso-<i>p</i>-toluenesulfonamide","","- C8 H10 N2 O3 S -","- C8 H10 N2 O3 S -","- C16 H20 N4 O6 S2 -","2","1","FJ2674","Rai, Kartik; Wu, Vincent; Gupta, Priya; Laviska, David A.; Chan, Benny C.","<i>N</i>-Methyl-<i>N</i>-nitroso-<i>p</i>-toluenesulfonamide","Acta Crystallographica Section E","2014","70","7","o782","","10.1107/S1600536814013518","","","0.71073","MoKα","","0.0462","0.0374","","","0.0914","0.0962","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239700","15.6933","0.0009","9.2655","0.0003","19.1321","0.001","90","","112.654","0.006","90","","2567.3","0.2","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","(18-Crown-6)potassium(I) diphenylstibate(-1)","(1,4,7,10,13,16-Hexaoxacyclooctadecane)potassium diphenylstibide","","- C24 H34 K O6 Sb -","- C24 H34 K O6 Sb -","- C96 H136 K4 O24 Sb4 -","4","0.5","FF2129","Kaas, Marina; Friedrich, Ute; Korber, Nikolaus","(18-Crown-6)potassium(I) diphenylstibate({-}1)","Acta Crystallographica Section E","2014","70","7","m260","","10.1107/S1600536814013282","","","0.71073","MoKα","","0.0293","0.0232","","","0.0489","0.0534","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239701","3.824","0.006","6.111","0.009","19.962","0.01","81.83","0.07","88.82","0.07","87.04","0.12","461.1","1","100","","100","","","","","","","","","4","P -1","-P 1","2","","6-Chloro-7-methyl-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C11 H7 Cl O3 -","- C11 H7 Cl O3 -","- C22 H14 Cl2 O6 -","2","1","","Ishikawa, Yoshinobu","6-Chloro-7-methyl-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","7","o804","","10.1107/S1600536814014226","","","0.71069","MoKα","","","0.0339","","","","0.0943","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239702","15.666","0.002","11.4885","0.0016","9.7829","0.0014","90","","97.436","0.004","90","","1745.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromo-<i>N</i>-(3,5-di-<i>tert</i>-butylphenyl)propanamide","","- C17 H26 Br N O -","- C17 H26 Br N O -","- C68 H104 Br4 N4 O4 -","4","1","","Abo-Amer, Anwar; Al-Refai, Mahmoud; Puddephatt, Richard J.; Ali, Basem F.","3-Bromo-<i>N</i>-(3,5-di-<i>tert</i>-butylphenyl)propanamide","Acta Crystallographica Section E","2014","70","7","o770","","10.1107/S1600536814012094","","","0.71073","MoKα","","0.0874","0.0503","","","0.1256","0.145","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239703","16.9485","0.0017","11.0619","0.0011","6.8127","0.001","90","","90","","90","","1277.3","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","2',7'-Dibromospiro[cyclopropane-1,9'-fluorene]","","- C15 H10 Br2 -","- C15 H10 Br2 -","- C60 H40 Br8 -","4","0.25","CV5463","Xue, Yue-yuan; Qin, Yong-qi","2',7'-Dibromospiro[cyclopropane-1,9'-fluorene]","Acta Crystallographica Section E","2014","70","7","o821","","10.1107/S1600536814014585","","","0.71073","MoKα","","0.0536","0.0386","","","0.0952","0.1002","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239704","6.9117","0.0006","7.0898","0.0006","21.4784","0.0016","90","","90","","90","","1052.5","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-EDOT-aniline","4-(2,3-Dihydrothieno[3,4-<i>b</i>][1,4]dioxin-5-yl)aniline","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C48 H44 N4 O8 S4 -","4","1","LH5708","Mitchell, Lauren A.; Holliday, Bradley J.","4-(2,3-Dihydrothieno[3,4-<i>b</i>][1,4]dioxin-5-yl)aniline","Acta Crystallographica Section E","2014","70","7","o803","","10.1107/S1600536814014093","","","0.71075","MoKα","","0.0293","0.0286","","","0.0748","0.0752","","","","","","0.864","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239705","8.149","0.0007","7.7338","0.0007","14.5297","0.0013","90","","97.522","0.001","90","","907.82","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Cyano-<i>N</i>-methylpyridinium perchlorate","","- C7 H7 Cl N2 O4 -","- C7 H7 Cl N2 O4 -","- C28 H28 Cl4 N8 O16 -","4","1","HB7237","McCormick, Cameron A.; Nguyen, Vu D.; Koplitz, Lynn V.; Mague, Joel T.","3-Cyano-1-methylpyridinium nitrate","Acta Crystallographica Section E","2014","70","7","o811","","10.1107/S1600536814014421","","","0.71073","MoKα","","0.0342","0.0319","","","0.0862","0.0885","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239706","9.1807","0.0008","14.5892","0.0012","13.1649","0.001","90","","108.925","0.002","90","","1668","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(Pyridin-2-yl)amino]pyridinium 2,4,6-trinitrophenolate","","- C16 H12 N6 O7 -","- C16 H12 N6 O7 -","- C64 H48 N24 O28 -","4","1","","Ohui, Kateryna A.; Golenya, Irina A.; Bokach, Nadezhda A.","2-[(Pyridin-2-yl)amino]pyridinium 2,4,6-trinitrophenolate","Acta Crystallographica Section E","2014","70","7","o778","","10.1107/S1600536814012835","","","0.71073","MoKα","","0.0562","0.0434","","","0.0964","0.1024","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239707","30.9001","0.0003","9.9442","0.0005","18.526","0.0003","90","","124.962","0.003","90","","4665.3","0.3","150","1","150","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-[2,6-Bis(propan-2-yl)phenyl]-1,3-dicyclohexylguanidine","","- C25 H41 N3 -","- C25 H41 N3 -","- C200 H328 N24 -","8","1","KP2469","Chlupatý, Tomáš; Padělková, Zdeňka","2-[2,6-Bis(propan-2-yl)phenyl]-1,3-dicyclohexylguanidine","Acta Crystallographica Section E","2014","70","7","o785","","10.1107/S1600536814011611","","","0.71073","MoKα","","0.1207","0.0599","","","0.1103","0.1365","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239708","9.6622","0.0006","9.6622","0.0006","9.38","0.001","90","","90","","90","","875.7","0.12","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","Tetrapotassium tetra[nickel(II)/iron(III)] pentakis(orthophosphate)","","- Fe3.19 K3.84 Ni0.78 O20 P5 -","- Fe3.196 K3.84 Ni0.784 O20 P5 -","- Fe6.392 K7.68 Ni1.568 O40 P10 -","2","0.25","WM5027","Strutynska, Nataliia Yu.; Ogorodnyk, Ivan V.; Livitska, Oksana V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.","The solid solution K~3.84~Ni~0.78~Fe~3.19~(PO~4~)~5~","Acta Crystallographica Section E","2014","70","7","i39","i40","10.1107/S1600536814013609","","","0.71073","MoKα","","0.0455","0.0398","","","","0.0954","","","","","","1.04","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239709","10.15724","0.00013","10.15724","0.00013","10.15724","0.00013","90","","90","","90","","1047.92","0.02","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Dipotassium [nickel(II) zirconium(IV)] tris(orthophosphate)","","- K2 Ni0.5 O12 P3 Zr1.5 -","- K2 Ni0.5 O12 P3 Zr1.5 -","- K8 Ni2 O48 P12 Zr6 -","4","0.333333","WM5021","Zatovsky, Igor V.","Rietveld refinement of the langbeinite-type mixed-metal phosphate K~2~Ni~0.5~Zr~1.5~(PO~4~)~3~","Acta Crystallographica Section E","2014","70","7","i41","","10.1107/S1600536814013658","powder diffraction","","1.54187","CuKα","","0.035","","","","","","","","3.97","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239710","7.6407","0.0004","10.515","0.0005","12.3434","0.0005","67.1806","0.0013","72.9688","0.0013","70.0695","0.0014","844.42","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(Adamantan-1-yl)-4-benzyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C19 H23 N3 S -","- C19 H23 N3 S -","- C38 H46 N6 S2 -","2","1","SJ5408","Al-Omary, Fatmah A. M.; Ghabbour, Hazem A.; El-Emam, Ali A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","3-(Adamantan-1-yl)-4-benzyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2014","70","7","o766","o767","10.1107/S1600536814013257","","","0.71073","MoKα","","0.05","0.0461","","","0.1231","0.1266","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239711","8.0028","0.001","14.249","0.002","15.076","0.002","104.631","0.008","99.915","0.006","104.237","0.006","1561.2","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","2-[(<i>E</i>)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2<i>H</i>-1,2-benzothiazin-4-ylidene]acetic acid","","- C17 H12 F3 N O4 S -","- C17 H12 F3 N O4 S -","- C68 H48 F12 N4 O16 S4 -","4","2","","Zhu, Shaojuan; Parveen, Shagufta; Zhu, Changjin","2-[(<i>E</i>)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2<i>H</i>-1,2-benzothiazin-4-ylidene]acetic acid","Acta Crystallographica Section E","2014","70","7","o775","","10.1107/S1600536814013245","","","0.71073","MoKα","","0.0532","0.0421","","","0.1059","0.1141","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239712","14.761","0.006","14.761","0.006","7.17","0.003","90","","90","","90","","1562.3","1.1","150","2","150","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","<i>catena</i>-Poly[[<i>trans</i>-bis(1,3-benzothiazole-κ<i>N</i>)manganese(II)]-di-μ-chlorido]","","- C14 H10 Cl2 Mn N2 S2 -","- C14 H10 Cl2 Mn N2 S2 -","- C56 H40 Cl8 Mn4 N8 S8 -","4","0.25","LH5716","Bouchareb, Hasna; Benmebarek, Sabrina; Bouacida, Sofiane; Merazig, Hocine; Boudraa, Mhamed","<i>catena</i>-Poly[[<i>trans</i>-bis(1,3-benzothiazole-κ<i>N</i>)manganese(II)]-di-μ-chlorido]","Acta Crystallographica Section E","2014","70","7","m275","","10.1107/S1600536814014159","","","0.71073","MoKα","","0.065","0.0422","","","0.0843","0.0917","","","","","","1.14","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239713","6.6643","0.0012","8.395","0.005","14.247","0.004","90","","97.865","0.016","90","","789.6","0.5","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H5 F O3 -","- C10 H5 F O3 -","- C40 H20 F4 O12 -","4","1","","Ishikawa, Yoshinobu","8-Fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","7","o774","","10.1107/S1600536814013208","","","0.71069","MoKα","","","0.0384","","","","0.1094","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239714","14.6846","0.0006","10.3997","0.0004","13.1961","0.0004","90","","103.501","0.004","90","","1959.56","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-{4-[Bis(4-bromophenyl)amino]benzylidene}malononitrile","2-{4-[Bis(4-bromophenyl)amino]benzylidene}propanedinitrile","","- C22 H13 Br2 N3 -","- C22 H13 Br2 N3 -","- C88 H52 Br8 N12 -","4","1","","Zhang, Yu-Jian; Ni, Sheng-Liang","2-{4-[Bis(4-bromophenyl)amino]benzylidene}malononitrile","Acta Crystallographica Section E","2014","70","7","o798","","10.1107/S1600536814013816","","","0.71073","MoKα","","0.0691","0.0406","","","0.0815","0.0939","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239715","5.0202","0.0003","25.0471","0.0012","12.243","0.0006","90","","100.34","0.002","90","","1514.45","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Bromo-3-ethylsulfinyl-2-(4-methylphenyl)-1-benzofuran","","- C17 H15 Br O2 S -","- C17 H15 Br O2 S -","- C68 H60 Br4 O8 S4 -","4","1","FF2130","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-3-ethylsulfinyl-2-(4-methylphenyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","7","o808","","10.1107/S1600536814014470","","","0.71073","MoKα","","0.0674","0.0522","","","0.1296","0.139","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239716","8.3893","0.0004","8.4679","0.0005","10.2571","0.0006","93.148","0.004","112.478","0.003","93.929","0.003","669.12","0.07","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","2,6-Diamino-4-(4-chlorophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarbonitrile","","- C14 H12 Cl N5 -","- C14 H12 Cl N5 -","- C28 H24 Cl2 N10 -","2","1","HB7240","Purushothaman, Michael; Thanigaimani, Kaliyaperumal; Arshad, Suhana; Silambarasan, Sekar; Razak, Ibrahim Abdul; Ali, Kather Mohideen Sithick","2,6-Diamino-4-(4-chlorophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2014","70","7","o812","o813","10.1107/S1600536814014354","","","0.71073","MoKα","","0.088","0.0722","","","0.1954","0.2069","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239717","4.483","0.004","12.151","0.009","18.958","0.013","75.807","0.018","87.67","0.03","89.62","0.02","1000.3","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","6-Bromo-<i>N</i>-(6-bromopyridin-2-yl)-<i>N</i>-[4-(2,3-dihydrothieno[3,4-<i>b</i>][1,4]dioxin-5-yl)phenyl]pyridin-2-amine","","- C22 H15 Br2 N3 O2 S -","- C22 H15 Br2 N3 O2 S -","- C44 H30 Br4 N6 O4 S2 -","2","1","LH5709","Mitchell, Lauren A.; Holliday, Bradley J.","6-Bromo-<i>N</i>-(6-bromopyridin-2-yl)-<i>N</i>-[4-(2,3-dihydrothieno[3,4-<i>b</i>][1,4]dioxin-5-yl)phenyl]pyridin-2-amine","Acta Crystallographica Section E","2014","70","7","o797","","10.1107/S1600536814013191","","","0.71075","MoKα","","0.0652","0.0505","","","0.1203","0.1278","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239718","8.3545","0.0007","12.9503","0.0011","34.291","0.002","90","","90","","90","","3710.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{4-Amino-<i>N</i>'-[(2-oxidonaphthalen-1-yl)methylidene]benzohydrazidato}dimethyltin(IV)","","- C20 H19 N3 O2 Sn -","- C20 H19 N3 O2 Sn -","- C160 H152 N24 O16 Sn8 -","8","1","CV5466","Cheng, Miao; Zhao, Yuhong; Dong, Tiantian; Cui, Jichun","{4-Amino-<i>N</i>'-[(2-oxidonaphthalen-1-yl)methylidene]benzohydrazidato}dimethyltin(IV)","Acta Crystallographica Section E","2014","70","7","m283","","10.1107/S1600536814014652","","","0.71073","MoKα","","0.0765","0.0515","","","0.1059","0.121","","","","","","1.136","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239719","10.396","0.005","12.441","0.005","12.316","0.005","90","","105.502","0.005","90","","1535","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2,6,6-Tetrabromo-3,4,4,5-tetramethoxycyclohexanone","","- C10 H14 Br4 O5 -","- C10 H14 Br4 O5 -","- C40 H56 Br16 O20 -","4","1","ZS2305","Faizi, Md. Serajul Haque; Mashrai, Ashraf; Shahid, M.","2,2,6,6-Tetrabromo-3,4,4,5-tetramethoxycyclohexanone","Acta Crystallographica Section E","2014","70","7","o826","","10.1107/S160053681401472X","","","0.71073","MoKα","","0.0408","0.0325","","","0.0815","0.0861","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239720","7.558","0.0007","8.6854","0.0008","12.252","0.0011","78.363","0.001","78.762","0.001","80.355","0.001","765.72","0.12","125","2","125","2","","","","","","","","4","P -1","-P 1","2","4-chloro-3-ethylphenol","4-chloro-3-ethylphenol","","- C8 H9 Cl O -","- C8 H9 Cl O -","- C32 H36 Cl4 O4 -","4","2","","Majer, Sean H.; Tanski, Joseph M.","4-Chloro-3-ethylphenol","Acta Crystallographica Section E","2014","70","7","o801","","10.1107/S1600536814013919","","","0.71073","MoKα","","0.0409","0.0367","","","0.1049","0.1072","","","","","","1.127","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239721","16.493","0.001","9.7017","0.0005","17.908","0.001","90","","102.426","0.006","90","","2798.3","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(μ~4~-benzene-1,3,5-tricarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2^:<i>O</i>^3^)bis(2,2-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~2~-hydroxido)dicopper(II)] trihydrate]","","- C29 H26 Cu2 N4 O10 -","- C29 H26 Cu2 N4 O10 -","- C116 H104 Cu8 N16 O40 -","4","1","","El-kaheli, Mohamed N.; El-mehdawi, Ramadan M.; Abuhmaiera, Ramadan G.; Ben Younes, Mufida M.; Treish, Fathia A.; Guerri, Annalisa; Bazzicalupi, Carla","Poly[[(μ~4~-benzene-1,3,5-tricarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2^:<i>O</i>^3^)bis(2,2-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~2~-hydroxido)dicopper(II)] trihydrate]","Acta Crystallographica Section E","2014","70","7","m270","m271","10.1107/S1600536814013877","","","0.71073","MoKα","","0.0696","0.0419","","","0.0938","0.099","","","","","","0.938","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239722","28.018","0.005","9.196","0.005","15.396","0.005","90","","93.376","0.005","90","","3960","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 6-amino-5-cyano-4-phenyl-2,4-dihydropyrano[2,3-<i>c</i>]pyrazole-3-carboxylate dimethyl sulfoxide monosolvate","","- C18 H20 N4 O4 S -","- C18 H20 N4 O4 S -","- C144 H160 N32 O32 S8 -","8","2","","Sharma, Naresh; Brahmachari, Goutam; Banerjee, Bubun; Kant, Rajni; Gupta, Vivek K.","Ethyl 6-amino-5-cyano-4-phenyl-2,4-dihydropyrano[2,3-<i>c</i>]pyrazole-3-carboxylate dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2014","70","7","o795","o796","10.1107/S1600536814013270","","","0.71073","MoKα","","0.1278","0.0677","","","0.1638","0.2102","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239723","9.2647","0.0003","12.926","0.0004","22.0729","0.0007","90","","90","","90","","2643.35","0.15","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,1-Diacetylferrocene dihydrazone","","- C14 H18 Fe N4 -","- C14 H18 Fe N4 -","- C112 H144 Fe8 N32 -","8","2","RK2429","Shikhaliyev, Namig G.; Gurbanov, Atash V.; Muzalevsky, Vasily M.; Nenajdenko, Valentine G.; Khrustalev, Victor N.","1,1-Diacetylferrocene dihydrazone","Acta Crystallographica Section E","2014","70","8","m286","m287","10.1107/S1600536814014366","","","0.71073","MoKα","","0.0346","0.0309","","","0.0773","0.0801","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239724","7.2292","0.0004","8.9572","0.0005","9.5224","0.0005","70.051","0.001","68.712","0.001","70.136","0.001","523.39","0.05","213","2","213","2","","","","","","","","4","P -1","-P 1","2","Dibenzotetrathiafulvalene‒pyromellitic dianhydride; DBTTF‒PMDA","Dibenzotetrathiafulvalene‒pyromellitic dianhydride (1/1)","","- C24 H10 O6 S4 -","- C24 H10 O6 S4 -","- C24 H10 O6 S4 -","1","0.5","PK2526","Payne, Margaret E.; Goetz, Katelyn P.; Day, Cynthia S.; Jurchescu, Oana D.","The 1:1 charge-transfer complex dibenzotetrathiafulvalene‒pyromellitic dianhydride (DBTTF‒PMDA)","Acta Crystallographica Section E","2014","70","8","o844","o845","10.1107/S1600536814013324","","","0.71073","MoKα","","0.0367","0.032","","","0.0856","0.0909","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239725","8.0844","0.0001","16.9103","0.0003","15.6815","0.0003","90","","98.055","0.001","90","","2122.66","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[hexaaquasesqui(μ-benzene-1,2,4,5-tetracarboxylato)dicopper(II)disodium] monohydrate]","","- C15 H17 Cu2 Na2 O19 -","- C15 H13 Cu2 Na2 O19 -","- C60 H52 Cu8 Na8 O76 -","4","1","PK2525","Camara, Magatte; Keita, Mohamed Fadel; Cisse, Cherif Cheikh Samsidine; Daiguebonne, Carole; Guillou, Olivier","Poly[[hexaaquasesqui(μ-benzene-1,2,4,5-tetracarboxylato)dicopper(II)disodium] monohydrate]","Acta Crystallographica Section E Structure Reports Online","2014","70","8","m284","","10.1107/S1600536814014755","","","0.71073","MoKα","","0.1312","0.0488","","","0.1193","0.1438","","","","","","0.943","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239726","6.5427","0.0003","10.8219","0.0005","19.8397","0.001","90","","90","","90","","1404.74","0.12","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5<i>R</i>*)-5-[(2<i>S</i>*,5<i>S</i>*)-1-Methoxy-5-phenylpyrrolidin-2-yl]-3-methylfuran-2(5<i>H</i>)-one","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","IS5367","Oishi, Takeshi; Yoritate, Makoto; Sato, Takaaki; Chida, Noritaka","(5<i>R</i>*)-5-[(2<i>S</i>*,5<i>S</i>*)-1-Methoxy-5-phenylpyrrolidin-2-yl]-3-methylfuran-2(5<i>H</i>)-one","Acta Crystallographica Section E","2014","70","8","o839","","10.1107/S1600536814014974","","","0.71073","MoKα","","0.0323","0.0309","","","0.0748","0.0754","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239727","3.823","0.002","5.973","0.003","18.386","0.008","85.99","0.04","87.74","0.04","86.58","0.04","417.8","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","7-Chloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H5 Cl O3 -","- C10 H5 Cl O3 -","- C20 H10 Cl2 O6 -","2","1","","Ishikawa, Yoshinobu","7-Chloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","8","o831","","10.1107/S1600536814014925","","","0.71069","MoKα","","","0.0366","","","","0.1036","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239728","20.7595","0.0016","20.78","0.0016","28.427","0.002","90","","100.489","0.002","90","","12058","1.6","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","3-Methylbenzo[1,2-<i>c</i>:5,4-<i>c</i>']dichromen-6(8<i>H</i>)-one","","- C21 H14 O3 -","- C21 H14 O3 -","- C672 H448 O96 -","32","8","SU2746","Kayalvizhi, M.; Vasuki, G.; Khatri, Adil I.; Samant, Shriniwas D.","3-Methylbenzo[1,2-<i>c</i>:5,4-<i>c</i>']dichromen-6(8<i>H</i>)-one","Acta Crystallographica Section E","2014","70","8","o838","","10.1107/S1600536814015001","","","0.71073","MoKα","","0.15","0.0826","","","0.2289","0.2894","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239729","14.4204","0.0009","10.0329","0.0006","18.4597","0.0011","90","","101.423","0.001","90","","2617.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-{Phenyl[4-(6-phenyl-2,2'-bipyridin-4-yl)phenyl]amino}benzaldehyde","","- C35 H25 N3 O -","- C35 H25 N3 O -","- C140 H100 N12 O4 -","4","1","","Zhang, Yu-yang; Pan, Jian-Ting; Huang, Jian-Yan","4-{Phenyl[4-(6-phenyl-2,2'-bipyridin-4-yl)phenyl]amino}benzaldehyde","Acta Crystallographica Section E","2014","70","8","o840","","10.1107/S1600536814013361","","","0.71073","MoKα","","0.0586","0.0392","","","0.0857","0.0967","","","","","","0.994","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239730","23.5695","0.0018","6.8115","0.0005","7.5327","0.0006","90","","90.325","0.003","90","","1209.31","0.16","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[μ~6~-(naphthalene-2,6-dicarboxylato)-bis(aqualithium)]","","- C12 H10 Li2 O6 -","- C12 H10 Li2 O6 -","- C48 H40 Li8 O24 -","4","0.5","PJ2011","Fédèle, Lionel; Sauvage, Frédéric; Becuwe, Matthieu; Chotard, Jean-Noël","Poly[μ~6~-(naphthalene-2,6-dicarboxylato)-bis(aqualithium)]","Acta Crystallographica Section E","2014","70","8","m288","","10.1107/S1600536814013130","","","0.71073","MoKα","","0.0695","0.0433","","","0.0996","0.1093","","","","","","1.056","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2239731","7.19","0.0004","12.4811","0.0006","15.8685","0.0008","90","","99.453","0.001","90","","1404.69","0.13","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Fluoroindan-1-one","","- C9 H7 F O -","- C9 H7 F O -","- C72 H56 F8 O8 -","8","2","KJ2241","Slaw, Benjamin R.; Tanski, Joseph M.","6-Fluoroindan-1-one","Acta Crystallographica Section E","2014","70","8","o841","","10.1107/S1600536814015049","","","0.71073","MoKα","","0.0555","0.0414","","","0.11","0.1207","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239732","17.9533","0.0007","13.5533","0.0007","8.1417","0.0004","90","","95.785","0.002","90","","1971","0.16","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,12-Dimethoxy-5,6,9,10-tetrahydro-[5]helicene-7,8-dicarbonitrile","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","0.5","NR2052","Sahasithiwat, Somboon; Sooksimuang, Thanasat; Kamtonwong, Siriporn; Parnchan, Waraporn; Kangkaew, Laongdao","3,12-Dimethoxy-5,6,9,10-tetrahydro-[5]helicene-7,8-dicarbonitrile","Acta Crystallographica Section E","2014","70","8","o837","","10.1107/S1600536814014950","","","0.71073","MoKα","","0.0584","0.0421","","","0.1171","0.1365","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239733","12.2678","0.0005","16.0544","0.0006","12.9903","0.0005","90","","104.448","0.002","90","","2477.55","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β-Hydroxy-28-norolea-12,17-dien-11-one","","- C29 H44 O2 -","- C29 H44 O2 -","- C116 H176 O8 -","4","2","FY2111","Seebacher, Werner; Weis, Robert; Faist, Johanna; Saf, Robert; Belaj, Ferdinand","3β-Hydroxy-28-norolea-12,17-dien-11-one","Acta Crystallographica Section E","2014","70","8","o842","","10.1107/S1600536814014998","","","0.71073","MoKα","","0.0474","0.0378","","","0.0948","0.1025","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239734","7.782","0.003","9.015","0.005","14.991","0.006","103.17","0.05","96.51","0.03","95.52","0.04","1009.3","0.8","100","","100","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3,4,5-Trimethoxy-<i>N</i>'-[(6-methoxy-4-oxo-4<i>H</i>-chromen-3-yl)methylidene]benzohydrazide monohydrate","","- C21 H22 N2 O8 -","- C21 H22 N2 O8 -","- C42 H44 N4 O16 -","2","1","","Ishikawa, Yoshinobu; Watanabe, Kohzoh","(<i>E</i>)-3,4,5-Trimethoxy-<i>N</i>'-[(6-methoxy-4-oxo-4<i>H</i>-chromen-3-yl)methylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2014","70","8","o832","","10.1107/S1600536814014937","","","0.71069","MoKα","","","0.0764","","","","0.2303","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239735","14.0172","0.0003","7.83649","0.00015","17.2076","0.0003","90","","103.772","0.002","90","","1835.84","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-<i>tert</i>-butyl 1-[2-hydroxy-3-(methylsulfanyl)propyl]hydrazine-1,2-dicarboxylate","","- C14 H28 N2 O5 S -","- C14 H28 N2 O5 S -","- C56 H112 N8 O20 S4 -","4","1","","Bai, Xiao-Guang; Yang, Xiao-Yu; Wang, Ju-Xian","Di-<i>tert</i>-butyl 1-[2-hydroxy-3-(methylsulfanyl)propyl]hydrazine-1,2-dicarboxylate","Acta Crystallographica Section E","2014","70","8","o843","","10.1107/S1600536814015062","","","1.54184","CuKα","","0.0676","0.0628","","","0.1814","0.187","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239736","32.413","0.013","6.196","0.003","25.964","0.011","90","","100.258","0.007","90","","5131","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,3-Diphenyl-1,3-thiazolidin-4-one","","- C15 H13 N O S -","- C15 H13 N O S -","- C240 H208 N16 O16 S16 -","16","2","FY2114","Yennawar, Hemant P.; Tierney, John; Silverberg, Lee J.","2,3-Diphenyl-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2014","70","8","o847","","10.1107/S1600536814015128","","","0.71073","MoKα","","0.0613","0.0493","","","0.1379","0.1466","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239737","7.1328","0.0013","8.0738","0.0015","17.868","0.003","102.142","0.016","94.325","0.015","95.212","0.015","997.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","5-Hydroxy-2-nitrobenzaldehyde thiosemicarbazone","","- C8 H8 N4 O3 S -","- C8 H8 N4 O3 S -","- C32 H32 N16 O12 S4 -","4","2","DS2241","Reddy, M. Sivasankar; Sarala, Y.; Jagadeesh, M.; Das, Samar K.; Ammireddy, Varada Reddy","5-Hydroxy-2-nitrobenzaldehyde thiosemicarbazone (HNBATSC)","Acta Crystallographica Section E","2014","70","8","o846","","10.1107/S1600536814015098","","","0.71073","MoKα","","0.1453","0.0651","","","0.0992","0.137","","","","","","0.994","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239738","31.9861","0.0008","5.9668","0.0002","22.6135","0.0005","90","","134.885","0.001","90","","3057.92","0.15","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{2-methoxy-6-[(<i>E</i>)-(4-methylbenzyl)iminomethyl]phenolato}palladium(II) chloroform monosolvate","","- C33 H33 Cl3 N2 O4 Pd -","- C33 H33 Cl3 N2 O4 Pd -","- C132 H132 Cl12 N8 O16 Pd4 -","4","0.5","SJ5416","Bahron, Hadariah; Tajuddin, Amalina Mohd; Ibrahim, Wan Nazihah Wan; Chantrapromma, Suchada; Fun, Hoong-Kun","Bis{2-methoxy-6-[(<i>E</i>)-(4-methylbenzyl)iminomethyl]phenolato}palladium(II) chloroform monosolvate","Acta Crystallographica Section E","2014","70","8","m289","m290","10.1107/S1600536814015025","","","0.71073","MoKα","","0.0323","0.0288","","","0.0693","0.0729","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239739","7.3887","0.0008","11.1147","0.0012","11.7274","0.0013","78.583","0.006","85.239","0.006","76.342","0.006","916.67","0.18","91","2","91","2","","","","","","","","5","P -1","-P 1","2","","[μ~2~-η^2^,η^2^-4-Hydroxybut-2-yn-1-yl 2-bromo-2-methylpropanoate-κ^4^<i>C</i>^2^,<i>C</i>^3^:<i>C</i>^2^,<i>C</i>^3^]bis[tricarbonylcobalt(II)](<i>Co</i>—<i>Co</i>)","","- C14 H11 Br Co2 O9 -","- C14 H11 Br Co2 O9 -","- C28 H22 Br2 Co4 O18 -","2","1","HB0001","McAdam, C. John; Moratti, Stephen C.; Robinson, Brian H.; Simpson, Jim; Stanley, Roderick G.","Crystal structures of (μ~2~-η^2^,η^2^-4-hydroxybut-2-yn-1-yl 2-bromo-2-methylpropanoate-κ^4^<i>C</i>^2^,<i>C</i>^3^:<i>C</i>^2^,<i>C</i>^3^)bis[tricarbonylcobalt(II)](<i>Co{—</i>Co}) and [μ~2~-η^2^,η^2^-but-2-yne-1,4-diyl bis(2-bromo-2-methylpropanoate)-κ^4^<i>C</i>^2^,<i>C</i>^3^:<i>C</i>^2^,<i>C</i>^3^]bis[tricarbonylcobalt(II)](<i>Co{—</i>Co})","Acta Crystallographica Section E","2014","70","7","9","13","10.1107/S1600536814009659","","","0.71073","MoKα","","0.0541","0.0375","","","0.09","0.0973","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239740","9.392","0.005","10.71","0.005","13.269","0.005","71.314","0.005","71.973","0.005","84.63","0.005","1202.3","1","91","2","91","2","","","","","","","","5","P -1","-P 1","2","","[μ~2~-η^2^,η^2^-But-2-yne-1,4-diyl bis(2-bromo-2-methylpropanoate)-κ^4^<i>C</i>^2^,<i>C</i>^3^:<i>C</i>^2^,<i>C</i>^3^]bis[tricarbonylcobalt(II)](<i>Co</i>—<i>Co</i>)","","- C18 H16 Br2 Co2 O10 -","- C18 H16 Br2 Co2 O10 -","- C36 H32 Br4 Co4 O20 -","2","1","HB0001","McAdam, C. John; Moratti, Stephen C.; Robinson, Brian H.; Simpson, Jim; Stanley, Roderick G.","Crystal structures of (μ~2~-η^2^,η^2^-4-hydroxybut-2-yn-1-yl 2-bromo-2-methylpropanoate-κ^4^<i>C</i>^2^,<i>C</i>^3^:<i>C</i>^2^,<i>C</i>^3^)bis[tricarbonylcobalt(II)](<i>Co{—</i>Co}) and [μ~2~-η^2^,η^2^-but-2-yne-1,4-diyl bis(2-bromo-2-methylpropanoate)-κ^4^<i>C</i>^2^,<i>C</i>^3^:<i>C</i>^2^,<i>C</i>^3^]bis[tricarbonylcobalt(II)](<i>Co{—</i>Co})","Acta Crystallographica Section E","2014","70","7","9","13","10.1107/S1600536814009659","","","0.71069","MoKα","","0.0529","0.0312","","","0.0613","0.0689","","","","","","0.945","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239741","22.7542","0.0008","9.754","0.0003","14.0139","0.0005","90","","95.542","0.003","90","","3095.77","0.18","199.9","0.2","199.9","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chlorido(piperidine-k<i>N</i>)(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)platinum(II)","","- C15 H17 Cl N2 O2 Pt -","- C15 H17 Cl N2 O2 Pt -","- C120 H136 Cl8 N16 O16 Pt8 -","8","1","WM0005","Nguyen Thi Thanh, Chi; Nguyen Bich, Ngan; Van Meervelt, Luc","Crystal structure of chlorido(piperidine-κ<i>N</i>)(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)platinum(II)","Acta Crystallographica Section E","2014","70","7","36","38","10.1107/S160053681401191X","","","0.7107","MoKα","","0.0177","0.015","","","0.033","0.0345","","","","","","1.118","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239742","5.4293","0.0006","5.5678","0.0006","10.4945","0.0012","101.508","0.003","104.544","0.003","97.057","0.003","295.86","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","2,5-Diazido-1,4-phenylene diacetate","","- C10 H8 N6 O4 -","- C10 H8 N6 O4 -","- C10 H8 N6 O4 -","1","0.5","","Glöcklhofer, Florian; Fröhlich, Johannes; Stöger, Berthold; Weil, Matthias","Crystal structures of 2,5-diazido-1,4-phenylene diacetate and 2,5-diazido-1,4-phenylene dibutyrate","Acta Crystallographica Section E","2014","70","7","39","42","10.1107/S1600536814013762","","","0.71073","MoKα","","0.0365","0.0337","","","0.0553","0.0558","","","","","","3.22","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239743","11.5875","0.0019","5.1485","0.0008","14.327","0.002","90","","108.496","0.005","90","","810.6","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Diazido-1,4-phenylene dibutyrate","","- C14 H16 N6 O4 -","- C14 H16 N6 O4 -","- C28 H32 N12 O8 -","2","0.5","","Glöcklhofer, Florian; Fröhlich, Johannes; Stöger, Berthold; Weil, Matthias","Crystal structures of 2,5-diazido-1,4-phenylene diacetate and 2,5-diazido-1,4-phenylene dibutyrate","Acta Crystallographica Section E","2014","70","7","39","42","10.1107/S1600536814013762","","","0.71073","MoKα","","0.0769","0.0422","","","0.0462","0.0478","","","","","","2.15","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239744","18.945","0.002","7.0277","0.0008","5.4402","0.0006","90","","90","","90","","724.31","0.14","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Ammonium divanadium(IV,V) tellurium(IV) heptaoxide","","- H4 N O7 Te V2 -","- N O7 Te V2 -","- N4 O28 Te4 V8 -","4","1","WM0003","Harrison, William T. A.; Johnston, Magnus G.","Crystal structure of ammonium divanadium(IV,V) tellurium(IV) heptaoxide","Acta Crystallographica Section E","2014","70","7","27","30","10.1107/S1600536814011015","","","0.71073","MoKα","","0.0742","0.0397","","","0.0743","0.0823","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239745","6.5982","0.0001","6.6074","0.0001","34.4574","0.0006","90","","94.809","0.001","90","","1496.95","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Diazabicyclo[2.2.2]octan-1-ium 4-nitrobenzoate dihydrate","","- C13 H21 N3 O6 -","- C13 H21 N3 O6 -","- C52 H84 N12 O24 -","4","1","SU0005","Akhmad Aznan, Aina Mardia; Abdullah, Zanariah; Tiekink, Edward R. T.","Crystal structures of 1,4-diazabicyclo[2.2.2]octan-1-ium 4-nitrobenzoate dihydrate and 1,4-diazabicyclo[2.2.2]octane-1,4-diium bis(4-nitrobenzoate): the influence of solvent upon the stoichiometry of the formed salt","Acta Crystallographica Section E","2014","70","7","31","35","10.1107/S1600536814011532","","","1.54184","CuKα","","0.04","0.0388","","","0.0983","0.0992","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239746","9.1036","0.0004","9.5027","0.0003","12.0736","0.0003","73.982","0.003","83.624","0.003","88.661","0.003","997.68","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(4-nitrobenzoate)","","- C20 H22 N4 O8 -","- C20 H22 N4 O8 -","- C40 H44 N8 O16 -","2","1","SU0005","Akhmad Aznan, Aina Mardia; Abdullah, Zanariah; Tiekink, Edward R. T.","Crystal structures of 1,4-diazabicyclo[2.2.2]octan-1-ium 4-nitrobenzoate dihydrate and 1,4-diazabicyclo[2.2.2]octane-1,4-diium bis(4-nitrobenzoate): the influence of solvent upon the stoichiometry of the formed salt","Acta Crystallographica Section E","2014","70","7","31","35","10.1107/S1600536814011532","","","1.54184","CuKα","","0.0762","0.0736","","","0.2262","0.2292","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239747","4.1527","0.0004","20.4629","0.0018","12.0106","0.0011","90","","91.461","0.011","90","","1020.28","0.16","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(Pyridin-2-ylmethyl)pyrazine-2-carboxamide","","- C11 H10 N4 O -","- C11 H10 N4 O -","- C44 H40 N16 O4 -","4","1","HB0007","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structures of <i>N</i>-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (monoclinic polymorph) and <i>N</i>-(pyridin-4-ylmethyl)pyrazine-2-carboxamide","Acta Crystallographica Section E","2014","70","7","18","22","10.1107/S1600536814009519","","","0.71073","MoKα","","0.0421","0.0319","","","0.0843","0.0877","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239748","13.8564","0.0014","11.1841","0.0011","6.9122","0.001","90","","104.356","0.014","90","","1037.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(Pyridin-4-ylmethyl)pyrazine-2-carboxamide","","- C11 H10 N4 O -","- C11 H10 N4 O -","- C44 H40 N16 O4 -","4","1","HB0007","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structures of <i>N</i>-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (monoclinic polymorph) and <i>N</i>-(pyridin-4-ylmethyl)pyrazine-2-carboxamide","Acta Crystallographica Section E","2014","70","7","18","22","10.1107/S1600536814009519","","","0.71073","MoKα","","0.1025","0.0542","","","0.108","0.1272","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239749","8.9653","0.0009","9.2113","0.0009","12.8052","0.0013","90","","101.042","0.002","90","","1037.9","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trilead(II) bis[dihydroxidotetraoxidoiodate(VII)]","","- H4 I2 O12 Pb3 -","- I2 O12 Pb3 -","- I8 O48 Pb12 -","4","1","HB0004","Weil, Matthias","Crystal structure of Pb~3~(IO~4~(OH)~2~)~2~","Acta Crystallographica Section E","2014","70","7","14","17","10.1107/S1600536814009520","","","0.71073","MoKα","","0.0557","0.0412","","","0.0825","0.0872","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239750","7.8256","0.0012","22.331","0.002","8.9976","0.0013","90","","110.04","0.016","90","","1477.2","0.4","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[[(acetato-κ<i>O</i>){μ~3~-<i>N</i>-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ^4^<i>N</i>:<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^4^]copper(II)] dihydrate]","","- C13 H16 Cu N4 O5 -","- C13 H16 Cu N4 O5 -","- C52 H64 Cu4 N16 O20 -","4","1","HB0008","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structure of poly[[(acetato-κO){μ3-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ4N:N1,N2:N4]copper(II)] dihydrate]: a metal‒organic framework (MOF)","Acta Crystallographica Section E Structure Reports Online","2014","70","7","23","","10.1107/S1600536814011520","","","0.71073","MoKα","","0.0765","0.0395","","","0.0643","0.0715","","","","","","0.777","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2239751","7.288","0.0002","8.9214","0.0003","9.8192","0.0003","66.258","0.001","73.778","0.001","84.468","0.001","561.04","0.03","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-amino-4-phenyl-1,3-thiazol-3-ium) tetrachloridopalladate(II)","","- C18 H18 Cl4 N4 Pd S2 -","- C18 H18 Cl4 N4 Pd S2 -","- C18 H18 Cl4 N4 Pd S2 -","1","0.5","PJ2013","Reyes-Martínez, Reyna; Carballo, Rubén M.; Mena-Rejón, Gonzalo J.; Hernández-Ortega, Simón; Cáceres-Castillo, David","Bis(2-amino-4-phenyl-1,3-thiazol-3-ium) tetrachloridopalladate(II)","Acta Crystallographica Section E","2014","70","8","m295","","10.1107/S1600536814015360","","","0.71073","MoKα","","0.0204","0.0195","","","0.0501","0.0508","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239752","22.782","0.005","7.144","0.005","8.857","0.005","90","","100.189","0.005","90","","1418.8","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(2-methylphenyl)acetamide","","- C13 H15 N5 O S -","- C13 H15 N5 O S -","- C52 H60 N20 O4 S4 -","4","1","SU2743","Subasri, S.; Kumar, Timiri Ajay; Sinha, Barji Nayan; Jayaprakash, Venkatesh; Velmurugan, Devadasan","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(2-methylphenyl)acetamide","Acta Crystallographica Section E","2014","70","8","o850","","10.1107/S1600536814015256","","","0.71073","MoKα","","0.0534","0.0393","","","0.117","0.1283","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239753","21.578","0.003","5.6521","0.0004","13.8629","0.0017","90","","118.415","0.017","90","","1487","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Allylammonium hydrogen oxalate hemihydrate","","- C5 H10 N O4.5 -","- C5 H10 N O4.5 -","- C40 H80 N8 O36 -","8","1","HB7243","Dziuk, Błażej; Zarychta, Bartosz; Ejsmont, Krzysztof","Allylammonium hydrogen oxalate hemihydrate","Acta Crystallographica Section E","2014","70","8","o852","","10.1107/S1600536814015190","","","0.71073","MoKα","","0.0636","0.0428","","","0.0929","0.098","","","","","","0.902","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239754","12.1812","0.001","10.0713","0.0007","11.3628","0.001","90","","91.011","0.008","90","","1393.78","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)]-μ~2~-imidazol-1-ido-κ^2^<i>N</i>:<i>N</i>'] nitrate]","","- C9 H11 N7 O3 Zn -","- C9 H11 N7 O3 Zn -","- C36 H44 N28 O12 Zn4 -","4","1","SU2723","Govindhan, Elumalai; Ganeshraja, A. S.; Bhavana, B.; Anbalagan, Krishnamoorthy; SubbiahPandi, Arunachalam","<i>catena</i>-Poly[[[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)]-μ~2~-imidazol-1-ido-κ^2^<i>N</i>:<i>N</i>'] nitrate]","Acta Crystallographica Section E","2014","70","8","m298","m299","10.1107/S1600536814015232","","","0.71073","MoKα","","0.051","0.033","","","0.0745","0.083","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239755","19.065","0.002","28.668","0.004","11.88","0.0014","90","","90","","90","","6493.1","1.4","273","2","273","2","","","","","","","","4","A b a 2","A 2 -2ab","41","Z-1,4-dione","(<i>Z</i>)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione","","- C16 H8 Cl4 O2 -","- C16 H8 Cl4 O2 -","- C256 H128 Cl64 O32 -","16","","","Tittal, Ram K.; Kumar, Satish; Ram, R. N.","(<i>Z</i>)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione","Acta Crystallographica Section E","2014","70","8","o861","o862","10.1107/S1600536814015463","","","0.71073","MoKα","","0.0767","0.0652","","","0.1366","0.1454","","","","","","1.134","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239756","23.076","0.0005","9.938","0.0003","27.0341","0.0007","90","","108.428","0.002","90","","5881.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Amide Cyclophane","8,18-Dithia-2,6-diaza-13(1,4)-piperidina-1(1,2),4(1,3),7(1,2)-tribenzenaoctadecaphane-10,15-diyne-3,6-dione","","- C32 H30 N4 O2 S2 -","- C32 H30 N4 O2 S2 -","- C256 H240 N32 O16 S16 -","8","1","SU2737","Viswanathan, Vijayan; Thirunarayanan, Ayyavu; Rajakumar, Perumal; Velmurugan, Devadasan","An amide cyclophane","Acta Crystallographica Section E","2014","70","8","o865","","10.1107/S1600536814015621","","","0.71073","MoKα","","0.0976","0.0422","","","0.094","0.1167","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239757","8.9356","0.0007","10.8873","0.0008","19.3122","0.0014","90","","99.472","0.002","90","","1853.2","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Methyl-<i>N</i>-{2-[(<i>E</i>)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}benzenesulfonamide","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","XU5798","Kim, Sung-Gon","4-Methyl-<i>N</i>-{2-[(<i>E</i>)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}benzenesulfonamide","Acta Crystallographica Section E","2014","70","8","o851","","10.1107/S1600536814015311","","","0.71073","MoKα","","0.1328","0.0566","","","0.1167","0.1542","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239758","10.9998","0.0004","17.8613","0.0006","26.6592","0.0009","90","","97.9013","0.0011","90","","5188","0.3","115","","115","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ^4^<i>N</i>]iron(III) trifluoromethanesulfonate‒4-hydroxy-3-methoxybenzaldehyde‒water (1/1/2)","","","- C53 H40 Cl4 F3 Fe N4 O10 S -","- C53 H40 Cl4 F3 Fe N4 O10 S -","- C212 H160 Cl16 F12 Fe4 N16 O40 S4 -","4","1","XU5800","Ben Haj Hassen, Leila; Ezzayani, Khaireddine; Rousselin, Yoann; Nasri, Habib","Diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ^4^<i>N</i>]iron(III) trifluoromethanesulfonate‒4-hydroxy-3-methoxybenzaldehyde‒water (1/1/2)","Acta Crystallographica Section E","2014","70","8","m296","m297","10.1107/S1600536814015335","","","0.71073","MoKα","","0.0661","0.0398","","","0.0892","0.101","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239759","11.0153","0.0008","9.8596","0.0007","9.5476","0.0006","90","","90","","90","","1036.93","0.12","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Fluoro-<i>N</i>-(4-hydroxybenzylidene)aniline","","- C13 H10 F N O -","- C13 H10 F N O -","- C52 H40 F4 N4 O4 -","4","1","SJ5413","Jothi, L.; Anuradha, G.; Vasuki, G.; Babu, R. Ramesh; Ramamurthi, K.","4-Fluoro-<i>N</i>-(4-hydroxybenzylidene)aniline","Acta Crystallographica Section E","2014","70","8","o860","","10.1107/S1600536814015153","","","0.71073","MoKα","","0.0367","0.0286","","","0.0707","0.0779","","","","","","1.111","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239760","12.7332","0.0014","14.2777","0.0014","19.003","0.002","90","","90","","90","","3454.8","0.6","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-(2-Nitrobenzyl)-3-phenyl-3,4-dihydro-2<i>H</i>-1,4-benzoxazin-2-ol","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C168 H144 N16 O32 -","8","2","BQ2396","Chouguiat, Louisa; Boulcina, Raouf; Bouacida, Sofiane; Merazig, Hocine; Debache, Abdelmadjid","4-(2-Nitrobenzyl)-3-phenyl-3,4-dihydro-2<i>H</i>-1,4-benzoxazin-2-ol","Acta Crystallographica Section E","2014","70","8","o863","o864","10.1107/S1600536814015645","","","0.71073","MoKα","","0.0512","0.0425","","","0.1083","0.1139","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239761","5.1582","0.0001","23.2339","0.0005","9.8858","0.0002","90","","94.7949","0.0012","90","","1180.62","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate","","- C9 H13 Cl N4 O4 -","- C9 H13 Cl N4 O4 -","- C36 H52 Cl4 N16 O16 -","4","1","SJ5418","Edison, Bellarmin; Balasubramani, Kasthuri; Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate","Acta Crystallographica Section E","2014","70","8","o857","o858","10.1107/S1600536814015220","","","0.71073","MoKα","","0.0594","0.0403","","","0.089","0.0994","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239762","21.992","0.0017","11.075","0.0019","17.648","0.003","90","","103.56","0.002","90","","4178.6","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 2,6-bis(4-bromophenyl)-1-isocyano-4-oxocyclohexanecarboxylate","","- C22 H19 Br2 N O3 -","- C22 H19 Br2 N O3 -","- C176 H152 Br16 N8 O24 -","8","1","HB7238","Zhang, Dawei; Hao, Linlin; Li, Jing","Ethyl 2,6-bis(4-bromophenyl)-1-isocyano-4-oxocyclohexanecarboxylate","Acta Crystallographica Section E","2014","70","8","o856","","10.1107/S160053681401530X","","","0.71069","MoKα","","0.0751","0.0425","","","0.1","0.1134","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239763","10.1788","0.0006","11.4325","0.0007","13.1395","0.0009","81.847","0.002","86.662","0.003","69.654","0.002","1419.08","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Isopropyl 1-benzoyl-4-benzoyloxy-2,6-diphenyl-1,2,3,6-tetrahydropyridine-3-carboxylate","","- C35 H31 N O5 -","- C35 H31 N O5 -","- C70 H62 N2 O10 -","2","1","NK2218","Govindan, E.; Murugavel, K.; Amirthaganesan, S.; SubbiahPandi, A.","Isopropyl 1-benzoyl-4-benzoyloxy-2,6-diphenyl-1,2,3,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E","2014","70","8","o854","","10.1107/S1600536814015244","","","0.71073","MoKα","","0.0499","0.0354","","","0.0966","0.1086","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239764","7.7369","0.0003","7.2079","0.0004","20.2499","0.0009","90","","99.816","0.004","90","","1112.74","0.09","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4b<i>S</i>,8a<i>S</i>)-1-Isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl benzoate","","- C27 H34 O2 -","- C27 H34 O2 -","- C54 H68 O4 -","2","1","","Oubabi, Radouane; Auhmani, Aziz; Ait Itto, My Youssef; Auhmani, Abdelwahed; Daran, Jean-Claude","(4b<i>S</i>,8a<i>S</i>)-1-Isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl benzoate","Acta Crystallographica Section E","2014","70","8","o866","o867","10.1107/S1600536814015827","","","1.54184","CuKα","","0.0408","0.0379","","","0.0917","0.0947","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239765","8.04","0.005","11.071","0.008","12.65","0.009","96.882","0.013","93.221","0.011","96.065","0.008","1108.9","1.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-[7-(2,3-Dihydrothieno[3,4-<i>b</i>][1,4]dioxin-5-yl)-2,1,3-benzothiadiazol-4-yl]-2-[(neopentylimino)methyl]phenol","","- C24 H23 N3 O3 S2 -","- C24 H23 N3 O3 S2 -","- C48 H46 N6 O6 S4 -","2","1","LH5710","Mitchell, Lauren A.; Dinser, Jordan A.; Holliday, Bradley J.","(<i>E</i>)-4-[7-(2,3-Dihydrothieno[3,4-<i>b</i>][1,4]dioxin-5-yl)-2,1,3-benzothiadiazol-4-yl]-2-[(neopentylimino)methyl]phenol","Acta Crystallographica Section E","2014","70","8","o848","o849","10.1107/S1600536814014883","","","0.71075","MoKα","","0.0995","0.0612","","","0.143","0.168","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239766","12.353","0.003","4.5092","0.0009","19.778","0.004","90","","90","","90","","1101.7","0.4","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Bromo-2-[(phenylimino)methyl]phenol","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C52 H40 Br4 N4 O4 -","4","1","NK2224","Yan, Xu-Xiu; Lu, Li-Ping; Zhu, Miao-Li","4-Bromo-2-[(phenylimino)methyl]phenol","Acta Crystallographica Section E","2014","70","8","o853","","10.1107/S1600536814015268","","","0.71073","MoKα","","0.0487","0.0386","","","0.0742","0.0779","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239767","7.628","0.003","8.34","0.003","9.464","0.004","103.544","0.008","92.555","0.007","94.87","0.007","581.9","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","Bis(2-nitrophenyl)methane","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C26 H20 N4 O8 -","2","1","","Janzen, Daron E.; Crepeau, Laura E.; Hageseth, Benjamin D.; Wollack, James W.","Bis(2-nitrophenyl)methane","Acta Crystallographica Section E","2014","70","8","o859","","10.1107/S1600536814015438","","","0.71075","MoKα","","","0.0475","","","","0.1139","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239768","8.8547","0.0005","5.8455","0.0003","28.8034","0.0017","90","","97.396","0.006","90","","1478.46","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(4-Chlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one","","- C18 H17 Cl O -","- C18 H17 Cl O -","- C72 H68 Cl4 O4 -","4","1","ZS2302","Narayana, Badiadka; Salian, Vinutha V.; Sarojini, Balladka K.; Jasinski, Jerry P.","(2<i>E</i>)-1-(4-Chlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2014","70","8","o855","","10.1107/S1600536814015281","","","1.54184","CuKα","","0.1063","0.0928","","","0.2724","0.2864","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239769","15.9731","0.0003","15.9731","0.0003","18.4149","0.0004","90","","90","","120","","4068.91","0.14","296","2","296","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","Poly[[tri-μ-aqua-dodecaaquatris(μ~3~-1-hydroxyethylidene-1,1-diphosphonato)tricalcium(II)tripalladium(II)] pentahydrate],","","- C2 H15.667 Ca O13.667 P2 Pd -","- C2 H14.5 Ca O13.6667 P2 Pd -","- C24 H174 Ca12 O164 P24 Pd12 -","12","0.5","","Kutsenko, Irina P.; Kozachkova, Alexandra N.; Tsaryk, Natalia V.; Pekhnyo, Vasily I.; Rusanova, Julia A.","Poly[[tri-μ-aqua-dodecaaquatris(μ~3~-1-hydroxyethylidene-1,1-diphosphonato)tricalcium(II)tripalladium(II)] pentahydrate]","Acta Crystallographica Section E","2014","70","8","m291","m292","10.1107/S1600536814015189","","","0.71073","MoKα","","0.0457","0.0306","","","0.0647","0.0713","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239770","4.6427","0.0001","4.6427","0.0001","9.1234","0.0002","90","","90","","90","","196.652","0.007","150","2","150","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","Dilithium hexafluoridoplatinate(IV)","Dilithium hexafluoridoplatinate(IV)","","- F6 Li2 Pt -","- F6 Li2 Pt -","- F12 Li4 Pt2 -","2","0.125","WM5032","Kraus, Florian","Li~2~PtF~6~ revisited","Acta Crystallographica Section E","2014","70","8","i43","","10.1107/S1600536814015566","","","0.71073","MoKα","","0.0247","0.0188","","","0.0476","0.0523","","","","","","1.169","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239771","5.422","0.0005","7.9937","0.0007","19.267","0.002","90","","90","","90","","835.07","0.14","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Kalium-4-azido-bezolsulfonat","Potassium 4-azidobenzenesulfonate","","- C6 H4 K N3 O3 S -","- C6 H4 K N3 O3 S -","- C24 H16 K4 N12 O12 S4 -","4","1","HP2068","Biesemeier, Frank; Geiseler, Gertraud; Harms, Klaus; Müller, Ulrich","Potassium 4-azidobenzenesulfonate","Acta Crystallographica Section E","2014","70","8","m300","","10.1107/S1600536814015669","","","0.71069","MoKα","","0.0187","0.0179","","","0.0474","0.0478","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239772","4.944","0.001","4.944","0.001","24.129","0.006","90","","90","","120","","510.77","0.19","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Diterbium heptanickel","","- Ni7 Tb1.96 -","- Ni7 Tb1.962 -","- Ni28 Tb7.848 -","4","0.166667","FJ2679","Levytskyy, Volodymyr; Babizhetskyy, Volodymyr; Kotur, Bohdan; Smetana, Volodymyr","Diterbium heptanickel: a crystal structure redetermination","Acta Crystallographica Section E Structure Reports Online","2014","70","8","i42","","10.1107/S1600536814015384","","","0.71073","MoKα","","0.049","0.0245","","","0.0353","0.0407","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239773","13.4308","0.0002","35.3969","0.0006","20.6967","0.0003","90","","97.62","0.001","90","","9752.5","0.3","100","1","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Benzyldiphenylphosphane-1κ<i>P</i>)[μ-bis(diphenylphosphanyl)methane-2:3κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-<i>triangulo</i>-triruthenium(0)","","- C53 H39 O9 P3 Ru3 -","- C53 H39 O9 P3 Ru3 -","- C424 H312 O72 P24 Ru24 -","8","2","","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Rosli, Mohd Mustaqim","(Benzyldiphenylphosphane-1κ<i>P</i>)[μ-bis(diphenylphosphanyl)methane-2:3κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-<i>triangulo</i>-triruthenium(0)","Acta Crystallographica Section E","2014","70","8","m293","m294","10.1107/S1600536814015475","","","0.71073","MoKα","","0.0627","0.0433","","","0.0817","0.089","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239774","8.9962","0.0002","16.1159","0.0002","8.5491","0.0001","90","","90","","90","","1239.46","0.03","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","4-Hydroxy-3-methoxybenzaldehyde 4-ethylthiosemicarbazone","4-Hydroxy-3-methoxybenzaldehyde 4-ethylthiosemicarbazone","","- C11 H15 N3 O2 S -","- C11 H15 N3 O2 S -","- C44 H60 N12 O8 S4 -","4","1","","de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; Feitosa, Bárbara Regina Santos","4-Hydroxy-3-methoxybenzaldehyde 4-ethylthiosemicarbazone","Acta Crystallographica Section E","2014","70","8","o868","","10.1107/S1600536814016018","","","0.71073","MoKα","","0.0367","0.0304","","","0.0676","0.071","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239775","3.911","0.0008","10.136","0.002","9.848","0.002","90","","98.71","0.03","90","","385.89","0.14","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Methyl 4-amino-2-chloropyrimidine-5-carboxylate","","- C6 H6 Cl N3 O2 -","- C6 H6 Cl N3 O2 -","- C12 H12 Cl2 N6 O4 -","2","1","","Wu, Ya-Ming","Methyl 4-amino-2-chloropyrimidine-5-carboxylate","Acta Crystallographica Section E","2014","70","8","o869","","10.1107/S1600536814016080","","","0.71073","MoKα","","0.0583","0.0461","","","0.1012","0.1086","","","","","","1.005","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239776","7.7213","0.0004","12.9759","0.0008","18.3318","0.0011","90","","95.248","0.002","90","","1828.98","0.18","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichlorido{(2<i>E</i>)-2-[phenyl(pyridin-2-yl)methylidene]hydrazinecarbothioamide}cadmium(II) methanol monosolvate","","- C14 H16 Cd Cl2 N4 O S -","- C14 H16 Cd Cl2 N4 O S -","- C56 H64 Cd4 Cl8 N16 O4 S4 -","4","1","FJ2677","Aravindakshan, Ambili A.; Seena, V.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","Dichlorido{(2<i>E</i>)-2-[phenyl(pyridin-2-yl)methylidene]hydrazinecarbothioamide}cadmium(II) methanol monosolvate","Acta Crystallographica Section E","2014","70","8","m301","m302","10.1107/S1600536814015694","","","0.71073","MoKα","","0.0343","0.0275","","","0.0695","0.0744","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239777","9.2222","0.0003","10.7555","0.0004","19.4962","0.0005","90","","95.503","0.002","90","","1924.9","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-2-Benzylidene-9-phenyl-3,4-dihydroacridin-1(2<i>H</i>)-one","","- C26 H19 N O -","- C26 H19 N O -","- C104 H76 N4 O4 -","4","1","BT6954","Vinuchakkaravarthy, T.; Sankaran, M.; Mohan, P. S.; Velmurugan, D.","(2<i>E</i>)-2-Benzylidene-9-phenyl-3,4-dihydroacridin-1(2<i>H</i>)-one","Acta Crystallographica Section E","2014","70","8","o870","","10.1107/S1600536814015943","","","0.71073","MoKα","","0.0731","0.0443","","","0.1138","0.1314","","","","","","0.997","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239778","8.7196","0.0004","10.7874","0.0005","11.3488","0.0005","82.624","0.002","82.775","0.002","79.214","0.002","1034.27","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl (2<i>S</i>*,2'<i>R</i>*)-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate","","- C22 H20 N2 O4 S -","- C22 H20 N2 O4 S -","- C44 H40 N4 O8 S2 -","2","1","SU2728","Savithri, M. P.; Suresh, M.; Raghunathan, R.; Vimala, G.; Raja, R.; SubbiahPandi, A.","Crystal structures of ethyl (2<i>S</i>*,2'<i>R</i>*)-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate and ethyl (2<i>S</i>*,2'<i>R</i>*)-5''-chloro-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate","Acta Crystallographica Section E","2014","70","8","94","97","10.1107/S1600536814015426","","","0.71073","MoKα","","0.0354","0.0315","","","0.0846","0.087","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239779","10.4678","0.0005","10.9074","0.0005","11.5652","0.0005","85.973","0.002","65.612","0.002","62.089","0.002","1050.25","0.09","293","2","","","","","","","","","","6","P -1","-P 1","2","","Ethyl (2<i>S</i>*,2'<i>R</i>*)-5''-chloro-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate","","- C22 H19 Cl N2 O4 S -","- C22 H19 Cl N2 O4 S -","- C44 H38 Cl2 N4 O8 S2 -","2","1","SU2728","Savithri, M. P.; Suresh, M.; Raghunathan, R.; Vimala, G.; Raja, R.; SubbiahPandi, A.","Crystal structures of ethyl (2<i>S</i>*,2'<i>R</i>*)-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate and ethyl (2<i>S</i>*,2'<i>R</i>*)-5''-chloro-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate","Acta Crystallographica Section E","2014","70","8","94","97","10.1107/S1600536814015426","","","0.71073","MoKα","","0.0463","0.0357","","","0.096","0.1028","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239780","9.6858","0.0004","9.6858","0.0004","26.5116","0.0017","90","","90","","90","","2487.2","0.2","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","2,3,5,6-Tetrakis(bromomethyl)pyrazine","","- C8 H8 Br4 N2 -","- C8 H8 Br4 N2 -","- C64 H64 Br32 N16 -","8","1","HB0005","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Crystal structure of a tetrakis-substituted pyrazine compound: 2,3,5,6-tetrakis(bromomethyl)pyrazine","Acta Crystallographica Section E","2014","70","8","51","53","10.1107/S1600536814011337","","","0.71073","MoKα","","0.0951","0.0433","","","0.0836","0.0955","","","","","","0.843","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239781","10.0618","0.0003","10.1653","0.0003","27.0304","0.0011","87.163","0.001","85.001","0.001","66.509","0.001","2525.6","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Poly[[diaquabis[1,5-bis(pyridin-4-yl)pentane-κ^2^<i>N</i>:<i>N</i>']cadmium] bis(perchlorate) 1,5-bis(pyridin-4-yl)pentane ethanol monosolvate]","","- C47 H64 Cd Cl2 N6 O11 -","- C47 H64 Cd Cl2 N6 O11 -","- C94 H128 Cd2 Cl4 N12 O22 -","2","1","WM0007","Harrison, William T. A.; Plater, M. John; deSilva, Ben M. deSilva; Foreman, Mark R. St J.","Crystal structure of a layered coordination polymer based on a 4^4^ net containing Cd^2+^ ions and 1,5-bis(pyridin-4-yl)pentane linkers","Acta Crystallographica Section E","2014","70","8","80","83","10.1107/S1600536814014779","","","0.71073","MoKα","","0.1499","0.0908","","","0.1981","0.2206","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239782","11.4079","0.0006","13.1968","0.0008","14.3681","0.0007","90","","96.387","0.005","90","","2149.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-(4-methylphenyl)-3-nitropyridin-2-amine","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C96 H88 N24 O16 -","8","4","HB0011","Aznan, Aina Mardia Akhmad; Abdullah, Zanariah; Lee, Vannajan Sanghiran; Tiekink, Edward R. T.","Crystal structure of a new monoclinic polymorph of <i>N</i>-(4-methylphenyl)-3-nitropyridin-2-amine","Acta Crystallographica Section E","2014","70","8","58","61","10.1107/S1600536814012227","","","1.54184","CuKα","","0.0614","0.0426","","","0.108","0.1236","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239783","20.9248","0.0013","8.7872","0.0005","21.2833","0.0015","90","","92.841","0.008","90","","3908.6","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Bis{(4-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ^2^<i>N</i>^1^,<i>S</i>)}nickel(II) monohydrate tetrahydrofuran disolvate","","- C42 H50 N6 Ni O3 S2 -","- C42 H50 N6 Ni O3 S2 -","- C168 H200 N24 Ni4 O12 S8 -","4","1","","de Oliveira, Adriano Bof; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke","Crystal structure of <i>cis</i>-bis[4-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ^2^<i>N</i>^1^,<i>S</i>]nickel(II) monohydrate tetrahydrofuran disolvate","Acta Crystallographica Section E","2014","70","8","101","103","10.1107/S1600536814016079","","","0.71073","MoKα","","0.0477","0.0382","","","0.0849","0.0897","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239784","7.8559","0.0004","14.1579","0.001","29.888","0.002","90","","90","","90","","3324.2","0.4","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Bis(17-β-estradiol 3-methyl ether) oxalate diester","Bis[3-methoxy-17β-estra-1,3,5(10)-trien-17-yl] oxalate","","- C40 H50 O6 -","- C40 H50 O6 -","- C160 H200 O24 -","4","1","SU0001","Harrison, William T. A.; Nahar, Lutfun; Turner, Alan B.","Crystal structure of bis[3-methoxy-17β-estra-1,3,5(10)-trien-17-yl] oxalate","Acta Crystallographica Section E","2014","70","8","62","64","10.1107/S1600536814009349","","","0.71073","MoKα","","0.1555","0.075","","","0.1085","0.1284","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239785","10.5373","0.0003","17.1597","0.0003","13.7278","0.0004","90","","107.908","0.003","90","","2361.96","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","9-(3-Bromo-5-chloro-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","","- C25 H29 Br Cl N O4 -","- C25 H29 Br Cl N O4 -","- C100 H116 Br4 Cl4 N4 O16 -","4","1","HB0002","Abdelhamid, Antar A.; Mohamed, Shaaban K.; Simpson, Jim","Crystal structure of 9-(3-bromo-5-chloro-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2014","70","8","44","47","10.1107/S1600536814009556","","","1.54184","CuKα","","0.0505","0.0404","","","0.0984","0.1076","","","","","","1.025","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239786","7.1347","0.0002","17.2819","0.0007","7.3289","0.0003","90","","90","","90","","903.66","0.06","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Potassium trifluorido(4-methoxyphenyl)borate","","- C7 H7 B F3 K O -","- C7 H7 B F3 K O -","- C28 H28 B4 F12 K4 O4 -","4","1","WM0001","Harrison, William T. A.; Wardell, James L.","Crystal structures of potassium trifluorido(4-methoxyphenyl)borate and potassium trifluorido(4-fluorophenyl)borate","Acta Crystallographica Section E","2014","70","8","68","71","10.1107/S1600536814009684","","","0.71075","MoKα","","0.0213","0.0212","","","0.0589","0.059","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239787","7.1317","0.0005","7.3757","0.0005","29.129","0.002","90","","90","","90","","1532.22","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Potassium trifluorido(4-fluorophenyl)borate","","- C6 H4 B F4 K -","- C6 H4 B F4 K -","- C48 H32 B8 F32 K8 -","8","1","WM0001","Harrison, William T. A.; Wardell, James L.","Crystal structures of potassium trifluorido(4-methoxyphenyl)borate and potassium trifluorido(4-fluorophenyl)borate","Acta Crystallographica Section E","2014","70","8","68","71","10.1107/S1600536814009684","","","0.71075","MoKα","","0.0358","0.0271","","","0.0624","0.0654","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239788","8.877","0.002","12.628","0.003","13.81","0.004","74.68","0.02","74.48","0.02","83.105","0.018","1436.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Dichloridotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II)","","- C60 H80 Cl2 Fe N8 -","- C60 H80 Cl2 Fe N8 -","- C60 H80 Cl2 Fe N8 -","1","0.5","","Mafua, Roger; Jenny, Titus; Labat, Gael; Neels, Antonia; Stoeckli-Evans, Helen","Crystal structures of <i>trans</i>-dichloridotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II), <i>trans</i>-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II) and <i>trans</i>-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II) diethyl ether disolvate","Acta Crystallographica Section E","2014","70","8","72","76","10.1107/S1600536814014056","","","0.71073","MoKα","","0.0977","0.0426","","","0.0615","0.0693","","","","","","0.795","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239789","9.0391","0.0011","12.7658","0.0011","13.689","0.002","74.502","0.009","74.481","0.012","84.343","0.009","1466","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Dibromidotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II)","","- C60 H80 Br2 Fe N8 -","- C60 H80 Br2 Fe N8 -","- C60 H80 Br2 Fe N8 -","1","0.5","","Mafua, Roger; Jenny, Titus; Labat, Gael; Neels, Antonia; Stoeckli-Evans, Helen","Crystal structures of <i>trans</i>-dichloridotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II), <i>trans</i>-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II) and <i>trans</i>-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II) diethyl ether disolvate","Acta Crystallographica Section E","2014","70","8","72","76","10.1107/S1600536814014056","","","0.71073","MoKα","","0.1052","0.0461","","","0.0692","0.0805","","","","","","0.808","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239790","11.671","0.0008","12.4758","0.0009","13.5759","0.001","64.464","0.005","81.515","0.006","88.982","0.006","1761.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Dibromidotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II) diethyl ether disolvate","","- C68 H100 Br2 Fe N8 O2 -","- C68 H100 Br2 Fe N8 O2 -","- C68 H100 Br2 Fe N8 O2 -","1","0.5","","Mafua, Roger; Jenny, Titus; Labat, Gael; Neels, Antonia; Stoeckli-Evans, Helen","Crystal structures of <i>trans</i>-dichloridotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II), <i>trans</i>-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II) and <i>trans</i>-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II) diethyl ether disolvate","Acta Crystallographica Section E","2014","70","8","72","76","10.1107/S1600536814014056","","","0.71073","MoKα","","0.0358","0.0307","","","0.0756","0.0773","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239791","5.6966","0.0006","10.6852","0.0013","12.775","0.0017","101.573","0.007","100.62","0.007","101.311","0.006","726.48","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(1<i>Z</i>)-1-(4-Chlorobenzylidene)-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-2-ide","","- C17 H15 Cl N2 O2 -","- C17 H15 Cl N2 O2 -","- C34 H30 Cl2 N4 O4 -","2","1","SU0007","Mangwala Kimpende, Peter; Doan, Thi Kieu Oanh; Vu, Quoc Trung; Van Meervelt, Luc","Crystal structure of (1<i>Z</i>)-1-(4-chlorobenzylidene)-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-2-ide","Acta Crystallographica Section E","2014","70","8","84","86","10.1107/S1600536814014445","","","1.54178","CuKα","","0.0843","0.0639","","","0.1541","0.1712","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239792","10.1746","0.0003","10.1746","0.0003","29.5107","0.0011","90","","90","","90","","3055.02","0.17","100","2","100","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","Nickel tetrathiocyanatomercurate(II) methanol disolvate","<i>catena</i>-Poly[[bis(methanol-κ<i>O</i>)nickel(II)]-di-μ-thiocyanato-κ^4^<i>N</i>:<i>S</i>-mercurate(II)-di-μ-thiocyanato-κ^4^<i>N</i>:<i>S</i>]","","- C6 H8 Hg N4 Ni O2 S4 -","- C6 H8 Hg N4 Ni O2 S4 -","- C48 H64 Hg8 N32 Ni8 O16 S32 -","8","0.5","HB0003","Weil, Matthias; Häusler, Thomas","Crystal structure of [NiHg(SCN)~4~(CH~3~OH)~2~]~<i>n~</i>","Acta Crystallographica Section E","2014","70","8","48","50","10.1107/S1600536814009532","","","0.71073","MoKα","","0.0328","0.0263","","","0.0493","0.0505","","","","","","0.96","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239793","13.4705","0.0007","11.6686","0.0006","11.7081","0.0007","90","","107.576","0.002","90","","1754.39","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Dibromo-<i>N</i>,<i>N</i>-bis(4-nitrophenyl)aniline","","- C18 H11 Br2 N3 O4 -","- C18 H11 Br2 N3 O4 -","- C72 H44 Br8 N12 O16 -","4","1","","Kautny, Paul; Fröhlich, Johannes; Stöger, Berthold; Weil, Matthias","Isotypic crystal structures of 2,6-dibromo-<i>N</i>,<i>N</i>-bis(4-nitrophenyl)aniline and 2,6-dichloro-<i>N</i>,<i>N</i>-bis(4-nitrophenyl)aniline","Acta Crystallographica Section E","2014","70","8","65","67","10.1107/S1600536814010964","","","0.71073","MoKα","","0.0592","0.0335","","","0.0725","0.079","","","","","","1.36","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239794","13.3117","0.0003","11.546","0.0003","11.7558","0.0003","90","","108.797","0.001","90","","1710.46","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Dichloro-<i>N</i>,<i>N</i>-bis(4-nitrophenyl)aniline","","- C18 H11 Cl2 N3 O4 -","- C18 H11 Cl2 N3 O4 -","- C72 H44 Cl8 N12 O16 -","4","1","","Kautny, Paul; Fröhlich, Johannes; Stöger, Berthold; Weil, Matthias","Isotypic crystal structures of 2,6-dibromo-<i>N</i>,<i>N</i>-bis(4-nitrophenyl)aniline and 2,6-dichloro-<i>N</i>,<i>N</i>-bis(4-nitrophenyl)aniline","Acta Crystallographica Section E","2014","70","8","65","67","10.1107/S1600536814010964","","","0.71073","MoKα","","0.0383","0.0337","","","0.1253","0.1313","","","","","","1.39","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239795","9.8937","0.0006","6.9932","0.0005","11.8054","0.0007","90","","102.078","0.001","90","","798.72","0.09","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[3-(4,5-Dihydro-1,3-thiazolin-2-yl-κ<i>N</i>)-1,3-thiazolidine-2-thione-κ<i>S</i>^2^](1,3-thiazolidine-2-thione-κ<i>S</i>^2^)copper(I) nitrate","","- C9 H13 Cu N4 O3 S5 -","- C9 H13 Cu N4 O3 S5 -","- C18 H26 Cu2 N8 O6 S10 -","2","0.5","SJ5420","Saithong, Saowanit; Klongkleaw, Pirawan; Pakawatchai, Chaveng; Mokakul, Jedsada","Crystal structure of [3-(4,5-dihydro-1,3-thiazolin-2-yl-κ<i>N</i>)-1,3-thiazolidine-2-thione-κ<i>S</i>^2^](1,3-thiazolidine-2-thione-κ<i>S</i>^2^)copper(I) nitrate","Acta Crystallographica Section E","2014","70","8","91","93","10.1107/S160053681401544X","","","0.71073","MoKα","","0.0316","0.029","","","0.0787","0.0804","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239796","6.7533","0.0008","8.6299","0.001","35.206","0.004","90","","90","","90","","2051.8","0.4","100","2","100","2","","","","","","","","4","F 2 d d","F -2d 2","43","sodium selenate sesquihydrate","Sodium selenate sesquihydrate","","- H3 Na2 O5.5 Se -","- H3 Na2 O5.5 Se -","- H48 Na32 O88 Se16 -","16","1","HB0010","Weil, Matthias; Bonneau, Barbara","Crystal structures of Na~2~SeO~4~·1.5H~2~O and Na~2~SeO~4~·10H~2~O","Acta Crystallographica Section E","2014","70","8","54","57","10.1107/S1600536814011799","","","0.71073","MoKα","","0.021","0.0189","","","0.0415","0.042","","","","","","0.994","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239797","11.5758","0.0006","10.4911","0.0005","12.957","0.0007","90","","107.995","0.003","90","","1496.56","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","sodium selenate decahydrate","Sodium selenate decahydrate","","- H20 Na2 O14 Se -","- H20 Na2 O14 Se -","- H80 Na8 O56 Se4 -","4","1","HB0010","Weil, Matthias; Bonneau, Barbara","Crystal structures of Na~2~SeO~4~·1.5H~2~O and Na~2~SeO~4~·10H~2~O","Acta Crystallographica Section E","2014","70","8","54","57","10.1107/S1600536814011799","","","0.71073","MoKα","","0.0341","0.0206","","","0.0427","0.0458","","","","","","1.052","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239798","8.1259","0.0014","7.1873","0.0012","15.583","0.003","90","","120.631","0.01","90","","783.1","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dicaesium thorium nitrate","Dicaesium hexanitratothorate(IV)","","- Cs2 N6 O18 Th -","- Cs2 N6 O18 Th -","- Cs4 N12 O36 Th2 -","2","0.5","WM5033","Woidy, Patrick; Kraus, Florian","Crystal structure of Cs~2~[Th(NO~3~)~6~]","Acta Crystallographica Section E","2014","70","8","98","100","10.1107/S1600536814015876","","","0.71073","MoKα","","0.0376","0.0229","","","0.0437","0.0471","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239799","16.649","0.0008","6.4457","0.0003","11.5438","0.0006","90","","116.772","0.002","90","","1106.02","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[aquadi-<i>n</i>-propyltin(IV)]-μ-oxalato]","","- C8 H16 O5 Sn -","- C8 H16 O5 Sn -","- C32 H64 O20 Sn4 -","4","0.5","WM5030","Reichelt, Martin; Reuter, Hans","Crystal structure of <i>catena</i>-poly[[aquadi-<i>n</i>-propyltin(IV)]-μ-oxalato]","Acta Crystallographica Section E","2014","70","8","87","90","10.1107/S1600536814015372","","","0.71073","MoKα","","0.0267","0.0238","","","0.0564","0.0576","","","","","","1.106","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239800","11.4337","0.0005","9.916","0.0005","19.1544","0.0011","90","","100.12","0.006","90","","2137.87","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(isoquinolin-2-ium) tetrachloridozincate dihydrate","Bis(isoquinolin-2-ium) tetrachloridozincate dihydrate","","- C18 H20 Cl4 N2 O2 Zn -","- C18 H20 Cl4 N2 O2 Zn -","- C72 H80 Cl16 N8 O8 Zn4 -","4","0.5","BT6974","Govindan, Elumalai; Thirumurugan, Subramani; Rajkumar, Kanniah; Anbalagan, Krishnamoorthy; SubbiahPandi, Arunachalam","Bis(isoquinolin-2-ium) tetrachloridozincate dihydrate","Acta Crystallographica Section E","2014","70","8","m303","","10.1107/S1600536814015682","","","0.71073","MoKα","","0.0416","0.0328","","","0.0826","0.0881","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239801","9.2078","0.0004","9.8558","0.0005","18.9029","0.0009","77.667","0.001","77.507","0.001","67.9","0.001","1535.11","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[diaquatetra-μ-cyanido-diargentate(I)iron(II)] bis[<i>trans</i>-1,2-bis(pyridin-2-yl)ethylene]]","","- C28 H24 Ag2 Fe N8 O2 -","- C28 H24 Ag2 Fe N8 O2 -","- C56 H48 Ag4 Fe2 N16 O4 -","2","1","VN2085","Othong, Jintana; Wannarit, Nanthawat; Pakawatchai, Chaveng; Youngme, Sujittra","Crystal structure of a two-dimensional grid-type iron(II) coordination polymer: poly[[diaquatetra-μ-cyanido-diargentate(I)iron(II)] <i>trans</i>-1,2-bis(pyridin-2-yl)ethylene disolvate]","Acta Crystallographica Section E","2014","70","8","107","110","10.1107/S1600536814016250","","","0.71073","MoKα","","0.0402","0.0286","","","0.0672","0.0725","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239802","10.1951","0.0003","7.3545","0.0002","16.53","0.0005","90","","102.86","0.003","90","","1208.33","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methylsulfanyl-2-phenylquinazoline","","- C15 H12 N2 S -","- C15 H12 N2 S -","- C60 H48 N8 S4 -","4","1","","Alshammari, Mohammed B.; Smith, Keith; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","4-Methylsulfanyl-2-phenylquinazoline","Acta Crystallographica Section E","2014","70","8","o871","","10.1107/S1600536814015657","","","0.71073","MoKα","","0.0487","0.039","","","0.0901","0.0965","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239803","9.772","0.0004","12.0351","0.0004","17.3162","0.0006","90","","93.947","0.001","90","","2031.68","0.13","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","3,10,14,21-Tetrakis(4-methoxyphenyl)pentacyclo[11.8.0.0^2,11^.0^4,9^.0^15,20^]henicosa-1(21),2,4(9),5,7,10,13,15(20),16,18-decaen-12-one chloroform monosolvate","","- C50 H37 Cl3 O5 -","- C49 H36 O5 -","- C98 H72 O10 -","2","0.5","TK5322","Gopinath, S.; Narayanan, P.; Sethusankar, K.; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","3,10,14,21-Tetrakis(4-methoxyphenyl)pentacyclo[11.8.0.0^2,11^.0^4,9^.0^15,20^]henicosa-1(21),2,4(9),5,7,10,13,15(20),16,18-decaen-12-one chloroform monosolvate","Acta Crystallographica Section E","2014","70","8","o873","o874","10.1107/S1600536814016389","","","0.71073","MoKα","","0.0524","0.0397","","","0.1173","0.1248","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239804","15.3319","0.0014","18.3248","0.0016","12.9564","0.0012","90","","90","","90","","3640.2","0.6","223","","223","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(3-Methylbenzonitrile-1κ<i>N</i>)-<i>cis</i>-tetrakis(μ-<i>N</i>-phenylacetamidato)-1:2κ^4^<i>N</i>:<i>O</i>;1:2κ^4^<i>O</i>:<i>N</i>-dirhodium(II)(<i>Rh</i>—<i>Rh</i>)","","- C40 H39 N5 O4 Rh2 -","- C40 H39 N5 O4 Rh2 -","- C160 H156 N20 O16 Rh8 -","4","0.5","","Eagle, Cassandra T.; Quarshie, Fredricka; Cook, Kevin M.","(3-Methylbenzonitrile-1κ<i>N</i>)-<i>cis</i>-tetrakis(μ-<i>N</i>-phenylacetamidato)-1:2κ^4^<i>N</i>:<i>O</i>;1:2κ^4^<i>O</i>:<i>N</i>-dirhodium(II)(<i>Rh</i>—<i>Rh</i>)","Acta Crystallographica Section E","2014","70","8","m304","","10.1107/S1600536814016031","","","0.71075","MoKα","","0.0675","0.042","","","0.0811","0.0893","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239805","11.0496","0.0018","5.793","0.003","11.0496","0.0006","90","","96.77","0.03","90","","702.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(methylsulfonyl)methane","","- C3 H8 O4 S2 -","- C3 H8 O4 S2 -","- C12 H32 O16 S8 -","4","1","","Awad, Riad; Mallah, Eyad; Abu Dayyih, Wael; Sweidan, Kamal; Steimann, Manfred","Bis(methylsulfonyl)methane","Acta Crystallographica Section E","2014","70","8","o877","","10.1107/S1600536814016201","","","0.71073","MoKα","","0.0376","0.0311","","","0.07","0.0729","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239806","6.9824","0.0001","18.2035","0.0004","31.4449","0.0009","90","","90","","90","","3996.78","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Betulin 3,28-di-O-tosylate","(1<i>R</i>,3a<i>S</i>,5a<i>R</i>,5b<i>R</i>,7a<i>R</i>,9<i>S</i>,11a<i>R</i>,11b<i>R</i>,13a<i>R</i>,13b<i>R</i>)-5a,5b,8,8,11a-Pentamethyl-1-(prop-1-en-2-yl)-3a-[(tosyloxy)methyl]icosahydro-1<i>H</i>-cyclopenta[<i>a</i>]chrysen-9-yl 4-methylbenzenesulfonate","","- C44 H62 O6 S2 -","- C44 H62 O6 S2 -","- C176 H248 O24 S8 -","4","1","FY2116","Peipiņš, Uldis; Freimanis, Niks; Stepanovs, Dmitrijs; Mishnev, Anatoly; Turks, Māris","Betulin 3,28-di-<i>O</i>-tosylate","Acta Crystallographica Section E","2014","70","8","o879","o880","10.1107/S1600536814016602","","","0.71073","MoKα","","0.1815","0.0769","","","0.114","0.1422","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239807","15.7531","0.0017","5.4345","0.001","22.756","0.003","90","","104.506","0.009","90","","1886","0.5","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pelanserin","3-[3-(4-Phenylpiperazin-1-yl)propyl]quinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C21 H24 N4 O2 -","- C21 H24 N4 O2 -","- C84 H96 N16 O8 -","4","1","ZS2304","Aguirre Hernández, Gerardo; Somanathan, Ratnasamy; Bernès, Sylvain","Pelanserin: 3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2014","70","8","o878","","10.1107/S160053681401602X","","","0.71073","MoKα","","0.2034","0.0717","","","0.108","0.148","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239808","12.1847","0.0002","5.6738","0.0001","17.762","0.0003","90","","95.682","0.001","90","","1221.92","0.04","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{2-[(<i>E</i>)-(4-methoxylbenzyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>^1^}nickel(II)","","- C30 H28 N2 Ni O4 -","- C30 H28 N2 Ni O4 -","- C60 H56 N4 Ni2 O8 -","2","0.5","SJ5419","Bahron, Hadariah; Tajuddin, Amalina Mohd; Ibrahim, Wan Nazihah Wan; Fun, Hoong-Kun; Chantrapromma, Suchada","Crystal structure of bis{2-[(<i>E</i>)-(4-methoxylbenzyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>^1^}nickel(II)","Acta Crystallographica Section E","2014","70","8","104","106","10.1107/S160053681401650X","","","0.71073","MoKα","","0.0331","0.0277","","","0.0707","0.0744","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239809","9.5219","0.0003","13.8808","0.0004","12.114","0.0003","90","","97.829","0.001","90","","1586.2","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-Fluorophenyl)-2-methoxy-5,6,7,8,9,10-hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","","- C19 H19 F N2 O -","- C19 H19 F N2 O -","- C76 H76 F4 N8 O4 -","4","1","ZQ2223","Vishnupriya, R.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","4-(2-Fluorophenyl)-2-methoxy-5,6,7,8,9,10-hexahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","8","o872","","10.1107/S1600536814016365","","","0.71073","MoKα","","0.0648","0.0534","","","0.1451","0.1545","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239810","7.6168","0.0006","9.9967","0.0005","11.7888","0.0006","105.283","0.005","99.416","0.005","92.221","0.005","851.05","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Amino-3-methyl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-<i>c</i>]pyrazole-5-carbonitrile","","- C17 H18 N4 O4 -","- C17 H18 N4 O4 -","- C34 H36 N8 O8 -","2","1","","Sharma, Naresh; Brahmachari, Goutam; Banerjee, Bubun; Kant, Rajni; Gupta, Vivek K.","6-Amino-3-methyl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-<i>c</i>]pyrazole-5-carbonitrile","Acta Crystallographica Section E","2014","70","8","o875","o876","10.1107/S1600536814015670","","","0.71073","MoKα","","0.0797","0.0473","","","0.1052","0.1249","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239811","6.323","0.004","16.459","0.011","12.461","0.008","90","","90.33","0.009","90","","1296.8","1.5","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-ethyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C11 H11 Br N4 O S -","- C11 H11 Br N4 O S -","- C44 H44 Br4 N16 O4 S4 -","4","2","FY2115","Yuan, Cai-Xia; Lan, Shu-Fen; Liu, Xin-Yu; Zhu, Miao-Li","4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-ethyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2014","70","8","o881","o882","10.1107/S1600536814016833","","","0.71073","MoKα","","0.0449","0.0308","","","0.0603","0.0646","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239812","7.9764","0.0016","8.6658","0.0017","15.278","0.003","87.79","0.03","76.18","0.03","77.59","0.03","1001.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-Carbamoylguanidinium bis(2,4,6-trinitrophenyl)azanide","","- C14 H11 N11 O13 -","- C14 H11 N11 O13 -","- C28 H22 N22 O26 -","2","1","","Deblitz, Raik; Hrib, Cristian G.; Hilfert, Liane; Edelmann, Frank T.","Crystal structure of the high-energy-density material guanylurea dipicrylamide","Acta Crystallographica Section E","2014","70","8","111","114","10.1107/S1600536814017164","","","0.71073","MoKα","","0.0447","0.0366","","","0.0931","0.0972","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239813","10.6265","0.0006","12.7146","0.0007","16.4031","0.0008","90","","99.524","0.002","90","","2185.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-Methyl-2,6-diphenylpiperidin-4-one <i>O</i>-(3-methylbenzoyl)oxime","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","1","BT6984","Kathiravan, V.; Krishnan, K. Gokula; Mohandas, T.; Thanikachalam, V.; Sakthivel, P.","(<i>E</i>)-3-Methyl-2,6-diphenylpiperidin-4-one <i>O</i>-(3-methylbenzoyl)oxime","Acta Crystallographica Section E","2014","70","8","o883","","10.1107/S1600536814016638","","","0.71073","MoKα","","0.1081","0.0526","","","0.1345","0.1748","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239814","11.876","0.003","9.025","0.003","17.465","0.005","90","","91.808","0.004","90","","1871","0.9","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[1-(naphthalen-1-ylmethyl)pyridinium] bis(2,2-dicyanoethene-1,1-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)","","- C40 H28 N6 Ni S4 -","- C40 H28 N6 Ni S4 -","- C80 H56 N12 Ni2 S8 -","2","0.5","KP2472","Zhang, Miao; Xiong, Xu-Jie","Crystal structure of bis[1-(naphthalen-1-ylmethyl)pyridinium] bis(2,2-dicyanoethene-1,1-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)","Acta Crystallographica Section E","2014","70","8","115","117","10.1107/S1600536814017012","","","0.71073","MoKα","","0.0669","0.0399","","","0.0912","0.1022","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239815","10.594","0.005","5.109","0.002","33.152","0.015","90","","94.922","0.006","90","","1787.7","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-(9-Hexyl-9<i>H</i>-carbazol-3-yl)acrylic acid","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Sun, Wan; Liu, Wen-Mo; Li, Sheng-Li","(<i>E</i>)-3-(9-Hexyl-9<i>H</i>-carbazol-3-yl)acrylic acid","Acta Crystallographica Section E","2014","70","8","o884","","10.1107/S1600536814016237","","","0.71073","MoKα","","0.0772","0.0557","","","0.1646","0.1919","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239816","16.0467","0.0012","4.8824","0.0004","23.0403","0.0018","90","","124.997","0.005","90","","1478.7","0.2","100","1","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Methyl-<i>N</i>-[2-(pyridin-2-yl)ethylcarbamothioyl]benzamide","","","- C16 H17 N3 O S -","- C16 H17 N3 O S -","- C64 H68 N12 O4 S4 -","4","1","ZS2306","Adam, Farook; Ameram, Nadiah; Eltayeb, Naser Eltaher","4-Methyl-<i>N</i>-[2-(pyridin-2-yl)ethylcarbamothioyl]benzamide","Acta Crystallographica Section E","2014","70","8","o885","","10.1107/S1600536814016377","","","0.71073","MoKα","","0.1107","0.068","","","0.1551","0.1823","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239817","12.877","0.0008","13.4384","0.0009","7.1292","0.0007","90","","112.072","0.006","90","","1143.27","0.16","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tétrasodium cobalt(II) tris[molybdate(VI)]","","- Co Mo3 Na4 O12 -","- Co1.006 Mo3 Na3.994 O12 -","- Co4.024 Mo12 Na15.976 O48 -","4","0.5","BR2240","Nasri, Rawia; Fakhar Bourguiba, Noura; Zid, Mohamed Faouzi; Driss, Ahmed","Crystal structure of alluaudite-type Na~4~Co(MoO~4~)~3~","Acta Crystallographica Section E","2014","70","9","i47","i48","10.1107/S1600536814016729","","","0.71073","MoKα","","0.0283","0.0254","","","0.0635","0.0649","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239818","10.0403","0.0005","11.0199","0.0006","11.9806","0.0006","114.892","0.001","94.696","0.001","111.751","0.001","1071.39","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetraguanidinium [hexahydrogen hexaarsenato(V)tetravanadate(V)] tetrahydrate","","- C4 H34 As6 N12 O34 V4 -","- C4 H30 As6 N12 O34 V4 -","- C4 H30 As6 N12 O34 V4 -","1","0.5","","Harrison, William T. A.","Crystal structure of tetraguanidinium [hexahydrogen hexaarsenato(V)tetravanadate(V)] tetrahydrate","Acta Crystallographica Section E","2014","70","9","m305","m306","10.1107/S1600536814011349","","","0.70173","MoKα","","0.0666","0.0473","","","0.1217","0.1287","","","","","","0.987","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239819","13.3527","0.0009","12.4492","0.001","14.8935","0.0014","90","","95.604","0.004","90","","2463.9","0.3","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Bis(4-nitroaniline-κ<i>N</i>^1^)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)cobalt(III) chloride dichloromethane monosolvate","","- C57 H42 Cl3 Co N8 O4 -","- C57 H42 Cl3 Co N8 O4 -","- C114 H84 Cl6 Co2 N16 O8 -","2","0.5","","Belghith, Yassine; Mansour, Anissa; Nasri, Habib","Crystal structure of bis(4-nitroaniline-κ<i>N</i>^1^)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)cobalt(III) chloride dichloromethane monosolvate","Acta Crystallographica Section E","2014","70","9","m312","m313","10.1107/S1600536814016274","","","0.71073","MoKα","","0.0483","0.0388","","","0.0912","0.0967","","","","","","1.037","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239820","14.2405","0.0007","13.9271","0.0007","19.0774","0.001","90","","98.711","0.001","90","","3740","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Benzenecarbothioamide-κ<i>S</i>)chloridobis(triphenylphosphane-κ<i>P</i>)silver(I)","","- C43 H37 Ag Cl N P2 S -","- C43 H37 Ag Cl N P2 S -","- C172 H148 Ag4 Cl4 N4 P8 S4 -","4","1","LH5718","Ruangwut, Wattana; Pakawatchai, Chaveng","Crystal structure of (benzenecarbothioamide-κ<i>S</i>)chloridobis(triphenylphosphane-κ<i>P</i>)silver(I)","Acta Crystallographica Section E","2014","70","9","m310","m311","10.1107/S1600536814015992","","","0.71073","MoKα","","0.0373","0.0331","","","0.0736","0.0754","","","","","","1.128","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239821","11.2727","0.0011","4.0775","0.0004","10.9764","0.001","90","","114.951","0.004","90","","457.44","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Potassium mercury tris-thiocyanate","Potassium [trithiocyanatomercurate(II)]","","- C3 Hg K N3 S3 -","- C3 Hg K N3 S3 -","- C6 Hg2 K2 N6 S6 -","2","0.5","HB0013","Weil, Matthias; Häusler, Thomas","Crystal structure of K[Hg(SCN)~3~] ‒ a redetermination","Acta Crystallographica Section E","2014","70","9","i46","","10.1107/S1600536814013403","","","0.71073","MoKα","","0.0614","0.028","","","0.0549","0.0616","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239822","8.4143","0.0012","24.421","0.004","9.2884","0.0014","90","","113.322","0.002","90","","1752.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[{μ-<i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methyl]oxalamide}-μ-oxalato-cobalt(II)]","","- C16 H14 Co N4 O6 -","- C16 H14 Co N4 O6 -","- C64 H56 Co4 N16 O24 -","4","1","BT6986","Zou, Hengye; Qi, Yanjuan","Crystal structure of poly[{μ-<i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methyl]oxalamide}-μ-oxalato-cobalt(II)]","Acta Crystallographica Section E","2014","70","9","m307","m308","10.1107/S1600536814015608","","","0.71073","MoKα","","0.1674","0.0649","","","0.1187","0.1488","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239823","6.2771","0.0008","4.429","0.0006","8.3596","0.001","90","","91.695","0.004","90","","232.31","0.05","295","2","295","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","Mercurous sulfate","Mercury(I) sulfate","","- Hg2 O4 S -","- Hg2 O4 S -","- Hg4 O8 S2 -","2","0.5","HB0012","Weil, Matthias","Crystal structure of Hg2SO4‒ a redetermination","Acta Crystallographica Section E Structure Reports Online","2014","70","9","i44","","10.1107/S1600536814011155","","","0.71073","MoKα","","0.038","0.0354","","","0.0856","0.0871","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239824","22.0299","0.0004","4.8802","0.0001","8.3995","0.0002","90","","90","","90","","903.03","0.03","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","","Di(strontium/lead) hexaaluminate","","- Al6 O11 Pb0.35 Sr1.65 -","- Al6 O11 Pb0.3472 Sr1.6528 -","- Al24 O44 Pb1.3888 Sr6.6112 -","4","0.5","HB0009","Weil, Matthias","Crystal structure of the solid solution (Sr~1.65~Pb~0.35~)Al~6~O~11~","Acta Crystallographica Section E","2014","70","9","i45","","10.1107/S1600536814010216","","","0.71073","MoKα","","0.0345","0.0269","","","0.0585","0.0608","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239825","8.6367","0.0011","13.2598","0.0016","13.4188","0.0014","90","","101.737","0.003","90","","1504.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MC493_LT","Poly[[<i>trans</i>-diaquabis[μ~2~-<i>trans</i>-4,4'-(diazenediyl)dipyridine]nickel(II)] diiodide ethanol disolvate]","","- C24 H32 I2 N8 Ni O4 -","- C24 H32 I2 N8 Ni O4 -","- C48 H64 I4 N16 Ni2 O8 -","2","0.5","BX2463","Perles, Josefina; Cortijo, Miguel; Herrero, Santiago","Crystal structure of poly[[<i>trans</i>-diaquabis[μ~2~-<i>trans</i>-4,4'-(diazenediyl)dipyridine]nickel(II)] diiodide ethanol disolvate]","Acta Crystallographica Section E","2014","70","9","m314","m315","10.1107/S1600536814016158","","","0.71073","MoKα","","0.0736","0.0407","","","0.085","0.0972","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239826","9.5883","0.0004","10.4998","0.0004","13.0088","0.0005","70.633","0.004","83.867","0.003","89.0009","0.0018","1228.26","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Chloridopentakis(dimethyl sulfoxide-κ<i>O</i>)chromium(III) dichloride","","- C10 H30 Cl3 Cr O5 S5 -","- C10 H30 Cl3 Cr O5 S5 -","- C20 H60 Cl6 Cr2 O10 S10 -","2","1","WM5034","Son, Kyung-sun; Woo, Jeong Oh; Kim, Namhun; Kang, Sung Kwon","Crystal structure of chloridopentakis(dimethyl sulfoxide-κ<i>O</i>)chromium(III) dichloride","Acta Crystallographica Section E","2014","70","9","m309","","10.1107/S1600536814015852","","","0.71073","MoKα","","0.1433","0.0715","","","","0.1382","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239827","12.594","0.005","9.303","0.005","14.997","0.005","90","","96.402","0.005","90","","1746.1","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-Benzyloxy-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dien-1-one","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","SU2761","Ghichi, Nadir; Benosmane, Ali; Benboudiaf, Ali; Merazig, Hocine","Crystal structure of (<i>Z</i>)-3-benzyloxy-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2014","70","9","o957","o958","10.1107/S1600536814016936","","","0.71073","MoKα","","0.1121","0.0502","","","0.1282","0.1577","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239828","10.517","0.005","7.383","0.003","13.568","0.006","90","","102.332","0.006","90","","1029.2","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Dimethyl-3-phenylpyrrolidine-2,5-dione","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","SU2755","Ordonez, Carlos; Pavlovetc, Ilia M.; Khrustalev, Victor N.","Crystal structure of 1,3-dimethyl-3-phenylpyrrolidine-2,5-dione: a clinically used anticonvulsant","Acta Crystallographica Section E","2014","70","9","o942","o943","10.1107/S1600536814016717","","","0.71073","MoKα","","0.0613","0.0431","","","0.104","0.1167","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239829","11.4117","0.0004","16.1679","0.0007","7.8201","0.0003","90","","103.382","0.002","90","","1403.66","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-3-Chloro-1,3-dimethyl-<i>N</i>-(4-nitrophenyl)-2-oxocyclopentane-1-carboxamide","","- C14 H15 Cl N2 O4 -","- C14 H15 Cl N2 O4 -","- C56 H60 Cl4 N8 O16 -","4","1","HG5403","Zeller, Matthias; Warneke, Jonas; Azov, Vladimir","Relative substituent orientation in the structure of <i>cis</i>-3-chloro-1,3-dimethyl-<i>N</i>-(4-nitrophenyl)-2-oxocyclopentane-1-carboxamide","Acta Crystallographica Section E","2014","70","9","121","123","10.1107/S1600536814017711","","","0.71073","MoKα","","0.0679","0.0459","","","0.1036","0.1138","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239830","9.8512","0.0011","11.561","0.0013","16.945","0.002","88.712","0.003","81.146","0.003","69.421","0.002","1784.1","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","1,5-Diphthalimido-3-[2-(tritylsulfanyl)benzyl]-3-azapentane","2,2'-({[2-(Tritylsulfanyl)benzyl]azanediyl}bis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)","","- C46 H37 N3 O4 S -","- C46 H37 N3 O4 S -","- C92 H74 N6 O8 S2 -","2","1","BT6987","Flörke, Ulrich; Neuba, Adam; Ortmeyer, Jochen; Henkel, Gerald","Crystal structure of 2,2'-({[2-(tritylsulfanyl)benzyl]azanediyl}bis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)","Acta Crystallographica Section E","2014","70","9","o895","o896","10.1107/S1600536814015554","","","0.71073","MoKα","","0.0644","0.0464","","","0.1023","0.1129","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239831","17.595","0.002","7.3348","0.0008","12.5712","0.0018","90","","99.769","0.006","90","","1598.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>^1^-Phenyl-<i>N</i>^4^-[(quinolin-2-yl)methylidene]benzene-1,4-diamine","","- C22 H17 N3 -","- C22 H17 N3 -","- C88 H68 N12 -","4","1","HB7248","Faizi, Md. Serajul Haque; Mashrai, Ashraf; Garandal, Saleem; Shahid, M.","Crystal structure of <i>N</i>^1^-phenyl-<i>N</i>^4^-[(quinolin-2-yl)methylidene]benzene-1,4-diamine","Acta Crystallographica Section E","2014","70","9","o905","o906","10.1107/S1600536814016006","","","0.71073","MoKα","","0.1381","0.0544","","","0.0846","0.1054","","","","","","0.973","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239832","13.1231","0.0003","8.8559","0.0002","19.3702","0.0004","90","","90","","90","","2251.14","0.09","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-(4-Formylbenzylidene)-4-methylthiosemicarbazone","1-[(4-formylbenzylidene)amino]-3-methylthiourea","","- C10 H11 N3 O S -","- C10 H11 N3 O S -","- C80 H88 N24 O8 S8 -","8","1","","Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Crystal structure of 1-(4-formylbenzylidene)-4-methylthiosemicarbazone","Acta Crystallographica Section E","2014","70","9","o926","","10.1107/S1600536814016407","","","1.54178","CuKα","","0.0374","0.0344","","","0.0966","0.1004","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239833","5.1","0.0004","12.7455","0.0009","15.13","0.001","90","","90","","90","","983.48","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(8-Methoxy-2<i>H</i>-chromen-3-yl)ethanone","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Koh, Dongsoo","Crystal structure of 1-(8-methoxy-2<i>H</i>-chromen-3-yl)ethanone","Acta Crystallographica Section E","2014","70","9","o936","o937","10.1107/S1600536814016808","","","0.71073","MoKα","","0.0704","0.0414","","","0.0909","0.1483","","","","","","1.151","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239834","12.0017","0.0004","30.2487","0.001","9.3597","0.0003","90","","116.179","0.001","90","","3049.35","0.18","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-Ferrocenyl-2-(4-methylbenzoyl)spiro[11<i>H</i>-pyrrolidizine-3,11'-\ indeno[1,2-<i>b</i>]quinoxaline]","","- C39 H33 Fe N3 O -","- C39 H33 Fe N3 O -","- C156 H132 Fe4 N12 O4 -","4","1","RZ5131","Chandralekha, Kuppan; Gavaskar, Deivasigamani; Sureshbabu, Adukamparai Rajukrishnan; Lakshmi, Srinivasakannan","Crystal structure of 1-ferrocenyl-2-(4-methylbenzoyl)spiro[11<i>H</i>-pyrrolidizine-3,11'-indeno[1,2-<i>b</i>]quinoxaline]","Acta Crystallographica Section E","2014","70","9","124","126","10.1107/S1600536814017644","","","0.71073","MoKα","","0.026","0.0242","","","0.0613","0.0624","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239835","7.1826","0.0005","9.2043","0.0006","10.7568","0.0007","91.847","0.007","102.433","0.007","110.191","0.008","647.37","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(3-hydroxybenzylidene)benzohydrazide monohydrate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","SU0006","Harrison, William T. A.; Low, John Nicolson; Wardell, James L.","Crystal structure of (<i>E</i>)-4-hydroxy-<i>N</i>'-(3-hydroxybenzylidene)benzohydrazide monohydrate","Acta Crystallographica Section E","2014","70","9","o891","o892","10.1107/S1600536814011908","","","0.71073","MoKα","","0.0737","0.0442","","","0.093","0.105","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239836","7.5771","0.0009","25.409","0.003","10.1668","0.0012","90","","106.261","0.008","90","","1879.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","triclopyr","2-[(3,5,6-Trichloropyridin-2-yl)oxy]acetic acid","","- C7 H4 Cl3 N O3 -","- C7 H4 Cl3 N O3 -","- C56 H32 Cl24 N8 O24 -","8","2","ZS2309","Cho, Seonghwa; Kim, Jineun; Jeon, Youngeun; Kim, Tae Ho","Crystal structure of triclopyr","Acta Crystallographica Section E","2014","70","9","o940","","10.1107/S160053681401681X","","","0.71073","MoKα","","0.055","0.0441","","","0.0919","0.0956","","","","","","1.122","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239837","6.0391","0.0005","7.2986","0.0006","13.4323","0.0012","98.238","0.006","90.123","0.005","96.429","0.006","582.16","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-chloro-6-methylquinoline-3-carboxylate","","- C13 H12 Cl N O2 -","- C13 H12 Cl N O2 -","- C26 H24 Cl2 N2 O4 -","2","1","HB7259","Hayour, Hasna; Bouraiou, Abdelmalek; Bouacida, Sofiane; Benzerka, Saida; Belfaitah, Ali","Crystal structure of ethyl 2-chloro-6-methylquinoline-3-carboxylate","Acta Crystallographica Section E","2014","70","9","o941","","10.1107/S1600536814016900","","","0.71073","MoKα","","0.0314","0.0281","","","0.0758","0.0781","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239838","8.0038","0.0001","8.4322","0.0001","10.6782","0.0002","88.933","0.001","81.008","0.001","66.859","0.001","653.812","0.017","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Chloro-2-(3-fluorophenyl)-3-methylsulfinyl-1- benzofuran","","- C15 H10 Cl F O2 S -","- C15 H10 Cl F O2 S -","- C30 H20 Cl2 F2 O4 S2 -","2","1","ZQ2226","Choi, Hong Dae; Lee, Uk","Crystal structure of 5-chloro-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2014","70","9","o991","o992","10.1107/S1600536814017966","","","0.71073","MoKα","","0.0345","0.032","","","0.0839","0.0857","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239839","8.3675","0.0004","8.5812","0.0005","12.2691","0.0005","76.973","0.004","81.053","0.004","76.302","0.005","829.01","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","4-Bromo-<i>N</i>-(2-bromo-3-nitrobenzyl)-2-nitronaphthalen-1-amine","","- C17 H11 Br2 N3 O4 -","- C17 H11 Br2 N3 O4 -","- C34 H22 Br4 N6 O8 -","2","1","TK5325","Singh, Vijay P.; Venkateshwaran, Krishnan; Singh, Harkesh B.; Butcher, Ray J.","Crystal structure of 4-bromo-<i>N</i>-(2-bromo-3-nitrobenzyl)-2-nitronaphthalen-1-amine","Acta Crystallographica Section E","2014","70","9","o960","o961","10.1107/S160053681401719X","","","0.71073","MoKα","","0.1027","0.0533","","","0.1087","0.1287","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239840","3.8182","0.0003","10.8166","0.0007","21.8043","0.0015","90","","91.015","0.004","90","","900.38","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Amino-1,3,4-thiadiazol-2(3<i>H</i>)-one","","- C2 H3 N3 O S -","- C2 H3 N3 O S -","- C16 H24 N24 O8 S8 -","8","2","TK5326","Kim, Namhun; Kang, Sung Kwon","Crystal structure of a monoclinic polymorph of 5-amino-1,3,4-thiadiazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2014","70","9","o922","","10.1107/S1600536814016055","","","0.71073","MoKα","","0.061","0.0467","","","","0.0993","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239841","7.4385","0.0008","14.3429","0.0016","9.2255","0.001","90","","90","","90","","984.27","0.19","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Phenyl(pyridin-2-yl)methanol","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","SU2760","Kim, Haneol; Kang, Sung Kwon","Crystal structure of phenyl(pyridin-2-yl)methanol","Acta Crystallographica Section E","2014","70","9","o947","","10.1107/S1600536814016857","","","0.71073","MoKα","","0.0861","0.0388","","","","0.084","","","","","","0.808","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239842","4.1538","0.0004","11.3685","0.0011","15.855","0.0016","90","","90","","90","","748.71","0.13","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-Chloro-2-iodoaniline","4-Chloro-2-iodoaniline","","- C6 H5 Cl I N -","- C6 H5 Cl I N -","- C24 H20 Cl4 I4 N4 -","4","1","JJ2191","Quinn, Taylor R.; Tanski, Joseph M.","Crystal structure of 4-chloro-2-iodoaniline","Acta Crystallographica Section E","2014","70","9","o944","o945","10.1107/S1600536814016869","","","0.71073","MoKα","","0.0382","0.0292","","","0.0508","0.0534","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239843","8.5298","0.0011","9.1422","0.0016","11.0268","0.0013","101.377","0.012","102.102","0.01","104.457","0.013","785.3","0.2","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-anilino-2-{[bis(methylsulfanyl)methylidene]amino}-3-oxopropanoate","","- C14 H18 N2 O3 S2 -","- C14 H18 N2 O3 S2 -","- C28 H36 N4 O6 S4 -","2","1","BT6988","López-Rodríguez, A. Kémish; Lira-Rocha, Alfonso; Flores-Alamo, Marcos","Crystal structure of ethyl 3-anilino-2-{[bis(methylsulfanyl)methylidene]amino}-3-oxopropanoate","Acta Crystallographica Section E","2014","70","9","o930","o931","10.1107/S1600536814016560","","","0.71073","MoKα","","0.0487","0.0386","","","0.0921","0.1006","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239844","7.4022","0.0002","10.939","0.0003","12.65","0.0004","90","","99.908","0.001","90","","1009.03","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-Bipyridine-1,1'-diium naphthalene-2,6-disulfonate dihydrate","","- C20 H20 N2 O8 S2 -","- C20 H20 N2 O8 S2 -","- C40 H40 N4 O16 S4 -","2","0.5","SU2764","Çevik, Sabri; Sarı, Musa; Sarı, Murat; Tunç, Tuncay","Crystal structure of 4,4'-bipyridine-1,1'-diium naphthalene-2,6-disulfonate dihydrate","Acta Crystallographica Section E","2014","70","9","o989","o990","10.1107/S160053681401784X","","","0.71073","MoKα","","0.0379","0.0349","","","0.0997","0.1032","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239845","10.3961","0.0005","10.8565","0.0006","16.1431","0.0007","84.704","0.004","76.223","0.004","68.249","0.005","1643.57","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Fluorophenyl)-1<i>H</i>-pyrazole‒5-(4-fluorophenyl)-1<i>H</i>-pyrazole (1/1)","","- C9 H7 F N2 -","- C9 H7 F N2 -","- C72 H56 F8 N16 -","8","4","BT6989","Yamuna, Thammarse S.; Kaur, Manpreet; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.","Two tautomers in the same crystal: 3-(4-fluorophenyl)-1<i>H</i>-pyrazole and 5-(4-fluorophenyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2014","70","9","o949","o950","10.1107/S160053681401695X","","","1.54184","CuKα","","0.0551","0.044","","","0.1128","0.122","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239846","9.2116","0.0009","5.5052","0.0004","10.2279","0.0008","90","","107.411","0.009","90","","494.91","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>S</i>)-1-(1,3-Benzothiazol-2-yl)-2,2,2-trifluoroethanol","","- C9 H6 F3 N O S -","- C9 H6 F3 N O S -","- C18 H12 F6 N2 O2 S2 -","2","1","LH5717","Shishkina, Svitlana V.; Kucher, Olexandr V.; Kolodiazhnaya, Anastasiya O.; Smolii, Oleg B.; Tolmachev, Andrey A.","Crystal structure of (<i>S</i>)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethanol","Acta Crystallographica Section E","2014","70","9","o946","","10.1107/S1600536814016547","","","0.71073","MoKα","","0.053","0.0417","","","0.1003","0.1075","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239847","7.6533","0.0004","11.4822","0.0007","23.2906","0.0014","90","","94.351","0.001","90","","2040.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Chlorophenyl)-4-(1<i>H</i>-indol-3-yl)-6-phenylpyridine-3-carbonitrile","","- C26 H16 Cl N3 -","- C26 H16 Cl N3 -","- C104 H64 Cl4 N12 -","4","1","HB7263","Vishnupriya, R.; Suresh, J.; Gunasekaran, Pethaiah; Perumal, Subbu; Lakshman, P. L. Nilantha","Crystal structure of 2-(4-chlorophenyl)-4-(1<i>H</i>-indol-3-yl)-6-phenylpyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","9","o978","","10.1107/S1600536814017693","","","0.71073","MoKα","","0.0729","0.0509","","","0.1275","0.1455","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239848","13.3826","0.0002","9.4258","0.0001","13.5762","0.0002","90","","99.453","0.001","90","","1689.27","0.04","110","2","110","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","2-Amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate","","- C3 H8 Cl N3 O S2 -","- C3 H8 Cl N3 O S2 -","- C24 H64 Cl8 N24 O8 S16 -","8","2","SU2749","Soudani, Sarra; Aubert, Emmanuel; Jelsch, Christian; Ben Nasr, Cherif","Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate","Acta Crystallographica Section E","2014","70","9","o913","o914","10.1107/S1600536814015864","","","0.7107","MoKα","","0.0231","0.0204","","","0.0531","0.0542","","","","","","1.122","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239849","11.6172","0.0006","8.4086","0.0005","30.0002","0.0016","90","","90","","90","","2930.6","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Fluoro-<i>N</i>-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide","","- C15 H11 F2 N3 O2 S -","- C15 H11 F2 N3 O2 S -","- C120 H88 F16 N24 O16 S8 -","8","1","HB7245","Firdausiah, Syadza; Salleh Huddin, Ameera Aqeela; Hasbullah, Siti Aishah; Yamin, Bohari M.; Yusoff, Siti Fairus M.","Crystal structure of 4-fluoro-<i>N</i>-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide","Acta Crystallographica Section E","2014","70","9","o915","o916","10.1107/S1600536814015761","","","0.71073","MoKα","","0.0802","0.0463","","","0.0873","0.0989","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239850","11.8536","0.0005","12.4293","0.0003","11.9492","0.0005","90","","118.584","0.005","90","","1545.92","0.12","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-(2-Nitrobenzylidene)-2,2-diphenylhydrazine","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","1","","Flores-Alamo, Marcos; Meléndrez-Luévano, Ruth; Ortiz Márquez, José A.; Sansinenea Royano, Estibaliz; Cabrera-Vivas, Blanca M.","Crystal structure of (<i>E</i>)-1-(2-nitrobenzylidene)-2,2-diphenylhydrazine","Acta Crystallographica Section E","2014","70","9","o909","o910","10.1107/S1600536814016109","","","0.71073","MoKα","","0.0542","0.0419","","","0.1027","0.1126","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239851","4.842","0.0002","9.7407","0.0007","10.7071","0.0008","73.917","0.009","82.819","0.01","75.98","0.009","469.87","0.06","100","","100","2","","","","","","","","4","P -1","-P 1","2","","2-Cyano-<i>N</i>'-(cyclohexylidene)acetohydrazide","","- C9 H13 N3 O -","- C9 H13 N3 O -","- C18 H26 N6 O2 -","2","1","","Harrison, William T. A.; Al-Sakka, Ola K.; Fleita, Daisy H.; Saleh, Amina; Salem, Sara","Crystal structure of 2-cyano-<i>N</i>'-(cyclohexylidene)acetohydrazide","Acta Crystallographica Section E","2014","70","9","o886","","10.1107/S1600536814009350","","","0.71073","MoKα","","0.0429","0.0351","","","0.0964","0.1006","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239852","6.17","0.0012","11.051","0.002","37.526","0.008","90","","90","","90","","2558.7","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(4-Methoxyphenyl)ethanone O-[(1<i>R</i>,4a<i>S</i>,10a<i>R</i>)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carbonyl]oxime","","- C29 H37 N O3 -","- C29 H37 N O3 -","- C116 H148 N4 O12 -","4","1","LR2129","Rao, Xiao-Ping; Cui, Yan-Jie; Zheng, Jian-Qiang","Crystal structure of (<i>E</i>)-1-(4-methoxyphenyl)ethanone <i>O</i>-dehydroabietyloxime","Acta Crystallographica Section E","2014","70","9","o948","","10.1107/S1600536814016882","","","0.71073","MoKα","","0.1579","0.0783","","","0.1517","0.1833","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239853","5.5891","0.0004","7.5232","0.0005","11.9525","0.0008","77.093","0.003","88.445","0.004","87.59","0.004","489.37","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","6,13-Bis[(pyridin-4-yl)methyl]-6,13-diazatetracyclo[6.6.2.0^4,16^0^11,15^]hexadeca-1,3,8,10,15-pantaene-5,7,12,14-tetrone","","- C26 H16 N4 O4 -","- C26 H16 N4 O4 -","- C26 H16 N4 O4 -","1","0.5","XU5806","Nicolas-Gomez, Mariana; Martínez-Otero, Diego; Dorazco-González, Alejandro","Crystal structure of <i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methyl]naphthalene diimide","Acta Crystallographica Section E","2014","70","9","o985","o986","10.1107/S1600536814017917","","","1.54178","CuKα","","0.0386","0.0371","","","0.1033","0.1056","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239854","9.4606","0.0003","9.7999","0.0003","11.1155","0.0004","90","","90","","90","","1030.55","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-<i>tert</i>-Butyl-1,3-thiazolo[4,5-<i>b</i>]pyridine","","- C10 H12 N2 S -","- C10 H12 N2 S -","- C40 H48 N8 S4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Masmali, Ali M.; Kariuki, Benson M.","Crystal structure of 2-<i>tert</i>-butyl-1,3-thiazolo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2014","70","9","o932","","10.1107/S160053681401633X","","","1.54184","CuKα","","0.0333","0.0328","","","0.089","0.0897","","","","","","1.119","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239855","9.6314","0.0014","23.749","0.004","8.8155","0.0014","90","","104.117","0.004","90","","1955.5","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(diethoxyphosphoryl)-2-(2,3,4-trimethoxyphenyl)acetate","","- C17 H27 O8 P -","- C17 H27 O8 P -","- C68 H108 O32 P4 -","4","1","HB7246","Schubert, Moritz; Schollmeyer, Dieter; Waldvogel, Siegfried R.","Crystal structure of ethyl 2-(diethoxyphosphoryl)-2-(2,3,4-trimethoxyphenyl)acetate","Acta Crystallographica Section E","2014","70","9","o897","o898","10.1107/S1600536814015803","","","0.71073","MoKα","","0.0768","0.0534","","","0.1242","0.1366","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239856","5.4984","0.0001","7.3585","0.0002","16.6265","0.0004","91.329","0.0009","97.325","0.001","99.562","0.001","657.27","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-({[(4<i>Z</i>)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}amino)acetate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C28 H30 N6 O8 -","2","1","SU2759","Mohamed, Shaaban K.; Akkurt, Mehmet; Mague, Joel T.; Ahmed, Eman A.; Albayati, Mustafa R.","Crystal structure of ethyl 2-({[(4<i>Z</i>)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}amino)acetate","Acta Crystallographica Section E","2014","70","9","o938","o939","10.1107/S1600536814016766","","","1.54178","CuKα","","0.0386","0.033","","","0.0847","0.0887","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239857","12.3888","0.0009","11.7972","0.0008","14.9428","0.0011","90","","110.286","0.001","90","","2048.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Formylbenzylidene)thiosemicarbazone","","- C9 H9 N3 O S -","- C9 H9 N3 O S -","- C72 H72 N24 O8 S8 -","8","2","","Carballo, Rosa; Pino-Cuevas, Arantxa; Vázquez-López, Ezequiel M.","Crystal structure of 1-(4-formylbenzylidene)thiosemicarbazone","Acta Crystallographica Section E","2014","70","9","o970","","10.1107/S1600536814017255","","","0.71073","MoKα","","0.0683","0.0399","","","0.0968","0.1192","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239858","12.8736","0.0004","8.7682","0.0003","17.453","0.0005","90","","105.222","0.002","90","","1900.95","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-hydroxido-bis{[<i>N</i>,<i>N</i>'-bis(2,6-dimethylphenyl)pentane-2,4-diiminato(1-)]zinc}","","- C42 H52 N4 O2 Zn2 -","- C42 H52 N4 O2 Zn2 -","- C84 H104 N8 O4 Zn4 -","2","0.5","","Goodner, Joshua A.; Powers, Brandon J.; Powell, Douglas R.; Yang, Lei","Crystal structure of di-μ-hydroxido-bis{[<i>N</i>,<i>N</i>'-bis(2,6-dimethylphenyl)pentane-2,4-diiminato(1‒)]zinc}","Acta Crystallographica Section E","2014","70","9","m320","m321","10.1107/S160053681401736X","","","0.71073","MoKα","","0.0297","0.0285","","","0.0779","0.0789","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239859","7.8128","0.0007","8.4641","0.0007","14.7427","0.0014","79.513","0.007","83.861","0.007","77.076","0.007","932.11","0.15","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-(4-Methoxystyryl)-2,3-dihydro-1<i>H</i>-perimidine acetonitrile monosolvate","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C44 H42 N6 O2 -","2","1","SU2762","Manimekalai, A.; Vijayalakshmi, N.; Selvanayagam, S.","Crystal structure of (<i>E</i>)-2-(4-methoxystyryl)-2,3-dihydro-1<i>H</i>-perimidine acetonitrile monosolvate","Acta Crystallographica Section E","2014","70","9","o959","","10.1107/S1600536814017000","","","1.54184","CuKα","","0.0549","0.0475","","","0.1338","0.142","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239860","14.3394","0.0012","10.0089","0.0016","29.562","0.003","90","","90","","90","","4242.8","0.9","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>'-Bis(diisopropylphosphanyl)-4-methylpyridine-2,6-diamine","","- C18 H35 N3 P2 -","- C18 H35 N3 P2 -","- C144 H280 N24 P16 -","8","1","SU0004","Stöger, Berthold; Weil, Matthias; Bichler, Bernhard; Eder, Wolfgang; Kirchner, Karl","Crystal structure of <i>N</i>,<i>N</i>'-bis(diisopropylphosphanyl)-4-methylpyridine-2,6-diamine","Acta Crystallographica Section E","2014","70","9","o889","o890","10.1107/S1600536814010976","","","0.71073","MoKα","","0.0499","0.0311","","","0.0434","0.0457","","","","","","1.39","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2239861","7.2491","0.0009","7.991","0.0009","10.5039","0.0013","111.954","0.006","106.411","0.006","90.111","0.006","537.38","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4,6-Dichloro-<i>N</i>-(2-chlorophenyl)-1,3,5-triazin-2-amine","","- C9 H5 Cl3 N4 -","- C9 H5 Cl3 N4 -","- C18 H10 Cl6 N8 -","2","1","HG5398","Jeon, Youngeun; Kim, Jineun; Kang, Gihang; Kim, Tae Ho","Crystal structure of anilazine","Acta Crystallographica Section E","2014","70","9","o923","","10.1107/S160053681401647X","","","0.71073","MoKα","","0.0381","0.034","","","0.0825","0.0865","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239862","10.47","0.005","21.353","0.005","9.292","0.005","90","","107.71","0.005","90","","1978.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Bromophenyl)-4-(1<i>H</i>-indol-3-yl)-6-(thiophen-2-yl)pyridine-3-carbonitrile","","- C24 H14 Br N3 S -","- C24 H14 Br N3 S -","- C96 H56 Br4 N12 S4 -","4","1","HB7260","Vishnupriya, R.; Suresh, J.; Bharkavi, Shanmugavel; Perumal, Subbu; Lakshman, P. L. Nilantha","Crystal structure of 2-(2-bromophenyl)-4-(1<i>H</i>-indol-3-yl)-6-(thiophen-2-yl)pyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","9","o968","o969","10.1107/S1600536814017188","","","0.71073","MoKα","","0.0851","0.0457","","","0.1051","0.1207","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239863","6.6773","0.0006","6.9433","0.0004","9.5135","0.0005","102.635","0.006","107.539","0.005","99.462","0.009","397.61","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,3,5,6-Tetrakis[(methylsulfanyl)methyl]pyrazine","","- C12 H20 N2 S4 -","- C12 H20 N2 S4 -","- C12 H20 N2 S4 -","1","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Crystal structure of 2,3,5,6-tetrakis[(methylsulfanyl)methyl]pyrazine","Acta Crystallographica Section E","2014","70","9","o887","o888","10.1107/S1600536814011246","","","0.71073","MoKα","","0.0383","0.0321","","","0.0831","0.088","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239864","6.62","0.003","9.243","0.004","11.07","0.004","90","","90.718","0.006","90","","677.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","8-hydroxyquinoline","8-Hydroxyquinoline","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","RK2430","Castañeda, Raúl; Antal, Sofia A.; Draguta, Sergiu; Timofeeva, Tatiana V.; Khrustalev, Victor N.","Crystal structure of 8-hydroxyquinoline: a new monoclinic polymorph","Acta Crystallographica Section E","2014","70","9","o924","o925","10.1107/S1600536814016110","","","0.71073","MoKα","","0.0468","0.0386","","","0.1055","0.1093","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239865","15.7272","0.0007","11.5164","0.0005","11.4048","0.0005","90","","99.005","0.004","90","","2040.19","0.16","180","0.1","180","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[aqua(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')cobalt(II)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>-[dicyanidoplatinum(II)]-μ-cyanido-κ^2^<i>C</i>:<i>N</i>]","","- C19 H13 Co N7 O Pt -","- C19 H13 Co N7 O Pt -","- C76 H52 Co4 N28 O4 Pt4 -","4","0.5","","White, Frankie; Sykora, Richard E.","Crystal structure of <i>catena</i>-poly[[aqua(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')cobalt(II)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>-[dicyanidoplatinum(II)]-μ-cyanido-κ^2^<i>C</i>:<i>N</i>]","Acta Crystallographica Section E","2014","70","9","m322","m323","10.1107/S1600536814017425","","","0.71073","MoKα","","0.0545","0.0338","","","0.0763","0.0907","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239866","7.723","0.0003","11.6834","0.0005","13.4582","0.0005","69.872","0.002","88.159","0.002","83.841","0.002","1133.58","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Diethyl [(4-chloroanilino)(4-hydroxyphenyl)methyl]phosphonate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C20 H28 Cl N2 O5 P -","- C20 H28 Cl N2 O5 P -","- C40 H56 Cl2 N4 O10 P2 -","2","1","","Wang, Qing-Ming; Zhu, Ming-Juan; Yang, Jin-Ming; Wang, Shan-Shan; Shang, Yan-Fang","Crystal structure of diethyl [(4-chloroanilino)(4-hydroxyphenyl)methyl]phosphonate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2014","70","9","o919","o920","10.1107/S1600536814016626","","","0.71073","MoKα","","0.0733","0.057","","","0.1584","0.1744","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239867","7.481","0.003","9.076","0.004","19.021","0.008","90","","95.471","0.005","90","","1285.6","0.9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,6-Bis[(1<i>H</i>-pyrazol-1-yl)methyl]pyridine","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","IS5371","Son, Kyung-sun; Woo, Jeong Oh; Kim, Daeyoung; Kang, Sung Kwon","Crystal structure of 2,6-bis[(1<i>H</i>-pyrazol-1-yl)methyl]pyridine","Acta Crystallographica Section E","2014","70","9","o973","","10.1107/S1600536814017474","","","0.71073","MoKα","","0.0869","0.0604","","","","0.1489","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239868","7.1774","0.0008","15.7931","0.0016","10.7901","0.0011","90","","101.798","0.006","90","","1197.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-2-[(<i>E</i>)-2-(4-methylphenyl)ethenyl]-4-nitro-1<i>H</i>-imidazole","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","LH5721","Alliouche, Hayette; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali","Crystal structure of 1-methyl-2-[(<i>E</i>)-2-(4-methylphenyl)ethenyl]-4-nitro-1<i>H</i>-imidazole","Acta Crystallographica Section E","2014","70","9","o962","o963","10.1107/S1600536814017243","","","0.71073","MoKα","","0.0377","0.0352","","","0.0923","0.0944","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239869","13.5223","0.0004","6.23222","0.00015","22.2941","0.0006","90","","106.15","0.003","90","","1804.67","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","HB7258","Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, H. S.; Yamuna, Thammarse S.; Byrappa, K.","Crystal structure of <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide","Acta Crystallographica Section E","2014","70","9","o951","o952","10.1107/S1600536814016948","","","1.54184","CuKα","","0.0421","0.0368","","","0.1004","0.1053","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239870","12.9805","0.0007","13.2085","0.0008","16.7175","0.001","105.713","0.002","103.367","0.002","91.051","0.002","2674.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-Amino-5'-chloro-6-(4-chlorobenzoyl)-8-nitro-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indolin]-2'-one","","- C21 H15 Cl2 N5 O4 -","- C21 H15 Cl2 N5 O4 -","- C84 H60 Cl8 N20 O16 -","4","2","SU2757","Nagalakshmi, R. A.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structure of 5-amino-5'-chloro-6-(4-chlorobenzoyl)-8-nitro-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indolin]-2'-one including an unknown solvent molecule","Acta Crystallographica Section E","2014","70","9","o971","o972","10.1107/S1600536814017486","","","0.71073","MoKα","","0.0916","0.0583","","","0.1685","0.1805","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239871","18.9343","0.0011","11.6347","0.0006","20.98","0.0012","90","","92.511","0.002","90","","4617.3","0.4","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[4-(2-Methoxyphenyl)-3-methyl-1-phenyl-6-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl](thiophen-2-yl)methanone","","- C26 H18 F3 N3 O2 S -","- C26 H18 F3 N3 O2 S -","- C208 H144 F24 N24 O16 S8 -","8","1","HG5397","Rajni Swamy, V.; Gunasekaran, P.; Krishnakumar, R. V.; Srinivasan, N.; Müller, P.","Crystal structure of [4-(2-methoxyphenyl)-3-methyl-1-phenyl-6-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl](thiophen-2-yl)methanone","Acta Crystallographica Section E","2014","70","9","o974","o975","10.1107/S1600536814017437","","","0.71073","MoKα","","0.075","0.0475","","","0.1191","0.1384","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239872","9.9006","0.0016","10.5544","0.0017","12.448","0.003","109.197","0.005","100.205","0.005","108.94","0.003","1101.7","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Tris[μ-(η^5^:η^5^)-1,1'-bicyclopentadienyl]triiron(II)","","- C30 H24 Fe3 -","- C30 H24 Fe3 -","- C60 H48 Fe6 -","2","1","","Shekurov, Ruslan; Miluykov, Vasili; Kataeva, Olga; Tufatullin, Artem; Sinyashin, Oleg","Crystal structure of cyclic tris(ferrocene-1,1'-diyl)","Acta Crystallographica Section E","2014","70","9","m318","m319","10.1107/S1600536814017346","","","0.71073","MoKα","","0.0799","0.0512","","","0.0724","0.0761","","","","","","1.311","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239873","5.308","0.003","7.709","0.004","14.109","0.007","96.911","0.008","99.21","0.008","90.511","0.009","565.5","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-Methoxy-<i>N</i>-phenylbenzamide","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C28 H26 N2 O4 -","2","1","","Wang, Zhijun; Lei, Haiying; Jin, Linhua; Zhu, Ruitao","Crystal structure of 4-methoxy-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2014","70","9","o921","","10.1107/S1600536814016420","","","0.71073","MoKα","","0.0478","0.0356","","","0.0872","0.0974","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239874","16.4498","0.0017","6.0691","0.0004","21.605","0.003","90","","93.885","0.009","90","","2152","0.4","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2,5-Bis(4-methylpyridin-2-yl)pyrazine chloroform disolvate","","- C18 H16 Cl6 N4 -","- C18 H16 Cl6 N4 -","- C72 H64 Cl24 N16 -","4","0.5","","Schmitt, Laurette; Stoeckli-Evans, Helen","Crystal structure of 2,5-bis(4-methylpyridin-2-yl)pyrazine chloroform disolvate","Acta Crystallographica Section E","2014","70","9","o893","o894","10.1107/S1600536814009544","","","0.71073","MoKα","","0.045","0.0402","","","0.1086","0.112","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239875","7.94506","0.00013","10.17919","0.00016","14.8052","0.0003","90","","90","","90","","1197.36","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-(prop-2-ynyloxy)-TEMPO","4-(Prop-2-ynyloxy)-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C12 H20 N O2 -","- C12 H20 N O2 -","- C48 H80 N4 O8 -","4","1","HB7267","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Crystal structure of 4-(prop-2-ynyloxy)-2,2,6,6-tetramethylpiperidin-1-oxyl","Acta Crystallographica Section E","2014","70","9","130","133","10.1107/S1600536814017991","","","1.54184","CuKα","","0.0485","0.043","","","0.1207","0.1229","","","","","","1.151","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239876","28.804","0.006","6.176","0.0012","13.922","0.003","90","","90","","90","","2476.6","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(4-Chlorophenyl)ethanone <i>O</i>-dehydroabietyloxime","","- C28 H34 Cl N O2 -","- C28 H34 Cl N O2 -","- C112 H136 Cl4 N4 O8 -","4","1","HB7249","Zheng, Jian-Qiang; Cui, Yan-Jie; Rao, Xiao-Ping","Crystal structure of (<i>E</i>)-1-(4-chlorophenyl)ethanone <i>O</i>-dehydroabietyloxime","Acta Crystallographica Section E","2014","70","9","o899","o900","10.1107/S1600536814015888","","","0.71073","MoKα","","0.1368","0.0692","","","0.1591","0.2051","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239877","8.2023","0.0001","10.6312","0.0002","10.8957","0.0002","117.523","0.001","93.095","0.001","103.166","0.001","806.36","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(3-Chloro-1-methyl-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide","","- C15 H14 Cl N3 O3 S -","- C15 H14 Cl N3 O3 S -","- C30 H28 Cl2 N6 O6 S2 -","2","1","HB7261","Chicha, Hakima; Rakib, El Mostapha; Gamouh, Ahmed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of <i>N</i>-(3-chloro-1-methyl-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2014","70","9","o983","o984","10.1107/S1600536814017747","","","0.71073","MoKα","","0.0484","0.0382","","","0.1074","0.116","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239878","11.432","0.002","7.6567","0.0014","10.115","0.002","90","","98.688","0.007","90","","875.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(3-Hydroxyphenyl)succinimide","1-(3-Hydroxyphenyl)pyrrolidine-2,5-dione","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","SU2752","Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Sreenivasa, S.","Crystal structure of <i>N</i>-(3-hydroxyphenyl)succinimide","Acta Crystallographica Section E","2014","70","9","o927","","10.1107/S1600536814016328","","","1.54178","CuKα","","0.046","0.044","","","0.126","0.1397","","","","","","1.199","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239879","8.5649","0.0003","9.4364","0.0003","10.8051","0.0004","88.838","0.003","87.482","0.003","82.843","0.003","865.55","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","Allylammonium hydrogen succinate","","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C28 H52 N4 O16 -","4","2","BG2532","Dziuk, Błażej; Zarychta, Bartosz; Ejsmont, Krzysztof","Crystal structure of allylammonium hydrogen succinate at 100K","Acta Crystallographica Section E","2014","70","9","o917","o918","10.1107/S1600536814015633","","","0.71073","MoKα","","0.0482","0.0359","","","0.0896","0.0928","","","","","","1.097","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239880","11.4621","0.0008","16.9351","0.0011","12.2704","0.0009","90","","97.478","0.006","90","","2361.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-1-(3,4-Dichlorophenyl)-3-methyl-4-[(naphthalen-1-ylamino)(<i>p</i>-tolyl)methylidene]-1<i>H</i>-pyrrol-5(4<i>H</i>)-one","","- C28 H21 Cl2 N3 O -","- C28 H21 Cl2 N3 O -","- C112 H84 Cl8 N12 O4 -","4","1","","Sharma, Naresh; Parihar, Sanjay; Jadeja, R.N.; Kant, Rajni; Gupta, Vivek K.","Crystal structure of (<i>Z</i>)-1-(3,4-dichlorophenyl)-3-methyl-4-[(naphthalen-1-ylamino)(<i>p</i>-tolyl)methylidene]-1<i>H</i>-pyrrol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2014","70","9","o955","o956","10.1107/S1600536814017140","","","0.71073","MoKα","","0.0942","0.0514","","","0.1106","0.1374","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239881","10.5345","0.0004","10.8341","0.0004","21.8169","0.001","97.241","0.002","92.12","0.002","118.901","0.002","2148.72","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-[(<i>E</i>)-4-Benzyloxy-2-hydroxybenzylidene]-<i>N</i>-cyclohexylhydrazinecarbothioamide acetonitrile hemisolvate","","- C22 H26.5 N3.5 O2 S -","- C22 H26.5 N3.5 O2 S -","- C88 H106 N14 O8 S4 -","4","2","","Sajitha, N. R.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","Crystal structure of 2-[(<i>E</i>)-4-benzyloxy-2-hydroxybenzylidene]-<i>N</i>-cyclohexylhydrazinecarbothioamide acetonitrile hemisolvate","Acta Crystallographica Section E","2014","70","9","o987","o988","10.1107/S1600536814017905","","","0.71073","MoKα","","0.0653","0.0456","","","0.1197","0.1357","","","","","","1.029","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2239882","12.9549","0.0005","14.528","0.0005","13.8522","0.0004","90","","100.433","0.002","90","","2564","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 6-methoxy-11-(4-methoxyphenyl)-16-methyl-14-phenyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.0^2,7^.0^13,17^]heptadeca-2(7),3,5,13(17),15-pentaene-10-carboxylate","","- C30 H28 N2 O6 -","- C30 H28 N2 O6 -","- C120 H112 N8 O24 -","4","1","HB7257","Vinayagam, V.; Bakthadoss, M.; Murugavel, S.; Manikandan, N.","Crystal structure of methyl 6-methoxy-11-(4-methoxyphenyl)-16-methyl-14-phenyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.0^2,7^.0^13,17^]heptadeca-2(7),3,5,13(17),15-pentaene-10-carboxylate","Acta Crystallographica Section E","2014","70","9","127","129","10.1107/S1600536814017929","","","0.71073","MoKα","","0.0518","0.0368","","","0.0889","0.0983","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239883","7.8781","0.0007","8.6928","0.0007","11.0999","0.001","67.361","0.004","78.21","0.004","77.119","0.004","677.97","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","3-({[(Thiophen-2-yl)methylidene]hydrazinyl}carbonyl)pyridinium chloride dihydrate","","- C11 H14 Cl N3 O3 S -","- C11 H14 Cl N3 O3 S -","- C22 H28 Cl2 N6 O6 S2 -","2","1","WM5042","Chandrasekaran, Thangayyah; Suresh, Mani; Josephine Novina, John; Syed Ali Padusha, Mohamed Khan; Vasuki, Gopalsamy; Kasthuri, Balasubramani","Crystal structure of 3-({[(thiophen-2-yl)methylidene]hydrazinyl}carbonyl)pyridinium chloride dihydrate","Acta Crystallographica Section E","2014","70","9","o976","o977","10.1107/S1600536814017565","","","0.71073","MoKα","","0.0423","0.0366","","","0.1132","0.1194","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239884","5.6744","0.0007","22.384","0.003","5.9991","0.0007","90","","105.372","0.012","90","","734.72","0.16","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>^1^-Benzyl-<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^2^-trimethylethane-1,2-diaminium dichloride","","- C12 H22 Cl2 N2 -","- C12 H22 Cl2 N2 -","- C24 H44 Cl4 N4 -","2","1","HB7244","Singh, Pushpendra; Singh, Harkesh B.; Butcher, Ray J.","Crystal structure of <i>N</i>^1^-benzyl-<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^2^-trimethylethane-1,2-diaminium dichloride","Acta Crystallographica Section E","2014","70","9","o911","o912","10.1107/S1600536814015797","","","1.54178","CuKα","","0.083","0.0823","","","0.2283","0.229","","","","","","1.125","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239885","7.512","0.004","9.759","0.005","9.811","0.005","76.071","0.01","72.021","0.01","86.037","0.01","664","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-chloro-5,8-dimethoxyquinoline-3-carboxylate","","- C14 H14 Cl N O4 -","- C14 H14 Cl N O4 -","- C28 H28 Cl2 N2 O8 -","2","1","HG5402","Hayour, Hasna; Bouraiou, Abdelmalek; Bouacida, Sofiane; Benzerka, Saida; Belfaitah, Ali","Crystal structure of ethyl 2-chloro-5,8-dimethoxyquinoline-3-carboxylate","Acta Crystallographica Section E","2014","70","9","o964","o965","10.1107/S1600536814017309","","","0.71073","MoKα","","0.0498","0.0358","","","0.0936","0.1027","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239886","11.1696","0.0017","16.161","0.002","16.004","0.002","90","","93.458","0.003","90","","2883.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[aqua[μ-1,1'-(9,9-dimethyl-9<i>H</i>-fluoren-2,7-diyl)di-1<i>H</i>-\ imidazole](μ-naphthalene-1,4-dicarboxylato)nickel(II)]","","- C33 H26 N4 Ni O5 -","- C33 H26 N4 Ni O5 -","- C132 H104 N16 Ni4 O20 -","4","1","NC2327","Zou, Hengye; Qi, Yanjuan","Crystal structure of poly[aqua[μ-1,1'-(9,9-dimethyl-9<i>H</i>-fluoren-2,7-diyl)di-1<i>H</i>-imidazole](μ-naphthalene-1,4-dicarboxylato)nickel(II)]","Acta Crystallographica Section E","2014","70","9","m324","m325","10.1107/S1600536814017681","","","0.71073","MoKα","","0.0969","0.058","","","0.1449","0.1668","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239887","5.8231","0.0003","14.3214","0.0006","21.7365","0.0008","90","","90","","90","","1812.71","0.14","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Ethylquinazoline-4(3<i>H</i>)-thione","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C80 H80 N16 S8 -","8","1","","Alshammari, Mohammed B.; Smith, Keith; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Crystal structure of 2-ethylquinazoline-4(3<i>H</i>)-thione","Acta Crystallographica Section E","2014","70","9","o953","","10.1107/S160053681401664X","","","0.71073","MoKα","","0.0375","0.0325","","","0.0834","0.0868","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239888","7.9339","0.0018","8.1994","0.0019","10.452","0.003","68.877","0.017","75.037","0.017","76.182","0.017","604.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-Methyl-2-[(<i>E</i>)-2-(2-methoxphenyl)ethenyl]-4-nitro-1<i>H</i>-imidazole","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","HG5400","Alliouche, Hayette; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali","Crystal structure of (<i>E</i>)-1-methyl-2-[2-(2-methoxphenyl)ethenyl]-4-nitro-1<i>H</i>-imidazole","Acta Crystallographica Section E","2014","70","9","o966","o967","10.1107/S1600536814017206","","","0.71073","MoKα","","0.1151","0.0877","","","0.2476","0.2819","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239889","9.0839","0.0003","15.5367","0.0006","11.3161","0.0005","90","","104.324","0.004","90","","1547.43","0.11","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>N</i>^1^-Benzyl-<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^2^-trimethylethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')dichloridomercury(II)","","- C12 H20 Cl2 Hg N2 -","- C12 H20 Cl2 Hg N2 -","- C48 H80 Cl8 Hg4 N8 -","4","1","WM5031","Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.","Crystal structure of (N1-benzyl-N1,N2,N2-trimethylethane-1,2-diamine-κ2N,N′)dichloridomercury(II)","Acta Crystallographica Section E Structure Reports Online","2014","70","9","118","","10.1107/S1600536814017516","","","0.71073","MoKα","","0.0906","0.0439","","","0.0632","0.0737","","","","","","0.962","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239890","9.6793","0.0007","16.3059","0.0012","11.9205","0.0008","90","","106.128","0.002","90","","1807.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxyphenyl)-7,7-dimethyl-2-methylamino-3-nitro-7,8-dihydro-4<i>H</i>-chromen-5(6<i>H</i>)-one","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C76 H88 N8 O20 -","4","1","SU2750","Inglebert, S. Antony; Kamalraja, Jayabal; Sethusankar, K.; Perumal, Paramasivam T.","Crystal structure of 4-(4-methoxyphenyl)-7,7-dimethyl-2-methylamino-3-nitro-7,8-dihydro-4<i>H</i>-chromen-5(6<i>H</i>)-one","Acta Crystallographica Section E","2014","70","9","o901","o902","10.1107/S160053681401589X","","","0.71073","MoKα","","0.0732","0.0426","","","0.1128","0.14","","","","","","1.041","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239891","8.2139","0.0001","11.6117","0.0002","13.882","0.0002","90","","90","","90","","1324.03","0.03","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-3-Menthone thiosemicarbazone","(<i>E</i>)-2-[(2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexylidene]hydrazine-1-carbothioamide","","- C11 H21 N3 S -","- C11 H21 N3 S -","- C44 H84 N12 S4 -","4","1","","de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; de Farias, Renan Lira; de Godoy Netto, Adelino Vieira","Crystal structure of (<i>E</i>)-2-[(2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexylidene]hydrazine-1-carbothioamide","Acta Crystallographica Section E","2014","70","9","o903","o904","10.1107/S1600536814015980","","","0.71073","MoKα","","0.0283","0.0246","","","0.0575","0.0595","","","","","","1.049","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239892","6.134","0.0001","23.0602","0.0005","10.8806","0.0002","90","","91.166","0.001","90","","1538.76","0.05","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-bromo-2-(3-fluorophenyl)-1-(methylsulfinyl) naphtho[2,1-<i>b</i>]furan","","- C19 H12 Br F O2 S -","- C19.002 H12 Br F O2 S -","- C76.008 H48 Br4 F4 O8 S4 -","4","1","TK5335","Choi, Hong Dae; Lee, Uk","Crystal structure of 7-bromo-2-(3-fluorophenyl)-1-(methylsulfinyl)naphtho[2,1-<i>b</i>]furan","Acta Crystallographica Section E","2014","70","9","o1001","o1002","10.1107/S160053681401808X","","","0.71073","MoKα","","0.054","0.037","","","0.0907","0.0976","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239893","13.03","0.003","11.9","0.003","8.331","0.002","90","","95.409","0.003","90","","1286","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-Benzylidene-1-methyl-4-nitro-1<i>H</i>-pyrrole-2-carbohydrazide","","- C13 H12 N4 O3 -","- C13 H12 N4 O3 -","- C52 H48 N16 O12 -","4","1","BT6990","Wang, Zhijun; Zhou, Chengyong; Yan, Lei; Wang, Jinglin","Crystal structure of (<i>E</i>)-<i>N</i>'-benzylidene-1-methyl-4-nitro-1<i>H</i>-pyrrole-2-carbohydrazide","Acta Crystallographica Section E","2014","70","9","o995","","10.1107/S1600536814018054","","","0.71073","MoKα","","0.0887","0.0466","","","0.1078","0.1352","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239894","4.8041","0.0007","10.8564","0.0015","10.3862","0.0015","90","","101.067","0.002","90","","531.62","0.13","294","2","294","2","","","","","","","","6","P 1 c 1","P -2yc","7","","4-Sulfamoylanilinium dihydrogen phosphate","","- C6 H11 N2 O6 P S -","- C6 H11 N2 O6 P S -","- C12 H22 N4 O12 P2 S2 -","2","1","HB7251","Muthuselvi, C.; Mala, N.; Srinivasan, N.; Pandiarajan, S.; Krishnakumar, R. V.","Crystal structure of 4-sulfamoylanilinium dihydrogen phosphate","Acta Crystallographica Section E","2014","70","9","o997","o998","10.1107/S1600536814017462","","","0.71073","MoKα","","0.0211","0.021","","","0.0553","0.0554","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239895","8.2009","0.0007","9.2917","0.0008","18.2684","0.0015","90","","96.322","0.002","90","","1383.6","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(3,4-Dimethoxyphenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","","Yoo, Jin Sil; Lim, Yoongho; Koh, Dongsoo","Crystal structure of 2-(3,4-dimethoxyphenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2014","70","9","o999","o1000","10.1107/S1600536814018212","","","0.71073","MoKα","","0.0901","0.0528","","","0.1277","0.2037","","","","","","1.197","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239896","10.687","0.002","15.264","0.003","12.242","0.003","90","","102.808","0.006","90","","1947.3","0.7","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Phenyl-2λ^4^,3-ditelluratetracyclo[5.5.2.0^4,13^.0^10,14^]tetradeca-1(12),4,6,10,13-pentaen-2-ylium trifluoromethanesulfonate","","- C19 H13 F3 O3 S Te2 -","- C19 H13 F3 O3 S Te2 -","- C76 H52 F12 O12 S4 Te8 -","4","1","TK5334","Diamond, Louise M.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Crystal structure of 2-phenyl-2λ^4^,3-ditelluratetracyclo[5.5.2.0^4,13^.0^10,14^]tetradeca-1(12),4,6,10,13-pentaen-2-ylium trifluoromethanesulfonate","Acta Crystallographica Section E","2014","70","9","o1003","o1004","10.1107/S1600536814018170","","","0.71075","MoKα","","0.0493","0.0409","","","0.0942","0.0998","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239897","3.858","0.0018","6.054","0.004","37.268","0.013","90","","90.39","0.04","90","","870.4","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Bromo-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H5 Br O3 -","- C10 H5 Br O3 -","- C40 H20 Br4 O12 -","4","1","","Ishikawa, Yoshinobu","Crystal structure of 7-bromo-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","9","o996","","10.1107/S1600536814018108","","","0.71069","MoKα","","","0.0376","","","","0.1089","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239898","12.8494","0.0008","8.1434","0.0005","15.5918","0.001","90","","98.926","0.002","90","","1611.73","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetato-κ<i>O</i>)diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)","","- C14 H18 Mn N2 O6 -","- C14 H18 Mn N2 O6 -","- C56 H72 Mn4 N8 O24 -","4","1","GW2147","Saravanan, Natarajan; Selvam, Parasuraman","Crystal structure of bis(acetato-κ<i>O</i>)diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)","Acta Crystallographica Section E","2014","70","9","m326","m327","10.1107/S1600536814017814","","","0.71073","MoKα","","0.0349","0.0285","","","0.0706","0.0756","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239899","11.8435","0.0005","13.947","0.0007","14.009","0.0007","102.568","0.004","111.4","0.005","108.583","0.005","1890.4","0.2","180","","180","","","","","","","","","5","P -1","-P 1","2","","Di-μ-benzato-κ^4^<i>O</i>:<i>O</i>'-bis[aqua(benzato-κ<i>O</i>)(benzato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')europium(III)]‒benzoic acid (1/2)","","- C86 H68 Eu2 N6 O18 -","- C86 H68 Eu2 N6 O18 -","- C86 H68 Eu2 N6 O18 -","1","0.5","","White, Frankie; Sykora, Richard E.","Crystal structure of di-μ-benzato-κ^4^<i>O</i>:<i>O</i>'-bis[aqua(benzato-κ<i>O</i>)(benzato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')europium(III)]‒benzoic acid (1/2)","Acta Crystallographica Section E","2014","70","9","m328","m329","10.1107/S1600536814018182","","","0.71073","MoKα","","0.0511","0.039","","","0.0653","0.07","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239900","5.373","0.005","7.575","0.007","14.127","0.012","75.83","0.04","87.73","0.03","72.99","0.03","532.8","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(4-chloroanilino)acetate","","- C10 H12 Cl N O2 -","- C10 H12 Cl N O2 -","- C20 H24 Cl2 N2 O4 -","2","1","HB7269","Bouali, Jamila; Hafid, Abderrafia; Khouili, Mostafa; Saadi, Mohamed; Ketatni, El Mostafa","Crystal structure of ethyl 2-(4-chloroanilino)acetate","Acta Crystallographica Section E","2014","70","9","o1017","","10.1107/S1600536814018297","","","0.71073","MoKα","","0.0665","0.0462","","","0.1219","0.1361","","","","","","1.034","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239901","9.7888","0.0002","16.9476","0.0003","12.2863","0.0003","90","","90.6654","0.0019","90","","2038.12","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]-2-[(<i>E</i>)-(2-hydroxybenzylidene)amino]acetamide","","- C22 H19 Cl N2 O3 S -","- C22 H19 Cl N2 O3 S -","- C88 H76 Cl4 N8 O12 S4 -","4","1","ZS2311","Kaur, Manpreet; Jasinski, Jerry P.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Byrappa, K.","Crystal structure of <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-2-[(<i>E</i>)-(2-hydroxybenzylidene)amino]acetamide","Acta Crystallographica Section E","2014","70","9","o1011","o1012","10.1107/S1600536814018224","","","1.54184","CuKα","","0.0423","0.0366","","","0.0977","0.1024","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239902","9.4557","0.0004","16.6411","0.0007","8.4319","0.0003","90","","105.644","0.002","90","","1277.64","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl (<i>E</i>)-4-(4-chlorophenyl)-4-methoxy-2-oxobut-3-enoate","","- C13 H13 Cl O4 -","- C13 H13 Cl O4 -","- C52 H52 Cl4 O16 -","4","1","TK5332","Flores, Darlene Correia; de Vicenti, Juliano Rosa; Pereira, Bruna Ávila; da Silva, Gabriele Marques Dias; Zambiazi, Priscilla Jussiane","Crystal structure of ethyl (<i>E</i>)-4-(4-chlorophenyl)-4-methoxy-2-oxobut-3-enoate","Acta Crystallographica Section E","2014","70","9","o1025","","10.1107/S1600536814017280","","","0.71073","MoKα","","0.0536","0.045","","","0.1256","0.1354","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239903","16.032","0.004","12.605","0.004","17.259","0.005","90","","99.033","0.007","90","","3444.5","1.7","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Propane-1,3-diylbis(piperidine-4,1-diyl)]bis[(pyridin-4-yl)methanone]‒4,4'-oxydibenzoic acid (1/1)","4-{[4-(3-{1-[(pyridin-4-yl)carbonyl]piperidin-4-yl}propyl)piperidin-1-yl]carbonyl}pyridine‒4,4'-oxydibenzoic acid (1/1)","","- C39 H42 N4 O7 -","- C39 H42 N4 O7 -","- C156 H168 N16 O28 -","4","1","","Low, Emily M.; LaDuca, Robert L.","Crystal structure of [propane-1,3-diylbis(piperidine-4,1-diyl)]bis[(pyridin-4-yl)methanone]‒4,4'-oxydibenzoic acid (1/1)","Acta Crystallographica Section E","2014","70","9","o1022","","10.1107/S160053681401811X","","","0.71073","MoKα","","0.1168","0.0552","","","0.1217","0.1533","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239904","13.4821","0.0009","6.8479","0.0004","18.4895","0.0012","90","","100.443","0.006","90","","1678.75","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(<i>E</i>)-(4-chlorobenzylidene)amino]-3-(2-methylbenzyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C17 H15 Cl N4 S -","- C17 H15 Cl N4 S -","- C68 H60 Cl4 N16 S4 -","4","1","","Kamni; Sarojini, B. K.; Manjula, P. S.; Narayana, B.; Anthal, Sumati; Kant, Rajni","Crystal structure of 4-[(<i>E</i>)-(4-chlorobenzylidene)amino]-3-(2-methylbenzyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2014","70","9","o1015","o1016","10.1107/S1600536814018352","","","0.71073","MoKα","","0.0757","0.0447","","","0.0963","0.1154","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239905","5.8326","0.0002","17.8578","0.0006","15.6469","0.0005","90","","91.136","0.003","90","","1629.42","0.09","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-[4-(1-Methylethyl)phenyl]-1-(naphthalen-2-yl)prop-2-en-1-one","","- C22 H20 O -","- C22 H20 O -","- C88 H80 O4 -","4","1","BG2534","Assia, Sid; Amel, Messai; Nouara, Ziani; Mahieddine, Mokhtari; Kaddour, Lamara","Crystal structure of 3-[4-(1-methylethyl)phenyl]-1-(naphthalen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","9","o1009","o1010","10.1107/S1600536814017528","","","1.5418","CuKα","","0.0375","0.0353","","","0.0947","0.0968","","","","","","1.043","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239906","9.9374","0.0002","16.1534","0.0004","13.053","0.0003","90","","100.308","0.001","90","","2061.49","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,9-Diphenyl-17λ^6^-thiatetracyclo[8.7.0.0^3,8^.0^11,16^]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene-17,17-dione","","- C28 H18 O2 S -","- C28 H18 O2 S -","- C112 H72 O8 S4 -","4","1","","Gopinath, S.; Narayanan, P.; Sethusankar, K.; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","Crystal structure of 2,9-diphenyl-17λ^6^-thiatetracyclo[8.7.0.0^3,8^.0^11,16^]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene-17,17-dione","Acta Crystallographica Section E","2014","70","9","o1013","o1014","10.1107/S1600536814017838","","","0.71073","MoKα","","0.0439","0.0353","","","0.0963","0.1044","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239907","11.5511","0.0011","11.9083","0.001","12.6336","0.0011","80.941","0.002","72.869","0.001","87.253","0.002","1640","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","[[2-(3,5-Di-<i>tert</i>-butyl-2-oxobenzylideneamino)-2'-oxo-6,6'-dimethyl-1,1'-biphenyl-κ^3^<i>N</i>,<i>O</i>^1^,<i>O</i>^2^]bis(isopropoxido-κ<i>O</i>)titanium(IV)]","","- C35 H47 N O4 Ti -","- C35 H47 N O4 Ti -","- C70 H94 N2 O8 Ti2 -","2","1","","Chen, Liang; Wang, Huiran; Deng, Xuebin","Crystal structure of [[2-(3,5-di-<i>tert</i>-butyl-2-oxobenzylideneamino)-2'-oxo-6,6'-dimethyl-1,1'-biphenyl-κ^3^<i>N</i>,<i>O</i>^1^,<i>O</i>^2^]bis(isopropoxido-κ<i>O</i>)titanium(IV)]","Acta Crystallographica Section E","2014","70","9","m332","","10.1107/S1600536814018455","","","0.71073","MoKα","","0.0533","0.043","","","0.1068","0.1135","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239908","20.146","0.005","14.513","0.005","6.187","0.005","90","","94.828","0.005","90","","1802.5","1.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-[(2<i>E</i>)-3-(4-Methoxyphenyl)prop-2-enoyl]phenyl benzoate","","- C23 H18 O4 -","- C23 H18 O4 -","- C92 H72 O16 -","4","1","","Sathya, S.; Reuben Jonathan, D.; Prathebha, K.; Jovita, J.; Usha, G.","Crystal structure of 4-[(2<i>E</i>)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl benzoate","Acta Crystallographica Section E","2014","70","9","o1007","","10.1107/S1600536814018303","","","0.71073","MoKα","","0.0801","0.0561","","","0.1752","0.1951","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239909","8.2757","0.0002","9.674","0.0002","10.1564","0.0002","76.655","0.001","75.673","0.001","76.355","0.001","752.64","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-2,7-dimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C17 H15 Cl O3 S -","- C17 H15 Cl O3 S -","- C34 H30 Cl2 O6 S2 -","2","1","HB7272","Choi, Hong Dae; Lee, Uk","Crystal structure of 5-chloro-2,7-dimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","9","o1018","o1019","10.1107/S1600536814018339","","","0.71073","MoKα","","0.0407","0.0354","","","0.0951","0.0989","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239910","4.472","0.004","5.353","0.004","17.573","0.012","90","","93.71","0.04","90","","419.8","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Ethylpyrazolo[3,4-<i>d</i>]pyrimidine-4(5<i>H</i>)-thione","","- C7 H8 N4 S -","- C7 H8 N4 S -","- C14 H16 N8 S2 -","2","1","HB7262","El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 1-ethylpyrazolo[3,4-<i>d</i>]pyrimidine-4(5<i>H</i>)-thione","Acta Crystallographica Section E","2014","70","9","o1005","o1006","10.1107/S160053681401825X","","","0.71073","MoKα","","0.0895","0.0531","","","0.1183","0.1387","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239911","9.6265","0.0004","11.1329","0.0004","13.8252","0.0005","110.646","0.003","100.708","0.003","102.762","0.003","1294.58","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","1-Benzoyl-3-(4-fluorophenyl)thiourea","1-Benzoyl-3-(4-fluorophenyl)thiourea","","- C14 H11 F N2 O S -","- C14 H11 F N2 O S -","- C56 H44 F4 N8 O4 S4 -","4","2","","Jassas, Rabab Sharaf; Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Zayed, Mohie E. M.; Mustafa, Ghulam","Crystal Structure of 1-benzoyl-3-(4-fluorophenyl)thiourea","Acta Crystallographica Section E","2014","70","9","o1023","o1024","10.1107/S1600536814018376","","","1.54184","CuKα","","0.0402","0.0357","","","0.0975","0.102","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239912","9.2226","0.0011","14.0333","0.0013","10.9206","0.0011","90","","102.355","0.011","90","","1380.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{2-[({2-[(2-Aminoethyl)amino]ethyl}imino)methyl]phenolato}aquacopper(II) bromide","","- C11 H18 Br Cu N3 O2 -","- C11 H18 Br Cu N3 O2 -","- C44 H72 Br4 Cu4 N12 O8 -","4","1","","Plyuta, Nataliya I.; Rusanova, Julia A.; Petrusenko, Svitlana R.; Omelchenko, Irina V.","Crystal structure of {2-[({2-[(2-aminoethyl)amino]ethyl}imino)methyl]phenolato}aquacopper(II) bromide","Acta Crystallographica Section E","2014","70","9","m330","m331","10.1107/S1600536814017590","","","0.71073","MoKα","","0.114","0.0523","","","0.0822","0.0965","","","","","","0.953","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239913","12.769","0.003","9.4607","0.0002","13.0022","0.0004","90","","108.145","0.001","90","","1492.6","0.4","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","HG5405","Zukerman-Schpector, Julio; Maganhi, Stella H.; Moran, Paulo J. S.; de Paula, Bruno R. S.; Nucci Jr, Paulo R.; Tiekink, Edward R. T.","Crystal structure of (3<i>E</i>)-3-(4-nitrophenoxymethyl)-4-phenylbut-3-en-2-one","Acta Crystallographica Section E","2014","70","9","o1020","o1021","10.1107/S1600536814018327","","","0.71073","MoKα","","0.0497","0.0381","","","0.1041","0.1133","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239914","3.8612","0.0005","15.28","0.003","18.604","0.003","90","","90.347","0.008","90","","1097.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-[(4-hydroxybenzylidene)azaniumyl]benzoate","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","HB7268","Tahir, M. Nawaz; Khan, Abdul Haleem; Shad, Hazoor Ahmad","Crystal structure of (<i>E</i>)-2-[(4-hydroxybenzylidene)azaniumyl]benzoate","Acta Crystallographica Section E","2014","70","9","o1008","","10.1107/S1600536814018273","","","0.71073","MoKα","","0.1077","0.0587","","","0.0988","0.1235","","","","","","1.147","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239915","8.2699","0.0007","13.1235","0.0012","10.0026","0.0009","90","","110.379","0.005","90","","1017.64","0.16","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>N</i>-(1-Allyl-3-chloro-4-ethoxy-1<i>H</i>-indazol-5-yl)-4-\ methoxybenzenesulfonamide","","- C19 H20 Cl N3 O4 S -","- C19 H20 Cl N3 O4 S -","- C38 H40 Cl2 N6 O8 S2 -","2","1","SU2771","Chicha, Hakima; Rakib, El Mostapha; Bouissane, Latifa; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of <i>N</i>-(1-allyl-3-chloro-4-ethoxy-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2014","70","9","o1029","o1030","10.1107/S1600536814018492","","","0.71073","MoKα","","0.0448","0.035","","","0.0816","0.0877","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239916","7.2269","0.0008","24.655","0.003","9.6933","0.0011","90","","92.533","0.0017","90","","1725.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[4-amino-5-cyano-6-(methylsulfanyl)pyridin-2-yl]-2-(cyclohexylsulfanyl)acetamide","","- C15 H20 N4 O S2 -","- C15 H20 N4 O S2 -","- C60 H80 N16 O4 S8 -","4","1","BH2502","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hussein, Bahgat R. M.; Albayati, Mustafa R.","Crystal structure of <i>N</i>-[4-amino-5-cyano-6-(methylsulfanyl)pyridin-2-yl]-2-(cyclohexylsulfanyl)acetamide","Acta Crystallographica Section E","2014","70","9","o1031","o1032","10.1107/S1600536814018534","","","0.71073","MoKα","","0.0529","0.0402","","","0.0968","0.1062","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239917","6.7915","0.0017","9.196","0.003","13.941","0.003","95.831","0.013","101.214","0.01","90.85","0.015","849.1","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","BPTZCNCOOH","(<i>E</i>)-2-Cyano-3-(12-methyl-12<i>H</i>-benzo[<i>b</i>]phenothiazin-11-yl)acrylic acid","","- C21 H14 N2 O2 S -","- C21 H14 N2 O2 S -","- C42 H28 N4 O4 S2 -","2","1","","Watanabe, Motonori; Ishihara, Tatsumi","Crystal structure of (<i>E</i>)-2-cyano-3-(12-methyl-12<i>H</i>-benzo[<i>b</i>]phenothiazin-11-yl)acrylic acid","Acta Crystallographica Section E","2014","70","9","o1026","o1027","10.1107/S1600536814018388","","","0.71075","MoKα","","0.037","0.0357","","","0.0988","0.1","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239918","7.39","0.005","8.919","0.004","14.955","0.009","74.61","0.04","76.71","0.05","71.03","0.04","887.5","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","(3,5-Dibromo-2-hydroxyphenyl){1-[(naphthalen-1-yl)carbonyl]-1<i>H</i>-pyrazol-4-yl}methanone","","- C21 H12 Br2 N2 O3 -","- C21 H12 Br2 N2 O3 -","- C42 H24 Br4 N4 O6 -","2","1","","Ishikawa, Yoshinobu; Motohashi, Yuya","Crystal structure of (3,5-dibromo-2-hydroxyphenyl){1-[(naphthalen-1-yl)carbonyl]-1<i>H</i>-pyrazol-4-yl}methanone","Acta Crystallographica Section E","2014","70","9","o1033","","10.1107/S1600536814018601","","","0.71069","MoKα","","","0.0644","","","","0.2041","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239919","9.7912","0.0007","14.7873","0.001","16.3592","0.0011","103.837","0.007","99.173","0.007","99.772","0.007","2216.4","0.3","223","","223","","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-<i>N</i>-phenylacetamidato)-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[(2-methylbenzonitrile-κ<i>N</i>)rhodium(II)](<i>Rh</i>—<i>Rh</i>)","","- C48 H46 N6 O4 Rh2 -","- C48 H46 N6 O4 Rh2 -","- C96 H92 N12 O8 Rh4 -","2","1","","Eagle, Cassandra T.; Atem-Tambe, Nkongho; Kpogo, Kenneth K.; Tan, Jennie; Cook, Kevin M.","Crystal structure of tetrakis(μ-<i>N</i>-phenylacetamidato)-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[(2-methylbenzonitrile-κ<i>N</i>)rhodium(II)](<i>Rh</i>—<i>Rh</i>)","Acta Crystallographica Section E","2014","70","9","m333","m334","10.1107/S1600536814017930","","","0.71075","MoKα","","","0.0368","","","","0.0789","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239920","7.2161","0.0001","10.5267","0.0002","11.3442","0.0002","111.54","0.001","90.882","0.001","108.76","0.001","750.2","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-iodo-2-methyl-3-[(4-methylphenyl)sulfonyl]-1-benzofuran","","- C16 H13 I O3 S -","- C16 H13 I O3 S -","- C32 H26 I2 O6 S2 -","2","1","HB7273","Choi, Hong Dae; Lee, Uk","Crystal structure of 5-iodo-2-methyl-3-[(4-methylphenyl)sulfonyl]-1-benzofuran","Acta Crystallographica Section E","2014","70","9","o1028","","10.1107/S1600536814018510","","","0.71073","MoKα","","0.0252","0.0233","","","0.0583","0.0594","","","","","","1.093","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239921","8.1736","0.0012","22.504","0.004","19.279","0.003","90","","90","","90","","3546.2","1","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>N</i>-(1-Allyl-3-chloro-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide","","- C17 H16 Cl N3 O2 S -","- C17 H16 Cl N3 O2 S -","- C136 H128 Cl8 N24 O16 S8 -","8","1","TK5336","Chicha, Hakima; Rakib, El Mostapha; Chigr, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of <i>N</i>-(1-allyl-3-chloro-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","9","o1041","o1042","10.1107/S1600536814018194","","","0.71073","MoKα","","0.0786","0.043","","","0.1045","0.123","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239922","18.537","0.006","5.1997","0.0017","19.059","0.007","90","","90","","90","","1837","1.1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4-Allylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","","- C8 H8 N4 S -","- C8 H8 N4 S -","- C64 H64 N32 S8 -","8","1","IS5372","El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 4-allylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","Acta Crystallographica Section E","2014","70","9","o1038","","10.1107/S1600536814018042","","","0.71073","MoKα","","0.1212","0.056","","","0.1458","0.1805","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2239923","23.5359","0.0016","10.2522","0.0005","10.3605","0.0011","90","","97.257","0.014","90","","2479.9","0.3","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,7-Diethoxy-1,8-bis(4-nitrobenzoyl)naphthalene","","- C28 H22 N2 O8 -","- C28 H22 N2 O8 -","- C112 H88 N8 O32 -","4","0.5","IS5370","Mohri, Saki; Ohisa, Shinji; Noguchi, Keiichi; Yonezawa, Noriyuki; Okamoto, Akiko","Crystal structure of 2,7-diethoxy-1,8-bis(4-nitrobenzoyl)naphthalene","Acta Crystallographica Section E","2014","70","9","138","141","10.1107/S1600536814018674","","","1.54187","CuKα","","0.0384","0.0365","","","0.0994","0.1008","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239924","14.1148","0.0009","14.7489","0.0009","15.5929","0.001","90","","92.804","0.004","90","","3242.2","0.4","147","2","147","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-3-(2,4-Dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C168 H144 O32 -","8","1","","Koh, Dongsoo","Crystal structure of (<i>E</i>)-3-(2,4-dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","9","o1034","o1035","10.1107/S1600536814018704","","","1.54178","CuKα","","0.0394","0.0363","","","0.0929","0.0954","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239925","15.894","0.003","10.9654","0.0017","15.0212","0.0016","90","","91.746","0.012","90","","2616.7","0.7","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetato-κ<i>O</i>)bis(pyridine-2-carboxamide oxime-κ^2^<i>N</i>,<i>N</i>')cadmium ethanol disolvate","","- C20 H32 Cd N6 O8 -","- C20 H32 Cd N6 O8 -","- C80 H128 Cd4 N24 O32 -","4","0.5","BG2533","Liu, Jiyong","Crystal structure of bis(acetato-κ<i>O</i>)bis(pyridine-2-carboxamide oxime-κ^2^<i>N</i>,<i>N</i>')cadmium ethanol disolvate","Acta Crystallographica Section E","2014","70","9","142","144","10.1107/S1600536814017978","","","0.71073","MoKα","","0.0602","0.0469","","","0.1125","0.1251","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239926","12.234","0.004","12.02","0.004","6.809","0.003","90","","90","","90","","1001.3","0.6","10","2","10","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","magnesium selenate heptahydrate","Hexaaquamagnesium(II) selenate monohydrate","","- H14 Mg O11 Se -","- H14 Mg O11 Se -","- H56 Mg4 O44 Se4 -","4","1","","Fortes, A. Dominic; Gutmann, Matthias J.","Crystal structure of magnesium selenate heptahydrate, MgSeO~4~·7H~2~O, from neutron time-of-flight data","Acta Crystallographica Section E","2014","70","9","134","137","10.1107/S1600536814018698","","","","neutron","","0.0723","0.0723","","","0.1969","0.1969","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239927","8.877","0.003","9.914","0.003","10.294","0.003","90","","110.565","0.005","90","","848.2","0.5","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>Z</i>)-2,3-Dichloro-1,4-bis(4-methoxyphenyl)but-2-ene-1,4-dione","","- C18 H14 Cl2 O4 -","- C18 H14 Cl2 O4 -","- C36 H28 Cl4 O8 -","2","1","FY2117","Tittal, Ram K.; Kumar, Satish; Ram, R. N.","Crystal structure of (<i>Z</i>)-2,3-dichloro-1,4-bis(4-methoxyphenyl)but-2-ene-1,4-dione","Acta Crystallographica Section E","2014","70","9","o1049","o1050","10.1107/S1600536814018790","","","0.71073","MoKα","","0.0598","0.0565","","","0.1322","0.1343","","","","","","1.173","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239928","7.176","0.003","9.9359","0.0018","10.716","0.002","117.528","0.005","104.792","0.007","91.701","0.007","645.3","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","2-Amino-4-methylpyridin-1-ium (2<i>R</i>,3<i>R</i>)-3-carboxy-2,3-dihydroxypropanoate monohydrate","","- C10 H16 N2 O7 -","- C10 H16 N2 O7 -","- C20 H32 N4 O14 -","2","2","","Jovita, J. V.; Sathya, S.; Usha, G.; Vasanthi, R.; Ramanand, A.","Crystal structure of 2-amino-4-methylpyridin-1-ium (2<i>R</i>,3<i>R</i>)-3-carboxy-2,3-dihydroxypropanoate monohydrate","Acta Crystallographica Section E","2014","70","9","o1036","o1037","10.1107/S160053681401842X","","","0.71073","MoKα","","0.0327","0.0309","","","0.0869","0.0884","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239929","12.2857","0.0012","15.3082","0.0016","18.5241","0.0018","90","","90","","90","","3483.9","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-[(4-Chloro-2<i>H</i>-chromen-3-yl)methylidene]-<i>N</i>-cyclohexylhydrazine carbothioamide","","- C17 H20 Cl N3 O S -","- C17 H20 Cl N3 O S -","- C136 H160 Cl8 N24 O8 S8 -","8","1","SU2769","Gangadharan, Rajeswari; Haribabu, Jebiti; Karvembu, Ramasamy; Sethusankar, K.","Crystal structure of (<i>E</i>)-2-[(4-chloro-2<i>H</i>-chromen-3-yl)methylidene]-<i>N</i>-cyclohexylhydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","9","o1039","o1040","10.1107/S1600536814018509","","","0.71073","MoKα","","0.0836","0.0496","","","0.1297","0.1523","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239930","12.8459","0.0006","7.6983","0.0004","19.4283","0.0008","90","","122.254","0.002","90","","1624.82","0.14","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>E</i>)-3-(2,4-Dinitrophenoxymethyl)-4-phenylbut-3-en-2-one","","- C17 H14 N2 O6 -","- C17 H14 N2 O6 -","- C68 H56 N8 O24 -","4","1","HG5406","Caracelli, Ignez; Maganhi, Stella H.; Moran, Paulo J. S.; de Paula, Bruno R. S.; Delling, Felix N.; Tiekink, Edward R. T.","Crystal structure of (3<i>E</i>)-3-(2,4-dinitrophenoxymethyl)-4-phenylbut-3-en-2-one","Acta Crystallographica Section E","2014","70","9","o1051","o1052","10.1107/S1600536814018819","","","0.71073","MoKα","","0.0412","0.0367","","","0.0971","0.101","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239931","12.5828","0.0003","12.3847","0.0003","8.4807","0.0002","90","","102.563","0.0011","90","","1289.94","0.05","90","0.2","90","","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Methoxy-2,2,2-tris(pyrazol-1-yl)ethane","","- C12 H14 N6 O -","- C12 H14 N6 O -","- C48 H56 N24 O4 -","4","1","SU2774","Lyubartseva, Ganna; Parkin, Sean; Coleman, Morgan D.; Mallik, Uma Prasad","Crystal structure of 1-methoxy-2,2,2-tris(pyrazol-1-yl)ethane","Acta Crystallographica Section E","2014","70","9","o1047","o1048","10.1107/S1600536814018789","","","0.71073","MoKα","","0.0581","0.0419","","","0.0932","0.1024","","","","","","1.103","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239932","11.389","0.005","12.66","0.005","21.667","0.005","90","","90","","90","","3124","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Methyl-2,6-bis(4-methyl-1,3-thiazol-5-yl)piperidin-4-one","","- C14 H17 N3 O S2 -","- C14 H17 N3 O S2 -","- C112 H136 N24 O8 S16 -","8","1","SU2768","Manimaran, A.; Sethusankar, K.; Ganesan, S.; Ananthan, S.","Crystal structure of 3-methyl-2,6-bis(4-methyl-1,3-thiazol-5-yl)piperidin-4-one","Acta Crystallographica Section E","2014","70","9","o1055","","10.1107/S1600536814018856","","","0.71073","MoKα","","0.0773","0.0476","","","0.128","0.1502","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239933","19.751","0.006","7.087","0.002","28.492","0.009","90","","102.997","0.004","90","","3886","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-[2,4-Bis(4-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazinecarboxylate","","- C22 H23 F2 N3 O2 -","- C22 H23 F2 N3 O2 -","- C176 H184 F16 N24 O16 -","8","1","SU2773","Kamaraj, A.; Rajkumar, R.; Krishnasamy, K.; Murugavel, S.","Crystal structure of methyl 2-[2,4-bis(4-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazinecarboxylate","Acta Crystallographica Section E","2014","70","9","145","147","10.1107/S1600536814018935","","","0.71073","MoKα","","0.0655","0.0495","","","0.1344","0.1472","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239934","5.8612","0.0001","11.6832","0.0002","12.6432","0.0002","65.292","0.001","85.902","0.001","83.229","0.001","780.79","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran","","- C17 H21 Cl O2 S -","- C17 H21 Cl O2 S -","- C34 H42 Cl2 O4 S2 -","2","1","HB7277","Choi, Hong Dae; Lee, Uk","Crystal structure of 5-chloro-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","9","o1067","o1068","10.1107/S1600536814019217","","","0.71073","MoKα","","0.0429","0.0385","","","0.0993","0.1024","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239935","9.1523","0.0002","9.5503","0.0002","10.3099","0.0002","65.666","0.001","81.636","0.001","70.782","0.001","775.29","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-ethyl-3-(4-fluorophenylsulfinyl)-5,7-dimethyl- 1-benzofuran","","- C18 H17 F O2 S -","- C18 H17 F O1.997 S0.997 -","- C36 H34 F2 O3.994 S1.994 -","2","1","HB7276","Choi, Hong Dae; Lee, Uk","Crystal structure of 2-ethyl-3-(4-fluorophenylsulfinyl)-5,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","9","o1058","o1059","10.1107/S1600536814019023","","","0.71073","MoKα","","0.0682","0.0626","","","0.1651","0.17","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239936","9.8769","0.0002","11.319","0.0002","13.132","0.0002","90","","101.951","0.001","90","","1436.29","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Dimethyl-3-(3-methylphenylsulfonyl)-1-benzofuran","","- C17 H16 O3 S -","- C17 H16 O3 S -","- C68 H64 O12 S4 -","4","1","FY2118","Choi, Hong Dae; Lee, Uk","Crystal structure of 2,5-dimethyl-3-(3-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","9","o1073","o1074","10.1107/S1600536814019369","","","0.71073","MoKα","","0.0571","0.0451","","","0.1198","0.1283","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239937","9.825","0.002","9.974","0.003","10.697","0.002","70.01","0.02","67.89","0.02","59.77","0.01","823.8","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(propane-1,3-diammonium) hexafluoridoaluminate fluoride trihydrate","","- C6 H30 Al F7 N4 O3 -","- C6 H30 Al F7 N4 O3 -","- C12 H60 Al2 F14 N8 O6 -","2","1","CQ2011","Abdi, I.; Al-Sadhan, K. A.; Ben Ali, A.","Crystal structure of bis(propane-1,3-diammonium) hexafluoridoaluminate fluoride trihydrate","Acta Crystallographica Section E","2014","70","9","m335","m336","10.1107/S1600536814018844","","","0.71073","MoKα","","0.0653","0.0591","","","0.1736","0.1834","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239938","8.2271","0.001","19.957","0.002","12.0474","0.0017","90","","96.374","0.011","90","","1965.8","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichlorido(4,10-dimethyl-1,4,7,10-tetraazabicyclo[5.5.2]tetradecane)chromium(III) hexafluoridophosphate","","- C12 H26 Cl2 Cr F6 N4 P -","- C12 H26 Cl2 Cr F6 N4 P -","- C48 H104 Cl8 Cr4 F24 N16 P4 -","4","1","WM5051","Prior, Timothy J.; Maples, Danny L.; Maples, Randall D.; Hoffert, Wesley A.; Parsell, Trenton H.; Silversides, Jon D.; Archibald, Stephen J.; Hubin, Timothy J.","Crystal structures of two cross-bridged chromium(III) tetraazamacrocycles","Acta Crystallographica Section E","2014","70","9","148","152","10.1107/S1600536814019072","","","0.71073","MoKα","","0.0788","0.0405","","","0.0864","0.0963","","","","","","0.879","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239939","13.6801","0.0019","12.437","0.002","12.3864","0.0017","90","","102.028","0.011","90","","2061.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichlorido(4,11-dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane)chromium(III) hexafluorophosphate","","- C14 H30 Cl2 Cr F6 N4 P -","- C14 H30 Cl2 Cr F6 N4 P -","- C56 H120 Cl8 Cr4 F24 N16 P4 -","4","1","","Prior, Timothy J.; Maples, Danny L.; Maples, Randall D.; Hoffert, Wesley A.; Parsell, Trenton H.; Silversides, Jon D.; Archibald, Stephen J.; Hubin, Timothy J.","Crystal structures of two cross-bridged chromium(III) tetraazamacrocycles","Acta Crystallographica Section E","2014","70","9","148","152","10.1107/S1600536814019072","","","0.71073","MoKα","","0.1019","0.0452","","","0.0954","0.1094","","","","","","0.784","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239940","9.401","0.006","10.061","0.006","11.963","0.007","101.328","0.01","94.183","0.01","104.549","0.009","1064.9","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Diethyl [(4-nitrophenylamino)(2-hydroxyphenyl)methyl]phosphonate methanol monosolvate","","- C18 H25 N2 O7 P -","- C18 H25 N2 O7 P -","- C36 H50 N4 O14 P2 -","2","1","","Wang, QingMing; Su, Feng; Yang, TingTing; Lu, LiPing; Zhu, MiaoLi","Crystal structure of diethyl [(4-nitrophenylamino)(2-hydroxyphenyl)methyl]phosphonate methanol monosolvate","Acta Crystallographica Section E","2014","70","9","o1053","o1054","10.1107/S1600536814018649","","","0.71073","MoKα","","0.1141","0.0542","","","0.1131","0.1381","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239941","6.0785","0.0003","10.319","0.0006","14.436","0.0008","91.57","0.003","91.946","0.002","99.055","0.003","893.19","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","3,5-Bis(4-Chlorophenyl)-1-propyl-1,3,5-triazacyclohexane","3,5-Bis(4-chlorophenyl)-1-propyl-1,3,5-triazacyclohexane","","- C18 H21 Cl2 N3 -","- C18 H21 Cl2 N3 -","- C36 H42 Cl4 N6 -","2","1","LH5723","Lefrada, Leila; Bouchemma, Ahcene; Bouacida, Sofiane; Claiser, Nicolas; Souhassou, Mohamed","Crystal structure of 3,5-bis(4-chlorophenyl)-1-propyl-1,3,5-triazacyclohexane","Acta Crystallographica Section E","2014","70","9","o1061","o1062","10.1107/S1600536814019060","","","0.71073","MoKα","","0.0613","0.0492","","","0.1317","0.1418","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239942","7.3634","0.0007","31.908","0.003","8.1372","0.0008","90","","107.598","0.001","90","","1822.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Ethoxy-<i>N</i>-(4-ethoxyphenyl)-<i>N</i>-phenylaniline","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Wu, Liang-Tao; Kong, Ming; Wu, Jie-Ying","Crystal structure of 4-ethoxy-<i>N</i>-(4-ethoxyphenyl)-<i>N</i>-phenylaniline","Acta Crystallographica Section E","2014","70","9","o1077","","10.1107/S160053681401900X","","","0.71073","MoKα","","0.067","0.0417","","","0.0966","0.1059","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239943","10.694","0.0002","11.8612","0.0004","12.1088","0.0003","90.52","0.001","101.181","0.002","102.259","0.002","1470.39","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis{<i>N</i>-[2-(dimethylamino)ethyl]quinolin-8-amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}nickel(II) dichloride 3.5-hydrate","","- C26 H41 Cl2 N6 Ni O3.5 -","- C26 H41 Cl2 N6 Ni O3.5 -","- C52 H82 Cl4 N12 Ni2 O7 -","2","1","","Kariuki, Benson M.; Al-Sudani, Abdul-Razak H.","Crystal structure of bis{<i>N</i>-[2-(dimethylamino)ethyl]quinolin-8-amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}nickel(II) dichloride 3.5-hydrate","Acta Crystallographica Section E","2014","70","9","m339","m340","10.1107/S1600536814019035","","","0.71073","MoKα","","0.0515","0.0387","","","0.0838","0.0904","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239944","8.7167","0.0003","9.8521","0.0003","15.4938","0.0004","90","","95.149","0.002","90","","1325.2","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Acetylphenyl 3-methylbenzoate","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","BT6992","Mani, Karthik Ananth; Viswanathan, Vijayan; Narasimhan, S.; Velmurugan, Devadasan","Crystal structure of 4-acetylphenyl 3-methylbenzoate","Acta Crystallographica Section E","2014","70","9","o1060","","10.1107/S1600536814018923","","","0.71073","MoKα","","0.078","0.0481","","","0.1343","0.162","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239945","13.3135","0.0009","9.9581","0.0006","20.0278","0.0014","90","","90","","90","","2655.2","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-Benzylidene-2-methoxybenzohydrazide","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C120 H112 N16 O16 -","8","1","BG2535","Taha, Muhammad; Baharudin, M. Syukri; Zaki, Hamizah Mohd; Yamin, Bohari M.; Naz, Humera","Crystal structure of (<i>E</i>)-<i>N</i>'-benzylidene-2-methoxybenzohydrazide","Acta Crystallographica Section E","2014","70","9","o1071","o1072","10.1107/S1600536814019011","","","0.71073","MoKα","","0.0593","0.0379","","","0.0866","0.1034","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239946","7.9776","0.0007","9.5412","0.0009","13.0541","0.0014","83.099","0.008","83.227","0.008","84.608","0.007","976.33","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(2,2-Dimethylpropanamido)pyridin-3-yl <i>N</i>,<i>N</i>-diisopropyldithiocarbamate","","- C17 H27 N3 O S2 -","- C17 H27 N3 O S2 -","- C34 H54 N6 O2 S4 -","2","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Baashen, Mohammed; Kariuki, Benson M.","Crystal structure of 4-(2,2-dimethylpropanamido)pyridin-3-yl <i>N</i>,<i>N</i>-diisopropyldithiocarbamate","Acta Crystallographica Section E","2014","70","9","o1069","o1070","10.1107/S1600536814019321","","","1.54184","CuKα","","0.0659","0.0614","","","0.2067","0.2108","","","","","","1.159","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239947","11.101","0.003","10.457","0.003","17.326","0.005","90","","104.473","0.004","90","","1947.4","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[Bis(4-Ethoxyphenyl)amino]thiophene-2-carbaldehyde","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C84 H84 N4 O12 S4 -","4","1","","Tan, Jing-Yun; Kong, Ming; Wu, Jie-Ying","Crystal structure of 5-[bis(4-ethoxyphenyl)amino]thiophene-2-carbaldehyde","Acta Crystallographica Section E","2014","70","9","o1075","o1076","10.1107/S1600536814018984","","","0.71073","MoKα","","0.0548","0.0376","","","0.1218","0.1338","","","","","","0.931","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239948","10.494","0.003","11.464","0.002","17.425","0.003","80.265","0.015","86.064","0.017","89.877","0.018","2061.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Cyclopropanecarbonyl-3-methyl-2,6-di-<i>p</i>-tolylpiperidin-4-one","","- C24 H27 N O2 -","- C24 H27 N O2 -","- C96 H108 N4 O8 -","4","2","SU2765","Kamaraj, A.; Ranjith, S.; Rajkumar, R.; Mohanraj, G.; Krishnasamy, K.","Crystal structure of 1-cyclopropanecarbonyl-3-methyl-2,6-di-<i>p</i>-tolylpiperidin-4-one","Acta Crystallographica Section E","2014","70","9","o1056","o1057","10.1107/S1600536814018546","","","0.71073","MoKα","","0.1056","0.0544","","","0.1234","0.1561","","","","","","0.946","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239949","8.4338","0.0003","9.9171","0.0003","10.1059","0.0003","73.988","0.002","66.155","0.002","73.629","0.002","729.02","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Chloro-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran","","- C16 H12 Cl F O3 S -","- C16 H12 Cl F O3 S -","- C32 H24 Cl2 F2 O6 S2 -","2","1","MW2126","Choi, Hong Dae; Lee, Uk","5-Chloro-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","9","o1065","o1066","10.1107/S1600536814019114","","","0.71073","MoKα","","0.0424","0.0374","","","0.0948","0.0979","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239950","13.5157","0.0006","7.8454","0.0003","12.2147","0.0005","90","","106.884","0.005","90","","1239.37","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[4-(Pyrimidin-2-yl)piperazin-1-ium-1-yl]butanoate","","- C12 H18 N4 O2 -","- C12 H18 N4 O2 -","- C48 H72 N16 O8 -","4","1","BT6993","Yamuna, Thammarse S.; Jasinski, Jerry P.; Kaur, Manpreet; Anderson, Brian J.; Yathirajan, H.S.","Crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butanoate","Acta Crystallographica Section E","2014","70","9","o1063","o1064","10.1107/S1600536814018972","","","1.54184","CuKα","","0.057","0.0534","","","0.1456","0.1487","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239951","5.154","0.003","11.124","0.007","17.256","0.011","79.096","0.01","87.126","0.01","85.03","0.012","967.2","1","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","4,4'-(Disulfanediyl)dibutanoic acid‒4,4'-bipyridine (1/1)","","- C18 H22 N2 O4 S2 -","- C18 H22 N2 O4 S2 -","- C36 H44 N4 O8 S4 -","2","1","WM5041","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Crystal structure of 4,4'-(disulfanediyl)dibutanoic acid‒4,4'-bipyridine (1/1)","Acta Crystallographica Section E","2014","70","9","157","160","10.1107/S1600536814018558","","","0.71073","MoKα","","0.0903","0.0482","","","0.1104","0.1314","","","","","","0.905","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239952","15.78","0.004","15.427","0.004","21.649","0.006","90","","102.262","0.005","90","","5150","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(1,3-Dimethylthiourea-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I) acetate","","- C59 H56 Ag N2 O2 P3 S -","- C59 H56 Ag N2 O2 P3 S -","- C236 H224 Ag4 N8 O8 P12 S4 -","4","1","","Wattanakanjana, Yupa; Nimthong, Arunpatcha; Darasuriyong, Chanokphat","Crystal structure of (1,3-dimethylthiourea-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I) acetate","Acta Crystallographica Section E","2014","70","9","m337","m338","10.1107/S1600536814019047","","","0.71073","MoKα","","0.0991","0.0529","","","0.0905","0.1055","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239953","18.0861","0.0008","4.169","0.0002","12.3694","0.0006","90","","104.003","0.005","90","","904.95","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Amino-1-benzyl-1,2,4-triazolin-5-one","","- C9 H10 N4 O -","- C9 H10 N4 O -","- C36 H40 N16 O4 -","4","1","FJ2680","Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig","Crystal structure of 4-amino-1-benzyl-1,2,4-triazolin-5-one","Acta Crystallographica Section E","2014","70","10","o1083","o1084","10.1107/S160053681401931X","","","1.5418","CuKα","","0.0381","0.0338","","","0.0879","0.092","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239954","8.965","0.005","19.613","0.005","11.456","0.005","90","0.005","96.989","0.005","90","0.005","1999.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-hloro-<i>N</i>-{[1-(4-chlorobenzoyl)piperidin-4-yl]methyl}benzamide","","- C20 H22 Cl2 N2 O3 -","- C20 H22 Cl2 N2 O3 -","- C80 H88 Cl8 N8 O12 -","4","1","","Prathebha, K.; Reuben Jonathan, D.; Sathya, S.; Jovita, J.; Usha, G.","Crystal structure of 4-chloro-<i>N</i>-{[1-(4-chlorobenzoyl)piperidin-4-yl]methyl}benzamide monohydrate","Acta Crystallographica Section E","2014","70","10","o1080","","10.1107/S1600536814018522","","","0.71073","MoKα","","0.0844","0.0433","","","0.1017","0.1195","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239955","10.55","0.002","11.308","0.002","12.874","0.003","93.21","0.004","104.225","0.004","113.323","0.004","1346.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis{μ-4,4'-[1,3-phenylenebis(oxy)]dibenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''}bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)] dihydrate","","- C64 H44 N4 O14 Zn2 -","- C64 H44 N4 O14 Zn2 -","- C64 H44 N4 O14 Zn2 -","1","0.5","XU5810","Li, Ya-Ping; Han, Li-Ying; Ming, Julia; Zang, Hu; Su, Guan-Fang","Crystal structure of bis{μ-4,4'-[1,3-phenylenebis(oxy)]dibenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''}bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)] dihydrate","Acta Crystallographica Section E","2014","70","10","m341","m342","10.1107/S1600536814018340","","","0.71073","MoKα","","0.1045","0.0449","","","0.0918","0.1116","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239956","19.5872","0.0012","6.5263","0.0004","14.7598","0.0009","90","","120.846","0.002","90","","1619.89","0.17","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3<i>R</i>)-3-Benzyl-4-[(<i>tert</i>-butoxycarbonyl)amino]butanoic acid","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C64 H92 N4 O16 -","4","1","","Jedrzejczak, Karol; Szczesio, Małgorzata; Oracz, Monika; Jankowski, Stefan; Główka, Marek L.","Crystal structure of (3<i>R</i>)-3-benzyl-4-[(<i>tert</i>-butoxycarbonyl)amino]butanoic acid","Acta Crystallographica Section E","2014","70","10","o1081","o1082","10.1107/S1600536814019497","","","1.54178","CuKα","","0.0299","0.029","","","0.0727","0.0733","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239957","21.7503","0.0003","10.6444","0.0002","16.4061","0.0003","90","","126.622","0.001","90","","3048.49","0.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5-Chloro-3-(4-fluorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","","- C17 H14 Cl F O2 S -","- C17 H14 Cl F O2 S -","- C136 H112 Cl8 F8 O16 S8 -","8","1","XU5819","Choi, Hong Dae; Lee, Uk","Crystal structure of 5-chloro-3-(4-fluorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","10","o1078","o1079","10.1107/S1600536814019229","","","0.71073","MoKα","","0.0471","0.0373","","","0.0908","0.0963","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239958","7.3551","0.0006","7.6579","0.0005","20.7878","0.0014","91.266","0.006","94.341","0.006","94.25","0.006","1163.84","0.15","200","1","200","1","","","","","","","","5","P -1","-P 1","2","magnesium bis[(2,4-dichlorophenoxy)acetate] 0.5hydrate","Pentaaqua[(2,4-dichlorophenoxy)acetato-κ<i>O</i>]magnesium (2,4-dichlorophenoxy)acetate hemihydrate","","- C16 H21 Cl4 Mg O11.5 -","- C16 H21 Cl4 Mg O11.5 -","- C32 H42 Cl8 Mg2 O23 -","2","1","WM5045","Smith, Graham","Crystal structure of the magnesium salt of the herbicide 2,4-D: pentaaqua[(2,4-dichlorophenoxy)acetato-κ<i>O</i>]magnesium (2,4-dichlorophenoxy)acetate hemihydrate","Acta Crystallographica Section E","2014","70","10","161","163","10.1107/S1600536814019357","","","0.71073","MoKα","","0.0712","0.0495","","","0.0951","0.1071","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239959","13.03","0.003","10.985","0.002","19.925","0.004","90","","93.25","0.03","90","","2847.4","1","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis{μ-2-[(dimethylamino)methyl]ferroceneselenolato}bis[chloridopalladium(II)]","","- C26 H32 Cl2 Fe2 N2 Pd2 Se2 -","- C26 H32 Cl2 Fe2 N2 Pd2 Se2 -","- C104 H128 Cl8 Fe8 N8 Pd8 Se8 -","4","1","ZL2600","Takaluoma, Esther M.; Oilunkaniemi, Raija; Laitinen, Risto S.","Crystal structure of bis{μ-2-[(dimethylamino)methyl]ferroceneselenolato}bis[chloridopalladium(II)]","Acta Crystallographica Section E","2014","70","10","m343","m344","10.1107/S1600536814019503","","","0.71073","MoKα","","0.0562","0.0391","","","0.0808","0.0883","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239960","11.217","0.004","11.668","0.004","12.11","0.004","79.22","0.01","64.62","0.01","68.63","0.009","1332.6","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(3-Oxo-2,3,4,4a,5,6-hexahydrobenzo[<i>h</i>]cinnolin-2-yl)propionic acid","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","2","HB7233","Meneghetti, Fiorella; Masciocchi, Daniela; Gelain, Arianna; Villa, Stefania","Crystal structure of 3-(3-oxo-2,3,4,4a,5,6-hexahydrobenzo[<i>h</i>]cinnolin-2-yl)propionic acid","Acta Crystallographica Section E","2014","70","10","o1088","o1089","10.1107/S1600536814019850","","","0.71073","MoKα","","0.2852","0.059","","","0.1375","0.2047","","","","","","0.924","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239961","9.704","0.003","9.72","0.003","10.804","0.004","90","","101.637","0.007","90","","998.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-1-(6-fluoro-3,4-dihydro-2<i>H</i>-chromen-2-yl)ethanone","","- C11 H10 Cl F O2 -","- C11 H10 Cl F O2 -","- C44 H40 Cl4 F4 O8 -","4","1","","Shen, Zheng; Mao, Qiu-Xia; Ge, Ji-Long; Tu, Yong-Rui; Wang, Yan","Crystal structure of 2-chloro-1-(6-fluoro-3,4-dihydro-2<i>H</i>-chromen-2-yl)ethanone","Acta Crystallographica Section E","2014","70","10","o1087","","10.1107/S1600536814019746","","","0.71073","MoKα","","0.0675","0.0577","","","0.1626","0.1689","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239962","6.1363","0.0004","8.2574","0.0003","15.3303","0.0009","86.659","0.003","78.751","0.002","73.893","0.003","731.95","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Tetralon-thiosemicarbazon/0.5 Tetracyanopyrazin","2-(1,2,3,4-Tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide‒\ pyrazine-2,3,5,6-tetracarbonitrile (2/1)","","- C30 H26 N12 S2 -","- C30 H26 N12 S2 -","- C30 H26 N12 S2 -","1","0.5","","Beck, Johannes; Daniels, Jörg; Krieger-Beck, Petra; Dittmann, Gertrud; de Oliveira, Adriano Bof","Crystal structure of the charge-transfer complex 2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide‒pyrazine-2,3,5,6-tetracarbonitrile (2/1)","Acta Crystallographica Section E","2014","70","10","o1090","o1091","10.1107/S1600536814019795","","","0.71073","MoKα","","0.0859","0.0454","","","0.0816","0.0958","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239963","20.1817","0.0004","12.4559","0.0003","28.6781","0.0006","90","","94.213","0.002","90","","7189.7","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Azido(η^5^-cyclopentadienyl)bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) dichloromethane hemisolvate","","- C41.5 H36 Cl N3 P2 Ru -","- C41.5 H36 Cl N3 P2 Ru -","- C332 H288 Cl8 N24 P16 Ru8 -","8","1","","Hernández-Calva, Adriana; Meléndez-Balbuena, Lidia; Arroyo, Maribel; Ramírez-Monroy, Armando","Crystal structure of azido(η^5^-cyclopentadienyl)bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) dichloromethane hemisolvate","Acta Crystallographica Section E","2014","70","10","m345","m346","10.1107/S1600536814019187","","","0.71073","MoKα","","0.0365","0.0267","","","","0.0651","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2239964","12.7734","0.0002","16.4106","0.0003","12.9012","0.0002","90","","95.939","0.001","90","","2689.82","0.08","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,8-Dibenzoyl-2,7-diphenoxynaphthalene","","- C36 H24 O4 -","- C36 H24 O4 -","- C144 H96 O16 -","4","1","GK2618","Narushima, Satsuki; Mohri, Saki; Yonezawa, Noriyuki; Okamoto, Akiko","Crystal structure of 1,8-dibenzoyl-2,7-diphenoxynaphthalene","Acta Crystallographica Section E","2014","70","10","170","173","10.1107/S1600536814019758","","","1.54187","CuKα","","0.0363","0.034","","","0.0948","0.0969","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239965","8.4361","0.0006","13.2603","0.001","13.8664","0.001","110.061","0.007","103.559","0.006","101.43","0.006","1348.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-{[(pyridin-2-yl)methylidene]amino}benzoato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)cobalt(II) <i>N</i>,<i>N</i>-dimethylformamide sesquisolvate","","- C30.5 H28.5 Co N5.5 O5.5 -","- C30.5 H28.5 Co N5.5 O5.5 -","- C61 H57 Co2 N11 O11 -","2","1","WM5044","Buvaylo, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Crystal structure of bis(2-{[(pyridin-2-yl)methylidene]amino}benzoato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)cobalt(II) <i>N</i>,<i>N</i>-dimethylformamide sesquisolvate","Acta Crystallographica Section E","2014","70","10","164","166","10.1107/S1600536814019485","","","0.71073","MoKα","","0.0639","0.0481","","","0.1184","0.1265","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2239966","9.565","0.005","12.969","0.005","13.652","0.005","115.656","0.005","94.646","0.005","91.621","0.005","1517.7","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","[2-({4-[2,6-Bis(pyridin-2-yl)pyridin-4-yl]phenyl}(methyl)amino)ethanol-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']bis(thiocyanato-κ<i>N</i>)zinc <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C29 H29 N7 O2 S2 Zn -","- C29 H29 N7 O2 S2 Zn -","- C58 H58 N14 O4 S4 Zn2 -","2","1","","Wang, Shi-Chao; Pan, Rou-Chen; Song, Wan-Ying; Li, Sheng-Li","Crystal structure of [2-({4-[2,6-bis(pyridin-2-yl)pyridin-4-yl]phenyl}(methyl)amino)ethanol-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']bis(thiocyanato-κ<i>N</i>)zinc <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2014","70","10","m347","m348","10.1107/S1600536814019527","","","0.71069","MoKα","","0.0885","0.0598","","","0.1574","0.1742","","","","","","0.99","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239967","10.2319","0.0003","10.5228","0.0003","11.7767","0.0004","101.088","0.002","107.524","0.002","114.008","0.002","1029.87","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-4-(4-chlorophenyl)-2-imino-1,2,5,6,7,8,9,10-\ octahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","","- C25 H24 Cl N3 -","- C25 H24 Cl N3 -","- C50 H48 Cl2 N6 -","2","1","BH2503","Nagalakshmi, R. A.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structure of 1-benzyl-4-(4-chlorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","10","167","169","10.1107/S160053681401962X","","","0.71073","MoKα","","0.0521","0.0377","","","0.0943","0.1051","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239968","9.3347","0.0002","16.2442","0.0003","19.258","0.0004","90","","90","","90","","2920.18","0.1","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>E</i>)-13-{4-[(<i>Z</i>)-2-Cyano-2-(3,4,5-\ trimethoxyphenyl)ethenyl]phenyl}parthenolide methanol hemisolvate","(<i>Z</i>)-3-(4-{(<i>E</i>)-[(<i>E</i>)-1a,5-Dimethyl-9-oxo-2,3,7,7a-tetrahydrooxireno[2',3':9,10]cyclodeca[1,2-<i>b</i>]furan-8(1a<i>H</i>,6<i>H</i>,9<i>H</i>,10a<i>H</i>,10b<i>H</i>)-ylidene]methyl}phenyl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile methanol hemisolvate","","- C33.5 H37 N O6.5 -","- C33.5 H37 N O6.5 -","- C134 H148 N4 O26 -","4","1","SJ5404","Penthala, Narsimha Reddy; Bommagani, Shobanbabu; Janganati, Venumadhav; Parkin, Sean; Crooks, Peter A.","Crystal structure of (<i>E</i>)-13-{4-[(<i>Z</i>)-2-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl}parthenolide methanol hemisolvate","Acta Crystallographica Section E","2014","70","10","o1092","o1093","10.1107/S1600536814019333","","","1.54178","CuKα","","0.0244","0.0242","","","0.0652","0.0654","","","","","","1.033","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239969","7.0719","0.0005","16.3972","0.0008","31.88","0.002","90","","90","","90","","3696.8","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(Pyridin-2-ylmethylidene)(triphenylmethyl)amine","","- C25 H20 N2 -","- C25 H20 N2 -","- C200 H160 N16 -","8","2","TK5243","Theppitak, Chatphorn; Meesangkaew, Manlika; Chanthee, Songwuit; Sriprang, Nimit; Chainok, Kittipong","Crystal structure of (pyridin-2-ylmethylidene)(triphenylmethyl)amine","Acta Crystallographica Section E","2014","70","10","o1094","o1095","10.1107/S160053681401959X","","","1.54178","CuKα","","0.0827","0.0566","","0.133","","0.1532","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239970","13.0758","0.0005","10.5245","0.0004","27.1358","0.001","90","","110.353","0.002","90","","3501.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,10,15-Triphenyl-20-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin","","- C44 H37 B N4 O2 -","- C44 H37 B N4 O2 -","- C176 H148 B4 N16 O8 -","4","1","","Senge, Mathias O.; Eckhardt, Hans-Georg","Crystal structure of 5,10,15-triphenyl-20-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin","Acta Crystallographica Section E","2014","70","10","o1085","o1086","10.1107/S1600536814019680","","","1.54178","CuKα","","0.0422","0.0411","","","0.102","0.103","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239971","29.6316","0.0005","6.22328","0.0001","12.4258","0.0002","90","","109.68","0.0008","90","","2157.55","0.06","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis(benzimidazolium) [tetra-μ-iodido-stannate(II)]]","","- C14 H14 I4 N4 Sn -","- C14 H14 I4 N4 Sn -","- C56 H56 I16 N16 Sn4 -","4","0.5","WM5043","Zimmermann, Iwan; Keene, Tony D.; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia","Crystal structures of isotypic poly[bis(benzimidazolium) [tetra-μ-iodido-stannate(II)]] and poly[bis(5,6-difluorobenzimidazolium) [tetra-μ-iodido-stannate(II)]]","Acta Crystallographica Section E","2014","70","10","178","182","10.1107/S1600536814019151","","","0.71073","MoKα","","0.0283","0.0222","","","0.0431","0.0447","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239972","31.3825","0.0006","6.18011","0.00012","12.38507","0.00013","90","","109.324","0.0007","90","","2266.72","0.07","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[bis(5,6-difluorobenzimidazolium) [tetra-μ-iodido-stannate(II)]]","","- C14 H10 F4 I4 N4 Sn -","- C14 H10 F4 I4 N4 Sn -","- C56 H40 F16 I16 N16 Sn4 -","4","0.5","","Zimmermann, Iwan; Keene, Tony D.; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia","Crystal structures of isotypic poly[bis(benzimidazolium) [tetra-μ-iodido-stannate(II)]] and poly[bis(5,6-difluorobenzimidazolium) [tetra-μ-iodido-stannate(II)]]","Acta Crystallographica Section E","2014","70","10","178","182","10.1107/S1600536814019151","","","0.71073","MoKα","","0.039","0.0352","","","0.1198","0.1241","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239973","16.0462","0.0001","16.0462","0.0001","15.3337","0.0002","90","","90","","90","","3948.13","0.06","105","","105","","","","","","","","","5","I -4","I -4","82","","<i>cyclo</i>-Bis(μ~4~-2,2-diallylmalonato- κ^6^<i>O</i>^1^,<i>O</i>^3^:<i>O</i>^3^:<i>O</i>^1'^,<i>O</i>^3'^:<i>O</i>^1'^)tetrakis(triphenylphosphane-κ<i>P</i>)tetrasilver(I)","","- C90 H80 Ag4 O8 P4 -","- C90 H80 Ag4 O8 P4 -","- C180 H160 Ag8 O16 P8 -","2","0.25","WM5047","Frenzel, Peter; Jakob, Alexander; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich","Crystal structure of <i>cyclo</i>-bis(μ~4~-2,2-diallylmalonato-κ^6^<i>O</i>^1^,<i>O</i>^3^:<i>O</i>^3^:<i>O</i>^1'^,<i>O</i>^3'^:<i>O</i>^1'^)tetrakis(triphenylphosphane-κ<i>P</i>)tetrasilver(I)","Acta Crystallographica Section E","2014","70","10","174","177","10.1107/S1600536814019394","","","0.71073","MoKα","","0.0237","0.0223","","","0.0471","0.0478","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239974","9.3383","0.0004","12.338","0.0005","20.5893","0.0008","90","","90","","90","","2372.22","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2'-Benzyloxy-[1,1'-binaphthalen]-2-yl trifluoromethanesulfonate","","- C28 H19 F3 O4 S -","- C28 H19 F3 O4 S -","- C112 H76 F12 O16 S4 -","4","1","SU2775","Carrilho, Rui M. B.; Pereira, Mariette M.; Maria, Teresa M. R.; Eusébio, M. Ermelinda S.; Rodrigues, V. H.","Crystal structure of (<i>R</i>)-2'-benzyloxy-[1,1'-binaphthalen]-2-yl trifluoromethanesulfonate","Acta Crystallographica Section E","2014","70","10","o1096","o1097","10.1107/S1600536814019096","","","0.71073","MoKα","","0.0497","0.0368","","","0.0827","0.0881","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239975","14.6208","0.0006","11.3324","0.0007","22.641","0.0012","90","","90","","90","","3751.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,5'-[(4-Fluorophenyl)methylene]bis[6-amino-1,3-dimethylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione]","","- C19 H21 F N6 O4 -","- C19 H21 F N6 O4 -","- C152 H168 F8 N48 O32 -","8","1","","Sharma, Naresh; Brahmachari, Goutam; Banerjee, Bubun; Kant, Rajni; Gupta, Vivek K.","Crystal structure of 5,5'-[(4-fluorophenyl)methylene]bis[6-amino-1,3-dimethylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione]","Acta Crystallographica Section E","2014","70","10","o1098","o1099","10.1107/S1600536814019886","","","0.71073","MoKα","","0.0976","0.052","","","0.1057","0.1301","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239976","7.0717","0.0005","7.5974","0.0004","28.7175","0.0019","87.926","0.005","86.498","0.006","87.584","0.005","1537.77","0.17","200","1","200","1","","","","","","","","4","P -1","-P 1","2","3,5-dinitrobenzoic acid‒4-aminosalicylic acid hydrate","4-Amino-2-hydroxybenzoic acid‒3,5-dinitrobenzoic acid‒water (2/2/0.4)","","- C14 H11.4 N3 O9.2 -","- C14 H11.4 N3 O9.2 -","- C56 H45.6 N12 O36.8 -","4","2","SJ5421","Smith, Graham; Lynch, Daniel E.","Crystal structures and hydrogen bonding in the co-crystalline adducts of 3,5-dinitrobenzoic acid with 4-aminosalicylic acid and 2-hydroxy-3-(1<i>H</i>-indol-3-yl)propenoic acid","Acta Crystallographica Section E","2014","70","10","183","187","10.1107/S1600536814019898","","","0.71073","MoKα","","0.0854","0.0561","","","0.1303","0.1492","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239977","7.6488","0.0006","12.3552","0.001","13.3768","0.001","116.833","0.008","96.274","0.006","97.626","0.007","1097.4","0.18","200","1","200","1","","","","","","","","6","P -1","-P 1","2","3,5-dinitrobenzoic acid‒indole-3-lactic acid‒dimethyl sulfoxide","3,5-Dinitrobenzoic acid‒\ 2-hydroxy-3-(1<i>H</i>-indol-3-yl)propenoic acid‒\ <i>d</i>^6^-dimethyl sulfoxide (1/1/1)","","- C20 H13 D6 N3 O10 S -","- C20 H13 D6 N3 O10 S -","- C40 H26 D12 N6 O20 S2 -","2","1","SJ5421","Smith, Graham; Lynch, Daniel E.","Crystal structures and hydrogen bonding in the co-crystalline adducts of 3,5-dinitrobenzoic acid with 4-aminosalicylic acid and 2-hydroxy-3-(1<i>H</i>-indol-3-yl)propenoic acid","Acta Crystallographica Section E","2014","70","10","183","187","10.1107/S1600536814019898","","","0.71073","MoKα","","0.0525","0.0395","","","0.0898","0.097","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239978","15.6142","0.0003","5.6142","0.0001","17.2355","0.0003","90","","101.138","0.002","90","","1482.43","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[4-(Methylsulfanyl)quinazolin-2-yl]-1-phenylethanol","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C68 H64 N8 O4 S4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Ajarim, Mansour D.; Kariuki, Benson M.","Crystal structure of 2-[4-(methylsulfanyl)quinazolin-2-yl]-1-phenylethanol","Acta Crystallographica Section E","2014","70","10","o1101","","10.1107/S1600536814019990","","","1.54184","CuKα","","0.035","0.0322","","","0.0908","0.0939","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239979","19.2953","0.0008","9.9889","0.0003","9.6341","0.0004","90","","96.667","0.004","90","","1844.31","0.12","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4-Dibutyl-2-phenyl-3,4-dihydroquinazoline","","- C22 H28 N2 -","- C22 H28 N2 -","- C88 H112 N8 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.","Crystal structure of 4,4-dibutyl-2-phenyl-3,4-dihydroquinazoline","Acta Crystallographica Section E","2014","70","10","o1100","","10.1107/S1600536814020017","","","1.5418","CuKα","","0.061","0.0465","","","0.116","0.1289","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239980","9.6689","0.0009","11.1237","0.0011","11.1693","0.0011","94.42","0.001","110.067","0.001","99.919","0.001","1099.4","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-2-(2-{5-[(2-Acetoxyethyl)(methyl)amino]thiophen-2-yl}vinyl)-3-methylbenzothiazolium iodide monohydrate","","- C19 H23 I N2 O3 S2 -","- C19 H23 I N2 O3 S2 -","- C38 H46 I2 N4 O6 S4 -","2","1","","Sun, Xian-Shun; Wang, Ming-Ming; Li, Dan-Dan","Crystal structure of (<i>E</i>)-2-(2-{5-[(2-acetoxyethyl)(methyl)amino]thiophen-2-yl}vinyl)-3-methylbenzothiazolium iodide monohydrate","Acta Crystallographica Section E","2014","70","10","o1104","o1105","10.1107/S1600536814020121","","","0.71073","MoKα","","0.0354","0.0282","","","0.0673","0.0711","","","","","","0.974","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239981","7.9031","0.0003","5.9461","0.0002","8.9907","0.0003","90","","90.039","0.003","90","","422.5","0.03","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ~2~-sarcosinato-κ^3^<i>O</i>,<i>N</i>:<i>O</i>')copper(II)]","","- C6 H12 Cu N2 O4 -","- C6 H12 Cu N2 O4 -","- C12 H24 Cu2 N4 O8 -","2","0.5","WM5056","Butcher, Ray J.; Brewer, Greg; Zemba, Matthew","Crystal structure of anhydrous poly[bis(μ~2~-sarcosinato-κ^3^<i>O</i>,<i>N</i>:<i>O</i>')copper(II)]","Acta Crystallographica Section E","2014","70","10","207","209","10.1107/S1600536814020418","","","0.71073","MoKα","","0.0282","0.0229","","","0.0581","0.0614","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239982","13.6668","0.001","8.3356","0.0005","21.4683","0.0016","90","","90","","90","","2445.7","0.3","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Cyclohexyl-1-(propan-2-ylidene)thiosemicarbazide","","- C10 H19 N3 S -","- C10 H19 N3 S -","- C80 H152 N24 S8 -","8","1","TK5341","Yamin, Bohari M.; Rodis, Monica Lulo; Chee, Dayang N. B. A","Crystal structure of 4-cyclohexyl-1-(propan-2-ylidene)thiosemicarbazide","Acta Crystallographica Section E","2014","70","10","o1109","","10.1107/S160053681402025X","","","0.71073","MoKα","","0.091","0.0529","","","0.1169","0.1351","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239983","5.3975","0.001","10.0099","0.0019","18.311","0.003","90","","91.01","0.003","90","","989.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-{[(1<i>H</i>-1,2,4-Triazol-1-yl)methyl]sulfanyl}phenol","","- C9 H9 N3 O S -","- C9 H9 N3 O S -","- C36 H36 N12 O4 S4 -","4","1","DS2243","Zhang, Yong-Le; Zhang, Chuang; Guo, Wei; Wang, Jing","Crystal structure of 4-{[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]sulfanyl}phenol","Acta Crystallographica Section E","2014","70","10","o1106","","10.1107/S1600536814019965","","","0.71073","MoKα","","0.0411","0.0323","","","0.0715","0.0767","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239984","10.017","0.002","10.64","0.002","10.677","0.002","62.52","0.009","75.874","0.008","81.831","0.008","978.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","1-[4-(5-chloro-α,α,α-trifluoro-<i>p</i>-tolyloxy)-2-fluorophenyl]-3-(2,6-difluorobenzoyl)urea","","- C21 H11 Cl F6 N2 O3 -","- C21 H11 Cl F6 N2 O3 -","- C42 H22 Cl2 F12 N4 O6 -","2","1","SU2781","Jeon, Youngeun; Kang, Gihaeng; Lee, Sangjin; Kim, Tae Ho","Crystal structure of flufenoxuron: a benzoylurea pesticide","Acta Crystallographica Section E","2014","70","10","o1110","","10.1107/S1600536814020649","","","0.71073","MoKα","","0.0428","0.0378","","","0.1043","0.1076","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239985","9.3844","0.0005","17.8121","0.0008","14.4077","0.0007","90","","107.216","0.002","90","","2300.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-(3-Ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate","","- C27 H28 N2 O3 -","- C27 H28 N2 O3 -","- C108 H112 N8 O12 -","4","1","SU2763","Raghuvarman, B.; Sivakumar, R.; Thanikachalam, V.; Aravindhan, S.","Crystal structures of (<i>E</i>)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate and (<i>E</i>)-(3-isopropyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate","Acta Crystallographica Section E","2014","70","10","199","202","10.1107/S1600536814018893","","","0.71073","MoKα","","0.0819","0.0472","","","0.1159","0.1323","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239986","10.3511","0.0005","23.9398","0.001","10.0587","0.0004","90","","94.997","0.002","90","","2483.11","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-(3-Isopropyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C112 H120 N8 O12 -","4","1","SU2763","Raghuvarman, B.; Sivakumar, R.; Thanikachalam, V.; Aravindhan, S.","Crystal structures of (<i>E</i>)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate and (<i>E</i>)-(3-isopropyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate","Acta Crystallographica Section E","2014","70","10","199","202","10.1107/S1600536814018893","","","0.71073","MoKα","","0.0777","0.0518","","","0.1286","0.1451","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239987","10.516","0.002","10.887","0.002","14.981","0.003","76.05","0.03","82.51","0.03","61.22","0.03","1458.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,3-bis{[(1<i>H</i>-pyrrol-2-yl)methylidene]amino-κ<i>N</i>}propan-2-olato-κ<i>O</i>)manganese(III) nitrate methanol monosolvate","","- C27 H34 Mn N9 O6 -","- C27 H34 Mn N9 O6 -","- C54 H68 Mn2 N18 O12 -","2","1","IS5374","Ahn, Seoung Hyun; Shin, Jong Won; Moon, Dohyun","Crystal structure of bis(1,3-bis{[(1<i>H</i>-pyrrol-2-yl)methylidene]amino-κ<i>N</i>}propan-2-olato-κ<i>O</i>)manganese(III) nitrate methanol monosolvate","Acta Crystallographica Section E","2014","70","10","210","212","10.1107/S1600536814020406","","","0.62998","synchrotron","","0.1072","0.0684","","","0.1992","0.223","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239988","9.8417","0.0005","9.9474","0.0006","10.4241","0.0005","103.454","0.002","106.479","0.002","100.856","0.002","915.66","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Trimethylammonium 5-(2,4-dinitrophenyl)-1,3-dimethyl barbiturate","Trimethylammonium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate","","- C15 H19 N5 O7 -","- C15 H19 N5 O7 -","- C30 H38 N10 O14 -","2","1","LH5722","Gunaseelan, Sridevi; Doraisamyraja, Kalaivani","Crystal structure of trimethylammonium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate","Acta Crystallographica Section E","2014","70","10","o1102","o1103","10.1107/S1600536814019977","","","0.71073","MoKα","","0.0758","0.0506","","","0.1429","0.1636","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239989","26.173","0.004","26.173","0.004","12.434","0.003","90","","90","","90","","8518","3","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","2-(1,3,7,9-Tetramethyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrido[2,3-<i>d</i>:6,5-<i>d</i>']dipyrimidin-5-yl)benzamide <i>N</i>,<i>N</i>-dimethylformamide hemisolvate","","- C43 H43 N13 O11 -","- C43 H43 N13 O11 -","- C344 H344 N104 O88 -","8","0.5","HB7283","Ayvazyan, Armen","Crystal structure of 2-(1,3,7,9-tetramethyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrido[2,3-<i>d</i>:6,5-<i>d</i>']dipyrimidin-5-yl)benzamide dimethylformamide hemisolvate","Acta Crystallographica Section E","2014","70","10","213","215","10.1107/S1600536814020200","","","0.71073","MoKα","","0.1277","0.0557","","","0.1088","0.1353","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239990","6.7292","0.0004","12.0367","0.0008","14.6737","0.0009","90","","99.262","0.001","90","","1173.04","0.13","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-<i>n</i>-butyrato-κ^2^<i>O</i>:<i>O</i>')bis[chloridorhenium(III)](<i>Re</i>—<i>Re</i>)","","- C16 H28 Cl2 O8 Re2 -","- C16 H28 Cl2 O8 Re2 -","- C32 H56 Cl4 O16 Re4 -","2","0.5","","Thomson, Michael P.; O'Rourke, Natasha F.; Wang, Ruiyao; Aquino, Manuel A. S.","Crystal structure of tetrakis(μ-<i>n</i>-butyrato-κ^2^<i>O</i>:<i>O</i>')bis[chloridorhenium(III)](<i>Re</i>—<i>Re</i>)","Acta Crystallographica Section E","2014","70","10","m349","m350","10.1107/S1600536814020273","","","0.71073","MoKα","","0.022","0.0192","","","0.0474","0.0486","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239991","7.4066","0.0007","8.0165","0.0008","10.22","0.0009","90","","101.888","0.006","90","","593.8","0.1","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-Hydroxypyrimidine-2-carboximidamide","","- C5 H6 N4 O -","- C5 H6 N4 O -","- C20 H24 N16 O4 -","4","1","SJ5423","Jasmine, Nithianantham Jeeva; Muthiah, Packianathan Thomas; Stanley, Nithianantham","Crystal structure of <i>N</i>'-hydroxypyrimidine-2-carboximidamide","Acta Crystallographica Section E","2014","70","10","o1107","o1108","10.1107/S1600536814020285","","","0.71073","MoKα","","0.0673","0.0537","","","0.163","0.1805","","","","","","1.129","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239992","11.9776","0.0008","11.9776","0.0008","7.3455","0.0007","90","","90","","120","","912.62","0.12","120","2","120","2","","","","","","","","6","P -3","-P 3","147","","<i>catena</i>-Poly[[potassium-tri-μ-dimethylacetamide-κ^6^<i>O</i>:<i>O</i>] iodide]","","- C12 H27 I K N3 O3 -","- C12 H27 I K N3 O3 -","- C24 H54 I2 K2 N6 O6 -","2","0.333333","ZL2601","Comanescu, Cezar-Catalin; Oliver, Allen G.","Crystal structure of <i>catena</i>-poly[[potassium-tri-μ-dimethylacetamide-κ^6^<i>O</i>:<i>O</i>] iodide]","Acta Crystallographica Section E","2014","70","10","196","198","10.1107/S1600536814020005","","","0.71073","MoKα","","0.0252","0.024","","","0.0586","0.0594","","","","","","1.065","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239993","8.6563","0.0013","9.8819","0.0015","13.533","0.002","102.068","0.003","107.786","0.002","96.364","0.002","1058.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(±)-(3a<i>R</i>,5<i>R</i>,8b<i>R</i>)-5-Hydroperoxy-2-phenyl-6-tosyl-4,5,6,8b-tetrahydropyrrolo[3,4-<i>e</i>]indole-1,3(2<i>H</i>,3a<i>H</i>)-dione","","- C23 H20 N2 O6 S -","- C23 H20 N2 O6 S -","- C46 H40 N4 O12 S2 -","2","1","HB7256","Noland, Wayland E.; Gullickson, Glen C.; Dickson, Rozalin R.; Groess, Leah L.; Tritch, Kenneth J.","Crystal structure of (±)-(3a<i>R</i>,5<i>R</i>,8b<i>R</i>)-5-hydroperoxy-2-phenyl-6-tosyl-4,5,6,8b-tetrahydropyrrolo[3,4-<i>e</i>]indole-1,3(2<i>H</i>,3a<i>H</i>)-dione","Acta Crystallographica Section E","2014","70","10","192","195","10.1107/S1600536814019874","","","0.71073","MoKα","","0.0439","0.0364","","","0.1079","0.1161","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239994","6.84764","0.00017","7.27667","0.00018","19.1751","0.0005","90","","90","","90","","955.46","0.04","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(Pyrimidin-2-yl)piperazin-1-ium chloride","","- C8 H13 Cl N4 -","- C8 H13 Cl N4 -","- C32 H52 Cl4 N16 -","4","1","HB7279","Yamuna, Thammarse S.; Jasinski, Jerry P.; Kaur, Manpreet; Anderson, Brian J.; Yathirajan, H. S.","Crystal structures of 4-(pyrimidin-2-yl)piperazin-1-ium chloride and 4-(pyrimidin-2-yl)piperazin-1-ium nitrate","Acta Crystallographica Section E","2014","70","10","203","206","10.1107/S1600536814020169","","","1.54184","CuKα","","0.0364","0.0347","","","0.0892","0.0908","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239995","10.5272","0.0006","7.223","0.0003","14.1575","0.0007","90","","107.341","0.006","90","","1027.58","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Pyrimidin-2-yl)piperazin-1-ium nitrate","","- C8 H13 N5 O3 -","- C8 H13 N5 O3 -","- C32 H52 N20 O12 -","4","1","HB7279","Yamuna, Thammarse S.; Jasinski, Jerry P.; Kaur, Manpreet; Anderson, Brian J.; Yathirajan, H. S.","Crystal structures of 4-(pyrimidin-2-yl)piperazin-1-ium chloride and 4-(pyrimidin-2-yl)piperazin-1-ium nitrate","Acta Crystallographica Section E","2014","70","10","203","206","10.1107/S1600536814020169","","","1.54184","CuKα","","0.062","0.0576","","","0.159","0.1626","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239996","8.9416","0.0007","11.0128","0.0009","18.4635","0.0015","81.441","0.001","83.428","0.001","86.977","0.001","1784.9","0.2","173","2","173","","","","","","","","","6","P -1","-P 1","2","","Poly[aquabis(μ-nitrato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>,<i>O</i>'')tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>'){μ~4~-tetraethyl [(ethane-1,2-diyl)bis(azanediyl)bis(2-oxoethane-2,1-diyl)]diphosphonate-κ^2^<i>O</i>,<i>O</i>'}disamarium(III)]","","- C14 H32 N8 O27 P2 Sm2 -","- C14 H32 N8 O27 P2 Sm2 -","- C28 H64 N16 O54 P4 Sm4 -","2","1","","Stoscup, Julie A.; Staples, Richard J.; Biros, Shannon M.","Crystal structure of a samarium(III) nitrate chain cross-linked by a bis-carbamoylmethylphosphine oxide ligand","Acta Crystallographica Section E","2014","70","10","188","191","10.1107/S1600536814020078","","","0.71073","MoKα","","0.0324","0.027","","","0.0645","0.0679","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239997","8.183","0.0002","11.2706","0.0002","14.5386","0.0004","90","","119.696","0.002","90","","1164.76","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-pentyloxybenzamide","2-pentyloxybenzamide","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","SU2779","Bugenhagen, Bernhard; Al Jasem, Yosef; Thiemann, Thies","Crystal structure of 2-pentyloxybenzamide","Acta Crystallographica Section E","2014","70","10","231","234","10.1107/S1600536814020571","","","1.5418","CuKα","","0.0499","0.0409","","","0.1071","0.1152","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239998","6.6174","0.0008","26.668","0.004","10.0264","0.0013","90","","104.446","0.015","90","","1713.4","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ethylenediammonium Praseodymium(III) hexasulfate hexahydrate","tris(ethylenediammonium) di[praseodymium(III)] hexasulfate hexahydrate","","- C6 H42 N6 O30 Pr2 S6 -","- C6 H42 N6 O30 Pr2 S6 -","- C12 H84 N12 O60 Pr4 S12 -","2","0.5","WM5057","Held, Peter","Crystal structure of tris(ethylenediammonium) di[praseodymium(III)] hexasulfate hexahydrate","Acta Crystallographica Section E","2014","70","10","235","237","10.1107/S1600536814020704","","","0.71073","MoKα","","0.0419","0.0276","","","0.0631","0.0688","","","","","","0.967","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239999","8.485","0.002","10.336","0.002","12.057","0.003","80.515","0.003","88.008","0.003","86.249","0.004","1040.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","4-((1<i>E</i>)-1-{(2<i>Z</i>)-2-[4-(4-Bromophenyl)-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene]hydrazin-1-ylidene}ethyl)phenol hemihydrate","","- C23 H19 Br N3 O1.5 S -","- C23 H19 Br N3 O1.5 S -","- C46 H38 Br2 N6 O3 S2 -","2","1","QM2108","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","Crystal structure of 4-((1<i>E</i>)-1-{(2<i>Z</i>)-2-[4-(4-bromophenyl)-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene]hydrazin-1-ylidene}ethyl)phenol hemihydrate","Acta Crystallographica Section E","2014","70","10","o1124","o1125","10.1107/S1600536814019473","","","0.71073","MoKα","","0.0693","0.0462","","","0.1134","0.1264","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240000","14.0377","0.0005","12.9071","0.0005","14.2995","0.0005","90","","113.605","0.0008","90","","2374.09","0.15","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1,3-Dimethyl-2-[(3-nitrophenyl)triaz-2-enylidene]-2,3-dihydro-1<i>H</i>-imidazole","","- C11 H12 N6 O2 -","- C11 H12 N6 O2 -","- C88 H96 N48 O16 -","8","2","SU2778","Patil, Siddappa; Bugarin, Alejandro","Crystal structure of (<i>E</i>)-1,3-dimethyl-2-[(3-nitrophenyl)triaz-2-enylidene]-2,3-dihydro-1<i>H</i>-imidazole","Acta Crystallographica Section E","2014","70","10","224","227","10.1107/S1600536814020698","","","0.71073","MoKα","","0.0811","0.0488","","","0.1143","0.1281","","","","","","1.034","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240001","23.7638","0.0019","8.7046","0.0007","14.6559","0.0011","90","","102.133","0.003","90","","2963.9","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>N</i>-dichlorofluoromethylthio-<i>N</i>',<i>N</i>'-dimethyl-<i>N</i>-<i>p</i>-tolylsulfamide","","- C10 H13 Cl2 F N2 O2 S2 -","- C10 H13 Cl2 F N2 O2 S2 -","- C80 H104 Cl16 F8 N16 O16 S16 -","8","1","SJ5426","Cho, Seonghwa; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho","Crystal structure of tolylfluanid","Acta Crystallographica Section E","2014","70","10","o1114","o1115","10.1107/S1600536814020741","","","0.71073","MoKα","","0.0742","0.0575","","","0.1302","0.1346","","","","","","1.135","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240002","15.7102","0.0005","10.7491","0.0003","24.3648","0.0007","90","","90","","90","","4114.5","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(1<i>H</i>-Indol-3-yl)-2-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile","","- C27 H19 N3 O -","- C27 H19 N3 O -","- C216 H152 N24 O8 -","8","1","HB7280","Vishnupriya, R.; Suresh, J.; Sakthi, Marimuthu; Perumal, Subbu; Lakshman, P. L. Nilantha","Crystal structure of 4-(1<i>H</i>-indol-3-yl)-2-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","10","o1120","o1121","10.1107/S1600536814020170","","","0.71073","MoKα","","0.0582","0.0387","","","0.0915","0.1039","","","","","","1.01","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240003","11.8746","0.0006","12.2023","0.0005","13.776","0.0006","97.557","0.003","110.52","0.002","113.866","0.002","1620.2","0.14","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[(4-bromophenyl)amino]-3,4-dimethylpent-3-enoate","","- C15 H20 Br N O2 -","- C15 H20 Br N O2 -","- C60 H80 Br4 N4 O8 -","4","2","HG5408","Zukerman-Schpector, Julio; Caracelli, I.; Stefani, Hélio A.; Khan, Amna N.; Tiekink, Edward R. T.","Crystal structure of ethyl 2-[(4-bromophenyl)amino]-3,4-dimethylpent-3-enoate","Acta Crystallographica Section E","2014","70","10","o1122","o1123","10.1107/S1600536814020832","","","0.71073","MoKα","","0.0734","0.0452","","","0.1155","0.1291","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240004","10.9391","0.0006","10.4655","0.0004","13.3159","0.0005","90","","97.419","0.004","90","","1511.68","0.12","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","moexipril hydrochloride","[(2<i>S</i>)-1-[(3<i>S</i>)-3-carboxy-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl]-1-oxopropan-2-yl][(2<i>S</i>)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azanium chloride acetonitrile monosolvate","","- C29 H38 Cl N3 O7 -","- C29 H38 Cl N3 O7 -","- C58 H76 Cl2 N6 O14 -","2","1","KQ2014","Li, Ai-zhen; Xu, Wen-jie","Crystal structure of [(2<i>S</i>)-1-[(3<i>S</i>)-3-carboxy-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl]-1-oxopropan-2-yl][(2<i>S</i>)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azanium chloride acetonitrile monosolvate","Acta Crystallographica Section E","2014","70","10","o1126","o1127","10.1107/S160053681402090X","","","1.54184","CuKα","","0.0341","0.0331","","","0.0858","0.0869","","","","","","1.03","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240005","12.7371","0.0003","10.9189","0.0003","11.63","0.0003","90","","92.661","0.001","90","","1615.7","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bromodinaphthylantimony","Bromidobis(naphthalen-1-yl)antimony(III)","","- C20 H14 Br Sb -","- C20 H14 Br Sb -","- C80 H56 Br4 Sb4 -","4","1","","bin Shawkataly, Omar; Hussien Abdelnasir, Hafiz Malik; Rosli, Mohd Mustaqim","Crystal structure of bromidobis(naphthalen-1-yl)antimony(III)","Acta Crystallographica Section E","2014","70","10","m351","","10.1107/S1600536814020066","","","0.71073","MoKα","","0.0699","0.0598","","","0.186","0.1975","","","","","","1.062","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240006","9.897","0.002","11.8","0.002","14.202","0.003","91.59","0.03","95.32","0.03","104.7","0.03","1595.1","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","9-(4-Bromobutyl)-9<i>H</i>-fluorene-9-carboxylic acid","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C72 H68 Br4 O8 -","4","2","","Zhang, Xu-Yang; Liu, Bing-Ni; Wang, Ping-Bao; Liu, Deng-Ke","Crystal structure of 9-(4-bromobutyl)-9<i>H</i>-fluorene-9-carboxylic acid","Acta Crystallographica Section E","2014","70","10","o1118","o1119","10.1107/S1600536814019564","","","0.71073","MoKα","","0.0829","0.0409","","","0.081","0.0924","","","","","","0.992","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240007","7.6163","0.0004","12.7215","0.0007","17.3478","0.0009","108.238","0.001","92.247","0.002","101.512","0.001","1554.93","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis-(4-dimethylaminopyridinium) bis-(2-nitrobenzoate) trihydrate","","- C14 H18 N3 O5.5 -","- C14 H18 N3 O5.5 -","- C56 H72 N12 O22 -","4","2","SU2777","Sivakumar, N.; Muralidharan, S.; Chakkaravarthi, G.; Velmurugan, D.; Anbalagan, G.","Crystal structure of bis-(4-dimethylaminopyridinium) bis-(2-nitrobenzoate) trihydrate","Acta Crystallographica Section E","2014","70","10","221","223","10.1107/S1600536814020583","","","0.71073","MoKα","","0.061","0.0492","","","0.1414","0.1535","","","","","","1.04","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2240008","6.8655","0.0014","8.1623","0.0016","14.285","0.003","73.97","0.03","88.86","0.03","73.35","0.03","735.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(5-chloro-9,10-anthraquinone-1-carboxylato-κ<i>O</i>)tetraaquacobalt(II) dihydrate","","- C30 H24 Cl2 Co O14 -","- C30 H24 Cl2 Co O14 -","- C30 H24 Cl2 Co O14 -","1","0.5","","Cai, Wen-Juan; Liu, Bo; Liu, Feng-Yi; Kou, Jun-Feng","Crystal structure of bis(5-chloro-9,10-anthraquinone-1-carboxylato-κ<i>O</i>)tetraaquacobalt(II) dihydrate","Acta Crystallographica Section E","2014","70","10","m357","m358","10.1107/S1600536814020972","","","0.71073","MoKα","","0.0841","0.052","","","0.1351","0.1789","","","","","","1.115","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240009","17.7242","0.0005","14.2576","0.0005","17.4321","0.0007","90","","116.259","0.003","90","","3950.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-Aminopyridinium 5-(5-chloro-2,4-dinitrophenyl)-1,3-dimethylbarbiturate hemihydrate","4-Aminopyridinium 5-(5-chloro-2,4-dinitrophenyl)-1,3-dimethylbarbiturate hemihydrate","","- C17 H16 N6 O7.5 cl -","- C17 H16 Cl N6 O7.5 -","- C136 H128 Cl8 N48 O60 -","8","1","SU2786","Vaduganathan, Manickkam; Doraisamyraja, Kalaivani","Crystal structure of 4-aminopyridinium 5-(5-chloro-2,4-dinitrophenyl)-1,3-dimethylbarbiturate hemihydrate","Acta Crystallographica Section E","2014","70","10","256","258","10.1107/S1600536814021084","","","0.71073","MoKα","","0.0882","0.0563","","","0.1383","0.1752","","","","","","1.069","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240010","8.983","0.005","13.241","0.005","14.269","0.005","99.89","0.005","99.204","0.005","105.519","0.005","1572.7","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","6-(4-Chlorophenyl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]\ pyrrolo[1,2-<i>c</i>]thiazole-11,11'-indeno[1,2-<i>b</i>]quinoxaline] chloroform solvate","","- C34 H24 Cl4 N4 O3 S -","- C34 H24 Cl4 N4 O3 S -","- C68 H48 Cl8 N8 O6 S2 -","2","1","RN2127","Sivakumar, Nithya; Viswanathan, Vijayan; Rao, Jonnalagadda Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","Crystal structure of 6-(4-chlorophenyl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,11'-indeno[1,2-<i>b</i>]quinoxaline] chloroform solvate","Acta Crystallographica Section E","2014","70","10","o1111","o1112","10.1107/S1600536814020601","","","0.71073","MoKα","","0.0532","0.0433","","","0.1131","0.1211","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2240011","10.99","0.0002","15.9297","0.0003","11.0178","0.0003","90","","119.884","0.001","90","","1672.39","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","{(VOLaOME)2}","Di-μ-methanolato-κ^4^<i>O</i>:<i>O</i>-bis[<i>N</i>'-(1-benzoylprop-1-en-2-yl)thiophene-2-carbohydrazidato-κ^3^<i>O</i>,<i>N</i>',<i>O</i>']oxidovanadium(V)]","","- C32 H30 N4 O8 S2 V2 -","- C32 H30 N4 O8 S2 V2 -","- C64 H60 N8 O16 S4 V4 -","2","0.5","WM5059","Carroccia, Murilo C.; Pesci, Rafaela B. P.; da Maia, Pedro Ivo; Deflon, Victor M.","Crystal structure of di-μ-methanolato-bis[<i>N</i>'-(1-benzoylprop-1-en-2-yl)thiophene-2-carbohydrazidato-κ^3^<i>O</i>,<i>N</i>',<i>O</i>']oxidovanadium(V)]","Acta Crystallographica Section E","2014","70","10","m353","m354","10.1107/S1600536814020327","","","0.71073","MoKα","","0.0335","0.0288","","","0.0796","0.0832","","","","","","1.041","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240012","8.8756","0.0002","9.3917","0.0002","11.0284","0.0002","65.735","0.001","80.735","0.001","71.145","0.001","792.68","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-Ethyl-3-(4-fluorophenylsulfonyl)-5,7-dimethyl-1-benzofuran","","- C18 H17 F O3 S -","- C18 H17 F O3 S -","- C36 H34 F2 O6 S2 -","2","1","ZP2015","Choi, Hong Dae; Lee, Uk","Crystal structure of 2-ethyl-3-(4-fluorophenylsulfonyl)-5,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","10","249","251","10.1107/S1600536814019436","","","0.71073","MoKα","","0.0418","0.0373","","","0.1044","0.1081","","","","","","1.065","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240013","9.5807","0.0008","15.172","0.0013","8.737","0.0008","90","","93.618","0.0011","90","","1267.47","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-1-phenyl-5-(1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-pyrazole-4-carbaldehyde","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","SJ5428","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Emary, Talaat I.; Albayati, Mustafa R.","Crystal structure of 3-methyl-1-phenyl-5-(1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2014","70","10","o1131","o1132","10.1107/S1600536814020984","","","0.71073","MoKα","","0.061","0.0438","","","0.1051","0.1136","","","","","","1.068","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240014","10.1458","0.0001","10.609","0.0001","11.0435","0.0002","89.5708","0.0006","72.5903","0.0006","70.7146","0.0007","1065.07","0.03","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","4,5-Bis(3,4,5-trimethoxyphenyl)-2<i>H</i>-1,2,3-triazole methanol solvate","","- C21 H27 N3 O7 -","- C21 H27 N3 O7 -","- C42 H54 N6 O14 -","2","1","SJ5427","Madadi, Nikhil Reddy; Penthala, Narsimha Reddy; Bommagani, Shobanbabu; Parkin, Sean; Crooks, Peter A.","Crystal structure of 4,5-bis(3,4,5-trimethoxyphenyl)-2<i>H</i>-1,2,3-triazole methanol solvate","Acta Crystallographica Section E","2014","70","10","o1128","o1129","10.1107/S1600536814020911","","","0.71073","MoKα","","0.0571","0.0447","","","0.1178","0.1273","","","","","","1.052","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240015","13.8611","0.0003","5.8334","0.00001","16.9942","0.0003","90","","125.998","0.001","90","","1111.7","0.03","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato- <i>κ</i>^2^<i>N,O</i>^1^}nickel(II)","Bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato- <i>κ</i>^2^<i>N,O</i>^1^}nickel(II)","","- C28 H22 F2 N2 Ni O2 -","- C28 H22 F2 N2 Ni O2 -","- C56 H44 F4 N4 Ni2 O4 -","2","0.5","SJ5425","Tajuddin, Amalina Mohd; Bahron, Hadariah; Hanafiah, Rohazila Mohammad; Ibrahim, Nazlina; Fun, Hoong-Kun; Chantrapromma, Suchada","Crystal structure of bis{2-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato- <i>K</i>^2^<i>N,O</i>^1^}nickel(II)","Acta Crystallographica Section E","2014","70","10","252","255","10.1107/S1600536814020546","","","0.71073","MoKα","","0.0318","0.0277","","","0.0693","0.0724","","","","","","1.053","","","","has coordinates,has Fobs","194595","2020-10-21","18:00:00",""
"2240016","6.9632","0.0004","35.846","0.002","7.7879","0.0005","90","","100.375","0.003","90","","1912.1","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-[4-(Benzyloxy)phenyl]-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","","- C26 H19 O3 -","- C26 H19 O3 -","- C104 H76 O12 -","4","1","","Vasanthi, R.; Reuben Jonathan, D.; Ezhilarasi, K. S.; Sathya, S.; Usha, G.","Crystal structure of 3-[4-(benzyloxy)phenyl]-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","Acta Crystallographica Section E","2014","70","10","o1116","o1117","10.1107/S1600536814020868","","","0.71073","MoKα","","0.0815","0.0579","","","0.1544","0.1719","","","","","","0.975","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240017","5.284","0.0008","11.0323","0.0016","14.902","0.002","107.318","0.002","91.59","0.002","99.528","0.002","815.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","4-Chloro-2-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-5-(piperidin-1-yl)\ pyridazin-3(2<i>H</i>)-one","","- C14 H18 Cl N5 O2 S -","- C14 H18 Cl N5 O2 S -","- C28 H36 Cl2 N10 O4 S2 -","2","1","TK5340","Li, Hongsen; Ren, Xinfeng; Li, Ya; Zhao, Linjing","Crystal structure of 4-chloro-2-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-5-(piperidin-1-yl)pyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2014","70","10","o1113","","10.1107/S1600536814020662","","","0.71073","MoKα","","0.0435","0.0386","","","0.1174","0.1213","","","","","","1.581","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240018","23.506","0.009","9.665","0.004","11.344","0.005","90","","94.223","0.007","90","","2570.2","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoate 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium monohydrate","","- C26 H39 N O8 -","- C26 H39 N O8 -","- C104 H156 N4 O32 -","4","1","","Lou, Benyong","Crystal structure of 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoate 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium monohydrate: a new solid form of seratrodast","Acta Crystallographica Section E","2014","70","10","228","230","10.1107/S1600536814020625","","","0.71073","MoKα","","0.1284","0.0736","","","0.2085","0.288","","","","","","1.098","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240019","18.056","0.005","10.294","0.005","21.451","0.005","90","","93.268","0.005","90","","3981","2","110","0.1","110","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-{1'-[3,5-Bis(trifluoromethyl)phenyl]-1,1'-ferrocenediyl}-4-bromothiophene","","- C22 H13 Br F6 Fe S -","- C22 H13 Br F6 Fe S -","- C176 H104 Br8 F48 Fe8 S8 -","8","1","","Poppitz, Elisabeth A.; Korb, Marcus; Lang, Heinrich","Crystal structure of 3-(1'-(3,5-bis(trifluoromethyl)phenyl)-1,1'-ferrocenediyl)-4-bromothiophene","Acta Crystallographica Section E","2014","70","10","238","241","10.1107/S1600536814020674","","","0.71073","MoKα","","0.0621","0.0438","","","0.1146","0.1251","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240020","7.266","0.004","20.93","0.01","18.2","0.009","90","","95.038","0.006","90","","2757","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H47 Al O -","- C32 H47 Al O -","- C128 H188 Al4 O4 -","4","1","XU5813","Wang, Lei; Yang, Li","Crystal structure of (2,6-di-adamantyl-4-<i>tert</i>-butyl-phenolato-<i>{κ</i>O})(di-methyl-<i>{κ</i>C})aluminium(III)","Acta Crystallographica Section E","2014","70","10","m352","","10.1107/S1600536814020492","","","0.71073","MoKα","","0.1684","0.0799","","","0.1938","0.219","","","","","","1.001","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240021","14.2619","0.001","8.62","0.0011","15.4685","0.0018","90","","94.188","0.007","90","","1896.6","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 Mn N5 -","- C48 H36 Mn N5 -","- C96 H72 Mn2 N10 -","2","0.5","ZL2598","Shields, Mason R.; Guzei, Ilia A.; Goll, James G.","5,10,15,20-tetrakis-tetratolylporphyrinatonitridomanganese(V)","Acta Crystallographica Section E","2014","70","10","242","245","10.1107/S1600536814020558","","","1.54178","CuKα","","0.0581","0.0505","","","0.1267","0.1306","","","","","","1.031","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240022","7.1332","0.0002","13.922","0.0003","11.4066","0.0003","90","","101.405","0.002","90","","1110.4","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undeca-8,11-dione ethylene dithioketal","","- C13 H14 O S2 -","- C13 H14 O S2 -","- C52 H56 O4 S8 -","4","1","","Kotha, Sambasivarao; Sreenivasachary, Nampalli; Deodhar, Deepak; Shaikh, Mobin","Crystal structure of the cage derivative pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undeca-8,11-dione ethylene dithioketal","Acta Crystallographica Section E","2014","70","10","246","248","10.1107/S1600536814020790","","","0.71073","MoKα","","0.0307","0.0288","","","0.0814","0.0821","","","","","","1.108","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240023","13.4491","0.0004","14.9488","0.0005","16.126","0.0005","73.387","0.002","71.208","0.002","77.794","0.003","2915.6","0.17","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis(4-hexyl-5-iodothiophen-2-yl)-4,5,6,7-tetrahydro-2-benzothiophene","","- C28 H36 I2 S3 -","- C28 H36 I2 S3 -","- C112 H144 I8 S12 -","4","2","","Linshoeft, Julian; Näther, Christian; Staubitz, Anne","Crystal structure of 1,3-bis(4-hexyl-5-iodothiophen-2-yl)-4,5,6,7-tetrahydro-2-benzothiophene","Acta Crystallographica Section E","2014","70","10","o1133","o1134","10.1107/S1600536814019667","","","0.71073","MoKα","","0.0487","0.0341","","","0.0802","0.0853","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240024","29.094","0.003","4.9911","0.0003","18.312","0.002","90","","98.867","0.008","90","","2627.3","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[4-(4-chlorobenzyl)pyridine-κ<i>N</i>]bis(thiocyanato-κ<i>N</i>)zinc","","- C26 H20 Cl2 N4 S2 Zn -","- C26 H20 Cl2 N4 S2 Zn -","- C104 H80 Cl8 N16 S8 Zn4 -","4","0.5","WM5054","Werner, Julia; Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of bis[4-(4-chlorobenzyl)pyridine-κ<i>N</i>]bis(thiocyanato-κ<i>N</i>)zinc","Acta Crystallographica Section E","2014","70","10","m355","m356","10.1107/S160053681402039X","","","0.71073","MoKα","","0.099","0.0631","","","0.1324","0.1482","","","","","","1.077","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240025","16.374","0.002","6.8898","0.001","15.208","0.002","90","","90","","90","","1715.7","0.4","173","2","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>trans</i>-Acetyldicarbonyl-(<i>η</i>^5^-cyclopentadienyl)-\\ (dimethylphenylphosphine)-molybdenum(II)","","- C17 H19 Mo O3 P -","- C17 H19 Mo O3 P -","- C68 H76 Mo4 O12 P4 -","4","1","","Whited, Matthew T.; Hofmeister, Gretchen E.; Hodges, Connor J.; Jensen, Laramie T.; Keyes, Samuel H.; Ngamnithiporn, Aurapat; Janzen, Daron E.","Crystal structures of <i>trans</i>-acetyldicarbonyl(<i>{η</i>}^5^-cyclopentadienyl)(dimethylphenylphosphane)molybdenum(II) and <i>trans</i>-acetyldicarbonyl(<i>{η</i>}^5^-cyclopentadienyl)(ethyldiphenylphosphane)molybdenum(II)","Acta Crystallographica Section E","2014","70","10","216","220","10.1107/S1600536814020534","","","0.71075","MoKα","","0.025","0.0214","","","0.0435","0.0447","","","","","","1.047","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240026","8.2451","0.0008","11.6132","0.0011","12.5265","0.0012","63.617","0.004","77.167","0.005","84.671","0.006","1047.65","0.18","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 Mo O3 P -","- C23 H23 Mo O3 P -","- C46 H46 Mo2 O6 P2 -","2","1","","Whited, Matthew T.; Hofmeister, Gretchen E.; Hodges, Connor J.; Jensen, Laramie T.; Keyes, Samuel H.; Ngamnithiporn, Aurapat; Janzen, Daron E.","Crystal structures of <i>trans</i>-acetyldicarbonyl(<i>{η</i>}^5^-cyclopentadienyl)(dimethylphenylphosphane)molybdenum(II) and <i>trans</i>-acetyldicarbonyl(<i>{η</i>}^5^-cyclopentadienyl)(ethyldiphenylphosphane)molybdenum(II)","Acta Crystallographica Section E","2014","70","10","216","220","10.1107/S1600536814020534","","","0.71073","MoKα","","0.0327","0.0282","","","0.0661","0.0684","","","","","","1.087","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240027","10.126","0.002","11.09","0.002","12.246","0.002","109.58","0.03","111.5","0.03","91.32","0.03","1188.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl 3,3'-[(4-chlorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","","- C27 H21 Cl N2 O4 -","- C27 H21 Cl N2 O4 -","- C54 H42 Cl2 N4 O8 -","2","1","","Li, Yu-long; Sun, Hong-shun; Jiang, Hong; Xu, Ning; Xu, Hong","Crystal structure of dimethyl 3,3'-[(4-chlorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","Acta Crystallographica Section E","2014","70","10","259","261","10.1107/S1600536814020686","","","0.71073","MoKα","","0.1038","0.057","","","0.1495","0.1768","","","","","","1.008","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240028","9.135","0.0018","12.852","0.003","13.607","0.003","103.69","0.03","105.07","0.03","101.25","0.03","1441.6","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","<i>trans</i>-Difluoridotetrakis-(pyridine-κ<i>N</i>)chromium(III) trichlorido(pyridine-κ<i>N</i>)zincate monohydrate","","- C25 H27 Cl3 Cr F2 N5 O Zn -","- C25 H27 Cl3 Cr F2 N5 O Zn -","- C50 H54 Cl6 Cr2 F4 N10 O2 Zn2 -","2","1","LH5726","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of <i>trans</i>-difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III) trichlorido(pyridine-κ<i>N</i>)zincate monohydrate from synchrotron data","Acta Crystallographica Section E","2014","70","11","290","293","10.1107/S160053681402145X","","","0.62998","synchrotron","","0.0379","0.0372","","","0.0991","0.0996","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240029","5.793","0.003","14.091","0.003","22.064","0.007","90","","98.945","0.017","90","","1779.2","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trimethylposphinesulfidecopper(I) thiocyanate","Poly[(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)(trimethylphosphine sulfide-κ<i>S</i>)copper(I)]","","- C4 H9 Cu N P S2 -","- C4 H9 Cu N P S2 -","- C32 H72 Cu8 N8 P8 S16 -","8","2","PK2530","Corfield, Peter W. R.","Crystal structure of poly[(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)(trimethylphosphine sulfide-κ<i>S</i>)copper(I)]","Acta Crystallographica Section E","2014","70","11","281","285","10.1107/S1600536814021412","","","1.5418","CuKα","","0.0406","0.0265","","","0.0649","0.0755","","","","","","0.787","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2240030","9.5894","0.0005","12.5007","0.0007","12.3709","0.0008","90","","109.984","0.007","90","","1393.66","0.15","291","","291","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Valeroyl-beta-3-Ac6c-OH","2-(1-Pentanamidocyclohexyl)acetic acid","","- C13 H23 N O3 -","- C13 H23 N O3 -","- C52 H92 N4 O12 -","4","1","","Ahmad Wani, Naiem; Gupta, Vivek K.; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor","Conformation and crystal structures of 1-aminocyclohexaneacetic acid (β^3,3^Ac~6~c) in N-protected derivatives","Acta Crystallographica Section E","2014","70","11","272","277","10.1107/S1600536814020777","","","0.71073","MoKα","","0.1047","0.0683","","","0.1803","0.2132","","","","","","1.034","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240031","6.0834","0.0004","12.7642","0.0009","12.8399","0.0009","94.018","0.006","92.295","0.006","100.489","0.006","976.53","0.12","291","","291","","","","","","","","","4","P -1","-P 1","2","Fmoc-beta-3,3-Ac6c-OH","2-(1-{[(9H-fluoren-9-yloxy)carbonyl]amino}cyclohexyl)acetic acid","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C46 H50 N2 O8 -","2","1","","Ahmad Wani, Naiem; Gupta, Vivek K.; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor","Conformation and crystal structures of 1-aminocyclohexaneacetic acid (β^3,3^Ac~6~c) in N-protected derivatives","Acta Crystallographica Section E","2014","70","11","272","277","10.1107/S1600536814020777","","","0.71073","MoKα","","0.127","0.0543","","","0.0673","0.086","","","","","","0.974","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240032","8.7135","0.0001","10.5321","0.0001","14.3907","0.0002","90","","90","","90","","1320.66","0.03","291","","291","","","","","","","","","4","P c a 21","P 2c -2ac","29","Pyr-beta-3,3-Ac6c-OH","2-[1-(Pyrazine-2-amido)cyclohexyl]acetic acid","","- C13 H17 N3 O3 -","- C13 H17 N3 O3 -","- C52 H68 N12 O12 -","4","1","","Ahmad Wani, Naiem; Gupta, Vivek K.; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor","Conformation and crystal structures of 1-aminocyclohexaneacetic acid (β^3,3^Ac~6~c) in N-protected derivatives","Acta Crystallographica Section E","2014","70","11","272","277","10.1107/S1600536814020777","","","0.71073","MoKα","","0.0462","0.0418","","","0.1019","0.1056","","","","","","1.041","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240033","8.36074","0.00015","15.5479","0.0003","23.6898","0.0004","90","","94.163","0.001","90","","3071.36","0.1","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Fluorobenzoyl)-2,7-dimethoxynaphthalene","","- C19 H15 F O3 -","- C19 H15 F O3 -","- C152 H120 F8 O24 -","8","2","RZ5132","Mohri, Saki; Ohisa, Shinji; Tsumuki, Takehiro; Yonezawa, Noriyuki; Okamoto, Akiko","Crystal structure of 1-(2-fluorobenzoyl)-2,7-dimethoxynaphthalene","Acta Crystallographica Section E","2014","70","11","278","280","10.1107/S1600536814020807","","","1.54187","CuKα","","0.0554","0.0431","","","0.1167","0.1246","","","","","","1.038","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240034","7.949","0.004","10.134","0.005","16.444","0.008","105.43","0.05","95.37","0.04","102.17","0.04","1232.4","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>meso</i>-Tetrakis(4-nitrophenyl)porphyrin nitrobenzene disolvate","","- C56 H36 N10 O12 -","- C56 H36 N10 O12 -","- C56 H36 N10 O12 -","1","0.5","XU5821","Seredyuk, Maksym; Gumienna‒Kontecka, Elzbieta; Brzuszkiewicz, Anna; Iskenderov, Turganbay S.; Kalibabchuk, Valentina A.","Crystal structure of <i>meso</i>-tetrakis(4-nitrophenyl)porphyrin nitrobenzene disolvate","Acta Crystallographica Section E","2014","70","11","o1147","o1148","10.1107/S1600536814021503","","","0.71073","MoKα","","0.1211","0.0863","","","0.2503","0.2752","","","","","","1.098","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240035","8.5205","0.0006","12.0394","0.0007","31.4321","0.0018","90","","92.982","0.006","90","","3220","0.3","200","1","200","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5-(4-Bromophenyl)-1,3,4-thiadiazol-2-amine‒4-nitrobenzoic acid (1/1)","5-(4-Bromophenyl)-1,3,4-thiadiazol-2-amine‒4-nitrobenzoic acid (1/1)","","- C15 H11 Br N4 O4 S -","- C15 H11 Br N4 O4 S -","- C120 H88 Br8 N32 O32 S8 -","8","1","LH5731","Smith, Graham; Lynch, Daniel E.","Crystal structures of the co-crystalline adduct 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine‒4-nitrobenzoic acid (1/1) and the salt 2-amino-5-(4-bromophenyl)-1,3,4-thiadiazol-3-ium 2-carboxy-4,6-dinitrophenolate","Acta Crystallographica Section E","2014","70","11","294","297","10.1107/S1600536814021138","","","0.71073","MoKα","","0.0621","0.0444","","","0.0861","0.0934","","","","","","1.054","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240036","5.8017","0.0003","10.1903","0.0005","15.1592","0.0009","88.884","0.004","82.438","0.005","85.47","0.004","885.62","0.08","200","1","200","1","","","","","","","","6","P -1","-P 1","2","2-Amino-5-(4-bromophenyl)-1,3,4-thiadiazol-3-ium 3,5-dinitrosalicylate","2-Amino-5-(4-bromophenyl)-1,3,4-thiadiazol-3-ium 2-carboxy-4,6-dinitrophenolate","","- C15 H10 Br N5 O7 S -","- C15 H10 Br N5 O7 S -","- C30 H20 Br2 N10 O14 S2 -","2","1","LH5731","Smith, Graham; Lynch, Daniel E.","Crystal structures of the co-crystalline adduct 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine‒4-nitrobenzoic acid (1/1) and the salt 2-amino-5-(4-bromophenyl)-1,3,4-thiadiazol-3-ium 2-carboxy-4,6-dinitrophenolate","Acta Crystallographica Section E","2014","70","11","294","297","10.1107/S1600536814021138","","","0.71073","MoKα","","0.0852","0.0576","","","0.1196","0.134","","","","","","1.083","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240037","11.2244","0.0004","6.8288","0.0003","11.6641","0.0005","90","","104.577","0.002","90","","865.26","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Chloro-5-isopropylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C28 H36 Cl4 N8 O8 -","4","1","SJ5429","Haress, Nadia G.; Ghabbour, Hazem A.; El-Emam, Ali A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","Crystal structure of 6-chloro-5-isopropylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2014","70","11","o1144","o1145","10.1107/S1600536814021382","","","1.54178","CuKα","","0.0414","0.0395","","","0.112","0.1138","","","","","","1.055","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240038","8.894","0.002","13.7187","0.0016","10.68","0.002","90","","111.575","0.017","90","","1211.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4'-(6,7-Dimethoxy-3,4-dihydro-1<i>H</i>-isoquinolin-2-yl-\ methyl)-biphenyl-4-ol methanol disolvate","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C52 H66 N2 O10 -","2","1","HB7266","Altomare, Angela; Capparelli, Elena; Carrieri, Antonio; Colabufo, Nicola A.; Moliterni, Anna; Rizzi, Rosanna; Siliqi, Dritan","Crystallographic study of PET radiotracers in clinical evaluation for early diagnosis of Alzheimers","Acta Crystallographica Section E","2014","70","11","o1149","o1150","10.1107/S1600536814021400","","","0.71073","MoKα","","0.1666","0.0607","","","0.0899","0.1147","","","","","","0.964","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240039","7.627","0.0017","7.2603","0.0016","13.58","0.003","90","","91.91","0.02","90","","751.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[(5-amino-1<i>H</i>-1,2,4-triazol-3-yl-κ<i>N</i>^4^)acetato-κ<i>O</i>]diaquanickel(II) dihydrate","","- C8 H18 N8 Ni O8 -","- C8 H18 N8 Ni O8 -","- C16 H36 N16 Ni2 O16 -","2","0.5","WM5066","Chernyshev, Victor M.; Chernysheva, Anna V.; Abagyan, Raisa S.; Rybakov, Victor B.","Crystal structure of bis[(5-amino-1<i>H</i>-1,2,4-triazol-3-yl-κ<i>N</i>^4^)acetato-κ<i>O</i>]diaquanickel(II) dihydrate","Acta Crystallographica Section E","2014","70","11","286","289","10.1107/S1600536814021436","","","0.56085","AgKα","","0.0581","0.0345","","","0.0693","0.0767","","","","","","1.016","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240040","6.5224","0.0014","15.216","0.003","29.934","0.006","90","","94.296","0.003","90","","2962.4","1","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Propane-1,3-diylbis(piperidine-4,1-diyl)]bis[(pyridin-4-yl)methanone]‒isophthalic acid (1/1)","","- C33 H38 N4 O6 -","- C33 H38 N4 O6 -","- C132 H152 N16 O24 -","4","1","HG5409","Murray, Nathan H.; Biros, Shannon M.; LaDuca, Robert L.","Crystal structure of [propane-1,3-diylbis(piperidine-4,1-diyl)]bis[(pyridin-4-yl)methanone]‒isophthalic acid (1/1)","Acta Crystallographica Section E","2014","70","11","298","300","10.1107/S1600536814021679","","","0.71073","MoKα","","0.1012","0.0484","","","0.0915","0.1096","","","","","","1.008","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240041","8.3037","0.0011","7.0999","0.0006","12.0767","0.0015","90","","93.402","0.013","90","","710.73","0.14","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Ethoxypyridin-1-ium-2-olate","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C28 H36 N4 O8 -","4","1","ZQ2227","Luo, Kaijun; Guo, Qing; Wang, Yan; Luo, Daibing","Crystal structure of 6-ethoxypyridin-1-ium-2-olate","Acta Crystallographica Section E","2014","70","11","o1146","","10.1107/S1600536814020224","","","0.71073","MoKα","","0.0843","0.0553","","","0.1268","0.1504","","","","","","1.09","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240042","11.8565","0.0004","18.0786","0.0005","20.5785","0.0006","90","","105.981","0.003","90","","4240.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquachloridobis(2-ethoxy-6-formylphenolato-κ^2^<i>O</i>^1^,<i>O</i>^6^)iron(III) acetonitrile hemisolvate","","- C19 H21.5 Cl Fe N0.5 O7 -","- C19 H21.5 Cl Fe N0.5 O7 -","- C152 H172 Cl8 Fe8 N4 O56 -","8","2","LH5728","Jiang, Xi-Fu; Zhao, Ru-Xia; Zhang, Shu-Hua","Crystal structure of aquachloridobis(2-ethoxy-6-formylphenolato-κ^2^<i>O</i>^1^,<i>O</i>^6^)iron(III) acetonitrile hemisolvate","Acta Crystallographica Section E","2014","70","11","269","271","10.1107/S1600536814021205","","","0.71073","MoKα","","0.0491","0.0366","","","0.0887","0.0972","","","","","","1.004","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240043","8.7884","0.0017","11.334","0.004","11.897","0.002","64.91","0.05","82.04","0.06","87.98","0.07","1062.5","0.7","120","","120","","","","","","","","","6","P -1","-P 1","2","","Di-μ-fluorido-bis{tris[(6-methylpyridin-2-yl)methyl)amine}dicobalt(II) bis(tetrafluoridoborate)","","- C42 H48 B2 Co2 F10 N8 -","- C42 H48 B2 Co2 F10 N8 -","- C42 H48 B2 Co2 F10 N8 -","1","0.5","IS5368","Inomata, Masataka; Suenaga, Yusaku","Crystal structure of a dinuclear Co^II^ complex with bridging fluoride ligands: di-μ-fluorido-bis{tris[(6-methylpyridin-2-yl)methyl]amine}dicobalt(II) bis(tetrafluoridoborate)","Acta Crystallographica Section E","2014","70","11","m359","m360","10.1107/S1600536814021631","","","0.71075","MoKα","","0.0703","0.0527","","","0.1398","0.1569","","","","","","1.013","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240044","9.2752","0.0004","35.7838","0.0015","10.9515","0.0005","90","","100.721","0.004","90","","3571.4","0.3","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","Triphenyl(vinyl)phosphonium tetraphenylborate","","- C45 H40 B P -","- C45 H40 B P -","- C180 H160 B4 P4 -","4","2","","Bradfield, Joseph L.; Braun, Richard A.; White, Frankie; Hendrich, Jeffrey M.; Sykora, Richard E.; Mirjafari, Arsalan","Crystal structure of triphenyl(vinyl)phosphonium tetraphenylborate","Acta Crystallographica Section E","2014","70","10","o1143","","10.1107/S1600536814021357","","","0.7107","MoKα","","0.088","0.058","","","0.0947","0.1054","","","","","","1.011","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240045","7.5041","0.0005","15.4848","0.0009","15.5589","0.001","71.963","0.005","80.731","0.005","76.832","0.005","1665.87","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(4<i>Z</i>)-1-(3,4-Dichlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-3-methyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one","","- C18 H14 Cl2 N2 O2 -","- C18 H14 Cl2 N2 O2 -","- C72 H56 Cl8 N8 O8 -","4","2","","Sharma, Naresh; Parihar, Sanjay; Jadeja, R. N.; Kant, Rajni; Gupta, Vivek K.","Crystal structure of (4<i>Z</i>)-1-(3,4-dichlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-3-methyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one","Acta Crystallographica Section E","2014","70","10","o1136","o1137","10.1107/S160053681402114X","","","0.71073","MoKα","","0.1079","0.0542","","","0.112","0.1403","","","","","","0.993","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240046","3.8199","0.0004","14.0706","0.0016","12.1066","0.0015","90","","97.715","0.003","90","","644.82","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,6-bis(2-Chlorophenyl)-1,2,4,5-tetrazine","","- C14 H8 Cl2 N4 -","- C14 H8 Cl2 N4 -","- C28 H16 Cl4 N8 -","2","0.5","NK2226","Kang, Gihaeng; Cho, Seonghwa; Lee, Sangjin; Kim, Tae Ho","Crystal structure of 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine: the acaricide clofentezine","Acta Crystallographica Section E","2014","70","10","o1135","","10.1107/S1600536814021291","","","0.71073","MoKα","","0.0457","0.0375","","","0.0912","0.0955","","","","","","1.067","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240047","7.511","0.0005","4.9298","0.0003","16.6625","0.0016","90","","93.268","0.006","90","","615.97","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(5<i>R</i>)-5-[(1<i>S</i>)-1,2-dihydroxyethyl]-4-methoxy-3-phenyl-2,5-dihydrofuran-2-one","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","LH5729","Kote, Santosh R.; Thopate, Shankar R.; Gupta, Sushil K.; Butcher, Ray J.","Crystal structure of (5<i>R</i>)-5-[(1<i>S</i>)-1,2-dihydroxyethyl]-4-methoxy-3-phenyl-2,5-dihydrofuran-2-one","Acta Crystallographica Section E","2014","70","10","o1141","o1142","10.1107/S1600536814021370","","","0.71073","MoKα","","0.1409","0.0592","","","0.0976","0.1263","","","","","","1.052","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240048","7.8853","0.0002","9.0404","0.0003","9.4801","0.0003","70.66","0.004","73.817","0.003","75.145","0.002","602.28","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Crystal structure of bis(4-allyl-2-methoxyphenyl) terephthalate","","- C28 H26 O6 -","- C28 H26 O6 -","- C28 H26 O6 -","1","0.5","TK5342","Kang, Sung Kwon; Han, Byung Hee","Crystal structure of bis(4-allyl-2-methoxyphenyl) terephthalate","Acta Crystallographica Section E","2014","70","10","o1138","","10.1107/S1600536814021229","","","0.71073","MoKα","","0.073","0.0508","","","","0.1727","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240049","14.7955","0.0004","3.99062","0.00015","22.924","0.0008","90","","96.906","0.003","90","","1343.69","0.08","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Bromobenzoic acid","","- C7 H5 Br O2 -","- C7 H5 Br O2 -","- C56 H40 Br8 O16 -","8","1","SU2783","Kowalska, Kornelia; Trzybiński, Damian; Sikorski, Artur","Crystal structure of 2-bromobenzoic acid at 120K: a redetermination","Acta Crystallographica Section E","2014","70","10","o1139","o1140","10.1107/S160053681402087X","","","1.54184","CuKα","","0.0352","0.0345","","","0.0902","0.0906","","","","","","1.178","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240050","11.7027","0.0003","21.7157","0.0007","13.9377","0.0004","90","","97.938","0.002","90","","3508.08","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,11-Diaza[3.3](2,6)pyridinophane-\ κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')(1,6,7,12-tetraazaperylene-\ κ^2^<i>N</i>^1^,<i>N</i>^12^)ruthenium(II) bis(hexafluoridophosphate) acetonitrile 1.422-solvate","","- C32.84 H28.27 F12 N9.42 P2 Ru -","- C32.843 H28.2645 F12 N9.4215 P2 Ru -","- C131.372 H113.058 F48 N37.686 P8 Ru4 -","4","1","ZL2602","Brietzke, Thomas; Rottke, Falko Otto; Kelling, Alexandra; Schilde, Uwe; Holdt, Hans-Jürgen","Crystal structure of (2,11-diaza[3.3](2,6)pyridinophane-<i>{κ</i>}^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')(1,6,7,12-tetraazaperylene-<i>{κ</i>}^2^<i>N</i>^1^,<i>N</i>^12^)ruthenium(II) bis(hexafluoridophosphate) acetonitrile 1.422-solvate","Acta Crystallographica Section E","2014","70","10","265","268","10.1107/S1600536814021060","","","0.71073","MoKα","","0.0567","0.0476","","","0.14","0.1461","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240051","13.527","0.0003","10.015","0.0002","15.256","0.0003","90","","113.803","0.001","90","","1890.97","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(2-Chloroacetyl)-2,6-bis(4-fluorophenyl)-3,3-dimethylpiperidin-4-one","","- C21 H20 Cl F2 N O2 -","- C21 H20 Cl F2 N O2 -","- C84 H80 Cl4 F8 N4 O8 -","4","1","LH5727","Jothivel, S.; Kotoky, Jibon; Kabilan, S.","Crystal structure of 1-(2-chloroacetyl)-2,6-bis(4-fluorophenyl)-3,3-dimethylpiperidin-4-one","Acta Crystallographica Section E","2014","70","10","262","264","10.1107/S1600536814021278","","","0.71073","MoKα","","0.0518","0.0383","","","0.0868","0.0974","","","","","","1.015","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240052","10.3862","0.0015","10.3862","0.0015","9.2089","0.0014","90","","90","","120","","860.3","0.2","100","1","100","1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Diammonium hexaphosphitopentaferrate(II)","","- Fe5 H14 N2 O18 P6 -","- Fe5 H6 N2.0004 O18 P6 -","- Fe10 H12 N4.0008 O36 P12 -","2","0.166667","","Berrocal, Teresa; Mesa, Jose Luis; Larrea, Edurne; Arrieta, Juan Manuel","Crystal structure of (NH~4~)~2~[Fe^II^~5~(HPO~3~)~6~], a new open-framework phosphite","Acta Crystallographica Section E","2014","70","11","309","311","10.1107/S1600536814021783","","","0.71073","MoKα","","0.0364","0.0332","","","0.0632","0.0651","","","","","","1.168","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240053","6.6797","0.0003","10.0238","0.0004","10.7851","0.0005","90.98","0.004","107.573","0.004","92.138","0.003","687.64","0.05","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chlorophenyl)-2-oxoethyl 3-bromobenzoate","","- C15 H10 Br Cl O3 -","- C15 H10 Br Cl O3 -","- C30 H20 Br2 Cl2 O6 -","2","1","HG5410","Khan, Imtiaz; Ibrar, Aliya; Hameed, Shahid; White, Jonathan M.; Simpson, Jim","Crystal structure of 2-(4-chlorophenyl)-2-oxoethyl 3-bromobenzoate","Acta Crystallographica Section E","2014","70","11","301","304","10.1107/S1600536814021643","","","0.71073","MoKα","","0.0303","0.0266","","","0.0616","0.0638","","","","","","1.051","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240054","7.8969","0.0002","8.1489","0.0002","24.3146","0.0006","90","","96.21","0.001","90","","1555.49","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2-Bromophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","MW2127","Choi, Hong Dae; Lee, Uk","Crystal structure of 3-(2-bromophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","11","o1152","","10.1107/S1600536814021850","","","0.71073","MoKα","","0.0446","0.0309","","","0.0748","0.0802","","","","","","1.028","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240055","12.9784","0.0018","13.0834","0.0018","16.734","0.002","72.754","0.002","75.891","0.002","89.551","0.002","2625.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","5105","[(1,2,3,4,11,12-η)-Anthracene]tris(trimethylstannyl)cobalt(III)","","- C23 H37 Co Sn3 -","- C23 H37 Co Sn3 -","- C92 H148 Co4 Sn12 -","4","2","BG2536","Brennessel, William W.; Ellis, John E.","Crystal structure of [(1,2,3,4,11,12-η)-anthracene]tris(trimethylstannyl)cobalt(III)","Acta Crystallographica Section E","2014","70","11","312","315","10.1107/S1600536814021709","","","0.71073","MoKα","","0.0521","0.0375","","","0.0804","0.0856","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240056","6.3702","0.0007","20.647","0.002","9.2717","0.001","90","","98.365","0.003","90","","1206.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-<i>N</i>-Methyl-2-[(4-oxo-4<i>H</i>-chromen-3-yl)methylidene]hydrazinecarbothioamide","","- C12 H11 N3 O2 S -","- C12 H11 N3 O2 S -","- C48 H44 N12 O8 S4 -","4","1","HB7287","Vimala, G.; Govindaraj, J.; Haribabu, J.; Karvembu, C.; SubbiahPandi, A.","Crystal structure of (2<i>E</i>)-<i>N</i>-methyl-2-[(4-oxo-4<i>H</i>-chromen-3-yl)methylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","11","o1151","","10.1107/S1600536814021667","","","0.71073","MoKα","","0.0769","0.0427","","","0.1087","0.1313","","","","","","1.063","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240057","7.207","0.001","11.047","0.001","13.619","0.001","95.3","0.01","99.81","0.01","99.05","0.01","1047.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","{μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(methanol)(nitrato)nickel(II)sodium","","- C19 H22 N3 Na Ni O8 -","- C19 H22 N3 Na Ni O8 -","- C38 H44 N6 Na2 Ni2 O16 -","2","1","ZL2599","Moroz, Olesia V.; Trush, Viktor A.; Sliva, Tatiana Yu.; Konovalova, Irina S.; Amirkhanov, Vladimir M.","Crystal structure of {μ-6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(methanol)(nitrato)nickel(II)sodium","Acta Crystallographica Section E","2014","70","11","305","308","10.1107/S160053681402159X","","","0.71073","MoKα","","0.0615","0.0354","","","0.0761","0.0809","","","","","","0.903","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240058","9.9238","0.0013","7.3322","0.001","23.028","0.003","90","","90","","90","","1675.6","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Methyl 3-phenyl-1,3,4,5-tetrahydro-2-benzoxepine-4-carboxylate","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","SU2789","Govindaraj, J.; Raja, R.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.","Crystal structures of methyl 3-phenyl-4,5-dihydro-1<i>H</i>,3<i>H</i>-benzo[4,5]imidazo[2,1-<i>c</i>][1,4]oxazepine-4-carboxylate and methyl 1-methyl-3-phenyl-4,5-dihydro-1<i>H</i>,3<i>H</i>-benzo[4,5]imidazo[2,1-<i>c</i>][1,4]oxazepine-4-carboxylate","Acta Crystallographica Section E","2014","70","11","316","318","10.1107/S1600536814021655","","","0.71073","MoKα","","0.0562","0.0361","","","0.0787","0.0888","","","","","","1.044","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240059","9.1115","0.0007","9.647","0.0008","19.4856","0.0015","90","","90","","90","","1712.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 1-methyl-3-phenyl-4,5-dihydro-1<i>H</i>,3<i>H</i>-benzo[4,5]imidazo[2,1-<i>c</i>][1,4]oxazepine-4-carboxylate","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","SU2789","Govindaraj, J.; Raja, R.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.","Crystal structures of methyl 3-phenyl-4,5-dihydro-1<i>H</i>,3<i>H</i>-benzo[4,5]imidazo[2,1-<i>c</i>][1,4]oxazepine-4-carboxylate and methyl 1-methyl-3-phenyl-4,5-dihydro-1<i>H</i>,3<i>H</i>-benzo[4,5]imidazo[2,1-<i>c</i>][1,4]oxazepine-4-carboxylate","Acta Crystallographica Section E","2014","70","11","316","318","10.1107/S1600536814021655","","","0.71073","MoKα","","0.0613","0.037","","","0.0774","0.0894","","","","","","1.059","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240060","6.4531","0.0006","13.6967","0.0013","17.9352","0.0017","90","","93.636","0.001","90","","1582","0.3","153","2","153","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>tert</i>-Butyl-<i>N</i>-phenylcarbonitrilium tetrachloridoaluminate","2,2-Dimethyl-<i>N</i>-phenylpropanenitrilium tetrachloridoaluminate","","- C11 H14 Al Cl4 N -","- C11 H14 Al Cl4 N -","- C44 H56 Al4 Cl16 N4 -","4","1","KJ2242","van Dijk, Tom; Zant, Dirk W.; Wolf, Robert; Lammertsma, Koop; Slootweg, J. Chris","Crystal structure of <i>tert</i>-butyl-<i>N</i>-phenylcarbonitrilium tetrachloridoaluminate","Acta Crystallographica Section E","2014","70","11","331","333","10.1107/S1600536814022028","","","0.71073","MoKα","","0.0409","0.03","","","0.0754","0.0808","","","","","","1.034","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240061","11.3395","0.0003","8.0093","0.0002","9.0439","0.0002","90","","108.8","0.001","90","","777.56","0.03","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","3-(4-Bromophenylsulfonyl)-2,5,6-trimethyl-1-benzofuran","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C34 H30 Br2 O6 S2 -","2","1","RN2128","Choi, Hong Dae; Lee, Uk","Crystal structure of 3-(4-bromophenylsulfonyl)-2,5,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","11","325","327","10.1107/S1600536814022119","","","0.71073","MoKα","","0.0275","0.0241","","","0.0547","0.0558","","","","","","0.999","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240062","7.834","0.001","8.0455","0.0009","12.7952","0.0015","79.492","0.005","77.096","0.004","86.637","0.005","772.78","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","6,6'-Dimethyl-2<i>H</i>,2'<i>H</i>-3,4'-bichromene-2,2'-dione","","- C20 H14 O4 -","- C20 H14 O4 -","- C40 H28 O8 -","2","1","IS5375","Pujar, Kiran K.; Kulkarni, Manohar V.; Anil Kumar, G. N.","Crystal structure of 6,6'-dimethyl-2<i>H</i>,2'<i>H</i>-3,4'-bichromene-2,2'-dione","Acta Crystallographica Section E","2014","70","11","319","321","10.1107/S1600536814021825","","","0.71073","MoKα","","0.0656","0.0455","","","0.1238","0.1397","","","","","","1.049","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240063","22.4334","0.0016","8.3598","0.0006","30.0748","0.0016","90","","125.323","0.004","90","","4601.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[2-(1<i>H</i>-benzimidazol-2-yl)-4-bromophenolato-κ^2^<i>N</i>^3^,<i>O</i>]cobalt(II)","","- C26 H16 Br2 Co N4 O2 -","- C26 H16 Br2 Co N4 O2 -","- C208 H128 Br16 Co8 N32 O16 -","8","2","","Fan, Yan; Qu, Zhi-Rong","Crystal structure of bis[2-(1<i>H</i>-benzimidazol-2-yl)-4-bromophenolato-κ^2^<i>N</i>^3^,<i>O</i>]cobalt(II)","Acta Crystallographica Section E","2014","70","11","m363","m364","10.1107/S1600536814021813","","","0.71073","MoKα","","0.1125","0.0464","","","0.1163","0.166","","","","","","0.966","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240064","9.373","0.0015","9.7117","0.0016","18.937","0.003","84.855","0.002","83.043","0.002","67.477","0.002","1578.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(Quinolin-6-yl)hydroxylamine","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C72 H64 N16 O8 -","8","4","SU2793","Rajapakse, Anuruddha; Hillebrand, Roman; Lewis, Sarah M.; Parsons, Zachary D.; Barnes, Charles L.; Gates, Kent S.","Crystal structure of <i>N</i>-(quinolin-6-yl)hydroxylamine","Acta Crystallographica Section E","2014","70","11","322","324","10.1107/S160053681402193X","","","0.71073","MoKα","","0.0969","0.0742","","","0.2008","0.2238","","","","","","1.057","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240065","10.0033","0.0003","12.9427","0.0003","16.2699","0.0007","90","","102.571","0.004","90","","2055.96","0.12","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-3-[2,2,2-trifluoro-1-(1-methyl-1<i>H</i>-indol-3-yl)-1-phenylethyl]-1<i>H</i>-indole","","- C26 H21 F3 N2 -","- C26 H21 F3 N2 -","- C104 H84 F12 N8 -","4","1","","Liu, Xian-Rong; Zhou, Yan-Ling","Crystal structure of 1-methyl-3-[2,2,2-trifluoro-1-(1-methyl-1<i>H</i>-indol-3-yl)-1-phenylethyl]-1<i>H</i>-indole","Acta Crystallographica Section E","2014","70","11","o1156","","10.1107/S1600536814021916","","","1.54178","CuKα","","0.0577","0.0467","","","0.1425","0.1526","","","","","","1.133","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240066","7.963","0.005","8.823","0.005","9.198","0.005","89.315","0.005","72.421","0.005","66.208","0.005","559.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis{2-[bis(2-hydroxyethyl)amino]ethanol-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}zinc terephthalate","","- C20 H34 N2 O10 Zn -","- C20 H34 N2 O10 Zn -","- C20 H34 N2 O10 Zn -","1","0.5","TK5343","Li, Ya-Ping; Zang, Hu; Sun, Dajun; Ming, Julia; Su, Guan-Fang","Crystal structure of bis{2-[bis(2-hydroxyethyl)amino]ethanol-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}zinc terephthalate","Acta Crystallographica Section E","2014","70","11","m361","m362","10.1107/S1600536814021771","","","0.71069","MoKα","","0.0275","0.0273","","","0.0719","0.0721","","","","","","1.098","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240067","17.177","0.003","7.0429","0.0014","26.543","0.004","90","","116.942","0.009","90","","2862.6","0.9","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2,4,5-trifluoro-3-methoxybenzoato-κ<i>O</i>^1^)cobalt(II) 2,4,5-trifluoro-3-methoxybenzoate","","- C28 H22 Co F6 N2 O9 -","- C28 H22 Co F6 N2 O9 -","- C112 H88 Co4 F24 N8 O36 -","4","1","WM5067","Sun, Junshan","Crystal structure of triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2,4,5-trifluoro-3-methoxybenzoato-κ<i>O</i>^1^)cobalt(II) 2,4,5-trifluoro-3-methoxybenzoate","Acta Crystallographica Section E","2014","70","11","m367","m368","10.1107/S1600536814022077","","","0.71073","MoKα","","0.0388","0.0307","","","0.08","0.0831","","","","","","1.052","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240068","7.269","0.0015","14.497","0.003","14.094","0.003","90","","95.86","0.03","90","","1477.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido{2-[(2-hydroxyethyl)(pyridin-2-ylmethyl)amino]ethanolato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}iron(III) dihydrate","","- C10 H19 Cl2 Fe N2 O4 -","- C10 H17 Cl2 Fe N2 O4 -","- C40 H68 Cl8 Fe4 N8 O16 -","4","1","WM5071","Shin, Jong Won; Kim, Dae-Woong; Moon, Dohyun","Crystal structure of dichlorido{2-[(2-hydroxyethyl)(pyridin-2-ylmethyl)amino]ethanolato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}iron(III) dihydrate from synchrotron data","Acta Crystallographica Section E","2014","70","11","334","336","10.1107/S1600536814022089","","","0.62998","synchrotron","","0.0285","0.0273","","","0.0724","0.0731","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240069","6.6712","0.0013","28.87","0.006","4.992","0.001","90","","100.01","0.03","90","","946.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Acetamidobenzoic acid monohydrate","","- C9 H11 N O4 -","- C9 H11 N O4 -","- C36 H44 N4 O16 -","4","1","","Cai, Wen-Juan; Chi, Shao-Ming; Kou, Jun-Feng; Liu, Feng-Yi","Crystal structure of 4-acetamidobenzoic acid monohydrate","Acta Crystallographica Section E","2014","70","11","o1154","","10.1107/S1600536814021886","","","0.71073","MoKα","","0.0513","0.0399","","","0.1045","0.1155","","","","","","1.057","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240070","13.5081","0.001","7.4743","0.0006","13.9421","0.0011","90","","106.671","0.003","90","","1348.48","0.18","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-[(2-Acetylphenoxy)carbonyl]benzoic acid","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","HB7293","Shoaib, Mohammad; Shah, Ismail; Shah, Syed Wadood Ali; Tahir, Muhammad Nawaz; Ullah, Shafi; Ayaz, Muhammad","Crystal structure of 3-[(2-acetylphenoxy)carbonyl]benzoic acid","Acta Crystallographica Section E","2014","70","11","o1153","","10.1107/S1600536814021904","","","0.71073","MoKα","","0.0578","0.0409","","","0.1024","0.1151","","","","","","1.027","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240071","12.6487","0.0004","7.0786","0.0002","23.72","0.0006","90","","90","","90","","2123.77","0.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-fluoro-cytosinium 3-hydroxypicolinate","4-Amino-5-fluoro-2-oxo-2,3-dihydropyrimidin-1-ium 3-hydroxypicolinate","","- C10 H9 F N4 O4 -","- C10 H9 F N4 O4 -","- C80 H72 F8 N32 O32 -","8","1","TK5344","Kathikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc","Crystal structure of 4-amino-5-fluoro-2-oxo-2,3-dihydropyrimidin-1-ium 3-hydroxypyridine-2-carboxylate","Acta Crystallographica Section E","2014","70","11","328","330","10.1107/S1600536814021898","","","0.71073","MoKα","","0.0562","0.0424","","","0.1041","0.1113","","","","","","1.083","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240072","7.188","0.0008","22.611","0.002","15.2343","0.0015","90","","103.446","0.002","90","","2408.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ-2,3,4,5-tetrafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-κ^2^<i>N</i>:<i>N</i>')(2,3,4,5-tetrafluorobenzoato-κ<i>O</i>)copper(II)] dihydrate","","- C52 H24 Cu2 F16 N4 O10 -","- C52 H24 Cu2 F16 N4 O10 -","- C104 H48 Cu4 F32 N8 O20 -","2","0.5","WM5062","Sun, Junshan","Crystal structure of bis(μ-2,3,4,5-tetrafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-κ^2^<i>N</i>:<i>N</i>')(2,3,4,5-tetrafluorobenzoato-κ<i>O</i>)copper(II)] dihydrate","Acta Crystallographica Section E","2014","70","11","m365","m366","10.1107/S1600536814022065","","","0.71073","MoKα","","0.0867","0.0441","","","0.0931","0.1163","","","","","","1.012","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240073","7.8678","0.0011","20.294","0.004","11.1455","0.0018","90","","108.243","0.014","90","","1690.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-2-oxo-2<i>H</i>-chromen-7-yl ferrocenecarboxylate","","- C21 H16 Fe O4 -","- C21 H16 Fe O4 -","- C84 H64 Fe4 O16 -","4","1","","Yu, Juan; Gao, Lei-Lei; Huang, Peng; Wang, Dian-Lei","Crystal structure of 4-methyl-2-oxo-2<i>H</i>-chromen-7-yl ferrocenecarboxylate","Acta Crystallographica Section E","2014","70","11","m369","m370","10.1107/S1600536814022120","","","0.71073","MoKα","","0.0433","0.0311","","","0.0795","0.0873","","","","","","1.156","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240074","9.877","0.002","4.6915","0.001","32.603","0.006","90","","106.25","0.01","90","","1450.4","0.5","105","2","105","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","<i>DL</i>-methionine","2-Amino-4-(methylsulfanyl)butanoic acid","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C40 H88 N8 O16 S8 -","8","1","HB7289","Görbitz, Carl Henrik","Redetermined structure of β-<small>DL</small>-methionine at 105K: an example of the importance of freely refining the positions of the amino-group H atoms","Acta Crystallographica Section E","2014","70","11","341","343","10.1107/S1600536814022223","","","0.71073","MoKα","","0.0389","0.0377","","","0.0913","0.0918","","","","","","1.259","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240075","7.6006","0.0003","10.624","0.0005","15.1124","0.0007","106.116","0.002","99.996","0.002","98.266","0.002","1130.54","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2,4-Bis(2-chlorophenyl)-7-<i>tert</i>-pentyl-3-azabicyclo[3.3.1]nonan-9-one","","- C25 H29 Cl2 N O -","- C25 H29 Cl2 N O -","- C50 H58 Cl4 N2 O2 -","2","1","CV5472","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","Crystal structure of 2,4-bis(2-chlorophenyl)-7-<i>tert</i>-pentyl-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2014","70","11","o1161","o1162","10.1107/S160053681402176X","","","0.71073","MoKα","","0.057","0.0419","","","0.1063","0.1188","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240076","12.4412","0.0017","8.8472","0.0013","12.738","0.002","90","","97.069","0.008","90","","1391.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Diallyl-1,3,3a,4,7,7a-hexahydro-4,7-methano-2-benzothiophene 2,2-dioxide","","- C15 H20 O2 S -","- C15 H20 O2 S -","- C60 H80 O8 S4 -","4","1","LD2131","Kotha, Sambasivarao; Gunta, Rama","Crystal structure of 1,3-diallyl-1,3,3a,4,7,7a-hexahydro-4,7-methano-2-benzothiophene 2,2-dioxide","Acta Crystallographica Section E","2014","70","11","o1163","o1164","10.1107/S1600536814022053","","","0.71075","MoKα","","0.0818","0.0694","","","0.1339","0.1414","","","","","","1.129","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2240077","16.811","0.005","4.7281","0.0014","9.886","0.003","90","","101.95","0.007","90","","768.8","0.4","340","2","340","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>DL</i>-methionine","2-Amino-4-(methylsulfanyl)butanoic acid","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C20 H44 N4 O8 S4 -","4","1","HB7288","Görbitz, Carl Henrik; Qi, Lianglin; Mai, Ngan Thi Kim; Kristiansen, Håvard","Redetermined crystal structure of α-<small>DL</small>-methionine at 340K","Acta Crystallographica Section E","2014","70","11","337","340","10.1107/S1600536814022211","","","0.71073","MoKα","","0.0552","0.049","","","0.1241","0.1289","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240078","11.1358","0.0007","9.4756","0.0005","20.4541","0.0011","90","","92.271","0.002","90","","2156.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(2,5-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one","","- C23 H29 N O5 -","- C23 H29 N O5 -","- C92 H116 N4 O20 -","4","1","CV5470","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","Crystal structure of 2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one","Acta Crystallographica Section E","2014","70","11","o1160","","10.1107/S1600536814022041","","","0.71073","MoKα","","0.0819","0.0459","","","0.0984","0.1163","","","","","","0.981","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240079","7.686","0.016","28.346","0.007","6.297","0.012","90","","90","","90","","1372","4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(2<i>E</i>)-1-(4-Hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","","Sathya, S.; Reuben Jonathan, D.; Prathebha, K.; Jovita, J.; Usha, G.","Crystal structure of (2<i>E</i>)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","11","o1158","o1159","10.1107/S1600536814021953","","","0.71073","MoKα","","0.1206","0.0768","","","0.2133","0.2441","","","","","","1.066","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240080","15.3749","0.0006","13.1575","0.0005","19.2929","0.0009","90","","90","","90","","3902.9","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methyl-<i>N</i>-{[1-(4-methylbenzoyl)piperidin-4-yl]methyl}benzamide","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C176 H208 N16 O16 -","8","1","","Prathebha, K.; Reuben Jonathan, D.; Sathya, S.; Vasanthi, R.; Usha, G.","Crystal structure of 4-methyl-<i>N</i>-{[1-(4-methylbenzoyl)piperidin-4-yl]methyl}benzamide","Acta Crystallographica Section E","2014","70","11","o1157","","10.1107/S1600536814021965","","","0.71073","MoKα","","0.1836","0.0595","","","0.1234","0.1716","","","","","","0.925","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240081","11.6682","0.0012","13.4448","0.0015","17.071","0.002","90","","93.091","0.005","90","","2674.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4-Chlorophenyl)[2-(10-hydroxyphenanthren-9-yl)phenanthro[9,10-<i>b</i>]furan-3-yl]methanone","","- C37 H21 Cl O3 -","- C37 H21 Cl O3 -","- C148 H84 Cl4 O12 -","4","1","ZL2597","Sajitha, L. U.; Sithambaresan, M.; Jacob, Jomon P.; Kurup, M. R. Prathapachandra","Crystal structure of (4-chlorophenyl)[2-(10-hydroxyphenanthren-9-yl)phenanthro[9,10-<i>b</i>]furan-3-yl]methanone","Acta Crystallographica Section E","2014","70","11","355","358","10.1107/S1600536814022338","","","0.71073","MoKα","","0.0764","0.0464","","","0.1218","0.147","","","","","","1.011","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240082","8.6013","0.0009","9.0398","0.0009","11.5732","0.0012","90","","91.695","0.002","90","","899.47","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{2-[(2-hydroxyethyl)amino]ethanol-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}copper(II) terephthalate","","- C16 H26 Cu N2 O8 -","- C16 H26 Cu N2 O8 -","- C32 H52 Cu2 N4 O16 -","2","0.5","WM5069","Li, Ya-Ping; Sun, Dajun; Ming, Julia; Han, Liying; Su, Guan-Fang","Crystal structure of bis{2-[(2-hydroxyethyl)amino]ethanol-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}copper(II) terephthalate","Acta Crystallographica Section E","2014","70","11","m372","m373","10.1107/S1600536814022272","","","0.71073","MoKα","","0.0327","0.03","","","0.0786","0.0798","","","","","","1.078","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240083","7.5388","0.0008","7.8094","0.0008","10.247","0.0011","89.1333","0.0014","77.2754","0.0014","72.6502","0.0013","560.86","0.1","173","","173","","","","","","","","","5","P -1","-P 1","2","3-Phenyl-4-(2-bromopropionyl)sydnone","4-(2-Bromopropanoyl)-3-phenyl-1,2,3λ^5^-oxadiazol-3-ylium-5-olate","","- C11 H9 Br N2 O3 -","- C11 H9 Br N2 O3 -","- C22 H18 Br2 N4 O6 -","2","1","PK2531","Grossie, D.; Harrison, L.; Turnbull, K.","Crystal structure of 4-(2-bromopropionyl)-3-phenylsydnone","Acta Crystallographica Section E","2014","70","11","o1165","o1166","10.1107/S1600536814022260","","","0.71073","MoKα","","0.0273","0.0249","","","0.0673","0.0684","","","","","","1.057","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240084","8.5399","0.0017","10.038","0.002","13.601","0.003","97.292","0.003","94.587","0.003","110.999","0.003","1069.7","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","(2-Amino-7-methyl-4-oxidopteridine-6-carboxylato-κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) trihydrate","","- C20 H21 Cu N7 O7 -","- C20 H21 Cu N7 O7 -","- C40 H42 Cu2 N14 O14 -","2","1","","Baisya, Siddhartha S.; Roy, Parag S.","Crystal structure of (2-amino-7-methyl-4-oxidopteridine-6-carboxylato-κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) trihydrate","Acta Crystallographica Section E","2014","70","11","348","351","10.1107/S1600536814022302","","","0.71073","MoKα","","0.0589","0.0513","","","0.1328","0.1361","","","","","","1.154","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240085","18.788","0.002","8.9334","0.001","12.7969","0.0014","90","","92.667","0.002","90","","2145.5","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-2-Hydroxy-<i>N</i>'-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide","","- C10 H9 N3 O3 S -","- C10 H9 N3 O3 S -","- C80 H72 N24 O24 S8 -","8","1","HB7294","Zhang, Ya; Li, Peijuan; Fan, Xin; Jin, Longfei","Crystal structure of (<i>Z</i>)-2-hydroxy-<i>N</i>'-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide","Acta Crystallographica Section E","2014","70","11","o1167","","10.1107/S1600536814022351","","","0.71073","MoKα","","0.0433","0.0372","","","0.0992","0.1034","","","","","","0.99","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240086","13.2789","0.0012","14.6329","0.0014","24.278","0.002","90","","90","","90","","4717.4","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis{2-[bis(2-hydroxyethyl)amino]ethanol-κ^4^<i>O</i>,<i>N</i>,<i>O</i>',<i>O</i>''}cadmium terephthalate","","- C20 H34 Cd N2 O10 -","- C20 H34 Cd N2 O10 -","- C160 H272 Cd8 N16 O80 -","8","1","WM5070","Li, Ya-Ping; Han, Li-Ying; Ming, Julia; Su, Guan-Fang","Crystal structure of bis{2-[bis(2-hydroxyethyl)amino]ethanol-κ^4^<i>O</i>,<i>N</i>,<i>O</i>',<i>O</i>''}cadmium terephthalate","Acta Crystallographica Section E","2014","70","11","m371","","10.1107/S1600536814022375","","","0.71073","MoKα","","0.0828","0.0373","","","0.0801","0.0985","","","","","","0.982","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240087","8.1348","0.0003","8.6378","0.0003","10.835","0.0004","86.063","0.001","82.088","0.001","66.408","0.001","690.99","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","2-(3-Fluorophenyl)-5-iodo-3-methylsulfinyl-1-benzofuran","","- C15 H10 F I O2 S -","- C15 H10 F I O2 S -","- C30 H20 F2 I2 O4 S2 -","2","1","QM2109","Choi, Hong Dae; Lee, Uk","Crystal structure of 2-(3-fluorophenyl)-5-iodo-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2014","70","11","o1169","","10.1107/S1600536814022569","","","0.71073","MoKα","","0.024","0.0213","","","0.0525","0.0537","","","","","","1.05","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240088","8.4826","0.0002","16.6307","0.0004","9.7493","0.0002","90","","113.756","0.001","90","","1258.81","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Fluoro-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C15 H10 F2 O2 S -","- C15 H10 F2 O2 S -","- C60 H40 F8 O8 S4 -","4","1","FY2119","Choi, Hong Dae; Lee, Uk","Crystal structure of 5-fluoro-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2014","70","11","o1168","","10.1107/S160053681402251X","","","0.71073","MoKα","","0.0417","0.0363","","","0.0945","0.0982","","","","","","1.032","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240089","6.4316","0.0007","24.263","0.003","10.0829","0.0013","90","","105.604","0.009","90","","1515.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>R</i>)-6'-Bromo-3,3-dimethyl-3',4'-dihydro-2'<i>H</i>-spiro[cyclohexane-\ 1,3'-1,2,4-benzothiadiazine] 1',1'-dioxide","","- C14 H19 Br N2 O2 S -","- C14 H19 Br N2 O2 S -","- C56 H76 Br4 N8 O8 S4 -","4","1","","Shinoj Kumar, P. P.; Suchetan, P. A.; Sreenivasa, S.; Naveen, S.; Lokanath, N. K.; Aruna Kumar, D. B.","Crystal structure of (<i>R</i>)-6'-bromo-3,3-dimethyl-3',4'-dihydro-2'<i>H</i>-spiro[cyclohexane-1,3'-1,2,4-benzothiadiazine] 1',1'-dioxide","Acta Crystallographica Section E","2014","70","11","359","361","10.1107/S1600536814022417","","","1.54178","CuKα","","0.0725","0.0494","","","0.1362","0.1537","","","","","","0.942","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240090","8.964","0.002","27.074","0.007","9.721","0.002","90","","102.054","0.019","90","","2307.2","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chlorido(η^2^-phenyl isothiocyanate-κ^2^<i>C</i>,<i>S</i>)-<i>mer</i>-tris(trimethylphosphane-κ<i>P</i>)iridium(I)","","- C16 H32 Cl Ir N P3 S -","- C16 H32 Cl Ir N P3 S -","- C64 H128 Cl4 Ir4 N4 P12 S4 -","4","1","ZL2576","Merola, Joseph S.; Grieb, Arthur W.","Crystal structure of chlorido(η^2^-phenyl isothiocyanate-κ^2^<i>C</i>,<i>S</i>)-<i>mer</i>-tris(trimethylphosphane-κ<i>P</i>)iridium(I)","Acta Crystallographica Section E","2014","70","11","352","354","10.1107/S160053681402162X","","","0.71073","MoKα","","0.0405","0.0312","","","0.0787","0.0802","","","","","","0.928","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240091","10.2103","0.0003","10.7643","0.0004","11.6942","0.0004","101.074","0.001","106.726","0.001","115.058","0.001","1039.46","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-4-(4-bromophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","","- C25 H24 Br N3 -","- C25 H24 Br N3 -","- C50 H48 Br2 N6 -","2","1","HB7284","Nagalakshmi, R. A.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Isotypic crystal structures of 1-benzyl-4-(4-bromophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile and 1-benzyl-4-(4-fluorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","11","344","347","10.1107/S1600536814022016","","","0.71073","MoKα","","0.048","0.039","","","0.1009","0.1071","","","","","","1.028","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240092","10.137","0.0004","10.2078","0.0003","11.8238","0.0004","109.688","0.002","100.309","0.002","111.42","0.002","1006.73","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-4-(4-fluorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","","- C25 H24 F N3 -","- C25 H24 F N3 -","- C50 H48 F2 N6 -","2","1","HB7284","Nagalakshmi, R. A.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Isotypic crystal structures of 1-benzyl-4-(4-bromophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile and 1-benzyl-4-(4-fluorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","11","344","347","10.1107/S1600536814022016","","","0.71073","MoKα","","0.0572","0.0393","","","0.0953","0.1085","","","","","","1.045","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240093","7.4573","0.0005","7.8381","0.0006","11.3111","0.0009","85.525","0.006","86.634","0.006","69.545","0.007","617.22","0.08","170.1","0.2","170.1","0.2","","","","","","","","5","P -1","-P 1","2","","4,4'-(Ethene-1,2-diyl)dipyridinium bis(3-carboxybenzenesulfonate)","","- C26 H22 N2 O10 S2 -","- C26 H22 N2 O10 S2 -","- C26 H22 N2 O10 S2 -","1","0.5","HB7296","Wu, Jing; Zhu, Long-Guan","Crystal structure of 4,4'-(ethene-1,2-diyl)dipyridinium bis(3-carboxybenzenesulfonate)","Acta Crystallographica Section E","2014","70","11","o1170","","10.1107/S1600536814022673","","","0.71073","MoKα","","0.0427","0.0356","","","0.088","0.0955","","","","","","0.982","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240094","7.8006","0.0003","17.9581","0.0007","10.1032","0.0004","90","","99.664","0.004","90","","1395.21","0.1","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,6-Diallyltetracyclo[6.3.0.0^4,11^.0^5,9^]undeca-2,7-dione","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","SU5002","Kotha, Sambasivarao; Seema, Vital; Deodhar, Deepak; Shaikh, Mobin","Crystal structures of 3,6-diallyltetracyclo[6.3.0.0^4,11^.0^5,9^]undeca-2,7-dione and 1,7-diallylpentacyclo[5.4.0.0^2,6^. 0^3,10^.0^5,9^]undecane-8,11-dione: allylated caged compounds","Acta Crystallographica Section E","2014","70","11","410","414","10.1107/S1600536814023149","","","0.71073","MoKα","","0.044","0.0352","","","0.0961","0.0987","","","","","","1.055","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2240095","8.7041","0.0005","18.3992","0.0009","9.0906","0.0006","90","","113.043","0.007","90","","1339.69","0.15","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,7-Diallylpentacyclo[5.4.0.0^2,6^. 0^3,10^.0^5,9^]undecane-8,11-dione","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","SU5002","Kotha, Sambasivarao; Seema, Vital; Deodhar, Deepak; Shaikh, Mobin","Crystal structures of 3,6-diallyltetracyclo[6.3.0.0^4,11^.0^5,9^]undeca-2,7-dione and 1,7-diallylpentacyclo[5.4.0.0^2,6^. 0^3,10^.0^5,9^]undecane-8,11-dione: allylated caged compounds","Acta Crystallographica Section E","2014","70","11","410","414","10.1107/S1600536814023149","","","0.71073","MoKα","","0.0824","0.0593","","","0.1774","0.188","","","","","","1.096","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2240096","16.7338","0.0004","8.0646","0.0002","21.8195","0.0006","90","","95.296","0.001","90","","2932","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dimethyl-3-(2-methylphenylsulfonyl)-1-benzofuran","","- C17 H16 O3 S -","- C17 H16 O3 S -","- C136 H128 O24 S8 -","8","2","SU5004","Choi, Hong Dae; Lee, Uk","Crystal structure of 2,5-dimethyl-3-(2-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","11","o1181","o1182","10.1107/S1600536814022788","","","0.71073","MoKα","","0.0568","0.0426","","","0.1089","0.1184","","","","","","1.04","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240097","12.1518","0.0013","6.8308","0.0007","19.9613","0.0019","90","","93.005","0.006","90","","1654.6","0.3","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,1'-Bis[1,7-dicarba-<i>closo</i>-dodecaborane(11)]","","- C4 H22 B20 -","- C4 H22 B20 -","- C16 H88 B80 -","4","0.5","HB7290","Elrick, Lisa; Rosair, Georgina M.; Welch, Alan J.","Crystal structure of 1,1'-bis[1,7-dicarba-<i>closo</i>-dodecaborane(11)]","Acta Crystallographica Section E","2014","70","11","376","378","10.1107/S1600536814022132","","","0.71073","MoKa","","0.069","0.0447","","","0.1162","0.1299","","","","","","1.039","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240098","6.7983","0.0017","8.515","0.002","11.012","0.003","108.784","0.008","98.026","0.007","98.742","0.007","584.3","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","2,5-Dimethylanilinium hydrogen maleate","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C24 H30 N2 O8 -","2","1","","Mathlouthi, Maha; Janzen, Daron E.; Rzaigui, Mohamed; Smirani Sta, Wajda","Crystal structure of 2,5-dimethylanilinium hydrogen maleate","Acta Crystallographica Section E","2014","70","11","o1183","o1184","10.1107/S160053681402282X","","","0.71075","MoKα","","","0.0421","","","","0.1081","","","","","","1.06","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240099","21.2425","0.0009","5.6341","0.0001","16.5372","0.0006","90","","119.141","0.005","90","","1728.69","0.13","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Isobutylammonium hydrogen oxalate hemihydrate","","- C6 H14 N O4.5 -","- C6 H14 N O4.5 -","- C48 H112 N8 O36 -","8","1","HB7298","Dziuk, Błażej; Zarychta, Bartosz; Ejsmont, Krzysztof","Crystal structure of isobutylammonium hydrogen oxalate hemihydrate","Acta Crystallographica Section E","2014","70","11","o1175","","10.1107/S1600536814022697","","","0.71073","MoKα","","0.0377","0.0279","","","0.0682","0.0701","","","","","","1.034","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2240100","7.4797","0.0004","15.2458","0.0007","12.782","0.0006","90","","94.282","0.003","90","","1453.51","0.12","99","2","99","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[(1<i>E</i>)-1-(6-Methyl-2,4-dioxo-3,4-dihydro-2<i>H</i>-pyran-3-ylidene)ethyl]benzenesulfonohydrazide","","- C14 H14 N2 O5 S -","- C14 H14 N2 O5 S -","- C56 H56 N8 O20 S4 -","4","1","WM5072","Asegbeloyin, Jonnie N.; Ujam, Oguejiofo T.; Ngige, Chizoba M.; Onwukeme, Valentine I.; Groutso, Tania","Crystal structure of <i>N</i>'-[(1<i>E</i>)-1-(6-methyl-2,4-dioxo-3,4-dihydro-2<i>H</i>-pyran-3-ylidene)ethyl]benzenesulfonohydrazide","Acta Crystallographica Section E","2014","70","11","o1179","o1180","10.1107/S1600536814022648","","","0.71073","MoKα","","0.0557","0.0429","","","0.1164","0.126","","","","","","1.049","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240101","8.9363","0.0006","13.237","0.0008","16.481","0.0014","90","","90","","90","","1949.5","0.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(dimethylammonium) hexaaquanickel(II) bis(sulfate) dihydrate","","- C4 H32 N2 Ni O16 S2 -","- C4 H32 N2 Ni O16 S2 -","- C16 H128 N8 Ni4 O64 S8 -","4","0.5","WM5074","Held, Peter","Crystal structure of bis(dimethylammonium) hexaaquanickel(II) bis(sulfate) dihydrate","Acta Crystallographica Section E","2014","70","11","403","405","10.1107/S160053681402234X","","","0.71073","MoKα","","0.1164","0.0402","","","0.0907","0.1232","","","","","","1.074","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240102","17.7108","0.0008","5.1411","0.0002","15.9065","0.0006","90","","94.706","0.003","90","","1443.45","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[(<i>E</i>)-2-(4-Phenyl-1,3-thiazol-2-yl)hydrazin-1-ylidene]indolin-2-one","","- C17 H12 N4 O S -","- C17 H12 N4 O S -","- C68 H48 N16 O4 S4 -","4","1","LH5732","Halasangi, Bhimashankar M.; Badami, Prema S.; Patil, Sangamesh A.; Anil Kumar, G. N.","Crystal structure of 3-[(<i>E</i>)-2-(4-phenyl-1,3-thiazol-2-yl)hydrazin-1-ylidene]indolin-2-one","Acta Crystallographica Section E","2014","70","11","o1177","o1178","10.1107/S1600536814022715","","","0.71073","MoKα","","0.0766","0.0461","","","","0.1085","","","","","","1.085","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240103","7.4698","0.0003","9.1436","0.0003","12.6085","0.0004","107.147","0.002","99.941","0.002","105.331","0.002","763.71","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6-(chloromethyl)-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C14 H14 Cl2 N2 O3 -","- C14 H14 Cl2 N2 O3 -","- C28 H28 Cl4 N4 O6 -","2","1","SU5005","Bharanidharan, S.; Saleem, H.; Gunasekaran, B.; Padusha, M. Syed Ali; Suresh, M.","Crystal structure of ethyl 6-(chloromethyl)-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2014","70","11","o1185","o1186","10.1107/S1600536814023046","","","0.71073","MoKα","","0.0783","0.0535","","","0.1321","0.1534","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2240104","10.0644","0.0011","16.6082","0.0017","10.7107","0.0015","90","","98.48","0.01","90","","1770.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Bis(2,6-diisopropylphenyl)-4,5-dimethyl-1<i>H</i>-imidazol-3-ium bromide dichloromethane disolvate","","- C31 H45 Br Cl4 N2 -","- C31 H45 Br Cl4 N2 -","- C62 H90 Br2 Cl8 N4 -","2","0.5","HB7303","Berger, Matthias; Auner, Norbert; Bolte, Michael","Crystal structure of 1,3-bis(2,6-diisopropylphenyl)-4,5-dimethyl-1<i>H</i>-imidazol-3-ium bromide dichloromethane disolvate","Acta Crystallographica Section E","2014","70","11","o1193","o1194","10.1107/S1600536814023150","","","0.71073","MoKα","","0.1802","0.1631","","","0.3826","0.3929","","","","","","1.116","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240105","13.7529","0.0006","10.8437","0.0005","19.5795","0.0009","90","","99.826","0.001","90","","2877.1","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[silver(I)-<i>μ</i>-<i>N</i>-(pyridin-2-ylmethyl)\ pyridine-3-amine-κ^2^<i>N</i>:<i>N</i>'] trifluoromethanesulfonate]","","- C12 H11 Ag F3 N3 O3 S -","- C12 H11 Ag F3 N3 O3 S -","- C96 H88 Ag8 F24 N24 O24 S8 -","8","2","","Moon, Suk-Hee; Cho, Seonghwa; Park, Ki-Min","Crystal structure of <i>catena</i>-poly[[silver(I)-<i>{μ</i>}-<i>N</i>-(pyridin-2-ylmethyl)pyridine-3-amine-κ^2^<i>N</i>:<i>N</i>'] trifluoromethanesulfonate]","Acta Crystallographica Section E","2014","70","11","389","391","10.1107/S1600536814022922","","","0.71073","MoKα","","0.062","0.039","","","0.0823","0.0931","","","","","","1.06","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240106","9.3307","0.0001","10.6773","0.0002","12.8129","0.0002","72.46","0.001","82.307","0.001","65.495","0.001","1107.46","0.03","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","(3-Carboxypropyl)triphenylphosphonium hexafluoridophosphate","","- C22 H22 F6 O2 P2 -","- C22 H22 F6 O2 P2 -","- C44 H44 F12 O4 P4 -","2","1","HB7304","Hillesheim, Patrick C.; Scipione, Kent A.; Stokes, Sean L.","Crystal structure of (3-carboxypropyl)triphenylphosphonium hexafluoridophosphate","Acta Crystallographica Section E","2014","70","11","o1197","o1198","10.1107/S160053681402323X","","","0.71073","MoKα","","0.0419","0.0339","","","0.0814","0.0865","","","","","","1.062","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240107","15.268","0.003","7.8053","0.0016","14.729","0.003","90","","102.097","0.003","90","","1716.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Bis(1,3-dioxoisoindolin-1-yl)urea dihydrate","","- C17 H14 N4 O7 -","- C17 H14 N4 O7 -","- C68 H56 N16 O28 -","4","0.5","","Medrano, Felipe; Lujano, Sergio; Godoy-Alcántar, Carolina; Tlahuext, Hugo","Crystal structure of 1,3-bis(1,3-dioxoisoindolin-1-yl)urea dihydrate: a urea-based anion receptor","Acta Crystallographica Section E","2014","70","11","373","375","10.1107/S1600536814022144","","","0.71073","MoKα","","0.0558","0.0522","","","0.1279","0.1304","","","","","","1.116","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240108","11.3545","0.0003","18.1097","0.0005","10.4689","0.0003","90","","100.119","0.002","90","","2119.2","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-5,5-dimethyl-2-[(<i>E</i>)-2-nitroethenyl]cyclohex-2-en-1-one","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C80 H112 N16 O24 -","8","2","","Vigante, Brigita; Stepanovs, Dmitrijs; Pelss, Andrejs; Mishnev, Anatoly","Crystal structure of 3-amino-5,5-dimethyl-2-[(<i>E</i>)-2-nitroethenyl]cyclohex-2-en-1-one","Acta Crystallographica Section E","2014","70","11","379","381","10.1107/S1600536814023009","","","0.71073","MoKα","","0.1537","0.0689","","","0.1286","0.1577","","","","","","1.01","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240109","5.36167","0.00008","9.01474","0.00014","9.78623","0.00017","90","","102.814","0.0016","90","","461.228","0.013","140","2","140","1","","","","","","","","5","P 1 21 1","P 2yb","4","Potassium (1<i>R</i>)-<i>D</i>-ribit-1-ylsulfonate","Potassium (1<i>R</i>,2<i>R</i>,3<i>R</i>,4<i>R</i>)-1,2,3,4,5-pentahydroxypentane-1-sulfonate","","- C5 H11 K O8 S -","- C5 H11 K O8 S -","- C10 H22 K2 O16 S2 -","2","1","","Haines, Alan H.; Hughes, David L.","Crystal structure of potassium (1<i>R</i>)-<small>D</small>-ribit-1-ylsulfonate","Acta Crystallographica Section E","2014","70","11","406","409","10.1107/S1600536814022685","","","0.71073","Mo-Kα","","0.0215","0.0207","","","0.052","0.0525","","","","","","1.046","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240110","11.074","0.002","11.585","0.002","12.898","0.003","114.09","0.03","106.68","0.03","99.2","0.03","1372.5","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3,3'-[(3-Nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol monosolvate","","- C29 H27 N3 O7 -","- C29 H27 N3 O7 -","- C58 H54 N6 O14 -","2","1","XU5823","Sun, Hong-Shun; Li, Yu-Long; Jiang, Hong; Xu, Ning; Xu, Hong","Crystal structure of dimethyl 3,3'-[(3-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol monosolvate","Acta Crystallographica Section E","2014","70","11","370","372","10.1107/S1600536814022296","","","0.71073","MoKα","","0.0998","0.0589","","","0.1432","0.1655","","","","","","1.042","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240111","7.8278","0.0008","9.8931","0.001","11.3929","0.0013","69.307","0.003","73.561","0.003","81.375","0.003","790.39","0.15","296","","296","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-[(<i>E</i>)-3-(4-Methoxyphenyl)allylidene]naphthalen-1-amine","","- C20 H17 N O -","- C20 H17 N O -","- C40 H34 N2 O2 -","2","1","","Lee, Jae Kyun; Cha, Joo Hwan; Cho, Yong Seo; Min, Sun-Joon; Lee, Joon Kyun","Crystal structure of (<i>E</i>)-<i>N</i>-[(<i>E</i>)-3-(4-methoxyphenyl)allylidene]naphthalen-1-amine","Acta Crystallographica Section E","2014","70","11","o1174","","10.1107/S1600536814022521","","","0.71075","MoKα","","","0.0377","","","","0.1188","","","","","","0.992","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240112","18.5564","0.0006","18.5564","0.0006","10.1139","0.0004","90","","90","","90","","3482.6","0.2","100","","100","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Ammonium 3'-azido-3'-deoxythymidine-5'-aminocarbonylphosphonate hemihydrate","","- C11 H19 N7 O7.5 P -","- C11 H19 N7 O7.5 P -","- C88 H152 N56 O60 P8 -","8","1","SU2792","Jasko, Maxim V.; Gurskaya, Galina V.; Kukhanova, Marina K.; Bushmarinov, Ivan S.","Crystal structure of ammonium 3'-azido-3'-deoxythymidine-5'-aminocarbonylphosphonate hemihydrate: an anti-HIV agent","Acta Crystallographica Section E","2014","70","11","396","399","10.1107/S1600536814022405","","","0.71073","MoKα","","0.0395","0.0324","","","0.0756","0.0793","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2240113","11.969","0.002","18.725","0.003","16.894","0.003","90","","97.233","0.003","90","","3756.1","1.1","296.15","","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido[2-(1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)imidazolido-κ<i>N</i>]bis(tri-<i>n</i>-butylphosphane-κ<i>P</i>)rhodium(III)","","- C30 H59 Cl2 N4 P2 Rh -","- C30 H59 Cl2 N4 P2 Rh -","- C120 H236 Cl8 N16 P8 Rh4 -","4","1","FF2131","Jin-Long; Ebihara, Masahiro","Crystal structure of dichlorido[2-(1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)imidazolato-κ<i>N</i>]bis(tri-<i>n</i>-butylphosphane-κ<i>P</i>)rhodium(III)","Acta Crystallographica Section E","2014","70","11","362","364","10.1107/S1600536814022454","","","0.71075","MoKα","","0.0431","0.0385","","","0.0962","0.1002","","","","","","1.12","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240114","7.6309","0.0013","17.102","0.003","15.395","0.002","90","","93.886","0.005","90","","2004.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[2,4-Bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-3-yl]ethanone","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","1","","Shreevidhyaa Suressh, V.; Sathya, S.; Akila, A.; Ponnuswamy, S.; Usha, G.","Crystal structure of 1-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-3-yl]ethanone","Acta Crystallographica Section E","2014","70","11","o1171","o1172","10.1107/S1600536814022545","","","0.71073","MoKα","","0.1211","0.0648","","","0.2003","0.2673","","","","","","0.855","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240115","19.5521","0.0007","5.3649","0.0002","18.5142","0.0006","90","","101.816","0.002","90","","1900.9","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-({[(Morpholin-4-yl)carbonothioyl]sulfanyl}acetyl)phenyl benzoate","","- C20 H19 N O4 S2 -","- C20 H19 N O4 S2 -","- C80 H76 N4 O16 S8 -","4","1","HG5411","Ambekar, Sachin P.; Mahesh Kumar, K.; Shirahatti, Arun Kumar M.; Kotresh, O.; Anil Kumar, G. N.","Crystal structure of 3-({[(morpholin-4-yl)carbonothioyl]sulfanyl}acetyl)phenyl benzoate","Acta Crystallographica Section E","2014","70","11","400","402","10.1107/S1600536814023265","","","0.71073","MoKα","","0.0595","0.0423","","","","0.1222","","","","","","1.063","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240116","26.6396","0.0013","12.9853","0.0006","23.2326","0.0011","90","","108.696","0.001","90","","7612.6","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~3~-4,4'-(4,4'-bipyridine-2,6-diyl)dibenzoato]{μ~2~-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-4'-ium-2-yl]benzoato}manganese(II)] hemihydrate]","","- C96 H62 Mn2 N8 O17 -","- C96 H62 Mn2 N8 O17 -","- C384 H248 Mn8 N32 O68 -","4","0.5","","Li, Yaping; Sun, Dajun; Ming, Julia; Han, Liying; Su, Guanfang","Crystal structure of poly[[μ~3~-4,4'-(4,4'-bipyridine-2,6-diyl)dibenzoato]{μ~2~-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-4'-ium-2-yl]benzoato}manganese(II)] hemihydrate]","Acta Crystallographica Section E","2014","70","11","m374","m375","10.1107/S160053681402279X","","","0.71073","MoKα","","0.0856","0.0606","","","0.166","0.1841","","","","","","1.077","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240117","13.743","0.003","38.302","0.007","6.2686","0.0011","90","","90","","90","","3299.7","1.1","297","2","297","2","","","","","","","","4","F d d 2","F 2 -2d","43","","4-(Ammoniomethyl)benzoate","","- C8 H11 N O3 -","- C8 H9 N O3 -","- C128 H144 N16 O48 -","16","1","SJ5430","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Crystal structure of zwitterionic 4-(ammoniomethyl)benzoate: a simple molecule giving rise to a complex supramolecular structure","Acta Crystallographica Section E","2014","70","11","385","388","10.1107/S1600536814022831","","","0.71073","MoKα","","0.0541","0.0464","","","0.1291","0.1371","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240118","9.1567","0.0013","10.2951","0.0015","22.494","0.003","90","","90","","90","","2120.5","0.5","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","wwb04","(<i>R</i>~S~)-<i>N</i>-[(1<i>R</i>,2<i>S</i>)-2-Benzyloxy-1-(2,6-dimethylphenyl)propyl]-2-methylpropane-2-sulfinamide","","- C22 H31 N O2 S -","- C22 H31 N O2 S -","- C88 H124 N4 O8 S4 -","4","1","SU2794","Carbone, Matthew R.; Centola, Garrick A.; Haas, Adam; McClelland, Kevin P.; Moskowitz, Michael D.; Verderame, Angelo M.; Olezeski, Mikael S.; Papa, Louis J.; Dorn, Stephanie C. M.; Brennessel, William W.; Weix, Daniel J.","Crystal structures of (<i>R</i>~S~)-<i>N</i>-[(1<i>R</i>,2<i>S</i>)-2-benzyloxy-1-(2,6-dimethylphenyl)propyl]-2-methylpropane-2-sulfinamide and (<i>R</i>~S~)-<i>N</i>-[(1<i>S</i>,2<i>R</i>)-2-benzyloxy-1-(2,4,6-trimethylphenyl)propyl]-2-methylpropane-2-sulfinamide: two related protected 1,2-amino alcohols","Acta Crystallographica Section E","2014","70","11","365","369","10.1107/S1600536814022570","","","0.71073","MoKα","","0.0478","0.0391","","","0.092","0.096","","","","","","1.09","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240119","10.535","0.003","7.984","0.002","13.481","0.004","90","","103.519","0.005","90","","1102.5","0.5","100","0.5","100","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","wwb03","(<i>R</i>~S~)-<i>N</i>-[(1<i>S</i>,2<i>R</i>)-2-Benzyloxy-1-(2,4,6-trimethylphenyl)propyl]-2-methylpropane-2-sulfinamide","","- C23 H33 N O2 S -","- C23 H33 N O2 S -","- C46 H66 N2 O4 S2 -","2","1","SU2794","Carbone, Matthew R.; Centola, Garrick A.; Haas, Adam; McClelland, Kevin P.; Moskowitz, Michael D.; Verderame, Angelo M.; Olezeski, Mikael S.; Papa, Louis J.; Dorn, Stephanie C. M.; Brennessel, William W.; Weix, Daniel J.","Crystal structures of (<i>R</i>~S~)-<i>N</i>-[(1<i>R</i>,2<i>S</i>)-2-benzyloxy-1-(2,6-dimethylphenyl)propyl]-2-methylpropane-2-sulfinamide and (<i>R</i>~S~)-<i>N</i>-[(1<i>S</i>,2<i>R</i>)-2-benzyloxy-1-(2,4,6-trimethylphenyl)propyl]-2-methylpropane-2-sulfinamide: two related protected 1,2-amino alcohols","Acta Crystallographica Section E","2014","70","11","365","369","10.1107/S1600536814022570","","","0.71073","MoKα","","0.0816","0.0554","","","0.1127","0.1255","","","","","","1.014","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240120","6.0014","0.0004","13.9015","0.0016","28.867","0.003","90","","90","","90","","2408.3","0.4","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","<i>N</i>-[(<i>E</i>)-(1,3-Benzodioxol-5-yl)methylidene]-4-chloroaniline","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","1","HB7302","García-Merinos, J. Pablo; López, Yliana; González-Campos, J. Betzabe; Aviña-Verduzco, Judit A.; Río, Rosa E. del; Santillan, Rosa","Crystal structure of <i>N</i>-[(<i>E</i>)-(1,3-benzodioxol-5-yl)methylidene]-4-chloroaniline","Acta Crystallographica Section E","2014","70","11","o1195","o1196","10.1107/S1600536814022892","","","0.71073","MoKα","","0.201","0.0581","","","0.0933","0.1208","","","","","","0.883","","","","has coordinates,has disorder,has Fobs","194623","2020-10-21","18:00:00",""
"2240121","6.111","0.0006","10.0547","0.0011","21.497","0.002","90","","90","","90","","1320.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-<i>N</i>-Methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide","","- C14 H11 N3 O S -","- C14 H11 N3 O S -","- C56 H44 N12 O4 S4 -","4","1","SU2796","Vimala, G.; Govindaraj, J.; Haribabu, J.; Karvembu, R.; SubbiahPandi, A.","Crystal structure of (2<i>E</i>)-<i>N</i>-methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","11","415","417","10.1107/S1600536814023216","","","0.71073","MoKα","","0.0547","0.0354","","","0.0877","0.0997","","","","","","0.986","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240122","25.6913","0.0013","10.022","0.0004","14.6417","0.0006","90","","93.439","0.004","90","","3763.1","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-({2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1<i>H</i>-1,2,4-triazole","","- C19 H17 Cl2 N3 O3 -","- C19 H17 Cl2 N3 O3 -","- C152 H136 Cl16 N24 O24 -","8","1","HG5412","Cho, Seonghwa; Kang, Gihaeng; Lee, Sangjin; Kim, Tae Ho","Crystal structure of difenoconazole","Acta Crystallographica Section E","2014","70","11","o1173","","10.1107/S1600536814022429","","","0.71073","MoKα","","0.066","0.0585","","","0.1545","0.1604","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240123","11.8983","0.0002","8.186","0.0001","18.4582","0.0003","90","","105.505","0.0007","90","","1732.39","0.05","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(Benzo[<i>b</i>]thiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2<i>H</i>-1,2,3-triazole","","- C19 H17 N3 O3 S -","- C19 H17 N3 O3 S -","- C76 H68 N12 O12 S4 -","4","1","HG5414","Penthala, Narsimha Reddy; Madadi, Nikhil Reddy; Bommagani, Shobanbabu; Parkin, Sean; Crooks, Peter A.","Comparison of crystal structures of 4-(benzo[<i>b</i>]thiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2<i>H</i>-1,2,3-triazole and 4-(benzo[<i>b</i>]thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyphenyl)-2<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2014","70","11","392","395","10.1107/S1600536814023095","","","0.71073","MoKα","","0.0611","0.044","","","0.1129","0.124","","","","","","1.072","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240124","8.8579","0.0001","11.0761","0.0001","11.2626","0.0001","106.859","0.004","111.668","0.005","105.498","0.004","891.51","0.07","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","4-(Benzo[<i>b</i>]thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyphenyl)-2<i>H</i>-1,2,3-triazole","","- C20 H19 N3 O3 S -","- C20 H19 N3 O3 S -","- C40 H38 N6 O6 S2 -","2","1","HG5414","Penthala, Narsimha Reddy; Madadi, Nikhil Reddy; Bommagani, Shobanbabu; Parkin, Sean; Crooks, Peter A.","Comparison of crystal structures of 4-(benzo[<i>b</i>]thiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2<i>H</i>-1,2,3-triazole and 4-(benzo[<i>b</i>]thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyphenyl)-2<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2014","70","11","392","395","10.1107/S1600536814023095","","","0.71073","MoKα","","0.0433","0.0367","","","0.0913","0.0957","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240125","38.821","0.005","20.9","0.005","7.172","0.005","90","","90","","90","","5819","4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","<i>N</i>,<i>N</i>-Diethylbenzene-1,4-diaminium dinitrate","","- C10 H18 N4 O6 -","- C10 H18 N4 O6 -","- C160 H288 N64 O96 -","16","1","SU5003","Bouaoud, Yasmina; Smith, Graham; Merazig, Hocine; Setifi, Zouaoui","Crystal structure of <i>N</i>,<i>N</i>-diethylbenzene-1,4-diaminium dinitrate","Acta Crystallographica Section E","2014","70","11","o1191","o1192","10.1107/S1600536814022946","","","0.71073","MoKα","","0.0584","0.043","","","0.1016","0.1106","","","","","","1.034","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240126","21.341","0.003","5.3728","0.0004","19.94","0.003","90","","98.291","0.01","90","","2262.4","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2-Diphenylhydrazinium chloride","","- C12 H13 Cl N2 -","- C12 H13 Cl N2 -","- C96 H104 Cl8 N16 -","8","1","LH5735","Paul, Amit Kumal; Mukherjee, Soma; Stoeckli-Evans, Helen","Crystal structure of 2,2-diphenylhydrazinium chloride","Acta Crystallographica Section E","2014","70","11","382","384","10.1107/S1600536814022879","","","0.71073","MoKα","","0.0738","0.0565","","","0.1365","0.1413","","","","","","0.93","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240127","8.2176","0.0007","8.0468","0.0006","22.2439","0.0018","90","","98.107","0.004","90","","1456.2","0.2","94","2","94","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Tosyl-1,2,3,4-tetrahydroquinoline","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","HB7292","Jeyaseelan, S.; Asha, K.V.; Venkateshappa, G.; Raghavendrakumar, P.; Palakshamurthy, B.S.","Crystal structure of 1-tosyl-1,2,3,4-tetrahydroquinoline","Acta Crystallographica Section E","2014","70","11","o1176","","10.1107/S1600536814022181","","","0.71073","MoKα","","0.043","0.0387","","","0.0983","0.1009","","","","","","1.094","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240128","7.3637","0.0002","8.1589","0.0002","8.3966","0.0002","62.355","0.001","67.291","0.002","88.386","0.002","405.14","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(5-Methylimidazo[1,2-<i>a</i>]pyridin-2-yl)methanol","","- C9 H10 N2 O -","- C9 H10 N2 O -","- C18 H20 N4 O2 -","2","1","SU5007","Elaatiaoui, Abdelmalik; Koudad, Mohammed; Saddik, Rafik; Benchat, Noureddine; El Ammari, Lahcen","Crystal structure of (5-methylimidazo[1,2-<i>a</i>]pyridin-2-yl)methanol","Acta Crystallographica Section E","2014","70","11","o1189","o1190","10.1107/S1600536814023022","","","0.71073","MoKα","","0.0474","0.0428","","","0.1178","0.1231","","","","","","1.038","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240129","6.449","0.003","8.67","0.005","11.051","0.006","106.581","0.008","101.466","0.009","93.692","0.004","575.5","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(2-Hydroxyethyl)-5-nitroisophthalamic acid monohydrate","","- C10 H12 N2 O7 -","- C10 H12 N2 O7 -","- C20 H24 N4 O14 -","2","1","XU5826","Zou, Pei; Wang, Hong-Yong; Luo, Shi-Neng; Liu, Ya-Ling; Shen, Yong-Jia","Crystal structure of <i>N</i>-(2-hydroxyethyl)-5-nitroisophthalamic acid monohydrate","Acta Crystallographica Section E","2014","70","11","o1205","o1206","10.1107/S160053681402337X","","","0.71073","MoKα","","0.0608","0.042","","","0.1003","0.11","","","","","","1","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240130","6.8096","0.0005","17.6403","0.0015","29.3604","0.0019","90","","90","","90","","3526.9","0.5","200","1","200","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nicotinium 3,5-dinitrosalicylate","(1<i>R</i>,2<i>S</i>)-1-Methyl-2-(pyridin-3-yl)pyrrolidin-1-ium 2-carboxy-4,6-dinitrophenolate","","- C17 H18 N4 O7 -","- C17 H18 N4 O7 -","- C136 H144 N32 O56 -","8","2","LH5736","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the proton-transfer salts of nicotine with 3,5-dinitrosalicylic acid and 5-sulfosalicylic acid","Acta Crystallographica Section E","2014","70","11","430","434","10.1107/S1600536814023253","","","0.71073","MoKα","","0.1139","0.0723","","","0.1066","0.1224","","","","","","1.065","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240131","7.1568","0.0003","12.6416","0.0005","19.1519","0.0008","90","","93.729","0.004","90","","1729.07","0.12","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","nicotinium 5-sulfosalicylate","(1<i>R</i>,2<i>S</i>)-1-Methyl-2-(pyridin-3-yl)pyrrolidin-1-ium 3-carboxy-4-hydroxybenzenesulfonate","","- C17 H20 N2 O6 S -","- C17 H20 N2 O6 S -","- C68 H80 N8 O24 S4 -","4","2","LH5736","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the proton-transfer salts of nicotine with 3,5-dinitrosalicylic acid and 5-sulfosalicylic acid","Acta Crystallographica Section E","2014","70","11","430","434","10.1107/S1600536814023253","","","0.71073","MoKα","","0.056","0.0457","","","0.1008","0.1079","","","","","","1.012","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240132","12.9597","0.0004","8.8616","0.0002","28.5426","0.0007","90","","90","","90","","3277.94","0.15","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","{2,2'-[Ethylenebis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}oxidovanadium(IV) methanol monosolvate","","- C17 H18 N2 O4 V -","- C17 H18 N2 O4 V -","- C136 H144 N16 O32 V8 -","8","2","GG2143","Hsuan, Rachel E.; Hughes, Jemma E.; Miller, Thomas H.; Shaikh, Nabila; Cunningham, Phoebe H. M.; O'Connor, Alice E.; Tidey, Jeremiah P.; Blake, Alexander J.","Crystal structure of {2,2'-[ethylenebis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}oxidovanadium(IV) methanol monosolvate","Acta Crystallographica Section E","2014","70","11","m380","m381","10.1107/S1600536814023332","","","1.54184","CuKα","","0.0401","0.0368","","","0.1","0.105","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240133","16.367","0.0004","10.5512","0.0003","16.6153","0.0004","90","","90","","90","","2869.32","0.13","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-3-(3-Ethoxy-4-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C17 H16 O4 -","- C17 H16 O4 -","- C136 H128 O32 -","8","1","","Vasanthi, R.; Reuben Jonathan, D.; Elizhlarasi, K. S.; Revathi, B. K.; Usha, G.","Crystal structure of (2<i>E</i>)-3-(3-ethoxy-4-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","11","o1202","o1203","10.1107/S1600536814023368","","","0.71073","MoKα","","0.0756","0.0575","","","0.1817","0.2145","","","","","","0.724","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240134","10.7381","0.0006","10.7477","0.0006","13.5585","0.0012","95.596","0.001","91.497","0.001","118.728","0.001","1360.85","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[[{μ~2~-1,4-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene}[μ~6~-5-(4-carboxylatophenoxy)isophthalato]-μ~3~-hydroxido-dicobalt(II)] 0.25-hydrate]","","- C29 H22.5 Co2 N4 O8.25 -","- C29 H22 Co2 N4 O8.25 -","- C58 H44 Co4 N8 O16.5 -","2","1","","Li, Yaping; Sun, Dajun; Ming, Julia; Han, Liying; Su, Guanfang","Crystal structure of poly[[{μ~2~-1,4-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene}[μ~6~-5-(4-carboxylatophenoxy)isophthalato]-μ~3~-hydroxido-dicobalt(II)] 0.25-hydrate]","Acta Crystallographica Section E","2014","70","11","m376","m377","10.1107/S1600536814022806","","","0.71073","MoKα","","0.0471","0.0365","","","0.0803","0.0856","","","","","","1.038","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240135","7.3739","0.0012","8.511","0.0013","12.493","0.002","103.047","0.002","101.385","0.002","92.532","0.002","745.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-2-Hydroxy-4-methyl-<i>N</i>'-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide trihydrate","","- C11 H17 N3 O6 S -","- C11 H17 N3 O6 S -","- C22 H34 N6 O12 S2 -","2","1","LH5733","Li, Peijuan; Kang, Zizhen; Fan, Xin; Jin, Longfei","Crystal structure of (<i>Z</i>)-2-hydroxy-4-methyl-<i>N</i>'-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide trihydrate","Acta Crystallographica Section E","2014","70","11","o1199","","10.1107/S1600536814023356","","","0.71073","MoKα","","0.0623","0.0523","","","0.1464","0.1541","","","","","","1.098","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240136","8.807","0.0007","14.653","0.0012","22.111","0.0018","90","","92.156","0.0009","90","","2851.4","0.4","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Pentakis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')lanthanum(III) trichloride‒ethylenediamine‒dichloromethane (1/1/1)","","- C13 H50 Cl5 La N12 -","- C12 H48 Cl3 La N12 -","- C48 H192 Cl12 La4 N48 -","4","1","PK2532","Sartain, Hope T.; Staples, Richard J.; Biros, Shannon M.","Crystal structure of pentakis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')lanthanum(III) trichloride‒ethylenediamine‒dichloromethane (1/1/1)","Acta Crystallographica Section E","2014","70","11","424","426","10.1107/S1600536814023289","","","0.71073","MoKα","","0.0441","0.0328","","","0.0728","0.0772","","","","","","1.071","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240137","19.93","0.002","6.25","0.0007","30.645","0.004","90","","98.715","0.007","90","","3773.1","0.8","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","<i>S</i>,<i>N</i>-Dibenzyl-<i>D</i>-penicillamine monohydrate","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C152 H200 N8 O24 S8 -","8","2","","Yoshinari, Nobuto; Konno, Takumi","Crystal structure of <i>S</i>,<i>N</i>-dibenzyl-<small>D</small>-penicillamine monohydrate","Acta Crystallographica Section E","2014","70","11","o1209","","10.1107/S1600536814023459","","","0.71075","MoKα","","0.0473","0.041","","","0.0906","0.0934","","","","","","1.063","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240138","16.9404","0.0012","10.7783","0.0007","17.2561","0.0011","90","","100.001","0.001","90","","3102.9","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[2-<i>tert</i>-butoxy-6-fluoro-3-(pyridin-2-yl-κ<i>N</i>)pyridin-4-yl-κ<i>C</i>^4^](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')iridium(III)","","- C33 H35 F2 Ir N4 O4 -","- C33 H35 F2 Ir N4 O4 -","- C132 H140 F8 Ir4 N16 O16 -","4","0.5","","Park, Ki-Min; Kang, Youngjin","Crystal structure of bis[2-<i>tert</i>-butoxy-6-fluoro-3-(pyridin-2-yl-κ<i>N</i>)pyridin-4-yl-κ<i>C</i>^4^](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')iridium(III)","Acta Crystallographica Section E","2014","70","11","427","429","10.1107/S1600536814022934","","","0.71073","MoKα","","0.0183","0.0171","","","0.0384","0.0388","","","","","","1.012","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240139","6.0916","0.0011","8.7713","0.0016","15.167","0.003","80.255","0.006","81.703","0.006","80.122","0.006","781.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Methoxycarbonyl-2-(4-methoxyphenyl)-8-oxo-1-azaspiro[4.5]deca-1,6,9-trien-1-ium-1-olate","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C36 H34 N2 O10 -","2","1","","Martins, Lucimara Julio; de Simoni, Deborah; Aparicio, Ricardo; Coelho, Fernando","Crystal structure of 3-methoxycarbonyl-2-(4-methoxyphenyl)-8-oxo-1-azaspiro[4.5]deca-1,6,9-trien-1-ium-1-olate","Acta Crystallographica Section E","2014","70","11","o1200","o1201","10.1107/S1600536814023277","","","1.54178","CuKα","","0.0427","0.0422","","","0.1047","0.1053","","","","","","1.11","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240140","8.757","0.0009","15.9008","0.0016","16.2987","0.0016","61.695","0.003","84.535","0.003","84.46","0.003","1985.6","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","3,13-dimethoxy-5,6,10,11-tetrahydrofuro[3,4-<i>i</i>][5]helicene-7,9-dione","","- C26 H20 O5 -","- C26 H20 O5 -","- C104 H80 O20 -","4","2","","Sooksimuang, Thanasat; Kamtonwong, Siriporn; Parnchan, Waraporn; Kangkaew, Laongdao; Sahasithiwat, Somboon","Crystal structure of 3,13-dimethoxy-5,6,10,11-tetrahydrofuro[3,4-<i>i</i>][5]helicene-7,9-dione","Acta Crystallographica Section E","2014","70","11","418","420","10.1107/S1600536814023137","","","0.71073","MoKα","","0.0913","0.0489","","","0.1162","0.1395","","","","","","1.021","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240141","24.2206","0.0008","8.2838","0.0002","8.3206","0.0004","90","","90","","90","","1669.43","0.11","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-{[2-(3-Phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride","","- C16 H16 Cl N3 S2 -","- C16 H16 Cl N3 S2 -","- C64 H64 Cl4 N12 S8 -","4","1","HB7295","Low, May Lee; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.","Crystal structure of 2-{[2-(3-phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride","Acta Crystallographica Section E","2014","70","11","o1207","o1208","10.1107/S1600536814023228","","","1.5418","CuKα","","0.0344","0.0305","","","0.0758","0.0775","","","","","","1.037","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240142","9.4578","0.0002","12.6902","0.0003","30.513","0.0009","90","","96.334","0.001","90","","3639.86","0.16","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","μ-1κ<i>C</i>:2(η^2^)-Carbonyl-carbonyl-1κ<i>C</i>-\ chlorido-2κ<i>Cl</i>-μ-chloridoborylene-1:2κ^2^<i>B</i>:<i>B</i>-\ [1(η^5^)-pentamethylcyclopentadienyl](tricyclohexylphosphane-\ 2κ<i>P</i>)iron(II)platinum(II) benzene monosolvate","","- C36 H54 B Cl2 Fe O2 P Pt -","- C36 H54 B Cl2 Fe O2 P Pt -","- C144 H216 B4 Cl8 Fe4 O8 P4 Pt4 -","4","1","WM5073","Braunschweig, Holger; Kramer, Thomas","Crystal structure of μ-1κ<i>C</i>:2(η^2^)-carbonyl-carbonyl-1κ<i>C</i>-chlorido-2κ<i>Cl</i>-μ-chloridoborylene-1:2κ^2^<i>B</i>:<i>B</i>-[1(η^5^)-pentamethylcyclopentadienyl](tricyclohexylphosphane-2κ<i>P</i>)iron(II)platinum(II) benzene monosolvate","Acta Crystallographica Section E","2014","70","11","421","423","10.1107/S1600536814023381","","","0.71073","MoKα","","0.0593","0.0362","","","0.0544","0.0585","","","","","","0.995","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240143","15.8218","0.0017","15.9933","0.0017","18.806","0.002","94.833","0.002","95.014","0.002","110.605","0.002","4403.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Decacarbonyltetra-μ~4~-oxido-hexa-μ~3~-oxido-tetrakis[μ-2,2'-(pyridine-2,6-diyl)bis(1,1-diphenylethanolato)] decatin(II)ditin(IV)dimolybdenum(O)(2 <i>Mo</i>—<i>Sn</i>) toluene heptasolvate","","- C191 H164 Mo2 N4 O28 Sn12 -","- C191 H164 Mo2 N4 O28 Sn12 -","- C191 H164 Mo2 N4 O28 Sn12 -","1","0.5","RZ5135","Kireenko, Marina M.; Zaitsev, Kirill V.; Karlov, Sergey S.; Egorov, Mikhail P.; Churakov, Andrei V.","Crystal structure of a mixed-valence μ-oxide Sn~12~ cluster","Acta Crystallographica Section E","2014","70","11","m378","m379","10.1107/S1600536814023460","","","0.71073","MoKα","","0.0428","0.0325","","","0.0757","0.0813","","","","","","1.023","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240144","12.123","0.0011","15.0901","0.0014","4.8763","0.0004","90","","90","","90","","892.06","0.14","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(<i>E</i>)-3-(5-Bromo-2-hydroxyphenyl)acrylaldehyde","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C36 H28 Br4 O8 -","4","1","GW2149","Kim, Sung-Gon","Crystal structure of (<i>E</i>)-3-(5-bromo-2-hydroxyphenyl)acrylaldehyde","Acta Crystallographica Section E","2014","70","11","o1219","o1220","10.1107/S1600536814023708","","","0.71073","MoKα","","0.0424","0.0279","","","0.0553","0.0859","","","","","","1.164","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240145","6.1377","0.0015","14.643","0.004","17.519","0.004","75.619","0.016","88.369","0.017","86.755","0.017","1522.6","0.7","123","2","123","2","","","","","","","","3","P -1","-P 1","2","four-layered[3.3](3,5)pyridinophane","12,30-Diazaheptacyclo[21.13.1.1^5,19^.1^6,18^.1^10,14^.1^24,36^.1^28,32^]dotetraconta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodecaene","","- C40 H46 N2 -","- C40 H46 N2 -","- C80 H92 N4 -","2","1","HB7300","Shibahara, Masahiko; Watanabe, Motonori; Matsumoto, Taisuke; Goto, Kenta; Shinmyozu, Teruo","Crystal structure of a four-layered [3.3](3,5)pyridinophane","Acta Crystallographica Section E","2014","70","11","447","450","10.1107/S1600536814023691","","","1.54187","CuKα","","0.0784","0.0699","","","0.1953","0.2044","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240146","13.5706","0.0006","7.5329","0.0004","8.4303","0.0004","90","","90","","90","","861.8","0.07","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","DTCDD","1,6-Dithiacyclodeca-<i>cis</i>-3,<i>cis</i>-8-diene","","- C8 H12 S2 -","- C8 H12 S2 -","- C32 H48 S8 -","4","","HB7285","Baughman, Russell G.; Delanty, Molly C.; Ortwerth, Michael F.","Crystal structure of 1,6-dithiacyclodeca-<i>cis</i>-3,<i>cis</i>-8-diene (DTCDD)","Acta Crystallographica Section E","2014","70","11","o1218","","10.1107/S1600536814023319","","","0.71073","MoKα","","0.0487","0.0341","","","0.0848","0.0899","","","","","","1.073","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240147","7.8563","0.0004","14.2936","0.0006","14.8769","0.0007","90","","100.022","0.005","90","","1645.11","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Aqua(perchlorato-κ<i>O</i>)bis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate","","- C6 H22 Cl2 Cu N4 O9 -","- C6 H22 Cl2 Cu N4 O9 -","- C24 H88 Cl8 Cu4 N16 O36 -","4","1","SU2799","Govindaraj, J.; Rajkumar, K.; Ganeshraja, A. S.; Anbalagan, K.; SubbiahPandi, A.","Crystal structure of <i>trans</i>-aqua(perchlorato-κ<i>O</i>)bis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate","Acta Crystallographica Section E","2014","70","11","438","440","10.1107/S1600536814023496","","","0.71073","MoKα","","0.0596","0.0463","","","0.1162","0.1265","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240148","7.6233","0.0006","12.8461","0.001","9.4625","0.0007","90","","98.155","0.001","90","","917.29","0.12","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[diaqua(4,5-diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')cadmium]-μ-2-hydroxy-5-sulfonatobenzoato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^5^]","","- C18 H14 Cd N2 O9 S -","- C18 H14 Cd N2 O9 S -","- C36 H28 Cd2 N4 O18 S2 -","2","1","","Wang, Chun-Xiang; Li, Zhi-Feng","Crystal structure of <i>catena</i>-poly[[diaqua(4,5-diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')cadmium]-μ-2-hydroxy-5-sulfonatobenzoato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^5^]","Acta Crystallographica Section E","2014","70","11","m387","m388","10.1107/S1600536814023472","","","0.71073","MoKα","","0.0151","0.0148","","","0.0373","0.0374","","","","","","1.02","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240149","19.3211","0.0013","4.8198","0.0002","16.1795","0.001","90","","122.694","0.007","90","","1267.99","0.16","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","1<i>H</i>,1'<i>H</i>-[2,2'-Biimidazol]-3-ium hydrogen tartrate hemihydrate","1<i>H</i>,1'<i>H</i>-[2,2'-Biimidazol]-3-ium 3-carboxy-2,3-dihydroxypropanoate hemihydrate","","- C10 H13 N4 O6.5 -","- C10 H13 N4 O6.5 -","- C40 H52 N16 O26 -","4","1","","Gao, Xiao-Li; Bian, Li-Fang; Guo, Shao-Wei","Crystal structure of 1<i>H</i>,1'<i>H</i>-[2,2'-biimidazol]-3-ium hydrogen tartrate hemihydrate","Acta Crystallographica Section E","2014","70","11","o1221","o1222","10.1107/S160053681402371X","","","0.71073","MoKα","","0.0461","0.0412","","","0.093","0.099","","","","","","1.106","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240150","9.0656","0.0002","10.4085","0.0003","16.5551","0.0004","86.993","0.0011","81.567","0.001","73.39","0.0011","1480.67","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (2<i>Z</i>)-2-cyano-3-[(3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)amino]prop-2-enoate","","- C16 H16 N4 O2 -","- C16 H16 N4 O2 -","- C64 H64 N16 O8 -","4","2","HB7306","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Emary, Talaat I.; Albayati, Mustafa R.","Crystal structure of ethyl (2<i>Z</i>)-2-cyano-3-[(3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)amino]prop-2-enoate","Acta Crystallographica Section E","2014","70","11","o1214","o1215","10.1107/S1600536814023502","","","1.54178","CuKα","","0.0563","0.0421","","","0.1028","0.1118","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240151","15.277","0.002","15.277","0.002","7.8708","0.0016","90","","90","","120","","1590.8","0.4","120","2","120","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Tris(phenylselenolato-κ<i>Se</i>)tris(tetrahydrofuran-κ<i>O</i>)thulium(III)","","- C30 H39 O3 Se3 Tm -","- C30 H39 O3 Se3 Tm -","- C60 H78 O6 Se6 Tm2 -","2","0.333333","SU5009","Takaluoma, Esther M.; Oilunkaniemi, Raija; Lehmann, Christian W.; Laitinen, Risto S.","Crystal structure of tris(phenylselenolato-κ<i>Se</i>)tris(tetrahydrofuran-κ<i>O</i>)thulium(III)","Acta Crystallographica Section E","2014","70","11","m389","","10.1107/S1600536814023733","","","0.71073","MoKα","","0.0416","0.0381","","","0.0847","0.0865","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240152","9.1497","0.0002","12.3932","0.0003","12.7294","0.0003","87.407","0.0011","82.674","0.0012","75.019","0.0012","1382.88","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-{[3-Methyl-1-phenyl-5-(1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-pyrazol-4-yl]methylidene}hydroxylamine","","- C15 H14 N4 O -","- C15 H14 N4 O -","- C60 H56 N16 O4 -","4","2","HB7307","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Emary, Talaat I.; Albayati, Mustafa R.","Crystal structure of (<i>E</i>)-<i>N</i>-{[3-methyl-1-phenyl-5-(1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-pyrazol-4-yl]methylidene}hydroxylamine","Acta Crystallographica Section E","2014","70","11","o1216","o1217","10.1107/S1600536814023514","","","1.54178","CuKα","","0.0606","0.0423","","","0.0982","0.1077","","","","","","1.036","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240153","11.2213","0.0006","14.6239","0.0007","14.1804","0.0008","90","","104.405","0.005","90","","2253.8","0.2","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","Bis-[1-(3-chlorophenyl)piperazinium]dipicrate picric acid","1-(3-Chlorophenyl)piperazin-1-ium picrate‒picric acid (2/1)","","- C38 H35 Cl2 N13 O21 -","- C38 H35 Cl2 N13 O21 -","- C76 H70 Cl4 N26 O42 -","2","1","BV2237","Kavitha, Channappa N.; Jasinski, Jerry P.; Kaur, Manpreet; Anderson, Brian J.; Yathirajan, H. S.","Crystal structure of 1-(3-chlorophenyl)piperazin-1-ium picrate‒picric acid (2/1)","Acta Crystallographica Section E","2014","70","11","o1210","o1211","10.1107/S1600536814023654","","","0.71073","MoKα","","0.0718","0.0537","","","0.1269","0.1394","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240154","6.1101","0.0005","22.7075","0.0019","16.1587","0.0012","90","","94.626","0.007","90","","2234.6","0.3","120.01","0.19","120.01","0.19","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[μ-acetato-bis[μ-2-oxo-2-(quinolin-8-yl)ethanoato]trisodium]","","- C24 H15 N2 Na3 O8 -","- C24 H15 N2 Na3 O8 -","- C96 H60 N8 Na12 O32 -","4","1","PJ2016","Nicholls, Rachel L.; Pask, Christopher M.; Nguyen, Bao","Crystal structure of poly[μ-acetato-bis[μ-2-oxo-2-(quinolin-8-yl)ethanoato]trisodium]","Acta Crystallographica Section E","2014","70","11","m385","m386","10.1107/S1600536814023423","","","1.54184","CuKα","","0.0891","0.0498","","","0.1088","0.1303","","","","","","0.985","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240155","22.6657","0.00013","22.6657","0.00013","14.24938","0.00011","90","","90","","90","","7320.39","0.08","100","0.1","100","0.1","","","","","","","","4","P 42/n","-P 4bc","86","","5,6-[(1<i>R</i>,10<i>S</i>)-2,9-Dioxatricyclo[8.6.0^3,8^.0^11,16^]hexadecane-1,10-diyl]-(C~60~‒I~h~)[5,6]fullerene methanedithione 0.1-solvate","","- C74.1 H10 O2 S0.21 -","- C74.1033 H10 O2 S0.206 -","- C592.826 H80 O16 S1.648 -","8","","ZP2014","Bortel, Gábor; Kováts, Éva; Oszlányi, Gábor; Pekker, Sándor","Crystal structure of the 4~+~2 cycloadduct of photooxidized anthracene and C~60~ fullerene","Acta Crystallographica Section E","2014","70","11","444","446","10.1107/S1600536814019643","","","1.54184","CuKα","","0.05","0.0454","","","0.1157","0.1199","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2240156","8.528","0.0002","8.752","0.0002","13.3309","0.0003","97.905","0.001","97.684","0.001","99.88","0.001","958.21","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Chlorido{4,5-dimethoxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κ<i>C</i>^1^}(piperidine-κ<i>N</i>)platinum(II) ethanol monosolvate","","- C18 H30 Cl N O3 Pt -","- C18 H30 Cl N O3 Pt -","- C36 H60 Cl2 N2 O6 Pt2 -","2","1","RZ5134","Mangwala Kimpende, Peter; Thi Da, Tran; Nguyen Huu, Dinh; Van Meervelt, Luc","Crystal structure of chlorido{4,5-dimethoxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κ<i>C</i>^1^}(piperidine-κ<i>N</i>)platinum(II) ethanol monosolvate","Acta Crystallographica Section E","2014","70","11","435","437","10.1107/S1600536814023575","","","1.54178","CuKα","","0.0285","0.0274","","","0.0679","0.0685","","","","","","1.081","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240157","11.997","0.003","12.885","0.003","18.217","0.004","90","","96.856","0.004","90","","2795.9","1.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloridobis(1,3-diisopropyl-4,5-dimethyl-2<i>H</i>-imidazole-2-thione-κ<i>S</i>)zinc(II)","","- C22 H40 Cl2 N4 S2 Zn -","- C22 H40 Cl2 N4 S2 Zn -","- C88 H160 Cl8 N16 S8 Zn4 -","4","1","HP2069","Flörke, Ulrich; Ahmida, Aziza; Egold, Hans; Henkel, Gerald","Crystal structure of dichloridobis(1,3-diisopropyl-4,5-dimethyl-2<i>H</i>-imidazole-2-thione-κ<i>S</i>)zinc(II)","Acta Crystallographica Section E","2014","70","11","m384","","10.1107/S1600536814023642","","","0.71073","MoKα","","0.0801","0.0559","","","0.1115","0.1231","","","","","","0.922","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240158","7.2418","0.0009","11.5459","0.0014","14.5301","0.0017","69.014","0.002","76.086","0.002","84.124","0.002","1100.9","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","4-Methyl-7-propoxy-2<i>H</i>-chromen-2-one","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","2","","Estrada-Soto, Samuel; Sánchez-Recillas, Amanda; Navarrete-Vázquez, Gabriel; Tlahuext, Hugo","Crystal structure of 4-methyl-7-propoxy-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2014","70","11","451","453","10.1107/S1600536814023678","","","0.71073","MoKα","","0.0534","0.0472","","","0.1158","0.1222","","","","","","1.124","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240159","13.0297","0.0006","8.5901","0.0003","19.7449","0.0008","90","","98.337","0.001","90","","2186.62","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzyl-4-(2,4-dichlorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","","- C25 H23 Cl2 N3 -","- C25 H23 Cl2 N3 -","- C100 H92 Cl8 N12 -","4","1","HB7305","Nagalakshmi, R. A.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structure of 1-benzyl-4-(2,4-dichlorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[<i>b</i>]pyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","11","441","443","10.1107/S1600536814023071","","","0.71073","MoKα","","0.0708","0.0514","","","0.1334","0.1508","","","","","","1.052","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240160","7.9412","0.0002","15.7078","0.0003","22.3276","0.0004","90","","98.573","0.001","90","","2754","0.1","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5-(4,5-Dihydro-1<i>H</i>-imidazol-2-yl)-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyrazin-6-amine","","- C15 H15 N7 -","- C15 H15 N7 -","- C120 H120 N56 -","8","1","HG5415","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Emary, Talaat I.; Albayati, Mustafa R.","Crystal structure of 5-(4,5-dihydro-1<i>H</i>-imidazol-2-yl)-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyrazin-6-amine","Acta Crystallographica Section E","2014","70","11","o1212","o1213","10.1107/S160053681402354X","","","1.54178","CuKα","","0.0414","0.0352","","","0.0893","0.0938","","","","","","1.041","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240161","10.95","0.005","8.25","0.005","16.216","0.005","90","","93.911","0.005","90","","1461.5","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')zinc","","- C15 H11 Cl2 N3 Zn -","- C15 H11 Cl2 N3 Zn -","- C60 H44 Cl8 N12 Zn4 -","4","1","","Kong, Cheng-Cheng; Zhou, Jia-Zheng; Yu, Jian-Hua; Li, Sheng-Li","Crystal structure of dichlorido(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')zinc: a redetermination","Acta Crystallographica Section E","2014","70","11","m382","m383","10.1107/S1600536814023605","","","0.71069","MoKα","","0.0215","0.0196","","","0.055","0.056","","","","","","1.047","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240162","18.977","0.003","3.7811","0.0004","15.5047","0.0018","90","","90","","90","","1112.5","0.2","200","","200","","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Bromo-1,4-dihydroxy-9,10-anthraquinone","","- C14 H7 Br O4 -","- C14 H7 Br O4 -","- C56 H28 Br4 O16 -","4","1","HB7282","Furukawa, Wataru; Takehara, Munenori; Inoue, Yoshinori; Kitamura, Chitoshi","Crystal structure of 2-bromo-1,4-dihydroxy-9,10-anthraquinone","Acta Crystallographica Section E","2014","70","10","o1130","","10.1107/S1600536814020996","","","0.71073","MoKα","","0.0659","0.0574","","","0.095","0.0985","","","","","","1.11","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240163","13.6653","0.0017","14.6674","0.0018","19.663","0.002","90","","104.807","0.002","90","","3810.3","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{2,4-di-<i>tert</i>-butyl-6-[(isopropylimino)methyl]phenolato-κ^2^<i>N</i>,<i>O</i>}zinc dichloromethane monosolvate","","- C37 H58 Cl2 N2 O2 Zn -","- C37 H58 Cl2 N2 O2 Zn -","- C148 H232 Cl8 N8 O8 Zn4 -","4","1","","Hao, Yuan-Zeng","Crystal structure of bis{2,4-di-<i>tert</i>-butyl-6-[(isopropylimino)methyl]phenolato-κ^2^<i>N</i>,<i>O</i>}zinc dichloromethane monosolvate","Acta Crystallographica Section E","2014","70","12","m390","m391","10.1107/S1600536814022636","","","0.71073","MoKα","","0.0524","0.0356","","","0.0898","0.101","","","","","","1.025","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240164","15.3098","0.0011","14.3677","0.0012","8.6546","0.0003","90","","97.429","0.004","90","","1887.7","0.2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(±)-3-[(Benzo[<i>d</i>][1,3]dioxol-5-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","- C20 H21 N O6 S -","- C20 H21 N O6 S -","- C80 H84 N4 O24 S4 -","4","1","GG2142","Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Abonia, Rodrigo; Ellena, Javier; De Simone, Carlos A.","Crystal structure of (±)-3-[(benzo[<i>d</i>][1,3]dioxol-5-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2014","70","12","o1235","o1236","10.1107/S160053681402340X","","","0.71073","MoKα","","0.0659","0.0489","","","0.1328","0.15","","","","","","1.025","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240165","9.05738","0.00008","11.87633","0.00009","21.13465","0.00015","90","","90","","90","","2273.42","0.03","291","2","291.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Hydrocortisone 17-butyrate","(8<i>S</i>,9<i>S</i>,10<i>R</i>,11<i>S</i>,13<i>S</i>,14<i>S</i>,17<i>R</i>)-11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl butanoate","","- C25 H36 O6 -","- C25 H36 O6 -","- C100 H144 O24 -","4","1","RZ5136","Zhu, Yu; Shen, Wei; Wang, Hai-li","Crystal structure of hydrocortisone 17-butyrate","Acta Crystallographica Section E","2014","70","12","o1239","o1240","10.1107/S1600536814023903","","","1.54184","CuKα","","0.0407","0.0399","","","0.1099","0.1109","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240166","8.7938","0.0002","9.1775","0.0003","10.7298","0.0003","86.571","0.001","69.157","0.001","81.093","0.002","799.51","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-2,4,6-trimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran","","- C18 H17 Cl O2 S -","- C18 H17 Cl O2 S -","- C36 H34 Cl2 O4 S2 -","2","1","NK2227","Choi, Hong Dae; Lee, Uk","Crystal structure of 5-chloro-2,4,6-trimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","12","o1233","o1234","10.1107/S160053681402385X","","","0.71073","MoKα","","0.0487","0.0431","","","0.1189","0.1237","","","","","","1.048","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240167","8.1565","0.0003","14.2567","0.0005","14.6664","0.0005","90","","98.21","0.001","90","","1688","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-Methyl (11a<i>R</i>*,12<i>S</i>*,13<i>R</i>*,15a<i>S</i>*,15b<i>S</i>*)-11-oxo-11,11a,12,13-tetrahydro-9<i>H</i>,15b<i>H</i>-13,15a-epoxyisoindolo[1,2-<i>c</i>]pyrrolo[1,2-<i>a</i>][1,4]benzodiazepine-12-carboxylate","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","LD2132","Zaytsev, Vladimir P.; Orlova, Daria N.; Gurbanov, Atash V.; Zubkov, Fedor I.; Khrustalev, Victor N.","Crystal strucutre of <i>rac</i>-methyl (11a<i>R</i>*,12<i>S</i>*,13<i>R</i>*,15a<i>S</i>*,15b<i>S</i>*)-11-oxo-11,11a,12,13-tetrahydro-9<i>H</i>,15b<i>H</i>-13,15a-epoxyisoindolo[1,2-<i>c</i>]pyrrolo[1,2-<i>a</i>][1,4]benzodiazepine-12-carboxylate","Acta Crystallographica Section E","2014","70","12","o1225","o1226","10.1107/S1600536814023344","","","0.71073","MoKα","","0.0526","0.0426","","","0.1112","0.1188","","","","","","1","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240168","8.48","0.0017","16.227","0.003","17.263","0.004","90","","98.78","0.03","90","","2347.6","0.9","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Dicyclohexyl-4,5-dimethyl-1<i>H</i>-imidazol-3-ium-2-carbodithioate chloroform monosolvate","","- C19 H29 Cl3 N2 S2 -","- C19 H29 Cl3 N2 S2 -","- C76 H116 Cl12 N8 S8 -","4","1","","Mallah, Eyad; Sweidan, Kamal; Abu Dayyih, Wael; Steimann, Manfred; Sunjuk, Mahmoud","Crystal structure of 1,3-dicyclohexyl-4,5-dimethyl-1<i>H</i>-imidazol-3-ium-2-carbodithioate chloroform monosolvate","Acta Crystallographica Section E","2014","70","12","o1227","o1228","10.1107/S1600536814023800","","","0.71073","MoKα","","0.0979","0.0525","","","0.1317","0.1527","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240169","11.189","0.003","6.9489","0.0017","19.979","0.005","90","","98.056","0.01","90","","1538.1","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{[1-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)propan-2-yloxy]carbonyl}benzoic acid","","- C15 H15 N3 O6 -","- C15 H15 N3 O6 -","- C60 H60 N12 O24 -","4","1","RZ5138","Shahid, Hafiz Abdullah; Jahangir, Sajid; Shah, Syed Adnan Ali; Zaki, Hamizah Mohd; Naz, Humera","Crystal structure of 2-{[1-(2-methyl-5-nitro-1<i>H</i>-imidazol-1-yl)propan-2-yloxy]carbonyl}benzoic acid","Acta Crystallographica Section E","2014","70","12","o1237","o1238","10.1107/S1600536814023927","","","0.71073","MoKα","","0.0529","0.0466","","","0.1119","0.1193","","","","","","1.069","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240170","13.2571","0.0005","6.4753","0.0003","19.6761","0.0007","90","","114.924","0.002","90","","1531.76","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Adamantan-1-yl)-5-(4-bromophenyl)-1,3,4-oxadiazole","","- C18 H19 Br N2 O -","- C18 H19 Br N2 O -","- C72 H76 Br4 N8 O4 -","4","1","RZ5137","Alzoman, Nourah Z.; El-Emam, Ali A.; Ghabbour, Hazem A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","Crystal structure of 2-(adamantan-1-yl)-5-(4-bromophenyl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2014","70","12","o1231","o1232","10.1107/S1600536814023861","","","0.71073","MoKα","","0.0398","0.0306","","","0.0649","0.0685","","","","","","1.058","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240171","7.0011","0.0005","9.7667","0.0006","12.4071","0.0008","90","","90.375","0.003","90","","848.35","0.1","100","2","100","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H22 B20 -","- C4 H22 B20 -","- C8 H44 B40 -","2","0.5","PK2536","Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Definitive crystal structure of 1,1'-bis[1,2-dicarba-<i>closo</i>-dodecaborane(11)]","Acta Crystallographica Section E","2014","70","12","462","465","10.1107/S1600536814023897","","","0.71073","MoKα","","0.0452","0.0363","","","0.0998","0.106","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240172","4.2987","0.0004","7.0243","0.001","27.587","0.004","90","","90","","90","","833","0.19","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Methoxyisoindoline-1,3-dione","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C36 H28 N4 O12 -","4","1","SU2795","Ezemobi, Fortune; North, Henry; Scott, Kenneth R.; Wutoh, Anthohy K.; Butcher, Ray J.","Crystal structures of 2-methoxyisoindoline-1,3-dione, 1,3-dioxoisoindolin-2-yl methyl carbonate and 1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-2-yl methyl carbonate: three anticonvulsant compounds","Acta Crystallographica Section E Structure Reports Online","2014","70","12","456","","10.1107/S1600536814023769","","","0.71073","MoKα","","0.1098","0.0989","","","0.2209","0.2287","","","","","","1.126","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240173","7.0363","0.0004","11.0082","0.0005","12.4239","0.0006","98.884","0.004","96.159","0.004","93.009","0.004","942.95","0.08","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","1,3-Dioxoisoindolin-2-yl methyl carbonate","","- C10 H7 N O5 -","- C10 H7 N O5 -","- C40 H28 N4 O20 -","4","2","","Ezemobi, Fortune; North, Henry; Scott, Kenneth R.; Wutoh, Anthohy K.; Butcher, Ray J.","Crystal structures of 2-methoxyisoindoline-1,3-dione, 1,3-dioxoisoindolin-2-yl methyl carbonate and 1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-2-yl methyl carbonate: three anticonvulsant compounds","Acta Crystallographica Section E Structure Reports Online","2014","70","12","456","","10.1107/S1600536814023769","","","1.54184","CuKα","","0.036","0.0332","","","0.0867","0.0887","","","","","","1.064","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240174","16.512","0.003","18.579","0.003","7.6156","0.0013","90","","99.434","0.017","90","","2304.7","0.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Dioxo-2,3-dihydro-1<i>H</i>-benzo[<i>de</i>]isoquinolin-2-yl methyl carbonate","","- C14 H9 N O5 -","- C14 H9 N O5 -","- C112 H72 N8 O40 -","8","2","","Ezemobi, Fortune; North, Henry; Scott, Kenneth R.; Wutoh, Anthohy K.; Butcher, Ray J.","Crystal structures of 2-methoxyisoindoline-1,3-dione, 1,3-dioxoisoindolin-2-yl methyl carbonate and 1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-2-yl methyl carbonate: three anticonvulsant compounds","Acta Crystallographica Section E Structure Reports Online","2014","70","12","456","","10.1107/S1600536814023769","","","0.71073","MoKα","","0.1713","0.0796","","","0.1718","0.2241","","","","","","1","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240175","6.706","0.0003","12.1364","0.001","40.6017","0.0016","90","","93.969","0.004","90","","3296.5","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","allylammonium oxalate","Bis(allylammonium) oxalate","","- C8 H16 N2 O4 -","- C8 H16 N2 O4 -","- C96 H192 N24 O48 -","12","3","SU5011","Dziuk, Błażej; Zarychta, Bartosz; Ejsmont, Krzysztof","Crystal structure of bis(allylammonium) oxalate","Acta Crystallographica Section E","2014","70","12","o1229","o1230","10.1107/S1600536814023617","","","0.71073","MoKα","","0.0866","0.0531","","","0.1233","0.1317","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240176","8.4938","0.0003","18.9062","0.0007","19.9303","0.0007","88.215","0.003","78.816","0.003","83.072","0.003","3116.7","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","(2-{3-[4-(4'-Cyanobiphenyl-4-yloxy)butoxy]pyridin-2-yl-κ<i>N</i>}-5-(dodecyloxy)phenyl-κ<i>C</i>^1^)(9-oxotetracos-7-en-7-olato-κ^2^<i>O</i>,<i>O</i>')platinum(II)","","- C64 H92 N2 O5 Pt -","- C64 H92 N2 O5 Pt -","- C128 H184 N4 O10 Pt2 -","2","1","VN2086","Luo, Kaijun; Liu, Hanlin; Guo, Qing; Luo, Daibing","Crystal structure of (2-{3-[4-(4'-cyanobiphenyl-4-yloxy)butoxy]pyridin-2-yl-κ<i>N</i>}-5-(dodecyloxy)phenyl-κ<i>C</i>^1^)(9-oxotetracos-7-en-7-olato-κ^2^<i>O</i>,<i>O</i>')platinum(II)","Acta Crystallographica Section E","2014","70","12","m392","m393","10.1107/S1600536814021928","","","0.7107","MoKα","","0.0975","0.0611","","","0.1308","0.1521","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240177","17.783","0.005","9.6993","0.0019","12.796","0.003","90","","107.868","0.01","90","","2100.6","0.9","110","","110","","","","","","","","","5","C 1 2 1","C 2y","5","","(<i>R</i>)-<i>N</i>-benzyl-1-phenylethanaminium (<i>R</i>)-4-chloromandelate","","- C23 H24 Cl N O3 -","- C23 H24 Cl N O3 -","- C92 H96 Cl4 N4 O12 -","4","1","","Peng, Yangfeng; Rohani, Sohrab; Boyle, Paul D.; He, Quan","Crystal structure of (<i>R</i>)-<i>N</i>-benzyl-1-phenylethanaminium (<i>R</i>)-4-chloromandelate","Acta Crystallographica Section E","2014","70","12","o1223","o1224","10.1107/S1600536814023204","","","0.71073","MoKα","","0.0427","0.0359","","","0.0879","0.0915","","","","","","1.037","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240178","9.4479","0.0019","11.022","0.002","13.259","0.003","74.64","0.03","69.7","0.03","77.28","0.03","1236.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[(5-oxooxolan-3-yl)triphenylphosphanium] hexaiodidotellurate(IV)","","- C44 H40 I6 O4 P2 Te -","- C44 H40 I6 O4 P2 Te -","- C44 H40 I6 O4 P2 Te -","1","0.5","ZL2606","Närhi, Sari M.; Oilunkaniemi, Raija; Laitinen, Risto S.","Crystal structure of bis[(5-oxooxolan-3-yl)triphenylphosphanium] hexaiodidotellurate(IV)","Acta Crystallographica Section E","2014","70","12","o1241","","10.1107/S1600536814023940","","","0.71073","MoKα","","0.041","0.0318","","","0.0731","0.0775","","","","","","1.049","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240179","16.0224","0.0015","7.853","0.0008","12.6766","0.0012","90","","119.739","0.007","90","","1384.9","0.3","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tin(IV) chloride octahydrate","","- Cl4 H16 O8 Sn -","- Cl4 H16 O8 Sn -","- Cl16 H64 O32 Sn4 -","4","0.5","BR2243","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structure of tin(IV) chloride octahydrate","Acta Crystallographica Section E","2014","70","12","480","482","10.1107/S1600536814024271","","","0.71073","MoKα","","0.0228","0.0214","","","0.0487","0.0494","","","","","","1.106","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240180","5.7955","0.0001","15.4472","0.0004","21.9289","0.0005","90","","93.831","0.001","90","","1958.78","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-{[2-(2,4-Dinitrophenyl)hydrazin-1-ylidene]methyl}-3-methyl-1-phenyl-5-(1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-pyrazole","","- C21 H17 N7 O4 -","- C21 H17 N7 O4 -","- C84 H68 N28 O16 -","4","1","IS5380","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Kashef, Hussein M. S.; Albayati, Mustafa R.","Crystal structure of (<i>E</i>)-4-{[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl}-3-methyl-1-phenyl-5-(1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2014","70","12","o1246","o1247","10.1107/S1600536814024039","","","1.54178","CuKα","","0.0378","0.0333","","","0.0859","0.0893","","","","","","1.03","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240181","7.0988","0.0002","12.3864","0.0003","33.2745","0.0009","90","","90","","90","","2925.78","0.13","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Betulinic acid methanol monosolvate","3β-Hydroxylup-20(29)-en-28-oic acid methanol monosolvate","","- C31 H52 O4 -","- C31 H52 O4 -","- C124 H208 O16 -","4","1","ZS2317","Tang, Wei; Chen, Neng-Hua; Li, Guo-Qiang; Wang, Guo-Cai; Li, Yao-Lan","Crystal structure of betulinic acid methanol monosolvate","Acta Crystallographica Section E","2014","70","12","o1242","o1243","10.1107/S1600536814023848","","","1.54184","CUKα","","0.0518","0.0436","","","0.1033","0.1117","","","","","","1.051","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240182","10.4989","0.0003","11.2755","0.0003","11.9769","0.0003","90","","109.926","0.001","90","","1332.95","0.06","100","2","100.03","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-3-methyl-1<i>H</i>-imidazolium hexafluoridophosphate","","- C11 H13 F6 N2 P -","- C11 H13 F6 N2 P -","- C44 H52 F24 N8 P4 -","4","1","ZL2605","Hillesheim, Patrick C.; Scipione, Kent A.","Crystal structure of 1-benzyl-3-methyl-1<i>H</i>-imidazolium hexafluoridophosphate","Acta Crystallographica Section E","2014","70","12","o1248","o1249","10.1107/S1600536814024301","","","0.71073","MoKα","","0.0368","0.0311","","","0.0798","0.0827","","","","","","1.074","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240183","12.975","0.005","25.115","0.009","6.452","0.009","90","","90","","90","","2102","3","293","2","293","2","","","","","","","","6","C m m m","-C 2 2","65","","Bis(propane-1,3-diaminium) hexafluoridoaluminate diaquatetrafluoridoaluminate tetrahydrate","","- C6 H36 Al2 F10 N4 O6 -","- C6 H36 Al2 F10 N4 O6 -","- C24 H144 Al8 F40 N16 O24 -","4","0.25","CV5471","Abdi, Insaf; Al-Sadhan, Khulood; Ben Ali, Amor","Crystal structure of bis(propane-1,3-diaminium) hexafluoridoaluminate diaquatetrafluoridoaluminate tetrahydrate","Acta Crystallographica Section E","2014","70","12","471","473","10.1107/S1600536814024155","","","0.71073","MoKα","","0.0883","0.0471","","","0.1145","0.1479","","","","","","1.116","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240184","9.783","0.002","11.962","0.003","14.858","0.003","90","","97.385","0.007","90","","1724.3","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1-(4-bromobenzyl)pyridinium] bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)","","- C32 H22 Br2 N6 Ni S4 -","- C32 H22 Br2 N6 Ni S4 -","- C64 H44 Br4 N12 Ni2 S8 -","2","0.5","","Zeng, Dong; Yang, Shui-Bin; Tian, Zheng-Fang","Crystal structure of bis[1-(4-bromobenzyl)pyridinium] bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)","Acta Crystallographica Section E","2014","70","12","m395","m396","10.1107/S1600536814024222","","","0.71073","MoKα","","0.0703","0.042","","","0.0949","0.1018","","","","","","1.027","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240185","7.0701","0.001","7.0701","0.001","9.7631","0.0015","90","","90","","120","","422.64","0.11","180","","180","","","","","","","","","4","P 63","P 6c","173","tin II perchlorate trihydrate","Tin(II) perchlorate trihydrate","","- Cl2 H6 O11 Sn -","- Cl2 H6 O11 Sn -","- Cl4 H12 O22 Sn2 -","2","0.333333","HB7297","Hennings, Erik; Schmidt, Horst; Köhler, Martin; Voigt, Wolfgang","Crystal structure of tin(II) perchlorate trihydrate","Acta Crystallographica Section E","2014","70","12","474","476","10.1107/S1600536814024283","","","0.71073","MoKα","","0.0381","0.0364","","","0.0915","0.0932","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240186","9.6949","0.0002","12.4192","0.0002","9.8763","0.0002","90","","94.948","0.001","90","","1184.7","0.04","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Nitro-<i>N</i>-(5-nitro-1,3-thiazol-2-yl)benzamide","","- C10 H6 N4 O5 S -","- C10 H6 N4 O5 S -","- C40 H24 N16 O20 S4 -","4","1","LH5737","Moreno-Fuquen, Rodolfo; Sánchez, Diego F.; Ellena, Javier","Crystal structure of 2-nitro-<i>N</i>-(5-nitro-1,3-thiazol-2-yl)benzamide","Acta Crystallographica Section E","2014","70","12","o1252","","10.1107/S1600536814024374","","","0.71073","MoKα","","0.0624","0.0459","","","0.1213","0.1357","","","","","","0.971","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240187","9.7816","0.0002","16.9347","0.0004","17.5319","0.0004","90","","101.096","0.001","90","","2849.84","0.11","100.1","0.1","100.1","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Trimeric bis(1-<i>tert</i>-butyl acetoacetato)zinc(II)","Hexakis(μ~2~-4-<i>tert</i>-butoxy-4-oxobut-2-en-2-olato)-1:2κ^6^<i>O</i>^2^,<i>O</i>^4^:<i>O</i>^2^;2:3κ^6^<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^4^;1:3κ^3^<i>O</i>^2^,<i>O</i>^4^:<i>O</i>^2^;3:1κ^3^<i>O</i>^2^,<i>O</i>^4^:<i>O</i>^2^-trizinc,","","- C48 H78 O18 Zn3 -","- C48 H78 O18 Zn3 -","- C96 H156 O36 Zn6 -","2","0.5","","Shtokvish, Olgerd O.; Koval, Lyudmila I.; Pekhnyo, Vasyl I.","Crystal structure of hexakis(μ~2~-4-<i>tert</i>-butoxy-4-oxobut-2-en-2-olato)trizinc","Acta Crystallographica Section E","2014","70","12","483","485","10.1107/S1600536814024337","","","0.71073","MoKα","","0.0576","0.0351","","","0.059","0.0649","","","","","","1.008","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240188","12.9207","0.0012","19.2867","0.0017","22.977","0.002","90","","98.6792","0.0018","90","","5660.2","0.9","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","{3-[3,5-Bis(2,6-dimethylphenyl)-1,2-phenylene]-1-(2,6,2'',6''-tetramethyl-1,1':3',1''-terphenyl-5'-yl)imidazol-2-ylidene}chlorido(η^6^-<i>p</i>-cymene)ruthenium(II) benzene disolvate","","- C69 H69 Cl N2 Ru -","- C69 H69 Cl N2 Ru -","- C276 H276 Cl4 N8 Ru4 -","4","1","IS5379","Sase, Shohei; Ikehara, Yuriko; Goto, Kei","Crystal structure of {3-[3,5-bis(2,6-dimethylphenyl)-1,2-phenylene]-1-(2,6,2'',6''-tetramethyl-1,1':3',1''-terphenyl-5'-yl)imidazol-2-ylidene}chlorido(η^6^-<i>p</i>-cymene)ruthenium(II) benzene disolvate","Acta Crystallographica Section E","2014","70","12","m394","","10.1107/S160053681402399X","","","0.71075","MoKα","","0.0382","0.0318","","","0.0874","0.092","","","","","","1.086","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240189","16.193","0.0015","16.193","0.0015","11.2421","0.0011","90","","90","","120","","2552.9","0.4","100","","100","","","","","","","","Synthetic","4","R -3 c :H","-R 3 2""c","167","ferric perchlorate nonahydrate","Iron(III) perchlorate nonahydrate","","- Cl3 Fe H18 O21 -","- Cl3 Fe H18 O21 -","- Cl18 Fe6 H108 O126 -","6","0.166667","PK2533","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structure of iron(III) perchlorate nonahydrate","Acta Crystallographica Section E","2014","70","12","477","479","10.1107/S1600536814024295","","","0.71073","MoKα","","0.0423","0.0414","","","0.091","0.0916","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","282068","2023-03-26","10:12:40",""
"2240190","10.8907","0.0003","10.8907","0.0003","21.4542","0.0007","90","","90","","120","","2203.71","0.11","293","2","293","2","","","","","","","","6","P 61","P 61","169","","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-4-methylbenzenesulfonohydrazide","","- C14 H13 Cl N2 O2 S -","- C14 H13 Cl N2 O2 S -","- C84 H78 Cl6 N12 O12 S6 -","6","1","","Balaji, J.; John Francis Xavier, J.; Prabu, S.; Srinivasan, P.","Crystal structure of (<i>E</i>)-<i>N</i>'-(4-chlorobenzylidene)-4-methylbenzenesulfonohydrazide: a hexagonal polymorph","Acta Crystallographica Section E","2014","70","12","o1250","o1251","10.1107/S1600536814023721","","","0.71073","MoKα","","0.0352","0.0288","","","0.0672","0.0718","","","","","","1.039","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240191","10.95564","0.00013","10.95564","0.00013","5.56326","0.00011","90","","90","","90","","667.736","0.017","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Digadolinium trirhenium pentasilicide","","- Gd2 Re3 Si5 -","- Gd2 Re3 Si5 -","- Gd8 Re12 Si20 -","4","0.25","FJ2683","Fedyna, Vitaliia; Kozak, Roksolana; Gladyshevskii, Roman","Crystal structure of the ternary silicide Gd~2~Re~3~Si~5~","Acta Crystallographica Section E","2014","70","12","469","470","10.1107/S1600536814024234","","","0.71073","MoKα","","0.0267","0.0253","","","0.0621","0.0628","","","","","","1.168","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240192","8.0688","0.0004","9.9086","0.0005","14.4041","0.0008","75.297","0.003","80.604","0.002","74.306","0.003","1066.83","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","2-(2,4-Dichlorophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde","","- C25 H15 Cl2 N O4 S -","- C25 H15 Cl2 N O4 S -","- C50 H30 Cl4 N2 O8 S2 -","2","1","CV5474","Umadevi, M.; Ramalingam, B. M.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.","Crystal structure of 2-(2,4-dichlorophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde","Acta Crystallographica Section E","2014","70","12","466","468","10.1107/S1600536814024064","","","0.71073","MoKα","","0.1113","0.048","","","0.0998","0.1263","","","","","","1.021","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240193","35.968","0.005","4.6483","0.0006","26.596","0.003","90","","129.613","0.0012","90","","3425.5","0.8","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-{12-Methyl-14-phenyl-10,13,14,16-tetraazatetracyclo[7.7.0.0^2,7^.0^11,15^]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene}propandinitrile","","- C22 H12 N6 -","- C22 H12 N6 -","- C176 H96 N48 -","8","1","SU5012","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Kashef, Hussein M. S.; Albayati, Mustafa R.","Crystal structure of 2-[12-methyl-14-phenyl-10,13,14,16-tetraazatetracyclo[7.7.0.0^2,7^.0^11,15^]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene]propandinitrile","Acta Crystallographica Section E","2014","70","12","o1244","o1245","10.1107/S1600536814024167","","","0.71073","MoKα","","0.0941","0.0534","","","0.1145","0.1364","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240194","20.034","0.004","13.057","0.003","24.979","0.005","90","","90","","90","","6534","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[pentakis[μ~2~-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]dicopper(II)] tetranitrate tetrahydrate]","","- C50 H78 Cu2 N24 O16 -","- C50 H78 Cu2 N22 O10 -","- C200 H312 Cu8 N88 O40 -","4","0.5","","Wu, Fayuan; Shang, Mengxiang; Li, Shihua; Zhao, Yu","Crystal structure of a Cu^II^ complex with a bridging ligand: poly[[pentakis[μ~2~-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]dicopper(II)] tetranitrate tetrahydrate]","Acta Crystallographica Section E","2014","70","12","503","506","10.1107/S1600536814024477","","","0.71073","MoKα","","0.1151","0.0601","","","0.1446","0.1724","","","","","","1.027","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240195","25.2516","0.0019","8.4656","0.0005","12.4732","0.001","90","","117.446","0.003","90","","2366.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(3-Carboxypropanamido)‒2-hydroxybenzoic acid monohydrate","","- C11 H13 N O7 -","- C11 H13 N O7 -","- C88 H104 N8 O56 -","8","1","HB7310","Tahir, Muhammad Nawaz; Ahmed, Muhammad Naeem; Butt, Arshad Farooq; Shad, Hazoor Ahmad","Crystal structure of 4-(3-carboxypropanamido)-2-hydroxybenzoic acid monohydrate","Acta Crystallographica Section E","2014","70","12","o1254","o1255","10.1107/S1600536814024581","","","0.71073","MoKα","","0.0762","0.0466","","","0.1065","0.1218","","","","","","1.022","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240196","6.772","0.002","6.929","0.002","8.949","0.003","104.916","0.005","108.069","0.004","104.306","0.004","360.5","0.19","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Poly[μ~6~-adipato-diaquadi-μ~2~-oxalato-didysprosium(III)]","","- C10 H12 Dy2 O14 -","- C10 H12 Dy2 O14 -","- C10 H12 Dy2 O14 -","1","0.5","","Li, Zhi-Feng; Zhang, Yi-Chao; Hu, Xiao-Qin; Wang, Chun-Xiang","Crystal structure of poly[μ~6~-adipato-diaquadi-μ~2~-oxalato-didysprosium(III)]","Acta Crystallographica Section E","2014","70","12","m399","m400","10.1107/S1600536814024544","","","0.71073","MoKα","","0.0224","0.0213","","","0.0562","0.0567","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2240197","13.797","0.003","9.656","0.0019","14.174","0.003","90","","117.8","0.03","90","","1670.4","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)palladium(II) dichloride","","- C12 H16 Cl2 N8 Pd -","- C12 H16 Cl2 N8 Pd -","- C48 H64 Cl8 N32 Pd4 -","4","0.5","","Wagner, Thomas; Christiansen, Nena; Hrib, Cristian G.; Kaufmann, Dieter E.; Edelmann, Frank T.","Unexpected formation and crystal structure of tetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)palladium(II) dichloride","Acta Crystallographica Section E","2014","70","12","486","488","10.1107/S160053681402460X","","","0.71073","MoKα","","0.044","0.039","","","0.0917","0.0943","","","","","","1.123","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240198","7.906","0.004","11.306","0.005","13.504","0.007","90","","90","","90","","1207.1","1","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>S</i>)-5,5-Dimethyl-2-(pyridin-2-yl)-1,3-thiazolidine-4-carboxylic acid","","- C11 H14 N2 O2 S -","- C11 H14 N2 O2 S -","- C44 H56 N8 O8 S4 -","4","1","","Laskar, Payel; Kuwamura, Naoto; Yoshinari, Nobuto; Konno, Takumi","Crystal structure of (2<i>S</i>,4<i>S</i>)-5,5-dimethyl-2-(pyridin-2-yl)-1,3-thiazolidine-4-carboxylic acid","Acta Crystallographica Section E","2014","70","12","o1264","","10.1107/S1600536814024854","","","0.71075","MoKα","","0.029","0.0281","","","0.0737","0.0742","","","","","","1.102","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240199","11.7046","0.0006","16.7871","0.0008","10.4922","0.0005","90","","91.95","0.001","90","","2060.38","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[silver(I)-μ-<i>N</i>-(pyridin-4-ylmethyl)pyridine-3-amine-κ^2^<i>N</i>:<i>N</i>'] nitrate dimethyl sulfoxide disolvate]","","- C15 H23 Ag N4 O5 S2 -","- C15 H23 Ag N4 O5 S2 -","- C60 H92 Ag4 N16 O20 S8 -","4","1","","Moon, Bokhee; Jeon, Youngeun; Moon, Suk-Hee; Park, Ki-Min","Crystal structure of a one-dimensional helical-type silver(I) coordination polymer: <i>catena</i>-poly[[silver(I)-μ-<i>N</i>-(pyridin-4-ylmethyl)pyridine-3-amine-κ^2^<i>N</i>:<i>N</i>'] nitrate dimethyl sulfoxide disolvate]","Acta Crystallographica Section E","2014","70","12","507","509","10.1107/S1600536814024817","","","0.71073","MoKα","","0.0352","0.0276","","","0.0708","0.0776","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240200","14.4457","0.0007","14.7091","0.0006","16.5663","0.0008","90","","101.858","0.0017","90","","3444.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Di-μ-chloroacetato-hexakis(dimethylformamide)tetrakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium dimethylformamide disolvate","","- C56 H76 Cl2 Mn4 N12 Na2 O24 -","- C56 H76 Cl2 Mn4 N12 Na2 O24 -","- C112 H152 Cl4 Mn8 N24 Na4 O48 -","2","0.5","PK2534","Daly, Connor I.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structure of di-μ-chloroacetato-hexakis(dimethylformamide)tetrakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium dimethylformamide disolvate","Acta Crystallographica Section E","2014","70","12","494","498","10.1107/S1600536814024441","","","0.71073","MoKα","","0.0654","0.0462","","","0.0941","0.1015","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240201","5.4886","0.0011","7.8518","0.0015","11.574","0.002","99.663","0.016","90.366","0.016","90.244","0.016","491.69","0.16","200","","200","","","","","","","","","4","P -1","-P 1","2","calcium perchlorate tetrahydrate","Calcium perchlorate tetrahydrate","","- Ca Cl2 H8 O12 -","- Ca Cl2 H8 O12 -","- Ca2 Cl4 H16 O24 -","2","1","WM5079","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of Ca(ClO~4~)~2~·4H~2~O and Ca(ClO~4~)~2~·6H~2~O","Acta Crystallographica Section E","2014","70","12","489","493","10.1107/S1600536814024532","","","0.71073","MoKα","","0.0323","0.0312","","","0.0881","0.0889","","","","","","1.199","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240202","10.9603","0.0004","7.9667","0.0007","26.7735","0.0018","90","","90","","90","","2337.8","0.3","180","","180","","","","","","","","","4","P c a 21","P 2c -2ac","29","calcium perchlorate hexahydrate","Calcium perchlorate hexahydrate","","- Ca Cl2 H12 O14 -","- Ca Cl2 H12 O14 -","- Ca8 Cl16 H96 O112 -","8","2","","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of Ca(ClO~4~)~2~·4H~2~O and Ca(ClO~4~)~2~·6H~2~O","Acta Crystallographica Section E","2014","70","12","489","493","10.1107/S1600536814024532","","","0.71073","MoKα","","0.0471","0.042","","","0.1073","0.1127","","","","","","1.085","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240203","9.4738","0.0014","13.662","0.002","14.119","0.002","90","","98.314","0.003","90","","1808.2","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1,3,4,5-tetramethyl-1<i>H</i>-imidazole-2(3<i>H</i>)-thione-κ<i>S</i>]chloridocopper(I)","","- C14 H24 Cl Cu N4 S2 -","- C14 H24 Cl Cu N4 S2 -","- C56 H96 Cl4 Cu4 N16 S8 -","4","1","ZQ2228","Flörke, Ulrich; Ahmida, Aziza; Egold, Hans; Henkel, Gerald","Crystal structure of bis[1,3,4,5-tetramethyl-1<i>H</i>-imidazole-2(3<i>H</i>)-thione-κ<i>S</i>]chloridocopper(I)","Acta Crystallographica Section E","2014","70","12","m397","m398","10.1107/S1600536814024404","","","0.71073","MoKα","","0.0888","0.0472","","","0.0816","0.0912","","","","","","0.849","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240204","8.9787","0.0006","13.487","0.0012","14.7875","0.001","90","","95.448","0.005","90","","1782.6","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","strontium perchlorate trihydrate","Di-μ-aqua-aquadi-μ-perchlorato-strontium","","- Cl2 H6 O11 Sr -","- Cl2 H6 O11 Sr -","- Cl16 H48 O88 Sr8 -","8","2","WM5080","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of Sr(ClO~4~)~2~·3H~2~O, Sr(ClO~4~)~2~·4H~2~O and Sr(ClO~4~)~2~·9H~2~O","Acta Crystallographica Section E","2014","70","12","510","514","10.1107/S1600536814024726","","","0.71073","MoKα","","0.043","0.0243","","","0.0448","0.0459","","","","","","1.091","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240205","7.1571","0.0006","7.3942","0.0006","10.0231","0.0009","86.674","0.007","86.291","0.007","72.027","0.006","503.09","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","strontium perchlorate tetrahydrate","Di-μ-aqua-bis(triaquadiperchloratostrontium)","","- Cl2 H8 O12 Sr -","- Cl2 H8 O12 Sr -","- Cl4 H16 O24 Sr2 -","2","1","","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of Sr(ClO~4~)~2~·3H~2~O, Sr(ClO~4~)~2~·4H~2~O and Sr(ClO~4~)~2~·9H~2~O","Acta Crystallographica Section E","2014","70","12","510","514","10.1107/S1600536814024726","","","0.71073","MoKα","","0.0287","0.0275","","","0.0753","0.076","","","","","","1.096","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240206","18.7808","0.0015","6.86","0.003","11.1884","0.0016","90","","90","","90","","1441.5","0.7","100","","100","","","","","","","","","4","C m c m","-C 2c 2","63","strontium perchlorate nonahydrate","Heptaaquadiperchloratostrontium dihydrate","","- Cl2 H18 O17 Sr -","- Cl2 H18 O17 Sr -","- Cl8 H72 O68 Sr4 -","4","0.25","","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of Sr(ClO~4~)~2~·3H~2~O, Sr(ClO~4~)~2~·4H~2~O and Sr(ClO~4~)~2~·9H~2~O","Acta Crystallographica Section E","2014","70","12","510","514","10.1107/S1600536814024726","","","0.71073","MoKα","","0.0504","0.0478","","","0.1323","0.1337","","","","","","1.156","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240207","5.498","0.001","30.432","0.0017","6.7086","0.0019","90","","113.54","0.04","90","","1029","0.5","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-Benzyloxypyrimidin-5-yl)boronic acid","","- C11 H11 B N2 O3 -","- C11 H11 B N2 O3 -","- C44 H44 B4 N8 O12 -","4","1","ZL2604","Durka, Krzysztof; Kliś, Tomasz; Serwatowski, Janusz","Crystal structure of (2-benzyloxypyrimidin-5-yl)boronic acid","Acta Crystallographica Section E","2014","70","12","o1259","o1260","10.1107/S1600536814024519","","","0.71073","MoKα","","0.084","0.0533","","","0.12","0.1354","","","","","","1.027","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240208","6.7708","0.0011","10.5761","0.0017","11.9643","0.0017","88.239","0.009","81.123","0.009","79.14","0.009","831.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-{1-[(1-Allyl-1<i>H</i>-indazol-6-yl)amino]ethylidene}-6-methyl-2<i>H</i>-pyran-2,4(3<i>H</i>)-dione","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C36 H34 N6 O6 -","2","1","HB7311","El Ghozlani, Mohamed; Rakib, El Mostapha; Gamouh, Ahmed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 3-{1-[(1-allyl-1<i>H</i>-indazol-6-yl)amino]ethylidene}-6-methyl-2<i>H</i>-pyran-2,4(3<i>H</i>)-dione","Acta Crystallographica Section E","2014","70","12","o1256","","10.1107/S1600536814024520","","","0.71073","MoKα","","0.0613","0.0438","","","0.1186","0.1313","","","","","","1.037","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240209","7.0043","0.0005","7.527","0.0005","9.5396","0.0006","106.757","0.004","96.592","0.004","105.204","0.004","454.75","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2-(4-Methylbenzylidene)malononitrile","","- C11 H8 N2 -","- C11 H8 N2 -","- C22 H16 N4 -","2","1","SU5017","Amiri, Ouafa; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 2-(4-methylbenzylidene)malononitrile","Acta Crystallographica Section E","2014","70","12","o1263","","10.1107/S1600536814024660","","","0.71073","MoKα","","0.0591","0.0456","","","0.1204","0.1324","","","","","","1.061","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240210","6.1605","0.0004","11.849","0.0008","15.3861","0.0011","90","","90","","90","","1123.12","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>,5<i>S</i>)-4-Methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C44 H52 N4 O12 S4 -","4","1","HB7309","Silveira, Gustavo Pozza; da Silva, Vinicius Flores; Oliver, Allen G.","Crystal structure of (4<i>R</i>,5<i>S</i>)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2014","70","12","o1257","o1258","10.1107/S1600536814024702","","","0.71073","Mo-Kα","","0.0311","0.0274","","","0.0685","0.0704","","","","","","1.026","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240211","7.2909","0.0005","9.7971","0.0005","15.0912","0.001","90","","103.375","0.005","90","","1048.72","0.12","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Zinc chloride dihemihydrate","Pentaaqua-μ-chlorido-trichloridodizinc","","- Cl2 H5 O2.5 Zn -","- Cl4 H10 O5 Zn2 -","- Cl16 H40 O20 Zn8 -","4","1","WM5081","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of ZnCl~2~·2.5H~2~O, ZnCl~2~·3H~2~O and ZnCl~2~·4.5H~2~O","Acta Crystallographica Section E","2014","70","12","515","518","10.1107/S1600536814024738","","","0.71073","MoKα","","0.0279","0.0181","","","0.0342","0.0353","","","","","","1.014","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240212","6.4339","0.0005","6.5202","0.0005","14.2769","0.0011","90.91","0.006","99.146","0.006","95.574","0.006","588.21","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","Zinc chloride trihydrate","Dexaaquazinc tetrachloridozinc","","- Cl4 H12 O6 Zn2 -","- Cl4 H12 O6 Zn2 -","- Cl8 H24 O12 Zn4 -","2","1","","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of ZnCl~2~·2.5H~2~O, ZnCl~2~·3H~2~O and ZnCl~2~·4.5H~2~O","Acta Crystallographica Section E","2014","70","12","515","518","10.1107/S1600536814024738","","","0.71073","MoKα","","0.0292","0.0285","","","0.0879","0.0887","","","","","","1.02","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2240213","6.9795","0.0003","12.5421","0.0006","18.1849","0.0011","90","","90","","90","","1591.86","0.14","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Zinc chloride 4.5-hydrate","Hexaaquazinc tetrachloridozinc trihydrate","","- Cl2 H9 O4.5 Zn -","- Cl4 H18 O9 Zn2 -","- Cl16 H72 O36 Zn8 -","4","1","","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of ZnCl~2~·2.5H~2~O, ZnCl~2~·3H~2~O and ZnCl~2~·4.5H~2~O","Acta Crystallographica Section E","2014","70","12","515","518","10.1107/S1600536814024738","","","0.71073","MoKα","","0.0229","0.0211","","","0.052","0.0525","","","","","","0.991","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240214","5.0279","0.0004","8.9678","0.0007","15.9913","0.0013","80.571","0.002","83.874","0.002","88.371","0.002","707.19","0.1","294","","294","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-4-{2-[4-(Allyloxy)phenyl]diazenyl}benzoic acid","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C32 H28 N4 O6 -","2","1","SU2790","Rahman, Md. Lutfor; Mohd. Yusoff, Mashitah; Ismail, Jamil; Kwong, Huey Chong; Quah, Ching Kheng","Crystal structure of (<i>E</i>)-4-{2-[4-(allyloxy)phenyl]diazenyl}benzoic acid","Acta Crystallographica Section E","2014","70","12","499","502","10.1107/S1600536814023745","","","0.71073","MoKα","","0.0604","0.0426","","","0.1193","0.1377","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240215","23.4258","0.001","5.6473","0.0001","9.2464","0.0003","90","","93.008","0.001","90","","1221.54","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-bromo-N-(2-hydroxyphenyl)benzamide","4-Bromo-<i>N</i>-(2-hydroxyphenyl)benzamide","","- C13 H10 Br N O2 -","- C13 H10 Br N O2 -","- C52 H40 Br4 N4 O8 -","4","1","SU5019","Moreno-Fuquen, Rodolfo; Melo, Vanessa; Ellena, Javier","Crystal structure of 4-bromo-<i>N</i>-(2-hydroxyphenyl)benzamide","Acta Crystallographica Section E","2014","70","12","o1261","o1262","10.1107/S1600536814024696","","","0.71073","MoKα","","0.0827","0.0519","","","0.1433","0.168","","","","","","0.987","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240216","8.8374","0.0003","12.6707","0.0004","14.7497","0.0004","83.401","0.002","88.788","0.003","81.078","0.003","1620.81","0.09","180","0.1","180","","","","","","","","","5","P -1","-P 1","2","","Bis(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')nickel(II) dicyanidoaurate(I)","","- C34 H22 Au2 N10 Ni -","- C34 H22 Au2 N10 Ni -","- C68 H44 Au4 N20 Ni2 -","2","1","","White, Frankie; Sykora, Richard E.","Crystal structure of bis(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')nickel(II) dicyanidoaurate(I)","Acta Crystallographica Section E","2014","70","12","519","521","10.1107/S1600536814024672","","","0.7107","MoKα","","0.0308","0.0267","","","0.0672","0.0701","","","","","","1.059","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240217","20.0917","0.0008","5.9503","0.0002","21.0198","0.0009","90","","115.902","0.003","90","","2260.51","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(3-<i>tert</i>-butylpyridine-κ<i>N</i>)(4-<i>tert</i>-butylpyridine-κ<i>N</i>)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","","- C20 H26 Cd N4 S2 -","- C20 H26 Cd N4 S2 -","- C80 H104 Cd4 N16 S8 -","4","1","PK2535","Werner, Julia; Reinert, Thorben; Jess, Inke; Näther, Christian","Crystal structure of <i>catena</i>-poly[[(3-<i>tert</i>-butylpyridine-κ<i>N</i>)(4-<i>tert</i>-butylpyridine-κ<i>N</i>)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","Acta Crystallographica Section E","2014","70","12","m403","m404","10.1107/S1600536814024647","","","0.71073","MoKα","","0.0691","0.0457","","","0.0779","0.084","","","","","","1.14","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240218","9.1491","0.0007","10.3099","0.0008","11.9347","0.001","90","","111.587","0.002","90","","1046.8","0.14","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>Z</i>)-3-{3-(4-Chlorophenyl)-2-[(4-chlorophenyl)imino]-2,3-dihydrothiazol-4-yl}-2<i>H</i>-chromen-2-one","","- C24 H14 Cl2 N2 O2 S -","- C24 H14 Cl2 N2 O2 S -","- C48 H28 Cl4 N4 O4 S2 -","2","1","ZS2320","Kayalvizhi, M.; Vasuki, G.; Kumar, R. Raj; Rao, V. Rajeswar","Crystal structure of (<i>Z</i>)-3-{3-(4-chlorophenyl)-2-[(4-chlorophenyl)imino]-2,3-dihydrothiazol-4-yl}-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2014","70","12","o1268","o1269","10.1107/S1600536814024775","","","0.71073","MoKα","","0.0629","0.0341","","","0.0646","0.0754","","","","","","1.026","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240219","16.2578","0.0004","6.4799","0.0001","19.2475","0.0004","90","","112.453","0.001","90","","1873.99","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Fenpropathrin","Cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetramethylcyclopropanecarboxylate","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","HG5417","Kang, Gihaeng; Jeon, Youngeun; Lee, Sangjin; Kim, Tae Ho","Crystal structure of fenpropathrin","Acta Crystallographica Section E","2014","70","12","o1265","","10.1107/S160053681402474X","","","0.71073","MoKα","","0.0463","0.0394","","","0.0996","0.1046","","","","","","1.047","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240220","17.824","0.002","7.1453","0.0006","6.7243","0.0007","90","","90.321","0.009","90","","856.38","0.15","200","1","200","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ammonium phenoxyacetate","Ammonium phenoxyacetate","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C32 H44 N4 O12 -","4","1","SU5018","Smith, Graham","Two-dimensional hydrogen-bonded polymers in the crystal structures of the ammonium salts of phenoxyacetic acid, (4-fluorophenoxy)acetic acid and (4-chloro-2-methylphenoxy)acetic acid","Acta Crystallographica Section E","2014","70","12","528","532","10.1107/S160053681402488X","","","0.71073","MoKα","","0.0886","0.0633","","","0.1467","0.1626","","","","","","1.095","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240221","18.386","0.002","7.1223","0.0006","6.7609","0.0006","90","","93.399","0.008","90","","883.79","0.14","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ammonium 4-fluorophenoxyacetate","Ammonium (4-fluorophenoxy)acetate","","- C8 H10 F N O3 -","- C8 H10 F N O3 -","- C32 H40 F4 N4 O12 -","4","1","SU5018","Smith, Graham","Two-dimensional hydrogen-bonded polymers in the crystal structures of the ammonium salts of phenoxyacetic acid, (4-fluorophenoxy)acetic acid and (4-chloro-2-methylphenoxy)acetic acid","Acta Crystallographica Section E","2014","70","12","528","532","10.1107/S160053681402488X","","","0.71073","MoKα","","0.0786","0.0533","","","0.1054","0.1162","","","","","","1.101","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240222","38.0396","0.0009","4.456","0.0008","12.944","0.005","90","","104.575","0.005","90","","2123.5","0.9","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ammonium (4-chloro-2-methylphenoxy)acetate hemihydrate","Ammonium (4-chloro-2-methylphenoxy)acetate hemihydrate","","- C9 H13 Cl N O3.5 -","- C9 H13 Cl N O3.5 -","- C72 H104 Cl8 N8 O28 -","8","1","SU5018","Smith, Graham","Two-dimensional hydrogen-bonded polymers in the crystal structures of the ammonium salts of phenoxyacetic acid, (4-fluorophenoxy)acetic acid and (4-chloro-2-methylphenoxy)acetic acid","Acta Crystallographica Section E","2014","70","12","528","532","10.1107/S160053681402488X","","","0.71073","MoKα","","0.0453","0.0356","","","0.0861","0.0911","","","","","","1.032","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240223","7.342","0.007","8.807","0.004","14.861","0.005","75.49","0.03","76.88","0.05","70.51","0.05","866.1","1","100","","100","","","","","","","","","5","P -1","-P 1","2","","(3,5-Dichloro-2-hydroxyphenyl){1-[(naphthalen-1-yl)carbonyl]-1<i>H</i>-pyrazol-4-yl}methanone","","- C21 H12 Cl2 N2 O3 -","- C21 H12 Cl2 N2 O3 -","- C42 H24 Cl4 N4 O6 -","2","1","","Ishikawa, Yoshinobu; Motohashi, Yuya","Crystal structure of (3,5-dichloro-2-hydroxyphenyl){1-[(naphthalen-1-yl)carbonyl]-1<i>H</i>-pyrazol-4-yl}methanone","Acta Crystallographica Section E","2014","70","12","522","524","10.1107/S1600536814024684","","","0.71069","MoKα","","","0.059","","","","0.1631","","","","","","1.006","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240224","14.1161","0.0009","18.0874","0.0012","23.1986","0.0016","90","","90","","90","","5923.1","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Bis[2-(diphenylphosphinothioyl)phenyl] ether","{2-[2-(Diphenylphosphinothioyl)phenoxy]phenyl}diphenylphosphanethione","","- C36 H28 O P2 S2 -","- C36 H28 O P2 S2 -","- C288 H224 O8 P16 S16 -","8","1","","Janzen, Daron E.; Kooyman, Arianna M.; Lange, Kayla A.","Crystal structures of bis[2-(diphenylphosphinothioyl)phenyl] ether and bis{2-[diphenyl(selanylidene)phosphanyl]phenyl} ether","Acta Crystallographica Section E","2014","70","12","536","540","10.1107/S1600536814023988","","","0.71075","MoKα","","0.065","0.0453","","","0.094","0.1012","","","","","","1.066","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240225","14.0964","0.0015","13.0854","0.0013","17.5918","0.0018","90","","109.226","0.008","90","","3064","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis{2-[Diphenyl(selanylidene)phosphanyl]phenyl} ether","(2-{2-[Diphenyl(selanylidene)phosphanyl]phenoxy}phenyl)diphenyl-λ^5^-phosphaneselone","","- C36 H28 O P2 Se2 -","- C36 H28 O P2 Se2 -","- C144 H112 O4 P8 Se8 -","4","0.5","","Janzen, Daron E.; Kooyman, Arianna M.; Lange, Kayla A.","Crystal structures of bis[2-(diphenylphosphinothioyl)phenyl] ether and bis{2-[diphenyl(selanylidene)phosphanyl]phenyl} ether","Acta Crystallographica Section E","2014","70","12","536","540","10.1107/S1600536814023988","","","0.71075","MoKα","","0.0424","0.0321","","","0.0624","0.0659","","","","","","1.066","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240226","4.6205","0.0002","21.9423","0.001","21.1737","0.001","90","","93.263","0.002","90","","2143.2","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Propaquizafop","2-(Propan-2-ylideneaminooxy)ethyl (<i>R</i>)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate","","- C22 H22 Cl N3 O5 -","- C22 H22 Cl N3 O5 -","- C88 H88 Cl4 N12 O20 -","4","2","HG5418","Jeon, Youngeun; Kim, Jineun; Lee, Sangjin; Kim, Tae Ho","Crystal structure of propaquizafop","Acta Crystallographica Section E","2014","70","12","o1266","o1267","10.1107/S1600536814024751","","","0.71073","MoKα","","0.0883","0.0537","","","0.0925","0.1031","","","","","","0.992","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240227","7.6158","0.0005","16.2007","0.0014","10.6784","0.0007","90","","90.129","0.008","90","","1317.51","0.17","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[(2,2'-bipyridine)manganese(II)]-di-μ-thiocyanato]","","- C12 H8 Mn N4 S2 -","- C12 H8 Mn N4 S2 -","- C48 H32 Mn4 N16 S8 -","4","0.5","WM5088","Suckert, Stefan; Wöhlert, Susanne; Jess, Inke; Näther, Christian","Crystal structure of poly[[(2,2'-bipyridine)manganese(II)]-di-μ-thiocyanato]","Acta Crystallographica Section E","2014","70","12","m401","m402","10.1107/S1600536814024490","","","0.71073","MoKα","","0.0322","0.0256","","","0.0636","0.0654","","","","","","1.101","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240228","8.8509","0.0002","9.6364","0.0003","12.909","0.0004","72.779","0.002","81.033","0.001","76.457","0.001","1017.97","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Benzylamino-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5<i>H</i>-cyclohepta[<i>b</i>]pyridine-3-carbonitrile","","- C25 H25 N3 O -","- C25 H25 N3 O -","- C50 H50 N6 O2 -","2","1","SU5014","Nagalakshmi, R. A.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structure of 2-benzylamino-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5<i>H</i>-cyclohepta[<i>b</i>]pyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","12","525","527","10.1107/S1600536814024878","","","0.71073","MoKα","","0.0433","0.0348","","","0.0897","0.0956","","","","","","1.053","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240229","22.1602","0.0006","12.973","0.0003","24.7883","0.0006","90","","103.933","0.0012","90","","6916.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tricarbonyl(<i>N</i>-diphenylphosphanyl-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphonous diamide-κ^2^<i>P</i>,<i>P</i>')cobalt(I) tetracarbonylcobaltate(-I) toluene 0.25-solvate","","- C32.75 H32 Co2 N2 O7 P2 -","- C32.75 H32 Co2 N2 O7 P2 -","- C262 H256 Co16 N16 O56 P16 -","8","2","RZ5139","Dura, Laura; Spannenberg, Anke; Beweries, Torsten","Crystal structure of tricarbonyl(<i>N</i>-diphenylphosphanyl-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphonous diamide-κ^2^<i>P</i>,<i>P</i>')cobalt(I) tetracarbonylcobaltate({-}I) toluene 0.25-solvate","Acta Crystallographica Section E","2014","70","12","533","535","10.1107/S1600536814024908","","","1.54178","CuKα","","0.0431","0.0381","","","0.0964","0.0997","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240230","8.6099","0.0002","9.3435","0.0002","14.5279","0.0004","91.016","0.001","104.049","0.001","116.004","0.001","1008.6","0.04","115","","115","","","","","","","","","7","P -1","-P 1","2","","Di-μ-iodido-bis[(dimethyl sulfoxide-κ<i>O</i>)(triphenylphosphane-κ<i>P</i>)copper(I)]","","- C40 H42 Cu2 I2 O2 P2 S2 -","- C40 H42 Cu2 I2 O2 P2 S2 -","- C40 H42 Cu2 I2 O2 P2 S2 -","1","0.5","","Kinghat, Rodolphe; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.","Crystal structure of di-μ-iodido-bis[(dimethyl sulfoxide-κ<i>O</i>)(triphenylphosphane-κ<i>P</i>)copper(I)]","Acta Crystallographica Section E","2014","70","12","547","549","10.1107/S1600536814025203","","","0.71073","MoKα","","0.0558","0.0347","","","0.0705","0.0773","","","","","","0.989","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240231","10.253","0.0014","10.253","0.0014","8.425","0.0017","90","","90","","120","","767","0.2","123","1","123","1","","","","","","","","5","P -3","-P 3","147","","Iodidotris(tetrahydrofuran-κ<i>O</i>)lithium","","- C12 H24 I Li O3 -","- C12 H24 I Li O3 -","- C24 H48 I2 Li2 O6 -","2","0.333333","WM5091","Gärtner, Stefanie; Gärtner, Tobias; Gschwind, Ruth-Maria; Korber, Nikolaus","About the polymorphism of [Li(C~4~H~8~O)~3~]I: crystal structures of trigonal and tetragonal polymorphs","Acta Crystallographica Section E","2014","70","12","555","558","10.1107/S160053681402529X","","","0.71073","MoKα","","0.0399","0.0287","","","0.0651","0.0672","","","","","","1.01","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240232","18.288","0.003","18.288","0.003","18.511","0.004","90","","90","","90","","6191","2","123","1","123","1","","","","","","","","5","I 41 c d","I 4bw -2c","110","","Iodidotris(tetrahydrofuran-κ<i>O</i>)lithium","","- C12 H24 I Li O3 -","- C12 H24 I Li O3 -","- C192 H384 I16 Li16 O48 -","16","1","","Gärtner, Stefanie; Gärtner, Tobias; Gschwind, Ruth-Maria; Korber, Nikolaus","About the polymorphism of [Li(C~4~H~8~O)~3~]I: crystal structures of trigonal and tetragonal polymorphs","Acta Crystallographica Section E","2014","70","12","555","558","10.1107/S160053681402529X","","","0.71073","MoKα","","0.0397","0.0269","","","0.0559","0.058","","","","","","0.953","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240233","9.5636","0.0019","10.63","0.002","23.708","0.006","90","","112.82","0.03","90","","2221.5","1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,6-Bis[(<i>E</i>)-4-bromostyryl]-2-(butylsulfanyl)pyrimidine","","- C24 H22 Br2 N2 S -","- C24 H22 Br2 N2 S -","- C96 H88 Br8 N8 S4 -","4","1","","Yu, Wang; Song, Jingbao; Wang, Aijian","Crystal structure of 4,6-bis[(<i>E</i>)-4-bromostyryl]-2-(butylsulfanyl)pyrimidine","Acta Crystallographica Section E","2014","70","12","o1282","","10.1107/S1600536814024714","","","0.71073","MoKα","","0.035","0.0296","","","0.0638","0.066","","","","","","1.039","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240234","10.6","0.01","10.6","0.01","7.03","0.01","90","","90","","90","","789.9","1.5","200","2","200","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Tetrakis(pyridin-2-yl)methane","Tetrakis(pyridin-2-yl)methane","","- C21 H16 N4 -","- C21 H16 N4 -","- C42 H32 N8 -","2","0.25","PK2537","Matsumoto, Kouzou; Kannami, Masaki; Fuyuhiro, Akira; Oda, Masaji","Crystal structure of a second polymorph of tetrakis(pyridin-2-yl)methane","Acta Crystallographica Section E","2014","70","12","o1277","o1278","10.1107/S1600536814025057","","","0.71075","MoKα","","0.037","0.036","","","0.089","0.09","","","","","","1.07","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240235","9.579","0.0007","9.619","0.0009","18.55","0.0012","90","","101.527","0.005","90","","1674.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaqua(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')iron(II) sulfate","","- C12 H20 Fe N2 O8 S -","- C12 H20 Fe N2 O8 S -","- C48 H80 Fe4 N8 O32 S4 -","4","1","VN2087","Belamri, Yamine; Setifi, Fatima; Francuski, Bojana M.; Novaković, Sladjana B.; Zouaoui, Setifi","Crystal structure of tetraaqua(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')iron(II) sulfate","Acta Crystallographica Section E","2014","70","12","544","546","10.1107/S1600536814024982","","","0.71073","MoKα","","0.0958","0.0654","","","0.183","0.1957","","","","","","1.08","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240236","10.5944","0.0014","26.529","0.004","10.4286","0.0014","90","","99.675","0.002","90","","2889.4","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","14156a","(1<i>S</i>,2<i>R</i>,6<i>R</i>,7<i>R</i>,8<i>S</i>,12<i>S</i>)-4,10,17-Triphenyl-15-thia-4,10-diazapentacyclo[5.5.5.0^1,16^.0^2,6^.0^8,12^]heptadeca-13,16-diene-3,5,9,11-tetrone <i>p</i>-xylene hemisolvate","","- C36 H27 N2 O4 S -","- C36 H27 N2 O4 S -","- C144 H108 N8 O16 S4 -","4","1","SU5020","Noland, Wayland E.; Kroll, Neil J.; Huisenga, Matthew P.; Yue, Ruixian A.; Lang, Simon B.; Klein, Nathan D.; Tritch, Kenneth J.","Crystal structure of (1<i>S</i>,2<i>R</i>,6<i>R</i>,7<i>R</i>,8<i>S</i>,12<i>S</i>)-4,10,17-triphenyl-15-thia-4,10-diazapentacyclo[5.5.5.0^1,16^.0^2,6^.0^8,12^]heptadeca-13,16-diene-3,5,9,11-tetrone <i>p</i>-xylene hemisolvate","Acta Crystallographica Section E","2014","70","12","550","554","10.1107/S1600536814025094","","","0.71073","MoKα","","0.0454","0.0399","","","0.1049","0.1091","","","","","","0.995","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240237","7.9309","0.0014","15.335","0.003","6.7158","0.0012","90","","90","","90","","816.8","0.3","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","1-Methyl-4-methylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","","- C7 H8 N4 S -","- C7 H8 N4 S -","- C28 H32 N16 S4 -","4","0.5","TK5348","El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 1-methyl-4-methylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","Acta Crystallographica Section E","2014","70","12","o1281","","10.1107/S1600536814025239","","","0.71073","MoKα","","0.0517","0.0423","","","0.1173","0.1287","","","","","","1.088","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240238","11.1447","0.0014","29.694","0.004","11.8597","0.0014","90","","103.941","0.004","90","","3809.1","0.8","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[tris(acetato-κ^2^<i>O</i>,<i>O</i>')(μ~3~-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)tetrakis(μ~2~-acetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>:<i>O</i>')bis(benzene-1,2-diamine-κ<i>N</i>)tetralead(II)]","","- C14 H20 N2 O8 Pb2 -","- C14 H20 N2 O8 Pb2 -","- C112 H160 N16 O64 Pb16 -","8","2","ZL2608","Geiger, David K.; Parsons, Dylan E.; Zick, Patricia L.","Crystal structures of three lead(II) acetate-bridged diaminobenzene coordination polymers","Acta Crystallographica Section E","2014","70","12","566","572","10.1107/S1600536814025380","","","0.71073","MoKa","","0.0741","0.0419","","","0.0799","0.0926","","","","","","0.959","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2240239","7.3623","0.001","7.6177","0.001","13.1413","0.0017","89.762","0.004","76.405","0.004","66.691","0.004","654.63","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Poly[acetato-κ^2^<i>O</i>,<i>O</i>')(μ~3~-acetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>:<i>O</i>')(4-chlorobenzene-1,2-diamine-κ<i>N</i>)lead(II)]","","- C10 H13 Cl N2 O4 Pb -","- C10 H13 Cl N2 O4 Pb -","- C20 H26 Cl2 N4 O8 Pb2 -","2","1","ZL2608","Geiger, David K.; Parsons, Dylan E.; Zick, Patricia L.","Crystal structures of three lead(II) acetate-bridged diaminobenzene coordination polymers","Acta Crystallographica Section E","2014","70","12","566","572","10.1107/S1600536814025380","","","0.71073","MoKa","","0.0442","0.0375","","","0.0939","0.0995","","","","","","1.037","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240240","7.3724","0.0008","7.6349","0.0008","13.4069","0.0015","88.839","0.003","78.33","0.003","66.035","0.003","673.71","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Poly[(acetato-κ^2^<i>O</i>,<i>O</i>')(μ~3~-acetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>:<i>O</i>')(3,4-diaminobenzonitrile-κ<i>N</i>)lead(II)]","","- C11 H13 N3 O4 Pb -","- C11 H13 N3 O4 Pb -","- C22 H26 N6 O8 Pb2 -","2","1","ZL2608","Geiger, David K.; Parsons, Dylan E.; Zick, Patricia L.","Crystal structures of three lead(II) acetate-bridged diaminobenzene coordination polymers","Acta Crystallographica Section E","2014","70","12","566","572","10.1107/S1600536814025380","","","0.71073","MoKa","","0.0477","0.0413","","","0.1236","0.1451","","","","","","1.137","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240241","6.867","0.005","10.121","0.004","16.497","0.006","90","","90","","90","","1146.6","1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Piperidinium 4-nitrophenolate","","- C11 H16 N2 O3 -","- C11 H16 N2 O3 -","- C44 H64 N8 O12 -","4","1","SU5022","Sowmya, N. Swarna; Sampathkrishnan, S.; Sudhahar, S.; Chakkaravarthi, G.; Kumar, R. Mohan","Crystal structure of piperidinium 4-nitrophenolate","Acta Crystallographica Section E","2014","70","12","559","561","10.1107/S1600536814025306","","","0.71073","MoKα","","0.0396","0.0347","","","0.0877","0.0912","","","","","","1.041","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240242","5.6184","0.0004","11.0946","0.0007","19.4673","0.0013","90","","95.982","0.001","90","","1206.87","0.14","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9-Butyl-3-(9-butyl-9<i>H</i>-carbazol-3-yl)-9<i>H</i>-carbazole","","- C32 H32 N2 -","- C32 H32 N2 -","- C64 H64 N4 -","2","0.5","ZQ2229","Stalindurai, K.; Ramalingan, C.; Sridhar, B.; Selvanayagam, S.","Crystal structure of 9-butyl-3-(9-butyl-9<i>H</i>-carbazol-3-yl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2014","70","12","o1283","o1284","10.1107/S1600536814025367","","","0.71073","MoKα","","0.0778","0.0608","","","0.1489","0.1593","","","","","","1.121","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240243","9.6402","0.0005","13.6386","0.0006","14.0503","0.0007","90","","104.56","0.001","90","","1787.99","0.15","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2,3,3-Tetramethyl-1,1,1,4,4,4-hexaphenyltetragermane","","- C40 H42 Ge4 -","- C40 H42 Ge4 -","- C80 H84 Ge8 -","2","0.5","WM5086","Zaitsev, Kirill V.; Karlov, Sergey S.; Zaitseva, Galina S.; Alizade, Ali; Slovokhotov, Yuri L.","Crystal structure of 2,2,3,3-tetramethyl-1,1,1,4,4,4-hexaphenyltetragermane","Acta Crystallographica Section E","2014","70","12","o1273","o1274","10.1107/S160053681402501X","","","0.71073","MoKα","","0.044","0.0301","","","0.061","0.0663","","","","","","1.045","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240244","10.1635","0.0005","11.044","0.0006","13.5439","0.0007","113.549","0.002","98.381","0.002","99.451","0.003","1336.64","0.12","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","3-[({2-[Bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde","","- C32 H34 N2 O5 -","- C32 H34 N2 O5 -","- C64 H68 N4 O10 -","2","1","","Fonseca, Alexandra S.; Bortoluzzi, Adailton J.","Crystal structure of 3-[({2-[bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde","Acta Crystallographica Section E","2014","70","12","562","565","10.1107/S1600536814024465","","","0.71073","MoKα","","0.0985","0.0573","","","0.1439","0.1655","","","","","","1.017","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240245","30.381","0.005","6.1","0.004","21.357","0.005","90","","131.876","0.005","90","","2947","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Phenylethylaminium 4-nitrophenol monohydrate","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C112 H144 N16 O32 -","8","1","HB7318","Sowmya, N. Swarna; Sampathkrishnan, S.; Sudhahar, S.; Kumar, R. Mohan; Chakkaravarthi, G.","Crystal structure of 2-phenylethylaminium 4-nitrophenolate monohydrate","Acta Crystallographica Section E","2014","70","12","o1280","","10.1107/S1600536814025318","","","0.71073","MoKα","","0.058","0.0428","","","0.1117","0.1236","","","","","","1.033","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240246","29.191","0.006","7.3291","0.0017","12.587","0.003","90","","113.074","0.013","90","","2477.5","1","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ethyl (6-hydroxy-1-benzofuran-3-yl)acetate sesquihydrate","","- C12 H15 O5.5 -","- C12 H15 O5.5 -","- C96 H120 O44 -","8","1","GK2620","Krishnaswamy, G.; Suchetan, P. A.; Sreenivasa, S.; Naveen, S.; Lokanath, N. K.; Aruna Kumar, D. B.","Crystal structure of ethyl (6-hydroxy-1-benzofuran-3-yl)acetate sesquihydrate","Acta Crystallographica Section E","2014","70","12","541","543","10.1107/S1600536814024349","","","1.54178","CuKα","","0.2464","0.0671","","","0.1723","0.2241","","","","","","1.06","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2240247","6.959","0.0006","4.0517","0.0003","13.5858","0.0012","90","","91.754","0.008","90","","382.88","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Methoxyquinazoline","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C18 H16 N4 O2 -","2","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.","Crystal structure of 4-methoxyquinazoline","Acta Crystallographica Section E","2014","70","12","o1279","","10.1107/S1600536814025082","","","1.54184","CuKα","","0.0584","0.0538","","","0.1534","0.1585","","","","","","1.075","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240248","15.9691","0.0004","8.342","0.0002","19.1245","0.0005","90","","101.253","0.002","90","","2498.68","0.11","124","2","124","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-(2<i>R</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-5-(1,3-Dithian-2-yl)-3-methyl-1-(triisopropylsilyloxy)hexane-2,4-diol","","- C20 H42 O3 S2 Si -","- C20 H42 O3 S2 Si -","- C80 H168 O12 S8 Si4 -","4","2","","Cruz-Montanez, Alejandra; Piñero Cruz, Dalice M.; Prieto, Jose A.","Crystal structure of ({-})-(2<i>R</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-5-(1,3-dithian-2-yl)-3-methyl-1-(triisopropylsilyloxy)hexane-2,4-diol","Acta Crystallographica Section E","2014","70","12","o1285","o1286","10.1107/S160053681402443X","","","1.54178","CuKα","","0.041","0.0355","","","0.0839","0.0876","","","","","","1.024","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240249","8.1929","0.0013","8.4811","0.0014","12.761","0.002","84.485","0.004","80.007","0.005","78.077","0.004","852.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(2<i>H</i>-1,3-Benzodioxol-5-yl)-7,9-dibromo-8-oxo-1-oxaspiro[4.5]deca-2,6,9-triene-3-carboxylate","","- C18 H12 Br2 O6 -","- C18 H12 Br2 O6 -","- C36 H24 Br4 O12 -","2","1","","Martins, Lucimara Julio; de Simoni, Deborah; Aparicio, Ricardo; Coelho, Fernando","Crystal structure of methyl 2-(2<i>H</i>-1,3-benzodioxol-5-yl)-7,9-dibromo-8-oxo-1-oxaspiro[4.5]deca-2,6,9-triene-3-carboxylate","Acta Crystallographica Section E","2014","70","12","o1275","o1276","10.1107/S1600536814024763","","","0.71073","MoKα","","0.023","0.0181","","","0.0455","0.0472","","","","","","1.024","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240250","9.9647","0.001","12.2131","0.0011","15.7158","0.0015","90","","108.483","0.001","90","","1814","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[(Dichloromethane)sulfonyl]pyridine","","- C6 H5 Cl2 N O2 S -","- C6 H5 Cl2 N O2 S -","- C48 H40 Cl16 N8 O16 S8 -","8","2","HB7316","Chen, Zhiqiu; Bolat, Hembat; Wan, Xing; Li, Ya","Crystal structure of 2-[(dichloromethane)sulfonyl]pyridine","Acta Crystallographica Section E","2014","70","12","o1272","","10.1107/S1600536814025148","","","0.71073","MoKα","","0.0463","0.0369","","","0.094","0.1016","","","","","","1.03","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240251","12.89","0.005","8.343","0.005","19.908","0.005","90","","129.616","0.015","90","","1649.2","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-Benzyloxy-6-[(2-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","XU5827","Ghichi, Nadir; Benboudiaf, Ali; Merazig, Hocine","Crystal structure of (<i>Z</i>)-3-benzyloxy-6-[(2-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2014","70","12","o1292","","10.1107/S1600536814024568","","","0.71073","MoKα","","0.065","0.0399","","","0.0919","0.105","","","","","","1.014","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240252","12.9099","0.0002","14.805","0.0002","14.7933","0.0003","90","","90.821","0.001","90","","2827.17","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Octa-μ~3~-hydroxido-μ~6~-oxido-hexakis[tetraaquayttrium(III)] octaiodide octahydrate","","- H72 I8 O41 Y6 -","- I8 O41 Y6 -","- I16 O82 Y12 -","2","0.5","WM5083","Le Natur, François; Calvez, Guillaume; Guillou, Olivier; Daiguebonne, Carole; Bernot, Kevin","Crystal structure of [Y~6~(μ~6~-O)(μ~3~-OH)~8~(H~2~O)~24~]I~8~·8H~2~O","Acta Crystallographica Section E","2014","70","12","577","579","10.1107/S1600536814025434","","","0.71073","MoKα","","0.0764","0.0671","","","0.1717","0.1778","","","","","","1.114","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240253","9.8197","0.0003","10.6503","0.0003","11.6744","0.0003","74.245","0.001","80.428","0.001","66.493","0.001","1075.23","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(Diphenylphosphanyl)phenyl 4-(hydroxymethyl)benzoate","","- C26 H21 O3 P -","- C26 H21 O3 P -","- C52 H42 O6 P2 -","2","1","CV5473","Mamat, Constantin; Flemming, Anke; Köckerling, Martin","Crystal structure of 2-(diphenylphosphanyl)phenyl 4-(hydroxymethyl)benzoate","Acta Crystallographica Section E","2014","70","12","o1288","o1289","10.1107/S1600536814024623","","","0.71073","MoKα","","0.0818","0.051","","","0.1498","0.1761","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240254","5.7173","0.001","7.7671","0.0012","21.955","0.004","90","","95.136","0.004","90","","971","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(1-benzyl-1<i>H</i>-1,2,4-triazole) perchloric acid monosolvate","","- C18 H19 Cl N6 O4 -","- C18 H19 Cl N6 O4 -","- C36 H38 Cl2 N12 O8 -","2","1","RK2425","Qin, Yong-Qi; Xue, Jin-hui; Qiao, Yuan-Biao; Zhang, Zi-Feng","Crystal structure of bis(1-benzyl-1<i>H</i>-1,2,4-triazole) perchloric acid monosolvate","Acta Crystallographica Section E","2014","70","12","o1290","o1291","10.1107/S1600536814024829","","","0.71073","MoKα","","0.0887","0.0533","","","0.1203","0.1373","","","","","","1.048","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240255","10.5646","0.0006","18.798","0.0011","26.9782","0.0016","90","","90","","90","","5357.7","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Amino-1-(4-methylbenzyl)pyridinium bromide","","- C13 H15 Br N2 -","- C13 H15 Br N2 -","- C208 H240 Br16 N32 -","16","2","","Sharmila, N.; Sundar, T. V.; Yasodha, A.; Puratchikody, A.; Sridhar, B.","Crystal structure of 4-amino-1-(4-methylbenzyl)pyridinium bromide","Acta Crystallographica Section E","2014","70","12","o1293","o1294","10.1107/S1600536814025343","","","0.71073","MoKα","","0.0794","0.0386","","","0.0925","0.1096","","","","","","1.01","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240256","15.9542","0.0003","8.5087","0.0002","16.7212","0.0004","90","","99.07","0.002","90","","2241.51","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-1-(Ferrocenylethynyl)-10-(phenylimino)anthracen-9(10<i>H</i>)-one","","- C32 H21 Fe N O -","- C32 H21 Fe N O -","- C128 H84 Fe4 N4 O4 -","4","1","CV5475","Nishibori, Eiji; Aoyagi, Shinobu; Sakata, Makoto; Sakamoto, Ryota; Nishihara, Hiroshi","Crystal structure of (<i>Z</i>)-1-(ferrocenylethynyl)-10-(phenylimino)anthracen-9(10<i>H</i>)-one from synchrotron X-ray powder diffraction","Acta Crystallographica Section E","2014","70","12","573","576","10.1107/S1600536814025252","powder diffraction","","0.802","synchrotron","","0.04","","","","","","","","2.56","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240257","8.1338","0.0012","8.1961","0.0009","10.7933","0.0011","74.013","0.009","83.308","0.01","64.734","0.013","625.54","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-[(1<i>H</i>-pyrazol-1-yl)methyl]benzoate","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C26 H28 N4 O4 -","2","1","","Wang, Ju-Xian; Feng, Chao","Crystal structure of ethyl 4-[(1<i>H</i>-pyrazol-1-yl)methyl]benzoate","Acta Crystallographica Section E","2014","70","12","o1287","","10.1107/S1600536814025100","","","0.71073","MoKα","","0.0843","0.0665","","","0.1895","0.2011","","","","","","1.145","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240258","5.4455","0.0001","9.1901","0.0002","17.8837","0.0004","90","","94.506","0.001","90","","892.22","0.03","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Piperidin-1-yl)butane-1,3-dione","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C36 H60 N4 O8 -","4","1","","Schwierz, Markus; Görls, Helmar; Imhof, Wolfgang","Crystal structure of 1-(piperidin-1-yl)butane-1,3-dione","Acta Crystallographica Section E","2014","70","12","o1297","","10.1107/S1600536814025768","","","0.71073","MoKα","","0.0477","0.0401","","","0.1023","0.1073","","","","","","1.136","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240259","11.4319","0.0009","9.3598","0.0004","12.4297","0.0009","90","","105.016","0.003","90","","1284.57","0.15","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Hydroxyimino-2-(pyridin-2-yl)-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","","- C14 H13 N5 O2 -","- C14 H13 N5 O2 -","- C56 H52 N20 O8 -","4","1","SU5024","Plutenko, Maxym O.; Lampeka, Rostislav D.; Haukka, Matti; Nordlander, Ebbe","Crystal structure of 2-hydroxyimino-2-(pyridin-2-yl)-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","Acta Crystallographica Section E","2014","70","12","584","586","10.1107/S1600536814025793","","","0.71073","MoKα","","0.0629","0.044","","","0.1033","0.1152","","","","","","1.047","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240260","5.2123","0.0002","9.5031","0.0003","41.3363","0.0017","90","","90","","90","","2047.51","0.13","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(tert-butoxycarbonyl)phenylalanyldehydroalanine isopropyl ester","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)phenylalanyldehydroalanine isopropyl ester","","- C20 H28 N2 O5 -","- C20 H28 N2 O5 -","- C80 H112 N8 O20 -","4","1","ZS2321","Lenartowicz, Paweł; Makowski, Maciej; Zarychta, Bartosz; Ejsmont, Krzysztof","Crystal structure of <i>N</i>-(<i>tert</i>-butoxycarbonyl)phenylalanyldehydroalanine isopropyl ester (Boc‒Phe‒ΔAla‒OiPr)","Acta Crystallographica Section E","2014","70","12","599","602","10.1107/S1600536814025197","","","0.71073","MoKα","","0.0624","0.0458","","","0.0748","0.0785","","","","","","0.984","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240261","20.8082","0.0015","7.2521","0.0004","24.386","0.002","90","","111.599","0.007","90","","3421.5","0.5","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bromido-<i>fac</i>-tricarbonyl[5-phenyl-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>,<i>N</i>']rhenium(I)","","- C16 H10 Br N4 O3 Re -","- C16 H10 Br N4 O3 Re -","- C128 H80 Br8 N32 O24 Re8 -","8","1","WM5089","Piletska, Kseniia; Domasevitch, Konstantin V.; Shtemenko, Alexander V.","Crystal structure of bromido-<i>fac</i>-tricarbonyl[5-phenyl-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>,<i>N</i>']rhenium(I)","Acta Crystallographica Section E","2014","70","12","587","589","10.1107/S1600536814025604","","","0.71073","MoKα","","0.0374","0.0234","","","0.0481","0.0496","","","","","","0.837","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240262","10.781","0.005","11.682","0.005","14.56","0.005","112.708","0.005","91.908","0.005","113.18","0.005","1517.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetrahydropyrazolo[4',3':5,6]pyrano[3,4-<i>c</i>]quinoline-5a(5<i>H</i>)-carboxylate","","- C35 H31 N3 O5 S -","- C35 H31 N3 O5 S -","- C70 H62 N6 O10 S2 -","2","1","SU5015","Nadendla, Eswar Kumar; Jagadeesan, G.; Kannan, D.; Bakthadoss, Mannickam; Gunasekaran, K.","Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetrahydropyrazolo[4',3':5,6]pyrano[3,4-<i>c</i>]quinoline-5a(5<i>H</i>)-carboxylate","Acta Crystallographica Section E","2014","70","12","o1295","o1296","10.1107/S160053681402515X","","","0.71073","MoKα","","0.0543","0.0427","","","0.1095","0.118","","","","","","1.039","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240263","9.698","0.0019","10.119","0.002","12.875","0.003","89.86","0.03","83.1","0.03","65.45","0.03","1139.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","","- C27 H21 F N2 O4 -","- C27 H21 F N2 O4 -","- C54 H42 F2 N4 O8 -","2","1","XU5830","Lu, Xin-Hua; Sun, Hong-Shun; Hu, Jin","Crystal structure of dimethyl 3,3'-[(3-fluorophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate)","Acta Crystallographica Section E","2014","70","12","593","595","10.1107/S1600536814025756","","","0.71073","MoKα","","0.1055","0.0603","","","0.1429","0.1632","","","","","","1.004","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240264","8.2937","0.0001","17.4137","0.0003","26.9626","0.0004","90","","90","","90","","3894.05","0.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Amino-1-propylpyridinium bromide","","- C8 H13 Br N2 -","- C8 H13 Br N2 -","- C128 H208 Br16 N32 -","16","2","SU5025","Venkatesan, P.; Rajakannan, V.; Thamotharan, S.","Crystal structure of 3-amino-1-propylpyridinium bromide","Acta Crystallographica Section E","2014","70","12","580","583","10.1107/S1600536814025665","","","0.71073","MoKα","","0.0851","0.0364","","","0.0723","0.0854","","","","","","1.003","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240265","9.0431","0.0004","9.316","0.0004","9.754","0.0004","83.381","0.003","75.42","0.004","64.863","0.004","719.92","0.06","100","","100","0.1","","","","","","","","5","P -1","-P 1","2","N-(tert-butoxycarbonyl)glycyl-(Z)-β-bromo-dehydroalanine methyl ester","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)glycyl-(<i>Z</i>)-β-bromodehydroalanine methyl ester","","- C11 H17 Br N2 O5 -","- C11 H17 Br N2 O5 -","- C22 H34 Br2 N4 O10 -","2","1","HB7312","Lenartowicz, Paweł; Makowski, Maciej; Zarychta, Bartosz; Ejsmont, Krzysztof","Crystal structure of <i>N</i>-(<i>tert</i>-butoxycarbonyl)glycyl-(<i>Z</i>)-β-bromodehydroalanine methyl ester [Boc‒Gly‒(β-Br)^(<i>Z^)</i>ΔAla‒OMe]","Acta Crystallographica Section E","2014","70","12","596","598","10.1107/S1600536814025677","","","0.71073","MoKα","","0.027","0.0241","","","0.0657","0.0662","","","","","","1.062","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240266","7.5748","0.0015","4.4774","0.0009","8.6383","0.0017","90","","90","","90","","292.97","0.1","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Strontium cadmium platinum","","- Cd Pt Sr -","- Cd Pt Sr -","- Cd4 Pt4 Sr4 -","4","0.5","WM5093","Gulo, Fakhili; Köhler, Jürgen","Crystal structure of the intermetallic compound SrCdPt","Acta Crystallographica Section E","2014","70","12","590","592","10.1107/S1600536814025823","","","0.71073","MoKα","","0.0367","0.0304","","","0.0644","0.0658","","","","","","1.068","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240480","7.8097","0.0003","8.467","0.0003","15.1586","0.0006","74.656","0.002","75.955","0.002","65.042","0.002","866.46","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis{μ-4-methyl-<i>N</i>'-[3-(oxidoimino)butan-2-ylidene]benzenesulfonohydrazidato}-κ^4^<i>O</i>,<i>N</i>,<i>N</i>':<i>O</i>';κ^4^<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>'-bis[(dimethyl sulfoxide-κ<i>O</i>)copper(II)]","","- C26 H38 Cu2 N6 O8 S4 -","- C26 H38 Cu2 N6 O8 S4 -","- C26 H38 Cu2 N6 O8 S4 -","1","0.5","XU5805","Siqueira, Diego Pereira; Siqueira, Maria Carolina Bulhosa; Gervini, Vanessa Carratu; Bresolin, Leandro; de Oliveira, Adriano Bof","Crystal structure of bis{μ-4-methyl-<i>N</i>'-[3-(oxidoimino)butan-2-ylidene]benzenesulfonohydrazidato}bis[(dimethyl sulfoxide-κ<i>O</i>)copper(II)]","Acta Crystallographica Section E","2014","70","9","m316","m317","10.1107/S1600536814016651","","","0.71073","MoKα","","0.0424","0.0324","","","0.0853","0.0914","","","","","","1.043","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240701","9.1644","0.0006","6.0277","0.0006","13.1327","0.0009","90","","109.989","0.005","90","","681.75","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>E</i>)-<i>N</i>-(3,4-Dimethoxybenzylidene)morpholin-4-amine","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C26 H36 N4 O6 -","2","1","RZ5130","Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Jarrahpour, Aliasghar; Büyükgüngör, Orhan","Crystal structure of (<i>E</i>)-<i>N</i>-(3,4-dimethoxybenzylidene)morpholin-4-amine","Acta Crystallographica Section E","2014","70","9","o935","","10.1107/S160053681401678X","","","0.71073","MoKα","","0.0836","0.0456","","","0.0944","0.1055","","","","","","0.998","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240704","11.2237","0.0006","9.4471","0.0005","15.8785","0.0009","90","","100.868","0.003","90","","1653.42","0.16","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-2-(4-methylphenoxy)acetohydrazide","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","XU5759","Usha, M. K.; Madan Kumar, S.; Nitinchandra; Kalluraya, B.; Lokanath, N. K.; Revannasiddaiah, D.","(<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-2-(4-methylphenoxy)acetohydrazide","Acta Crystallographica Section E","2014","70","2","o140","","10.1107/S1600536813034879","","","1.54178","CuKα","","0.0816","0.0753","","","0.2007","0.211","","","","","","1.053","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240705","26.252","0.008","4.367","0.0014","12.523","0.004","90","","90","","90","","1435.7","0.8","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4,6-Diamino-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile","","- C6 H6 N4 S -","- C6 H6 N4 S -","- C48 H48 N32 S8 -","8","2","HG5399","Mohamed, Shaaban K.; Akkurt, Mehmet; Singh, Kuldip; Hussein, Bahgat R. M.; Albayati, Mustafa R.","Crystal structure of 4,6-diamino-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","9","o993","o994","10.1107/S1600536814018029","","","0.71073","MoKα","","0.1086","0.0641","","","0.1024","0.1167","","","","","","0.866","","","","has coordinates,has Fobs","136861","2020-10-21","18:00:00",""
"2240708","22.3034","0.001","5.2531","0.0003","16.5878","0.0008","90","","93.051","0.004","90","","1940.7","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{(<i>E</i>)-4-[(1-Allyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]benzylidene}[2-(morpholin-4-yl)ethyl]amine","","- C19 H25 N5 O2 -","- C19 H25 N5 O2 -","- C76 H100 N20 O8 -","4","1","SU2753","Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Shiri, Pezhman; Büyükgüngör, Orhan","Crystal structure of {(<i>E</i>)-4-[(1-allyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]benzylidene}[2-(morpholin-4-yl)ethyl]amine","Acta Crystallographica Section E","2014","70","9","o933","o934","10.1107/S1600536814016754","","","0.71073","MoKα","","0.1234","0.0543","","","0.1075","0.13","","","","","","0.928","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240712","8.6188","0.0011","9.7463","0.0015","11.9018","0.0016","100.308","0.01","107.921","0.009","95.163","0.011","924.6","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","2-(3,4-Dimethoxyphenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepine","","- C21 H19 N O2 S2 -","- C21 H19 N O2 S2 -","- C42 H38 N2 O4 S4 -","2","1","HB7177","Manjunath, B. C.; Manjula, M.; Raghavendra, K. R.; Shashikanth, S.; Ajay Kumar, K.; Lokanath, N. K.","2-(3,4-Dimethoxyphenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepine","Acta Crystallographica Section E","2014","70","2","o121","","10.1107/S1600536813034612","","","1.54178","CuKα","","0.0859","0.0584","","","0.154","0.1802","","","","","","1.066","","","","has coordinates,has Fobs","136869","2020-10-21","18:00:00",""
"2240720","11.9917","0.0019","9.7116","0.0016","12.602","0.002","90","","101.285","0.007","90","","1439.2","0.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Methylphenyl)-2-(prop-2-yn-1-yl)phthalazin-1(2<i>H</i>)-one","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","IS5329","Usha, M. K.; Madan Kumar, S.; Shyma, P. C.; Kalluraya, B.; Lokanath, N. K.; Revannasiddaiah, D.","4-(4-Methylphenyl)-2-(prop-2-yn-1-yl)phthalazin-1(2<i>H</i>)-one","Acta Crystallographica Section E","2014","70","2","o138","","10.1107/S1600536813034880","","","1.54178","CuKα","","0.0477","0.044","","","0.1265","0.1324","","","","","","1.097","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240721","6.0451","0.0003","17.8151","0.001","16.8627","0.0008","90","","99.69","0.004","90","","1790.1","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>E</i>)-(Anthracen-9-ylmethylidene)[2-(morpholin-4-yl)ethyl]amine","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","2","XU5815","Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Büyükgüngör, Orhan","Crystal structure of (<i>E</i>)-1(anthracen-9-ylmethylidene)[2-(morpholin-4-yl)ethyl]amine","Acta Crystallographica Section E","2014","70","9","o1045","o1046","10.1107/S1600536814018807","","","0.71073","MoKα","","0.1916","0.0461","","","0.0539","0.0763","","","","","","0.713","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240722","13.7183","0.001","6.204","0.0005","15.1944","0.0011","90","","112.865","0.003","90","","1191.56","0.16","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Ethylspiro[imidazolidine-4,1'-indane]-2,5-dione","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","TK5331","Hussein, Wahraan Mohammed; Theodore, Cynthia E.; Benaka Prasad, S. B.; Madaiah, M.; Naveen, S.; Lokanath, N. K.","Crystal structure of 1-ethylspiro[imidazolidine-4,1'-indane]-2,5-dione","Acta Crystallographica Section E","2014","70","9","o954","","10.1107/S1600536814017097","","","1.54178","CuKα","","0.0462","0.042","","","0.1161","0.1197","","","","","","1.073","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240723","16.981","0.004","8.1081","0.0017","41.66","0.009","90","","90","","90","","5736","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(<i>E</i>)-2-[(2-chlorophenyl)methylidene]hydrazin-1-yl]-4-phenyl-1,3-thiazole","","- C16 H12 Cl N3 S -","- C16 H12 Cl N3 S -","- C256 H192 Cl16 N48 S16 -","16","2","XU5803","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","Crystal structure of 2-[(<i>E</i>)-2-(2-chlorobenzylidene)hydrazin-1-yl]-4-phenyl-1,3-thiazole","Acta Crystallographica Section E","2014","70","9","o907","o908","10.1107/S1600536814016298","","","0.71073","MoKα","","0.067","0.0441","","","0.0949","0.1092","","","","","","1.039","","","","has coordinates,has Fobs","136882","2020-10-21","18:00:00",""
"2240724","13.279","0.003","9.939","0.003","13.264","0.003","90","","118.56","0.01","90","","1537.6","0.7","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1'-(2-Methylpropyl)-2,3-dihydrospiro[1-benzothiopyran-4,4'-imidazolidine]-2',5'-dione","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","XU5809","Theodore, Cynthia E.; Naveen, S.; Benaka Prasad, S. B.; Madaiah, M.; Ananda Kumar, C. S.; Lokanath, N. K.","Crystal structure of 1'-(2-methylpropyl)-2,3-dihydrospiro[1-benzothiopyran-4,4'-imidazolidine]-2',5'-dione","Acta Crystallographica Section E","2014","70","9","o1043","o1044","10.1107/S1600536814018030","","","1.54178","CuKα","","0.0759","0.0657","","","0.1814","0.1953","","","","","","1.057","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240725","5.496","0.0007","11.0177","0.0013","20.249","0.002","90","","90","","90","","1226.1","0.2","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>-Phenyl-<i>N</i>'-[1-(thiophen-2-yl)ethylidene]formohydrazide.","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C52 H48 N8 O4 S4 -","4","1","IS5369","Dileep, C. S.; Raghavendra, K. R.; Lokanath, N. K.; Ajay Kumar, K.; Sridhar, M. A.","Crystal structure of (<i>E</i>)-<i>N</i>-phenyl-<i>N</i>'-[1-(thiophen-2-yl)ethylidene]formohydrazide","Acta Crystallographica Section E","2014","70","9","o928","o929","10.1107/S1600536814016511","","","1.54178","CuKα","","0.0406","0.0384","","","0.0993","0.1016","","","","","","1.103","","","","has coordinates,has Fobs","136885","2020-10-21","18:00:00",""
"2240726","16.864","0.004","4.7431","0.0008","12.952","0.002","90","","102.34","0.02","90","","1012.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzimidazole","2-(1<i>H</i>-Benzimidazol-2-yl)phenol","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","HG5377","Prakash, S. M.; Thiruvalluvar, A.; Rosepriya, S.; Srinivasan, N.","2-(1<i>H</i>-Benzimidazol-2-yl)phenol","Acta Crystallographica Section E","2014","70","2","o184","","10.1107/S1600536814001366","","","0.71073","MoKα","","0.1458","0.0667","","","0.1013","0.1308","","","","","","1.026","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240727","9.164","0.0017","13.1687","0.0018","11.988","0.002","90","","96.825","0.011","90","","1436.4","0.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Methyl-1,2,3,4-tetrahydroquinolin-4-yl)azepan-2-one","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","1","XU5808","Pradeep, P. S.; Naveen, S.; Kumara, M. N.; Mahadevan, K. M.; Lokanath, N. K.","Crystal structure of <i>cis</i>-1-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)azepan-2-one","Acta Crystallographica Section E","2014","70","9","o981","o982","10.1107/S1600536814017826","","","1.54178","CuKα","","0.0537","0.0493","","","0.1349","0.1392","","","","","","1.06","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240734","8.7092","0.0003","10.5639","0.0003","20.34","0.0007","85.678","0.001","79.397","0.001","80.134","0.001","1810.33","0.1","296","","296","","","","","","","","","4","P -1","-P 1","2","","6,7-Dimethoxy-2,4-diphenylquinoline","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","2","TK5285","Prabhuswamy, M.; Madan Kumar, S.; Swaroop, T. R.; Rangappa, K. S.; Lokanath, N. K.","6,7-Dimethoxy-2,4-diphenylquinoline","Acta Crystallographica Section E","2014","70","2","o165","","10.1107/S1600536814000725","","","1.54178","CuKα","","0.0459","0.041","","","0.1158","0.1202","","","","","","1.04","","","","has coordinates,has Fobs","136896","2020-10-21","18:00:00",""
"2240737","9.875","0.0007","18.0543","0.0015","7.0942","0.0005","90","","100.955","0.007","90","","1241.75","0.16","150.02","0.11","150.02","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1<i>H</i>-imidazol-3-ium (1,3-dioxoisoindolin-2-yl)acetate","","- C13 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","XU5807","Mohamed, Shaaban K.; Akkurt, Mehmet; Potgieter, Herman; Ali, Muizz","Crystal structure of 1<i>H</i>-imidazol-3-ium 2-(1,3-dioxoisoindolin-2-yl)acetate","Acta Crystallographica Section E","2014","70","9","o979","o980","10.1107/S1600536814017619","","","0.7107","MoKα","","0.0789","0.0527","","","0.0988","0.1179","","","","","","1.063","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240739","11.3414","0.0003","9.1909","0.0003","12.6799","0.0004","90","","111.569","0.002","90","","1229.17","0.07","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(2<i>S</i>,4<i>R</i>)-6-Fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one","","- C14 H17 F N2 O -","- C14 H17 F N2 O -","- C56 H68 F4 N8 O4 -","4","1","SU2767","Pradeep, P. S.; Naveen, S.; Kumara, M. N.; Mahadevan, K. M.; Lokanath, N. K.","Crystal structure of 1-[(2<i>S</i>*,4<i>R</i>*)-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one","Acta Crystallographica Section E","2014","70","9","153","156","10.1107/S1600536814019254","","","1.54178","CuKα","","0.0636","0.043","","","0.1107","0.1222","","","","","","0.998","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240741","14.6205","0.0005","14.6205","0.0005","20.2672","0.0006","90","","90","","120","","3751.9","0.2","123","2","123","2","","","","","","","","3","P 31 2 1","P 31 2""","152","pentane-1,5-diol","1,3,5-Tri-<i>p</i>-tolylpentane-1,5-diol","","- C26 H30 O2 -","- C26 H30 O2 -","- C156 H180 O12 -","6","1","SU2686","Thiruvalluvar, A.; Chithiravel, R.; Muthusubramanian, S.; Butcher, R. J.","1,3,5-Tri-<i>p</i>-tolylpentane-1,5-diol","Acta Crystallographica Section E","2014","70","2","o122","o123","10.1107/S160053681400018X","","","0.71073","MoKα","","0.0831","0.0677","","","0.1858","0.1934","","","","","","1.083","","","","has coordinates,has Fobs","136903","2020-10-21","18:00:00",""
"2242286","10.0935","0.0001","14.8256","0.0002","20.0419","0.0003","90","","90","","90","","2999.11","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Pentacaesium nonastannide hydroxide tetraammonia","","- Cs5 H13 N4 O Sn9 -","- Cs5 H13 N4 O Sn9 -","- Cs20 H52 N16 O4 Sn36 -","4","1","RU2058","Friedrich, Ute; Korber, Nikolaus","Cs~5~Sn~9~(OH).4NH~3~","Acta Crystallographica, Section E","2014","70","6","i29","i29","10.1107/S1600536814011817","","","0.71073","MoKα","","0.0211","0.0198","","","0.037","0.0374","","","","","","1.048","","","","has coordinates,has Fobs","199838","2020-10-21","18:00:00",""
"2242292","8.077","0.0005","11.2234","0.0006","9.4377","0.0006","90","","97.7087","0.0019","90","","847.81","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-1,4-Bis[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1,4-dicarbonitrile","","- C14 H22 N2 O2 Si2 -","- C14 H22 N2 O2 Si2 -","- C28 H44 N4 O4 Si4 -","2","0.5","","Glöcklhofer, Florian; Fröhlich, Johannes; Stöger, Berthold; Weil, Matthias","Crystal structure oftrans-1,4-bis[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1,4-dicarbonitrile","Acta Crystallographica Section E Structure Reports Online","2014","70","8","77","","10.1107/S1600536814014251","","","0.71073","MoKα","","0.0364","0.0296","","","0.0414","0.0418","","","","","","2.38","","","","has coordinates,has Fobs","199943","2020-10-21","18:00:00",""
"2300446","23.201","0.0003","32.31","0.0003","4.103","0.0003","90","","90","","90","","3075.7","0.2","293","2","293","2","","","","","","","","3","P n m m :2","-P 2c 2bc","59","","","","- Al18.5 Co7.75 Ni0 -","- Al17.25 Co7.75 -","- Al138 Co62 -","8","1","HE5621","Singh, Devinder; Yun, Yifeng; Wan, Wei; Grushko, Benjamin; Zou, Xiaodong; Hovmöller, Sven","A complex pseudo-decagonal quasicrystal approximant, Al~37~(Co,Ni)~15.5~, solved by rotation electron diffraction","Journal of Applied Crystallography","2014","47","1","215","221","10.1107/S1600576713029294","","","0.02508","","","0.4326","0.4285","","","0.6988","0.7023","","","","","","4.155","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2300448","4.758152","0.000042","4.758152","0.000042","12.9897","0.00018","90","","90","","120","","254.687","0.005","298","","298","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","aluminium oxide","corundum","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","TO5064","Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc","Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods","Journal of Applied Crystallography","2014","47","2","659","667","10.1107/S1600576714003379","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.018","0.095","","","","","","","has coordinates,has Fobs","201211","2020-10-21","18:00:00",""
"2300449","5.463209","0.000047","5.463209","0.000047","5.463209","0.000047","90","","90","","90","","163.059","0.002","298","","298","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","calcium fluoride","fluorite","- Ca F2 -","- Ca F2 -","- Ca4 F8 -","4","0.0208333","TO5064","Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc","Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods","Journal of Applied Crystallography","2014","47","2","659","667","10.1107/S1600576714003379","powder diffraction","","1.5418","CuKα","","","","","","","","","0.015","0.66","","","","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300450","3.249308","0.000018","3.249308","0.000018","5.205709","0.000038","90","","90","","120","","47.5984","0.0005","298","","298","","","","","","","","","2","P 63 m c","P 6c -2c","186","","zinc oxide","zincite","- O Zn -","- O Zn -","- O2 Zn2 -","2","0.166667","TO5064","Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc","Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods","Journal of Applied Crystallography","2014","47","2","659","667","10.1107/S1600576714003379","powder diffraction","","1.5418","CuKα","","","","","","","","","0.018","0.44","","","","","","","has coordinates,has Fobs","199986","2020-10-21","18:00:00",""
"2300451","20.31875","0.00069","7.84999","0.00012","9.10539","0.00042","90","","90","","90","","1452.33","0.09","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","tolbutamide IL","N-[(butylamino)carbonyl]-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","TO5064","Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc","Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods","Journal of Applied Crystallography","2014","47","2","659","667","10.1107/S1600576714003379","powder diffraction","","1.5418","CuKα","","","","","","","","","0.054","2.88","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300452","9.16849","0.00064","17.181","0.0022","18.1517","0.0022","90","","96.6067","0.00044","90","","2840.3","0.5","298","","298","","","","","","","","","5","P 1 c 1","P -2yc","7","tolbutamide II","N-[(butylamino)carbonyl]-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C96 H144 N16 O24 S8 -","8","4","TO5064","Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc","Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods","Journal of Applied Crystallography","2014","47","2","659","667","10.1107/S1600576714003379","powder diffraction","","1.5418","CuKα","","","","","","","","","0.047","3.25","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300453","11.80943","0.00051","9.06147","0.00044","13.99082","0.00092","90","","104.584","0.0024","90","","1448.93","0.13","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tolbutamide III","N-[(butylamino)carbonyl]-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","TO5064","Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc","Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods","Journal of Applied Crystallography","2014","47","2","659","667","10.1107/S1600576714003379","powder diffraction","","1.5418","CuKα","","","","","","","","","0.053","2.39","","","","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300454","5.10422","0.000076","11.97177","0.00017","5.93652","0.00009","90","","121.264","0.00078","90","","310.081","0.008","298","","298","","","","","","","","Sigma","4","P 1 21/c 1","-P 2ybc","14","alpha-Glycine","Aminoethanoic acid","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","TO5064","Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc","Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods","Journal of Applied Crystallography","2014","47","2","659","667","10.1107/S1600576714003379","powder diffraction","","1.5418","CuKα","","","","","","","","","0.033","9.66","","","","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300455","11.71439","0.00047","9.38544","0.00022","7.10166","0.000036","90","","82.5879","0.000024","90","","774.27","0.04","298","","298","","","","","","","","Sigma","4","P 1 21/n 1","-P 2ybc","14","Paracetamol","N-(4-hydroxyphenyl)ethanamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","TO5064","Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc","Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods","Journal of Applied Crystallography","2014","47","2","659","667","10.1107/S1600576714003379","powder diffraction","","1.5418","CuKα","","","","","","","","","0.08","17.2","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300456","7.77208","0.00038","21.58192","0.00017","4.8172","0.00031","90","","74.0609","0.0012","90","","776.95","0.06","298","","298","","","","","","","","Sigma","3","P 1 21 1","P 2yb","4","Lactose monohydrate","/b-D-galactopyranosyl-(1,4)-D-glucose monhydrate","","- C12 H24 O12 -","- C12 H24 O12 -","- C24 H48 O24 -","2","1","TO5064","Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc","Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods","Journal of Applied Crystallography","2014","47","2","659","667","10.1107/S1600576714003379","powder diffraction","","1.5418","CuKα","","","","","","","","","0.105","24","","","","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300462","8.87","","16.48","","19.48","","90","","90","","90","","2847.54","","293","","293","","","","","","","","","2","P b c m","-P 2c 2b","57","","","","- Ag5 Mg33 -","- Ag5 Mg33 -","- Ag20 Mg132 -","4","0.5","","Samuha, Shmuel; Krimer, Yaakov; Meshi, Louisa","Strategies for full structure solution of intermetallic compounds using precession electron diffraction zonal data","Journal of Applied Crystallography","2014","47","3","1032","1041","10.1107/S1600576714009200","","electron","0.0251","electron","","0.2932","0.2932","","","0.4447","0.4447","","","","0","0","44.99","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300463","11.947","0.0008","5.5093","0.0003","12.4564","0.0007","90","","91.712","0.006","90","","819.51","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Amino-1-(4-fluorophenyl)thiourea","","- C7 H8 F N3 S -","- C7 H8 F N3 S -","- C28 H32 F4 N12 S4 -","4","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0476","0.0353","","","0.0803","0.0901","","","","","","1.047","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300464","11.9525","0.0008","5.5111","0.0003","12.4566","0.0007","90","","91.699","0.005","90","","820.17","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Amino-1-(4-fluorophenyl)thiourea","","- C7 H8 F N3 S -","- C7 H8 F N3 S -","- C28 H32 F4 N12 S4 -","4","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0489","0.036","","","0.0841","0.093","","","","","","1.038","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300465","11.9359","0.0007","5.5005","0.0003","12.4375","0.0007","90","","91.776","0.005","90","","816.17","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Amino-1-(4-fluorophenyl)thiourea","","- C7 H8 F N3 S -","- C7 H8 F N3 S -","- C28 H32 F4 N12 S4 -","4","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0512","0.0357","","","0.0848","0.0968","","","","","","1.036","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300466","11.9533","0.0008","5.5087","0.0004","12.4688","0.0008","90","","91.699","0.006","90","","820.67","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Amino-1-(4-fluorophenyl)thiourea","","- C7 H8 F N3 S -","- C7 H8 F N3 S -","- C28 H32 F4 N12 S4 -","4","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0539","0.037","","","0.0826","0.0935","","","","","","1.032","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300467","5.613","0.0004","8.5301","0.0005","31.4348","0.0017","90","","90","","90","","1505.08","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2-Bromo-1,2-diphenylethenyl)benzene","","- C20 H15 Br -","- C20 H15 Br -","- C80 H60 Br4 -","4","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0618","0.048","","","0.0873","0.0934","","","","","","1.033","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300468","5.6011","0.0003","8.5219","0.0004","31.4741","0.0013","90","","90","","90","","1502.32","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2-Bromo-1,2-diphenylethenyl)benzene","","- C20 H15 Br -","- C20 H15 Br -","- C80 H60 Br4 -","4","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0407","0.0348","","","0.0734","0.0758","","","","","","1.022","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300469","5.6104","0.0004","8.5238","0.0004","31.496","0.002","90","","90","","90","","1506.2","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2-Bromo-1,2-diphenylethenyl)benzene","","- C20 H15 Br -","- C20 H15 Br -","- C80 H60 Br4 -","4","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0583","0.0471","","","0.0895","0.0947","","","","","","1.02","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300470","5.6112","0.0004","8.5333","0.0004","31.4392","0.0014","90","","90","","90","","1505.37","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2-Bromo-1,2-diphenylethenyl)benzene","","- C20 H15 Br -","- C20 H15 Br -","- C80 H60 Br4 -","4","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0584","0.0471","","","0.0896","0.0948","","","","","","1.021","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300471","23.0024","0.0011","8.9753","0.0004","12.3386","0.0005","90","","98.041","0.004","90","","2522.3","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis(3,5-dinitrobenzoato)[1,3,5,7- tetraazatricyclo[3.3.1.1^3,7^]decane]copper(II) dihydrate","","- C20 H26 Cu N8 O16 -","- C20 H26 Cu N8 O16 -","- C80 H104 Cu4 N32 O64 -","4","0.5","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0343","0.0285","","","0.0713","0.0749","","","","","","1.051","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300472","23.0151","0.0008","8.9752","0.0003","12.3404","0.0005","90","","98.108","0.003","90","","2523.62","0.16","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis(3,5-dinitrobenzoato)[1,3,5,7- tetraazatricyclo[3.3.1.1^3,7^]decane]copper(II) dihydrate","","- C20 H26 Cu N8 O16 -","- C20 H26 Cu N8 O16 -","- C80 H104 Cu4 N32 O64 -","4","0.5","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.032","0.0282","","","0.0733","0.0758","","","","","","1.073","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300473","23.0144","0.0011","8.9745","0.0005","12.3423","0.0006","90","","98.069","0.005","90","","2524","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis(3,5-dinitrobenzoato)[1,3,5,7- tetraazatricyclo[3.3.1.1^3,7^]decane]copper(II) dihydrate","","- C20 H26 Cu N8 O16 -","- C20 H26 Cu N8 O16 -","- C80 H104 Cu4 N32 O64 -","4","0.5","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0393","0.0311","","","0.0752","0.0815","","","","","","1.013","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300474","23.0253","0.0012","8.9728","0.0005","12.3325","0.0007","90","","98.12","0.005","90","","2522.4","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis(3,5-dinitrobenzoato)[1,3,5,7- tetraazatricyclo[3.3.1.1^3,7^]decane]copper(II) dihydrate","","- C20 H26 Cu N8 O16 -","- C20 H26 Cu N8 O16 -","- C80 H104 Cu4 N32 O64 -","4","0.5","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0444","0.0324","","","0.0737","0.0819","","","","","","1.038","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300475","15.5966","0.0007","16.1294","0.0006","20.4387","0.0009","90","","108.891","0.005","90","","4864.7","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquachlorotriphenyltin(IV)‒2,2'-bipyridine (1/1)","","- C28 H25 Cl N2 O Sn -","- C28 H25 Cl N2 O Sn -","- C224 H200 Cl8 N16 O8 Sn8 -","8","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0398","0.0284","","","0.0702","0.0793","","","","","","1.004","","","","has coordinates,has Fobs","198932","2020-10-21","18:00:00",""
"2300476","15.5993","0.0005","16.1284","0.0004","20.4476","0.0007","90","","108.849","0.004","90","","4868.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquachlorotriphenyltin(IV)‒2,2'-bipyridine (1/1)","","- C28 H25 Cl N2 O Sn -","- C28 H25 Cl N2 O Sn -","- C224 H200 Cl8 N16 O8 Sn8 -","8","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0361","0.0277","","","0.0708","0.0787","","","","","","1.037","","","","has coordinates,has Fobs","198932","2020-10-21","18:00:00",""
"2300477","15.5742","0.0004","16.1161","0.0004","20.4181","0.0006","90","","108.879","0.003","90","","4849.2","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquachlorotriphenyltin(IV)‒2,2'-bipyridine (1/1)","","- C28 H25 Cl N2 O Sn -","- C28 H25 Cl N2 O Sn -","- C224 H200 Cl8 N16 O8 Sn8 -","8","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.033","0.0258","","","0.0675","0.0744","","","","","","1.009","","","","has coordinates,has Fobs","198932","2020-10-21","18:00:00",""
"2300478","15.5844","0.0007","16.112","0.0005","20.4375","0.0009","90","","108.872","0.005","90","","4855.9","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquachlorotriphenyltin(IV)‒2,2'-bipyridine (1/1)","","- C28 H25 Cl N2 O Sn -","- C28 H25 Cl N2 O Sn -","- C224 H200 Cl8 N16 O8 Sn8 -","8","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0522","0.0334","","","0.0768","0.0906","","","","","","1.032","","","","has coordinates,has Fobs","198932","2020-10-21","18:00:00",""
"2300479","5.3641","0.0002","13.8966","0.0006","14.2315","0.0006","90","","100.132","0.004","90","","1044.31","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(3-Amino-1,3-dimethylurea)dinitratolead(II)","","- C3 H9 N5 O6 Pb S -","- C3 H9 N5 O6 Pb S -","- C12 H36 N20 O24 Pb4 S4 -","4","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0332","0.029","","","0.0675","0.0702","","","","","","1.076","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300480","5.346","0.0002","13.8593","0.0005","14.1995","0.0006","90","","100.138","0.004","90","","1035.64","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(3-Amino-1,3-dimethylurea)dinitratolead(II)","","- C3 H9 N5 O6 Pb S -","- C3 H9 N5 O6 Pb S -","- C12 H36 N20 O24 Pb4 S4 -","4","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0306","0.0269","","","0.0631","0.0653","","","","","","1.065","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300481","5.3522","0.0002","13.8783","0.0006","14.2186","0.0006","90","","100.048","0.004","90","","1039.95","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(3-Amino-1,3-dimethylurea)dinitratolead(II)","","- C3 H9 N5 O6 Pb S -","- C3 H9 N5 O6 Pb S -","- C12 H36 N20 O24 Pb4 S4 -","4","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0282","0.0234","","","0.0515","0.0542","","","","","","1.039","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300482","5.3522","0.0002","13.8826","0.0006","14.2217","0.0006","90","","100.075","0.004","90","","1040.41","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(3-Amino-1,3-dimethylurea)dinitratolead(II)","","- C3 H9 N5 O6 Pb S -","- C3 H9 N5 O6 Pb S -","- C12 H36 N20 O24 Pb4 S4 -","4","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0274","0.022","","","0.0444","0.0469","","","","","","0.99","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300483","24.5663","0.0003","24.5663","0.0003","6.38601","0.00012","90","","90","","90","","3853.98","0.1","298","2","298","","","","100","","","","FIOCRUZ (Brazil)","6","P 42/n :2","-P 4bc","86","0234","R,S erythro-alpha-2-piperidyl 2,8bis(trifluoromethyl)-4quinolinemethanol hydrochloride","","- C34 H34 Cl2 F12 N4 O3 -","- C34 H34 Cl2 F12 N4 O3 -","- C136 H136 Cl8 F48 N16 O12 -","4","0.5","KK5170","Mendes do Prado, Vânia; Cardoso Seiceira, Rafael; Pitaluga Jr, Altivo; Andrade-Filho, Tarciso; Andrade Alves, Wendel; Reily Rocha, Alexandre; Furlan Ferreira, Fabio","Elucidating the crystal structure of the antimalarial drug (±)-mefloquine hydrochloride: a tetragonal hydrated species","Journal of Applied Crystallography","2014","47","4","1380","1386","10.1107/S160057671401303X","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0143","2.15","","","","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300484","3.0294","0.0004","10.0534","0.0012","7.3938","0.0007","90","","90","","90","","225.18","0.05","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- F3 Na Ni -","- F3 Na Ni -","- F12 Na4 Ni4 -","4","0.25","KS5440","Lindsay-Scott, Alex; Dobson, David; Nestola, Fabrizio; Alvaro, Matteo; Casati, Nicola; Liebske, Christian; Knight, Kevin S.; Smith, Ronald I.; Wood, Ian G.","Time-of-flight neutron powder diffraction with milligram samples: the crystal structures of NaCoF~3~ and NaNiF~3~ post-perovskites","Journal of Applied Crystallography","2014","47","6","1939","1947","10.1107/S1600576714021803","","","0.20675","X-ray","","0.1046","0.0665","","","0.1552","0.19","","","","","","1.057","","","","has coordinates,has Fobs","213072","2020-10-21","18:00:00",""
"2300615","8.391","0.0004","8.391","0.0004","8.391","0.0004","90","","90","","90","","590.8","0.05","300","","300","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Fe2O4Zn1","","- Fe2 O4 Zn -","- Fe1.999 O3.99976 Zn1.001 -","- Fe15.992 O31.9981 Zn8.008 -","8","0.0416667","KK5153","Solano, Eduardo; Frontera, Carlos; Puig, Teresa; Obradors, Xavier; Ricart, Susagna; Ros, Josep","Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route","Journal of Applied Crystallography","2014","47","1","414","420","10.1107/S1600576713032895","powder diffraction","","2.52268","ConstantWavelengthNeutronDiffraction","","","","","","","","","0.9945","","","","","","","","has coordinates,has Fobs","181827","2020-10-21","18:00:00",""
"2300616","8.3582","0.0017","8.3582","0.0017","8.3582","0.0017","90","","90","","90","","583.9","0.2","300","","300","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe3 O4 -","- Fe2.99976 O3.99976 -","- Fe23.9981 O31.9981 -","8","0.0416667","KK5153","Solano, Eduardo; Frontera, Carlos; Puig, Teresa; Obradors, Xavier; Ricart, Susagna; Ros, Josep","Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route","Journal of Applied Crystallography","2014","47","1","414","420","10.1107/S1600576713032895","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","4.7803","","","","","","","","has coordinates,has Fobs","181828","2020-10-21","18:00:00",""
"2300617","8.3364","0.0015","8.3364","0.0015","8.3364","0.0015","90","","90","","90","","579.34","0.18","300","","300","","","","","","","","","2","P 43 3 2","P 4acd 2ab 3","212","","","","- Fe2 O3 -","- Fe2.116 O3.19203 -","- Fe21.16 O31.9203 -","10","0.416667","KK5153","Solano, Eduardo; Frontera, Carlos; Puig, Teresa; Obradors, Xavier; Ricart, Susagna; Ros, Josep","Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route","Journal of Applied Crystallography","2014","47","1","414","420","10.1107/S1600576713032895","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","7.8001","","","","","","","","has coordinates","181828","2020-10-21","18:00:00",""
"2300618","8.3711","0.0004","8.3711","0.0004","8.3711","0.0004","90","","90","","90","","586.61","0.05","300","","300","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Fe2MnO4","","- Fe2 Mn O4 -","- Fe2.00001 Mn0.99999 O3.99976 -","- Fe16.0001 Mn7.99992 O31.9981 -","8","0.0416667","KK5153","Solano, Eduardo; Frontera, Carlos; Puig, Teresa; Obradors, Xavier; Ricart, Susagna; Ros, Josep","Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route","Journal of Applied Crystallography","2014","47","1","414","420","10.1107/S1600576713032895","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","2.4194","","","","","","","","has coordinates,has Fobs","181829","2020-10-21","18:00:00",""
"2300650","8.084","0.0006","5.9051","0.0004","8.5731","0.0013","90","","123.484","0.005","90","","341.33","0.07","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.17799","","0.56","","","","","","","has coordinates","246043","2020-10-21","18:00:00",""
"2300651","7.3886","0.0014","5.6145","0.0009","8.2776","0.0026","90","","125.706","0.012","90","","278.83","0.12","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.16602","","0.5","","","","","","","has coordinates","246044","2020-10-21","18:00:00",""
"2300652","7.4494","0.0013","5.6208","0.0008","8.2917","0.0026","90","","125.494","0.011","90","","282.67","0.12","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.14248","","0.5","","","","","","","has coordinates","246045","2020-10-21","18:00:00",""
"2300653","7.6472","0.0008","5.684","0.0005","8.389","0.0017","90","","125.028","0.007","90","","298.6","0.08","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.1371","","0.6","","","","","","","has coordinates","246046","2020-10-21","18:00:00",""
"2300654","7.8031","0.0007","5.7597","0.0004","8.4596","0.0015","90","","124.507","0.006","90","","313.31","0.07","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.13049","","0.56","","","","","","","has coordinates","246047","2020-10-21","18:00:00",""
"2300655","7.5578","0.0009","5.6554","0.0006","8.3443","0.0019","90","","125.212","0.008","90","","291.4","0.09","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.17122","","0.56","","","","","","","has coordinates","246048","2020-10-21","18:00:00",""
"2300656","8.2592","0.0005","5.98351","0.00032","8.6755","0.0011","90","","122.651","0.004","90","","360.98","0.06","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.18978","","0.41","","","","","","","has coordinates","246049","2020-10-21","18:00:00",""
"2300657","7.7152","0.0008","5.7097","0.0005","8.4166","0.0014","90","","124.816","0.007","90","","304.39","0.07","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.18667","","0.48","","","","","","","has coordinates","246050","2020-10-21","18:00:00",""
"2300658","7.9917","0.0008","5.8564","0.0005","8.5502","0.0019","90","","123.777","0.007","90","","332.63","0.09","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.17068","","0.49","","","","","","","has coordinates","246051","2020-10-21","18:00:00",""
"2300659","7.8713","0.0007","5.788","0.0004","8.4908","0.0015","90","","124.076","0.006","90","","320.41","0.07","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C5 H4 -","- C5 H4 -","- C20 H16 -","4","1","KK5159","Likhacheva, Anna Y.; Rashchenko, Sergey V.; Litasov, Konstantin D.","High-pressure structural properties of naphthalene up to 6 GPa","Journal of Applied Crystallography","2014","47","3","984","","10.1107/S1600576714005937","powder diffraction","x-ray","0.3685","","","","","","","","","0.16297","","0.55","","","","","","","has coordinates","246052","2020-10-21","18:00:00",""
"2310114","6.0903","0.0002","3.4959","0.0001","11.8348","0.0003","90","","103.917","0.001","90","","244.579","0.012","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","","Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof","Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments","Acta Crystallographica Section A","2014","70","1","72","91","10.1107/S2053273313028313","","","0.71073","MoKα","","0.0166","0.0166","","","0.0184","0.0184","","","","","","0.941","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310115","6.091","0.0003","3.4928","0.0002","11.8372","0.0006","90","","103.901","0.002","90","","244.46","0.02","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","","Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof","Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments","Acta Crystallographica Section A","2014","70","1","72","91","10.1107/S2053273313028313","","","0.71073","MoKα","","0.0139","0.0139","","","0.0228","0.0228","","","","","","1.45","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310116","6.0988","0.0002","3.4954","0.0001","11.8455","0.0004","90","","103.927","0.002","90","","245.096","0.014","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","","Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof","Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments","Acta Crystallographica Section A","2014","70","1","72","91","10.1107/S2053273313028313","","","0.71073","MoKα","","0.016","0.016","","","0.0184","0.0184","","","","","","1","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310117","6.0909","0.0003","3.4916","0.0002","11.8401","0.0006","90","","103.935","0.002","90","","244.39","0.02","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","","Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof","Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments","Acta Crystallographica Section A","2014","70","1","72","91","10.1107/S2053273313028313","","","0.71073","MoKα","","0.0128","0.0128","","","0.0183","0.0183","","","","","","1.222","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310118","6.0931","0.0004","3.4921","0.0002","11.8409","0.0007","90","","103.842","0.002","90","","244.63","0.03","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","","Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof","Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments","Acta Crystallographica Section A","2014","70","1","72","91","10.1107/S2053273313028313","","","0.71073","MoKα","","0.0142","0.0142","","","0.0209","0.0209","","","","","","1.319","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310119","6.0893","0.0002","3.4965","0.0001","11.8311","0.0004","90","","103.883","0.002","90","","244.54","0.014","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","","Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof","Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments","Acta Crystallographica Section A","2014","70","1","72","91","10.1107/S2053273313028313","","","0.71073","MoKα","","0.0199","0.0199","","","0.0217","0.0217","","","","","","1.061","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310120","6.0954","0.0002","3.4948","0.0001","11.8499","0.0003","90","","103.939","0.0009","90","","244.996","0.012","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","","Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof","Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments","Acta Crystallographica Section A","2014","70","1","72","91","10.1107/S2053273313028313","","","0.71073","MoKα","","0.0192","0.0192","","","0.0225","0.0225","","","","","","1.09","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310121","6.0937","0.0004","3.4929","0.0002","11.8533","0.0007","90","","103.948","0.002","90","","244.85","0.03","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","","Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof","Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments","Acta Crystallographica Section A","2014","70","1","72","91","10.1107/S2053273313028313","","","0.71073","MoKα","","0.0123","0.0123","","","0.0192","0.0192","","","","","","1.252","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310122","6.118","0.002","3.5042","0.0002","11.883","0.004","90","","103.93","0.03","90","","247.26","0.12","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","","Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof","Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments","Acta Crystallographica Section A","2014","70","1","72","91","10.1107/S2053273313028313","","neutron","","Mo-Kα","","0.1083","0.0671","","","0.0645","0.0683","","","","2","2","1.64","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2310123","6.0939","0.0003","3.4965","0.0002","11.8441","0.0005","90","","103.951","0.002","90","","244.92","0.02","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","","Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof","Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments","Acta Crystallographica Section A","2014","70","1","72","91","10.1107/S2053273313028313","","","0.71073","MoKα","","0.0165","0.0165","","","0.0238","0.0238","","","","","","1.467","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310124","6.0889","0.0002","3.487","0.0001","11.8299","0.0003","90","","103.93","0.001","90","","243.786","0.012","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","","Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof","Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments","Acta Crystallographica Section A","2014","70","1","72","91","10.1107/S2053273313028313","","","0.71073","MoKα","","0.015","0.015","","","0.019","0.019","","","","","","1.065","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310125","6.0988","0.0001","3.497","","11.8494","0.0002","90","","103.922","0.002","90","","245.294","0.006","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","","Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof","Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments","Acta Crystallographica Section A","2014","70","1","72","91","10.1107/S2053273313028313","","","0.71073","MoKα","","0.0138","0.0138","","","0.0159","0.0159","","","","","","0.988","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310126","6.092","0.0003","3.4919","0.0002","11.8481","0.0005","90","","103.898","0.002","90","","244.66","0.02","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","","Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof","Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments","Acta Crystallographica Section A","2014","70","1","72","91","10.1107/S2053273313028313","","","0.71073","MoKα","","0.0103","0.0103","","","0.0185","0.0185","","","","","","1.465","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310127","6.095","0.0005","3.4881","0.0003","11.8462","0.0009","90","","103.842","0.003","90","","244.54","0.03","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 O6 -","- C2 H6 O6 -","- C4 H12 O12 -","2","0.5","","Kamiński, Radosław; Domagała, Sławomir; Jarzembska, Katarzyna N.; Hoser, Anna A.; Sanjuan-Szklarz, W. Fabiola; Gutmann, Matthias J.; Makal, Anna; Malińska, Maura; Bak, Joanna M.; Woźniak, Krzysztof","Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments","Acta Crystallographica Section A","2014","70","1","72","91","10.1107/S2053273313028313","","","0.71073","MoKα","","0.0136","0.0136","","","0.0185","0.0185","","","","","","1.206","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310129","12.402","0.003","6.47","0.002","6.321","0.002","90","","93.69","0.02","90","","506.2","0.3","100","","100","","","","","","","","","3","C 1 2/m 1","-C 2y","12","2-methyl-1,3-cyclopentanedione","2-methyl-1,3-cyclopentanedione","","- C6 H8 O2 -","- C6 H8 O2 -","- C24 H32 O8 -","4","0.5","PI5017","Nassour, Ayoub; Kubicki, Maciej; Wright, Jonathan; Borowiak, Teresa; Dutkiewicz, Grzegorz; Lecomte, Claude; Jelsch, Christian","Charge-density analysis using multipolar atom and spherical charge models: 2-methyl-1,3-cyclopentanedione, a compound displaying a resonance-assisted hydrogen bond.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","2","197","211","10.1107/S2052520613031375","","","0.21784","synchrotron","","0.0346","0.0341","","","0.0303","0.0307","","","","","","1.045","","","","has coordinates,has Fobs","201404","2020-10-21","18:00:00",""
"2310130","9.854","0.003","9.249","0.003","10.144","0.002","90","","90","","90","","924.5","0.4","9","2","9","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.5166","synchrotron","","0.029","0.026","","","","0.063","","","","","","1.761","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2310131","9.853","0.004","9.251","0.005","10.145","0.002","90","","90","","90","","924.7","0.7","30","2","30","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.5166","synchrotron","","0.032","0.028","","","","0.066","","","","","","1.442","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2310132","9.866","0.007","9.25","0.007","10.149","0.006","90","","90","","90","","926.2","1.1","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.5166","synchrotron","","0.029","0.026","","","","0.065","","","","","","1.479","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2310133","9.884","0.006","9.253","0.006","10.155","0.003","90","","90","","90","","928.7","0.9","75","2","75","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.5166","synchrotron","","0.033","0.028","","","","0.074","","","","","","2.018","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2310134","9.9026","0.0002","9.2485","0.0002","10.1662","0.0002","90","","90","","90","","931.06","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.7107","MoKα","","0.057","0.031","","","","0.066","","","","","","2.809","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2310135","9.9408","0.0002","9.2479","0.0002","10.1875","0.0002","90","","90","","90","","936.55","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.7107","MoKα","","0.051","0.029","","","","0.069","","","","","","2.962","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2310136","9.9748","0.0002","9.2492","0.0002","10.2103","0.0002","90","","90","","90","","941.99","0.03","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.7107","MoKα","","0.066","0.029","","","","0.074","","","","","","2.118","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2310137","10.0123","0.0002","9.2556","0.0002","10.2441","0.0002","90","","90","","90","","949.32","0.03","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.7107","MoKα","","0.047","0.025","","","","0.063","","","","","","3.837","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2310138","9.854","0.003","9.249","0.003","10.144","0.002","90","","90","","90","","924.5","0.4","9","","9","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-hydroxyproline monohydrate","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.85","neutron","","","0.0272","","","","0.0245","","","","","","0.991","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310139","9.9408","0.0002","9.2479","0.0002","10.1875","0.0002","90","","90","","90","","936.55","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-hydroxyproline monohydrate","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.85","neutron","","","0.0393","","","","0.0335","","","","","","0.9951","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310140","9.9748","0.0002","9.2492","0.0002","10.2103","0.0002","90","","90","","90","","941.99","0.03","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-hydroxyproline monohydrate","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.85","neutron","","","0.0449","","","","0.0447","","","","","","0.9986","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310141","10.0123","0.0002","9.2556","0.0002","10.2441","0.0002","90","","90","","90","","949.32","0.03","250","","250","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-hydroxyproline monohydrate","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.85","neutron","","","0.0511","","","","0.0502","","","","","","0.9945","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310142","10.1602","0.0002","10.4228","0.0002","16.3042","0.0003","90","","90","","90","","1726.58","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O7 -","- C16 H26 N2 O7 -","- C64 H104 N8 O28 -","4","1","","Kolstoe, Simon E.; Jenvey, Michelle C.; Purvis, Alan; Light, Mark E.; Thompson, Darren; Hughes, Peter; Pepys, Mark B.; Wood, Stephen P.","Interaction of serum amyloid P component with hexanoyl bis(<small>D</small>-proline) (CPHPC)","Acta Crystallographica Section D","2014","70","8","2232","2240","10.1107/S1399004714013455","","","0.71073","MoKα","","0.042","0.037","","","0.0823","0.0857","","","","","","1.089","","","","has coordinates,has disorder","176809","2020-10-21","18:00:00",""
"2310143","10.905","0.002","5.2338","0.001","11.439","0.002","90","","101.36","0.03","90","","640.1","0.2","25","","25","","","","","","","","","4","P 1 21 1","P 2yb","4","L-phenylalaninium hydrogen maleate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","KX5029","Woińska, Magdalena; Jayatilaka, Dylan; Spackman, Mark A.; Edwards, Alison J.; Dominiak, Paulina M.; Woźniak, Krzysztof; Nishibori, Eiji; Sugimoto, Kunihisa; Grabowsky, Simon","Hirshfeld atom refinement for modelling strong hydrogen bonds","Acta Crystallographica Section A","2014","70","5","483","498","10.1107/S2053273314012443","","","0.354","synchrotron","","","0.0201","","","0.0211","","","","","","","0.86","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2310144","10.905","0.002","5.2338","0.001","11.439","0.002","90","","101.36","0.03","90","","640.1","0.2","25","","12","","","","","","","","","4","P 1 21 1","P 2yb","4","L-phenylalaninium hydrogen maleate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","KX5029","Woińska, Magdalena; Jayatilaka, Dylan; Spackman, Mark A.; Edwards, Alison J.; Dominiak, Paulina M.; Woźniak, Krzysztof; Nishibori, Eiji; Sugimoto, Kunihisa; Grabowsky, Simon","Hirshfeld atom refinement for modelling strong hydrogen bonds","Acta Crystallographica Section A","2014","70","5","483","498","10.1107/S2053273314012443","","","0.85","neutron","","","0.0294","","","","0.029","","","","","","0.9996","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2310146","7.9798","0.0001","9.5201","0.0001","7.7643","0.0001","90","","106.151","0.001","90","","566.562","0.012","100.1","0.5","100.1","0.5","","","","","","","crystallized from solution","4","P 1 21/c 1","-P 2ybc","14","glycylglycine","2-[(2-Aminoacetyl)amino]acetic acid","","- C4 H8 N2 O3 -","- C4 H8 N2 O3 -","- C16 H32 N8 O12 -","4","1","TD5019","Dos Santos, Leonardo H. R.; Genoni, Alessandro; Macchi, Piero","Unconstrained and X-ray constrained extremely localized molecular orbitals: analysis of the reconstructed electron density","Acta Crystallographica Section A","2014","70","6","532","551","10.1107/S2053273314019652","","","0.7107","MoKα","","0.029","0.017","","","","0.034","","","","","","0.804","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310756","12.7628","0.0004","12.6564","0.0004","9.6348","0.0003","90","","117.6","0.001","90","","1379.22","0.08","293","","293","","","","","","","","Webing, Austria","4","P 1 21/n 1","-P 2yn","14","","","wagnerite","- F Mg2 O4 P -","- F Mg2 O4 P -","- F16 Mg32 O64 P16 -","16","4","","Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas","Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","2","243","258","10.1107/S2052520613031247","","","0.71073","MoKα","","0.0256","0.0232","","","0.0384","0.0389","","","","2.85","2.85","2.71","","","","has coordinates","201408","2020-10-21","18:00:00",""
"2310757","13.0183","0.0002","6.4149","0.0001","9.8411","0.0001","90","","118.562","0.001","90","","721.823","0.019","293","","293","","","","","","","","Panasqueira mine, Portugal","5","C 1 2/c 1","-C 2yc","15","","","wagnerite","- F Fe1.078 Mg0.922 O4 P -","- F Fe1.0784 Mg0.9216 O4 P -","- F8 Fe8.6272 Mg7.3728 O32 P8 -","8","1","","Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas","Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","2","243","258","10.1107/S2052520613031247","","","0.71073","MoKα","","0.0252","0.0217","","","0.0629","0.064","","","","1.9","1.9","1.75","","","","has coordinates","201408","2020-10-21","18:00:00",""
"2310758","12.884","0.0002","6.3889","0.0001","9.7384","0.0001","90","","117.799","0.001","90","","709.098","0.018","293","","293","","","","","","","","H\%alsj\""oberg, Sweden","5","C 1 2/c 1","-C 2yc","15","","","wagnerite","- F Fe0.649 Mg1.351 O4 P -","- F Fe0.6309 Mg1.3691 O4 P -","- F8 Fe5.0472 Mg10.9528 O32 P8 -","8","1","","Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas","Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","2","243","258","10.1107/S2052520613031247","","","0.71073","MoKα","","0.0243","0.0228","","","0.0643","0.0647","","","","2.15","2.15","2.06","","","","has coordinates","201408","2020-10-21","18:00:00",""
"2310759","12.7978","0.0002","6.3523","0.0001","9.6642","0.0001","90","","117.567","0.001","90","","696.46","0.018","293","","293","","","","","","","","Khyakhta, Russia","5","C 1 2/c 1","-C 2yc","15","","","wagnerite","- F Fe0.185 Mg1.815 O4 P -","- F Fe0.1855 Mg1.8145 O4 P -","- F8 Fe1.484 Mg14.516 O32 P8 -","8","1","","Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas","Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","2","243","258","10.1107/S2052520613031247","","","0.71073","MoKα","","0.0611","0.0306","","","0.0788","0.0909","","","","2.05","2.05","1.63","","","","has coordinates","201408","2020-10-21","18:00:00",""
"2310760","12.7707","0.0002","6.3394","0.0001","9.6462","0.0001","90","","117.524","0.0005","90","","692.553","0.017","293","","293","","","","","","","","Reynolds Range, Australia","5","C 1 2/c 1","-C 2yc","15","","","wagnerite","- F Fe0.029 Mg1.971 O4 P -","- F Fe0.0292 Mg1.9707 O4 P -","- F8 Fe0.2336 Mg15.7656 O32 P8 -","8","1","","Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas","Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","2","243","258","10.1107/S2052520613031247","","","0.71073","MoKα","","0.0479","0.0328","","","0.0993","0.1036","","","","2.87","2.87","2.38","","","","has coordinates","201408","2020-10-21","18:00:00",""
"2310761","12.7633","0.0004","6.3282","0.0002","9.635","0.0003","90","","117.599","0.0011","90","","689.66","0.04","293","","293","","","","","","","","Webing, Austria","5","C 1 2/c 1","-C 2yc","15","","","wagnerite","- F Fe0 Mg2 O4 P -","- F Mg2 O4 P -","- F8 Mg16 O32 P8 -","8","1","","Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas","Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","2","243","258","10.1107/S2052520613031247","","","0.71073","MoKα","","0.0167","0.0158","","","0.0544","0.0549","","","","2.04","2.04","2.01","","","","has coordinates","201408","2020-10-21","18:00:00",""
"2310762","7.9429","0.0003","17.624","0.0005","17.6229","0.0006","90","","90","","90","","2466.95","0.14","293","","295","","","","","","","","","4","C m m 2 (2*c,a,b)","C 2 -2 (1/2*z,x,y)","35","","","","- Ba0.761 Ca0.239 Nb2 O6 -","- Ba0.76656 Ca0.23584 Nb2 O6 -","- Ba15.3312 Ca4.7168 Nb40 O120 -","20","","DK5023","Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred","Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","4","743","749","10.1107/S2052520614011676","","","0.71069","MoKα","","0.033","0.0271","","","0.0345","0.0361","","","","1.56","1.56","1.42","","","","has coordinates","201409","2020-10-21","18:00:00",""
"2310763","12.4476","0.0004","12.4476","0.0004","7.9291","0.0004","90","","90","","90","","1228.56","0.08","293","","293","","","","","","","","","4","P 4 b m (a,b,2*c)","P 4 -2ab (x,y,1/2*z)","100","","","","- Ba0.761 Ca0.239 Nb2 O6 -","- Ba0.761 Ca0.23536 Nb2 O6 -","- Ba7.61 Ca2.3536 Nb20 O60 -","10","","DK5023","Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred","Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","4","743","749","10.1107/S2052520614011676","","","0.7107","MoKα","","0.032","0.0266","","","0.0373","0.039","","","","1.6","1.6","1.48","","","","has coordinates","201409","2020-10-21","18:00:00",""
"2310764","12.4608","0.0005","12.4608","0.0005","7.9185","0.0007","90","","90","","90","","1229.52","0.13","293","","293","","","","","","","","","4","P 4 b m (a,b,2*c)","P 4 -2ab (x,y,1/2*z)","100","","","","- Ba0.693 Ca0.307 Nb2 O6 -","- Ba0.69456 Ca0.30672 Nb2 O6 -","- Ba6.9456 Ca3.0672 Nb20 O60 -","10","","DK5023","Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred","Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","4","743","749","10.1107/S2052520614011676","","","0.7107","MoKα","","0.0317","0.0296","","","0.0459","0.0467","","","","2.11","2.11","2.02","","","","has coordinates","201409","2020-10-21","18:00:00",""
"2310765","10.8498","0.0001","6.5247","0.0001","21.3826","0.0003","90","","98.246","0.001","90","","1498.06","0.03","97","0.1","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 F N O2 -","- C17 H22 F N O2 -","- C68 H88 F4 N4 O8 -","4","1","DK5025","Schönleber, Andreas; van Smaalen, Sander; Weiss, Hans Christoph; Kesel, Andreas J.","N-H...O and C-H...F hydrogen bonds in the incommensurately modulated crystal structure of adamantan-1-ammonium 4-fluorobenzoate.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","4","652","659","10.1107/S2052520614007707","","x-ray","1.5418","CuKα","","0.0953","0.0511","","","0.0618","0.0713","","","","2.17","2.17","1.76","","","","has coordinates","201409","2020-10-21","18:00:00",""
"2310770","5.521","0.0002","47.781","0.003","4.334","0.0002","90","","90","","90","","1143.3","0.1","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","Cu3 Sn1","","","- Cu3 Sn -","- Cu3 Sn -","- Cu60 Sn20 -","20","1.25","DQ5008","Müller, Carola J; Lidin, Sven","Cu~3~Sn - understanding the systematic absences.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","5","879","887","10.1107/S205252061401806X","","x-ray","0.7107","MoKα","","0.0966","0.0382","","","0.13","0.1719","","","","1.52","1.52","1.17","","","","has coordinates","201366","2020-10-21","18:00:00",""
"2310771","5.5185","0.0003","47.768","0.002","4.332","0.0002","90","","90","","90","","1141.95","0.09","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Cu3 Sn -","- Cu3 Sn -","- Cu60 Sn20 -","20","1.25","DQ5008","Müller, Carola J; Lidin, Sven","Cu~3~Sn - understanding the systematic absences.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","5","879","887","10.1107/S205252061401806X","","x-ray","0.7107","MoKα","","0.0652","0.0287","","","0.0921","0.1068","","","","2.2","2.2","1.62","","","","has coordinates","201366","2020-10-21","18:00:00",""
"2310772","5.5196","0.0001","38.2386","0.0012","4.3321","0.0001","90","","90","","90","","914.34","0.04","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Cu3 Sn -","- Cu3 Sn -","- Cu48 Sn16 -","16","1","DQ5008","Müller, Carola J; Lidin, Sven","Cu~3~Sn - understanding the systematic absences.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","5","879","887","10.1107/S205252061401806X","","x-ray","0.7107","MoKα","","0.0419","0.0256","","","0.0904","0.0965","","","","2.54","2.54","1.96","","","","has coordinates","201366","2020-10-21","18:00:00",""
"2310773","5.5184","0.0002","38.2337","0.0015","4.3326","0.0002","90","","90","","90","","914.13","0.06","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Cu3 Sn -","- Cu3 Sn -","- Cu48 Sn16 -","16","1","DQ5008","Müller, Carola J; Lidin, Sven","Cu~3~Sn - understanding the systematic absences.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","5","879","887","10.1107/S205252061401806X","","x-ray","0.7107","MoKα","","0.0394","0.0224","","","0.0538","0.0632","","","","1.48","1.48","1.26","","","","has coordinates","201366","2020-10-21","18:00:00",""
"2310774","5.5199","0.0001","47.7904","0.0009","4.3326","0.0001","90","","90","","90","","1142.93","0.04","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Cu3 Sn -","- Cu3 Sn -","- Cu60 Sn20 -","20","1.25","DQ5008","Müller, Carola J; Lidin, Sven","Cu~3~Sn - understanding the systematic absences.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","5","879","887","10.1107/S205252061401806X","","x-ray","0.7107","MoKα","","0.0467","0.0228","","","0.0797","0.0884","","","","2.23","2.23","1.71","","","","has coordinates","201366","2020-10-21","18:00:00",""
"2310775","5.528","0.002","4.783","0.004","4.3391","0.0018","90","0.06","90","0.03","90","0.06","114.73","0.11","293","","293","","","","","","","","","2","P m m a (2*b+1/4,c,a-1/3)","-P 2a 2a (1/2*y,z+1/3,x-1/4)","51","","","","- Cu3.048 Sn0.952 -","- Cu3.048 Sn0.952 -","- Cu6.096 Sn1.904 -","2","","DQ5008","Müller, Carola J; Lidin, Sven","Cu~3~Sn - understanding the systematic absences.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","5","879","887","10.1107/S205252061401806X","","x-ray","0.71073","MoKα","","0.078","0.035","","","0.0834","0.1027","","","","1.63","1.63","1.34","","","","has coordinates","201366","2020-10-21","18:00:00",""
"2310776","5.525","0.002","4.781","0.003","4.3385","0.0017","90","","90","","90","","114.6","0.09","293","","293","","","","","","","","","2","P m m a (2*b+1/4,c,a-1/3)","-P 2a 2a (1/2*y,z+1/3,x-1/4)","51","","","","- Cu3.027 Sn0.973 -","- Cu3.0266 Sn0.9734 -","- Cu6.0532 Sn1.9468 -","2","","DQ5008","Müller, Carola J; Lidin, Sven","Cu~3~Sn - understanding the systematic absences.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","5","879","887","10.1107/S205252061401806X","","x-ray","0.71073","MoKα","","0.0799","0.0383","","","0.0954","0.1118","","","","1.99","1.99","1.52","","","","has coordinates","201366","2020-10-21","18:00:00",""
"2310777","5.529","0.002","4.787","0.003","4.3381","0.0017","90","","90","","90","","114.82","0.09","293","","293","","","","","","","","","2","P m m a (2*b+1/4,c,a-1/3)","-P 2a 2a (1/2*y,z+1/3,x-1/4)","51","","","","- Cu3.031 Sn0.969 -","- Cu3.0314 Sn0.9686 -","- Cu6.0628 Sn1.9372 -","2","","DQ5008","Müller, Carola J; Lidin, Sven","Cu~3~Sn - understanding the systematic absences.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","5","879","887","10.1107/S205252061401806X","","x-ray","0.7107","MoKα","","0.0558","0.0403","","","0.1193","0.1354","","","","3.23","3.23","2.9","","","","has coordinates","201366","2020-10-21","18:00:00",""
"2310778","5.523","0.003","4.783","0.003","4.336","0.002","90","","90","","90","","114.54","0.11","293","","293","","","","","","","","","2","P m m a (2*b+1/4,c,a-1/3)","-P 2a 2a (1/2*y,z+1/3,x-1/4)","51","","","","- Cu3.022 Sn0.978 -","- Cu3.022 Sn0.978 -","- Cu6.044 Sn1.956 -","2","","DQ5008","Müller, Carola J; Lidin, Sven","Cu~3~Sn - understanding the systematic absences.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","5","879","887","10.1107/S205252061401806X","","x-ray","0.71073","MoKα","","0.0742","0.0561","","","0.1232","0.129","","","","2.9","2.9","2.34","","","","has coordinates","201366","2020-10-21","18:00:00",""
"2310779","5.529","0.002","4.788","0.002","4.3411","0.0019","90","","90","","90","","114.92","0.08","293","","293","","","","","","","","","2","P m m a (2*b,c,a)","-P 2a 2a (1/2*y,z,x)","51","","","","- Cu3.013 Sn0.987 -","- Cu3.013 Sn0.987 -","- Cu6.026 Sn1.974 -","2","","DQ5008","Müller, Carola J; Lidin, Sven","Cu~3~Sn - understanding the systematic absences.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","5","879","887","10.1107/S205252061401806X","","x-ray","0.71073","MoKα","","0.0778","0.0475","","","0.1237","0.1327","","","","2.8","2.8","2.08","","","","has coordinates","201366","2020-10-21","18:00:00",""
"2310787","20.1131","0.0013","8.2769","0.0006","9.109","0.003","90","","106.338","0.016","90","","1455.2","0.5","350","","350","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- O7 P2 Zn2 -","- O7 P2 Zn2 -","- O84 P24 Zn24 -","12","1.5","","Stöger, Berthold; Weil, Matthias; Dušek, Michal","The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","3","539","554","10.1107/S205252061401049X","","x-ray","0.71073","MoKα","","0.0198","0.0159","","","0.0222","0.0229","","","","1.53","1.53","1.47","","","","has coordinates","201400","2020-10-21","18:00:00",""
"2310788","6.6082","0.0002","8.2821","0.0003","4.5238","0.0002","90","","105.439","0.0017","90","","238.652","0.016","400","","400","","","","","","","","","3","C 1 2/m 1","-C 2y","12","zinc pyrophosphate","zinc(II) diphosphate(V)","","- O7 P2 Zn2 -","- O7 P2 Zn2 -","- O14 P4 Zn4 -","2","0.25","","Stöger, Berthold; Weil, Matthias; Dušek, Michal","The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","3","539","554","10.1107/S205252061401049X","","x-ray","0.71073","MoKα","","0.0609","0.0255","","","0.0356","0.0397","","","","1.68","1.68","1.24","","","","has coordinates","201400","2020-10-21","18:00:00",""
"2310789","6.6053","0.0002","8.2821","0.0002","4.5243","0.0001","90","","105.416","0.0014","90","","238.6","0.011","405","","405","","","","","","","","","3","C 1 2/m 1","-C 2y","12","zinc pyrophosphate","zinc(II) diphosphate(V)","","- O7 P2 Zn2 -","- O7 P2 Zn2 -","- O14 P4 Zn4 -","2","0.25","","Stöger, Berthold; Weil, Matthias; Dušek, Michal","The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","3","539","554","10.1107/S205252061401049X","","x-ray","0.71073","MoKα","","0.0633","0.0242","","","0.0327","0.038","","","","1.55","1.55","1.18","","","","has coordinates","201400","2020-10-21","18:00:00",""
"2310790","6.6041","0.0002","8.2827","0.0002","4.5249","0.0001","90","","105.406","0.0013","90","","238.617","0.011","410","","410","","","","","","","","","3","C 1 2/m 1","-C 2y","12","zinc pyrophosphate","zinc(II) diphosphate(V)","","- O7 P2 Zn2 -","- O7 P2 Zn2 -","- O14 P4 Zn4 -","2","0.25","","Stöger, Berthold; Weil, Matthias; Dušek, Michal","The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","3","539","554","10.1107/S205252061401049X","","x-ray","0.71073","MoKα","","0.062","0.0242","","","0.0329","0.0382","","","","1.54","1.54","1.16","","","","has coordinates","201400","2020-10-21","18:00:00",""
"2310791","6.6036","0.0002","8.283","0.0002","4.525","0.0001","90","","105.403","0.0013","90","","238.617","0.011","415","","415","","","","","","","","","3","C 1 2/m 1","-C 2y","12","zinc pyrophosphate","zinc(II) diphosphate(V)","","- O7 P2 Zn2 -","- O7 P2 Zn2 -","- O14 P4 Zn4 -","2","0.25","","Stöger, Berthold; Weil, Matthias; Dušek, Michal","The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","3","539","554","10.1107/S205252061401049X","","x-ray","0.71073","MoKα","","0.0639","0.0243","","","0.0342","0.0391","","","","1.59","1.59","1.16","","","","has coordinates","201400","2020-10-21","18:00:00",""
"2310792","6.6025","0.0002","8.2826","0.0002","4.5251","0.0001","90","","105.4","0.0014","90","","238.575","0.011","420","","420","","","","","","","","","3","C 1 2/m 1","-C 2y","12","zinc pyrophosphate","zinc(II) diphosphate(V)","","- O7 P2 Zn2 -","- O7 P2 Zn2 -","- O14 P4 Zn4 -","2","0.25","","Stöger, Berthold; Weil, Matthias; Dušek, Michal","The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","3","539","554","10.1107/S205252061401049X","","x-ray","0.71073","MoKα","","0.0694","0.0246","","","0.036","0.0414","","","","1.64","1.64","1.19","","","","has coordinates","201400","2020-10-21","18:00:00",""
"2310793","6.6018","0.0002","8.2835","0.0002","4.526","0.0001","90","","105.391","0.0015","90","","238.633","0.011","430","","430","","","","","","","","","3","C 1 2/m 1","-C 2y","12","zinc pyrophosphate","zinc(II) diphosphate(V)","","- O7 P2 Zn2 -","- O7 P2 Zn2 -","- O14 P4 Zn4 -","2","0.25","","Stöger, Berthold; Weil, Matthias; Dušek, Michal","The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","3","539","554","10.1107/S205252061401049X","","x-ray","0.71073","MoKα","","0.0803","0.0266","","","0.0393","0.0439","","","","1.8","1.8","1.22","","","","has coordinates","201400","2020-10-21","18:00:00",""
"2310794","6.6011","0.0002","8.2839","0.0003","4.5266","0.0002","90","","105.387","0.0017","90","","238.655","0.016","450","","450","","","","","","","","","3","C 1 2/m 1","-C 2y","12","zinc pyrophosphate","zinc(II) diphosphate(V)","","- O7 P2 Zn2 -","- O7 P2 Zn2 -","- O14 P4 Zn4 -","2","0.25","","Stöger, Berthold; Weil, Matthias; Dušek, Michal","The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","3","539","554","10.1107/S205252061401049X","","x-ray","0.71073","MoKα","","0.1015","0.0287","","","0.0424","0.0475","","","","1.97","1.97","1.22","","","","has coordinates","201400","2020-10-21","18:00:00",""
"2310795","6.5998","0.0004","8.2845","0.0005","4.53","0.0003","90","","105.335","0.003","90","","238.86","0.03","500","","500","","","","","","","","","3","C 1 2/m 1","-C 2y","12","zinc pyrophosphate","zinc(II) diphosphate(V)","","- O7 P2 Zn2 -","- O7 P2 Zn2 -","- O14 P4 Zn4 -","2","0.25","","Stöger, Berthold; Weil, Matthias; Dušek, Michal","The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2014","70","3","539","554","10.1107/S205252061401049X","","x-ray","0.71073","MoKα","","0.0653","0.0295","","","0.0445","0.0467","","","","2.18","2.18","1.5","","","","has coordinates","201400","2020-10-21","18:00:00",""
"2311212","7.7957","0.0015","27.916","0.006","8.2701","0.0017","90","","90","","90","","1799.8","0.6","150","2","150","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","Bis(4-aminobenzenesulfonamide-κ<i>N</i>^4^)dichloridozinc","","- C12 H16 Cl2 N4 O4 S2 Zn -","- C12 H16 Cl2 N4 O4 S2 Zn -","- C48 H64 Cl8 N16 O16 S8 Zn4 -","4","0.5","LH5676","Benmebarek, Sabrina; Boudraa, Mhamed; Bouacida, Sofiane; Merazig, Hocine; Dénès, George","Bis(4-amino-benzene-sulfonamide-κN (4))di-chlorido-zinc.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 1","m28","9","10.1107/S160053681303417X","","","0.71073","MoKα","","0.0698","0.0403","","","0.0584","0.0666","","","","","","0.995","","","","has coordinates","245685","2020-10-21","18:00:00",""
"2311213","22.937","0.003","9.2022","0.0009","13.2859","0.001","90","","100.749","0.008","90","","2755.1","0.5","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Cyano-3-fluorophenyl 4-(hexadecyloxy)benzoate","","- C30 H40 F N O3 -","- C30 H40 F N O3 -","- C120 H160 F4 N4 O12 -","4","1","IS5333","Usha, M. K.; Srinivas, H. T.; Kant, Rajni; Gupta, Vivek K.; Revannasiddaiah, D.","4-Cyano-3-fluoro-phenyl 4-(hexa-dec-yl-oxy)benzoate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o244","","10.1107/S1600536814001871","","","0.71073","MoKα","","0.1328","0.0587","","","0.1133","0.1464","","","","","","0.957","","","","has coordinates","245686","2020-10-21","18:00:00",""
"2311214","5.9396","0.0006","12.3808","0.0015","30.522","0.003","90","","90","","90","","2244.5","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4-Fluorophenyl)(2-hydroxy-5-methylphenyl)methanone","","- C14 H11 F O2 -","- C14 H11 F O2 -","- C112 H88 F8 O16 -","8","1","HB7191","Dileep, C. S.; Lakshmi Ranganatha, V.; Lokanath, N. K.; Khanum, S. A.; Sridhar, M. A.","(4-Fluoro-phen-yl)(2-hy-droxy-5-methyl-phen-yl)methanone.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o286","","10.1107/S1600536814001883","","","1.54178","CuKα","","0.0541","0.0471","","","0.1288","0.1348","","","","","","1.057","","","","has coordinates","245687","2020-10-21","18:00:00",""
"2311215","9.847","0.002","10.492","0.003","17.819","0.004","90","","90","","90","","1841","0.8","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(Thiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine","","- C20 H14 F3 N S2 -","- C20 H14 F3 N S2 -","- C80 H56 F12 N4 S8 -","4","1","JJ2182","Manjunath, B. C.; Manjula, M.; Raghavendra, K. R.; Ajay Kumar, K.; Lokanath, N. K.","4-(Thio-phen-2-yl)-2-[4-(tri-fluoro-meth-yl)phen-yl]-2,3-di-hydro-1,5-benzo-thia-zepine.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o261","","10.1107/S1600536814002529","","","1.54178","CuKα","","0.0961","0.0846","","","0.2161","0.2394","","","","","","1.034","","","","has coordinates","245688","2020-10-21","18:00:00",""
"2311216","8.5873","0.0009","20.0601","0.0013","10.745","0.0009","90","","97.241","0.008","90","","1836.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-Benzyl(4-{[1-(prop-2-en-1-yl)-1<i>H</i>-1,2,3-triazol-4-yl]methoxy}benzylidene)amine","","- C20 H20 N4 O -","- C20 H20 N4 O -","- C80 H80 N16 O4 -","4","1","SJ5391","Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Shiri, Pezhman; Ozdemir, Namık","(E)-Benz-yl(4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}benzyl-idene)amine.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o264","","10.1107/S1600536814002645","","","0.71073","MoKα","","0.2623","0.0794","","","0.0795","0.1171","","","","","","0.931","","","","has coordinates,has disorder","245689","2020-10-21","18:00:00",""
"2311217","10.5992","0.0008","11.6351","0.001","14.8758","0.0013","95.811","0.007","100.724","0.006","99.838","0.006","1759.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-(4-{[1-(Prop-2-en-1-yl)-1<i>H</i>-1,2,3-triazol-4-yl]methoxy}benzylidene)morpholin-4-amine","","- C17 H21 N5 O2 -","- C17 H21 N5 O2 -","- C68 H84 N20 O8 -","4","2","HG5381","Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Shiri, Pezhman; Ozdemir, Namık","(E)-N-(4-{[1-(Prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}benzyl-idene)morpholin-4-amine.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o289","90","10.1107/S1600536814002827","","","0.71073","MoKα","","0.1748","0.0799","","","0.1796","0.2235","","","","","","0.903","","","","has coordinates,has disorder","245690","2020-10-21","18:00:00",""
"2311218","7.3016","0.0012","7.6855","0.0013","11.4706","0.0019","88.337","0.003","84.87","0.003","89.937","0.003","640.84","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-(4-hydroxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C13 H14 N2 O3 S -","- C13 H14 N2 O3 S -","- C26 H28 N4 O6 S2 -","2","1","LH5689","Fathima, Nikhath; Nagarajaiah, H.; Begum, Noor Shahina","Methyl 4-(4-hy-droxy-phen-yl)-6-methyl-2-sulfanyl-idene-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o306","","10.1107/S1600536814002888","","","0.71073","MoKα","","0.0972","0.0666","","","0.1571","0.2238","","","","","","1.215","","","","has coordinates","245691","2020-10-21","18:00:00",""
"2311219","5.5768","0.0006","9.2288","0.0009","22.574","0.002","85.974","0.001","84.438","0.001","79","0.001","1133.51","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2-((1<i>E</i>)-1-{2-[(2<i>Z</i>)-4-(4-Bromophenyl)-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene]hydrazin-1-ylidene}ethyl)pyridin-1-ium bromide monohydrate","","- C22 H20 Br2 N4 O S -","- C22 H20 Br2 N4 O S -","- C44 H40 Br4 N8 O2 S2 -","2","1","QM2104","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abd El-Alaziz, Ahmed T; Albayati, Mustafa R.","2-((1E)-1-{2-[(2Z)-4-(4-Bromo-phen-yl)-3-phenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene]hydrazin-1-yl-idene}eth-yl)pyridin-1-ium bromide monohydrate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o328","9","10.1107/S160053681400347X","","","0.71073","MoKα","","0.045","0.0351","","","0.0912","0.0949","","","","","","1.087","","","","has coordinates","245692","2020-10-21","18:00:00",""
"2311220","14.942","0.0009","10.8718","0.0007","16.0773","0.001","90","","114.327","0.0008","90","","2379.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium) bis(4-methoxyphenyl)diphosphonate","","- C48 H56 N4 O11 P2 S2 -","- C48 H56 N4 O11 P2 S2 -","- C96 H112 N8 O22 P4 S4 -","2","0.5","RZ5105","Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Younes, Sabry H. H.; Albayati, Mustafa R.","Bis(2-amino-5-benzyl-3-eth-oxy-carbonyl-4,5,6,7-tetra-hydro-thieno[3,2-c]pyridin-5-ium) bis-(4-meth-oxy-phen-yl)di-phos-phon-ate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o348","9","10.1107/S1600536814003766","","","0.71073","MoKα","","0.0699","0.0486","","","0.1171","0.132","","","","","","1.038","","","","has coordinates,has disorder","245693","2020-10-21","18:00:00",""
"2311221","11.714","0.003","8.43","0.002","33.872","0.008","90","","90","","90","","3344.8","1.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[(<i>E</i>)-(Furan-2-yl)methylidene]-2-[4-(2-methylpropyl)phenyl]propanohydrazide","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C144 H176 N16 O16 -","8","1","HG5385","Akkurt, Mehmet; Mohamed, Shaaban K.; Mague, Joel T.; Albayati, Mustafa R.; Younes, Sabry H. H.","N'-[(E)-(Furan-2-yl)methyl-idene]-2-[4-(2-methyl-prop-yl)phen-yl]propano-hydrazide.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o356","","10.1107/S1600536814003936","","","0.71073","MoKα","","0.1219","0.0769","","","0.2012","0.2476","","","","","","1.012","","","","has coordinates","245694","2020-10-21","18:00:00",""
"2311222","22.1371","0.0004","6.1079","0.0001","22.0796","0.0005","90","","113.219","0.002","90","","2743.6","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Cycloheptylidene-<i>N</i>-phenylhydrazinecarbothioamide","","- C14 H19 N3 S -","- C14 H19 N3 S -","- C112 H152 N24 S8 -","8","1","BT6964","Akkurt, Mehmet; Mohamed, Shaaban K.; Mague, Joel T.; Hassan, Alaa A.; Albayati, Mustafa R.","2-Cyclo-heptyl-idene-N-phenyl-hydrazine-carbo-thio-amide.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o359","","10.1107/S1600536814003948","","","1.54178","CuKα","","0.0334","0.03","","","0.0745","0.0771","","","","","","1.065","","","","has coordinates","245695","2020-10-21","18:00:00",""
"2311223","9.9684","0.0002","9.9657","0.0002","16.9818","0.0003","90","","105.929","0.0006","90","","1622.23","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl (2<i>Z</i>)-2-{(2<i>Z</i>)-3-[(cyclopentylidene)amino]-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene}acetate","","- C17 H17 N3 O3 S -","- C17 H17 N3 O3 S -","- C68 H68 N12 O12 S4 -","4","1","GK2605","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","Methyl (2Z)-2-{(2Z)-3-[(cyclo-pentyl-idene)amino]-4-oxo-2-phenyl-imino-1,3-thia-zol-idin-5-yl-idene}acetate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o366","7","10.1107/S1600536814004048","","","1.54178","CuKα","","0.0309","0.0291","","","0.0743","0.0754","","","","","","1.079","","","","has coordinates","245696","2020-10-21","18:00:00",""
"2311224","9.2637","0.0006","11.4091","0.0005","23.331","0.0015","90","","96.93","0.005","90","","2447.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[3-(Morpholin-4-yl)propyl]-4-(3-nitrophenyl)spiro[azetidine-3,9'-xanthen]-2-one","","- C28 H27 N3 O5 -","- C28 H27 N3 O5 -","- C112 H108 N12 O20 -","4","1","SJ5392","Celik, Ismail; Akkurt, Mehmet; Jarrahpour, Aliasghar; Heiran, Roghayeh; Ozdemir, Namık","1-[3-(Morpholin-4-yl)prop-yl]-4-(3-nitro-phen-yl)spiro-[azetidine-3,9'-xanthen]-2-one.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o369","70","10.1107/S160053681400419X","","","0.71073","MoKα","","0.0915","0.0407","","","0.0807","0.0932","","","","","","0.878","","","","has coordinates","245697","2020-10-21","18:00:00",""
"2311225","9.7078","0.0006","9.7134","0.0006","11.1061","0.0007","67.981","0.0009","88.84","0.0009","85.984","0.0009","968.47","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2-((2<i>Z</i>,5<i>Z</i>)-4-oxo-3-phenyl-2-{2-[(1<i>E</i>)-1,2,3,4-tetrahydronaphthalen-1-ylidene]hydrazin-1-ylidene}-1,3-thiazolidin-5-ylidene)acetate","","- C22 H19 N3 O3 S -","- C22 H19 N3 O3 S -","- C44 H38 N6 O6 S2 -","2","1","BT6966","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","Methyl 2-((2Z,5Z)-4-oxo-3-phenyl-2-{2-[(1E)-1,2,3,4-tetra-hydro-naphthalen-1-yl-idene]hydrazin-1-yl-idene}-1,3-thia-zolidin-5-yl-idene)acetate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 4","o436","7","10.1107/S1600536814005285","","","0.71073","MoKα","","0.0466","0.0395","","","0.097","0.1036","","","","","","1.045","","","","has coordinates","245698","2020-10-21","18:00:00",""
"2311226","11.478","0.0012","12.0452","0.0012","17.0439","0.0017","90","","101.306","0.0014","90","","2310.7","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Phenyl-1,2,4-triazaspiro[4.4]non-1-ene-3-thione","","- C12 H13 N3 S -","- C12 H13 N3 S -","- C96 H104 N24 S8 -","8","1","RZ5108","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","4-Phenyl-1,2,4-tri-aza-spiro-[4.4]non-1-ene-3-thione.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 4","o433","4","10.1107/S1600536814005418","","","0.71073","MoKα","","0.0807","0.0588","","","0.1489","0.168","","","","","","1.052","","","","has coordinates","245699","2020-10-21","18:00:00",""
"2311227","21.889","0.0017","5.7384","0.0004","16.6941","0.0013","90","","90","","90","","2096.9","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2-((1<i>E</i>)-1-{2-[(2<i>Z</i>)-3,4-Diphenyl-2,3-dihydro-1,3-thiazol-2-ylidene]hydrazin-1-ylidene}ethyl)pyridin-1-ium bromide monohydrate","","- C22 H21 Br N4 O S -","- C22 H21 Br N4 O S -","- C88 H84 Br4 N16 O4 S4 -","4","1","XU5779","Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","2-((1E)-1-{2-[(2Z)-3,4-Diphenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene]hydrazin-1-yl-idene}eth-yl)pyridin-1-ium bromide monohydrate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 4","o478","9","10.1107/S1600536814006229","","","0.71073","MoKα","","0.0311","0.0265","","","0.0587","0.0602","","","","","","1.047","","","","has coordinates","245700","2020-10-21","18:00:00",""
"2311228","8.1662","0.0009","15.0229","0.0016","16.2889","0.0019","90","","93.903","0.006","90","","1993.7","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl ({[(4<i>E</i>)-1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene]amino}oxy)acetate","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","1","RK2422","Mohandas, T.; Pillai, M. Velayutham; Vidhyasagar, T.; Pasupathy, A.; Sakthivel, P.","Methyl ({[(4E)-1,3-dimethyl-2,6-di-phenyl-piperidin-4-yl-idene]amino}-oxy)acetate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 5","o513","","10.1107/S1600536814006667","","","0.71073","MoKα","","0.0979","0.0713","","","0.1989","0.2139","","","","","","1.058","","","","has coordinates","245701","2020-10-21","18:00:00",""
"2311229","7.5574","0.0015","8.2683","0.0019","9.0056","0.0015","73.01","0.018","69.698","0.017","66.51","0.02","476.22","0.18","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(nicotinamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)nickel(II)","","- C14 H16 N6 Ni O4 S2 -","- C14 H16 N6 Ni O4 S2 -","- C14 H16 N6 Ni O4 S2 -","1","0.5","HY2643","Pandey, Deepanjali; Narvi, Shahid S.; Mehrotra, Gopal K.; Butcher, Raymond J.","Di-aqua-bis-(nicotinamide-κN (1))bis-(thio-cyanato-κN)nickel(II).","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 5","m183","","10.1107/S1600536814006771","","","0.71073","MoKα","","0.0714","0.0462","","","0.1105","0.1248","","","","","","1.031","","","","has coordinates","245702","2020-10-21","18:00:00",""
"2311230","7.3997","0.0002","7.579","0.0001","11.4657","0.0002","93.022","0.0009","105.453","0.0009","104.707","0.0008","594.45","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-{[(<i>Z</i>)-Cyclopentylidene]amino}-3-phenylthiourea","","- C12 H15 N3 S -","- C12 H15 N3 S -","- C24 H30 N6 S2 -","2","1","SJ5395","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","1-{[(Z)-Cyclo-pentyl-idene]amino}-3-phenyl-thio-urea.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 5","o515","","10.1107/S1600536814007028","","","1.54178","CuKα","","0.0505","0.0395","","","0.0908","0.0969","","","","","","1.03","","","","has coordinates","245703","2020-10-21","18:00:00",""
"2311231","9.1016","0.0007","7.5298","0.0006","22.1242","0.0016","90","","93.908","0.003","90","","1512.7","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Chlorophenoxy)-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C17 H13 Cl N2 O2 -","- C17 H13 Cl N2 O2 -","- C68 H52 Cl4 N8 O8 -","4","1","CV5447","Vinutha, N.; Kumar, S. Madan; Shobhitha, S.; Kalluraya, B.; Lokanath, N. K.; Revannasiddaiah, D.","5-(4-Chloro-phen-oxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 5","o560","","10.1107/S1600536814007879","","","1.54178","CuKα","","0.0415","0.039","","","0.1028","0.1051","","","","","","1.034","","","","has coordinates","245704","2020-10-21","18:00:00",""
"2311232","6.5703","0.0002","8.6166","0.0002","16.3411","0.0004","90","","98.685","0.0009","90","","914.52","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>'-[(<i>E</i>)-2-Chlorobenzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide","","- C21 H19 Cl N2 O2 -","- C21 H19 Cl N2 O2 -","- C42 H38 Cl2 N4 O4 -","2","1","SJ5398","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Potgieter, Herman; Albayati, Mustafa R.","N'-[(E)-2-Chloro-benzyl-idene]-2-(6-meth-oxy-naphthalen-2-yl)propano-hydrazide.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","o631","2","10.1107/S1600536814008629","","","1.54178","CuKα","","0.0276","0.026","","","0.0625","0.0635","","","","","","1.053","","","","has coordinates","245705","2020-10-21","18:00:00",""
"2311233","4.616","0.0005","12.8664","0.0015","23.681","0.003","90","","92.676","0.0017","90","","1404.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloro-<i>N</i>'-[(<i>E</i>)-2-chlorobenzylidene]benzohydrazide monohydrate","","- C14 H12 Cl2 N2 O2 -","- C14 H12 Cl2 N2 O2 -","- C56 H48 Cl8 N8 O8 -","4","1","RZ5119","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Potgieter, Herman; Albayati, Mustafa R.","4-Chloro-N'-[(E)-2-chloro-benzyl-idene]benzohydrazide monohydrate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 5","o612","","10.1107/S1600536814008885","","","0.71073","MoKα","","0.061","0.0388","","","0.0851","0.0971","","","","","","1.024","","","","has coordinates","245706","2020-10-21","18:00:00",""
"2311234","12.414","0.003","7.967","0.002","10.994","0.003","90","","112.235","0.011","90","","1006.5","0.5","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Nitrobenzyl methanesulfonate","","- C8 H9 N O5 S -","- C8 H9 N O5 S -","- C32 H36 N4 O20 S4 -","4","1","HB7217","Anuradha, Venkatramu; Madan Kumar, S.; Siddaraju, B. P.; Lokanath, N. K.; Nagendra, P.","2-Nitro-benzyl methane-sulfonate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 5","o616","","10.1107/S160053681400899X","","","1.54178","CuKα","","0.0475","0.0452","","","0.1098","0.1117","","","","","","1.08","","","","has coordinates","245707","2020-10-21","18:00:00",""
"2311235","9.0578","0.0005","9.1324","0.0005","9.4637","0.0005","88.294","0.0008","79.069","0.0007","61.664","0.0006","674.89","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-Phenyl-1,2,4-triazaspiro[4.6]undec-1-ene-3-thione","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C28 H34 N6 S2 -","2","1","HG5394","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","4-Phenyl-1,2,4-tri-aza-spiro-[4.6]undec-1-ene-3-thione.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","o640","","10.1107/S1600536814009817","","","0.71073","MoKα","","0.0407","0.0359","","","0.0913","0.0963","","","","","","1.043","","","","has coordinates","245708","2020-10-21","18:00:00",""
"2311236","26.7145","0.0014","26.7145","0.0014","10.116","0.0005","90","","90","","90","","7219.4","0.6","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","<i>N</i>-(2-{<i>N</i>'-[(1<i>E</i>)-2-Hydroxybenzylidene]hydrazinecarbonyl}phenyl)benzamide","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C336 H272 N48 O48 -","16","1","XU5789","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Potgieter, Herman; Albayati, Mustafa R.","A new polymorph of N-(2-{N'-[(1E)-2-hy-droxy-benzyl-idene]hydrazinecarbon-yl}phen-yl)benzamide.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","o645","6","10.1107/S1600536814010010","","","0.71073","MoKα","","0.0681","0.0456","","","0.0938","0.1074","","","","","","1.04","","","","has coordinates","245709","2020-10-21","18:00:00",""
"2311237","7.5987","0.0012","12.3017","0.0019","13.786","0.002","68.076","0.0017","88.154","0.0018","72.654","0.0018","1136.5","0.3","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-1-[(2<i>E</i>)-3,4-Diphenyl-2,3-dihydro-1,3-thiazol-2-ylidene]-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinium bromide","","- C23 H20 Br N3 O S -","- C23 H20 Br N3 O S -","- C46 H40 Br2 N6 O2 S2 -","2","1","TK5311","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","(Z)-1-[(2E)-3,4-Diphenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene]-2-[1-(4-hy-droxy-phen-yl)ethyl-idene]hydrazinium bromide including an unknown solvate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","o647","8","10.1107/S1600536814010125","","","0.71073","MoKα","","0.0949","0.0576","","","0.1372","0.1565","","","","","","1.008","","","","has coordinates","245710","2020-10-21","18:00:00",""
"2311238","14.7307","0.0003","15.4874","0.0003","13.6541","0.0003","90","","107.11","0.002","90","","2977.18","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9-(3-Bromo-5-chloro-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,6-diphenyl-3,4,9,10-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","","- C33 H27 Br Cl N O4 -","- C33 H27 Br Cl N O4 -","- C132 H108 Br4 Cl4 N4 O16 -","4","1","HG5395","Akkurt, Mehmet; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Gaber, Abdel-Aal M; Albayati, Mustafa R.","9-(3-Bromo-5-chloro-2-hy-droxy-phen-yl)-10-(2-hy-droxy-eth-yl)-3,6-diphenyl-3,4,9,10-tetra-hydro-acridine-1,8(2H,5H)-dione.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","o663","4","10.1107/S1600536814010460","","","0.71073","MoKα","","0.1177","0.0499","","","0.135","0.147","","","","","","0.921","","","","has coordinates,has disorder","245711","2020-10-21","18:00:00",""
"2311239","15.3215","0.0004","14.4905","0.0004","17.5457","0.0005","90","","104.667","0.001","90","","3768.49","0.18","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis(chlorido{<i>N</i>'-[phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]pyridine-2-carbohydrazide-κ^2^<i>N</i>',<i>O</i>}cadmium)","","- C36 H28 Cd2 Cl4 N8 O2 -","- C36 H28 Cd2 Cl4 N8 O2 -","- C144 H112 Cd8 Cl16 N32 O8 -","4","1","RZ5124","Akkurt, Mehmet; Khandar, Ali Akbar; Tahir, Muhammad Nawaz; Afkhami, Farhad Akbari; Yazdi, Seyed Abolfazl Hosseini","Di-μ-chlorido-bis-(chlorido-{N'-[phen-yl(pyridin-2-yl-κN)methyl-idene]pyridine-2-carbohydrazide-κ(2) N',O}cadmium).","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","m213","4","10.1107/S1600536814010630","","","0.71073","MoKα","","0.0951","0.0438","","","0.069","0.0826","","","","","","0.981","","","","has coordinates","245712","2020-10-21","18:00:00",""
"2311240","9.3499","0.0007","9.3601","0.0008","15.2707","0.0015","104.007","0.008","99.366","0.007","107.862","0.007","1192.9","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","Ethyl 5-oxo-4-phenyl-5,6-dihydro-4<i>H</i>-1,3,4-oxadiazine- 2-carboxylate","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","2","IS5362","Shubakara, K.; Chandra, ?; Srikantamurthy, N.; Mahendra, M.; Umesha, K. B.","Ethyl 5-oxo-4-phenyl-5,6-di-hydro-4H-1,3,4-oxadiazine-2-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","o661","","10.1107/S1600536814011106","","","0.71073","MoKα","","0.1011","0.0539","","","0.1334","0.177","","","","","","1.033","","","","has coordinates","245713","2020-10-21","18:00:00",""
"2311241","11.6022","0.0006","10.159","0.0005","12.2368","0.0006","90","","112.853","0.002","90","","1329.1","0.12","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(2-bromobenzyl) ether","","- C14 H12 Br2 O -","- C14 H12 Br2 O -","- C56 H48 Br8 O4 -","4","1","HB7230","Anuradha, Venkatramu; Nagendra, P.; Madan Kumar, S.; Siddaraju, B. P.; Lokanath, N. K.","Bis(2-bromo-benz-yl) ether.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 7","o765","","10.1107/S1600536814011738","","","1.54178","CuKα","","0.077","0.0725","","","0.1863","0.1924","","","","","","1.069","","","","has coordinates","245714","2020-10-21","18:00:00",""
"2311242","8.4488","0.0012","11.5605","0.0017","14.642","0.002","90","","91.565","0.002","90","","1429.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Oxo-<i>N</i>',2-diphenyl-2,3-dihydro-1<i>H</i>-pyrazole-4-carbohydrazide","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C64 H56 N16 O8 -","4","1","BT6982","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Eman A.; Albayati, Mustafa R.","3-Oxo-N',2-diphenyl-2,3-di-hydro-1H-pyrazole-4-carbohydrazide.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 7","o819","20","10.1107/S1600536814012392","","","0.71073","MoKα","","0.0569","0.0428","","","0.1003","0.1124","","","","","","1.026","","","","has coordinates","245715","2020-10-21","18:00:00",""
"2311243","6.2091","0.0009","13.1804","0.0019","17.391","0.003","90","","90","","90","","1423.3","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4'-Phenyl-3,4-dihydro-2<i>H</i>-spiro[naphthalene-1,3'-[1,2,4]triazole]-5'-thione","","- C17 H15 N3 S -","- C17 H15 N3 S -","- C68 H60 N12 S4 -","4","1","XU5795","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","4'-Phenyl-3,4-di-hydro-2H-spiro-[naph-tha-lene-1,3'-[1,2,4]triazole]-5'-thione.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","o740","1","10.1107/S1600536814012409","","","0.71073","MoKα","","0.04","0.0352","","","0.0815","0.0851","","","","","","1.04","","","","has coordinates","245716","2020-10-21","18:00:00",""
"2311244","9.0806","0.0012","9.2444","0.0012","10.7856","0.0014","101.843","0.002","100.175","0.0019","105.948","0.0019","825.48","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[({[4-amino-5-cyano-6-(methylsulfanyl)pyridin-2-yl]carbamoyl}methyl)sulfanyl]acetate monohydrate","","- C13 H18 N4 O4 S2 -","- C13 H18 N4 O4 S2 -","- C26 H36 N8 O8 S4 -","2","1","SJ5406","Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Hussein, Bahgat R. M.; Albayati, Mustafa R.","Ethyl 2-[({[4-amino-5-cyano-6-(methyl-sulfan-yl)pyridin-2-yl]carbamo-yl}meth-yl)sulfan-yl]acetate monohydrate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 7","o745","6","10.1107/S1600536814012495","","","0.71073","MoKα","","0.042","0.037","","","0.0948","0.0994","","","","","","1.053","","","","has coordinates","245717","2020-10-21","18:00:00",""
"2311245","9.2292","0.0009","9.8117","0.001","25.347","0.002","90","","90","","90","","2295.3","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[4-(Trifluoromethyl)phenyl]-1<i>H</i>-benzimidazole","","- C14 H9 F3 N2 -","- C14 H9 F3 N2 -","- C112 H72 F24 N16 -","8","1","LH5706","Krishnamurthy, M. S.; Begum, Noor Shahina","2-[4-(Tri-fluoro-meth-yl)phen-yl]-1H-benzimidazole.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 7","o760","","10.1107/S1600536814012963","","","0.71073","MoKα","","0.0911","0.0563","","","0.1365","0.1591","","","","","","0.898","","","","has coordinates","245718","2020-10-21","18:00:00",""
"2311246","5.2732","0.0007","21.028","0.003","11.9777","0.0016","90","","93.969","0.002","90","","1325","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,4,6-Triamino-<i>N</i>-phenylthieno[2,3-<i>b</i>]pyridine-2-carboxamide","","- C14 H13 N5 O S -","- C14 H13 N5 O S -","- C56 H52 N20 O4 S4 -","4","1","HB7235","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hussein, Bahgat R. M.; Albayati, Mustafa R.","3,4,6-Tri-amino-N-phenyl-thieno[2,3-b]pyridine-2-carboxamide.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 7","o805","","10.1107/S1600536814013981","","","0.71073","MoKα","","0.0447","0.0372","","","0.0946","0.1011","","","","","","1.062","","","","has coordinates","245719","2020-10-21","18:00:00",""
"2311247","4.1054","0.0003","12.0509","0.0008","22.9972","0.0019","90","","91.087","0.006","90","","1137.55","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-{[(Morpholin-4-yl)imino]methyl}benzonitrile","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C48 H52 N12 O4 -","4","1","SU2744","Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Heiran, Roghayeh; Ozdemir, Namık","(E)-4-{[(Morpholin-4-yl)imino]-meth-yl}benzo-nitrile.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 7","o799","","10.1107/S1600536814014020","","","0.71073","MoKα","","0.1852","0.0631","","","0.0702","0.0942","","","","","","0.889","","","","has coordinates","245720","2020-10-21","18:00:00",""
"2311248","7.6396","0.0003","9.9106","0.0004","11.9263","0.0004","103.166","0.002","104.713","0.002","103.308","0.002","809.66","0.06","273","2","273","2","","","","","","","","3","P -1","-P 1","2","chalcone","(<i>E</i>)-1-([1,1'-Biphenyl]-4-yl)-3-(2-methylphenyl)prop-2-en-1-one","","- C22 H18 O -","- C22 H18 O -","- C44 H36 O2 -","2","1","JJ2188","Shanthi, D.; Vidhya Sagar, T.; Kayalvizhi, M.; Vasuki, G.; Thiruvalluvar, A.","(E)-1-([1,1'-Biphen-yl]-4-yl)-3-(2-methyl-phen-yl)prop-2-en-1-one.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 7","o809","10","10.1107/S1600536814014317","","","0.71073","MoKα","","0.0681","0.0482","","","0.1346","0.1511","","","","","","1.055","","","","has coordinates","245721","2020-10-21","18:00:00",""
"2311249","9.7068","0.0008","10.3836","0.0009","14.2041","0.0011","73.739","0.006","75.922","0.006","63.107","0.006","1214.33","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-[3-(Morpholin-4-yl)propyl]-3-[(naphthalen-2-yl)oxy]-4-(3-nitrophenyl)azetidin-2-one","","- C26 H27 N3 O5 -","- C26 H27 N3 O5 -","- C52 H54 N6 O10 -","2","1","HG5396","Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Heiran, Roghayeh; Ozdemir, Namık","1-[3-(Morpholin-4-yl)prop-yl]-3-[(naph-tha-len-2-yl)oxy]-4-(3-nitro-phen-yl)azeti-din-2-one.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 8","o833","4","10.1107/S1600536814014949","","","0.71073","MoKα","","0.1444","0.0664","","","0.1424","0.1758","","","","","","0.946","","","","has coordinates","245722","2020-10-21","18:00:00",""
"2311250","5.0716","0.0005","20.939","0.0012","20.1516","0.0018","90","","96.457","0.007","90","","2126.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2,4-Dichlorophenoxy)-1-(4-methoxybenzyl)-4-(4-nitrophenyl)azetidin-2-one","","- C23 H18 Cl2 N2 O5 -","- C23 H18 Cl2 N2 O5 -","- C92 H72 Cl8 N8 O20 -","4","1","SU2747","Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Heiran, Roghayeh; Ozdemir, Namık","3-(2,4-Di-chloro-phen-oxy)-1-(4-meth-oxy-benz-yl)-4-(4-nitro-phen-yl)azetidin-2-one.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 8","o835","6","10.1107/S1600536814015013","","","0.71073","MoKα","","0.1166","0.0416","","","0.0502","0.061","","","","","","0.847","","","","has coordinates","245723","2020-10-21","18:00:00",""
"2311251","8.306","0.0004","10.5048","0.0006","17.9795","0.0009","90","","100.598","0.005","90","","1542","0.14","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-3-(4-methoxyphenyl)-3-(methylsulfanyl)acrylonitrile","","- C17 H14 Cl N O S -","- C17 H14 Cl N O S -","- C68 H56 Cl4 N4 O4 S4 -","4","1","SU2787","Kumar, Shamantha; Hosamani, Amar A.; Vinayaka, A. C.; Sadashiva, M. P.; Doreswamy, B. H.","Crystal structure of 2-(4-chloro-phen-yl)-3-(4-meth-oxy-phen-yl)-3-(methyl-sulfanyl)-acrylo-nitrile.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 11","o1155","","10.1107/S1600536814021576","","","0.71073","MoKα","","0.0602","0.0455","","","0.1041","0.1138","","","","","","1.037","","","","has coordinates","245724","2020-10-21","18:00:00",""
"2311252","9.4358","0.0005","10.7862","0.0006","20.2246","0.0011","90","","92.159","0.001","90","","2056.93","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ethyl 5-(3-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-7-methyl-3-oxo-2<i>H</i>,3<i>H</i>,5<i>H</i>-[1,3]thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","","- C23 H18 F2 N2 O3 S -","- C23 H18 F2 N2 O3 S -","- C92 H72 F8 N8 O12 S4 -","4","1","LH5711","Krishnamurthy, M. S.; Nagarajaiah, H.; Begum, Noor Shahina","Crystal structure of ethyl 5-(3-fluoro-phen-yl)-2-[(4-fluoro-phen-yl)methyl-idene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 11","o1187","8","10.1107/S1600536814023010","","","0.71073","MoKα","","0.0474","0.0401","","","0.1003","0.104","","","","","","1.062","","","","has coordinates","245725","2020-10-21","18:00:00",""
"2311253","8.281","0.003","9.68","0.004","12.821","0.005","76.423","0.01","86.308","0.01","74.641","0.011","963.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-Acetyl-5-(3-methoxy-phenyl)-3,7-dimethyl-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylic acid ethyl ester","","- C20 H22 N2 O4 S -","- C20 H22 N2 O4 S -","- C40 H44 N4 O8 S2 -","2","1","LH5730","Prasad, N. L.; Krishnamurthy, M. S.; Nagarajaiah, H.; Begum, Noor Shahina","Crystal structure of 2-acetyl-5-(3-methoxyphenyl)-3,7-dimethyl-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 11","o1204","","10.1107/S1600536814023162","","","0.71073","MoKα","","0.1281","0.066","","","0.1492","0.1727","","","","","","0.925","","","","has coordinates,has disorder","245726","2020-10-21","18:00:00",""
"2311254","5.961","0.003","13.374","0.007","20.349","0.011","79.034","0.01","84.831","0.01","85.123","0.01","1582.3","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-(2,4-Dimethylphenyl)-2-(4-trimethylsilyl-1<i>H</i>-1,2,3-triazol-1-yl)ethanone","","- C15 H21 N3 O Si -","- C15 H21 N3 O Si -","- C60 H84 N12 O4 Si4 -","4","2","HB7308","Venkatesh, G. B.; Nagarajaiah, H.; Prasad, N. L.; HariPrasad, S.; Begum, Noor Shahina","Crystal structure of 1-(2,4-di-methyl-phen-yl)-2-(4-tri-methyl-silyl-1H-1,2,3-triazol-1-yl)ethanone.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 12","o1253","","10.1107/S1600536814024313","","","0.71073","MoKα","","0.2181","0.0918","","","0.186","0.268","","","","","","1.03","","","","has coordinates","245727","2020-10-21","18:00:00",""
"2311255","24.746","0.005","9.6879","0.0017","16.757","0.003","90","","92.022","0.005","90","","4014.8","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-(2-Fluorobenzylidene)-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","","- C23 H18 F2 N2 O3 S -","- C23 H18 F2 N2 O3 S -","- C184 H144 F16 N16 O24 S8 -","8","1","LH5738","Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of ethyl 2-(2-fluoro-benzyl-idene)-5-(4-fluoro-phen-yl)-7-methyl-3-oxo-2,3-di-hydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carb-oxy-late.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 12","o1270","1","10.1107/S1600536814025008","","","0.71073","MoKα","","0.0456","0.041","","","0.1067","0.1122","","","","","","1.028","","","","has coordinates","245728","2020-10-21","18:00:00",""
"2311629","11.783","0.002","8.5387","0.0017","19.297","0.004","90","","96.03","0.03","90","","1930.8","0.7","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl N O6 -","- C19 H20 Cl N O6 -","- C76 H80 Cl4 N4 O24 -","4","2","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 1","54","62","10.1107/S2052520613026711","","","0.71073","MoKα","","0.0596","0.0556","","","0.145","0.152","","","","","","1.121","","","","has coordinates","246065","2020-10-21","18:00:00",""
"2311630","8.5456","0.0017","11.74","0.002","19.269","0.004","90","","90","","90","","1933.2","0.6","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N O8 -","- C18 H20 Cl N O8 -","- C72 H80 Cl4 N4 O32 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 1","54","62","10.1107/S2052520613026711","","","0.71073","MoKα","","0.041","0.0401","","","0.109","0.1099","","","","","","1.142","","","","has coordinates","246065","2020-10-21","18:00:00",""
"2311631","8.6852","0.0017","15.047","0.003","27.605","0.006","90","","90","","90","","3607.6","1.3","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19.5 Cl N0.5 O7 -","- C18 H19.5 Cl N0.5 O7 -","- C144 H156 Cl8 N4 O56 -","8","2","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 1","54","62","10.1107/S2052520613026711","","","0.71073","MoKα","","0.0581","0.051","","","0.1078","0.1167","","","","","","1.089","","","","has coordinates","279947","2022-12-20","10:58:45",""
"2311632","21.931","0.004","8.6541","0.0017","11.797","0.002","90","","117.57","0.03","90","","1984.7","0.8","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H22 Cl N O8 -","- C17 H17 Cl O6 -","- C68 H68 Cl4 O24 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 1","54","62","10.1107/S2052520613026711","","","0.71073","MoKα","","0.0439","0.0428","","","0.1182","0.1191","","","","","","1.087","","","","has coordinates","246065","2020-10-21","18:00:00",""
"2311633","11.9302","0.0018","7.2371","0.0011","9.6574","0.0014","90","","113.408","0.003","90","","765.2","0.2","4.2","","4.2","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C6 F10 -","- C6 F10 -","- C24 F40 -","4","1","KD5073","Solovyov, Leonid A.; Fedorov, Alexandr S.; Kuzubov, Aleksandr A.","Complete crystal structure of decafluorocyclohex-1-ene at 4.2 K from original neutron diffraction data.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 2","395","397","10.1107/S2052520613031028","powder diffraction","neutron","1.909","neutron","","0.01249","","","","","","","0.01577","1.09056","","","","","","","has coordinates,has disorder","246066","2020-10-21","18:00:00",""
"2311634","22.6348","0.0005","5.825","0.0001","17.8421","0.0004","90","","113.007","0.001","90","","2165.32","0.08","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","'2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine'","","","- C13 H10 N4 -","- C13 H10 N4 -","- C104 H80 N32 -","8","2","EB5029","Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman","Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 2","379","389","10.1107/S2052520614001152","","","0.71073","MoKα","","0.0545","0.0456","","","0.1021","0.1077","","","","","","1.059","","","","has coordinates","246067","2020-10-21","18:00:00",""
"2311635","12.2031","0.0003","7.9798","0.0002","11.6329","0.0003","90","","104.043","0.002","90","","1098.94","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","'2-(1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl)-pyridine'","","","- C13 H9 F N4 -","- C13 H9 F N4 -","- C52 H36 F4 N16 -","4","1","","Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman","Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 2","379","389","10.1107/S2052520614001152","","","0.71073","MoKα","","0.0441","0.0382","","","0.089","0.0921","","","","","","1.052","","","","has coordinates","246067","2020-10-21","18:00:00",""
"2311636","16","0.0011","5.9258","0.0002","24.3829","0.0017","90","","93.109","0.008","90","","2308.4","0.2","120","","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","'2-(1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl)pyridine'","","","- C13 H9 Cl N4 -","- C13 H9 Cl N4 -","- C104 H72 Cl8 N32 -","8","1","","Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman","Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 2","379","389","10.1107/S2052520614001152","","","0.71073","MoKα","","0.0765","0.045","","","0.1125","0.1371","","","","","","1.045","","","","has coordinates","246067","2020-10-21","18:00:00",""
"2311637","5.7797","0.0005","6.7414","0.0004","15.0259","0.0012","90","","92.359","0.004","90","","584.96","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","'2-(1-(p-tolyl)-1H-1,2,3-triazol-4-yl)pyridine'","","","- C14 H12 N4 -","- C14 H12 N4 -","- C28 H24 N8 -","2","1","","Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman","Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 2","379","389","10.1107/S2052520614001152","","","0.71073","MoKα","","0.0716","0.0482","","","0.113","0.1244","","","","","","1.038","","","","has coordinates","246067","2020-10-21","18:00:00",""
"2311638","5.746","0.0001","7.2076","0.0002","15.2997","0.0004","103.045","0.002","98.768","0.002","92.29","0.002","608.25","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","'2-(1-(4-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)pyridine'","","","- C14 H9 F3 N4 -","- C14 H9 F3 N4 -","- C28 H18 F6 N8 -","2","1","","Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman","Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 2","379","389","10.1107/S2052520614001152","","","0.71073","MoKα","","0.0459","0.0398","","","0.1046","0.1092","","","","","","1.028","","","","has coordinates","246067","2020-10-21","18:00:00",""
"2311639","16.0427","0.0019","5.8677","0.0006","24.487","0.003","90","","92.354","0.008","90","","2303.1","0.5","100","","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","'4-(4-(pyridin-2-yl)-1H-1,2,3-triazol-1-yl)benzonitrile'","","","- C14 H9 N5 -","- C14 H9 N5 -","- C112 H72 N40 -","8","1","","Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman","Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 2","379","389","10.1107/S2052520614001152","","","0.71075","MoKα","","0.0562","0.0459","","","0.1147","0.1206","","","","","","1.058","","","","has coordinates","246067","2020-10-21","18:00:00",""
"2311640","3.7837","0.0004","10.8502","0.0016","15.22","0.0017","109.226","0.011","97.056","0.006","91.514","0.009","584.03","0.13","100","","100","2","","","","","","","","4","P 1","P 1","1","'2-(1-(4-Methoxy-phenyl)-1H-1,2,3-triazol-4-yl)pyridine'","","","- C14 H12 N4 O -","- C14 H12 N4 O -","- C28 H24 N8 O2 -","2","2","","Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman","Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 2","379","389","10.1107/S2052520614001152","","","0.71075","MoKα","","0.0734","0.0534","","","0.1074","0.1161","","","","","","1.079","","","","has coordinates","246067","2020-10-21","18:00:00",""
"2311641","10.597","0.0017","14.471","0.002","7.7343","0.0012","90","","90.121","0.006","90","","1186","0.3","100","","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","'4-(4-(pyridin-2-yl)-1H-1,2,3-triazol-1-yl) benzoic acid'","","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C56 H40 N16 O8 -","4","1","EB5029","Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman","Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 2","379","389","10.1107/S2052520614001152","","","0.71075","MoKα","","0.0966","0.0624","","","0.1419","0.1606","","","","","","1.046","","","","has coordinates","246067","2020-10-21","18:00:00",""
"2311642","7.7005","0.0006","11.2405","0.001","13.7322","0.0012","111.249","0.002","90.907","0.002","99.769","0.002","1087.88","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Cl2 F3 N3 O2 S -","- C20 H18 Cl2 F3 N3 O2 S -","- C40 H36 Cl4 F6 N6 O4 S2 -","2","1","GW5030","Panini, Piyush; Venugopala, K. N.; Odhav, Bharti; Chopra, Deepak","Polymorphism in two biologically active dihydropyrimidinium hydrochloride derivatives: quantitative inputs towards the energetics associated with crystal packing.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 4","681","696","10.1107/S2052520614006209","","","0.71073","MoKα","","0.0833","0.0454","","","0.094","0.1071","","","","","","1.007","","","","has coordinates","246068","2020-10-21","18:00:00",""
"2311643","14.8702","0.0011","8.091","0.0005","17.7304","0.0013","90","","92.203","0.002","90","","2131.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Br Cl2 N3 O3 -","- C19 H20 Br Cl2 N3 O3 -","- C76 H80 Br4 Cl8 N12 O12 -","4","1","","Panini, Piyush; Venugopala, K. N.; Odhav, Bharti; Chopra, Deepak","Polymorphism in two biologically active dihydropyrimidinium hydrochloride derivatives: quantitative inputs towards the energetics associated with crystal packing.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 4","681","696","10.1107/S2052520614006209","","","0.71073","MoKα","","0.0642","0.0362","","","0.0744","0.083","","","","","","1.015","","","","has coordinates","246068","2020-10-21","18:00:00",""
"2311644","9.4994","0.0003","14.3694","0.0004","18.1458","0.0005","103.853","0.001","96.528","0.001","106.946","0.002","2255.11","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","NF adipate","","","- C44 H56 F2 N6 O14 -","- C44 H56 F2 N6 O14 -","- C88 H112 F4 N12 O28 -","2","1","OG5069","Xu, Yun; Jiang, Linglei; Mei, Xuefeng","Supramolecular structures and physicochemical properties of norfloxacin salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 4","750","760","10.1107/S2052520614011718","","","0.71073","MoKα","","0.0715","0.045","","","0.1127","0.1317","","","","","","0.986","","","","has coordinates","246069","2020-10-21","18:00:00",""
"2311645","7.4031","0.0003","9.7515","0.0003","30.9801","0.001","88.088","0.002","85.673","0.002","81.38","0.002","2204.38","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","NF mucate","","","- C41 H57 F2 N6 O21 -","- C41 H57 F2 N6 O21 -","- C82 H114 F4 N12 O42 -","2","1","","Xu, Yun; Jiang, Linglei; Mei, Xuefeng","Supramolecular structures and physicochemical properties of norfloxacin salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 4","750","760","10.1107/S2052520614011718","","","0.71073","MoKα","","0.1207","0.0519","","","0.1082","0.1313","","","","","","0.997","","","","has coordinates","246069","2020-10-21","18:00:00",""
"2311646","8.0761","0.0002","14.7184","0.0003","18.777","0.0004","90","","99.269","0.001","90","","2202.83","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NF m-OH-benzoate","","","- C23 H26 F N3 O7 -","- C23 H26 F N3 O7 -","- C92 H104 F4 N12 O28 -","4","1","","Xu, Yun; Jiang, Linglei; Mei, Xuefeng","Supramolecular structures and physicochemical properties of norfloxacin salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 4","750","760","10.1107/S2052520614011718","","","0.71073","MoKα","","0.0421","0.0329","","","0.0805","0.0863","","","","","","1.045","","","","has coordinates","246069","2020-10-21","18:00:00",""
"2311647","9.041","0.003","10.767","0.003","12.438","0.003","89.118","0.019","81.88","0.017","74.64","0.02","1155.5","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","NF naphthalene-1, 5-disulfonicate","","","- C21 H30 F N3 O10 S -","- C21 H30 F N3 O10 S -","- C42 H60 F2 N6 O20 S2 -","2","1","","Xu, Yun; Jiang, Linglei; Mei, Xuefeng","Supramolecular structures and physicochemical properties of norfloxacin salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 4","750","760","10.1107/S2052520614011718","","","0.71073","MoKα","","0.1043","0.047","","","0.0657","0.0752","","","","","","1.077","","","","has coordinates,has disorder","246069","2020-10-21","18:00:00",""
"2311648","11.6515","0.0003","7.4209","0.0002","61.8325","0.0018","90","","90","","90","","5346.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","NF naphthalene-2-sulfonicate","","","- C26 H23 F N3 O10 S -","- C26 H23 F N3 O10 S -","- C208 H184 F8 N24 O80 S8 -","8","1","","Xu, Yun; Jiang, Linglei; Mei, Xuefeng","Supramolecular structures and physicochemical properties of norfloxacin salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 4","750","760","10.1107/S2052520614011718","","","0.71073","MoKα","","0.1241","0.0679","","","0.1431","0.1643","","","","","","1.115","","","","has coordinates,has disorder","246069","2020-10-21","18:00:00",""
"2311649","7.0237","0.0004","9.9645","0.0005","17.4655","0.0009","91.1","0.003","97.543","0.003","109.906","0.003","1136.71","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","NF o-OH-benzoate","","","- C23 H26 F N3 O7 -","- C23 H26 F N3 O7 -","- C46 H52 F2 N6 O14 -","2","1","","Xu, Yun; Jiang, Linglei; Mei, Xuefeng","Supramolecular structures and physicochemical properties of norfloxacin salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 4","750","760","10.1107/S2052520614011718","","","0.71073","MoKα","","0.0909","0.0437","","","0.093","0.1117","","","","","","1.004","","","","has coordinates","246069","2020-10-21","18:00:00",""
"2311650","7.3258","0.0002","19.8297","0.0004","23.9108","0.0005","96.924","0.001","97.21","0.001","96.143","0.001","3394.48","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","NF p-OH-benzoate","","","- C23 H26 F N3 O7 -","- C23 H26 F N3 O7 -","- C138 H156 F6 N18 O42 -","6","3","","Xu, Yun; Jiang, Linglei; Mei, Xuefeng","Supramolecular structures and physicochemical properties of norfloxacin salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 4","750","760","10.1107/S2052520614011718","","","0.71073","MoKα","","0.1322","0.0493","","","0.0958","0.122","","","","","","0.953","","","","has coordinates","246069","2020-10-21","18:00:00",""
"2311651","12.555","0.007","6.16","0.003","14.163","0.006","90","","139.71","0.03","90","","708.3","0.7","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Dimethyl succinate","","","- C6 H10 O4 -","- C6 H10 O4 -","- C24 H40 O16 -","4","0.5","","Joseph, Sumy; Sathishkumar, Ranganathan","Succinate esters: odd-even effects in melting points.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 5","839","846","10.1107/S2052520614013730","","","0.71073","MoKα","","0.0373","0.0356","","","0.0949","0.0966","","","","","","1.109","","","","has coordinates","246070","2020-10-21","18:00:00",""
"2311652","11.953","0.003","8.714","0.003","9.039","0.002","90","","98.367","0.005","90","","931.5","0.4","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Diethyl succinate","","","- C8 H14 O4 -","- C8 H14 O4 -","- C32 H56 O16 -","4","0.5","","Joseph, Sumy; Sathishkumar, Ranganathan","Succinate esters: odd-even effects in melting points.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 5","839","846","10.1107/S2052520614013730","","","0.71073","MoKα","","0.0346","0.0332","","","0.0913","0.0929","","","","","","1.13","","","","has coordinates","246070","2020-10-21","18:00:00",""
"2311653","4.3722","0.0017","7.829","0.003","8.718","0.004","113.011","0.006","90.935","0.006","97.047","0.006","271.92","0.19","90","","90","","","","","","","","","3","P -1","-P 1","2","Di-n-propyl succinate","","","- C10 H18 O4 -","- C10 H18 O4 -","- C10 H18 O4 -","1","0.5","","Joseph, Sumy; Sathishkumar, Ranganathan","Succinate esters: odd-even effects in melting points.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 5","839","846","10.1107/S2052520614013730","","","0.71073","MoKα","","0.033","0.0314","","","0.0804","0.0817","","","","","","1.075","","","","has coordinates","246070","2020-10-21","18:00:00",""
"2311654","10.64","0.003","4.2351","0.0012","15.758","0.003","90","","112.61","0.014","90","","655.5","0.3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dibutyl succinate","","","- C12 H22 O4 -","- C12 H22 O4 -","- C24 H44 O8 -","2","0.5","","Joseph, Sumy; Sathishkumar, Ranganathan","Succinate esters: odd-even effects in melting points.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 5","839","846","10.1107/S2052520614013730","","","0.71073","MoKα","","0.0388","0.0346","","","0.0963","0.1009","","","","","","1.076","","","","has coordinates","246070","2020-10-21","18:00:00",""
"2311655","8.808","0.005","8.553","0.004","6.86","0.004","90","","97.58","0.008","90","","512.3","0.5","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Diallyl succinate","","","- C10 H14 O4 -","- C10 H14 O4 -","- C20 H28 O8 -","2","0.5","","Joseph, Sumy; Sathishkumar, Ranganathan","Succinate esters: odd-even effects in melting points.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 5","839","846","10.1107/S2052520614013730","","","0.71073","MoKα","","0.0537","0.043","","","0.1111","0.123","","","","","","1.042","","","","has coordinates","246070","2020-10-21","18:00:00",""
"2311656","10.219","0.003","8.26","0.003","17.923","0.005","90","","90","","90","","1512.9","0.8","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Dibenzyl succinate","","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","0.5","","Joseph, Sumy; Sathishkumar, Ranganathan","Succinate esters: odd-even effects in melting points.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 5","839","846","10.1107/S2052520614013730","","","0.71073","MoKα","","0.0548","0.0501","","","0.128","0.1316","","","","","","1.075","","","","has coordinates","246070","2020-10-21","18:00:00",""
"2311657","11.7905","0.0003","14.4443","0.0004","12.8825","0.0003","90","","105.195","0.001","90","","2117.26","0.09","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 N2 Ni O4 P2 S4 -","- C42 H46 N2 Ni O4 P2 S4 -","- C84 H92 N4 Ni2 O8 P4 S8 -","2","0.5","BP5066","Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Geeta; Hundal, Maninder S.; Pandey, Sushil K.","Synthesis and structural characterization of donor-stabilized disubstituted diphenyldithiophosphates of nickel(II).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 4","761","767","10.1107/S2052520614014966","","","0.71073","MoKα","","0.0588","0.0362","","","0.092","0.1034","","","","","","1.012","","","","has coordinates","246071","2020-10-21","18:00:00",""
"2311658","9.5505","0.0008","9.801","0.0008","14.2026","0.0012","99.315","0.004","98.447","0.003","112.821","0.003","1176.64","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H54 N2 Ni O4 P2 S4 -","- C46 H54 N2 Ni O4 P2 S4 -","- C46 H54 N2 Ni O4 P2 S4 -","1","0.5","","Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Geeta; Hundal, Maninder S.; Pandey, Sushil K.","Synthesis and structural characterization of donor-stabilized disubstituted diphenyldithiophosphates of nickel(II).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 4","761","767","10.1107/S2052520614014966","","","0.71073","MoKα","","0.0366","0.0285","","","0.0763","0.0837","","","","","","1.036","","","","has coordinates","246071","2020-10-21","18:00:00",""
"2311659","6.9327","0.0006","11.2267","0.001","15.5768","0.0014","102.744","0.003","94.409","0.003","103.785","0.003","1137.67","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H54 N2 Ni O4 P2 S4 -","- C46 H54 N2 Ni O4 P2 S4 -","- C46 H54 N2 Ni O4 P2 S4 -","1","0.5","","Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Geeta; Hundal, Maninder S.; Pandey, Sushil K.","Synthesis and structural characterization of donor-stabilized disubstituted diphenyldithiophosphates of nickel(II).","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 4","761","767","10.1107/S2052520614014966","","","0.71073","MoKα","","0.0491","0.0343","","","0.0886","0.1021","","","","","","0.694","","","","has coordinates","246071","2020-10-21","18:00:00",""
"2311660","4.81","0.002","20.601","0.003","18.831","0.003","90","","91.95","0.02","90","","1864.9","0.9","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","EB5033","Kaczmarek, Małgorzata T; Kubicki, Maciej","The trimorphic structure of N,N'-bis(5-methylsalicylidene)-4-methyl-1,3-phenylenediamine.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 5","792","800","10.1107/S2052520614015078","","","0.71073","MoKα","","0.1852","0.0778","","","0.1599","0.1923","","","","","","1.01","","","","has coordinates","246072","2020-10-21","18:00:00",""
"2311661","21.694","0.003","12.599","0.002","21.236","0.003","90","","93.38","0.02","90","","5794.2","1.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C276 H264 N24 O24 -","12","3","","Kaczmarek, Małgorzata T; Kubicki, Maciej","The trimorphic structure of N,N'-bis(5-methylsalicylidene)-4-methyl-1,3-phenylenediamine.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 5","792","800","10.1107/S2052520614015078","","","1.54178","CuKα","","0.1434","0.0778","","","0.1887","0.2195","","","","","","1.072","","","","has coordinates","246072","2020-10-21","18:00:00",""
"2311662","9.464","0.002","20.64","0.003","19.219","0.003","90","","103.93","0.02","90","","3643.8","1.1","130","1","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C184 H176 N16 O16 -","8","4","","Kaczmarek, Małgorzata T; Kubicki, Maciej","The trimorphic structure of N,N'-bis(5-methylsalicylidene)-4-methyl-1,3-phenylenediamine.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 5","792","800","10.1107/S2052520614015078","","","1.54178","CuKα","","0.0832","0.063","","","0.1677","0.1884","","","","","","1.02","","","","has coordinates","246072","2020-10-21","18:00:00",""
"2311663","6.14102","0.00007","11.8451","0.00016","15.5509","0.0003","90","","90","","90","","1131.19","0.03","100","2","100","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C5 H4 Fe N6 Na2 O3 -","- C5 H4 Fe N6 Na2 O3 -","- C20 H16 Fe4 N24 Na8 O12 -","4","0.5","GW5033","Wenger, Emmanuel; Dahaoui, Slimane; Alle, Paul; Parois, Pascal; Palin, Cyril; Lecomte, Claude; Schaniel, Dominik","XPAD X-ray hybrid pixel detector for charge density quality diffracted intensities on laboratory equipment.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 5","783","791","10.1107/S2052520614017338","","","0.71073","MoKα","","0.0456","0.0245","","","0.056","0.0624","","","","","","0.901","","","","has coordinates","246073","2020-10-21","18:00:00",""
"2311664","6.2372","0.0004","7.1935","0.0005","10.4745","0.0007","94.5207","0.0018","99.8882","0.0018","96.7177","0.0019","457.45","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H11 N O10 -","- C4 H11 N O10 -","- C8 H22 N2 O20 -","2","1","PI5019","Jarzembska, Katarzyna N.; Kamiński, Radosław; Dobrzycki, Lukasz; Cyrański, Michał K","First experimental charge density study using a Bruker CMOS-type PHOTON 100 detector: the case of ammonium tetraoxalate dihydrate.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 5","847","855","10.1107/S2052520614017570","","","0.71073","MoKα","","0.0353","0.0181","","","0.019","0.019","","","","","","0.891","","","","has coordinates","246074","2020-10-21","18:00:00",""
"2311665","8.0454","0.0018","8.0457","0.0018","10.291","0.002","94.31","0.03","104.08","0.03","109.21","0.03","601.3","0.3","235","2","235","2","","","","","","","","5","P -1","-P 1","2","","","","- C1.29 H7.59 Au Cl4 O2 -","- C1.296 H7.596 Au Cl4 O2 -","- C2.592 H15.192 Au2 Cl8 O4 -","2","1","BP5071","Kubus, Mariusz; Ströbele, Markus; Meyer, H Jürgen","Structure of a new chloroauric acid.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 5","897","899","10.1107/S2052520614018563","","","0.71073","MoKα","","0.0464","0.0405","","","0.0849","0.0869","","","","","","0.986","","","","has coordinates","246075","2020-10-21","18:00:00",""
"2311806","9.4373","0.0004","9.5334","0.0004","10.4848","0.0005","109.352","0.002","110.768","0.002","96.643","0.002","802.59","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(5-amino-3-carboxy-4<i>H</i>-1,2,4-triazol-1-ium) hexachloridocadmate(II) tetrahydrate","","- C12 H28 Cd Cl6 N16 O12 -","- C12 H28 Cd Cl6 N16 O12 -","- C12 H28 Cd Cl6 N16 O12 -","1","0.5","KU3133","Bouchene, Rafika; Bouacida, Sofiane; Berrah, Fadila; Roisnel, Thierry","A simple hydrated salt with a complex hydrogen-bonding network: tetrakis(5-amino-3-carboxy-4H-1,2,4-triazol-1-ium) hexachloridocadmate(II) tetrahydrate.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 7","672","676","10.1107/S2053229614012819","","","0.71073","MoKα","","0.0287","0.0262","","","0.0679","0.0694","","","","","","1.05","","","","has coordinates","246123","2020-10-21","18:00:00",""
"2311807","3.9338","0.0005","14.022","0.003","14.126","0.003","90","","90","","90","","779.2","0.3","277","2","277","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Dimethyl-3-nitrobenzene","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Sparkes, Hazel A.; Sage, Henry J.; Yufit, Dmitry S.","In-situ cryocrystallization of 1,2-dimethyl-3-nitrobenzene and 2,4-dimethyl-1-nitrobenzene.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","872","875","10.1107/S2053229614017896","","","0.71073","MoKα","","0.0417","0.0347","","","0.1027","0.1102","","","","","","1.068","","","","has coordinates","246124","2020-10-21","18:00:00",""
"2311808","11.693","0.004","9.738","0.003","7.018","0.001","90","","106.54","0.02","90","","766","0.4","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Dimethyl-1-nitrobenzene","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Sparkes, Hazel A.; Sage, Henry J.; Yufit, Dmitry S.","In-situ cryocrystallization of 1,2-dimethyl-3-nitrobenzene and 2,4-dimethyl-1-nitrobenzene.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","872","875","10.1107/S2053229614017896","","","0.71073","MoKα","","0.1588","0.0768","","","0.2049","0.2648","","","","","","1.019","","","","has coordinates","246124","2020-10-21","18:00:00",""
"2311809","7.8354","0.0008","8.7538","0.0005","18.2615","0.0018","90","","101.041","0.008","90","","1229.36","0.19","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","calcium bromide nonahydrate","Calcium bromide nonahydrate","","- Br2 Ca H18 O9 -","- Br2 Ca H18 O9 -","- Br8 Ca4 H72 O36 -","4","1","QS3039","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. II. Water-rich calcium bromide and iodide hydrates: CaBr2 · 9H2O, CaI2 · 8H2O, CaI2 · 7H2O and CaI2 · 6.5H2O.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","876","881","10.1107/S2053229614018002","","","0.71073","MoKα","","0.0397","0.0357","","","0.0817","0.0843","","","","","","1.096","","","","has coordinates","246125","2020-10-21","18:00:00",""
"2311810","7.4521","0.0014","8.6127","0.0019","10.725","0.002","86.048","0.017","84.184","0.016","72.427","0.016","652.3","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","Calcium iodide octahydrate","Calcium iodide octahydrate","","- Ca H16 I2 O8 -","- Ca H16 I2 O8 -","- Ca2 H32 I4 O16 -","2","1","QS3039","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. II. Water-rich calcium bromide and iodide hydrates: CaBr2 · 9H2O, CaI2 · 8H2O, CaI2 · 7H2O and CaI2 · 6.5H2O.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","876","881","10.1107/S2053229614018002","","","0.71073","MoKα","","0.037","0.0353","","","0.0945","0.096","","","","","","1.184","","","","has coordinates","246125","2020-10-21","18:00:00",""
"2311811","9.841","0.002","16.53","0.005","14.639","0.005","90","","92.17","0.02","90","","2379.6","1.2","200","1","200","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","calcium iodide heptahydrate","Calccium iodide heptahydrate","","- Ca2 H28 I4 O14 -","- Ca2 H28 I4 O14 -","- Ca8 H112 I16 O56 -","4","1","QS3039","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. II. Water-rich calcium bromide and iodide hydrates: CaBr2 · 9H2O, CaI2 · 8H2O, CaI2 · 7H2O and CaI2 · 6.5H2O.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","876","881","10.1107/S2053229614018002","","","0.71073","MoKα","","0.0327","0.0297","","","0.0739","0.0753","","","","","","1.155","","","","has coordinates","280060","2022-12-29","10:53:49",""
"2311812","16.466","0.003","8.2919","0.0011","17.947","0.003","90","","111.045","0.012","90","","2286.9","0.7","153","1","153","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","calcium iodide 6.5 hydrate","Calcium iodide 6.5-hydrate","","- Ca H13 I2 O6.5 -","- Ca H13 I2 O6.5 -","- Ca8 H104 I16 O52 -","8","1","QS3039","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. II. Water-rich calcium bromide and iodide hydrates: CaBr2 · 9H2O, CaI2 · 8H2O, CaI2 · 7H2O and CaI2 · 6.5H2O.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","876","881","10.1107/S2053229614018002","","","0.71073","MoKα","","0.0304","0.026","","","0.069","0.0717","","","","","","1.111","","","","has coordinates","246125","2020-10-21","18:00:00",""
"2311813","7.695","0.0008","17.129","0.001","7.8316","0.0008","90","","115.525","0.008","90","","931.51","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzoyl-2-(propan-2-ylidene)hydrazone","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0473","0.0345","","","0.0862","0.0893","","","","","","0.939","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311814","9.3086","0.0009","18.283","0.002","8.1543","0.0007","90","","103.328","0.007","90","","1350.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzoyl-2-(1-cyclohexylethylidene)hydrazone","","- C15 H20 N2 O -","- C15 H20 N2 O -","- C60 H80 N8 O4 -","4","1","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0537","0.0397","","","0.1047","0.1089","","","","","","0.969","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311815","5.5789","0.0005","7.6868","0.0009","33.128","0.003","90","","90.356","0.007","90","","1420.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzoyl-2-[1-(naphthalen-2-yl)ethylidene]hydrazone","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0564","0.0325","","","0.0759","0.08","","","","","","0.846","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311816","16.0939","0.0015","13.8666","0.0008","16.8556","0.0016","90","","116.661","0.007","90","","3361.7","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Benzoyl-2-(1-cyclohexylbenzylidene)hydrazone","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C160 H176 N16 O8 -","8","1","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0488","0.0359","","","0.0948","0.0979","","","","","","1.058","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311817","16.863","0.001","10.1678","0.0008","18.694","0.002","90","","102.079","0.006","90","","3134.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzoyl-2-(1-phenylbenzylidene)hydrazone","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C160 H128 N16 O8 -","8","2","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0619","0.0336","","","0.0663","0.0719","","","","","","0.814","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311818","19.432","0.004","8.933","0.0018","19.496","0.004","90","","102.18","0.03","90","","3308.1","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzoyl-2-[1-(4-chlorophenyl)benzylidene]hydrazone","","- C20 H15 Cl N2 O -","- C20 H15 Cl N2 O -","- C160 H120 Cl8 N16 O8 -","8","2","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0488","0.0308","","","0.0603","0.0638","","","","","","0.811","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311819","13.382","0.001","8.8183","0.0008","23.275","0.002","90","","90","","90","","2746.6","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzoyl-2-(4-hydroxybenzylidene)hydrazone methanol monosolvate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","1","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0597","0.032","","","0.068","0.0731","","","","","","0.803","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311820","11.1869","0.0008","7.9143","0.0006","20.233","0.002","90","","92.967","0.006","90","","1789","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzoyl-2-(1,1-diphenylpropan-2-ylidene)hydrazone","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0394","0.0304","","","0.0813","0.083","","","","","","1.1","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311821","8.3316","0.0003","16.1749","0.0006","18.1333","0.0006","90","","96.677","0.003","90","","2427.12","0.15","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-Dibromo-5-(4-<i>tert</i>-butylstyryl)2-(naphthalen-1-yl)thieno[3,2-<i>b</i>]thiophene","","- C28 H22 Br2 S2 -","- C28 H22 Br2 S2 -","- C112 H88 Br8 S8 -","4","1","LG3143","Nguyen, Hien; Nguyen Bich, Ngan; Dang, Tung T.; Van Meervelt, Luc","Stacking patterns of thieno[3,2-b]thiophenes functionalized by sequential palladium-catalyzed Suzuki and Heck cross-coupling reactions.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","895","899","10.1107/S2053229614018683","","","0.71073","MoKα","","0.0265","0.0216","","","0.0484","0.0506","","","","","","1.038","","","","has coordinates","246127","2020-10-21","18:00:00",""
"2311822","4.1522","0.0003","13.2861","0.0014","19.6117","0.0018","106.464","0.009","94.945","0.007","93.016","0.007","1030.32","0.17","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","3,6-Dibromo-5-(4-methylstyryl)-2-(naphthalen-1-yl)thieno[3,2-<i>b</i>]thiophene","","- C25 H16 Br2 S2 -","- C25 H16 Br2 S2 -","- C50 H32 Br4 S4 -","2","1","LG3143","Nguyen, Hien; Nguyen Bich, Ngan; Dang, Tung T.; Van Meervelt, Luc","Stacking patterns of thieno[3,2-b]thiophenes functionalized by sequential palladium-catalyzed Suzuki and Heck cross-coupling reactions.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","895","899","10.1107/S2053229614018683","","","0.71073","MoKα","","0.034","0.0279","","","0.0707","0.0742","","","","","","1.06","","","","has coordinates","246127","2020-10-21","18:00:00",""
"2311823","9.5401","0.0012","10.1575","0.0017","12.1711","0.0016","106.933","0.013","98.599","0.011","92.192","0.013","1111.4","0.3","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","3,6-Dibromo-2-(4-<i>tert</i>-butylphenyl)-5-(4-methylstyryl)thieno[3,2-<i>b</i>]thiophene","","- C25 H22 Br2 S2 -","- C25 H22 Br2 S2 -","- C50 H44 Br4 S4 -","2","1","LG3143","Nguyen, Hien; Nguyen Bich, Ngan; Dang, Tung T.; Van Meervelt, Luc","Stacking patterns of thieno[3,2-b]thiophenes functionalized by sequential palladium-catalyzed Suzuki and Heck cross-coupling reactions.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","895","899","10.1107/S2053229614018683","","","0.71073","MoKα","","0.0282","0.024","","","0.0602","0.0626","","","","","","1.051","","","","has coordinates","246127","2020-10-21","18:00:00",""
"2311824","5.0039","0.0007","10.7525","0.0012","12.6177","0.0012","108.615","0.01","91.771","0.011","90.167","0.011","643.01","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Chloro-3-methylphenyl)-2-phenylacetamide","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C30 H28 Cl2 N2 O2 -","2","1","SK3561","Nayak, Prakash S.; Jasinski, Jerry P.; Golen, James A.; Narayana, Badiadka; Kaur, Manpreet; Yathirajan, Hemmige S.; Glidewell, Christopher","Halogenated C,N-diarylacetamides: molecular conformations and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","889","894","10.1107/S2053229614018713","","","1.54184","CuKα","","0.0796","0.063","","","0.1703","0.1866","","","","","","1.094","","","","has coordinates","246128","2020-10-21","18:00:00",""
"2311825","4.9995","0.0003","10.8392","0.0004","12.7301","0.0007","108.149","0.004","91.968","0.005","90.31","0.004","655.05","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Bromo-3-methylphenyl)-2-phenylacetamide","","- C15 H14 Br N O -","- C15 H14 Br N O -","- C30 H28 Br2 N2 O2 -","2","1","SK3561","Nayak, Prakash S.; Jasinski, Jerry P.; Golen, James A.; Narayana, Badiadka; Kaur, Manpreet; Yathirajan, Hemmige S.; Glidewell, Christopher","Halogenated C,N-diarylacetamides: molecular conformations and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","889","894","10.1107/S2053229614018713","","","1.54184","CuKα","","0.0453","0.0418","","","0.1061","0.1097","","","","","","1.066","","","","has coordinates","246128","2020-10-21","18:00:00",""
"2311826","11.8441","0.0007","4.7288","0.0003","13.0981","0.0007","90","","101.31","0.006","90","","719.36","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-(4-Chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide","","- C15 H12 Cl3 N O -","- C15 H12 Cl3 N O -","- C30 H24 Cl6 N2 O2 -","2","1","SK3561","Nayak, Prakash S.; Jasinski, Jerry P.; Golen, James A.; Narayana, Badiadka; Kaur, Manpreet; Yathirajan, Hemmige S.; Glidewell, Christopher","Halogenated C,N-diarylacetamides: molecular conformations and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","889","894","10.1107/S2053229614018713","","","1.54184","CuKα","","0.069","0.0581","","","0.1433","0.155","","","","","","1.067","","","","has coordinates","246128","2020-10-21","18:00:00",""
"2311827","11.8458","0.0008","4.7282","0.0003","25.0757","0.0015","90","","98.133","0.005","90","","1390.35","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Bromo-3-methylphenyl)-2-(2-chlorophenyl)acetamide","","- C15 H13 Br Cl N O -","- C15 H13 Br Cl N O -","- C60 H52 Br4 Cl4 N4 O4 -","4","1","SK3561","Nayak, Prakash S.; Jasinski, Jerry P.; Golen, James A.; Narayana, Badiadka; Kaur, Manpreet; Yathirajan, Hemmige S.; Glidewell, Christopher","Halogenated C,N-diarylacetamides: molecular conformations and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","889","894","10.1107/S2053229614018713","","","0.71073","MoKα","","0.098","0.0635","","","0.1253","0.1407","","","","","","1.082","","","","has coordinates","246128","2020-10-21","18:00:00",""
"2311828","5.4118","0.0004","11.5632","0.0008","11.743","0.0008","109.462","0.007","94.399","0.006","102.509","0.007","667.51","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2-{[(4-Azaniumylphenyl)sulfonyl]azanidyl}pyrimidinium chloride monohydrate","","- C10 H13 Cl N4 O3 S -","- C10 H13 Cl N4 O3 S -","- C20 H26 Cl2 N8 O6 S2 -","2","1","LG3144","Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon","Eight salt forms of sulfadiazine.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","900","907","10.1107/S2053229614018725","","","0.71073","MoKα","","0.0326","0.0292","","","0.0766","0.079","","","","","","1.049","","","","has coordinates","246129","2020-10-21","18:00:00",""
"2311829","5.6468","0.0002","11.2749","0.0004","11.8363","0.0008","64.254","0.005","79.361","0.006","77.687","0.006","659.53","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2-{[(4-azaniumylphenyl)sulfonyl]azanidyl}pyrimidin-1-ium chloride methanol hemisolvate","","- C10.5 H13 Cl N4 O2.5 S -","- C10.5 H13 Cl N4 O2.5 S -","- C21 H26 Cl2 N8 O5 S2 -","2","1","LG3144","Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon","Eight salt forms of sulfadiazine.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","900","907","10.1107/S2053229614018725","","","0.71073","MoKα","","0.033","0.0305","","","0.0799","0.0815","","","","","","1.04","","","","has coordinates,has disorder","246129","2020-10-21","18:00:00",""
"2311830","11.942","0.0003","5.6295","0.0002","21.0659","0.0006","90","","98.38","0.003","90","","1401.09","0.07","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-{[(4-Azaniumylphenyl)sulfonyl]azanidyl}pyrimidin-1-ium bromide monohydrate","","- C10 H13 Br N4 O3 S -","- C10 H11.9 Br N4 O3.001 S -","- C40 H47.6 Br4 N16 O12.004 S4 -","4","1","LG3144","Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon","Eight salt forms of sulfadiazine.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","900","907","10.1107/S2053229614018725","","","0.71073","MoKα","","0.0378","0.0289","","","0.0677","0.0723","","","","","","1.063","","","","has coordinates,has disorder","246129","2020-10-21","18:00:00",""
"2311831","5.7792","0.0004","12.0002","0.0007","12.5214","0.0009","61.964","0.007","87.745","0.005","76.426","0.005","742.51","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-{[(4-azaniumylphenyl)sulfonyl]azanidyl}pyrimidin-1-ium) tetraiodide","","- C20 H22 I4 N8 O4 S2 -","- C20 H22 I4 N8 O4 S2 -","- C20 H22 I4 N8 O4 S2 -","1","0.5","LG3144","Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon","Eight salt forms of sulfadiazine.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","900","907","10.1107/S2053229614018725","","","0.71073","MoKα","","0.0434","0.0317","","","0.0565","0.0622","","","","","","1.042","","","","has coordinates","246129","2020-10-21","18:00:00",""
"2311832","5.8539","0.0001","11.3629","0.0003","21.208","0.0006","90","","90.982","0.002","90","","1410.49","0.06","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2-{[(4-Azaniumylphenyl)sulfonyl]azanidyl}pyrimidin-1-ium tetrafluoroborate monohydrate","","- C10 H13 B F4 N4 O3 S -","- C10 H13 B F4 N4 O3 S -","- C40 H52 B4 F16 N16 O12 S4 -","4","1","LG3144","Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon","Eight salt forms of sulfadiazine.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","900","907","10.1107/S2053229614018725","","","0.71073","MoKα","","0.0479","0.0371","","","0.0831","0.0888","","","","","","1.034","","","","has coordinates","246129","2020-10-21","18:00:00",""
"2311833","5.4705","0.0004","10.1235","0.0007","11.9956","0.0008","86.708","0.006","85.489","0.006","74.394","0.007","637.4","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","2-{[(4-Azaniumylphenyl)sulfonyl]azanidyl}pyrimidin-1-ium nitrate","","- C10 H11 N5 O5 S -","- C10 H11 N5 O5 S -","- C20 H22 N10 O10 S2 -","2","1","LG3144","Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon","Eight salt forms of sulfadiazine.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","900","907","10.1107/S2053229614018725","","","0.71073","MoKα","","0.0591","0.0451","","","0.1032","0.1095","","","","","","1.037","","","","has coordinates","246129","2020-10-21","18:00:00",""
"2311834","5.5269","0.0004","34.979","0.003","8.4395","0.0006","90","","93.102","0.007","90","","1629.2","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(Pyrimidin-2-yl)sulfamoyl]anilinium ethanesulfonate","","- C12 H16 N4 O5 S2 -","- C12 H16 N4 O5 S2 -","- C48 H64 N16 O20 S8 -","4","1","LG3144","Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon","Eight salt forms of sulfadiazine.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","900","907","10.1107/S2053229614018725","","","0.71073","MoKα","","0.1104","0.0546","","","0.0947","0.1123","","","","","","1.007","","","","has coordinates","246129","2020-10-21","18:00:00",""
"2311835","18.5872","0.0005","5.9733","0.0002","18.685","0.0005","90","","104.858","0.003","90","","2005.17","0.11","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(Pyrimidin-2-yl)sulfamoyl]anilinium 4-hydroxybenzenesulfonate dihydrate","","- C16 H20 N4 O8 S2 -","- C16 H20 N4 O8 S2 -","- C64 H80 N16 O32 S8 -","4","1","LG3144","Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon","Eight salt forms of sulfadiazine.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","900","907","10.1107/S2053229614018725","","","0.71073","MoKα","","0.0671","0.048","","","0.1026","0.1132","","","","","","1.027","","","","has coordinates","246129","2020-10-21","18:00:00",""
"2311836","7.5805","0.0004","9.7942","0.0005","13.6175","0.0006","97.712","0.002","96.549","0.002","99.416","0.002","978.77","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","6-(2-Chlorophenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C10 H6 Cl N3 S -","- C10 H6 Cl N3 S -","- C40 H24 Cl4 N12 S4 -","4","2","SK3560","Praveen, Aletti S.; Yathirajan, Hemmige S.; Kaur, Manpreet; Narayana, Badiadka; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Different patterns of supramolecular assembly in constitutionally similar 6-arylimidazo[2,1-b][1,3,4]thiadiazoles.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","920","926","10.1107/S2053229614018762","","","0.71073","MoKα","","0.0378","0.0324","","","0.0887","0.0941","","","","","","1.034","","","","has coordinates","246130","2020-10-21","18:00:00",""
"2311837","7.5567","0.0003","11.4589","0.0005","24.9006","0.0011","90","","90","","90","","2156.18","0.16","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-(2-Chlorophenyl)-2-methylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C11 H8 Cl N3 S -","- C11 H8 Cl N3 S -","- C88 H64 Cl8 N24 S8 -","8","1","SK3560","Praveen, Aletti S.; Yathirajan, Hemmige S.; Kaur, Manpreet; Narayana, Badiadka; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Different patterns of supramolecular assembly in constitutionally similar 6-arylimidazo[2,1-b][1,3,4]thiadiazoles.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","920","926","10.1107/S2053229614018762","","","0.71073","MoKα","","0.0364","0.0315","","","0.0814","0.0859","","","","","","1.056","","","","has coordinates","246130","2020-10-21","18:00:00",""
"2311838","5.5186","0.0002","7.5194","0.0003","12.8406","0.0005","102.027","0.002","91.293","0.002","98.43","0.002","514.74","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","6-(3,4-Dichlorophenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C10 H5 Cl2 N3 S -","- C10 H5 Cl2 N3 S -","- C20 H10 Cl4 N6 S2 -","2","1","SK3560","Praveen, Aletti S.; Yathirajan, Hemmige S.; Kaur, Manpreet; Narayana, Badiadka; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Different patterns of supramolecular assembly in constitutionally similar 6-arylimidazo[2,1-b][1,3,4]thiadiazoles.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","920","926","10.1107/S2053229614018762","","","0.71073","MoKα","","0.0305","0.0271","","","0.0667","0.071","","","","","","1.116","","","","has coordinates","246130","2020-10-21","18:00:00",""
"2311839","8.6766","0.0003","11.7888","0.0004","12.5227","0.0004","103.039","0.002","95.189","0.002","110.365","0.002","1149.69","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","6-(4-Fluoro-3-methoxyphenyl)-2-methylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C12 H10 F N3 O S -","- C12 H10 F N3 O S -","- C48 H40 F4 N12 O4 S4 -","4","2","SK3560","Praveen, Aletti S.; Yathirajan, Hemmige S.; Kaur, Manpreet; Narayana, Badiadka; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Different patterns of supramolecular assembly in constitutionally similar 6-arylimidazo[2,1-b][1,3,4]thiadiazoles.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","920","926","10.1107/S2053229614018762","","","0.71073","MoKα","","0.0447","0.0356","","","0.0965","0.1049","","","","","","1.046","","","","has coordinates","246130","2020-10-21","18:00:00",""
"2311840","7.4999","0.0004","8.8965","0.0005","11.2806","0.0009","83.338","0.006","73.354","0.005","86.406","0.006","715.92","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Ethylsulfanyl-7-(furan-2-yl)-4-(thiophen-2-yl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine","","- C15 H12 N4 O S2 -","- C15 H12 N4 O S2 -","- C30 H24 N8 O2 S4 -","2","1","SK3556","Insuasty, Henry; Insuasty, Braulio; Castro, Edison; Cobo, Justo; Glidewell, Christopher","2-Ethylsulfanyl-7-(furan-2-yl)-4-(thiophen-2-yl)pyrazolo[1,5-a][1,3,5]triazine: π-stacked chains of hydrogen-bonded R2(2)(10) dimers.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","908","911","10.1107/S2053229614018877","","","0.71073","MoKα","","0.111","0.0546","","","0.119","0.1494","","","","","","1.03","","","","has coordinates,has disorder","246131","2020-10-21","18:00:00",""
"2312005","26.7972","0.0003","7.1617","0.0001","14.194","0.0002","90","","90","","90","","2724.02","0.06","100","1","100","1","","","","","","","","2","C m c e","-C 2ac 2","64","Rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","PC5039","Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.","Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ","Acta Crystallographica Section A Foundations and Advances","2014","70","6","679","","10.1107/S2053273314015599","","neutron","","neutron","","","0.046","","","","0.055","","","1.57","","","1.57","","","","has coordinates","246242","2020-10-21","18:00:00",""
"2312006","26.8106","0.0003","7.1602","0.0001","14.2029","0.0001","90","","90","","90","","2726.52","0.05","100","2","100","2","","","","","","","","2","C m c e","-C 2ac 2","64","Rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","PC5039","Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.","Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ","Acta Crystallographica Section A Foundations and Advances","2014","70","6","679","","10.1107/S2053273314015599","","","0.7107","MoKα","","0.041","0.022","","","","0.055","","","","","","1.492","","","","has coordinates","246242","2020-10-21","18:00:00",""
"2312007","26.8106","0.0003","7.1602","0.0001","14.2029","0.0001","90","","90","","90","","2726.52","0.05","100","2","100","2","","","","","","","","2","C m c e","-C 2ac 2","64","Rubrene","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","PC5039","Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.","Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ","Acta Crystallographica Section A Foundations and Advances","2014","70","6","679","","10.1107/S2053273314015599","","","0.7107","MoKα","","0.041","0.022","","","","0.055","","","","","","1.492","","","","has coordinates","246242","2020-10-21","18:00:00",""
"2312008","26.8106","0.0003","7.1602","0.0001","14.2029","0.0001","90","","90","","90","","2726.52","0.05","100","2","100","2","","","","","","","","2","C m c e","-C 2ac 2","64","Rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","PC5039","Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.","Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ","Acta Crystallographica Section A Foundations and Advances","2014","70","6","679","","10.1107/S2053273314015599","","","0.7107","MoKα","","0.066","0.047","","","","0.135","0.096","","","","","3.552","","","","has coordinates","246242","2020-10-21","18:00:00",""
"2312009","26.8106","0.0003","7.1602","0.0001","14.2029","0.0001","90","","90","","90","","2726.52","0.05","100","2","100","2","","","","","","","","2","C m c e","-C 2ac 2","64","Rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","PC5039","Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.","Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ","Acta Crystallographica Section A Foundations and Advances","2014","70","6","679","","10.1107/S2053273314015599","","","0.7107","MoKα","","0.062","0.033","","","","0.068","0.045","","","","","1.31","","","","has coordinates","246242","2020-10-21","18:00:00",""
"2312010","26.8106","0.0003","7.1602","0.0001","14.2029","0.0001","90","","90","","90","","2726.52","0.05","100","1","100","2","","","","","","","","2","C m c e (a-1/4,b-1/4,c)","-C 2ac 2 (x+1/4,y+1/4,z)","64","Rubrene","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","PC5039","Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.","Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ","Acta Crystallographica Section A Foundations and Advances","2014","70","6","679","","10.1107/S2053273314015599","","","0.7107","MoKα","","0.0257","","","","","0.0333","","","","","","2.961","","","","has coordinates","246242","2020-10-21","18:00:00",""
"2312011","33.5759","0.0001","7.6607","0.0001","25.1114","0.0002","90","","114.698","0.0004","90","","5868.16","0.09","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Betaine, Imidazole and Picric acid","cocrystal between picric acid, imidazole and betaine","","- C23 H25 N11 O16 -","- C23 H25 N11 O16 -","- C184 H200 N88 O128 -","8","1","PC5039","Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.","Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ","Acta Crystallographica Section A Foundations and Advances","2014","70","6","679","","10.1107/S2053273314015599","","neutron","","neutron","","","0.051","","","","0.04","","","1.57","","","1.57","","","","has coordinates","246242","2020-10-21","18:00:00",""
"2312012","33.5939","0.0005","7.6658","0.00008","25.1324","0.0003","90","","114.716","0.0017","90","","5879.28","0.15","99.98","0.19","99.98","0.19","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Betaine, Imidazole and Picric acid","cocrystal between picric acid, imidazole and betaine","","- C23 H25 N11 O16 -","- C23 H25 N11 O16 -","- C184 H200 N88 O128 -","8","1","PC5039","Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.","Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ","Acta Crystallographica Section A Foundations and Advances","2014","70","6","679","","10.1107/S2053273314015599","","","0.7107","MoKα","","0.066","0.03","","","","0.072","0.03","","","","","0.874","","","","has coordinates","246242","2020-10-21","18:00:00",""
"2312014","33.5939","0.0005","7.6658","0.00008","25.1324","0.0003","90","","114.716","0.0017","90","","5879.28","0.15","99.98","0.19","99.98","0.19","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Betaine, Imidazole and Picric acid","cocrystal between picric acid, imidazole and betaine","","- C23 H25 N11 O16 -","- C23 H25 N11 O16 -","- C184 H200 N88 O128 -","8","1","PC5039","Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.","Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ","Acta Crystallographica Section A Foundations and Advances","2014","70","6","679","","10.1107/S2053273314015599","","","0.7107","MoKα","","0.085","0.051","","","","0.127","0.073","","","","","1.512","","","","has coordinates","246242","2020-10-21","18:00:00",""
"2312015","33.5939","0.0005","7.6658","0.00008","25.1324","0.0003","90","","114.716","0.0017","90","","5879.28","0.15","99.98","0.19","99.98","0.19","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Betaine, Imidazole and Picric acid","cocrystal between picric acid, imidazole and betaine","","- C23 H25 N11 O16 -","- C23 H25 N11 O16 -","- C184 H200 N88 O128 -","8","1","PC5039","Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B.","Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ","Acta Crystallographica Section A Foundations and Advances","2014","70","6","679","","10.1107/S2053273314015599","","","0.7107","MoKα","","0.082","0.056","","","","0.166","0.072","","","","","0.8","","","","has coordinates","246242","2020-10-21","18:00:00",""
"3000018","14.9135","0.0008","8.5203","0.0005","17.769","0.001","90","","111.617","0.001","90","","2099.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 Mn N16 O14 -","- C28 H44 Cl2 Mn N16 O14 -","- C56 H88 Cl4 Mn2 N32 O28 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez Diéguez; Miguel Quirós; Juan M. Salas; Óscar Huertas; Inmaculada Ramírez Macías; Francisco Olmo; Clotilde Marín; Guillermo Chaves-Lemaur; Ramón Gutiérrez Sánchez; Manuel Sánchez-Moreno","Triazolopyrimidine Compounds Containing First-Row Transition Metals and their Activity against the Neglected Infectious Chagas Disease and Leishmaniasis","European Journal of Medicinal Chemistry","2014","85","","526","534","10.1016/j.ejmech.2014.08.26","","","0.71073","MoKα","","0.0415","0.0374","","","0.1067","0.1097","","","","","","1.076","","","","has coordinates,has Fobs","250894","2020-10-21","18:00:00",""
"3000019","14.8776","0.0011","8.5567","0.0006","17.669","0.0013","90","","111.748","0.001","90","","2089.2","0.3","570","2","570","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 Fe N16 O14 -","- C28 H44 Cl2 Fe N16 O14 -","- C56 H88 Cl4 Fe2 N32 O28 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez Diéguez; Miguel Quirós; Juan M. Salas; Óscar Huertas; Inmaculada Ramírez Macías; Francisco Olmo; Clotilde Marín; Guillermo Chaves-Lemaur; Ramón Gutiérrez Sánchez; Manuel Sánchez-Moreno","Triazolopyrimidine Compounds Containing First-Row Transition Metals and their Activity against the Neglected Infectious Chagas Disease and Leishmaniasis","European Journal of Medicinal Chemistry","2014","85","","526","534","10.1016/j.ejmech.2014.08.26","","","0.71073","MoKα","","0.0417","0.037","","","0.1054","0.109","","","","","","1.092","","","","has coordinates,has Fobs","250894","2020-10-21","18:00:00",""
"3000020","14.8283","0.0008","8.5796","0.0005","17.6281","0.001","90","","111.957","0.001","90","","2080","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 Co N16 O14 -","- C28 H44 Cl2 Co N16 O14 -","- C56 H88 Cl4 Co2 N32 O28 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez Diéguez; Miguel Quirós; Juan M. Salas; Óscar Huertas; Inmaculada Ramírez Macías; Francisco Olmo; Clotilde Marín; Guillermo Chaves-Lemaur; Ramón Gutiérrez Sánchez; Manuel Sánchez-Moreno","Triazolopyrimidine Compounds Containing First-Row Transition Metals and their Activity against the Neglected Infectious Chagas Disease and Leishmaniasis","European Journal of Medicinal Chemistry","2014","85","","526","534","10.1016/j.ejmech.2014.08.26","","","0.71073","MoKα","","0.0393","0.0355","","","0.1021","0.105","","","","","","1.067","","","","has coordinates,has Fobs","250894","2020-10-21","18:00:00",""
"3000021","14.8078","0.0008","8.6073","0.0005","17.5587","0.001","90","","112.121","0.001","90","","2073.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 N16 Ni O14 -","- C28 H44 Cl2 N16 Ni O14 -","- C56 H88 Cl4 N32 Ni2 O28 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez Diéguez; Miguel Quirós; Juan M. Salas; Óscar Huertas; Inmaculada Ramírez Macías; Francisco Olmo; Clotilde Marín; Guillermo Chaves-Lemaur; Ramón Gutiérrez Sánchez; Manuel Sánchez-Moreno","Triazolopyrimidine Compounds Containing First-Row Transition Metals and their Activity against the Neglected Infectious Chagas Disease and Leishmaniasis","European Journal of Medicinal Chemistry","2014","85","","526","534","10.1016/j.ejmech.2014.08.26","","","0.71073","MoKα","","0.0387","0.0354","","","0.1027","0.1056","","","","","","1.029","","","","has coordinates,has Fobs","250894","2020-10-21","18:00:00",""
"3000022","8.6399","0.0009","11.9756","0.0012","19.1916","0.0018","90","","90.352","0.001","90","","1985.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl2 Cu N16 O12 -","- C28 H40 Cl2 Cu N16 O12 -","- C56 H80 Cl4 Cu2 N32 O24 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez Diéguez; Miguel Quirós; Juan M. Salas; Óscar Huertas; Inmaculada Ramírez Macías; Francisco Olmo; Clotilde Marín; Guillermo Chaves-Lemaur; Ramón Gutiérrez Sánchez; Manuel Sánchez-Moreno","Triazolopyrimidine Compounds Containing First-Row Transition Metals and their Activity against the Neglected Infectious Chagas Disease and Leishmaniasis","European Journal of Medicinal Chemistry","2014","85","","526","534","10.1016/j.ejmech.2014.08.26","","","0.71073","MoKα","","0.0773","0.0514","","","0.1257","0.1403","","","","","","0.999","","","","has coordinates,has Fobs","250894","2020-10-21","18:00:00",""
"3000023","14.83","0.002","8.5741","0.0012","17.618","0.002","90","","111.98","0.002","90","","2077.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 N16 O14 Zn -","- C28 H44 Cl2 N16 O14 Zn -","- C56 H88 Cl4 N32 O28 Zn2 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez Diéguez; Miguel Quirós; Juan M. Salas; Óscar Huertas; Inmaculada Ramírez Macías; Francisco Olmo; Clotilde Marín; Guillermo Chaves-Lemaur; Ramón Gutiérrez Sánchez; Manuel Sánchez-Moreno","Triazolopyrimidine Compounds Containing First-Row Transition Metals and their Activity against the Neglected Infectious Chagas Disease and Leishmaniasis","European Journal of Medicinal Chemistry","2014","85","","526","534","10.1016/j.ejmech.2014.08.26","","","0.71073","MoKα","","0.0746","0.0519","","","0.1398","0.1685","","","","","","1.029","","","","has coordinates,has Fobs","250894","2020-10-21","18:00:00",""
"3500016","10.99","0.002","11.41","0.003","13.062","0.003","109.668","0.004","106.72","0.004","104.309","0.004","1365.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Unknown","","","- C36 H25 N O3 -","- C36 H25 N O3 -","- C72 H50 N2 O6 -","2","1","","John P Rappai","Acta","Personal communication to COD","2014","","","","","","","","0.71073","MoKα","","0.0802","0.0447","","","0.0986","0.1099","","","","","","1.024","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3500017","10.99","0.002","11.41","0.003","13.062","0.003","109.668","0.004","106.72","0.004","104.309","0.004","1365.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Unknown","4-(2-(9H-fluoren-9-ylideneamino)phenyl)-2-hydroxy-2,5-diphenylfuran-3(2H)-one","","- C35 H23 N O3 -","- C35 H23 N O3 -","- C70 H46 N2 O6 -","2","1","","John P Rappai","unknown","Personal communication to COD","2014","","","","","","","","0.71073","MoKα","","0.0802","0.0447","","","0.0986","0.1099","","","","","","1.024","","","","has coordinates","176722","2020-10-21","18:00:00",""
"3500018","7.5336","0.0003","3.9605","0.0002","22.3029","0.0008","90","","93.1813","0.0014","90","","664.42","0.05","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Br N -","- C7 H4 Br N -","- C28 H16 Br4 N4 -","4","1","","Thierry Maris","3-bromobenzonitrile","Personal communication to COD","2014","","","","","","","x-ray","1.54178","CuKα","","0.0306","0.0304","","","0.0831","0.0839","","","","","","1.074","","","","has coordinates,has Fobs","176722","2020-10-21","18:00:00",""
"3500021","3.9122","0.0002","13.604","0.0007","7.4016","0.0004","90","","100.411","0.002","90","","387.44","0.04","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H7 N -","- C11 H7 N -","- C22 H14 N2 -","2","1","","Thierry Maris","1-naphtonitrile","Personal communication to COD","2014","","","","","","","","1.54178","CuKα","","0.0494","0.0485","","","0.1229","0.1251","","","","","","1.09","","","","has coordinates,has Fobs","176722","2020-10-21","18:00:00",""
"4001863","28.715","0.004","8.5084","0.0013","25.367","0.004","90","","90","","90","","6197.6","1.6","293.15","","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- Ba8 S15 Sn4 -","- Ba8 S15 Sn4 -","- Ba64 S120 Sn32 -","8","2","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","Ba8Sn4S15: A Strong Second Harmonic Generation Sulfide with Zero-Dimensional Crystal Structure","Chemistry of Materials","2014","26","2","1093","","10.1021/cm403369m","","","0.71073","MoKα","","0.0235","0.0221","","","0.042","0.0425","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001864","14.752","0.003","4.7121","0.001","17.372","0.003","90","","104.402","0.005","90","","1169.6","0.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 N8 Ni -","- C32 H16 N8 Ni -","- C64 H32 N16 Ni2 -","2","0.5","","Takahashi, Yukihiro; Hayakawa, Kei; Takayama, Katsuya; Yokokura, Seiya; Harada, Jun; Hasegawa, Hiroyuki; Inabe, Tamotsu","Charge Conduction Properties at the Contact Interface between (Phthalocyaninato)nickel(II) and Electron Acceptor Single Crystals","Chemistry of Materials","2014","26","2","993","","10.1021/cm403033b","","","0.71075","MoKα","","","0.0504","","","","0.0875","","","","","","0.975","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001865","4.2387","0.0002","4.2387","0.0002","4.2387","0.0002","90","","90","","90","","76.155","0.006","300","2","300","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ga3 Ho Mn0.08 -","- Ga3 Ho Mn0.077 -","- Ga3 Ho Mn0.077 -","1","0.0208333","","Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.","Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)","Chemistry of Materials","2014","26","2","1170","","10.1021/cm4035424","","","0.71073","MoKα","","0.0106","0.0106","","","0.0255","0.0255","","","","","","1.384","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001866","4.2516","0.0001","4.2516","0.0001","4.2516","0.0001","90","","90","","90","","76.852","0.003","293","","293","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ga3 Ho Mn0.152 -","- Ga3 Ho Mn0.152 -","- Ga3 Ho Mn0.152 -","1","0.0208333","","Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.","Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)","Chemistry of Materials","2014","26","2","1170","","10.1021/cm4035424","","x-ray","0.71073","MoKα","","0.0114","0.0114","","","0.0129","0.0129","","","","1.28","1.28","1.28","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001867","4.2149","0.001","4.2149","0.001","4.2149","0.001","90","","90","","90","","74.88","0.03","293","2","293","2","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Er Ga3 -","- Er Ga3 -","- Er Ga3 -","1","0.0208333","","Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.","Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)","Chemistry of Materials","2014","26","2","1170","","10.1021/cm4035424","","","0.71073","MoKα","","0.0134","0.0134","","","0.036","0.036","","","","","","1.412","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001868","4.2303","0.0003","4.2303","0.0003","4.2303","0.0003","90","","90","","90","","75.703","0.009","300","2","300","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Er Ga3 Mn0.03 -","- Er Ga3 Mn0.041 -","- Er Ga3 Mn0.041 -","1","0.0208333","","Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.","Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)","Chemistry of Materials","2014","26","2","1170","","10.1021/cm4035424","","","0.71073","MoKα","","0.0202","0.0202","","","0.0484","0.0484","","","","","","1.187","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001869","4.2351","0.0001","4.2351","0.0001","4.2351","0.0001","90","","90","","90","","75.961","0.003","293","","293","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Er Ga3 Mn0.118 -","- Er Ga3 Mn0.118 -","- Er Ga3 Mn0.118 -","1","0.0208333","","Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.","Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)","Chemistry of Materials","2014","26","2","1170","","10.1021/cm4035424","","x-ray","0.71073","MoKα","","0.0095","0.0095","","","0.0095","0.0095","","","","1.23","1.23","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001870","4.2027","0.001","4.2027","0.001","4.2027","0.001","90","","90","","90","","74.23","0.03","293","2","293","2","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ga3 Tm -","- Ga3 Tm -","- Ga3 Tm -","1","0.0208333","","Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.","Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)","Chemistry of Materials","2014","26","2","1170","","10.1021/cm4035424","","","0.71073","MoKα","","0.0266","0.0266","","","0.0765","0.0765","","","","","","1.291","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001871","4.2085","0.0004","4.2085","0.0004","4.2085","0.0004","90","","90","","90","","74.539","0.012","300","2","300","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ga3 Mn0.05 Tm -","- Ga3 Mn0.049 Tm -","- Ga3 Mn0.049 Tm -","1","0.0208333","","Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.","Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)","Chemistry of Materials","2014","26","2","1170","","10.1021/cm4035424","","","0.71073","MoKα","","0.0087","0.0087","","","0.0152","0.0152","","","","","","1.14","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001872","4.2195","","4.2195","","4.2195","","90","","90","","90","","75.125","","293","","293","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ga3 Mn0.095 Tm -","- Ga2.997 Mn0.095 Tm -","- Ga2.997 Mn0.095 Tm -","1","0.0208333","","Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.","Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)","Chemistry of Materials","2014","26","2","1170","","10.1021/cm4035424","","x-ray","0.71069","MoKα","","0.014","0.014","","","0.0133","0.0133","","","","1.15","1.15","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001873","13.7665","0.0014","13.8428","0.0014","21.58","0.002","75.2984","0.0015","80.5562","0.0015","60.6775","0.0014","3464.3","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H111 Cl2 O16 Si4 Y -","- C49 H111 Cl2 O16 Si4 Y -","- C98 H222 Cl4 O32 Si8 Y2 -","2","1","","Lapadula, Giuseppe; Bourdolle, Adrien; Allouche, Florian; Conley, Matthew P.; del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Guyot, Yannick; Andraud, Chantal; Brasselet, Sophie; Copéret, Christophe; Maury, Olivier; Andersen, Richard A.","Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers","Chemistry of Materials","2014","26","2","1062","","10.1021/cm404140q","","","0.71073","MOKα","","0.0468","0.0358","","","0.0898","0.0947","","","","","","0.986","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001874","19.12","0.002","13.9438","0.0017","23.307","0.003","90","","106.467","0.0017","90","","5958.9","1.2","296","2","296.15","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C48 H93 N2 O12 Si3 Yb -","- C48 H93 N2 O12 Si3 Yb -","- C192 H372 N8 O48 Si12 Yb4 -","4","1","","Lapadula, Giuseppe; Bourdolle, Adrien; Allouche, Florian; Conley, Matthew P.; del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Guyot, Yannick; Andraud, Chantal; Brasselet, Sophie; Copéret, Christophe; Maury, Olivier; Andersen, Richard A.","Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers","Chemistry of Materials","2014","26","2","1062","","10.1021/cm404140q","","","0.71073","MOKα","","0.0779","0.0705","","","0.1515","0.1544","","","","","","1.308","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001875","19.1651","0.0017","13.9306","0.0012","23.309","0.002","90","","106.35","0.0014","90","","5971.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C48 H93 N2 O12 Si3 Y -","- C48 H93 N2 O12 Si3 Y -","- C192 H372 N8 O48 Si12 Y4 -","4","1","","Lapadula, Giuseppe; Bourdolle, Adrien; Allouche, Florian; Conley, Matthew P.; del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Guyot, Yannick; Andraud, Chantal; Brasselet, Sophie; Copéret, Christophe; Maury, Olivier; Andersen, Richard A.","Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers","Chemistry of Materials","2014","26","2","1062","","10.1021/cm404140q","","","0.71073","MoKα","","0.0819","0.0756","","","0.166","0.1683","","","","","","1.274","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001876","13.7858","0.0013","14.6169","0.0013","17.5171","0.0016","97.9411","0.0012","91.888","0.0013","99.4943","0.0013","3442.4","0.5","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C49 H111 Cl2 O16 Si4 Yb -","- C49 H111 Cl2 O16 Si4 Yb -","- C98 H222 Cl4 O32 Si8 Yb2 -","2","2","","Lapadula, Giuseppe; Bourdolle, Adrien; Allouche, Florian; Conley, Matthew P.; del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Guyot, Yannick; Andraud, Chantal; Brasselet, Sophie; Copéret, Christophe; Maury, Olivier; Andersen, Richard A.","Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers","Chemistry of Materials","2014","26","2","1062","","10.1021/cm404140q","","","0.71073","MoKα","","0.027","0.024","","","0.0575","0.0596","","","","","","1.074","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001877","9.469","0.0013","9.469","0.0013","22.233","0.004","90","","90","","120","","1726.4","0.5","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C19 H12 N2 Ni O6 -","- C19.16 H1.5 N2 Ni O6 -","- C38.32 H3 N4 Ni2 O12 -","2","0.0833333","","Jeong, Seok; Kim, Dongwook; Shin, Sunyoung; Moon, Dohyun; Cho, Sung June; Lah, Myoung Soo","Combinational Synthetic Approaches for Isoreticular and Polymorphic Metal‒Organic Frameworks with Tuned Pore Geometries and Surface Properties","Chemistry of Materials","2014","26","4","1711","","10.1021/cm404239s","","","0.89999","synchrotron","","0.1953","0.1715","","","0.4489","0.4735","","","","","","1.844","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4001878","16.571","0.002","16.571","0.002","6.9253","0.0014","90","","90","","120","","1646.9","0.4","173","2","173","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C13 H8 N2 Ni O6 -","- C13 H3 N2 Ni O6 -","- C39 H9 N6 Ni3 O18 -","3","0.25","","Jeong, Seok; Kim, Dongwook; Shin, Sunyoung; Moon, Dohyun; Cho, Sung June; Lah, Myoung Soo","Combinational Synthetic Approaches for Isoreticular and Polymorphic Metal‒Organic Frameworks with Tuned Pore Geometries and Surface Properties","Chemistry of Materials","2014","26","4","1711","","10.1021/cm404239s","","","0.71073","MoKα","","0.1034","0.099","","","0.2459","0.2496","","","","","","1.104","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001879","28.773","0.006","16.615","0.003","16.794","0.003","90","","124.45","0.03","90","","6621","3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H24 N6 Ni3 O18 -","- C39 H21 N6 Ni3 O18 -","- C156 H84 N24 Ni12 O72 -","4","1","","Jeong, Seok; Kim, Dongwook; Shin, Sunyoung; Moon, Dohyun; Cho, Sung June; Lah, Myoung Soo","Combinational Synthetic Approaches for Isoreticular and Polymorphic Metal‒Organic Frameworks with Tuned Pore Geometries and Surface Properties","Chemistry of Materials","2014","26","4","1711","","10.1021/cm404239s","","","0.65","synchrotron","","0.2404","0.1554","","","0.354","0.4137","","","","","","1.007","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4001880","9.5935","0.0014","9.5935","0.0014","13.836","0.003","90","","90","","120","","1102.8","0.3","173","2","173","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C13 H8 N2 Ni O6 -","- C12.96 H1.5 N2 Ni O6 -","- C25.92 H3 N4 Ni2 O12 -","2","0.0833333","","Jeong, Seok; Kim, Dongwook; Shin, Sunyoung; Moon, Dohyun; Cho, Sung June; Lah, Myoung Soo","Combinational Synthetic Approaches for Isoreticular and Polymorphic Metal‒Organic Frameworks with Tuned Pore Geometries and Surface Properties","Chemistry of Materials","2014","26","4","1711","","10.1021/cm404239s","","","0.66999","synchrotron","","0.0989","0.0811","","","0.2371","0.2491","","","","","","1.124","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4001881","5.8797","0.0008","5.8797","0.0008","13.72","0.003","90","","90","","120","","410.77","0.12","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ge2 K Mn3 O9 -","- Ge2 K Mn3 O8.99 -","- Ge4 K2 Mn6 O17.98 -","2","0.0833333","","Williams, Matthew S.; West, J. Palmer; Hwu, Shiou-Jyh","KMn3O2(Ge2O7): AnS= 2 Magnetic Insulator Featuring Pillared Kagome Lattice","Chemistry of Materials","2014","26","4","1502","","10.1021/cm403237u","","","0.71073","MoKα","","0.0269","0.0255","","","0.0589","0.0601","","","","","","1.184","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001882","5.8841","0.0008","5.8841","0.0008","13.795","0.003","90","","90","","120","","413.63","0.12","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- Ge2 K0.35 Mn3 O9 Rb0.65 -","- Ge2 K0.353 Mn3 O8.99 Rb0.647 -","- Ge4 K0.706 Mn6 O17.98 Rb1.294 -","2","0.0833333","","Williams, Matthew S.; West, J. Palmer; Hwu, Shiou-Jyh","KMn3O2(Ge2O7): AnS= 2 Magnetic Insulator Featuring Pillared Kagome Lattice","Chemistry of Materials","2014","26","4","1502","","10.1021/cm403237u","","","0.71073","MoKα","","0.0311","0.0303","","","0.0716","0.0721","","","","","","1.217","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001883","31.8334","0.0016","4.6419","0.0002","12.1497","0.0006","90","","109.391","0.001","90","","1693.49","0.14","89","","89","","","","","","","","","4","C 1 2/m 1","-C 2y","12","Europium Cadmium Antimonide/Arsenide","Eu11 Cd6 Sb7.76 As4.24","","- As4.23 Cd6 Eu11 Sb7.77 -","- As4.214 Cd6 Eu11 Sb7.786 -","- As8.428 Cd12 Eu22 Sb15.572 -","2","0.25","","Kazem, Nasrin; Xie, Weiwei; Ohno, Saneyuki; Zevalkink, Alexandra; Miller, Gordon J.; Snyder, G. Jeffrey; Kauzlarich, Susan M.","High-Temperature Thermoelectric Properties of the Solid‒Solution Zintl Phase Eu11Cd6Sb12‒xAsx(x< 3)","Chemistry of Materials","2014","26","3","1393","","10.1021/cm403345a","","","0.71073","MoKα","","0.0262","0.0213","","","0.0419","0.0428","","","","","","1.179","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001884","32.1261","0.0012","4.6788","0.0002","12.258","0.0005","90","","109.572","0.001","90","","1736.06","0.12","89","2","89","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Europium Cadmium Antimonide/Arsenide","","","- As4.82 Cd6 Eu11 Sb19.18 -","- As2.382 Cd6 Eu11 Sb9.618 -","- As4.764 Cd12 Eu22 Sb19.236 -","2","0.25","","Kazem, Nasrin; Xie, Weiwei; Ohno, Saneyuki; Zevalkink, Alexandra; Miller, Gordon J.; Snyder, G. Jeffrey; Kauzlarich, Susan M.","High-Temperature Thermoelectric Properties of the Solid‒Solution Zintl Phase Eu11Cd6Sb12‒xAsx(x< 3)","Chemistry of Materials","2014","26","3","1393","","10.1021/cm403345a","","","0.71073","MoKα","","0.0252","0.0213","","","0.0399","0.041","","","","","","1.071","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001885","32.3403","0.0011","4.704","0.0002","12.3358","0.0004","90","","109.74","","90","","1766.35","0.11","98","2","98","","","","","","","","","4","C 1 2/m 1","-C 2y","12","Europium Cadmium Antimonide/Arsenide","","","- As1.01 Cd6 Eu11 Sb10.98 -","- As1.018 Cd6 Eu11 Sb10.982 -","- As2.036 Cd12 Eu22 Sb21.964 -","2","0.25","","Kazem, Nasrin; Xie, Weiwei; Ohno, Saneyuki; Zevalkink, Alexandra; Miller, Gordon J.; Snyder, G. Jeffrey; Kauzlarich, Susan M.","High-Temperature Thermoelectric Properties of the Solid‒Solution Zintl Phase Eu11Cd6Sb12‒xAsx(x< 3)","Chemistry of Materials","2014","26","3","1393","","10.1021/cm403345a","","","0.71073","MoKα","","0.0188","0.0176","","","0.0323","0.0326","","","","","","1.285","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001886","18.741","0.007","18.741","0.007","9.414","0.004","90","","90","","90","","3306","2","93","2","93","2","","","","","","","","6","P 4/n :2","-P 4a","85","Cu-SAPO STA-7, dehydrated 250 degree C","Cu-SAPO STA-7, dehydrated 250 degree C","","- C8 Al12 Cu0.32 N5 O48 P12 -","- C8 Al12 Cu0.32 N5 O48 P12 -","- C16 Al24 Cu0.64 N10 O96 P24 -","2","0.25","","Eschenroeder, Eike C. V.; Turrina, Alessandro; Picone, A. Lorena; Cinque, Gianfelice; Frogley, Mark D.; Cox, Paul A.; Howe, Russell F.; Wright, Paul A.","Monitoring the Activation of Copper-Containing Zeotype Catalysts Prepared by Direct Synthesis Using in Situ Synchrotron Infrared Microcrystal Spectroscopy and Complementary Techniques","Chemistry of Materials","2014","26","3","1434","","10.1021/cm403534b","","","0.71073","MoKα","","0.2442","0.1357","","","0.329","0.3441","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001887","18.698","0.006","18.698","0.006","9.395","0.003","90","","90","","90","","3284.6","1.8","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","Cu-SAPO STA-7, dehydrated 150 degree C","Cu-SAPO STA-7, dehydrated 150 degree C","","- C12 Al12 Cu0.38 N5 O49 P12 -","- C8 Al12 Cu0.382 N5 O49 P12 -","- C16 Al24 Cu0.764 N10 O98 P24 -","2","0.25","","Eschenroeder, Eike C. V.; Turrina, Alessandro; Picone, A. Lorena; Cinque, Gianfelice; Frogley, Mark D.; Cox, Paul A.; Howe, Russell F.; Wright, Paul A.","Monitoring the Activation of Copper-Containing Zeotype Catalysts Prepared by Direct Synthesis Using in Situ Synchrotron Infrared Microcrystal Spectroscopy and Complementary Techniques","Chemistry of Materials","2014","26","3","1434","","10.1021/cm403534b","","","0.71073","MoKα","","0.1364","0.1153","","","0.2691","0.2811","","","","","","1.269","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001888","18.71193","0.00004","18.71193","0.00004","9.39907","0.00004","90","","90","","90","","3290.96","0.017","295","","295","","","","","","","","Hydrothermally synthesized","7","P 4/n :2","-P 4a","85","Cu-SAPO STA-7","SAPO SAV framework","","- C18 Al12 Cu N5 O51.15 P8.4 Si3.6 -","- C18 Al12 Cu N5 O51.1467 P8.4 Si3.6 -","- C36 Al24 Cu2 N10 O102.293 P16.8 Si7.2 -","2","0.25","","Eschenroeder, Eike C. V.; Turrina, Alessandro; Picone, A. Lorena; Cinque, Gianfelice; Frogley, Mark D.; Cox, Paul A.; Howe, Russell F.; Wright, Paul A.","Monitoring the Activation of Copper-Containing Zeotype Catalysts Prepared by Direct Synthesis Using in Situ Synchrotron Infrared Microcrystal Spectroscopy and Complementary Techniques","Chemistry of Materials","2014","26","3","1434","","10.1021/cm403534b","powder diffraction","x-ray","0.800178","","","","","","","","","0.12765","","5.27","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001889","5.226","0.001","10.949","0.002","13.701","0.002","77.27","0.03","79.54","0.01","76.57","0.02","736.7","0.2","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 N2 O6 -","- C32 H44 N2 O6 -","- C32 H44 N2 O6 -","1","0.5","","Chen, Guo; Sasabe, Hisahiro; Sasaki, Yusuke; Katagiri, Hiroshi; Wang, Xiao-Feng; Sano, Takeshi; Hong, Ziruo; Yang, Yang; Kido, Junji","A Series of Squaraine Dyes: Effects of Side Chain and the Number of Hydroxyl Groups on Material Properties and Photovoltaic Performance","Chemistry of Materials","2014","26","3","1356","","10.1021/cm4034929","","","0.71075","MoKα","","0.0795","0.0585","","","0.1485","0.1826","","","","","","0.959","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001890","9.148","0.006","19.763","0.011","9.189","0.008","90","","119.657","0.006","90","","1443.7","1.8","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N2 O4 -","- C32 H44 N2 O4 -","- C64 H88 N4 O8 -","2","0.5","","Chen, Guo; Sasabe, Hisahiro; Sasaki, Yusuke; Katagiri, Hiroshi; Wang, Xiao-Feng; Sano, Takeshi; Hong, Ziruo; Yang, Yang; Kido, Junji","A Series of Squaraine Dyes: Effects of Side Chain and the Number of Hydroxyl Groups on Material Properties and Photovoltaic Performance","Chemistry of Materials","2014","26","3","1356","","10.1021/cm4034929","","","0.71075","MoKα","","0.0665","0.0503","","","0.1114","0.1201","","","","","","1.12","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001891","8.9784","0.0002","19.4936","0.0004","8.8957","0.0002","90","","116.234","0.001","90","","1396.57","0.05","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N2 O2 -","- C32 H44 N2 O2 -","- C64 H88 N4 O4 -","2","0.5","","Chen, Guo; Sasabe, Hisahiro; Sasaki, Yusuke; Katagiri, Hiroshi; Wang, Xiao-Feng; Sano, Takeshi; Hong, Ziruo; Yang, Yang; Kido, Junji","A Series of Squaraine Dyes: Effects of Side Chain and the Number of Hydroxyl Groups on Material Properties and Photovoltaic Performance","Chemistry of Materials","2014","26","3","1356","","10.1021/cm4034929","","","1.54187","CuKα","","0.0413","0.0382","","","0.095","0.0978","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001892","34.6853","0.0006","34.6853","0.0006","50.6917","0.0013","90","","90","","90","","60986","2","100","2","100.01","","","","","","","","","5","I 4/m","-I 4","87","","","","- C192 H96 Cu12 N40 O60 -","- C192 H96 Cu12 N40 O60 -","- C768 H384 Cu48 N160 O240 -","4","0.25","","Barin, Gokhan; Krungleviciute, Vaiva; Gomez-Gualdron, Diego A.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.","Isoreticular Series of (3,24)-Connected Metal‒Organic Frameworks: Facile Synthesis and High Methane Uptake Properties","Chemistry of Materials","2014","26","5","1912","","10.1021/cm404155s","","","1.54178","CuKα","","0.1075","0.0735","","","0.217","0.2337","","","","","","0.868","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001906","28.7093","0.0006","3.82563","0.00007","20.6241","0.0004","90","","90","","90","","2265.17","0.08","","","","","","","","","","","","3","A m m a","-A 2a 2a","63","","","","- Fe Nb11 O29 -","- Fe Nb11 O29 -","- Fe4 Nb44 O116 -","4","0.25","","Pinus, Ilya; Catti, Michele; Ruffo, Riccardo; Salamone, Matteo M.; Mari, Claudio M.","Neutron Diffraction and Electrochemical Study of FeNb11O29/Li11FeNb11O29for Lithium Battery Anode Applications","Chemistry of Materials","2014","26","6","2203","","10.1021/cm500442j","powder diffraction","","","","","","","","","","","","","1.44","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001907","28.4036","0.0004","4.08447","0.00008","20.70671","0.00019","90","","90","","90","","2402.26","0.06","","","","","","","","","","","","4","A m m a","-A 2a 2a","63","","","","- Fe Li11 Nb11 O29 -","- Fe0.996 Li11 Nb11.004 O29 -","- Fe3.984 Li44 Nb44.016 O116 -","4","0.25","","Pinus, Ilya; Catti, Michele; Ruffo, Riccardo; Salamone, Matteo M.; Mari, Claudio M.","Neutron Diffraction and Electrochemical Study of FeNb11O29/Li11FeNb11O29for Lithium Battery Anode Applications","Chemistry of Materials","2014","26","6","2203","","10.1021/cm500442j","powder diffraction","neutron","","","","","","","","","","0.09172","","2.23","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001908","5.1645","0.0004","7.8154","0.0006","8.1013","0.0006","62.654","0.002","73.88","0.002","85.266","0.002","278.64","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Yttrium copper tellurite sulfate","","","- Cu O14 S2 Te2 Y2 -","- Cu O14 S2 Te2 Y2 -","- Cu O14 S2 Te2 Y2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0263","0.0201","","","0.0407","0.0424","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001909","5.2397","0.0005","8.008","0.0008","8.301","0.0008","62.268","0.001","74.022","0.001","85.499","0.001","295.88","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Neodymium copper tellurite sulfate","","","- Cu Nd2 O14 S2 Te2 -","- Cu Nd2 O14 S2 Te2 -","- Cu Nd2 O14 S2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.022","0.0219","","","0.0568","0.0569","","","","","","1.271","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001910","5.214","0.0006","7.9348","0.0009","8.2384","0.0009","62.411","0.001","73.982","0.001","85.422","0.001","289.89","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Samarium copper tellurite sulfate","","","- Cu O14 S2 Sm2 Te2 -","- Cu O14 S2 Sm2 Te2 -","- Cu O14 S2 Sm2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","","","0.0196","0.0194","","","0.0504","0.0505","","","","","","1.191","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4001911","5.2216","0.0009","7.9072","0.0014","8.1991","0.0015","62.69","0.002","73.811","0.002","85.453","0.002","288.4","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Europium copper tellurite sulfate","","","- Cu Eu2 O14 S2 Te2 -","- Cu Eu2 O14 S2 Te2 -","- Cu Eu2 O14 S2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0263","0.0231","","","0.0556","0.0574","","","","","","1.065","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001912","5.1886","0.0007","7.8776","0.0011","8.1516","0.0011","62.344","0.001","74.031","0.001","85.319","0.001","283.32","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Gadolinium copper tellurite sulfate","","","- Cu Gd2 O14 S2 Te2 -","- Cu Gd2 O14 S2 Te2 -","- Cu Gd2 O14 S2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0241","0.0238","","","0.0586","0.0588","","","","","","1.21","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001913","5.1939","0.0009","7.8689","0.0013","8.1664","0.0014","62.602","0.002","73.928","0.002","85.34","0.002","284.33","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Terbium copper tellurite sulfate","","","- Cu O14 S2 Tb2 Te2 -","- Cu O14 S2 Tb2 Te2 -","- Cu O14 S2 Tb2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0215","0.0182","","","0.0396","0.0406","","","","","","1.044","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001914","5.1706","0.001","7.8301","0.0015","8.1176","0.0016","62.479","0.002","73.957","0.002","85.171","0.002","279.75","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Dysprosium copper tellurite sulfate","","","- Cu Dy2 O14 S2 Te2 -","- Cu Dy2 O14 S2 Te2 -","- Cu Dy2 O14 S2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0209","0.0207","","","0.0526","0.0527","","","","","","1.162","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001915","5.179","0.004","7.814","0.006","8.108","0.006","62.793","0.006","73.836","0.007","85.241","0.007","279.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Holmium copper tellurite sulfate","","","- Cu Ho2 O14 S2 Te2 -","- Cu Ho2 O14 S2 Te2 -","- Cu Ho2 O14 S2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0206","0.0204","","","0.0517","0.0519","","","","","","1.105","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001916","5.1661","0.0007","7.8092","0.001","8.0902","0.001","62.567","0.001","73.873","0.001","85.134","0.001","277.93","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Erbium copper tellurite sulfate","","","- Cu Er2 O14 S2 Te2 -","- Cu Er2 O14 S2 Te2 -","- Cu Er2 O14 S2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0141","0.014","","","0.0341","0.0342","","","","","","1.135","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001917","5.1529","0.0007","7.7976","0.0011","8.0821","0.0012","62.628","0.001","73.848","0.001","85.059","0.001","276.67","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Thulium copper tellurite sulfate","","","- Cu O14 S2 Te2 Tm2 -","- Cu O14 S2 Te2 Tm2 -","- Cu O14 S2 Te2 Tm2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0147","0.0147","","","0.0368","0.0369","","","","","","1.131","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001918","5.3283","0.0015","8.041","0.002","8.113","0.002","114.57","0.002","106.545","0.002","96.272","0.003","292.52","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ytterbium copper tellurite sulfate","","","- Cu O14 S2 Te2 Yb2 -","- Cu O14 S2 Te2 Yb2 -","- Cu O14 S2 Te2 Yb2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.019","0.0188","","","0.0468","0.0469","","","","","","1.137","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001919","5.3269","0.0007","8.0617","0.001","8.1236","0.001","114.434","0.001","106.47","0.001","96.486","0.001","293.8","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Lutetium copper tellurite sulfate","","","- Cu Lu2 O14 S2 Te2 -","- Cu Lu2 O14 S2 Te2 -","- Cu Lu2 O14 S2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0182","0.0176","","","0.0446","0.0449","","","","","","1.157","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001920","7.269","0.005","6.361","0.004","12.408","0.008","90","","106.556","0.011","90","","549.9","0.6","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Ga4 S7 Sn -","- Ga4 S7 Sn -","- Ga8 S14 Sn2 -","2","1","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","SHG Materials SnGa4Q7(Q = S, Se) Appearing with Large Conversion Efficiencies, High Damage Thresholds, and Wide Transparencies in the Mid-Infrared Region","Chemistry of Materials","2014","26","8","2743","","10.1021/cm5006955","","","0.71073","MoKα","","0.0203","0.0196","","","0.0418","0.0419","","","","","","0.979","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001921","7.577","0.004","6.666","0.003","13.023","0.008","90","","106.68","0.007","90","","630.1","0.6","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Ga4 Se7 Sn -","- Ga4 Se7 Sn -","- Ga8 Se14 Sn2 -","2","1","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","SHG Materials SnGa4Q7(Q = S, Se) Appearing with Large Conversion Efficiencies, High Damage Thresholds, and Wide Transparencies in the Mid-Infrared Region","Chemistry of Materials","2014","26","8","2743","","10.1021/cm5006955","","","0.71073","MoKα","","0.0562","0.0489","","","0.1099","0.1158","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001922","13.271","0.004","13.303","0.004","14.211","0.004","67.296","0.006","87.59","0.006","76.695","0.006","2249.3","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H50 Mn2 N4 O29 Sr2 -","- C20 H50 Mn2 N4 O29 Sr2 -","- C40 H100 Mn4 N8 O58 Sr4 -","2","1","","González-Jiménez, Irma N.; Torres-Pardo, Almudena; Sánchez-Peláez, Ana E.; Gutiérrez, Ángel; García-Hernández, Mar; González-Calbet, José M.; Parras, Marina; Varela, Áurea","Synthesis of 4H-SrMnO3.0Nanoparticles from a Molecular Precursor and Their Topotactic Reduction Pathway Identified at Atomic Scale","Chemistry of Materials","2014","26","7","2256","","10.1021/cm500068y","","","0.71073","MoKα","","0.1459","0.0561","","","0.1169","0.1334","","","","","","0.734","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001923","13.605","0.003","3.8884","0.0008","17.594","0.004","90","","93.47","0.03","90","","929","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ca2.24 Nd7.76 O10 Sb2.97 -","- Ca2.234 Nd7.766 O10 Sb2.964 -","- Ca4.468 Nd15.532 O20 Sb5.928 -","2","0.25","","Forbes, Scott; Yuan, Fang; Saparov, Bayrammurad; Sefat, Athena S.; Kosuda, Kosuke; Kolodiazhnyi, Taras; Mozharivskyj, Yurij","Synthesis, Crystal Structure, and Electronic Properties of the CaRE3SbO4and Ca2RE8Sb3O10phases (RE = Rare-Earth Metal)","Chemistry of Materials","2014","26","7","2289","","10.1021/cm500157y","","","0.71073","MoKα","","0.054","0.0367","","","0.0556","0.059","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001924","13.462","0.003","3.8429","0.0008","17.458","0.004","90","","93.62","0.03","90","","901.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ca2.12 O10 Sb2.99 Sm7.88 -","- Ca2.114 O10 Sb2.988 Sm7.886 -","- Ca4.228 O20 Sb5.976 Sm15.772 -","2","0.25","","Forbes, Scott; Yuan, Fang; Saparov, Bayrammurad; Sefat, Athena S.; Kosuda, Kosuke; Kolodiazhnyi, Taras; Mozharivskyj, Yurij","Synthesis, Crystal Structure, and Electronic Properties of the CaRE3SbO4and Ca2RE8Sb3O10phases (RE = Rare-Earth Metal)","Chemistry of Materials","2014","26","7","2289","","10.1021/cm500157y","","","0.71073","MoKα","","0.074","0.038","","","0.0423","0.0475","","","","","","0.954","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001925","13.651","0.003","3.9229","0.0008","17.628","0.004","90","","93.54","0.03","90","","942.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ca2.04 O10 Pr7.96 Sb2.97 -","- Ca2.034 O10 Pr7.966 Sb2.964 -","- Ca4.068 O20 Pr15.932 Sb5.928 -","2","0.25","","Forbes, Scott; Yuan, Fang; Saparov, Bayrammurad; Sefat, Athena S.; Kosuda, Kosuke; Kolodiazhnyi, Taras; Mozharivskyj, Yurij","Synthesis, Crystal Structure, and Electronic Properties of the CaRE3SbO4and Ca2RE8Sb3O10phases (RE = Rare-Earth Metal)","Chemistry of Materials","2014","26","7","2289","","10.1021/cm500157y","","","0.71073","MoKα","","0.0881","0.0356","","","0.0339","0.0395","","","","","","0.802","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001926","13.307","0.003","3.7791","0.0008","17.271","0.004","90","","93.67","0.03","90","","866.8","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ca1.9 O10 Sb3.02 Tb8.1 -","- Ca1.906 O10 Sb3.016 Tb8.094 -","- Ca3.812 O20 Sb6.032 Tb16.188 -","2","0.25","","Forbes, Scott; Yuan, Fang; Saparov, Bayrammurad; Sefat, Athena S.; Kosuda, Kosuke; Kolodiazhnyi, Taras; Mozharivskyj, Yurij","Synthesis, Crystal Structure, and Electronic Properties of the CaRE3SbO4and Ca2RE8Sb3O10phases (RE = Rare-Earth Metal)","Chemistry of Materials","2014","26","7","2289","","10.1021/cm500157y","","","0.71073","MoKα","","0.068","0.0344","","","0.0379","0.042","","","","","","0.936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001927","13.386","0.003","3.7985","0.0008","17.368","0.004","90","","93.59","0.03","90","","881.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ca2.08 Gd7.92 O10 Sb2.97 -","- Ca2.082 Gd7.918 O10 Sb2.968 -","- Ca4.164 Gd15.836 O20 Sb5.936 -","2","0.25","","Forbes, Scott; Yuan, Fang; Saparov, Bayrammurad; Sefat, Athena S.; Kosuda, Kosuke; Kolodiazhnyi, Taras; Mozharivskyj, Yurij","Synthesis, Crystal Structure, and Electronic Properties of the CaRE3SbO4and Ca2RE8Sb3O10phases (RE = Rare-Earth Metal)","Chemistry of Materials","2014","26","7","2289","","10.1021/cm500157y","","","0.71073","MoKα","","0.0772","0.0404","","","0.0533","0.059","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001928","8.9654","0.0002","8.9654","0.0002","8.9654","0.0002","90","","90","","90","","720.62","0.03","296","2","296","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Co2 Zn11 -","- Co2 Zn11 -","- Co8 Zn44 -","4","0.0833333","","Xie, Weiwei; Miller, Gordon J.","New Co‒Pd‒Zn γ-Brasses with Dilute Ferrimagnetism and Co2Zn11Revisited: Establishing the Synergism between Theory and Experiment","Chemistry of Materials","2014","26","8","2624","","10.1021/cm500078w","","","0.71073","MoKα","","0.0166","0.0165","","","0.0366","0.0366","","","","","","1.221","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001929","8.9552","0.0005","8.9552","0.0005","8.9552","0.0005","90","","90","","90","","718.17","0.07","296","2","296","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Co2.34 Zn10.63 -","- Co2.33 Zn10.642 -","- Co9.32 Zn42.568 -","4","0.0833333","","Xie, Weiwei; Miller, Gordon J.","New Co‒Pd‒Zn γ-Brasses with Dilute Ferrimagnetism and Co2Zn11Revisited: Establishing the Synergism between Theory and Experiment","Chemistry of Materials","2014","26","8","2624","","10.1021/cm500078w","","","0.71073","MoKα","","0.0154","0.0153","","","0.0341","0.0341","","","","","","1.226","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001930","8.911","0.003","8.911","0.003","8.911","0.003","90","","90","","90","","707.6","0.4","296","2","296","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Co2.65 Zn10.29 -","- Co2.66 Zn10.286 -","- Co10.64 Zn41.144 -","4","0.0833333","","Xie, Weiwei; Miller, Gordon J.","New Co‒Pd‒Zn γ-Brasses with Dilute Ferrimagnetism and Co2Zn11Revisited: Establishing the Synergism between Theory and Experiment","Chemistry of Materials","2014","26","8","2624","","10.1021/cm500078w","","","0.71073","MoKα","","0.0153","0.0139","","","0.0291","0.0297","","","","","","1.093","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001931","8.882","0.004","8.882","0.004","8.882","0.004","90","","90","","90","","700.7","0.5","273","2","273","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Co2.85 Zn10.03 -","- Co2.84 Zn10.034 -","- Co11.36 Zn40.136 -","4","0.0833333","","Xie, Weiwei; Miller, Gordon J.","New Co‒Pd‒Zn γ-Brasses with Dilute Ferrimagnetism and Co2Zn11Revisited: Establishing the Synergism between Theory and Experiment","Chemistry of Materials","2014","26","8","2624","","10.1021/cm500078w","","","0.71073","MoKα","","0.0165","0.0162","","","0.0381","0.0381","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001932","9.051","0.0007","9.051","0.0007","9.051","0.0007","90","","90","","90","","741.46","0.1","296","2","296","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Co0.92 Pd1.08 Zn11 -","- Co0.926 Pd1.074 Zn11 -","- Co3.704 Pd4.296 Zn44 -","4","0.0833333","","Xie, Weiwei; Miller, Gordon J.","New Co‒Pd‒Zn γ-Brasses with Dilute Ferrimagnetism and Co2Zn11Revisited: Establishing the Synergism between Theory and Experiment","Chemistry of Materials","2014","26","8","2624","","10.1021/cm500078w","","","0.71073","MoKα","","0.0226","0.0216","","","0.0451","0.0457","","","","","","1.061","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001933","9.078","0.001","9.078","0.001","9.078","0.001","90","","90","","90","","748.12","0.14","293","2","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Co2.5 Pd2.5 Zn8 -","- Co2.51 Pd2.49 Zn8 -","- Co10.04 Pd9.96 Zn32 -","4","0.0833333","","Xie, Weiwei; Miller, Gordon J.","New Co‒Pd‒Zn γ-Brasses with Dilute Ferrimagnetism and Co2Zn11Revisited: Establishing the Synergism between Theory and Experiment","Chemistry of Materials","2014","26","8","2624","","10.1021/cm500078w","","","0.71073","MoKα","","0.0152","0.0152","","","0.0405","0.0405","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001934","9.095377","0.000032","6.049344","0.000018","8.256195","0.000024","90","","103.404","0.00027","90","","441.89","0.002","","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","NdBaInO4","","- Ba In Nd O4 -","- Ba In Nd O4 -","- Ba4 In4 Nd4 O16 -","4","1","","Fujii, Kotaro; Esaki, Yuichi; Omoto, Kazuki; Yashima, Masatomo; Hoshikawa, Akinori; Ishigaki, Toru; Hester, James R.","New Perovskite-Related Structure Family of Oxide-Ion Conducting Materials NdBaInO4","Chemistry of Materials","2014","26","8","2488","","10.1021/cm500776x","powder diffraction","neutron","","neutron","","0.02127","","","","","","","0.04392","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001935","11.4235","0.0016","11.4235","0.0016","13.445","0.003","90","","90","","90","","1754.5","0.5","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Ca Mg3 N4 Si -","- Ca Mg3 N4 Si -","- Ca16 Mg48 N64 Si16 -","16","1","","Schmiechen, Sebastian; Schneider, Hajnalka; Wagatha, Peter; Hecht, Cora; Schmidt, Peter J.; Schnick, Wolfgang","Toward New Phosphors for Application in Illumination-Grade White pc-LEDs: The Nitridomagnesosilicates Ca[Mg3SiN4]:Ce3+, Sr[Mg3SiN4]:Eu2+, and Eu[Mg3SiN4]","Chemistry of Materials","2014","26","8","2712","","10.1021/cm500610v","","","0.71073","MoKα","","0.0494","0.0403","","","0.1063","0.1096","","","","","","1.044","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001936","11.4951","0.0016","11.4951","0.0016","13.512","0.003","90","","90","","90","","1785.4","0.5","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Mg3 N4 Si Sr -","- Mg3 N4 Si Sr -","- Mg48 N64 Si16 Sr16 -","16","1","","Schmiechen, Sebastian; Schneider, Hajnalka; Wagatha, Peter; Hecht, Cora; Schmidt, Peter J.; Schnick, Wolfgang","Toward New Phosphors for Application in Illumination-Grade White pc-LEDs: The Nitridomagnesosilicates Ca[Mg3SiN4]:Ce3+, Sr[Mg3SiN4]:Eu2+, and Eu[Mg3SiN4]","Chemistry of Materials","2014","26","8","2712","","10.1021/cm500610v","","","0.71073","MoKα","","0.0483","0.0362","","","0.1024","0.1113","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001937","11.5105","0.0004","11.5105","0.0004","13.5519","0.0004","90","","90","","90","","1795.51","0.1","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Eu Mg3 N4 Si -","- Eu Mg3 N4 Si -","- Eu16 Mg48 N64 Si16 -","16","1","","Schmiechen, Sebastian; Schneider, Hajnalka; Wagatha, Peter; Hecht, Cora; Schmidt, Peter J.; Schnick, Wolfgang","Toward New Phosphors for Application in Illumination-Grade White pc-LEDs: The Nitridomagnesosilicates Ca[Mg3SiN4]:Ce3+, Sr[Mg3SiN4]:Eu2+, and Eu[Mg3SiN4]","Chemistry of Materials","2014","26","8","2712","","10.1021/cm500610v","","","0.71073","MoKα","","0.0185","0.0163","","","0.0392","0.0403","","","","","","1.013","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001938","17.6594","0.0004","15.9973","0.0004","11.2462","0.0003","90","","90","","90","","3177.08","0.14","133","2","133","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H8 B F15 N3 O3 Re -","- C34 H8 B F15 N3 O3 Re -","- C136 H32 B4 F60 N12 O12 Re4 -","4","0.5","","Chu, Wing-Kin; Ko, Chi-Chiu; Chan, Kin-Cheung; Yiu, Shek-Man; Wong, Fu-Lung; Lee, Chun-Sing; Roy, V. A. L.","A Simple Design for Strongly Emissive Sky-Blue Phosphorescent Neutral Rhenium Complexes: Synthesis, Photophysics, and Electroluminescent Devices","Chemistry of Materials","2014","26","8","2544","","10.1021/cm4038654","","","0.7107","MoKα","","0.0236","0.0197","","","0.0475","0.0494","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001939","17.2988","0.0015","18.119","0.0016","31.676","0.003","90","","90","","90","","9928.4","1.5","150","2","150","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C7 H7 In N3 O9.5 -","- C7 H7 In N3 O9.5 -","- C224 H224 In32 N96 O304 -","32","1","","Zhao, Xiang; Mao, Chengyu; Bu, Xianhui; Feng, Pingyun","Direct Observation of Two Types of Proton Conduction Tunnels Coexisting in a New Porous Indium‒Organic Framework","Chemistry of Materials","2014","26","8","2492","","10.1021/cm500473f","","","0.71073","MoKα","","0.0321","0.0239","","","0.0612","0.0651","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001940","7.5376","0.0007","7.5376","0.0007","7.6002","0.0012","90","","90","","90","","431.81","0.09","293","2","293","2","","","","","","","","4","P 42 m c","P 4c -2","105","","","","- Ca Mn O6 Ti2 -","- Ca Mn O6 Ti2 -","- Ca4 Mn4 O24 Ti8 -","4","0.5","","Aimi, Akihisa; Mori, Daisuke; Hiraki, Ko-ichi; Takahashi, Toshihiro; Shan, Yue Jin; Shirako, Yuichi; Zhou, Jianshi; Inaguma, Yoshiyuki","High-Pressure Synthesis ofA-Site Ordered Double Perovskite CaMnTi2O6and Ferroelectricity Driven by Coupling ofA-Site Ordering and the Second-Order Jahn‒Teller Effect","Chemistry of Materials","2014","26","8","2601","","10.1021/cm500016z","","","0.71073","MoKα","","0.0215","0.0197","","","","0.0703","","","","","","1.279","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001941","4.8116","0.0004","7.3828","0.0007","18.4439","0.0017","88.811","0.007","88.827","0.007","74.371","0.008","630.75","0.1","293.1","0.2","293.1","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H7 Br2 N O3 S -","- C10 H7 Br2 N O3 S -","- C20 H14 Br4 N2 O6 S2 -","2","1","","Warnan, Julien; Cabanetos, Clément; Bude, Romain; El Labban, Abdulrahman; Li, Liang; Beaujuge, Pierre M.","Electron-DeficientN-Alkyloyl Derivatives of Thieno[3,4-c]pyrrole-4,6-dione Yield Efficient Polymer Solar Cells with Open-Circuit Voltages > 1 V","Chemistry of Materials","2014","26","9","2829","","10.1021/cm5002303","","","0.7107","MoKα","","0.089988","0.05587","","","","0.146153","","","","","","1.036","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001942","31.818","0.008","13.992","0.003","19.34","0.005","90","","98.544","0.003","90","","8515","4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C83 H111 Eu2 N13 O21 -","- C58 H30 Eu2 N8 O16 -","- C232 H120 Eu8 N32 O64 -","4","0.5","","Sava Gallis, Dorina F.; Rohwer, Lauren E. S.; Rodriguez, Mark A.; Nenoff, Tina M.","Efficient Photoluminescence via Metal‒Ligand Alteration in a New MOFs Family","Chemistry of Materials","2014","26","9","2943","","10.1021/cm500700z","","","0.71073","MoKα","","0.0874","0.0625","","","0.1601","0.169","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001943","32.092","0.018","34.184","","34.184","0.019","90","","90","","90","","37501","3","193","2","193","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C153 H169 In6 N27 O63 -","- C108 H60 In6 N12 O48 -","- C864 H480 In48 N96 O384 -","8","0.5","","Sava Gallis, Dorina F.; Rohwer, Lauren E. S.; Rodriguez, Mark A.; Nenoff, Tina M.","Efficient Photoluminescence via Metal‒Ligand Alteration in a New MOFs Family","Chemistry of Materials","2014","26","9","2943","","10.1021/cm500700z","","","0.71073","MoKα","","0.129","0.0939","","","0.2569","0.2762","","","","","","1.05","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001944","8.1443","0.0003","8.1171","0.0003","11.7005","0.0005","90","","90","","90","","773.5","0.05","293","2","293","2","","","","","","","","3","P n c 2","P 2 -2bc","30","","","","- Ag I3 O8 -","- Ag I3 O8 -","- Ag4 I12 O32 -","4","1","","Xu, Xiang; Hu, Chun-Li; Li, Bing-Xuan; Yang, Bing-Ping; Mao, Jiang-Gao","α-AgI3O8and β-AgI3O8with Large SHG Responses: Polymerization of IO3Groups into the I3O8Polyiodate Anion","Chemistry of Materials","2014","26","10","3219","","10.1021/cm500898q","","","0.71073","MoKα","","0.0226","0.0206","","","0.0455","0.0469","","","","","","1.028","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001945","8.1283","0.0001","8.1283","0.0001","23.4603","0.0007","90","","90","","90","","1550","0.05","293","2","293","2","","","","","","","","3","I -4","I -4","82","","","","- Ag I3 O8 -","- Ag I3 O8 -","- Ag8 I24 O64 -","8","1","","Xu, Xiang; Hu, Chun-Li; Li, Bing-Xuan; Yang, Bing-Ping; Mao, Jiang-Gao","α-AgI3O8and β-AgI3O8with Large SHG Responses: Polymerization of IO3Groups into the I3O8Polyiodate Anion","Chemistry of Materials","2014","26","10","3219","","10.1021/cm500898q","","","0.71073","MoKα","","0.0206","0.0199","","","0.0392","0.0398","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001956","12.6029","0.001","15.0179","0.0012","20.6246","0.0015","90","","90","","90","","3903.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H34 N4 Sn -","- C16 H34 N4 Sn -","- C128 H272 N32 Sn8 -","8","1","","Kim, Sang Bok; Sinsermsuksakul, Prasert; Hock, Adam S.; Pike, Robert D.; Gordon, Roy G.","Synthesis of N-Heterocyclic Stannylene (Sn(II)) and Germylene (Ge(II)) and a Sn(II) Amidinate and Their Application as Precursors for Atomic Layer Deposition","Chemistry of Materials","2014","26","10","3065","","10.1021/cm403901y","","","0.71073","MoKα","","0.039","0.0266","","","0.0549","0.0598","","","","","","1.001","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001957","23.3846","0.0011","6.4294","0.0003","21.7442","0.001","90","","117.556","0.001","90","","2898.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N2 Sn -","- C12 H26 N2 Sn -","- C96 H208 N16 Sn8 -","8","2","","Kim, Sang Bok; Sinsermsuksakul, Prasert; Hock, Adam S.; Pike, Robert D.; Gordon, Roy G.","Synthesis of N-Heterocyclic Stannylene (Sn(II)) and Germylene (Ge(II)) and a Sn(II) Amidinate and Their Application as Precursors for Atomic Layer Deposition","Chemistry of Materials","2014","26","10","3065","","10.1021/cm403901y","","","0.71073","MoKα","","0.0701","0.0644","","","0.1709","0.1733","","","","","","1.292","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001958","16.3608","0.0006","16.3608","0.0006","16.3608","0.0006","90","","90","","90","","4379.4","0.3","173","2","173","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- B4 Ca53 H23 In13 -","- B2.32 Ca52.668 H24.68 In13 -","- B4.64 Ca105.336 H49.36 In26 -","2","0.0416667","","Blankenship, Trevor V.; Chen, Banghao; Latturner, Susan E.","Ca54In13B4‒xH23+x: A Complex Metal Subhydride Featuring Ionic and Metallic Regions","Chemistry of Materials","2014","26","10","3202","","10.1021/cm5007982","","","0.71073","MoKα","","0.0171","0.0164","","","0.0415","0.0417","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001959","16.3608","0.0006","16.3608","0.0006","16.3608","0.0006","90","","90","","90","","4379.4","0.3","173","2","173","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- B4 Ca53 H23 In13 -","- B1.64 Ca52.68 H25.36 In13 -","- B3.28 Ca105.36 H50.72 In26 -","2","0.0416667","","Blankenship, Trevor V.; Chen, Banghao; Latturner, Susan E.","Ca54In13B4–xH23+x: A Complex Metal Subhydride Featuring Ionic and Metallic Regions","Chemistry of Materials","2014","26","10","3202","","10.1021/cm5007982","","","0.71073","MoKα","","0.0171","0.0165","","","0.0395","0.0397","","","","","","1.142","","","","has coordinates","281946","2023-03-20","09:26:09",""
"4001972","13.581","0.0015","9.9251","0.001","10.0151","0.0008","90","","90","","90","","1350","0.2","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.42 Gd1.33 Mn0.92 -","- Au3.406 Gd1.33333 Mn0.927333 -","- Au40.872 Gd16 Mn11.128 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0488","0.0326","","","0.0663","0.0734","","","","","","0.996","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001973","13.5713","0.0007","9.9291","0.0004","10.0213","0.0005","90","","90","","90","","1350.38","0.11","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.42 Gd1.33 Mn0.91 -","- Au3.42467 Gd1.33333 Mn0.908667 -","- Au41.096 Gd16 Mn10.904 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0573","0.0343","","","0.0692","0.0751","","","","","","0.982","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001974","13.5583","0.0019","9.9263","0.0011","10.0519","0.0013","90","","90","","90","","1352.8","0.3","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.54 Gd1.33 Mn0.79 -","- Au3.542 Gd1.33333 Mn0.791333 -","- Au42.504 Gd16 Mn9.496 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0391","0.0317","","","0.0724","0.0758","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001975","13.5024","0.0009","9.9189","0.0007","10.0646","0.0005","90","","90","","90","","1347.94","0.15","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.67 Gd1.33 Mn0.67 -","- Au3.65867 Gd1.33333 Mn0.674667 -","- Au43.904 Gd16 Mn8.096 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0577","0.0361","","","0.0638","0.0698","","","","","","1.01","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001976","13.4944","0.0019","9.9103","0.0013","9.9644","0.0013","90","","90","","90","","1332.6","0.3","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.42 Mn0.92 Y1.33 -","- Au3.39867 Mn0.934667 Y1.33333 -","- Au40.784 Mn11.216 Y16 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0788","0.0517","","","0.104","0.1169","","","","","","1.02","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001977","13.484","0.003","9.908","0.003","9.971","0.003","90","","90","","90","","1332.1","0.6","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.44 Mn0.89 Y1.33 -","- Au3.444 Mn0.889333 Y1.33333 -","- Au41.328 Mn10.672 Y16 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0853","0.0645","","","0.1351","0.1177","","","","","","1.03","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001978","13.4774","0.0009","9.8922","0.0008","9.9814","0.0007","90","","90","","90","","1330.73","0.17","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.46 Mn0.88 Y1.33 -","- Au3.46267 Mn0.870667 Y1.33333 -","- Au41.552 Mn10.448 Y16 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0702","0.0489","","","0.1151","0.1271","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001979","11.16","0.0016","11.16","0.0016","12.865","0.003","90","","90","","90","","1602.3","0.5","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","Clacium litho nitridoaluminate","Clacium litho nitridoaluminate","","- Al3 Ca Li N4 -","- Al3 Ca Li N4 -","- Al48 Ca16 Li16 N64 -","16","1","","Pust, Philipp; Wochnik, Angela S.; Baumann, Elen; Schmidt, Peter J.; Wiechert, Detlef; Scheu, Christina; Schnick, Wolfgang","Ca[LiAl3N4]:Eu2+—A Narrow-Band Red-Emitting Nitridolithoaluminate","Chemistry of Materials","2014","26","11","3544","","10.1021/cm501162n","","","0.71073","MoKα","","0.0341","0.0303","","","0.0762","0.0787","","","","","","1.072","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001985","14.638","0.002","19.642","0.003","20.303","0.003","90","","90","","90","","5837.5","1.5","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H27 Al N4 O3 -","- C36 H27 Al N4 O3 -","- C288 H216 Al8 N32 O24 -","8","1","","Lin, Na; Qiao, Juan; Duan, Lian; Xue, Jie; Wang, Liduo","Rational Design of Chelated Aluminum Complexes toward Highly Efficient and Thermally Stable Electron-Transporting Materials","Chemistry of Materials","2014","26","12","3693","","10.1021/cm5011604","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001986","10.432","0.002","11.273","0.002","15.005","0.003","109.99","0.03","90.72","0.03","97.22","0.03","1642.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H27 Al N5 O3 -","- C41 H30 Al N5 O3 -","- C82 H60 Al2 N10 O6 -","2","1","","Lin, Na; Qiao, Juan; Duan, Lian; Xue, Jie; Wang, Liduo","Rational Design of Chelated Aluminum Complexes toward Highly Efficient and Thermally Stable Electron-Transporting Materials","Chemistry of Materials","2014","26","12","3693","","10.1021/cm5011604","","","0.71073","MoKα","","0.0952","0.0742","","","0.1937","0.2106","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001987","8.0778","0.0001","8.0778","0.0001","8.0778","0.0001","90","","90","","90","","527.083","0.011","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- F6 Ni3 O6 Sb4 -","- F6 Ni3 O6 Sb4 -","- F12 Ni6 O12 Sb8 -","2","0.0416667","","Hu, Shichao; Johnsson, Mats; Lemmens, Peter; Schmid, Daniel; Menzel, Dirk; Tapp, Joshua; Möller, Angela","Acentric Pseudo-Kagome Structures: The Solid Solution (Co1‒xNix)3Sb4O6F6","Chemistry of Materials","2014","26","12","3631","","10.1021/cm500339z","","","0.71073","MoKα","","0.0103","0.0098","","","0.0246","0.0247","","","","","","1.347","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001988","8.176","0.001","8.176","0.001","8.176","0.001","90","","90","","90","","546.54","0.12","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Co3 F6 O6 Sb4 -","- Co3 F6 O6 Sb4 -","- Co6 F12 O12 Sb8 -","2","0.0416667","","Hu, Shichao; Johnsson, Mats; Lemmens, Peter; Schmid, Daniel; Menzel, Dirk; Tapp, Joshua; Möller, Angela","Acentric Pseudo-Kagome Structures: The Solid Solution (Co1‒xNix)3Sb4O6F6","Chemistry of Materials","2014","26","12","3631","","10.1021/cm500339z","","","0.71073","MoKα","","0.0148","0.0148","","","0.038","0.038","","","","","","1.065","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001989","4.0216","0.0002","4.0216","0.0002","10.1798","0.0005","90","","90","","90","","164.641","0.014","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As2 Co1.78 Pr -","- As2 Co1.782 Pr -","- As4 Co3.564 Pr2 -","2","0.0625","","Thompson, Corey M.; Tan, Xiaoyan; Kovnir, Kirill; Garlea, V. Ovidiu; Gippius, Andrei A.; Yaroslavtsev, Alexander A.; Menushenkov, Alexey P.; Chernikov, Roman V.; Büttgen, Norbert; Krätschmer, Wolfgang; Zubavichus, Yan V.; Shatruk, Michael","Synthesis, Structures, and Magnetic Properties of Rare-Earth Cobalt Arsenides, RCo2As2(R = La, Ce, Pr, Nd)","Chemistry of Materials","2014","26","12","3825","","10.1021/cm501522v","","","0.71073","MoKα","","0.0207","0.0201","","","0.0518","0.052","","","","","","1.585","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001990","4.0494","0.0003","4.0494","0.0003","10.4987","0.0008","90","","90","","90","","172.15","0.02","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- As2 Bi0.03 Co1.91 La0.97 -","- As2 Bi0.032 Co1.916 La0.969 -","- As4 Bi0.064 Co3.832 La1.938 -","2","0.0625","","Thompson, Corey M.; Tan, Xiaoyan; Kovnir, Kirill; Garlea, V. Ovidiu; Gippius, Andrei A.; Yaroslavtsev, Alexander A.; Menushenkov, Alexey P.; Chernikov, Roman V.; Büttgen, Norbert; Krätschmer, Wolfgang; Zubavichus, Yan V.; Shatruk, Michael","Synthesis, Structures, and Magnetic Properties of Rare-Earth Cobalt Arsenides, RCo2As2(R = La, Ce, Pr, Nd)","Chemistry of Materials","2014","26","12","3825","","10.1021/cm501522v","","","0.71073","MoKα","","0.0201","0.0193","","","0.045","0.0456","","","","","","1.229","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001991","4.0309","0.0001","4.0309","0.0001","10.2591","0.0004","90","","90","","90","","166.691","0.009","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- As2 Bi0.05 Ce0.95 Co1.83 -","- As2 Bi0.042 Ce0.959 Co1.828 -","- As4 Bi0.084 Ce1.918 Co3.656 -","2","0.0625","","Thompson, Corey M.; Tan, Xiaoyan; Kovnir, Kirill; Garlea, V. Ovidiu; Gippius, Andrei A.; Yaroslavtsev, Alexander A.; Menushenkov, Alexey P.; Chernikov, Roman V.; Büttgen, Norbert; Krätschmer, Wolfgang; Zubavichus, Yan V.; Shatruk, Michael","Synthesis, Structures, and Magnetic Properties of Rare-Earth Cobalt Arsenides, RCo2As2(R = La, Ce, Pr, Nd)","Chemistry of Materials","2014","26","12","3825","","10.1021/cm501522v","","","0.71073","MoKα","","0.0197","0.0179","","","0.0405","0.041","","","","","","1.181","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001992","21.231","0.004","23.026","0.005","24.026","0.005","90","","94.949","0.004","90","","11702","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C98 H114 Cu3 N30 O34 P6 -","- C98 H90 Cu3 N30 O34 P6 -","- C392 H360 Cu12 N120 O136 P24 -","4","0.5","","Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy","Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties","Chemistry of Materials","2014","26","12","3811","","10.1021/cm5014575","","","0.71073","MoKα","","0.2151","0.093","","","0.2278","0.2868","","","","","","1.031","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001993","10.3","0.006","6.107","0.004","22.774","0.013","90","","93.104","0.012","90","","1430.4","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N4 O P -","- C16 H15 N4 O P -","- C64 H60 N16 O4 P4 -","4","1","","Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy","Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties","Chemistry of Materials","2014","26","12","3811","","10.1021/cm5014575","","","0.71073","MoKα","","0.1058","0.0697","","","0.167","0.188","","","","","","1.099","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001994","20.399","0.0018","20.399","0.0018","24.969","0.002","90","","90","","120","","8998.1","1.3","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C96 H118 Cl5 Cu3 N25 O43 P6 -","- C96 H90 Cl5 Cu3 N25 O42.9998 P6 -","- C288 H270 Cl15 Cu9 N75 O128.999 P18 -","3","0.333333","","Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy","Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties","Chemistry of Materials","2014","26","12","3811","","10.1021/cm5014575","","","0.71073","MoKα","","0.1007","0.0607","","","0.1339","0.1543","","","","","","1.012","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001995","20.8422","0.0011","23.7059","0.0012","38.839","0.002","90","","103.819","0.003","90","","18634.3","1.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C144 H163 Cu4 N44 O47 P9 -","- C144 H135 Cu4 N41 O28 P9 -","- C576 H540 Cu16 N164 O112 P36 -","4","1","","Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy","Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties","Chemistry of Materials","2014","26","12","3811","","10.1021/cm5014575","","","1.54178","CuKα","","0.1994","0.1434","","","0.4063","0.4299","","","","","","1.375","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001996","21.364","0.003","22.855","0.003","33.322","0.005","90","","91.641","0.003","90","","16264","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H148 Cu4 N40 O46 P8 -","- C128 H120 Cu4 N38 O36.5 P8 -","- C512 H480 Cu16 N152 O146 P32 -","4","1","","Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy","Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties","Chemistry of Materials","2014","26","12","3811","","10.1021/cm5014575","","","0.71073","MoKα","","0.258","0.1156","","","0.3109","0.3633","","","","","","0.933","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001997","20.565","0.002","20.565","0.002","50.106","0.004","90","","90","","120","","18352","3","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C65 H78 Cl4 Cu2 N16 O28 P4 -","- C65 H64 Cl4 Cu2 N16 O28 P4 -","- C585 H576 Cl36 Cu18 N144 O252 P36 -","9","1","","Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy","Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties","Chemistry of Materials","2014","26","12","3811","","10.1021/cm5014575","","","0.71073","MoKα","","0.0641","0.0594","","","0.1611","0.1673","","","","","","1.026","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002013","13.7195","0.0001","35.2245","0.0006","22.1362","0.0001","90","","90","","90","","10697.6","0.2","","","295","","","","","","","","","5","F m m 2","F 2 -2","42","SSZ-45","","","- C88 H168 N16 O400 Si200 -","- C88 H168 N16 O400 Si200 -","- C88 H168 N16 O400 Si200 -","1","0.0625","","Smeets, Stef; Xie, Dan; McCusker, Lynne B.; Baerlocher, Christian; Zones, Stacey I.; Thompson, Joshua A.; Lacheen, Howard S.; Huang, Hua-Min","SSZ-45: A High-Silica Zeolite with Small Pore Openings, Large Cavities, and Unusual Adsorption Properties","Chemistry of Materials","2014","26","13","3909","3913","10.1021/cm501176j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4002014","41.604","0.006","41.604","0.006","40.246","0.005","90","","90","","120","","60329","14","193","2","193","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C93 H106 Eu In N6 O22 -","- C63 H35 Eu In O16 -","- C1134 H630 Eu18 In18 O288 -","18","1","","Sava Gallis, Dorina F.; Rohwer, Lauren E. S.; Rodriguez, Mark A.; Nenoff, Tina M.","Correction to Efficient Photoluminescence via Metal‒Ligand Alteration in a New MOFs Family","Chemistry of Materials","2014","26","13","4044","","10.1021/cm5019376","","","0.71073","MoKα","","0.1639","0.1173","","","0.3182","0.3508","","","","","","1.145","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002015","18.917","0.002","5.0175","0.0006","17.6728","0.0019","90","","95.137","0.006","90","","1670.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N2 O2 S2 -","- C42 H42 N2 O2 S2 -","- C84 H84 N4 O4 S4 -","2","0.5","","He, Bo; Pun, Andrew B.; Klivansky, Liana M.; McGough, Alexandra M.; Ye, Yifan; Zhu, Junfa; Guo, Jinghua; Teat, Simon J.; Liu, Yi","Thiophene Fused Azacoronenes: Regioselective Synthesis, Self-Organization, Charge Transport and Its Incorporation in Conjugated Polymers","Chemistry of Materials","2014","26","13","3920","","10.1021/cm5018272","","","0.7749","synchrotron","","0.0673","0.055","","","0.1429","0.1529","","","","","","1.043","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4002021","12.5776","0.0004","19.7185","0.0008","13.8892","0.0005","90","","93.471","0.001","90","","3438.4","0.2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 N14 O7 Tb W -","- C26 H31 N14 O7 Tb W -","- C104 H124 N56 O28 Tb4 W4 -","4","1","","Chorazy, Szymon; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Green to Red Luminescence Switchable by Excitation Light in Cyanido-Bridged TbIII‒WVFerromagnet","Chemistry of Materials","2014","26","14","4072","","10.1021/cm501954e","","","0.71075","MoKα","","0.0829","0.0484","","","0.0864","0.097","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002022","9.5928","0.0002","21.3991","0.0005","5.8889","0.0002","90","","90","","90","","1208.86","0.06","299","2","299","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Al7 Ba4.75 Eu0.25 N25 Si11 -","- Al7.0002 Ba4.75 Eu0.25 N25 Si10.9998 -","- Al14.0004 Ba9.5 Eu0.5 N50 Si21.9996 -","2","0.25","","Hirosaki, Naoto; Takeda, Takashi; Funahashi, Shiro; Xie, Rong-Jun","Discovery of New Nitridosilicate Phosphors for Solid State Lighting by the Single-Particle-Diagnosis Approach","Chemistry of Materials","2014","26","14","4280","","10.1021/cm501866x","","","0.71073","MoKα","","0.0353","0.0244","","","","0.0535","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002023","5.8465","0.0004","26.7255","0.0018","5.8386","0.0004","90","","118.897","0.001","90","","798.7","0.09","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Al3 Ba0.84 Eu0.16 N9 Si4 -","- Al3.0006 Ba0.841 Eu0.159 N9 Si4.0004 -","- Al12.0024 Ba3.364 Eu0.636 N36 Si16.0016 -","4","1","","Hirosaki, Naoto; Takeda, Takashi; Funahashi, Shiro; Xie, Rong-Jun","Discovery of New Nitridosilicate Phosphors for Solid State Lighting by the Single-Particle-Diagnosis Approach","Chemistry of Materials","2014","26","14","4280","","10.1021/cm501866x","","","0.71073","MoKα","","0.035","0.0253","","","","0.0681","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002024","9.20688","0.00009","9.10175","0.00009","13.7119","0.00016","90","","90","","90","","1149.04","0.02","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","orthorhombic lithium cobalt sulfate","orthorhombic lithium cobalt sulfate","","- Co Li2 O8 S2 -","- Co Li2 O8 S2 -","- Co8 Li16 O64 S16 -","8","1","","Lander, Laura; Reynaud, Marine; Rousse, Gwenaëlle; Sougrati, Moulay T.; Laberty-Robert, Christel; Messinger, Robert J.; Deschamps, Michaël; Tarascon, Jean-Marie","Synthesis and Electrochemical Performance of the Orthorhombic Li2Fe(SO4)2Polymorph for Li-Ion Batteries","Chemistry of Materials","2014","26","14","4178","","10.1021/cm5012845","powder diffraction","","1.78901","CoKα","","","","","","","","","1.9868","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002025","9.348","0.003","23.74","0.007","11.388","0.004","90","","104.51","0.006","90","","2446.6","1.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 O -","- C33 H24 O -","- C132 H96 O4 -","4","1","","Ma, Ji; Lin, Tingting; Pan, Xiaoyong; Wang, Weizhi","Graphene-like Molecules Based on Tetraphenylethene Oligomers: Synthesis, Characterization, and Applications","Chemistry of Materials","2014","26","14","4221","4229","10.1021/cm501590w","","","0.71073","MoKα","","0.0886","0.0554","","","0.1268","0.1466","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002026","42.75","0.02","5.584","0.003","24.009","0.013","90","","107.239","0.01","90","","5474","5","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C66 H48 -","- C66 H48 -","- C264 H192 -","4","0.5","","Ma, Ji; Lin, Tingting; Pan, Xiaoyong; Wang, Weizhi","Graphene-like Molecules Based on Tetraphenylethene Oligomers: Synthesis, Characterization, and Applications","Chemistry of Materials","2014","26","14","4221","","10.1021/cm501590w","","","0.71073","MoKα","","0.1546","0.0578","","","0.1121","0.1317","","","","","","1.009","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002027","8.9848","0.0009","10.0585","0.001","13.0237","0.0013","82.866","0.002","75.195","0.002","78.641","0.002","1112.24","0.19","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","1-(4-(1,2-bis(methoxycarbonyl)phen-5-oxy)butyl) -3-methylimidazolium hexa-fluorophosphate","","- C18 H23 F6 N2 O5 P -","- C18 H23 F6 N2 O5 P -","- C36 H46 F12 N4 O10 P2 -","2","1","","Brandel, Clément; Gbabode, Gabin; Cartigny, Yohann; Martin, Claudette; Gouhier, Géraldine; Petit, Samuel; Coquerel, Gérard","Crystal Growth, Structure, and Polymorphic Behavior of an Ionic Liquid: Phthalate Derivative ofN-Butyl,N-methylimidazolium Hexafluorophosphate","Chemistry of Materials","2014","26","14","4151","","10.1021/cm501220x","","x-ray","0.71073","MoKα","","0.0836","0.0645","","","0.1522","0.1649","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4002028","41.199","0.004","41.199","0.004","5.776","0.0005","90","","90","","90","","9803.9","1.6","298","2","298","2","","","","","","","","2","I 41/a :2","-I 4ad","88","","","","- C34 H24 -","- C34 H24 -","- C544 H384 -","16","1","","Zhang, Guo-Feng; Wang, Hongfeng; Aldred, Matthew P.; Chen, Tao; Chen, Ze-Qiang; Meng, Xianggao; Zhu, Ming-Qiang","General Synthetic Approach toward Geminal-Substituted Tetraarylethene Fluorophores with Tunable Emission Properties: X-ray Crystallography, Aggregation-Induced Emission and Piezofluorochromism","Chemistry of Materials","2014","26","15","4433","","10.1021/cm501414b","","","0.71073","MoKα","","0.1109","0.0481","","","0.1062","0.1342","","","","","","1.008","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002029","13.7789","0.0017","9.4646","0.0012","19.552","0.003","90","","109.107","0.002","90","","2409.3","0.6","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 -","- C34 H24 -","- C136 H96 -","4","1","","Zhang, Guo-Feng; Wang, Hongfeng; Aldred, Matthew P.; Chen, Tao; Chen, Ze-Qiang; Meng, Xianggao; Zhu, Ming-Qiang","General Synthetic Approach toward Geminal-Substituted Tetraarylethene Fluorophores with Tunable Emission Properties: X-ray Crystallography, Aggregation-Induced Emission and Piezofluorochromism","Chemistry of Materials","2014","26","15","4433","","10.1021/cm501414b","","","0.71073","MoKα","","0.0745","0.0582","","","0.1536","0.1751","","","","","","1.059","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002030","9.7985","0.0014","11.7195","0.0017","13.649","0.002","87.418","0.002","69.712","0.002","79.112","0.002","1443.3","0.4","298","2","298","2","","","","","","","","2","P -1","-P 1","2","","","","- C42 H28 -","- C42 H28 -","- C84 H56 -","2","1","","Zhang, Guo-Feng; Wang, Hongfeng; Aldred, Matthew P.; Chen, Tao; Chen, Ze-Qiang; Meng, Xianggao; Zhu, Ming-Qiang","General Synthetic Approach toward Geminal-Substituted Tetraarylethene Fluorophores with Tunable Emission Properties: X-ray Crystallography, Aggregation-Induced Emission and Piezofluorochromism","Chemistry of Materials","2014","26","15","4433","","10.1021/cm501414b","","","0.71073","MoKα","","0.0607","0.047","","","0.1496","0.1777","","","","","","1.034","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002031","9.6966","0.0008","11.6563","0.0009","13.4072","0.001","87.669","0.001","70.561","0.001","79.684","0.001","1405.6","0.19","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C42 H28 -","- C42 H28 -","- C84 H56 -","2","1","","Zhang, Guo-Feng; Wang, Hongfeng; Aldred, Matthew P.; Chen, Tao; Chen, Ze-Qiang; Meng, Xianggao; Zhu, Ming-Qiang","General Synthetic Approach toward Geminal-Substituted Tetraarylethene Fluorophores with Tunable Emission Properties: X-ray Crystallography, Aggregation-Induced Emission and Piezofluorochromism","Chemistry of Materials","2014","26","15","4433","","10.1021/cm501414b","","","0.71073","MoKα","","0.0545","0.046","","","0.1324","0.1438","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002032","11.1338","0.0017","11.7377","0.0018","13.64","0.002","99.497","0.002","106.951","0.002","114.788","0.002","1460.9","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42.5 H29 Cl -","- C42.5 H29 Cl -","- C85 H58 Cl2 -","2","1","","Zhang, Guo-Feng; Wang, Hongfeng; Aldred, Matthew P.; Chen, Tao; Chen, Ze-Qiang; Meng, Xianggao; Zhu, Ming-Qiang","General Synthetic Approach toward Geminal-Substituted Tetraarylethene Fluorophores with Tunable Emission Properties: X-ray Crystallography, Aggregation-Induced Emission and Piezofluorochromism","Chemistry of Materials","2014","26","15","4433","","10.1021/cm501414b","","","0.71073","MoKα","","0.0646","0.0596","","","0.1857","0.1906","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4002033","11.171","0.003","11.66","0.003","13.685","0.004","99.793","0.004","107.008","0.003","114.141","0.004","1467.3","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H32 O -","- C43 H32 O -","- C86 H64 O2 -","2","1","","Zhang, Guo-Feng; Wang, Hongfeng; Aldred, Matthew P.; Chen, Tao; Chen, Ze-Qiang; Meng, Xianggao; Zhu, Ming-Qiang","General Synthetic Approach toward Geminal-Substituted Tetraarylethene Fluorophores with Tunable Emission Properties: X-ray Crystallography, Aggregation-Induced Emission and Piezofluorochromism","Chemistry of Materials","2014","26","15","4433","","10.1021/cm501414b","","","0.71073","MoKα","","0.0821","0.0557","","","0.1503","0.1698","","","","","","1.031","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002034","8.56294","0.00008","8.56294","0.00008","22.7703","0.0003","90","","90","","90","","1669.61","0.03","99.99","0.1","99.97","0.11","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- H22 N4 O3 S6 Sn2 -","- H22 N4 O3 S6 Sn2 -","- H88 N16 O12 S24 Sn8 -","4","0.5","","Nørby, Peter; Overgaard, Jacob; Christensen, Per S.; Richter, Bo; Song, Xin; Dong, Mingdong; Han, Anpan; Skibsted, Jørgen; Iversen, Bo B.; Johnsen, Simon","(NH4)4Sn2S6·3H2O: Crystal Structure, Thermal Decomposition, and Precursor for Textured Thin Film","Chemistry of Materials","2014","26","15","4494","","10.1021/cm501681r","","","0.71073","MoKα","","0.0185","0.0162","","","0.0313","0.0322","","","","","","1.077","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002035","8.067","0.008","23.1","0.02","4.34","0.004","90","","90","","90","","808.7","1.3","110","2","110","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C12 F6 I4 -","- C12 F6 I4 -","- C24 F12 I8 -","2","0.5","","Lu, Weigang; Wei, Zhangwen; Yuan, Daqiang; Tian, Jian; Fordham, Stephen; Zhou, Hong-Cai","Rational Design and Synthesis of Porous Polymer Networks: Toward High Surface Area","Chemistry of Materials","2014","26","15","4589","","10.1021/cm501922h","","","0.71073","MoKα","","0.027","0.0261","","","0.0706","0.0712","","","","","","1.161","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002036","16.691","0.011","7.314","0.005","11.161","0.007","90","","111.11","0.006","90","","1271.1","1.4","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Br4 -","- C12 H6 Br4 -","- C48 H24 Br16 -","4","0.5","","Lu, Weigang; Wei, Zhangwen; Yuan, Daqiang; Tian, Jian; Fordham, Stephen; Zhou, Hong-Cai","Rational Design and Synthesis of Porous Polymer Networks: Toward High Surface Area","Chemistry of Materials","2014","26","15","4589","","10.1021/cm501922h","","","0.71073","MoKα","","0.0352","0.0289","","","0.0669","0.0687","","","","","","1.075","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002037","13.334","0.003","20.948","0.004","15.971","0.003","90","","114.402","0.002","90","","4062.5","1.4","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 I4 -","- C18 H18 I4 -","- C144 H144 I32 -","8","2","","Lu, Weigang; Wei, Zhangwen; Yuan, Daqiang; Tian, Jian; Fordham, Stephen; Zhou, Hong-Cai","Rational Design and Synthesis of Porous Polymer Networks: Toward High Surface Area","Chemistry of Materials","2014","26","15","4589","","10.1021/cm501922h","","","0.71073","MoKα","","0.0342","0.0247","","","0.0467","0.0494","","","","","","1.046","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002038","13.044","0.005","6.284","0.003","12.147","0.006","90","","108.793","0.007","90","","942.6","0.7","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H4 F6 -","- C12 H4 F6 -","- C48 H16 F24 -","4","0.5","","Lu, Weigang; Wei, Zhangwen; Yuan, Daqiang; Tian, Jian; Fordham, Stephen; Zhou, Hong-Cai","Rational Design and Synthesis of Porous Polymer Networks: Toward High Surface Area","Chemistry of Materials","2014","26","15","4589","","10.1021/cm501922h","","","0.71073","MoKα","","0.0396","0.0336","","","0.0948","0.0974","","","","","","1.097","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002039","12.997","0.006","13.035","0.006","13.301","0.006","90","","91.472","0.005","90","","2252.7","1.8","110","2","110","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H18 I4 O4 -","- C18 H18 I4 O4 -","- C72 H72 I16 O16 -","4","1","","Lu, Weigang; Wei, Zhangwen; Yuan, Daqiang; Tian, Jian; Fordham, Stephen; Zhou, Hong-Cai","Rational Design and Synthesis of Porous Polymer Networks: Toward High Surface Area","Chemistry of Materials","2014","26","15","4589","","10.1021/cm501922h","","","0.71073","MoKα","","0.0419","0.0399","","","0.0919","0.093","","","","","","1.057","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002040","9.8153","0.0003","10.5285","0.0004","13.4153","0.0005","70.642","0.001","69.211","0.001","65.595","0.001","1152.13","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-{(Z)-2-[(E)-3-(5-Dibutylamino-thiophene-2-yl)-allylidene]- 3-oxo-indan-1-ylidene}-malononitrile","","- C27 H27 N3 O S -","- C27 H27 N3 O S -","- C54 H54 N6 O2 S2 -","2","1","","Zitzler-Kunkel, André; Lenze, Martin R.; Kronenberg, Nils M.; Krause, Ana-Maria; Stolte, Matthias; Meerholz, Klaus; Würthner, Frank","NIR-Absorbing Merocyanine Dyes for BHJ Solar Cells","Chemistry of Materials","2014","26","16","4856","","10.1021/cm502302s","","","1.54178","CuKα","","0.0336","0.0313","","","0.0795","0.0811","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002041","8.4959","0.0004","10.8732","0.0005","14.5478","0.0006","98.914","0.002","103.321","0.002","93.11","0.002","1286.27","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Z)-1-Benzyl-5-[(E)-3-(5-dibutylamino-thiophene-2-yl)-allylidene]- 4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile","","- C29 H33 N3 O2 S -","- C29 H33 N3 O2 S -","- C58 H66 N6 O4 S2 -","2","1","","Zitzler-Kunkel, André; Lenze, Martin R.; Kronenberg, Nils M.; Krause, Ana-Maria; Stolte, Matthias; Meerholz, Klaus; Würthner, Frank","NIR-Absorbing Merocyanine Dyes for BHJ Solar Cells","Chemistry of Materials","2014","26","16","4856","","10.1021/cm502302s","","","1.54178","CuKα","","0.0366","0.0335","","","0.0884","0.0911","","","","","","1.05","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002042","8.1665","0.0012","11.646","0.0016","13.6587","0.0019","107.664","0.005","102.114","0.006","96.172","0.006","1189.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-Benzyl-(5-dibutylamino-thiophene-2-yl-methylene)-4-methyl-2,6-dioxo- 1,2,5,6-tetrahydropyridine-3-carbonitrile","","- C27 H31 N3 O2 S -","- C27 H31 N3 O2 S -","- C54 H62 N6 O4 S2 -","2","1","","Zitzler-Kunkel, André; Lenze, Martin R.; Kronenberg, Nils M.; Krause, Ana-Maria; Stolte, Matthias; Meerholz, Klaus; Würthner, Frank","NIR-Absorbing Merocyanine Dyes for BHJ Solar Cells","Chemistry of Materials","2014","26","16","4856","","10.1021/cm502302s","","","1.54178","CuKα","","0.0408","0.0372","","","0.0994","0.1026","","","","","","1.046","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002043","26.2498","0.0004","26.2498","0.0004","26.2498","0.0004","90","","90","","90","","18087.5","0.5","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+cyclohexane","","","- C27 H25.32 Cu3 O12.66 -","- C27 H7.26 Cu3 O12.624 -","- C432 H116.16 Cu48 O201.984 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.0563","0.0487","","","0.1878","0.1984","","","","","","1.237","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002044","26.3758","0.0013","26.3758","0.0013","26.3758","0.0013","90","","90","","90","","18349.2","1.6","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+THF","","","- C32 H20 Cu3 O15.5 -","- C30 H18 Cu3 O15.5 -","- C480 H288 Cu48 O248 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.0567","0.0475","","","0.1977","0.2041","","","","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002045","26.3164","0.0008","26.3164","0.0008","26.3164","0.0008","90","","90","","90","","18225.5","1","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+1PrOH","","","- C28.5 H34 Cu3 O15.5 -","- C27.178 H6 Cu3 O15.5 -","- C434.848 H96 Cu48 O248 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.0498","0.0384","","","0.1214","0.1347","","","","","","1.106","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4002046","26.3011","0.0005","26.3011","0.0005","26.3011","0.0005","90","","90","","90","","18193.7","0.6","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+toluene","","","- C28.5 H20.16 Cu3 O13.08 -","- C28.5 H8.16 Cu3 O13.068 -","- C456 H130.56 Cu48 O209.088 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.056","0.0448","","","0.1557","0.1684","","","","","","1.175","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002047","26.3238","0.0005","26.3238","0.0005","26.3238","0.0005","90","","90","","90","","18240.9","0.6","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+ethanol","","","- C28 H36 Cu3 O17 -","- C26.48 H6 Cu3 O16.248 -","- C423.68 H96 Cu48 O259.968 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.068","0.0532","","","0.155","0.1754","","","","","","1.099","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002048","26.3273","0.0006","26.3273","0.0006","26.3273","0.0006","90","","90","","90","","18248.2","0.7","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+MeOH","","","- C23 H26 Cu3 O17 -","- C23 H6 Cu3 O16.98 -","- C368 H96 Cu48 O271.68 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.0434","0.0337","","","0.1016","0.1093","","","","","","1.127","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002049","26.2843","0.0017","26.2843","0.0017","26.2843","0.0017","90","","90","","90","","18159","2","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+hexane","","","- C19 H12.28 Cu3 O13.11 -","- C21 H8.28 Cu3 O13.131 -","- C336 H132.48 Cu48 O210.096 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.0645","0.0528","","","0.1854","0.1985","","","","","","1.255","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002050","26.3048","0.0007","26.3048","0.0007","26.3048","0.0007","90","","90","","90","","18201.4","0.8","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+H2O","","","- C18 H7.5 Cu3 O12.75 -","- C18 H7.62 Cu3 O12.807 -","- C288 H121.92 Cu48 O204.912 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.0425","0.0315","","","0.0861","0.0927","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002051","26.3462","0.0005","26.3462","0.0005","26.3462","0.0005","90","","90","","90","","18287.5","0.6","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+MeCN","","","- C24 H18 Cu3 N3 O13.5 -","- C23.98 H6 Cu3 N2.99 O13.467 -","- C383.68 H96 Cu48 N47.84 O215.472 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.0538","0.0407","","","0.1252","0.1369","","","","","","1.17","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4002052","26.2711","0.0004","26.2711","0.0004","26.2711","0.0004","90","","90","","90","","18131.5","0.5","273","2","273","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]","","","- C18 H6 Cu3 O12 -","- C18 H6 Cu3 O12 -","- C288 H96 Cu48 O192 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.0324","0.024","","","0.0612","0.0656","","","","","","1.123","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002053","18.945","0.004","18.945","0.004","27.561","0.01","90","","90","","90","","9892","5","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C6.5 H5.5 Cu0.5 N0 O2.5 -","- C6.5 H6 Cu0.5 O2.5 -","- C208 H192 Cu16 O80 -","32","1","","Li, Liangjun; Bell, Jon G.; Tang, Sifu; Lv, Xiaoxia; Wang, Chao; Xing, Yanlong; Zhao, Xuebo; Thomas, K. Mark","Gas Storage and Diffusion through Nanocages and Windows in Porous Metal‒Organic Framework Cu2(2,3,5,6-tetramethylbenzene-1,4-diisophthalate)(H2O)2","Chemistry of Materials","2014","26","16","4679","","10.1021/cm403697m","","","0.71073","MoKα","","0.1421","0.0678","","","0.1452","0.1552","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002054","16.235","0.003","6.352","0.0013","12.077","0.002","90","","131.1","0.03","90","","938.5","0.5","293","2","293","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","Molybdenum thiochloride","","- Cl6 Mo2 S2 -","- Cl6 Mo2 S2 -","- Cl24 Mo8 S8 -","4","0.5","","Islam, Saiful M.; Subrahmanyam, Kota S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.","One-Dimensional Molybdenum Thiochlorides and Their Use in High Surface Area MoSxChalcogels","Chemistry of Materials","2014","26","17","5151","","10.1021/cm5024579","","x-ray","0.71073","MoKα","","0.0606","0.045","","","0.0875","0.0921","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002055","13.956","0.003","11.141","0.002","13.011","0.003","90","","90","","90","","2023","0.7","293","2","293","2","","","","","","","synthesis as described","3","P n m a","-P 2ac 2n","62","","","","- Cl6 Mo2 S2 -","- Cl6 Mo2 S2 -","- Cl48 Mo16 S16 -","8","1","","Islam, Saiful M.; Subrahmanyam, Kota S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.","One-Dimensional Molybdenum Thiochlorides and Their Use in High Surface Area MoSxChalcogels","Chemistry of Materials","2014","26","17","5151","","10.1021/cm5024579","","x-ray","0.71073","MoKα","","0.0527","0.0252","","","0.0343","0.0379","","","","","","0.826","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002056","16.381","0.003","6.5399","0.0013","12.107","0.002","90","","130.85","0.03","90","","981.1","0.5","293","2","293","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- Cl3 Mo Se -","- Cl3 Mo Se -","- Cl24 Mo8 Se8 -","8","1","","Islam, Saiful M.; Subrahmanyam, Kota S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.","One-Dimensional Molybdenum Thiochlorides and Their Use in High Surface Area MoSxChalcogels","Chemistry of Materials","2014","26","17","5151","","10.1021/cm5024579","","x-ray","0.71073","MoKα","","0.0208","0.0159","","","0.0341","0.0351","","","","","","0.991","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002057","8.5422","0.0003","9.9173","0.0004","16.6816","0.0007","88.534","0.003","77.551","0.003","84.358","0.003","1373.27","0.09","295","1","295","1","","","","","","","","6","P 1","P 1","1","","","","- C50 H44 Co2 Cu N14 O22 -","- C50 H38 Co2 Cu N14 O22 -","- C50 H38 Co2 Cu N14 O22 -","1","1","","Stankiewicz, Jolanta; Tomás, Milagros; Dobrinovitch, Isabel T.; Forcén-Vázquez, Elena; Falvello, Larry R.","Proton Conduction in a Nonporous One Dimensional Coordination Polymer","Chemistry of Materials","2014","26","18","5282","","10.1021/cm502142a","","","0.71073","MoKα","","0.0475","0.0395","","","0.0891","0.0949","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002058","8.0655","0.0011","8.0655","0.0011","3.2857","0.0007","90","","90","","90","","213.74","0.06","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","Calcium nitridomagnesoaluminate","Calcium nitridomagnesoaluminate","","- Al2 Ca Mg2 N4 -","- Al2 Ca Mg2 N4 -","- Al4 Ca2 Mg4 N8 -","2","0.125","","Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang","Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples","Chemistry of Materials","2014","26","21","6113","","10.1021/cm502280p","","","0.71073","MoKα","","0.0323","0.0311","","","0.0849","0.0864","","","","","","1.199","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002059","8.1008","0.0011","8.1008","0.0011","3.3269","0.0007","90","","90","","90","","218.32","0.06","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","Strontium nitridomagnesioaluminate","Strontium nitridomagnesioaluminate","","- Al2 Mg2 N4 Sr -","- Al2 Mg2 N4 Sr -","- Al4 Mg4 N8 Sr2 -","2","0.125","","Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang","Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples","Chemistry of Materials","2014","26","21","6113","","10.1021/cm502280p","","","0.71073","MoKα","","0.0313","0.0309","","","0.0834","0.0838","","","","","","1.165","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002060","8.2602","0.0009","8.2602","0.0009","3.432","0.0002","90","","90","","90","","234.17","0.04","297","2","297","2","","","","","","","","4","I 4/m","-I 4","87","Barium Magnesonitridoaluminate","Barium Magnesonitridoaluminate","","- Al2 Ba Mg2 N4 -","- Al2 Ba Mg2 N4 -","- Al4 Ba2 Mg4 N8 -","2","0.125","","Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang","Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples","Chemistry of Materials","2014","26","21","6113","","10.1021/cm502280p","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.03365","","1.363","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002061","8.1539","0.0012","8.1539","0.0012","3.343","0.0007","90","","90","","90","","222.26","0.07","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Al2 Eu Mg2 N4 -","- Al2 Eu Mg2 N4 -","- Al4 Eu2 Mg4 N8 -","2","0.125","","Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang","Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples","Chemistry of Materials","2014","26","21","6113","","10.1021/cm502280p","","","0.71073","MoKα","","0.0152","0.0152","","","0.0333","0.0333","","","","","","1.105","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002062","8.3654","0.0012","8.3654","0.0012","3.4411","0.0007","90","","90","","90","","240.81","0.07","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Ba Ga2 Mg2 N4 -","- Ba Ga2 Mg2 N4 -","- Ba2 Ga4 Mg4 N8 -","2","0.125","","Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang","Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples","Chemistry of Materials","2014","26","21","6113","","10.1021/cm502280p","","","0.71073","MoKα","","0.0155","0.0146","","","0.0305","0.0309","","","","","","1.101","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002063","12.6509","0.0003","5.6642","0.0002","8.9319","0.0004","90","","98.125","0.004","90","","633.61","0.04","295","","295","","","","","","","","synthesis as described","3","C 1 2 1","C 2y","5","","","","- Cu5 Se7 Sn2 -","- Cu5 Se7 Sn2 -","- Cu10 Se14 Sn4 -","2","0.5","","Fan, Jing; Carrillo-Cabrera, Wilder; Antonyshyn, Iryna; Prots, Yurii; Veremchuk, Igor; Schnelle, Walter; Drathen, Christina; Chen, Lidong; Grin, Yuri","Crystal Structure and Physical Properties of Ternary Phases around the Composition Cu5Sn2Se7with Tetrahedral Coordination of Atoms","Chemistry of Materials","2014","26","18","5244","","10.1021/cm501899q","powder diffraction","","0.430459","synchrotron","","","","","","","","","0.0589","1.04","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002064","5.74738","0.00001","5.74738","0.00001","11.45583","0.00003","90","","90","","90","","378.413","0.0014","873","","873","","","","","","","","high temperature synchrotron diffraction","3","I -4 2 m","I -4 2","121","","","","- Cu5.6 Se8 Sn2.4 -","- Cu5.598 Se8 Sn2.402 -","- Cu5.598 Se8 Sn2.402 -","1","0.0625","","Fan, Jing; Carrillo-Cabrera, Wilder; Antonyshyn, Iryna; Prots, Yurii; Veremchuk, Igor; Schnelle, Walter; Drathen, Christina; Chen, Lidong; Grin, Yuri","Crystal Structure and Physical Properties of Ternary Phases around the Composition Cu5Sn2Se7with Tetrahedral Coordination of Atoms","Chemistry of Materials","2014","26","18","5244","","10.1021/cm501899q","powder diffraction","","0.430459","synchrotron","","","","","","","","","0.0315","1.02","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002065","4.05128","0.00015","4.05128","0.00015","10.3625","0.0006","90","","90","","90","","170.078","0.013","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As2 Co1.72 La -","- As2 Co1.722 La -","- As4 Co3.444 La2 -","2","0.0625","","Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong","Tunable Cobalt Vacancies and Related Properties in LaCoxAs2","Chemistry of Materials","2014","26","21","6221","","10.1021/cm5029639","powder diffraction","","1.5398","neutron","","","","","","","","","9.3461","1.7","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002066","4.0444","0.0003","4.0444","0.0003","10.52","0.0007","90","","90","","90","","172.08","0.02","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As2 Co1.98 La -","- As2 Co1.982 La -","- As4 Co3.964 La2 -","2","0.0625","","Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong","Tunable Cobalt Vacancies and Related Properties in LaCoxAs2","Chemistry of Materials","2014","26","21","6221","","10.1021/cm5029639","powder diffraction","","1.78897","CoKα","","","","","","","","","20.7777","2.72","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002067","4.0449","0.0002","4.0449","0.0002","10.4999","0.0007","90","","90","","90","","171.791","0.017","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As2 Co1.92 La -","- As2 Co1.92 La -","- As4 Co3.84 La2 -","2","0.0625","","Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong","Tunable Cobalt Vacancies and Related Properties in LaCoxAs2","Chemistry of Materials","2014","26","21","6221","","10.1021/cm5029639","powder diffraction","","1.78897","CoKα","","","","","","","","","19.8294","2.05","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002068","4.047","0.0002","4.047","0.0002","10.4703","0.0006","90","","90","","90","","171.485","0.015","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As2 Co1.82 La -","- As2 Co1.824 La -","- As4 Co3.648 La2 -","2","0.0625","","Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong","Tunable Cobalt Vacancies and Related Properties in LaCoxAs2","Chemistry of Materials","2014","26","21","6221","","10.1021/cm5029639","powder diffraction","","1.78897","CoKα","","","","","","","","","16.7285","2.01","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002069","4.052","0.0003","4.052","0.0003","10.3598","0.0008","90","","90","","90","","170.09","0.02","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As2 Co1.7 La -","- As2 Co1.696 La -","- As4 Co3.392 La2 -","2","0.0625","","Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong","Tunable Cobalt Vacancies and Related Properties in LaCoxAs2","Chemistry of Materials","2014","26","21","6221","","10.1021/cm5029639","powder diffraction","","1.78897","CoKα","","","","","","","","","22.261","2.13","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002070","4.0546","0.00015","4.0546","0.00015","10.3037","0.0004","90","","90","","90","","169.391","0.011","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As2 Co1.64 La -","- As2 Co1.638 La -","- As4 Co3.276 La2 -","2","0.0625","","Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong","Tunable Cobalt Vacancies and Related Properties in LaCoxAs2","Chemistry of Materials","2014","26","21","6221","","10.1021/cm5029639","powder diffraction","","1.78897","CoKα","","","","","","","","","14.4779","1.95","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002071","4.0561","0.00014","4.0561","0.00014","10.2644","0.0004","90","","90","","90","","168.869","0.011","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As2 Co1.61 La -","- As2 Co1.612 La -","- As4 Co3.224 La2 -","2","0.0625","","Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong","Tunable Cobalt Vacancies and Related Properties in LaCoxAs2","Chemistry of Materials","2014","26","21","6221","","10.1021/cm5029639","powder diffraction","","1.78897","CoKα","","","","","","","","","14.7385","1.94","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002073","7.1809","0.0001","7.1809","0.0001","7.1809","0.0001","90","","90","","90","","370.285","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002074","7.1879","0.0002","7.1879","0.0002","7.1879","0.0002","90","","90","","90","","371.369","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002075","7.1972","0.0002","7.1972","0.0002","7.1972","0.0002","90","","90","","90","","372.813","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002076","7.2089","0.0002","7.2089","0.0002","7.2089","0.0002","90","","90","","90","","374.634","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002077","7.2201","0.0002","7.2201","0.0002","7.2201","0.0002","90","","90","","90","","376.383","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002078","7.2345","0.0002","7.2345","0.0002","7.2345","0.0002","90","","90","","90","","378.639","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002079","7.25","0.0002","7.25","0.0002","7.25","0.0002","90","","90","","90","","381.078","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002080","7.2644","0.0002","7.2644","0.0002","7.2644","0.0002","90","","90","","90","","383.353","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002081","7.2782","0.0002","7.2782","0.0002","7.2782","0.0002","90","","90","","90","","385.542","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002082","7.2919","0.0002","7.2919","0.0002","7.2919","0.0002","90","","90","","90","","387.723","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002083","5.3038","0.0001","14.7518","0.0002","10.9877","0.0002","90","","90","","90","","859.68","0.03","100","2","100","2","","","","","","","","3","P c m b","-P 2bc 2c","57","","","","- Ca2 Co2 O5 -","- Ca2 Co2 O5 -","- Ca16 Co16 O40 -","8","1","","Zhang, Junjie; Zheng, Hong; Malliakas, Christos D.; Allred, Jared M.; Ren, Yang; Li, Qing’an; Han, Tian-Heng; Mitchell, J.F.","Brownmillerite Ca2Co2O5: Synthesis, Stability, and Re-entrant Single Crystal to Single Crystal Structural Transitions","Chemistry of Materials","2014","26","24","7172","","10.1021/cm503873x","","","0.71073","MoKα","","0.0382","0.0235","","","0.0605","0.0682","","","","","","1.039","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002084","5.2896","0.0001","14.924","0.0002","10.9547","0.0002","90","","90","","90","","864.79","0.03","300","2","300","2","","","","","","","","3","P c m b","-P 2bc 2c","57","","","","- Ca2 Co2 O5 -","- Ca2 Co2 O5 -","- Ca16 Co16 O40 -","8","1","","Zhang, Junjie; Zheng, Hong; Malliakas, Christos D.; Allred, Jared M.; Ren, Yang; Li, Qing’an; Han, Tian-Heng; Mitchell, J.F.","Brownmillerite Ca2Co2O5: Synthesis, Stability, and Re-entrant Single Crystal to Single Crystal Structural Transitions","Chemistry of Materials","2014","26","24","7172","","10.1021/cm503873x","","","0.71073","MoKα","","0.0374","0.0221","","","0.062","0.0703","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002085","5.3028","0.0001","14.7838","0.0003","10.981","0.0002","90","","90.173","0.001","90","","860.86","0.03","200","2","200","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ca2 Co2 O5 -","- Ca2 Co2 O5 -","- Ca16 Co16 O40 -","8","2","","Zhang, Junjie; Zheng, Hong; Malliakas, Christos D.; Allred, Jared M.; Ren, Yang; Li, Qing’an; Han, Tian-Heng; Mitchell, J.F.","Brownmillerite Ca2Co2O5: Synthesis, Stability, and Re-entrant Single Crystal to Single Crystal Structural Transitions","Chemistry of Materials","2014","26","24","7172","","10.1021/cm503873x","","","0.71073","MoKα","","0.0528","0.0265","","","0.0655","0.076","","","","","","0.984","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002086","5.2944","0.0001","14.8022","0.0003","10.9667","0.0002","90.078","0.001","90","","90","","859.45","0.03","240","2","240","2","","","","","","","","3","P 2/c 1 1","-P 2xc","13","","","","- Ca2 Co2 O5 -","- Ca2 Co2 O5 -","- Ca16 Co16 O40 -","8","2","","Zhang, Junjie; Zheng, Hong; Malliakas, Christos D.; Allred, Jared M.; Ren, Yang; Li, Qing’an; Han, Tian-Heng; Mitchell, J.F.","Brownmillerite Ca2Co2O5: Synthesis, Stability, and Re-entrant Single Crystal to Single Crystal Structural Transitions","Chemistry of Materials","2014","26","24","7172","","10.1021/cm503873x","","","0.71073","MoKα","","0.0521","0.0299","","","0.0779","0.0871","","","","","","1.05","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002087","7.54873","0.00004","11.43897","0.00005","11.468","0.00006","90","","109.318","0.0003","90","","934.506","0.008","300","","300","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","a-Gd2 Mo3 O12","","","- Gd2 Mo3 O12 -","- Gd2 Mo3 O12 -","- Gd8 Mo12 O48 -","4","0.5","","Morozov, Vladimir A.; Raskina, Maria V.; Lazoryak, Bogdan I.; Meert, Katrien W.; Korthout, Katleen; Smet, Philippe F.; Poelman, Dirk; Gauquelin, Nicolas; Verbeeck, Johan; Abakumov, Artem M.; Hadermann, Joke","Crystal Structure and Luminescent Properties of R2‒xEux(MoO4)3(R = Gd, Sm) Red Phosphors","Chemistry of Materials","2014","26","24","7124","","10.1021/cm503720s","powder diffraction","x-ray","0.39996","SynchrotronX-ray","","0.0267","0.0267","","0.0348","0.0347","","","","2.34","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002088","10.41525","0.00001","10.44871","0.00001","10.73114","0.00001","90","","90","","90","","1167.83","0.0019","300","","300","","","","","","","","","3","P b a 2","P 2 -2ab","32","b'-Eu2 Mo3 O12","","","- Eu2 Mo3 O12 -","- Eu2 Mo3 O12 -","- Eu8 Mo12 O48 -","4","1","","Morozov, Vladimir A.; Raskina, Maria V.; Lazoryak, Bogdan I.; Meert, Katrien W.; Korthout, Katleen; Smet, Philippe F.; Poelman, Dirk; Gauquelin, Nicolas; Verbeeck, Johan; Abakumov, Artem M.; Hadermann, Joke","Crystal Structure and Luminescent Properties of R2‒xEux(MoO4)3(R = Gd, Sm) Red Phosphors","Chemistry of Materials","2014","26","24","7124","","10.1021/cm503720s","powder diffraction","x-ray","0.39996","SynchrotronX-ray","","0.0343","0.032","","0.0357","0.035","","","","1.55","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002089","6.5675","0.00017","16.4026","0.0005","13.1643","0.0007","90","","90","","90","","1418.11","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.18476","","1.74","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002090","6.56849","0.00015","16.3904","0.0005","13.2097","0.0006","90","","90","","90","","1422.16","0.08","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.26383","","1.77","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002091","6.56198","0.00018","16.4171","0.0006","13.1717","0.0007","90","","90","","90.3983","0.0023","1418.94","0.1","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.16881","","1.73","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002092","6.56879","0.00017","16.3828","0.0005","13.1723","0.0007","90","","90","","90","","1417.54","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.18163","","1.64","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002093","6.56802","0.00017","16.3948","0.0005","13.1677","0.0007","90","","90","","90","","1417.92","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23045","","1.66","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002094","6.56804","0.00017","16.3885","0.0005","13.1682","0.0007","90","","90","","90","","1417.43","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.17949","","1.62","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002095","6.568","0.00016","16.4018","0.0005","13.183","0.0006","90","","90","","90","","1420.17","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.2547","","1.8","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002096","6.56782","0.00015","16.4055","0.0005","13.1687","0.0006","90","","90","","90","","1418.91","0.08","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.19119","","1.73","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002097","6.55814","0.00017","16.425","0.0006","13.1592","0.0006","90","","90","","90.5028","0.0023","1417.42","0.09","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.24379","","1.72","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002098","6.56766","0.00016","16.4042","0.0005","13.1657","0.0007","90","","90","","90","","1418.44","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.18535","","1.64","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002099","6.56772","0.00016","16.4037","0.0005","13.174","0.0006","90","","90","","90","","1419.3","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.20163","","1.68","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002100","6.56768","0.00017","16.3984","0.0005","13.164","0.0007","90","","90","","90","","1417.76","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.18711","","1.72","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002101","6.56812","0.00016","16.3928","0.0005","13.1995","0.0006","90","","90","","90","","1421.19","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.26175","","1.75","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002102","6.56677","0.00019","16.3971","0.0007","13.2021","0.0008","90","","90","","90.139","0.005","1421.54","0.11","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.12471","","1.78","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002103","6.56806","0.00017","16.3927","0.0005","13.1667","0.0007","90","","90","","90","","1417.64","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.25896","","1.66","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002104","6.56852","0.00015","16.4032","0.0005","13.1796","0.0006","90","","90","","90","","1420.03","0.08","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.2115","","1.72","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002105","6.62982","0.00006","16.76377","0.00017","12.78585","0.00023","90","","90","","90","","1421.03","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.15748","","2.03","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002106","6.62905","0.00006","16.73997","0.00017","12.81723","0.00022","90","","90","","90","","1422.33","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.21085","","2.06","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002107","6.62869","0.00006","16.72237","0.00018","12.84063","0.00023","90","","90","","90","","1423.35","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.22703","","2.16","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002108","6.63046","0.00006","16.7759","0.00017","12.77032","0.00023","90","","90","","90","","1420.47","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.20307","","2.02","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002109","6.63028","0.00006","16.79731","0.00017","12.74687","0.00024","90","","90","","90","","1419.63","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23236","","2.02","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002110","6.62857","0.00006","16.71675","0.00018","12.84727","0.00023","90","","90","","90","","1423.58","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23182","","2.14","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002111","6.6289","0.00006","16.73384","0.00017","12.82536","0.00022","90","","90","","90","","1422.68","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.19799","","2.07","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002112","6.62854","0.00006","16.71205","0.00018","12.85296","0.00023","90","","90","","90","","1423.81","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23802","","2.18","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002113","6.62913","0.00006","16.74572","0.00017","12.80987","0.00023","90","","90","","90","","1422.02","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.21891","","2.06","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002114","6.62927","0.00006","16.75151","0.00018","12.80193","0.00023","90","","90","","90","","1421.66","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23894","","2.04","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002115","6.63021","0.00006","16.77003","0.00017","12.77785","0.00023","90","","90","","90","","1420.75","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.1866","","2.05","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002116","6.62947","0.00006","16.75793","0.00017","12.79359","0.00023","90","","90","","90","","1421.32","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23905","","2.03","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002117","6.6288","0.00006","16.72761","0.00018","12.83361","0.00022","90","","90","","90","","1423.04","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23692","","2.12","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002118","6.63046","0.00006","16.78318","0.00017","12.76181","0.00024","90","","90","","90","","1420.14","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.2366","","2.05","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002119","6.63033","0.00006","16.79018","0.00017","12.75375","0.00024","90","","90","","90","","1419.8","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.22006","","2.01","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002120","6.56474","0.00013","16.403","0.0004","13.1762","0.0005","90","","90","","90","","1418.83","0.07","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.29471","","2.16","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002121","6.55591","0.00013","16.4362","0.0004","13.1423","0.0004","90","","90","","90.4875","0.0015","1416.09","0.06","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.26754","","2.62","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002122","6.55388","0.00012","16.439","0.0004","13.1379","0.0004","90","","90","","90.5441","0.0014","1415.4","0.06","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.24821","","2.53","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002123","6.56509","0.00013","16.3991","0.0004","13.1951","0.0005","90","","90","","90","","1420.61","0.07","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.29718","","2.33","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002124","6.55253","0.00014","16.4362","0.0004","13.1417","0.0005","90","","90","","90.5819","0.0016","1415.27","0.07","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.25215","","3.32","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002125","6.5622","0.00015","16.4151","0.0005","13.1768","0.0006","90","","90","","90.2748","0.0018","1419.38","0.08","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.32016","","2.32","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002126","6.55277","0.00013","16.4391","0.0004","13.1381","0.0004","90","","90","","90.5749","0.0015","1415.19","0.06","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.23244","","2.75","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002127","6.56394","0.00013","16.4021","0.0004","13.183","0.0005","90","","90","","90","","1419.31","0.07","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.30578","","2.23","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002170","6.2359","0.0002","6.2359","0.0002","32.2139","0.0005","90","","90","","120","","1084.86","0.05","298","","298","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Cu3.2 O30 Ta11 -","- Cu3.192 O30 Ta11 -","- Cu6.384 O60 Ta22 -","2","0.166667","","Sullivan, Ian; Sahoo, Prangya P.; Fuoco, Lindsay; Hewitt, Andrew S.; Stuart, Sean; Dougherty, Daniel; Maggard, Paul A.","Cu-Deficiency in thep-Type Semiconductor Cu5‒xTa11O30: Impact on Its Crystalline Structure, Surfaces, and Photoelectrochemical Properties","Chemistry of Materials","2014","26","23","6711","","10.1021/cm502891t","powder diffraction","","1.54187","CuKα","","0.0396","0.0391","","","0.0256","0.0256","","","","","","1.88","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002452","4.79674","0.00049","5.47004","0.0005","14.2965","0.0021","89.867","0.014","89.885","0.016","90","0.012","375.11","0.08","300","","300","","","","","","","","","5","P 1","P 1","1","","","","- Ba3 N8 O8 Si8 Sr -","- Ba3 N8 O8 Si8 Sr -","- Ba3 N8 O8 Si8 Sr -","1","1","","Guogang Li; Chun Che Lin; Wei-Ting Chen; Maxim S. Molokeev; Victor V. Atuchin; Chang-Yang Chiang; Wuzong Zhou; Chin-Wei Wang; Wen-Hsien Li; Hwo-Shuenn Sheu; Ting-Shan Chan; ChongGeng Ma; Ru-Shi Liu","Photoluminescence Tuning via Cation Substitution in Oxonitridosilicate Phosphors: DFT Calculations, Different Site Occupations, and Luminescence Mechanisms","Chemistry of Materials","2014","26","9","2991","","10.1021/cm500844v","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","","","","1.304","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4002590","3.15603","0.00009","2.85523","0.0001","4.7799","0.0002","90","","91.4521","","90","","43.059","0.003","293","","293","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- Mn Na O2 -","- Mn Na O -","- Mn2 Na2 O2 -","2","0.25","","Abakumov, Artem M.; Tsirlin, Alexander A.; Bakaimi, Ioanna; Van Tendeloo, Gustaaf; Lappas, Alexandros","Multiple Twinning As a Structure Directing Mechanism in Layered Rock-Salt-Type Oxides: NaMnO2Polymorphism, Redox Potentials, and Magnetism","Chemistry of Materials","2014","","","140509152558002","","10.1021/cm5011696","powder diffraction","neutron","2.0787","","","0.0228","0.0214","","0.0222","0.0221","","","","1.38","","","","","","","has coordinates","288070","2023-12-06","12:50:31",""
"4002591","11.6767","0.0001","11.6767","0.0001","7.5247","0.0001","90","","90","","90","","1025.96","0.018","294","","294","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0428","0.0311","","","0.0585","0.061","","","","2.03","2.03","1.79","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002592","11.68","0.0001","11.68","0.0001","7.5292","0.0001","90","","90","","90","","1027.15","0.018","322","","322","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0434","0.0315","","","0.0627","0.066","","","","2.08","2.08","1.85","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002593","11.6832","0.0001","11.6832","0.0001","7.5352","0.0001","90","","90","","90","","1028.53","0.018","353","","353","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0488","0.0344","","","0.0627","0.066","","","","2.01","2.01","1.76","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002594","11.6866","0.0001","11.6866","0.0001","7.5439","0.0001","90","","90","","90","","1030.32","0.018","384","","384","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0487","0.0329","","","0.0628","0.067","","","","1.88","1.88","1.65","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002595","11.6891","0.0001","11.6891","0.0001","7.5493","0.0001","90","","90","","90","","1031.5","0.019","394","","394","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0553","0.0354","","","0.0732","0.0797","","","","1.69","1.69","1.46","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002596","11.6858","0.0001","11.6858","0.0001","7.54","0.0001","90","","90","","90","","1029.65","0.018","368","","368","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0564","0.0361","","","0.0737","0.0828","","","","1.5","1.5","1.35","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002597","11.684","0.0001","11.684","0.0001","7.5367","0.0001","90","","90","","90","","1028.88","0.018","358","","358","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0492","0.0335","","","0.0628","0.0665","","","","1.85","1.85","1.59","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002598","11.6803","0.0001","11.6803","0.0001","7.5302","0.0001","90","","90","","90","","1027.34","0.018","327","","327","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0519","0.0355","","","0.0637","0.0676","","","","1.94","1.94","1.68","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002599","11.6782","0.0001","11.6782","0.0001","7.5269","0.0001","90","","90","","90","","1026.52","0.018","294","","294","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0497","0.0324","","","0.0468","0.0496","","","","1.82","1.82","1.61","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002600","3.8764","0.0005","7.8337","0.0008","7.5594","0.0008","90","","90","","90","","229.55","0.04","404","","404","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.0437","0.0388","","","0.0479","0.0486","","","","2.56","2.56","2.34","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002601","3.8741","0.0004","7.8391","0.0007","7.5618","0.0007","90","","90","","90","","229.65","0.04","414","","414","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.0395","0.034","","","0.0415","0.0421","","","","2.49","2.49","2.28","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002602","3.8767","0.0004","7.8392","0.0007","7.5627","0.0008","90","","90","","90","","229.83","0.04","425","","425","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.0383","0.0341","","","0.0424","0.043","","","","2.25","2.25","2.08","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002603","3.8762","0.0004","7.8446","0.0007","7.5654","0.0008","90","","90","","90","","230.04","0.04","435","","435","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.0397","0.0357","","","0.0452","0.0458","","","","2.06","2.06","1.91","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002604","3.8749","0.0002","7.8567","0.0004","7.5726","0.0004","90","","90","","90","","230.54","0.02","456","","456","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.0414","0.0363","","","0.0434","0.044","","","","2.26","2.26","2.1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002605","3.8739","0.0002","7.841","0.0004","7.5641","0.0004","90","","90","","90","","229.76","0.02","420","","420","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.039","0.0343","","","0.0422","0.0427","","","","2.43","2.43","2.23","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002606","3.8741","0.0002","7.838","0.0004","7.5621","0.0004","90","","90","","90","","229.62","0.02","409","","409","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.0448","0.0407","","","0.0501","0.0506","","","","3.01","3.01","2.77","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002607","3.8734","0.0005","7.8344","0.0008","7.5592","0.001","90","","90","","90","","229.39","0.05","399","","399","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.0496","0.0442","","","0.0543","0.055","","","","2.34","2.34","2.12","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002608","3.8768","0.0002","7.8254","0.0004","7.5581","0.0004","90","","90","","90","","229.29","0.02","389","","389","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.0462","0.0417","","","0.0491","0.0494","","","","2.91","2.91","2.65","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002609","3.9297","0.0004","3.9297","0.0004","7.6112","0.0016","90","","90","","90","","117.54","0.03","787","","787","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0244","0.0227","","","0.0246","0.0255","","","","1.69","1.69","1.63","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002610","3.9104","0.0004","3.9104","0.0004","7.6039","0.0016","90","","90","","90","","116.27","0.03","663","","663","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0227","0.0212","","","0.0257","0.0261","","","","1.64","1.64","1.55","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002611","3.9018","0.0004","3.9018","0.0004","7.5603","0.0016","90","","90","","90","","115.1","0.03","445","","445","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0254","0.0247","","","0.0284","0.0286","","","","1.74","1.74","1.66","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002612","3.9007","0.0004","3.9007","0.0004","7.5558","0.0016","90","","90","","90","","114.96","0.03","425","","425","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0219","0.021","","","0.0244","0.0247","","","","1.73","1.73","1.64","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002613","3.8984","0.0004","3.8984","0.0004","7.5532","0.0016","90","","90","","90","","114.79","0.03","404","","404","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.024","0.0229","","","0.0267","0.0272","","","","1.92","1.92","1.82","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002614","3.9019","0.0004","3.9019","0.0004","7.5434","0.0016","90","","90","","90","","114.85","0.03","384","","384","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0245","0.0229","","","0.0276","0.0284","","","","1.96","1.96","1.91","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002615","3.9094","0.0004","3.9094","0.0004","7.5127","0.0016","90","","90","","90","","114.82","0.03","294","","294","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0244","0.0229","","","0.0251","0.0253","","","","1.79","1.79","1.68","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002616","3.893","0.0001","3.893","0.0001","7.5243","0.0001","90","","90","","90","","114.034","0.004","294","","294","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.063","0.0443","","","0.0567","0.06","","","","2.47","2.47","2.16","","","","has coordinates","288070","2023-12-06","12:50:33",""
"4002617","3.894","0.0001","3.894","0.0001","7.5288","0.0001","90","","90","","90","","114.161","0.004","322","","322","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0632","0.0447","","","0.0578","0.0608","","","","2.5","2.5","2.16","","","","has coordinates","288070","2023-12-06","12:50:34",""
"4002618","3.895","0.0001","3.895","0.0001","7.5349","0.0001","90","","90","","90","","114.312","0.004","353","","353","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0656","0.0448","","","0.0566","0.0596","","","","2.38","2.38","2.04","","","","has coordinates","288070","2023-12-06","12:50:34",""
"4002619","3.8961","0.0001","3.8961","0.0001","7.5437","0.0001","90","","90","","90","","114.51","0.004","384","","384","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0675","0.0431","","","0.0549","0.0589","","","","2.23","2.23","1.92","","","","has coordinates","288070","2023-12-06","12:50:34",""
"4002620","3.8967","0.0001","3.8967","0.0001","7.5491","0.0001","90","","90","","90","","114.628","0.004","394","","394","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0709","0.0429","","","0.0564","0.0605","","","","2.23","2.23","1.82","","","","has coordinates","288070","2023-12-06","12:50:34",""
"4002621","3.8957","0.0001","3.8957","0.0001","7.5397","0.0001","90","","90","","90","","114.426","0.004","368","","368","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.072","0.0448","","","0.0565","0.06","","","","2.22","2.22","1.82","","","","has coordinates","288070","2023-12-06","12:50:34",""
"4002622","3.8953","0.0001","3.8953","0.0001","7.5364","0.0001","90","","90","","90","","114.353","0.004","358","","358","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0751","0.0482","","","0.0605","0.0644","","","","2.52","2.52","2.12","","","","has coordinates","288070","2023-12-06","12:50:37",""
"4002623","3.8943","0.0001","3.8943","0.0001","7.5297","0.0001","90","","90","","90","","114.192","0.004","327","","327","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0713","0.0469","","","0.0605","0.064","","","","2.52","2.52","2.12","","","","has coordinates","288070","2023-12-06","12:50:38",""
"4002624","3.8937","0.0001","3.8937","0.0001","7.5266","0.0001","90","","90","","90","","114.11","0.004","294","","294","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.061","0.0473","","","0.0616","0.0638","","","","3.08","3.08","2.73","","","","has coordinates","288070","2023-12-06","12:50:38",""
"4002625","4.9238","0.0007","4.9238","0.0007","7.9643","0.0012","90","","90","","120","","167.22","0.04","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe1.6 Hf Sn0.4 -","- Fe1.566 Hf Sn0.434 -","- Fe6.264 Hf4 Sn1.736 -","4","0.166667","","Calta, Nicholas P.; Francisco, Melanie C.; Malliakas, Christos D.; Schlueter, John A.; Kanatzidis, Mercouri G.","Four High-Temperature Ferromagnets in the Hf‒Fe‒Sn System","Chemistry of Materials","2014","","","141117155215003","","10.1021/cm503466a","","","0.71073","MoKα","","0.0245","0.023","","","0.0425","0.0428","","","","","","1.556","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002626","4.9944","0.0004","4.9944","0.0004","16.2604","0.0015","90","","90","","120","","351.26","0.05","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe2 Hf0.67 Sn0.33 -","- Fe2 Hf0.71 Sn0.29 -","- Fe16 Hf5.68 Sn2.32 -","8","0.333333","","Calta, Nicholas P.; Francisco, Melanie C.; Malliakas, Christos D.; Schlueter, John A.; Kanatzidis, Mercouri G.","Four High-Temperature Ferromagnets in the Hf‒Fe‒Sn System","Chemistry of Materials","2014","","","141117155215003","","10.1021/cm503466a","","","0.71073","MoKα","","0.0765","0.0558","","","0.0737","0.0777","","","","","","1.41","","","","has coordinates","160948","2020-10-21","18:00:00",""
"4002627","7.068","0.002","7.068","0.002","7.068","0.002","90","","90","","90","","353.09","0.17","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe2 Hf0.8 Sn0.2 -","- Fe2 Hf0.81 Sn0.19 -","- Fe16 Hf6.48 Sn1.52 -","8","0.0416667","","Calta, Nicholas P.; Francisco, Melanie C.; Malliakas, Christos D.; Schlueter, John A.; Kanatzidis, Mercouri G.","Four High-Temperature Ferromagnets in the Hf‒Fe‒Sn System","Chemistry of Materials","2014","","","141117155215003","","10.1021/cm503466a","","","0.71073","MoKα","","0.0677","0.0538","","","0.1215","0.1254","","","","","","1.193","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002628","9.7034","0.0012","16.823","0.002","8.4473","0.001","90","","90","","90","","1378.9","0.3","100","","100","","","","","","","","","3","P m m m (2*a,2*b,c)","-P 2 2 (1/2*x,1/2*y,z)","47","","","","- Fe5 Hf1.823 Sn3.815 -","- Fe5 Hf1.823 Sn3.814 -","- Fe40 Hf14.584 Sn30.512 -","8","","","Calta, Nicholas P.; Francisco, Melanie C.; Malliakas, Christos D.; Schlueter, John A.; Kanatzidis, Mercouri G.","Four High-Temperature Ferromagnets in the Hf‒Fe‒Sn System","Chemistry of Materials","2014","","","141117155215003","","10.1021/cm503466a","","x-ray","0.71073","MoKα","","0.0761","0.0688","","","0.2099","0.2143","","","","2.14","2.14","2.05","","","","has coordinates","160948","2020-10-21","18:00:00",""
"4028968","6.9659","0.0003","7.5441","0.0004","13.4092","0.0005","90.994","0.004","90.947","0.004","106.218","0.005","676.36","0.06","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Br N3 O2 -","- C13 H14 Br N3 O2 -","- C26 H28 Br2 N6 O4 -","2","1","","Pavlovskaya, Tatyana L.; Yaremenko, Fedor G.; Lipson, Victoria V.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Musatov, Vladimir I.; Karpenko, Alexander S.","The regioselective synthesis of spirooxindolo pyrrolidines and pyrrolizidines via three-component reactions of acrylamides and aroylacrylic acids with isatins and α-amino acids.","Beilstein journal of organic chemistry","2014","10","","117","126","10.3762/bjoc.10.8","","","0.71073","MoKα","","0.0728","0.0464","","","0.1022","0.111","","","","","","1.049","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028969","8.8751","0.0007","10.5764","0.0009","12.3519","0.001","75.858","0.005","84.297","0.005","76.237","0.005","1090.96","0.16","466","2","466","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Br Cl2 N2 O5 -","- C21 H19 Br Cl2 N2 O5 -","- C42 H38 Br2 Cl4 N4 O10 -","2","1","","Pavlovskaya, Tatyana L.; Yaremenko, Fedor G.; Lipson, Victoria V.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Musatov, Vladimir I.; Karpenko, Alexander S.","The regioselective synthesis of spirooxindolo pyrrolidines and pyrrolizidines via three-component reactions of acrylamides and aroylacrylic acids with isatins and α-amino acids.","Beilstein journal of organic chemistry","2014","10","","117","126","10.3762/bjoc.10.8","","","0.71073","MoKα","","0.082","0.043","","","0.1012","0.1103","","","","","","1.055","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028970","11.7435","0.0012","19.993","0.002","12.8657","0.0013","90","","101.902","0.002","90","","2955.8","0.5","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Cl3 N3 O4 -","- C30 H27 Cl3 N3 O4 -","- C120 H108 Cl12 N12 O16 -","4","1","","Ramkumar, Nagarajan; Nagarajan, Rajagopal","Total synthesis of ellipticine quinones, olivacine, and calothrixin B.","The Journal of organic chemistry","2014","79","2","736","741","10.1021/jo402593w","","","0.71073","MoKα","","0.0734","0.0652","","","0.1822","0.1928","","","","","","1.048","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028971","5.8881","0.0007","13.3081","0.0017","16.604","0.002","90","","95.657","0.011","90","","1294.7","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Ramkumar, Nagarajan; Nagarajan, Rajagopal","Total synthesis of ellipticine quinones, olivacine, and calothrixin B.","The Journal of organic chemistry","2014","79","2","736","741","10.1021/jo402593w","","","0.71073","MoKα","","0.0611","0.044","","","0.13","0.1479","","","","","","0.938","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028972","13.8909","0.0009","7.4062","0.0007","14.4885","0.001","90","","97.241","0.007","90","","1478.7","0.2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Ramkumar, Nagarajan; Nagarajan, Rajagopal","Total synthesis of ellipticine quinones, olivacine, and calothrixin B.","The Journal of organic chemistry","2014","79","2","736","741","10.1021/jo402593w","","","0.71073","MoKα","","0.0878","0.0712","","","0.2083","0.2296","","","","","","1.051","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028973","15.764","0.008","6.382","0.003","17.533","0.009","90","","114.882","0.008","90","","1600.2","1.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C72 H64 N8 O16 -","4","1","","Ramkumar, Nagarajan; Nagarajan, Rajagopal","Total synthesis of ellipticine quinones, olivacine, and calothrixin B.","The Journal of organic chemistry","2014","79","2","736","741","10.1021/jo402593w","","","0.71073","MoKα","","0.1033","0.0971","","","0.1914","0.194","","","","","","1.363","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028974","18.23","0.001","17.294","0.001","18.513","0.001","90","","99.26","0.001","90","","5760.5","0.6","173","1","173","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C65 H80 O5 -","- C65 H80 O5 -","- C260 H320 O20 -","4","1","","Poms, David; Itzhak, Norbert; Kuno, Lev; Biali, Silvio E.","Calixradialenes: calixarene derivatives with exocyclic double bonds.","The Journal of organic chemistry","2014","79","2","538","545","10.1021/jo402223x","","","0.71073","MoKα","","0.1024","0.0961","","","0.1914","0.1945","","","","","","1.33","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028975","15.927","0.001","19.085","0.001","24.566","0.002","90","","95.843","0.001","90","","7428.5","0.9","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H81 N O8.5 -","- C80 H81 N O8.5 -","- C320 H324 N4 O34 -","4","1","","Poms, David; Itzhak, Norbert; Kuno, Lev; Biali, Silvio E.","Calixradialenes: calixarene derivatives with exocyclic double bonds.","The Journal of organic chemistry","2014","79","2","538","545","10.1021/jo402223x","","","0.71073","MoKα","","0.1132","0.0978","","","0.2436","0.256","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028976","36.1535","0.0013","36.1535","0.0013","12.2934","0.0005","90","","90","","120","","13915.6","0.9","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H30 N2 S3 -","- C40 H30 N2 S3 -","- C720 H540 N36 S54 -","18","1","","Kato, Shin-Ichiro; Shimizu, Satoru; Kobayashi, Atsushi; Yoshihara, Toshitada; Tobita, Seiji; Nakamura, Yosuke","Systematic structure-property investigations on a series of alternating carbazole-thiophene oligomers.","The Journal of organic chemistry","2014","79","2","618","629","10.1021/jo402416f","","","0.7107","MoKα","","0.0916","0.0906","","","0.2119","0.2131","","","","","","1.202","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4028977","10.0598","0.0005","10.3875","0.0005","27.6339","0.0014","90","","90","","90","","2887.6","0.2","153","","153","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 I O4 Si -","- C30 H39 I O4 Si -","- C120 H156 I4 O16 Si4 -","4","1","","Akahori, Yoshihiro; Yamakoshi, Hiroyuki; Sawayama, Yuki; Hashimoto, Shunichi; Nakamura, Seiichi","Synthesis of Chiral Building Blocks for Oxygenated Terpenoids through a Simultaneous and Stereocontrolled Construction of Contiguous Quaternary Stereocenters by an Ireland-Claisen Rearrangement.","The Journal of organic chemistry","2014","79","2","720","735","10.1021/jo402537u","","","0.71073","MoKα","","0.0274","0.0264","","","0.0624","0.0629","","","","","","1.021","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028978","6.9874","0.0002","15.0838","0.0006","10.7658","0.0004","90","","92.493","0.003","90","","1133.6","0.07","100.35","0.1","100.35","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 B2 Br2 O4 -","- C20 H30 B2 Br2 O4 -","- C40 H60 B4 Br4 O8 -","2","1","","Cao, Sheng; Wang, Yibin; Peng, Xiaohua","The Leaving Group Strongly Affects H2O2-Induced DNA Cross-Linking by Arylboronates.","The Journal of organic chemistry","2014","79","2","501","508","10.1021/jo401901x","","","0.7107","MoKα","","0.0356","0.0311","","","0.0635","0.0665","","","","","","1.031","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028979","10.995","0.0005","15.2779","0.0007","9.2804","0.0004","90","","94.845","0.004","90","","1553.36","0.12","100.25","0.1","100.25","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 B Br2 O2 -","- C14 H19 B Br2 O2 -","- C56 H76 B4 Br8 O8 -","4","0.5","","Cao, Sheng; Wang, Yibin; Peng, Xiaohua","The Leaving Group Strongly Affects H2O2-Induced DNA Cross-Linking by Arylboronates.","The Journal of organic chemistry","2014","79","2","501","508","10.1021/jo401901x","","","0.7107","MoKα","","0.0321","0.024","","","0.0517","0.0554","","","","","","1.049","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028980","7.7199","0.0003","20.8635","0.0008","10.065","0.0003","90","","102.553","0.004","90","","1582.36","0.1","100.4","0.1","100.4","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 B Br2 O2 -","- C14 H19 B Br2 O2 -","- C56 H76 B4 Br8 O8 -","4","1","","Cao, Sheng; Wang, Yibin; Peng, Xiaohua","The Leaving Group Strongly Affects H2O2-Induced DNA Cross-Linking by Arylboronates.","The Journal of organic chemistry","2014","79","2","501","508","10.1021/jo401901x","","","0.7107","MoKα","","0.0411","0.0309","","","0.0706","0.0757","","","","","","1.027","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028981","19.0571","0.0003","26.6288","0.0004","22.2563","0.0004","90","","100.207","0.0016","90","","11115.6","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 B2 Br2 O4 -","- C26 H34 B2 Br2 O4 -","- C416 H544 B32 Br32 O64 -","16","4","","Cao, Sheng; Wang, Yibin; Peng, Xiaohua","The Leaving Group Strongly Affects H2O2-Induced DNA Cross-Linking by Arylboronates.","The Journal of organic chemistry","2014","79","2","501","508","10.1021/jo401901x","","","1.5418","CuKα","","0.0811","0.0743","","","0.1982","0.2044","","","","","","1.067","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028982","10.893","0.002","11.806","0.002","11.988","0.002","77.45","0.03","79.49","0.03","72.23","0.03","1421.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Bridged-bisheterocycle_(3a)","","","- C30 H29 N3 O7 S -","- C30 H29 N3 O7 S -","- C60 H58 N6 O14 S2 -","2","1","","Dang, Ling; Liang, Libo; Qian, Cheng; Fu, Meiqin; Ma, Tongmei; Xu, Dingguo; Jiang, Huanfeng; Zeng, Wei","Cu(OAc)2-Promoted Cascade Carboamination/Oxidative Cyclization of C-Acylimines with Alkenes.","The Journal of organic chemistry","2014","79","2","769","776","10.1021/jo402705w","","","0.71073","MoKα","","0.0906","0.0551","","","0.1707","0.2369","","","","","","1.114","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028983","5.84","0.0001","9.7694","0.0001","17.7381","0.0002","90","","90.395","0.001","90","","1011.99","0.02","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C40 H60 O12 -","2","1","","Liu, Jia; He, Xiu-Feng; Wang, Gai-Hong; Merino, Emilio F.; Yang, Sheng-Ping; Zhu, Rong-Xiu; Gan, Li-She; Zhang, Hua; Cassera, Maria B.; Wang, He-Yao; Kingston, David G. I.; Yue, Jian-Min","Aphadilactones A-D, Four Diterpenoid Dimers with DGAT Inhibitory and Antimalarial Activities from a Meliaceae Plant.","The Journal of organic chemistry","2014","79","2","599","607","10.1021/jo402340h","","","1.54178","CuKα","","0.0438","0.0434","","","0.1291","0.1303","","","","","","1.032","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028984","16.1459","0.0011","11.8659","0.0008","18.6686","0.0012","90","","108.086","0.001","90","","3399.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H34 N2 O2 -","- C46 H34 N2 O2 -","- C184 H136 N8 O8 -","4","1","","Xie, Ye-Xiang; Tang, Ri-Yuan; Song, Ren-Jie; Xiang, Jian-Nan; Li, Jin-Heng","Synthesis of Benzocyclohepta[b]indoles by Lewis Acid Catalyzed Annulation of Two 3-(1H-Isochromen-1-yl)-1H-indoles.","The Journal of organic chemistry","2014","79","2","686","691","10.1021/jo4024667","","","0.71073","MoKα","","0.0639","0.0432","","","0.1042","0.1124","","","","","","0.925","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028985","14.802","0.006","5.944","0.003","17.408","0.007","90","","97.367","0.011","90","","1519","1.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F3 O2 -","- C18 H13 F3 O2 -","- C72 H52 F12 O8 -","4","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","1.54187","CuKα","","","0.0424","","","","0.1358","","","","","","1.082","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028986","5.8546","0.0015","12.369","0.003","25.48","0.006","90","","90","","90","","1845.1","0.8","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O3 S -","- C19 H18 Br N O3 S -","- C76 H72 Br4 N4 O12 S4 -","4","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","0.71075","MoKα","","","0.0411","","","","0.0829","","","","","","0.992","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028987","35.284","0.016","11.135","0.005","7.735","0.003","90","","90","","90","","3039","2","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H13 F3 O2 -","- C18 H13 F3 O2 -","- C144 H104 F24 O16 -","8","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","1.54187","CuKα","","","0.0843","","","","0.2637","","","","","","1.027","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028988","12.737","0.005","16.582","0.005","11.105","0.004","90","","114.931","0.007","90","","2126.9","1.3","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C96 H84 N4 O12 S4 -","4","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","0.71075","MoKα","","","0.0587","","","","0.1679","","","","","","0.923","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028989","21.215","0.007","5.6844","0.0012","17.143","0.006","90","","100.435","0.007","90","","2033.2","1.1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C96 H84 N4 O12 S4 -","4","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","0.71075","MoKα","","","0.1266","","","","0.3672","","","","","","1.068","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028990","9.9059","0.0013","13.8595","0.0018","16.783","0.003","90","","90","","90","","2304.2","0.6","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O4 S -","- C23 H22 Br N O4 S -","- C92 H88 Br4 N4 O16 S4 -","4","1","","Smith, Siobhan R.; Douglas, James; Prevet, Hugues; Shapland, Peter; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-Catalyzed Asymmetric Synthesis of β-Lactams and β-Amino Esters from Arylacetic Acid Derivatives and N-Sulfonylaldimines.","The Journal of organic chemistry","2014","79","4","1626","1639","10.1021/jo402590m","","","0.71075","MoKα","","","0.0417","","","","0.0718","","","","","","0.973","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028991","6.0161","0.0004","14.424","0.002","21.643","0.003","90","","90","","90","","1878.1","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Eske, Angelika; Goldfuss, Bernd; Griesbeck, Axel G.; de Kiff, Alan; Kleczka, Margarethe; Leven, Matthias; Neudörfl, Jörg-M; Vollmer, Moritz","Ene-diene transmissive cycloaddition reactions with singlet oxygen: the vinylogous gem effect and its use for polyoxyfunctionalization of dienes.","The Journal of organic chemistry","2014","79","4","1818","1829","10.1021/jo5000434","","","0.71073","MoKα","","0.0915","0.0399","","","0.0691","0.0785","","","","","","1.008","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028992","9.4717","0.0003","26.886","0.0005","10.7925","0.0002","90","","103.667","0.0019","90","","2670.56","0.11","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H20 F6 N2 O3 -","- C32 H20 F6 N2 O3 -","- C128 H80 F24 N8 O12 -","4","1","","Azuma, Takumi; Kobayashi, Yusuke; Sakata, Ken; Sasamori, Takahiro; Tokitoh, Norihiro; Takemoto, Yoshiji","Synthesis and characterization of binary-complex models of ureas and 1,3-dicarbonyl compounds: deeper insights into reaction mechanisms using snap-shot structural analysis.","The Journal of organic chemistry","2014","79","4","1805","1817","10.1021/jo4028775","","","0.71075","MoKα","","0.0665","0.0559","","","0.1399","0.1486","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028993","9.1358","0.0002","9.3779","0.0002","16.4931","0.0004","84.1242","0.0013","83.5138","0.001","84.6915","0.0014","1391.93","0.05","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 F6 N2 O4 -","- C32 H27 F6 N2 O4 -","- C64 H54 F12 N4 O8 -","2","1","","Azuma, Takumi; Kobayashi, Yusuke; Sakata, Ken; Sasamori, Takahiro; Tokitoh, Norihiro; Takemoto, Yoshiji","Synthesis and characterization of binary-complex models of ureas and 1,3-dicarbonyl compounds: deeper insights into reaction mechanisms using snap-shot structural analysis.","The Journal of organic chemistry","2014","79","4","1805","1817","10.1021/jo4028775","","","0.71075","MoKα","","0.0698","0.0618","","","0.1512","0.1585","","","","","","1.033","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4028994","9.6008","0.0001","12.0613","0.0002","22.8444","0.0003","90","","90","","90","","2645.34","0.06","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 N3 O3 -","- C32 H33 N3 O3 -","- C128 H132 N12 O12 -","4","1","","Azuma, Takumi; Kobayashi, Yusuke; Sakata, Ken; Sasamori, Takahiro; Tokitoh, Norihiro; Takemoto, Yoshiji","Synthesis and characterization of binary-complex models of ureas and 1,3-dicarbonyl compounds: deeper insights into reaction mechanisms using snap-shot structural analysis.","The Journal of organic chemistry","2014","79","4","1805","1817","10.1021/jo4028775","","","0.71075","MoKα","","0.0295","0.0274","","","0.0651","0.0665","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028995","10.4509","0.0002","12.8373","0.0002","14.3242","0.0003","90","","95.178","0.001","90","","1913.91","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 B O2 S -","- C20 H23 B O2 S -","- C80 H92 B4 O8 S4 -","4","1","","Zhu, Gangguo; Kong, Wei; Feng, Hui; Qian, Zhaosheng","Synthesis of (Z)-1-Thio- and (Z)-2-Thio-1-alkenyl Boronates via Copper-Catalyzed Regiodivergent Hydroboration of Thioacetylenes: An Experimental and Theoretical Study.","The Journal of organic chemistry","2014","79","4","1786","1795","10.1021/jo4028402","","","0.71073","MoKα","","","0.0595","","","0.1613","0.175","","","","","","1.039","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028996","17.3504","0.0016","6.1246","0.0007","17.8836","0.0017","90","","117.107","0.006","90","","1691.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 B O2 S -","- C16 H23 B O2 S -","- C64 H92 B4 O8 S4 -","4","1","","Zhu, Gangguo; Kong, Wei; Feng, Hui; Qian, Zhaosheng","Synthesis of (Z)-1-Thio- and (Z)-2-Thio-1-alkenyl Boronates via Copper-Catalyzed Regiodivergent Hydroboration of Thioacetylenes: An Experimental and Theoretical Study.","The Journal of organic chemistry","2014","79","4","1786","1795","10.1021/jo4028402","","","0.71073","MoKα","","0.0962","0.0498","","","0.1464","0.1828","","","","","","1.013","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028997","5.6997","0.0006","26.578","0.002","23.461","0.002","90","","93.845","0.008","90","","3546","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N10 O7 -","- C34 H40 N10 O7 -","- C136 H160 N40 O28 -","4","1","","Spanier, Lukas; Ciglia, Emanuele; Hansen, Finn K.; Kuna, Krystina; Frank, Walter; Gohlke, Holger; Kurz, Thomas","Design, Synthesis, and Conformational Analysis of Trispyrimidonamides as α-Helix Mimetics.","The Journal of organic chemistry","2014","79","4","1582","1593","10.1021/jo402353z","","","0.71073","MoKα","","0.2415","0.1627","","","0.3242","0.3654","","","","","","1.307","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4028998","10.2041","0.0014","9.0692","0.0012","10.6334","0.0015","90","","118.081","0.003","90","","868.2","0.2","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H29 N O S -","- C16 H29 N O S -","- C32 H58 N2 O2 S2 -","2","1","","Bosque, Irene; Bagdatli, Emine; Foubelo, Francisco; Gonzalez-Gomez, Jose C","Regio- and stereoselective aminopentadienylation of carbonyl compounds.","The Journal of organic chemistry","2014","79","4","1796","1804","10.1021/jo402854z","","","0.71073","MoKα","","0.0618","0.0454","","","0.0922","0.0995","","","","","","1.004","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028999","34.53","0.005","15.623","0.002","9.9225","0.0014","90","","93.24","0.002","90","","5344.3","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62.83 H45.66 Cl1.66 N2 O2 -","- C62.83 H45.66 Cl1.66 N2 O2 -","- C251.32 H182.64 Cl6.64 N8 O8 -","4","1","","Commins, Patrick; Garcia-Garibay, Miguel A","Photochromic molecular gyroscope with solid state rotational States determined by an azobenzene bridge.","The Journal of organic chemistry","2014","79","4","1611","1619","10.1021/jo402516n","","","0.71073","MoKα","","0.1008","0.0633","","","0.1732","0.1919","","","","","","1.065","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4029000","10.9892","0.0015","18.447","0.002","10.4836","0.0015","90","","94.773","0.004","90","","2117.8","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 O P -","- C28 H23 O P -","- C112 H92 O4 P4 -","4","1","","Li, Da-Peng; Pan, Xiang-Qiang; An, Li-Tao; Zou, Jian-Ping; Zhang, Wei","Manganese(III)-Mediated Selective Diphenylphosphinoyl Radical Reaction of 1,4-Diaryl-1-butynes for the Synthesis of 2-Phosphinoylated 3,4-Dihydronaphathalenes.","The Journal of organic chemistry","2014","79","4","1850","1855","10.1021/jo402556a","","","0.71075","MoKα","","0.0684","0.0517","","","0.131","0.142","","","","","","1.106","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029001","10.9371","0.0019","18.062","0.003","10.629","0.0018","90","","93.849","0.004","90","","2095","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 O2 P -","- C27 H21 O2 P -","- C108 H84 O8 P4 -","4","1","","Li, Da-Peng; Pan, Xiang-Qiang; An, Li-Tao; Zou, Jian-Ping; Zhang, Wei","Manganese(III)-Mediated Selective Diphenylphosphinoyl Radical Reaction of 1,4-Diaryl-1-butynes for the Synthesis of 2-Phosphinoylated 3,4-Dihydronaphathalenes.","The Journal of organic chemistry","2014","79","4","1850","1855","10.1021/jo402556a","","","0.7107","MoKα","","0.0798","0.0637","","","0.1224","0.1301","","","","","","1.063","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029002","9.1444","0.0006","10.7731","0.0006","10.2668","0.0006","90","","115.759","0.003","90","","910.91","0.1","200","2","200","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H18 I N3 O2 -","- C18 H18 I N3 O2 -","- C36 H36 I2 N6 O4 -","2","1","","Zanwar, Manoj R.; Kavala, Veerababurao; Gawande, Sachin D.; Kuo, Chun-Wei; Huang, Wen-Chang; Kuo, Ting-Shen; Huang, Hsiu-Ni; He, Chiu-Hui; Yao, Ching-Fa","FeCl3 Catalyzed Regioselective C-Alkylation of Indolylnitroalkenes with Amino Group Substituted Arenes.","The Journal of organic chemistry","2014","79","4","1842","1849","10.1021/jo4025368","","","0.71073","MoKα","","0.0388","0.0336","","","0.0718","0.0742","","","","","","1.077","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029003","12.3676","0.0017","10.7025","0.0016","16.056","0.003","90","","99.159","0.007","90","","2098.1","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O2 -","- C26 H21 N3 O2 -","- C104 H84 N12 O8 -","4","1","","Zanwar, Manoj R.; Kavala, Veerababurao; Gawande, Sachin D.; Kuo, Chun-Wei; Huang, Wen-Chang; Kuo, Ting-Shen; Huang, Hsiu-Ni; He, Chiu-Hui; Yao, Ching-Fa","FeCl3 Catalyzed Regioselective C-Alkylation of Indolylnitroalkenes with Amino Group Substituted Arenes.","The Journal of organic chemistry","2014","79","4","1842","1849","10.1021/jo4025368","","","0.71073","MoKα","","0.1401","0.0698","","","0.1503","0.1783","","","","","","1.06","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029004","12.027","0.001","6.5477","0.0005","16.2446","0.0013","90","","106.17","0.004","90","","1228.64","0.17","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H34 N2 O3 S2 Sn -","- C20 H34 N2 O3 S2 Sn -","- C40 H68 N4 O6 S4 Sn2 -","2","1","","Kim, Jihyun; Kim, Hyuna; Kim, Nana; Yu, Chan-Mo","Regulation of Diastereoselectivity in the Carbocyclization of Allenyl (S)-N-tert-Butylsulfinimines through a Three-Component Assembly.","The Journal of organic chemistry","2014","79","3","1040","","10.1021/jo4025072","","","0.71073","MoKα","","0.0634","0.0376","","","0.0643","0.0703","","","","","","1.043","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029005","11.7403","0.0004","12.2518","0.0004","14.731","0.0005","90","","90","","90","","2118.9","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Br N2 O3 S2 -","- C17 H25 Br N2 O3 S2 -","- C68 H100 Br4 N8 O12 S8 -","4","1","","Kim, Jihyun; Kim, Hyuna; Kim, Nana; Yu, Chan-Mo","Regulation of Diastereoselectivity in the Carbocyclization of Allenyl (S)-N-tert-Butylsulfinimines through a Three-Component Assembly.","The Journal of organic chemistry","2014","79","3","1040","","10.1021/jo4025072","","","0.71073","MoKα","","0.0639","0.0346","","","0.0739","0.083","","","","","","1.01","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029006","6.6611","0.0011","15.257","0.002","26.691","0.004","90","","90","","90","","2712.6","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H38 N2 O4 S2 Sn -","- C21 H36 N2 O4 S2 Sn -","- C84 H144 N8 O16 S8 Sn4 -","4","1","","Kim, Jihyun; Kim, Hyuna; Kim, Nana; Yu, Chan-Mo","Regulation of Diastereoselectivity in the Carbocyclization of Allenyl (S)-N-tert-Butylsulfinimines through a Three-Component Assembly.","The Journal of organic chemistry","2014","79","3","1040","","10.1021/jo4025072","","","0.71073","MoKα","","0.3073","0.0731","","","0.1209","0.1757","","","","","","0.897","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029007","43.61","0.008","6.0586","0.0011","33.754","0.006","90","","128.889","0.002","90","","6942","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl2 N12 O4 -","- C34 H30 Cl2 N12 O4 -","- C272 H240 Cl16 N96 O32 -","8","1","","Xie, Ming-Sheng; Chu, Zhi-Liang; Niu, Hong-Ying; Qu, Gui-Rong; Guo, Hai-Ming","A Copper-Catalyzed Domino Route toward Purine-Fused Tricyclic Derivatives.","The Journal of organic chemistry","2014","79","3","1093","","10.1021/jo4025489","","","0.71073","MoKα","","0.1337","0.0557","","","0.1253","0.1604","","","","","","1.009","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029008","5.0136","0.0008","5.3946","0.0006","9.3077","0.0013","84.817","0.01","82.484","0.012","80.657","0.011","245.65","0.06","173","2","173","2","","","","","","","","4","P 1","P 1","1","","(2S,6S)-2,6-Dichloroheptane-1,7-diol","","- C7 H14 Cl2 O2 -","- C7 H14 Cl2 O2 -","- C7 H14 Cl2 O2 -","1","1","","Swatschek, Jörg; Grothues, Lydia; Bauer, Jonathan O.; Strohmann, Carsten; Christmann, Mathias","A Formal, One-Pot β-Chlorination of Primary Alcohols and Its Utilization in the Transformation of Terpene Feedstock and the Synthesis of a C2-Symmetrical Terminal Bis-Epoxide.","The Journal of organic chemistry","2014","79","3","976","","10.1021/jo402422b","","","0.71073","MoKα","","0.0201","0.0198","","","0.053","0.0533","","","","","","1","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029009","5.6469","0.0008","9.0685","0.0012","14.814","0.002","104.534","0.011","98.37","0.012","93.921","0.012","722.14","0.18","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H17 N3 -","- C17 H17 N3 -","- C34 H34 N6 -","2","1","","Nasr-Esfahani, Mahboobeh; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad R.; Moghadam, Majid; Mirkhani, Valiollah; Tangestaninejad, Shahram; Amiri Rudbari, Hadi","Copper Immobilized on Nanosilica Triazine Dendrimer (Cu(II)-TD@nSiO2)-Catalyzed Regioselective Synthesis of 1,4-Disubstituted 1,2,3-Triazoles and Bis- and Tris-Triazoles via a One-Pot Multicomponent Click Reaction.","The Journal of organic chemistry","2014","79","3","1437","","10.1021/jo402170n","","","0.71073","MoKα","","0.1116","0.0783","","","0.1917","0.2092","","","","","","1.095","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029010","9.8869","0.0005","9.9389","0.0006","16.1785","0.0009","90","","90","","90","","1589.78","0.15","","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N O3 P -","- C17 H20 N O3 P -","- C68 H80 N4 O12 P4 -","4","1","","Qu, Bo; Samankumara, Lalith P.; Savoie, Jolaine; Fandrick, Daniel R.; Haddad, Nizar; Wei, Xudong; Ma, Shengli; Lee, Heewon; Rodriguez, Sonia; Busacca, Carl A.; Yee, Nathan K.; Song, Jinhua J.; Senanayake, Chris H.","Synthesis of Pyridyl-dihydrobenzooxaphosphole Ligands and Their Application in Asymmetric Hydrogenation of Unfunctionalized Alkenes.","The Journal of organic chemistry","2014","79","3","993","","10.1021/jo4024864","","","1.54178","CuKα","","0.0263","0.0261","","","","0.0689","","","","","","1.0439","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029011","7.998","0.0004","19.3464","0.0008","13.199","0.0007","90","","110.087","0.001","90","","1918.08","0.16","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C76 H88 N8 O12 S4 -","4","1","","Yao, Bangben; Shen, Chuang; Liang, Zunjun; Zhang, Yuhong","Copper-Catalyzed Reaction of Ketenimine and in Situ Generated Immonium Ion: Access to α,β-Unsaturated Amidines.","The Journal of organic chemistry","2014","79","3","936","","10.1021/jo402368x","","","0.71073","MoKα","","0.104","0.0474","","","0.1087","0.156","","","","","","1","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029012","7.7286","0.0003","19.906","0.001","13.2464","0.0007","90","","102.301","0.004","90","","1991.11","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N2 O3 S -","- C20 H23 N2 O3 S -","- C80 H92 N8 O12 S4 -","4","1","","Yao, Bangben; Shen, Chuang; Liang, Zunjun; Zhang, Yuhong","Copper-Catalyzed Reaction of Ketenimine and in Situ Generated Immonium Ion: Access to α,β-Unsaturated Amidines.","The Journal of organic chemistry","2014","79","3","936","","10.1021/jo402368x","","","0.71073","MoKα","","0.1432","0.0486","","","0.1144","0.1319","","","","","","0.804","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029013","12.5682","0.0004","7.3873","0.0002","11.2454","0.0004","90","","98.128","0.001","90","","1033.59","0.06","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","10-NA","4-Benzenesulfonyl-2-formylpyrrole","","- C11 H9 N O3 S -","- C11 H9 N O3 S -","- C44 H36 N4 O12 S4 -","4","1","","Chen, Chih-Yuan; Bocian, David F.; Lindsey, Jonathan S.","Synthesis of 24 Bacteriochlorin Isotopologues, Each Containing a Symmetrical Pair of (13)C or (15)N Atoms in the Inner Core of the Macrocycle.","The Journal of organic chemistry","2014","79","3","1001","","10.1021/jo402488n","","","0.71073","MoKα","","0.0359","0.0322","","","0.0883","0.0914","","","","","","1.079","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029014","7.107","0.002","7.758","0.002","10.62","0.003","75.924","0.005","79.636","0.006","71.112","0.006","534.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N2 O4 -","- C10 H10 N2 O4 -","- C20 H20 N4 O8 -","2","1","","Wang, Zheng-Lin; Li, Hong-Liang; Ge, Li-Shi; An, Xing-Lan; Zhang, Zi-Gang; Luo, Xiaoyan; Fossey, John S.; Deng, Wei-Ping","DDQ-Mediated Oxidative Coupling: An Approach to 2,3-Dicyanofuran (Thiophene).","The Journal of organic chemistry","2014","79","3","1156","","10.1021/jo4026034","","","0.71073","MoKα","","0.0823","0.069","","","0.1963","0.2092","","","","","","1.08","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029015","10.7714","0.0011","7.8126","0.0008","11.5206","0.0012","90","","106.574","0.002","90","","929.21","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H16 N2 O4 -","- C22 H16 N2 O4 -","- C44 H32 N4 O8 -","2","1","","Wang, Zheng-Lin; Li, Hong-Liang; Ge, Li-Shi; An, Xing-Lan; Zhang, Zi-Gang; Luo, Xiaoyan; Fossey, John S.; Deng, Wei-Ping","DDQ-Mediated Oxidative Coupling: An Approach to 2,3-Dicyanofuran (Thiophene).","The Journal of organic chemistry","2014","79","3","1156","","10.1021/jo4026034","","","0.71073","MoKα","","0.0387","0.0346","","","0.0943","0.0977","","","","","","1.067","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029016","8.1738","0.0011","21.296","0.003","8.4023","0.0011","90","","109.477","0.003","90","","1378.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O S -","- C15 H11 N3 O S -","- C60 H44 N12 O4 S4 -","4","1","","Wang, Zheng-Lin; Li, Hong-Liang; Ge, Li-Shi; An, Xing-Lan; Zhang, Zi-Gang; Luo, Xiaoyan; Fossey, John S.; Deng, Wei-Ping","DDQ-Mediated Oxidative Coupling: An Approach to 2,3-Dicyanofuran (Thiophene).","The Journal of organic chemistry","2014","79","3","1156","","10.1021/jo4026034","","","0.71073","MoKα","","0.0635","0.0573","","","0.1382","0.1445","","","","","","1.068","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029017","8.9155","0.0005","19.5706","0.001","9.5106","0.0005","90","","115.773","0.002","90","","1494.35","0.14","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Li N O2 -","- C15 H24 Li N O2 -","- C60 H96 Li4 N4 O8 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0804","0.0592","","","0.145","0.1586","","","","","","1.016","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029018","10.1089","0.0007","10.1193","0.0007","10.1523","0.0007","63.117","0.003","66.551","0.003","63.364","0.003","802.79","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","ccs25jul12","","","- C16 H26 Li N O2 -","- C16 H26 Li N O2 -","- C32 H52 Li2 N2 O4 -","2","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0825","0.0642","","","0.1571","0.1686","","","","","","1.168","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029019","18.5362","0.0016","14.7209","0.0012","11.5776","0.001","90","","96.352","0.006","90","","3139.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ccs17aug12","","","- C32 H48 Li2 N2 O4 -","- C32 H48 Li2 N2 O4 -","- C128 H192 Li8 N8 O16 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0665","0.0566","","","0.1629","0.1733","","","","","","1.086","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029020","9.7929","0.0009","11.8274","0.001","15.003","0.0013","90","","104.686","0.004","90","","1680.9","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ccs20nov12","","","- C17 H26 Li N O2 -","- C17 H26 Li N O2 -","- C68 H104 Li4 N4 O8 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0776","0.0701","","","0.2134","0.229","","","","","","1.033","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029021","9.9429","0.0013","9.5568","0.0013","18.306","0.003","90","","97.905","0.004","90","","1722.9","0.4","208","2","208","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","ccs23jul12","","","- C17 H28 Li N O2 -","- C17 H28 Li N O2 -","- C68 H112 Li4 N4 O8 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0338","0.0291","","","0.0734","0.0772","","","","","","1.011","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029022","9.889","0.0013","10.3072","0.0015","17.281","0.002","90","","102.308","0.004","90","","1720.9","0.4","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ccs04jul12","","","- C17 H28 Li N O2 -","- C17 H28 Li N O2 -","- C68 H112 Li4 N4 O8 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1173","0.1071","","","0.2841","0.2963","","","","","","1.054","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029023","10.9483","0.0011","16.07","0.0014","13.5591","0.0012","90","","108.446","0.003","90","","2263","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ccs06sept12","","","- C21 H38 Li N3 O2 -","- C21 H38 Li N3 O2 -","- C84 H152 Li4 N12 O8 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1015","0.0927","","","0.2349","0.2462","","","","","","1.077","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029024","8.1783","0.0008","8.8499","0.0008","9.4271","0.0009","79.55","0.006","68.433","0.006","75.674","0.006","611.7","0.1","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H18 Li N O2 -","- C11 H18 Li N O2 -","- C22 H36 Li2 N2 O4 -","2","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1303","0.1005","","","0.2736","0.2913","","","","","","1.84","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029025","12.028","0.002","11.5363","0.0019","18.827","0.003","90","","95.417","0.005","90","","2600.7","0.7","208","2","208","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Li N O2 -","- C12 H20 Li N O2 -","- C96 H160 Li8 N8 O16 -","8","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0359","0.031","","","0.1184","0.1246","","","","","","1.125","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029026","9.3268","0.0014","9.5932","0.0016","14.897","0.002","90","","97.819","0.005","90","","1320.5","0.3","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ccs09jul12","","","- C13 H20 Li N O -","- C13 H20 Li N O -","- C52 H80 Li4 N4 O4 -","4","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1501","0.1051","","","0.2539","0.2883","","","","","","1.065","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029027","13.486","0.002","17.232","0.002","19.781","0.004","90","","97.401","0.006","90","","4558.6","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ccs31jul12","","","- C24 H34 Li N O3 -","- C24 H34 Li N O3 -","- C192 H272 Li8 N8 O24 -","8","2","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1099","0.0641","","","0.1429","0.1617","","","","","","1.045","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029028","8.056","0.003","14.504","0.005","9.639","0.004","90","","102.066","0.006","90","","1101.4","0.7","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","jg05oct12","","","- C21 H36 Li N O3 -","- C21 H36 Li N O3 -","- C42 H72 Li2 N2 O6 -","2","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0781","0.0726","","","0.1927","0.2017","","","","","","1.005","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029029","12.898","0.004","14.874","0.006","17.747","0.005","90","","103.175","0.012","90","","3315.1","1.9","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H52 Li2 N2 O3 -","- C32 H52 Li2 N2 O3 -","- C128 H208 Li8 N8 O12 -","4","2","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.1037","0.083","","","0.2067","0.2254","","","","","","1.056","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4029030","8.493","0.003","9.954","0.004","10.417","0.003","101.459","0.015","109.73","0.015","104.83","0.016","761","0.5","198","2","198","2","","","","","","","","5","P -1","-P 1","2","ccs06jun13","","","- C15 H24 Li N O -","- C15 H24 Li N O -","- C30 H48 Li2 N2 O2 -","2","1","","Su, Chicheung; Guang, Jie; Williard, Paul G.","Structures of Lithium N-Monosubstituted Anilides: Trisolvated Monomer to Tetrasolvated Dimer.","The Journal of organic chemistry","2014","79","3","1032","","10.1021/jo402498z","","","0.71073","","","0.0613","0.0486","","","0.1325","0.1412","","","","","","1.047","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029031","8.5026","0.0004","18.063","0.0008","18.5086","0.0011","90","","90","","90","","2842.6","0.2","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H12 Cl3 N O -","- C13 H12 Cl3 N O -","- C104 H96 Cl24 N8 O8 -","8","1","","Xie, Yuanzhen; Yu, Kai; Gu, Zhenhua","Stereoselective Synthesis of 1,3-Amino Alcohols by the Pd-Catalyzed Cyclization of Trichloroacetimidates.","The Journal of organic chemistry","2014","79","3","1289","","10.1021/jo402681z","","","0.71073","MoKα","","0.0509","0.0385","","","0.0881","0.0948","","","","","","1.017","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029032","14.549","0.003","5.7568","0.0012","14.436","0.003","90","","91.193","0.006","90","","1208.8","0.4","296.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H12 N3 O2 S -","- C14 H13.5 O2 S -","- C56 H54 O8 S4 -","4","1","","Kamimura, Akio; Nokubi, Tomomi; Watanabe, Ryusuke; Ishikawa, Mari; Nasu, Kotaro; Uno, Hidemitsu; Sumimoto, Michinori","4,4'-Diarylsulfanyl-2,2',5,5'-tetraoxybiaryl Derivatives as a Water-Soluble Fluorescent Dye.","The Journal of organic chemistry","2014","79","3","1068","","10.1021/jo402522y","","","0.71075","MoKα","","","0.0548","","","","0.0561","","","","","","5.75","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029033","19.0519","0.0004","16.3804","0.0003","15.9393","0.0003","90","","92.979","0.001","90","","4967.58","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C61 H65 N4 O8.5 -","- C61 H65 N4 O8.5 -","- C244 H260 N16 O34 -","4","1","","Collins, Carleton G.; Lee, Joshua M.; Oliver, Allen G.; Wiest, Olaf; Smith, Bradley D.","Internal and External Stereoisomers of Squaraine Rotaxane Endoperoxide: Synthesis, Chemical Differences, and Structural Revision.","The Journal of organic chemistry","2014","79","3","1120","","10.1021/jo402564k","","","1.54184","CuKα","","0.075","0.0584","","","0.1571","0.1708","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029034","14.501","0.0009","6.6118","0.0003","28.1947","0.0013","90","","102.553","0.006","90","","2638.6","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H15 Cl N O2 -","- C14.5 H15 Cl N O2 -","- C116 H120 Cl8 N8 O16 -","8","1","","Collins, Carleton G.; Lee, Joshua M.; Oliver, Allen G.; Wiest, Olaf; Smith, Bradley D.","Internal and External Stereoisomers of Squaraine Rotaxane Endoperoxide: Synthesis, Chemical Differences, and Structural Revision.","The Journal of organic chemistry","2014","79","3","1120","","10.1021/jo402564k","","","1.54184","CuKα","","0.0637","0.0457","","","0.1145","0.1252","","","","","","1.068","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4029035","10.33","0.002","11.014","0.003","20.136","0.004","90","","103.909","0.003","90","","2223.8","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl N O4 -","- C26 H22 Cl N O4 -","- C104 H88 Cl4 N4 O16 -","4","1","","Zhang, Min; Luo, Fan; Gong, Yuefa","Stereoselective Cascade Formal Nucleophilic Substitution and Mannich Reaction of Ethyl 2-Aroyl-1-chlorocyclopropanecarboxylates.","The Journal of organic chemistry","2014","79","3","1335","","10.1021/jo402739f","","","0.71073","MoKα","","0.0633","0.0478","","","0.1379","0.1596","","","","","","1.041","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029036","10.7718","0.0015","20.433","0.003","12.4019","0.0017","90","","99.058","0.003","90","","2695.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N2 O6 S -","- C29 H30 N2 O6 S -","- C116 H120 N8 O24 S4 -","4","1","","Liu, Hua; Zheng, Chao; You, Shu-Li","Catalytic C6 Functionalization of 2,3-Disubstituted Indoles by Scandium Triflate.","The Journal of organic chemistry","2014","79","3","1047","","10.1021/jo402511b","","","0.71073","MoKα","","0.052","0.0415","","","0.1126","0.121","","","","","","1.035","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029037","8.372","0.003","25.812","0.008","12.748","0.004","90","","98.552","0.007","90","","2724.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N2 O6 S -","- C29 H30 N2 O6 S -","- C116 H120 N8 O24 S4 -","4","1","","Liu, Hua; Zheng, Chao; You, Shu-Li","Catalytic C6 Functionalization of 2,3-Disubstituted Indoles by Scandium Triflate.","The Journal of organic chemistry","2014","79","3","1047","","10.1021/jo402511b","","","0.71073","MoKα","","0.0736","0.0558","","","0.1445","0.1572","","","","","","1.024","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029038","9.8415","0.0009","10.5577","0.001","14.1518","0.0013","70.033","0.002","79.613","0.002","89.068","0.002","1357.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 N2 O6 S -","- C29 H30 N2 O6 S -","- C58 H60 N4 O12 S2 -","2","1","","Liu, Hua; Zheng, Chao; You, Shu-Li","Catalytic C6 Functionalization of 2,3-Disubstituted Indoles by Scandium Triflate.","The Journal of organic chemistry","2014","79","3","1047","","10.1021/jo402511b","","","0.71073","MoKα","","0.0531","0.0424","","","0.1169","0.1252","","","","","","1.043","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029039","6.1167","0.0017","13.975","0.002","14.558","0.002","90","","90","","90","","1244.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 F N2 O5 -","- C12 H15 F N2 O5 -","- C48 H60 F4 N8 O20 -","4","1","","Dugovic, Branislav; Leumann, Christian J.","A 6'-Fluoro-Substituent in Bicyclo-DNA Increases Affinity to Complementary RNA Presumably by CF-HC Pseudohydrogen Bonds.","The Journal of organic chemistry","2014","79","3","1271","","10.1021/jo402690j","","","0.71073","MoKα","","0.0827","0.0589","","","0.13","0.1418","","","","","","1.053","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029040","10.4726","0.0008","6.8537","0.0006","21.881","0.0016","90","","98.966","0.003","90","","1551.3","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Rajagopal, Basker; Chen, Ying-Yu; Chen, Chun-Chi; Liu, Xuan-Yu; Wang, Huei-Ren; Lin, Po-Chiao","Cu(I)-Catalyzed Synthesis of Dihydropyrimidin-4-ones toward the Preparation of β- and β(3)-Amino Acid Analogues.","The Journal of organic chemistry","2014","79","3","1254","","10.1021/jo402670d","","","0.71073","MoKα","","0.0705","0.0462","","","0.1034","0.1155","","","","","","1.026","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029041","7.8684","0.0013","13.971","0.002","8.8557","0.0016","90","","99.47","0.011","90","","960.2","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Lv, Jinglei; Zhang-Negrerie, Daisy; Deng, Jun; Du, Yunfei; Zhao, Kang","Metal-Free Synthesis of 2-Oxindoles via PhI(OAc)2-Mediated Oxidative C-C Bond Formation.","The Journal of organic chemistry","2014","79","3","1111","","10.1021/jo4025539","","","0.71073","MoKα","","0.0742","0.0563","","","0.1201","0.13","","","","","","1.118","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029042","11.448","0.0002","14.0412","0.0002","29.0912","0.0004","90","","90","","90","","4676.23","0.12","173","0.14","173","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O7 -","- C14 H20 O7 -","- C168 H240 O84 -","12","3","","Song, Liyan; Lee, Ka-Ho; Lin, Zhenyang; Tong, Rongbiao","Structural Revision of Cephalosporolide J and Bassianolone.","The Journal of organic chemistry","2014","79","3","1493","","10.1021/jo402602h","","","1.5418","CuKα","","0.0496","0.048","","","0.1245","0.1261","","","","","","1.002","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029043","5.5597","0.0001","8.6192","0.0003","21.5904","0.0006","90","","90","","90","","1034.62","0.05","173","0.14","173","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O5 -","- C10 H16 O5 -","- C40 H64 O20 -","4","1","","Song, Liyan; Lee, Ka-Ho; Lin, Zhenyang; Tong, Rongbiao","Structural Revision of Cephalosporolide J and Bassianolone.","The Journal of organic chemistry","2014","79","3","1493","","10.1021/jo402602h","","x-ray","1.5418","CuKα","","0.0329","0.0323","","","0.0822","0.0827","","","","","","1.004","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029044","13.621","0.0013","7.4887","0.0007","13.6778","0.0014","90","","104.871","0.002","90","","1348.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C52 H48 N8 O16 S4 -","4","1","","Paladhi, Sushovan; Bhati, Meeta; Panda, Deepanjan; Dash, Jyotirmayee","Thiazolidinedione-Isatin Conjugates via an Uncatalyzed Diastereoselective Aldol Reaction on Water.","The Journal of organic chemistry","2014","79","3","1473","","10.1021/jo402515d","","","0.71073","MoKα","","0.0492","0.0363","","","0.1033","0.118","","","","","","1.03","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029045","13.3514","0.0009","7.3471","0.0005","14.3492","0.0009","90","","103.439","0.002","90","","1369.03","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C56 H56 N8 O16 S4 -","4","1","","Paladhi, Sushovan; Bhati, Meeta; Panda, Deepanjan; Dash, Jyotirmayee","Thiazolidinedione-Isatin Conjugates via an Uncatalyzed Diastereoselective Aldol Reaction on Water.","The Journal of organic chemistry","2014","79","3","1473","","10.1021/jo402515d","","","0.71073","MoKα","","0.0329","0.0287","","","0.0721","0.0755","","","","","","1.046","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029046","14.655","0.0003","13.5527","0.0003","7.9644","0.0002","90","","100.376","0.001","90","","1555.98","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Hydroxy-5-phenyl-12-oxa-1-azatetracyclo [11.3.0.0^2,7^.0^9,13^]hexadeca-2,4,6,10-tetraen-16-one","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.0412","0.0379","","","0.105","0.1094","","","","","","0.891","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029047","8.4988","0.0006","9.4755","0.0007","21.698","0.0015","90","","92.317","0.004","90","","1745.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","11-Hydroxy-16-(pyridine-3-yl)-7-oxa-2-azapentacyclo [9.7.1.0^2,6^.0^6,10^.0^15,19^] nonadeca-1(19),8,15(16),17-tetraen-3-one","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.076","0.0646","","","0.2012","0.2172","","","","","","0.907","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029048","12.7615","0.0005","11.2442","0.0005","13.0344","0.0005","90","","102.229","0.002","90","","1827.9","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Hydroxy-15-(pyridine-3-yl)-9-oxa-2-azapentacyclo [8.7.1.1^6,9^.0^2,6^.0^14,18^]nonadeca- 1(18),7,14(15),16(17)tetraen-3-one","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.0465","0.0441","","","0.1428","0.1465","","","","","","0.747","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029049","13.2746","0.0004","13.6899","0.0004","7.9482","0.0002","90","","95.563","0.001","90","","1437.61","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(Furan-2-yl)-8-hydroxy-12-oxa-1-azatetracyclo [11.3.0.02,7.09,13]hexadeca-2,4,6,10-tetraen-12-one","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.0419","0.0405","","","0.1076","0.1102","","","","","","0.876","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029050","7.6925","0.0009","13.0724","0.0016","14.116","0.0017","90.117","0.005","90.02","0.005","92.618","0.005","1418","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5-(furan-2-yl)-2-hydroxy-16-oxa-9-azatetracyclo [11.2.1.0^3,8^.0^5,9^]hexadeca-3,5,7,14-tetraen-10-one","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","2","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.0379","0.0355","","","0.1","0.1037","","","","","","0.859","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029051","14.5159","0.0003","7.8114","0.0002","14.8797","0.0003","90","","112.35","0.001","90","","1560.46","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Hydroxy-6-(pyridin-3-yl)-12-oxa-1-azatetracyclo [11.3.0.0^2,7^.0^9,13^] hexadeca-2,4,6,10-tetraen-16-one","","- C19 H17 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Cronk, W. Cole; Mukhina, Olga A.; Kutateladze, Andrei G.","Intramolecular Photoassisted Cycloadditions of Azaxylylenes and Postphotochemical Capstone Modifications via Suzuki Coupling Provide Access to Complex Polyheterocyclic Biaryls.","The Journal of organic chemistry","2014","79","3","1235","","10.1021/jo4026447","","","0.71073","MoKα","","0.042","0.0396","","","0.0897","0.0916","","","","","","1.109","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029052","13.0933","0.0014","10.9512","0.0011","14.9276","0.0015","90","","107.682","0.002","90","","2039.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","1","","Siyang, Hai Xiao; Wu, Xu Rui; Liu, Hui Ling; Wu, Xin Yan; Liu, Pei Nian","A Tandem Reaction of Benzyne with Functionalized Benzylidenephthalan To Afford Phenanthro[10,1-bc]furan.","The Journal of organic chemistry","2014","79","3","1505","","10.1021/jo402701q","","","0.71073","MoKα","","0.0749","0.0534","","","0.1339","0.1461","","","","","","1.043","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029053","10.0966","0.0009","10.7209","0.0009","13.1753","0.0011","94.573","0.002","94.171","0.002","109.28","0.002","1334.4","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 B O2 Si -","- C28 H33 B O2 Si -","- C56 H66 B2 O4 Si2 -","2","1","","Jiao, Jiao; Hyodo, Keita; Hu, Hao; Nakajima, Kiyohiko; Nishihara, Yasushi","Selective synthesis of multisubstituted olefins utilizing gem- and vic-diborylated vinylsilanes prepared by silylborylation of an alkynylboronate and diborylation of alkynylsilanes.","The Journal of organic chemistry","2014","79","1","285","295","10.1021/jo4024057","","","0.71075","MoKα","","0.1186","0.0714","","","0.1774","0.2063","","","","","","1.026","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029054","9.6731","0.0011","12.2468","0.0014","13.2905","0.0014","106.215","0.002","91.906","0.002","104.067","0.002","1457.8","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 B2 O4 Si -","- C28 H40 B2 O4 Si -","- C56 H80 B4 O8 Si2 -","2","1","","Jiao, Jiao; Hyodo, Keita; Hu, Hao; Nakajima, Kiyohiko; Nishihara, Yasushi","Selective synthesis of multisubstituted olefins utilizing gem- and vic-diborylated vinylsilanes prepared by silylborylation of an alkynylboronate and diborylation of alkynylsilanes.","The Journal of organic chemistry","2014","79","1","285","295","10.1021/jo4024057","","","0.71075","MoKα","","0.2351","0.1058","","","0.1969","0.2558","","","","","","1.06","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029055","10.299","0.004","12.07","0.006","19.582","0.006","89.885","0.015","86.412","0.013","78.391","0.017","2379.6","1.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 F3 N O -","- C29 H20 F3 N O -","- C116 H80 F12 N4 O4 -","4","2","","Jiao, Jiao; Hyodo, Keita; Hu, Hao; Nakajima, Kiyohiko; Nishihara, Yasushi","Selective synthesis of multisubstituted olefins utilizing gem- and vic-diborylated vinylsilanes prepared by silylborylation of an alkynylboronate and diborylation of alkynylsilanes.","The Journal of organic chemistry","2014","79","1","285","295","10.1021/jo4024057","","","0.71075","MoKα","","0.1988","0.0759","","","0.1889","0.246","","","","","","0.938","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029056","9.39","0.005","27.085","0.013","9.422","0.005","90","","99.646","0.009","90","","2362","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H52 N4 O4 -","- C57 H52 N4 O4 -","- C114 H104 N8 O8 -","2","0.5","","Suraru, Sabin-Lucian; Burschka, Christian; Würthner, Frank","Diindole-annulated naphthalene diimides: synthesis and optical and electronic properties of syn- and anti-isomers.","The Journal of organic chemistry","2014","79","1","128","139","10.1021/jo402365s","","","0.71073","MoKα","","0.0656","0.0579","","","0.1358","0.14","","","","","","1.186","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029057","18.837","0.002","5.7769","0.0006","19.372","0.002","90","","101.358","0.008","90","","2066.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H60 N4 O4 -","- C50 H60 N4 O4 -","- C100 H120 N8 O8 -","2","1","","Suraru, Sabin-Lucian; Burschka, Christian; Würthner, Frank","Diindole-annulated naphthalene diimides: synthesis and optical and electronic properties of syn- and anti-isomers.","The Journal of organic chemistry","2014","79","1","128","139","10.1021/jo402365s","","","1.54178","CuKα","","0.0898","0.0537","","","0.1054","0.1203","","","","","","1.024","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029058","7.7338","0.0002","26.7364","0.0007","18.136","0.0005","90","","102.266","0.001","90","","3664.45","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 N4 O6 -","- C44 H48 N4 O6 -","- C176 H192 N16 O24 -","4","1","","Suraru, Sabin-Lucian; Burschka, Christian; Würthner, Frank","Diindole-annulated naphthalene diimides: synthesis and optical and electronic properties of syn- and anti-isomers.","The Journal of organic chemistry","2014","79","1","128","139","10.1021/jo402365s","","","1.54178","CuKα","","0.0398","0.0379","","","0.0959","0.0974","","","","","","1.048","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4029059","10.8868","0.0004","11.9949","0.0005","16.3976","0.0006","81.721","0.002","74.868","0.002","72.391","0.002","1965.27","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50.45 H44.9 Cl0.9 N4 O4 -","- C50.4482 H44.8964 Cl0.8964 N4 O4 -","- C100.896 H89.7928 Cl1.7928 N8 O8 -","2","1","","Suraru, Sabin-Lucian; Burschka, Christian; Würthner, Frank","Diindole-annulated naphthalene diimides: synthesis and optical and electronic properties of syn- and anti-isomers.","The Journal of organic chemistry","2014","79","1","128","139","10.1021/jo402365s","","","1.54178","CuKα","","0.0407","0.0351","","","0.0873","0.0914","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029060","31.296","0.005","31.296","0.005","18.216","0.003","90","","90","","90","","17841","5","298","2","298","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 N3 O9.44 S Si -","- C32 H40 N3 O9.324 S Si -","- C512 H640 N48 O149.184 S16 Si16 -","16","1","","Feng, Yiqing; Majireck, Max M.; Weinreb, Steven M.","Total syntheses of the monoterpene indole alkaloids (±)-alstilobanine A and E and (±)-angustilodine.","The Journal of organic chemistry","2014","79","1","7","24","10.1021/jo402495q","","","0.71073","MoKα","","0.2274","0.1145","","","0.3291","0.3987","","","","","","1.018","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029061","6.1138","0.0014","11.409","0.003","11.578","0.003","90","","95.228","0.003","90","","804.2","0.3","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O -","- C20 H22 O -","- C40 H44 O2 -","2","1","","Pan, Xuejing; Huang, Guobao; Long, Yuhua; Zuo, Xiongjun; Xu, Xuan; Gu, Fenglong; Yang, Dingqiao","Platinum(II)-catalyzed asymmetric ring-opening addition of arylboronic acids to oxabenzonorbornadienes.","The Journal of organic chemistry","2014","79","1","187","196","10.1021/jo402386k","","","0.71073","MoKα","","0.049","0.0372","","","0.0921","0.0995","","","","","","1.047","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029062","5.9699","0.0003","8.9969","0.0006","28.9795","0.0015","90","","95.309","0.006","90","","1549.83","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl O2 -","- C19 H15 Cl O2 -","- C76 H60 Cl4 O8 -","4","1","","Wang, Li-Jing; Zhu, Hai-Tao; Wang, An-Qi; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed tandem [3,3]-propargyl ester rearrangement leading to (E)-1H-inden-1-ones.","The Journal of organic chemistry","2014","79","1","204","212","10.1021/jo402396h","","","0.71073","MoKα","","0.0721","0.0506","","","0.1184","0.1376","","","","","","1.049","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029063","14.712","0.003","5.8398","0.0014","20.996","0.006","90","","105.27","0.03","90","","1740.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Wang, Li-Jing; Zhu, Hai-Tao; Wang, An-Qi; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed tandem [3,3]-propargyl ester rearrangement leading to (E)-1H-inden-1-ones.","The Journal of organic chemistry","2014","79","1","204","212","10.1021/jo402396h","","","0.7107","MoKα","","0.1882","0.0755","","","0.1398","0.1987","","","","","","0.964","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029064","5.5429","0.0006","8.4278","0.0009","34.013","0.003","90","","90","","90","","1588.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Wang, Li-Jing; Zhu, Hai-Tao; Wang, An-Qi; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed tandem [3,3]-propargyl ester rearrangement leading to (E)-1H-inden-1-ones.","The Journal of organic chemistry","2014","79","1","204","212","10.1021/jo402396h","","","0.71073","MoKα","","0.1001","0.0664","","","0.1412","0.1653","","","","","","1.077","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029065","11.2513","0.0011","16.593","0.002","8.0237","0.0009","90","","90","","90","","1498","0.3","292.36","0.1","292.36","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Wang, Li-Jing; Zhu, Hai-Tao; Wang, An-Qi; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed tandem [3,3]-propargyl ester rearrangement leading to (E)-1H-inden-1-ones.","The Journal of organic chemistry","2014","79","1","204","212","10.1021/jo402396h","","","0.7107","MoKα","","0.1351","0.0699","","","0.1173","0.1565","","","","","","1.07","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029066","4.345","0.005","12.641","0.005","29.745","0.005","90","0.005","90","0.005","90","0.005","1634","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1H-Benzo[d][1,2,3]triazol-1-yl)(4-(2-fluorophenyl)piperazin-1-yl)methanethione","","- C17 H16 F N5 S -","- C17 H16 F N5 S -","- C68 H64 F4 N20 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.0691","0.0467","","","0.1027","0.1205","","","","","","0.851","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029067","6.0723","0.0009","37.105","0.003","8.4532","0.0011","90","","110.984","0.017","90","","1778.3","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(E)-2-(4-Cinnamylpiperazin-1-yl)benzo[d]thiazole","","- C20 H21 N3 S -","- C20 H21 N3 S -","- C80 H84 N12 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.0958","0.0515","","","0.072","0.0871","","","","","","0.992","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029068","28.665","0.005","6.157","0.005","18.403","0.005","90","0.005","103.129","0.005","90","0.005","3163","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-(2-Chlorophenyl)piperazin-1-yl)benzo[d]thiazole","","- C17 H16 Cl N3 S -","- C17 H16 Cl N3 S -","- C136 H128 Cl8 N24 S8 -","8","2","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.0896","0.0546","","","0.115","0.1328","","","","","","1.038","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029069","5.8893","0.0003","8.5161","0.0005","28.35","0.002","90","","90","","90","","1421.86","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-(Pyridin-2-yl)piperazin-1-yl)benzo[d]thiazole","","- C16 H16 N4 S -","- C16 H16 N4 S -","- C64 H64 N16 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.065","0.0455","","","0.0811","0.0904","","","","","","1.041","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029070","4.75","0.005","13.031","0.005","18.356","0.005","90","0.005","90","0.005","90","0.005","1136.2","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(1H-benzo[d][1,2,3]triazol-1-yl)benzo[d]thiazole","","- C13 H8 N4 S -","- C13 H8 N4 S -","- C52 H32 N16 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.064","0.048","","","0.092","0.1011","","","","","","1.044","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029071","9.95","0.005","10.624","0.005","11.817","0.005","97.862","0.005","110.67","0.005","92.447","0.005","1152.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(Ferrocenylmethyl)-N-phenethyl-1H-benzo[d][1,2,3]triazole-1-carbothioamide","","- C26 H24 Fe N4 S -","- C26 H24 Fe N4 S -","- C52 H48 Fe2 N8 S2 -","2","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.1012","0.0544","","","0.091","0.1106","","","","","","0.997","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029072","5.794","0.005","18.784","0.005","19.784","0.005","88.613","0.005","86.767","0.005","88.134","0.005","2148","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(Ferrocenylmethyl)-N-phenethylbenzo[d]thiazol-2-amine","","- C26 H24 Fe N2 S -","- C26 H24 Fe N2 S -","- C104 H96 Fe4 N8 S4 -","4","2","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.1382","0.0809","","","0.1627","0.1926","","","","","","1.061","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029073","12.8513","0.0006","15.8223","0.0008","10.9565","0.0006","90","","96.729","0.005","90","","2212.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Dibenzyl-1-(ferrocenylmethyl)thiourea","","- C26 H26 Fe N2 S -","- C26 H26 Fe N2 S -","- C104 H104 Fe4 N8 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.0925","0.0493","","","0.09","0.1105","","","","","","1.03","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029074","16.821","0.003","27.947","0.006","36.187","0.007","90","","90","","90","","17011","6","173","2","173","2","","","","","","","","3","F 2 2 2","F 2 2","22","","","","- C44 H50 N4 -","- C44 H50 N4 -","- C704 H800 N64 -","16","1","","Hao, Qingshan; Yu, Shuai; Li, Shayu; Chen, Jinping; Zeng, Yi; Yu, Tianjun; Yang, Guoqiang; Li, Yi","Locked planarity: a strategy for tailoring ladder-type π-conjugated anilido-pyridine boron difluorides.","The Journal of organic chemistry","2014","79","1","459","464","10.1021/jo402583y","","","0.71073","MoKα","","0.1054","0.0855","","","0.2139","0.2349","","","","","","1.038","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029075","13.4267","0.0002","17.8534","0.0003","20.7231","0.0003","90","","90","","90","","4967.58","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C192 H256 N16 O48 -","8","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","1.54178","CuKα","","0.0552","0.0526","","","0.1587","0.1627","","","","","","1.029","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029076","7.5758","0.0002","9.3709","0.0003","12.8849","0.0004","92.136","0.001","97.274","0.002","97.046","0.001","899.22","0.05","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C38 H48 N4 O8 -","2","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","1.54178","CuKα","","0.0469","0.0407","","","0.1204","0.131","","","","","","1.05","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029077","7.1435","0.0008","15.1987","0.0018","8.8775","0.0011","90","","102.451","0.002","90","","941.18","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","0.71073","MoKα","","0.0432","0.0393","","","0.0962","0.0992","","","","","","1.041","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029078","10.0279","0.001","10.062","0.0009","21.191","0.002","90","","90","","90","","2138.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","- C88 H120 N8 O16 -","4","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","0.71073","MoKα","","0.0605","0.0409","","","0.0912","0.0999","","","","","","1.016","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029079","9.9069","0.0009","10.5077","0.0009","20.4388","0.0019","90","","90","","90","","2127.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C84 H120 N8 O16 -","4","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","0.71073","MoKα","","0.0743","0.0459","","","0.0912","0.1018","","","","","","1.011","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029080","8.3052","0.001","14.2683","0.0018","17.062","0.002","90","","100.866","0.002","90","","1985.6","0.4","130","2","130","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 O8 -","- C22 H22 O8 -","- C88 H88 O32 -","4","1","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.1398","0.0553","","","0.0973","0.119","","","","","","1.056","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029081","11.72","0.0014","11.9056","0.0015","16.424","0.002","87.568","0.002","75.432","0.002","71.159","0.002","2097.3","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H44 Br2 O16 -","- C44 H44 Br2 O16 -","- C88 H88 Br4 O32 -","2","1","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.2108","0.0913","","","0.2081","0.2398","","","","","","1.229","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029082","19.827","0.004","18.867","0.004","12.772","0.003","90","","103.59","0.003","90","","4643.9","1.7","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H54 Cl2 O16 -","- C47 H54 Cl2 O16 -","- C188 H216 Cl8 O64 -","4","0.5","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.1488","0.071","","","0.1769","0.2127","","","","","","1.061","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029083","16.6231","0.0014","22.3687","0.0019","12.0748","0.001","90","","117.234","0.001","90","","3992.1","0.6","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H21 Cl O7 -","- C21 H20 O7 -","- C168 H160 O56 -","8","1","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.099","0.0639","","","0.1769","0.193","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029084","16.123","0.004","22.373","0.005","12.678","0.003","90","","100.64","0.004","90","","4494.6","1.8","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H46 Br2 O17 -","- C45 H46 Br2 O17 -","- C180 H184 Br8 O68 -","4","1","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.2271","0.0722","","","0.1479","0.1964","","","","","","1","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029085","29.173","0.008","16.235","0.004","21.928","0.006","90","","92.484","0.004","90","","10376","5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 Br2 Cl6 O16 -","- C46 H46 Br2 Cl6 O16 -","- C368 H368 Br16 Cl48 O128 -","8","1","","Griffith, Daniel R.; Botta, Lorenzo; St Denis, Tyler G.; Snyder, Scott A.","Explorations of caffeic acid derivatives: total syntheses of rufescenolide, yunnaneic acids C and D, and studies toward yunnaneic acids A and B.","The Journal of organic chemistry","2014","79","1","88","105","10.1021/jo4023167","","","0.71073","MoKα","","0.1477","0.0738","","","0.2007","0.2383","","","","","","1.061","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029086","21.9855","0.0004","8.06787","0.00016","13.8359","0.0003","90","","91.2493","0.0018","90","","2453.58","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 F I O3 -","- C14 H14 F I O3 -","- C112 H112 F8 I8 O24 -","8","1","","Struble, Mark D.; Strull, Jessica; Patel, Kishan; Siegler, Maxime A.; Lectka, Thomas","Modulating ""jousting"" C-F—H-C interactions with a bit of hydrogen bonding.","The Journal of organic chemistry","2014","79","1","1","6","10.1021/jo4018205","","","1.54178","CuKα","","0.0188","0.0182","","","0.0464","0.0468","","","","","","1.046","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029087","5.7172","0.0012","10.941","0.002","15.717","0.003","90","","92.598","0.003","90","","982.1","0.3","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 S -","- C24 H22 O4 S -","- C48 H44 O8 S2 -","2","1","","Denmark, Scott E.; Jaunet, Alex","Catalytic, enantioselective, intramolecular carbosulfenylation of olefins. Preparative and stereochemical aspects.","The Journal of organic chemistry","2014","79","1","140","171","10.1021/jo4023765","","","0.71073","MoKα","","0.0434","0.0358","","","0.0798","0.0847","","","","","","1.049","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029088","16.6637","0.0006","9.1966","0.0005","16.8975","0.0007","90","","109.839","0.003","90","","2435.84","0.19","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H30 N3 P Se -","- C28 H30 N3 P Se -","- C112 H120 N12 P4 Se4 -","4","2","","Denmark, Scott E.; Jaunet, Alex","Catalytic, enantioselective, intramolecular carbosulfenylation of olefins. Preparative and stereochemical aspects.","The Journal of organic chemistry","2014","79","1","140","171","10.1021/jo4023765","","","1.54178","CuKα","","0.0618","0.052","","","0.1265","0.1359","","","","","","1.027","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029089","9.1862","0.0003","11.9442","0.0005","14.8114","0.0005","106.527","0.002","97.798","0.002","110.162","0.002","1412.33","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 Cl3 N7 -","- C30 H24 Cl3 N7 -","- C60 H48 Cl6 N14 -","2","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.0855","0.053","","","0.1265","0.1377","","","","","","1.294","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029090","10.9767","0.0004","11.446","0.0006","16.613","0.0008","94.177","0.002","93.6006","0.0013","106.993","0.002","1983.06","0.16","100","","100","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C38 H34 Cl2 N8 -","- C38 H34 Cl2 N8 -","- C76 H68 Cl4 N16 -","2","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.2196","0.1941","","","0.4771","0.4847","","","","","","3.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029091","9.8523","0.0003","28.518","0.0011","13.247","0.0005","90","","111.422","0.002","90","","3464.9","0.2","100","","100","","","","","","","","LOC ETH Zurich","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 N6 -","- C38 H46 N6 -","- C152 H184 N24 -","4","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.0975","0.06","","","0.1525","0.18","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029092","7.461","0.002","9.4563","0.0013","22.633","0.004","77.902","0.005","87.007","0.007","74.91","0.02","1507.5","0.5","123","","123","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C36 H24 N6 O3 -","- C36 H24 N6 O3 -","- C72 H48 N12 O6 -","2","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.2452","0.1179","","","0.2447","0.3184","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029093","11.2869","0.0008","11.7092","0.0008","7.9701","0.0005","90","","95.891","0.003","90","","1047.77","0.12","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C25 H19 N5 O -","- C25 H19 N5 O -","- C50 H38 N10 O2 -","2","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.0672","0.0542","","","0.1663","0.1791","","","","","","1.34","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029094","12.9058","0.0013","7.5529","0.0007","12.7458","0.001","90","","118.198","0.003","90","","1094.96","0.18","123","","123","","","","","","","","LOC ETH Zurich","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N6 -","- C26 H22 N6 -","- C52 H44 N12 -","2","0.5","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.151","0.067","","","0.1534","0.1978","","","","","","0.891","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029095","8.993","0.0008","9.8212","0.0009","15.1041","0.0014","94.013","0.005","96.665","0.004","109.521","0.004","1240.4","0.2","100","2","99.98","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H23 N7 -","- C29 H23 N7 -","- C58 H46 N14 -","2","1","","Jayamurugan, Govindasamy; Finke, Aaron D.; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Diederich, François","One-pot access to push-pull oligoenes by sequential [2 + 2] cycloaddition-retroelectrocyclization reactions.","The Journal of organic chemistry","2014","79","1","426","431","10.1021/jo402440m","","","0.71073","MoKα","","0.1784","0.0725","","","0.1561","0.2001","","","","","","0.961","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029096","12.0184","0.0009","17.4168","0.0012","12.3712","0.0009","90","","118.678","0.003","90","","2271.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N6 O5 -","- C24 H20 N6 O5 -","- C96 H80 N24 O20 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.063","0.0434","","","0.1041","0.1148","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029097","19.8575","0.0009","7.0316","0.0003","27.9026","0.0013","90","","90","","90","","3896","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","072-1","","","- C24 H14 N4 O4 -","- C24 H14 N4 O4 -","- C192 H112 N32 O32 -","8","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.074","0.0475","","","0.1008","0.112","","","","","","1.033","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029098","6.3351","0.0004","10.3758","0.0007","22.9687","0.0017","90","","90","","90","","1509.77","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","064-1","","","- C18 H10 Br N3 O2 -","- C18 H10 Br N3 O2 -","- C72 H40 Br4 N12 O8 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.086","0.0464","","","0.0765","0.0859","","","","","","0.982","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029099","7.767","0.0005","10.3455","0.0007","17.8038","0.0013","90","","94.103","0.003","90","","1426.93","0.17","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.048","0.0405","","","0.1009","0.1054","","","","","","1.065","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029100","6.1413","0.0002","8.6786","0.0003","14.2186","0.0006","84.699","0.002","83.15","0.002","74.522","0.002","723.67","0.05","150","2","150","2","","","","","","","","4","P 1","P 1","1","Nitro DHA 056","","","- C18 H11 N3 O2 -","- C18 H11 N3 O2 -","- C36 H22 N6 O4 -","2","2","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.0341","0.0316","","","0.0783","0.0797","","","","","","1.04","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029101","17.7097","0.0009","8.559","0.0004","13.1023","0.0006","90","","90","","90","","1986.01","0.16","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","055-fl","","","- C25 H19 N3 O2 -","- C25 H19 N3 O2 -","- C100 H76 N12 O8 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.027","0.0255","","","0.0664","0.0673","","","","","","1.082","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029102","9.3037","0.0008","19.5952","0.0015","8.1866","0.0006","90","","101.163","0.003","90","","1464.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","076 EtOH","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C76 H56 N8 O4 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.0506","0.0366","","","0.0818","0.0886","","","","","","1.033","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029103","9.1627","0.0004","25.9283","0.0011","13.6312","0.0006","90","","99.865","0.003","90","","3190.5","0.2","200","2","200","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C74 H92 -","- C74 H92 -","- C148 H184 -","2","0.5","","Wu, Tien-Lin; Chou, Ho-Hsiu; Huang, Pei-Yun; Cheng, Chien-Hong; Liu, Rai-Shung","3,6,9,12-Tetrasubstituted chrysenes: synthesis, photophysical properties, and application as blue fluorescent OLED.","The Journal of organic chemistry","2014","79","1","267","274","10.1021/jo402429q","","","0.71073","MoKα","","0.1645","0.0862","","","0.2073","0.2511","","","","","","1.047","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029104","9.1016","0.0014","16.768","0.003","10.7755","0.0016","90","","99.52","0.002","90","","1621.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 F3 N3 O3 -","- C15 H14 F3 N3 O3 -","- C60 H56 F12 N12 O12 -","4","1","","Li, Tian-Ren; Duan, Shu-Wen; Ding, Wei; Liu, Yi-Yin; Chen, Jia-Rong; Lu, Liang-Qiu; Xiao, Wen-Jing","Synthesis of CF3-Containing 3,3'-Cyclopropyl Spirooxindoles by Sequential [3 + 2] Cycloaddition/Ring Contraction of Ylideneoxindoles with 2,2,2-Trifluorodiazoethane.","The Journal of organic chemistry","2014","79","5","2296","2302","10.1021/jo500019a","","","0.71073","MoKα","","0.047","0.0372","","","0.111","0.1222","","","","","","1.033","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029105","6.9009","0.0017","10.396","0.003","11.162","0.003","104.995","0.004","102.974","0.004","93.465","0.004","747.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 F3 N O4 -","- C16 H16 F3 N O4 -","- C32 H32 F6 N2 O8 -","2","1","","Li, Tian-Ren; Duan, Shu-Wen; Ding, Wei; Liu, Yi-Yin; Chen, Jia-Rong; Lu, Liang-Qiu; Xiao, Wen-Jing","Synthesis of CF3-Containing 3,3'-Cyclopropyl Spirooxindoles by Sequential [3 + 2] Cycloaddition/Ring Contraction of Ylideneoxindoles with 2,2,2-Trifluorodiazoethane.","The Journal of organic chemistry","2014","79","5","2296","2302","10.1021/jo500019a","","","0.71073","MoKα","","0.061","0.0505","","","0.1463","0.1797","","","","","","1.091","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029106","3.8649","0.0002","11.0897","0.0005","26.1706","0.0017","90","","90","","90","","1121.69","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 Br2 Cl N2 -","- C11 H7 Br2 Cl N2 -","- C44 H28 Br8 Cl4 N8 -","4","1","","Vamos, Mitchell; Cosford, Nicholas D. P.","2-Aminopyridines via Reaction of Pyridine N-Oxides and Activated Isocyanides.","The Journal of organic chemistry","2014","79","5","2274","2280","10.1021/jo402693s","","","0.71073","MoKα","","0.0196","0.0178","","","0.0399","0.0406","","","","","","1.069","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029107","20.5273","0.0016","8.8396","0.0007","12.1294","0.0008","90","","102.349","0.004","90","","2150","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl N2 O -","- C12 H9 Cl N2 O -","- C96 H72 Cl8 N16 O8 -","8","2","","Vamos, Mitchell; Cosford, Nicholas D. P.","2-Aminopyridines via Reaction of Pyridine N-Oxides and Activated Isocyanides.","The Journal of organic chemistry","2014","79","5","2274","2280","10.1021/jo402693s","","","0.71073","MoKα","","0.0446","0.0321","","","0.0777","0.0847","","","","","","1.046","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029108","8.125","0.003","10.053","0.004","10.461","0.004","87.508","0.008","74.901","0.008","69.292","0.01","770.5","0.5","293","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N5 O6 -","- C13 H19 N5 O6 -","- C26 H38 N10 O12 -","2","1","","Nakaike, Yumi; Nishiwaki, Nagatoshi; Ariga, Masahiro; Tobe, Yoshito","Synthesis of 4-Substituted 3,5-Dinitro-1,4-dihydropyridines by the Self-Condensation of β-Formyl-β-nitroenamine.","The Journal of organic chemistry","2014","79","5","2163","2169","10.1021/jo5000187","","","0.71075","MoKα","","0.0413","0.0374","","","0.1021","0.1052","","","","","","1.07","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029109","10.607","0.0003","12.554","0.0003","19.315","0.0007","90","","90","","90","","2571.99","0.13","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C12 H24 O4 -","- C12 H22 O4 -","- C96 H176 O32 -","8","1","","Miquet, Stéphanie; Brémond, Paul; Ayela, Benjamin; Marque, Sylvain R. A.; Audran, Gérard","Revised structure, total synthesis, and absolute configuration of kopeolin and kopeolone.","The Journal of organic chemistry","2014","79","5","2268","2273","10.1021/jo402572b","","","0.71073","MoKα","","0.0464","0.0453","","","0.1437","0.1456","","","","","","1.202","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029110","6.4284","0.0009","14.765","0.002","19.116","0.003","90","","90","","90","","1814.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 S2 Si2 -","- C14 H22 S2 Si2 -","- C56 H88 S8 Si8 -","4","1","","Wang, Yong; Song, Jinsheng; Xu, Li; Kan, Yuhe; Shi, Jianwu; Wang, Hua","Synthesis and characterization of cyclooctatetrathiophenes with different connection sequences.","The Journal of organic chemistry","2014","79","5","2255","2262","10.1021/jo500278d","","","0.71073","MoKα","","0.0359","0.0309","","","0.0794","0.083","","","","","","1.041","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029111","10.31","0.003","12.9","0.004","27.078","0.008","90","","94.648","0.007","90","","3589.5","1.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 S4 Si4 -","- C28 H40 S4 Si4 -","- C112 H160 S16 Si16 -","4","1","","Wang, Yong; Song, Jinsheng; Xu, Li; Kan, Yuhe; Shi, Jianwu; Wang, Hua","Synthesis and characterization of cyclooctatetrathiophenes with different connection sequences.","The Journal of organic chemistry","2014","79","5","2255","2262","10.1021/jo500278d","","","0.71073","MoKα","","0.095","0.0588","","","0.1711","0.1873","","","","","","1.1","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029112","12.877","0.002","17.258","0.003","18.33","0.004","90","","90","","90","","4073.5","1.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H83 Cl3 O S8 Si8 -","- C57 H81 Cl3 O S8 Si8 -","- C114 H162 Cl6 O2 S16 Si16 -","2","0.5","","Wang, Yong; Song, Jinsheng; Xu, Li; Kan, Yuhe; Shi, Jianwu; Wang, Hua","Synthesis and characterization of cyclooctatetrathiophenes with different connection sequences.","The Journal of organic chemistry","2014","79","5","2255","2262","10.1021/jo500278d","","","0.71073","MoKα","","0.1016","0.0854","","","0.2258","0.2429","","","","","","1.017","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029113","12.883","0.001","12.901","0.001","13.998","0.0011","113.895","0.001","109.77","0.001","93.747","0.001","1945.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 O S4 Si4 -","- C28 H40 O0.99 S4 Si4 -","- C56 H80 O1.98 S8 Si8 -","2","1","","Wang, Yong; Song, Jinsheng; Xu, Li; Kan, Yuhe; Shi, Jianwu; Wang, Hua","Synthesis and characterization of cyclooctatetrathiophenes with different connection sequences.","The Journal of organic chemistry","2014","79","5","2255","2262","10.1021/jo500278d","","","0.71073","MoKα","","0.1201","0.0873","","","0.2557","0.2804","","","","","","1.077","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029114","9.8848","0.0019","10.654","0.002","19.076","0.004","90","","103.334","0.004","90","","1954.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O5 -","- C24 H18 N2 O5 -","- C96 H72 N8 O20 -","4","1","","Gai, Sinan; Zhang, Qing; Hu, Xiangdong","Total synthesis of asterredione.","The Journal of organic chemistry","2014","79","5","2111","2114","10.1021/jo4028177","","","0.71073","MoKα","","0.1368","0.0576","","","0.0984","0.1263","","","","","","1.003","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029115","22.236","0.005","11.456","0.003","8.0141","0.0017","90","","95.857","0.003","90","","2030.8","0.8","294","2","294","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H24 F N O4 S -","- C21 H24 F N O4 S -","- C84 H96 F4 N4 O16 S4 -","4","1","","Subba Reddy, B. V.; Medaboina, Durgaprasad; Sridhar, B.; Singarapu, Kiran Kumar","Prins Cascade Cyclization for the Synthesis of 1,9-Dioxa-4-azaspiro[5.5]undecane Derivatives.","The Journal of organic chemistry","2014","79","5","2289","2295","10.1021/jo4027534","","","0.71073","MoKα","","0.0801","0.065","","","0.1642","0.1761","","","","","","1.073","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029116","12.781","0.005","14.374","0.005","14.946","0.007","90","","107.124","0.013","90","","2624.1","1.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N2 O8 -","- C27 H32 N2 O8 -","- C108 H128 N8 O32 -","4","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5419","CuKα","","0.0367","0.0353","","","0.0944","0.096","","","","","","1.041","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029117","7.79","0.001","14.768","0.001","21.795","0.002","90","","91.934","0.006","90","","2505.9","0.4","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N3 O9 -","- C25 H29 N3 O9 -","- C100 H116 N12 O36 -","4","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54178","CuKα","","0.0787","0.0593","","","0.133","0.1379","","","","","","1.014","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029118","12.563","0.0008","21.5829","0.0013","9.2102","0.0006","90","","106.995","0.005","90","","2388.3","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Cl N2 O6 -","- C24 H31 Cl N2 O6 -","- C96 H124 Cl4 N8 O24 -","4","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5418","CuKα","","0.0634","0.0587","","","0.14","0.1421","","","","","","1.008","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029119","13.49","0.003","14.415","0.003","16.347","0.003","69.791","0.015","84.884","0.016","88.811","0.014","2971.1","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N2 O6 S -","- C31 H34 N2 O6 S -","- C124 H136 N8 O24 S4 -","4","2","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54178","CuKα","","0.1041","0.081","","","0.2167","0.2331","","","","","","1.093","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029120","9.426","0.006","11.63","0.004","12.474","0.005","80.31","0.03","83.65","0.06","81.13","0.05","1326.8","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cl3 N2 O6 -","- C25 H29 Cl3 N2 O6 -","- C50 H58 Cl6 N4 O12 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54187","CuKα","","0.0553","0.05","","","0.1296","0.1346","","","","","","1.017","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029121","8.005","","14.308","","20.389","","84.31","","85.91","","83.79","","2305.78","","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H61 N4 O12.5 -","- C48 H61.2 N4 O12.6 -","- C96 H122.4 N8 O25.2 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54187","CuKα","","0.0476","0.0381","","","0.1042","0.1085","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029122","9.393","0.002","11.183","0.003","14.185","0.002","75.57","0.03","71.46","0.04","80.53","0.04","1362.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cl3 N2 O6 -","- C25 H29 Cl3 N2 O6 -","- C50 H58 Cl6 N4 O12 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5419","CuKα","","0.0553","0.0497","","","0.1416","0.1485","","","","","","1.054","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029123","9.505","0.005","10.865","0.005","12.959","0.006","112.6","0.03","99.94","0.04","95.09","0.04","1199.2","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Br N2 O6 -","- C25 H29 Br N2 O6 -","- C50 H58 Br2 N4 O12 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54178","CuKα","","0.1552","0.1141","","","0.2167","0.2423","","","","","","1.051","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029124","10.0459","0.0009","10.3718","0.0009","12.8237","0.0011","96.672","0.006","91.767","0.007","101.295","0.006","1299.4","0.2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N5 O6 -","- C25 H29 N5 O6 -","- C50 H58 N10 O12 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.54178","CuKα","","0.0721","0.0673","","","0.1535","0.1569","","","","","","1.055","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029125","5.764","0.005","11.669","0.01","21.43","0.019","90.02","0.02","95.25","0.03","97.5","0.05","1423","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Cl3 N3 O7 -","- C25 H32 Cl3 N3 O7 -","- C50 H64 Cl6 N6 O14 -","2","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5419","CuKα","","0.0706","0.064","","","0.1731","0.18","","","","","","1.034","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029126","18.056","0.007","20.067","0.009","29.141","0.009","90","","103.002","0.008","90","","10288","7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104.21 H128.41 Cl0.41 N12 O22 -","- C104.205 H128.41 Cl0.41 N12 O22 -","- C416.82 H513.64 Cl1.64 N48 O88 -","4","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5419","CuKα","","0.1055","0.072","","","0.1794","0.1934","","","","","","1.038","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029127","14.965","0.003","9.4631","0.0016","19.478","0.004","90","","92.257","0.007","90","","2756.2","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Br Cl3 N2 O6 -","- C25 H28 Br Cl3 N2 O6 -","- C100 H112 Br4 Cl12 N8 O24 -","4","1","","Singleton, Michael L.; Castellucci, Nicola; Massip, Stéphane; Kauffmann, Brice; Ferrand, Yann; Huc, Ivan","Synthesis of 1,8-diazaanthracenes as building blocks for internally functionalized aromatic oligoamide foldamers.","The Journal of organic chemistry","2014","79","5","2115","2122","10.1021/jo402852m","","","1.5419","CuKα","","0.0566","0.0527","","","0.1362","0.1419","","","","","","1.055","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029128","8.6054","0.0015","10.8438","0.0019","12.533","0.002","109.706","0.003","96.255","0.004","91.632","0.004","1091.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 F3 O3 -","- C24 H23 F3 O3 -","- C48 H46 F6 O6 -","2","1","","Chong, Qinglei; Xin, Xiaoyi; Wang, Chunxiang; Wu, Fan; Wang, Haolong; Shi, Ji-Cheng; Wan, Boshun","DABCO-Catalyzed Synthesis of Trifluoromethylated Furans from Propargyl Alcohols and Methyl 2-Perfluoroalkynoate.","The Journal of organic chemistry","2014","79","5","2105","2110","10.1021/jo4028424","","","0.71073","MoKα","","0.0998","0.0697","","","0.1893","0.2181","","","","","","1.011","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029129","13.942","0.003","14.382","0.003","15.52","0.003","68.08","0.03","71.71","0.03","71.78","0.03","2672.8","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H20 Cl9 N O9 -","- C73 H20 Cl9 N O9 -","- C146 H40 Cl18 N2 O18 -","2","1","","Yu, Yuming; Xu, Liang; Huang, Xincheng; Gan, Liangbing","Near-Infrared Absorbing Compounds Based on π-Extended Tetrathiafulvalene Open-Cage Fullerenes.","The Journal of organic chemistry","2014","79","5","2156","2162","10.1021/jo5000048","","","0.71073","MoKα","","0.1821","0.1397","","","0.3273","0.3451","","","","","","1.761","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029130","13.809","0.004","14.082","0.004","16.063","0.005","100.669","0.003","106.061","0.002","107.353","0.003","2740.4","1.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C166 H54 Cl8 N10 O6 -","- C166 H54 Cl8 N10 O6 -","- C166 H54 Cl8 N10 O6 -","1","0.5","","Yu, Yuming; Xu, Liang; Huang, Xincheng; Gan, Liangbing","Near-Infrared Absorbing Compounds Based on π-Extended Tetrathiafulvalene Open-Cage Fullerenes.","The Journal of organic chemistry","2014","79","5","2156","2162","10.1021/jo5000048","","","0.71073","MoKα","","0.0795","0.0707","","","0.1793","0.186","","","","","","1.105","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029131","11.475","0.0005","19.3971","0.0016","9.409","0.0008","90","","102.287","0.005","90","","2046.3","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N4 S2 -","- C22 H18 N4 S2 -","- C88 H72 N16 S8 -","4","1","","Novakova, Veronika; Miletin, Miroslav; Filandrová, Tereza; Lenčo, Juraj; Růžička, Aleš; Zimcik, Petr","Role of steric hindrance in the newman-kwart rearrangement and in the synthesis and photophysical properties of arylsulfanyl tetrapyrazinoporphyrazines.","The Journal of organic chemistry","2014","79","5","2082","2093","10.1021/jo402791c","","","0.71073","MoKα","","0.0435","0.0328","","","0.0754","0.0847","","","","","","1.086","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029132","12.2601","0.0009","9.4289","0.0006","16.688","0.0004","90","","123.062","0.005","90","","1616.76","0.19","150","1","150","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C34 H42 N4 S2 -","- C34 H42 N4 S2 -","- C68 H84 N8 S4 -","2","0.5","","Novakova, Veronika; Miletin, Miroslav; Filandrová, Tereza; Lenčo, Juraj; Růžička, Aleš; Zimcik, Petr","Role of steric hindrance in the newman-kwart rearrangement and in the synthesis and photophysical properties of arylsulfanyl tetrapyrazinoporphyrazines.","The Journal of organic chemistry","2014","79","5","2082","2093","10.1021/jo402791c","","","0.71073","MoKα","","0.0376","0.0306","","","0.0775","0.0857","","","","","","1.073","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029133","11.346","0.0006","12.6179","0.0009","13.123","0.0008","90","","120.487","0.004","90","","1618.98","0.19","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 N4 S2 -","- C18 H10 N4 S2 -","- C72 H40 N16 S8 -","4","1","","Novakova, Veronika; Miletin, Miroslav; Filandrová, Tereza; Lenčo, Juraj; Růžička, Aleš; Zimcik, Petr","Role of steric hindrance in the newman-kwart rearrangement and in the synthesis and photophysical properties of arylsulfanyl tetrapyrazinoporphyrazines.","The Journal of organic chemistry","2014","79","5","2082","2093","10.1021/jo402791c","","","0.71073","MoKα","","0.0387","0.0313","","","0.0731","0.0793","","","","","","1.097","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029134","12.012","","28.901","","8.702","","90","","105.7","","90","","2908.27","","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H46 N4 S2 -","- C30 N4 S2 -","- C120 N16 S8 -","4","1","","Novakova, Veronika; Miletin, Miroslav; Filandrová, Tereza; Lenčo, Juraj; Růžička, Aleš; Zimcik, Petr","Role of steric hindrance in the newman-kwart rearrangement and in the synthesis and photophysical properties of arylsulfanyl tetrapyrazinoporphyrazines.","The Journal of organic chemistry","2014","79","5","2082","2093","10.1021/jo402791c","","","0.71073","MoKα","","0.0664","0.0547","","","0.1514","0.1638","","","","","","1.227","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029135","22.783","0.003","22.783","0.003","5.7864","0.0011","90","","90","","90","","3003.5","0.8","150","2","150","2","","","","","","","","4","I -4","I -4","82","","","","- C19 H19 N2 O1.5 -","- C19 H16 N2 -","- C152 H128 N16 -","8","1","","Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes.","The Journal of organic chemistry","2014","79","5","1954","1970","10.1021/jo402592z","","","0.71073","MoKα","","0.0699","0.0597","","","0.1485","0.1522","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029136","10.826","0.004","16.541","0.007","17.451","0.007","90","","96.945","0.009","90","","3102","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F3 N2 -","- C19 H13 F3 N2 -","- C152 H104 F24 N16 -","8","2","","Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes.","The Journal of organic chemistry","2014","79","5","1954","1970","10.1021/jo402592z","","","0.71073","MoKα","","0.0991","0.0511","","","0.0896","0.1027","","","","","","0.877","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029137","8.548","0.002","9.543","0.002","19.894","0.005","88.27","0.005","81.218","0.006","82.774","0.005","1591","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 F3 N2 S -","- C16 H17 F3 N2 S -","- C64 H68 F12 N8 S4 -","4","2","","Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes.","The Journal of organic chemistry","2014","79","5","1954","1970","10.1021/jo402592z","","","0.71073","MoKα","","0.1188","0.0645","","","0.1217","0.1436","","","","","","0.896","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029138","9.5265","0.0015","9.5816","0.0015","12.88","0.002","70.575","0.003","70.337","0.004","84.964","0.003","1043.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 F3 N3 -","- C26 H18 F3 N3 -","- C52 H36 F6 N6 -","2","1","","Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes.","The Journal of organic chemistry","2014","79","5","1954","1970","10.1021/jo402592z","","","0.71073","MoKα","","0.1219","0.0723","","","0.153","0.178","","","","","","0.896","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029139","16.927","0.016","4.693","0.005","21.28","0.02","90","","110.54","0.02","90","","1583","3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 F3 N2 -","- C18 H19 F3 N2 -","- C72 H76 F12 N8 -","4","1","","Algarra, Andrés G; Cross, Warren B.; Davies, David L.; Khamker, Qudsia; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-h functionalization of pyrazoles with alkynes.","The Journal of organic chemistry","2014","79","5","1954","1970","10.1021/jo402592z","","","0.71073","MoKα","","0.2318","0.0722","","","0.1216","0.1655","","","","","","0.782","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029140","13.0853","0.0013","11.4562","0.0012","20.7283","0.0019","90","","90","","90","","3107.3","0.5","170","2","170","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H24 N4 O3 -","- C15 H24 N4 O3 -","- C120 H192 N32 O24 -","8","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.1347","0.049","","","0.0706","0.0847","","","","","","0.842","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029141","13.4633","0.0018","13.1738","0.0015","10.3885","0.0014","90","","94.933","0.011","90","","1835.7","0.4","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N5 O3 -","- C19 H25 N5 O3 -","- C76 H100 N20 O12 -","4","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.2508","0.065","","","0.0685","0.1086","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029142","8.0687","0.0005","16.6793","0.001","20.4007","0.0011","90","","90","","90","","2745.5","0.3","170","2","170","2","","","100","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H24 N4 O2 -","- C14 H24 N4 O2 -","- C112 H192 N32 O16 -","8","2","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","","0.71073","MoKα","","0.0755","0.0555","","","0.1346","0.143","","","","","","1.07","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029143","8.0687","0.0005","16.6793","0.001","20.4007","0.0011","90","","90","","90","","2745.5","0.3","170","2","170","2","","","100","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H24 N4 O2 -","- C14 H24 N4 O2 -","- C112 H192 N32 O16 -","8","2","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.0756","0.0556","","","0.1356","0.1441","","","","","","1.074","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029144","19.9358","0.0019","8.2953","0.0006","14.579","0.0014","90","","106.925","0.011","90","","2306.6","0.4","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H37 Br N4 O5 -","- C21 H37 Br N4 O5 -","- C84 H148 Br4 N16 O20 -","4","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.056","0.0394","","","0.0661","0.0711","","","","","","0.909","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029145","7.0723","0.0002","9.7167","0.0003","30.2173","0.0012","90","","97.09","0.004","90","","2060.64","0.12","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 Br N4 O2 -","- C19 H33 Br N4 O2 -","- C76 H132 Br4 N16 O8 -","4","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.0659","0.033","","","0.0596","0.063","","","","","","0.858","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4029146","8.5713","0.0006","16.2981","0.0009","10.6625","0.0008","90","","104.402","0.008","90","","1442.7","0.18","170","2","170","2","","","100","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H44 Br2 N4 O3 -","- C28 H44 Br2 N4 O3 -","- C56 H88 Br4 N8 O6 -","2","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.0473","0.0355","","","0.059","0.0616","","","","","","0.905","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029147","8.9495","0.0016","13.606","0.002","25.842","0.005","77.317","0.015","82.748","0.014","89.651","0.014","3044.6","0.9","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 Cl2 Cu N4 O9 -","- C26 H38 Cl2 Cu N4 O9 -","- C104 H152 Cl8 Cu4 N16 O36 -","4","2","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.3102","0.0886","","","0.1355","0.2101","","","","","","0.853","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029148","13.3503","0.0014","14.8457","0.0014","15.8604","0.0014","92.71","0.007","94.643","0.008","110.551","0.009","2924.1","0.5","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H78 Br2 Cl2 Cu2 N8 O11 -","- C52 H78 Br2 Cl2 Cu2 N8 O11 -","- C104 H156 Br4 Cl4 Cu4 N16 O22 -","2","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.1745","0.0853","","","0.2167","0.248","","","","","","0.882","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029149","8.6196","0.0008","30.658","0.002","8.3348","0.0009","90","","118.123","0.013","90","","1942.5","0.4","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl2 Cu N4 O9 -","- C12 H28 Cl2 Cu N4 O9 -","- C48 H112 Cl8 Cu4 N16 O36 -","4","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.0749","0.0468","","","0.0987","0.1068","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4029150","13.0582","0.0009","10.94","0.0007","20.2904","0.0013","90","","91.285","0.006","90","","2897.9","0.3","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Br Cl Cu N4 O5 -","- C28 H42 Br Cl Cu N4 O5 -","- C112 H168 Br4 Cl4 Cu4 N16 O20 -","4","1","","Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël","Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues.","The Journal of organic chemistry","2014","79","5","1885","1899","10.1021/jo4028566","","x-ray","0.71073","MoKα","","0.2068","0.0802","","","0.1071","0.1445","","","","","","1.008","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029151","17.4301","0.0008","16.1897","0.0006","6.7149","0.0003","90","","112.144","0.005","90","","1755.1","0.14","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","","Mahendar, Lodi; Satyanarayana, Gedu","Substitution Controlled Functionalization of ortho-Bromobenzylic Alcohols via Palladium Catalysis: Synthesis of Chromenes and Indenols.","The Journal of organic chemistry","2014","79","5","2059","2074","10.1021/jo402763m","","","1.54184","CuKα","","0.0521","0.047","","","0.1194","0.1347","","","","","","0.953","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029152","9.4414","0.0008","11.806","0.001","13.625","0.0018","111.028","0.002","109.779","0.002","96.138","0.001","1288.1","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 Br2 O4 -","- C32 H22 Br2 O4 -","- C64 H44 Br4 O8 -","2","1","","Tong, Yuan-Feng; Mao, Jian-Hui; Wu, Song; Zhao, Yuan; Cheng, Ying","Changing the Reaction Pathway by NHC/Brønsted Base Cooperative Catalysis: Highly Stereoselective Synthesis of Multifunctional Benzo[a]fluoren-11-ones from the Dimerization of 2-(Aroylvinyl)arylaldehydes.","The Journal of organic chemistry","2014","79","5","2075","2081","10.1021/jo4027758","","","0.71073","MoKα","","0.0317","0.026","","","0.06","0.0623","","","","","","1.034","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029153","33.16","0.004","9.213","0.0013","15.474","0.002","90","","97.427","0.002","90","","4687.7","1.1","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 O4 -","- C32 H24 O4 -","- C256 H192 O32 -","8","1","","Tong, Yuan-Feng; Mao, Jian-Hui; Wu, Song; Zhao, Yuan; Cheng, Ying","Changing the Reaction Pathway by NHC/Brønsted Base Cooperative Catalysis: Highly Stereoselective Synthesis of Multifunctional Benzo[a]fluoren-11-ones from the Dimerization of 2-(Aroylvinyl)arylaldehydes.","The Journal of organic chemistry","2014","79","5","2075","2081","10.1021/jo4027758","","","0.71073","MoKα","","0.0648","0.0448","","","0.0967","0.1058","","","","","","1.035","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029154","21.074","0.003","21.074","0.003","4.5777","0.0009","90","","90","","90","","2033","0.6","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H18 Cl F N12 -","- C20 H18 Cl F N12 -","- C80 H72 Cl4 F4 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.085","0.0799","","","0.1595","0.1657","","","","","","1.177","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029155","13.0408","0.0018","13.0408","0.0018","13.176","0.003","90","","90","","90","","2240.7","0.7","173","2","173","2","","","","","","","","4","P 42/n b c :2","-P 4ac 2b","133","","","","- C20 H16 Cl4 N12 -","- C20 H16 Cl4 N12 -","- C80 H64 Cl16 N48 -","4","0.25","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.041","0.0408","","","0.0939","0.094","","","","","","1.323","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029156","21.1267","0.0013","21.1267","0.0013","4.6047","0.0003","90","","90","","90","","2055.3","0.2","173","2","173","2","","","","","","","","5","P 41","P 4w","76","","","","- C20 H18 Cl F N12 -","- C20 H18 Cl F N12 -","- C80 H72 Cl4 F4 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.0994","0.0882","","","0.1973","0.2045","","","","","","1.119","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029157","11.881","0.002","10.039","0.002","17.273","0.004","90","","91.42","0.03","90","","2059.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl F N12 -","- C20 H18 Cl F N12 -","- C80 H72 Cl4 F4 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.0634","0.0548","","","0.1696","0.1946","","","","","","1.189","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029158","10.422","0.002","10.12","0.002","20.745","0.004","90","","98.89","0.03","90","","2161.7","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 N12 -","- C20 H18 Cl2 N12 -","- C80 H72 Cl8 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.0839","0.0764","","","0.2363","0.2564","","","","","","1.154","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029159","11.842","0.002","10.406","0.002","20.383","0.006","90","","123.8","0.02","90","","2087.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br F N12 -","- C20 H18 Br F N12 -","- C80 H72 Br4 F4 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.0514","0.0487","","","0.0996","0.1006","","","","","","1.245","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029160","17.041","0.005","9.345","0.003","19.211","0.006","90","","100.886","0.004","90","","3004.3","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 N O4 S2 -","- C37 H31 N O4 S2 -","- C148 H124 N4 O16 S8 -","4","1","","Li, Yang-Yang; Lu, Hai-Yan; Li, Meng; Li, Xiao-Jun; Chen, Chuan-Feng","Dihydroindeno[2,1-c]fluorene-Based Imide Dyes: Synthesis, Structures, Photophysical and Electrochemical Properties.","The Journal of organic chemistry","2014","79","5","2139","2147","10.1021/jo4028616","","","0.71073","MoKα","","0.1004","0.0793","","","0.1621","0.1741","","","","","","1.101","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029161","8.1755","0.0007","11.8379","0.001","17.2853","0.0014","90","","100.316","0.001","90","","1645.8","0.2","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo","Preparation of 3,5-disubstituted pyrazoles and isoxazoles from terminal alkynes, aldehydes, hydrazines, and hydroxylamine.","The Journal of organic chemistry","2014","79","5","2049","2058","10.1021/jo4027116","","","0.71073","MoKα","","0.088","0.0472","","","0.0943","0.109","","","","","","0.994","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029162","5.7192","0.0006","7.2557","0.0008","14.5967","0.0016","77.856","0.002","82.245","0.001","89.748","0.001","586.57","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C30 H20 Cl2 N2 O2 -","2","1","","Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo","Preparation of 3,5-disubstituted pyrazoles and isoxazoles from terminal alkynes, aldehydes, hydrazines, and hydroxylamine.","The Journal of organic chemistry","2014","79","5","2049","2058","10.1021/jo4027116","","","0.71073","MoKα","","0.072","0.0452","","","0.101","0.1278","","","","","","1.061","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029163","9.94","0.0006","17.2417","0.0011","8.54","0.0005","90","","114.337","0.001","90","","1333.55","0.14","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C68 H64 N8 -","4","1","","Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo","Preparation of 3,5-disubstituted pyrazoles and isoxazoles from terminal alkynes, aldehydes, hydrazines, and hydroxylamine.","The Journal of organic chemistry","2014","79","5","2049","2058","10.1021/jo4027116","","","0.71073","MoKα","","0.0564","0.0429","","","0.1056","0.1147","","","","","","1.046","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029164","12.8085","0.0004","15.4038","0.0005","28.8727","0.0012","84.217","0.003","82.467","0.003","87.202","0.003","5615","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H58 N12 O15 -","- C51 H58 N12 O15 -","- C204 H232 N48 O60 -","4","2","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1705","0.0762","","","0.2042","0.2479","","","","","","0.934","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029165","11.4144","0.0006","16.9099","0.0011","17.2091","0.0011","115.692","0.007","100.539","0.005","98.828","0.005","2839.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H118 N24 O34 S -","- C102 H118 N24 O34 S -","- C102 H118 N24 O34 S -","1","0.5","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1395","0.0838","","","0.2758","0.3383","","","","","","1.052","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029166","11.3397","0.001","18.6819","0.0017","18.769","0.0016","103.7","0.003","106.612","0.003","98.493","0.003","3601.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H79 N11 O19 S -","- C61 H79 N11 O19 S -","- C122 H158 N22 O38 S2 -","2","1","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1905","0.088","","","0.2338","0.2755","","","","","","0.99","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029167","17.3549","0.0009","17.3549","0.0009","22.6324","0.0012","90","","90","","120","","5903.4","0.5","298","2","298","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C90 H84 K2 N20 O51 P -","- C90 H84 K2.02 N20 O51 P -","- C180 H168 K4.04 N40 O102 P2 -","2","0.166667","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1706","0.0966","","","0.274","0.3437","","","","","","1.034","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029168","18.3034","0.0014","18.3034","0.0014","40.426","0.008","90","","90","","120","","11729","3","298","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C46 H42 N10 O15 -","- C46 H42 N10 O15 -","- C276 H252 N60 O90 -","6","0.333333","","Basu, Arghya; Das, Gopal","A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination.","The Journal of organic chemistry","2014","79","6","2647","2656","10.1021/jo500102e","","","0.71073","MoKα","","0.1723","0.0981","","","0.26","0.2882","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029169","6.054","0.0007","9.948","0.0014","20.427","0.003","90","","90","","90","","1230.2","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","1","","Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto","Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.","The Journal of organic chemistry","2014","79","6","2556","2563","10.1021/jo500015c","","","0.71073","MoKα","","0.1589","0.0913","","","0.1901","0.2263","","","","","","1.098","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029170","6.5512","0.0005","10.8875","0.0012","9.1118","0.0008","90","","105.048","0.005","90","","627.62","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C22 H34 N2 O12 -","2","1","","Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto","Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.","The Journal of organic chemistry","2014","79","6","2556","2563","10.1021/jo500015c","","","0.71073","MoKα","","0.0579","0.0421","","","0.0968","0.1035","","","","","","1.088","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029171","5.8457","0.0004","7.8597","0.0005","13.8602","0.0009","90","","96.64","0.004","90","","632.54","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C22 H34 N2 O12 -","2","1","","Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto","Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.","The Journal of organic chemistry","2014","79","6","2556","2563","10.1021/jo500015c","","","0.71073","MoKα","","0.0604","0.0436","","","0.1124","0.1263","","","","","","0.969","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029172","5.761","0.0002","15.919","0.0008","6.736","0.0003","90","","97.77","0.002","90","","612.08","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C22 H34 N2 O12 -","2","1","","Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto","Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.","The Journal of organic chemistry","2014","79","6","2556","2563","10.1021/jo500015c","","","0.71073","MoKα","","0.035","0.0315","","","0.0721","0.0749","","","","","","1.08","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029173","10.2844","0.001","10.4765","0.001","12.2306","0.0012","67.419","0.002","65.621","0.002","68.528","0.002","1073.99","0.18","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C48 H54 N2 O8 S2 -","2","1","","Matsuda, Takanori; Sakurai, Yusuke","Gold(I)-catalyzed ring-expanding spiroannulation of cyclopropenones with enynes.","The Journal of organic chemistry","2014","79","6","2739","2745","10.1021/jo500045n","","","0.71073","MoKα","","0.0587","0.0483","","","0.1509","0.1774","","","","","","0.661","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029174","7.8008","0.0002","20.418","0.0004","23.6928","0.0017","90","","90","","90","","3773.7","0.3","260","0.02","260","0.02","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H45 N O5 S2 -","- C39 H45 N O5 S2 -","- C156 H180 N4 O20 S8 -","4","1","","Padungros, Panuwat; Alberch, Laura; Wei, Alexander","Glycosyl Dithiocarbamates: β-Selective Couplings without Auxiliary Groups.","The Journal of organic chemistry","2014","79","6","2611","2624","10.1021/jo500032k","","","1.54184","CU-Kα","","0.066","0.039","","","0.084","0.111","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029175","12.898","0.007","8.464","0.004","15.905","0.008","90","","112.144","0.006","90","","1608.3","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Cl N2 O4 -","- C17 H17 Cl N2 O4 -","- C68 H68 Cl4 N8 O16 -","4","1","","Lima, Heather M.; Sivappa, Rasapalli; Yousufuddin, Muhammed; Lovely, Carl J.","Total synthesis of 7'-desmethylkealiiquinone, 4'-desmethoxykealiiquinone, and 2-deoxykealiiquinone.","The Journal of organic chemistry","2014","79","6","2481","2490","10.1021/jo4027337","","","0.71073","MoKα","","0.085","0.0552","","","0.1461","0.1594","","","","","","1.021","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029176","10.4466","0.0011","9.6937","0.001","14.9923","0.0016","90","","105.916","0.002","90","","1460","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3aS*,4R*,7aS*)-4-(2,5-Dimethoxyphenyl)hexahydro-2H-thieno[3,2-c]pyran","","- C15 H20 O3 S -","- C15 H20 O3 S -","- C60 H80 O12 S4 -","4","1","","Subba Reddy, B. V.; Venkateswarlu, A.; Borkar, Prashant; Yadav, J. S.; Sridhar, B.; Grée, René","Tuning the Reactivity of Oxygen/Sulfur by Acidity of the Catalyst in Prins Cyclization: Oxa- versus Thia-Selectivity.","The Journal of organic chemistry","2014","79","6","2716","2722","10.1021/jo402832t","","","0.71073","MoKα","","0.0451","0.0415","","","0.111","0.1145","","","","","","1.053","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029177","5.9223","0.0002","7.4335","0.0002","46.204","0.001","90","","90","","90","","2034.06","0.1","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 O7 P -","- C21 H27 O7 P -","- C84 H108 O28 P4 -","4","1","","Son, Se-Mi; Lee, Hyeon-Kyu","Dynamic Kinetic Resolution Based Asymmetric Transfer Hydrogenation of α-Alkoxy-β-Ketophosphonates. Diastereo- and Enantioselective Synthesis of Monoprotected 1,2-Dihydroxyphosphonates.","The Journal of organic chemistry","2014","79","6","2666","2681","10.1021/jo500148j","","","0.71073","MoKα","","0.0784","0.0563","","","0.095","0.1028","","","","","","1.112","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029178","9.8635","0.0005","9.864","","20.2533","0.0013","90","","90","","90","","1970.52","0.16","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N O6 P -","- C18 H26 N O6 P -","- C72 H104 N4 O24 P4 -","4","1","","Son, Se-Mi; Lee, Hyeon-Kyu","Dynamic Kinetic Resolution Based Asymmetric Transfer Hydrogenation of α-Alkoxy-β-Ketophosphonates. Diastereo- and Enantioselective Synthesis of Monoprotected 1,2-Dihydroxyphosphonates.","The Journal of organic chemistry","2014","79","6","2666","2681","10.1021/jo500148j","","","0.71073","MoKα","","0.0555","0.0412","","","0.0765","0.0809","","","","","","0.937","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029179","10.2658","0.0002","14.8585","0.0003","17.0388","0.0004","90","","100.905","0.0013","90","","2552.07","0.09","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H31 Cl F6 N2 O P -","- C24 H31 Cl F6 N2 O P -","- C96 H124 Cl4 F24 N8 O4 P4 -","4","2","","Takeda, Momotaro; Takatsu, Keishi; Shintani, Ryo; Hayashi, Tamio","Synthesis of quaternary carbon stereocenters by copper-catalyzed asymmetric allylic substitution of allyl phosphates with arylboronates.","The Journal of organic chemistry","2014","79","6","2354","2367","10.1021/jo500068p","","","1.54187","CuKα","","0.0966","0.0689","","","0.1706","0.1901","","","","","","1.095","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029180","7.5132","0.0004","12.001","0.0009","13.375","0.0009","78.084","0.006","79.26","0.005","73.336","0.006","1119.98","0.13","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H30 O4 -","- C28 H30 O4 -","- C56 H60 O8 -","2","1","","Pepper, Henry P.; Tulip, Stephen J.; Nakano, Yuji; George, Jonathan H.","Biomimetic total synthesis of (±)-doitunggarcinone a and (+)-garcibracteatone.","The Journal of organic chemistry","2014","79","6","2564","2573","10.1021/jo500027k","","","0.71073","MoKα","","0.0902","0.0576","","","0.1321","0.1522","","","","","","1.029","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029181","21.9005","0.0008","11.9505","0.0004","21.1324","0.0009","90","","104.066","0.004","90","","5365","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C33 H40 O4 -","- C33 H40 O4 -","- C264 H320 O32 -","8","1","","Pepper, Henry P.; Tulip, Stephen J.; Nakano, Yuji; George, Jonathan H.","Biomimetic total synthesis of (±)-doitunggarcinone a and (+)-garcibracteatone.","The Journal of organic chemistry","2014","79","6","2564","2573","10.1021/jo500027k","","","0.71073","MoKα","","0.0872","0.0524","","","0.1057","0.1234","","","","","","1.029","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029182","15.2492","0.0004","7.6175","0.0002","23.1871","0.0006","90","","91.092","0.002","90","","2692.94","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 O4 -","- C33 H40 O4 -","- C132 H160 O16 -","4","1","","Pepper, Henry P.; Tulip, Stephen J.; Nakano, Yuji; George, Jonathan H.","Biomimetic total synthesis of (±)-doitunggarcinone a and (+)-garcibracteatone.","The Journal of organic chemistry","2014","79","6","2564","2573","10.1021/jo500027k","","","0.71073","MoKα","","0.0789","0.051","","","0.1069","0.1224","","","","","","1.021","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029183","10.322","0.003","11.312","0.004","18.663","0.006","90","","90","","90","","2179.1","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Boc-Ala-S-)2","","","- C16 H28 N2 O6 S2 -","- C16 H28 N2 O6 S2 -","- C64 H112 N8 O24 S8 -","4","1","","Mali, Sachitanand M.; Gopi, Hosahudya N.","Thioacetic Acid/NaSH-Mediated Synthesis of N-Protected Amino Thioacids and Their Utility in Peptide Synthesis.","The Journal of organic chemistry","2014","79","6","2377","2383","10.1021/jo402872p","","","0.71073","MoKα","","0.1518","0.0684","","","0.117","0.1484","","","","","","0.943","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029184","23.375","0.011","9.575","0.004","10.58","0.005","90","","90","","90","","2368","1.9","100","2","100","2","","","","","","","synthesis","5","P c a 21","P 2c -2ac","29","(Boc-Aib-S)2","","","- C18 H32 N2 O6 S2 -","- C18 H32 N2 O6 S2 -","- C72 H128 N8 O24 S8 -","4","1","","Mali, Sachitanand M.; Gopi, Hosahudya N.","Thioacetic Acid/NaSH-Mediated Synthesis of N-Protected Amino Thioacids and Their Utility in Peptide Synthesis.","The Journal of organic chemistry","2014","79","6","2377","2383","10.1021/jo402872p","","x-ray","0.71073","MoKα","","0.0748","0.0386","","","0.068","0.0767","","","","","","0.766","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029185","8.3861","0.0014","8.3872","0.0014","9.008","0.0016","95.574","0.012","100.912","0.012","112.227","0.011","565.89","0.18","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Br N O -","- C12 H10 Br N O -","- C24 H20 Br2 N2 O2 -","2","1","","Lin, Mei-Huey; Huang, Yen-Chih; Kuo, Chung-Kai; Tsai, Chang-Hsien; Li, Yi-Syuan; Hu, Ting-Chia; Chuang, Tsung-Hsun","γ-Halo-enones: A Method for their Synthesis from Arylacyl Halides and Their Application to the Preparation of Five-Membered Ring Heterocycles.","The Journal of organic chemistry","2014","79","6","2751","2757","10.1021/jo5001274","","","0.71073","MoKα","","0.0551","0.0341","","","0.0769","0.0846","","","","","","1.007","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029186","10.463","0.003","12.044","0.004","10.74","0.004","90","","118.36","0.02","90","","1191","0.7","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl3 O -","- C11 H9 Cl3 O -","- C44 H36 Cl12 O4 -","4","1","","Lin, Mei-Huey; Huang, Yen-Chih; Kuo, Chung-Kai; Tsai, Chang-Hsien; Li, Yi-Syuan; Hu, Ting-Chia; Chuang, Tsung-Hsun","γ-Halo-enones: A Method for their Synthesis from Arylacyl Halides and Their Application to the Preparation of Five-Membered Ring Heterocycles.","The Journal of organic chemistry","2014","79","6","2751","2757","10.1021/jo5001274","","","0.71073","MoKα","","0.0753","0.0397","","","0.1241","0.1543","","","","","","0.89","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029187","12.237","0.004","12.745","0.004","17.157","0.006","79.464","0.006","89.857","0.006","65.497","0.005","2385.7","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H44 N4 O4.5 -","- C62 H44 N4 O4.5 -","- C124 H88 N8 O9 -","2","1","","Zhang, Chun; Wang, Zhen; Song, Song; Meng, Xianggao; Zheng, Yan-Song; Yang, Xiang-Liang; Xu, Hui-Bi","Tetraphenylethylene-based expanded oxacalixarene: synthesis, structure, and its supramolecular grid assemblies directed by guests in the solid state.","The Journal of organic chemistry","2014","79","6","2729","2732","10.1021/jo402884a","","","0.71073","MoKα","","0.1588","0.0615","","","0.1291","0.1738","","","","","","0.951","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029188","12.024","0.003","12.744","0.003","18.613","0.005","97.529","0.004","98.367","0.004","115.203","0.003","2493.1","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H46 N4 O4 -","- C66 H46 N4 O4 -","- C132 H92 N8 O8 -","2","1","","Zhang, Chun; Wang, Zhen; Song, Song; Meng, Xianggao; Zheng, Yan-Song; Yang, Xiang-Liang; Xu, Hui-Bi","Tetraphenylethylene-based expanded oxacalixarene: synthesis, structure, and its supramolecular grid assemblies directed by guests in the solid state.","The Journal of organic chemistry","2014","79","6","2729","2732","10.1021/jo402884a","","","0.71073","MoKα","","0.1294","0.0554","","","0.1236","0.1611","","","","","","0.971","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029189","14.469","0.002","5.222","0.0007","10.7063","0.0012","90","","91.703","0.005","90","","808.58","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","","Gutekunst, Will R.; Baran, Phil S.","Applications of C-h functionalization logic to cyclobutane synthesis.","The Journal of organic chemistry","2014","79","6","2430","2452","10.1021/jo4027148","","","0.71073","MoKα","","0.057","0.038","","","0.0807","0.0864","","","","","","1.123","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029190","14.882","0.004","15.8","0.004","25.597","0.007","74.962","0.003","85.165","0.003","66.031","0.003","5310","2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C101 H104 Cl6 N8 O18 Pd S4 Si2 -","- C101 H104 Cl6 N8 O18 Pd S4 Si2 -","- C202 H208 Cl12 N16 O36 Pd2 S8 Si4 -","2","1","","Gutekunst, Will R.; Baran, Phil S.","Applications of C-h functionalization logic to cyclobutane synthesis.","The Journal of organic chemistry","2014","79","6","2430","2452","10.1021/jo4027148","","x-ray","0.71073","MoKα","","0.1345","0.1189","","","0.2544","0.2628","","","","","","1.227","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029191","9.969","0.008","15.383","0.012","15.774","0.015","110.732","0.014","108.3","0.01","100.249","0.01","2031","3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H38 Cl2 N4 O5 S2 -","- C44 H36 N4 O5 S2 -","- C88 H72 N8 O10 S4 -","2","1","","Gutekunst, Will R.; Baran, Phil S.","Applications of C-h functionalization logic to cyclobutane synthesis.","The Journal of organic chemistry","2014","79","6","2430","2452","10.1021/jo4027148","","x-ray","0.71073","MoKα","","0.0633","0.0528","","","0.1608","0.1711","","","","","","1.02","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029192","12.7356","0.0011","27.212","0.002","15.5575","0.0012","90","","105.497","0.002","90","","5195.6","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H55 Cl2 N5 O9 S3 Si -","- C50 H55 Cl2 N5 O9 S3 Si -","- C200 H220 Cl8 N20 O36 S12 Si4 -","4","1","","Gutekunst, Will R.; Baran, Phil S.","Applications of C-h functionalization logic to cyclobutane synthesis.","The Journal of organic chemistry","2014","79","6","2430","2452","10.1021/jo4027148","","x-ray","0.71073","MoKα","K-L~3~","0.0638","0.0395","","","0.0874","0.0995","","","","","","1.018","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029193","6.364","0.0003","14.8688","0.0007","15.0929","0.0007","115.087","0.003","94.217","0.003","99.764","0.003","1257.67","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N2 O3 -","- C32 H28 N2 O3 -","- C64 H56 N4 O6 -","2","1","","Gutekunst, Will R.; Baran, Phil S.","Applications of C-h functionalization logic to cyclobutane synthesis.","The Journal of organic chemistry","2014","79","6","2430","2452","10.1021/jo4027148","","x-ray","1.54178","CuKα","K-L~3~","0.0567","0.0445","","","0.1126","0.1207","","","","","","1.069","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029194","22.7985","0.0006","5.4732","0.0001","25.1189","0.0005","90","","90.3016","0.0018","90","","3134.31","0.12","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 O3 -","- C22 H14 O3 -","- C176 H112 O24 -","8","1","","Nakanishi, Kentaro; Sasamori, Takahiro; Kuramochi, Kouji; Tokitoh, Norihiro; Kawabata, Takeo; Tsubaki, Kazunori","Synthesis and properties of butterfly-shaped expanded naphthofuran derivatives.","The Journal of organic chemistry","2014","79","6","2625","2631","10.1021/jo500085a","","","0.71075","MoKα","","0.0506","0.0467","","","0.1194","0.1226","","","","","","1.067","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029195","6.764","0.0011","10.571","0.0017","15.916","0.003","90","","93.658","0.002","90","","1135.7","0.3","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Suzuki, Takahiro; Okuyama, Hiroshi; Takano, Atsuhiro; Suzuki, Shinya; Shimizu, Isao; Kobayashi, Susumu","Synthesis of Dibarrelane, a Dibicyclo[2.2.2]octane Hydrocarbon.","The Journal of organic chemistry","2014","79","6","2803","2808","10.1021/jo5003455","","","0.71073","MoKα","","0.0671","0.0639","","","0.1699","0.1735","","","","","","1.045","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029196","7.2254","0.0004","20.6292","0.0012","11.4979","0.0007","90","","106.716","0.001","90","","1641.39","0.17","90","2","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.043","0.033","","","0.0878","0.0948","","","","","","1.032","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029197","9.7237","0.0011","18.257","0.002","19.364","0.002","90","","91.061","0.001","90","","3437","0.6","90","2","90","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","4","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.033","0.0306","","","0.0757","0.0775","","","","","","1.043","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029198","9.252","0.0006","19.5079","0.0012","10.9612","0.0007","90","","112.651","0.001","90","","1825.8","0.2","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C80 H92 N4 O16 S4 -","4","1","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.0259","0.0249","","","0.064","0.065","","","","","","1.056","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029199","12.3792","0.0004","13.7629","0.0004","14.2146","0.0004","61.678","0.001","87.308","0.001","82.561","0.001","2113.66","0.11","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.083 H20.166 Cl0.166 N2 O5 S -","- C21 H20 N2 O5 S -","- C84 H80 N8 O20 S4 -","4","2","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","1.54178","CuKα","","0.0499","0.0462","","","0.1223","0.1248","","","","","","1.043","","","","has coordinates,has disorder","178470","2020-10-21","18:00:00",""
"4029200","7.6276","0.0008","10.0615","0.001","13.8356","0.0014","87.1409","0.0013","80.4019","0.0014","85.7471","0.0013","1043.31","0.18","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 N O6 S -","- C22 H27 N O6 S -","- C44 H54 N2 O12 S2 -","2","1","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.0297","0.0284","","","0.0772","0.0783","","","","","","1.032","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029201","8.635","0.002","14.029","0.004","28.189","0.007","90","","90","","90","","3414.8","1.5","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","1","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.0339","0.0308","","","0.0804","0.083","","","","","","1.05","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029202","7.6123","0.0002","12.0814","0.0003","22.5696","0.0005","83.4051","0.0013","83.9689","0.0012","76.2855","0.0012","1996.62","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H40 N4 O8 -","- C47 H40 N4 O8 -","- C94 H80 N8 O16 -","2","1","","Kakeya, Kazuhisa; Aozasa, Masakatsu; Mizutani, Tadashi; Hitomi, Yutaka; Kodera, Masahito","Nucleophilic Ring Opening of meso-Substituted 5-Oxaporphyrin by Oxygen, Nitrogen, Sulfur, and Carbon Nucleophiles.","The Journal of organic chemistry","2014","79","6","2591","2600","10.1021/jo5000412","","","1.54187","CuK\/Ya","","0.0811","0.056","","","0.1482","0.1753","","","","","","1.093","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029204","10.5387","0.0004","12.2952","0.0006","13.308","0.0005","117.374","0.004","90.911","0.003","111.778","0.004","1385.17","0.13","295","","295","","","","","","","","","3","P -1","-P 1","2","kingianin precursor","","","- C34 H36 O6 -","- C34 H36 O6 -","- C68 H72 O12 -","2","1","","Lim, Hee Nam; Parker, Kathlyn A.","Intermolecular Radical Cation Diels-Alder (RCDA) Reaction of Bicyclooctadienes: Biomimetic Formal Total Synthesis of Kingianin A and Total Syntheses of Kingianins D, F, H, and J.","The Journal of organic chemistry","2014","79","3","919","","10.1021/jo402082y","","","1.5418","CuKα","","0.0535","0.0427","","","0.1145","0.1246","","","","","","1.03","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029205","8.8266","0.0015","15.669","0.003","16.195","0.003","105.691","0.0015","101.137","0.003","97.772","0.002","2073.7","0.7","127","","127","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H56 S3 Si8 -","- C26 H56 S3 Si8 -","- C52 H112 S6 Si16 -","2","1","","Inubushi, Hikaru; Hattori, Yohei; Yamanoi, Yoshinori; Nishihara, Hiroshi","Structures and Optical Properties of Tris(trimethylsilyl)silylated Oligothiophene Derivatives.","The Journal of organic chemistry","2014","79","7","2974","2979","10.1021/jo500029f","","","0.7107","MoKα","","","0.0312","","","","0.0865","","","","","","1.046","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029206","15.679","0.003","12.9928","0.0018","24.253","0.004","90","","102.693","0.0018","90","","4819.9","1.4","133","","133","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H62 S4 Si8 -","- C34 H62 S4 Si8 -","- C136 H248 S16 Si32 -","4","0.5","","Inubushi, Hikaru; Hattori, Yohei; Yamanoi, Yoshinori; Nishihara, Hiroshi","Structures and Optical Properties of Tris(trimethylsilyl)silylated Oligothiophene Derivatives.","The Journal of organic chemistry","2014","79","7","2974","2979","10.1021/jo500029f","","","0.7107","MoKα","","","0.0375","","","","0.0919","","","","","","1.05","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029207","8.7738","0.0018","9.091","0.002","14.938","0.004","86.627","0.011","76.94","0.009","61.217","0.007","1015.5","0.4","133","","133","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H58 S2 Si8 -","- C26 H58 S2 Si8 -","- C26 H58 S2 Si8 -","1","0.5","","Inubushi, Hikaru; Hattori, Yohei; Yamanoi, Yoshinori; Nishihara, Hiroshi","Structures and Optical Properties of Tris(trimethylsilyl)silylated Oligothiophene Derivatives.","The Journal of organic chemistry","2014","79","7","2974","2979","10.1021/jo500029f","","","0.7107","MoKα","","","0.0325","","","","0.0832","","","","","","1.08","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029208","7.3954","0.0003","18.5356","0.0008","11.7063","0.0005","90","","98.174","0.002","90","","1588.38","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N2 O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Bhakuni, Bhagat Singh; Yadav, Abhimanyu; Kumar, Shailesh; Patel, Saket; Sharma, Shubham; Kumar, Sangit","KO(t)Bu-Mediated Synthesis of Dimethylisoindolin-1-ones and Dimethyl-5-phenylisoindolin-1-ones: Selective C-C Coupling of an Unreactive Tertiary sp(3) C-H Bond.","The Journal of organic chemistry","2014","79","7","2944","2954","10.1021/jo402776u","","","0.71073","MoKα","","0.0587","0.0471","","","0.1918","0.2173","","","","","","0.963","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029209","7.316","0.0003","19.1541","0.0007","9.9831","0.0003","90","","123.731","0.002","90","","1163.44","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O -","- C13 H17 N O -","- C52 H68 N4 O4 -","4","1","","Bhakuni, Bhagat Singh; Yadav, Abhimanyu; Kumar, Shailesh; Patel, Saket; Sharma, Shubham; Kumar, Sangit","KO(t)Bu-Mediated Synthesis of Dimethylisoindolin-1-ones and Dimethyl-5-phenylisoindolin-1-ones: Selective C-C Coupling of an Unreactive Tertiary sp(3) C-H Bond.","The Journal of organic chemistry","2014","79","7","2944","2954","10.1021/jo402776u","","","0.71073","MoKα","","0.1538","0.0735","","","0.1127","0.1167","","","","","","2.644","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029210","18.721","0.003","7.6048","0.0009","10.974","0.0014","90","","105.078","0.004","90","","1508.6","0.4","159","2","159","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Fe N O -","- C17 H21 Fe N O -","- C68 H84 Fe4 N4 O4 -","4","1","","Bhakuni, Bhagat Singh; Yadav, Abhimanyu; Kumar, Shailesh; Patel, Saket; Sharma, Shubham; Kumar, Sangit","KO(t)Bu-Mediated Synthesis of Dimethylisoindolin-1-ones and Dimethyl-5-phenylisoindolin-1-ones: Selective C-C Coupling of an Unreactive Tertiary sp(3) C-H Bond.","The Journal of organic chemistry","2014","79","7","2944","2954","10.1021/jo402776u","","","0.71073","MoKα","","0.0528","0.0473","","","0.124","0.13","","","","","","1.088","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4029211","13.008","0.0005","12.3345","0.0007","13.6514","0.0005","90","","101.532","0.003","90","","2146.11","0.17","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N3 -","- C29 H19 N3 -","- C116 H76 N12 -","4","1","","Gers, Charlotte F; Nordmann, Jan; Kumru, Ceyda; Frank, Walter; Müller, Thomas J J","Solvatochromic fluorescent 2-substituted 3-ethynyl quinoxalines: four-component synthesis, photophysical properties, and electronic structure.","The Journal of organic chemistry","2014","79","8","3296","3310","10.1021/jo4025978","","","0.71073","MoKα","","0.0543","0.0468","","","0.0908","0.0941","","","","","","0.997","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029212","12.344","0.0006","9.313","0.0005","18.3365","0.0009","90","","105.625","0.004","90","","2030.06","0.18","253","2","253","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 N4 -","- C27 H16 N4 -","- C108 H64 N16 -","4","1","","Gers, Charlotte F; Nordmann, Jan; Kumru, Ceyda; Frank, Walter; Müller, Thomas J J","Solvatochromic fluorescent 2-substituted 3-ethynyl quinoxalines: four-component synthesis, photophysical properties, and electronic structure.","The Journal of organic chemistry","2014","79","8","3296","3310","10.1021/jo4025978","","","0.71073","MoKα","","0.0449","0.0399","","","0.1034","0.1071","","","","","","1.019","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029213","14.727","0.0011","17.0452","0.0007","8.0627","0.0006","90","","104.659","0.008","90","","1958.1","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 O -","- C26 H19 N3 O -","- C104 H76 N12 O4 -","4","1","","Gers, Charlotte F; Nordmann, Jan; Kumru, Ceyda; Frank, Walter; Müller, Thomas J J","Solvatochromic fluorescent 2-substituted 3-ethynyl quinoxalines: four-component synthesis, photophysical properties, and electronic structure.","The Journal of organic chemistry","2014","79","8","3296","3310","10.1021/jo4025978","","","0.71073","MoKα","","0.0524","0.0342","","","0.0853","0.0907","","","","","","0.97","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029214","11.0463","0.0005","17.4093","0.0006","9.5507","0.0005","90","","110.929","0.004","90","","1715.5","0.14","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N2 O S -","- C21 H14 N2 O S -","- C84 H56 N8 O4 S4 -","4","1","","Gers, Charlotte F; Nordmann, Jan; Kumru, Ceyda; Frank, Walter; Müller, Thomas J J","Solvatochromic fluorescent 2-substituted 3-ethynyl quinoxalines: four-component synthesis, photophysical properties, and electronic structure.","The Journal of organic chemistry","2014","79","8","3296","3310","10.1021/jo4025978","","","0.71073","MoKα","","0.0616","0.0579","","","0.1606","0.1646","","","","","","1.167","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029215","7.8354","0.0002","16.7282","0.0005","17.0838","0.0005","90","","90","","90","","2239.21","0.11","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 N2 O5 -","- C28 H22 N2 O5 -","- C112 H88 N8 O20 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0388","0.0332","","0.0787","0.076","0.0787","","","","","","1.0277","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029216","10.3113","0.0001","15.9233","0.0002","17.7014","0.0003","90","","90","","90","","2906.39","0.07","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C128 H128 N16 O40 -","8","2","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0393","0.0339","","0.0801","0.0777","0.0801","","","","","","1.0123","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029217","13.798","0.004","9.8024","0.0018","21.099","0.006","90","","107.461","0.008","90","","2722.2","1.2","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N3 O11 -","- C27 H31 N3 O11 -","- C108 H124 N12 O44 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.1367","0.071","","0.1971","0.1485","0.1971","","","","","","1.027","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029218","13.1092","0.0003","7.6887","0.0001","22.7914","0.0004","90","","96.0419","0.0009","90","","2284.45","0.07","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N O4 -","- C13 H11 N O4 -","- C104 H88 N8 O32 -","8","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0464","0.033","","0.0397","0.0364","0.0364","","","","","","1.1443","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029219","8.2762","0.0003","23.8663","0.0011","14.7994","0.0007","90","","90.02","0.002","90","","2923.2","0.2","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C128 H128 N16 O40 -","8","2","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.2065","0.0688","","0.1541","0.1099","0.1541","","","","","","0.9467","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029220","16.1476","0.0003","9.4116","0.0001","23.5383","0.0005","90","","109.522","0.001","90","","3371.58","0.1","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H35 N3 O8 -","- C41 H35 N3 O8 -","- C164 H140 N12 O32 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0663","0.0501","","0.1275","0.1195","0.1275","","","","","","0.9617","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029221","11.6839","0.0004","6.7445","0.0002","18.861","0.0006","90","","102.552","0.002","90","","1450.76","0.08","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.056","0.0398","","0.0982","0.0904","0.0982","","","","","","0.9952","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029222","11.9348","0.0003","6.0568","0.0002","15.6499","0.0005","90","","90","","90","","1131.28","0.06","200","","200","","","","","","","","local","4","P n a 21","P 2c -2n","33","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.03","0.0256","","0.0325","0.0296","0.0296","","","","","","1.1834","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029223","8.711","0.0002","8.6675","0.0002","19.1924","0.0005","90","","91.7908","0.0014","90","","1448.37","0.06","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0463","0.039","","0.1023","0.098","0.1023","","","","","","1.0217","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029224","12.2122","0.0004","9.272","0.0002","19.8137","0.0008","90","","90","","90","","2243.54","0.13","200","","200","","","","","","","","local","4","P b c a","-P 2ac 2ab","61","","","","- C28 H22 N2 O5 -","- C28 H22 N2 O5 -","- C112 H88 N8 O20 -","4","0.5","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.1065","0.0755","","0.1627","0.1504","0.1627","","","","","","1.0193","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029225","5.8152","0.0007","14.74","0.0017","18.259","0.002","90","","90","","90","","1565.1","0.3","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl F N O S -","- C14 H19 Cl F N O S -","- C56 H76 Cl4 F4 N4 O4 S4 -","4","1","","Lemonnier, Gérald; Hijfte, Nathalie Van; Poisson, Thomas; Couve-Bonnaire, Samuel; Pannecoucke, Xavier","Indium-promoted diastereoselective addition of fluorinated haloallylic derivatives to imines.","The Journal of organic chemistry","2014","79","7","2916","2925","10.1021/jo402810s","","x-ray","0.71073","MoKα","","0.0488","0.0456","","","0.1238","0.1266","","","","","","1.084","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029226","11.2581","0.0013","22.546","0.003","34.795","0.004","90","","90","","90","","8831.8","1.9","293","2","293","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Cl F N O2 S -","- C23 H21 Cl F N O2 S -","- C368 H336 Cl16 F16 N16 O32 S16 -","16","2","","Lemonnier, Gérald; Hijfte, Nathalie Van; Poisson, Thomas; Couve-Bonnaire, Samuel; Pannecoucke, Xavier","Indium-promoted diastereoselective addition of fluorinated haloallylic derivatives to imines.","The Journal of organic chemistry","2014","79","7","2916","2925","10.1021/jo402810s","","x-ray","0.71073","MoKα","","0.0904","0.0603","","","0.1713","0.1989","","","","","","0.994","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029227","7.502","0.0009","24.273","0.003","12.3458","0.0016","90","","90","","90","","2248.1","0.5","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 F N O2 S -","- C25 H26 F N O2 S -","- C100 H104 F4 N4 O8 S4 -","4","1","","Lemonnier, Gérald; Hijfte, Nathalie Van; Poisson, Thomas; Couve-Bonnaire, Samuel; Pannecoucke, Xavier","Indium-promoted diastereoselective addition of fluorinated haloallylic derivatives to imines.","The Journal of organic chemistry","2014","79","7","2916","2925","10.1021/jo402810s","","x-ray","0.71073","MoKα","","0.0673","0.0551","","","0.1263","0.1322","","","","","","1.082","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029228","16.4375","0.0014","13.4404","0.0011","18.1129","0.0013","90","","112.239","0.003","90","","3704","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C184 H136 N8 O24 -","8","2","","Mancuso, Raffaella; Ziccarelli, Ida; Armentano, Donatella; Marino, Nadia; Giofrè, Salvatore V; Gabriele, Bartolo","Divergent palladium iodide catalyzed multicomponent carbonylative approaches to functionalized isoindolinone and isobenzofuranimine derivatives.","The Journal of organic chemistry","2014","79","8","3506","3518","10.1021/jo500281h","","","0.71073","MoKα","","0.057","0.0415","","","0.1051","0.118","","","","","","1.034","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029229","7.3516","0.0017","7.508","0.0016","12.151","0.003","84.727","0.011","81.04","0.012","70.003","0.011","622","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C28 H28 N4 O6 -","2","1","","Mancuso, Raffaella; Ziccarelli, Ida; Armentano, Donatella; Marino, Nadia; Giofrè, Salvatore V; Gabriele, Bartolo","Divergent palladium iodide catalyzed multicomponent carbonylative approaches to functionalized isoindolinone and isobenzofuranimine derivatives.","The Journal of organic chemistry","2014","79","8","3506","3518","10.1021/jo500281h","","","0.71073","MoKα","","0.0477","0.0413","","","0.119","0.1318","","","","","","1.08","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029230","13.6562","0.0012","9.0022","0.0008","12.1433","0.001","90","","106.251","0.004","90","","1433.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Mancuso, Raffaella; Ziccarelli, Ida; Armentano, Donatella; Marino, Nadia; Giofrè, Salvatore V; Gabriele, Bartolo","Divergent palladium iodide catalyzed multicomponent carbonylative approaches to functionalized isoindolinone and isobenzofuranimine derivatives.","The Journal of organic chemistry","2014","79","8","3506","3518","10.1021/jo500281h","","","0.71073","MoKα","","0.0522","0.0392","","","0.1144","0.1324","","","","","","1.095","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029231","9.151","0.005","10.361","0.007","18.314","0.015","90","","90","","90","","1736","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","1","","Mancuso, Raffaella; Ziccarelli, Ida; Armentano, Donatella; Marino, Nadia; Giofrè, Salvatore V; Gabriele, Bartolo","Divergent palladium iodide catalyzed multicomponent carbonylative approaches to functionalized isoindolinone and isobenzofuranimine derivatives.","The Journal of organic chemistry","2014","79","8","3506","3518","10.1021/jo500281h","","","0.71073","MoKα","","0.0394","0.0355","","","0.0901","0.0945","","","","","","1.088","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029232","10.278","0.005","10.278","0.005","11.406","0.007","90","","90","","120","","1043.5","1","293","2","293","2","","","","","","","","7","P 31","P 31","144","","","","- C11 H9 Cl F4 N2 O S -","- C11 H9 Cl F4 N2 O S -","- C33 H27 Cl3 F12 N6 O3 S3 -","3","1","","Yang, Kai; Liu, Li-Juan; Liu, Jin-Tao","The synthesis and strecker reaction of 2-chlorotetrafluoroethanesulfinyl ketimines.","The Journal of organic chemistry","2014","79","7","3215","3220","10.1021/jo500008e","","","0.71073","MoKα","","0.0503","0.0466","","","0.1234","0.1274","","","","","","1.068","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029233","11.464","0.0007","13.4589","0.0008","14.008","0.0008","90","","90","","90","","2161.3","0.2","90","0.1","90","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 O7 -","- C25 H28 O7 -","- C100 H112 O28 -","4","1","","Centko, Ryan M; Williams, David E; Patrick, Brian O; Akhtar, Yasmin; Garcia Chavez, Miguel Angel; Wang, Yan Alexander; Isman, Murray B; de Silva, E Dilip; Andersen, Raymond J","Dhilirolides E-N, Meroterpenoids Produced in Culture by the Fungus Penicillium purpurogenum Collected in Sri Lanka: Structure Elucidation, Stable Isotope Feeding Studies, and Insecticidal Activity.","The Journal of organic chemistry","2014","79","8","3327","3335","10.1021/jo4024039","","","1.54178","CuKα","","0.0267","0.0264","","","0.0695","0.0698","","","","","","1.038","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029234","7.2879","0.0012","18.828","0.003","8.5038","0.0014","90","","93.045","0.006","90","","1165.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","","Iaroshenko, Viktor O; Gevorgyan, Ashot; Davydova, Olena; Villinger, Alexander; Langer, Peter","Regioselective and guided C-h activation of 4-nitropyrazoles.","The Journal of organic chemistry","2014","79","7","2906","2915","10.1021/jo4025418","","","0.71073","MoKα","","0.1153","0.0564","","","0.1127","0.1387","","","","","","1.018","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029235","11.8416","0.0004","6.0888","0.0002","21.1714","0.0007","90","","105.7","0.002","90","","1469.53","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C64 H56 N16 O8 -","4","1","","Iaroshenko, Viktor O; Gevorgyan, Ashot; Davydova, Olena; Villinger, Alexander; Langer, Peter","Regioselective and guided C-h activation of 4-nitropyrazoles.","The Journal of organic chemistry","2014","79","7","2906","2915","10.1021/jo4025418","","","0.71073","MoKα","","0.0575","0.046","","","0.1218","0.131","","","","","","1.038","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029236","9.61","0.0003","26.7655","0.0008","6.8056","0.0002","90","","105.485","0.001","90","","1686.97","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C80 H76 N12 O8 -","4","1","","Iaroshenko, Viktor O; Gevorgyan, Ashot; Davydova, Olena; Villinger, Alexander; Langer, Peter","Regioselective and guided C-h activation of 4-nitropyrazoles.","The Journal of organic chemistry","2014","79","7","2906","2915","10.1021/jo4025418","","","0.71073","MoKα","","0.0591","0.0498","","","0.1314","0.139","","","","","","1.071","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029237","7.7337","0.0002","9.7692","0.0002","11.6204","0.0003","99.709","0.001","95.981","0.001","106.25","0.001","820.1","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 F3 N4 O4 -","- C17 H11 F3 N4 O4 -","- C34 H22 F6 N8 O8 -","2","1","","Iaroshenko, Viktor O; Gevorgyan, Ashot; Davydova, Olena; Villinger, Alexander; Langer, Peter","Regioselective and guided C-h activation of 4-nitropyrazoles.","The Journal of organic chemistry","2014","79","7","2906","2915","10.1021/jo4025418","","","0.71073","MoKα","","0.0698","0.0459","","","0.1128","0.1305","","","","","","1.026","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029238","12.4481","0.0014","14.0884","0.0016","9.799","0.0011","90","","121.412","0.003","90","","1466.6","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","Iaroshenko, Viktor O; Gevorgyan, Ashot; Davydova, Olena; Villinger, Alexander; Langer, Peter","Regioselective and guided C-h activation of 4-nitropyrazoles.","The Journal of organic chemistry","2014","79","7","2906","2915","10.1021/jo4025418","","","0.71073","MoKα","","0.0801","0.0523","","","0.1155","0.1312","","","","","","1.042","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029239","5.1685","0.0002","10.4961","0.0004","21.9445","0.0007","90","","90","","90","","1190.47","0.07","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O6 -","- C13 H14 O6 -","- C52 H56 O24 -","4","1","","Lan, Ping; Banwell, Martin G; Willis, Anthony C","Chemoenzymatic Total Syntheses of Ribisins A, B, and D, Polyoxygenated Benzofuran Derivatives Displaying NGF-Potentiating Properties.","The Journal of organic chemistry","2014","79","7","2829","2842","10.1021/jo500210k","","","0.71073","MoKα","","0.0579","0.0369","","0.0841","0.0757","0.0841","","","","","","0.9872","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029240","4.7511","0.0005","13.5474","0.001","20.995","0.0018","90","","90","","90","","1351.3","0.2","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O7 -","- C14 H16 O7 -","- C56 H64 O28 -","4","1","","Lan, Ping; Banwell, Martin G; Willis, Anthony C","Chemoenzymatic Total Syntheses of Ribisins A, B, and D, Polyoxygenated Benzofuran Derivatives Displaying NGF-Potentiating Properties.","The Journal of organic chemistry","2014","79","7","2829","2842","10.1021/jo500210k","","","0.71073","MoKα","","0.1224","0.0714","","0.1255","0.1098","0.1255","","","","","","1.0061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029241","10.2259","0.0006","4.7596","0.0003","13.9296","0.0008","90","","108.834","0.003","90","","641.67","0.07","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C28 H28 O10 -","2","1","","Lan, Ping; Banwell, Martin G; Willis, Anthony C","Chemoenzymatic Total Syntheses of Ribisins A, B, and D, Polyoxygenated Benzofuran Derivatives Displaying NGF-Potentiating Properties.","The Journal of organic chemistry","2014","79","7","2829","2842","10.1021/jo500210k","","","0.71073","MoKα","","0.0483","0.0395","","0.0909","0.0865","0.0909","","","","","","1.0209","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029242","14.5162","0.0012","8.5913","0.001","15.467","0.0014","90","","94.824","0.007","90","","1922.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H34 N4 O -","- C49 H34 N4 O -","- C98 H68 N8 O2 -","2","0.5","","Liu, Bin; Li, Xiaofang; Maciołek, Justyna; Stępień, Marcin; Chmielewski, Piotr J","Regioselective Internal Carbonylation of the 2-Aza-21-carbaporphyrin: Access to Configurationally Stable Chiral Porphyrinoids.","The Journal of organic chemistry","2014","79","7","3129","3139","10.1021/jo500272t","","","1.54178","CuKα","","0.1543","0.0987","","","0.2186","0.2296","","","","","","1.445","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029243","14.6447","0.0015","8.4919","0.0007","15.438","0.0011","90","","94.18","0.008","90","","1914.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 N4 O2 -","- C50 H34 N4 O2 -","- C100 H68 N8 O4 -","2","0.5","","Liu, Bin; Li, Xiaofang; Maciołek, Justyna; Stępień, Marcin; Chmielewski, Piotr J","Regioselective Internal Carbonylation of the 2-Aza-21-carbaporphyrin: Access to Configurationally Stable Chiral Porphyrinoids.","The Journal of organic chemistry","2014","79","7","3129","3139","10.1021/jo500272t","","","1.54178","CuKα","","0.1108","0.0838","","","0.2139","0.2374","","","","","","1.13","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029244","8.655","0.013","10.845","0.016","12.574","0.018","104.939","0.017","107.636","0.017","102.881","0.019","1027","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 O2 -","- C26 H21 N3 O2 -","- C52 H42 N6 O4 -","2","1","","Hao, Wenyan; Jiang, Yuanyuan; Cai, Mingzhong","Synthesis of Indolyl Imidazole Derivatives via Base-Promoted Tandem Reaction of N-[2-(1-Alkynyl)phenyl]carbodiimides with Isocyanides.","The Journal of organic chemistry","2014","79","8","3634","3640","10.1021/jo402552c","","","0.71073","MoKα","","0.1214","0.106","","","0.282","0.3004","","","","","","1.01","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029245","8.914","0.0001","8.3961","0.0001","14.3759","0.0002","90","","91.907","0.001","90","","1075.34","0.02","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","VRT-1205044","","- C21 H23 N5 O5 -","- C21 H23 N5 O5 -","- C42 H46 N10 O10 -","2","1","","Bligh, Cavan M; Anzalone, Luigi; Jung, Young Chun; Zhang, Yuegang; Nugent, William A","Preparation of both c5' epimers of 5'-C-methyladenosine: reagent control trumps substrate control.","The Journal of organic chemistry","2014","79","7","3238","3243","10.1021/jo500089t","","","1.54178","CuKα","","0.0303","0.0301","","","0.0705","0.0708","","","","","","1.141","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029246","18.255","0.008","12.344","0.005","14.056","0.006","90","","103.505","0.005","90","","3080","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C152 H120 N24 O16 -","8","2","","Hong, Xiaohu; Wang, Hao; Qian, Guangyin; Tan, Qitao; Xu, Bin","Rhodium-catalyzed direct C-h bond cyanation of arenes with isocyanide.","The Journal of organic chemistry","2014","79","7","3228","3237","10.1021/jo500087g","","","0.71073","MoKα","","0.1367","0.0812","","","0.17","0.1966","","","","","","1.07","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029247","8.739","0.004","10.227","0.005","7.217","0.003","90","","98.656","0.009","90","","637.7","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 N5 -","- C6 H3 N5 -","- C24 H12 N20 -","4","1","","Liu, Shanshan; Lentz, Dieter; Tzschucke, C Christoph","Conversion of pyridine N-oxides to tetrazolopyridines.","The Journal of organic chemistry","2014","79","7","3249","3254","10.1021/jo500231m","","","0.71073","MoKα","","0.0686","0.0544","","","0.1572","0.1667","","","","","","1.075","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029248","6.5888","0.0013","22.383","0.005","8.77","0.0018","90","","99.58","0.03","90","","1275.3","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N3 O4 S -","- C25 H33 N3 O4 S -","- C50 H66 N6 O8 S2 -","2","1","","Pellegrino, Sara; Contini, Alessandro; Gelmi, Maria Luisa; Lo Presti, Leonardo; Soave, Raffaella; Erba, Emanuela","Asymmetric modular synthesis of a semirigid dipeptide mimetic by cascade cycloaddition/ring rearrangement and borohydride reduction.","The Journal of organic chemistry","2014","79","7","3094","3102","10.1021/jo500237j","","","0.71073","MoKα","","0.1042","0.0428","","","0.0761","0.0956","","","","","","0.993","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029249","6.2959","0.0009","21.648","0.003","9.8033","0.0014","90","","107.774","0.002","90","","1272.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N3 O4 S -","- C25 H33 N3 O4 S -","- C50 H66 N6 O8 S2 -","2","1","","Pellegrino, Sara; Contini, Alessandro; Gelmi, Maria Luisa; Lo Presti, Leonardo; Soave, Raffaella; Erba, Emanuela","Asymmetric modular synthesis of a semirigid dipeptide mimetic by cascade cycloaddition/ring rearrangement and borohydride reduction.","The Journal of organic chemistry","2014","79","7","3094","3102","10.1021/jo500237j","","","0.71073","MoKα","","0.0603","0.0386","","","0.0907","0.1011","","","","","","1.003","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029250","9.4499","0.0011","14.5191","0.0014","24.11","0.002","90","","90","","90","","3308","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Sakthivel, Karuppusamy; Srinivasan, Kannupal","Synthesis of Naphthalene Amino Esters by the Blaise Reaction of o-Alkynylarenenitriles.","The Journal of organic chemistry","2014","79","7","3244","3248","10.1021/jo500137m","","","0.71073","MoKα","","0.108","0.0603","","","0.1372","0.162","","","","","","1.013","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4029251","10.552","0.003","11.01","0.003","11.195","0.004","102.898","0.003","115.514","0.003","103.025","0.003","1065","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 F3 N3 O2 S -","- C21 H18 F3 N3 O2 S -","- C42 H36 F6 N6 O4 S2 -","2","1","","Wang, Hao; Yu, Yang; Hong, Xiaohu; Tan, Qitao; Xu, Bin","Rhodium-Catalyzed Direct ortho C-N Bond Formation of Aromatic Azo Compounds with Azides.","The Journal of organic chemistry","2014","79","7","3279","3288","10.1021/jo500412w","","","0.71073","MoKα","","0.1072","0.0794","","","0.2308","0.2577","","","","","","1.067","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029252","34.511","0.003","8.6859","0.0008","18.3438","0.0017","90","","90","","90","","5498.7","0.9","296","","296","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C240 H280 N8 O16 -","8","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","","0.0763","","","","0.2328","","","","","","1.057","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029253","26.203","0.003","8.9809","0.0009","11.0665","0.0011","90","","90","","90","","2604.2","0.5","296","","296","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C120 H140 N4 O8 -","4","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","","0.0514","","","","0.1477","","","","","","1.071","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029254","9.34","0.003","11.0137","0.001","25.4582","0.0011","90","","90","","90","","2618.8","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C120 H140 N4 O8 -","4","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","0.0576","0.0464","","","0.1239","0.1328","","","","","","1.077","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029255","34.467","0.004","16.0663","0.0018","9.5149","0.001","90","","93.017","0.007","90","","5261.6","1","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C240 H280 N8 O16 -","8","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","","0.0845","","","","0.273","","","","","","1.026","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029256","9.3007","0.00017","10.82862","0.00017","24.9809","0.0007","90","","90","","90","","2515.92","0.09","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C120 H140 N4 O8 -","4","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","","0.0397","","","","0.0971","","","","","","1.195","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029257","14.794","0.019","32.47","0.05","17.79","0.03","90","","100.281","0.016","90","","8408","2","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C182 H94 N14 O4 S2 -","- C182 H96 N14 O4 S2 -","- C364 H192 N28 O8 S4 -","2","0.5","","Sakaguchi, Ken-Ichi; Kamimura, Takuya; Uno, Hidemitsu; Mori, Shigeki; Ozako, Shuwa; Nobukuni, Hirofumi; Ishida, Masatoshi; Tani, Fumito","Phenothiazine-bridged cyclic porphyrin dimers as high-affinity hosts for fullerenes and linear array of c60 in self-assembled porphyrin nanotube.","The Journal of organic chemistry","2014","79","7","2980","2992","10.1021/jo500034f","","","0.71041","synchrotron","","0.1729","0.0832","","","0.2156","0.2384","","","","","","1.068","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029258","10.0257","0.0008","21.929","0.002","15.9556","0.0014","90","","91.711","0.007","90","","3506.3","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 I N2 O7 S -","- C38 H36 I N2 O7 S -","- C152 H144 I4 N8 O28 S4 -","4","1","","Hu, Yancheng; Yi, Ruxia; Wang, Chunxiang; Xin, Xiaoyi; Wu, Fan; Wan, Boshun","From Propargylamides to Oxazole Derivatives: NIS-Mediated Cyclization and Further Oxidation by Dioxygen.","The Journal of organic chemistry","2014","79","7","3052","3059","10.1021/jo5001719","","","0.71073","MoKα","","0.1033","0.0582","","","0.1532","0.173","","","","","","1.122","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029259","21.5783","0.0013","10.3365","0.0006","5.9411","0.0002","90","","90","","90","","1325.13","0.12","291","2","291.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H13 N S -","- C16 H13 N S -","- C64 H52 N4 S4 -","4","1","","Li, Yabo; Wang, Jingran; Huang, Mengmeng; Wang, Zhiwei; Wu, Yusheng; Wu, Yangjie","Direct C-H Arylation of Thiophenes at Low Catalyst Loading of a Phosphine-Free Bis(alkoxo)palladium Complex.","The Journal of organic chemistry","2014","79","7","2890","2897","10.1021/jo402745b","","","1.5418","CuKα","","0.0398","0.0354","","","0.0911","0.0955","","","","","","1.037","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029260","6.7761","0.0005","11.2906","0.0007","11.3537","0.0008","90","","102.15","0.007","90","","849.17","0.1","291","2","291.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 O2 S -","- C20 H18 O2 S -","- C40 H36 O4 S2 -","2","1","","Li, Yabo; Wang, Jingran; Huang, Mengmeng; Wang, Zhiwei; Wu, Yusheng; Wu, Yangjie","Direct C-H Arylation of Thiophenes at Low Catalyst Loading of a Phosphine-Free Bis(alkoxo)palladium Complex.","The Journal of organic chemistry","2014","79","7","2890","2897","10.1021/jo402745b","","","1.5418","CuKα","","0.0429","0.0376","","","0.0938","0.0991","","","","","","1.051","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029261","4.88121","0.00019","15.8851","0.0006","10.0737","0.0004","90","","90.732","0.004","90","","781.04","0.05","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N O S2 -","- C16 H17 N O S2 -","- C32 H34 N2 O2 S4 -","2","1","","Li, Yabo; Wang, Jingran; Huang, Mengmeng; Wang, Zhiwei; Wu, Yusheng; Wu, Yangjie","Direct C-H Arylation of Thiophenes at Low Catalyst Loading of a Phosphine-Free Bis(alkoxo)palladium Complex.","The Journal of organic chemistry","2014","79","7","2890","2897","10.1021/jo402745b","","","0.7107","MoKα","","0.05","0.0389","","","0.0827","0.0891","","","","","","1.03","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029262","9.7854","0.0012","7.299","0.0009","26.568","0.003","90","","96.485","0.002","90","","1885.4","0.4","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C92 H84 N12 O8 -","4","1","","Yang, Hai-Bin; Zhao, Yun-Zhou; Sang, Rui; Shi, Min","(DHQ)2AQN-Catalyzed Asymmetric Substitution of Isatin-Derived Hydrazones with O-Boc-Protected Morita-Baylis-Hillman Adducts: A Strategy for Synthesizing Enantioenriched Azo Compounds Incorporating an Oxindole Scaffold.","The Journal of organic chemistry","2014","79","8","3519","3528","10.1021/jo5003246","","","0.71073","MoKα","","0.0694","0.0512","","","0.1291","0.14","","","","","","1.055","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029263","10.0361","0.0003","10.0361","0.0003","15.3067","0.0004","90","","90","","90","","1541.74","0.08","193","2","193","2","","","","","","","","5","P 41","P 4w","76","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0898","0.0573","","","0.1074","0.1206","","","","","","1.015","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029264","5.9961","0.0001","9.1613","0.0002","25.6885","0.0007","90","","90","","90","","1411.12","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O2 S2 -","- C13 H19 N O2 S2 -","- C52 H76 N4 O8 S8 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0474","0.0398","","","0.0912","0.0963","","","","","","1.036","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029265","8.9323","0.0002","10.4477","0.0002","16.1303","0.0003","90","","90","","90","","1505.31","0.05","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O4 S -","- C14 H23 N O4 S -","- C56 H92 N4 O16 S4 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0398","0.0354","","","0.0944","0.0981","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029266","5.8566","0.0001","12.8241","0.0003","20.0677","0.0005","90","","90","","90","","1507.2","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0526","0.0424","","","0.1002","0.1063","","","","","","1.046","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029267","7.6984","0.0003","9.2444","0.0003","10.9871","0.0005","90","","110.048","0.0014","90","","734.54","0.05","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N O2 S2 -","- C13 H21 N O2 S2 -","- C26 H42 N2 O4 S4 -","2","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0387","0.0334","","","0.0873","0.0912","","","","","","1.005","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029268","6.1309","0.0001","9.3097","0.0001","25.4281","0.0005","90","","90","","90","","1451.36","0.04","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C60 H84 N4 O8 S4 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.039","0.0345","","","0.088","0.0909","","","","","","1.008","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029269","9.6316","0.0004","10.2372","0.0004","10.7405","0.0005","97.58","0.002","94.223","0.002","108.013","0.002","990.93","0.07","150","2","150","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C18 H30 N O3 P S -","- C18 H30 N O3 P S -","- C36 H60 N2 O6 P2 S2 -","2","2","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0304","0.0287","","","0.0731","0.0743","","","","","","1.035","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029270","5.7765","0.0002","10.9416","0.0004","14.4434","0.0006","90","","93.134","0.002","90","","911.52","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C17 H31 N O5 -","- C17 H31 N O5 -","- C34 H62 N2 O10 -","2","1","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0478","0.0414","","","0.0886","0.0923","","","","","","1.03","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029271","8.5091","0.0019","5.3731","0.0011","16.347","0.004","90","","92.714","0.007","90","","746.6","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0443","0.0386","","","0.0977","0.1031","","","","","","1.044","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029272","8.9941","0.0007","7.718","0.0005","10.8751","0.0009","90","","101.498","0.003","90","","739.76","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0401","0.036","","","0.0841","0.0862","","","","","","1.102","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029273","6.8561","0.0002","12.1178","0.0005","18.7361","0.0008","90","","90","","90","","1556.61","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0423","0.0367","","","0.0851","0.0879","","","","","","1.112","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029274","9.4518","0.0006","9.6464","0.0006","10.9137","0.0007","90","","99.425","0.003","90","","981.63","0.11","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 O5 P -","- C21 H25 O5 P -","- C42 H50 O10 P2 -","2","1","","Weise, Christian F; Lauridsen, Vibeke H; Rambo, Raoní S; Iversen, Eva H; Olsen, Marie-Luise; Jørgensen, Karl Anker","Organocatalytic Access to Enantioenriched Dihydropyran Phosphonates via an Inverse-Electron-Demand Hetero-Diels-Alder Reaction.","The Journal of organic chemistry","2014","79","8","3537","3546","10.1021/jo500347a","","x-ray","0.56085","AgKα","","0.0485","0.0409","","","0.0947","0.1","","","","","","1.049","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029275","6.2585","0.0003","15.968","0.0007","17.0842","0.0008","90","","90","","90","","1707.32","0.14","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Weise, Christian F; Lauridsen, Vibeke H; Rambo, Raoní S; Iversen, Eva H; Olsen, Marie-Luise; Jørgensen, Karl Anker","Organocatalytic Access to Enantioenriched Dihydropyran Phosphonates via an Inverse-Electron-Demand Hetero-Diels-Alder Reaction.","The Journal of organic chemistry","2014","79","8","3537","3546","10.1021/jo500347a","","","0.56086","AgKα","","0.0442","0.038","","","0.0886","0.0924","","","","","","1.075","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029276","9.78","0.003","10.383","0.003","13.081","0.004","97.135","0.006","110.846","0.01","102.196","0.009","1184.1","0.6","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H25 B Br N3 O8 -","- C20 H25 B Br N3 O8 -","- C40 H50 B2 Br2 N6 O16 -","2","1","","Suchý, Mojmír; Hudson, Robert H E","Pyrimidine-Fused Heterocyclic Frameworks Based on an N4-Arylcytosine Scaffold: Synthesis, Characterization, and PNA Oligomerization of the Fluorescent Cytosine Analogue 5,6-BenzopC.","The Journal of organic chemistry","2014","79","8","3336","3347","10.1021/jo402873e","","","0.71073","MoKα","","0.0728","0.0395","","","0.0839","0.0926","","","","","","1.036","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029277","6.1224","0.0011","12.237","0.002","16.495","0.003","90","","99.471","0.004","90","","1219","0.4","130","0.1","130","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 N O6 -","- C30 H27 N O6 -","- C60 H54 N2 O12 -","2","1","","Chaplin, Jason H; Jackson, Kristal; White, Jonathan M; Flynn, Bernard L","Convergent Access to Polycyclic Cyclopentanoids from α,β-Unsaturated Acid Chlorides and Alkynes through a Reductive Coupling, Nazarov Cyclization Sequence.","The Journal of organic chemistry","2014","79","8","3659","3664","10.1021/jo500040b","","","0.71073","MoKα","","0.0411","0.0385","","","0.0958","0.0976","","","","","","1.018","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029278","7.3446","0.0011","10.3043","0.0016","9.2757","0.0014","90","","101.418","0.003","90","","688.1","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H14 N4 O -","- C15 H14 N4 O -","- C30 H28 N8 O2 -","2","1","","Xiong, Yang; Zhang, Xuxue; Huang, Tao; Cao, Song","Synthesis of N-(α-Fluorovinyl)azoles by the Reaction of Difluoroalkenes with Azoles.","The Journal of organic chemistry","2014","79","14","6395","6402","10.1021/jo5005845","","","0.71073","MoKα","","0.0945","0.0738","","","0.2354","0.3327","","","","","","1.035","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029279","9.44","0.009","9.863","0.01","11.214","0.011","90","","90","","90","","1044.1","1.8","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Taber, Douglass F; Paquette, Craig M","Synthesis of the pentacylic core of (+)-salvileucalin B.","The Journal of organic chemistry","2014","79","8","3410","3413","10.1021/jo500164x","","","0.71073","MoKα","","0.1668","0.1657","","","0.3563","0.3581","","","","","","3.162","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029280","9.144","0.0005","10.9927","0.0007","9.6418","0.0007","90","","103.148","0.004","90","","943.76","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C44 H52 N4 O4 -","2","1","","Selim, Khalid B; Martel, Arnaud; Laurent, Mathieu Y; Lhoste, Jérôme; Py, Sandrine; Dujardin, Gilles","Enantioselective Ruthenium-Catalyzed 1,3-Dipolar Cycloadditions between C-Carboalkoxy Ketonitrones and Methacrolein: Solvent Effect on Reaction Selectivity and Its Rational.","The Journal of organic chemistry","2014","79","8","3414","3426","10.1021/jo5001737","","","0.71073","MoKα","","0.1012","0.0517","","","0.1026","0.1189","","","","","","1.011","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029281","19.986","0.004","19.986","0.004","8.8105","0.0018","90","","90","","120","","3047.8","1.1","173","2","173","2","","","","","","","","3","P 63","P 6c","173","","","","- C69 H57 N15 -","- C69 H57 N15 -","- C138 H114 N30 -","2","0.333333","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1435","0.1284","","","0.3281","0.3369","","","","","","2.032","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029282","15.319","0.002","15.319","0.002","44.673","0.009","90","","90","","120","","9079","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C150 H90 N30 -","- C150 H90 N30 -","- C450 H270 N90 -","3","0.166667","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0657","0.0588","","","0.1366","0.1413","","","","","","1.155","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029283","11.366","0.002","15.991","0.003","9.664","0.0019","90","","110.578","0.003","90","","1644.4","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N6 -","- C42 H42 N6 -","- C84 H84 N12 -","2","0.5","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0716","0.0595","","","0.1167","0.1235","","","","","","1.116","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029284","20.221","0.003","20.221","0.003","38.779","0.008","90","","90","","120","","13732","4","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C159 H42 N9 -","- C159 H42 N9 -","- C954 H252 N54 -","6","0.333333","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1448","0.1278","","","0.3207","0.3398","","","","","","1.884","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029285","10.491","0.003","15.082","0.003","15.571","0.005","62.847","0.011","89.307","0.018","77.513","0.016","2129.7","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H45 N15 -","- C45 H45 N15 -","- C90 H90 N30 -","2","1","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1066","0.0848","","","0.1866","0.1992","","","","","","1.114","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029286","15.098","0.003","15.098","0.003","94.97","0.02","90","","90","","120","","18748","7","173.15","","173.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C59 H45 Cl8 N18 -","- C59 H45 Cl8 N18 -","- C708 H540 Cl96 N216 -","12","0.333333","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1313","0.1234","","","0.3122","0.3188","","","","","","1.177","","","","has coordinates","259535","2020-12-04","06:05:00",""
"4029287","7.6467","0.0015","24.339","0.007","17.615","0.003","90","","94.85","0.03","90","","3266.6","1.3","173","2","173","2","","","","","","","","3","C 1 m 1","C -2y","8","","","","- C39 H39 N9 -","- C39 H39 N9 -","- C156 H156 N36 -","4","1","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0892","0.084","","","0.2186","0.2235","","","","","","1.124","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029288","21.571","0.003","21.571","0.003","27.87","0.006","90","","90","","120","","11231","3","173","2","173","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- C141 H57 N15 -","- C141 H57 N15 -","- C564 H228 N60 -","4","0.333333","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1433","0.1162","","","0.2891","0.3017","","","","","","1.675","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029289","15.391","0.003","18.883","0.004","23.094","0.005","77.42","0.03","87.51","0.03","86.78","0.03","6537","2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C160 H90 N30 -","- C160 H90 N30 -","- C320 H180 N60 -","2","1","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1729","0.1401","","","0.3374","0.3578","","","","","","1.661","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029290","10.778","0.002","12.792","0.003","13.514","0.003","102.94","0.03","111.17","0.03","105.89","0.03","1559.1","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H36 N12 -","- C36 H36 N12 -","- C72 H72 N24 -","2","1","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0574","0.0519","","","0.1344","0.1388","","","","","","1.091","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029291","11.0322","0.0008","16.8447","0.001","19.9205","0.0013","90","","105.315","0.003","90","","3570.4","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N18 -","- C36 H42 N18 -","- C144 H168 N72 -","4","1","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0729","0.0677","","","0.1511","0.154","","","","","","1.261","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029292","15.21","0.002","15.21","0.002","44.815","0.009","90","","90","","120","","8979","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C138 H78 N30 -","- C138 H78 N30 -","- C414 H234 N90 -","3","0.166667","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.1052","0.1031","","","0.2581","0.2595","","","","","","1.135","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029293","12.655","0.003","10.193","0.003","8.544","0.002","90","","102.529","0.006","90","","1075.9","0.5","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H19 O2 -","- C11 H19 O2 -","- C44 H76 O8 -","4","1","","Zhu, Jia-Liang; Wu, Sih-Ting; Shie, Jr-Yun","Access to Functionalized Bicyclo[4,3,0]nonenes via Palladium-Catalyzed Oxidative Cyclization of 2-Allylcyclohexyl Oximes.","The Journal of organic chemistry","2014","79","8","3623","3633","10.1021/jo5005422","","","0.71073","MoKα","","0.0571","0.0507","","","0.1379","0.1459","","","","","","1.042","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029294","10.368","0.005","10.478","0.005","21.015","0.01","88.133","0.005","89.305","0.005","80.119","0.005","2247.9","1.9","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C19 H33 N O2 S Si2 -","- C19 H33 N O2 S Si2 -","- C76 H132 N4 O8 S4 Si8 -","4","4","","Kondo, Yasuhiro; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Enantioselective Synthesis of α-Silylamines by Meerwein-Ponndorf-Verley-Type Reduction of α-Silylimines by a Chiral Lithium Amide.","The Journal of organic chemistry","2014","79","8","3601","3609","10.1021/jo500441a","","","0.71073","MoKα","","0.0567","0.0541","","","0.1392","0.1419","","","","","","1.049","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029295","10.545","0.005","9.535","0.004","10.077","0.004","90","","115.62","0.03","90","","913.6","0.7","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 S Si -","- C17 H23 N O2 S Si -","- C34 H46 N2 O4 S2 Si2 -","2","1","","Kondo, Yasuhiro; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Enantioselective Synthesis of α-Silylamines by Meerwein-Ponndorf-Verley-Type Reduction of α-Silylimines by a Chiral Lithium Amide.","The Journal of organic chemistry","2014","79","8","3601","3609","10.1021/jo500441a","","","1.54178","CuKα","","0.0478","0.0449","","","0.124","0.1269","","","","","","1.032","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029296","7.844","0.011","11.183","0.015","12.865","0.019","85.56","0.05","85.01","0.04","80.27","0.03","1106","3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Cl F3 N2 O4 -","- C23 H20 Cl F3 N2 O4 -","- C46 H40 Cl2 F6 N4 O8 -","2","1","","Yang, Li-Jun; Li, Shen; Wang, Shuai; Nie, Jing; Ma, Jun-An","Nucleophilic lewis base dependent addition reactions of allenoates with trifluoromethylated cyclic ketimines.","The Journal of organic chemistry","2014","79","8","3547","3558","10.1021/jo500356t","","","0.71073","MoKα","","0.0949","0.0801","","","0.2778","0.2895","","","","","","1.149","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029297","10.062","0.009","12.589","0.011","18.91","0.017","90","","101.187","0.008","90","","2350","4","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cl F3 N2 O4 -","- C23 H20 Cl F3 N2 O4 -","- C92 H80 Cl4 F12 N8 O16 -","4","1","","Yang, Li-Jun; Li, Shen; Wang, Shuai; Nie, Jing; Ma, Jun-An","Nucleophilic lewis base dependent addition reactions of allenoates with trifluoromethylated cyclic ketimines.","The Journal of organic chemistry","2014","79","8","3547","3558","10.1021/jo500356t","","","0.71073","MoKα","","0.0923","0.0582","","","0.145","0.1693","","","","","","1.022","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029298","8.7212","0.0014","9.3821","0.0013","11.148","0.002","90","","90","","90","","912.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C36 H40 N8 O12 -","4","1","","Thalluri, Kishore; Manne, Srinivasa Rao; Dev, Dharm; Mandal, Bhubaneswar","Ethyl 2-Cyano-2-(4-nitrophenylsulfonyloxyimino)acetate-Mediated Lossen Rearrangement: Single-Pot Racemization-Free Synthesis of Hydroxamic Acids and Ureas from Carboxylic Acids.","The Journal of organic chemistry","2014","79","9","3765","3775","10.1021/jo4026429","","","0.71073","MoKα","","0.1259","0.0836","","","0.2139","0.249","","","","","","0.979","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029299","9.046","0.0008","11.3528","0.0009","30.038","0.002","90","","98.656","0.003","90","","3049.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 O9 -","- C34 H30 N2 O9 -","- C136 H120 N8 O36 -","4","1","","Gao, Hong; Sun, Jing; Yan, Chao-Guo","Selective Synthesis of Functionalized Spiro[indoline-3,2'-pyridines] and Spiro[indoline-3,4'-pyridines] by Lewis Acid Catalyzed Reactions of Acetylenedicarboxylate, Arylamines, and Isatins.","The Journal of organic chemistry","2014","79","9","4131","4136","10.1021/jo500144z","","","0.71073","MoKα","","0.2407","0.1671","","","0.3227","0.3552","","","","","","1.194","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029300","10.2438","0.0011","13.8664","0.0015","14.1071","0.0015","105.457","0.003","108.034","0.003","98.027","0.004","1781.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N2 O9 -","- C38 H38 N2 O9 -","- C76 H76 N4 O18 -","2","1","","Gao, Hong; Sun, Jing; Yan, Chao-Guo","Selective Synthesis of Functionalized Spiro[indoline-3,2'-pyridines] and Spiro[indoline-3,4'-pyridines] by Lewis Acid Catalyzed Reactions of Acetylenedicarboxylate, Arylamines, and Isatins.","The Journal of organic chemistry","2014","79","9","4131","4136","10.1021/jo500144z","","","0.71073","MoKα","","0.1462","0.0654","","","0.139","0.1614","","","","","","0.979","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029301","11.2385","0.0018","11.278","0.0019","11.737","0.002","113.393","0.005","92.165","0.005","102.263","0.004","1321.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O10 -","- C27 H24 N2 O10 -","- C54 H48 N4 O20 -","2","1","","Gao, Hong; Sun, Jing; Yan, Chao-Guo","Selective Synthesis of Functionalized Spiro[indoline-3,2'-pyridines] and Spiro[indoline-3,4'-pyridines] by Lewis Acid Catalyzed Reactions of Acetylenedicarboxylate, Arylamines, and Isatins.","The Journal of organic chemistry","2014","79","9","4131","4136","10.1021/jo500144z","","","0.71073","MoKα","","0.137","0.1036","","","0.2954","0.3116","","","","","","1.046","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029302","12.536","0.003","6.7909","0.0012","18.646","0.004","90","","90","","90","","1587.3","0.6","173","","173","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H9 Cl F5 N S Se -","- C15 H9 Cl F5 N S Se -","- C60 H36 Cl4 F20 N4 S4 Se4 -","4","0.5","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.059","","","","0.1102","","","","","","1.139","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029303","6.761","0.005","12.748","0.008","18.642","0.012","90","","90","","90","","1606.7","1.9","125","","125","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H9 F5 N2 O2 S Se -","- C15 H9 F5 N2 O2 S Se -","- C60 H36 F20 N8 O8 S4 Se4 -","4","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0544","","","","0.1681","","","","","","0.95","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029304","12.075","0.01","9.345","0.007","16.111","0.013","90","","106.76","0.03","90","","1741","2","125","","125","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F5 N O2 S2 -","- C17 H14 F5 N O2 S2 -","- C68 H56 F20 N4 O8 S8 -","4","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.1192","","","","0.3828","","","","","","1.213","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029305","35.77","0.05","6.207","0.008","15.93","0.03","90","","107.028","0.014","90","","3382","9","125","","125","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 F5 N O S Se -","- C16 H12 F5 N O S Se -","- C128 H96 F40 N8 O8 S8 Se8 -","8","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0714","","","","0.229","","","","","","1.035","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029306","7.911","0.011","10.425","0.015","11.609","0.017","109.181","0.003","109.088","0.012","100.49","0.013","808","2","125","","125","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H9 F5 N2 O2 S Se -","- C15 H9 F5 N2 O2 S Se -","- C30 H18 F10 N4 O4 S2 Se2 -","2","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0599","","","","0.1479","","","","","","0.944","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029307","9.65","0.004","12.717","0.006","15.93","0.007","77.557","0.013","75.918","0.011","77.43","0.014","1823.2","1.4","125","","125","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H14 F5 N O2 S Se -","- C17 H14 F5 N O2 S Se -","- C68 H56 F20 N4 O8 S4 Se4 -","4","2","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0553","","","","0.1658","","","","","","1.048","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029308","7.789","0.009","33.34","0.04","6.278","0.008","90","","90","","90","","1630","3","125","","125","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H12 F5 N S Se -","- C16 H12 F5 N S Se -","- C64 H48 F20 N4 S4 Se4 -","4","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0629","","","","0.1899","","","","","","0.946","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029309","9.0021","0.001","14.9816","0.0018","16.5464","0.0019","90","","90","","90","","2231.5","0.4","298","1","298","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O3 S -","- C21 H32 N2 O3 S -","- C84 H128 N8 O12 S4 -","4","1","","Bosque, Irene; Gonzalez-Gomez, Jose C; Loza, María Isabel; Brea, José","Natural Tetraponerines: A General Synthesis and Antiproliferative Activity.","The Journal of organic chemistry","2014","79","9","3982","3991","10.1021/jo500446f","","","0.71073","MoKα","","0.0488","0.0367","","","0.0898","0.0977","","","","","","1.021","","","","has coordinates,has disorder","178472","2020-10-21","18:00:00",""
"4029310","9.9316","0.0004","13.506","0.0006","14.3545","0.0006","106.446","0.001","105.813","0.001","103.488","0.001","1673.27","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H31 Cl N2 O9 S -","- C34 H31 Cl N2 O9 S -","- C68 H62 Cl2 N4 O18 S2 -","2","1","","Qiu, Lin; Gao, Lixin; Tang, Jixing; Wang, Dongwei; Guo, Xin; Liu, Shunying; Yang, Liping; Li, Jia; Hu, Wenhao","Regio- and Diastereoselective Construction of α-Hydroxy-δ-amino Ester Derivatives via 1,4-Conjugate Addition of β,γ-Unsaturated N-Sulfonylimines.","The Journal of organic chemistry","2014","79","9","4142","4147","10.1021/jo500176g","","","0.71073","MoKα","","0.0678","0.0424","","","0.1039","0.1162","","","","","","0.972","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029311","14.8608","0.0005","7.7619","0.0003","17.4366","0.0006","90","","106.782","0.001","90","","1925.62","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl2 N2 O2 -","- C22 H18 Cl2 N2 O2 -","- C88 H72 Cl8 N8 O8 -","4","1","","Wang, Chengjin; Xing, Dong; Wang, Dongwei; Wu, Xiang; Hu, Wenhao","Synthesis of 3-Amino-3-hydroxymethyloxindoles and 3-Hydroxy-3-hydroxymethyloxindoles by Rh2(OAc)4-Catalyzed Three-Component Reactions of 3-Diazooxindoles with Formaldehyde and Anilines or Water.","The Journal of organic chemistry","2014","79","9","3908","3916","10.1021/jo500307n","","","0.71073","MoKα","","0.0622","0.0458","","","0.1269","0.1416","","","","","","1.061","","","","has coordinates,has disorder","178472","2020-10-21","18:00:00",""
"4029312","12.3796","0.0015","10.5493","0.0015","11.3168","0.0013","90","","106.991","0.008","90","","1413.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Ghosh, Priya; Saha, Pipas; Bondalapati, Somasekhar; Indukuri, Kiran; Saikia, Anil K.","Lewis Acid Mediated Intramolecular C-C Bond Formation of Alkyne-Epoxide Leading to Six-Membered Nitrogen and Oxygen Heterocycles.","The Journal of organic chemistry","2014","79","9","4119","4124","10.1021/jo402550e","","","0.71073","MoKα","","0.0752","0.0448","","","0.1138","0.1295","","","","","","1.008","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029313","5.587","0.002","18.446","0.007","17.936","0.007","90","","97.283","0.008","90","","1833.5","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(3-Phenyl-3-oxoprop-1-ynyl)-N-phenyl-4-tolylsulfonamide","","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C88 H68 N4 O12 S4 -","4","1","","Zhang, Peng; Cook, Andrea M.; Liu, Yang; Wolf, Christian","Copper(I)-Catalyzed Nucleophilic Addition of Ynamides to Acyl Chlorides and Activated N-Heterocycles.","The Journal of organic chemistry","2014","79","9","4167","4173","10.1021/jo500365h","","","0.71073","MoKα","","0.0428","0.0369","","","0.097","0.1015","","","","","","0.995","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029314","12.8822","0.0017","9.5928","0.0013","22.444","0.003","90","","103.587","0.002","90","","2695.9","0.6","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 N2 O7 -","- C12 H14 N2 O7 -","- C96 H112 N16 O56 -","8","4","","Pandey, Anil K.; Yap, Glenn P. A.; Zondlo, Neal J.","(2S,4R)-4-Hydroxyproline(4-nitrobenzoate): Strong Induction of Stereoelectronic Effects via a Readily Synthesized Proline Derivative. Crystallographic Observation of a Correlation between Torsion Angle and Bond Length in a Hyperconjugative Interaction.","The Journal of organic chemistry","2014","79","9","4174","4179","10.1021/jo500367d","","","0.71073","MoKα","","0.0712","0.0437","","","0.0906","0.1039","","","","","","1.011","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029315","12.221","0.002","6.0654","0.0011","13.752","0.002","90","","96.378","0.003","90","","1013.1","0.3","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C14 H27 F2 N O6 S -","- C14 H27 F2 N O6 S -","- C28 H54 F4 N2 O12 S2 -","2","1","","Fontenelle, Clément Q; Conroy, Matthew; Light, Mark; Poisson, Thomas; Pannecoucke, Xavier; Linclau, Bruno","Stereoselectivity of the Honda-Reformatsky Reaction in Reactions with Ethyl Bromodifluoroacetate with α-Oxygenated Sulfinylimines.","The Journal of organic chemistry","2014","79","9","4186","4195","10.1021/jo500396p","","x-ray","0.71073","MoKα","","0.0524","0.0497","","","0.136","0.1397","","","","","","1.078","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029316","5.742","0.004","17.689","0.011","6.193","0.004","90","","100.655","0.014","90","","618.2","0.7","100","2","100","2","","","","","","","Clement Fontenelle","6","P 1 21 1","P 2yb","4","","","","- C9 H17 F2 N O3 S -","- C9 H17 F2 N O3 S -","- C18 H34 F4 N2 O6 S2 -","2","1","","Fontenelle, Clément Q; Conroy, Matthew; Light, Mark; Poisson, Thomas; Pannecoucke, Xavier; Linclau, Bruno","Stereoselectivity of the Honda-Reformatsky Reaction in Reactions with Ethyl Bromodifluoroacetate with α-Oxygenated Sulfinylimines.","The Journal of organic chemistry","2014","79","9","4186","4195","10.1021/jo500396p","","","0.71073","MoKα","","0.0246","0.0244","","","0.0659","0.0662","","","","","","1.032","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029317","8.329","0.006","9.292","0.007","23.43","0.016","90","","90","","90","","1813","2","100","2","100","2","","","","","","","Clement Fontenelle","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 F2 N O5 S -","- C14 H25 F2 N O5 S -","- C56 H100 F8 N4 O20 S4 -","4","1","","Fontenelle, Clément Q; Conroy, Matthew; Light, Mark; Poisson, Thomas; Pannecoucke, Xavier; Linclau, Bruno","Stereoselectivity of the Honda-Reformatsky Reaction in Reactions with Ethyl Bromodifluoroacetate with α-Oxygenated Sulfinylimines.","The Journal of organic chemistry","2014","79","9","4186","4195","10.1021/jo500396p","","","0.71073","MoKα","","0.0632","0.0555","","","0.123","0.1299","","","","","","1.096","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029318","6.494","0.0003","10.683","0.0005","19.0024","0.001","91.402","0.004","91.845","0.004","102.929","0.004","1283.53","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H32 N4 Pd -","- C33 H32 N4 Pd -","- C66 H64 N8 Pd2 -","2","1","","Li, Ruoshi; Lammer, Aaron D.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis, Structural Characterization, Aromatic Characteristics, and Metalation of Neo-Confused Porphyrins, a Newly Discovered Class of Porphyrin Isomers.","The Journal of organic chemistry","2014","79","9","4078","4093","10.1021/jo500580e","","","0.71073","MoKα","","0.0926","0.0465","","","","0.0966","","","","","","0.959","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029319","8.1266","0.0004","10.9322","0.0006","14.5533","0.0008","105.58","0.004","91.632","0.004","97.148","0.004","1233.16","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N4 O2 Pd -","- C30 H30 N4 O2 Pd -","- C60 H60 N8 O4 Pd2 -","2","1","","Li, Ruoshi; Lammer, Aaron D.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis, Structural Characterization, Aromatic Characteristics, and Metalation of Neo-Confused Porphyrins, a Newly Discovered Class of Porphyrin Isomers.","The Journal of organic chemistry","2014","79","9","4078","4093","10.1021/jo500580e","","","0.71073","MoKα","","0.0793","0.0481","","","","0.1212","","","","","","1.017","","","","has coordinates,has disorder","178472","2020-10-21","18:00:00",""
"4029320","8.1062","0.0002","10.8971","0.0003","28.0896","0.0008","83.679","0.002","85.737","0.002","82.79","0.002","2442.07","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N4 Ni O2 -","- C30 H30 N4 Ni O2 -","- C120 H120 N16 Ni4 O8 -","4","2","","Li, Ruoshi; Lammer, Aaron D.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis, Structural Characterization, Aromatic Characteristics, and Metalation of Neo-Confused Porphyrins, a Newly Discovered Class of Porphyrin Isomers.","The Journal of organic chemistry","2014","79","9","4078","4093","10.1021/jo500580e","","","0.71073","MoKα","","0.0781","0.0407","","","","0.1008","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029321","10.6439","0.0003","11.4507","0.0003","12.7871","0.0004","88.093","0.002","67.922","0.001","64.645","0.002","1289.84","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H34 N4 -","- C33 H34 N4 -","- C66 H68 N8 -","2","1","","Li, Ruoshi; Lammer, Aaron D.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis, Structural Characterization, Aromatic Characteristics, and Metalation of Neo-Confused Porphyrins, a Newly Discovered Class of Porphyrin Isomers.","The Journal of organic chemistry","2014","79","9","4078","4093","10.1021/jo500580e","","","0.71073","MoKα","","0.0783","0.0459","","","","0.1292","","","","","","1.015","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029322","8.3186","0.0007","12.4731","0.001","19.1532","0.0016","90","","90","","90","","1987.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C84 H120 N8 O16 -","4","1","","Rallapalli, Sundari K.; Namjoshi, Ojas A.; Tiruveedhula, V. V. N. Phani Babu; Deschamps, Jeffrey R.; Cook, James M.","Stereospecific Total Synthesis of the Indole Alkaloid Ervincidine. Establishment of the C-6 Hydroxyl Stereochemistry.","The Journal of organic chemistry","2014","79","9","3776","3780","10.1021/jo402692u","","","0.71073","MoKα","","0.0367","0.0356","","","0.1041","0.1055","","","","","","1.103","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029323","9.6247","0.0004","11.6485","0.0005","13.7072","0.0005","90","","90","","90","","1536.76","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Rallapalli, Sundari K.; Namjoshi, Ojas A.; Tiruveedhula, V. V. N. Phani Babu; Deschamps, Jeffrey R.; Cook, James M.","Stereospecific Total Synthesis of the Indole Alkaloid Ervincidine. Establishment of the C-6 Hydroxyl Stereochemistry.","The Journal of organic chemistry","2014","79","9","3776","3780","10.1021/jo402692u","","","0.71073","MoKα","","0.056","0.0441","","","0.112","0.1197","","","","","","1.051","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029324","34.473","0.004","5.5047","0.0004","17.7523","0.0017","90","","101.619","0.01","90","","3299.7","0.6","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,6,7-Triphenyl-5-oxa-1-azabicyclo[4.1.0]hept-3-en-2-one","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C184 H136 N8 O16 -","8","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Pakalnis, Viktoriia V.; Iakovenko, Roman O.; Yufit, Dmitry S.","Domino reactions of 2H-azirines with acylketenes from furan-2,3-diones: Competition between the formation of ortho-fused and bridged heterocyclic systems.","Beilstein journal of organic chemistry","2014","10","","784","793","10.3762/bjoc.10.74","","","0.7107","MoKα","Mo","0.189","0.0737","","","0.0951","0.1376","","","","","","0.902","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029325","12.1236","0.0005","18.2526","0.0007","13.4793","0.0005","90","","103.738","0.004","90","","2897.5","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(6aRS,12aRS)-6a,12a-Bis(4-methoxyphenyl)-2,8-diphenyl-6,6a,12,12a-tetrahydrobis- [1,3]oxazino[3,2-a:3',2'-d]pyrazine-4,10-dione","","- C36 H30 N2 O6 -","- C36 H30 N2 O6 -","- C144 H120 N8 O24 -","4","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Pakalnis, Viktoriia V.; Iakovenko, Roman O.; Yufit, Dmitry S.","Domino reactions of 2H-azirines with acylketenes from furan-2,3-diones: Competition between the formation of ortho-fused and bridged heterocyclic systems.","Beilstein journal of organic chemistry","2014","10","","784","793","10.3762/bjoc.10.74","","","0.7107","MoKα","Mo","0.0981","0.0567","","","0.1074","0.1284","","","","","","1.043","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029326","14.56","0.0005","17.9642","0.0006","17.1799","0.0006","90","","105.85","0.001","90","","4322.7","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,6,8-Triphenyl-5,7-dioxa-1-azabicyclo[4.4.1]undeca-3,8-diene-2,10-dione","","- C26 H19 N O4 -","- C26 H19 N O4 -","- C208 H152 N8 O32 -","8","2","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Pakalnis, Viktoriia V.; Iakovenko, Roman O.; Yufit, Dmitry S.","Domino reactions of 2H-azirines with acylketenes from furan-2,3-diones: Competition between the formation of ortho-fused and bridged heterocyclic systems.","Beilstein journal of organic chemistry","2014","10","","784","793","10.3762/bjoc.10.74","","x-ray","1.54178","CuKα","K-L~3~","0.0704","0.044","","","0.0993","0.1073","","","","","","0.991","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029327","8.062","0.0005","16.422","0.001","16.717","0.001","90","","90","","90","","2213.2","0.2","123","2","123","2","","","","","","","","2","P 21 c a","P -2ac 2a","29","","","","- C37 H20 -","- C37 H20 -","- C148 H80 -","4","1","","Shrestha, Binod Babu; Higashibayashi, Shuhei; Sakurai, Hidehiro","Columnar/herringbone dual crystal packing of pyrenylsumanene and its photophysical properties.","Beilstein journal of organic chemistry","2014","10","","841","847","10.3762/bjoc.10.80","","","0.71069","MoKα","","0.1684","0.0639","","","0.1308","0.1715","","","","","","0.933","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029328","16.9949","0.0018","21.083","0.002","7.3381","0.0008","90","","90","","90","","2629.3","0.5","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","1","","Sun, Ning; Chen, Ming; Liu, Yuanhong","Gold-Catalyzed Oxidative Reactions of Propargylic Carbonates Involving 1,2-Carbonate Migration: Stereoselective Synthesis of Functionalized Alkenes.","The Journal of organic chemistry","2014","79","9","4055","4067","10.1021/jo500573s","","","0.71073","MoKα","","0.0695","0.0476","","","0.1242","0.1373","","","","","","1.056","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029329","15.191","0.002","7.0358","0.001","16.337","0.002","90","","115.321","0.003","90","","1578.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","Sun, Ning; Chen, Ming; Liu, Yuanhong","Gold-Catalyzed Oxidative Reactions of Propargylic Carbonates Involving 1,2-Carbonate Migration: Stereoselective Synthesis of Functionalized Alkenes.","The Journal of organic chemistry","2014","79","9","4055","4067","10.1021/jo500573s","","","0.71073","MoKα","","0.0626","0.053","","","0.1383","0.1477","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029330","23.655","0.003","9.7505","0.001","15.4692","0.0016","90","","126.057","0.002","90","","2884.4","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","1","","Sun, Ning; Chen, Ming; Liu, Yuanhong","Gold-Catalyzed Oxidative Reactions of Propargylic Carbonates Involving 1,2-Carbonate Migration: Stereoselective Synthesis of Functionalized Alkenes.","The Journal of organic chemistry","2014","79","9","4055","4067","10.1021/jo500573s","","","0.71073","MoKα","","0.0503","0.0414","","","0.1125","0.1195","","","","","","1.058","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029331","8.078","0.003","12.824","0.003","13.714","0.004","113.32","0.02","98.37","0.02","95.61","0.03","1271.7","0.7","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H24 N2 -","- C39 H24 N2 -","- C78 H48 N4 -","2","1","","Zheng, Liyao; Hua, Ruimao","Modular Assembly of Ring-Fused and π-Extended Phenanthroimidazoles via C-H Activation and Alkyne Annulation.","The Journal of organic chemistry","2014","79","9","3930","3936","10.1021/jo500401n","","","0.71073","MoKα","","0.0726","0.045","","","0.0854","0.0937","","","","","","1.05","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029332","9.635","0.0016","10.0387","0.0016","12.277","0.0019","83.666","0.008","88.781","0.009","89.717","0.008","1179.9","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H22 N2 -","- C35 H22 N2 -","- C70 H44 N4 -","2","1","","Zheng, Liyao; Hua, Ruimao","Modular Assembly of Ring-Fused and π-Extended Phenanthroimidazoles via C-H Activation and Alkyne Annulation.","The Journal of organic chemistry","2014","79","9","3930","3936","10.1021/jo500401n","","","0.71073","MoKα","","0.07","0.0446","","","0.0847","0.0941","","","","","","1.032","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029333","12.4433","0.0019","14.26","0.002","15.249","0.002","68.103","0.009","67.336","0.011","70.436","0.009","2258.3","0.6","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H24 N2 O -","- C31 H24 N2 O -","- C124 H96 N8 O4 -","4","2","","Zheng, Liyao; Hua, Ruimao","Modular Assembly of Ring-Fused and π-Extended Phenanthroimidazoles via C-H Activation and Alkyne Annulation.","The Journal of organic chemistry","2014","79","9","3930","3936","10.1021/jo500401n","","","0.71073","MoKα","","0.1189","0.063","","","0.1135","0.1443","","","","","","1.037","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029334","9.114","0.003","9.534","0.003","11.901","0.003","96.66","0.02","99.74","0.03","93.8","0.02","1008.4","0.5","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C60 H40 N4 -","2","1","","Zheng, Liyao; Hua, Ruimao","Modular Assembly of Ring-Fused and π-Extended Phenanthroimidazoles via C-H Activation and Alkyne Annulation.","The Journal of organic chemistry","2014","79","9","3930","3936","10.1021/jo500401n","","","0.71073","MoKα","","0.0575","0.0423","","","0.1349","0.141","","","","","","1.017","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029335","10.976","0.004","9.914","0.004","15.781","0.006","90","","103.62","0.005","90","","1668.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Sun, Jinwei; Wang, Fuyao; Hu, Huayou; Wang, Xiangshan; Wu, Hui; Liu, Yun","Copper(II)-Catalyzed Carbon-Carbon Triple Bond Cleavage of Internal Alkynes for the Synthesis of Annulated Indolizines.","The Journal of organic chemistry","2014","79","9","3992","3998","10.1021/jo500456d","","","0.71073","MoKα","","0.1301","0.067","","","0.1772","0.2202","","","","","","0.992","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029336","5.817","0.0002","34.7466","0.001","9.9049","0.0003","90","","101.37","0.001","90","","1962.7","0.11","120","2","120","2","","","","","","","Pedro Cintas","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O3 S -","- C23 H19 N3 O3 S -","- C92 H76 N12 O12 S4 -","4","1","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.; Porro, Rocío","Stepwise Formation of 1,3-Diazolium-4-thiolates by Münchnone Cycloadditions: Promising Candidates for Nonlinear Optics.","The Journal of organic chemistry","2014","79","9","4201","4205","10.1021/jo500349g","","","0.71073","MoKα","","0.0602","0.0404","","","0.108","0.121","","","","","","0.989","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4029337","12.2636","0.0001","9.7059","0.0001","18.4895","0.0002","90","","101.565","0.001","90","","2156.11","0.04","120","2","120","2","","","","","","","Pedro Cintas","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O4 S -","- C24 H21 N3 O4 S -","- C96 H84 N12 O16 S4 -","4","1","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.; Porro, Rocío","Stepwise Formation of 1,3-Diazolium-4-thiolates by Münchnone Cycloadditions: Promising Candidates for Nonlinear Optics.","The Journal of organic chemistry","2014","79","9","4201","4205","10.1021/jo500349g","","","0.71073","MoKα","","0.0446","0.0381","","","0.088","0.0927","","","","","","1.023","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029338","9.8381","0.0008","10.4824","0.0009","12.5322","0.0011","74.656","0.001","74.429","0.001","71.299","0.001","1156.45","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C56 H52 N4 O8 -","2","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0911","0.0455","","","0.0994","0.1196","","","","","","1.027","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029339","9.3468","0.0004","14.5715","0.0006","16.6456","0.0006","90","","105.26","0.001","90","","2187.15","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Br2 N2 O2 -","- C26 H20 Br2 N2 O2 -","- C104 H80 Br8 N8 O8 -","4","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0294","0.0236","","","0.0561","0.0581","","","","","","1.019","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029340","8.6359","0.0003","12.0457","0.0005","19.5543","0.0008","90","","90","","90","","2034.15","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N O4 -","- C26 H21 N O4 -","- C104 H84 N4 O16 -","4","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0427","0.0381","","","0.0992","0.1034","","","","","","1.036","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029341","10.8929","0.0006","8.6496","0.0005","21.3698","0.0013","90","","95.896","0.001","90","","2002.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 N O2 -","- C28 H19 N O2 -","- C112 H76 N4 O8 -","4","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0575","0.0394","","","0.0947","0.105","","","","","","1.029","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029342","9.765","0.0004","11.9476","0.0005","12.3011","0.0005","113.172","0.001","101.293","0.001","106.109","0.001","1189.59","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C64 H48 N4 O4 -","2","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0463","0.0396","","","0.1018","0.1076","","","","","","1.03","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029343","8.502","0.0003","11.6522","0.0004","17.4372","0.0006","104.952","0.001","92.109","0.001","98.182","0.001","1647.09","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H33 N3 O2 -","- C44 H33 N3 O2 -","- C88 H66 N6 O4 -","2","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0456","0.0393","","","0.1005","0.1058","","","","","","1.034","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029344","8.7939","0.0004","9.6279","0.0004","12.566","0.0006","76.008","0.001","78.669","0.001","85.631","0.001","1011.77","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C52 H44 N4 O4 -","2","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0458","0.0394","","","0.102","0.1082","","","","","","1.04","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029345","10.0356","0.0004","12.8316","0.0005","16.3402","0.0007","80.535","0.001","80.757","0.001","74.556","0.001","1985.42","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","2","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.052","0.0398","","","0.0985","0.1077","","","","","","1.018","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029346","8.1852","0.0004","8.4437","0.0004","16.921","0.0009","97.887","0.001","93.333","0.001","111.291","0.001","1071.93","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 N O4 -","- C28 H19 N O4 -","- C56 H38 N2 O8 -","2","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0479","0.0375","","","0.0929","0.1005","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029347","20.109","0.002","12.9225","0.0009","12.0941","0.0008","90","","90","","90","","3142.8","0.4","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C38 H30 N6 -","- C38 H30 N6 -","- C152 H120 N24 -","4","1","","Jiang, Bo; Ning, Yi; Fan, Wei; Tu, Shu-Jiang; Li, Guigen","Oxidative Dehydrogenative Couplings of Pyrazol-5-amines Selectively Forming Azopyrroles.","The Journal of organic chemistry","2014","79","9","4018","4024","10.1021/jo5004967","","","0.71073","MoKα","","0.1518","0.0579","","","0.125","0.1896","","","","","","1.074","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029348","8.4458","0.0004","10.7913","0.0005","11.4138","0.0006","90","","91.973","0.001","90","","1039.65","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 I2 N6 -","- C20 H16 I2 N6 -","- C40 H32 I4 N12 -","2","0.5","","Jiang, Bo; Ning, Yi; Fan, Wei; Tu, Shu-Jiang; Li, Guigen","Oxidative Dehydrogenative Couplings of Pyrazol-5-amines Selectively Forming Azopyrroles.","The Journal of organic chemistry","2014","79","9","4018","4024","10.1021/jo5004967","","","0.71073","MoKα","","0.033","0.0291","","","0.0708","0.074","","","","","","1.088","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029349","13.9947","0.0011","5.8914","0.0004","15.0886","0.0011","90","","97.064","0.005","90","","1234.59","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H24 Cl N O6 S -","- C26 H24 Cl N O6 S -","- C52 H48 Cl2 N2 O12 S2 -","2","1","","Arakawa, Yukihiro; Fritz, Sven P.; Wennemers, Helma","Organocatalytic Stereoselective Synthesis of Acyclic γ-Nitrothioesters with All-Carbon Quaternary Stereogenic Centers.","The Journal of organic chemistry","2014","79","9","3937","3945","10.1021/jo500403q","","","0.71073","MoKα","","0.0676","0.0446","","","0.0815","0.0886","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029350","5.7422","0.0007","10.5827","0.0011","28.156","0.003","90","","90","","90","","1711","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C72 H76 N4 O16 S4 -","4","1","","Arakawa, Yukihiro; Fritz, Sven P.; Wennemers, Helma","Organocatalytic Stereoselective Synthesis of Acyclic γ-Nitrothioesters with All-Carbon Quaternary Stereogenic Centers.","The Journal of organic chemistry","2014","79","9","3937","3945","10.1021/jo500403q","","","0.71073","MoKα","","0.1205","0.1046","","","0.2495","0.2534","","","","","","2.045","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029351","10.069","0.005","5.823","0.003","17.107","0.008","90","","106.319","0.017","90","","962.6","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H18 Cl N O4 S -","- C18 H18 Cl N O4 S -","- C36 H36 Cl2 N2 O8 S2 -","2","1","","Arakawa, Yukihiro; Fritz, Sven P.; Wennemers, Helma","Organocatalytic Stereoselective Synthesis of Acyclic γ-Nitrothioesters with All-Carbon Quaternary Stereogenic Centers.","The Journal of organic chemistry","2014","79","9","3937","3945","10.1021/jo500403q","","","0.71073","MoKα","","0.0665","0.0425","","","0.072","0.0775","","","","","","1.179","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029352","7.7315","0.0006","14.3537","0.0011","26.576","0.002","90","","90","","90","","2949.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Br N2 O3 -","- C15 H17 Br N2 O3 -","- C120 H136 Br8 N16 O24 -","8","2","","Boucherif, Amina; Yang, Qing-Qing; Wang, Qiang; Chen, Jia-Rong; Lu, Liang-Qiu; Xiao, Wen-Jing","Enantio- and Diastereoselective Synthesis of Spiro-epoxyoxindoles.","The Journal of organic chemistry","2014","79","9","3924","3929","10.1021/jo5003856","","","0.71073","MoKα","","0.0387","0.031","","","0.0642","0.0764","","","","","","0.991","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029353","3.8592","0.0003","8.4044","0.0011","12.5408","0.0016","87.517","0.01","85.342","0.009","81.578","0.009","400.83","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 N4 S -","- C7 H6 N4 S -","- C14 H12 N8 S2 -","2","1","","Koyioni, Maria; Manoli, Maria; Manolis, Manos J.; Koutentis, Panayiotis A.","Reinvestigating the Reaction of 1H-Pyrazol-5-amines with 4,5-Dichloro-1,2,3-dithiazolium Chloride: A Route to Pyrazolo[3,4-c]isothiazoles and Pyrazolo[3,4-d]thiazoles.","The Journal of organic chemistry","2014","79","9","4025","4037","10.1021/jo500509e","","","0.71073","MoKα","","0.0604","0.0508","","","0.1362","0.1434","","","","","","0.903","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029354","34.721","0.005","4.0036","0.0005","14.975","0.002","90","","100.148","0.013","90","","2049.1","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl2 N8 S5 -","- C14 H12 Cl2 N8 S5 -","- C56 H48 Cl8 N32 S20 -","4","0.5","","Koyioni, Maria; Manoli, Maria; Manolis, Manos J.; Koutentis, Panayiotis A.","Reinvestigating the Reaction of 1H-Pyrazol-5-amines with 4,5-Dichloro-1,2,3-dithiazolium Chloride: A Route to Pyrazolo[3,4-c]isothiazoles and Pyrazolo[3,4-d]thiazoles.","The Journal of organic chemistry","2014","79","9","4025","4037","10.1021/jo500509e","","","0.71073","MoKα","","0.0764","0.0623","","","0.1725","0.1812","","","","","","1.035","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029355","10.449","0.0004","12.6255","0.0008","21.3511","0.0009","97.143","0.004","92.352","0.003","93.441","0.004","2786.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cl3 N9 S5 -","- C16 H14 Cl3 N9 S5 -","- C64 H56 Cl12 N36 S20 -","4","2","","Koyioni, Maria; Manoli, Maria; Manolis, Manos J.; Koutentis, Panayiotis A.","Reinvestigating the Reaction of 1H-Pyrazol-5-amines with 4,5-Dichloro-1,2,3-dithiazolium Chloride: A Route to Pyrazolo[3,4-c]isothiazoles and Pyrazolo[3,4-d]thiazoles.","The Journal of organic chemistry","2014","79","9","4025","4037","10.1021/jo500509e","","","0.71073","MoKα","","0.124","0.0824","","","0.2259","0.2523","","","","","","1","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029356","10.4838","0.0012","14.518","0.002","15.9147","0.0018","79.164","0.011","73.907","0.01","71.712","0.011","2196.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 N2 O -","- C30 H20 N2 O -","- C120 H80 N8 O4 -","4","2","","Allu, Srinivasarao; Swamy, K. C. Kumara","Ruthenium-Catalyzed Synthesis of Isoquinolones with 8-Aminoquinoline as a Bidentate Directing Group in C-H Functionalization.","The Journal of organic chemistry","2014","79","9","3963","3972","10.1021/jo500424p","","","0.71073","MoKα","","0.1454","0.0597","","","0.0999","0.1321","","","","","","0.961","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029357","13.1006","0.0016","14.6841","0.0017","8.7923","0.0008","90","","100.348","0.009","90","","1663.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","","Allu, Srinivasarao; Swamy, K. C. Kumara","Ruthenium-Catalyzed Synthesis of Isoquinolones with 8-Aminoquinoline as a Bidentate Directing Group in C-H Functionalization.","The Journal of organic chemistry","2014","79","9","3963","3972","10.1021/jo500424p","","","0.71073","MoKα","","0.0782","0.0464","","","0.1039","0.1201","","","","","","1.013","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029358","7.4501","0.0015","8.7551","0.0018","14.931","0.003","95.2","0.03","98.89","0.03","103.19","0.03","928.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C50 H36 N4 O2 -","2","1","","Allu, Srinivasarao; Swamy, K. C. Kumara","Ruthenium-Catalyzed Synthesis of Isoquinolones with 8-Aminoquinoline as a Bidentate Directing Group in C-H Functionalization.","The Journal of organic chemistry","2014","79","9","3963","3972","10.1021/jo500424p","","","0.71073","MoKα","","0.0578","0.0494","","","0.1362","0.1434","","","","","","1.035","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029359","9.5537","0.0015","16.927","0.003","15.612","0.003","90","","105.52","0.003","90","","2432.6","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 N3 O3 -","- C31 H21 N3 O3 -","- C124 H84 N12 O12 -","4","1","","Allu, Srinivasarao; Swamy, K. C. Kumara","Ruthenium-Catalyzed Synthesis of Isoquinolones with 8-Aminoquinoline as a Bidentate Directing Group in C-H Functionalization.","The Journal of organic chemistry","2014","79","9","3963","3972","10.1021/jo500424p","","","0.71073","MoKα","","0.1581","0.0736","","","0.1892","0.2303","","","","","","1.027","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029360","7.8508","0.0002","15.8682","0.0004","18.2984","0.0004","90","","90","","90","","2279.58","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 Cl N2 O Ru -","- C26 H25 Cl N2 O Ru -","- C104 H100 Cl4 N8 O4 Ru4 -","4","1","","Allu, Srinivasarao; Swamy, K. C. Kumara","Ruthenium-Catalyzed Synthesis of Isoquinolones with 8-Aminoquinoline as a Bidentate Directing Group in C-H Functionalization.","The Journal of organic chemistry","2014","79","9","3963","3972","10.1021/jo500424p","","","1.54184","CuKα","","0.0351","0.034","","","0.0905","0.0915","","","","","","1.039","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029361","9.561","0.004","10.152","0.004","21.593","0.009","90","","96.807","0.009","90","","2081.1","1.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 N2 O3 -","- C9 H16 N2 O3 -","- C72 H128 N16 O24 -","8","2","","Zhou, Jing; Yeung, Ying-Yeung","Synthesis of Reboxetine Intermediate and Carnitine Acetyltransferase Inhibitor via NBS-Induced Electrophilic Multicomponent Reaction.","The Journal of organic chemistry","2014","79","10","4644","4649","10.1021/jo500609a","","","0.71073","MoKα","","0.0944","0.0594","","","0.1359","0.1515","","","","","","1.027","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029362","7.3876","0.0011","9.7133","0.0014","10.4673","0.0015","103.383","0.003","104.427","0.003","104.585","0.003","668.4","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H13 Cl N2 O5 S -","- C11 H13 Cl N2 O5 S -","- C22 H26 Cl2 N4 O10 S2 -","2","1","","Zhou, Jing; Yeung, Ying-Yeung","Synthesis of Reboxetine Intermediate and Carnitine Acetyltransferase Inhibitor via NBS-Induced Electrophilic Multicomponent Reaction.","The Journal of organic chemistry","2014","79","10","4644","4649","10.1021/jo500609a","","","0.71073","MoKα","","0.0522","0.0482","","","0.1188","0.1214","","","","","","1.091","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029363","9.038","0.003","12.131","0.005","9.119","0.004","90","","113.364","0.006","90","","917.8","0.6","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H16 Cl N3 O -","- C22 H16 Cl N3 O -","- C44 H32 Cl2 N6 O2 -","2","1","","Wang, Ying-Chun; Xie, Yu-Yang; Qu, Hong-En; Wang, Heng-Shan; Pan, Ying-Ming; Huang, Fu-Ping","Ce(OTf)3-Catalyzed [3 + 2] Cycloaddition of Azides with Nitroolefins: Regioselective Synthesis of 1,5-Disubstituted 1,2,3-Triazoles.","The Journal of organic chemistry","2014","79","10","4463","4469","10.1021/jo5004339","","","0.71073","MoKα","","0.0716","0.0694","","","0.2078","0.2093","","","","","","1.117","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029364","26.329","0.007","10.877","0.003","18.902","0.005","90","","102.757","0.004","90","","5280","2","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C240 H208 N48 O16 -","16","4","","Wang, Ying-Chun; Xie, Yu-Yang; Qu, Hong-En; Wang, Heng-Shan; Pan, Ying-Ming; Huang, Fu-Ping","Ce(OTf)3-Catalyzed [3 + 2] Cycloaddition of Azides with Nitroolefins: Regioselective Synthesis of 1,5-Disubstituted 1,2,3-Triazoles.","The Journal of organic chemistry","2014","79","10","4463","4469","10.1021/jo5004339","","","0.71073","MoKα","","0.1978","0.1354","","","0.3338","0.3702","","","","","","1.193","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4029365","21.423","0.0006","9.312","0.0003","25.48","0.0009","90","","101.743","0.0011","90","","4976.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51.5 H57 D6 N7 O9.5 -","- C51.5 H57 D6 N7 O9.5 -","- C206 H228 D24 N28 O38 -","4","1","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","0.71073","MoKα","","0.1408","0.0733","","","0.1741","0.2192","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029366","9.6099","0.0004","14.0444","0.0006","14.4849","0.0005","90","","98.63","0.003","90","","1932.82","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H58 N8 O10 -","- C30 H58 N8 O10 -","- C60 H116 N16 O20 -","2","1","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","1.54178","CuKα","","0.0408","0.038","","","0.1021","0.1039","","","","","","1.065","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029367","8.939","0.0002","15.0463","0.0003","64.8154","0.0011","90","","90","","90","","8717.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H62 N8 O11 -","- C36 H60 N8 O11 -","- C288 H480 N64 O88 -","8","2","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","1.54178","CuKα","","0.0608","0.0566","","","0.146","0.149","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029368","16.7586","0.0003","11.7537","0.0002","17.0863","0.0003","90","","94.951","0.001","90","","3353.03","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H49 N7 O9 -","- C26 H48 N7 O9 -","- C104 H192 N28 O36 -","4","2","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","1.54178","CuKα","","0.061","0.0522","","","0.1409","0.147","","","","","","1.05","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029369","8.186","0.003","18.89","0.006","22.446","0.007","90","","90","","90","","3471","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 N6 O7 -","- C32 H50 N6 O7 -","- C128 H200 N24 O28 -","4","1","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","0.71073","MoKα","","0.0983","0.0889","","","0.1939","0.1986","","","","","","1.198","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029370","11.5859","0.0005","9.585","0.0004","16.5938","0.0008","90","","108.615","0.002","90","","1746.35","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H52 N8 O8 -","- C27 H52 N8 O8 -","- C54 H104 N16 O16 -","2","1","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","1.54178","CuKα","","0.0476","0.0447","","","0.1186","0.1204","","","","","","1.117","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029371","11.357","0.002","16.271","0.003","18.895","0.004","80.846","0.004","87.004","0.004","89.866","0.004","3442.4","1.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H46 N6 O7 -","- C33 H46 N6 O7 -","- C132 H184 N24 O28 -","4","4","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","0.71073","MoKα","","0.0952","0.0513","","","0.0967","0.1082","","","","","","0.872","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029372","10.3831","0.0006","13.0198","0.0005","13.2997","0.0006","81.765","0.003","78.203","0.004","70.812","0.004","1656.55","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H26 N2 S2 -","- C46 H26 N2 S2 -","- C92 H52 N4 S4 -","2","1","","Li, Junbo; Li, Peizhou; Wu, Jiansheng; Gao, Junkuo; Xiong, Wei-Wei; Zhang, Guodong; Zhao, Yanli; Zhang, Qichun","[4 + 2] Cycloaddition Reaction To Approach Diazatwistpentacenes: Synthesis, Structures, Physical Properties, and Self-assembly.","The Journal of organic chemistry","2014","79","10","4438","4445","10.1021/jo500400d","","","1.54178","CuKα","","0.0585","0.0467","","","0.1391","0.1528","","","","","","1.046","","","","has coordinates,has disorder","205842","2020-10-21","18:00:00",""
"4029373","26.9975","0.0006","14.9487","0.0003","16.8201","0.0004","90","","99.47","0.002","90","","6695.7","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H28 N4 -","- C48 H28 N4 -","- C384 H224 N32 -","8","1","","Li, Junbo; Li, Peizhou; Wu, Jiansheng; Gao, Junkuo; Xiong, Wei-Wei; Zhang, Guodong; Zhao, Yanli; Zhang, Qichun","[4 + 2] Cycloaddition Reaction To Approach Diazatwistpentacenes: Synthesis, Structures, Physical Properties, and Self-assembly.","The Journal of organic chemistry","2014","79","10","4438","4445","10.1021/jo500400d","","","1.54178","CuKα","","0.0546","0.0428","","","0.1146","0.128","","","","","","1.028","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029374","10.9885","0.0004","11.6518","0.0004","15.3264","0.0006","85.393","0.003","89.268","0.003","73.761","0.003","1877.85","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H32 Cl2 N2 -","- C51 H32 Cl2 N2 -","- C102 H64 Cl4 N4 -","2","1","","Li, Junbo; Li, Peizhou; Wu, Jiansheng; Gao, Junkuo; Xiong, Wei-Wei; Zhang, Guodong; Zhao, Yanli; Zhang, Qichun","[4 + 2] Cycloaddition Reaction To Approach Diazatwistpentacenes: Synthesis, Structures, Physical Properties, and Self-assembly.","The Journal of organic chemistry","2014","79","10","4438","4445","10.1021/jo500400d","","","1.54178","CuKα","","0.0912","0.0798","","","0.2375","0.2585","","","","","","1.037","","","","has coordinates","205842","2020-10-21","18:00:00",""
"4029375","7.1652","0.0003","12.6049","0.0005","16.4098","0.0008","90","","90","","90","","1482.08","0.11","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O3 -","- C17 H14 Cl N O3 -","- C68 H56 Cl4 N4 O12 -","4","1","","Wu, Xiang; Li, Ming-Li; Chen, Dian-Feng; Chen, Shu-Sen","Enantioselective construction of [6,5,6]-carbocyclic systems by organo/metal-catalyzed sequential reactions.","The Journal of organic chemistry","2014","79","10","4743","4750","10.1021/jo5006729","","","0.71073","MoKα","","0.0372","0.0336","","","0.0795","0.0821","","","","","","1.05","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029376","19.234","0.002","5.6695","0.0007","10.7313","0.0013","90","","90","","90","","1170.2","0.2","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Shimizu, Tomoaki; Koya, Shunsuke; Yamasaki, Ryu; Mutoh, Yuichiro; Azumaya, Isao; Katagiri, Kosuke; Saito, Shinichi","Acid-Mediated Ring-Expansion Reaction of N-Aryl-2-vinylazetidines: Synthesis and Unanticipated Reactivity of Tetrahydrobenzazocines.","The Journal of organic chemistry","2014","79","10","4367","4377","10.1021/jo500249c","","","0.71073","MoKα","","0.0291","0.0277","","","0.0692","0.0703","","","","","","1.058","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029377","11.401","0.003","12","0.003","8.479","0.002","90","","92.305","0.002","90","","1159.1","0.5","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Shimizu, Tomoaki; Koya, Shunsuke; Yamasaki, Ryu; Mutoh, Yuichiro; Azumaya, Isao; Katagiri, Kosuke; Saito, Shinichi","Acid-Mediated Ring-Expansion Reaction of N-Aryl-2-vinylazetidines: Synthesis and Unanticipated Reactivity of Tetrahydrobenzazocines.","The Journal of organic chemistry","2014","79","10","4367","4377","10.1021/jo500249c","","","0.71073","MoKα","","0.0806","0.0753","","","0.2139","0.2236","","","","","","1.055","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029378","5.7246","0.001","10.9332","0.0018","16.289","0.003","77.753","0.004","86.78","0.004","80.766","0.004","983.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C54 H38 N2 O4 -","2","1","","Wang, Meining; Zhang, Chi; Sun, Li-Ping; Ding, Chunyong; Zhang, Ao","Naphthoquinone-directed C-h annulation and csp(3)-h bond cleavage: one-pot synthesis of tetracyclic naphthoxazoles.","The Journal of organic chemistry","2014","79","10","4553","4560","10.1021/jo500572u","","","0.71073","MoKα","","0.0884","0.0548","","","0.1593","0.1787","","","","","","1.089","","","","has coordinates,has disorder","178472","2020-10-21","18:00:00",""
"4029379","12.7758","0.0006","12.4749","0.0006","24.7006","0.0011","90","","96.782","0.001","90","","3909.2","0.3","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Br2 Cl4 N4 O4 -","- C32 H26 Br2 Cl4 N4 O4 -","- C128 H104 Br8 Cl16 N16 O16 -","4","1","","DeBlase, Catherine R.; Finke, Ryan T.; Porras, Jonathan A.; Tanski, Joseph M.; Nadeau, Jocelyn M.","C-Shaped Diastereomers Containing Cofacial Thiophene-Substituted Quinoxaline Rings: Synthesis, Photophysical Properties, and X-ray Crystallography.","The Journal of organic chemistry","2014","79","10","4312","4321","10.1021/jo500053m","","","0.71073","MoKα","","0.0957","0.0577","","","0.1409","0.1544","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029380","10.5303","0.0008","11.5381","0.0009","18.5812","0.0015","86.903","0.001","74.816","0.001","77.042","0.001","2123.3","0.3","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Cl8 N4 O4 S2 -","- C42 H36 Cl8 N4 O4 S2 -","- C84 H72 Cl16 N8 O8 S4 -","2","1","","DeBlase, Catherine R.; Finke, Ryan T.; Porras, Jonathan A.; Tanski, Joseph M.; Nadeau, Jocelyn M.","C-Shaped Diastereomers Containing Cofacial Thiophene-Substituted Quinoxaline Rings: Synthesis, Photophysical Properties, and X-ray Crystallography.","The Journal of organic chemistry","2014","79","10","4312","4321","10.1021/jo500053m","","","0.71073","MoKα","","0.0964","0.0648","","","0.181","0.1978","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029381","11.149","0.0004","32.7727","0.0013","11.5886","0.0005","90","","98.527","0.001","90","","4187.5","0.3","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H33 Cl7 N4 O4 S2 -","- C41 H33 Cl7 N4 O4 S2 -","- C164 H132 Cl28 N16 O16 S8 -","4","1","","DeBlase, Catherine R.; Finke, Ryan T.; Porras, Jonathan A.; Tanski, Joseph M.; Nadeau, Jocelyn M.","C-Shaped Diastereomers Containing Cofacial Thiophene-Substituted Quinoxaline Rings: Synthesis, Photophysical Properties, and X-ray Crystallography.","The Journal of organic chemistry","2014","79","10","4312","4321","10.1021/jo500053m","","","0.71073","MoKα","","0.119","0.0781","","","0.2076","0.2373","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029382","9.14","0.004","11.564","0.005","11.837","0.003","81.82","0.03","89.37","0.02","73.3","0.03","1185.6","0.8","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H26 O -","- C34 H26 O -","- C68 H52 O2 -","2","1","","Guo, Biao; Zheng, Liyao; Yang, Lichen; Hua, Ruimao","Synthesis of Chrysene Derivatives via Copper-Catalyzed One-Pot Dimerization of 2-Alkynyl-1-acetylbenzenes.","The Journal of organic chemistry","2014","79","10","4352","4357","10.1021/jo500182k","","","0.71073","MoKα","","0.1297","0.079","","","0.1606","0.1765","","","","","","1.438","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029383","5.6805","0.0004","10.0159","0.0006","15.1868","0.0009","91.566","0.004","97.711","0.003","96.58","0.003","849.8","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O -","- C23 H21 N O -","- C46 H42 N2 O2 -","2","1","","Chen, Jian-Ming; Chang, Chin-Jung; Ke, Yao-Jin; Liu, Rai-Shung","Catalytic Formal [4 + 2] Cycloadditions between Unactivated Allenes and N-Hydroxyaniline Catalyzed by AuCl3/CuCl2/O2.","The Journal of organic chemistry","2014","79","10","4306","4311","10.1021/jo500009x","","","0.71073","MoKα","","0.0626","0.0397","","","0.1096","0.1479","","","","","","1.11","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029384","45.341","0.003","6.3267","0.0004","19.1637","0.001","90","","94.165","0.003","90","","5482.8","0.6","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H38 N2 O -","- C34 H38 N2 O -","- C272 H304 N16 O8 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.191","0.0745","","","0.1423","0.1954","","","","","","0.966","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029385","9.3084","0.0009","11.0123","0.0011","14.2584","0.0014","96.174","0.002","92.581","0.001","96.04","0.002","1442.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 Cl2 O5 -","- C33 H34 Cl2 O5 -","- C66 H68 Cl4 O10 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0512","0.0454","","","0.12","0.1242","","","","","","1.242","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029386","34.0554","0.0018","9.9336","0.0005","23.0128","0.0012","90","","129.512","0.003","90","","6006.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 F6 N2 O -","- C34 H32 F6 N2 O -","- C272 H256 F48 N16 O8 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1291","0.0587","","","0.148","0.1833","","","","","","0.834","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029387","9.568","0.0001","9.0894","0.0001","28.1687","0.0004","90","","95.888","0.001","90","","2436.83","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0906","0.0601","","","0.1436","0.1622","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029388","27.2623","0.0015","7.994","0.0004","18.8173","0.001","90","","130.377","0.001","90","","3124.1","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 O8 -","- C36 H38 O8 -","- C144 H152 O32 -","4","0.5","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0417","0.0368","","","0.0969","0.1017","","","","","","1.001","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029389","16.1001","0.0017","19.841","0.002","17.6455","0.0019","90","","115.919","0.002","90","","5069.7","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F6 O2 -","- C32 H24 F6 O2 -","- C256 H192 F48 O16 -","8","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1681","0.0674","","","0.1566","0.204","","","","","","1.009","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029390","21.8256","0.001","10.1693","0.0004","25.5637","0.0011","90","","90","","90","","5673.9","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H38 N2 O3 -","- C34 H38 N2 O3 -","- C272 H304 N16 O24 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1759","0.0767","","","0.1766","0.2146","","","","","","0.948","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029391","9.148","0.004","12.84","0.006","13.415","0.006","107.886","0.008","101.844","0.007","92.212","0.007","1458.9","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H34 O6 -","- C34 H34 O6 -","- C68 H68 O12 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2641","0.1457","","","0.3817","0.4334","","","","","","1.478","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029392","9.8125","0.0008","11.0615","0.0008","13.6335","0.001","70.815","0.005","78.876","0.005","81.967","0.005","1366.69","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 Br2 O4 -","- C32 H26 Br2 O4 -","- C64 H52 Br4 O8 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2137","0.1172","","","0.2944","0.3326","","","","","","0.96","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029393","25.956","0.011","6.182","0.003","19.745","0.008","90","","90.35","0.006","90","","3168","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 O3 -","- C38 H44 O3 -","- C152 H176 O12 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1405","0.0643","","","0.1506","0.1912","","","","","","0.826","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029394","15.8962","0.0008","23.9751","0.0014","15.4845","0.0009","90","","115.677","0.003","90","","5318.6","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 O4 -","- C34 H34 O4 -","- C272 H272 O32 -","8","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2732","0.1017","","","0.1587","0.2266","","","","","","0.961","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029395","14.3696","0.0006","24.357","0.001","8.882","0.0004","90","","90","","90","","3108.7","0.2","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C36 H38 O8 -","- C36 H38 O8 -","- C144 H152 O32 -","4","0.5","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1006","0.0641","","","0.1439","0.1615","","","","","","1.051","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029396","11.2069","0.0002","11.0239","0.0002","18.5291","0.0004","90","","90.694","0.001","90","","2288.99","0.08","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0691","0.0478","","","0.145","0.1654","","","","","","1.127","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029397","13.809","0.004","10.376","0.003","21.761","0.006","90","","94.95","0.006","90","","3106.3","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 Cl2 N2 O3 -","- C35 H40 Cl2 N2 O3 -","- C140 H160 Cl8 N8 O12 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.3044","0.0662","","","0.141","0.2509","","","","","","0.667","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029398","18.9058","0.0005","9.7027","0.0003","16.0143","0.0004","90","","114.597","0.0015","90","","2671.05","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 O5 -","- C32 H32 O5 -","- C128 H128 O20 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0727","0.0449","","","0.0991","0.1094","","","","","","0.921","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029399","12.3177","0.0004","14.2234","0.0004","16.6636","0.0005","84.729","0.002","73.553","0.002","66.674","0.003","2570.47","0.15","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C34 H34 -","- C34 H34 -","- C136 H136 -","4","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1812","0.0618","","","0.1412","0.1996","","","","","","0.699","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029400","10.7473","0.001","24.594","0.002","10.5723","0.0011","90","","107.995","0.006","90","","2657.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 F6 O3 -","- C32 H26 F6 O3 -","- C128 H104 F24 O12 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1389","0.0765","","","0.179","0.2258","","","","","","1.013","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029401","10.0529","0.0014","12.8185","0.0018","13.4817","0.0019","102.978","0.002","111.583","0.002","93.167","0.003","1555.9","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H38 O8 -","- C36 H38 O8 -","- C72 H76 O16 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.084","0.0569","","","0.1658","0.1912","","","","","","1.038","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029402","20.42","0.0008","10.0168","0.0004","23.6874","0.001","90","","90","","90","","4845.1","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H26 F2 O3 -","- C30 H26 F2 O3 -","- C240 H208 F16 O24 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0548","0.037","","","0.0864","0.0973","","","","","","1.023","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029403","8.7765","0.0007","26.7134","0.0018","23.5585","0.0016","90","","90","","90","","5523.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 F6 O3 -","- C32 H26 F6 O3 -","- C256 H208 F48 O24 -","8","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1506","0.0549","","","0.0992","0.1321","","","","","","0.842","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029404","14.6805","0.0002","15.8549","0.0002","10.8348","0.0002","90","","90","","90","","2521.88","0.07","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0559","0.044","","","0.0992","0.1045","","","","","","1.115","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029405","10.2734","0.0003","15.6266","0.0004","16.2315","0.0004","107.797","0.002","90.011","0.002","91.077","0.002","2480.59","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0812","0.0632","","","0.1582","0.1667","","","","","","1.082","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029406","24.0553","0.0006","9.1097","0.0002","24.6742","0.0006","90","","98.351","0.002","90","","5349.7","0.2","296","2","296.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 O5 -","- C32 H32 O5 -","- C256 H256 O40 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1181","0.056","","","0.1353","0.1669","","","","","","1.018","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029407","10.3767","0.0002","12.3787","0.0003","21.9131","0.0005","87.931","0.002","84.966","0.002","88.166","0.002","2800.88","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H34 O6 -","- C34 H34 O6 -","- C136 H136 O24 -","4","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1149","0.059","","","0.1342","0.1595","","","","","","0.999","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029408","10.9755","0.0001","11.2553","0.0002","22.7841","0.0003","90","","94.201","0.001","90","","2807.02","0.07","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C34.5 H37 N O1.5 -","- C34.5 H37 N O1.5 -","- C138 H148 N4 O6 -","4","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0525","0.0443","","","0.1118","0.1187","","","","","","0.764","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029409","21.8582","0.0009","11.2916","0.0005","20.2879","0.0008","90","","99.753","0.003","90","","4935","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N2 O6 -","- C30 H24 N2 O6 -","- C240 H192 N16 O48 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0947","0.0567","","","0.136","0.156","","","","","","1.036","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029410","9.5203","0.0011","23.024","0.003","11.6499","0.0014","90","","100.456","0.003","90","","2511.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C128 H96 N8 O8 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1614","0.0659","","","0.1538","0.1834","","","","","","0.865","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029411","6.867","0.002","14.544","0.005","15.106","0.005","83.765","0.005","89.255","0.006","89.174","0.006","1499.5","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H38 O8 -","- C36 H38 O8 -","- C72 H76 O16 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2381","0.0728","","","0.1311","0.192","","","","","","0.901","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029412","8.0506","0.0003","13.1393","0.0006","13.3586","0.0006","68.499","0.002","76.048","0.003","76.844","0.003","1260.68","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H32 O5 -","- C32 H32 O5 -","- C64 H64 O10 -","2","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0779","0.0472","","","0.0962","0.1073","","","","","","0.873","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029413","12.0322","0.0003","11.9498","0.0003","20.361","0.0005","90","","100.039","0.002","90","","2882.73","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 O6 -","- C34 H38 O6 -","- C136 H152 O24 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0934","0.0471","","","0.0898","0.1064","","","","","","1.002","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029414","23.741","0.0017","8.7785","0.0006","28.77","0.002","90","","103.418","0.005","90","","5832.3","0.7","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H32 F6 N2 O -","- C34 H32 F6 N2 O -","- C272 H256 F48 N16 O8 -","8","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2451","0.1234","","","0.2525","0.2941","","","","","","1.239","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029415","10.3391","0.0003","22.1229","0.0006","10.9627","0.0003","90","","110.352","0.002","90","","2350.97","0.12","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 -","- C32 H30 -","- C128 H120 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1432","0.0806","","","0.211","0.2366","","","","","","1.056","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029416","11.834","0.003","21.682","0.006","21.523","0.006","90","","94.25","0.005","90","","5507","3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 O6 -","- C34 H34 O6 -","- C272 H272 O48 -","8","2","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.2701","0.0551","","","0.0728","0.1163","","","","","","0.654","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029417","11.173","0.008","25.204","0.019","9.16","0.007","90","","102.144","0.013","90","","2522","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 N O -","- C32 H31 N O -","- C128 H124 N4 O4 -","4","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.3569","0.0914","","","0.175","0.2941","","","","","","0.86","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029418","11.7883","0.0006","17.9576","0.0009","14.1225","0.0007","90","","90.594","0.004","90","","2989.4","0.3","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H33 Cl2 N3 O3 -","- C33 H33 Cl2 N3 O3 -","- C132 H132 Cl8 N12 O12 -","4","2","","Tan, Wei; Du, Bai-Xiang; Li, Xin; Zhu, Xu; Shi, Feng; Tu, Shu-Jiang","Catalytic Asymmetric Aza-ene Reaction of 3-Indolylmethanols with Cyclic Enaminones: Enantioselective Approach to C3-Functionalized Indoles.","The Journal of organic chemistry","2014","79","10","4635","4643","10.1021/jo500644v","","","1.54178","CuKα","","0.0797","0.0618","","","0.1624","0.1786","","","","","","1.026","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029419","14.5913","0.0009","14.5913","0.0009","24.0429","0.0016","90","","90","","120","","4433.1","0.5","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C31 H28 Cl N3 O2 -","- C31 H28 Cl N3 O2 -","- C186 H168 Cl6 N18 O12 -","6","1","","Tan, Wei; Du, Bai-Xiang; Li, Xin; Zhu, Xu; Shi, Feng; Tu, Shu-Jiang","Catalytic Asymmetric Aza-ene Reaction of 3-Indolylmethanols with Cyclic Enaminones: Enantioselective Approach to C3-Functionalized Indoles.","The Journal of organic chemistry","2014","79","10","4635","4643","10.1021/jo500644v","","","0.71073","MoKα","","0.1722","0.0772","","","0.1742","0.1958","","","","","","0.999","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029420","6.644","0.0004","10.4808","0.0006","15.2251","0.0008","90","","100.429","0.003","90","","1042.68","0.1","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","","Thangaraj, Manikandan; Bhojgude, Sachin Suresh; Bisht, Rajesh H.; Gonnade, Rajesh G.; Biju, Akkattu T.","Diels-Alder Reaction of Tropones with Arynes: Synthesis of Functionalized Benzobicyclo[3.2.2]nonatrienones.","The Journal of organic chemistry","2014","79","10","4757","4762","10.1021/jo500819w","","","0.71073","MoKα","","0.0414","0.0381","","","0.0967","0.0995","","","","","","1.028","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029421","9.9427","0.0015","16.894","0.003","14.819","0.002","90","","109.195","0.002","90","","2350.8","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N O2 P -","- C29 H24 N O2 P -","- C116 H96 N4 O8 P4 -","4","1","","Gangadhararao, G.; Kotikalapudi, Ramesh; Nagarjuna Reddy, M.; Swamy, K. C. Kumara","Allenylphosphine oxides as simple scaffolds for phosphinoylindoles and phosphinoylisocoumarins.","Beilstein journal of organic chemistry","2014","10","","996","1005","10.3762/bjoc.10.99","","","0.71073","MoKα","","0.0465","0.0408","","","0.1101","0.114","","","","","","1.074","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029422","11.2497","0.0006","21.1287","0.0009","15.288","0.0006","90","","90","","90","","3633.8","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H20 N O P -","- C22 H20 N O P -","- C176 H160 N8 O8 P8 -","8","1","","Gangadhararao, G.; Kotikalapudi, Ramesh; Nagarjuna Reddy, M.; Swamy, K. C. Kumara","Allenylphosphine oxides as simple scaffolds for phosphinoylindoles and phosphinoylisocoumarins.","Beilstein journal of organic chemistry","2014","10","","996","1005","10.3762/bjoc.10.99","","","0.71073","MoKα","","0.0537","0.043","","","0.1076","0.1141","","","","","","1.085","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029423","9.744","0.0019","9.9918","0.0017","10.2864","0.0018","84.229","0.014","76.556","0.016","66.323","0.018","892","0.3","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 O3 P -","- C22 H17 O3 P -","- C44 H34 O6 P2 -","2","1","","Gangadhararao, G.; Kotikalapudi, Ramesh; Nagarjuna Reddy, M.; Swamy, K. C. Kumara","Allenylphosphine oxides as simple scaffolds for phosphinoylindoles and phosphinoylisocoumarins.","Beilstein journal of organic chemistry","2014","10","","996","1005","10.3762/bjoc.10.99","","","0.71073","MoKα","","0.0686","0.0455","","","0.1114","0.1191","","","","","","1.01","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029424","7.9413","0.0019","7.9674","0.0019","9.746","0.002","66.05","0.02","79.379","0.019","62.93","0.02","501.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 Br O2 -","- C11 H9 Br O2 -","- C22 H18 Br2 O4 -","2","1","","Gangadhararao, G.; Kotikalapudi, Ramesh; Nagarjuna Reddy, M.; Swamy, K. C. Kumara","Allenylphosphine oxides as simple scaffolds for phosphinoylindoles and phosphinoylisocoumarins.","Beilstein journal of organic chemistry","2014","10","","996","1005","10.3762/bjoc.10.99","","","0.71073","MoKα","","0.0513","0.0425","","","0.1021","0.1108","","","","","","1.097","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029425","9.1343","0.0007","6.8955","0.0005","20.2243","0.0015","90","","91.191","0.002","90","","1273.56","0.16","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","C-2 deoxy Glycoside","Bboc-protected iodo sugar","","- C20 H29 I N O11 -","- C20 H29 I N O11 -","- C40 H58 I2 N2 O22 -","2","1","","Islam, Maidul; Tirukoti, Nishanth D.; Nandi, Shyamapada; Hotha, Srinivas","Hypervalent iodine mediated synthesis of C-2 deoxy glycosides and amino Acid glycoconjugates.","The Journal of organic chemistry","2014","79","10","4470","4476","10.1021/jo500465m","","","1.54178","CuKα","","0.0328","0.0326","","","0.0827","0.083","","","","","","1.062","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029426","10.12","0.002","10.669","0.002","16.642","0.003","90","","106.45","0.03","90","","1723.3","0.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","En, Da; Zou, Gong-Feng; Guo, Yuan; Liao, Wei-Wei","Nucleophilic Phosphine-Catalyzed Intramolecular Michael Reactions of N-Allylic Substituted α-Amino Nitriles: Construction of Functionalized Pyrrolidine Rings via 5-endo-trig Cyclizations.","The Journal of organic chemistry","2014","79","10","4456","4462","10.1021/jo500418s","","","0.71073","MoKα","","0.056","0.0447","","","0.1237","0.1303","","","","","","1.08","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029427","13.685","0.0007","20.3904","0.0014","17.52","0.001","90","","105.773","0.004","90","","4704.7","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H132 Cl6 N12 O39 -","- C66 H132 Cl6 N12 O39 -","- C132 H264 Cl12 N24 O78 -","2","1","","Faggi, Enrico; Moure, Alejandra; Bolte, Michael; Vicent, Cristian; Luis, Santiago V.; Alfonso, Ignacio","Pseudopeptidic cages as receptors for N-protected dipeptides.","The Journal of organic chemistry","2014","79","10","4590","4601","10.1021/jo500629d","","","0.71073","MoKα","","0.1278","0.1158","","","0.32","0.3353","","","","","","1.265","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029428","41.527","0.006","11.0922","0.0017","26.113","0.004","90","","123.323","0.003","90","","10051","3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H25 Br N4 O4 -","- C25 H25 Br N4 O4 -","- C400 H400 Br16 N64 O64 -","16","4","","Li, Tian-Ze; Wang, Xi-Bo; Sha, Feng; Wu, Xin-Yan","Organocatalyzed enantioselective mannich reaction of pyrazoleamides with isatin-derived ketimines.","The Journal of organic chemistry","2014","79","10","4332","4339","10.1021/jo500145w","","","0.71073","MoKα","","0.1365","0.0568","","","0.1117","0.1387","","","","","","0.969","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029429","13.77","0.003","9.3234","0.0015","17.015","0.003","90","","101.934","0.002","90","","2137.2","0.7","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N2 Se -","- C27 H20 N2 Se -","- C108 H80 N8 Se4 -","4","1","","Murai, Toshiaki; Yamaguchi, Kirara; Hori, Fumihiko; Maruyama, Toshifumi","Reaction of selenoamide dianions with thio- and selenoformamides leading to the formation of 5-aminoselenazoles: photophysical and electrochemical properties.","The Journal of organic chemistry","2014","79","11","4930","4939","10.1021/jo500499g","","","0.71075","MoKα","","0.0362","0.0301","","","0.0758","0.0795","","","","","","1.044","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029430","9.0667","0.0016","9.4296","0.0016","9.8594","0.0018","112.774","0.004","98.136","0.004","107.001","0.004","711.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C36 H36 N4 -","2","1","","Orejarena Pacheco, Julio Cesar; Opatz, Till","Ring Expansion of 1,2,3,4-Tetrahydroisoquinolines to Dibenzo[c,f]azonines. An Unexpected [1,4]-Sigmatropic Rearrangement of Nitrile-Stabilized Ammonium Ylides.","The Journal of organic chemistry","2014","79","11","5182","5192","10.1021/jo500749x","","","0.71073","MoKα","","0.0459","0.0414","","","0.1045","0.1087","","","","","","1.049","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029431","14.3891","0.0008","9.2391","0.0006","13.2215","0.0009","90","","107.576","0.002","90","","1675.64","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Orejarena Pacheco, Julio Cesar; Opatz, Till","Ring Expansion of 1,2,3,4-Tetrahydroisoquinolines to Dibenzo[c,f]azonines. An Unexpected [1,4]-Sigmatropic Rearrangement of Nitrile-Stabilized Ammonium Ylides.","The Journal of organic chemistry","2014","79","11","5182","5192","10.1021/jo500749x","","","0.71073","MoKα","","0.0571","0.041","","","0.1003","0.109","","","","","","1.038","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029432","6.4802","0.0003","13.1979","0.0005","25.4488","0.0009","90","","90","","90","","2176.51","0.15","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O6 -","- C25 H29 N O6 -","- C100 H116 N4 O24 -","4","1","","Selfridge, Brandon R.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of Enantiopure 10-Nornaltrexones in the Search for Toll-like Receptor 4 Antagonists and Opioid Ligands.","The Journal of organic chemistry","2014","79","11","5007","5018","10.1021/jo500568s","","","0.71073","MoKα","","0.0355","0.0332","","","0.0877","0.0891","","","","","","1.024","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029433","5.8822","0.0003","15.7145","0.0008","16.2267","0.0007","90","","90","","90","","1499.93","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Selfridge, Brandon R.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of Enantiopure 10-Nornaltrexones in the Search for Toll-like Receptor 4 Antagonists and Opioid Ligands.","The Journal of organic chemistry","2014","79","11","5007","5018","10.1021/jo500568s","","","0.71073","MoKα","","0.0388","0.0377","","","0.107","0.1082","","","","","","1.041","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029434","9.4852","0.0001","16.6744","0.0002","15.2017","0.0002","90","","94.942","0.001","90","","2395.36","0.05","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N3 O4 -","- C27 H23 N3 O4 -","- C108 H92 N12 O16 -","4","1","","Cui, Bao-Dong; Zuo, Jian; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Tandem Michael addition-ring transformation reactions of 3-hydroxyoxindoles/3-aminooxindoles with olefinic azlactones: direct access to structurally diverse spirocyclic oxindoles.","The Journal of organic chemistry","2014","79","11","5305","5314","10.1021/jo500432c","","","1.54184","CuKα","","0.0497","0.0434","","","0.1295","0.1372","","","","","","1.06","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029435","10.2604","0.0004","15.8897","0.0005","13.009","0.0006","90","","108.475","0.004","90","","2011.61","0.14","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N2 O4 S -","- C23 H18 N2 O4 S -","- C92 H72 N8 O16 S4 -","4","1","","Cui, Bao-Dong; Zuo, Jian; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Tandem Michael addition-ring transformation reactions of 3-hydroxyoxindoles/3-aminooxindoles with olefinic azlactones: direct access to structurally diverse spirocyclic oxindoles.","The Journal of organic chemistry","2014","79","11","5305","5314","10.1021/jo500432c","","","0.71073","MoKα","","0.0769","0.0538","","","0.1277","0.1423","","","","","","1.036","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029436","23.162","0.001","11.5821","0.0005","11.2981","0.0004","90","","100.997","0.002","90","","2975.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 O8 -","- C32 H36 O8 -","- C128 H144 O32 -","4","1","","Vibhute, Amol M.; Sureshan, Kana M.","Strength from Weakness: Conformational Divergence between Solid and Solution States of Substituted Cyclitols Facilitated by CH···O Hydrogen Bonding.","The Journal of organic chemistry","2014","79","11","4892","4908","10.1021/jo5004778","","","0.71073","MoKα","","0.0879","0.0509","","","0.1202","0.1467","","","","","","1.09","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029437","12.15","0.005","10.181","0.005","18.898","0.005","90","0.005","95.579","0.005","90","0.005","2326.6","1.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 O7 -","- C25 H32 O7 -","- C100 H128 O28 -","4","1","","Vibhute, Amol M.; Sureshan, Kana M.","Strength from Weakness: Conformational Divergence between Solid and Solution States of Substituted Cyclitols Facilitated by CH···O Hydrogen Bonding.","The Journal of organic chemistry","2014","79","11","4892","4908","10.1021/jo5004778","","","0.71073","MoKα","","0.1073","0.0565","","","0.137","0.1654","","","","","","1.022","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029438","12.0165","0.0003","16.3915","0.0004","18.4237","0.0004","114.762","0.001","103.433","0.001","92.396","0.001","3165.08","0.13","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 Cl2 O7 -","- C36 H38 Cl2 O7 -","- C144 H152 Cl8 O28 -","4","2","","Vibhute, Amol M.; Sureshan, Kana M.","Strength from Weakness: Conformational Divergence between Solid and Solution States of Substituted Cyclitols Facilitated by CH···O Hydrogen Bonding.","The Journal of organic chemistry","2014","79","11","4892","4908","10.1021/jo5004778","","","0.71073","MoKα","","0.083","0.0455","","","0.1064","0.1351","","","","","","1.052","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029439","46.9596","0.0011","12.7191","0.0003","20.5382","0.0005","90","","107.083","0.002","90","","11725.9","0.5","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C28 H44 O8 -","- C28 H44 O8 -","- C448 H704 O128 -","16","4","","Vibhute, Amol M.; Sureshan, Kana M.","Strength from Weakness: Conformational Divergence between Solid and Solution States of Substituted Cyclitols Facilitated by CH···O Hydrogen Bonding.","The Journal of organic chemistry","2014","79","11","4892","4908","10.1021/jo5004778","","","0.71073","MoKα","","0.3114","0.0619","","","0.1422","0.2927","","","","","","0.939","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029440","17.077","0.003","17.49","0.003","17.638","0.003","102.333","0.008","92.957","0.008","117.285","0.006","4505.6","1.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H36 O7 -","- C23 H36 O7 -","- C184 H288 O56 -","8","4","","Vibhute, Amol M.; Sureshan, Kana M.","Strength from Weakness: Conformational Divergence between Solid and Solution States of Substituted Cyclitols Facilitated by CH···O Hydrogen Bonding.","The Journal of organic chemistry","2014","79","11","4892","4908","10.1021/jo5004778","","","0.71073","MoKα","","0.2987","0.0659","","","0.1457","0.2682","","","","","","0.923","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029445","6.993","0.003","8.884","0.004","26.801","0.007","90","","90","","90","","1665","1.1","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Mori, Hiroki; Chen, Xi-Chao; Chang, Ning-Hui; Hamao, Shino; Kubozono, Yoshihiro; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of methoxy-substituted picenes: substitution position effect on their electronic and single-crystal structures.","The Journal of organic chemistry","2014","79","11","4973","4983","10.1021/jo500543h","","","0.71075","MoKα","","0.0435","0.0338","","","0.0849","0.0897","","","","","","1.059","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029446","6.2114","0.0015","7.8271","0.0019","34.589","0.009","90","","90","","90","","1681.6","0.7","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Mori, Hiroki; Chen, Xi-Chao; Chang, Ning-Hui; Hamao, Shino; Kubozono, Yoshihiro; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of methoxy-substituted picenes: substitution position effect on their electronic and single-crystal structures.","The Journal of organic chemistry","2014","79","11","4973","4983","10.1021/jo500543h","","","0.71075","MoKα","","0.0548","0.0396","","","0.1019","0.1078","","","","","","1.03","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029447","7.043","0.002","19.934","0.008","13.754","0.005","90","","90.379","0.016","90","","1931","1.2","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O4 -","- C26 H22 O4 -","- C104 H88 O16 -","4","1","","Mori, Hiroki; Chen, Xi-Chao; Chang, Ning-Hui; Hamao, Shino; Kubozono, Yoshihiro; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of methoxy-substituted picenes: substitution position effect on their electronic and single-crystal structures.","The Journal of organic chemistry","2014","79","11","4973","4983","10.1021/jo500543h","","","0.71075","MoKα","","0.0613","0.0424","","","0.1178","0.1281","","","","","","1.051","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029448","12.393","0.003","10.745","0.002","13.09","0.003","90","","100.07","0.03","90","","1716.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 F3 N2 O2 S -","- C18 H15 F3 N2 O2 S -","- C72 H60 F12 N8 O8 S4 -","4","1","","Wang, Nuancheng; Li, Renhe; Li, Liubo; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Rhodium(III)-Catalyzed Intermolecular Amidation with Azides via C(sp(3))-H Functionalization.","The Journal of organic chemistry","2014","79","11","5379","5385","10.1021/jo5008515","","","0.71073","MoKα","","0.0531","0.0408","","","0.1101","0.1176","","","","","","1.071","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029449","10.1714","0.001","10.7715","0.0011","16.287","0.0016","90","","90","","90","","1784.4","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","","Curto, John M.; Kozlowski, Marisa C.","α-Allyl-α-aryl α-Amino Esters in the Asymmetric Synthesis of Acyclic and Cyclic Amino Acid Derivatives by Alkene Metathesis.","The Journal of organic chemistry","2014","79","11","5359","5364","10.1021/jo500707t","","","1.54178","CuKα","","0.0237","0.0235","","","0.0589","0.0591","","","","","","1.11","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029450","8.9709","0.0008","14.6155","0.0013","18.1662","0.0017","90","","90","","90","","2381.8","0.4","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 F3 N O7 -","- C23 H28 F3 N O7 -","- C92 H112 F12 N4 O28 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0369","0.0304","","","0.0677","0.0705","","","","","","1.057","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029451","7.321","0.006","11.808","0.009","9.419","0.008","90","","110.277","0.01","90","","763.8","1.1","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 N O5 -","- C14 H23 N O5 -","- C28 H46 N2 O10 -","2","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0509","0.0371","","","0.0765","0.0803","","","","","","0.951","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029452","16.598","0.006","11.093","0.004","13.208","0.004","90","","90","","90","","2431.9","1.4","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H38 N2 O7 -","- C24 H38 N2 O7 -","- C96 H152 N8 O28 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0324","0.0287","","","0.0688","0.0709","","","","","","1.044","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029453","11.046","0.005","16.939","0.007","13.237","0.006","90","","90","","90","","2476.8","1.9","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H38 N2 O7 -","- C24 H38 N2 O7 -","- C96 H152 N8 O28 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0456","0.0369","","","0.097","0.1075","","","","","","1.076","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029454","9.909","0.004","12.774","0.005","19.563","0.008","90","","90","","90","","2476.2","1.7","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O7 S -","- C25 H34 N2 O7 S -","- C100 H136 N8 O28 S4 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0298","0.0263","","","0.062","0.0637","","","","","","1.048","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029455","10.0129","0.0019","17.402","0.003","20.03","0.004","90","","90","","90","","3490.1","1.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 Br N3 O10 -","- C34 H48 Br N3 O10 -","- C136 H192 Br4 N12 O40 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0226","0.0205","","","0.054","0.0546","","","","","","1.081","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029456","7.583","0.003","8.075","0.003","28.833","0.014","90","","95.49","0.03","90","","1757.4","1.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl N4 O -","- C19 H21 Cl N4 O -","- C76 H84 Cl4 N16 O4 -","4","1","","Martinez-Ariza, Guillermo; Ayaz, Muhammad; Medda, Federico; Hulme, Christopher","Synthesis of diverse nitrogen-enriched heterocyclic scaffolds using a suite of tunable one-pot multicomponent reactions.","The Journal of organic chemistry","2014","79","11","5153","5162","10.1021/jo500723d","","","0.71073","MoKα","","0.0668","0.0448","","","0.1129","0.1245","","","","","","1.054","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029457","21.4045","0.0017","9.0833","0.0008","17.5993","0.0013","90","","94.482","0.002","90","","3411.3","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 F N5 O3 -","- C18 H18 F N5 O3 -","- C144 H144 F8 N40 O24 -","8","1","","Martinez-Ariza, Guillermo; Ayaz, Muhammad; Medda, Federico; Hulme, Christopher","Synthesis of diverse nitrogen-enriched heterocyclic scaffolds using a suite of tunable one-pot multicomponent reactions.","The Journal of organic chemistry","2014","79","11","5153","5162","10.1021/jo500723d","","","0.71073","MoKα","","0.0538","0.0382","","","0.0895","0.0984","","","","","","1.015","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029458","8.9862","0.0008","9.873","0.0009","10.3897","0.0009","115.309","0.002","100.343","0.003","104.653","0.003","761.34","0.12","101","","100.94","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Br Cl N3 O3 -","- C14 H15 Br Cl N3 O3 -","- C28 H30 Br2 Cl2 N6 O6 -","2","1","","Martinez-Ariza, Guillermo; Ayaz, Muhammad; Medda, Federico; Hulme, Christopher","Synthesis of diverse nitrogen-enriched heterocyclic scaffolds using a suite of tunable one-pot multicomponent reactions.","The Journal of organic chemistry","2014","79","11","5153","5162","10.1021/jo500723d","","","0.71073","MoKα","","0.0383","0.0349","","","0.1038","0.1068","","","","","","1.071","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029459","4.878","0.002","16.418","0.007","19.847","0.009","90","","90","","90","","1589.5","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl O3 -","- C18 H17 Cl O3 -","- C72 H68 Cl4 O12 -","4","1","","Zeng, Zhongyi; Yang, Dingqiao; Long, Yuhua; Pan, Xuejing; Huang, Guobao; Zuo, Xiongjun; Zhou, Wen","Nickel-catalyzed asymmetric ring opening of oxabenzonorbornadienes with arylboronic acids.","The Journal of organic chemistry","2014","79","11","5249","5257","10.1021/jo500821m","","","0.71073","MoKα","","0.1562","0.0657","","","0.1505","0.1847","","","","","","1.116","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029460","11.119","0.008","11.175","0.007","18.547","0.015","77.91","0.05","84.55","0.05","60.74","0.03","1966","3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 N O4 -","- C12 H19 N O4 -","- C72 H114 N6 O24 -","6","3","","Zhou, Lili; Yao, Yanmin; Xu, Wenbo; Liang, Guangxin","Total Syntheses of (±)-Omphadiol and (±)-Pyxidatol C through a Cis-Fused 5,7-Carbocyclic Common Intermediate.","The Journal of organic chemistry","2014","79","11","5345","5350","10.1021/jo5006125","","","0.71073","MoKα","","0.1793","0.1133","","","0.2877","0.3432","","","","","","0.988","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029461","6.547","0.003","14.435","0.007","7.735","0.004","90","","108.659","0.018","90","","692.6","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 Cl2 O P -","- C14 H19 Cl2 O P -","- C28 H38 Cl4 O2 P2 -","2","1","","Fokin, Andrey A.; Yurchenko, Raisa I.; Tkachenko, Boryslav A.; Fokina, Natalie A.; Gunawan, Maria A.; Poinsot, Didier; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Serafin, Michael; Cattey, Hélène; Hierso, Jean-Cyrille; Schreiner, Peter R.","Selective preparation of diamondoid phosphonates.","The Journal of organic chemistry","2014","79","11","5369","5373","10.1021/jo500793m","","","0.71073","MoKα","","0.0457","0.037","","","0.0831","0.0889","","","","","","1.092","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029462","8.5927","0.001","12.5125","0.0011","9.8811","0.0011","90","","107.977","0.013","90","","1010.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H31 Cl2 O P -","- C26 H31 Cl2 O P -","- C52 H62 Cl4 O2 P2 -","2","0.5","","Fokin, Andrey A.; Yurchenko, Raisa I.; Tkachenko, Boryslav A.; Fokina, Natalie A.; Gunawan, Maria A.; Poinsot, Didier; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Serafin, Michael; Cattey, Hélène; Hierso, Jean-Cyrille; Schreiner, Peter R.","Selective preparation of diamondoid phosphonates.","The Journal of organic chemistry","2014","79","11","5369","5373","10.1021/jo500793m","","","0.71073","MoKα","","0.0444","0.0361","","","0.109","0.114","","","","","","0.921","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029463","13.7657","0.001","6.5028","0.0006","20.58","0.0014","90","","91.615","0.008","90","","1841.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cl2 O P -","- C22 H27 Cl2 O P -","- C88 H108 Cl8 O4 P4 -","4","1","","Fokin, Andrey A.; Yurchenko, Raisa I.; Tkachenko, Boryslav A.; Fokina, Natalie A.; Gunawan, Maria A.; Poinsot, Didier; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Serafin, Michael; Cattey, Hélène; Hierso, Jean-Cyrille; Schreiner, Peter R.","Selective preparation of diamondoid phosphonates.","The Journal of organic chemistry","2014","79","11","5369","5373","10.1021/jo500793m","","","0.71073","MoKα","","0.0529","0.034","","","0.0893","0.0996","","","","","","0.676","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029464","7.1772","0.0005","7.3897","0.0005","20.5531","0.0013","90","","91.23","0.003","90","","1089.83","0.13","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 N2 O5 S Si -","- C18 H26 N2 O5 S Si -","- C36 H52 N4 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0619","0.0585","","","0.1523","0.1561","","","","","","1.042","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029465","6.1282","0.0012","8.0712","0.0016","36.366","0.007","90","","90","","90","","1798.7","0.6","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O5 S -","- C17 H20 N2 O5 S -","- C68 H80 N8 O20 S4 -","4","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0385","0.0381","","","0.0857","0.0859","","","","","","1.233","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029466","7.2155","0.0004","7.3686","0.0004","21.8244","0.0011","90","","91.207","0.003","90","","1160.11","0.11","158","1","158","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H28 N2 O5 S Si -","- C19 H28 N2 O5 S Si -","- C38 H56 N4 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.058","0.0432","","","0.1026","0.1108","","","","","","1.036","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029467","12.4009","0.0005","7.2781","0.0003","12.4672","0.0005","90","","94.562","0.001","90","","1121.66","0.08","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 N O2 S -","- C11 H15 N O2 S -","- C44 H60 N4 O8 S4 -","4","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0353","0.0321","","","0.0855","0.0897","","","","","","1.058","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029468","12.5959","0.0011","12.7985","0.0011","18.2292","0.0016","90","","90","","90","","2938.7","0.4","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Co2 N O9 S Si -","- C22 H31 Co2 N O9 S Si -","- C88 H124 Co8 N4 O36 S4 Si4 -","4","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0403","0.0372","","","0.0857","0.087","","","","","","1.24","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029469","7.7299","0.0005","8.0026","0.0006","21.4995","0.0016","90","","91.981","0.003","90","","1329.15","0.16","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 N2 O4 S -","- C12 H12 N2 O4 S -","- C48 H48 N8 O16 S4 -","4","2","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0218","0.0215","","","0.0575","0.058","","","","","","1.049","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029470","7.6048","0.0005","7.3949","0.0005","13.9958","0.0011","90","","94.525","0.003","90","","784.62","0.1","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C32 H32 N4 O8 S2 -","2","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0204","0.0199","","","0.0522","0.0525","","","","","","1.036","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029471","7.3131","0.0002","12.6022","0.0004","28.2003","0.0009","90","","95.198","0.002","90","","2588.28","0.14","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O4 S -","- C11 H14 N2 O4 S -","- C88 H112 N16 O32 S8 -","8","4","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.058","0.0371","","","0.0673","0.0734","","","","","","1.01","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029472","9.956","0.0004","7.927","0.0003","14.0034","0.0006","90","","96.822","0.002","90","","1097.34","0.08","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H28 N2 O5 S Si -","- C19 H28 N2 O5 S Si -","- C38 H56 N4 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0233","0.0225","","","0.062","0.0628","","","","","","1.049","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029474","9.5645","0.0009","15.6682","0.0017","17.0313","0.0018","90","","95.23","0.001","90","","2541.7","0.5","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N6 -","- C29 H26 N6 -","- C116 H104 N24 -","4","1","","Jiang, Bo; Fan, Wei; Sun, Mu-Yan; Ye, Qin; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Domino Reaction of Arylglyoxals with Pyrazol-5-amines: Selective Access to Pyrazolo-Fused 1,7-Naphthyridines, 1,3-Diazocanes, and Pyrroles.","The Journal of organic chemistry","2014","79","11","5258","5268","10.1021/jo500823z","","","0.71073","MoKα","","0.1205","0.0546","","","0.1289","0.1844","","","","","","1.061","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029475","18.4011","0.0016","6.1969","0.0005","23.223","0.002","90","","105.394","0.002","90","","2553.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Br2 N4 O -","- C28 H22 Br2 N4 O -","- C112 H88 Br8 N16 O4 -","4","1","","Jiang, Bo; Fan, Wei; Sun, Mu-Yan; Ye, Qin; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Domino Reaction of Arylglyoxals with Pyrazol-5-amines: Selective Access to Pyrazolo-Fused 1,7-Naphthyridines, 1,3-Diazocanes, and Pyrroles.","The Journal of organic chemistry","2014","79","11","5258","5268","10.1021/jo500823z","","","0.71073","MoKα","","0.2586","0.1119","","","0.2151","0.256","","","","","","1.059","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029476","9.585","0.0006","12.7985","0.0007","18.4861","0.0012","90","","91.299","0.001","90","","2267.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cl2 N6 -","- C26 H20 Cl2 N6 -","- C104 H80 Cl8 N24 -","4","1","","Jiang, Bo; Fan, Wei; Sun, Mu-Yan; Ye, Qin; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Domino Reaction of Arylglyoxals with Pyrazol-5-amines: Selective Access to Pyrazolo-Fused 1,7-Naphthyridines, 1,3-Diazocanes, and Pyrroles.","The Journal of organic chemistry","2014","79","11","5258","5268","10.1021/jo500823z","","","0.71073","MoKα","","0.094","0.0518","","","0.1015","0.1245","","","","","","1.038","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029477","32.018","0.003","9.2309","0.0005","21.6503","0.0014","90","","110.711","0.002","90","","5985.3","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 N6 O2 -","- C36 H30 N6 O2 -","- C288 H240 N48 O16 -","8","1","","Jiang, Bo; Fan, Wei; Sun, Mu-Yan; Ye, Qin; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Domino Reaction of Arylglyoxals with Pyrazol-5-amines: Selective Access to Pyrazolo-Fused 1,7-Naphthyridines, 1,3-Diazocanes, and Pyrroles.","The Journal of organic chemistry","2014","79","11","5258","5268","10.1021/jo500823z","","","0.71073","MoKα","","0.1438","0.0565","","","0.0833","0.1038","","","","","","1.004","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029478","47.727","0.009","14.35","0.003","17.94","0.004","90","","102.5","0.03","90","","11996","5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H55 Cl3 N8 O8 -","- C47 H55 Cl3 N8 O8 -","- C376 H440 Cl24 N64 O64 -","8","1","","Shang, Jie; Gallagher, Nolan M.; Bie, Fusheng; Li, Qiaolian; Che, Yanke; Wang, Ying; Jiang, Hua","Aromatic triazole foldamers induced by C-h···x (x = f, cl) intramolecular hydrogen bonding.","The Journal of organic chemistry","2014","79","11","5134","5144","10.1021/jo500582c","","","0.71073","MoKα","","0.1604","0.1162","","","0.2877","0.3083","","","","","","1.352","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029479","9.6484","0.0019","13.075","0.003","28.303","0.006","90","","98.2","0.03","90","","3534","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 F3 N6 O6 -","- C37 H37 F3 N6 O6 -","- C148 H148 F12 N24 O24 -","4","1","","Shang, Jie; Gallagher, Nolan M.; Bie, Fusheng; Li, Qiaolian; Che, Yanke; Wang, Ying; Jiang, Hua","Aromatic triazole foldamers induced by C-h···x (x = f, cl) intramolecular hydrogen bonding.","The Journal of organic chemistry","2014","79","11","5134","5144","10.1021/jo500582c","","","0.71073","MoKα","","0.1483","0.1041","","","0.1825","0.2018","","","","","","1.174","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029480","10.379","0.002","33.918","0.007","19.627","0.004","90","","99.06","0.03","90","","6823","2","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H103 N18 O11 -","- C55 H107.5 N18 O11 -","- C220 H430 N72 O44 -","4","2","","Fremaux, Juliette; Kauffmann, Brice; Guichard, Gilles","Synthesis and folding propensity of aliphatic oligoureas containing repeats of proline-type units.","The Journal of organic chemistry","2014","79","12","5494","5502","10.1021/jo5006075","","","1.54178","CuKα","","0.0541","0.0517","","","0.1359","0.1384","","","","","","1.016","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029481","18.609","0.004","20","0.004","21.577","0.004","90","","107.06","0.03","90","","7677","3","213","2","213","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C58 H111 N19 O11 -","- C58 H111 N19 O11 -","- C232 H444 N76 O44 -","4","1","","Fremaux, Juliette; Kauffmann, Brice; Guichard, Gilles","Synthesis and folding propensity of aliphatic oligoureas containing repeats of proline-type units.","The Journal of organic chemistry","2014","79","12","5494","5502","10.1021/jo5006075","","","1.54178","CuKα","","0.0899","0.0827","","","0.2159","0.2237","","","","","","1.06","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029482","10.4871","0.0005","11.1272","0.0005","19.6809","0.0009","90","","90","","90","","2296.6","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H37 B2 N3 O5 -","- C20 H37 B2 N3 O5 -","- C80 H148 B8 N12 O20 -","4","1","","Müller, Matthias; Maichle-Mössmer, Cäcilia; Bettinger, Holger F.","Boryl azides in 1,3-dipolar cycloadditions.","The Journal of organic chemistry","2014","79","12","5478","5483","10.1021/jo500549m","","","1.54178","CuKα","","0.0306","0.0277","","","0.0641","0.0656","","","","","","1.003","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029483","7.2695","0.0009","15.2273","0.0019","8.6831","0.0011","90","","107.665","0.005","90","","915.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H15 N3 O -","- C8 H15 N3 O -","- C32 H60 N12 O4 -","4","1","","Müller, Matthias; Maichle-Mössmer, Cäcilia; Bettinger, Holger F.","Boryl azides in 1,3-dipolar cycloadditions.","The Journal of organic chemistry","2014","79","12","5478","5483","10.1021/jo500549m","","","0.71073","MoKα","","0.0721","0.0444","","","0.1122","0.1309","","","","","","0.874","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029504","17.0237","0.0006","9.7682","0.0003","14.0662","0.0004","90","","93.164","0.002","90","","2335.52","0.13","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cl4 N4 -","- C24 H16 Cl4 N4 -","- C96 H64 Cl16 N16 -","4","1","","Parent, Alexander A.; Ess, Daniel H.; Katzenellenbogen, John A.","π-π Interaction Energies as Determinants of the Photodimerization of Mono-, Di-, and Triazastilbenes.","The Journal of organic chemistry","2014","79","12","5448","5462","10.1021/jo500457n","","","0.71073","MoKα","","0.0706","0.0454","","","0.1094","0.1271","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029505","4.164","0.0003","26.744","0.0019","11.3686","0.0008","90","","92.945","0.004","90","","1264.36","0.16","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C52 H40 Cl8 N8 O4 -","4","1","","Parent, Alexander A.; Ess, Daniel H.; Katzenellenbogen, John A.","π-π Interaction Energies as Determinants of the Photodimerization of Mono-, Di-, and Triazastilbenes.","The Journal of organic chemistry","2014","79","12","5448","5462","10.1021/jo500457n","","","0.71073","MoKα","","0.0474","0.0325","","","0.1058","0.1212","","","","","","0.909","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029506","7.3168","0.0014","10.967","0.002","14.476","0.003","87.087","0.003","77.914","0.003","79.985","0.003","1118.4","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C48 H32 Cl8 N8 -","4","2","","Parent, Alexander A.; Ess, Daniel H.; Katzenellenbogen, John A.","π-π Interaction Energies as Determinants of the Photodimerization of Mono-, Di-, and Triazastilbenes.","The Journal of organic chemistry","2014","79","12","5448","5462","10.1021/jo500457n","","","0.71073","MoKα","","0.1327","0.0555","","","0.1009","0.1202","","","","","","0.973","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029507","13.6016","0.0011","5.1312","0.0004","16.377","0.0012","90","","94.686","0.004","90","","1139.17","0.15","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C48 H32 Cl8 N8 -","4","1","","Parent, Alexander A.; Ess, Daniel H.; Katzenellenbogen, John A.","π-π Interaction Energies as Determinants of the Photodimerization of Mono-, Di-, and Triazastilbenes.","The Journal of organic chemistry","2014","79","12","5448","5462","10.1021/jo500457n","","","0.71073","MoKα","","0.0759","0.0375","","","0.0695","0.081","","","","","","1.018","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029508","10.1565","0.0014","10.4149","0.0014","11.8711","0.0016","96.047","0.002","110.545","0.002","105.94","0.002","1101.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","ubsd01","","","- C25 H22 N2 O6 S -","- C25 H22 N2 O6 S -","- C50 H44 N4 O12 S2 -","2","1","","French, Jonathan M.; Diver, Steven T.","Gold(I)-Promoted Heterocyclization of Internal Alkynes: A Comparative Study of Direct Metallate 5-endo-dig Cyclization versus a Stepwise Cyclization.","The Journal of organic chemistry","2014","79","12","5569","5585","10.1021/jo500748e","","","0.71073","MoKα","","0.0928","0.0552","","","0.1306","0.1532","","","","","","1.057","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029509","9.088","0.004","12.184","0.003","15.086","0.003","101.612","0.02","90.49","0.03","107.47","0.03","1556.5","0.9","297.8","0.8","297.8","0.8","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","2","","Coyle, Robert; McArdle, Patrick; Aldabbagh, Fawaz","Tandem Reactions via Barton Esters with Intermolecular Addition and Vinyl Radical Substitution onto Indole.","The Journal of organic chemistry","2014","79","12","5903","5907","10.1021/jo5008543","","","0.71073","MoKα","","0.2932","0.1188","","","0.1879","0.2696","","","","","","0.94","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029510","9.2424","0.0014","10.0425","0.0019","11.6734","0.0018","66.357","0.016","76.443","0.013","63.89","0.016","889","0.3","297","0.1","297","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C44 H36 N4 O4 -","2","1","","Coyle, Robert; McArdle, Patrick; Aldabbagh, Fawaz","Tandem Reactions via Barton Esters with Intermolecular Addition and Vinyl Radical Substitution onto Indole.","The Journal of organic chemistry","2014","79","12","5903","5907","10.1021/jo5008543","","","0.71073","MoKα","","0.1187","0.084","","","0.2505","0.281","","","","","","1.049","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029511","7.2917","0.0012","12.21","0.002","9.926","0.0017","90","","107.842","0.008","90","","841.2","0.2","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O4 -","- C19 H28 O4 -","- C38 H56 O8 -","2","1","","Mydock-McGrane, Laurel; Rath, Nigam P.; Covey, Douglas F.","Synthesis of a Smoothened Cholesterol: 18,19-Di-nor-cholesterol.","The Journal of organic chemistry","2014","79","12","5636","5643","10.1021/jo500813n","","","0.71073","MoKα","","0.0434","0.0364","","","0.0843","0.0887","","","","","","1.04","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4029512","15.9947","0.0008","6.2325","0.0002","21.7799","0.0008","90","","99.498","0.004","90","","2141.41","0.15","100","2","100","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C24 H40 O3 -","- C24 H40 O3 -","- C96 H160 O12 -","4","1","","Mydock-McGrane, Laurel; Rath, Nigam P.; Covey, Douglas F.","Synthesis of a Smoothened Cholesterol: 18,19-Di-nor-cholesterol.","The Journal of organic chemistry","2014","79","12","5636","5643","10.1021/jo500813n","","","0.71073","MoKα","","0.0469","0.0375","","","0.0834","0.0883","","","","","","1.033","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029513","13.9132","0.0008","17.1884","0.001","38.339","0.003","90","","90","","90","","9168.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C96 H140 N6 O10 -","- C96 H140 N6 O10 -","- C384 H560 N24 O40 -","4","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","1.54178","CuKα","","0.122","0.102","","","0.2803","0.2975","","","","","","1.103","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029514","22.564","0.002","21.265","0.002","23.331","0.002","90","","90.599","0.003","90","","11194.1","1.7","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C120 H138 N14 O24 -","- C120 H138 N14 O24 -","- C480 H552 N56 O96 -","4","2","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.1559","0.1064","","","0.2662","0.3107","","","","","","1.073","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029515","18.841","0.004","33.095","0.007","21.482","0.005","90","","95.513","0.008","90","","13333","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H160.5 Cl6 N17.5 O11 -","- C144 H160.5 Cl6 N17.5 O11 -","- C576 H642 Cl24 N70 O44 -","4","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.1272","0.0906","","","0.2315","0.2618","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029516","18.928","0.002","33.493","0.004","20.956","0.002","90","","94.462","0.004","90","","13245","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C140.75 H156.75 Cl5.25 N15 O9 -","- C140.76 H156.76 Cl5.27 N15 O9 -","- C563.04 H627.04 Cl21.08 N60 O36 -","4","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.2054","0.1398","","","0.3747","0.4022","","","","","","2.32","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029517","17.391","0.002","18.813","0.002","21.08","0.003","75.75","0.004","80.301","0.004","64.164","0.004","6001.7","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C127.85 H148.7 Cl3.45 N15.85 O25 -","- C127.85 H148.7 Cl3.45 N15.85 O25 -","- C255.7 H297.4 Cl6.9 N31.7 O50 -","2","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.1716","0.1183","","","0.3114","0.344","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029518","16.6712","0.0012","19.0842","0.0013","20.6478","0.0015","87.705","0.003","83.78","0.002","87.876","0.002","6521.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H160 Cl6 N16 O10 -","- C144 H160 Cl6 N16 O10 -","- C288 H320 Cl12 N32 O20 -","2","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.1602","0.1249","","","0.352","0.3729","","","","","","2.7","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029519","16.5188","0.0012","17.8039","0.0012","21.7829","0.0015","95.035","0.002","105.878","0.002","102.007","0.002","5955.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C129.75 H148 Cl3.75 N14.25 O8 -","- C129.75 H148 Cl3.75 N14.25 O8 -","- C259.5 H296 Cl7.5 N28.5 O16 -","2","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.1232","0.0962","","","0.2718","0.2968","","","","","","1.043","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029520","16.893","0.0012","33.201","0.002","22.7244","0.0014","90","","105.709","0.002","90","","12269.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C134.75 H149.5 Cl6.75 N15.75 O9 -","- C134.75 H149.5 Cl6.75 N15.75 O9 -","- C539 H598 Cl27 N63 O36 -","4","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","0.71073","MoKα","","0.2367","0.1726","","","0.4108","0.4278","","","","","","2.335","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029521","7.84822","0.00016","8.2682","0.0002","26.3414","0.0005","90","","90","","90","","1709.31","0.06","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0323","","","","0.0915","","","","","","1.112","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029522","7.90888","0.00019","8.8674","0.0003","9.2796","0.0003","83.012","0.002","69.9059","0.0017","75.1847","0.0019","590.45","0.03","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C22 H28 N4 O6 S2 -","2","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0404","","","","0.1295","","","","","","1.661","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029523","6.53799","0.00012","13.6252","0.0003","18.5986","0.0004","90","","90","","90","","1656.79","0.06","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O3 S -","- C18 H20 N2 O3 S -","- C72 H80 N8 O12 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0331","","","","0.0942","","","","","","1.118","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029524","6.55092","0.00012","8.59104","0.00016","23.0273","0.0005","90","","90","","90","","1295.96","0.04","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C48 H64 N8 O12 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.033","","","","0.0881","","","","","","1.05","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029525","7.8482","0.0003","8.2717","0.0003","26.3382","0.0007","90","","90","","90","","1709.82","0.1","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0433","","","","0.1246","","","","","","1.265","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029526","9.19794","0.00017","10.68037","0.00019","12.7106","0.0003","90","","90","","90","","1248.66","0.04","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C48 H72 N8 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0434","","","","0.08","","","","","","1.837","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029527","7.709","0.0003","8.0411","0.0002","13.5247","0.0004","80.1484","0.0017","89.0366","0.0019","76.3943","0.0017","802.6","0.04","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 N2 O2 S -","- C17 H20 N2 O2 S -","- C34 H40 N4 O4 S2 -","2","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0544","","","","0.1241","","","","","","3.36","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029528","9.1971","0.0003","10.6801","0.0003","12.7121","0.0003","90","","90","","90","","1248.66","0.06","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C48 H72 N8 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0339","","","","0.0926","","","","","","1.105","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029529","7.9146","0.0003","8.8541","0.0003","9.1732","0.0003","104.507","0.0018","95.7341","0.0019","110.408","0.0018","570.71","0.04","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H16 N2 O2 S -","- C11 H16 N2 O2 S -","- C22 H32 N4 O4 S2 -","2","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0386","","","","0.1344","","","","","","1.52","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029530","7.53664","0.0001","24.0628","0.0004","7.45283","0.0001","90","","111.955","","90","","1253.57","0.03","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C48 H64 N8 O12 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0379","","","","0.1116","","","","","","1.32","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029531","7.124","0.015","7.495","0.016","11.828","0.018","96.72","0.04","100.31","0.02","108.79","0.06","578","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 F N O S -","- C14 H10 F N O S -","- C28 H20 F2 N2 O2 S2 -","2","1","","Cheng, Yannan; Peng, Qian; Fan, Weigang; Li, Pixu","Room-temperature ligand-free pd/c-catalyzed C-s bond formation: synthesis of 2-substituted benzothiazoles.","The Journal of organic chemistry","2014","79","12","5812","5819","10.1021/jo5002752","","","0.7107","MoKα","","0.1158","0.0867","","","0.2374","0.2804","","","","","","1.078","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029532","7.5685","0.0002","28.8622","0.0005","8.1132","0.0001","90","","90","","90","","1772.28","0.06","291","2","291","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C20 H17 F3 O2 -","- C20 H17 F3 O2 -","- C80 H68 F12 O8 -","4","1","","Cai, Hua; Nie, Jing; Zheng, Yan; Ma, Jun-An","Lithium binaphtholate-catalyzed enantioselective enyne addition to ketones: access to enynylated tertiary alcohols.","The Journal of organic chemistry","2014","79","12","5484","5493","10.1021/jo5005839","","","1.54184","CuKα","","0.0526","0.0453","","","0.1242","0.133","","","","","","1.023","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029533","8.351","0.009","11.258","0.011","18.802","0.019","90","","90","","90","","1768","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Cai, Hua; Nie, Jing; Zheng, Yan; Ma, Jun-An","Lithium binaphtholate-catalyzed enantioselective enyne addition to ketones: access to enynylated tertiary alcohols.","The Journal of organic chemistry","2014","79","12","5484","5493","10.1021/jo5005839","","","0.71073","MoKα","","0.2546","0.0532","","","0.0908","0.1592","","","","","","0.878","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029587","28.311","0.003","10.0361","0.0015","8.1588","0.0012","90","","90","","90","","2318.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Cl N3 O -","- C11 H12 Cl N3 O -","- C88 H96 Cl8 N24 O8 -","8","4","","Mishra, Kunj B.; Tiwari, Vinod K.","Click chemistry inspired synthesis of morpholine-fused triazoles.","The Journal of organic chemistry","2014","79","12","5752","5762","10.1021/jo500890w","","","0.71073","MoKα","","0.1595","0.0808","","","0.1945","0.2428","","","","","","1.031","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029588","10.7516","0.0016","5.7473","0.0007","11.2884","0.0011","90","","104.7","0.014","90","","674.71","0.15","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H14 N6 O -","- C14 H14 N6 O -","- C28 H28 N12 O2 -","2","1","","Mishra, Kunj B.; Tiwari, Vinod K.","Click chemistry inspired synthesis of morpholine-fused triazoles.","The Journal of organic chemistry","2014","79","12","5752","5762","10.1021/jo500890w","","","0.71073","MoKα","","0.1105","0.0602","","","0.1188","0.1462","","","","","","0.985","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029589","16.973","0.006","6.849","0.002","18.923","0.007","90","","105.83","0.03","90","","2116.3","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N6 O6 -","- C18 H26 N6 O6 -","- C72 H104 N24 O24 -","4","2","","Mishra, Kunj B.; Tiwari, Vinod K.","Click chemistry inspired synthesis of morpholine-fused triazoles.","The Journal of organic chemistry","2014","79","12","5752","5762","10.1021/jo500890w","","","0.71073","MoKα","","0.2575","0.0666","","","0.1296","0.2207","","","","","","0.933","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029590","10.6543","0.0008","14.9406","0.0012","9.9564","0.0007","90","","104.191","0.008","90","","1536.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N6 O2 -","- C14 H20 N6 O2 -","- C56 H80 N24 O8 -","4","1","","Mishra, Kunj B.; Tiwari, Vinod K.","Click chemistry inspired synthesis of morpholine-fused triazoles.","The Journal of organic chemistry","2014","79","12","5752","5762","10.1021/jo500890w","","","0.71073","MoKα","","0.1154","0.0639","","","0.1532","0.1823","","","","","","1.033","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029591","12.754","0.0004","6.03911","0.00017","19.9264","0.0007","90","","95.38","0.0015","90","","1528.03","0.08","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H56 O5 -","- C31 H56 O5 -","- C62 H112 O10 -","2","1","","Hirayama, Yui; Okuzumi, Keiko; Masubuti, Hironori; Uekusa, Hidehiro; Girault, Jean-Pierre; Fujimoto, Yoshinori","Stereochemical Assignment of C-24 and C-25 of Amarasterone A, a Putative Biosynthetic Intermediate of Cyasterone.","The Journal of organic chemistry","2014","79","12","5471","5477","10.1021/jo5005108","","","1.54186","CuKα","","0.0844","0.0564","","","0.1452","0.1772","","","","","","1.021","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029592","29.1632","0.0011","6.6782","0.0003","14.5294","0.0006","90","","98.666","0.001","90","","2797.4","0.2","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","1","","Hirayama, Yui; Okuzumi, Keiko; Masubuti, Hironori; Uekusa, Hidehiro; Girault, Jean-Pierre; Fujimoto, Yoshinori","Stereochemical Assignment of C-24 and C-25 of Amarasterone A, a Putative Biosynthetic Intermediate of Cyasterone.","The Journal of organic chemistry","2014","79","12","5471","5477","10.1021/jo5005108","","","0.71075","MoKα","","0.0388","0.036","","","0.095","0.0964","","","","","","1.052","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029593","14.9459","0.0004","19.7129","0.0005","36.9458","0.001","90","","90","","90","","10885.2","0.5","180.01","0.1","180.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C79 H31 Cl2 F5 O9 -","- C79 H31 Cl2 F5 O9 -","- C632 H248 Cl16 F40 O72 -","8","1","","Liang, Sisi; Xu, Liang; Jia, Zhenshan; Gan, Liangbing","Pentafluorophenyl Transfer Reaction: Preparation of Pentafluorophenyl [60]Fullerene Adducts through Opening of Fullerene Epoxide Moiety with Trispentafluorophenylborane.","The Journal of organic chemistry","2014","79","12","5794","5798","10.1021/jo5009228","","","0.7107","MoKα","","0.0857","0.0615","","","0.1443","0.1589","","","","","","1.043","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029594","12.1532","0.00018","12.1532","0.00018","35.5177","0.0008","90","","90","","90","","5245.97","0.16","","","99.94","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C26 Br N2 O3 -","- C26 Br N2 O3 -","- C208 Br8 N16 O24 -","8","1","","Reeves, Jonathan T.; Lorenc, Chris; Camara, Kaddy; Li, Zhibin; Lee, Heewon; Busacca, Carl A.; Senanayake, Chris H.","Carbamoyl anion addition to nitrones.","The Journal of organic chemistry","2014","79","12","5895","5902","10.1021/jo500848a","","","1.54178","Cu","","0.0722","0.0673","","","","0.2038","","","","","","0.9885","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029595","5.9579","0.0004","8.2268","0.0007","29.991","0.002","90","","90","","90","","1469.99","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N2 O4 -","- C16 H12 N2 O4 -","- C64 H48 N8 O16 -","4","1","","Dev, Dharm; Palakurthy, Nani Babu; Thalluri, Kishore; Chandra, Jyoti; Mandal, Bhubaneswar","Ethyl 2-Cyano-2-(2-nitrobenzenesulfonyloxyimino)acetate (o-NosylOXY): A Recyclable Coupling Reagent for Racemization-Free Synthesis of Peptide, Amide, Hydroxamate, and Ester.","The Journal of organic chemistry","2014","79","12","5420","5431","10.1021/jo500292m","","","0.71073","MoKα","","0.0994","0.0612","","","0.1567","0.1986","","","","","","0.917","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029596","11.7538","0.0017","11.8065","0.0017","22.371","0.003","90","","90","","90","","3104.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","RO_3-061","","","- C31 H47 N O4 Si -","- C31 H47 N O4 Si -","- C124 H188 N4 O16 Si4 -","4","1","","Ries, Oliver; Büschleb, Martin; Granitzka, Markus; Stalke, Dietmar; Ducho, Christian","Amino acid motifs in natural products: synthesis of O-acylated derivatives of (2S,3S)-3-hydroxyleucine.","Beilstein journal of organic chemistry","2014","10","","1135","1142","10.3762/bjoc.10.113","","","0.71073","MoKα","","0.0292","0.0271","","","0.0641","0.0655","","","","","","1.061","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029597","7.6353","0.0011","8.0212","0.0017","12.559","0.003","88.846","0.019","76.201","0.017","66.218","0.017","681","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","Diethyl 2-fluoro-2-(2-nitrophenyl)-malonate","","- C13 H14 F N O6 -","- C13 H14 F N O6 -","- C26 H28 F2 N2 O12 -","2","1","","Harsanyi, Antal; Sandford, Graham; Yufit, Dmitri S.; Howard, Judith Ak","Syntheses of fluorooxindole and 2-fluoro-2-arylacetic acid derivatives from diethyl 2-fluoromalonate ester.","Beilstein journal of organic chemistry","2014","10","","1213","1219","10.3762/bjoc.10.119","","","0.7107","MoKα","Mo","0.1339","0.0733","","","0.1489","0.1932","","","","","","1.014","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029598","7.2946","0.0007","16.473","0.002","7.7761","0.0011","90","","90","","90","","934.4","0.2","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl 2-fluoro-2-(2-nitrophenyl)acetate","","- C9 H8 F N O4 -","- C9 H8 F N O4 -","- C36 H32 F4 N4 O16 -","4","1","","Harsanyi, Antal; Sandford, Graham; Yufit, Dmitri S.; Howard, Judith Ak","Syntheses of fluorooxindole and 2-fluoro-2-arylacetic acid derivatives from diethyl 2-fluoromalonate ester.","Beilstein journal of organic chemistry","2014","10","","1213","1219","10.3762/bjoc.10.119","","","0.7107","MoKα","Mo","0.086","0.0534","","","0.1065","0.1266","","","","","","1.096","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029599","5.6568","0.0003","15.4823","0.0009","7.1654","0.0004","90","","96.767","0.002","90","","623.18","0.06","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-fluoromethyl-3-nitropyridine","","- C6 H5 F N2 O2 -","- C6 H5 F N2 O2 -","- C24 H20 F4 N8 O8 -","4","1","","Harsanyi, Antal; Sandford, Graham; Yufit, Dmitri S.; Howard, Judith Ak","Syntheses of fluorooxindole and 2-fluoro-2-arylacetic acid derivatives from diethyl 2-fluoromalonate ester.","Beilstein journal of organic chemistry","2014","10","","1213","1219","10.3762/bjoc.10.119","","x-ray","0.71073","MoKα","K-L~3~","0.0587","0.0462","","","0.1217","0.1347","","","","","","1.036","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029600","10.603","0.002","14.746","0.003","10.89","0.002","90","","92.786","0.006","90","","1700.7","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H32 N2 O8 S -","- C40 H32 N2 O8 S -","- C80 H64 N4 O16 S2 -","2","1","","Mitra, Tapobrata; Jana, Saibal; Pandey, Sharmila; Bhattacharya, Prabuddha; Khamrai, Uttam K.; Anoop, Anakuthil; Basak, Amit","Asymmetric garratt-braverman cyclization: a route to axially chiral aryl naphthalene-amino Acid hybrids.","The Journal of organic chemistry","2014","79","12","5608","5616","10.1021/jo500771g","","","0.71073","MoKα","","0.1217","0.0519","","","0.0778","0.0976","","","","","","0.986","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4029601","8.8819","0.0017","13.355","0.003","16.688","0.003","102.679","0.005","97.844","0.006","90.512","0.005","1911.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 O6 S -","- C22 H18 O6 S -","- C88 H72 O24 S4 -","4","2","","Mitra, Tapobrata; Jana, Saibal; Pandey, Sharmila; Bhattacharya, Prabuddha; Khamrai, Uttam K.; Anoop, Anakuthil; Basak, Amit","Asymmetric garratt-braverman cyclization: a route to axially chiral aryl naphthalene-amino Acid hybrids.","The Journal of organic chemistry","2014","79","12","5608","5616","10.1021/jo500771g","","","0.71073","MoKα","","0.0935","0.0628","","","0.155","0.1735","","","","","","1.052","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029602","32.815","0.008","11.058","0.003","25.545","0.006","90","","124.773","0.004","90","","7614","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cu F6 N4 P -","- C42 H48 Cu F6 N4 P -","- C336 H384 Cu8 F48 N32 P8 -","8","1","","Tran, Anh T.; Liu, Peng; Houk, K. N.; Nicholas, Kenneth M.","Regioselectivity in the cu(i)-catalyzed [4 + 2]-cycloaddition of 2-nitrosopyridine with unsymmetrical dienes.","The Journal of organic chemistry","2014","79","12","5617","5626","10.1021/jo5005907","","","0.71073","MoKα","","0.0702","0.0524","","","0.1151","0.1249","","","","","","1.007","","","","has coordinates","288477","2023-12-21","15:52:16",""
"4029603","10.7584","0.0003","41.2284","0.0011","9.1427","0.0002","90","","90","","90","","4055.26","0.18","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C14 H9 N3 -","- C14 H9 N3 -","- C224 H144 N48 -","16","1","","Li, Chao; Zhang, Wen-Ting; Wang, Xiang-Shan","CuI-Catalyzed C-N Bond Formation and Cleavage for the Synthesis of Benzimidazo[1,2-a]quinazoline Derivatives.","The Journal of organic chemistry","2014","79","12","5847","5851","10.1021/jo5007398","","","0.71073","MoKα","","0.0315","0.0273","","","0.0658","0.0688","","","","","","1.086","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029604","9.8867","0.0005","5.6677","0.0003","11.9084","0.0006","90","","98.44","0.005","90","","660.06","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 I O2 -","- C15 H11 I O2 -","- C30 H22 I2 O4 -","2","1","","Kong, Wei; Che, Chao; Wu, Jialin; Ma, Liai; Zhu, Gangguo","Pd-Catalyzed Regio- and Stereoselective Addition of Boronic Acids to Silylacetylenes: A Stereodivergent Assembly of β,β-Disubstituted Alkenylsilanes and Alkenyl Halides.","The Journal of organic chemistry","2014","79","12","5799","5805","10.1021/jo500925p","","","0.71073","MoKα","","0.0513","0.0409","","","0.0776","0.0851","","","","","","1.005","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029605","9.981","0.013","8.448","0.01","15.97","0.02","90","","103.21","0.02","90","","1311","3","93","","93","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Ishihara, Jun; Tsuru, Hiroaki; Hatakeyama, Susumi","Total synthesis of (-)-dihydrosporothriolide utilizing an indium-mediated reformatsky-claisen rearrangement.","The Journal of organic chemistry","2014","79","12","5908","5913","10.1021/jo5008948","","","0.71075","MoKα","","","0.0386","","","","0.083","","","","","","0.995","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029606","10.8805","0.0002","17.9631","0.0006","10.2119","0.0007","90","","110.147","0.008","90","","1873.77","0.18","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","rac-(R)-tert-butyl 2-((R)-3-acetyl-3,4-dihydroquinazolin-4-yl)-5-oxo-2,5 -dihydro-1H-pyrrole-1-carboxylate","","- C19 H21 N3 O4 -","- C19 H21 N3 O4 -","- C76 H84 N12 O16 -","4","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0523","0.0434","","","0.1099","0.1376","","","","","","1.149","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029607","8.1942","0.0002","14.4078","0.0005","10.1791","0.0007","90","","96.39","0.007","90","","1194.28","0.1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2-acetyl-1,2-dihydrophthalazin-1-yl)furan-2(5H)-one","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0736","0.0551","","","0.1457","0.1825","","","","","","1.209","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029608","12.0964","0.0008","12.2829","0.0004","10.317","0.0002","90","","90","","90","","1532.89","0.12","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-(5-acetyl-5,6-dihydrophenanthridin-6-yl)furan-2(5H)-one","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0366","0.0345","","","0.0866","0.0896","","","","","","1.061","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029609","32.2117","0.0018","9.1944","0.0004","23.1388","0.0016","90","","132.2","0.009","90","","5076.7","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(R)-tert-butyl 2-((R)-5-acetyl-5,6-dihydrophenanthridin-6-yl)- 5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate compound with deuterated chloroform (1:1)","","- C25 H24 Cl3 D N2 O4 -","- C25 H24 Cl3 D N2 O4 -","- C200 H192 Cl24 D8 N16 O32 -","8","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0944","0.057","","","0.153","0.1881","","","","","","1.04","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029610","11.2819","0.0003","16.3676","0.0004","23.2672","0.0016","90","","90","","90","","4296.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","rac-(R)-tert-butyl 2-((R)-2-acetyl-6,7-dimethoxy-1,2-dihydroisoquinolin-1-yl)- 5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C176 H208 N16 O48 -","8","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0888","0.0661","","","0.167","0.1877","","","","","","1.133","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029611","9.6682","0.0003","7.7791","0.0003","21.5345","0.0015","90","","98.014","0.007","90","","1603.79","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(R)-methyl 6-((R)-5-oxo-2,5-dihydrofuran-2-yl)phenanthridine-5(6H)-carboxylate","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C76 H60 N4 O16 -","4","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0814","0.0506","","","0.1425","0.1824","","","","","","1.098","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029612","9.5063","0.0008","15.9513","0.0014","26.92","0.002","90","","90","","90","","4082.1","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5,5-dimethyl-10,15,20-tris(pentafluorophenyl)phlorin","","- C40 H17 F15 N4 -","- C40 H17 F15 N4 -","- C160 H68 F60 N16 -","4","1","","Bruce, Alexandra M.; Weyburne, Emily S.; Engle, James T.; Ziegler, Christopher J.; Geier, 3rd, G Richard","Phlorins Bearing Different Substituents at the sp(3)-Hybridized Meso-Position.","The Journal of organic chemistry","2014","79","12","5664","5672","10.1021/jo5008256","","","0.71073","MoKα","","0.1103","0.067","","","0.0688","0.0733","","","","","","1.451","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029613","8.3212","0.0009","14.29","0.0015","24.645","0.003","103.203","0.007","95.918","0.007","103.877","0.005","2730.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5,5-diphenyl-10,15,20-tris(pentafluorophenyl)phlorin","","- C55 H26 F15 N5 -","- C55 H26 F15 N5 -","- C110 H52 F30 N10 -","2","1","","Bruce, Alexandra M.; Weyburne, Emily S.; Engle, James T.; Ziegler, Christopher J.; Geier, 3rd, G Richard","Phlorins Bearing Different Substituents at the sp(3)-Hybridized Meso-Position.","The Journal of organic chemistry","2014","79","12","5664","5672","10.1021/jo5008256","","","1.54178","CuKα","","0.066","0.0628","","","0.2435","0.2484","","","","","","2.237","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029614","27.4367","0.0011","8.4546","0.0004","43.997","0.0017","90","","96.863","0.003","90","","10132.7","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-methyl-5-phenyl-10,15,20-tris(pentafluorophenyl)phlorin","","- C45 H19 F15 N4 -","- C45 H19 F15 N4 -","- C360 H152 F120 N32 -","8","1","","Bruce, Alexandra M.; Weyburne, Emily S.; Engle, James T.; Ziegler, Christopher J.; Geier, 3rd, G Richard","Phlorins Bearing Different Substituents at the sp(3)-Hybridized Meso-Position.","The Journal of organic chemistry","2014","79","12","5664","5672","10.1021/jo5008256","","","1.54178","CuKα","","0.1094","0.0769","","","0.198","0.215","","","","","","0.871","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029615","11.832","0.002","19.09","0.007","15.757","0.004","90","","100.83","0.02","90","","3495.7","1.7","296","0.1","296","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C160 H136 N8 O32 -","8","1","","Zhou, Nini; Xie, Tao; Liu, Lin; Xie, Zhixiang","Cu/Mn Co-oxidized Cyclization for the Synthesis of Highly Substituted Pyrrole Derivatives from Amino Acid Esters: A Strategy for the Biomimetic Syntheses of Lycogarubin C and Chromopyrrolic Acid.","The Journal of organic chemistry","2014","79","13","6061","6068","10.1021/jo500740w","","","0.7107","MoKα","","0.1681","0.0851","","","0.1973","0.295","","","","","","0.947","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029616","19.3293","0.0013","4.6077","0.0003","14.1682","0.0009","90","","110.229","0.003","90","","1184.04","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AS-409","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C44 H48 N16 O8 S4 -","4","1","","Dürüst, Yaşar; Sağırlı, Akın","Microwave-Assisted Coupling Reaction of N-Aryl Sydnones with 2-Nitromethylenethiazolidine: Unexpected Formation of (Z)-2-(Nitro((E)-p-substitutedphenyldiazenyl)methylene)thiazolidines.","The Journal of organic chemistry","2014","79","13","6380","6384","10.1021/jo5010229","","","0.71073","MoKα","","0.0543","0.0379","","","0.0847","0.0927","","","","","","1.036","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029617","9.1941","0.0014","6.6988","0.001","13.353","0.002","90","","98.298","0.002","90","","813.8","0.2","135","2","135","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","","Bayir, Ali; Brewer, Matthias","Fragmentation of Bicyclic γ-Silyloxy-β-hydroxy-α-diazolactones as an Approach to Ynolides.","The Journal of organic chemistry","2014","79","13","6037","6046","10.1021/jo500634d","","","0.71073","MoKα","","0.0424","0.0386","","","0.1071","0.1111","","","","","","1.071","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029618","13.084","0.003","11.765","0.002","14.203","0.003","90","","105.26","0.03","90","","2109.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 O3 -","- C29 H22 O3 -","- C116 H88 O12 -","4","1","","Zhu, Shifa; Huang, Hua; Zhang, Zhicai; Ma, Tongmei; Jiang, Huanfeng","Mechanistic insight into transition metal-catalyzed reaction of enynal/enynone with alkenes: metal-dependent reaction pathway.","The Journal of organic chemistry","2014","79","13","6113","6122","10.1021/jo500838x","","","0.71073","MoKα","","0.055","0.0411","","","0.1345","0.1487","","","","","","1.058","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029623","5.6255","0.0017","16.167","0.005","23.905","0.008","90","","93","0.006","90","","2171.1","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Cl4 O8 -","- C48 H38 Cl4 O8 -","- C96 H76 Cl8 O16 -","2","0.5","","Alcaide, Benito; Almendros, Pedro; Quirós, M Teresa; Lázaro, Carlos; Torres, M. Rosario","Three-Step Metal-Promoted Allene-Based Preparation of Bis(heterocyclic) Cyclophanes from Carbonyl Compounds.","The Journal of organic chemistry","2014","79","13","6244","6255","10.1021/jo500993x","","","0.71073","MoKα","","0.2172","0.0605","","","0.1225","0.1501","","","","","","0.997","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029624","8.6543","0.0006","12.7816","0.0009","29.198","0.002","90","","90","","90","","3229.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 N2 O8 -","- C34 H40 N2 O8 -","- C136 H160 N8 O32 -","4","1","","Alcaide, Benito; Almendros, Pedro; Quirós, M Teresa; Lázaro, Carlos; Torres, M. Rosario","Three-Step Metal-Promoted Allene-Based Preparation of Bis(heterocyclic) Cyclophanes from Carbonyl Compounds.","The Journal of organic chemistry","2014","79","13","6244","6255","10.1021/jo500993x","","","0.71073","MoKα","","0.1333","0.0421","","","0.058","0.0685","","","","","","0.998","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029625","9.4436","0.0015","9.3132","0.0016","17.109","0.003","90","","93.774","0.004","90","","1501.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 F O3 S -","- C16 H15 F O3 S -","- C64 H60 F4 O12 S4 -","4","1","","Wang, Wengui; Shen, Haiming; Wan, Xiao-Long; Chen, Qing-Yun; Guo, Yong","Enantioselective Pd-Catalyzed Allylation of Acyclic α-Fluorinated Ketones.","The Journal of organic chemistry","2014","79","13","6347","6353","10.1021/jo500923u","","","0.71073","MoKα","","0.0716","0.0463","","","0.1117","0.1266","","","","","","1.039","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029626","8.9439","0.0015","11.99","0.002","14.673","0.002","107.716","0.012","96.599","0.013","100.669","0.013","1448.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 N2 O7 S2 -","- C28 H34 N2 O7 S2 -","- C56 H68 N4 O14 S4 -","2","1","","Beiginejad, Hadi; Nematollahi, Davood","Electrochemical synthesis of sulfonamide derivatives based on the oxidation of 2,5-diethoxy-4-morpholinoaniline in the presence of arylsulfinic acids.","The Journal of organic chemistry","2014","79","13","6326","6329","10.1021/jo500812d","","","0.71073","MoKα","","0.0912","0.0851","","","0.1918","0.1992","","","","","","1.573","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029627","6.3618","0.0004","14.8963","0.0013","26.543","0.002","90","","90","","90","","2515.4","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N5 O7 -","- C23 H29 N5 O7 -","- C92 H116 N20 O28 -","4","1","","Milli, Lorenzo; Larocca, Michele; Tedesco, Mattia; Castellucci, Nicola; Ghibaudi, Elena; Cornia, Andrea; Calvaresi, Matteo; Zerbetto, Francesco; Tomasini, Claudia","α,ε-Hybrid Foldamers with 1,2,3-Triazole Rings: Order versus Disorder.","The Journal of organic chemistry","2014","79","13","5958","5969","10.1021/jo500963n","","","0.71073","MoKα","","0.0972","0.0466","","","0.0759","0.0873","","","","","","0.959","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029628","11.3992","0.0007","9.8228","0.0004","19.0001","0.0012","90","","94.297","0.002","90","","2121.5","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H45 N10 O11 -","- C37 H45 N10 O11 -","- C74 H90 N20 O22 -","2","1","","Milli, Lorenzo; Larocca, Michele; Tedesco, Mattia; Castellucci, Nicola; Ghibaudi, Elena; Cornia, Andrea; Calvaresi, Matteo; Zerbetto, Francesco; Tomasini, Claudia","α,ε-Hybrid Foldamers with 1,2,3-Triazole Rings: Order versus Disorder.","The Journal of organic chemistry","2014","79","13","5958","5969","10.1021/jo500963n","","","0.71073","MoKα","","0.0801","0.0534","","","0.1356","0.1504","","","","","","1.018","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029629","8.7493","0.0012","9.6705","0.0014","10.0013","0.0014","81.549","0.002","65.834","0.002","75.133","0.002","745.36","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Br N4 O -","- C14 H23 Br N4 O -","- C28 H46 Br2 N8 O2 -","2","1","","Semakin, Artem N.; Sukhorukov, Alexey Yu; Nelyubina, Yulia V.; Khomutova, Yulia A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Urotropine isomer (1,4,6,10-tetraazaadamantane): synthesis, structure, and chemistry.","The Journal of organic chemistry","2014","79","13","6079","6086","10.1021/jo5007703","","","0.71073","MoKα","","0.0366","0.0287","","","0.0661","0.0691","","","","","","1.007","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029630","11.10561","0.00017","12.50496","0.00019","14.4266","0.0002","90","","97.9938","0.0014","90","","1984.03","0.05","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl2 N4 S Zn -","- C19 H18 Cl2 N4 S Zn -","- C76 H72 Cl8 N16 S4 Zn4 -","4","1","","Vonlanthen, Mireille; Connelly, Colleen M.; Deiters, Alexander; Linden, Anthony; Finney, Nathaniel S.","Thiourea-based fluorescent chemosensors for aqueous metal ion detection and cellular imaging.","The Journal of organic chemistry","2014","79","13","6054","6060","10.1021/jo500710g","","","0.71073","MoKα","","0.0335","0.026","","","0.0585","0.0627","","","","","","1.055","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4029631","5.2823","0.0005","43.495","0.004","9.5276","0.0006","90","","119.975","0.004","90","","1896.2","0.3","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H11 Br F4 O2 -","- C24 H11 Br F4 O2 -","- C96 H44 Br4 F16 O8 -","4","1","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.1088","0.0894","","","0.179","0.1853","","","","","","1.272","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029632","9.8898","0.0007","26.9161","0.0019","7.5176","0.0005","90","","97.266","0.001","90","","1985.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H14 Br F3 O2 -","- C25 H14 Br F3 O2 -","- C100 H56 Br4 F12 O8 -","4","1","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.0656","0.0476","","","0.1044","0.111","","","","","","1.076","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029633","10.581","0.0015","25.437","0.004","7.4819","0.0011","90","","101.72","0.002","90","","1971.8","0.5","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H11 F4 I O2 -","- C24 H11 F4 I O2 -","- C96 H44 F16 I4 O8 -","4","1","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.0421","0.0312","","","0.0649","0.0689","","","","","","1.066","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029634","7.4366","0.0004","10.2527","0.0005","13.9827","0.0007","102.272","0.001","101.077","0.001","102.529","0.001","984.72","0.09","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H14 Cl F3 O2 -","- C25 H14 Cl F3 O2 -","- C50 H28 Cl2 F6 O4 -","2","1","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.042","0.0327","","","0.0788","0.0835","","","","","","1.035","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029635","11.1682","0.0011","7.7306","0.0008","21.808","0.002","90","","101.726","0.002","90","","1843.5","0.3","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H10 Br F4 N -","- C25 H10 Br F4 N -","- C100 H40 Br4 F16 N4 -","4","1","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.0316","0.0258","","","0.0654","0.0678","","","","","","1.027","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029636","8.1996","0.0003","11.0966","0.0005","21.8061","0.0009","76.617","0.001","80.379","0.001","88.778","0.001","1902.75","0.14","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H10 F4 I N -","- C25 H10 F4 I N -","- C100 H40 F16 I4 N4 -","4","2","","Widner, Danielle L.; Knauf, Qianwei R.; Merucci, Mark T.; Fritz, Thomas R.; Sauer, Jon S.; Speetzen, Erin D.; Bosch, Eric; Bowling, Nathan P.","Intramolecular halogen bonding supported by an aryldiyne linker.","The Journal of organic chemistry","2014","79","13","6269","6278","10.1021/jo501015x","","","0.71073","MoKα","","0.0217","0.0194","","","0.0443","0.0455","","","","","","1.074","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029637","8.357","0.0005","10.5669","0.0009","10.885","0.0007","90","","90","","90","","961.23","0.12","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Takagi, Koji; Al-Amin, Mohammad; Hoshiya, Naoyuki; Wouters, Johan; Sugimoto, Hiroshi; Shiro, Yoshitsugu; Fukuda, Hayato; Shuto, Satoshi; Arisawa, Mitsuhiro","Palladium-Nanoparticle-Catalyzed 1,7-Palladium Migration Involving C-H Activation, Followed by Intramolecular Amination: Regioselective Synthesis of N1-Arylbenzotriazoles and an Evaluation of Their Inhibitory Activity toward Indoleamine 2,3-Dioxygenase.","The Journal of organic chemistry","2014","79","13","6366","6371","10.1021/jo5009838","","","0.71073","MoKα","","0.0296","0.0286","","","0.0765","0.0772","","","","","","1.069","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029638","8.048","0.002","8.856","0.002","11.42","0.003","83.591","0.005","83.761","0.005","69.162","0.005","753.9","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C38 H28 O8 -","2","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0816","0.0646","","","0.1765","0.189","","","","","","1.063","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029639","11.8725","0.0016","13.22","0.0017","12.4188","0.0016","90","","102.876","0.003","90","","1900.2","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0591","0.0428","","","0.1021","0.1101","","","","","","1.035","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029640","11.919","0.003","12.417","0.003","14.246","0.004","65.888","0.005","68.574","0.005","80.752","0.005","1791.3","0.8","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C96 H64 O16 -","4","2","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.1056","0.0893","","","0.2455","0.2626","","","","","","1.019","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029641","17.8867","0.0014","13.1372","0.0011","7.7251","0.0006","90","","90.981","0.002","90","","1815","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C96 H64 O16 -","4","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0751","0.0497","","","0.1263","0.1361","","","","","","1.158","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029642","17.3561","0.0017","7.9958","0.0008","12.4699","0.0013","90","","115.147","0.001","90","","1566.5","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","0.5","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0516","0.0451","","","0.1173","0.1229","","","","","","1.045","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029643","12.5816","0.0005","15.5161","0.0006","18.1947","0.0007","90","","97.332","0.001","90","","3522.9","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C168 H144 O32 -","8","2","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0721","0.0459","","","0.1132","0.1272","","","","","","1.045","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029644","12.3999","0.0005","4.6759","0.0002","22.7022","0.0009","90","","105.674","0.002","90","","1267.34","0.09","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0545","0.0457","","","0.1261","0.132","","","","","","1.104","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029645","7.693","0.0003","11.2962","0.0005","11.8573","0.0005","74.464","0.001","71.929","0.001","83.348","0.001","943.2","0.07","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H18 O4 -","- C25 H18 O4 -","- C50 H36 O8 -","2","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0543","0.0408","","","0.0978","0.1045","","","","","","1.051","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029646","31.285","0.005","12.3872","0.0019","9.6298","0.0017","90","","104.768","0.005","90","","3608.6","1","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C160 H112 O32 -","8","1","","Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F.","Bridged tolanes: a twisted tale.","The Journal of organic chemistry","2014","79","14","6571","6578","10.1021/jo5010235","","","0.71073","MoKα","","0.0862","0.0541","","","0.128","0.1423","","","","","","1.039","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029647","9.6418","0.0003","27.8197","0.0007","13.1253","0.0003","90","","109.997","0.001","90","","3308.37","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Br O5 -","- C17 H19 Br O5 -","- C136 H152 Br8 O40 -","8","2","","Alvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Angel L","Nucleophilic Addition/Double Cyclization Cascade Processes between Enynyl Fischer Carbene Complexes and Alkynyl Malonates.","The Journal of organic chemistry","2014","79","14","6419","6423","10.1021/jo500378z","","","1.54184","CuKα","","0.048","0.0472","","","0.136","0.1369","","","","","","1.045","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029648","8.5989","0.0001","7.9316","0.0001","25.5665","0.0003","90","","91.71","0.001","90","","1742.94","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Alvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Angel L","Nucleophilic Addition/Double Cyclization Cascade Processes between Enynyl Fischer Carbene Complexes and Alkynyl Malonates.","The Journal of organic chemistry","2014","79","14","6419","6423","10.1021/jo500378z","","","1.54184","CuKα","","0.0636","0.0381","","","0.0844","0.089","","","","","","0.803","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029649","7.69","0.0003","10.0039","0.0005","11.5864","0.0008","69.737","0.001","83.163","0.001","80.305","0.001","822.46","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C38 H48 O10 -","2","1","","Alvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Angel L","Nucleophilic Addition/Double Cyclization Cascade Processes between Enynyl Fischer Carbene Complexes and Alkynyl Malonates.","The Journal of organic chemistry","2014","79","14","6419","6423","10.1021/jo500378z","","","1.54184","CuKα","","0.0409","0.04","","","0.1061","0.1068","","","","","","1.079","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029650","17.184","0.003","10.142","0.002","12.177","0.002","90","","106.912","0.002","90","","2030.4","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C96 H96 N16 O8 -","8","1","","Zhang, Yan; Zheng, Jing; Cui, Sunliang","Rh(III)-Catalyzed C-H Activation/Cyclization of Indoles and Pyrroles: Divergent Synthesis of Heterocycles.","The Journal of organic chemistry","2014","79","14","6490","6500","10.1021/jo500902n","","","0.71073","MoKα","","0.0688","0.0516","","","0.1443","0.1569","","","","","","1.004","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029651","9.0763","0.0005","12.2352","0.0005","12.0706","0.0007","90","","107.042","0.006","90","","1281.59","0.12","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","1","","Zhang, Yan; Zheng, Jing; Cui, Sunliang","Rh(III)-Catalyzed C-H Activation/Cyclization of Indoles and Pyrroles: Divergent Synthesis of Heterocycles.","The Journal of organic chemistry","2014","79","14","6490","6500","10.1021/jo500902n","","","0.71073","MoKα","","0.0532","0.0395","","","0.0909","0.0987","","","","","","1.046","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029652","7.924","0.0005","10.1644","0.0008","11.0285","0.0008","110.602","0.007","110.187","0.007","95.953","0.006","754.32","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C36 H28 N4 O6 -","2","1","","Zhang, Yan; Zheng, Jing; Cui, Sunliang","Rh(III)-Catalyzed C-H Activation/Cyclization of Indoles and Pyrroles: Divergent Synthesis of Heterocycles.","The Journal of organic chemistry","2014","79","14","6490","6500","10.1021/jo500902n","","","0.71073","MoKα","","0.0625","0.0437","","","0.0967","0.1097","","","","","","1.036","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029653","12.3245","0.0005","12.522","0.0006","16.8567","0.0008","99.594","0.0014","110.951","0.0013","104.075","0.0014","2262.27","0.18","300","2","300","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H49 Cl3 N5 Na O6 -","- C43 H49 Cl3 N5 Na O6 -","- C86 H98 Cl6 N10 Na2 O12 -","2","1","","Lee, Jung Ha; Lee, Ji Hyun; Choi, Ye Rin; Kang, Philjae; Choi, Moon-Gun; Jeong, Kyu-Sung","Synthetic K+/Cl—Selective Symporter across a Phospholipid Membrane","The Journal of Organic Chemistry","2014","79","14","6403","","10.1021/jo501145z","","","0.71073","MoKα","","0.1505","0.0776","","","0.1901","0.2289","","","","","","1.021","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029656","6.282","0.015","25.09","0.06","6.268","0.015","90","","94.09","0.03","90","","985","4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Liang, Demin; Zou, Yue; Wang, Quanrui; Goeke, Andreas","Sequential Diels-Alder Reaction/Rearrangement Sequence: Synthesis of Functionalized Bicyclo[2.2.1]heptane Derivatives and Revision of Their Relative Configuration.","The Journal of organic chemistry","2014","79","14","6726","6731","10.1021/jo500942a","","","0.71073","MoKα","","0.0689","0.0529","","","0.1495","0.1654","","","","","","1.102","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029657","6.082","0.003","11.612","0.005","12.591","0.005","66.576","0.004","79.752","0.004","88.139","0.004","802.2","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","Liang, Demin; Zou, Yue; Wang, Quanrui; Goeke, Andreas","Sequential Diels-Alder Reaction/Rearrangement Sequence: Synthesis of Functionalized Bicyclo[2.2.1]heptane Derivatives and Revision of Their Relative Configuration.","The Journal of organic chemistry","2014","79","14","6726","6731","10.1021/jo500942a","","","0.71073","MoKα","","0.0586","0.0478","","","0.1386","0.1487","","","","","","1.059","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029658","7.9306","0.0013","15.123","0.002","12.1926","0.0019","90","","105.512","0.002","90","","1409","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[isoquinyl-br]","","","- C19 H12 Br N -","- C19 H12 Br N -","- C76 H48 Br4 N4 -","4","1","","Bentley, Keith W.; Wolf, Christian","Comprehensive Chirality Sensing: Development of Stereodynamic Probes with a Dual (Chir)optical Response.","The Journal of organic chemistry","2014","79","14","6517","6531","10.1021/jo500959y","","","0.71073","MoKα","","0.0386","0.0319","","","0.0904","0.0927","","","","","","1.078","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029659","21.461","0.002","7.9205","0.0008","16.9348","0.0016","90","","103.402","0.001","90","","2800.2","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[salicyl-br]","","","- C18 H12 Br O2 -","- C18 H12 Br O2 -","- C144 H96 Br8 O16 -","8","1","","Bentley, Keith W.; Wolf, Christian","Comprehensive Chirality Sensing: Development of Stereodynamic Probes with a Dual (Chir)optical Response.","The Journal of organic chemistry","2014","79","14","6517","6531","10.1021/jo500959y","","","0.71073","MoKα","","0.0434","0.0354","","","0.1036","0.1062","","","","","","1.062","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029660","12.362","0.003","14.611","0.003","19.273","0.004","90","","90","","90","","3481.1","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","imine","","","- C41 H31 Cl3 N2 O3 -","- C41 H31 Cl3 N2 O3 -","- C164 H124 Cl12 N8 O12 -","4","1","","Bentley, Keith W.; Wolf, Christian","Comprehensive Chirality Sensing: Development of Stereodynamic Probes with a Dual (Chir)optical Response.","The Journal of organic chemistry","2014","79","14","6517","6531","10.1021/jo500959y","","","0.71073","MoKα","","0.0545","0.0401","","","0.084","0.089","","","","","","1.049","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029661","9.3196","0.0008","14.6659","0.0012","15.9831","0.0013","90","","90","","90","","2184.6","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","[anthracene]","","","- C32 H22 O2 -","- C32 H22 O2 -","- C128 H88 O8 -","4","1","","Bentley, Keith W.; Wolf, Christian","Comprehensive Chirality Sensing: Development of Stereodynamic Probes with a Dual (Chir)optical Response.","The Journal of organic chemistry","2014","79","14","6517","6531","10.1021/jo500959y","","","0.71073","MoKα","","0.0399","0.0343","","","0.0849","0.0872","","","","","","1.011","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029662","9.841","0.005","10.425","0.005","19.35","0.01","78.097","0.007","89.125","0.007","73.819","0.007","1863.6","1.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H34 N4 -","- C48 H34 N4 -","- C96 H68 N8 -","2","1","","Lu, Xuefeng; Fan, Suhua; Wu, Jinhong; Jia, Xiaowei; Wang, Zhong-Sheng; Zhou, Gang","Controlling the charge transfer in d-a-d chromophores based on pyrazine derivatives.","The Journal of organic chemistry","2014","79","14","6480","6489","10.1021/jo500856k","","","0.71073","MoKα","","0.0879","0.0604","","","0.1717","0.1858","","","","","","1.004","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029663","10.685","0.002","11.672","0.003","15.495","0.003","71.759","0.003","83.525","0.004","79.61","0.004","1802","0.7","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H34 N4 -","- C48 H34 N4 -","- C96 H68 N8 -","2","1","","Lu, Xuefeng; Fan, Suhua; Wu, Jinhong; Jia, Xiaowei; Wang, Zhong-Sheng; Zhou, Gang","Controlling the charge transfer in d-a-d chromophores based on pyrazine derivatives.","The Journal of organic chemistry","2014","79","14","6480","6489","10.1021/jo500856k","","","0.71073","MoKα","","0.0875","0.0586","","","0.1794","0.1999","","","","","","1.043","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029664","10.2238","0.0017","16.902","0.003","10.8891","0.0018","90","","94.605","0.003","90","","1875.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C88 H84 N4 O12 S4 -","4","1","","Ghorai, Manas K.; Sahoo, Ashis Kumar; Bhattacharyya, Aditya","Syntheses of Imidazo-, Oxa-, and Thiazepine Ring Systems via Ring-Opening of Aziridines/Cu-Catalyzed C-N/C-C Bond Formation.","The Journal of organic chemistry","2014","79","14","6468","6479","10.1021/jo500888j","","","0.71073","MoKα","","0.081","0.0559","","","0.1352","0.2015","","","","","","1.194","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029665","10.604","0.005","10.677","0.005","11.678","0.005","66.35","0.005","80.173","0.005","74.336","0.005","1163.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N2 O2 S -","- C29 H26 N2 O2 S -","- C58 H52 N4 O4 S2 -","2","1","","Ghorai, Manas K.; Sahoo, Ashis Kumar; Bhattacharyya, Aditya","Syntheses of Imidazo-, Oxa-, and Thiazepine Ring Systems via Ring-Opening of Aziridines/Cu-Catalyzed C-N/C-C Bond Formation.","The Journal of organic chemistry","2014","79","14","6468","6479","10.1021/jo500888j","","","0.71069","MoKα","","0.0531","0.0394","","","0.0903","0.0975","","","","","","1.02","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029666","9.5758","0.0006","11.8423","0.0007","13.6132","0.0009","99.878","0.003","91.632","0.003","100.298","0.003","1493.56","0.16","115","","115","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H27 N7 Ni -","- C40 H27 N7 Ni -","- C80 H54 N14 Ni2 -","2","1","","Devillers, Charles H.; Hebié, Seydou; Lucas, Dominique; Cattey, Hélène; Clément, Sébastien; Richeter, Sébastien","Aromatic Nucleophilic Substitution (SNAr) of meso-Nitroporphyrin with Azide and Amines as an Alternative Metal Catalyst Free Synthetic Approach To Obtain meso-N-Substituted Porphyrins.","The Journal of organic chemistry","2014","79","14","6424","6434","10.1021/jo5005586","","x-ray","0.71073","MoKα","","0.0459","0.0329","","","0.0765","0.0823","","","","","","1.024","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029667","10.1608","0.0005","13.0894","0.0007","15.4826","0.0008","75.664","0.002","72.801","0.002","86.751","0.002","1905.53","0.17","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C101 H78 N10 Ni2 O2 -","- C101 H78 N10 Ni2 O2 -","- C101 H78 N10 Ni2 O2 -","1","0.5","","Devillers, Charles H.; Hebié, Seydou; Lucas, Dominique; Cattey, Hélène; Clément, Sébastien; Richeter, Sébastien","Aromatic Nucleophilic Substitution (SNAr) of meso-Nitroporphyrin with Azide and Amines as an Alternative Metal Catalyst Free Synthetic Approach To Obtain meso-N-Substituted Porphyrins.","The Journal of organic chemistry","2014","79","14","6424","6434","10.1021/jo5005586","","x-ray","0.71073","MoKα","","0.0454","0.0376","","","0.0976","0.1031","","","","","","1.031","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029668","7.2094","0.0009","16.0529","0.0017","20.751","0.002","72.471","0.003","89.382","0.003","79.536","0.003","2249.5","0.4","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C54 H40 F4 O2 S6 -","- C54 H40 F4 O2 S6 -","- C108 H80 F8 O4 S12 -","2","1","","Ohtake, Toshihiro; Tanaka, Hideki; Matsumoto, Tetsuro; Kimura, Mutsumi; Ohta, Akira","Redox-Driven Molecular Switches Consisting of Bis(benzodithiolyl)bithienyl Scaffold and Mesogenic Moieties: Synthesis and Complexes with Liquid Crystalline Polymer.","The Journal of organic chemistry","2014","79","14","6590","6602","10.1021/jo501072u","","x-ray","0.71073","MoKα","","0.0602","0.0499","","","0.1503","0.1604","","","","","","0.908","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029669","13.782","0.003","19.442","0.004","21.953","0.004","88.24","0.03","76.49","0.03","86.79","0.03","5710","2","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C67 H61.26 N0 O6 -","- C67 H61.35 O6 -","- C268 H245.4 O24 -","4","2","","Tominaga, Masahide; Ohara, Kazuaki; Yamaguchi, Kentaro; Azumaya, Isao","Hollow sphere formation from a three-dimensional structure composed of an adamantane-based cage.","The Journal of organic chemistry","2014","79","14","6738","6742","10.1021/jo500989c","","","0.8","Synchrotron","","0.1404","0.0914","","","0.2486","0.2955","","","","","","1.023","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029670","6.801","0.0002","16.1651","0.0005","22.3501","0.0008","90","","90","","90","","2457.14","0.14","123","2","123","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C30 H22 Br2 O4 -","- C30 H22 Br2 O4 -","- C120 H88 Br8 O16 -","4","1","","Meyer-Eppler, Georg; Sure, Rebecca; Schneider, Andreas; Schnakenburg, Gregor; Grimme, Stefan; Lützen, Arne","Synthesis, chiral resolution, and absolute configuration of dissymmetric 4,15-difunctionalized [2.2]paracyclophanes.","The Journal of organic chemistry","2014","79","14","6679","6687","10.1021/jo501212t","","","0.71073","MoKα","","0.0515","0.0389","","","0.0826","0.0867","","","","","","0.996","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029671","11.6253","0.0002","11.6253","0.0002","9.0313","0.0002","90","","90","","120","","1057.03","0.03","123","2","123","2","","","","","","","","3","P 32","P 32","145","","","","- C16 H14 I2 -","- C16 H14 I2 -","- C48 H42 I6 -","3","1","","Meyer-Eppler, Georg; Sure, Rebecca; Schneider, Andreas; Schnakenburg, Gregor; Grimme, Stefan; Lützen, Arne","Synthesis, chiral resolution, and absolute configuration of dissymmetric 4,15-difunctionalized [2.2]paracyclophanes.","The Journal of organic chemistry","2014","79","14","6679","6687","10.1021/jo501212t","","","0.71073","MoKα","","0.0244","0.0238","","","0.0588","0.059","","","","","","1.088","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029672","33.742","0.002","7.9547","0.0003","9.8768","0.0007","90","","97.566","0.002","90","","2627.9","0.3","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H26 Br2 N4 -","- C30 H26 Br2 N4 -","- C120 H104 Br8 N16 -","4","1","","Meyer-Eppler, Georg; Sure, Rebecca; Schneider, Andreas; Schnakenburg, Gregor; Grimme, Stefan; Lützen, Arne","Synthesis, chiral resolution, and absolute configuration of dissymmetric 4,15-difunctionalized [2.2]paracyclophanes.","The Journal of organic chemistry","2014","79","14","6679","6687","10.1021/jo501212t","","","0.71073","MoKα","","0.0572","0.0382","","","0.0789","0.0842","","","","","","0.937","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029673","17.9928","0.0015","7.7886","0.0007","20.839","0.0019","90","","90","","90","","2920.4","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O S -","- C18 H16 O S -","- C144 H128 O8 S8 -","8","1","","Roy, Rimi; Rakshit, Soumyadipta; Bhowmik, Tanmoy; Khan, Sagar; Ghatak, Avishek; Bhar, Sanjay","Substituted 3-E-Styryl-2H-chromenes and 3-E-Styryl-2H-thiochromenes: Synthesis, Photophysical Studies, Anticancer Activity, and Exploration to Tricyclic Benzopyran Skeleton.","The Journal of organic chemistry","2014","79","14","6603","6614","10.1021/jo5011125","","","0.71073","MoKα","","0.0915","0.0484","","","0.1071","0.1251","","","","","","1.016","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029674","8.8486","0.0002","21.2189","0.0006","19.1113","0.0006","90","","105.009","0.001","90","","3465.88","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H34 Au N3 O -","- C37 H44 Au N3 O -","- C148 H176 Au4 N12 O4 -","4","1","","Jeong, Yunkyung; Kim, Bom-I; Lee, Jae Kyun; Ryu, Jae-Sang","Direct Synthesis of 4-Fluoroisoxazoles through Gold-Catalyzed Cascade Cyclization-Fluorination of 2-Alkynone O-Methyl Oximes.","The Journal of organic chemistry","2014","79","14","6444","6455","10.1021/jo5008702","","","0.71075","MoKα","","0.0291","0.0201","","","0.046","0.0484","","","","","","1.029","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029675","6.226","0.0003","8.3026","0.0003","28.059","0.0012","90","","90","","90","","1450.43","0.11","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Lan, Ping; Jackson, Colin J.; Banwell, Martin G.; Willis, Anthony C.","Synthesis of a D-Ring Isomer of Galanthamine via a Radical-Based Smiles Rearrangement Reaction.","The Journal of organic chemistry","2014","79","14","6759","6764","10.1021/jo501255c","","","0.71073","MoKα","","0.0596","0.0373","","0.0816","0.0738","0.0816","","","","","","0.9506","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029676","10.9504","0.0002","9.5641","0.0002","21.54","0.0004","90","","97.2592","0.0009","90","","2237.82","0.07","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N4 O10 -","- C23 H26 N4 O10 -","- C92 H104 N16 O40 -","4","1","","Lan, Ping; Jackson, Colin J.; Banwell, Martin G.; Willis, Anthony C.","Synthesis of a D-Ring Isomer of Galanthamine via a Radical-Based Smiles Rearrangement Reaction.","The Journal of organic chemistry","2014","79","14","6759","6764","10.1021/jo501255c","","","0.71073","MoKα","","0.0742","0.046","","0.1196","0.1067","0.1196","","","","","","0.9585","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029677","12.0338","0.0002","7.972","0.0001","23.2133","0.0004","90","","97.5273","0.001","90","","2207.74","0.06","200","","200","","","","","","","","local","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Br O4 Si -","- C20 H29 Br O4 Si -","- C80 H116 Br4 O16 Si4 -","4","1","","Lan, Ping; Jackson, Colin J.; Banwell, Martin G.; Willis, Anthony C.","Synthesis of a D-Ring Isomer of Galanthamine via a Radical-Based Smiles Rearrangement Reaction.","The Journal of organic chemistry","2014","79","14","6759","6764","10.1021/jo501255c","","","0.71073","MoKα","","0.05","0.0344","","0.087","0.0792","0.087","","","","","","0.9825","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029678","7.4734","0.0012","7.51","0.0012","15.983","0.003","80.701","0.002","89.547","0.002","68.083","0.002","819.9","0.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C19 H14 F2 O5 -","- C19 H14 F2 O5 -","- C38 H28 F4 O10 -","2","1","","Belhomme, Marie-Charlotte; Poisson, Thomas; Pannecoucke, Xavier","Copper-Catalyzed Direct C-2 Difluoromethylation of Furans and Benzofurans: Access to C-2 CF2H Derivatives.","The Journal of organic chemistry","2014","79","15","7205","7211","10.1021/jo5010907","","x-ray","0.71073","MoKα","","0.0549","0.0443","","","0.1229","0.1384","","","","","","1.08","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029679","7.3748","0.0008","19.4128","0.0019","13.8717","0.0014","90","","105.111","0.013","90","","1917.3","0.4","294.35","0.1","294.35","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","1","","Zhou, Ping-Xin; Ye, Yu-Ying; Ma, Jun-Wei; Zheng, Lan; Tang, Qian; Qiu, Yi-Feng; Song, Bo; Qiu, Zi-Hang; Xu, Peng-Fei; Liang, Yong-Min","Palladium-Catalyzed/Norbornene-Mediated ortho-Amination/N-Tosylhydrazone Insertion Reaction: An Approach to the Synthesis of ortho-Aminated Vinylarenes.","The Journal of organic chemistry","2014","79","14","6627","6633","10.1021/jo501125b","","","0.71","MoKα","","0.0683","0.0488","","","0.1217","0.1373","","","","","","1.039","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029680","6.7432","0.0005","7.9837","0.0005","30.723","0.002","90","","90","","90","","1653.99","0.19","294.26","0.1","294.26","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Zhou, Ping-Xin; Ye, Yu-Ying; Ma, Jun-Wei; Zheng, Lan; Tang, Qian; Qiu, Yi-Feng; Song, Bo; Qiu, Zi-Hang; Xu, Peng-Fei; Liang, Yong-Min","Palladium-Catalyzed/Norbornene-Mediated ortho-Amination/N-Tosylhydrazone Insertion Reaction: An Approach to the Synthesis of ortho-Aminated Vinylarenes.","The Journal of organic chemistry","2014","79","14","6627","6633","10.1021/jo501125b","","","0.71073","MoKα","","0.1084","0.0631","","","0.131","0.1613","","","","","","1.051","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029682","10.4494","0.0013","6.9551","0.0009","16.365","0.002","90","","98.175","0.004","90","","1177.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 N4 O6 -","- C26 H24 N4 O6 -","- C52 H48 N8 O12 -","2","1","","Bhaumik, Atanu; Samanta, Supravat; Pathak, Tanmaya","Enantiopure 1,4,5-trisubstituted 1,2,3-triazoles from carbohydrates: applications of organoselenium chemistry.","The Journal of organic chemistry","2014","79","15","6895","6904","10.1021/jo5009564","","","0.71073","MoKα","","0.1448","0.0547","","","0.0909","0.1334","","","","","","1.092","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029683","5.9164","0.0009","7.5954","0.0011","20.95","0.003","90","","97.406","0.004","90","","933.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 O6 Se -","- C19 H22 O6 Se -","- C38 H44 O12 Se2 -","2","1","","Bhaumik, Atanu; Samanta, Supravat; Pathak, Tanmaya","Enantiopure 1,4,5-trisubstituted 1,2,3-triazoles from carbohydrates: applications of organoselenium chemistry.","The Journal of organic chemistry","2014","79","15","6895","6904","10.1021/jo5009564","","","0.71073","MoKα","","0.1468","0.0938","","","0.2444","0.2884","","","","","","0.965","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029684","20.83","0.008","5.635","0.002","12.122","0.007","90","","108.75","0.02","90","","1347.3","1.1","123.2","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H16 O -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Miyahara, Yuji; Ito, Yoshio N.","AlCl3-Mediated Aldol Cyclocondensation of 1,6- and 1,7-Diones to Cyclopentene and Cyclohexene Derivatives.","The Journal of organic chemistry","2014","79","15","6801","6807","10.1021/jo5006137","","","0.7107","MoKα","","","0.0353","","","","0.115","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029685","17.112","0.002","9.5392","0.0012","18.084","0.002","90","","108.026","0.001","90","","2807","0.6","296","2","163","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","2","","Miyahara, Yuji; Ito, Yoshio N.","AlCl3-Mediated Aldol Cyclocondensation of 1,6- and 1,7-Diones to Cyclopentene and Cyclohexene Derivatives.","The Journal of organic chemistry","2014","79","15","6801","6807","10.1021/jo5006137","","","0.71073","MoKα","","0.0451","0.0388","","","0.1095","0.1165","","","","","","0.896","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029686","8.958","0.0004","17.1507","0.0009","11.2099","0.0005","90","","107.618","0.001","90","","1641.46","0.14","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","AMHX-184","sarpong80","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Hamlin, Amy M.; Lapointe, David; Owens, Kyle; Sarpong, Richmond","Studies on c20-diterpenoid alkaloids: synthesis of the hetidine framework and its application to the synthesis of dihydronavirine and the atisine skeleton.","The Journal of organic chemistry","2014","79","15","6783","6800","10.1021/jo501214b","","","1.54178","CuKα","","0.0229","0.0228","","","0.0615","0.0616","","","","","","1.02","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4029687","10.9297","0.0003","7.3691","0.0002","11.4432","0.0004","90","","94.209","0.003","90","","919.17","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","AMHXI-049","sarpong83","","- C21 H31 N O4 -","- C21 H31 N O4 -","- C42 H62 N2 O8 -","2","1","","Hamlin, Amy M.; Lapointe, David; Owens, Kyle; Sarpong, Richmond","Studies on c20-diterpenoid alkaloids: synthesis of the hetidine framework and its application to the synthesis of dihydronavirine and the atisine skeleton.","The Journal of organic chemistry","2014","79","15","6783","6800","10.1021/jo501214b","","","1.54178","CuKα","","0.0549","0.041","","","0.0791","0.0848","","","","","","1.034","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4029808","7.9422","0.0005","19.0885","0.001","11.2298","0.0005","90","","92.573","0.005","90","","1700.77","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl N3 -","- C22 H14 Cl N3 -","- C88 H56 Cl4 N12 -","4","1","","Kumar, Atul; Kumar, Mukesh; Maurya, Shivam; Khanna, Ranjana S.","Regioselective Synthesis of Fused Imidazo[1,2-a]pyrimidines via Intramolecular C-N Bond Formation/6-Endo-Dig Cycloisomerization.","The Journal of organic chemistry","2014","79","15","6905","6912","10.1021/jo5007762","","","0.71073","MoKα","","0.092","0.0538","","","0.1104","0.1296","","","","","","1.033","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029809","14.761","0.003","31.143","0.006","7.2056","0.0014","90","","90","","90","","3312.4","1.1","295","2","295","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H16 N2 O5 -","- C19 H16 N2 O5 -","- C152 H128 N16 O40 -","8","1","","Wan, Jie-Ping; Lin, Yunfang; Huang, Qing; Liu, Yunyun","Diastereoselective Construction of Tetrahydropyridine Fused Bicyclic Structures via Three-Component Domino Reaction.","The Journal of organic chemistry","2014","79","15","7232","7238","10.1021/jo501292q","","","0.71073","MoKα","","0.1149","0.072","","","0.1977","0.249","","","","","","1.087","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029810","6.8792","0.0007","10.2161","0.0011","27.732","0.003","90","","90","","90","","1949","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br O2 -","- C24 H23 Br O2 -","- C96 H92 Br4 O8 -","4","1","","Zhang, Hao; Zhu, Le; Wang, Shaozhong; Yao, Zhu-Jun","Asymmetric Annulation of 3-Alkynylacrylaldehydes with Styrene-Type Olefins by Synergetic Relay Catalysis from AgOAc and Chiral Phosphoric Acid.","The Journal of organic chemistry","2014","79","15","7063","7074","10.1021/jo501196n","","","0.71073","MoKα","","0.0728","0.0557","","","0.1628","0.181","","","","","","1.19","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029811","10.7032","0.0012","14.9947","0.0017","25.551","0.003","90","","90","","90","","4100.7","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C192 H160 Br8 N8 O16 -","8","2","","Zhang, Hao; Zhu, Le; Wang, Shaozhong; Yao, Zhu-Jun","Asymmetric Annulation of 3-Alkynylacrylaldehydes with Styrene-Type Olefins by Synergetic Relay Catalysis from AgOAc and Chiral Phosphoric Acid.","The Journal of organic chemistry","2014","79","15","7063","7074","10.1021/jo501196n","","","0.71073","MoKα","","0.1277","0.0566","","","0.1075","0.1242","","","","","","1.087","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029812","13.72","0.003","7.2534","0.0018","14.954","0.004","90","","90.634","0.014","90","","1488.1","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H25 Cl N2 O3 -","- C34 H25 Cl N2 O3 -","- C68 H50 Cl2 N4 O6 -","2","1","","Zhang, Hong-Hao; Wang, Yue-Ming; Xie, Yuan-Wei; Zhu, Zi-Qi; Shi, Feng; Tu, Shu-Jiang","Organocatalytic Chemo-, (E/Z)- and Enantioselective Formal Alkenylation of Indole-Derived Hydroxylactams Using o-Hydroxystyrenes as a Source of Alkenyl Group.","The Journal of organic chemistry","2014","79","15","7141","7151","10.1021/jo501293m","","","0.71073","MoKα","","0.1803","0.0655","","","0.147","0.2103","","","","","","0.939","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029813","6.432","","16.9723","0.0001","17.2995","0.0001","90","","90","","90","","1888.51","0.016","150","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O3 -","- C20 H26 N2 O3 -","- C80 H104 N8 O12 -","4","1","","Fort, Diego A.; Woltering, Thomas J.; Alker, André M; Bach, Thorsten","An intramolecular [2 + 2] photocycloaddition approach to conformationally restricted bis-pyrrolidines.","The Journal of organic chemistry","2014","79","15","7152","7161","10.1021/jo501302f","","","1.54178","CuKα","","0.0246","0.0245","","","0.0642","0.0643","","","","","","1.059","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029814","6.419","0.0001","15.9155","0.0004","19.2921","0.0005","90","","90","","90","","1970.91","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N O4 S -","- C25 H21 N O4 S -","- C100 H84 N4 O16 S4 -","4","1","","Fort, Diego A.; Woltering, Thomas J.; Alker, André M; Bach, Thorsten","An intramolecular [2 + 2] photocycloaddition approach to conformationally restricted bis-pyrrolidines.","The Journal of organic chemistry","2014","79","15","7152","7161","10.1021/jo501302f","","","1.54178","CuKα","","0.0488","0.0475","","","0.1458","0.1475","","","","","","1.21","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029815","5.981","0.0012","11.955","0.002","13.864","0.003","111.01","0.03","95.75","0.03","92.04","0.03","918","0.4","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 F2 N2 O2 -","- C20 H26 F2 N2 O2 -","- C40 H52 F4 N4 O4 -","2","1","","Fort, Diego A.; Woltering, Thomas J.; Alker, André M; Bach, Thorsten","An intramolecular [2 + 2] photocycloaddition approach to conformationally restricted bis-pyrrolidines.","The Journal of organic chemistry","2014","79","15","7152","7161","10.1021/jo501302f","","","0.7","Synchrotron","","0.0345","0.0338","","","0.0866","0.0871","","","","","","1.039","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029823","6.142","0.004","10.755","0.007","26.16","0.017","90","","90","","90","","1728.1","1.9","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 -","- C21 H23 N3 -","- C84 H92 N12 -","4","1","","Herrera, Antonio; Riaño, Alberto; Moreno, Ramón; Caso, Bárbara; Pardo, Zulay D.; Fernández, Israel; Sáez, Elena; Molero, Dolores; Sánchez-Vázquez, Angel; Martínez-Alvarez, Roberto","One-Pot Synthesis of 1,3,5-Triazine Derivatives via Controlled Cross-Cyclotrimerization of Nitriles: A Mechanism Approach.","The Journal of organic chemistry","2014","79","15","7012","7024","10.1021/jo501144v","","","0.71073","MoKα","","0.1642","0.0812","","","0.1607","0.1886","","","","","","0.91","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029824","7.6193","0.0004","10.9706","0.0007","11.8576","0.0009","90","","90","","90","","991.16","0.11","90","0.1","90","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Castillo-Contreras, Emmanuel B; Stahl, Alexander M.; Dake, Gregory R.","Annulated Isoxazoles via [3 + 2] Cycloaddition of Alkenyl Bromides and Oximoyl Chlorides and Ag(I) Promoted Elimination.","The Journal of organic chemistry","2014","79","15","7250","7255","10.1021/jo501376q","","","1.54178","CuKα","","0.0482","0.0463","","","0.1163","0.1191","","","","","","1.074","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029825","7.7657","0.0005","11.9845","0.0008","13.1137","0.0009","90","","94.745","0.003","90","","1216.28","0.14","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Castillo-Contreras, Emmanuel B; Stahl, Alexander M.; Dake, Gregory R.","Annulated Isoxazoles via [3 + 2] Cycloaddition of Alkenyl Bromides and Oximoyl Chlorides and Ag(I) Promoted Elimination.","The Journal of organic chemistry","2014","79","15","7250","7255","10.1021/jo501376q","","","0.71073","MoKα","","0.0465","0.0387","","","0.1025","0.1081","","","","","","1.027","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029826","16.112","0.016","6.706","0.007","18.764","0.019","90","","100.854","0.011","90","","1991","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C108 H84 N4 O8 -","4","1","","Mondal, Sayantan; Gold, Brian; Mohamed, Rana K.; Phan, Hoa; Alabugin, Igor V.","Rerouting Radical Cascades: Intercepting the Homoallyl Ring Expansion in Enyne Cyclizations via C-S Scission.","The Journal of organic chemistry","2014","79","16","7491","7501","10.1021/jo5012043","","","0.71073","MoKα","","0.0634","0.0519","","","0.1224","0.1294","","","","","","1.056","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029827","12.6288","0.0006","9.4968","0.0005","13.1535","0.0007","90","","118.149","0.002","90","","1390.96","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H32 F3 N3 O5 -","- C28 H32 F3 N3 O5 -","- C56 H64 F6 N6 O10 -","2","1","","Liu, Jian; Wang, Zheng; Levin, Aaron; Emge, Thomas J.; Rablen, Paul R.; Floyd, David M.; Knapp, Spencer","N-methylimidazole promotes the reaction of homophthalic anhydride with imines.","The Journal of organic chemistry","2014","79","16","7593","7599","10.1021/jo501316m","","","1.54178","CuKα","","0.0361","0.0343","","","0.0763","0.0773","","","","","","1.005","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029828","10.2269","0.0006","15.884","0.0009","12.1416","0.0007","90","","98.281","0.001","90","","1951.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H19 N O4.5 -","- C24.5 H19 N O4.5 -","- C98 H76 N4 O18 -","4","1","","Liu, Jian; Wang, Zheng; Levin, Aaron; Emge, Thomas J.; Rablen, Paul R.; Floyd, David M.; Knapp, Spencer","N-methylimidazole promotes the reaction of homophthalic anhydride with imines.","The Journal of organic chemistry","2014","79","16","7593","7599","10.1021/jo501316m","","","0.71073","MoKα","","0.104","0.0725","","","0.1644","0.1824","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029829","7.446","0.003","7.6","0.003","29.561","0.011","90","","97.206","0.01","90","","1659.6","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Br N O3 -","- C20 H14 Br N O3 -","- C80 H56 Br4 N4 O12 -","4","1","","Gopi, Elumalai; Namboothiri, Irishi N. N.","One-Pot Regioselective Synthesis of meta-Terphenyls via [3 + 3] Annulation of Nitroallylic Acetates with Alkylidenemalononitriles.","The Journal of organic chemistry","2014","79","16","7468","7476","10.1021/jo501193h","","","0.71073","MoKα","","0.0513","0.0403","","","0.0876","0.092","","","","","","0.987","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029830","5.2508","0.0005","14.2668","0.0012","19.7267","0.0013","90","","90","","90","","1477.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl2 O3 -","- C13 H15 Cl2 O4 -","- C52 H60 Cl8 O16 -","4","1","","Ding, Haixin; Li, Wei; Ruan, Zhizhong; Yang, Ruchun; Mao, Zhijie; Xiao, Qiang; Wu, Jun","Concise total synthesis of two marine natural nucleosides: trachycladines A and B.","Beilstein journal of organic chemistry","2014","10","","1681","1685","10.3762/bjoc.10.176","","","0.71073","MoKα","","0.0756","0.0548","","","0.1668","0.1984","","","","","","0.791","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029831","11.8137","0.0017","7.047","0.001","24.199","0.004","90","","101.033","0.002","90","","1977.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N5 O6 S -","- C18 H21 N5 O6 S -","- C72 H84 N20 O24 S4 -","4","1","","Johnson, Kevin M.; Parsons, Zachary D.; Barnes, Charles L.; Gates, Kent S.","Toward Hypoxia-Selective DNA-Alkylating Agents Built by Grafting Nitrogen Mustards onto the Bioreductively Activated, Hypoxia-Selective DNA-Oxidizing Agent 3-Amino-1,2,4-benzotriazine 1,4-Dioxide (Tirapazamine).","The Journal of organic chemistry","2014","79","16","7520","7531","10.1021/jo501252p","","","0.71073","MoKα","","0.0413","0.0347","","","0.0924","0.0972","","","","","","1.047","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029832","10.7599","0.001","12.9257","0.0012","14.6771","0.0019","101.059","0.009","109.431","0.009","96.31","0.007","1855.7","0.4","180.15","","180.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H38 Br I S2 Si2 -","- C35 H38 Br I S2 Si2 -","- C70 H76 Br2 I2 S4 Si4 -","2","1","","Valášek, Michal; Edelmann, Kevin; Gerhard, Lukas; Fuhr, Olaf; Lukas, Maya; Mayor, Marcel","Synthesis of molecular tripods based on a rigid 9,9'-spirobifluorene scaffold.","The Journal of organic chemistry","2014","79","16","7342","7357","10.1021/jo501029t","","x-ray","0.71073","MoKα","","0.0346","0.0299","","","0.0713","0.0734","","","","","","1.049","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029833","17.049","0.002","6.88","0.001","34.497","0.003","90","","93.65","0.05","90","","4038.2","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","C5'-C6'[S]epoxide of O2',O3' di-terbutyldimethylsilyl uridine","","- C22 H40 N2 O6 Si2 -","- C22 H40 N2 O6 Si2 -","- C132 H240 N12 O36 Si12 -","6","3","","Fer, Mickaël J; Doan, Pierre; Prangé, Thierry; Calvet-Vitale, Sandrine; Gravier-Pelletier, Christine","A diastereoselective synthesis of 5'-substituted-uridine derivatives.","The Journal of organic chemistry","2014","79","16","7758","7765","10.1021/jo501410m","","","0.964","synchrotron","","0.0946","0.0945","","","0.2385","0.2389","","","","","","2.598","","","","has coordinates,has disorder","204142","2020-10-21","18:00:00",""
"4029834","10.0649","0.0007","17.5489","0.0012","10.2527","0.0007","90","","97.268","0.001","90","","1796.4","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H21 F3 N2 O S -","- C16 H21 F3 N2 O S -","- C64 H84 F12 N8 O4 S4 -","4","2","","Wu, Lingmin; Xie, Chen; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Asymmetric Friedel-Crafts Reactions of N-tert-Butylsulfinyl-3,3,3-trifluoroacetaldimines: General Access to Enantiomerically Pure Indoles Containing a 1-Amino-2,2,2-trifluoroethyl Group.","The Journal of organic chemistry","2014","79","16","7677","7681","10.1021/jo5012009","","","0.71073","MoKα","","0.0451","0.0364","","","0.0885","0.0939","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029835","12.2469","0.0006","9.3854","0.0005","14.4662","0.0007","90","","103.089","0.002","90","","1619.57","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H30 N6 O6 S2 -","- C26 H30 N6 O6.01 S2 -","- C52 H60 N12 O12.02 S4 -","2","1","","Chen, Diao; Xu, Ming-Hua","Lewis Acid Promoted Diastereoselective Addition of TMSCN and TMSCF3 to Isatin-Derived N-Sulfinyl Ketimines: Synthesis of Optically Active Tetrasubstituted 3-Aminooxindoles.","The Journal of organic chemistry","2014","79","16","7746","7751","10.1021/jo501360g","","","0.71073","MoKα","","0.0824","0.0761","","","0.2118","0.2232","","","","","","0.885","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029836","11.7533","0.0002","9.4038","0.0002","14.313","0.0003","90","","96.434","0.001","90","","1571.99","0.05","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H14 Cl F3 N2 O2 S -","- C13 H14 Cl F3 N2 O2 S -","- C52 H56 Cl4 F12 N8 O8 S4 -","4","2","","Chen, Diao; Xu, Ming-Hua","Lewis Acid Promoted Diastereoselective Addition of TMSCN and TMSCF3 to Isatin-Derived N-Sulfinyl Ketimines: Synthesis of Optically Active Tetrasubstituted 3-Aminooxindoles.","The Journal of organic chemistry","2014","79","16","7746","7751","10.1021/jo501360g","","","0.71073","MoKα","","0.0381","0.0325","","","0.0673","0.0695","","","","","","1.062","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029837","22.249","0.003","9.242","0.0014","9.1181","0.0012","90","","90","","90","","1874.9","0.5","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C25 H17 N3 -","- C25 H17 N3 -","- C100 H68 N12 -","4","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.0653","0.0471","","","0.0988","0.1078","","","","","","1.031","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029838","9.5546","0.0012","10.2791","0.0013","12.0432","0.0015","98.98","0.002","98.018","0.002","92.406","0.002","1154.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C52 H44 N8 O4 -","2","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.0904","0.0497","","","0.1187","0.1327","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029839","10.638","0.014","11.784","0.014","13.566","0.015","67.11","0.03","84.68","0.03","63.93","0.03","1401","3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 N2 -","- C22 H22 N2 -","- C66 H66 N6 -","3","1.5","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.2096","0.062","","","0.0799","0.0935","","","","","","1","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029840","9.0828","0.0013","8.2753","0.0012","28.513","0.004","90","","97.494","0.003","90","","2124.8","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N3 -","- C27 H21 N3 -","- C108 H84 N12 -","4","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.1024","0.0537","","","0.1343","0.1583","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029841","22.6533","0.0016","22.6533","0.0016","7.243","0.0014","90","","90","","90","","3716.9","0.8","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C19 H13 N5 O2 -","- C19 H13 N5 O2 -","- C152 H104 N40 O16 -","8","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.1175","0.0645","","","0.1608","0.1793","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029842","7.943","0.002","10.527","0.003","11.702","0.004","84.179","0.004","86.21","0.004","79.569","0.004","956.2","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N4 -","- C23 H18 N4 -","- C46 H36 N8 -","2","1","","Tang, Jian; Yue, Jia-Jun; Tao, Fei-Fei; Grampp, Guenter; Wang, Bing-Xiang; Li, Fang; Liang, Xue-Zheng; Shen, Yong-Miao; Xu, Jian-Hua","A three-component reaction by photoinduced electron transfer mechanism with N-protected pyrroles as neutral carbon nucleophiles.","The Journal of organic chemistry","2014","79","16","7572","7582","10.1021/jo5013114","","","0.71073","MoKα","","0.1043","0.0522","","","0.117","0.1373","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029843","8.24","0.003","9.613","0.003","22.45","0.007","90","","90","","90","","1778.3","1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O4 S -","- C20 H19 N O4 S -","- C80 H76 N4 O16 S4 -","4","1","","Kamimura, Akio; Yamane, Yu; Yo, Ryuichiro; Tanaka, Toshiyuki; Uno, Hidemitsu","Gold(I)-Catalyzed Synthesis of Optically Active 1,4-Oxazepan-7-ones.","The Journal of organic chemistry","2014","79","16","7696","7702","10.1021/jo501254x","","","0.71075","MoKα","","","0.0273","","","","0.0682","","","","","","1.091","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029844","8.2597","0.0009","9.772","0.001","11.0233","0.0009","95.851","0.007","99.783","0.008","100.761","0.009","853.13","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","cyclo-bis(ethinyldiphenylurea) - bis(dimethylformamide)","","- C40 H34 N6 O4 -","- C40 H34 N6 O4 -","- C40 H34 N6 O4 -","1","0.5","","Kretschmer, Claudia; Dittmann, Gertrud; Beck, Johannes","Macrocyclic bis(ureas) as ligands for anion complexation.","Beilstein journal of organic chemistry","2014","10","","1834","1839","10.3762/bjoc.10.193","","","0.71073","MoKα","","0.0727","0.0364","","","0.0903","0.1048","","","","","","0.991","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029845","8.2244","0.0013","17.995","0.002","12.1198","0.0017","90","","113.483","0.01","90","","1645.1","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cyclo-bis(ethinyldiphenylurea) - bis(dimethylsulfoxide)","","- C38 H32 N4 O4 S2 -","- C38 H32 N4 O4 S2 -","- C76 H64 N8 O8 S4 -","2","0.5","","Kretschmer, Claudia; Dittmann, Gertrud; Beck, Johannes","Macrocyclic bis(ureas) as ligands for anion complexation.","Beilstein journal of organic chemistry","2014","10","","1834","1839","10.3762/bjoc.10.193","","","0.71073","MoKα","","0.1531","0.0522","","","0.0803","0.1038","","","","","","0.738","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029846","12.7152","0.0006","17.5556","0.0008","20.5472","0.0008","90","","125.548","0.003","90","","3731.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium-cyclo-bis(butadiynyldiphenylurea)-bromide complex","","- C42 H40 Br N5 O2 -","- C42 H40 Br N5 O2 -","- C168 H160 Br4 N20 O8 -","4","1","","Kretschmer, Claudia; Dittmann, Gertrud; Beck, Johannes","Macrocyclic bis(ureas) as ligands for anion complexation.","Beilstein journal of organic chemistry","2014","10","","1834","1839","10.3762/bjoc.10.193","","","0.71073","MoKα","","0.1654","0.0617","","","0.123","0.1628","","","","","","1.005","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029847","11.8302","0.0016","7.098","0.0015","13.47","0.0013","90","","102.437","0.008","90","","1104.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dihydroindoloquinolinone","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C60 H40 N8 O4 -","4","1","","Kretschmer, Claudia; Dittmann, Gertrud; Beck, Johannes","Macrocyclic bis(ureas) as ligands for anion complexation.","Beilstein journal of organic chemistry","2014","10","","1834","1839","10.3762/bjoc.10.193","","","0.71073","MoKα","","0.0988","0.0421","","","0.0978","0.116","","","","","","0.985","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029848","7.7122","0.0004","22.1072","0.0011","11.0668","0.0006","90","","90.56","0.002","90","","1886.75","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H17 O1.5 Si -","- C6 H17 O1.5 Si -","- C48 H136 O12 Si8 -","8","2","","Patschinski, Pascal; Zhang, Cong; Zipse, Hendrik","The lewis base-catalyzed silylation of alcohols-a mechanistic analysis.","The Journal of organic chemistry","2014","79","17","8348","8357","10.1021/jo5016568","","","0.71073","MoKα","","0.0498","0.0439","","","0.1108","0.1146","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029849","14.8863","0.0002","25.4284","0.0004","6.6202","0.0001","90","","90","","90","","2505.98","0.06","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H44 O3 Si -","- C24 H44 O3 Si -","- C96 H176 O12 Si4 -","4","1","","Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre","Anionic polycyclization entry to tricycles related to quassinoids and terpenoids: a stereocontrolled total synthesis of (+)-cassaine.","The Journal of organic chemistry","2014","79","17","7979","7999","10.1021/jo501122k","","","0.71073","MoKα","","0.048","0.0444","","","0.1221","0.1261","","","","","","1.066","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029850","10.1431","0.001","10.1431","0.001","17.8259","0.0019","90","","90","","120","","1588.3","0.3","173","1","173","1","","","","","","","","3","P 32","P 32","145","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C75 H96 O12 -","3","1","","Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre","Anionic polycyclization entry to tricycles related to quassinoids and terpenoids: a stereocontrolled total synthesis of (+)-cassaine.","The Journal of organic chemistry","2014","79","17","7979","7999","10.1021/jo501122k","","x-ray","0.71073","MoKα","","0.032","0.0289","","","0.0738","0.0779","","","","","","1.048","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029851","15.457","0.003","9.311","0.002","15.892","0.003","90","","110.108","0.013","90","","2147.8","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C100 H116 N4 O12 -","4","1","","Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre","Anionic polycyclization entry to tricycles related to quassinoids and terpenoids: a stereocontrolled total synthesis of (+)-cassaine.","The Journal of organic chemistry","2014","79","17","7979","7999","10.1021/jo501122k","","","1.54176","CuKα","","0.0954","0.0756","","","0.1855","0.2075","","","","","","1.004","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029852","13.6957","0.0017","7.3312","0.0009","16.043","0.002","90","","94.634","0.002","90","","1605.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N6 O4 -","- C18 H14 N6 O4 -","- C72 H56 N24 O16 -","4","1","","Breton, Gary W.; Hughes, Joshua S.; Pitchko, Timothy J.; Martin, Kenneth L.; Hardcastle, Kenneth","Unexpected σ Bond Rupture during the Reaction of N-Methyl-1,2,4-triazoline-3,5-dione with Acenaphthylene and Indene.","The Journal of organic chemistry","2014","79","17","8212","8220","10.1021/jo5014096","","","0.71073","MoKα","","0.0858","0.0494","","","0.116","0.1335","","","","","","1.054","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029853","12.395","0.0005","12.8325","0.0005","7.9578","0.0003","90","","101.99","0.004","90","","1238.14","0.09","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Compound 16","","","- C15 H11 N3 O3 -","- C15 H11 N3 O3 -","- C60 H44 N12 O12 -","4","0.5","","Breton, Gary W.; Hughes, Joshua S.; Pitchko, Timothy J.; Martin, Kenneth L.; Hardcastle, Kenneth","Unexpected σ Bond Rupture during the Reaction of N-Methyl-1,2,4-triazoline-3,5-dione with Acenaphthylene and Indene.","The Journal of organic chemistry","2014","79","17","8212","8220","10.1021/jo5014096","","","1.54178","CuKα","","0.0492","0.0416","","","0.1006","0.1033","","","","","","1.041","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029854","8.9582","0.0004","9.2839","0.0003","14.5505","0.0006","90","","92.973","0.003","90","","1208.49","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound 7","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Breton, Gary W.; Hughes, Joshua S.; Pitchko, Timothy J.; Martin, Kenneth L.; Hardcastle, Kenneth","Unexpected σ Bond Rupture during the Reaction of N-Methyl-1,2,4-triazoline-3,5-dione with Acenaphthylene and Indene.","The Journal of organic chemistry","2014","79","17","8212","8220","10.1021/jo5014096","","","1.54178","CuKα","","0.0399","0.0353","","","0.0923","0.096","","","","","","1.029","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029855","10.052","0.004","14.694","0.006","12.103","0.005","90","","95.947","0.006","90","","1778","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C92 H68 N4 O8 -","4","1","","Wang, Xianbo; Yu, Xingxin","Silver(I) and copper(i) cocatalyzed tandem reaction of 2-alkynylbenzaldoximes with aldehydes or alcohols: approach to 4-carboxylated isoquinolines.","The Journal of organic chemistry","2014","79","17","7854","7860","10.1021/jo500864b","","","0.71073","MoKα","","0.0985","0.0611","","","0.1495","0.1725","","","","","","0.923","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029856","42.4851","0.0007","7.7388","0.0001","14.2913","0.0002","90","","103.844","0.002","90","","4562.25","0.12","290","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H27 N3 O3 -","- C26 H27 N3 O3 -","- C208 H216 N24 O24 -","8","2","","Peng, Jixing; Gao, Huquan; Li, Jing; Ai, Jing; Geng, Meiyu; Zhang, Guojian; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Prenylated Indole Diketopiperazines from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2014","79","17","7895","7904","10.1021/jo5010179","","","1.54184","CuKα","","0.0399","0.0361","","","0.0918","0.0957","","","","","","1.025","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029857","28.51","0.06","12.34","0.02","17.98","0.04","90","","121.13","0.02","90","","5415","19","270","2","270","2","","","","","","","","3","C 1 c 1","C -2yc","9","C16MolGyro","","","- C54 H100 Si2 -","- C54 H100 Si2 -","- C216 H400 Si8 -","4","1","","Setaka, Wataru; Inoue, Kazuyuki; Higa, Sayaka; Yoshigai, Seiki; Kono, Hirohiko; Yamaguchi, Kentaro","Synthesis of Crystalline Molecular Gyrotops and Phenylene Rotation inside the Cage.","The Journal of organic chemistry","2014","79","17","8288","8295","10.1021/jo501539h","","","0.71073","MoKα","","0.3938","0.1216","","","0.3025","0.4879","","","","","","0.928","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029858","11.8372","0.0005","8.0993","0.0004","33.8951","0.0015","90","","92.243","0.001","90","","3247.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N S -","- C23 H15 N S -","- C184 H120 N8 S8 -","8","2","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0531","0.0435","","","0.1068","0.1141","","","","","","1.037","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029859","13.7704","0.0007","12.1242","0.0006","23.1112","0.0012","90","","104.926","0.001","90","","3728.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H22 B F15 N S -","- C44 H22 B F15 N S -","- C176 H88 B4 F60 N4 S4 -","4","1","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0567","0.0443","","","0.1039","0.1111","","","","","","1.023","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029860","10.024","0.002","11.023","0.003","17.842","0.004","90.44","0.005","106.169","0.004","106.009","0.005","1812.4","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","C42 H17 B F15 N O S, 0.5(C Cl2)","","- C42.5 H17 B Cl F15 N O S -","- C42.5 H17 B Cl F15 N O S -","- C85 H34 B2 Cl2 F30 N2 O2 S2 -","2","1","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0523","0.0423","","","0.108","0.1148","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029861","16.8297","0.0008","15.8736","0.0008","15.8336","0.0008","90","","116.245","0.001","90","","3793.9","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 Cl N O S -","- C23 H17 Cl N O S -","- C184 H136 Cl8 N8 O8 S8 -","8","1","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0464","0.041","","","0.1055","0.1098","","","","","","1.022","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029862","12.2538","0.0005","8.5039","0.0003","32.5823","0.0014","90","","93.139","0.001","90","","3390.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O S -","- C23 H15 N O S -","- C184 H120 N8 O8 S8 -","8","2","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0575","0.0486","","","0.1197","0.1257","","","","","","1.048","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029863","22.3346","0.0009","19.506","0.0007","15.8717","0.0006","90","","98.327","0.001","90","","6841.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H15 B F15 N O S -","- C41 H15 B F15 N O S -","- C328 H120 B8 F120 N8 O8 S8 -","8","2","","Ishii, Akihiko; Aoki, Yutaro; Nakata, Norio","Synthesis of 4-Chalcogeno-1-aza-1,3-butadiene Derivatives by Intramolecular Cyano-Diels-Alder Reaction and Borane-Coordination-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2014","79","17","7951","7960","10.1021/jo501103e","","","0.71073","MoKα","","0.0833","0.0531","","","0.1183","0.1359","","","","","","0.994","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029864","9.5219","0.0005","9.7304","0.0008","11.5747","0.0009","105.945","0.007","109.988","0.006","99.912","0.006","926.09","0.14","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C48 H38 N2 O4 -","2","1","","Mai, Wen-Peng; Sun, Gang-Chun; Wang, Ji-Tao; Song, Ge; Mao, Pu; Yang, Liang-Ru; Yuan, Jin-Wei; Xiao, Yong-Mei; Qu, Ling-Bo","Silver-Catalyzed Radical Tandem Cyclization: An Approach to Direct Synthesis of 3-Acyl-4-arylquinolin-2(1H)-ones.","The Journal of organic chemistry","2014","79","17","8094","8102","10.1021/jo501301t","","","1.5418","CuKα","","0.0463","0.0385","","","0.1066","0.1142","","","","","","1.052","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029865","10.3678","0.0004","9.9254","0.0003","18.351","0.0006","90","","104.086","0.004","90","","1831.62","0.11","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Br N O2 -","- C23 H16 Br N O2 -","- C92 H64 Br4 N4 O8 -","4","1","","Mai, Wen-Peng; Sun, Gang-Chun; Wang, Ji-Tao; Song, Ge; Mao, Pu; Yang, Liang-Ru; Yuan, Jin-Wei; Xiao, Yong-Mei; Qu, Ling-Bo","Silver-Catalyzed Radical Tandem Cyclization: An Approach to Direct Synthesis of 3-Acyl-4-arylquinolin-2(1H)-ones.","The Journal of organic chemistry","2014","79","17","8094","8102","10.1021/jo501301t","","","1.5418","CuKα","","0.0447","0.0362","","","0.0872","0.0938","","","","","","1.029","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029866","8.5954","0.0006","21.9171","0.0016","10.9128","0.0008","90","","105.471","0.002","90","","1981.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C96 H80 Br4 N4 O12 -","4","1","","Jiang, Liqin; Xu, Renqi; Kang, Zhenghui; Feng, Yixiao; Sun, Fengxia; Hu, Wenhao","Rh(II)/Brønsted Acid Cocatalyzed Intramolecular Trapping of Ammonium Ylides with Enones: Diastereoselective Synthesis of 2,2,3-Trisubstituted Indolines.","The Journal of organic chemistry","2014","79","17","8440","8446","10.1021/jo501282h","","","0.71073","MoKα","","0.0418","0.0314","","","0.0724","0.0774","","","","","","1.029","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029867","13.849","0.002","11.2933","0.0015","14.1543","0.0018","90","","100.572","0.015","90","","2176.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Br N2 O3 -","- C24 H21 Br N2 O3 -","- C96 H84 Br4 N8 O12 -","4","1","","Vijay Kumar, S.; Saraiah, B.; Parameshwarappa, G.; Ila, H.; Verma, Girijesh K.","Synthesis of N-Functionalized/NH-Multisubstituted Indoles, Thienopyrroles, Pyrroloindoles, and Pyrazolopyrroles via Sequential One-Pot Base-Mediated and Copper-Catalyzed Inter- and Intramolecular Amination of 2-[2-Bromo(het)aryl]-3-(het)aryl-3-(methylthio)acrylonitriles.","The Journal of organic chemistry","2014","79","17","7961","7978","10.1021/jo501114a","","","0.71073","MoKα","","0.2027","0.0747","","","0.1354","0.1978","","","","","","0.963","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029868","13.1439","0.0012","9.9913","0.0005","14.1098","0.0009","90","","91.472","0.007","90","","1852.4","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C92 H68 N12 O8 -","4","1","","Vijay Kumar, S.; Saraiah, B.; Parameshwarappa, G.; Ila, H.; Verma, Girijesh K.","Synthesis of N-Functionalized/NH-Multisubstituted Indoles, Thienopyrroles, Pyrroloindoles, and Pyrazolopyrroles via Sequential One-Pot Base-Mediated and Copper-Catalyzed Inter- and Intramolecular Amination of 2-[2-Bromo(het)aryl]-3-(het)aryl-3-(methylthio)acrylonitriles.","The Journal of organic chemistry","2014","79","17","7961","7978","10.1021/jo501114a","","","0.71073","MoKα","","0.1046","0.0621","","","0.1463","0.1758","","","","","","1.054","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029869","10.1675","0.0003","12.4426","0.0003","12.6642","0.0003","90","","100.875","0.002","90","","1573.38","0.07","105","0.1","105","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H10 Cl F N2 O -","- C19 H10 Cl F N2 O -","- C76 H40 Cl4 F4 N8 O4 -","4","1","","Vijay Kumar, S.; Saraiah, B.; Parameshwarappa, G.; Ila, H.; Verma, Girijesh K.","Synthesis of N-Functionalized/NH-Multisubstituted Indoles, Thienopyrroles, Pyrroloindoles, and Pyrazolopyrroles via Sequential One-Pot Base-Mediated and Copper-Catalyzed Inter- and Intramolecular Amination of 2-[2-Bromo(het)aryl]-3-(het)aryl-3-(methylthio)acrylonitriles.","The Journal of organic chemistry","2014","79","17","7961","7978","10.1021/jo501114a","","x-ray","0.71073","MoKα","","0.045","0.039","","","0.09","0.0954","","","","","","1.054","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029870","10.5931","0.0005","12.4309","0.0006","10.6076","0.0005","90","","105.109","0.002","90","","1348.54","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","1","","Cao, Ming-Ming; Zhang, Yu; Li, Xiao-Hui; Peng, Zong-Gen; Jiang, Jian-Dong; Gu, Yu-Cheng; Di, Ying-Tong; Li, Xiao-Nian; Chen, Duo-Zhi; Xia, Cheng-Feng; He, Hong-Ping; Li, Shun-Lin; Hao, Xiao-Jiang","Cyclohexane-Fused Octahydroquinolizine Alkaloids from Myrioneuron faberi with Activity against Hepatitis C Virus.","The Journal of organic chemistry","2014","79","17","7945","7950","10.1021/jo501076x","","","1.54178","CuKα","","0.0579","0.0568","","","0.1525","0.1535","","","","","","1.091","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029871","8.6049","0.0016","9.2797","0.0017","11.975","0.002","86.715","0.003","76.606","0.002","87.794","0.003","928.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H36 N2 O2 -","- C20 H36 N2 O2 -","- C40 H72 N4 O4 -","2","1","","Cao, Ming-Ming; Zhang, Yu; Li, Xiao-Hui; Peng, Zong-Gen; Jiang, Jian-Dong; Gu, Yu-Cheng; Di, Ying-Tong; Li, Xiao-Nian; Chen, Duo-Zhi; Xia, Cheng-Feng; He, Hong-Ping; Li, Shun-Lin; Hao, Xiao-Jiang","Cyclohexane-Fused Octahydroquinolizine Alkaloids from Myrioneuron faberi with Activity against Hepatitis C Virus.","The Journal of organic chemistry","2014","79","17","7945","7950","10.1021/jo501076x","","","0.71073","MoKα","","0.0637","0.0476","","","0.122","0.1338","","","","","","1.071","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029872","8.5758","0.0008","24.74","0.002","16.4424","0.0016","90","","90.94","0.001","90","","3488","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Si2 -","- C16 H24 Si2 -","- C128 H192 Si16 -","8","2","","Kinoshita, Hidenori; Hirai, Nobuyoshi; Miura, Katsukiyo","Diisobutylaluminum Hydride Promoted Cyclization of o-(Trimethylsilylethynyl)styrenes to Indenes.","The Journal of organic chemistry","2014","79","17","8171","8181","10.1021/jo501383v","","","0.71073","MoKα","","0.0692","0.0572","","","0.1536","0.1634","","","","","","0.924","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029873","10.3693","0.0011","10.5849","0.0012","13.5584","0.0015","87.922","0.002","89.05","0.002","62.078","0.001","1314","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O5 -","- C29 H22 N2 O5 -","- C58 H44 N4 O10 -","2","1","","Hu, Jun-Die; Cao, Cheng-Pao; Lin, Wei; Hu, Ming-Hua; Huang, Zhi-Bin; Shi, Da-Qing","Selective Synthesis of Polyfunctionalized Pyrido[2,3-b]indoles by Multicomponent Domino Reactions.","The Journal of organic chemistry","2014","79","17","7935","7944","10.1021/jo501049m","","","0.71073","MoKα","","0.3902","0.1194","","","0.1797","0.225","","","","","","1.025","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029874","10.2812","0.0009","10.2989","0.0008","13.2551","0.0011","89.772","0.002","87.99","0.002","62.141","0.001","1239.96","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 N2 O5 -","- C30 H24 N2 O5 -","- C60 H48 N4 O10 -","2","1","","Hu, Jun-Die; Cao, Cheng-Pao; Lin, Wei; Hu, Ming-Hua; Huang, Zhi-Bin; Shi, Da-Qing","Selective Synthesis of Polyfunctionalized Pyrido[2,3-b]indoles by Multicomponent Domino Reactions.","The Journal of organic chemistry","2014","79","17","7935","7944","10.1021/jo501049m","","","0.71073","MoKα","","0.1698","0.0737","","","0.1672","0.2352","","","","","","1.042","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029875","12.819","0.0006","10.5217","0.0005","18.1283","0.0008","90","","106.949","0.0012","90","","2338.9","0.19","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Cl N2 O2 -","- C27 H25 Cl N2 O2 -","- C108 H100 Cl4 N8 O8 -","4","1","","Ghabraie, Elmira; Balalaie, Saeed; Mehrparvar, Saber; Rominger, Frank","Synthesis of Functionalized β-Lactams and Pyrrolidine-2,5-diones through a Metal-Free Sequential Ugi-4CR/Cyclization Reaction.","The Journal of organic chemistry","2014","79","17","7926","7934","10.1021/jo5010422","","","0.71073","MoKα","","0.0872","0.0641","","","0.1554","0.1698","","","","","","1.059","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029876","25.069","0.003","10.0489","0.0012","20.245","0.002","90","","110.317","0.002","90","","4782.7","0.9","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 Cl N2 O2 -","- C27 H25 Cl N2 O2 -","- C216 H200 Cl8 N16 O16 -","8","1","","Ghabraie, Elmira; Balalaie, Saeed; Mehrparvar, Saber; Rominger, Frank","Synthesis of Functionalized β-Lactams and Pyrrolidine-2,5-diones through a Metal-Free Sequential Ugi-4CR/Cyclization Reaction.","The Journal of organic chemistry","2014","79","17","7926","7934","10.1021/jo5010422","","","0.71073","MoKα","","0.0775","0.0571","","","0.1328","0.1426","","","","","","1.138","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029877","10.7819","0.0015","11.2776","0.0018","12.123","0.003","114.81","0.004","97.625","0.004","108.463","0.003","1207.3","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 F3 N2 O2 -","- C28 H25 F3 N2 O2 -","- C56 H50 F6 N4 O4 -","2","1","","Ghabraie, Elmira; Balalaie, Saeed; Mehrparvar, Saber; Rominger, Frank","Synthesis of Functionalized β-Lactams and Pyrrolidine-2,5-diones through a Metal-Free Sequential Ugi-4CR/Cyclization Reaction.","The Journal of organic chemistry","2014","79","17","7926","7934","10.1021/jo5010422","","","0.71073","MoKα","","0.0609","0.0428","","","0.096","0.1085","","","","","","1.05","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029878","8.784","0.003","16.217","0.005","14.313","0.004","90","","123.483","0.014","90","","1700.5","1","293","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl N3 O4 S -","- C18 H12 Cl N3 O4 S -","- C72 H48 Cl4 N12 O16 S4 -","4","1","","Yang, Bingchuan; Tan, Xiaochen; Guo, Ruiying; Chen, Shunwei; Zhang, Zeyuan; Chu, Xianglong; Xie, Caixia; Zhang, Dongju; Ma, Chen","Transition Metal-Free One-Pot Synthesis of Fused 1,4-Thiazepin-5(4H)-ones and Theoretical Study of the S-N Type Smiles Rearrangement Process.","The Journal of organic chemistry","2014","79","17","8040","8048","10.1021/jo5011729","","","0.71","MoKα","","0.0779","0.0467","","","0.1352","0.1765","","","","","","1.111","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029879","10.1979","0.0003","15.8821","0.0004","21.6227","0.0008","90","","90","","90","","3502.1","0.19","291","2","291.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","1","","Li, Pengfei; Cheng, Guolin; Zhang, Hong; Xu, Xianxiang; Gao, Jingyuan; Cui, Xiuling","Copper-Catalyzed One-Pot Synthesis of Unsymmetrical Arylurea Derivatives via Tandem Reaction of Diaryliodonium Salts with N-Arylcyanamide.","The Journal of organic chemistry","2014","79","17","8156","8162","10.1021/jo501334u","","","1.54184","CuKα","","0.0626","0.045","","","0.1145","0.1256","","","","","","1.026","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029880","29.4","0.0016","5.6484","0.0003","23.9962","0.0015","90","","97.043","0.002","90","","3954.8","0.4","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 B N O -","- C27 H22 B N O -","- C216 H176 B8 N8 O8 -","8","1","","Molander, Gary A.; Wisniewski, Steven R.","Accessing 2,1-Borazaronaphthols: Self-Arylation of 1-Alkyl-2-aryl-3-bromo-2,1-borazaronaphthalenes.","The Journal of organic chemistry","2014","79","17","8339","8347","10.1021/jo501638q","","","0.71073","MoKα","","0.0426","0.036","","","0.0925","0.0981","","","","","","1.04","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029881","9.7741","0.0003","21.4114","0.0006","16.2306","0.0004","90","","107.616","0.001","90","","3237.41","0.16","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 B2 N2 O -","- C42 H34 B2 N2 O -","- C168 H136 B8 N8 O4 -","4","1","","Molander, Gary A.; Wisniewski, Steven R.","Accessing 2,1-Borazaronaphthols: Self-Arylation of 1-Alkyl-2-aryl-3-bromo-2,1-borazaronaphthalenes.","The Journal of organic chemistry","2014","79","17","8339","8347","10.1021/jo501638q","","","0.71073","MoKα","","0.0548","0.0414","","","0.1007","0.109","","","","","","1.018","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029882","12.372","0.003","5.7322","0.0013","14.47","0.004","90","","90","","90","","1026.2","0.4","173","","173","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C12 H13 F3 -","- C12 H13 F3 -","- C48 H52 F12 -","4","1","","Durie, Alastair J.; Fujiwara, Tomoya; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Stepwise Preparation of All-cis 1,3,4-Trifluoro-2-phenylcyclohexane, Avoiding a Phenonium Intermediate.","The Journal of organic chemistry","2014","79","17","8228","8233","10.1021/jo501432x","","","0.71075","MoKα","","","0.0394","","","","0.0874","","","","","","1.067","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029883","4.8383","0.0008","16.347","0.003","23.195","0.004","90","","90","","90","","1834.5","0.6","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 Br O -","- C10 H9 Br O -","- C80 H72 Br8 O8 -","8","2","","Tada, Atsuo; Tokoro, Yuichiro; Fukuzawa, Shin-Ichi","Palladium/ClickFerrophos-Catalyzed Asymmetric Domino Allylstannylation-Heck Reaction of o-Formylaryl Triflate.","The Journal of organic chemistry","2014","79","17","7905","7909","10.1021/jo5010247","","","0.71075","MoKα","","0.0803","0.0495","","","0.1059","0.1226","","","","","","0.919","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029884","12.594","0.003","15.145","0.002","19.256","0.005","78.32","0.03","76.694","0.019","73.73","0.03","3393.5","1.4","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H42 N3 O9 -","- C33 H42 N3 O9 -","- C132 H168 N12 O36 -","4","2","","Valera, Silvia; Taylor, James E.; Daniels, David S. B.; Dawson, Daniel M.; Athukorala Arachchige, Kasun S.; Ashbrook, Sharon E.; Slawin, Alexandra M. Z.; Bode, Bela E.","A modular approach for the synthesis of nanometer-sized polynitroxide multi-spin systems.","The Journal of organic chemistry","2014","79","17","8313","8323","10.1021/jo5015678","","","0.71075","MoKα","","","0.1029","","","","0.3423","","","","","","1.016","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029885","18.337","0.01","5.919","0.003","22.367","0.011","90","","106.085","0.015","90","","2333","2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O6 -","- C24 H30 N2 O6 -","- C96 H120 N8 O24 -","4","1","","Valera, Silvia; Taylor, James E.; Daniels, David S. B.; Dawson, Daniel M.; Athukorala Arachchige, Kasun S.; Ashbrook, Sharon E.; Slawin, Alexandra M. Z.; Bode, Bela E.","A modular approach for the synthesis of nanometer-sized polynitroxide multi-spin systems.","The Journal of organic chemistry","2014","79","17","8313","8323","10.1021/jo5015678","","","1.54187","CuKα","","","0.1094","","","","0.3611","","","","","","1.368","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029886","9.8295","0.0004","18.695","0.0006","11.8467","0.0006","90","","102.151","0.004","90","","2128.21","0.16","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1,6,6,10,10,14,14‒Octabromotetraspiro[2.1.25.1.29.1.213.13]hexadecane","","- C16 H16 Br8 -","- C16 H16 Br8 -","- C64 H64 Br32 -","4","1","","Averina, Elena B.; Sedenkova, Kseniya N.; Bakhtin, Stanislav G.; Grishin, Yuri K.; Kutateladze, Andrei G.; Roznyatovsky, Vitaly A.; Rybakov, Victor B.; Butov, Gennady M.; Kuznetsova, Tamara S.; Zefirov, Nikolay S.","symm-Tetramethylenecyclooctane: En Route to Polyspirocycles.","The Journal of organic chemistry","2014","79","17","8163","8170","10.1021/jo501380y","","","0.71073","MoKα","","0.1341","0.0465","","","0.0387","0.0525","","","","","","0.577","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029887","7.8402","0.0003","15.7396","0.0007","12.4837","0.0004","90","","103.122","0.003","90","","1500.28","0.1","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2,2"",2""-Tetrachloro-1'-methyldispiro[cyclopropane-1,3'- bicyclo[3.3.1]nonane-7',1""-cyclopropane]","","- C14 H18 Cl4 -","- C14 H18 Cl4 -","- C56 H72 Cl16 -","4","1","","Averina, Elena B.; Sedenkova, Kseniya N.; Bakhtin, Stanislav G.; Grishin, Yuri K.; Kutateladze, Andrei G.; Roznyatovsky, Vitaly A.; Rybakov, Victor B.; Butov, Gennady M.; Kuznetsova, Tamara S.; Zefirov, Nikolay S.","symm-Tetramethylenecyclooctane: En Route to Polyspirocycles.","The Journal of organic chemistry","2014","79","17","8163","8170","10.1021/jo501380y","","","1.54186","CuKα","","0.0545","0.0443","","","0.0988","0.1032","","","","","","0.919","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029888","14.0105","0.0008","14.0105","0.0008","33.006","0.002","90","","90","","90","","6478.9","0.7","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","3a","","","- C34 H30 Br N3 Ni O3 -","- C34 H30 Br N3 Ni O3 -","- C272 H240 Br8 N24 Ni8 O24 -","8","1","","Chen, Hui; Wang, Jiang; Zhou, Shengbin; Liu, Hong","Asymmetric Synthesis of Chiral Heterocyclic Amino Acids via the Alkylation of the Ni(II) Complex of Glycine and Alkyl Halides.","The Journal of organic chemistry","2014","79","17","7872","7879","10.1021/jo501571j","","","0.71073","MoKα","","0.0838","0.0477","","","0.0987","0.1095","","","","","","0.925","","","","has coordinates,has disorder","178477","2020-10-21","18:00:00",""
"4029889","6.1759","0.0011","11.8443","0.001","15.9609","0.0016","85.25","0.008","86.847","0.011","88.964","0.01","1161.6","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Br N O S -","- C11 H10 Br N O S -","- C44 H40 Br4 N4 O4 S4 -","4","2","","Chen, Xiao-Lan; Li, Xu; Qu, Ling-Bo; Tang, Yu-Chun; Mai, Wen-Peng; Wei, Dong-Hui; Bi, Wen-Zhu; Duan, Li-Kun; Sun, Kai; Chen, Jian-Yu; Ke, Dian-Dian; Zhao, Yu-Fen","Peroxides as ""Switches"" of Dialkyl H-Phosphonate: Two Mild and Metal-Free Methods for Preparation of 2-Acylbenzothiazoles and Dialkyl Benzothiazol-2-ylphosphonates.","The Journal of organic chemistry","2014","79","17","8407","8416","10.1021/jo501791n","","","1.54184","CuKα","","0.057","0.0455","","","0.1181","0.1297","","","","","","1.026","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029890","8.3733","0.0017","10.464","0.002","10.507","0.002","109.43","0.03","91.99","0.03","102.81","0.03","840.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 N O P S -","- C19 H14 N O P S -","- C38 H28 N2 O2 P2 S2 -","2","1","","Chen, Xiao-Lan; Li, Xu; Qu, Ling-Bo; Tang, Yu-Chun; Mai, Wen-Peng; Wei, Dong-Hui; Bi, Wen-Zhu; Duan, Li-Kun; Sun, Kai; Chen, Jian-Yu; Ke, Dian-Dian; Zhao, Yu-Fen","Peroxides as ""Switches"" of Dialkyl H-Phosphonate: Two Mild and Metal-Free Methods for Preparation of 2-Acylbenzothiazoles and Dialkyl Benzothiazol-2-ylphosphonates.","The Journal of organic chemistry","2014","79","17","8407","8416","10.1021/jo501791n","","","0.71073","MoKα","","0.1029","0.0715","","","0.1286","0.1439","","","","","","1.125","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029891","9.5648","0.0019","16.747","0.003","19.911","0.004","90","","90","","90","","3189.4","1.1","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 O6 Si -","- C36 H36 O6 Si -","- C144 H144 O24 Si4 -","4","1","","Tan, Yun Xuan; Santhanakrishnan, Sridhar; Yang, Hai Yan; Chai, Christina L. L.; Tam, Eric Kwok Wai","Synthesis of Neplanocin A and Its 3'-Epimer via an Intramolecular Baylis-Hillman Reaction.","The Journal of organic chemistry","2014","79","17","8059","8066","10.1021/jo501248e","","","0.71073","MoKα","","0.1056","0.0968","","","0.2477","0.2606","","","","","","1.131","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029892","7.2551","0.0016","9.233","0.002","21.918","0.005","90","","90","","90","","1468.2","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(phenanthren-9-yl)cyclohexanone","","- C20 H18 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","","Martin, Sara E.; Streeter, Matthew D.; Jones, Laurel L.; Klepfer, Matthew S.; Atmatzidis, Kyriakos; Wille, Kristen D.; Harrison, Sean A.; Hoegg, Edward D.; Sheridan, Heather M.; Kramer, Stephanie; Parrish, Damon A.; Amick, Aaron W.","A three-step process to facilitate the annulation of polycyclic aromatic hydrocarbons.","The Journal of organic chemistry","2014","79","17","8324","8330","10.1021/jo501576e","","","0.71073","MoKα","","0.0399","0.0322","","","0.0765","0.0809","","","","","","1.057","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029893","12.539","0.004","7.252","0.002","14.199","0.005","90","","110.964","0.005","90","","1205.7","0.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(naphthalen-1-yl)cyclohexanone","","- C16 H16 O -","- C16 H16 O -","- C64 H64 O4 -","4","1","","Martin, Sara E.; Streeter, Matthew D.; Jones, Laurel L.; Klepfer, Matthew S.; Atmatzidis, Kyriakos; Wille, Kristen D.; Harrison, Sean A.; Hoegg, Edward D.; Sheridan, Heather M.; Kramer, Stephanie; Parrish, Damon A.; Amick, Aaron W.","A three-step process to facilitate the annulation of polycyclic aromatic hydrocarbons.","The Journal of organic chemistry","2014","79","17","8324","8330","10.1021/jo501576e","","","0.71073","MoKα","","0.1345","0.0995","","","0.3157","0.3365","","","","","","1.076","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029894","7.1924","0.0011","8.3504","0.0013","11.6752","0.0018","71.605","0.005","77.199","0.005","82.165","0.006","647.17","0.17","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2-(1,2-dihydroacenaphthylen-5-yl)cyclohexanone","","- C18 H18 O -","- C18 H18 O -","- C36 H36 O2 -","2","1","","Martin, Sara E.; Streeter, Matthew D.; Jones, Laurel L.; Klepfer, Matthew S.; Atmatzidis, Kyriakos; Wille, Kristen D.; Harrison, Sean A.; Hoegg, Edward D.; Sheridan, Heather M.; Kramer, Stephanie; Parrish, Damon A.; Amick, Aaron W.","A three-step process to facilitate the annulation of polycyclic aromatic hydrocarbons.","The Journal of organic chemistry","2014","79","17","8324","8330","10.1021/jo501576e","","","0.71073","MoKα","","0.1137","0.0923","","","0.2389","0.251","","","","","","1.029","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029895","19.2843","0.0009","19.2843","0.0009","7.3129","0.0002","90","","90","","90","","2719.55","0.19","293","2","293","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C17 H13 Cl O -","- C17 H13 Cl O -","- C136 H104 Cl8 O8 -","8","","","Liu, Qiang; Meng, Jiang; Liu, Yang; Yang, Chao; Xia, Wujiong","Synthesis of Benzobicycloheptanones via the Trap of Photogenerated Ketene Methide Intermediate with Olefins.","The Journal of organic chemistry","2014","79","17","8143","8155","10.1021/jo5013465","","","1.5418","CuKα","","0.0446","0.0397","","","0.1024","0.1063","","","","","","1.049","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029896","6.4492","0.0005","7.6732","0.0007","15.1467","0.0011","101.507","0.007","94.517","0.006","90.802","0.007","731.86","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 Cl2 N6 O2 -","- C13 H8 Cl2 N6 O2 -","- C26 H16 Cl4 N12 O4 -","2","1","","Sadhu, Pradeep; Alla, Santhosh Kumar; Punniyamurthy, Tharmalingam","Room-Temperature Cu(II)-Catalyzed Chemo- and Regioselective Ortho-Nitration of Arenes via C-H Functionalization.","The Journal of organic chemistry","2014","79","18","8541","8549","10.1021/jo501617g","","","0.71073","MoKα","","0.0784","0.045","","","0.0604","0.0722","","","","","","1.228","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029897","6.6745","0.0005","9.0337","0.0005","9.4283","0.0006","90","","90","","90","","568.48","0.06","150","1","150","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C4 N6 -","- C4 N6 -","- C16 N24 -","4","","","Vo, Hoa-Lan; Arthur, Jordan L.; Capdevila-Cortada, Marçal; Lapidus, Saul H.; Stephens, Peter W.; Novoa, Juan J.; Arif, Atta M.; Nagi, Ramneet K.; Bartl, Michael H.; Miller, Joel S.","Structure and Properties of Nitrogen-Rich 1,4-Dicyanotetrazine, C4N6: A Comparative Study with Related Tetracyano Electron Acceptors.","The Journal of organic chemistry","2014","79","17","8189","8201","10.1021/jo5014004","","","0.71073","MoKα","","0.0378","0.0326","","","0.0801","0.0828","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029898","9.1187","0.0003","5.06264","0.00019","6.6952","0.0003","90","","91.508","0.003","90","","308.97","0.02","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2,4,5-tetrazine-3,6dicarboxamide","","","- C4 H4 N6 O2 -","- C4 H4 N6 O2 -","- C8 H8 N12 O4 -","2","0.5","","Vo, Hoa-Lan; Arthur, Jordan L.; Capdevila-Cortada, Marçal; Lapidus, Saul H.; Stephens, Peter W.; Novoa, Juan J.; Arif, Atta M.; Nagi, Ramneet K.; Bartl, Michael H.; Miller, Joel S.","Structure and Properties of Nitrogen-Rich 1,4-Dicyanotetrazine, C4N6: A Comparative Study with Related Tetracyano Electron Acceptors.","The Journal of organic chemistry","2014","79","17","8189","8201","10.1021/jo5014004","powder diffraction","","0.69998","","","","","","","","","","0.048","2.223","","","","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029899","5.31813","0.00016","12.3831","0.0004","12.7743","0.0004","108.423","0.003","94.901","0.002","95.386","0.002","788.69","0.05","293","","170","","","","","","","","","5","P -1","-P 1","2","","(E)-2-(Pentafluorosulfanyl)but-2-enedioic acid","","- C4 H3 F5 O4 S -","- C4 H3 F5 O4 S -","- C16 H12 F20 O16 S4 -","4","2","","Vida, Norbert; Pastýříková, Tereza; Klepetářová, Blanka; Beier, Petr","Synthesis of Aliphatic Sulfur Pentafluorides by Oxidation of SF5-Containing Anisole, Phenols, and Anilines.","The Journal of organic chemistry","2014","79","18","8906","8911","10.1021/jo501562z","","x-ray","1.5418","CuKα","","0.0457","0.0448","","0.0538","0.0535","0.0535","","","","","","1.0993","","","","has coordinates,has disorder","134301","2020-10-21","18:00:00",""
"4029900","9.731","0.003","9.869","0.002","12.3","0.002","71.031","0.002","73.507","0.002","78.962","0.003","1064.7","0.4","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C48 H56 N2 O7 -","- C48 H56 N2 O7 -","- C48 H56 N2 O7 -","1","0.5","","Shalev, Ori; Biali, Silvio E.","Incorporation of Three or Two Distal Double Bonds at the Methylene Bridges of the Calix[4]arene Scaffold.","The Journal of organic chemistry","2014","79","18","8584","8591","10.1021/jo501177g","","","0.71073","MoKα","","0.1035","0.0943","","","0.1947","0.1997","","","","","","1.239","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029901","12.479","0.001","13.945","0.001","14.645","0.001","90","","113.72","0.001","90","","2333.2","0.3","295","1","295","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H64 O4.5 -","- C50 H64 O4.5 -","- C100 H128 O9 -","2","0.5","","Shalev, Ori; Biali, Silvio E.","Incorporation of Three or Two Distal Double Bonds at the Methylene Bridges of the Calix[4]arene Scaffold.","The Journal of organic chemistry","2014","79","18","8584","8591","10.1021/jo501177g","","","0.71073","MoKα","","0.0973","0.0775","","","0.1954","0.2089","","","","","","1.094","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029902","9.9505","0.0006","15.3979","0.0009","15.463","0.009","82.51","0.001","75.843","0.001","77.234","0.001","2233.1","1.3","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C48.5 H60 O7 -","- C48.5 H60 O7 -","- C97 H120 O14 -","2","1","","Shalev, Ori; Biali, Silvio E.","Incorporation of Three or Two Distal Double Bonds at the Methylene Bridges of the Calix[4]arene Scaffold.","The Journal of organic chemistry","2014","79","18","8584","8591","10.1021/jo501177g","","","0.71073","MoKα","","0.1021","0.0968","","","0.2431","0.2472","","","","","","1.171","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029903","9.6551","0.0006","18.218","0.001","12.0682","0.0006","90","","105.377","0.003","90","","2046.8","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42.5 H43 Cl N2 O4 S2 -","- C42.5 H43 Cl N2 O4 S2 -","- C85 H86 Cl2 N4 O8 S4 -","2","1","","Chen, Chun-Chih; Gopula, Balraj; Syu, Jin-Fong; Pan, Jhih-Han; Kuo, Ting-Shen; Wu, Ping-Yu; Henschke, Julian P.; Wu, Hsyueh-Liang","Enantioselective and rapid rh-catalyzed arylation of N-tosyl- and N-nosylaldimines in methanol.","The Journal of organic chemistry","2014","79","17","8077","8085","10.1021/jo5012653","","","0.71073","MoKα","","0.1719","0.0919","","","0.2472","0.3111","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029904","7.8655","0.0003","17.0671","0.0004","17.918","0.0006","90","","90","","90","","2405.34","0.13","143.2","0.5","143.2","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br N2 O4 -","- C27 H23 Br N2 O4 -","- C108 H92 Br4 N8 O16 -","4","1","","Lian, Xiangjin; Guo, Songsong; Wang, Gang; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of Spiro[isoxazolin-3,3'-oxindoles] via the Catalytic 1,3-Dipolar Cycloaddition Reaction of Nitrile Oxides.","The Journal of organic chemistry","2014","79","16","7703","7710","10.1021/jo5012625","","","0.7107","MoKα","","0.0544","0.0411","","","0.0735","0.0797","","","","","","0.99","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029905","10.7167","0.0007","11.36","0.0007","11.7847","0.0008","92.87","0.005","116.657","0.007","94.955","0.006","1271.03","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N4 O4 -","- C29 H18 N4 O4 -","- C58 H36 N8 O8 -","2","1","","Wang, Xiang; Wang, Shun-Yi; Ji, Shun-Jun","Chemoselective Synthesis of Polycyclic Spiroindolines and Polysubstituted Pyrroles via the Domino Reaction of 2-Isocyanoethylindoles.","The Journal of organic chemistry","2014","79","18","8577","8583","10.1021/jo501143m","","","0.71073","MoKα","","0.1278","0.0828","","","0.2248","0.2654","","","","","","1.028","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029906","9.3617","0.0005","10.2507","0.0006","15.3883","0.0008","93.759","0.005","95.647","0.005","102.436","0.005","1429.35","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","2","","Mahendar, Lodi; Gopi Krishna Reddy, Alavala; Krishna, Jonnada; Satyanarayana, Gedu","[Cu]-Catalyzed Domino Sonogashira Coupling Followed by Intramolecular 5-exo-dig Cyclization: Synthesis of 1,3-Dihydro-2-benzofurans.","The Journal of organic chemistry","2014","79","18","8566","8576","10.1021/jo501137q","","","1.54184","CuKα","","0.0523","0.0412","","","0.1072","0.116","","","","","","1.041","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029907","14.686","0.003","14.693","0.003","19.515","0.005","80.48","0.015","78.54","0.014","61.55","0.012","3616.4","1.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H61 N5 O -","- C90 H60.99 N5 O0.99 -","- C180 H121.98 N10 O1.98 -","2","1","","Li, Yanbang; Gan, Liangbing","Selective Addition of Secondary Amines to C60: Formation of Penta- and Hexaamino[60]fullerenes.","The Journal of organic chemistry","2014","79","18","8912","8916","10.1021/jo5015867","","","0.71073","MoKα","","0.1627","0.1172","","","0.2798","0.3003","","","","","","1.415","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029908","14.0793","0.0008","14.234","0.0009","16.9088","0.001","67.063","0.006","88.451","0.005","61.28","0.006","2682.4","0.4","179.99","0.1","179.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C82 H41 N5 O S4 -","- C82 H40 N5 O S4 -","- C164 H80 N10 O2 S8 -","2","1","","Li, Yanbang; Gan, Liangbing","Selective Addition of Secondary Amines to C60: Formation of Penta- and Hexaamino[60]fullerenes.","The Journal of organic chemistry","2014","79","18","8912","8916","10.1021/jo5015867","","","0.7107","MoKα","","0.1234","0.0712","","","0.1543","0.1914","","","","","","1.029","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029909","10.5531","0.0005","12.5597","0.0005","12.6208","0.0011","96.964","0.005","103.03","0.006","90.128","0.004","1616.96","0.18","180","0.1","180","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 S -","- C22 H18 S -","- C88 H72 S4 -","4","2","","Hossain, Mohammad Lokman; Ye, Fei; Liu, Zhenxing; Xia, Ying; Shi, Yi; Zhou, Lei; Zhang, Yan; Wang, Jianbo","Synthesis of Phenanthrenes through Copper-Catalyzed Cross-Coupling of N-Tosylhydrazones with Terminal Alkynes.","The Journal of organic chemistry","2014","79","18","8689","8699","10.1021/jo501489c","","","0.7107","MoKα","","0.0638","0.044","","","0.1042","0.1167","","","","","","1.017","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029910","12.4927","0.0004","6.17535","0.00017","16.8213","0.0005","90","","104.242","0.003","90","","1257.82","0.07","99.97","0.13","99.97","0.13","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","2","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0446","0.0401","","","0.1005","0.1042","","","","","","0.832","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029911","6.9853","0.0005","7.1516","0.0005","12.7164","0.0007","79.339","0.005","80.647","0.005","88.762","0.005","615.97","0.07","173","0.14","173","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C28 H36 O8 -","2","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0408","0.038","","","0.1056","0.1088","","","","","","1.004","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029912","7.0387","0.0005","8.9608","0.0008","9.3606","0.0009","111.215","0.009","102.239","0.008","107.014","0.007","491.7","0.1","173","0.14","173","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C22 H24 O8 -","2","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0342","0.0331","","","0.084","0.0849","","","","","","1.001","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029913","12.2312","0.0003","10.0207","0.0003","10.3349","0.0002","90","","91.72","0.002","90","","1266.13","0.05","99.9","0.3","99.9","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0362","0.0324","","","0.0812","0.0836","","","","","","1.004","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029914","18.9743","0.0011","5.115","0.0003","10.7934","0.0006","90","","99.83","0.006","90","","1032.16","0.1","99.95","0.13","99.95","0.13","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0464","0.0458","","","0.1199","0.1207","","","","","","1.002","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029915","7.73155","0.00006","24.5151","0.0002","13.61877","0.0001","90","","91.9617","0.0007","90","","2579.79","0.03","99.9","0.2","99.9","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C128 H128 O32 -","8","2","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0357","0.0335","","","0.0812","0.083","","","","","","1.003","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029916","10.4727","0.0006","9.8328","0.0006","11.28","0.001","90","","109.31","0.008","90","","1096.22","0.14","99.98","0.14","99.98","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0368","0.0325","","","0.086","0.0895","","","","","","1.003","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029917","13.2824","0.0003","9.79556","0.00019","9.33453","0.00016","90","","94.5724","0.0016","90","","1210.64","0.04","99.96","0.17","99.96","0.17","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C56 H56 O24 -","4","1","","Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao","Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.","The Journal of organic chemistry","2014","79","18","8774","8785","10.1021/jo501604e","","x-ray","1.5418","CuKα","","0.0418","0.0317","","","0.0758","0.0793","","","","","","1.002","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029918","15.7368","0.0009","16.751","0.001","21.3729","0.0014","96.646","0.003","100.085","0.003","111.312","0.002","5067.9","0.5","100","1","100","1","","","","","","","","5","P -1","-P 1","2","Pt-5,15-(3,5-dibutoxycarbonylphenyl)-syn-dibenzoporphyrin","","","- C60 H56 N4 O8 Pt -","- C60 H56 N4 O8 Pt -","- C240 H224 N16 O32 Pt4 -","4","2","","Esipova, Tatiana V.; Vinogradov, Sergei A.","Synthesis of Phosphorescent Asymmetrically π-Extended Porphyrins for Two-Photon Applications.","The Journal of organic chemistry","2014","79","18","8812","8825","10.1021/jo501521x","","","0.71073","MoKα","","0.1209","0.0602","","","0.1449","0.1864","","","","","","1.066","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029919","6.3309","0.0007","21.2857","0.0017","10.2101","0.0008","90","","94.018","0.008","90","","1372.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C68 H60 N12 O4 -","4","1","","Garg, Parul; Chaudhary, Shweta; Milton, Marilyn D.","Synthesis of 2-Aryl/Heteroaryloxazolines from Nitriles under Metal- and Catalyst-Free Conditions and Evaluation of Their Antioxidant Activities.","The Journal of organic chemistry","2014","79","18","8668","8677","10.1021/jo501430p","","","0.71073","MoKα","","0.0828","0.0571","","","0.1264","0.1432","","","","","","1.029","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029920","12.71","0.02","5.3452","0.0015","30.525","0.018","90","","95.94","0.02","90","","2063","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C96 H96 N16 O8 -","8","2","","Garg, Parul; Chaudhary, Shweta; Milton, Marilyn D.","Synthesis of 2-Aryl/Heteroaryloxazolines from Nitriles under Metal- and Catalyst-Free Conditions and Evaluation of Their Antioxidant Activities.","The Journal of organic chemistry","2014","79","18","8668","8677","10.1021/jo501430p","","","0.71073","MoKα","","0.2047","0.0806","","","0.1396","0.1863","","","","","","1.066","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029921","9.594","0.006","11.315","0.007","13.443","0.007","90","","94.37","0.05","90","","1455.1","1.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Garg, Parul; Chaudhary, Shweta; Milton, Marilyn D.","Synthesis of 2-Aryl/Heteroaryloxazolines from Nitriles under Metal- and Catalyst-Free Conditions and Evaluation of Their Antioxidant Activities.","The Journal of organic chemistry","2014","79","18","8668","8677","10.1021/jo501430p","","","0.71073","MoKα","","0.1413","0.0771","","","0.1904","0.2395","","","","","","0.941","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029922","8.2291","0.0008","9.9232","0.001","13.4701","0.0013","88.964","0.001","76.241","0.001","66.242","0.001","974.11","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C46 H42 N6 O4 -","2","1","","He, Xinwei; Shang, Yongjia; Yu, Zhiyu; Fang, Mei; Zhou, Yao; Han, Guang; Wu, Fuli","FeCl3-Catalyzed Four-Component Nucleophilic Addition/Intermolecular Cyclization Yielding Polysubstituted Pyridine Derivatives.","The Journal of organic chemistry","2014","79","18","8882","8888","10.1021/jo5014383","","","0.71073","MoKα","","0.0666","0.0494","","","0.1339","0.154","","","","","","1.037","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029923","8.0882","0.0007","18.5212","0.0015","14.2817","0.0012","90","","104.474","0.001","90","","2071.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N4 O4 -","- C22 H20 N4 O4 -","- C88 H80 N16 O16 -","4","1","","He, Xinwei; Shang, Yongjia; Yu, Zhiyu; Fang, Mei; Zhou, Yao; Han, Guang; Wu, Fuli","FeCl3-Catalyzed Four-Component Nucleophilic Addition/Intermolecular Cyclization Yielding Polysubstituted Pyridine Derivatives.","The Journal of organic chemistry","2014","79","18","8882","8888","10.1021/jo5014383","","","0.71073","MoKα","","0.0796","0.0552","","","0.1485","0.167","","","","","","1.054","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029924","10.823","0.003","18.18","0.004","13.015","0.003","90","","95.063","0.007","90","","2550.9","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","2","","Díaz-Moscoso, Alejandro; Emond, Edward; Hughes, David L.; Tizzard, Graham J.; Coles, Simon J.; Cammidge, Andrew N.","Synthesis of a Class of Core-Modified Aza-BODIPY Derivatives.","The Journal of organic chemistry","2014","79","18","8932","8936","10.1021/jo501863t","","","0.71075","MoKα","","0.152","0.0753","","","0.138","0.1676","","","","","","1.017","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029925","6.3207","0.0002","15.0052","0.0005","22.6397","0.0007","93.288","0.003","93.164","0.003","90.947","0.003","2140.01","0.12","140","2","140","1","","","","","","","","3","P -1","-P 1","2","","","","- C30 H21 N3 -","- C30 H21 N3 -","- C120 H84 N12 -","4","2","","Díaz-Moscoso, Alejandro; Emond, Edward; Hughes, David L.; Tizzard, Graham J.; Coles, Simon J.; Cammidge, Andrew N.","Synthesis of a Class of Core-Modified Aza-BODIPY Derivatives.","The Journal of organic chemistry","2014","79","18","8932","8936","10.1021/jo501863t","","","0.71073","Mo-Kα","","0.0787","0.0476","","","0.0799","0.0886","","","","","","1.021","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029926","6.2684","0.0002","15.0958","0.0005","25.284","0.0017","92.532","0.007","91.034","0.006","91.031","0.006","2389.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H25 N3 O2 -","- C32 H25 N3 O2 -","- C128 H100 N12 O8 -","4","2","","Díaz-Moscoso, Alejandro; Emond, Edward; Hughes, David L.; Tizzard, Graham J.; Coles, Simon J.; Cammidge, Andrew N.","Synthesis of a Class of Core-Modified Aza-BODIPY Derivatives.","The Journal of organic chemistry","2014","79","18","8932","8936","10.1021/jo501863t","","","0.71075","MoKα","","0.1043","0.056","","","0.108","0.1242","","","","","","1.03","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029927","9.8801","0.0008","10.3199","0.0009","14.6283","0.0013","80.05","0.006","71.94","0.005","63.397","0.005","1266.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 B F2 N3 O2 -","- C32 H24 B F2 N3 O2 -","- C64 H48 B2 F4 N6 O4 -","2","1","","Díaz-Moscoso, Alejandro; Emond, Edward; Hughes, David L.; Tizzard, Graham J.; Coles, Simon J.; Cammidge, Andrew N.","Synthesis of a Class of Core-Modified Aza-BODIPY Derivatives.","The Journal of organic chemistry","2014","79","18","8932","8936","10.1021/jo501863t","","","0.71075","MoKα","","0.1315","0.0613","","","0.1276","0.1578","","","","","","0.96","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029928","9.6515","0.0003","14.4863","0.0014","20.1681","0.0014","90","","98.122","0.005","90","","2791.5","0.3","295","2","295","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31.5 H28 B Cl Fe N P -","- C31.5 H28 B Cl Fe N P -","- C126 H112 B4 Cl4 Fe4 N4 P4 -","4","2","","Utepova, Irina A.; Chupakhin, Oleg N.; Serebrennikova, Polina O.; Musikhina, Alexandra A.; Charushin, Valery N.","Two approaches in the synthesis of planar chiral azinylferrocenes.","The Journal of organic chemistry","2014","79","18","8659","8667","10.1021/jo5014299","","","0.71073","MoKα","","0.0945","0.0435","","","0.099","0.1057","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029929","16.043","0.002","5.0891","0.0007","24.389","0.003","90","","101.335","0.009","90","","1952.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Br O4 -","- C21 H21 Br O4 -","- C84 H84 Br4 O16 -","4","1","","Gogoi, Paramartha; Das, Vijay K.; Saikia, Anil K.","Diastereoselective Synthesis of Substituted Tetrahydrofurans via Prins Cyclization of Enol Ethers.","The Journal of organic chemistry","2014","79","18","8592","8598","10.1021/jo501197y","","","0.71073","MoKα","","0.2206","0.0791","","","0.1835","0.2315","","","","","","1.28","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029930","11.0213","0.0003","17.4606","0.0004","8.8968","0.0004","90","","99.669","0.001","90","","1687.77","0.1","100","2","100","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C17 H22 N2 O7 -","- C17 H22 N2 O7 -","- C68 H88 N8 O28 -","4","1","","Lago-Santomé, Hugo; Martínez-Bescos, Patricia; Fernández-González, Marta; Ozores-Viturro, Lidia; Cagide-Fagín, Fernando; Alonso, Ricardo","β-Aryl-α-nitro-α,β-enals as Heterodienes and Dienophiles.","The Journal of organic chemistry","2014","79","18","8645","8651","10.1021/jo501418u","","x-ray","0.71073","MoKα","","0.0384","0.0338","","","0.0824","0.0851","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029931","10.1068","0.0003","11.4613","0.0003","20.4388","0.0007","77.611","0.003","83.791","0.003","79.541","0.002","2268.11","0.12","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H57 Br3 N6 O3 -","- C39 H57 Br3 N6 O3 -","- C78 H114 Br6 N12 O6 -","2","2","","Faggi, Enrico; Porcar, Raúl; Bolte, Michael; Luis, Santiago V.; García-Verdugo, Eduardo; Alfonso, Ignacio","Chiral imidazolium receptors for citrate and malate: the importance of the preorganization.","The Journal of organic chemistry","2014","79","19","9141","9149","10.1021/jo5014977","","","1.54184","CuKα","","0.1178","0.0999","","","0.3166","0.3346","","","","","","1.347","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029932","23.4217","0.0018","7.2389","0.0004","8.3178","0.0006","90","","110.206","0.006","90","","1323.47","0.17","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H36 Br2 N4 O2 -","- C26 H36 Br2 N4 O2 -","- C52 H72 Br4 N8 O4 -","2","0.5","","Faggi, Enrico; Porcar, Raúl; Bolte, Michael; Luis, Santiago V.; García-Verdugo, Eduardo; Alfonso, Ignacio","Chiral imidazolium receptors for citrate and malate: the importance of the preorganization.","The Journal of organic chemistry","2014","79","19","9141","9149","10.1021/jo5014977","","","0.71073","MoKα","","0.0406","0.0392","","","0.1053","0.1063","","","","","","1.063","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029933","19.096","0.002","8.8874","0.001","24.908","0.003","90","","90","","90","","4227.2","0.8","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C176 H176 N48 O16 -","16","2","","Rajam, Sridhar; Jadhav, Abhijit V.; Li, Qian; Sarkar, Sujan K.; Singh, Pradeep N. D.; Rohr, Ahleah; Pace, Tamara C. S.; Li, Rui; Krause, Jeanette A.; Bohne, Cornelia; Ault, Bruce S.; Gudmundsdottir, Anna D.","Triplet sensitized photolysis of a vinyl azide: direct detection of a triplet vinyl azide and nitrene.","The Journal of organic chemistry","2014","79","19","9325","9334","10.1021/jo501898p","","","0.7749","synchrotron","","0.0503","0.0395","","","0.1132","0.1231","","","","","","1.035","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029934","16.6232","0.0002","8.487","0.0001","24.2138","0.0002","90","","109.581","0.001","90","","3218.55","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C168 H152 N8 O16 -","8","2","","Danilkina, N. A.; Kulyashova, A. E.; Khlebnikov, A. F.; Bräse, S; Balova, I. A.","Electrophilic cyclization of aryldiacetylenes in the synthesis of functionalized enediynes fused to a heterocyclic core.","The Journal of organic chemistry","2014","79","19","9018","9045","10.1021/jo501396s","","","1.5418","CuKα","","0.0479","0.047","","","0.1295","0.1303","","","","","","1.064","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029935","13.361","0.002","16.306","0.003","20.844","0.003","74.337","0.003","75.436","0.003","81.902","0.003","4219","1.2","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-(Leu-Leu-Ac5N3)2-OMe","","- C42 H70 N18 O9 -","- C42 H70 N18 O9 -","- C126 H210 N54 O27 -","3","3","","Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.","The Journal of organic chemistry","2014","79","19","9125","9140","10.1021/jo501493x","","","0.71073","MoKα","","0.1013","0.0864","","","0.2284","0.2459","","","","","","1.023","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029936","12.2673","0.001","18.0264","0.0014","54.885","0.004","90","","90","","90","","12137","1.6","240","2","240","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-(Ac5N3)6-OMe","","- C42 H54 N42 O9 -","- C42 H54 N42 O9 -","- C336 H432 N336 O72 -","8","2","","Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.","The Journal of organic chemistry","2014","79","19","9125","9140","10.1021/jo501493x","","","0.71073","MoKα","","0.0945","0.0879","","","0.2505","0.2593","","","","","","1.085","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029937","23.275","0.002","38.487","0.003","11.2451","0.001","90","","90","","90","","10073.2","1.5","240","2","240","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-(Leu-Leu-Ac5N3)4-OMe","","- C78 H128 N36 O15 -","- C78 H128 N36 O15 -","- C312 H512 N144 O60 -","4","1","","Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.","The Journal of organic chemistry","2014","79","19","9125","9140","10.1021/jo501493x","","","0.71073","MoKα","","0.0893","0.0765","","","0.2187","0.2343","","","","","","1.033","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029938","10.867","0.0007","23.2902","0.0018","15.3789","0.0011","90","","93.761","0.002","90","","3883.9","0.5","143","2","143","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","Boc-(Leu-Leu-(R,R)Ac5(N3))3-OMe.MeOH","","- C61 H103 N27 O13 -","- C61 H103 N27 O13 -","- C122 H206 N54 O26 -","2","1","","Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.","The Journal of organic chemistry","2014","79","19","9125","9140","10.1021/jo501493x","","","0.7107","MoKα","","0.1254","0.089","","","0.2152","0.2434","","","","","","1.03","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029939","7.0598","0.0004","8.494","0.0005","10.5944","0.0006","97.816","0.003","93.664","0.002","113.447","0.003","572.54","0.06","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","6H-quinazolino[4,3-b]quinazoline-6,8(5H)-dione","","- C15 H9 N3 O2 -","- C15 H9 N3 O2 -","- C30 H18 N6 O4 -","2","1","","Bergman, Jan; Arewång, Carl-Johan; Svensson, Per H.","Oxidative ring expansion of spirocyclic oxindole derivatives.","The Journal of organic chemistry","2014","79","19","9065","9073","10.1021/jo501269f","","","0.71073","MoKα","","0.0739","0.0415","","","0.1014","0.1117","","","","","","1.056","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4029940","8.1501","0.0004","17.73","0.0008","17.8702","0.0009","111.23","0.001","90.19","0.001","98.07","0.002","2379.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","13-Hydroxyimino-6H-quinoazolino[3,4-a]quinazoline-6 (7H)-one","","- C15 H10 N4 O2 -","- C15 H10 N4 O2 -","- C120 H80 N32 O16 -","8","4","","Bergman, Jan; Arewång, Carl-Johan; Svensson, Per H.","Oxidative ring expansion of spirocyclic oxindole derivatives.","The Journal of organic chemistry","2014","79","19","9065","9073","10.1021/jo501269f","","","0.7","synchrotron","","0.0706","0.0687","","","0.2169","0.2181","","","","","","1.002","","","","has coordinates","208160","2020-10-21","18:00:00",""
"4029941","40.0502","0.001","23.755","0.0005","28.4445","0.0006","90","","129.97","0.0007","90","","20739.6","0.8","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H72 Cl4 Ir2 O2 P2 -","- C50 H72 Cl4 Ir2 O2 P2 -","- C800 H1152 Cl64 Ir32 O32 P32 -","16","2","","Nagata, Tomoya; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro","Iridium-catalyzed annulative coupling of 2-arylbenzoyl chlorides with alkynes: selective formation of phenanthrene derivatives.","The Journal of organic chemistry","2014","79","19","8960","8967","10.1021/jo501835u","","","0.71073","MoKα","","0.0625","0.0411","","","0.0917","0.1008","","","","","","1.011","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029942","16.672","0.0012","9.9486","0.0007","18.7198","0.0013","90","","90.02","","90","","3104.9","0.4","102","2","102","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H30 N6 O4 -","- C41 H30 N6 O4 -","- C164 H120 N24 O16 -","4","0.5","","Banerjee, Swagata; Bright, Sandra A.; Smith, Jayden A.; Burgeat, Jeremy; Martinez-Calvo, Miguel; Williams, D. Clive; Kelly, John M.; Gunnlaugsson, Thorfinnur","Supramolecular Approach to Enantioselective DNA Recognition Using Enantiomerically Resolved Cationic 4-Amino-1,8-naphthalimide-Based Tröger's Bases.","The Journal of organic chemistry","2014","79","19","9272","9283","10.1021/jo501711g","","x-ray","0.71073","MoKα","","","0.0391","","","0.0971","0.1055","","","","","","1.004","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029943","8.9801","0.0001","6.8503","0.0001","10.1338","0.0002","90","","102.746","0.002","90","","608.033","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C28 H36 O6 -","2","1","","Doran, Robert; Guiry, Patrick J.","Catalytic Asymmetric Synthesis of Sterically Hindered Tertiary α-Aryl Ketones.","The Journal of organic chemistry","2014","79","19","9112","9124","10.1021/jo5014806","","","1.54184","CuKα","","0.0441","0.0434","","","0.1223","0.1234","","","","","","1.068","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029944","8.1569","0.00007","9.74184","0.00008","8.33981","0.00006","90","","101.428","0.0007","90","","649.569","0.009","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C28 H36 O8 -","2","1","","Doran, Robert; Guiry, Patrick J.","Catalytic Asymmetric Synthesis of Sterically Hindered Tertiary α-Aryl Ketones.","The Journal of organic chemistry","2014","79","19","9112","9124","10.1021/jo5014806","","","1.54184","CuKα","","0.0277","0.0267","","","0.07","0.071","","","","","","1.058","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029945","5.7152","0.0009","10.2166","0.0016","11.0264","0.0017","63.897","0.005","84.349","0.006","77.26","0.005","563.93","0.15","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 O6 S2 -","- C22 H30 O6 S2 -","- C22 H30 O6 S2 -","1","0.5","","Pappenfus, Ted M.; Seidenkranz, Daniel T.; Lovander, Matthew D.; Beck, Travis L.; Karels, Brandon J.; Ogawa, Katsu; Janzen, Daron E.","Synthesis and Electronic Properties of Oxidized Benzo[1,2-b:4,5-b']dithiophenes.","The Journal of organic chemistry","2014","79","19","9408","9412","10.1021/jo5017585","","","0.71075","MoKα","","","0.0362","","","","0.099","","","","","","1.047","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029946","8.0141","0.0013","25.471","0.005","7.4012","0.0012","90","","99.659","0.007","90","","1489.4","0.5","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Br2 O6 S2 -","- C26 H36 Br2 O6 S2 -","- C52 H72 Br4 O12 S4 -","2","0.5","","Pappenfus, Ted M.; Seidenkranz, Daniel T.; Lovander, Matthew D.; Beck, Travis L.; Karels, Brandon J.; Ogawa, Katsu; Janzen, Daron E.","Synthesis and Electronic Properties of Oxidized Benzo[1,2-b:4,5-b']dithiophenes.","The Journal of organic chemistry","2014","79","19","9408","9412","10.1021/jo5017585","","","0.71075","MoKα","","","0.0673","","","","0.1428","","","","","","1.199","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029947","5.6618","0.0009","9.0551","0.0015","13.657","0.002","102.316","0.007","90.782","0.006","96.64","0.007","678.94","0.19","213","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H38 O6 S2 -","- C26 H38 O6 S2 -","- C26 H38 O6 S2 -","1","0.5","","Pappenfus, Ted M.; Seidenkranz, Daniel T.; Lovander, Matthew D.; Beck, Travis L.; Karels, Brandon J.; Ogawa, Katsu; Janzen, Daron E.","Synthesis and Electronic Properties of Oxidized Benzo[1,2-b:4,5-b']dithiophenes.","The Journal of organic chemistry","2014","79","19","9408","9412","10.1021/jo5017585","","","0.71075","MoKα","","","0.0673","","","","0.1936","","","","","","1.038","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029948","13.1978","0.0016","22.799","0.003","6.8177","0.0008","90","","98.9986","0.0016","90","","2026.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O S2 -","- C25 H19 N O S2 -","- C100 H76 N4 O4 S8 -","4","1","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","0.71073","MoKα","","0.0669","0.0413","","","0.0952","0.1112","","","","","","1.076","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029949","5.516","0.002","9.667","0.004","11.016","0.004","72.675","0.007","86.768","0.008","88.228","0.008","559.8","0.4","90","2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 N2 S2 -","- C28 H20 N2 S2 -","- C28 H20 N2 S2 -","1","0.5","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","0.71073","MoKα","","0.0962","0.0805","","","0.1965","0.2042","","","","","","1.184","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029950","17.4801","0.0002","24.8084","0.0003","10.8082","0.0002","90","","105.87","0.0006","90","","4508.36","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H19.5 Cl1.5 N O S2 -","- C25.5 H19.5 Cl1.5 N O S2 -","- C204 H156 Cl12 N8 O8 S16 -","8","2","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","1.54178","CuKα","","0.0561","0.0533","","","0.1552","0.159","","","","","","1.044","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029951","17.0701","0.0013","10.6332","0.0009","11.9628","0.0011","90","","106.038","0.006","90","","2086.9","0.3","90","0.1","90","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N2 S2 -","- C28 H18 N2 S2 -","- C112 H72 N8 S8 -","4","1","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","1.54178","CuKα","","0.1234","0.0805","","","0.2046","0.23","","","","","","1.06","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029952","11.6513","0.0002","12.2564","0.0002","15.2898","0.0003","90","","90","","90","","2183.43","0.07","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H28 N2 S2 -","- C24 H28 N2 S2 -","- C96 H112 N8 S8 -","4","0.5","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","1.54178","CuKα","","0.0573","0.0489","","","0.1258","0.1408","","","","","","1.245","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029953","6.5738","0.0006","8.9116","0.0008","17.237","0.0015","90","","97.4332","0.0013","90","","1001.31","0.16","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 S2 -","- C24 H26 N2 S2 -","- C48 H52 N4 S4 -","2","0.5","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","0.71073","MoKα","","0.0475","0.0388","","","0.0884","0.0922","","","","","","1.045","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029954","20.5364","0.0008","5.4027","0.0002","18.7745","0.0009","90","","90","","90","","2083.07","0.15","90","2","90.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H18 N2 S2 -","- C28 H18 N2 S2 -","- C112 H72 N8 S8 -","4","1","","Boice, Geneviève; Patrick, Brian O.; McDonald, Robert; Bohne, Cornelia; Hicks, Robin","Synthesis and photophysics of thioindigo diimines and related compounds.","The Journal of organic chemistry","2014","79","19","9196","9205","10.1021/jo501630f","","","1.54178","CuKα","","0.036","0.0334","","","0.0861","0.0879","","","","","","1.05","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029955","5.429","0.004","8.743","0.005","16.342","0.011","96.3","0.03","96.6","0.03","92.33","0.03","764.8","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C32 H34 N6 O6 -","2","1","","Holland, Ryan J.; Klose, John R.; Deschamps, Jeffrey R.; Cao, Zhao; Keefer, Larry K.; Saavedra, Joseph E.","Direct reaction of amides with nitric oxide to form diazeniumdiolates.","The Journal of organic chemistry","2014","79","19","9389","9393","10.1021/jo501670e","","","0.71073","MoKα","","0.2446","0.0772","","","0.1677","0.2435","","","","","","0.703","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029956","18.3109","0.0019","10.8087","0.0009","20.0132","0.0016","90","","109.785","0.004","90","","3727.1","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N4 O3 -","- C20 H18 N4 O3 -","- C160 H144 N32 O24 -","8","1","","Holland, Ryan J.; Klose, John R.; Deschamps, Jeffrey R.; Cao, Zhao; Keefer, Larry K.; Saavedra, Joseph E.","Direct reaction of amides with nitric oxide to form diazeniumdiolates.","The Journal of organic chemistry","2014","79","19","9389","9393","10.1021/jo501670e","","","0.71073","MoKα","","0.0863","0.0454","","","0.1252","0.1423","","","","","","0.839","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029957","6.244","0.0006","14.7133","0.0014","29.145","0.003","90","","90","","90","","2677.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl3 I O -","- C28 H26 Cl3 I O -","- C112 H104 Cl12 I4 O4 -","4","1","","Xu, Wen-Rong; Chow, Hak-Fun; Cao, Xiao-Ping; Kuck, Dietmar","Regiocontrolled synthesis and optical resolution of mono-, di-, and trisubstituted tribenzotriquinacene derivatives: key building blocks for further assembly into molecular squares and cubes.","The Journal of organic chemistry","2014","79","19","9335","9346","10.1021/jo501904y","","","0.71073","MoKα","","0.0644","0.0586","","","0.1672","0.1775","","","","","","1.06","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029958","14.7136","0.0015","6.2522","0.0006","29.166","0.003","90","","90","","90","","2683","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl3 I O -","- C28 H26 Cl3 I O -","- C112 H104 Cl12 I4 O4 -","4","1","","Xu, Wen-Rong; Chow, Hak-Fun; Cao, Xiao-Ping; Kuck, Dietmar","Regiocontrolled synthesis and optical resolution of mono-, di-, and trisubstituted tribenzotriquinacene derivatives: key building blocks for further assembly into molecular squares and cubes.","The Journal of organic chemistry","2014","79","19","9335","9346","10.1021/jo501904y","","","0.71073","MoKα","","0.0646","0.0596","","","0.1716","0.1792","","","","","","1.049","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029959","7.9222","0.0004","9.853","0.0004","20.0514","0.001","90","","92.404","0.002","90","","1563.78","0.13","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N O5 S Si -","- C29 H45 N O5 S Si -","- C58 H90 N2 O10 S2 Si2 -","2","1","","Williams, Brett D.; Smith, 3rd, Amos B","Total Synthesis of (+)-18-epi-Latrunculol A: Development of a Synthetic Route.","The Journal of organic chemistry","2014","79","19","9284","9296","10.1021/jo501733m","","","0.71073","MoKα","","0.0453","0.0413","","","0.1108","0.1146","","","","","","1.037","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029960","5.1338","0.0001","15.8134","0.0004","20.2951","0.0005","90","","90","","90","","1647.61","0.07","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 N2 O4 S -","- C16 H22 N2 O4 S -","- C64 H88 N8 O16 S4 -","4","1","","Williams, Brett D.; Smith, 3rd, Amos B","Total Synthesis of (+)-18-epi-Latrunculol A: Development of a Synthetic Route.","The Journal of organic chemistry","2014","79","19","9284","9296","10.1021/jo501733m","","","0.71073","MoKα","","0.0348","0.0328","","","0.0917","0.0936","","","","","","1.067","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029961","27.15","0.009","15.576","0.005","8.563","0.003","90","","90","","90","","3621","2","243","2","243","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H23 Cl N Rh -","- C18 H23 Cl N Rh -","- C144 H184 Cl8 N8 Rh8 -","8","2","","Gupta, Sreya; Han, Junghoon; Kim, Yongjin; Lee, Soon W.; Rhee, Young Ho; Park, Jaiwook","C-h activation guided by aromatic N-h ketimines: synthesis of functionalized isoquinolines using benzyl azides and alkynes.","The Journal of organic chemistry","2014","79","19","9094","9103","10.1021/jo501465q","","","0.71073","MoKα","","0.1282","0.0495","","","0.0639","0.0861","","","","","","0.785","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029962","7.441","0.0004","15.3649","0.0008","16.7791","0.0009","90","","95.969","0.001","90","","1907.96","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 N O Rh -","- C18 H26 Cl2 N O Rh -","- C72 H104 Cl8 N4 O4 Rh4 -","4","1","","Gupta, Sreya; Han, Junghoon; Kim, Yongjin; Lee, Soon W.; Rhee, Young Ho; Park, Jaiwook","C-h activation guided by aromatic N-h ketimines: synthesis of functionalized isoquinolines using benzyl azides and alkynes.","The Journal of organic chemistry","2014","79","19","9094","9103","10.1021/jo501465q","","","0.71073","MoKα","","0.0889","0.0397","","","0.0692","0.088","","","","","","0.963","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029963","11.645","0.002","7.142","0.0014","21.215","0.004","90","","99.78","0.03","90","","1738.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 Cl N O4 -","- C22 H12 Cl N O4 -","- C88 H48 Cl4 N4 O16 -","4","1","","Zhang, Zhenming; Ouyang, Lu; Wu, Wanqing; Li, Jianxiao; Zhang, Zhicai; Jiang, Huanfeng","Palladium-catalyzed intermolecular oxyvinylcyclization of alkenes with alkynes: an approach to 3-methylene γ-lactones and tetrahydrofurans.","The Journal of organic chemistry","2014","79","22","10734","10742","10.1021/jo501606c","","","0.71073","MoKα","","0.1797","0.0904","","","0.2727","0.3441","","","","","","0.965","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029964","12.4071","0.0007","12.8438","0.0007","11.3777","0.0006","90","","115.763","0.003","90","","1632.86","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","1","","Yang, Yuanfa; Wang, Lina; Zhang, Fang; Zhu, Gangguo","Preparation of (Z)-α,β-Disubstituted Enamides via Palladium-Catalyzed Addition of Boronic Acids to Ynamides.","The Journal of organic chemistry","2014","79","19","9319","9324","10.1021/jo501894j","","","0.71073","MoKα","","","0.0439","","","0.1199","0.1322","","","","","","1.055","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029965","28.0291","0.0006","25.3002","0.0005","13.8427","0.0004","90","","90","","90","","9816.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C48 H66 Br2 O9 Si2 -","- C48 H66 Br2 O9 Si2 -","- C384 H528 Br16 O72 Si16 -","8","2","","Myers, Eddie; Herrero-Gómez, Elena; Albrecht, Irina; Lachs, Jennifer; Mayer, Peter; Hanni, Matti; Ochsenfeld, Christian; Trauner, Dirk","Total synthesis of the proposed structure of trichodermatide a.","The Journal of organic chemistry","2014","79","20","9812","9817","10.1021/jo501206k","","","0.71073","MoKα","","0.0784","0.0405","","","0.0688","0.073","","","","","","0.816","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029966","5.1037","0.0003","12.7494","0.0007","31.1738","0.0017","90","","92.531","0.003","90","","2026.5","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 O7 -","- C22 H32 O7 -","- C88 H128 O28 -","4","1","","Myers, Eddie; Herrero-Gómez, Elena; Albrecht, Irina; Lachs, Jennifer; Mayer, Peter; Hanni, Matti; Ochsenfeld, Christian; Trauner, Dirk","Total synthesis of the proposed structure of trichodermatide a.","The Journal of organic chemistry","2014","79","20","9812","9817","10.1021/jo501206k","","","0.71073","MoKα","","0.1762","0.0625","","","0.106","0.1292","","","","","","0.939","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029967","9.8661","0.0002","12.1391","0.0003","12.6797","0.0003","74.046","0.002","77.445","0.002","67.218","0.002","1335.61","0.06","296","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 F3 N O3 -","- C14 H12 F3 N O3 -","- C56 H48 F12 N4 O12 -","4","2","","Kim, JungKeun; Shokova, Elvira; Tafeenko, Victor; Kovalev, Vladimir","(CF3CO)2O/CF3SO3H-mediated synthesis of 1,3-diketones from carboxylic acids and aromatic ketones.","Beilstein journal of organic chemistry","2014","10","","2270","2278","10.3762/bjoc.10.236","","","1.54186","CuKα","","0.1014","0.0422","","","0.1033","0.1203","","","","","","0.701","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029968","6.872","0.0002","22.4177","0.0004","7.7044","0.0002","90","","90.798","0.002","90","","1186.78","0.05","293","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Kim, JungKeun; Shokova, Elvira; Tafeenko, Victor; Kovalev, Vladimir","(CF3CO)2O/CF3SO3H-mediated synthesis of 1,3-diketones from carboxylic acids and aromatic ketones.","Beilstein journal of organic chemistry","2014","10","","2270","2278","10.3762/bjoc.10.236","","","1.54086","CuKα","","0.0735","0.0507","","","0.1203","0.1283","","","","","","0.875","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029969","4.7721","0.0001","11.6674","0.0004","28.3435","0.0007","90","","91.577","0.001","90","","1577.51","0.07","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7-bromo-3-(bromphenyl)-2,4-dihydro-indeno[1,2-c]pyrazole","","","- C18 H14 Br2 N2 -","- C18 H14 Br2 N2 -","- C72 H56 Br8 N8 -","4","1","","Kim, JungKeun; Shokova, Elvira; Tafeenko, Victor; Kovalev, Vladimir","(CF3CO)2O/CF3SO3H-mediated synthesis of 1,3-diketones from carboxylic acids and aromatic ketones.","Beilstein journal of organic chemistry","2014","10","","2270","2278","10.3762/bjoc.10.236","","","1.54186","CuKα","","0.0521","0.04","","","0.0971","0.1001","","","","","","0.902","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029970","6.5776","0.0003","7.4148","0.0003","17.7488","0.0009","100.413","0.004","92.503","0.004","104.794","0.004","819.48","0.07","295","2","295","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 O2 -","- C21 H24 O2 -","- C42 H48 O4 -","2","1","","Kim, JungKeun; Shokova, Elvira; Tafeenko, Victor; Kovalev, Vladimir","(CF3CO)2O/CF3SO3H-mediated synthesis of 1,3-diketones from carboxylic acids and aromatic ketones.","Beilstein journal of organic chemistry","2014","10","","2270","2278","10.3762/bjoc.10.236","","","1.54086","CuKα","","0.0836","0.063","","","0.1678","0.1853","","","","","","0.752","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029971","19.928","0.004","6.3285","0.0013","13.209","0.003","90","","91.27","0.03","90","","1665.4","0.6","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","0.5","","Wan, Jie-Ping; Zhou, Youyi; Cao, Shuo","Domino reactions involving the branched C-N and c═c cleavage of enaminones toward pyridines synthesis.","The Journal of organic chemistry","2014","79","20","9872","9877","10.1021/jo5018266","","","0.71073","MoKα","","0.0592","0.0372","","","0.0904","0.108","","","","","","1.134","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029972","20.891","0.0004","16.1795","0.0003","10.0364","0.0003","90","","90","","90","","3392.36","0.14","291","2","291.15","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C38 H38.25 Cl N2 O2.13 P Pd -","- C38 H28 Cl N2 O2.125 P Pd -","- C152 H112 Cl4 N8 O8.5 P4 Pd4 -","4","1","","Hao, Xin-Qi; Huang, Juan-Juan; Wang, Tao; Lv, Jing; Gong, Jun-Fang; Song, Mao-Ping","PCN Pincer Palladium(II) Complex Catalyzed Enantioselective Hydrophosphination of Enones: Synthesis of Pyridine-Functionalized Chiral Phosphine Oxides as NCsp(3)O Pincer Preligands.","The Journal of organic chemistry","2014","79","20","9512","9530","10.1021/jo5015307","","","0.7107","MoKα","","0.0529","0.0428","","","0.0911","0.0968","","","","","","1.044","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029973","7.9822","0.0002","17.328","0.0005","17.6516","0.0007","90","","90","","90","","2441.49","0.13","291","2","291.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl N O3 P Pd -","- C27 H23 Cl N O3 P Pd -","- C108 H92 Cl4 N4 O12 P4 Pd4 -","4","1","","Hao, Xin-Qi; Huang, Juan-Juan; Wang, Tao; Lv, Jing; Gong, Jun-Fang; Song, Mao-Ping","PCN Pincer Palladium(II) Complex Catalyzed Enantioselective Hydrophosphination of Enones: Synthesis of Pyridine-Functionalized Chiral Phosphine Oxides as NCsp(3)O Pincer Preligands.","The Journal of organic chemistry","2014","79","20","9512","9530","10.1021/jo5015307","","","0.71073","MoKα","","0.0392","0.0318","","","0.0597","0.063","","","","","","1.043","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029974","5.9141","0.0002","11.5887","0.0003","21.4526","0.0006","90","","93.276","0.002","90","","1467.89","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Br N O -","- C19 H12 Br N O -","- C76 H48 Br4 N4 O4 -","4","1","","Wang, Fuyao; Shen, Yongmiao; Hu, Huayou; Wang, Xiangshan; Wu, Hui; Liu, Yun","Copper(II)-Catalyzed Indolizines Formation Followed by Dehydrogenative Functionalization Cascade to Synthesize 1-Bromoindolizines.","The Journal of organic chemistry","2014","79","20","9556","9566","10.1021/jo501626b","","","0.71073","MoKα","","0.0429","0.0342","","","0.0861","0.0909","","","","","","1.113","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029975","9.6062","0.0014","18.877","0.003","20.063","0.003","107.633","0.009","98.257","0.01","97.712","0.009","3369.8","0.9","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H36 N2 O5 -","- C27 H35.8 N2 O5 -","- C135 H179 N10 O25 -","5","5","","Das, Sayantan; Goswami, Rajib Kumar","Stereoselective total synthesis of marine cyclodepsipeptide calcaripeptides a-C.","The Journal of organic chemistry","2014","79","20","9778","9791","10.1021/jo5019798","","","0.71073","MoKα","","0.1944","0.081","","","0.1786","0.2526","","","","","","1.032","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4029976","11.2752","0.0004","10.1733","0.0004","15.1181","0.0005","90","","94.113","0.002","90","","1729.67","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trp031014","trp031014","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C80 H100 N4 O12 -","4","1","","Porter, Thomas R.; Kaminsky, Werner; Mayer, James M.","Preparation, structural characterization, and thermochemistry of an isolable 4-arylphenoxyl radical.","The Journal of organic chemistry","2014","79","20","9451","9454","10.1021/jo501531a","","","0.71073","MoKα","","0.0455","0.0364","","","0.0968","0.1038","","","","","","1.04","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029977","12.0741","0.0008","13.1671","0.0008","22.1093","0.0014","90","","90","","90","","3515","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","trp030514","trp030514","","- C20 H24 N O3 -","- C20 H24 N O3 -","- C160 H192 N8 O24 -","8","1","","Porter, Thomas R.; Kaminsky, Werner; Mayer, James M.","Preparation, structural characterization, and thermochemistry of an isolable 4-arylphenoxyl radical.","The Journal of organic chemistry","2014","79","20","9451","9454","10.1021/jo501531a","","","0.71073","MoKα","","0.0571","0.0397","","","0.0965","0.1058","","","","","","1.012","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029978","11.094","0.004","12.716","0.004","13.616","0.005","72.135","0.005","74.147","0.006","82.734","0.006","1756.8","1.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 N2 O2 S2 -","- C44 H36 N2 O2 S2 -","- C88 H72 N4 O4 S4 -","2","1","","Ganapathi, Emandi; Lee, Way-Zen; Ravikanth, Mangalampalli","Stable nonaromatic [20]dithiaporphyrin (2.1.1.1) macrocycles: synthesis, structure, spectral, electrochemical, and metal ion sensing studies.","The Journal of organic chemistry","2014","79","20","9603","9612","10.1021/jo501724d","","","0.71073","MoKα","","0.1486","0.066","","","0.1546","0.2058","","","","","","1","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029979","9.779","0.005","15.51","0.009","15.774","0.008","115.884","0.01","104.725","0.009","90.077","0.01","2064.4","1.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H33 I N2 O2 S2 -","- C43 H33 I N2 O2 S2 -","- C86 H66 I2 N4 O4 S4 -","2","1","","Ganapathi, Emandi; Lee, Way-Zen; Ravikanth, Mangalampalli","Stable nonaromatic [20]dithiaporphyrin (2.1.1.1) macrocycles: synthesis, structure, spectral, electrochemical, and metal ion sensing studies.","The Journal of organic chemistry","2014","79","20","9603","9612","10.1021/jo501724d","","","0.71073","MoKα","","0.2586","0.0986","","","0.2239","0.315","","","","","","1.314","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029980","8.3116","0.0002","7.9434","0.0002","12.1109","0.0003","90","","91.6599","0.0013","90","","799.25","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O4 -","- C17 H25 N O4 -","- C34 H50 N2 O8 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Stereospecific Cyclization Strategies for α,ε-Dihydroxy-β-amino Esters: Asymmetric Syntheses of Imino and Amino Sugars.","The Journal of organic chemistry","2014","79","20","9686","9698","10.1021/jo5018298","","","0.71073","MoKα","","0.0383","0.033","","0.0813","0.0763","0.0813","","","","","","0.9267","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029981","8.0958","0.0001","15.5197","0.0003","21.6546","0.0003","90","","90","","90","","2720.78","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O6 -","- C28 H39 N O6 -","- C112 H156 N4 O24 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Stereospecific Cyclization Strategies for α,ε-Dihydroxy-β-amino Esters: Asymmetric Syntheses of Imino and Amino Sugars.","The Journal of organic chemistry","2014","79","20","9686","9698","10.1021/jo5018298","","","0.71073","MoKα","","0.0374","0.0324","","0.0806","0.0784","0.0806","","","","","","0.9869","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029982","6.5462","0.0002","8.6135","0.0003","15.1907","0.0005","90","","90","","90","","856.54","0.05","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl N O4 -","- C6 H14 Cl N O4 -","- C24 H56 Cl4 N4 O16 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Stereospecific Cyclization Strategies for α,ε-Dihydroxy-β-amino Esters: Asymmetric Syntheses of Imino and Amino Sugars.","The Journal of organic chemistry","2014","79","20","9686","9698","10.1021/jo5018298","","","0.71073","MoKα","","0.0236","0.0223","","0.0553","0.0546","0.0553","","","","","","1.0186","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029983","5.09924","0.00011","8.14026","0.00019","20.2137","0.0004","90","","91.852","0.002","90","","838.62","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O8 -","- C14 H21 N O8 -","- C28 H42 N2 O16 -","2","1","","Davies, Stephen G.; Foster, Emma M.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Stereospecific Cyclization Strategies for α,ε-Dihydroxy-β-amino Esters: Asymmetric Syntheses of Imino and Amino Sugars.","The Journal of organic chemistry","2014","79","20","9686","9698","10.1021/jo5018298","","","1.54184","CuKα","","0.0373","0.036","","0.0948","0.0926","0.0948","","","","","","1.0053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029984","8.0389","0.0007","22.5581","0.0018","12.9197","0.0011","90","","91.043","0.006","90","","2342.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 B3 N4 P -","- C25 H36 B N2 P -","- C100 H144 B4 N8 P4 -","4","1","","Busacca, Carl A.; Milligan, John A.; Rattanangkool, Eakkaphon; Ramavarapu, Cyrus; Chen, Anji; Saha, Anjan K.; Li, Zhibin; Lee, Heewon; Geib, Steven J.; Wang, Guijun; Senanayake, Chris H.; Wipf, Peter","Synthesis of phosphaguanidines by hydrophosphination of carbodiimides with phosphine boranes.","The Journal of organic chemistry","2014","79","20","9878","9887","10.1021/jo501841s","","","1.54178","CuKα","","0.0794","0.0411","","","0.1081","0.1426","","","","","","0.978","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029985","13.7887","0.0008","11.9484","0.0006","15.2068","0.0008","90","","97.149","0.002","90","","2485.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 B N2 P -","- C25 H42 B N2 P -","- C100 H168 B4 N8 P4 -","4","1","","Busacca, Carl A.; Milligan, John A.; Rattanangkool, Eakkaphon; Ramavarapu, Cyrus; Chen, Anji; Saha, Anjan K.; Li, Zhibin; Lee, Heewon; Geib, Steven J.; Wang, Guijun; Senanayake, Chris H.; Wipf, Peter","Synthesis of phosphaguanidines by hydrophosphination of carbodiimides with phosphine boranes.","The Journal of organic chemistry","2014","79","20","9878","9887","10.1021/jo501841s","","","1.54178","CuKα","","0.0428","0.0418","","","0.1473","0.1521","","","","","","1.403","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029986","12.0541","0.0003","16.1202","0.0004","15.0576","0.0003","90","","92.0953","0.0012","90","","2923.95","0.12","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H49 B2 F4 N2 P -","- C25 H49 B2 F4 N2 P -","- C100 H196 B8 F16 N8 P4 -","4","1","","Busacca, Carl A.; Milligan, John A.; Rattanangkool, Eakkaphon; Ramavarapu, Cyrus; Chen, Anji; Saha, Anjan K.; Li, Zhibin; Lee, Heewon; Geib, Steven J.; Wang, Guijun; Senanayake, Chris H.; Wipf, Peter","Synthesis of phosphaguanidines by hydrophosphination of carbodiimides with phosphine boranes.","The Journal of organic chemistry","2014","79","20","9878","9887","10.1021/jo501841s","","","1.54178","CuKα","","0.0601","0.0468","","","0.13","0.1374","","","","","","1.381","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029987","11.3394","0.0005","13.9575","0.0007","14.6789","0.0008","93.95","0.003","90.335","0.002","104.56","0.002","2242.63","0.19","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H34 B N2 P -","- C23 H34 B N2 P -","- C92 H136 B4 N8 P4 -","4","2","","Busacca, Carl A.; Milligan, John A.; Rattanangkool, Eakkaphon; Ramavarapu, Cyrus; Chen, Anji; Saha, Anjan K.; Li, Zhibin; Lee, Heewon; Geib, Steven J.; Wang, Guijun; Senanayake, Chris H.; Wipf, Peter","Synthesis of phosphaguanidines by hydrophosphination of carbodiimides with phosphine boranes.","The Journal of organic chemistry","2014","79","20","9878","9887","10.1021/jo501841s","","","1.54178","CuKα","","0.0743","0.0628","","","0.1796","0.1853","","","","","","1.904","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029988","18.637","0.004","7.6745","0.0016","11.725","0.003","90","","101.421","0.016","90","","1643.8","0.7","113","","113","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Okamoto, Noriko; Sueda, Takuya; Yanada, Reiko","Bi(OTf)3-Catalyzed Tandem Meyer-Schuster Rearrangement and 1,4-Addition to the Resulting Vinyl Ketone.","The Journal of organic chemistry","2014","79","20","9854","9859","10.1021/jo5017663","","","1.54187","CuKα","","","0.0421","","","","0.0717","","","","","","1.034","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029989","3.838","0.0004","7.3609","0.0008","16.283","0.0017","90","","92.324","0.01","90","","459.63","0.08","100.05","0.1","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 N4 S3 -","- C7 H6 N4 S3 -","- C14 H12 N8 S6 -","2","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.","The Journal of organic chemistry","2014","79","20","9717","9727","10.1021/jo501881y","","","0.71073","MoKα","","0.0473","0.0432","","","0.101","0.1051","","","","","","1.062","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029990","7.9239","0.0007","8.1833","0.0006","11.9333","0.0011","86.14","0.007","78.319","0.008","65.964","0.008","691.97","0.11","100","3","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H17 N5 S2 -","- C11 H17 N5 S2 -","- C22 H34 N10 S4 -","2","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.","The Journal of organic chemistry","2014","79","20","9717","9727","10.1021/jo501881y","","","0.71073","MoKα","","0.066","0.0503","","","0.1343","0.1466","","","","","","1.076","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029991","3.922","0.0003","16.852","0.0014","13.4334","0.0011","90","","94.338","0.008","90","","885.32","0.12","100.05","0.1","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 S2 -","- C7 H6 N4 S2 -","- C28 H24 N16 S8 -","4","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.","The Journal of organic chemistry","2014","79","20","9717","9727","10.1021/jo501881y","","","0.71073","MoKα","","0.0445","0.0392","","","0.0979","0.1006","","","","","","1.052","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029992","9.7319","0.0004","18.6419","0.0009","9.2096","0.0005","90","","94.93","0.004","90","","1664.63","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N8 S3 -","- C14 H12 N8 S3 -","- C56 H48 N32 S12 -","4","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.","The Journal of organic chemistry","2014","79","20","9717","9727","10.1021/jo501881y","","","0.71073","MoKα","","0.0497","0.0438","","","0.1176","0.1222","","","","","","1.062","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029993","7.8861","0.0006","8.2893","0.001","8.3398","0.0009","113.381","0.011","99.47","0.008","97.678","0.008","481.53","0.1","100.05","0.1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 N4 S3 -","- C7 H6 N4 S3 -","- C14 H12 N8 S6 -","2","1","","Koyioni, Maria; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of fused 1,2,4-dithiazines and 1,2,3,5-trithiazepines.","The Journal of organic chemistry","2014","79","20","9717","9727","10.1021/jo501881y","","","0.71073","MoKα","","0.0602","0.0442","","","0.0965","0.1059","","","","","","1.036","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029994","7.4466","0.0008","11.1033","0.0012","12.5493","0.0013","74.933","0.005","73.64","0.005","78.131","0.005","951.49","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F3 N2 O2 -","- C22 H17 F3 N2 O2 -","- C44 H34 F6 N4 O4 -","2","1","","Zhou, Xiaoli; Liu, Meiling; Luo, Puying; Lai, Yingjun; Yang, Tangtao; Ding, Qiuping","Synthesis of 2-trifluoromethylpyrazolo[5,1-a]isoquinolines via silver triflate-catalyzed or electrophile-mediated one-pot tandem reaction.","Beilstein journal of organic chemistry","2014","10","","2286","2292","10.3762/bjoc.10.238","","","0.71073","MoKα","","0.1102","0.0792","","","0.224","0.2589","","","","","","1.071","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029995","19.222","0.008","13.042","0.005","14.091","0.006","90","","95.239","0.005","90","","3518","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 F3 I N2 O2 -","- C18 H14 F3 I N2 O2 -","- C144 H112 F24 I8 N16 O16 -","8","1","","Zhou, Xiaoli; Liu, Meiling; Luo, Puying; Lai, Yingjun; Yang, Tangtao; Ding, Qiuping","Synthesis of 2-trifluoromethylpyrazolo[5,1-a]isoquinolines via silver triflate-catalyzed or electrophile-mediated one-pot tandem reaction.","Beilstein journal of organic chemistry","2014","10","","2286","2292","10.3762/bjoc.10.238","","","0.71073","MoKα","","0.0487","0.0409","","","0.1051","0.1118","","","","","","1.004","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029996","11.2767","0.0007","5.3947","0.0003","11.4249","0.0008","90","","108.049","0.003","90","","660.83","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 Br N O5 -","- C12 H12 Br N O5 -","- C24 H24 Br2 N2 O10 -","2","1","","Roy, Suparna; Chen, Kan-Fu; Gurubrahamam, Ramani; Chen, Kwunmin","Organocatalytic kinetic resolution of racemic secondary nitroallylic alcohols combined with simultaneous desymmetrization of prochiral cyclic anhydrides.","The Journal of organic chemistry","2014","79","19","8955","8959","10.1021/jo501882q","","","0.71073","MoKα","","0.0222","0.0196","","","0.0429","0.0435","","","","","","0.935","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029997","8.1739","0.0005","11.6246","0.0007","22.2901","0.0013","90","","90","","90","","2118","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl2 N2 O2 -","- C19 H18 Cl2 N2 O2 -","- C76 H72 Cl8 N8 O8 -","4","1","","Zhu, Ren-Yi; Wang, Cong-Shuai; Zheng, Jian; Shi, Feng; Tu, Shu-Jiang","Organocatalytic asymmetric inverse-electron-demand 1,3-dipolar cycloaddition of n,n'-cyclic azomethine imines.","The Journal of organic chemistry","2014","79","19","9305","9312","10.1021/jo5018469","","","0.71073","MoKα","","0.0705","0.0543","","","0.1532","0.1622","","","","","","1.066","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029998","10.2176","0.0001","10.2887","0.0002","24.2502","0.0003","90","","90","","90","","2549.32","0.06","175","","175","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 N O5 -","- C26 H39 N O5 -","- C104 H156 N4 O20 -","4","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0381","0.0376","","","0.0945","0.0953","","","","","","1.07","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029999","25.5016","0.0005","25.5016","0.0005","5.8826","0.0001","90","","90","","120","","3313.1","0.11","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 32","P 32","145","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C126 H192 O30 -","6","2","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0512","0.0477","","","0.1379","0.1421","","","","","","1.075","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4030000","8.2272","0.0004","18.3055","0.0008","18.5334","0.0009","90","","90","","90","","2791.2","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Br N O5 S -","- C28 H38 Br N O5 S -","- C112 H152 Br4 N4 O20 S4 -","4","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0281","0.0276","","","0.0743","0.0747","","","","","","1.041","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030001","9.636","0.00009","9.3346","0.00009","10.4933","0.0001","90","","100.023","0.0003","90","","929.448","0.015","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C42 H60 O6 -","2","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","x-ray","1.54178","CuKα","","0.0278","0.0276","","","0.0729","0.0731","","","","","","1.038","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030002","13.884","0.003","14.04","0.003","14.355","0.003","118.32","0.03","92.91","0.03","103.95","0.03","2345.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H47 N4 O8 S2 -","- C52 H47 N4 O8 S2 -","- C104 H94 N8 O16 S4 -","2","1","","Jeon, Hyun Ji; Jung, Da Jung; Kim, Ju Hyun; Kim, Youngmee; Bouffard, Jean; Lee, Sang-Gi","From Triazoles to Imidazolines through the Sequential N-H Insertion of α-Imino Rhodium-Carbenes into β-Enamino Esters/Enamine-Imine Tautomerization/Conjugate Addition Cascade.","The Journal of organic chemistry","2014","79","20","9865","9871","10.1021/jo501785d","","","0.71073","MoKα","","0.2024","0.0782","","","0.1656","0.2142","","","","","","0.953","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030003","10.44","0.002","13.354","0.003","17.733","0.004","89.41","0.03","85.38","0.03","72.64","0.03","2351.7","1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","2","","Jeon, Hyun Ji; Jung, Da Jung; Kim, Ju Hyun; Kim, Youngmee; Bouffard, Jean; Lee, Sang-Gi","From Triazoles to Imidazolines through the Sequential N-H Insertion of α-Imino Rhodium-Carbenes into β-Enamino Esters/Enamine-Imine Tautomerization/Conjugate Addition Cascade.","The Journal of organic chemistry","2014","79","20","9865","9871","10.1021/jo501785d","","","0.71073","MoKα","","0.063","0.0505","","","0.1376","0.145","","","","","","1.088","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030004","6.4801","0.0002","7.5911","0.0002","9.3705","0.0003","89.089","0.002","85.416","0.002","66.739","0.003","422.06","0.02","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C9 H8 O4 -","- C9 H8 O4 -","- C18 H16 O8 -","2","1","","Hodgson, David M.; Man, Stanislav; Powell, Kimberley J.; Perko, Ziga; Zeng, Minxiang; Moreno-Clavijo, Elena; Thompson, Amber L.; Moore, Michael D.","Intramolecular oxonium ylide formation-[2,3] sigmatropic rearrangement of diazocarbonyl-substituted cyclic unsaturated acetals: a formal synthesis of hyperolactone C.","The Journal of organic chemistry","2014","79","20","9728","9734","10.1021/jo501893r","","","1.5418","CuKα","","0.0294","0.0288","","0.0726","0.0721","0.0726","","","","","","1.0024","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030005","9.58","0.004","10.49","0.004","20.176","0.007","90","","90","","90","","2027.6","1.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 O S2 -","- C25 H18 O S2 -","- C100 H72 O4 S8 -","4","1","","Liu, Changhui; Gu, Yanlong","Synthesis of Densely Substituted 1,3-Butadienes through Acid-Catalyzed Alkenylations of α-Oxoketene Dithioacetals with Aldehydes.","The Journal of organic chemistry","2014","79","20","9619","9627","10.1021/jo5017234","","","0.71073","MoKα","","0.0653","0.0476","","","0.1377","0.1555","","","","","","1.004","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030006","12.0216","0.0002","18.9542","0.0003","27.6717","0.0019","90","","90","","90","","6305.3","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C78.2 H64.4 N O8.6 P -","- C73 H54 N O6 P -","- C292 H216 N4 O24 P4 -","4","1","","Isaac, Kévin; Stemper, Jérémy; Servajean, Vincent; Retailleau, Pascal; Pastor, Julien; Frison, Gilles; Kaupmees, Karl; Leito, Ivo; Betzer, Jean-François; Marinetti, Angela","Planar chiral phosphoric acids with biphenylene-tethered paracyclophane scaffolds: synthesis, characterization, and catalytic screening.","The Journal of organic chemistry","2014","79","20","9639","9646","10.1021/jo501769t","","","1.54187","CuKα","","0.1144","0.078","","","0.1923","0.2406","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030007","11.2788","0.0011","12.8154","0.0013","14.632","0.0014","90","","90","","90","","2114.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl3 N O6 P -","- C18 H23 Cl3 N O6 P -","- C72 H92 Cl12 N4 O24 P4 -","4","1","","Sartillo-Piscil, Fernando; Quintero, Leticia; Cruz-Gregorio, Silvano; Espinosa-Aguirre, Javier; Elinos-Baez, Carmen M; Höpfl, Herbert; Serrano, Abel","Further Evidence on the Favorable Role of the Anomeric Effect on the Cleavage of HepDirect and Cyclophosphamide Prodrugs.","The Journal of organic chemistry","2014","79","20","9647","9654","10.1021/jo501772g","","","0.71073","MoKα","","0.04","0.0387","","","0.0876","0.0883","","","","","","1.093","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030008","6.2184","0.0015","16.744","0.004","10.777","0.003","90","","91.444","0.004","90","","1121.8","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H23 Cl3 N O6 P -","- C18 H23 Cl3 N O6 P -","- C36 H46 Cl6 N2 O12 P2 -","2","1","","Sartillo-Piscil, Fernando; Quintero, Leticia; Cruz-Gregorio, Silvano; Espinosa-Aguirre, Javier; Elinos-Baez, Carmen M; Höpfl, Herbert; Serrano, Abel","Further Evidence on the Favorable Role of the Anomeric Effect on the Cleavage of HepDirect and Cyclophosphamide Prodrugs.","The Journal of organic chemistry","2014","79","20","9647","9654","10.1021/jo501772g","","","0.71073","MoKα","","0.0658","0.0603","","","0.1316","0.1344","","","","","","1.173","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030009","10.1013","0.0002","7.05282","0.00015","10.41517","0.00019","90","","92.2668","0.0013","90","","741.42","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H17 N3 -","- C20 H17 N3 -","- C40 H34 N6 -","2","1","","Takeda, Takashi; Sugihara, Hiroyuki; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic behavior, electrochromism, and two-photon absorption of dicyanomethylenated quinacridone.","The Journal of organic chemistry","2014","79","20","9669","9677","10.1021/jo501800g","","","1.54187","CuKα","","","0.0466","","","","0.1197","","","","","","1.054","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030010","8.90134","0.00016","13.2462","0.0003","17.7316","0.0004","84.1372","0.0007","81.9146","0.0007","68.2867","0.0007","1920.21","0.07","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H52 N6 -","- C46 H52 N6 -","- C92 H104 N12 -","2","1","","Takeda, Takashi; Sugihara, Hiroyuki; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic behavior, electrochromism, and two-photon absorption of dicyanomethylenated quinacridone.","The Journal of organic chemistry","2014","79","20","9669","9677","10.1021/jo501800g","","","1.54187","CuKα","","","0.0831","","","","0.2827","","","","","","1.113","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030011","10.5913","0.0007","14.7571","0.001","8.3539","0.0005","90","","99.044","0.003","90","","1289.46","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 N O S2 -","- C15 H9 N O S2 -","- C60 H36 N4 O4 S8 -","4","1","","Varun, Begur Vasanthkumar; Prabhu, Kandikere Ramaiah","Regioselective thiolation of arenes and heteroarenes: C-h functionalization strategy for C-s bond formation.","The Journal of organic chemistry","2014","79","20","9655","9668","10.1021/jo501793q","","","0.71073","MoKα","","0.0692","0.0414","","","0.0976","0.1106","","","","","","1.022","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030012","8.601","0.002","9.794","0.002","13.733","0.003","90","","104.807","0.009","90","","1118.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N O S2 -","- C12 H9 N O S2 -","- C48 H36 N4 O4 S8 -","4","1","","Varun, Begur Vasanthkumar; Prabhu, Kandikere Ramaiah","Regioselective thiolation of arenes and heteroarenes: C-h functionalization strategy for C-s bond formation.","The Journal of organic chemistry","2014","79","20","9655","9668","10.1021/jo501793q","","","0.71073","MoKα","","0.0659","0.0567","","","0.1716","0.1832","","","","","","1.063","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030013","7.6639","0.0012","8.4973","0.0014","11.1966","0.0016","94.77","0.011","102.372","0.009","109.924","0.01","659.83","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C30 H26 N2 O6 S2 -","2","1","","Varun, Begur Vasanthkumar; Prabhu, Kandikere Ramaiah","Regioselective thiolation of arenes and heteroarenes: C-h functionalization strategy for C-s bond formation.","The Journal of organic chemistry","2014","79","20","9655","9668","10.1021/jo501793q","","","0.71073","MoKα","","0.0581","0.0397","","","0.0923","0.1013","","","","","","1.026","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030014","13.108","0.003","24.71","0.005","13.243","0.003","90","","95.99","0.03","90","","4266","1.6","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C57.49 H43.69 Cl1.04 -","- C57.496 H43.704 Cl1.02 -","- C229.984 H174.816 Cl4.08 -","4","1","","Xue, Jing Yang; Ikemoto, Koki; Takahashi, Norihisa; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Cyclo-meta-phenylene Revisited: Nickel-Mediated Synthesis, Molecular Structures, and Device Applications.","The Journal of organic chemistry","2014","79","20","9735","9739","10.1021/jo501903n","","","1.54187","CuKα","","0.0634","0.0623","","","0.1756","0.1769","","","","","","1.1","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030015","12.289","0.003","15.382","0.003","6.0239","0.0012","90","","99.35","0.03","90","","1123.6","0.4","90","0.2","90","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","[6]cyclo-m-phenylene","","","- C36 H24 -","- C36 H24 -","- C72 H48 -","2","0.5","","Xue, Jing Yang; Ikemoto, Koki; Takahashi, Norihisa; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Cyclo-meta-phenylene Revisited: Nickel-Mediated Synthesis, Molecular Structures, and Device Applications.","The Journal of organic chemistry","2014","79","20","9735","9739","10.1021/jo501903n","","","1.54178","CuKα","","0.041","0.0362","","","0.0942","0.0977","","","","","","1.015","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030016","17.55","0.008","17.55","0.008","5.619","0.003","90","","90","","90","","1730.7","1.4","93","","93","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C48.5 H39 O3 -","- C48.5 H39.5 O3 -","- C97 H79 O6 -","2","0.25","","Xue, Jing Yang; Ikemoto, Koki; Takahashi, Norihisa; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Cyclo-meta-phenylene Revisited: Nickel-Mediated Synthesis, Molecular Structures, and Device Applications.","The Journal of organic chemistry","2014","79","20","9735","9739","10.1021/jo501903n","","","1.54187","CuKα","","","0.051","","","","0.1309","","","","","","1.099","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030017","16.2882","0.0018","5.4529","0.0007","22.623","0.003","90","","107.144","0.003","90","","1920","0.4","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","1","","Xue, Jing Yang; Ikemoto, Koki; Takahashi, Norihisa; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Cyclo-meta-phenylene Revisited: Nickel-Mediated Synthesis, Molecular Structures, and Device Applications.","The Journal of organic chemistry","2014","79","20","9735","9739","10.1021/jo501903n","","","1.54187","CuKα","","0.0382","0.0368","","","0.102","0.1042","","","","","","1.026","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030018","16.7629","0.0011","13.5865","0.0008","26.032","0.003","90","","99.125","0.003","90","","5853.7","0.9","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H29.5 N0.5 -","- C43 H29.5 N0.5 -","- C344 H236 N4 -","8","2","","Xue, Jing Yang; Ikemoto, Koki; Takahashi, Norihisa; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Cyclo-meta-phenylene Revisited: Nickel-Mediated Synthesis, Molecular Structures, and Device Applications.","The Journal of organic chemistry","2014","79","20","9735","9739","10.1021/jo501903n","","","1.54187","CuKα","","0.0449","0.043","","","0.1126","0.1155","","","","","","1.059","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4030019","14.4871","0.0017","10.6354","0.0012","11.1892","0.0013","90","","96.788","0.002","90","","1711.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Sharma, Upendra; Park, Yoonsu; Chang, Sukbok","Rh(III)-Catalyzed Traceless Coupling of Quinoline N-Oxides with Internal Diarylalkynes.","The Journal of organic chemistry","2014","79","20","9899","9906","10.1021/jo501995c","","","0.71073","MoKα","","0.0991","0.044","","","0.1004","0.1613","","","","","","0.867","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030020","10.5459","0.0007","11.3676","0.0006","30.188","0.0018","90","","90","0.004","90","","3619","0.4","120","2","120","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C23 H16 Cl N O -","- C23 H16 Cl N O -","- C184 H128 Cl8 N8 O8 -","8","1","","Sharma, Upendra; Park, Yoonsu; Chang, Sukbok","Rh(III)-Catalyzed Traceless Coupling of Quinoline N-Oxides with Internal Diarylalkynes.","The Journal of organic chemistry","2014","79","20","9899","9906","10.1021/jo501995c","","","0.71073","MoKα","","0.1173","0.0673","","","0.1523","0.1906","","","","","","1.079","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030021","14.2581","0.001","11.0348","0.0008","11.2185","0.0008","90","","96.72","0.003","90","","1752.9","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Br N O -","- C23 H16 Br N O -","- C92 H64 Br4 N4 O4 -","4","1","","Sharma, Upendra; Park, Yoonsu; Chang, Sukbok","Rh(III)-Catalyzed Traceless Coupling of Quinoline N-Oxides with Internal Diarylalkynes.","The Journal of organic chemistry","2014","79","20","9899","9906","10.1021/jo501995c","","","0.71073","MoKα","","0.0339","0.0287","","","0.0751","0.0821","","","","","","1.066","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030022","6.6749","0.0003","9.4393","0.0005","15.0974","0.0008","79.626","0.002","85.796","0.003","77.639","0.003","913.39","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 I N O -","- C23 H16 I N O -","- C46 H32 I2 N2 O2 -","2","1","","Sharma, Upendra; Park, Yoonsu; Chang, Sukbok","Rh(III)-Catalyzed Traceless Coupling of Quinoline N-Oxides with Internal Diarylalkynes.","The Journal of organic chemistry","2014","79","20","9899","9906","10.1021/jo501995c","","","0.71073","MoKα","","0.0603","0.0429","","","0.1324","0.1444","","","","","","1.11","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030023","8.923","0.0011","11.9585","0.0015","13.4158","0.0013","95.421","0.011","101.505","0.008","102.728","0.009","1353.9","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16.5 H10 Cl N O3 -","- C16.5 H10 Cl N O3 -","- C66 H40 Cl4 N4 O12 -","4","2","","Lenk, Romaric; Tessier, Arnaud; Lefranc, Pierre; Silvestre, Virginie; Planchat, Aurélien; Blot, Virginie; Dubreuil, Didier; Lebreton, Jacques","1-Oxo-1H-phenalene-2,3-dicarbonitrile Heteroaromatic Scaffold: Revised Structure and Mechanistic Studies.","The Journal of organic chemistry","2014","79","20","9754","9761","10.1021/jo5016932","","x-ray","0.71069","MoKα","","0.2823","0.0903","","","0.1425","0.199","","","","1.73","1.73","1.41","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030024","28.113","0.0005","7.5217","0.0007","7.293","0.002","90","","90","","90","","1542.2","0.4","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H13 N3 O S -","- C19 H13 N3 O S -","- C76 H52 N12 O4 S4 -","4","1","","Lenk, Romaric; Tessier, Arnaud; Lefranc, Pierre; Silvestre, Virginie; Planchat, Aurélien; Blot, Virginie; Dubreuil, Didier; Lebreton, Jacques","1-Oxo-1H-phenalene-2,3-dicarbonitrile Heteroaromatic Scaffold: Revised Structure and Mechanistic Studies.","The Journal of organic chemistry","2014","79","20","9754","9761","10.1021/jo5016932","","x-ray","0.71069","MoKα","","0.1132","0.0635","","","0.0945","0.1032","","","","2.05","2.05","1.86","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030025","3.805","0.0005","19.887","0.002","13.8334","0.0016","90","","93.536","0.014","90","","1044.8","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 N2 O -","- C15 H6 N2 O -","- C60 H24 N8 O4 -","4","1","","Lenk, Romaric; Tessier, Arnaud; Lefranc, Pierre; Silvestre, Virginie; Planchat, Aurélien; Blot, Virginie; Dubreuil, Didier; Lebreton, Jacques","1-Oxo-1H-phenalene-2,3-dicarbonitrile Heteroaromatic Scaffold: Revised Structure and Mechanistic Studies.","The Journal of organic chemistry","2014","79","20","9754","9761","10.1021/jo5016932","","x-ray","0.71069","MoKα","","0.1723","0.1026","","","0.2333","0.2512","","","","3.01","3.01","2.46","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030026","12.8326","0.0002","5.3196","0.0004","7.7207","0.0006","90","","90.073","0.004","90","","527.05","0.06","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H7 N O3 -","- C15 H7 N O3 -","- C30 H14 N2 O6 -","2","1","","Lenk, Romaric; Tessier, Arnaud; Lefranc, Pierre; Silvestre, Virginie; Planchat, Aurélien; Blot, Virginie; Dubreuil, Didier; Lebreton, Jacques","1-Oxo-1H-phenalene-2,3-dicarbonitrile Heteroaromatic Scaffold: Revised Structure and Mechanistic Studies.","The Journal of organic chemistry","2014","79","20","9754","9761","10.1021/jo5016932","","x-ray","0.71069","MoKα","","0.1015","0.0627","","","0.1216","0.1421","","","","1.55","1.55","1.55","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030027","9.7466","0.0007","9.9284","0.0007","18.783","0.0013","90","","90","","90","","1817.6","0.2","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br N O4 -","- C21 H18 Br N O4 -","- C84 H72 Br4 N4 O16 -","4","1","","Kohari, Yoshihito; Okuyama, Yuko; Kwon, Eunsang; Furuyama, Taniyuki; Kobayashi, Nagao; Otuki, Teppei; Kumagai, Jun; Seki, Chigusa; Uwai, Koji; Dai, Gang; Iwasa, Tatsuo; Nakano, Hiroto","Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines with Aldehydes Using β-Amino Alcohol Organocatalyst.","The Journal of organic chemistry","2014","79","20","9500","9511","10.1021/jo501433c","","","0.71073","MoKα","","0.0348","0.0289","","","0.0586","0.0601","","","","","","0.988","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030028","6.283","0.011","7.551","0.013","8.088","0.013","93.44","0.018","106.67","0.016","109.007","0.016","342.5","1","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C15 H14 Br N O4 -","- C15 H14 Br N O4 -","- C15 H14 Br N O4 -","1","1","","Kohari, Yoshihito; Okuyama, Yuko; Kwon, Eunsang; Furuyama, Taniyuki; Kobayashi, Nagao; Otuki, Teppei; Kumagai, Jun; Seki, Chigusa; Uwai, Koji; Dai, Gang; Iwasa, Tatsuo; Nakano, Hiroto","Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines with Aldehydes Using β-Amino Alcohol Organocatalyst.","The Journal of organic chemistry","2014","79","20","9500","9511","10.1021/jo501433c","","","0.71075","MoKα","","","0.0283","","","","0.0647","","","","","","0.814","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030029","5.87321","0.0001","16.3775","0.0003","19.4994","0.0003","90","","96.9849","0.0016","90","","1861.7","0.06","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N4 O3 -","- C23 H18 N4 O3 -","- C92 H72 N16 O12 -","4","1","","Panmand, Deepak S.; Jishkariani, Davit; Hall, C. Dennis; Steel, Peter J.; Asiri, Abdullah M.; Katritzky, Alan R.","Synthesis and Direct C2 Functionalization of Imidazolium and 1,2,4-Triazolium N-Imides.","The Journal of organic chemistry","2014","79","21","10593","","10.1021/jo501746u","","","1.54184","CuKα","","0.0468","0.0409","","","0.1077","0.1141","","","","","","1.027","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030030","7.8812","0.0003","9.817","0.0003","11.9498","0.0004","95.127","0.003","105.452","0.003","99.544","0.003","870.08","0.05","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C42 H38 N6 O6 -","2","1","","Panmand, Deepak S.; Jishkariani, Davit; Hall, C. Dennis; Steel, Peter J.; Asiri, Abdullah M.; Katritzky, Alan R.","Synthesis and Direct C2 Functionalization of Imidazolium and 1,2,4-Triazolium N-Imides.","The Journal of organic chemistry","2014","79","21","10593","","10.1021/jo501746u","","","1.54184","CuKα","","0.0436","0.0419","","","0.1172","0.1191","","","","","","0.992","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030031","8.2888","0.0004","10.3643","0.0005","10.9122","0.0006","91.612","0.004","100.785","0.004","102.962","0.004","895.01","0.08","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N3 O -","- C23 H19 N3 O -","- C46 H38 N6 O2 -","2","1","","Panmand, Deepak S.; Jishkariani, Davit; Hall, C. Dennis; Steel, Peter J.; Asiri, Abdullah M.; Katritzky, Alan R.","Synthesis and Direct C2 Functionalization of Imidazolium and 1,2,4-Triazolium N-Imides.","The Journal of organic chemistry","2014","79","21","10593","","10.1021/jo501746u","","","1.54184","CuKα","","0.0493","0.0422","","","0.1116","0.1193","","","","","","0.992","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030032","11.588","0.0015","11.373","0.0016","16.839","0.003","90","","110.105","0.006","90","","2084","0.6","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H20.38 B Cl2.63 F2 N2 O4 -","- C19 H20.3748 B Cl2.6252 F2 N2 O4 -","- C76 H81.4992 B4 Cl10.5008 F8 N8 O16 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0505","0.0374","","","0.0903","0.0974","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030033","5.5404","0.0002","15.8951","0.0006","21.7416","0.0009","90","","94.046","0.002","90","","1909.91","0.13","100","0.5","100","0.5","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H21.84 B Cl1.16 F2 N2 O4 -","- C19 H21.838 B Cl1.162 F2 N2 O4 -","- C76 H87.352 B4 Cl4.648 F8 N8 O16 -","4","0.5","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0624","0.0517","","","0.14","0.149","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030034","10.812","0.0008","6.0826","0.0005","43.264","0.003","90","","91.017","0.004","90","","2844.8","0.4","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 B F2 N2 O4 S3 -","- C31 H29 B F2 N2 O4 S3 -","- C124 H116 B4 F8 N8 O16 S12 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","1.54184","CuKα","","0.1054","0.1003","","","0.2233","0.2242","","","","","","2.99","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030035","10.7198","0.0002","12.8475","0.0003","14.5759","0.0004","88.5036","0.0011","76.5121","0.001","74.3733","0.0011","1878.47","0.08","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C34 H47 B F2 N2 O4 Si3 -","- C34 H47 B F2 N2 O4 Si3 -","- C68 H94 B2 F4 N4 O8 Si6 -","2","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0657","0.0467","","","0.1203","0.1312","","","","","","1.017","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030036","11.9869","0.0009","9.9485","0.0007","20.9771","0.0015","90","","104.362","0.005","90","","2423.4","0.3","100","0.5","100","0.5","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C23 H23 B Cl2 F2 N2 O4 S -","- C23 H23 B Cl2 F2 N2 O4 S -","- C92 H92 B4 Cl8 F8 N8 O16 S4 -","4","2","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","1.54184","CuKα","","0.074","0.064","","","0.1704","0.1804","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030037","10.4141","0.0003","21.2135","0.0005","22.6166","0.0006","90","","97.897","0.001","90","","4949.1","0.2","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 B Cl2 F2 N2 O4 -","- C25 H25 B Cl2 F2 N2 O4 -","- C200 H200 B8 Cl16 F16 N16 O32 -","8","2","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0612","0.0381","","","0.0863","0.0962","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030038","12.2118","0.0006","11.8622","0.0005","19.9913","0.001","90","","106.216","0.002","90","","2780.7","0.2","100","0.5","100","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 B Cl2 F2 N2 O4 Si -","- C24 H29 B Cl2 F2 N2 O4 Si -","- C96 H116 B4 Cl8 F8 N8 O16 Si4 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0607","0.0433","","","0.1059","0.117","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030039","10.3477","0.0003","11.8529","0.0004","15.2611","0.0004","89.11","0.003","71.03","0.003","81.804","0.002","1751.09","0.1","100","0.5","100","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C33 H41 B F2 N2 O4 S Si2 -","- C33 H41 B F2 N2 O4 S Si2 -","- C66 H82 B2 F4 N4 O8 S2 Si4 -","2","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0716","0.0476","","","0.1105","0.1225","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030040","10.81","0.0008","6.092","0.0004","44.021","0.003","90","","90.172","0.004","90","","2899","0.3","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 B F2 N2 O4 S2 -","- C33 H31 B F2 N2 O4 S2 -","- C132 H124 B4 F8 N8 O16 S8 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","1.54184","CuKα","","0.0536","0.0479","","","0.1209","0.1284","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030041","10.824","0.002","12.553","0.003","14.516","0.002","106.924","0.013","109.773","0.012","94.332","0.012","1742.2","0.6","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C35 H43 B F2 N2 O4 Si2 -","- C35 H43 B F2 N2 O4 Si2 -","- C70 H86 B2 F4 N4 O8 Si4 -","2","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.1181","0.0545","","","0.1048","0.126","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030042","23.8106","0.0019","11.7399","0.0009","11.2597","0.0009","90","","101.193","0.004","90","","3087.6","0.4","100","0.5","100","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 B F2 N2 O4 S2 Si -","- C32 H35 B F2 N2 O4 S2 Si -","- C128 H140 B4 F8 N8 O16 S8 Si4 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0486","0.0345","","","0.0783","0.0849","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030043","12.1354","0.0005","13.2882","0.0006","21.2741","0.001","76.767","0.003","88.504","0.002","78.66","0.003","3273.7","0.3","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C36 H39 B F2 N2 O4 Si -","- C36 H39 B F2 N2 O4 Si -","- C144 H156 B4 F8 N8 O16 Si4 -","4","2","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","0.71073","MoKα","","0.0741","0.0481","","","0.1143","0.1279","","","","","","1.021","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030044","12.9614","0.0008","11.0262","0.0006","23.1458","0.0014","90","","104.62","0.003","90","","3200.8","0.3","100","0.5","100","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 B Cl F2 N2 O4 Si2 -","- C29 H38 B Cl F2 N2 O4 Si2 -","- C116 H152 B4 Cl4 F8 N8 O16 Si8 -","4","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","1.54184","CuKα","","0.0616","0.0516","","","0.1379","0.1477","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030045","10.6213","0.0007","13.0001","0.0009","13.2633","0.0011","72.589","0.006","79.89","0.006","84.041","0.006","1717.8","0.2","100","0.5","100","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C33 H41 B F2 N2 O4 S Si2 -","- C33 H41 B F2 N2 O4 S Si2 -","- C66 H82 B2 F4 N4 O8 S2 Si4 -","2","1","","Wang, Haijun; Fronczek, Frank R.; Vicente, M Graça H; Smith, Kevin M.","Functionalization of 3,5,8-Trichlorinated BODIPY Dyes.","The Journal of organic chemistry","2014","79","21","10342","","10.1021/jo501969z","","","1.54184","CuKα","","0.2045","0.0758","","","0.1522","0.2031","","","","","","0.96","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4030046","16.5879","0.0018","9.039","0.001","16.4332","0.0017","90","","117.757","0.005","90","","2180.4","0.4","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C30 H20 O2 -","- C30 H20 O2 -","- C120 H80 O8 -","4","1","","Chen, Zhiyuan; Jia, Xuegong; Huang, Jiapian; Yuan, Jianjun","Platinum-Catalyzed Tandem Cycloisomerization Reaction of Benzoendiynyl Esters: Regioselective Long-Range 1,5-Acyl Migration.","The Journal of organic chemistry","2014","79","21","10674","","10.1021/jo5020245","","","0.71073","MoKα","","0.0488","0.0412","","","0.124","0.1369","","","","","","1.001","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030047","7.0302","0.0008","13.7455","0.0015","20.332","0.002","90","","99.113","0.005","90","","1940","0.4","165","","165","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Matlock, Johnathan V.; Fritz, Sven P.; Harrison, Stephen A.; Coe, Diane M.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Synthesis of α-Substituted Vinylsulfonium Salts and Their Application as Annulation Reagents in the Formation of Epoxide- and Cyclopropane-Fused Heterocycles.","The Journal of organic chemistry","2014","79","21","10226","","10.1021/jo501885z","","","1.54178","CuKα","","0.0483","0.0451","","","0.1236","0.1269","","","","","","1.051","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030048","21.552","0.003","11.0789","0.0017","15.085","0.002","90","","90","","90","","3601.9","0.9","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C160 H168 N8 O24 S8 -","8","1","","Matlock, Johnathan V.; Fritz, Sven P.; Harrison, Stephen A.; Coe, Diane M.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Synthesis of α-Substituted Vinylsulfonium Salts and Their Application as Annulation Reagents in the Formation of Epoxide- and Cyclopropane-Fused Heterocycles.","The Journal of organic chemistry","2014","79","21","10226","","10.1021/jo501885z","","x-ray","1.54178","CuKα","","0.0426","0.0412","","","0.113","0.1151","","","","","","1.074","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030049","9.5938","0.0004","36.4391","0.0015","15.7075","0.0007","90","","100.232","0.003","90","","5403.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 B S -","- C34 H33 B S -","- C272 H264 B8 S8 -","8","2","","Matlock, Johnathan V.; Fritz, Sven P.; Harrison, Stephen A.; Coe, Diane M.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Synthesis of α-Substituted Vinylsulfonium Salts and Their Application as Annulation Reagents in the Formation of Epoxide- and Cyclopropane-Fused Heterocycles.","The Journal of organic chemistry","2014","79","21","10226","","10.1021/jo501885z","","","0.71073","MoKα","","0.1537","0.1137","","","0.226","0.2449","","","","","","1.122","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030050","22.992","0.003","5.808","0.0007","14.7738","0.0019","90","","92.558","0.01","90","","1970.9","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Matlock, Johnathan V.; Fritz, Sven P.; Harrison, Stephen A.; Coe, Diane M.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Synthesis of α-Substituted Vinylsulfonium Salts and Their Application as Annulation Reagents in the Formation of Epoxide- and Cyclopropane-Fused Heterocycles.","The Journal of organic chemistry","2014","79","21","10226","","10.1021/jo501885z","","","0.71073","MoKα","","0.1428","0.081","","","0.1767","0.2066","","","","","","1.044","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030051","37.394","0.002","10.6766","0.0006","18.4173","0.001","90","","101.102","0.0017","90","","7215.3","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ClPhSi(ON[Ph]O)","2,4,8,10-Tetra-tert-butyl-6-chloro-6,12-diphenyl- 1H-dibenzo[d,g][1,3,6,2]dioxazasilocine","","- C40 H50 Cl N O2 Si -","- C40 H50 Cl N O2 Si -","- C320 H400 Cl8 N8 O16 Si8 -","8","1","","Shekar, Sukesh; Brown, Seth N.","Mechanism and selectivity of methyl and phenyl migrations in hypervalent silylated iminoquinones.","The Journal of organic chemistry","2014","79","24","12047","12055","10.1021/jo501888r","","","0.71073","MoKα","","0.0414","0.0342","","","0.0938","0.1041","","","","","","1.051","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030052","7.3074","0.001","11.6936","0.0017","17.175","0.002","90","","99.165","0.005","90","","1448.9","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H46 N2 O Sn -","- C30 H46 N2 O Sn -","- C60 H92 N4 O2 Sn2 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.","General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.","The Journal of organic chemistry","2014","79","21","10030","","10.1021/jo5016163","","","0.71073","MoKα","","0.0774","0.0616","","","0.1457","0.1541","","","","","","1.088","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030053","8.665","0.003","8.399","0.002","10.277","0.003","90","","93.321","0.015","90","","746.7","0.4","103","1","103","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C38 H40 N4 O2 -","2","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.","General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.","The Journal of organic chemistry","2014","79","21","10030","","10.1021/jo5016163","","","0.71073","MoKα","","0.0465","0.0396","","","0.0921","0.0966","","","","","","1.039","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030054","7.7111","0.0016","10.5325","0.0019","19.852","0.004","90","","90","","90","","1612.3","0.5","174","2","174","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.","General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.","The Journal of organic chemistry","2014","79","21","10030","","10.1021/jo5016163","","","0.71073","MoKα","","0.0406","0.0369","","","0.0958","0.0996","","","","","","1.044","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030055","9.1608","0.0011","11.5859","0.0014","34.32","0.004","90","","90","","90","","3642.6","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H56 N2 O Si Sn -","- C34 H54.547 N2 O Si Sn -","- C136 H218.188 N8 O4 Si4 Sn4 -","4","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.","General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.","The Journal of organic chemistry","2014","79","21","10030","","10.1021/jo5016163","","","0.71073","MoKα","","0.0661","0.0565","","","0.13","0.1357","","","","","","1.09","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030056","9.6716","0.0003","10.1843","0.0003","10.2753","0.0004","76.912","0.002","74.616","0.002","66.048","0.002","883.67","0.05","296","2","293","2","","","","","","","","4","P -1","-P 1","2","6-methyl-4-phenyl-3-(phenylselanyl)-2H-chrome","","","- C22 H16 O2 Se -","- C22 H16 O2 Se -","- C44 H32 O4 Se2 -","2","1","","Mantovani, Anderson C.; Goulart, Tales A. C.; Back, Davi F.; Menezes, Paulo Henrique; Zeni, Gilson","Iron(III) Chloride and Diorganyl Diselenides-Mediated 6-endo-dig Cyclization of Arylpropiolates and Arylpropiolamides Leading to 3-Organoselenyl-2H-coumarins and 3-Organoselenyl-quinolinones.","The Journal of organic chemistry","2014","79","21","10526","","10.1021/jo502199q","","","0.71073","MoKα","","0.0425","0.0303","","","0.071","0.0761","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030057","9.3651","0.0005","9.5625","0.0005","11.0503","0.0006","71.447","0.002","67.341","0.003","65.481","0.002","815.96","0.08","103","2","103","2","","","","","","","","2","P -1","-P 1","2","","","","- C25 H18 -","- C25 H18 -","- C50 H36 -","2","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0689","0.0527","","","0.1391","0.1573","","","","","","1.049","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030058","9.3084","0.0004","9.4005","0.0004","10.9628","0.0005","73.841","0.003","65.703","0.003","68.117","0.003","802.42","0.07","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H16 S -","- C23 H16 S -","- C46 H32 S2 -","2","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0745","0.0509","","","0.1247","0.1396","","","","","","1.037","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030059","8.0397","0.0002","17.8239","0.0006","15.1921","0.0005","90","","104.068","0.0013","90","","2111.71","0.11","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 O2 -","- C27 H28 O2 -","- C108 H112 O8 -","4","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.063","0.0477","","","0.125","0.1438","","","","","","1.092","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030060","10.4017","0.0006","9.8934","0.0005","20.6445","0.0012","90","","100.506","0.002","90","","2088.9","0.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21.3 F O2.15 -","- C27 H21.3 F O2.15 -","- C108 H85.2 F4 O8.6 -","4","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0683","0.049","","","0.1279","0.1486","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030061","7.7829","0.0004","11.0201","0.0006","13.5855","0.0008","66.136","0.003","76.156","0.003","73.462","0.003","1011.22","0.1","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 O2 -","- C27 H22 O2 -","- C54 H44 O4 -","2","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0836","0.0586","","","0.1592","0.1867","","","","","","1.078","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030062","7.576","0.0005","18.9865","0.0012","25.0328","0.0016","90","","90","","90","","3600.8","0.4","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C192 H176 O16 -","8","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0805","0.0571","","","0.1412","0.1551","","","","","","1.036","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030063","9.296","0.0005","9.5612","0.0006","11.2173","0.0006","74.68","0.003","69.564","0.003","65.582","0.004","842.25","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H17 F -","- C25 H17 F -","- C50 H34 F2 -","2","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0677","0.0492","","","0.1293","0.148","","","","","","1.083","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030064","13.192","0.0005","15.3847","0.0006","19.337","0.0008","90","","101.634","0.0014","90","","3843.9","0.3","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 -","- C29 H20 -","- C232 H160 -","8","2","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.1316","0.0621","","","0.1575","0.2071","","","","","","1.041","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030065","11.993","0.003","17.981","0.004","22.586","0.005","90","","90","","90","","4871","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21.5 F6 N3.5 P Pd -","- C23 H21.5 F6 N3.5 P Pd -","- C184 H172 F48 N28 P8 Pd8 -","8","2","","Huang, Jian-Qiang; Ding, Chang-Hua; Hou, Xue-Long","Pyridine-NHC: Effective Ligand in Pd-Catalyzed Cyclopropanation of Esters with Substituted Allyl Carbonates.","The Journal of organic chemistry","2014","79","24","12010","12017","10.1021/jo5018712","","","0.71073","MoKα","","0.0973","0.0599","","","0.1402","0.1691","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030066","9.4517","0.0012","23.239","0.003","9.965","0.0012","90","","116.056","0.003","90","","1966.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Br N O -","- C22 H24 Br N O -","- C88 H96 Br4 N4 O4 -","4","1","","Huang, Jian-Qiang; Ding, Chang-Hua; Hou, Xue-Long","Pyridine-NHC: Effective Ligand in Pd-Catalyzed Cyclopropanation of Esters with Substituted Allyl Carbonates.","The Journal of organic chemistry","2014","79","24","12010","12017","10.1021/jo5018712","","","0.71073","MoKα","","0.0855","0.0591","","","0.148","0.1639","","","","","","1.043","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030067","11.469","0.002","17.517","0.004","9.5531","0.0019","90","","107.85","0.03","90","","1826.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl N2 -","- C22 H17 Cl N2 -","- C88 H68 Cl4 N8 -","4","1","","Zhang, Xinting; Kang, Jinfeng; Niu, Pengfei; Wu, Jie; Yu, Wenquan; Chang, Junbiao","I2-Mediated Oxidative C-N Bond Formation for Metal-Free One-Pot Synthesis of Di-, Tri-, and Tetrasubstituted Pyrazoles from α,β-Unsaturated Aldehydes/Ketones and Hydrazines.","The Journal of organic chemistry","2014","79","21","10170","","10.1021/jo501844x","","","0.71073","MoKα","","0.1155","0.0889","","","0.1876","0.2071","","","","","","1.205","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030068","6.9756","0.0014","9.91","0.002","10.42","0.002","113.94","0.03","92.53","0.03","92.22","0.03","656.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H11 N3 -","- C16 H11 N3 -","- C32 H22 N6 -","2","1","","Zhang, Xinting; Kang, Jinfeng; Niu, Pengfei; Wu, Jie; Yu, Wenquan; Chang, Junbiao","I2-Mediated Oxidative C-N Bond Formation for Metal-Free One-Pot Synthesis of Di-, Tri-, and Tetrasubstituted Pyrazoles from α,β-Unsaturated Aldehydes/Ketones and Hydrazines.","The Journal of organic chemistry","2014","79","21","10170","","10.1021/jo501844x","","","0.71073","MoKα","","0.0745","0.0596","","","0.1584","0.1771","","","","","","1.105","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030069","8.2599","0.0017","15.387","0.003","9.958","0.002","90","","102.35","0.03","90","","1236.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F3 N O -","- C13 H14 F3 N O -","- C52 H56 F12 N4 O4 -","4","1","","Lin, Qing-Yu; Xu, Xiu-Hua; Qing, Feng-Ling","Chemo-, Regio-, and Stereoselective Trifluoromethylation of Styrenes via Visible Light-Driven Single-Electron Transfer (SET) and Triplet-Triplet Energy Transfer (TTET) Processes.","The Journal of organic chemistry","2014","79","21","10434","","10.1021/jo502040t","","","1.54178","CuKα","","0.057","0.055","","","0.1642","0.1671","","","","","","1.071","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030070","14.0334","0.0009","10.0587","0.0007","23.4532","0.0015","90","","90","","90","","3310.6","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O2 S -","- C19 H19 N O2 S -","- C152 H152 N8 O16 S8 -","8","1","","Huang, Fei; Wu, Ping; Wang, Liandi; Chen, Jiping; Sun, Chenglin; Yu, Zhengkun","Copper-Mediated Intramolecular Oxidative C-H/C-H Cross-Coupling of α-Oxo Ketene N,S-Acetals for Indole Synthesis.","The Journal of organic chemistry","2014","79","21","10553","","10.1021/jo5014542","","","0.71073","MoKα","","0.0476","0.0365","","","0.0975","0.1043","","","","","","1.056","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030071","14.094","0.003","7.3935","0.0015","12.576","0.003","90","","90.653","0.004","90","","1310.4","0.5","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Huang, Fei; Wu, Ping; Wang, Liandi; Chen, Jiping; Sun, Chenglin; Yu, Zhengkun","Copper-Mediated Intramolecular Oxidative C-H/C-H Cross-Coupling of α-Oxo Ketene N,S-Acetals for Indole Synthesis.","The Journal of organic chemistry","2014","79","21","10553","","10.1021/jo5014542","","","0.71073","MoKα","","0.0987","0.0539","","","0.1076","0.1207","","","","","","1.155","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030072","5.262","0.006","16.416","0.019","13.074","0.015","90","","99.99","0.02","90","","1112","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N O S -","- C12 H13 N O S -","- C48 H52 N4 O4 S4 -","4","1","","Huang, Fei; Wu, Ping; Wang, Liandi; Chen, Jiping; Sun, Chenglin; Yu, Zhengkun","Copper-Mediated Intramolecular Oxidative C-H/C-H Cross-Coupling of α-Oxo Ketene N,S-Acetals for Indole Synthesis.","The Journal of organic chemistry","2014","79","21","10553","","10.1021/jo5014542","","","0.71073","MoKα","","0.0598","0.0537","","","0.1344","0.1403","","","","","","1.067","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030073","10.9164","0.0005","9.6918","0.0005","24.1102","0.0014","90","","90","","90","","2550.8","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H12 N2 S -","- C16 H12 N2 S -","- C128 H96 N16 S8 -","8","2","","Omar, Mohamed A.; Frey, Wolfgang; Conrad, Jürgen; Beifuss, Uwe","Transition-Metal-Free Synthesis of Imidazo[2,1-b]thiazoles and Thiazolo[3,2-a]benzimidazoles via an S-Propargylation/5-exo-dig Cyclization/Isomerization Sequence Using Propargyl Tosylates as Substrates.","The Journal of organic chemistry","2014","79","21","10367","","10.1021/jo501980w","","","0.71073","MoKα","","0.052","0.0431","","","0.0939","0.097","","","","","","1.052","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030074","13.9906","0.0007","13.308","0.0006","20.9613","0.001","90","","97.6003","0.0007","90","","3868.4","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C90 H98 N2 Si2 -","- C90 H98 N2 Si2 -","- C180 H196 N4 Si4 -","2","1","","Ramsaywack, Sharwatie; Karaca, Sila; Gholami, Mojtaba; Murray, Adrian H.; Hampel, Frank; McDonald, Robert; Elmaci, Nuran; Lüthi, Hans Peter; Tykwinski, Rik R.","Donor- and/or Acceptor-Substituted Expanded Radialenes: Theory, Synthesis, and Properties.","The Journal of organic chemistry","2014","79","21","10013","","10.1021/jo5016085","","","0.71073","MoKα","","0.0485","0.0362","","","0.0782","0.0841","","","","","","1.016","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030075","14.476","0.0004","15.868","0.0004","16.718","0.003","77.232","0.002","81.703","0.002","67.463","0.001","3451.7","0.6","173","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78.5 H71 Cl N2 O4 Si2 -","- C78.5 H71 Cl N2 O4 Si2 -","- C157 H142 Cl2 N4 O8 Si4 -","2","1","","Ramsaywack, Sharwatie; Karaca, Sila; Gholami, Mojtaba; Murray, Adrian H.; Hampel, Frank; McDonald, Robert; Elmaci, Nuran; Lüthi, Hans Peter; Tykwinski, Rik R.","Donor- and/or Acceptor-Substituted Expanded Radialenes: Theory, Synthesis, and Properties.","The Journal of organic chemistry","2014","79","21","10013","","10.1021/jo5016085","","","0.71073","MoKα","","0.1178","0.0851","","","0.2266","0.2569","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030076","13.1252","0.0003","32.368","0.0008","41.4449","0.001","90","","95.42","0.001","90","","17528.6","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C205 H218 B12 Cl2 N12 -","- C205 H218 B12 Cl2 N12 -","- C820 H872 B48 Cl8 N48 -","4","1","","Chang, Yung-Yu; Ho, Tse-Lok; Chung, Wen-Sheng","Deformative Transition of the Menschutkin Reaction and Helical Atropisomers in a Congested Polyheterocyclic System.","The Journal of organic chemistry","2014","79","21","9970","","10.1021/jo501815y","","","0.71073","MoKα","","0.154","0.092","","","0.2742","0.3106","","","","","","0.987","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030077","12.9576","0.0008","14.6324","0.0009","14.6459","0.0016","99.246","0.004","102.984","0.004","113.991","0.003","2371","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 N2 -","- C34 H28 N2 -","- C136 H112 N8 -","4","2","","Chang, Yung-Yu; Ho, Tse-Lok; Chung, Wen-Sheng","Deformative Transition of the Menschutkin Reaction and Helical Atropisomers in a Congested Polyheterocyclic System.","The Journal of organic chemistry","2014","79","21","9970","","10.1021/jo501815y","","","0.71073","MoKα","","0.0731","0.0489","","","0.1201","0.1393","","","","","","1.028","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030078","7.5251","0.0001","12.265","0.0002","14.723","0.0003","81.826","0.001","83.455","0.001","83.827","0.001","1330.52","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H31 I N2 -","- C35 H31 I N2 -","- C70 H62 I2 N4 -","2","1","","Chang, Yung-Yu; Ho, Tse-Lok; Chung, Wen-Sheng","Deformative Transition of the Menschutkin Reaction and Helical Atropisomers in a Congested Polyheterocyclic System.","The Journal of organic chemistry","2014","79","21","9970","","10.1021/jo501815y","","","0.71073","MoKα","","0.0375","0.0323","","","0.0804","0.0884","","","","","","1.085","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030079","8.271","0.0005","12.9503","0.0008","24.7661","0.0014","90","","99.143","0.004","90","","2619","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 B F4 N2 -","- C34 H29 B F4 N2 -","- C136 H116 B4 F16 N8 -","4","1","","Chang, Yung-Yu; Ho, Tse-Lok; Chung, Wen-Sheng","Deformative Transition of the Menschutkin Reaction and Helical Atropisomers in a Congested Polyheterocyclic System.","The Journal of organic chemistry","2014","79","21","9970","","10.1021/jo501815y","","","0.71073","MoKα","","0.1042","0.057","","","0.1252","0.1649","","","","","","1.039","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030080","6.6294","0.0001","9.4896","0.0001","16.8567","0.0002","93.802","0.001","98.632","0.001","100.149","0.001","1027.35","0.02","293","","293","","","","","","","","synthesized by the authors, see text","6","P -1","-P 1","2","","","","- C16 H30 N2 O3 S Si -","- C16 H30 N2 O3 S Si -","- C32 H60 N4 O6 S2 Si2 -","2","1","","Prévost, Michel; Dostie, Starr; Waltz, Marie-Ève; Guindon, Yvan","Investigation of Diastereoselective Acyclic α-Alkoxydithioacetal Substitutions Involving Thiacarbenium Intermediates.","The Journal of organic chemistry","2014","79","21","10504","","10.1021/jo502181a","","","1.54178","CuKα","","0.0682","0.0643","","0.2033","","0.1991","","","1.088","","","1.126","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030081","5.5811","0.0002","21.9839","0.0006","10.434","0.0003","90","","101.401","0.0014","90","","1254.93","0.07","200","2","200","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Prévost, Michel; Dostie, Starr; Waltz, Marie-Ève; Guindon, Yvan","Investigation of Diastereoselective Acyclic α-Alkoxydithioacetal Substitutions Involving Thiacarbenium Intermediates.","The Journal of organic chemistry","2014","79","21","10504","","10.1021/jo502181a","","","1.54178","CuKα","","0.0621","0.0363","","","0.0825","0.0905","","","","","","1.004","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030082","10.911","0.002","15.095","0.003","11.664","0.002","90","","113.3","0.03","90","","1764.4","0.7","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 I N O2 S -","- C18 H20 I N O2 S -","- C72 H80 I4 N4 O8 S4 -","4","1","","Liu, Gong-Qing; Li, Yue-Ming","Regioselective (Diacetoxyiodo)benzene-Promoted Halocyclization of Unfunctionalized Olefins.","The Journal of organic chemistry","2014","79","21","10094","","10.1021/jo501739j","","","0.71073","MoKα","","0.0421","0.0307","","","0.0738","0.0809","","","","","","0.973","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030083","9.0374","0.0005","9.8325","0.0007","11.6485","0.0006","65.718","0.006","83.584","0.004","73.059","0.005","902.53","0.11","180","0.1","180","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 N4 -","- C19 H26 N4 -","- C38 H52 N8 -","2","1","","Xu, Ling; Wang, Yu-Chen; Ma, Wangyang; Zhang, Wen-Xiong; Xi, Zhenfeng","Mechanistic Insights into N-N Bond Cleavage in Catalytic Guanylation Reactions between 1,2-Diarylhydrazines and Carbodiimides.","The Journal of organic chemistry","2014","79","24","12004","12009","10.1021/jo501865b","","","0.71073","MoKα","","0.0723","0.0536","","","0.135","0.1508","","","","","","1.053","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030084","13.6356","0.0006","13.6874","0.0004","14.4188","0.0004","90.008","0.003","109.937","0.003","92.581","0.003","2526.87","0.16","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H71 Li3 N6 O3 -","- C54 H71 Li3 N6 O3 -","- C108 H142 Li6 N12 O6 -","2","1","","Xu, Ling; Wang, Yu-Chen; Ma, Wangyang; Zhang, Wen-Xiong; Xi, Zhenfeng","Mechanistic Insights into N-N Bond Cleavage in Catalytic Guanylation Reactions between 1,2-Diarylhydrazines and Carbodiimides.","The Journal of organic chemistry","2014","79","24","12004","12009","10.1021/jo501865b","","","0.71073","MoKα","","0.0742","0.047","","","0.1026","0.1165","","","","","","1.039","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030085","26.0414","0.0014","12.2934","0.0006","18.2926","0.0009","90","","128.911","0.005","90","","4556.8","0.5","100.02","0.15","100.02","0.15","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H66 Li2 N8 O2 -","- C46 H66 Li2 N8 O2 -","- C184 H264 Li8 N32 O8 -","4","0.5","","Xu, Ling; Wang, Yu-Chen; Ma, Wangyang; Zhang, Wen-Xiong; Xi, Zhenfeng","Mechanistic Insights into N-N Bond Cleavage in Catalytic Guanylation Reactions between 1,2-Diarylhydrazines and Carbodiimides.","The Journal of organic chemistry","2014","79","24","12004","12009","10.1021/jo501865b","","","0.71073","MoKα","","0.064","0.0449","","","0.1024","0.1132","","","","","","1.033","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030086","9.57","0.002","14.501","0.003","16.059","0.003","115.824","0.008","92.346","0.01","93.969","0.01","1994.9","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-(2'-p-bromophenyl-2'-hydroxyiminoethyl)-5,5'-diethyldipyrromethane","","- C42 H43 Br2 N6 O2 -","- C42 H43 Br2 N6 O2 -","- C84 H86 Br4 N12 O4 -","2","1","","Nunes, Sandra C. C.; Lopes, Susana M. M.; Gomes, Clara S. B.; Lemos, Américo; Pais, Alberto A. C. C.; Pinho E Melo, Teresa M V D","Reactions of Nitrosoalkenes with Dipyrromethanes and Pyrroles: Insight into the Mechanistic Pathway.","The Journal of organic chemistry","2014","79","21","10456","","10.1021/jo502095k","","x-ray","0.71073","MoKα","","0.1498","0.0562","","","0.0995","0.1297","","","","","","0.946","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030087","7.5819","0.0012","11.1103","0.0017","16.53","0.003","90","","95.621","0.01","90","","1385.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-bromophenyl)-3a,5-dimethyl- -3,3a,6,6a-tetrahydropyrrolo[3,2-b]pyrrole 1-oxide","","- C14 H17 Br N2 O2 -","- C14 H17 Br N2 O2 -","- C56 H68 Br4 N8 O8 -","4","1","","Nunes, Sandra C. C.; Lopes, Susana M. M.; Gomes, Clara S. B.; Lemos, Américo; Pais, Alberto A. C. C.; Pinho E Melo, Teresa M V D","Reactions of Nitrosoalkenes with Dipyrromethanes and Pyrroles: Insight into the Mechanistic Pathway.","The Journal of organic chemistry","2014","79","21","10456","","10.1021/jo502095k","","x-ray","0.71073","MoKα","","0.1417","0.0608","","","0.0813","0.0915","","","","","","1.005","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030088","9.09","0.002","10.774","0.003","21.624","0.005","90","","90","","90","","2117.8","0.9","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N3 O2 -","- C23 H27 N3 O2 -","- C92 H108 N12 O8 -","4","1","","Zaretsky, Serge; Adachi, Shinya; Rotstein, Benjamin H.; Hickey, Jennifer L.; Scully, Conor C. G.; St Denis, Jeffrey D.; Courtemanche, Rebecca; Yu, Joy C. Y.; Chung, Benjamin K. W.; Yudin, Andrei K.","Stereocontrolled Disruption of the Ugi Reaction toward the Production of Chiral Piperazinones: Substrate Scope and Process Development.","The Journal of organic chemistry","2014","79","21","9948","","10.1021/jo5018316","","","1.54178","CuKα","","0.029","0.0274","","","0.0692","0.0705","","","","","","1.073","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030089","9.8003","0.0005","17.4561","0.0009","10.0164","0.0005","90","","96.368","0.002","90","","1702.98","0.15","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 N3 O2 -","- C16 H27 N3 O2 -","- C64 H108 N12 O8 -","4","2","","Zaretsky, Serge; Adachi, Shinya; Rotstein, Benjamin H.; Hickey, Jennifer L.; Scully, Conor C. G.; St Denis, Jeffrey D.; Courtemanche, Rebecca; Yu, Joy C. Y.; Chung, Benjamin K. W.; Yudin, Andrei K.","Stereocontrolled Disruption of the Ugi Reaction toward the Production of Chiral Piperazinones: Substrate Scope and Process Development.","The Journal of organic chemistry","2014","79","21","9948","","10.1021/jo5018316","","","1.54178","CuKα","","0.0279","0.0276","","","0.0688","0.069","","","","","","1.03","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030090","6.3049","0.0004","7.6994","0.0005","14.4602","0.0008","102.437","0.003","91.851","0.003","90.341","0.003","685.07","0.07","147","2","147","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H35 N3 O2 -","- C34 H35 N3 O2 -","- C34 H35 N3 O2 -","1","1","","Zaretsky, Serge; Adachi, Shinya; Rotstein, Benjamin H.; Hickey, Jennifer L.; Scully, Conor C. G.; St Denis, Jeffrey D.; Courtemanche, Rebecca; Yu, Joy C. Y.; Chung, Benjamin K. W.; Yudin, Andrei K.","Stereocontrolled Disruption of the Ugi Reaction toward the Production of Chiral Piperazinones: Substrate Scope and Process Development.","The Journal of organic chemistry","2014","79","21","9948","","10.1021/jo5018316","","","1.54178","CuKα","","0.0303","0.0301","","","0.0775","0.0776","","","","","","1.072","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030091","9.0471","0.0013","11.2646","0.0016","14.82","0.002","94.978","0.01","104.479","0.009","90.047","0.01","1456.5","0.4","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H33 N3 O2 -","- C36 H33 N3 O2 -","- C72 H66 N6 O4 -","2","1","","Zhou, Lu-Jia; Zhang, Yu-Chen; Zhao, Jia-Jia; Shi, Feng; Tu, Shu-Jiang","Organocatalytic Arylation of 3-Indolylmethanols via Chemo- and Regiospecific C6-Functionalization of Indoles.","The Journal of organic chemistry","2014","79","21","10390","","10.1021/jo501989x","","","0.71073","MoKα","","0.1474","0.0826","","","0.2441","0.2873","","","","","","1.0897","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030092","6.232","0.003","10.854","0.005","12.929","0.008","65.452","0.016","88.269","0.01","89.109","0.012","795.1","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 F N4 -","- C20 H17 F N4 -","- C40 H34 F2 N8 -","2","1","","Butler, Ashlie J. E.; Thompson, Mark J.; Maydom, Patrick J.; Newby, James A.; Guo, Kai; Adams, Harry; Chen, Beining","Regioselective Synthesis of 3-Aminoimidazo[1,2-a]-pyrimidines under Continuous Flow Conditions.","The Journal of organic chemistry","2014","79","21","10196","","10.1021/jo501861g","","","0.71073","MoKα","","0.2165","0.1003","","","0.2726","0.3539","","","","","","0.991","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030093","11.6449","0.0013","13.8787","0.0015","11.5724","0.0012","90","","96.172","0.006","90","","1859.4","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N4 -","- C20 H26 N4 -","- C80 H104 N16 -","4","1","","Butler, Ashlie J. E.; Thompson, Mark J.; Maydom, Patrick J.; Newby, James A.; Guo, Kai; Adams, Harry; Chen, Beining","Regioselective Synthesis of 3-Aminoimidazo[1,2-a]-pyrimidines under Continuous Flow Conditions.","The Journal of organic chemistry","2014","79","21","10196","","10.1021/jo501861g","","","0.71073","MoKα","","0.0966","0.0497","","","0.1012","0.1184","","","","","","1.021","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030094","12.4646","0.0008","13.6468","0.0007","11.9725","0.0006","90","","93.606","0.004","90","","2032.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Cl N4 -","- C20 H25 Cl N4 -","- C80 H100 Cl4 N16 -","4","1","","Butler, Ashlie J. E.; Thompson, Mark J.; Maydom, Patrick J.; Newby, James A.; Guo, Kai; Adams, Harry; Chen, Beining","Regioselective Synthesis of 3-Aminoimidazo[1,2-a]-pyrimidines under Continuous Flow Conditions.","The Journal of organic chemistry","2014","79","21","10196","","10.1021/jo501861g","","","0.71073","MoKα","","0.0541","0.0454","","","0.1236","0.1284","","","","","","1.068","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030095","5.8953","0.0003","23.8378","0.0009","10.0264","0.0004","90","","104.431","0.005","90","","1364.56","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(6R*,7R*)-4-methyl-7-phenyl-1-oxaspiro[5.5]undec-4-ene 30b","","- C17 H22 O -","- C17 H22 O -","- C68 H88 O4 -","4","1","","Weidmann, Verena; Ploog, Jasper; Kliewer, Serge; Schaffrath, Mathias; Maison, Wolfgang","Variants of the Prins cyclization for the synthesis of terpenoid spiroethers and oxabicyclo[3.3.1]nonane-derivatives.","The Journal of organic chemistry","2014","79","21","10123","","10.1021/jo501755x","","","1.54184","CuKα","","0.073","0.0604","","","0.1558","0.1784","","","","","","1.111","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030096","7.8492","0.0003","16.3878","0.0006","10.0647","0.0004","90","","108.712","0.005","90","","1226.2","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-methoxy-1,9-dimethyl-10-oxatricyclo[7.3.1.0]-trideca-2,4,6-triene","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Weidmann, Verena; Ploog, Jasper; Kliewer, Serge; Schaffrath, Mathias; Maison, Wolfgang","Variants of the Prins cyclization for the synthesis of terpenoid spiroethers and oxabicyclo[3.3.1]nonane-derivatives.","The Journal of organic chemistry","2014","79","21","10123","","10.1021/jo501755x","","","1.54178","CuKα","","0.0882","0.0834","","","0.2106","0.2267","","","","","","1.051","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030097","8.5964","0.0017","17.998","0.004","8.9574","0.0018","90","","108.73","0.03","90","","1312.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-methyl-14-oxatetracyclo[11.3.1.0.0]heptadeca-2,4,6-triene","","- C17 H22 O -","- C17 H22 O -","- C68 H88 O4 -","4","1","","Weidmann, Verena; Ploog, Jasper; Kliewer, Serge; Schaffrath, Mathias; Maison, Wolfgang","Variants of the Prins cyclization for the synthesis of terpenoid spiroethers and oxabicyclo[3.3.1]nonane-derivatives.","The Journal of organic chemistry","2014","79","21","10123","","10.1021/jo501755x","","","1.54184","CuKα","","0.0361","0.035","","","0.0968","0.0978","","","","","","1.048","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030098","12.0854","0.0005","11.5177","0.0005","24.1477","0.0011","90","","103.661","0.001","90","","3266.2","0.2","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C16 H23 O2.5 Se -","- C16 H23 O2.5 Se -","- C128 H184 O20 Se8 -","8","4","","Orlov, Nikolay V.; Chistyakov, Igor V.; Khemchyan, Levon L.; Ananikov, Valentine P.; Beletskaya, Irina P.; Starikova, Zoya A.","Exclusive selectivity in the one-pot formation of C-C and C-se bonds involving ni-catalyzed alkyne hydroselenation: optimization of the synthetic procedure and a mechanistic study.","The Journal of organic chemistry","2014","79","24","12111","12121","10.1021/jo501953f","","","0.71073","MoKα","","0.0508","0.0363","","","0.0746","0.0799","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030099","14.9668","0.0005","10.1098","0.0004","22.2147","0.0009","90","","96.306","0.001","90","","3341","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","JJ-ad","","","- C33 H33 Br Cl N3 O -","- C33 H33 Br Cl N3 O -","- C132 H132 Br4 Cl4 N12 O4 -","4","2","","Izquierdo, Cristina; Esteban, Francisco; Parra, Alejandro; Alfaro, Ricardo; Alemán, José; Fraile, Alberto; Ruano, José Luis García","Control of the Dual Reactivity (Iminium-Dienamine) of β-Arylmethyl α,β-Unsaturated Aldehydes in Organocatalytic 1,3-Dipolar Cycloadditions with N-Benzoyl C,N-Cyclic Azomethine Imines.","The Journal of organic chemistry","2014","79","21","10417","","10.1021/jo5018519","","","0.71073","","","0.11","0.062","","","0.182","0.2145","","","","","","0.995","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030100","15.4637","0.0009","7.0007","0.0004","17.5777","0.0009","90","","112.138","0.002","90","","1762.62","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","Dienamina HCl_LT","","","- C38 H39 Br Cl F3 N3 O4 -","- C38 H39 Br Cl F3 N3 O4 -","- C76 H78 Br2 Cl2 F6 N6 O8 -","2","1","","Izquierdo, Cristina; Esteban, Francisco; Parra, Alejandro; Alfaro, Ricardo; Alemán, José; Fraile, Alberto; Ruano, José Luis García","Control of the Dual Reactivity (Iminium-Dienamine) of β-Arylmethyl α,β-Unsaturated Aldehydes in Organocatalytic 1,3-Dipolar Cycloadditions with N-Benzoyl C,N-Cyclic Azomethine Imines.","The Journal of organic chemistry","2014","79","21","10417","","10.1021/jo5018519","","","0.71073","","","0.1093","0.0933","","","0.2585","0.2695","","","","","","1.071","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030101","8.36","0.003","11.484","0.005","14.287","0.006","101.26","0.03","95.06","0.02","90.03","0.03","1339.8","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","DIPOLO HUMEDO","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","2","","Izquierdo, Cristina; Esteban, Francisco; Parra, Alejandro; Alfaro, Ricardo; Alemán, José; Fraile, Alberto; Ruano, José Luis García","Control of the Dual Reactivity (Iminium-Dienamine) of β-Arylmethyl α,β-Unsaturated Aldehydes in Organocatalytic 1,3-Dipolar Cycloadditions with N-Benzoyl C,N-Cyclic Azomethine Imines.","The Journal of organic chemistry","2014","79","21","10417","","10.1021/jo5018519","","","0.71073","","","0.2391","0.1017","","","0.2109","0.2637","","","","","","1","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030102","24.8158","0.0008","8.449","0.0003","14.6172","0.0006","90","","90","","90","","3064.77","0.19","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C18 H20 O5 -","- C18 H20 O5 -","- C144 H160 O40 -","8","1","","Xu, Hongtao; Tang, Huanyu; Feng, Huijin; Li, Yuanchao","Divergent Total Synthesis of Triptolide, Triptonide, Tripdiolide, 16-Hydroxytriptolide, and Their Analogues.","The Journal of organic chemistry","2014","79","21","10110","","10.1021/jo501744j","","","0.71073","MoKα","","0.0545","0.0385","","","0.105","0.1122","","","","","","1.168","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030103","12.0634","0.0007","10.276","0.0006","12.846","0.0008","90","","114.159","0.002","90","","1452.96","0.15","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Xu, Hongtao; Tang, Huanyu; Feng, Huijin; Li, Yuanchao","Divergent Total Synthesis of Triptolide, Triptonide, Tripdiolide, 16-Hydroxytriptolide, and Their Analogues.","The Journal of organic chemistry","2014","79","21","10110","","10.1021/jo501744j","","","0.71073","MoKα","","0.0575","0.0454","","","0.1411","0.1499","","","","","","1.12","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030104","32.422","0.007","10.444","0.002","22.801","0.005","90","","123.04","0.03","90","","6472","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H27 Cl N2 O3 -","- C38 H27 Cl N2 O3 -","- C304 H216 Cl8 N16 O24 -","8","1","","Zhou, Rong; Yang, Changjiang; Liu, Yiyi; Li, Ruifeng; He, Zhengjie","Diastereoselective Synthesis of Functionalized Spirocyclopropyl Oxindoles via P(NMe2)3-Mediated Reductive Cyclopropanation.","The Journal of organic chemistry","2014","79","21","10709","","10.1021/jo502106c","","","0.71073","MoKα","","0.1052","0.0776","","","0.1909","0.2083","","","","","","1.104","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030105","8.8451","0.0018","11.663","0.002","13.734","0.003","77.1","0.03","72.29","0.03","86.66","0.03","1315.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H27 N O4 -","- C33 H27 N O4 -","- C66 H54 N2 O8 -","2","1","","Zhou, Rong; Yang, Changjiang; Liu, Yiyi; Li, Ruifeng; He, Zhengjie","Diastereoselective Synthesis of Functionalized Spirocyclopropyl Oxindoles via P(NMe2)3-Mediated Reductive Cyclopropanation.","The Journal of organic chemistry","2014","79","21","10709","","10.1021/jo502106c","","","0.71073","MoKα","","0.0858","0.0464","","","0.0987","0.1109","","","","","","1.022","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030106","8.7618","0.0011","28.36","0.004","8.9322","0.0011","90","","100.258","0.005","90","","2184","0.5","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O9 -","- C20 H32 O9 -","- C80 H128 O36 -","4","2","","Das, Soumendra Nath; Rana, Richa; Chatterjee, Sabyasachi; Suresh Kumar, Gopinatha; Mandal, Sukhendu B.","Ring-Closing Metathesis and Glycosylation Reactions: Synthesis and Biophysical Studies of Polyether-Linked Carbohydrate-Based Macrocyclic Nucleosides.","The Journal of organic chemistry","2014","79","21","9958","","10.1021/jo501857k","","","0.71073","MoKα","","0.0458","0.0392","","","0.0932","0.0978","","","","","","1.056","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030107","6.9401","0.0003","11.7725","0.0006","14.9488","0.0006","90","","102.77","0.002","90","","1191.14","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N4 S3 -","- C12 H6 N4 S3 -","- C48 H24 N16 S12 -","4","1","","Chávez, Patricia; Ngov, Chheng; Frémont, Pierre de; Lévêque, Patrick; Leclerc, Nicolas","Synthesis by Direct Arylation of Thiazole-Derivatives: Regioisomer Configurations-Optical Properties Relationship Investigation.","The Journal of organic chemistry","2014","79","21","10179","","10.1021/jo501685t","","","0.71073","MoKα","","0.05","0.0374","","","0.095","0.1051","","","","","","1.063","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030108","8.274","0.002","11.141","0.003","12.659","0.004","90","","97.009","0.006","90","","1158.2","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N4 S3 -","- C12 H6 N4 S3 -","- C48 H24 N16 S12 -","4","1","","Chávez, Patricia; Ngov, Chheng; Frémont, Pierre de; Lévêque, Patrick; Leclerc, Nicolas","Synthesis by Direct Arylation of Thiazole-Derivatives: Regioisomer Configurations-Optical Properties Relationship Investigation.","The Journal of organic chemistry","2014","79","21","10179","","10.1021/jo501685t","","","0.71073","MoKα","","0.0895","0.0678","","","0.2003","0.2135","","","","","","1.099","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030109","10.1348","0.00019","17.309","0.0003","38.8028","0.0005","90","","90","","90","","6806.91","0.19","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H34 F N O9 S -","- C31 H34 F N O9 S -","- C248 H272 F8 N8 O72 S8 -","8","1","","Bai, Sha; Liao, Yuting; Lin, Lili; Luo, Weiwei; Liu, Xiaohua; Feng, Xiaoming","N,N'-Dioxide-Scandium(III)-Catalyzed Asymmetric Aza-Friedel-Crafts Reaction of Sesamol with Aldimines.","The Journal of organic chemistry","2014","79","21","10662","","10.1021/jo5020036","","x-ray","1.54184","CuKα","","0.0778","0.0714","","","0.1995","0.2123","","","","","","1.035","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030110","18.321","0.01","7.322","0.004","14.433","0.008","90","","109.457","0.017","90","","1825.6","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Das, Uttam Kumar; Mandal, Subhajit; Anoop, Anakuthil; Bhattacharjee, Manish","Structure-Selectivity Relationship in Ruthenium-Catalyzed Regio- and Stereoselective Addition of Alkynes to Pyrazoles: An Experimental and Theoretical Investigation.","The Journal of organic chemistry","2014","79","21","9979","","10.1021/jo502151z","","","0.71073","MoKα","","0.2009","0.076","","","0.1563","0.2237","","","","","","1.043","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030111","10.4536","0.0003","11.9049","0.0003","22.4319","0.0006","90","","90","","90","","2791.63","0.13","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 Cl N2 O5 -","- C32 H23 Cl N2 O5 -","- C128 H92 Cl4 N8 O20 -","4","1","","Geng, Zhi-Cong; Zhang, Shao-Yun; Li, Nai-Kai; Li, Ning; Chen, Jian; Li, Hai-Yan; Wang, Xing-Wang","Organocatalytic diversity-oriented asymmetric synthesis of tricyclic chroman derivatives.","The Journal of organic chemistry","2014","79","22","10772","10785","10.1021/jo501560m","","","1.54184","CuKα","","0.0599","0.0476","","","0.1143","0.1233","","","","","","1.017","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030112","8.2432","0.0006","8.647","0.0006","28.4472","0.0016","90","","90","","90","","2027.7","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br Cl O5 -","- C21 H18 Br Cl O5 -","- C84 H72 Br4 Cl4 O20 -","4","1","","Geng, Zhi-Cong; Zhang, Shao-Yun; Li, Nai-Kai; Li, Ning; Chen, Jian; Li, Hai-Yan; Wang, Xing-Wang","Organocatalytic diversity-oriented asymmetric synthesis of tricyclic chroman derivatives.","The Journal of organic chemistry","2014","79","22","10772","10785","10.1021/jo501560m","","","0.71073","MoKα","","0.1117","0.0641","","","0.1455","0.163","","","","","","1.036","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030113","15.0974","0.0002","19.1605","0.0003","32.7141","0.0004","90","","90","","90","","9463.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 N O5 -","- C38 H41 N O5 -","- C456 H492 N12 O60 -","12","3","","Szcześniak, Piotr; Stecko, Sebastian; Maziarz, Elżbieta; Staszewska-Krajewska, Olga; Furman, Bartłomiej","Synthesis of Polyhydroxylated Quinolizidine and Indolizidine Scaffolds from Sugar-Derived Lactams via a One-Pot Reduction/Mannich/Michael Sequence.","The Journal of organic chemistry","2014","79","21","10487","","10.1021/jo502146z","","","1.54184","CuKα","","0.0803","0.0763","","","0.2044","0.2119","","","","","","1.035","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030114","5.1699","0.0001","7.3333","0.0002","11.1791","0.0002","90","","89.7378","0.0017","90","","423.822","0.016","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H15 N O5 -","- C7 H15 N O5 -","- C14 H30 N2 O10 -","2","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.5418","CuKα","","0.0328","0.0327","","0.0832","0.0831","0.0832","","","","","","1.0184","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030115","18.4924","0.0004","10.2023","0.0003","11.8598","0.0003","90","","100.565","0.002","90","","2199.6","0.1","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H33 N O5 -","- C22 H33 N O5 -","- C88 H132 N4 O20 -","4","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.5418","CuKα","","0.029","0.0282","","0.0738","0.0732","0.0738","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030116","10.6486","0.0004","8.3141","0.0003","11.0574","0.0005","90","","105.074","0.0015","90","","945.26","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O4 -","- C19 H29 N O4 -","- C38 H58 N2 O8 -","2","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","0.71073","MoKα","","0.0402","0.0325","","0.0746","0.0715","0.0746","","","","","","0.9781","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030117","7.7876","0.0002","9.2123","0.0002","9.6509","0.0003","90","","107.017","0.003","90","","662.06","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.5418","CuKα","","0.0302","0.03","","0.0772","0.0771","0.0772","","","","","","1.0157","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030118","8.9839","0.0003","9.0223","0.0005","9.7106","0.0003","90","","90","","90","","787.1","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 N2 O8 -","- C14 H26 N2 O8 -","- C28 H52 N4 O16 -","2","0.5","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.5418","CuKα","","0.0294","0.0289","","0.0774","0.0768","0.0774","","","","","","1.0192","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030119","25.9883","0.0007","25.9883","0.0007","5.81758","0.00017","90","","90","","120","","3402.74","0.16","150","","150","","","","","","","","","4","R 3 :H","R 3","146","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C135 H171 N9 O36 -","9","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.54184","CuKα","","0.0987","0.0899","","0.1243","0.1013","0.097","","","","","","1.1027","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4030120","13.0557","0.0004","13.3816","0.0004","13.8875","0.0004","117.991","0.001","107.05","0.001","92.902","0.001","1996.69","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,4-Dimethoxy-3-methyl-6,11,16,21-tetraphenyl- 24-thiabenziporphyrin","","- C52 H43 N2 O2 S -","- C49 H36 N2 O2 S -","- C98 H72 N4 O4 S2 -","2","1","","Fosu, Stacy C.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and metalation of dimethoxybenziporphyrins, thiabenziporphyrins, and dibenziporphyrins.","The Journal of organic chemistry","2014","79","22","11061","11074","10.1021/jo502063w","","","0.71073","MoKα","","0.0471","0.0418","","","","0.1207","","","","","","1.068","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030121","12.952","0.005","23.282","0.009","13.42","0.005","90","","108.926","0.008","90","","3828","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[4-Methoxy-6,11,16,21-tetraphenyl-24-thiaoxybenziporphyrinato]palladium(II)","","- C48 H31 Cl3 N2 O2 Pd S -","- C48 H31 Cl3 N2 O2 Pd S -","- C192 H124 Cl12 N8 O8 Pd4 S4 -","4","1","","Fosu, Stacy C.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and metalation of dimethoxybenziporphyrins, thiabenziporphyrins, and dibenziporphyrins.","The Journal of organic chemistry","2014","79","22","11061","11074","10.1021/jo502063w","","","0.71073","MoKα","","0.1765","0.0611","","","","0.1408","","","","","","0.968","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030122","10.5808","0.0005","10.1713","0.0004","19.4113","0.0008","90","","92.635","0.004","90","","2086.84","0.15","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Br N O5 S -","- C21 H22 Br N O5 S -","- C84 H88 Br4 N4 O20 S4 -","4","1","","Wu, Lijun; Huang, Hui; Liang, Yun; Cheng, Pi","Regio- and stereoselective synthesis of 2-amino-dienes via decarboxylative amination of 4-(ethoxycarbonyl)-2,3-allenols by TsNCO.","The Journal of organic chemistry","2014","79","22","11264","11269","10.1021/jo502098b","","","0.71073","MoKα","","0.0594","0.0387","","","0.0775","0.0867","","","","","","1.037","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030123","9.0976","0.0018","9.3489","0.0019","18.199","0.004","90","","90","","90","","1547.9","0.6","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Bos, Maxence; Riguet, Emmanuel","Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction.","The Journal of organic chemistry","2014","79","22","10881","10889","10.1021/jo501908z","","x-ray","0.71073","MoKα","","0.0369","0.0316","","","0.0803","0.084","","","","","","1.053","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030124","9.3395","0.0019","9.881","0.002","11.877","0.002","90","","101.85","0.03","90","","1072.7","0.4","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O5 -","- C22 H28 N2 O5 -","- C44 H56 N4 O10 -","2","1","","Bos, Maxence; Riguet, Emmanuel","Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction.","The Journal of organic chemistry","2014","79","22","10881","10889","10.1021/jo501908z","","x-ray","0.71073","MoKα","","0.1065","0.0754","","","0.1916","0.216","","","","","","1.025","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030125","11.0691","0.0016","11.0691","0.0016","54.673","0.011","90","","90","","90","","6698.8","1.9","297","","297","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C17 H18 Br N O4 -","- C17 H18 Br N O4 -","- C272 H288 Br16 N16 O64 -","16","2","","Bos, Maxence; Riguet, Emmanuel","Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction.","The Journal of organic chemistry","2014","79","22","10881","10889","10.1021/jo501908z","","x-ray","1.54178","CuKα","","0.1554","0.0828","","","0.1904","0.2797","","","","","","1.121","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4030126","6.9323","0.0002","15.4032","0.0005","14.774","0.0005","90","","93.929","0.001","90","","1573.85","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Sarraf, Daad; Richy, Nicolas; Vidal, Joëlle","Synthesis of lactams by isomerization of oxindoles substituted at C-3 by an ω-amino chain.","The Journal of organic chemistry","2014","79","22","10945","10955","10.1021/jo501978j","","x-ray","0.71073","MoKα","","0.051","0.0415","","","0.1064","0.1139","","","","","","1.036","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030127","9.554","0.01","11.029","0.012","12.179","0.013","91.515","0.012","100.99","0.011","115.566","0.012","1128","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl N2 O6 -","- C24 H21 Cl N2 O6 -","- C48 H42 Cl2 N4 O12 -","2","1","","Xu, Shibo; Li, Chunju; Jia, Xueshun; Li, Jian","AlCl3-promoted selective Michael addition with allenoate and methyleneindolinone: synthesis of spirocyclic oxindole by using allenoate as a four-carbon component building block.","The Journal of organic chemistry","2014","79","22","11161","11169","10.1021/jo502209f","","","0.71073","MoKα","","0.0576","0.044","","","0.1211","0.1358","","","","","","1.129","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030128","12.287","0.009","14.357","0.011","14.46","0.011","70.247","0.009","68.697","0.008","71.843","0.008","2184","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Cl2 N O4 -","- C23 H21 Cl2 N O4 -","- C92 H84 Cl8 N4 O16 -","4","2","","Xu, Shibo; Li, Chunju; Jia, Xueshun; Li, Jian","AlCl3-promoted selective Michael addition with allenoate and methyleneindolinone: synthesis of spirocyclic oxindole by using allenoate as a four-carbon component building block.","The Journal of organic chemistry","2014","79","22","11161","11169","10.1021/jo502209f","","","0.71073","MoKα","","0.0919","0.0701","","","0.1842","0.2048","","","","","","1.056","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030129","9.411","0.004","11.214","0.005","15.479","0.007","90","","98.632","0.005","90","","1615.1","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl N O4 -","- C17 H16 Cl N O4 -","- C68 H64 Cl4 N4 O16 -","4","1","","Xu, Shibo; Li, Chunju; Jia, Xueshun; Li, Jian","AlCl3-promoted selective Michael addition with allenoate and methyleneindolinone: synthesis of spirocyclic oxindole by using allenoate as a four-carbon component building block.","The Journal of organic chemistry","2014","79","22","11161","11169","10.1021/jo502209f","","","0.71073","MoKα","","0.0462","0.0389","","","0.0975","0.1036","","","","","","1.044","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030130","7.986","0.005","19.283","0.013","10.936","0.009","90","","96.99","0.03","90","","1672","2","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","1","","Zhang, Yan-Jing; Hou, Qi-Lan; Wang, Hai-Jing; Liao, Wei-Wei","Lewis base-promoted rearrangement of allylic cyanohydrins: construction of functionalized nitriles bearing 1,3-diketone moieties.","The Journal of organic chemistry","2014","79","22","10890","10898","10.1021/jo501909w","","","0.71073","MoKα","","0.0362","0.0333","","","0.0803","0.0816","","","","","","1.033","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030131","10.252","0.0008","10.6251","0.0009","13.0929","0.0011","90.313","0.001","111.307","0.002","107.904","0.002","1253.27","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H27 Cl N4 -","- C32 H27 Cl N4 -","- C64 H54 Cl2 N8 -","2","1","","Tu, Xing-Jun; Hao, Wen-Juan; Ye, Qin; Wang, Shuang-Shuang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Four-component bicyclization approaches to skeletally diverse pyrazolo[3,4-b]pyridine derivatives.","The Journal of organic chemistry","2014","79","22","11110","11118","10.1021/jo502096t","","","0.71073","MoKα","","0.1371","0.0767","","","0.1634","0.1803","","","","","","1.082","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030132","8.0316","0.0008","9.266","0.0009","9.7678","0.0007","110.117","0.001","113.018","0.002","94.668","0.001","608.32","0.1","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","1","1","","Tu, Xing-Jun; Hao, Wen-Juan; Ye, Qin; Wang, Shuang-Shuang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Four-component bicyclization approaches to skeletally diverse pyrazolo[3,4-b]pyridine derivatives.","The Journal of organic chemistry","2014","79","22","11110","11118","10.1021/jo502096t","","","0.71073","MoKα","","0.0764","0.0563","","","0.1329","0.1443","","","","","","1.013","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030133","10.1833","0.0008","11.2946","0.0009","12.4239","0.0011","102.068","0.002","91.225","0.001","91.272","0.001","1396.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N6 O2 -","- C34 H28 N6 O2 -","- C68 H56 N12 O4 -","2","1","","Tu, Xing-Jun; Hao, Wen-Juan; Ye, Qin; Wang, Shuang-Shuang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang","Four-component bicyclization approaches to skeletally diverse pyrazolo[3,4-b]pyridine derivatives.","The Journal of organic chemistry","2014","79","22","11110","11118","10.1021/jo502096t","","","0.71073","MoKα","","0.1819","0.0637","","","0.0936","0.1105","","","","","","1.037","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030134","10.211","0.002","24.258","0.003","12.287","0.002","90","","115.848","0.003","90","","2739","0.8","143","1","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H39 Br -","- C35 H39 Br -","- C140 H156 Br4 -","4","1","","Mallory, Frank B.; Regan, Colleen K.; Bohen, Joseph M.; Mallory, Clelia W.; Bohen, Alyssa A.; Carroll, Patrick J.","Discovery of Deep-Seated Skeletal Rearrangements in the Photocyclizations of Some tert-Butyl-Substituted 1,2-Diarylethylenes.","The Journal of organic chemistry","2014","80","1","8","","10.1021/jo501965y","","","0.71069","MoKα","","0.055","0.0389","","0.0923","0.0868","","","","1.043","1.088","1.088","","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4030135","13.7987","0.0016","11.0811","0.0013","10.9368","0.0012","90","","98.595","0.005","90","","1653.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Mukhina, Olga A.; Kumar, N. N. Bhuvan; Cowger, Teresa M.; Kutateladze, Andrei G.","Photoassisted diversity-oriented synthesis: accessing 2,6-epoxyazocane (oxamorphan) cores.","The Journal of organic chemistry","2014","79","22","10956","10971","10.1021/jo5019848","","","0.71073","MoKα","","0.0435","0.0407","","","0.107","0.11","","","","","","1.038","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030136","7.4392","0.0002","21.5625","0.0006","10.4467","0.0003","90","","101.744","0.001","90","","1640.65","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Mukhina, Olga A.; Kumar, N. N. Bhuvan; Cowger, Teresa M.; Kutateladze, Andrei G.","Photoassisted diversity-oriented synthesis: accessing 2,6-epoxyazocane (oxamorphan) cores.","The Journal of organic chemistry","2014","79","22","10956","10971","10.1021/jo5019848","","","0.71073","MoKα","","0.0412","0.0403","","","0.1096","0.1106","","","","","","1.005","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030137","8.0631","0.0002","6.911","0.0002","12.3303","0.0003","90","","92.691","0.001","90","","686.34","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N O2 -","- C17 H18 N O2 -","- C34 H36 N2 O4 -","2","1","","Mukhina, Olga A.; Kumar, N. N. Bhuvan; Cowger, Teresa M.; Kutateladze, Andrei G.","Photoassisted diversity-oriented synthesis: accessing 2,6-epoxyazocane (oxamorphan) cores.","The Journal of organic chemistry","2014","79","22","10956","10971","10.1021/jo5019848","","","0.71073","MoKα","","0.044","0.0424","","","0.1187","0.1212","","","","","","1.05","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030138","11.6609","0.0012","12.215","0.0013","12.4769","0.0013","94.292","0.004","111.107","0.003","104.547","0.004","1577.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H86 N28 O26 -","- C50 H70 N28 O26 -","- C50 H70 N28 O26 -","1","0.5","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.0917","0.0679","","","0.2144","0.2481","","","","","","1.039","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030139","12.297","0.0016","12.3805","0.0009","12.5907","0.0009","118.978","0.003","95.084","0.004","104.624","0.004","1571.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H82 N28 O28 -","- C46 H54 N28 O28 -","- C46 H54 N28 O28 -","1","0.5","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.1023","0.0828","","","0.2471","0.2764","","","","","","1.032","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030140","21.163","0.004","14.201","0.002","20.285","0.003","90","","107.442","0.005","90","","5816.1","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H74 N28 O26 -","- C44 H58 N28 O26 -","- C176 H232 N112 O104 -","4","0.5","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.1152","0.0899","","","0.2742","0.314","","","","","","1.034","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030141","12.3509","0.0018","12.4048","0.0019","21.735","0.003","104.345","0.005","97.559","0.005","93.494","0.005","3183","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H86 N28 O28 -","- C48 H66 N28 O28 -","- C96 H132 N56 O56 -","2","1","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.0972","0.062","","","0.1802","0.2163","","","","","","1.022","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030142","22.652","0.006","11.965","0.003","23.937","0.007","90","","90","","90","","6488","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H78 N28 O30 -","- C42 H54 N26 O24 -","- C168 H216 N104 O96 -","4","0.5","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.0831","0.0582","","","0.1795","0.1968","","","","","","1.018","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030143","15.775","0.005","22.923","0.005","12.27","0.005","99.919","0.005","111.026","0.005","81.18","0.005","4059","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H120 O16 -","- C84 H120 O16 -","- C168 H240 O32 -","2","1","","Ghirga, Francesca; Quaglio, Deborah; Iovine, Valentina; Botta, Bruno; Pierini, Marco; Mannina, Luisa; Sobolev, Anatoly P.; Ugozzoli, Franco; D'Acquarica, Ilaria","Synthesis of a double-spanned resorc[4]arene via ring-closing metathesis and calculation of aggregation propensity.","The Journal of organic chemistry","2014","79","22","11051","11060","10.1021/jo502056v","","","1.54178","CuKα","","0.1983","0.0685","","","0.1854","0.1927","","","","","","0.799","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030145","10.8941","0.0013","19.949","0.002","11.7899","0.0014","90","","94.385","0.002","90","","2554.8","0.5","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","compound 6","","","- C31 H20 F3 N3 O -","- C31 H20 F3 N3 O -","- C124 H80 F12 N12 O4 -","4","2","","Gunasekaran, Pethaiah; Perumal, Subbu; Menéndez, J Carlos; Mancinelli, Michele; Ranieri, Silvia; Mazzanti, Andrea","Axial chirality of 4-arylpyrazolo[3,4-b]pyridines. Conformational analysis and absolute configuration.","The Journal of organic chemistry","2014","79","22","11039","11050","10.1021/jo502047n","","","0.71073","MoKα","","0.0741","0.0471","","","0.0884","0.0996","","","","","","1.065","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030146","8.659","0.003","10.157","0.004","14.308","0.005","97.338","0.004","94.911","0.004","107.3","0.004","1181.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","compound 3","","","- C29 H22 F3 N3 O -","- C29 H22 F3 N3 O -","- C58 H44 F6 N6 O2 -","2","1","","Gunasekaran, Pethaiah; Perumal, Subbu; Menéndez, J Carlos; Mancinelli, Michele; Ranieri, Silvia; Mazzanti, Andrea","Axial chirality of 4-arylpyrazolo[3,4-b]pyridines. Conformational analysis and absolute configuration.","The Journal of organic chemistry","2014","79","22","11039","11050","10.1021/jo502047n","","","0.71073","MoKα","","0.1012","0.0513","","","0.1233","0.1527","","","","","","0.982","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030147","8.467","0.001","14.563","0.001","20.469","0.004","90","","91.636","0.001","90","","2522.9","0.6","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H24 Cl F N O2 P -","- C30 H24 Cl F N O2 P -","- C120 H96 Cl4 F4 N4 O8 P4 -","4","2","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo","Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.","The Journal of organic chemistry","2014","79","22","11101","11109","10.1021/jo502094g","","","0.71073","MoKα","","0.1609","0.0617","","","0.0923","0.1151","","","","","","1.002","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030148","11.54","0.002","14.08","0.007","16.285","0.003","90","","90","","90","","2646","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cl2 N O2 P -","- C30 H24 Cl2 N O2 P -","- C120 H96 Cl8 N4 O8 P4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo","Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.","The Journal of organic chemistry","2014","79","22","11101","11109","10.1021/jo502094g","","","0.71073","MoKα","","0.1162","0.0642","","","0.1489","0.1778","","","","","","1.016","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030149","11.5133","0.0006","14.2627","0.0016","16.305","0.003","90","","90","","90","","2677.5","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Br Cl N O2 P -","- C30 H24 Br Cl N O2 P -","- C120 H96 Br4 Cl4 N4 O8 P4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo","Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.","The Journal of organic chemistry","2014","79","22","11101","11109","10.1021/jo502094g","","","0.71073","MoKα","","0.1727","0.0677","","","0.1072","0.1425","","","","","","1.01","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030150","12.5547","0.0017","9.004","0.003","22.0651","0.0014","90","","90","","90","","2494.3","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 Cl N O2 P -","- C30 H25 Cl N O2 P -","- C120 H100 Cl4 N4 O8 P4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo","Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.","The Journal of organic chemistry","2014","79","22","11101","11109","10.1021/jo502094g","","","0.71073","MoKα","","0.1249","0.0543","","","0.115","0.1497","","","","","","1.057","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030151","8.2377","0.0002","12.7351","0.0004","38.5075","0.001","90","","90","","90","","4039.74","0.19","200","","200","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 O6 -","- C42 H60 O6 -","- C168 H240 O24 -","4","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0849","0.0455","","","0.113","0.1238","","","","","","0.913","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030152","12.6491","0.0002","7.4042","0.0001","16.8171","0.0003","90","","101.056","0.001","90","","1545.8","0.04","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C35 H40 O7 -","- C35 H40 O7 -","- C70 H80 O14 -","2","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0271","0.0263","","","0.0665","0.0673","","","","","","1.069","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030155","5.8502","0.0007","11.47","0.0014","26.509","0.003","90","","90","","90","","1778.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br N O -","- C21 H18 Br N O -","- C84 H72 Br4 N4 O4 -","4","1","","Ren, Yuan-Yuan; Wang, You-Qing; Liu, Shuang","Asymmetric alkynylation of seven-membered cyclic imines by combining chiral phosphoric acids and Ag(I) catalysts: synthesis of 11-substituted-10,11-dihydrodibenzo[b,f][1,4]oxazepine derivatives.","The Journal of organic chemistry","2014","79","23","11759","11767","10.1021/jo5022037","","","0.71073","MoKα","","0.0639","0.0397","","","0.0828","0.0908","","","","","","0.993","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030156","7.966","0.01","17.26","0.03","12.842","0.02","90","","94.67","0.03","90","","1760","5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C80 H84 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0956","0.0516","","","0.118","0.1326","","","","","","1.158","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030157","7.942","0.008","17.973","0.016","10.869","0.01","90","","106.5","0.03","90","","1488","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0509","0.039","","","0.0985","0.105","","","","","","1.039","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030158","16.2047","0.0018","9.6713","0.0015","11.584","0.0013","90","","108.758","0.009","90","","1719","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O5 -","- C19 H16 N O5 -","- C76 H64 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.1405","0.0812","","","0.1643","0.1885","","","","","","1.566","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030159","23.22","0.007","6.4634","0.0018","14.462","0.004","90","","94.873","0.009","90","","2162.6","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0715","0.0634","","","0.1398","0.1429","","","","","","1.722","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030160","9.9202","0.0005","11.6625","0.0006","15.0194","0.0008","111.87","0.003","97.172","0.003","103.982","0.003","1519.64","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20.65 N O5.32 -","- C15 H15 N O5.332 -","- C60 H60 N4 O21.328 -","4","2","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0869","0.0666","","","0.1942","0.2084","","","","","","1.157","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030161","17.2369","0.0013","7.8216","0.0007","14.1194","0.0012","90","","104.169","0.004","90","","1845.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl2 N O5 -","- C16 H22 Cl2 N O5 -","- C64 H88 Cl8 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0631","0.0495","","","0.1337","0.1405","","","","","","1.082","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030162","8.7313","0.0004","10.5992","0.0005","10.6362","0.0005","60.424","0.002","74.354","0.003","71.334","0.003","803.55","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N3 O5 -","- C15 H21 N3 O5 -","- C30 H42 N6 O10 -","2","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0533","0.0464","","","0.1194","0.1253","","","","","","1.036","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030163","14.035","0.003","9.2967","0.0016","12.787","0.002","90","","93.461","0.011","90","","1665.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0543","0.0413","","","0.0827","0.0846","","","","","","1.994","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030164","13.287","0.008","10.538","0.007","14.009","0.01","90","","101.32","0.017","90","","1923","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C84 H100 N4 O24 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0524","0.0398","","","0.0867","0.0897","","","","","","1.646","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030165","7.5487","0.0013","13.271","0.003","16.861","0.005","90","","90","","90","","1689.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C68 H84 N4 O28 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0701","0.049","","","0.104","0.113","","","","","","0.998","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030166","19.694","0.01","13.615","0.006","5.587","0.003","90","","90","","90","","1498.1","1.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H21 N3 O4 -","- C15 H21 N3 O4 -","- C60 H84 N12 O16 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.1153","0.0845","","","0.1866","0.1958","","","","","","1.6","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030167","7.425","0.002","29.523","0.007","8.348","0.002","90","","107.871","0.004","90","","1741.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Br N2 O3 -","- C18 H21 Br N2 O3 -","- C72 H84 Br4 N8 O12 -","4","2","","Xu, Changming; Zhang, Long; Luo, Sanzhong","Asymmetric enamine catalysis with β-ketoesters by chiral primary amine: divergent stereocontrol modes.","The Journal of organic chemistry","2014","79","23","11517","11526","10.1021/jo502152w","","","0.71073","MoKα","","0.0422","0.0392","","","0.0802","0.0831","","","","","","1.075","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030168","11.2411","0.0007","7.7513","0.0005","19.5834","0.0012","90","","103.11","0.0017","90","","1661.89","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 5-(4-chlorophenyl)-3-(3-nitrophenyl)-1<i>H</i>-pyrrole-2- carboxylate","","- C19 H15 Cl N2 O4 -","- C19 H15 Cl N2 O4 -","- C76 H60 Cl4 N8 O16 -","4","1","","Imbri, Dennis; Netz, Natalie; Kucukdisli, Murat; Kammer, Lisa Marie; Jung, Philipp; Kretzschmann, Annika; Opatz, Till","One-pot synthesis of pyrrole-2-carboxylates and -carboxamides via an electrocyclization/oxidation sequence.","The Journal of organic chemistry","2014","79","23","11750","11758","10.1021/jo5021823","","","0.71073","MoKα","","0.0431","0.0337","","","0.0844","0.0906","","","","","","1.021","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030169","11.7244","0.0009","13.1147","0.001","13.1273","0.0011","80.454","0.007","84.455","0.006","76.543","0.006","1932.3","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","5-(4-Fluorophenyl)-3-(4-methoxyphenyl)-<i>N</i>-(2-methylpropyl)- 1<i>H</i>-pyrrole-2-carboxamide","","- C22 H23 F N2 O2 -","- C22 H23 F N2 O2 -","- C88 H92 F4 N8 O8 -","4","2","","Imbri, Dennis; Netz, Natalie; Kucukdisli, Murat; Kammer, Lisa Marie; Jung, Philipp; Kretzschmann, Annika; Opatz, Till","One-pot synthesis of pyrrole-2-carboxylates and -carboxamides via an electrocyclization/oxidation sequence.","The Journal of organic chemistry","2014","79","23","11750","11758","10.1021/jo5021823","","","0.71073","MoKα","","0.084","0.0492","","","0.1236","0.1394","","","","","","1.027","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030170","32.745","0.007","6.2347","0.0012","17.488","0.004","90","","96.92","0.03","90","","3544.3","1.3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl N O2 -","- C22 H16 Cl N O2 -","- C176 H128 Cl8 N8 O16 -","8","1","","Chen, Zhi-Wei; Zhu, Yi-Zhou; Ou, Jin-Wang; Wang, Ya-Ping; Zheng, Jian-Yu","Metal-free iodine(III)-promoted synthesis of isoquinolones.","The Journal of organic chemistry","2014","79","22","10988","10998","10.1021/jo5020307","","","0.71073","MoKα","","0.0547","0.0479","","","0.1391","0.1475","","","","","","1.056","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030171","9.953","0.002","12.581","0.003","15.107","0.003","90.32","0.03","97.35","0.03","99.51","0.03","1849.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","2","","Chen, Zhi-Wei; Zhu, Yi-Zhou; Ou, Jin-Wang; Wang, Ya-Ping; Zheng, Jian-Yu","Metal-free iodine(III)-promoted synthesis of isoquinolones.","The Journal of organic chemistry","2014","79","22","10988","10998","10.1021/jo5020307","","","0.71073","MoKα","","0.1286","0.0587","","","0.1308","0.1589","","","","","","1.014","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030172","8.4145","0.0017","8.9482","0.0018","17.838","0.004","90","","102.12","0.03","90","","1313.2","0.5","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Chen, Zhi-Wei; Zhu, Yi-Zhou; Ou, Jin-Wang; Wang, Ya-Ping; Zheng, Jian-Yu","Metal-free iodine(III)-promoted synthesis of isoquinolones.","The Journal of organic chemistry","2014","79","22","10988","10998","10.1021/jo5020307","","","0.71073","MoKα","","0.0635","0.0494","","","0.127","0.1388","","","","","","1.01","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030173","11.395","0.002","8.4405","0.0017","16.714","0.003","90","","91.37","0.03","90","","1607.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O2 S -","- C20 H15 N O2 S -","- C80 H60 N4 O8 S4 -","4","1","","Chen, Zhi-Wei; Zhu, Yi-Zhou; Ou, Jin-Wang; Wang, Ya-Ping; Zheng, Jian-Yu","Metal-free iodine(III)-promoted synthesis of isoquinolones.","The Journal of organic chemistry","2014","79","22","10988","10998","10.1021/jo5020307","","","0.71073","MoKα","","0.069","0.0511","","","0.1316","0.1426","","","","","","1.082","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030174","11.536","0.002","13.186","0.002","18.136","0.003","96.984","0.005","100.355","0.005","99.64","0.005","2642.6","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cl2 Cu N15 O16 -","- C46 H50 Cl2 Cu N15 O16 -","- C92 H100 Cl4 Cu2 N30 O32 -","2","1","","Saha, Subrata; Santra, Saikat; Akhuli, Bidyut; Ghosh, Pradyut","[2]Rotaxane with multiple functional groups.","The Journal of organic chemistry","2014","79","22","11170","11178","10.1021/jo502235z","","","0.71073","MoKα","","0.0664","0.0563","","","0.1594","0.1693","","","","","","1.037","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030175","23.049","0.005","7.2946","0.0015","20.98","0.004","90","","99.77","0.03","90","","3476.3","1.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 F3 N2 O S -","- C19 H15 F3 N2 O S -","- C152 H120 F24 N16 O8 S8 -","8","1","","Wang, Yang; Zhao, Fei; Chi, Yue; Zhang, Wen-Xiong; Xi, Zhenfeng","Substituent-controlled selective synthesis of N-acyl 2-aminothiazoles by intramolecular Zwitterion-mediated C-N bond cleavage.","The Journal of organic chemistry","2014","79","22","11146","11154","10.1021/jo502123k","","","0.71073","MoKα","","0.0957","0.0439","","","0.0583","0.0613","","","","","","0.928","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030200","24.266","0.017","5.72","0.004","13.017","0.01","90","","120.428","0.01","90","","1558","2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H13 Cl N2 O2 -","- C19 H13 Cl N2 O2 -","- C76 H52 Cl4 N8 O8 -","4","1","","Chu, Jean-Ho; Hsu, Wen-Ting; Wu, Yi-Hua; Chiang, Meng-Fan; Hsu, Nan-Hai; Huang, Hao-Ping; Wu, Ming-Jung","Substituent electronic effects govern direct intramolecular C-N cyclization of N-(Biphenyl)pyridin-2-amines induced by hypervalent iodine(III) reagents.","The Journal of organic chemistry","2014","79","23","11395","11408","10.1021/jo501822m","","","0.71073","MoKα","","0.1849","0.0749","","","0.1801","0.2653","","","","","","1.007","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030201","3.8405","0.0002","16.0573","0.0009","25.5787","0.0012","90","","90","","90","","1577.39","0.14","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Cl N2 -","- C17 H11 Cl N2 -","- C68 H44 Cl4 N8 -","4","1","","Chu, Jean-Ho; Hsu, Wen-Ting; Wu, Yi-Hua; Chiang, Meng-Fan; Hsu, Nan-Hai; Huang, Hao-Ping; Wu, Ming-Jung","Substituent electronic effects govern direct intramolecular C-N cyclization of N-(Biphenyl)pyridin-2-amines induced by hypervalent iodine(III) reagents.","The Journal of organic chemistry","2014","79","23","11395","11408","10.1021/jo501822m","","","0.71073","MoKα","","0.0473","0.0407","","","0.1086","0.1118","","","","","","1.005","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030202","19.728","0.005","12.427","0.006","17.19","0.005","90","","124.311","0.018","90","","3481","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 Cl N4 -","- C21 H13 Cl N4 -","- C168 H104 Cl8 N32 -","8","1","","Zhang, Lei; Zheng, Liyao; Guo, Biao; Hua, Ruimao","One-pot synthesis of multisubstituted 2-aminoquinolines from annulation of 1-aryl tetrazoles with internal alkynes via double C-H activation and denitrogenation.","The Journal of organic chemistry","2014","79","23","11541","11548","10.1021/jo502192b","","","0.71073","MoKα","","0.0779","0.0463","","","0.082","0.0956","","","","","","1.07","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030203","9.362","0.003","9.812","0.003","14.178","0.005","90","","97.93","0.04","90","","1289.9","0.7","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Zhang, Lei; Zheng, Liyao; Guo, Biao; Hua, Ruimao","One-pot synthesis of multisubstituted 2-aminoquinolines from annulation of 1-aryl tetrazoles with internal alkynes via double C-H activation and denitrogenation.","The Journal of organic chemistry","2014","79","23","11541","11548","10.1021/jo502192b","","","0.71073","MoKα","","0.071","0.043","","","0.0866","0.0974","","","","","","1.048","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030204","9.5249","0.001","10.3261","0.0011","16.1226","0.0017","77.226","0.002","82.154","0.002","69.713","0.002","1447.5","0.3","200","2","200","2","","","","","","","","2","P -1","-P 1","2","1a in manuscript","","","- C40 H30 -","- C40 H30 -","- C80 H60 -","2","1","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.0768","0.0511","","","0.1129","0.1319","","","","","","1.041","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030205","14.6419","0.0006","15.164","0.0006","17.0369","0.0007","90","","111.209","0.001","90","","3526.5","0.2","200","2","200","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","2a in manuscript","","","- C46 H42 -","- C46 H42 -","- C184 H168 -","4","1","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.0838","0.0497","","","0.112","0.129","","","","","","1.016","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030206","13.3327","0.0013","14.1261","0.0013","22.859","0.002","80.065","0.003","79.996","0.003","65.861","0.003","3844.3","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","3a in manuscript","","","- C46.25 H42 Cl0.28 O6.12 -","- C46.258 H42 Cl0.2705 O6.1225 -","- C185.032 H168 Cl1.082 O24.49 -","4","2","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.1721","0.0899","","","0.1538","0.175","","","","","","1.044","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030207","10.1649","0.0006","14.5991","0.0009","19.9342","0.0012","98.273","0.002","104.589","0.002","97.525","0.002","2789.5","0.3","200","2","200","2","","","","","","","","2","P -1","-P 1","2","1b in manuscript","","","- C40 H30 -","- C40 H30 -","- C160 H120 -","4","2","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.0754","0.0481","","","0.0992","0.1173","","","","","","1.062","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030208","9.8747","0.0009","11.2191","0.001","17.2403","0.0015","103.764","0.002","97.167","0.003","109.021","0.002","1710.7","0.3","200","2","200","2","","","","","","","","2","P -1","-P 1","2","2b in manuscript","","","- C46 H42 -","- C46 H42 -","- C92 H84 -","2","1","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.1195","0.063","","","0.1382","0.1633","","","","","","1.047","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030209","9.6352","0.0005","11.5649","0.0007","18.7317","0.0011","97.6701","0.0014","103.632","0.0013","111.834","0.0013","1825.52","0.18","200","2","200","2","","","","","","","","3","P -1","-P 1","2","3b in manuscript","","","- C46 H42 O6 -","- C46 H42 O6 -","- C92 H84 O12 -","2","1","","Freudenberg, Jan; Uptmoor, Andrea C.; Rominger, Frank; Bunz, Uwe H. F.","Photolability of per-arylated butadienes: en route to dihydronaphthalenes.","The Journal of organic chemistry","2014","79","23","11787","11791","10.1021/jo502293q","","","0.71073","MoKα","","0.0744","0.0482","","","0.1061","0.1196","","","","","","1.02","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030210","5.5979","0.0009","16.633","0.0016","8.6913","0.0007","90","","101.74","0.011","90","","792.32","0.16","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N O -","- C19 H16 Br N O -","- C38 H32 Br2 N2 O2 -","2","1","","Hua, Yuan-Zhao; Han, Xing-Wang; Yang, Xiao-Chao; Song, Xixi; Wang, Min-Can; Chang, Jun-Biao","Enantioselective Friedel-Crafts alkylation of pyrrole with chalcones catalyzed by a dinuclear zinc catalyst.","The Journal of organic chemistry","2014","79","23","11690","11699","10.1021/jo5023712","","","1.54184","CuKα","","0.0327","0.0313","","","0.0798","0.0823","","","","","","1.044","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030211","7.9007","0.0016","10.334","0.002","8.6158","0.0017","90","","111.72","0.03","90","","653.5","0.3","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O -","- C16 H17 N O -","- C32 H34 N2 O2 -","2","1","","Hua, Yuan-Zhao; Han, Xing-Wang; Yang, Xiao-Chao; Song, Xixi; Wang, Min-Can; Chang, Jun-Biao","Enantioselective Friedel-Crafts alkylation of pyrrole with chalcones catalyzed by a dinuclear zinc catalyst.","The Journal of organic chemistry","2014","79","23","11690","11699","10.1021/jo5023712","","","0.71073","MoKα","","0.0465","0.0422","","","0.0991","0.1025","","","","","","1.087","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030212","9.5719","0.0007","8.5121","0.0007","17.2444","0.0013","90","","97.11","0.006","90","","1394.22","0.19","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0788","0.0459","","","0.0956","0.108","","","","","","1.004","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030213","10.091","0.0006","14.27","0.0008","16.4485","0.0009","64.623","0.003","72.52","0.004","80.615","0.003","2039.6","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H26 O3 -","- C26 H26 O3 -","- C104 H104 O12 -","4","2","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0857","0.0456","","","0.1012","0.1193","","","","","","1.014","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030214","12.1767","0.0004","7.0864","0.0002","18.9922","0.0009","90","","105.033","0.003","90","","1582.73","0.1","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O2 -","- C19 H24 O2 -","- C76 H96 O8 -","4","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0576","0.052","","","0.1473","0.1551","","","","","","0.938","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030215","14.5496","0.0007","7.1138","0.0003","17.4167","0.0009","90","","99.946","0.003","90","","1775.59","0.15","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0752","0.0583","","","0.1625","0.1855","","","","","","1.102","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030216","11.1013","0.0003","8.4844","0.0002","15.9687","0.0005","90","","95.724","0.002","90","","1496.56","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.045","0.0381","","","0.092","0.0972","","","","","","1.042","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030217","5.9783","0.0011","7.2121","0.0011","13.006","0.003","77.36","0.007","79.561","0.007","89.748","0.008","537.76","0.18","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H17 Cl O2 -","- C11 H17 Cl O2 -","- C22 H34 Cl2 O4 -","2","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0403","0.0362","","","0.0993","0.1079","","","","","","1.123","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030218","7.3582","0.0002","10.2308","0.0003","10.3868","0.0004","95.5","0.002","97.251","0.002","101.113","0.001","755.3","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C36 H44 O4 -","2","1","","Lin, Hsin-Hui; Lee, Kuan-Yi; Chen, Yin-An; Liu, Chi-Fan; Yeh, Ming-Chang P","Diastereoselective synthesis of 2-arylmethylene-6-hydroxyspiro[4.5]deca-7-ones via FeCl3·6H2O-catalyzed spiroannulation/hydride transfer of 6-(5-arylpent-4-yn-1-yl)-7-oxabicyclo[4.1.0]heptan-2-ols.","The Journal of organic chemistry","2014","79","23","11802","11811","10.1021/jo5023266","","","0.71073","MoKα","","0.0936","0.0647","","","0.1919","0.2211","","","","","","1.036","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030219","8.836","0.002","6.0632","0.0019","16.037","0.005","90","","100.167","0.007","90","","845.7","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H28 N2 O5 -","- C15 H28 N2 O5 -","- C30 H56 N4 O10 -","2","1","","Sánchez-Fernández, Elena M; Álvarez, Eleuterio; Ortiz Mellet, Carmen; García Fernández, José M","Synthesis of multibranched australine derivatives from reducing castanospermine analogues through the Amadori rearrangement of gem-diamine intermediates: selective inhibitors of β-glucosidase.","The Journal of organic chemistry","2014","79","23","11722","11728","10.1021/jo5025283","","","0.71073","MoKα","","0.0689","0.0513","","","0.1319","0.1718","","","","","","1.096","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030220","18.6028","0.0008","19.681","0.0009","19.8332","0.0008","114.23","0.002","101.248","0.002","94.91","0.002","6382.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","compound 13","","- C74.5 H65 O8.25 -","- C74.5 H65 O8.25 -","- C298 H260 O33 -","4","2","","Schwenger, Alexander; Gerlach, Claudia; Griesser, Helmut; Richert, Clemens","Synthesis of eight-arm, branched oligonucleotide hybrids and studies on the limits of DNA-driven assembly.","The Journal of organic chemistry","2014","79","23","11558","11566","10.1021/jo5022053","","","1.54178","CuKα","","0.1014","0.0828","","","0.2096","0.2204","","","","","","1.102","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030221","15.83","0.002","5.1326","0.0007","17.275","0.002","90","","107.501","0.002","90","","1338.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 F2 N O3 -","- C15 H11 F2 N O3 -","- C60 H44 F8 N4 O12 -","4","1","","Smirnov, Vladimir O.; Struchkova, Marina I.; Arkhipov, Dmitry E.; Korlyukov, Alexander A.; Dilman, Alexander D.","Synthesis of gem-difluorinated nitroso compounds.","The Journal of organic chemistry","2014","79","23","11819","11823","10.1021/jo5023537","","","0.71073","MoKα","","0.0769","0.0459","","","0.1071","0.1212","","","","","","1.054","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030222","8.5372","0.0006","10.4431","0.0007","12.236","0.0008","81.804","0.001","69.686","0.001","82.905","0.001","1009.37","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 F2 N O4 -","- C24 H19 F2 N O4 -","- C48 H38 F4 N2 O8 -","2","1","","Smirnov, Vladimir O.; Struchkova, Marina I.; Arkhipov, Dmitry E.; Korlyukov, Alexander A.; Dilman, Alexander D.","Synthesis of gem-difluorinated nitroso compounds.","The Journal of organic chemistry","2014","79","23","11819","11823","10.1021/jo5023537","","","0.71073","MoKα","","0.0649","0.045","","","0.0969","0.1073","","","","","","1.017","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030223","22.0688","0.0004","6.4813","0.0001","25.2718","0.0005","90","","104.499","0.0008","90","","3499.62","0.11","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C160 H176 N16 O32 -","8","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.045","0.0377","","0.1","0.0952","0.1","","","","","","0.9978","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030224","5.2895","0.0003","25.359","0.002","15.0712","0.0011","90","","98.909","0.005","90","","1997.2","0.2","200","","200","","","","","","","","local","3","C 1 c 1","C -2yc","9","","","","- C22 H24 O8 -","- C22 H24 O8 -","- C88 H96 O32 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0657","0.0465","","0.1134","0.1014","0.1134","","","","","","0.9787","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030225","4.4393","0.0001","7.7069","0.0002","19.5385","0.0005","90","","94.3771","0.0017","90","","666.53","0.03","200","","200","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","0.5","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.046","0.0382","","0.0965","0.0925","0.0965","","","","","","0.9746","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030226","13.1801","0.0006","11.6477","0.0005","13.9929","0.0005","90","","90.152","0.003","90","","2148.15","0.15","200","","200","","","","","","","","local","4","P 1 21/a 1","-P 2yab","14","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0927","0.0534","","0.1366","0.1167","0.1366","","","","","","0.9606","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030227","13.4959","0.0002","7.435","0.0001","24.6097","0.0003","90","","93.1287","0.0008","90","","2465.71","0.06","200","","200","","","","","","","","local","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 -","- C34 H28 -","- C136 H112 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.081","0.0583","","0.1532","0.1392","0.1532","","","","","","0.9678","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030228","7.4676","0.0002","6.9456","0.0001","17.1815","0.0004","90","","102.013","0.0011","90","","871.64","0.03","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0324","0.0304","","0.0816","0.0802","0.0816","","","","","","1.0033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030229","10.3961","0.0002","15.5192","0.0005","16.774","0.0004","90","","91.4837","0.0016","90","","2705.4","0.12","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H30 O12 -","- C28 H30 O12 -","- C112 H120 O48 -","4","1","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.0839","0.0523","","0.1324","0.1174","0.1324","","","","","","0.9748","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030230","18.4241","0.0007","12.7737","0.0005","20.9954","0.0005","90","","113.385","0.002","90","","4535.3","0.3","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C22 H44 Si4 -","- C22 H44 Si4 -","- C132 H264 Si24 -","6","3","","Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Computational and synthetic studies with tetravinylethylenes.","The Journal of organic chemistry","2014","79","23","11496","11507","10.1021/jo5021294","","","0.71073","MoKα","","0.1332","0.0914","","0.2986","0.239","0.2986","","","","","","0.9832","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030233","7.699","0.005","28.969","0.013","8.335","0.005","90","","110.23","0.02","90","","1744.3","1.7","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O S -","- C22 H16 N2 O S -","- C88 H64 N8 O4 S4 -","4","1","","Iwasaki, Masayuki; Kaneshika, Wataru; Tsuchiya, Yuta; Nakajima, Kiyohiko; Nishihara, Yasushi","Palladium-catalyzed peri-selective chalcogenation of naphthylamines with diaryl disulfides and diselenides via C-H bond cleavage.","The Journal of organic chemistry","2014","79","23","11330","11338","10.1021/jo502274t","","","0.71075","MoKa","","0.0922","0.0589","","","0.149","0.1712","","","","","","1.042","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030234","12.037","0.0009","12.9351","0.0009","23.784","0.0018","90","","103.709","0.003","90","","3597.7","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H45 Cl N O10 -","- C38 H45 Cl N O10 -","- C152 H180 Cl4 N4 O40 -","4","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.1604","0.0704","","","0.1029","0.1212","","","","","","0.973","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030235","11.431","0.0011","11.6678","0.0011","14.7274","0.0014","104.737","0.002","95.77","0.002","114.086","0.002","1687.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H46 Br2 N2 O9 -","- C31 H46 Br2 N2 O9 -","- C62 H92 Br4 N4 O18 -","2","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.0947","0.0593","","","0.1646","0.1786","","","","","","1.038","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030236","11.425","0.003","11.981","0.003","12.65","0.003","101.734","0.011","99.896","0.012","109.094","0.011","1548","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H38 Cl2 N2 O14 -","- C29 H38 Cl2 N2 O14 -","- C58 H76 Cl4 N4 O28 -","2","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.2691","0.1233","","","0.2798","0.3272","","","","","","0.925","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030237","35.487","0.002","9.7899","0.0006","18.4307","0.0012","90","","112.139","0.002","90","","5931","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H42 Br2 N2 O9 -","- C25 H42 Br2 N2 O9 -","- C200 H336 Br16 N16 O72 -","8","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.1183","0.0555","","","0.1303","0.1474","","","","","","0.993","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030238","35.2762","0.0012","9.8049","0.0003","18.5204","0.0008","90","","112.254","0.002","90","","5928.7","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H84 Br4 N4 O18 -","- C50 H76 Br4 N4 O18 -","- C200 H304 Br16 N16 O72 -","4","0.5","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.1511","0.0846","","","0.2391","0.2657","","","","","","0.996","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030239","10.316","0.002","15.932","0.003","18.45","0.003","90","","101.066","0.007","90","","2976","0.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Cl2 N2 O14 -","- C25 H36 Cl2 N2 O14 -","- C100 H144 Cl8 N8 O56 -","4","1","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.1856","0.0743","","","0.1736","0.2055","","","","","","0.945","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030240","10.8853","0.0003","16.0031","0.0004","17.3331","0.0005","90","","101.216","0.001","90","","2961.73","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 Cl4 N4 O28 -","- C50 H72 Cl4 N4 O28 -","- C100 H144 Cl8 N8 O56 -","2","0.5","","Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Dmitrieva, Svetlana N.; Strelenko, Yuri A.; Howard, Judith A. K.","Synthesis, structure, and properties of supramolecular photoswitches based on ammonioalkyl derivatives of crown ether styryl dyes.","The Journal of organic chemistry","2014","79","23","11416","11430","10.1021/jo5018074","","","0.71073","MoKα","","0.1016","0.0643","","","0.157","0.1733","","","","","","1.007","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030241","11.1348","0.0005","9.607","0.0004","16.2013","0.0007","90","","109.239","0.0017","90","","1636.29","0.12","230","2","230","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","lk96624","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Kersten, Laura; Harms, Klaus; Hilt, Gerhard","Synthesis of tri-, tetra-, and pentacarbonyl derivatives via ozonolysis of 1,4-dienes and cyclization to polyaromatic systems.","The Journal of organic chemistry","2014","79","23","11661","11673","10.1021/jo502308d","","","0.71073","MoKα","","0.072","0.0463","","","0.1098","0.1236","","","","","","1.029","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030242","18.1968","0.0012","18.4667","0.0011","17.8241","0.0012","90","","107.936","0.002","90","","5698.4","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 O6 -","- C38 H34 O6 -","- C304 H272 O48 -","8","1","","Kersten, Laura; Harms, Klaus; Hilt, Gerhard","Synthesis of tri-, tetra-, and pentacarbonyl derivatives via ozonolysis of 1,4-dienes and cyclization to polyaromatic systems.","The Journal of organic chemistry","2014","79","23","11661","11673","10.1021/jo502308d","","","0.71073","MoKα","","0.1078","0.0665","","","0.1404","0.1619","","","","","","1.057","","","","has coordinates,has disorder","178481","2020-10-21","18:00:00",""
"4030286","16.9222","0.0014","10.4851","0.0008","23.796","0.002","90","","90","","90","","4222.1","0.6","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H22 Br N O3 -","- C24 H22 Br N O3 -","- C192 H176 Br8 N8 O24 -","8","2","","Goswami, Progyashree; Borah, Arun Jyoti; Phukan, Prodeep","Formation of Cyclohepta[b]indole Scaffolds via Heck Cyclization: A Strategy for Structural Analogues of Ervatamine Group of Indole Alkaloid.","The Journal of organic chemistry","2014","80","1","438","","10.1021/jo502443a","","","0.71073","MoKα","","0.0814","0.0549","","","0.1556","0.1861","","","","","","1.071","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030287","13.2694","0.0007","11.5931","0.0006","15.3462","0.0008","90","","108.069","0.003","90","","2244.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 Br2 N O3 -","- C24 H23 Br2 N O3 -","- C96 H92 Br8 N4 O12 -","4","1","","Goswami, Progyashree; Borah, Arun Jyoti; Phukan, Prodeep","Formation of Cyclohepta[b]indole Scaffolds via Heck Cyclization: A Strategy for Structural Analogues of Ervatamine Group of Indole Alkaloid.","The Journal of organic chemistry","2014","80","1","438","","10.1021/jo502443a","","","0.71073","MoKα","","0.0765","0.049","","","0.1445","0.1757","","","","","","1.058","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030288","9.6427","0.001","19.228","0.002","9.9157","0.0011","90","","110.877","0.005","90","","1717.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Br2 N O -","- C19 H15 Br2 N O -","- C76 H60 Br8 N4 O4 -","4","1","","Goswami, Progyashree; Borah, Arun Jyoti; Phukan, Prodeep","Formation of Cyclohepta[b]indole Scaffolds via Heck Cyclization: A Strategy for Structural Analogues of Ervatamine Group of Indole Alkaloid.","The Journal of organic chemistry","2014","80","1","438","","10.1021/jo502443a","","","0.71073","MoKα","","0.0478","0.0337","","","0.0946","0.1155","","","","","","1.17","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030289","7.2241","0.0014","30.833","0.009","32.125","0.01","90","","90","","90","","7156","3","100.01","0.1","100.01","0.1","","","","","","","","3","I 2 2 2","I 2 2","23","","","","- C27 H44.5 O3 -","- C27 H44.5 O3 -","- C216 H356 O24 -","8","1","","Sokolowska, Katarzyna; Carballa, Diego; Seoane, Samuel; Pérez-Fernández, Román; Mouriño, Antonio; Sicinski, Rafal R.","Synthesis and Biological Activity of Two C-7 Methyl Analogues of Vitamin D.","The Journal of organic chemistry","2014","80","1","165","","10.1021/jo502243r","","","0.71073","MoKα","","0.2499","0.1058","","","0.2433","0.3113","","","","","","0.872","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030290","6.6262","0.0011","7.6055","0.0016","16.197","0.002","84.686","0.01","81.539","0.01","65.692","0.008","735.3","0.2","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 O5 -","- C19 H16 O5 -","- C38 H32 O10 -","2","1","","Pasciak, Erick M.; Rittichier, Jonathan T.; Chen, Chun-Hsing; Mubarak, Mohammad S.; VanNieuwenhze, Michael S.; Peters, Dennis G.","Electroreductive Dimerization of Coumarin and Coumarin Analogues at Carbon Cathodes.","The Journal of organic chemistry","2014","80","1","274","","10.1021/jo502272g","","","0.71073","MoKα","","0.1294","0.0751","","0.2806","0.1992","0.2736","","","","","","0.9912","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030291","16.8112","0.0002","4.9796","0.0001","23.1742","0.0003","90","","105.11","0.0015","90","","1872.91","0.05","150","","150","","","","","","","","Research School of Chemistry","3","C 1 2 1","C 2y","5","","","","- C19 H26 O8 -","- C19 H26 O8 -","- C76 H104 O32 -","4","1","","Bolte, Benoit; Basutto, Jose A.; Bryan, Christopher S.; Garson, Mary J.; Banwell, Martin G.; Ward, Jas S.","Modular Total Syntheses of the Marine-Derived Resorcylic Acid Lactones Cochliomycins A and B Using a Late-Stage Nozaki-Hiyama-Kishi Macrocyclization Reaction.","The Journal of organic chemistry","2014","80","1","460","","10.1021/jo5024602","","","1.54184","CuKα","","0.0321","0.0307","","0.0771","0.0759","0.0771","","","","","","1.002","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030292","8.5036","0.0001","26.1166","0.0003","9.3544","0.0001","90","","94.3007","0.0009","90","","2071.62","0.04","150","","150","","","","","","","","Research School of Chemistry","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O7 -","- C22 H28 O7 -","- C88 H112 O28 -","4","2","","Bolte, Benoit; Basutto, Jose A.; Bryan, Christopher S.; Garson, Mary J.; Banwell, Martin G.; Ward, Jas S.","Modular Total Syntheses of the Marine-Derived Resorcylic Acid Lactones Cochliomycins A and B Using a Late-Stage Nozaki-Hiyama-Kishi Macrocyclization Reaction.","The Journal of organic chemistry","2014","80","1","460","","10.1021/jo5024602","","","1.54184","CuKα","","0.0345","0.0325","","0.0841","0.0828","0.0841","","","","","","1.0028","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030293","7.4322","0.0004","22.4492","0.0014","32.2193","0.0019","90","","90","","90","","5375.7","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H44 O5 -","- C31 H44 O5 -","- C248 H352 O40 -","8","2","","Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A.","Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen.","The Journal of organic chemistry","2014","80","1","266","","10.1021/jo502344x","","","0.71073","MoKα","","0.0513","0.0403","","","0.0913","0.0965","","","","","","1.056","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030294","7.0603","0.0009","16.009","0.002","23.988","0.003","90","","90","","90","","2711.3","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H48 O3 -","- C32 H48 O3 -","- C128 H192 O12 -","4","1","","Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A.","Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen.","The Journal of organic chemistry","2014","80","1","266","","10.1021/jo502344x","","","0.71073","MoKα","","0.1009","0.055","","","0.1077","0.1284","","","","","","1.02","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030295","11.9733","0.0004","7.2755","0.0002","31.2394","0.001","90","","98.701","0.001","90","","2690","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H44 O4 -","- C31 H44 O4 -","- C124 H176 O16 -","4","2","","Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A.","Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen.","The Journal of organic chemistry","2014","80","1","266","","10.1021/jo502344x","","","0.71073","MoKα","","0.0341","0.0319","","","0.0854","0.0873","","","","","","1.043","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030296","7.1561","0.0004","15.9743","0.0008","22.9204","0.0011","90","","90","","90","","2620.1","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O3 -","- C31 H46 O3 -","- C124 H184 O12 -","4","1","","Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A.","Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen.","The Journal of organic chemistry","2014","80","1","266","","10.1021/jo502344x","","","0.71073","MoKα","","0.0376","0.0346","","","0.0872","0.0894","","","","","","1.053","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030297","28.65","0.011","4.9547","0.0018","22.409","0.008","90","","97.901","0.013","90","","3151","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H19 Br O4 -","- C16 H19 Br O4 -","- C128 H152 Br8 O32 -","8","2","","Risi, Roberto M.; Maza, Andrew M.; Burke, Steven D.","Asymmetric Hydroformylation-Initiated Tandem Sequences for Syntheses of (+)-Patulolide C, (-)-Pyrenophorol, (+)-Decarestrictine L, and (+)-Prelog Djerassi Lactone.","The Journal of organic chemistry","2014","80","1","204","","10.1021/jo502301k","","x-ray","0.71073","MoKα","K-L~3~","0.0379","0.0305","","","0.0595","0.0616","","","","","","1.021","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030298","11.8197","0.0018","13.799","0.002","14.935","0.002","82.224","0.003","80.254","0.003","78.604","0.003","2340.3","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N2 O5 S -","- C26 H26 N2 O5 S -","- C104 H104 N8 O20 S4 -","4","2","","Subba Reddy, B. V.; Medaboina, Durgaprasad; Sridhar, B.","Stereoselective Synthesis of Hexahydro-1H-spiro[isoquinoline-4,4'-pyran] Scaffolds through an Intramolecular Prins Cascade Process.","The Journal of organic chemistry","2014","80","1","653","","10.1021/jo5023926","","","0.71073","MoKα","","0.0978","0.0699","","","0.1815","0.2037","","","","","","1.023","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030299","8.9351","0.0003","10.5522","0.0003","14.2075","0.0004","91.2659","0.0009","104.146","0.0014","104.655","0.0014","1251.64","0.07","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","6-methyl-10-oxo-11,11-diphenyl-4,4a,10,11-tetrahydro- 9H-9-aza-11b-azoniabenzo[de]fluorene bromide","","- C29 H26 Br N3 O -","- C29 H26 Br N3 O -","- C58 H52 Br2 N6 O2 -","2","1","","Palkó, Roberta; Egyed, Orsolya; Rokob, Tibor András; Bombicz, Petra; Riedl, Zsuzsanna; Hajós, György","Transformation of Zwitterionic Pyridine Derivatives to a Spiro-Fused Ring System: Azoniabenzo[de]fluorine. Synthesis and Mechanistic Rationalization.","The Journal of organic chemistry","2014","80","1","174","","10.1021/jo5022663","","","0.71073","MoKα","","0.0384","0.0327","","","0.081","0.0839","","","","","","1.027","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030300","16.33","0.02","20.33","0.03","14.711","0.019","90","","99.3","0.02","90","","4820","11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1a in manuscript","","","- C48 H56 N2 Si2 -","- C51 H56 N2 Si2 -","- C204 H224 N8 Si8 -","4","1","","Biegger, Philipp; Stolz, Sebastian; Intorp, Sebastian N.; Zhang, Yexiang; Engelhart, Jens U.; Rominger, Frank; Hardcastle, Kenneth I.; Lemmer, Uli; Qian, Xuhong; Hamburger, Manuel; Bunz, U. H. F.","Soluble Diazaiptycenes: Materials for Solution-Processed Organic Electronics.","The Journal of organic chemistry","2014","80","1","582","","10.1021/jo502564w","","","0.71073","MoKα","","0.1998","0.1369","","","0.3663","0.4113","","","","","","1.415","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030301","7.5797","0.0017","17.349","0.003","26.474","0.004","103.24","0.015","98.052","0.015","93.741","0.015","3338.2","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H48 N2 Si2 -","- C34 H48 N2 Si2 -","- C136 H192 N8 Si8 -","4","2","","Biegger, Philipp; Stolz, Sebastian; Intorp, Sebastian N.; Zhang, Yexiang; Engelhart, Jens U.; Rominger, Frank; Hardcastle, Kenneth I.; Lemmer, Uli; Qian, Xuhong; Hamburger, Manuel; Bunz, U. H. F.","Soluble Diazaiptycenes: Materials for Solution-Processed Organic Electronics.","The Journal of organic chemistry","2014","80","1","582","","10.1021/jo502564w","","","1.54178","CuKα","","0.2515","0.093","","","0.162","0.2187","","","","","","1.008","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030302","22.9995","0.0008","5.0912","0.0002","12.9419","0.0005","90","","95.103","0.003","90","","1509.43","0.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Achar, Tapas Kumar; Mal, Prasenjit","Radical-Induced Metal and Solvent-Free Cross-Coupling Using TBAI-TBHP: Oxidative Amidation of Aldehydes and Alcohols with N-Chloramines via C-H Activation.","The Journal of organic chemistry","2014","80","1","666","","10.1021/jo502464n","","","0.71073","MoKα","","0.0576","0.0399","","","0.097","0.109","","","","","","1.016","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030303","5.7438","0.0003","18.2969","0.001","15.3844","0.0008","90","","90.528","0.004","90","","1616.74","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Achar, Tapas Kumar; Mal, Prasenjit","Radical-Induced Metal and Solvent-Free Cross-Coupling Using TBAI-TBHP: Oxidative Amidation of Aldehydes and Alcohols with N-Chloramines via C-H Activation.","The Journal of organic chemistry","2014","80","1","666","","10.1021/jo502464n","","","0.71073","MoKα","","0.0779","0.0438","","","0.0969","0.1122","","","","","","1.021","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030304","17.6618","0.0008","17.4368","0.0007","13.5068","0.0005","90","","96.873","0.002","90","","4129.7","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46.4 H47.2 Br2 Cl0.8 N6 O8.2 -","- C46.4029 H47.1938 Br2 Cl0.806 N6 O8.194 -","- C185.612 H188.775 Br8 Cl3.224 N24 O32.776 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0953","0.0585","","","0.0955","0.0967","","","","","","3.308","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030305","9.5308","0.0008","9.7901","0.0009","13.8253","0.0012","90","","100.914","0.002","90","","1266.67","0.19","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H30 N2 O7 S -","- C27 H30 N2 O7 S -","- C54 H60 N4 O14 S2 -","2","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0487","0.0412","","","0.0772","0.0785","","","","","","1.413","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030306","8.0482","0.0004","14.1277","0.0008","15.3665","0.0008","99.073","0.002","94.101","0.003","91.448","0.002","1719.75","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H45 Br N2 O6 Si -","- C34 H45 Br N2 O6 Si -","- C68 H90 Br2 N4 O12 Si2 -","2","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0754","0.0402","","","0.0805","0.0892","","","","","","1.117","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030307","17.6754","0.0007","11.5184","0.0005","22.3282","0.0009","90","","110.488","0.002","90","","4258.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H39 F3 N6 O11 S2 -","- C42 H39 F3 N6 O11 S2 -","- C168 H156 F12 N24 O44 S8 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0994","0.061","","","0.1142","0.122","","","","","","1.647","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030308","7.5798","0.0003","30.0522","0.0012","8.3663","0.0003","90","","103.61","0.0019","90","","1852.24","0.12","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O5 -","- C22 H20 N2 O5 -","- C88 H80 N8 O20 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.07","0.0491","","","0.1139","0.1189","","","","","","1.633","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030309","8.932","0.0003","27.1836","0.001","9.0145","0.0003","90","","107.683","0.002","90","","2085.34","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Br N3 O4 -","- C23 H24 Br N3 O4 -","- C92 H96 Br4 N12 O16 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0694","0.047","","","0.0646","0.0654","","","","","","2.528","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030310","15.5078","0.0013","11.2221","0.001","18.4268","0.0016","90","","94.725","0.001","90","","3195.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 N3 O4 S2 -","- C37 H39 N3 O4 S2 -","- C148 H156 N12 O16 S8 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0982","0.0531","","","0.0888","0.0932","","","","","","1.394","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030311","9.1581","0.0002","12.6857","0.0003","16.703","0.0003","90","","90","","90","","1940.5","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br N2 O5 -","- C22 H19 Br N2 O5 -","- C88 H76 Br4 N8 O20 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0337","0.0252","","","0.0489","0.05","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030312","13.243","0.002","14.115","0.002","25.059","0.004","90","","90","","90","","4684.2","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N4 O5 S -","- C26 H22 N4 O5 S -","- C208 H176 N32 O40 S8 -","8","2","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.2168","0.1085","","","0.1814","0.2078","","","","","","1.294","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030313","10.9264","0.0005","12.1779","0.0006","14.2739","0.0007","73.033","0.001","67.662","0.001","67.376","0.001","1597.82","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H27 Cl F3 N7 O6 S -","- C33 H27 Cl F3 N7 O6 S -","- C66 H54 Cl2 F6 N14 O12 S2 -","2","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.069","0.0454","","","0.0773","0.0795","","","","","","1.637","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030314","7.5873","0.0009","8.0869","0.0012","10.0489","0.0009","102.73","0.01","96.588","0.009","117.756","0.013","515.07","0.14","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C24 H20 O8 -","2","1","","Zhang, Mingliang; Zhang, Hui-Jun; Han, Tiantian; Ruan, Wenqing; Wen, Ting-Bin","Rh(III)-Catalyzed Oxidative Coupling of Benzoic Acids with Geminal-Substituted Vinyl Acetates: Synthesis of 3-Substituted Isocoumarins.","The Journal of organic chemistry","2014","80","1","620","","10.1021/jo502231y","","","0.71073","MoKα","","0.0619","0.0517","","","0.14","0.147","","","","","","1.04","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030315","13.5133","0.0016","13.5483","0.0008","9.6825","0.0005","90","","92.293","0.007","90","","1771.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Br N2 O3 -","- C18 H17 Br N2 O4 -","- C72 H68 Br4 N8 O16 -","4","1","","Singh, Radhey Mohan; Bharadwaj, Kishor Chandra; Tiwari, Dharmendra Kumar","Morita-Baylis-Hillman reaction of acrylamide with isatin derivatives.","Beilstein journal of organic chemistry","2014","10","","2975","2980","10.3762/bjoc.10.315","","","0.71073","MoKα","","0.2039","0.0639","","","0.106","0.1475","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030316","9.2564","0.0003","11.0884","0.0004","11.8407","0.0004","90","","93.789","0.0019","90","","1212.66","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-(((3aR,7aR)-1,3-diisopropyl-2-oxidohexahydro-1H-benzo[d][1,3,2] diazaphosphol-2(3H)-yl)amino)-1-morhpolino-2-phenylethanone","","- C24 H39 N4 O3 P -","- C24 H39 N4 O3 P -","- C48 H78 N8 O6 P2 -","2","1","","Seifert, Cole W.; Pindi, Suresh; Li, Guigen","Asymmetric Carbamoyl Anion Additions to Chiral N-Phosphonyl Imines via the GAP Chemistry Process and Stereoselectivity Enrichments.","The Journal of organic chemistry","2014","80","1","447","","10.1021/jo5024443","","","0.71073","MoKα","","0.0316","0.0296","","","0.0707","0.0718","","","","","","1.055","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030317","9.4842","0.0005","13.6912","0.0007","14.0603","0.0006","90","","90","","90","","1825.73","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O4 S -","- C18 H18 N2 O4 S -","- C72 H72 N8 O16 S4 -","4","1","","Avila, Eloah P.; Justo, Rodrigo M. S.; Gonçalves, Vanessa P; Pereira, Adriane A.; Diniz, Renata; Amarante, Giovanni W.","Chiral Brønsted Acid-Catalyzed Stereoselective Mannich-Type Reaction of Azlactones with Aldimines.","The Journal of organic chemistry","2014","80","1","590","","10.1021/jo5024975","","","0.71073","MoKα","","0.0843","0.0458","","","0.0819","0.0955","","","","","","1.015","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030318","6.2791","0.0013","9.689","0.0019","17.74","0.004","79.89","0.03","87.19","0.03","81.26","0.03","1049.9","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","2","","Modak, Atanu; Rana, Sujoy; Maiti, Debabrata","Iron-Catalyzed Regioselective Direct Arylation at the C-3 Position of N-Alkyl-2-pyridone.","The Journal of organic chemistry","2014","80","1","296","","10.1021/jo502362k","","","0.71073","MoKα","","0.0618","0.0486","","","0.1552","0.187","","","","","","1.203","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030319","6.514","0.004","12.217","0.008","13.374","0.009","90","","92.8","0.011","90","","1063.1","1.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Modak, Atanu; Rana, Sujoy; Maiti, Debabrata","Iron-Catalyzed Regioselective Direct Arylation at the C-3 Position of N-Alkyl-2-pyridone.","The Journal of organic chemistry","2014","80","1","296","","10.1021/jo502362k","","","0.71075","MoKα","","0.0792","0.0625","","","0.1902","0.1997","","","","","","1.078","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030320","8.574","0.003","13.462","0.004","21.063","0.006","90","","99.394","0.003","90","","2398.6","1.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Br4 O8 -","- C24 H16 Br4 O8 -","- C96 H64 Br16 O32 -","4","1","","Boukouvalas, John; Thibault, Charles","Step-Economical Synthesis of the Marine Ascidian Antibiotics Cadiolide A, B, and D.","The Journal of organic chemistry","2014","80","1","681","","10.1021/jo502503w","","","0.71073","MoKα","","0.0862","0.0466","","","0.1015","0.1194","","","","","","1.028","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030321","6.4713","0.0002","6.9416","0.0002","11.6404","0.0004","90","","101.765","0.002","90","","511.92","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound_1a","gene191","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C20 H26 N2 O4 S2 -","2","1","","Fauber, Benjamin P.; Clagg, Kyle; Gibbons, Paul; Rene, Olivier","An Experimental and Computational Study of the Diastereoselective Alkylations of 3-Substituted gamma-Sultams.","The Journal of organic chemistry","2014","80","1","685","","10.1021/jo502506j","","","1.54178","CuKα","","0.0297","0.0294","","","0.0777","0.078","","","","","","1.063","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4030322","11.4904","0.0003","9.23","0.0002","11.485","0.0003","90","","106.486","0.0015","90","","1167.98","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-thiosaccharyl-1-methyltetrazole","1,2-benzisothiazole 1,1-dioxo 3-(5-thio-1-methyl) tetrazole","","- C9 H7 N5 O2 S2 -","- C9 H7 N5 O2 S2 -","- C36 H28 N20 O8 S8 -","4","1","","Ismael, A.; Borba, A.; Henriques, M. S. C.; Paixão, J A; Fausto, R.; Cristiano, M. L. S.","Structure and Photochemistry of a Saccharyl Thiotetrazole.","The Journal of organic chemistry","2014","80","1","392","","10.1021/jo502419u","","","0.71073","MoKα","","0.0598","0.0372","","","0.0914","0.103","","","","","","1.022","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030323","6.9301","0.0005","15.6506","0.0012","22.801","0.0018","90","","90","","90","","2473","0.3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N3 O4 -","- C19 H25 N3 O4 -","- C76 H100 N12 O16 -","4","1","","Crouillebois, Laurence; Pantaine, Loïc; Marrot, Jérôme; Coeffard, Vincent; Moreau, Xavier; Greck, Christine","Solvent- and Catalyst-Free Synthesis of Nitrogen-Containing Bicycles through Hemiaminal Formation/Diastereoselective Hetero-Diels-Alder Reaction with Diazenes.","The Journal of organic chemistry","2014","80","1","595","","10.1021/jo502087a","","","0.71073","MoKα","","0.1195","0.0872","","","0.2445","0.2656","","","","","","1.082","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030324","12.5026","0.0004","13.2431","0.0003","12.5514","0.0004","90","","99.25","0.003","90","","2051.15","0.11","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C26 H20 N2 O3 -","- C26 H20 N2 O3 -","- C104 H80 N8 O12 -","4","1","","Novikov, Mikhail S.; Khlebnikov, Alexander F.; Rostovskii, Nikolai V.; Tcyrulnikov, Sergei; Suhanova, Anna A.; Zavyalov, Kirill V.; Yufit, Dmitry S.","Pseudopericyclic 1,5- versus Pericyclic 1,4- and 1,6-Electrocyclization in Electron-Poor 4-Aryl-2-azabuta-1,3-dienes: Indole Synthesis from 2H-Azirines and Diazo Compounds.","The Journal of organic chemistry","2014","80","1","18","","10.1021/jo501051n","","","0.71073","MoKα","","0.054","0.0401","","","0.0864","0.0939","","","","","","1.057","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030325","15.8984","0.0004","12.9658","0.0003","19.5357","0.0005","90","","90","","90","","4027","0.17","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 2-(2,3-diphenyl-1H-indol-1-yl)malonate","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C200 H168 N8 O32 -","8","1","","Novikov, Mikhail S.; Khlebnikov, Alexander F.; Rostovskii, Nikolai V.; Tcyrulnikov, Sergei; Suhanova, Anna A.; Zavyalov, Kirill V.; Yufit, Dmitry S.","Pseudopericyclic 1,5- versus Pericyclic 1,4- and 1,6-Electrocyclization in Electron-Poor 4-Aryl-2-azabuta-1,3-dienes: Indole Synthesis from 2H-Azirines and Diazo Compounds.","The Journal of organic chemistry","2014","80","1","18","","10.1021/jo501051n","","","0.71073","MoKα","","0.0766","0.0414","","","0.0883","0.1109","","","","","","1.06","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030326","8.637","0.003","10.927","0.004","26.065","0.01","90","","90","","90","","2459.9","1.6","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 N O2 P -","- C25 H42 N O2 P -","- C100 H168 N4 O8 P4 -","4","1","","Zhao, Yalei; Chen, Xiuling; Chen, Tieqiao; Zhou, Yongbo; Yin, Shuang-Feng; Han, Li-Biao","Catalyst-Free and Selective C-N Bond Functionalization: Stereospecific Three-Component Coupling of Amines, Dichloromethane, and >P(O)H Species Affording α-Aminophosphorus Compounds.","The Journal of organic chemistry","2014","80","1","62","","10.1021/jo501961h","","","0.71073","MoKα","","0.03","0.0285","","","0.076","0.0771","","","","","","1.035","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030327","13.407","0.001","15.6938","0.001","8.8651","0.0005","90","","90","","90","","1865.3","0.2","180","0.1","180","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Xia, Ying; Liu, Zhen; Feng, Sheng; Zhang, Yan; Wang, Jianbo","Ir(III)-Catalyzed Aromatic C-H Bond Functionalization via Metal Carbene Migratory Insertion.","The Journal of organic chemistry","2014","80","1","223","","10.1021/jo5023102","","","0.7107","MoKα","","0.0559","0.042","","","0.0849","0.092","","","","","","1.06","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030328","17.6047","0.0009","17.8743","0.001","9.7826","0.0005","90","","100.979","0.005","90","","3022","0.3","180","0.1","180","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C112 H144 N16 O40 -","8","2","","Xia, Ying; Liu, Zhen; Feng, Sheng; Zhang, Yan; Wang, Jianbo","Ir(III)-Catalyzed Aromatic C-H Bond Functionalization via Metal Carbene Migratory Insertion.","The Journal of organic chemistry","2014","80","1","223","","10.1021/jo5023102","","","0.7107","MoKα","","0.0862","0.0524","","","0.1106","0.1277","","","","","","1.085","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030329","17.4149","0.0012","9.7931","0.0004","20.91","0.0011","90","","113","0.007","90","","3282.6","0.4","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C128 H168 N8 O40 -","8","2","","Xia, Ying; Liu, Zhen; Feng, Sheng; Zhang, Yan; Wang, Jianbo","Ir(III)-Catalyzed Aromatic C-H Bond Functionalization via Metal Carbene Migratory Insertion.","The Journal of organic chemistry","2014","80","1","223","","10.1021/jo5023102","","","0.7107","MoKα","","0.0862","0.051","","","0.1089","0.1265","","","","","","1.029","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030330","20.8235","0.0004","7.2405","0.0001","24.6478","0.0004","90","","90","","90","","3716.21","0.11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Cl N O3 -","- C21 H20 Cl N O3 -","- C168 H160 Cl8 N8 O24 -","8","1","","Wang, Long; Ren, Zhi-Lin; Ding, Ming-Wu","Synthesis of 2,3-Dihydro-1H-2-benzazepin-1-ones and 3H-2-Benzoxepin-1-ones by Isocyanide-Based Multicomponent Reaction/Wittig Sequence Starting from Phosphonium Salt Precursors.","The Journal of organic chemistry","2014","80","1","641","","10.1021/jo502275f","","","1.54178","CuKα","","0.0359","0.0341","","","0.0897","0.0913","","","","","","1.119","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030331","12.90894","0.00019","15.8188","0.0002","12.3797","0.0002","90","","110.438","0.0018","90","","2368.85","0.07","100","2","99.98","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diisopropyl (1-((4-methylphenyl)sulfonamido)-2-nitro-1-phenylethyl)phosphonate","","- C21 H29 N2 O7 P S -","- C21 H29 N2 O7 P S -","- C84 H116 N8 O28 P4 S4 -","4","1","","Vicario, Javier; Ortiz, Pablo; Ezpeleta, José M; Palacios, Francisco","Asymmetric Synthesis of Functionalized Tetrasubstituted α-Aminophosphonates through Enantioselective Aza-Henry Reaction of Phosphorylated Ketimines.","The Journal of organic chemistry","2014","80","1","156","","10.1021/jo502233m","","","1.5418","CuKα","","0.0429","0.0383","","","0.134","0.1397","","","","","","1.186","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030332","9.0361","0.0018","9.7342","0.0019","10.511","0.002","83.842","0.004","69.579","0.004","68.224","0.004","804.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C40 H30 N6 O2 -","2","1","","Yang, Weiguang; Qiao, Rui; Chen, Jiuxi; Huang, Xiaobo; Liu, Miaochang; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Palladium-Catalyzed Cascade Reaction of 2-Amino-N'-arylbenzohydrazides with Triethyl Orthobenzoates To Construct Indazolo[3,2-b]quinazolinones.","The Journal of organic chemistry","2014","80","1","482","","10.1021/jo5024848","","","0.71073","MoKα","","0.0722","0.049","","","0.1564","0.1906","","","","","","1.094","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030333","10.534","0.002","18.887","0.004","8.1159","0.0019","90","","108.767","0.003","90","","1528.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N3 O -","- C20 H14 N3 O -","- C80 H56 N12 O4 -","4","1","","Yang, Weiguang; Qiao, Rui; Chen, Jiuxi; Huang, Xiaobo; Liu, Miaochang; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Palladium-Catalyzed Cascade Reaction of 2-Amino-N'-arylbenzohydrazides with Triethyl Orthobenzoates To Construct Indazolo[3,2-b]quinazolinones.","The Journal of organic chemistry","2014","80","1","482","","10.1021/jo5024848","","","0.71073","MoKα","","0.0738","0.0473","","","0.1291","0.1485","","","","","","1.061","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030334","8.5949","0.0004","12.6279","0.0006","17.9523","0.001","90","","95.417","0.005","90","","1939.76","0.17","291","2","291","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Zuo, Jian; Wu, Zhi-Jun; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Preparation of 3-Sulfonylated 3,3-Disubstituted Oxindoles by the Addition of Sulfinate Salts to 3-Halooxindoles.","The Journal of organic chemistry","2014","80","1","634","","10.1021/jo502270a","","","1.54184","CuKα","","0.0742","0.0626","","","0.1683","0.181","","","","","","1.085","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030335","25.5426","0.0004","25.5426","0.0004","4.6785","0.0001","90","","90","","90","","3052.37","0.09","291","2","291","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C128 H144 N16 O32 -","8","1","","Li, Dan-Dan; Li, Zhong-Yuan; Wang, Guan-Wu","Catalyst-Free Approach to Construct C-C Bond Initiated by N-O Bond Cleavage under Thermal Conditions.","The Journal of organic chemistry","2014","80","1","190","","10.1021/jo502287y","","","1.54184","CuKα","","0.065","0.0515","","","0.14","0.1534","","","","","","1.04","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030336","15.7682","0.0003","15.6424","0.0003","16.4914","0.0004","90","","119.547","0.0007","90","","3538.66","0.13","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 Cl3 N6 O4 Pd2 -","- C37 H27 Cl3 N6 O4 Pd2 -","- C148 H108 Cl12 N24 O16 Pd8 -","4","1","","Qiu, Renhua; Reddy, Vutukuri Prakash; Iwasaki, Takanori; Kambe, Nobuaki","The Palladium-Catalyzed Intermolecular C-H Chalcogenation of Arenes.","The Journal of organic chemistry","2014","80","1","367","","10.1021/jo502402d","","","0.71075","MoKα","","","0.0286","","","","0.0706","","","","","","1.055","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030342","11.9769","0.0012","6.797","0.0007","19.8608","0.0019","90","","90.491","0.002","90","","1616.7","0.3","186","2","186","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 S -","- C20 H14 N4 S -","- C80 H56 N16 S4 -","4","1","","Samanta, Debabrata; Rana, Anup; Bats, Jan W.; Schmittel, Michael","A one-pot multistep cyclization yielding thiadiazoloimidazole derivatives","Beilstein Journal of Organic Chemistry","2014","10","","2989","","10.3762/bjoc.10.317","","","0.71073","MoKα","","0.1359","0.0729","","","0.1319","0.1535","","","","","","1.043","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030367","25.595","0.006","9.572","0.002","25.369","0.006","90","","97.71","0.004","90","","6159","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 N6 O -","- C44 H26 N6 O -","- C352 H208 N48 O8 -","8","2","","Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian","Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes.","The Journal of organic chemistry","2014","80","1","499","","10.1021/jo502511j","","","0.71073","MoKα","","0.1525","0.0688","","","0.1327","0.156","","","","","","1.017","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030368","30.029","0.018","14.388","0.009","32.622","0.019","90","","111.519","0.009","90","","13112","14","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C89.674 H53.935 Cl0.413 N10 Ni2 O4 -","- C89.674 H53.935 Cl0.413 N10 Ni2 O4 -","- C717.392 H431.48 Cl3.304 N80 Ni16 O32 -","8","1","","Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian","Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes.","The Journal of organic chemistry","2014","80","1","499","","10.1021/jo502511j","","","0.71073","MoKα","","0.1822","0.0652","","","0.1148","0.1445","","","","","","0.95","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030369","15.424","0.002","15.424","0.002","13.692","0.004","90","","90","","90","","3257.3","1.1","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44 H27 N5 Ni O2 -","- C44 H27 N5 Ni O2 -","- C176 H108 N20 Ni4 O8 -","4","0.25","","Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian","Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes.","The Journal of organic chemistry","2014","80","1","499","","10.1021/jo502511j","","","0.71073","MoKα","","0.1318","0.0504","","","0.1189","0.1478","","","","","","1.012","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030370","14.6776","0.0005","7.0794","0.0002","32.3824","0.0011","90","","91.906","0.0013","90","","3362.95","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.13 H28.86 Cl0.68 N6 Pd -","- C46.129 H28.855 Cl0.676 N6 Pd -","- C184.516 H115.42 Cl2.704 N24 Pd4 -","4","1","","Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian","Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes.","The Journal of organic chemistry","2014","80","1","499","","10.1021/jo502511j","","","1.54178","CuKα","","0.0355","0.0333","","","0.0786","0.0799","","","","","","1.105","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030371","8.0113","0.0003","34.7315","0.0011","8.13","0.0003","90","","114.014","0.002","90","","2066.33","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 O6 -","- C24 H16 N2 O6 -","- C96 H64 N8 O24 -","4","1","","Xia, Xiao-Feng; Gu, Zhen; Liu, Wentao; Wang, Haijun; Xia, Yongmei; Gao, Haiyan; Liu, Xiang; Liang, Yong-Min","Metal-Free Three-Component Oxyazidation of Alkenes with Trimethylsilyl Azide and N-Hydroxyphthalimide.","The Journal of organic chemistry","2014","80","1","290","","10.1021/jo502327r","","","0.71073","MoKα","","0.061","0.044","","","0.1191","0.1369","","","","","","1.124","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4030372","8.4068","0.0005","11.7148","0.0006","24.5654","0.0014","90","","90","","90","","2419.3","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N0 O2 -","- C14 H18 O2 -","- C112 H144 O16 -","8","1","","Shen, Mengmeng; Tu, Yawei; Xie, Guanqun; Niu, Qingsheng; Mao, Hui; Xie, Tingting; Flowers, 2nd, Robert A; Lv, Xin; Wang, Xiaoxia","Allylsamarium Bromide-Mediated Cascade Cyclization of Homoallylic Esters. Synthesis of 2-(2-Hydroxyalkyl)cyclopropanols and 2-(2-Hydroxyethyl)bicyclo[2.1.1]hexan-1-ols.","The Journal of organic chemistry","2014","80","1","52","","10.1021/jo501797w","","","0.71073","MoKα","","","0.0449","","","0.1327","0.1577","","","","","","0.815","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030373","10.7708","0.0019","16.326","0.003","7.5417","0.0013","90","","107.601","0.003","90","","1264.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Zhu, Yuequan; Gong, Yuefa","Construction of 2-Pyrone Skeleton via Domino Sequence between 2-Acyl-1-Chlorocyclopropanecarboxylate and Amines.","The Journal of organic chemistry","2014","80","1","490","","10.1021/jo502502z","","","0.71073","MoKα","","0.047","0.0399","","","0.1119","0.1196","","","","","","1.045","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030374","11.9905","0.0002","8.82516","0.00014","34.0165","0.0006","90","","90","","90","","3599.56","0.1","291","2","291.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H16 O3 -","- C23 H16 O3 -","- C184 H128 O24 -","8","1","","Mi, Xia; Wang, Chenyang; Huang, Mengmeng; Wu, Yusheng; Wu, Yangjie","Preparation of 3-Acyl-4-arylcoumarins via Metal-Free Tandem Oxidative Acylation/Cyclization between Alkynoates with Aldehydes.","The Journal of organic chemistry","2014","80","1","148","","10.1021/jo502220b","","","1.54184","CuKα","","0.0614","0.0524","","","0.1514","0.1597","","","","","","1.085","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030375","6.2999","0.0011","7.7215","0.0012","14.823","0.002","90","","95.614","0.013","90","","717.6","0.19","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H24 N2 O -","- C14 H24 N2 O -","- C28 H48 N4 O2 -","2","1","","Feder-Kubis, Joanna; Szefczyk, Borys; Kubicki, Maciej","Symmetrical Imidazolium Chloride Based on (-)-Menthol: Synthesis, Characterization, and Theoretical Model of the Reaction.","The Journal of organic chemistry","2014","80","1","237","","10.1021/jo502317m","","","0.71073","MoKα","","0.0521","0.0474","","","0.1187","0.1226","","","","","","1.101","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030376","7.9","0.003","11.409","0.004","11.512","0.004","63.212","0.005","86.744","0.006","79.229","0.006","909.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Cl N2 O2 S3 -","- C16 H15 Cl N2 O2 S3 -","- C32 H30 Cl2 N4 O4 S6 -","2","1","","Fuertes, Pedro; García-Valverde, María; Pascual, Ricardo; Rodríguez, Teresa; Rojo, Josefa; García-Calvo, José; Calvo, Patricia; Cuevas, José V; García-Herbosa, Gabriel; Torroba, Tomás","Structural Conformers of (1,3-Dithiol-2-ylidene)ethanethioamides: The Balance between Thioamide Rotation and Preservation of Classical Sulfur-Sulfur Hypervalent Bonds.","The Journal of organic chemistry","2014","80","1","30","","10.1021/jo501473z","","","0.71073","MoKα","","0.0424","0.0372","","","0.1082","0.1108","","","","","","1.082","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030377","16.942","0.002","14.3803","0.0018","37.907","0.005","90","","101.603","0.003","90","","9047","2","566","2","566","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N3 O6 S3 -","- C28 H33 N3 O6 S3 -","- C336 H396 N36 O72 S36 -","12","3","","Fuertes, Pedro; García-Valverde, María; Pascual, Ricardo; Rodríguez, Teresa; Rojo, Josefa; García-Calvo, José; Calvo, Patricia; Cuevas, José V; García-Herbosa, Gabriel; Torroba, Tomás","Structural Conformers of (1,3-Dithiol-2-ylidene)ethanethioamides: The Balance between Thioamide Rotation and Preservation of Classical Sulfur-Sulfur Hypervalent Bonds.","The Journal of organic chemistry","2014","80","1","30","","10.1021/jo501473z","","","0.71073","MoKα","","0.1545","0.0708","","","0.1894","0.2262","","","","","","0.922","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030378","17.173","0.002","12.1653","0.0013","22.267","0.002","90","","110.548","0.005","90","","4355.9","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H54.91 B4 O8 -","- C41 H54.9098 B4 O8 -","- C164 H219.639 B16 O32 -","4","1","","Ji, Lei; Fucke, Katharina; Bose, Shubhankar Kumar; Marder, Todd B.","Iridium-Catalyzed Borylation of Pyrene: Irreversibility and the Influence of Ligand on Selectivity.","The Journal of organic chemistry","2014","80","1","661","","10.1021/jo5024014","","x-ray","0.71073","MoKα","K-L~3~","0.2645","0.1138","","","","0.4176","","","","","","1.1357","","","","has coordinates,has disorder","178482","2020-10-21","18:00:00",""
"4030379","11.952","0.003","11.32","0.003","15.039","0.003","90","","106.308","0.007","90","","1952.9","0.8","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 B4 O8 -","- C40 H54 B4 O8 -","- C80 H108 B8 O16 -","2","0.5","","Ji, Lei; Fucke, Katharina; Bose, Shubhankar Kumar; Marder, Todd B.","Iridium-Catalyzed Borylation of Pyrene: Irreversibility and the Influence of Ligand on Selectivity.","The Journal of organic chemistry","2014","80","1","661","","10.1021/jo5024014","","x-ray","0.71073","MoKα","K-L~3~","0.1214","0.0768","","","","0.2476","","","","","","1.0485","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030380","7.1439","0.0008","13.6155","0.0016","11.9858","0.0014","90","","105.574","0.002","90","","1123","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 I N5 -","- C9 H12 I N5 -","- C36 H48 I4 N20 -","4","1","","Chernyshev, Victor M.; Vlasova, Anna G.; Astakhov, Alexander V.; Shishkina, Svitlana V.; Shishkin, Oleg V.","Reactivity of C-Amino-1,2,4-triazoles toward Electrophiles: A Combined Computational and Experimental Study of Alkylation by Halogen Alkanes.","The Journal of organic chemistry","2014","80","1","375","","10.1021/jo502405q","","","0.71073","MoKα","","0.0247","0.024","","","0.0604","0.061","","","","","","1.002","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030381","10.8441","0.0005","15.1145","0.0006","18.7318","0.0008","90","","94.449","0.001","90","","3060.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br N5 -","- C15 H16 Br N5 -","- C120 H128 Br8 N40 -","8","2","","Chernyshev, Victor M.; Vlasova, Anna G.; Astakhov, Alexander V.; Shishkina, Svitlana V.; Shishkin, Oleg V.","Reactivity of C-Amino-1,2,4-triazoles toward Electrophiles: A Combined Computational and Experimental Study of Alkylation by Halogen Alkanes.","The Journal of organic chemistry","2014","80","1","375","","10.1021/jo502405q","","","0.71073","MoKα","","0.0441","0.0305","","","0.0686","0.0739","","","","","","1.018","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030386","13.628","0.0008","13.8452","0.0007","12.256","0.0007","90","","113.57","0.0019","90","","2119.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Br Cl2 O3 -","- C24 H19 Br Cl2 O3 -","- C96 H76 Br4 Cl8 O12 -","4","1","","Zhao, Yi; Wong, Ying-Chieh; Yeung, Ying-Yeung","An Unexpected 2,3-Dihydrofuran Derivative Ring Opening Initiated by Electrophilic Bromination: Scope and Mechanistic Study.","The Journal of organic chemistry","2014","80","1","453","","10.1021/jo502453f","","","0.71073","MoKα","","0.0318","0.025","","","0.0564","0.0588","","","","","","1.031","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030387","7.3188","0.0007","21.396","0.002","22.175","0.002","90","","90","","90","","3472.5","0.6","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H35 Br N2 O7 -","- C41 H35 Br N2 O7 -","- C164 H140 Br4 N8 O28 -","4","1","","Wang, Cong-Shuai; Zhu, Ren-Yi; Zheng, Jian; Shi, Feng; Tu, Shu-Jiang","Enantioselective Construction of Spiro[indoline-3,2'-pyrrole] Framework via Catalytic Asymmetric 1,3-Dipolar Cycloadditions Using Allenes as Equivalents of Alkynes.","The Journal of organic chemistry","2014","80","1","512","","10.1021/jo502516e","","","0.71073","MoKα","","0.17","0.062","","","0.1046","0.1354","","","","","","0.967","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030394","22.496","0.005","10.716","0.002","11.564","0.002","90","","99.96","0.03","90","","2745.7","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N6 O2 -","- C24 H18 N6 O2 -","- C96 H72 N24 O8 -","4","0.5","","Niu, Pengfei; Kang, Jinfeng; Tian, Xianhai; Song, Lina; Liu, Hongxu; Wu, Jie; Yu, Wenquan; Chang, Junbiao","Synthesis of 2-Amino-1,3,4-oxadiazoles and 2-Amino-1,3,4-thiadiazoles via Sequential Condensation and I2-Mediated Oxidative C-O/C-S Bond Formation.","The Journal of organic chemistry","2014","80","2","1018","","10.1021/jo502518c","","","0.71073","MoKα","","0.1768","0.1681","","","0.4836","0.49","","","","","","2.01","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030395","16.357","0.0004","7.6543","0.0001","19.7358","0.0005","90","","113.449","0.003","90","","2266.89","0.1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C112 H96 O20 -","4","1","","Rivero, Alexandra R.; Fernández, Israel; Ramírez de Arellano, Carmen; Sierra, Miguel A.","Synthesis of Oxaspiranic Compounds through [3 + 2] Annulation of Cyclopropenones and Donor-Acceptor Cyclopropanes.","The Journal of organic chemistry","2014","80","2","1207","","10.1021/jo502292y","","","0.71073","MoKα","","0.0678","0.0491","","","0.1169","0.1298","","","","","","1.03","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030400","7.2974","0.0014","8.3147","0.0015","9.969","0.0019","75.788","0.003","83.489","0.003","89.109","0.004","582.53","0.19","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","1","1","","Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M.","Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol.","The Journal of organic chemistry","2014","80","2","1116","","10.1021/jo5026404","","","0.71073","MoKα","","0.132","0.0816","","","0.1779","0.1987","","","","","","1.132","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030401","6.231","0.003","10.287","0.005","12.24","0.006","88.818","0.009","79.149","0.01","89.56","0.009","770.4","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N2 O -","- C16 H25 N2 O -","- C32 H50 N4 O2 -","2","1","","Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M.","Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol.","The Journal of organic chemistry","2014","80","2","1116","","10.1021/jo5026404","","","0.71073","MoKα","","0.1272","0.0849","","","0.2508","0.2776","","","","","","1.107","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030402","14.465","0.002","11.3032","0.0018","15.418","0.003","90","","111.881","0.003","90","","2339.3","0.7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C96 H128 N8 O24 -","4","1","","Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M.","Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol.","The Journal of organic chemistry","2014","80","2","1116","","10.1021/jo5026404","","","0.71073","MoKα","","0.0903","0.0534","","","0.1002","0.1135","","","","","","0.991","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030403","26.445","0.002","8.1967","0.0006","11.1501","0.0009","90","","109.17","0.001","90","","2282.9","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H21 N O2 -","- C12 H21 N O2 -","- C96 H168 N8 O16 -","8","1","","Nocket, Anthony J.; Feng, Yiqing; Weinreb, Steven M.","Construction of the Myrioneuron Alkaloids: A Total Synthesis of (±)-Myrioneurinol.","The Journal of organic chemistry","2014","80","2","1116","","10.1021/jo5026404","","","0.71073","MoKα","","0.0556","0.0497","","","0.1402","0.1465","","","","","","1.039","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030404","12.199","0.003","30.881","0.008","11.905","0.003","90","","95.153","0.004","90","","4467","2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 O8 -","- C50 H62 O8 -","- C200 H248 O32 -","4","1","","Tanaka, Shinya; Umetsu, Takafumi; Nebuya, Satoru; Morohashi, Naoya; Hattori, Tetsutaro","1,3-Diiodocalix[4]arene: Synthesis by Ullmann-Type Iodination of 1,3-Bistriflate Ester of Calix[4]arene, Conformational Analysis, and Transformation into 1,3-Dicarboxy-, Diformyl-, and Dialkylcalix[4]arenes.","The Journal of organic chemistry","2014","80","2","1070","","10.1021/jo502563z","","","0.71073","MoKα","","0.1343","0.0764","","","0.1806","0.2231","","","","","","1.051","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030405","12.793","0.0015","12.793","0.0015","13.13","0.0015","90","","90","","90","","2148.9","0.4","173","2","173","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C50 H64 O6 -","- C50.08 H52 O6.04 -","- C100.16 H104 O12.08 -","2","0.25","","Tanaka, Shinya; Umetsu, Takafumi; Nebuya, Satoru; Morohashi, Naoya; Hattori, Tetsutaro","1,3-Diiodocalix[4]arene: Synthesis by Ullmann-Type Iodination of 1,3-Bistriflate Ester of Calix[4]arene, Conformational Analysis, and Transformation into 1,3-Dicarboxy-, Diformyl-, and Dialkylcalix[4]arenes.","The Journal of organic chemistry","2014","80","2","1070","","10.1021/jo502563z","","","0.71073","MoKα","","0.0998","0.0891","","","0.2362","0.2463","","","","","","1.053","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030406","19.5977","0.0017","22.0686","0.0017","12.5591","0.001","90","","126.494","0.001","90","","4366.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45.5 H57 Cl3 I2 O2 -","- C45.5 H54 Cl3 I2 O2 -","- C182 H216 Cl12 I8 O8 -","4","0.5","","Tanaka, Shinya; Umetsu, Takafumi; Nebuya, Satoru; Morohashi, Naoya; Hattori, Tetsutaro","1,3-Diiodocalix[4]arene: Synthesis by Ullmann-Type Iodination of 1,3-Bistriflate Ester of Calix[4]arene, Conformational Analysis, and Transformation into 1,3-Dicarboxy-, Diformyl-, and Dialkylcalix[4]arenes.","The Journal of organic chemistry","2014","80","2","1070","","10.1021/jo502563z","","","0.71073","MoKα","","0.0289","0.025","","","0.0623","0.0649","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4030536","32.0238","0.0005","16.1168","0.0002","8.624","0.0006","90","","101.794","0.007","90","","4357.1","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H38 O4 -","- C23 H38 O4 -","- C184 H304 O32 -","8","1","","Yang, Wei; Cao, Jingming; Zhang, Mengxun; Lan, Rongfeng; Zhu, Lizhi; Du, Guangyan; He, Shuzhong; Lee, Chi-Sing","Systemic Study on the Biogenic Pathways of Yezo'otogirins: Total Synthesis and Antitumor Activities of (±)-Yezo'otogirin C and Its Structural Analogues.","The Journal of organic chemistry","2014","80","2","836","","10.1021/jo502267g","","","1.54187","CuKα","","0.0522","0.0479","","","0.1286","0.1346","","","","","","1.092","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030537","23.5047","0.0017","13.3187","0.0003","13.1615","0.0003","90","","90","","90","","4120.2","0.3","299","2","299","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C168 H272 O40 -","8","1","","Yang, Wei; Cao, Jingming; Zhang, Mengxun; Lan, Rongfeng; Zhu, Lizhi; Du, Guangyan; He, Shuzhong; Lee, Chi-Sing","Systemic Study on the Biogenic Pathways of Yezo'otogirins: Total Synthesis and Antitumor Activities of (±)-Yezo'otogirin C and Its Structural Analogues.","The Journal of organic chemistry","2014","80","2","836","","10.1021/jo502267g","","","1.54178","CuKα","","0.1259","0.0872","","","0.163","0.1798","","","","","","1.349","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030538","5.8763","0.0004","9.3567","0.0007","22.8256","0.0016","90","","95.152","0.004","90","","1249.94","0.15","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","isoxazolidine","(3aS,5aS,7R,8R,8aS)-1-benzyl-8-(benzyloxy)-7-((benzyloxy)methyl)hexahydro-1H-furo [2',3':2,3]furo[3,4-c]isoxazole","","- C29 H31 N O5 -","- C29 H31 N O5 -","- C58 H62 N2 O10 -","2","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0515","0.0397","","","0.1055","0.1201","","","","","","1.069","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030539","9.2798","0.0011","11.1028","0.0015","22.049","0.003","90","","90","","90","","2271.7","0.5","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","azepane","(3aR,4aR,8S,9aR,9bR)-tert-butyl 9a-acetamido-8-acetoxy-2,2-dimethylhexahydro-3aH-[1,3]dioxolo [4',5':4,5]furo[2,3-c]azepine-6(9bH)-carboxylate","","- C20 H32 N2 O8 -","- C20 H32 N2 O8 -","- C80 H128 N8 O32 -","4","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0637","0.0473","","","0.1033","0.1115","","","","","","1.031","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030540","6.1419","0.001","20.457","0.003","27.077","0.004","90","","90","","90","","3402.1","0.9","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Pyranoisoxazole","(3aR,5aR,7aR,10aS,10bR)-1-benzyl-9,9-dimethyloctahydro-[1,3]dioxolo [4'',5'':4',5']pyrano[2',3':2,3]furo[3,4-c]isoxazole","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C144 H184 N8 O40 -","8","2","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.1584","0.0721","","","0.1857","0.2356","","","","","","1.007","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030541","9.66","0.002","10.965","0.002","10.599","0.002","90","","96.916","0.012","90","","1114.5","0.4","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","Cyclopentaisooxazole","(3aR,5R,5aS,6aR,9aR,9bR)-1-benzyl-5-(benzyloxy)-8,8-dimethyloctahydro- [1,3]dioxolo[4'',5'':4',5']furo[3',2':1,5]cyclopenta[1,2-c]isoxazole","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C50 H58 N2 O10 -","2","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0493","0.0404","","","0.1112","0.1208","","","","","","0.976","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030542","5.906","0.002","9.576","0.004","29.275","0.013","90","","90","","90","","1655.7","1.2","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Furodioxazocin","(3S,6aS,7aR,10aR,10bR)-1-benzyl-9,9-dimethylhexahydro-1H-3,10b-methano [1,3]dioxolo[4',5':4,5]furo[3,2-c][1,6,2]dioxazocine","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.045","0.0345","","","0.0716","0.0803","","","","","","1.032","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030543","7.6184","0.0003","9.1016","0.0004","15.0206","0.0007","90","","90","","90","","1041.52","0.08","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyloxazinane","((2R,4aS,6aR,7R,9aS)-2-methyloctahydrofuro[3',4':2,3]furo[3,4-d][1,3]oxazin-7-yl)methanol","","- C10 H17 N O4 -","- C10 H17 N O4 -","- C40 H68 N4 O16 -","4","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0463","0.039","","","0.1109","0.1281","","","","","","0.973","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030544","12.804","0.004","5.996","0.002","13.75","0.005","90","","108.29","0.02","90","","1002.3","0.6","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","oxazocinyl acetate","(3S,5R,6aR,7aR,10aR,10bR)-1-benzyl-9,9-dimethyloctahydro-3,10b-methano [1,3]dioxolo[4',5':4,5]furo[3,2-c][1,2]oxazocin-5-yl acetate","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C42 H54 N2 O12 -","2","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0883","0.0574","","","0.1487","0.1965","","","","","","1.085","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030549","8.4181","0.0004","10.6238","0.0005","19.2166","0.0009","90","","90","","90","","1718.58","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","SBR1332","","","- C21 H16 N O2 S -","- C21 H17 N O2 S -","- C84 H68 N4 O8 S4 -","4","1","","Seo, Boram; Jeon, Woo Hyung; Kim, Jaeeun; Kim, Sunghwa; Lee, Phil Ho","Synthesis of Fluorenes via Tandem Copper-Catalyzed [3 + 2] Cycloaddition and Rhodium-Catalyzed Denitrogenative Cyclization in a 5-Exo Mode from 2-Ethynylbiaryls and N-Sulfonyl Azides in One Pot.","The Journal of organic chemistry","2014","80","2","722","","10.1021/jo5027113","","","0.71073","","","0.0645","0.0451","","","0.0902","0.0998","","","","","","1.033","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030554","11.4665","0.0007","7.6859","0.0003","16.067","0.0011","90","","104.046","0.003","90","","1373.65","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O S -","- C16 H18 O S -","- C64 H72 O4 S4 -","4","2","","Ruppenthal, Simon; Brückner, Reinhard","Symmetric Diarylsulfoxides as Asymmetric Sulfinylating Reagents for Dialkylmagnesium Compounds.","The Journal of organic chemistry","2014","80","2","897","","10.1021/jo502417j","","","0.71073","MoKα","","0.051","0.0438","","","0.1092","0.1151","","","","","","1.022","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030624","40.0502","0.001","23.755","0.0005","28.4445","0.0006","90","","129.97","0.0007","90","","20739.6","0.8","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H72 Cl4 Ir2 O2 P2 -","- C50 H72 Cl4 Ir2 O2 P2 -","- C800 H1152 Cl64 Ir32 O32 P32 -","16","2","","Nagata, Tomoya; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro","Correction to iridium-catalyzed annulative coupling of 2-arylbenzoyl chlorides with alkynes: selective formation of phenanthrene derivatives.","The Journal of organic chemistry","2014","79","24","12205","","10.1021/jo5022986","","","0.71073","MoKα","","0.0625","0.0411","","","0.0917","0.1008","","","","","","1.011","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030625","18.879","0.003","13.056","0.002","9.5076","0.0016","90","","93.811","0.011","90","","2338.3","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 Br2 N O3 -","- C28 H17 Br2 N O3 -","- C112 H68 Br8 N4 O12 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1706","0.0676","","","0.1589","0.224","","","","","","1.002","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030626","9.4896","0.001","14.785","0.0016","17.2235","0.0018","90","","93.408","0.003","90","","2412.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Br N O4 -","- C29 H20 Br N O4 -","- C116 H80 Br4 N4 O16 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0859","0.0387","","","0.0959","0.1342","","","","","","1.027","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030627","15.7067","0.0019","16.039","0.002","17.011","0.002","90","","90","","90","","4285.4","0.9","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O4 -","- C26 H16 Br N O4 -","- C208 H128 Br8 N8 O32 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0788","0.0408","","","0.0812","0.0945","","","","","","1.001","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030628","16.2285","0.001","15.8298","0.0009","16.6687","0.0012","90","","90","","90","","4282.1","0.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O4 -","- C26 H16 Br N O4 -","- C208 H128 Br8 N8 O32 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1089","0.0466","","","0.0749","0.0894","","","","","","0.999","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030629","15.467","0.003","16.39","0.004","17.407","0.004","90","","90","","90","","4412.7","1.7","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O3 S -","- C26 H16 Br N O3 S -","- C208 H128 Br8 N8 O24 S8 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0921","0.046","","","0.0847","0.1016","","","","","","1.041","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030630","16.2118","0.0008","16.0178","0.0007","16.699","0.0008","90","","90","","90","","4336.4","0.4","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O3 S -","- C26 H16 Br N O3 S -","- C208 H128 Br8 N8 O24 S8 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0841","0.0425","","","0.0866","0.1007","","","","","","1.02","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030631","8.4535","0.0007","9.2384","0.0006","14.6945","0.0009","76.924","0.004","81.781","0.004","75.721","0.004","1078.68","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N O5 -","- C27 H19 N O5 -","- C54 H38 N2 O10 -","2","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0611","0.0448","","","0.1034","0.1138","","","","","","1.035","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030632","8.4303","0.0011","9.4086","0.0013","14.632","0.002","80.941","0.005","85.672","0.005","76.665","0.004","1114.3","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N O4 S -","- C27 H19 N O4 S -","- C54 H38 N2 O8 S2 -","2","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.062","0.0471","","","0.1139","0.1241","","","","","","1.051","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030633","15.4319","0.0006","17.3202","0.0007","7.7726","0.0003","90","","102.562","0.002","90","","2027.76","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 Br F3 N O3 -","- C23 H13 Br F3 N O3 -","- C92 H52 Br4 F12 N4 O12 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0537","0.0318","","","0.0805","0.1084","","","","","","1.122","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030634","10.1637","0.0018","15.39","0.003","15.061","0.003","90","","107.319","0.002","90","","2249","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Br N O3 -","- C28 H18 Br N O3 -","- C112 H72 Br4 N4 O12 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0483","0.0322","","","0.0804","0.0972","","","","","","1.104","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030635","8.438","0.0013","18.194","0.002","14.098","0.002","90","","91.025","0.006","90","","2164","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Br N O4 -","- C26 H16 Br N O4 -","- C104 H64 Br4 N4 O16 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1406","0.0597","","","0.1028","0.1247","","","","","","1.002","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030636","7.3736","0.0003","11.2042","0.0005","13.9298","0.0005","92.092","0.003","104.25","0.003","100.314","0.003","1093.46","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Br N O3 -","- C26 H22 Br N O3 -","- C52 H44 Br2 N2 O6 -","2","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1355","0.0574","","","0.1407","0.2032","","","","","","0.99","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030637","8.5974","0.0009","19.016","0.0017","13.0707","0.0013","90","","90.944","0.007","90","","2136.6","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl N O3 -","- C26 H22 Cl N O3 -","- C104 H88 Cl4 N4 O12 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1617","0.1496","","","0.4385","0.4433","","","","","","1.16","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030638","10.5165","0.0006","11.0302","0.0006","11.792","0.0006","83.822","0.003","67.724","0.003","72.66","0.003","1208.23","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Br N O4 -","- C27 H24 Br N O4 -","- C54 H48 Br2 N2 O8 -","2","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1175","0.0506","","","0.1336","0.1721","","","","","","1.005","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030639","15.167","0.006","7.776","0.003","20.869","0.008","90","","97.136","0.007","90","","2442.2","1.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Br N O4 -","- C27 H24 Br N O4 -","- C108 H96 Br4 N4 O16 -","4","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1615","0.0605","","","0.1293","0.1639","","","","","","1.009","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030640","9.6599","0.0004","11.2115","0.0005","11.2494","0.0005","82.924","0.002","82.893","0.002","67.717","0.002","1114.82","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Br N O3 S -","- C24 H20 Br N O3 S -","- C48 H40 Br2 N2 O6 S2 -","2","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0623","0.0513","","","0.1389","0.1449","","","","","","1.17","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030641","9.3495","0.0005","10.1654","0.0006","16.1135","0.0009","99.921","0.002","105.683","0.002","96.551","0.002","1431.4","0.14","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","2","","Xu, Feng; Peng, Lifen; Shinohara, Kenta; Morita, Takamoto; Yoshida, Suguru; Hosoya, Takamitsu; Orita, Akihiro; Otera, Junzo","Substituted 5,6,11,12-tetradehydrodibenzo[a,e]cyclooctenes: syntheses, properties, and DFT studies of substituted Sondheimer-Wong diynes.","The Journal of organic chemistry","2014","79","23","11592","11608","10.1021/jo502248p","","","0.71073","MoKα","","0.1353","0.0605","","","0.114","0.1389","","","","","","1.02","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030642","10.8173","0.0005","10.915","0.0006","14.5641","0.0007","73.997","0.002","72.905","0.002","74.292","0.002","1545.89","0.14","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","2","","Xu, Feng; Peng, Lifen; Shinohara, Kenta; Morita, Takamoto; Yoshida, Suguru; Hosoya, Takamitsu; Orita, Akihiro; Otera, Junzo","Substituted 5,6,11,12-tetradehydrodibenzo[a,e]cyclooctenes: syntheses, properties, and DFT studies of substituted Sondheimer-Wong diynes.","The Journal of organic chemistry","2014","79","23","11592","11608","10.1021/jo502248p","","","0.71073","MoKα","","0.0761","0.0514","","","0.1207","0.1432","","","","","","1.063","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030643","7.3806","0.0008","16.057","0.002","9.1541","0.001","90","","109.663","0.004","90","","1021.6","0.2","122","2","122","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","","Xu, Feng; Peng, Lifen; Shinohara, Kenta; Morita, Takamoto; Yoshida, Suguru; Hosoya, Takamitsu; Orita, Akihiro; Otera, Junzo","Substituted 5,6,11,12-tetradehydrodibenzo[a,e]cyclooctenes: syntheses, properties, and DFT studies of substituted Sondheimer-Wong diynes.","The Journal of organic chemistry","2014","79","23","11592","11608","10.1021/jo502248p","","","0.71073","MoKα","","0.0925","0.0475","","","0.0944","0.1118","","","","","","1.029","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4031301","7.96089","0.00029","11.84737","0.00033","7.73174","0.00024","90","","101.285","0.0025","90","","715.13","0.04","300","","300","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","C4 H3 N2 O2 S Cs","- C4 H3 Cs N2 O2 S -","- C4 H3 Cs N2 O2 S -","- C16 H12 Cs4 N8 O8 S4 -","4","0.5","","Golovnev, Nikolay; Molokeev, Maxim","Crystal structures of cesium and rubidium 2-thiobarbiturates","Russian Journal of Inorganic Chemistry","2014","59","9","943","","10.1134/S003602361409006X","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.864","","","","2.742","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"4031302","7.63691","0.00019","11.76903","0.00033","7.55678","0.00018","90","","100.212","0.0012","90","","668.44","0.03","300","","300","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Rubidium 2-Thiobarbiturate","- C4 H3 N2 O2 Rb S -","- C4 H3 N2 O2 Rb S -","- C16 H12 N8 O8 Rb4 S4 -","4","0.5","","Golovnev, Nikolay; Molokeev, Maxim","Crystal structures of cesium and rubidium 2-thiobarbiturates","Russian Journal of Inorganic Chemistry","2014","59","9","943","","10.1134/S003602361409006X","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.775","","","","2.697","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"4031303","6.75979","0.00017","7.60604","0.00017","8.57969","0.00019","79.8216","0.0015","76.622","0.0013","69.1242","0.0013","398.823","0.017","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Mg N4 O8 S2 -","- C8 H14 Mg N4 O8 S2 -","- C8 H14 Mg N4 O8 S2 -","1","0.5","","Golovnev, Nikolay; Molokeev, Maxim","Structures of bis(2-thiobarbiturato-O)tetraaquamagnesium and catena-[(mu2-2-thiobarbiturato-O,O)(2-thiobarbiturato-O) bis(mu2-aqua)diaquastrontium] monohydrate","Russian Journal of Inorganic Chemistry","2014","59","2","72","","10.1134/S0036023614020107","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.989","","","","5.123","","","","has coordinates,has Fobs","189197","2020-10-21","18:00:00",""
"4031304","20.84994","0.00044","19.26486","0.00047","4.140067","0.000089","90","","92.0225","0.0015","90","","1661.91","0.06","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","Catena-bis(2-thiobarbiturato)-tetraaqua-strontium monohydrate","- C8 H6 N4 O9 S2 Sr -","- C8 H6 N4 O9 S2 Sr -","- C32 H24 N16 O36 S8 Sr4 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim","Structures of bis(2-thiobarbiturato-O)tetraaquamagnesium and catena-[(mu2-2-thiobarbiturato-O,O)(2-thiobarbiturato-O) bis(mu2-aqua)diaquastrontium] monohydrate","Russian Journal of Inorganic Chemistry","2014","59","2","72","","10.1134/S0036023614020107","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.087","","","","4.806","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"4033358","15.6613","0.0014","16.8213","0.0016","19.0713","0.0017","107.424","0.004","100.597","0.004","105.364","0.004","4429.1","0.7","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C79.5 H90.5 F24 N12.5 O8 P4 Ru2 -","- C79.5 H90.5 F24 N12.5 O8 P4 Ru2 -","- C159 H181 F48 N25 O16 P8 Ru4 -","2","1","","Kyle T. Hufziger; Fathima Shazna Thowfeik; David J. Charboneau; Ismael Nieto; William G. Dougherty; W. Scott Kassel; Timothy J. Dudley; Edward J. Merino; Elizabeth T. Papish; Jared J. Paul","Ruthenium Dihydroxybipyridine Complexes are Tumor Activated Prodrugs Due to Low pH and Blue Light Induced Ligand Release","Journal of Inorganic Biochemistry","2014","130","","103","111","10.1016/j.jinorgbio.2013.10.008","","","0.71073","MoKα","","0.1111","0.0551","","","0.1231","0.1482","","","","","","1.019","","","","has coordinates,has disorder","205258","2020-10-21","18:00:00",""
"4033359","9.4108","0.0007","12.2807","0.0009","13.0032","0.001","84.343","0.004","88.748","0.004","73.877","0.004","1436.63","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28.5 N6.5 O2.5 Ru -","- C30 H22 N6 O2 Ru -","- C60 H44 N12 O4 Ru2 -","2","1","","Kyle T. Hufziger; Fathima Shazna Thowfeik; David J. Charboneau; Ismael Nieto; William G. Dougherty; W. Scott Kassel; Timothy J. Dudley; Edward J. Merino; Elizabeth T. Papish; Jared J. Paul","Ruthenium Dihydroxybipyridine Complexes are Tumor Activated Prodrugs Due to Low pH and Blue Light Induced Ligand Release","Journal of Inorganic Biochemistry","2014","130","","103","111","10.1016/j.jinorgbio.2013.10.008","","","0.71073","MoKα","","0.0478","0.0368","","","0.0854","0.0889","","","","","","1.024","","","","has coordinates","205259","2020-10-21","18:00:00",""
"4033400","7.54","0.0004","22.622","0.0014","17.4291","0.001","90","","102.491","0.002","90","","2902.5","0.3","","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br Fe O2 -","- C17 H13 Br Fe O2 -","- C136 H104 Br8 Fe8 O16 -","8","2","","Jose L. Vera; Jorge Rullan; Natasha Santos; Jesus Jimenez; Joshua Rivera; Alberto Santana; Jon Briggs; Arnold L. Rheingold; Jaime Matta; Enrique Melendez","Functionalized ferrocenes: The role of the para substituent on the phenoxy pendant group","Journal of Organometallic Chemistry","2014","749","","204","214","10.1016/j.jorganchem.2013.10.002","","x-ray","0.71073","MoKα","","0.0372","0.0291","","","0.066","0.0704","","","","","","1.079","","","","has coordinates","205572","2020-10-21","18:00:00",""
"4033401","7.4929","0.0002","22.6129","0.0005","17.3025","0.0004","90","","102.029","0.001","90","","2867.3","0.12","","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl Fe O2 -","- C17 H13 Cl Fe O2 -","- C136 H104 Cl8 Fe8 O16 -","8","2","","Jose L. Vera; Jorge Rullan; Natasha Santos; Jesus Jimenez; Joshua Rivera; Alberto Santana; Jon Briggs; Arnold L. Rheingold; Jaime Matta; Enrique Melendez","Functionalized ferrocenes: The role of the para substituent on the phenoxy pendant group","Journal of Organometallic Chemistry","2014","749","","204","214","10.1016/j.jorganchem.2013.10.002","","x-ray","0.71073","MoKα","","0.0303","0.0256","","","0.0592","0.061","","","","","","1.023","","","","has coordinates","205571","2020-10-21","18:00:00",""
"4037605","4.3177","0.0002","16.1033","0.0009","15.9891","0.001","90","","94.126","0.005","90","","1108.83","0.11","296","","296","","","","","","","","see text","4","C 1 c 1","C -2yc","9","","","","- C11 H11 N O6 -","- C11 H11 N O6 -","- C44 H44 N4 O24 -","4","1","","Kaur, Divneet; Luk, Hoi L.; Coldren, William; Srinivas, Pavan M.; Sridhar, Lakshetti; Prabhakar, Sripadi; Raghunathan, Partha; Guru Row, T. N.; Hadad, Christopher M.; Platz, Matthew S.; Eswaran, Sambasivan V.","Concomitant nitrene and carbene insertion accompanying ring expansion: spectroscopic, X-ray, and computational studies.","The Journal of organic chemistry","2014","79","3","1199","1205","10.1021/jo402621w","","x-ray","0.71073","MoKα","","0.065","0.05","","","0.1076","0.1231","","","","","","1.069","","","","has coordinates","243444","2020-10-21","18:00:00",""
"4037606","7.064","0.003","12.199","0.005","13.628","0.005","71.951","0.016","77.552","0.019","80.597","0.018","1084.4","0.8","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","Keto Indolo quinoxaline (common name)","1. [1,3]dioxolo[4',5':5,6]indolo[1,2-a]quinoxalin-6-yl (4-(tert-butyl)phenyl)methanone (IUPAC name)","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C54 H44 N4 O6 -","2","1","","Samala, Srinivas; Arigela, Rajesh K.; Kant, Ruchir; Kundu, Bijoy","Diversity-oriented synthesis of ketoindoloquinoxalines and indolotriazoloquinoxalines from 1-(2-nitroaryl)-2-alkynylindoles.","The Journal of organic chemistry","2014","79","6","2491","2500","10.1021/jo402783p","","","0.71075","MoKα","","0.0904","0.065","","","0.1892","0.2097","","","","","","1.015","","","","has coordinates","243445","2020-10-21","18:00:00",""
"4037607","22.2452","0.0012","8.0381","0.0005","12.3549","0.0006","90","","98.746","0.005","90","","2183.5","0.2","291","2","291.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cl2 N2 O2 -","- C26 H16 Cl2 N2 O2 -","- C104 H64 Cl8 N8 O8 -","4","0.5","","Song, Hongyu; Chen, Dong; Pi, Chao; Cui, Xiuling; Wu, Yangjie","Palladium(II)-catalyzed direct regioselectively oxidative acylation of azobenzenes with toluene derivatives.","The Journal of organic chemistry","2014","79","7","2955","2962","10.1021/jo5000219","","","1.5418","CuKα","","0.0644","0.0505","","","0.1383","0.1515","","","","","","1.051","","","","has coordinates","243446","2020-10-21","18:00:00",""
"4037608","24.4859","0.0005","11.3635","0.0003","14.26","0.001","90","","125.123","0.009","90","","3245.3","0.4","93","","93","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C60 H76 N16 O12 -","- C60 H76 N16 O12 -","- C120 H152 N32 O24 -","2","0.5","","Katayama, Katsushi; Okamura, Takuya; Sunadome, Takuya; Nakagawa, Koji; Takeda, Hiroshi; Shiro, Motoo; Matsuda, Akira; Ichikawa, Satoshi","Synthesis and biological evaluation of quinaldopeptin.","The Journal of organic chemistry","2014","79","6","2580","2590","10.1021/jo500039d","","","1.54187","CuKα","","","0.0628","","","","0.1826","","","","","","1.003","","","","has coordinates","243447","2020-10-21","18:00:00",""
"4037609","11.096","0.003","11.096","0.003","31.919","0.008","90","","90","","90","","3929.9","1.8","293","2","293","2","","","","","","","see text","4","P 41 21 2","P 4abw 2nw","92","","","","- C24 H22 N2 S -","- C24 H22 N2 S -","- C192 H176 N16 S8 -","8","1","","Goel, Atul; Sharma, Ashutosh; Rawat, Madhu; Anand, R. S.; Kant, Ruchir","Synthesis of fluorescent C2-bridged teraryls and quateraryls for blue, sky-blue, and green color light-emitting devices.","The Journal of organic chemistry","2014","79","22","10873","10880","10.1021/jo501891w","","","0.71075","MoKα","","0.0398","0.0356","","","0.0807","0.0833","","","","","","1.049","","","","has coordinates","243448","2020-10-21","18:00:00",""
"4037610","20.428","0.003","40.293","0.005","9.1395","0.0011","90","","90","","90","","7522.8","1.7","100","0.5","100","0.5","","","","","","","","4","F d d 2","F 2 -2d","43","frosj01","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C368 H400 N16 O32 -","16","1","","Jacob, Steven D.; Brooks, Joshua L.; Frontier, Alison J.","No acid required: 4π and 6π electrocyclization reactions of dienyl diketones for the synthesis of cyclopentenones and 2H-Pyrans.","The Journal of organic chemistry","2014","79","21","10296","10302","10.1021/jo501914w","","","0.71073","MoKα","","0.1072","0.0544","","","0.0904","0.1041","","","","","","0.838","","","","has coordinates","243449","2020-10-21","18:00:00",""
"4082235","10.2052","0.0003","17.3311","0.0005","17.0297","0.0006","90","","99.069","0.003","90","","2974.35","0.16","180","2","180.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H35 N Si Ti -","- C37 H35 N Si Ti -","- C148 H140 N4 Si4 Ti4 -","4","1","","Zhao, Jing; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Reaction of Titanacyclobutene‒Silacyclobutene Fused-Ring Complexes with Nitriles via Formal Insertion of the C‒N Triple Bond of Nitrile into the Silacyclobutene Ring","Organometallics","2014","33","1","8","","10.1021/om401065c","","","0.7107","MoKα","","0.0478","0.0386","","","0.0935","0.1","","","","","","1.051","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082236","15.9762","0.0008","11.2754","0.0004","17.1936","0.0009","90","","115.916","0.006","90","","2785.8","0.3","99.98","0.11","99.98","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N Si Ti -","- C35 H31 N Si Ti -","- C140 H124 N4 Si4 Ti4 -","4","1","","Zhao, Jing; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Reaction of Titanacyclobutene‒Silacyclobutene Fused-Ring Complexes with Nitriles via Formal Insertion of the C‒N Triple Bond of Nitrile into the Silacyclobutene Ring","Organometallics","2014","33","1","8","","10.1021/om401065c","","","0.7107","MoKα","","0.0448","0.0366","","","0.0913","0.0977","","","","","","1.046","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082237","16.2653","0.0006","19.3916","0.0006","24.776","0.0008","90","","104.915","0.003","90","","7551.3","0.5","180","2","180.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H43 N O Si Ti -","- C49 H39 N O Si Ti -","- C392 H312 N8 O8 Si8 Ti8 -","8","1","","Zhao, Jing; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Reaction of Titanacyclobutene‒Silacyclobutene Fused-Ring Complexes with Nitriles via Formal Insertion of the C‒N Triple Bond of Nitrile into the Silacyclobutene Ring","Organometallics","2014","33","1","8","","10.1021/om401065c","","","0.7107","MoKα","","0.0576","0.0469","","","0.1209","0.1291","","","","","","1.036","","","","has coordinates,has disorder","178711","2020-10-21","18:00:00",""
"4082238","12.041","0.004","20.957","0.006","11.964","0.003","90","","105.338","0.008","90","","2911.5","1.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H57 As2 Cl2 Cu2 Pd2 -","- C64 H40 As2 Cl2 Cu2 Pd2 -","- C128 H80 As4 Cl4 Cu4 Pd4 -","2","0.5","","Meana, Isabel; Espinet, Pablo; Albéniz, Ana C.","Heterometallic Complexes by Transmetalation of Alkynyl Groups from Copper or Silver to Allyl Palladium Complexes: Demetalation Studies and Alkynyl Homocoupling","Organometallics","2014","33","1","1","","10.1021/om4005498","","","0.71073","MoKα","","0.2837","0.0758","","","0.1567","0.2547","","","","","","0.976","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082239","20.1012","0.0005","11.2224","0.0002","22.9667","0.0005","90","","90","","90","","5180.91","0.19","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H48 Cl2 Cu2 P2 Pd2 -","- C54 H48 Cl2 Cu2 P2 Pd2 -","- C216 H192 Cl8 Cu8 P8 Pd8 -","4","0.5","","Meana, Isabel; Espinet, Pablo; Albéniz, Ana C.","Heterometallic Complexes by Transmetalation of Alkynyl Groups from Copper or Silver to Allyl Palladium Complexes: Demetalation Studies and Alkynyl Homocoupling","Organometallics","2014","33","1","1","","10.1021/om4005498","","","0.71073","MoKα","","0.0625","0.0359","","","0.0869","0.0931","","","","","","0.964","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082240","10.7943","0.0003","17.6745","0.0005","13.7175","0.0004","90","","99.057","0.003","90","","2584.45","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H40 Cl2 Cu2 P2 Pd2 -","- C58 H40 Cl2 Cu2 P2 Pd2 -","- C116 H80 Cl4 Cu4 P4 Pd4 -","2","0.5","","Meana, Isabel; Espinet, Pablo; Albéniz, Ana C.","Heterometallic Complexes by Transmetalation of Alkynyl Groups from Copper or Silver to Allyl Palladium Complexes: Demetalation Studies and Alkynyl Homocoupling","Organometallics","2014","33","1","1","","10.1021/om4005498","","","0.71073","MoKα","","0.057","0.0352","","","0.0877","0.0929","","","","","","0.947","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082241","11.1373","0.001","18.8145","0.0019","24.316","0.005","90","","101.392","0.013","90","","4994.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H48 Ag Cl P2 Pd2 -","- C54 H48 Ag Cl P2 Pd2 -","- C216 H192 Ag4 Cl4 P8 Pd8 -","4","1","","Meana, Isabel; Espinet, Pablo; Albéniz, Ana C.","Heterometallic Complexes by Transmetalation of Alkynyl Groups from Copper or Silver to Allyl Palladium Complexes: Demetalation Studies and Alkynyl Homocoupling","Organometallics","2014","33","1","1","","10.1021/om4005498","","","0.71073","MoKα","","0.1191","0.0459","","","0.102","0.1141","","","","","","0.812","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082242","8.0369","0.0003","10.6149","0.0004","19.4286","0.0007","92.411","0.002","91.896","0.002","109.056","0.002","1563.33","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H53 Ir O2 P2 -","- C30 H53 Ir O2 P2 -","- C60 H106 Ir2 O4 P4 -","2","1","","Phadke, Neha; Findlater, Michael","Formation of Iridium(III) Allene Complexes via Isomerization of Internal Alkynes","Organometallics","2014","33","1","16","","10.1021/om4010934","","","1.54178","CuKα","","0.0355","0.0337","","","0.0822","0.0832","","","","","","1.099","","","","has coordinates,has disorder","178711","2020-10-21","18:00:00",""
"4082280","10.5281","0.0005","16.3714","0.0009","18.5506","0.001","90","","94.19","0.001","90","","3188.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 B Ir N7 Si -","- C29 H45 B Ir N7 Si -","- C116 H180 B4 Ir4 N28 Si4 -","4","1","","Vattier, Florencia; Salazar, Verónica; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","Tautomerization of Pyridine and 2-Substituted Pyridines to Pyridylidene Ligands by the Iridium(I)‒Diene Complex TpMe2Ir(η4-CH2═C(Me)C(Me)═CH2)","Organometallics","2014","33","2","498","","10.1021/om400968s","","","0.71073","MoKα","","0.03","0.0241","","","0.0602","0.0631","","","","","","1.033","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082281","9.8842","0.0004","10.3715","0.0004","17.4179","0.0007","81.922","0.001","76.88","0.001","72.292","0.001","1651.65","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H45 B Ir N7 O -","- C33 H45 B Ir N7 O -","- C66 H90 B2 Ir2 N14 O2 -","2","1","","Vattier, Florencia; Salazar, Verónica; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","Tautomerization of Pyridine and 2-Substituted Pyridines to Pyridylidene Ligands by the Iridium(I)‒Diene Complex TpMe2Ir(η4-CH2═C(Me)C(Me)═CH2)","Organometallics","2014","33","2","498","","10.1021/om400968s","","","0.71073","MoKα","","0.0366","0.0278","","","0.0597","0.0632","","","","","","1.032","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082282","10.4723","0.0006","14.5591","0.0007","17.0061","0.0009","90","","90","","90","","2592.9","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 B Ir N7 -","- C26 H37 B Ir N7 -","- C104 H148 B4 Ir4 N28 -","4","1","","Vattier, Florencia; Salazar, Verónica; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","Tautomerization of Pyridine and 2-Substituted Pyridines to Pyridylidene Ligands by the Iridium(I)‒Diene Complex TpMe2Ir(η4-CH2═C(Me)C(Me)═CH2)","Organometallics","2014","33","2","498","","10.1021/om400968s","","","0.71073","MoKα","","0.0913","0.0549","","","0.1122","0.1267","","","","","","1.107","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082283","10.327","0.003","11.229","0.003","16.031","0.003","83.361","0.006","76.9","0.006","64.141","0.004","1629","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H45 B Ir N7 O -","- C33 H45 B Ir N7 O -","- C66 H90 B2 Ir2 N14 O2 -","2","1","","Vattier, Florencia; Salazar, Verónica; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","Tautomerization of Pyridine and 2-Substituted Pyridines to Pyridylidene Ligands by the Iridium(I)‒Diene Complex TpMe2Ir(η4-CH2═C(Me)C(Me)═CH2)","Organometallics","2014","33","2","498","","10.1021/om400968s","","","0.71073","MoKα","","0.0881","0.054","","","0.1145","0.1267","","","","","","1.029","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082284","19.1503","0.0006","16.9853","0.0006","17.1111","0.0006","90","","91.7272","0.0004","90","","5563.3","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 N O5 P W -","- C29 H24 N O5 P W -","- C232 H192 N8 O40 P8 W8 -","8","1","","Jayaraman, Arumugam; Sterenberg, Brian T.","Electrophilic Aromatic Substitution Reactions of a Tungsten-Coordinated Phosphirenyl Triflate","Organometallics","2014","33","2","522","","10.1021/om401050w","","","0.71073","MoKα","","0.0143","0.0131","","","0.0324","0.0329","","","","","","1.062","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082285","12.343","0.0009","13.5366","0.001","15.8869","0.0011","106.562","0.001","112.847","0.001","95.914","0.001","2275","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H13 O5 P S W -","- C23 H13 O5 P S W -","- C92 H52 O20 P4 S4 W4 -","4","2","","Jayaraman, Arumugam; Sterenberg, Brian T.","Electrophilic Aromatic Substitution Reactions of a Tungsten-Coordinated Phosphirenyl Triflate","Organometallics","2014","33","2","522","","10.1021/om401050w","","","0.71073","MoKα","","0.025","0.0221","","","0.0522","0.0533","","","","","","1.054","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082286","16.992","0.0005","11.5473","0.0004","25.9194","0.0008","90","","100.115","0.0004","90","","5006.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N O4 P W -","- C27 H22 N O4 P W -","- C216 H176 N8 O32 P8 W8 -","8","2","","Jayaraman, Arumugam; Sterenberg, Brian T.","Electrophilic Aromatic Substitution Reactions of a Tungsten-Coordinated Phosphirenyl Triflate","Organometallics","2014","33","2","522","","10.1021/om401050w","","","0.71073","MoKα","","0.025","0.02","","","0.0434","0.0452","","","","","","1.041","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082287","8.8441","0.0004","40.152","0.002","29.1849","0.0016","90","","93.599","0.002","90","","10343.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl F N2 Pt -","- C12 H16 Cl F N2 Pt -","- C384 H512 Cl32 F32 N64 Pt32 -","32","8","","Gandioso, Albert; Valle-Sistac, Jennifer; Rodr\?íguez, Laura; Crespo, Margarita; Font-Bard\?ía, Mercè","Platinum(II) Compounds Containing Cyclometalated Tridentate Ligands: Synthesis, Luminescence Studies, and a Selective Fluoro for Methoxy Substitution","Organometallics","2014","33","2","561","","10.1021/om401111t","","","0.71073","MoKα","","0.0602","0.0489","","","0.0843","0.0876","","","","","","1.212","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082288","6.3309","0.0004","11.8103","0.0007","19.2021","0.0011","90","","98.104","0.002","90","","1421.4","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cl F2 N2 O Pt -","- C13 H17 Cl F2 N2 O Pt -","- C52 H68 Cl4 F8 N8 O4 Pt4 -","4","1","","Gandioso, Albert; Valle-Sistac, Jennifer; Rodr\?íguez, Laura; Crespo, Margarita; Font-Bard\?ía, Mercè","Platinum(II) Compounds Containing Cyclometalated Tridentate Ligands: Synthesis, Luminescence Studies, and a Selective Fluoro for Methoxy Substitution","Organometallics","2014","33","2","561","","10.1021/om401111t","","","0.71073","MoKα","","0.038","0.0258","","","0.0486","0.0528","","","","","","0.985","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082289","13.0118","0.0008","13.8569","0.0008","15.1758","0.001","90","","94.793","0.003","90","","2726.7","0.3","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Cl Ir O2 P3 -","- C25 H37 Cl Ir O2 P3 -","- C100 H148 Cl4 Ir4 O8 P12 -","4","1","","Martin, Carmen; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Combined Experimental/Computational Study of Iridium and Palladium Hydride PP(O)P Pincer Complexes","Organometallics","2014","33","2","571","","10.1021/om401117d","","x-ray","0.71073","MoKα","","0.0513","0.0297","","","0.0505","0.056","","","","","","1.006","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082290","15.3362","0.0005","11.3804","0.0004","15.2944","0.0005","90","","104.799","0.002","90","","2580.82","0.15","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 O P3 Pd -","- C24 H37 O P3 Pd -","- C96 H148 O4 P12 Pd4 -","4","1","","Martin, Carmen; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Combined Experimental/Computational Study of Iridium and Palladium Hydride PP(O)P Pincer Complexes","Organometallics","2014","33","2","571","","10.1021/om401117d","","x-ray","0.71073","MoKα","","0.0249","0.0213","","","0.0547","0.0577","","","","","","1.086","","","","has coordinates,has disorder","178711","2020-10-21","18:00:00",""
"4082291","8.7055","0.0003","14.7418","0.0005","27.8417","0.001","90","","90.03","0.001","90","","3573.1","0.2","253","2","253","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H51 O3 P3 Pd -","- C35 H51 O3 P3 Pd -","- C140 H204 O12 P12 Pd4 -","4","1","","Martin, Carmen; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Combined Experimental/Computational Study of Iridium and Palladium Hydride PP(O)P Pincer Complexes","Organometallics","2014","33","2","571","","10.1021/om401117d","","x-ray","0.71073","MoKα","","0.046","0.031","","","0.0694","0.0772","","","","","","1.061","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082292","8.4815","0.0005","18.0392","0.0011","20.9066","0.0013","90","","99.245","0.003","90","","3157.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H57 Cl2 N4 P3 Ru -","- C24 H57 Cl2 N4 P3 Ru -","- C96 H228 Cl8 N16 P12 Ru4 -","4","1","","Sgro, Michael J.; Dahcheh, Fatme; Stephan, Douglas W.","Synthesis and Reactivity of Ruthenium Hydride Complexes Containing a Tripodal Aminophosphine Ligand","Organometallics","2014","33","2","578","","10.1021/om4011388","","","0.71073","MoKα","","0.0334","0.0257","","","0.0607","0.0645","","","","","","1.036","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082293","10.2442","0.0003","18.5567","0.0004","19.749","0.0005","90","","104.199","0.001","90","","3639.56","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H62 Cl N6 P3 Ru -","- C28 H62 Cl N6 P3 Ru -","- C112 H248 Cl4 N24 P12 Ru4 -","4","1","","Sgro, Michael J.; Dahcheh, Fatme; Stephan, Douglas W.","Synthesis and Reactivity of Ruthenium Hydride Complexes Containing a Tripodal Aminophosphine Ligand","Organometallics","2014","33","2","578","","10.1021/om4011388","","","0.71073","MoKα","","0.0394","0.0297","","","0.0746","0.0792","","","","","","1.028","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082294","11.5349","0.0012","12.5809","0.0012","18.0678","0.0019","75.243","0.004","78.031","0.005","74.066","0.004","2411.3","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H77 B Cl N4 P3 Ru -","- C48 H77 B Cl N4 P3 Ru -","- C96 H154 B2 Cl2 N8 P6 Ru2 -","2","1","","Sgro, Michael J.; Dahcheh, Fatme; Stephan, Douglas W.","Synthesis and Reactivity of Ruthenium Hydride Complexes Containing a Tripodal Aminophosphine Ligand","Organometallics","2014","33","2","578","","10.1021/om4011388","","","0.71073","MoKα","","0.0778","0.0488","","","0.1071","0.1207","","","","","","1.026","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082295","11.0205","0.0005","28.8171","0.0012","11.1771","0.0005","90","","97.627","0.002","90","","3518.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H60 Cl3 N4 P3 Ru -","- C25 H60 Cl3 N4 P3 Ru -","- C100 H240 Cl12 N16 P12 Ru4 -","4","1","","Sgro, Michael J.; Dahcheh, Fatme; Stephan, Douglas W.","Synthesis and Reactivity of Ruthenium Hydride Complexes Containing a Tripodal Aminophosphine Ligand","Organometallics","2014","33","2","578","","10.1021/om4011388","","","0.71073","MoKα","","0.0388","0.0312","","","0.0738","0.0774","","","","","","1.033","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082296","10.0479","0.0005","15.2051","0.0008","19.4815","0.0008","90","","90","","90","","2976.4","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H57 N4 P3 Ru -","- C24 H57 N4 P3 Ru -","- C96 H228 N16 P12 Ru4 -","4","1","","Sgro, Michael J.; Dahcheh, Fatme; Stephan, Douglas W.","Synthesis and Reactivity of Ruthenium Hydride Complexes Containing a Tripodal Aminophosphine Ligand","Organometallics","2014","33","2","578","","10.1021/om4011388","","","0.71073","MoKα","","0.066","0.043","","","0.0903","0.1006","","","","","","1.015","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082297","16.8955","0.0008","10.1655","0.0005","35.1942","0.0018","90","","90","","90","","6044.6","0.5","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H57 N4 P3 Ru -","- C24 H57 N4 P3 Ru -","- C192 H456 N32 P24 Ru8 -","8","2","","Sgro, Michael J.; Dahcheh, Fatme; Stephan, Douglas W.","Synthesis and Reactivity of Ruthenium Hydride Complexes Containing a Tripodal Aminophosphine Ligand","Organometallics","2014","33","2","578","","10.1021/om4011388","","","0.71073","MoKα","","0.0746","0.051","","","0.0952","0.1044","","","","","","1.02","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082298","11.4298","0.0005","30.077","0.0014","15.1498","0.0008","90","","96.097","0.003","90","","5178.6","0.4","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H78 B Cl2 N4 O P3 Ru -","- C49 H78 B Cl2 N4 O P3 Ru -","- C196 H312 B4 Cl8 N16 O4 P12 Ru4 -","4","1","","Sgro, Michael J.; Dahcheh, Fatme; Stephan, Douglas W.","Synthesis and Reactivity of Ruthenium Hydride Complexes Containing a Tripodal Aminophosphine Ligand","Organometallics","2014","33","2","578","","10.1021/om4011388","","","0.71073","MoKα","","0.0904","0.0566","","","0.1259","0.1372","","","","","","1.047","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082299","11.3135","0.0005","13.4163","0.0005","18.6741","0.0007","87.76","0.002","86.12","0.002","86.646","0.002","2821.36","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H82 B N4 P3 Ru -","- C56 H82 B N4 P3 Ru -","- C112 H164 B2 N8 P6 Ru2 -","2","1","","Sgro, Michael J.; Dahcheh, Fatme; Stephan, Douglas W.","Synthesis and Reactivity of Ruthenium Hydride Complexes Containing a Tripodal Aminophosphine Ligand","Organometallics","2014","33","2","578","","10.1021/om4011388","","","0.71073","MoKα","","0.0756","0.0578","","","0.1588","0.1693","","","","","","1.064","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082300","12.4309","0.0007","14.0726","0.001","19.3979","0.0013","94.222","0.004","96.622","0.004","114.566","0.003","3037.7","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H89 B Br N4 P3 Ru -","- C59 H89 B Br N4 P3 Ru -","- C118 H178 B2 Br2 N8 P6 Ru2 -","2","1","","Sgro, Michael J.; Dahcheh, Fatme; Stephan, Douglas W.","Synthesis and Reactivity of Ruthenium Hydride Complexes Containing a Tripodal Aminophosphine Ligand","Organometallics","2014","33","2","578","","10.1021/om4011388","","","0.71073","MoKα","","0.1136","0.0737","","","0.195","0.2128","","","","","","1.052","","","","has coordinates,has disorder","178712","2020-10-21","18:00:00",""
"4082301","8.3329","0.0005","13.9511","0.0009","16.0158","0.001","108.503","0.003","102.524","0.004","100.743","0.004","1656.83","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H56 N4 O2 P3 Ru -","- C25 H56 N4 O2 P3 Ru -","- C50 H112 N8 O4 P6 Ru2 -","2","1","","Sgro, Michael J.; Dahcheh, Fatme; Stephan, Douglas W.","Synthesis and Reactivity of Ruthenium Hydride Complexes Containing a Tripodal Aminophosphine Ligand","Organometallics","2014","33","2","578","","10.1021/om4011388","","","0.71073","MoKα","","0.0773","0.0523","","","0.1314","0.1445","","","","","","1.035","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082302","7.1813","0.0002","9.8395","0.0002","19.6244","0.0005","90","","90","","90","","1386.67","0.06","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O S2 -","- C14 H14 N2 O S2 -","- C56 H56 N8 O4 S8 -","4","1","","Sheeba, Mani Mary; Muthu Tamizh, Manoharan; Farrugia, Louis J.; Endo, Akira; Karvembu, Ramasamy","Chiral (η6-p-Cymene)ruthenium(II) Complexes Containing Monodentate Acylthiourea Ligands for Efficient Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2014","33","2","540","","10.1021/om4010548","","x-ray","0.71073","MoKα","","0.0219","0.0213","","","0.06","0.0602","","","","","","1.059","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082303","7.2294","0.0002","10.1019","0.0003","19.6732","0.0007","90","","90","","90","","1436.75","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O S -","- C16 H16 N2 O S -","- C64 H64 N8 O4 S4 -","4","1","","Sheeba, Mani Mary; Muthu Tamizh, Manoharan; Farrugia, Louis J.; Endo, Akira; Karvembu, Ramasamy","Chiral (η6-p-Cymene)ruthenium(II) Complexes Containing Monodentate Acylthiourea Ligands for Efficient Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2014","33","2","540","","10.1021/om4010548","","x-ray","0.71073","MoKα","","0.029","0.0258","","","0.0722","0.0734","","","","","","1.081","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082304","9.2537","0.0002","11.8065","0.0001","23.5051","0.0002","90","","90","","90","","2568.02","0.06","100","2","100","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Cl2 N2 O Ru S2 -","- C24 H28 Cl2 N2 O Ru S2 -","- C96 H112 Cl8 N8 O4 Ru4 S8 -","4","1","","Sheeba, Mani Mary; Muthu Tamizh, Manoharan; Farrugia, Louis J.; Endo, Akira; Karvembu, Ramasamy","Chiral (η6-p-Cymene)ruthenium(II) Complexes Containing Monodentate Acylthiourea Ligands for Efficient Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2014","33","2","540","","10.1021/om4010548","","x-ray","0.71073","MoKα","","0.0186","0.018","","","0.045","0.0452","","","","","","1.09","","","","has coordinates,has disorder","178712","2020-10-21","18:00:00",""
"4082305","9.3816","0.0002","11.0801","0.0002","23.9916","0.0004","90","","90","","90","","2493.9","0.08","100","2","100","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Cl2 N2 O2 Ru S -","- C24 H28 Cl2 N2 O2 Ru S -","- C96 H112 Cl8 N8 O8 Ru4 S4 -","4","1","","Sheeba, Mani Mary; Muthu Tamizh, Manoharan; Farrugia, Louis J.; Endo, Akira; Karvembu, Ramasamy","Chiral (η6-p-Cymene)ruthenium(II) Complexes Containing Monodentate Acylthiourea Ligands for Efficient Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2014","33","2","540","","10.1021/om4010548","","x-ray","0.71073","MoKα","","0.0163","0.0159","","","0.0407","0.0409","","","","","","1.035","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082306","9.3854","0.0002","12.0163","0.0003","23.3544","0.0005","90","","90","","90","","2633.86","0.1","100","2","100","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl2 N2 O Ru S -","- C26 H30 Cl2 N2 O Ru S -","- C104 H120 Cl8 N8 O4 Ru4 S4 -","4","1","","Sheeba, Mani Mary; Muthu Tamizh, Manoharan; Farrugia, Louis J.; Endo, Akira; Karvembu, Ramasamy","Chiral (η6-p-Cymene)ruthenium(II) Complexes Containing Monodentate Acylthiourea Ligands for Efficient Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2014","33","2","540","","10.1021/om4010548","","x-ray","0.71073","MoKα","","0.0195","0.0178","","","0.0415","0.0418","","","","","","1.034","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082307","8.6898","0.0002","24.7491","0.0007","10.1917","0.0003","90","","110.519","0.002","90","","2052.81","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Fe O2 P -","- C22 H21 Fe O2 P -","- C88 H84 Fe4 O8 P4 -","4","1","","Cao, Kai; Tsang, Brian; Liu, Yibo; Chelladural, Daniel; Power, William P.; Wang, Xiaosong","Synthesis, Cyclization, and Migration Insertion Oligomerization of CpFe(CO)2(CH2)3PPh2in Solution","Organometallics","2014","33","2","531","","10.1021/om4010516","","","0.71073","MoKα","","0.0938","0.0436","","","0.0787","0.095","","","","","","1.054","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082308","16.281","0.0008","7.8128","0.0004","15.0261","0.0007","90","","110.433","0.002","90","","1791.06","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Fe O P -","- C21 H21 Fe O P -","- C84 H84 Fe4 O4 P4 -","4","1","","Cao, Kai; Tsang, Brian; Liu, Yibo; Chelladural, Daniel; Power, William P.; Wang, Xiaosong","Synthesis, Cyclization, and Migration Insertion Oligomerization of CpFe(CO)2(CH2)3PPh2in Solution","Organometallics","2014","33","2","531","","10.1021/om4010516","","","0.71073","MoKα","","0.0249","0.0219","","","0.0576","0.0621","","","","","","1.065","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082309","10.389","0.0004","12.5243","0.0003","14.4003","0.0004","90","","94.592","0.002","90","","1867.68","0.1","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Fe O2 P -","- C22 H21 Fe O2 P -","- C88 H84 Fe4 O8 P4 -","4","1","","Cao, Kai; Tsang, Brian; Liu, Yibo; Chelladural, Daniel; Power, William P.; Wang, Xiaosong","Synthesis, Cyclization, and Migration Insertion Oligomerization of CpFe(CO)2(CH2)3PPh2in Solution","Organometallics","2014","33","2","531","","10.1021/om4010516","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082310","4.266","0.005","12.434","0.005","35.955","0.005","90","","91.706","0.005","90","","1906","2","200","2","200","2","","","","","","","synthesis as described","6","P 1 2/c 1","-P 2yc","13","","","","- C22.5 H20 Ag0.5 Br0.5 N O2 -","- C22.5 H20 Ag0.5 Br0.5 N O2 -","- C90 H80 Ag2 Br2 N4 O8 -","4","1","","Ortiz, Alba M.; Gómez-Sal, Pilar; Flores, Juan C.; de Jesús, Ernesto","Learning about Steric Effects in NHC Complexes from a 1D Silver Coordination Polymer with Fréchet Dendrons","Organometallics","2014","33","2","600","","10.1021/om401060u","","x-ray","0.71069","MoKα","","0.0952","0.0541","","","0.1315","0.1505","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082311","8.5691","0.0007","11.5133","0.001","16.3558","0.0014","100.578","0.001","95.488","0.001","106.752","0.001","1499.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Cl2 N2 Rh2 -","- C32 H38 Cl2 N2 Rh2 -","- C64 H76 Cl4 N4 Rh4 -","2","1","","Zhang, Long; Li, Hao; Weng, Lin-Hong; Jin, Guo-Xin","Isomers of Cyclometalated Macrocycles Constructed through Olefinic C‒H Activation","Organometallics","2014","33","2","587","","10.1021/om4011559","","","0.71073","MoKα","","0.0459","0.0315","","","0.0933","0.1491","","","","","","1.162","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082312","21.325","0.004","9.702","0.002","15.081","0.003","90","","97.507","0.003","90","","3093.4","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Cl2 Ir2 N2 O -","- C32 H40 Cl2 Ir2 N2 O -","- C128 H160 Cl8 Ir8 N8 O4 -","4","0.5","","Zhang, Long; Li, Hao; Weng, Lin-Hong; Jin, Guo-Xin","Isomers of Cyclometalated Macrocycles Constructed through Olefinic C‒H Activation","Organometallics","2014","33","2","587","","10.1021/om4011559","","","0.71073","MoKα","","0.0494","0.0396","","","0.0866","0.0893","","","","","","1.289","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082313","7.547","0.003","14.682","0.006","17.714","0.007","90","","98.653","0.005","90","","1940.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl Ir N2 -","- C22 H24 Cl Ir N2 -","- C88 H96 Cl4 Ir4 N8 -","4","1","","Zhang, Long; Li, Hao; Weng, Lin-Hong; Jin, Guo-Xin","Isomers of Cyclometalated Macrocycles Constructed through Olefinic C‒H Activation","Organometallics","2014","33","2","587","","10.1021/om4011559","","","0.71073","MoKα","","0.0503","0.0305","","","0.0402","0.043","","","","","","0.794","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082314","11.6837","0.0013","12.1287","0.0013","18.142","0.002","77.59","0.002","80.454","0.002","89.95","0.002","2474.4","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H112 F12 Ir4 N8 O18 S4 -","- C90 H92 F12 Ir4 N8 O14 S4 -","- C90 H92 F12 Ir4 N8 O14 S4 -","1","0.5","","Zhang, Long; Li, Hao; Weng, Lin-Hong; Jin, Guo-Xin","Isomers of Cyclometalated Macrocycles Constructed through Olefinic C‒H Activation","Organometallics","2014","33","2","587","","10.1021/om4011559","","","0.71073","MoKα","","0.0762","0.0548","","","0.1708","0.1921","","","","","","1.066","","","","has coordinates,has disorder","178712","2020-10-21","18:00:00",""
"4082315","23.317","0.003","14.8917","0.0016","16.624","0.0018","90","","98.888","0.002","90","","5703","1.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H140 F12 N8 O18 Rh4 S4 -","- C92 H96 F12 N8 O12 Rh4 S4 -","- C184 H192 F24 N16 O24 Rh8 S8 -","2","0.5","","Zhang, Long; Li, Hao; Weng, Lin-Hong; Jin, Guo-Xin","Isomers of Cyclometalated Macrocycles Constructed through Olefinic C‒H Activation","Organometallics","2014","33","2","587","","10.1021/om4011559","","","0.71073","MoKα","","0.0638","0.0531","","","0.161","0.1707","","","","","","1.09","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082316","15.987","0.006","34.473","0.013","19.523","0.008","90","","101.423","0.006","90","","10546","7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92 H102 F12 N8 O15 Rh4 S4 -","- C92 H96 F12 N8 O12 Rh4 S4 -","- C368 H384 F48 N32 O48 Rh16 S16 -","4","1","","Zhang, Long; Li, Hao; Weng, Lin-Hong; Jin, Guo-Xin","Isomers of Cyclometalated Macrocycles Constructed through Olefinic C‒H Activation","Organometallics","2014","33","2","587","","10.1021/om4011559","","","0.71073","MoKα","","0.1308","0.0631","","","0.1388","0.155","","","","","","0.827","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082317","15.0697","0.0014","16.4871","0.0015","21.966","0.002","107.971","0.002","97.147","0.002","90.421","0.002","5144.9","0.8","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H106 F12 Ir4 N8 O16 S4 -","- C93 H96 F12 Ir4 N8 O13 S4 -","- C186 H192 F24 Ir8 N16 O26 S8 -","2","1","","Zhang, Long; Li, Hao; Weng, Lin-Hong; Jin, Guo-Xin","Isomers of Cyclometalated Macrocycles Constructed through Olefinic C‒H Activation","Organometallics","2014","33","2","587","","10.1021/om4011559","","","0.71073","MoKα","","0.1121","0.066","","","0.1806","0.2186","","","","","","1.007","","","","has coordinates,has disorder","178712","2020-10-21","18:00:00",""
"4082318","6.8588","0.0005","8.5384","0.0005","17.7515","0.0012","86.094","0.003","89.612","0.004","68.163","0.003","962.55","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 B2 Cl2 Fe2 N2 O4 -","- C38 H48 B2 Cl2 Fe2 N2 O4 -","- C38 H48 B2 Cl2 Fe2 N2 O4 -","1","0.5","","Braunschweig, Holger; Damme, Alexander; Dewhurst, Rian D.; Kramer, Thomas; Krummenacher, Ivo; Phukan, Ashwini K.","Short Survey of the Chemical Reduction Behavior of the Base-Stabilized Iron Dichloroboryl Complexes [(η5-C5Me5)Fe(CO)2BCl2(LB)]","Organometallics","2014","33","2","604","","10.1021/om401176h","","","0.71073","MoKα","","0.0616","0.0466","","","0.1102","0.1153","","","","","","1.161","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082319","12.6114","0.0002","13.0423","0.0002","15.2552","0.0002","72.1088","0.0014","67.2559","0.0015","89.7454","0.0015","2183.42","0.07","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H35 Cl F3 Ir N5 -","- C41 H35 Cl F3 Ir N5 -","- C82 H70 Cl2 F6 Ir2 N10 -","2","1","","Chianese, Anthony R.; Drance, Myles J.; Jensen, Kelsey H.; McCollom, Samuel P.; Yusufova, Nevin; Shaner, Sarah E.; Shopov, Dimitar Y.; Tendler, Jennifer A.","Acceptorless Alkane Dehydrogenation Catalyzed by Iridium CCC-Pincer Complexes","Organometallics","2014","33","2","457","","10.1021/om4006577","","x-ray","0.7107","MoKα","","0.0333","0.0278","","0.0681","0.0657","0.0681","","","","","","1.0027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082320","9.6026","0.0008","14.5545","0.0011","15.262","0.0011","77.741","0.006","74.571","0.006","74.955","0.007","1962","0.3","109.95","0.1","109.95","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 Cl3 Ir N4 -","- C39 H35 Cl3 Ir N4 -","- C78 H70 Cl6 Ir2 N8 -","2","1","","Chianese, Anthony R.; Drance, Myles J.; Jensen, Kelsey H.; McCollom, Samuel P.; Yusufova, Nevin; Shaner, Sarah E.; Shopov, Dimitar Y.; Tendler, Jennifer A.","Acceptorless Alkane Dehydrogenation Catalyzed by Iridium CCC-Pincer Complexes","Organometallics","2014","33","2","457","","10.1021/om4006577","","x-ray","1.5418","CuKα","","0.0415","0.0354","","0.0949","0.0924","0.0949","","","","","","1.0197","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082321","10.4019","0.0006","7.6938","0.0005","25.6897","0.0015","90","","100.823","0.005","90","","2019.4","0.2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Br N4 O3 P Re -","- C14 H15 Br N4 O3 P Re -","- C56 H60 Br4 N16 O12 P4 Re4 -","4","1","","Sklorz, Julian A. W.; Hoof, Santina; Sommer, Michael G.; Weißer, Fritz; Weber, Manuela; Wiecko, Jelena; Sarkar, Biprajit; Müller, Christian","Triazaphospholes versus Triazoles: An Investigation of the Differences between “Click”-Derived Chelating Phosphorus- and Nitrogen-Containing Heterocycles","Organometallics","2014","33","2","511","","10.1021/om4010077","","","0.71073","MoKα","","0.0548","0.041","","","0.1024","0.1078","","","","","","0.938","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082322","11.0499","0.001","7.6838","0.0004","26.1","0.002","90","","100.745","0.007","90","","2177.2","0.3","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","SH64","","- C13 H15 Br N4 O3 P Re Si -","- C13 H15 Br N4 O3 P Re Si -","- C52 H60 Br4 N16 O12 P4 Re4 Si4 -","4","1","","Sklorz, Julian A. W.; Hoof, Santina; Sommer, Michael G.; Weißer, Fritz; Weber, Manuela; Wiecko, Jelena; Sarkar, Biprajit; Müller, Christian","Triazaphospholes versus Triazoles: An Investigation of the Differences between “Click”-Derived Chelating Phosphorus- and Nitrogen-Containing Heterocycles","Organometallics","2014","33","2","511","","10.1021/om4010077","","","0.71073","MoKα","","0.0683","0.0527","","","0.1331","0.1412","","","","","","0.953","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082323","7.6834","0.0007","10.354","0.0009","13.0783","0.0011","79.26","0.007","76.666","0.007","86.164","0.007","994.34","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Br N4 O3 Re -","- C15 H16 Br N4 O3 Re -","- C30 H32 Br2 N8 O6 Re2 -","2","1","","Sklorz, Julian A. W.; Hoof, Santina; Sommer, Michael G.; Weißer, Fritz; Weber, Manuela; Wiecko, Jelena; Sarkar, Biprajit; Müller, Christian","Triazaphospholes versus Triazoles: An Investigation of the Differences between “Click”-Derived Chelating Phosphorus- and Nitrogen-Containing Heterocycles","Organometallics","2014","33","2","511","","10.1021/om4010077","","","0.71073","MoKα","","0.0397","0.0313","","","0.0742","0.0764","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082324","14.1775","0.0016","12.6712","0.0018","10.9575","0.0013","90","","90","","90","","1968.5","0.4","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","SH63","","- C14 H16 Br N4 O3 Re Si -","- C14 H16 Br N4 O3 Re Si -","- C56 H64 Br4 N16 O12 Re4 Si4 -","4","1","","Sklorz, Julian A. W.; Hoof, Santina; Sommer, Michael G.; Weißer, Fritz; Weber, Manuela; Wiecko, Jelena; Sarkar, Biprajit; Müller, Christian","Triazaphospholes versus Triazoles: An Investigation of the Differences between “Click”-Derived Chelating Phosphorus- and Nitrogen-Containing Heterocycles","Organometallics","2014","33","2","511","","10.1021/om4010077","","","0.71073","MoKα","","0.1098","0.0491","","","0.1003","0.1264","","","","","","0.884","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082325","11.2997","0.0004","14.9484","0.0005","31.7286","0.0011","90","","90","","90","","5359.4","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H48 N2 Zn -","- C28 H48 N2 Zn -","- C224 H384 N16 Zn8 -","8","1","","Chilleck, Maren A.; Braun, Thomas; Braun, Beatrice; Mebs, Stefan","Neutral and Cationic Zinc Complexes with N- and S-Donor-Functionalized Cyclopentadienyl Ligands","Organometallics","2014","33","2","551","","10.1021/om401076g","","","0.71073","MoKα","","0.0827","0.0432","","","0.0897","0.0985","","","","","","0.982","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082326","12.2087","0.0004","10.6001","0.0005","12.4866","0.0005","90","","90","","90","","1615.93","0.11","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H29 N Zn -","- C16 H29 N Zn -","- C64 H116 N4 Zn4 -","4","1","","Chilleck, Maren A.; Braun, Thomas; Braun, Beatrice; Mebs, Stefan","Neutral and Cationic Zinc Complexes with N- and S-Donor-Functionalized Cyclopentadienyl Ligands","Organometallics","2014","33","2","551","","10.1021/om401076g","","","0.71073","MoKα","","0.0479","0.0371","","","0.0836","0.0871","","","","","","1.018","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082327","8.5872","0.0005","16.2279","0.001","16.4692","0.0009","90","","101.634","0.004","90","","2247.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 N Zn -","- C24 H39 N Zn -","- C96 H156 N4 Zn4 -","4","1","","Chilleck, Maren A.; Braun, Thomas; Braun, Beatrice; Mebs, Stefan","Neutral and Cationic Zinc Complexes with N- and S-Donor-Functionalized Cyclopentadienyl Ligands","Organometallics","2014","33","2","551","","10.1021/om401076g","","","0.71073","MoKα","","0.1259","0.0814","","","0.1761","0.1986","","","","","","1.095","","","","has coordinates,has disorder","178712","2020-10-21","18:00:00",""
"4082328","8.293","0.0004","14.0331","0.0007","15.2163","0.0007","90","","90","","90","","1770.82","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 Cl N2 Zn -","- C16 H29 Cl N2 Zn -","- C64 H116 Cl4 N8 Zn4 -","4","1","","Chilleck, Maren A.; Braun, Thomas; Braun, Beatrice; Mebs, Stefan","Neutral and Cationic Zinc Complexes with N- and S-Donor-Functionalized Cyclopentadienyl Ligands","Organometallics","2014","33","2","551","","10.1021/om401076g","","","0.71073","MoKα","","0.0363","0.0324","","","0.0785","0.0801","","","","","","1.043","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082329","17.126","0.003","8.1375","0.0014","24.219","0.002","90","","135","0.005","90","","2386.6","0.7","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C24 H38 S2 Zn -","- C24 H38 S2 Zn -","- C96 H152 S8 Zn4 -","4","1","","Chilleck, Maren A.; Braun, Thomas; Braun, Beatrice; Mebs, Stefan","Neutral and Cationic Zinc Complexes with N- and S-Donor-Functionalized Cyclopentadienyl Ligands","Organometallics","2014","33","2","551","","10.1021/om401076g","","","1.54178","CuKα","","0.0657","0.0638","","","0.1835","0.1842","","","","","","1.287","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082330","9.768","0.0005","16.7346","0.001","21.5019","0.0013","90","","90","","90","","3514.8","0.3","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 Cl2 F6 Ga N2 Sb -","- C33 H50 Cl2 F6 Ga N2 Sb -","- C132 H200 Cl8 F24 Ga4 N8 Sb4 -","4","1","","Bour, Christophe; Monot, Julien; Tang, Shun; Guillot, Régis; Farjon, Jonathan; Gandon, Vincent","Structure, Stability, and Catalytic Activity of Fluorine-Bridged Complexes IPr·GaCl2(μ-F)EFn‒1(EFn‒= SbF6‒, PF6‒, or BF4‒)","Organometallics","2014","33","2","594","","10.1021/om4012054","","x-ray","0.71073","MoKα","","0.0682","0.0613","","","0.1757","0.1825","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082331","17.3894","0.0005","51.5072","0.0016","10.9303","0.0003","90","","90","","90","","9790","0.5","100","1","100","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C28 H38 B Cl4 F4 Ga N2 -","- C28 H38 B Cl4 F4 Ga N2 -","- C336 H456 B12 Cl48 F48 Ga12 N24 -","12","1.5","","Bour, Christophe; Monot, Julien; Tang, Shun; Guillot, Régis; Farjon, Jonathan; Gandon, Vincent","Structure, Stability, and Catalytic Activity of Fluorine-Bridged Complexes IPr·GaCl2(μ-F)EFn‒1(EFn‒= SbF6‒, PF6‒, or BF4‒)","Organometallics","2014","33","2","594","","10.1021/om4012054","","x-ray","0.71073","MoKα","","0.0703","0.0554","","","0.1172","0.1232","","","","","","1.107","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082332","11.1823","0.0004","12.5944","0.0005","19.9354","0.0007","90","","90","","90","","2807.59","0.18","100","1","100","1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H37 F4 Ga N2 -","- C27 H37 F4 Ga N2 -","- C108 H148 F16 Ga4 N8 -","4","0.5","","Bour, Christophe; Monot, Julien; Tang, Shun; Guillot, Régis; Farjon, Jonathan; Gandon, Vincent","Structure, Stability, and Catalytic Activity of Fluorine-Bridged Complexes IPr·GaCl2(μ-F)EFn‒1(EFn‒= SbF6‒, PF6‒, or BF4‒)","Organometallics","2014","33","2","594","","10.1021/om4012054","","x-ray","0.71073","MoKα","","0.0686","0.0461","","","0.1169","0.1265","","","","","","1.052","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082333","10.2109","0.0003","18.4364","0.0004","14.6671","0.0004","90","","104.16","0.001","90","","2677.22","0.12","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 F3 Ga N2 -","- C27 H36 F3 Ga N2 -","- C108 H144 F12 Ga4 N8 -","4","1","","Bour, Christophe; Monot, Julien; Tang, Shun; Guillot, Régis; Farjon, Jonathan; Gandon, Vincent","Structure, Stability, and Catalytic Activity of Fluorine-Bridged Complexes IPr·GaCl2(μ-F)EFn‒1(EFn‒= SbF6‒, PF6‒, or BF4‒)","Organometallics","2014","33","2","594","","10.1021/om4012054","","x-ray","0.71073","MoKα","","0.0626","0.0401","","","0.1012","0.1119","","","","","","1.032","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082334","12.1171","0.0007","10.9863","0.0007","15.686","0.0007","90","","99.8537","0.0016","90","","2057.3","0.2","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O2 Si -","- C24 H20 N2 O2 Si -","- C96 H80 N8 O8 Si4 -","4","1","","Ohshita, Joji; Murakami, Kazuya; Tanaka, Daiki; Ooyama, Yousuke; Mizumo, Tomonobu; Kobayashi, Norifumi; Higashimura, Hideyuki; Nakanishi, Takayuki; Hasegawa, Yasuchika","Synthesis of Group 14 Dipyridinometalloles with Enhanced Electron-Deficient Properties and Solid-State Phosphorescence","Organometallics","2014","33","2","517","","10.1021/om401019b","","","0.71075","MoKα","","","0.0363","","","","0.0967","","","","","","1.039","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082335","8.1668","0.0003","16.6706","0.0007","8.4493","0.0003","90","","96.135","0.001","90","","1143.75","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cr N O2 -","- C13 H11 Cr N O2 -","- C52 H44 Cr4 N4 O8 -","4","1","","Duke, Charles B.; Letterman, Roger G.; Johnson, Jermaine O.; Barr, James W.; Hu, Songnan; Ross, Charles R.; Webster, Charles Edwin; Burkey, Theodore J.","Photochemistry of Chromium Arene Tricarbonyl Complexes with Tethered Pyridinyl and Propenyl Groups: Investigations of the Effect of Ring Size on Chelate Formation, Structure, and Linkage Isomerization","Organometallics","2014","33","2","485","","10.1021/om400928k","","","1.54178","CuKα","","0.0317","0.0316","","","0.0872","0.0873","","","","","","1.055","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082336","8.0221","0.0003","8.1586","0.0003","11.6167","0.0006","101.417","0.002","96.374","0.002","116.347","0.001","650.5","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Cr N O3 -","- C15 H11 Cr N O3 -","- C30 H22 Cr2 N2 O6 -","2","1","","Duke, Charles B.; Letterman, Roger G.; Johnson, Jermaine O.; Barr, James W.; Hu, Songnan; Ross, Charles R.; Webster, Charles Edwin; Burkey, Theodore J.","Photochemistry of Chromium Arene Tricarbonyl Complexes with Tethered Pyridinyl and Propenyl Groups: Investigations of the Effect of Ring Size on Chelate Formation, Structure, and Linkage Isomerization","Organometallics","2014","33","2","485","","10.1021/om400928k","","","1.54178","CuKα","","0.031","0.0303","","","0.0802","0.0808","","","","","","1.083","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082337","10.068","0.0003","9.5743","0.0003","14.9829","0.0005","90","","101.28","0.001","90","","1416.36","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cr N O3 -","- C16 H13 Cr N O3 -","- C64 H52 Cr4 N4 O12 -","4","1","","Duke, Charles B.; Letterman, Roger G.; Johnson, Jermaine O.; Barr, James W.; Hu, Songnan; Ross, Charles R.; Webster, Charles Edwin; Burkey, Theodore J.","Photochemistry of Chromium Arene Tricarbonyl Complexes with Tethered Pyridinyl and Propenyl Groups: Investigations of the Effect of Ring Size on Chelate Formation, Structure, and Linkage Isomerization","Organometallics","2014","33","2","485","","10.1021/om400928k","","","0.71073","MoKα","","0.0393","0.0386","","","0.1038","0.1042","","","","","","1.189","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082338","10.6806","0.0003","7.1967","0.0002","19.2295","0.0005","90","","94.17","0.001","90","","1474.16","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cr N O3 -","- C17 H15 Cr N O3 -","- C68 H60 Cr4 N4 O12 -","4","1","","Duke, Charles B.; Letterman, Roger G.; Johnson, Jermaine O.; Barr, James W.; Hu, Songnan; Ross, Charles R.; Webster, Charles Edwin; Burkey, Theodore J.","Photochemistry of Chromium Arene Tricarbonyl Complexes with Tethered Pyridinyl and Propenyl Groups: Investigations of the Effect of Ring Size on Chelate Formation, Structure, and Linkage Isomerization","Organometallics","2014","33","2","485","","10.1021/om400928k","","","1.54178","CuKα","","0.0257","0.0256","","","0.0707","0.0708","","","","","","1.08","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082339","7.5721","0.0003","8.3761","0.0003","9.7693","0.0004","90.345","0.002","111.723","0.002","92.603","0.002","574.84","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cr N O2 -","- C14 H11 Cr N O2 -","- C28 H22 Cr2 N2 O4 -","2","1","","Duke, Charles B.; Letterman, Roger G.; Johnson, Jermaine O.; Barr, James W.; Hu, Songnan; Ross, Charles R.; Webster, Charles Edwin; Burkey, Theodore J.","Photochemistry of Chromium Arene Tricarbonyl Complexes with Tethered Pyridinyl and Propenyl Groups: Investigations of the Effect of Ring Size on Chelate Formation, Structure, and Linkage Isomerization","Organometallics","2014","33","2","485","","10.1021/om400928k","","","1.54178","CuKα","","0.0243","0.0238","","","0.0657","0.066","","","","","","1.087","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082340","12.6721","0.0008","7.9582","0.0005","13.3139","0.0008","90","","112.072","0.003","90","","1244.27","0.14","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H13 Cr N O2 -","- C15 H13 Cr N O2 -","- C60 H52 Cr4 N4 O8 -","4","1","","Duke, Charles B.; Letterman, Roger G.; Johnson, Jermaine O.; Barr, James W.; Hu, Songnan; Ross, Charles R.; Webster, Charles Edwin; Burkey, Theodore J.","Photochemistry of Chromium Arene Tricarbonyl Complexes with Tethered Pyridinyl and Propenyl Groups: Investigations of the Effect of Ring Size on Chelate Formation, Structure, and Linkage Isomerization","Organometallics","2014","33","2","485","","10.1021/om400928k","","","1.54178","CuKα","","0.055","0.0442","","","0.1315","0.1374","","","","","","1.238","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082341","8.144","0.0004","8.4492","0.0004","19.5487","0.0009","90","","93.754","0.002","90","","1342.27","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Cr N O2 -","- C16 H15 Cr N O2 -","- C64 H60 Cr4 N4 O8 -","4","1","","Duke, Charles B.; Letterman, Roger G.; Johnson, Jermaine O.; Barr, James W.; Hu, Songnan; Ross, Charles R.; Webster, Charles Edwin; Burkey, Theodore J.","Photochemistry of Chromium Arene Tricarbonyl Complexes with Tethered Pyridinyl and Propenyl Groups: Investigations of the Effect of Ring Size on Chelate Formation, Structure, and Linkage Isomerization","Organometallics","2014","33","2","485","","10.1021/om400928k","","","1.54178","CuKα","","0.031","0.0299","","","0.0847","0.0936","","","","","","1.152","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082342","7.9515","0.0003","10.2396","0.0004","11.0854","0.0004","94.457","0.002","110.845","0.001","106.65","0.001","791.7","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cr N O3 -","- C18 H15 Cr N O3 -","- C36 H30 Cr2 N2 O6 -","2","1","","Duke, Charles B.; Letterman, Roger G.; Johnson, Jermaine O.; Barr, James W.; Hu, Songnan; Ross, Charles R.; Webster, Charles Edwin; Burkey, Theodore J.","Photochemistry of Chromium Arene Tricarbonyl Complexes with Tethered Pyridinyl and Propenyl Groups: Investigations of the Effect of Ring Size on Chelate Formation, Structure, and Linkage Isomerization","Organometallics","2014","33","2","485","","10.1021/om400928k","","","1.54178","CuKα","","0.029","0.0272","","","0.0754","0.0765","","","","","","1.047","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082343","7.8042","0.0004","7.8665","0.0004","12.8562","0.0008","107.71","0.002","94.853","0.003","108.797","0.002","697.01","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Cr N O2 -","- C17 H15 Cr N O2 -","- C34 H30 Cr2 N2 O4 -","2","1","","Duke, Charles B.; Letterman, Roger G.; Johnson, Jermaine O.; Barr, James W.; Hu, Songnan; Ross, Charles R.; Webster, Charles Edwin; Burkey, Theodore J.","Photochemistry of Chromium Arene Tricarbonyl Complexes with Tethered Pyridinyl and Propenyl Groups: Investigations of the Effect of Ring Size on Chelate Formation, Structure, and Linkage Isomerization","Organometallics","2014","33","2","485","","10.1021/om400928k","","","1.54178","CuKα","","0.0358","0.035","","","0.0948","0.0955","","","","","","1.062","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082344","11.2163","0.0005","9.8121","0.0004","12.7619","0.0005","90","","90.176","0.002","90","","1404.51","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cr N O2 -","- C17 H15 Cr N O2 -","- C68 H60 Cr4 N4 O8 -","4","1","","Duke, Charles B.; Letterman, Roger G.; Johnson, Jermaine O.; Barr, James W.; Hu, Songnan; Ross, Charles R.; Webster, Charles Edwin; Burkey, Theodore J.","Photochemistry of Chromium Arene Tricarbonyl Complexes with Tethered Pyridinyl and Propenyl Groups: Investigations of the Effect of Ring Size on Chelate Formation, Structure, and Linkage Isomerization","Organometallics","2014","33","2","485","","10.1021/om400928k","","","1.54178","CuKα","","0.0344","0.0326","","","0.0861","0.0876","","","","","","1.081","","","","has coordinates,has disorder","178712","2020-10-21","18:00:00",""
"4082345","15.04543","0.00017","15.4169","0.00017","21.5872","0.0003","90","","108.935","0.0014","90","","4736.27","0.11","109.9","0.14","109.9","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H42 Ir N4 -","- C47 H42 Ir N4 -","- C188 H168 Ir4 N16 -","4","1","","Knapp, Spring Melody M.; Shaner, Sarah E.; Kim, Daniel; Shopov, Dimitar Y.; Tendler, Jennifer A.; Pudalov, David M.; Chianese, Anthony R.","Mechanistic Studies of Alkene Isomerization Catalyzed by CCC-Pincer Complexes of Iridium","Organometallics","2014","33","2","473","","10.1021/om400786r","","x-ray","1.5418","CuKα","","0.0467","0.0435","","0.1223","0.1179","0.1223","","","","","","1.0038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082346","13.4677","0.0012","13.0152","0.0012","14.0491","0.0013","90","","101.833","0.002","90","","2410.3","0.4","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C45 H47 Cl F12 N O2 P2 Rh Sb2 -","- C45 H47 Cl F12 N O2 P2 Rh Sb2 -","- C90 H94 Cl2 F24 N2 O4 P4 Rh2 Sb4 -","2","1","","Carmona, Daniel; Méndez, Isabel; Rodr\?íguez, Ricardo; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Metal‒Nitroalkene andaci-Nitro Intermediates in Catalytic Enantioselective Friedel‒Crafts Reactions of Indoles withtrans-β-Nitrostyrenes","Organometallics","2014","33","2","443","","10.1021/om401125q","","","0.71073","MoKα","","0.1182","0.0546","","","0.0964","0.1181","","","","","","0.97","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082347","20.018","0.002","24.33","0.003","15.287","0.002","90","","117.706","0.016","90","","6591.7","1.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 N4 O14 Re4 Se4 -","- C62 H48 N4 O14 Re4 Se4 -","- C248 H192 N16 O56 Re16 Se16 -","4","0.5","","Manimaran, Bala.; Vanitha, A.; Karthikeyan, M.; Ramakrishna, Buthanapalli; Mobin, Shaikh M.","Self-Assembly of Selenium-Bridged Rhenium(I)-Based Metalla Rectangles: Synthesis, Characterization, and Molecular Recognition Studies","Organometallics","2014","33","2","465","","10.1021/om400673f","","","0.71073","MoKα","","0.0272","0.0185","","","0.0383","0.0391","","","","","","0.954","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082348","13.1194","0.0003","20.1363","0.0005","15.8113","0.0004","90","","107.078","0.002","90","","3992.79","0.17","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 Cl5 N2 O6 Re2 Se2 -","- C34 H30 Cl4 N2 O6 Re2 Se2 -","- C136 H120 Cl16 N8 O24 Re8 Se8 -","4","1","","Manimaran, Bala.; Vanitha, A.; Karthikeyan, M.; Ramakrishna, Buthanapalli; Mobin, Shaikh M.","Self-Assembly of Selenium-Bridged Rhenium(I)-Based Metalla Rectangles: Synthesis, Characterization, and Molecular Recognition Studies","Organometallics","2014","33","2","465","","10.1021/om400673f","","","0.71073","MoKα","","0.0276","0.0216","","","0.0471","0.0499","","","","","","1.045","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082349","11.1407","0.0003","13.8641","0.0003","23.4548","0.0005","92.962","0.002","102.495","0.002","108.16","0.002","3332.94","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H50 Cl2 N4 O12 Re4 Se4 -","- C65 H50 Cl2 N4 O12 Re4 Se4 -","- C130 H100 Cl4 N8 O24 Re8 Se8 -","2","1","","Manimaran, Bala.; Vanitha, A.; Karthikeyan, M.; Ramakrishna, Buthanapalli; Mobin, Shaikh M.","Self-Assembly of Selenium-Bridged Rhenium(I)-Based Metalla Rectangles: Synthesis, Characterization, and Molecular Recognition Studies","Organometallics","2014","33","2","465","","10.1021/om400673f","","","0.71073","MoKα","","0.134","0.0632","","","0.0923","0.1065","","","","","","0.93","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082350","27.1459","0.0007","10.9151","0.0002","30.7886","0.0009","90","","111.97","0.003","90","","8460.2","0.4","150.4","0.6","150.4","0.6","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H67 Cl4 N4 O12 Re4 Se4 -","- C88 H67 Cl4 N4 O12 Re4 Se4 -","- C352 H268 Cl16 N16 O48 Re16 Se16 -","4","1","","Manimaran, Bala.; Vanitha, A.; Karthikeyan, M.; Ramakrishna, Buthanapalli; Mobin, Shaikh M.","Self-Assembly of Selenium-Bridged Rhenium(I)-Based Metalla Rectangles: Synthesis, Characterization, and Molecular Recognition Studies","Organometallics","2014","33","2","465","","10.1021/om400673f","","","0.7107","MoKα","","0.0519","0.0349","","","0.0789","0.0861","","","","","","1.025","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082351","16.7322","0.0003","12.9415","0.0002","19.7673","0.0003","90","","93.4932","0.0016","90","","4272.45","0.12","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H68 N4 O12 Re4 Se4 -","- C96 H68 N4 O12 Re4 Se4 -","- C192 H136 N8 O24 Re8 Se8 -","2","0.5","","Manimaran, Bala.; Vanitha, A.; Karthikeyan, M.; Ramakrishna, Buthanapalli; Mobin, Shaikh M.","Self-Assembly of Selenium-Bridged Rhenium(I)-Based Metalla Rectangles: Synthesis, Characterization, and Molecular Recognition Studies","Organometallics","2014","33","2","465","","10.1021/om400673f","","","0.7107","MoKα","","0.0453","0.0353","","","0.0885","0.0956","","","","","","1.046","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082352","16.3581","0.0016","16.6364","0.0018","17.0039","0.0019","90","","90","","90","","4627.4","0.9","173","","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H24 Cl3 Fe N2 -","- C21 H24 Cl3 Fe N2 -","- C168 H192 Cl24 Fe8 N16 -","8","2","","Hashimoto, Takayoshi; Hoshino, Ryoko; Hatanaka, Tsubasa; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Dinuclear Iron(0) Complexes of N-Heterocyclic Carbenes","Organometallics","2014","33","4","921","","10.1021/om401039z","","","0.7107","MoKα","","","0.0367","","","","0.0812","","","","","","1.003","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082353","18.235","0.002","16.2328","0.0017","20.16","0.003","90","","102.897","0.0016","90","","5816.9","1.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Cl3 Fe N2 -","- C27 H36 Cl3 Fe N2 -","- C216 H288 Cl24 Fe8 N16 -","8","2","","Hashimoto, Takayoshi; Hoshino, Ryoko; Hatanaka, Tsubasa; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Dinuclear Iron(0) Complexes of N-Heterocyclic Carbenes","Organometallics","2014","33","4","921","","10.1021/om401039z","","","0.7107","MoKα","","","0.0478","","","","0.0837","","","","","","1.005","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082354","8.474","0.002","9.88","0.003","14.618","0.003","74.08","0.013","73.538","0.014","75.082","0.012","1107","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Cl3 Fe N2 -","- C21 H24 Cl3 Fe N2 -","- C42 H48 Cl6 Fe2 N4 -","2","1","","Hashimoto, Takayoshi; Hoshino, Ryoko; Hatanaka, Tsubasa; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Dinuclear Iron(0) Complexes of N-Heterocyclic Carbenes","Organometallics","2014","33","4","921","","10.1021/om401039z","","","0.7107","MoKα","","","0.0407","","","","0.0838","","","","","","1.002","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082355","16.021","0.002","11.6893","0.0015","17.185","0.003","90","","90","","90","","3218.3","0.8","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H20 Cl3 Fe N2 -","- C11 H20 Cl3 Fe N2 -","- C88 H160 Cl24 Fe8 N16 -","8","1","","Hashimoto, Takayoshi; Hoshino, Ryoko; Hatanaka, Tsubasa; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Dinuclear Iron(0) Complexes of N-Heterocyclic Carbenes","Organometallics","2014","33","4","921","","10.1021/om401039z","","","0.7107","MoKα","","","0.0409","","","","0.0724","","","","","","1.004","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082356","21.81","0.005","8.3183","0.0015","21.827","0.004","90","","109.513","0.003","90","","3732.5","1.3","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Fe2 N4 -","- C42 H48 Fe2 N4 -","- C168 H192 Fe8 N16 -","4","0.5","","Hashimoto, Takayoshi; Hoshino, Ryoko; Hatanaka, Tsubasa; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Dinuclear Iron(0) Complexes of N-Heterocyclic Carbenes","Organometallics","2014","33","4","921","","10.1021/om401039z","","","0.71075","MoKα","","","0.0371","","","","0.0696","","","","","","1.004","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082357","16.7323","0.0014","14.9184","0.0011","21.0208","0.0018","90","","110.969","0.0011","90","","4899.7","0.7","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 Fe2 N4 -","- C54 H72 Fe2 N4 -","- C216 H288 Fe8 N16 -","4","1","","Hashimoto, Takayoshi; Hoshino, Ryoko; Hatanaka, Tsubasa; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Dinuclear Iron(0) Complexes of N-Heterocyclic Carbenes","Organometallics","2014","33","4","921","","10.1021/om401039z","","","0.7107","MoKα","","","0.0376","","","","0.0788","","","","","","1.004","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082358","18.42","0.003","16.442","0.003","7.6404","0.0014","90","","99.65","0.003","90","","2281.2","0.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Fe N2 O4 -","- C25 H24 Fe N2 O4 -","- C100 H96 Fe4 N8 O16 -","4","1","","Hashimoto, Takayoshi; Hoshino, Ryoko; Hatanaka, Tsubasa; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Dinuclear Iron(0) Complexes of N-Heterocyclic Carbenes","Organometallics","2014","33","4","921","","10.1021/om401039z","","","0.71075","MoKα","","","0.0386","","","","0.0813","","","","","","1.005","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082359","17.345","0.005","9.287","0.003","18.211","0.005","90","","98.59","0.005","90","","2900.6","1.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 Fe N2 O4 -","- C31 H36 Fe N2 O4 -","- C124 H144 Fe4 N8 O16 -","4","1","","Hashimoto, Takayoshi; Hoshino, Ryoko; Hatanaka, Tsubasa; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Dinuclear Iron(0) Complexes of N-Heterocyclic Carbenes","Organometallics","2014","33","4","921","","10.1021/om401039z","","","0.71075","MoKα","","","0.0408","","","","0.0819","","","","","","1.008","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082360","14.106","0.002","23.925","0.004","19.691","0.003","90","","110.488","0.002","90","","6225.1","1.7","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69 H100 Fe2 N8 O2 -","- C69 H100 Fe2 N8 O2 -","- C276 H400 Fe8 N32 O8 -","4","1","","Hashimoto, Takayoshi; Hoshino, Ryoko; Hatanaka, Tsubasa; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Dinuclear Iron(0) Complexes of N-Heterocyclic Carbenes","Organometallics","2014","33","4","921","","10.1021/om401039z","","","0.71075","MoKα","","","0.0448","","","","0.0901","","","","","","1.005","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082361","13.793","0.003","14.151","0.003","13.884","0.003","90","","90","","90","","2709.9","1","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H29 Cl F6 P Rh S2 -","- C24 H29 Cl F6 P Rh S2 -","- C96 H116 Cl4 F24 P4 Rh4 S8 -","4","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K.","(η5-Cp*)Rh(III)/Ir(III) Complexes with Bis(chalcogenoethers) (E, E′ Ligands: E = S/Se; E′ = S/Se): Synthesis, Structure, and Applications in Catalytic Oppenauer-Type Oxidation and Transfer Hydrogenation","Organometallics","2014","33","4","983","","10.1021/om401150s","","","0.71073","MoKα","","0.0513","0.0485","","","0.1098","0.1114","","","","","","1.197","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082362","11.423","0.003","13.377","0.003","19.098","0.005","90","","105.937","0.004","90","","2806.1","1.2","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl F6 P Rh S Se -","- C24 H29 Cl F6 P Rh S Se -","- C96 H116 Cl4 F24 P4 Rh4 S4 Se4 -","4","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K.","(η5-Cp*)Rh(III)/Ir(III) Complexes with Bis(chalcogenoethers) (E, E′ Ligands: E = S/Se; E′ = S/Se): Synthesis, Structure, and Applications in Catalytic Oppenauer-Type Oxidation and Transfer Hydrogenation","Organometallics","2014","33","4","983","","10.1021/om401150s","","","0.71073","MoKα","","0.0802","0.067","","","0.1722","0.1806","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082363","10.1066","0.0018","11.373","0.002","13.202","0.002","104.788","0.003","97.129","0.003","102.721","0.003","1404.8","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H29 Cl F6 P Rh Se2 -","- C24 H29 Cl F6 P Rh Se2 -","- C48 H58 Cl2 F12 P2 Rh2 Se4 -","2","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K.","(η5-Cp*)Rh(III)/Ir(III) Complexes with Bis(chalcogenoethers) (E, E′ Ligands: E = S/Se; E′ = S/Se): Synthesis, Structure, and Applications in Catalytic Oppenauer-Type Oxidation and Transfer Hydrogenation","Organometallics","2014","33","4","983","","10.1021/om401150s","","","0.71073","MoKα","","0.0742","0.057","","","0.1573","0.1826","","","","","","1.077","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082364","13.7555","0.0018","13.7861","0.0018","14.1954","0.0019","90","","90","","90","","2691.9","0.6","298","2","298","2","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C24 H29 Cl F6 Ir P S2 -","- C24 H29 Cl F6 Ir P S2 -","- C96 H116 Cl4 F24 Ir4 P4 S8 -","4","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K.","(η5-Cp*)Rh(III)/Ir(III) Complexes with Bis(chalcogenoethers) (E, E′ Ligands: E = S/Se; E′ = S/Se): Synthesis, Structure, and Applications in Catalytic Oppenauer-Type Oxidation and Transfer Hydrogenation","Organometallics","2014","33","4","983","","10.1021/om401150s","","","0.71073","MoKα","","0.0231","0.021","","","0.0509","0.0517","","","","","","1.055","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082365","11.397","0.002","13.422","0.002","19.075","0.003","90","","106.152","0.003","90","","2802.7","0.8","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl F6 Ir P S Se -","- C24 H29 Cl F6 Ir P S Se -","- C96 H116 Cl4 F24 Ir4 P4 S4 Se4 -","4","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K.","(η5-Cp*)Rh(III)/Ir(III) Complexes with Bis(chalcogenoethers) (E, E′ Ligands: E = S/Se; E′ = S/Se): Synthesis, Structure, and Applications in Catalytic Oppenauer-Type Oxidation and Transfer Hydrogenation","Organometallics","2014","33","4","983","","10.1021/om401150s","","","0.71073","MoKα","","0.0511","0.0416","","","0.1186","0.1248","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082366","11.493","0.003","13.486","0.003","18.986","0.005","90","","106.597","0.004","90","","2820.1","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl F6 Ir P Se2 -","- C24 H29 Cl F6 Ir P Se2 -","- C96 H116 Cl4 F24 Ir4 P4 Se8 -","4","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K.","(η5-Cp*)Rh(III)/Ir(III) Complexes with Bis(chalcogenoethers) (E, E′ Ligands: E = S/Se; E′ = S/Se): Synthesis, Structure, and Applications in Catalytic Oppenauer-Type Oxidation and Transfer Hydrogenation","Organometallics","2014","33","4","983","","10.1021/om401150s","","","0.71073","MoKα","","0.044","0.0354","","","0.0936","0.0982","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082367","17.0367","0.0014","14.566","0.0012","22.0816","0.0018","90","","105.866","0.002","90","","5270.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H72 N O4 P W -","- C56 H72 N O4 P W -","- C224 H288 N4 O16 P4 W4 -","4","1","","O’Reilly, Matthew E.; Nadif, Soufiane S.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Synthesis and Characterization of Tungsten Alkylidene and Alkylidyne Complexes Supported by a New Pyrrolide-Centered Trianionic ONO3‒Pincer-Type Ligand","Organometallics","2014","33","4","836","","10.1021/om4009422","","","0.71073","MoKα","","0.0686","0.0347","","","0.0563","0.064","","","","","","1.008","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082368","13.7429","0.0016","14.395","0.003","15.495","0.002","113.67","0.014","92.1","0.012","107.252","0.01","2638.3","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32.5 H22 Cl2 N4 Pt -","- C32.5 H22 Cl2 N4 Pt -","- C130 H88 Cl8 N16 Pt4 -","4","2","","Dorazco-Gonzalez, Alejandro","Chemosensing of Chloride Based on a Luminescent Platinum(II) NCN Pincer Complex in Aqueous Media","Organometallics","2014","33","4","868","","10.1021/om4007054","","","0.71073","MoKα","","0.0816","0.0488","","","0.0933","0.1089","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082369","10.2376","0.0014","13.9057","0.0014","20.227","0.002","90","","94.092","0.01","90","","2872.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 Cl2 I N4 Pt -","- C33 H23 Cl2 I N4 Pt -","- C132 H92 Cl8 I4 N16 Pt4 -","4","1","","Dorazco-Gonzalez, Alejandro","Chemosensing of Chloride Based on a Luminescent Platinum(II) NCN Pincer Complex in Aqueous Media","Organometallics","2014","33","4","868","","10.1021/om4007054","","","0.71073","MoKα","","0.0504","0.0389","","","0.0645","0.0681","","","","","","1.142","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082370","14.3009","0.0006","14.0597","0.0006","14.6315","0.0006","90","","95.564","0.002","90","","2928","0.2","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25.831 H39.493 I1.085 N5.915 Ta -","- C25.8308 H39.4924 I1.0846 N5.9154 Ta -","- C103.323 H157.97 I4.3384 N23.6616 Ta4 -","4","1","","Helgert, Theodore R.; Hollis, T. Keith; Oliver, Allen G.; Valle, Henry U.; Wu, Yunshan; Webster, Charles Edwin","Synthesis, Characterization, and X-ray Molecular Structure of Tantalum CCC-N-Heterocyclic Carbene (CCC-NHC) Pincer Complexes with Imidazole- and Triazole-Based Ligands","Organometallics","2014","33","4","952","","10.1021/om401063e","","","0.71073","MoKα","","0.0455","0.0327","","","0.0736","0.0827","","","","","","1.068","","","","has coordinates,has disorder","178712","2020-10-21","18:00:00",""
"4082371","14.318","0.0005","14.0456","0.0004","14.6775","0.0004","90","","95.171","0.001","90","","2939.7","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 I N6 Ta -","- C26 H40 I N6 Ta -","- C104 H160 I4 N24 Ta4 -","4","1","","Helgert, Theodore R.; Hollis, T. Keith; Oliver, Allen G.; Valle, Henry U.; Wu, Yunshan; Webster, Charles Edwin","Synthesis, Characterization, and X-ray Molecular Structure of Tantalum CCC-N-Heterocyclic Carbene (CCC-NHC) Pincer Complexes with Imidazole- and Triazole-Based Ligands","Organometallics","2014","33","4","952","","10.1021/om401063e","","","1.54178","CuKα","","0.1503","0.1444","","","0.3719","0.396","","","","","","1.501","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082372","14.3127","0.0011","14.0503","0.0011","14.6499","0.0012","90","","95.453","0.003","90","","2932.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25.91 H39.74 I1.04 N5.96 Ta -","- C25.9112 H39.7336 I1.0444 N5.9556 Ta -","- C103.645 H158.934 I4.1776 N23.8224 Ta4 -","4","1","","Helgert, Theodore R.; Hollis, T. Keith; Oliver, Allen G.; Valle, Henry U.; Wu, Yunshan; Webster, Charles Edwin","Synthesis, Characterization, and X-ray Molecular Structure of Tantalum CCC-N-Heterocyclic Carbene (CCC-NHC) Pincer Complexes with Imidazole- and Triazole-Based Ligands","Organometallics","2014","33","4","952","","10.1021/om401063e","","","0.71073","MoKα","","0.0533","0.0396","","","0.0913","0.0995","","","","","","1.049","","","","has coordinates,has disorder","178712","2020-10-21","18:00:00",""
"4082373","10.6851","0.0012","10.9572","0.0012","24.299","0.003","89.884","0.001","84.039","0.001","86.73","0.001","2824.9","0.6","100","","100.13","","","","","","","","","5","P -1","-P 1","2","","TH-6-116","","- C24 H38 I N8 Ta -","- C24 H38 I N8 Ta -","- C96 H152 I4 N32 Ta4 -","4","2","","Helgert, Theodore R.; Hollis, T. Keith; Oliver, Allen G.; Valle, Henry U.; Wu, Yunshan; Webster, Charles Edwin","Synthesis, Characterization, and X-ray Molecular Structure of Tantalum CCC-N-Heterocyclic Carbene (CCC-NHC) Pincer Complexes with Imidazole- and Triazole-Based Ligands","Organometallics","2014","33","4","952","","10.1021/om401063e","","","0.71073","","","0.0252","0.0241","","","","0.0617","","","","","","1.1452","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4082374","7.7945","0.0011","25.126","0.003","9.1795","0.0012","90","","97.415","0.004","90","","1782.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Fe2 O10 S2 -","- C12 H10 Fe2 O10 S2 -","- C48 H40 Fe8 O40 S8 -","4","1","","Poh, Hwa Tiong; Sim, Bai Ting; Chwee, Tsz Sian; Leong, Weng Kee; Fan, Wai Yip","The Dithiolate-Bridged Diiron Hexacarbonyl Complex Na2[(μ-SCH2CH2COO)Fe(CO)3]2as a Water-Soluble PhotoCORM","Organometallics","2014","33","4","959","","10.1021/om401013a","","","0.71073","MoKα","","0.1039","0.0697","","","0.127","0.1376","","","","","","1.092","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082375","10.932","0.002","12.407","0.002","13.125","0.0013","90","","103.917","0.012","90","","1727.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Cl2 Co2 N4 O4 -","- C38 H40 Cl2 Co2 N4 O4 -","- C76 H80 Cl4 Co4 N8 O8 -","2","0.5","","Siega, Patrizia; Dreos, Renata; Brancatelli, Giovanna; Zangrando, Ennio; Tavagnacco, Claudio; Vrdoljak, Višnja; Hrenar, Tomica","A Novel Series of CoIII(salen-type) Complexes Containing a Seven-Membered Metallacycle: Synthesis, Structural Characterization and Factors Affecting the Metallacyclization Rate","Organometallics","2014","33","4","909","","10.1021/om401038v","","","1.5418","CuKα","","0.0765","0.0655","","","0.1772","0.186","","","","","","1.071","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082376","23.85","0.0018","16.201","0.0011","12.761","0.009","90","","90","","90","","4931","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H27 Cl Co N3 O7 -","- C24 H27 Cl Co N3 O7 -","- C192 H216 Cl8 Co8 N24 O56 -","8","1","","Siega, Patrizia; Dreos, Renata; Brancatelli, Giovanna; Zangrando, Ennio; Tavagnacco, Claudio; Vrdoljak, Višnja; Hrenar, Tomica","A Novel Series of CoIII(salen-type) Complexes Containing a Seven-Membered Metallacycle: Synthesis, Structural Characterization and Factors Affecting the Metallacyclization Rate","Organometallics","2014","33","4","909","","10.1021/om401038v","","","1","synchrotron","","0.0558","0.0557","","","0.1391","0.1394","","","","","","1.2","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082377","19.993","0.003","12.989","0.003","24.117","0.003","90","","94.69","0.03","90","","6242","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H28.5 Cl5.5 Co N3 O7 -","- C25.5 H28.5 Cl5.5 Co N3 O7 -","- C204 H228 Cl44 Co8 N24 O56 -","8","1","","Siega, Patrizia; Dreos, Renata; Brancatelli, Giovanna; Zangrando, Ennio; Tavagnacco, Claudio; Vrdoljak, Višnja; Hrenar, Tomica","A Novel Series of CoIII(salen-type) Complexes Containing a Seven-Membered Metallacycle: Synthesis, Structural Characterization and Factors Affecting the Metallacyclization Rate","Organometallics","2014","33","4","909","","10.1021/om401038v","","","1.5418","CuKα","","0.0958","0.067","","","0.1759","0.1973","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082378","12.446","0.003","19.325","0.004","17.213","0.004","90","","97.867","0.005","90","","4101.1","1.6","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H64.5 N4 O2 Zr -","- C38 H64.5 N4 O2 Zr -","- C152 H258 N16 O8 Zr4 -","4","1","","Sun, Qiu; Wang, Yaorong; Yuan, Dan; Yao, Yingming; Shen, Qi","Synthesis of Group 4 Metal Complexes Stabilized by an Amine-Bridged Bis(phenolato) Ligand and Their Catalytic Behavior in Intermolecular Hydroamination Reactions","Organometallics","2014","33","4","994","","10.1021/om401158a","","","0.71075","MoKα","","0.1081","0.0861","","","0.2061","0.224","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082379","8.6359","0.0005","21.8818","0.0013","20.8278","0.0012","90","","97.971","0.001","90","","3897.8","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 Cl5 F6 N5 P Ru -","- C37 H33 Cl5 F6 N5 P Ru -","- C148 H132 Cl20 F24 N20 P4 Ru4 -","4","1","","Du, Wangming; Wang, Qingfu; Wang, Liandi; Yu, Zhengkun","Ruthenium Complex Catalysts Supported by a Bis(trifluoromethyl)pyrazolyl‒Pyridyl-Based NNN Ligand for Transfer Hydrogenation of Ketones","Organometallics","2014","33","4","974","","10.1021/om401144u","","","0.71073","MoKα","","0.0557","0.045","","","0.1252","0.1336","","","","","","1.022","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082380","27.139","0.004","11.189","0.0019","13.706","0.002","90","","104.292","0.003","90","","4033.1","1.1","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 B P -","- C52 H46 B P -","- C208 H184 B4 P4 -","4","1","","Li, Yufei; Kang, Youngjin; Lu, Jia-Sheng; Wyman, Ian; Ko, Soo-Byung; Wang, Suning","A Dual-Emissive Phosphine‒Borane Lewis Pair with a U-Shaped Linker: Impact of Methylation and Complexation on Fluoride Binding Affinity","Organometallics","2014","33","4","964","","10.1021/om4011406","","","0.71073","MoKα","","0.1026","0.0585","","","0.1402","0.1648","","","","","","1.037","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082381","21.703","0.003","14.949","0.002","32.914","0.005","90","","107.259","0.002","90","","10198","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H96 Au B2 Cl13 P2 -","- C108 H96 Au B2 Cl13 P2 -","- C432 H384 Au4 B8 Cl52 P8 -","4","0.5","","Li, Yufei; Kang, Youngjin; Lu, Jia-Sheng; Wyman, Ian; Ko, Soo-Byung; Wang, Suning","A Dual-Emissive Phosphine‒Borane Lewis Pair with a U-Shaped Linker: Impact of Methylation and Complexation on Fluoride Binding Affinity","Organometallics","2014","33","4","964","","10.1021/om4011406","","","0.71073","MoKα","","0.1156","0.0696","","","0.1463","0.1706","","","","","","1.041","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082382","8.588","0.0014","12.0714","0.0019","20.917","0.003","75.467","0.002","83.659","0.002","84.927","0.002","2082.1","0.6","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 B Cl P Pt0.5 -","- C52 H46 B Cl P Pt0.5 -","- C104 H92 B2 Cl2 P2 Pt -","2","1","","Li, Yufei; Kang, Youngjin; Lu, Jia-Sheng; Wyman, Ian; Ko, Soo-Byung; Wang, Suning","A Dual-Emissive Phosphine‒Borane Lewis Pair with a U-Shaped Linker: Impact of Methylation and Complexation on Fluoride Binding Affinity","Organometallics","2014","33","4","964","","10.1021/om4011406","","","0.71073","MoKα","","0.1814","0.0731","","","0.0946","0.1207","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082383","7.2519","0.0015","6.9084","0.0014","25.883","0.005","90","","93.67","0.03","90","","1294.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O2 Si -","- C13 H18 O2 Si -","- C52 H72 O8 Si4 -","4","1","","Fischer, Markus; Burschka, Christian; Tacke, Reinhold","Synthesis of 4-Silacyclohexan-1-ones and (4-Silacyclohexan-1-yl)amines Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,4-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl): Versatile Si- and C-Functional Building Blocks for Synthesis","Organometallics","2014","33","4","1020","","10.1021/om401208y","","","0.71073","MoKα","","0.0472","0.0408","","","0.1113","0.1162","","","","","","1.069","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082384","17.367","0.003","10.079","0.0012","19.795","0.003","90","","113.619","0.016","90","","3174.7","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 O4 Si -","- C15 H22 O4 Si -","- C120 H176 O32 Si8 -","8","1","","Fischer, Markus; Burschka, Christian; Tacke, Reinhold","Synthesis of 4-Silacyclohexan-1-ones and (4-Silacyclohexan-1-yl)amines Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,4-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl): Versatile Si- and C-Functional Building Blocks for Synthesis","Organometallics","2014","33","4","1020","","10.1021/om401208y","","","0.71073","MoKα","","0.0523","0.041","","","0.1087","0.1149","","","","","","1.063","","","","has coordinates,has disorder","178712","2020-10-21","18:00:00",""
"4082385","6.779","0.0007","11.1565","0.0011","23.339","0.002","90","","98.257","0.012","90","","1746.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 O3 Si -","- C19 H22 O3 Si -","- C76 H88 O12 Si4 -","4","2","","Fischer, Markus; Burschka, Christian; Tacke, Reinhold","Synthesis of 4-Silacyclohexan-1-ones and (4-Silacyclohexan-1-yl)amines Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,4-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl): Versatile Si- and C-Functional Building Blocks for Synthesis","Organometallics","2014","33","4","1020","","10.1021/om401208y","","","0.71073","MoKα","","0.0454","0.0408","","","0.1029","0.1071","","","","","","1.042","","","","has coordinates,has disorder","178712","2020-10-21","18:00:00",""
"4082386","9.3403","0.0019","23.911","0.005","8.7619","0.0018","90","","90","","90","","1956.8","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H24 O4 Si -","- C20 H24 O4 Si -","- C80 H96 O16 Si4 -","4","1","","Fischer, Markus; Burschka, Christian; Tacke, Reinhold","Synthesis of 4-Silacyclohexan-1-ones and (4-Silacyclohexan-1-yl)amines Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,4-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl): Versatile Si- and C-Functional Building Blocks for Synthesis","Organometallics","2014","33","4","1020","","10.1021/om401208y","","","0.71073","MoKα","","0.044","0.0364","","","0.0901","0.095","","","","","","1.049","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082387","7.8334","0.0015","9.767","0.0018","12.822","0.003","101.08","0.02","105.59","0.02","102.96","0.02","886.9","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 O5 Si -","- C17 H22 O5 Si -","- C34 H44 O10 Si2 -","2","1","","Fischer, Markus; Burschka, Christian; Tacke, Reinhold","Synthesis of 4-Silacyclohexan-1-ones and (4-Silacyclohexan-1-yl)amines Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,4-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl): Versatile Si- and C-Functional Building Blocks for Synthesis","Organometallics","2014","33","4","1020","","10.1021/om401208y","","","0.71073","MoKα","","0.0592","0.0459","","","0.1176","0.1252","","","","","","1.059","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082388","15.134","0.003","7.9793","0.0016","15.193","0.003","90","","97.58","0.03","90","","1818.7","0.6","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 O3 Si -","- C19 H22 O3 Si -","- C76 H88 O12 Si4 -","4","1","","Fischer, Markus; Burschka, Christian; Tacke, Reinhold","Synthesis of 4-Silacyclohexan-1-ones and (4-Silacyclohexan-1-yl)amines Containing the Silicon Protecting Groups MOP (4-Methoxyphenyl), DMOP (2,4-Dimethoxyphenyl), or TMOP (2,4,6-Trimethoxyphenyl): Versatile Si- and C-Functional Building Blocks for Synthesis","Organometallics","2014","33","4","1020","","10.1021/om401208y","","","0.71073","MoKα","","0.0454","0.038","","","0.1034","0.1067","","","","","","1.086","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082389","14.9769","0.0014","19.9681","0.0019","10.2599","0.001","90","","103.736","0.001","90","","2980.6","0.5","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Cl7 N3 O2 Ru S2 -","- C23 H16 Cl7 N3 O2 Ru S2 -","- C92 H64 Cl28 N12 O8 Ru4 S8 -","4","1","","Komiyama, Yoko; Kuwabara, Junpei; Kanbara, Takaki","Deprotonation-Induced Structural Changes in SNS-Pincer Ruthenium Complexes with Secondary Thioamide Groups","Organometallics","2014","33","4","885","","10.1021/om400969p","","","0.71073","MoKα","","","0.039","","","","0.0951","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082390","14.302","0.003","18.708","0.003","17.822","0.003","90","","93.295","0.003","90","","4760.6","1.5","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H28 Cl6 N6 O4 Ru2 S4 -","- C44 H28 Cl6 N6 O4 Ru2 S4 -","- C176 H112 Cl24 N24 O16 Ru8 S16 -","4","1","","Komiyama, Yoko; Kuwabara, Junpei; Kanbara, Takaki","Deprotonation-Induced Structural Changes in SNS-Pincer Ruthenium Complexes with Secondary Thioamide Groups","Organometallics","2014","33","4","885","","10.1021/om400969p","","","0.71073","MoKα","","","0.0681","","","","0.1389","","","","","","0.957","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082391","15.6888","0.0015","17.0438","0.0016","17.3043","0.0017","90","","90","","90","","4627.1","0.8","90","","90","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C56 H43 N3 O P2 Ru S2 -","- C56 H43 N3 O P2 Ru S2 -","- C224 H172 N12 O4 P8 Ru4 S8 -","4","1","","Komiyama, Yoko; Kuwabara, Junpei; Kanbara, Takaki","Deprotonation-Induced Structural Changes in SNS-Pincer Ruthenium Complexes with Secondary Thioamide Groups","Organometallics","2014","33","4","885","","10.1021/om400969p","","","0.71073","MoKα","","","0.0393","","","","0.0848","","","","","","1.022","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082392","10.7275","0.0019","16.765","0.003","17.39","0.003","88.816","0.002","85.937","0.002","75.95","0.002","3026.3","0.9","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C24.5 H22 Cl5 N3 O2 Ru S2 -","- C24.5 H22 Cl5 N3 O2 Ru S2 -","- C98 H88 Cl20 N12 O8 Ru4 S8 -","4","2","","Komiyama, Yoko; Kuwabara, Junpei; Kanbara, Takaki","Deprotonation-Induced Structural Changes in SNS-Pincer Ruthenium Complexes with Secondary Thioamide Groups","Organometallics","2014","33","4","885","","10.1021/om400969p","","","0.71073","MoKα","","","0.0985","","","","0.2677","","","","","","1.059","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082393","7.0547","0.0005","10.1851","0.0007","15.363","0.001","93.368","0.001","96.985","0.001","99.836","0.001","1076","0.13","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 N3 O2 Ru S2 -","- C23 H17 N3 O2 Ru S2 -","- C46 H34 N6 O4 Ru2 S4 -","2","1","","Komiyama, Yoko; Kuwabara, Junpei; Kanbara, Takaki","Deprotonation-Induced Structural Changes in SNS-Pincer Ruthenium Complexes with Secondary Thioamide Groups","Organometallics","2014","33","4","885","","10.1021/om400969p","","","0.71069","MoKα","","","0.0163","","","","0.0415","","","","","","1.06","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082394","12.6927","0.0009","13.0634","0.0009","18.0094","0.0013","99.217","0.001","99.242","0.001","95.765","0.001","2884.8","0.4","90","","90","","","","","","","","","8","P -1","-P 1","2","","","","- C63 H58 Cl4 N3 O P2 Ru S2 -","- C63 H58 Cl4 N3 O P2 Ru S2 -","- C126 H116 Cl8 N6 O2 P4 Ru2 S4 -","2","1","","Komiyama, Yoko; Kuwabara, Junpei; Kanbara, Takaki","Deprotonation-Induced Structural Changes in SNS-Pincer Ruthenium Complexes with Secondary Thioamide Groups","Organometallics","2014","33","4","885","","10.1021/om400969p","","","0.71073","MoKα","","","0.0366","","","","0.0949","","","","","","1.03","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082395","9.141","0.003","10.484","0.004","15.961","0.006","91.789","0.005","104.749","0.004","96.057","0.004","1468.3","0.9","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C53 H73 Br2 Cl3 N4 O4 Pd -","- C53 H73 Br2 Cl3 N4 O4 Pd -","- C53 H73 Br2 Cl3 N4 O4 Pd -","1","1","","Li, Yinle; Tang, Junkai; Gu, Jun; Wang, Quanrui; Sun, Peipei; Zhang, Dao","Chiral 1,2-Cyclohexane-Bridged Bis-NHC Palladium Catalysts for Asymmetric Suzuki‒Miyaura Coupling: Synthesis, Characterization, and Steric Effects on Enantiocontrol","Organometallics","2014","33","4","876","","10.1021/om400825e","","","0.71073","MoKα","","0.0591","0.0554","","","0.1503","0.1569","","","","","","1.034","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082396","22.615","0.007","15.136","0.005","18.857","0.006","90","","95.865","0.005","90","","6421","4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H72 Cl2 F6 N4 O10 Pd S2 -","- C55 H72 Cl2 F6 N4 O10 Pd S2 -","- C220 H288 Cl8 F24 N16 O40 Pd4 S8 -","4","1","","Li, Yinle; Tang, Junkai; Gu, Jun; Wang, Quanrui; Sun, Peipei; Zhang, Dao","Chiral 1,2-Cyclohexane-Bridged Bis-NHC Palladium Catalysts for Asymmetric Suzuki‒Miyaura Coupling: Synthesis, Characterization, and Steric Effects on Enantiocontrol","Organometallics","2014","33","4","876","","10.1021/om400825e","","","0.71073","MoKα","","0.1381","0.0831","","","0.2409","0.2654","","","","","","1.015","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082397","8.8034","0.0018","10.436","0.002","14.242","0.003","91.6","0.03","98.77","0.03","113.77","0.03","1177.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H27 P S -","- C29 H27 P S -","- C58 H54 P2 S2 -","2","1","","Zhou, Yiqing; Chen, Chao; Yan, Xiaoyu; Xi, Chanjuan","Chemoselective Phosphination of Titanacyclobutene: A Convenient Method for Synthesis of Allylphosphine Derivatives","Organometallics","2014","33","4","844","","10.1021/om500084j","","","0.71073","MoKα","","","0.0547","","","0.1248","0.1273","","","","","","1.136","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082398","32.189","0.005","10.1323","0.0016","16.883","0.003","90","","104.38","0.006","90","","5333.9","1.5","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H70 Cl6 N6 V2 -","- C55 H58 Cl6 N6 V2 -","- C220 H232 Cl24 N24 V8 -","4","0.5","","Tang, Xiao-Yan; Igarashi, Atsushi; Sun, Wen-Hua; Inagaki, Akiko; Liu, Jingyu; Zhang, Wenjuan; Li, Yue-Sheng; Nomura, Kotohiro","Synthesis of (Imido)vanadium(V) Complexes Containing 8-(2,6-Dimethylanilide)-5,6,7-trihydroquinoline Ligands: Highly Active Catalyst Precursors for Ethylene Dimerization","Organometallics","2014","33","4","1053","","10.1021/om401119y","","","0.71075","MoKα","","0.0771","0.057","","","0.1442","0.166","","","","","","1.071","","","","has coordinates,has disorder","178712","2020-10-21","18:00:00",""
"4082399","9.303","0.006","15.039","0.011","17.14","0.012","90","","90.433","0.008","90","","2398","3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H54 Cl6 N6 V2 -","- C49 H42 Cl6 N6 V2 -","- C98 H84 Cl12 N12 V4 -","2","0.5","","Tang, Xiao-Yan; Igarashi, Atsushi; Sun, Wen-Hua; Inagaki, Akiko; Liu, Jingyu; Zhang, Wenjuan; Li, Yue-Sheng; Nomura, Kotohiro","Synthesis of (Imido)vanadium(V) Complexes Containing 8-(2,6-Dimethylanilide)-5,6,7-trihydroquinoline Ligands: Highly Active Catalyst Precursors for Ethylene Dimerization","Organometallics","2014","33","4","1053","","10.1021/om401119y","","","0.71075","MoKα","","0.0781","0.0617","","","0.136","0.1463","","","","","","1.054","","","","has coordinates,has disorder","178712","2020-10-21","18:00:00",""
"4082400","19.131","0.014","13.533","0.01","9.12","0.007","90","","96.377","0.01","90","","2347","3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl2 N3 V -","- C25 H23 Cl2 N3 V -","- C100 H92 Cl8 N12 V4 -","4","1","","Tang, Xiao-Yan; Igarashi, Atsushi; Sun, Wen-Hua; Inagaki, Akiko; Liu, Jingyu; Zhang, Wenjuan; Li, Yue-Sheng; Nomura, Kotohiro","Synthesis of (Imido)vanadium(V) Complexes Containing 8-(2,6-Dimethylanilide)-5,6,7-trihydroquinoline Ligands: Highly Active Catalyst Precursors for Ethylene Dimerization","Organometallics","2014","33","4","1053","","10.1021/om401119y","","","0.71075","MoKα","","0.0779","0.0524","","","0.1227","0.1415","","","","","","1.084","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082401","13.70323","0.00018","19.909","0.0003","15.2216","0.0002","90","","107.825","0.0015","90","","3953.38","0.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cp*Ti{PhC(NiPr)2}{OC(Ph)(H)N(C(C6F5)NOtBu)}","","- C41 H49 F5 N4 O2 Ti -","- C41 H49 F5 N4 O2 Ti -","- C164 H196 F20 N16 O8 Ti4 -","4","1","","Groom, Laura R.; Russell, Adam F.; Schwarz, Andrew D.; Mountford, Philip","Reactions of a Cyclopentadienyl‒Amidinate Titanium Benzimidamido Complex","Organometallics","2014","33","4","1002","","10.1021/om4011752","","","1.54184","CuKα","","0.0621","0.051","","0.0625","0.0564","0.0551","","","","","","1.0684","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082402","35.154","0.0004","7.9437","0.0009","14.4166","0.0007","90","","92.337","0.003","90","","4022.5","0.5","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Me2NPhC(NC(C6F5)NOtBu)H","","- C20 H20 F5 N3 O -","- C20 H20 F5 N3 O -","- C160 H160 F40 N24 O8 -","8","1","","Groom, Laura R.; Russell, Adam F.; Schwarz, Andrew D.; Mountford, Philip","Reactions of a Cyclopentadienyl‒Amidinate Titanium Benzimidamido Complex","Organometallics","2014","33","4","1002","","10.1021/om4011752","","","0.71073","MoKα","","0.1511","0.0614","","0.0952","0.0425","0.0425","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082403","8.3723","0.0002","8.6069","0.0002","12.1306","0.0002","98.3332","0.0011","110.068","0.0012","102.258","0.0009","779.42","0.03","150","","150","","","","","","","","","5","P -1","-P 1","2","","Me2NC(NC(C6F5)NOtBu)H","","- C14 H16 F5 N3 O -","- C14 H16 F5 N3 O -","- C28 H32 F10 N6 O2 -","2","1","","Groom, Laura R.; Russell, Adam F.; Schwarz, Andrew D.; Mountford, Philip","Reactions of a Cyclopentadienyl‒Amidinate Titanium Benzimidamido Complex","Organometallics","2014","33","4","1002","","10.1021/om4011752","","","0.71073","MoKα","","0.049","0.0378","","0.0454","0.0381","0.0367","","","","","","1.1145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082404","19.0947","0.0001","33.5176","0.0002","12.3937","0.0001","90","","90","","90","","7932.07","0.09","150","","150","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","C5Me5Ti{PhC(NiPr)2}{NC(ArF)N(OtBu)}(CNtBu)","","- C39 H52 F5 N5 O Ti -","- C39 H52 F5 N5 O Ti -","- C312 H416 F40 N40 O8 Ti8 -","8","1","","Groom, Laura R.; Russell, Adam F.; Schwarz, Andrew D.; Mountford, Philip","Reactions of a Cyclopentadienyl‒Amidinate Titanium Benzimidamido Complex","Organometallics","2014","33","4","1002","","10.1021/om4011752","","","0.71073","MoKα","","0.0809","0.0479","","0.0687","0.044","0.0404","","","","","","1.1365","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082405","14.0552","0.0002","15.1126","0.0002","21.0286","0.0004","90","","95.6103","0.0006","90","","4445.3","0.12","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cp*Ti{PhC(NiPr)2}{NC(NOtBu)C6F4N(C6H3Me2)C}(F)","","- C43 H52 F5 N5 O Ti -","- C43 H52 F5 N5 O Ti -","- C172 H208 F20 N20 O4 Ti4 -","4","1","","Groom, Laura R.; Russell, Adam F.; Schwarz, Andrew D.; Mountford, Philip","Reactions of a Cyclopentadienyl‒Amidinate Titanium Benzimidamido Complex","Organometallics","2014","33","4","1002","","10.1021/om4011752","","","0.71073","MoKα","","0.0816","0.0623","","0.0728","0.0629","0.0606","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082406","9.9163","0.0004","24.4935","0.0011","12.3964","0.0006","90","","103.723","0.002","90","","2924.9","0.2","100","2","100","2","","","","","","","","10","P 1 21 1","P 2yb","4","","compound 9a","","- C62.5 H56 Cl3 F6 Fe N O P Pd Sb -","- C62.5 H56 Cl3 F6 Fe N O P Pd Sb -","- C125 H112 Cl6 F12 Fe2 N2 O2 P2 Pd2 Sb2 -","2","1","","Ayerbe Garcia, Marta; Frey, Wolfgang; Peters, René","Sterically Demanding Planar Chiral P,N Ligands by Diastereoselective Ortho Lithiation of Pentaphenylferrocenyloxazolines and Their Application to Palladium-Catalyzed Substitutions with Cyclic Allylic Acetates","Organometallics","2014","33","4","1068","","10.1021/om500049f","","","0.71073","MoKα","","0.0609","0.0462","","","0.1098","0.1153","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082407","10.0029","0.0007","12.2952","0.0009","13.7628","0.001","64.84","0.003","69.496","0.003","74.981","0.003","1422.82","0.18","100","2","100","2","","","","","","","","9","P 1","P 1","1","","compound 9b","","- C66 H65 F6 Fe N O2 P Pd Sb -","- C66 H65 F6 Fe N O2 P Pd Sb -","- C66 H65 F6 Fe N O2 P Pd Sb -","1","1","","Ayerbe Garcia, Marta; Frey, Wolfgang; Peters, René","Sterically Demanding Planar Chiral P,N Ligands by Diastereoselective Ortho Lithiation of Pentaphenylferrocenyloxazolines and Their Application to Palladium-Catalyzed Substitutions with Cyclic Allylic Acetates","Organometallics","2014","33","4","1068","","10.1021/om500049f","","","1.54178","CuKα","","0.0212","0.0203","","","0.0469","0.0471","","","","","","1.031","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082408","10.5086","0.0008","12.1296","0.001","12.3843","0.001","96.876","0.004","105.251","0.004","99.734","0.004","1478.5","0.2","110","2","110","2","","","","","","","","9","P 1","P 1","1","","compound 13","","- C68 H67 F6 Fe N O2 P Pd Sb -","- C68 H67 F6 Fe N O2 P Pd Sb -","- C68 H67 F6 Fe N O2 P Pd Sb -","1","1","","Ayerbe Garcia, Marta; Frey, Wolfgang; Peters, René","Sterically Demanding Planar Chiral P,N Ligands by Diastereoselective Ortho Lithiation of Pentaphenylferrocenyloxazolines and Their Application to Palladium-Catalyzed Substitutions with Cyclic Allylic Acetates","Organometallics","2014","33","4","1068","","10.1021/om500049f","","","0.71073","MoKα","","0.0231","0.0206","","","0.0427","0.0433","","","","","","1.029","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082409","15.002","0.002","32.905","0.004","15.089","0.002","90","","110.553","0.004","90","","6974.4","1.6","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23.4 H40 N2 O2.6 Pd -","- C23.4 H40 N2 O2.6 Pd -","- C234 H400 N20 O26 Pd10 -","10","5","","See Leng Yap, Jeanette; Chen, Houguang Jeremy; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Synthesis, Optical Resolution, and Stereochemical Properties of a Rationally Designed Chiral C‒N Palladacycle","Organometallics","2014","33","4","930","","10.1021/om401044z","","","0.71073","MoKα","","0.0946","0.0574","","","0.1399","0.1798","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082410","18.965","0.004","7.5657","0.0015","12.841","0.003","90","","110.62","0.03","90","","1724.4","0.7","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","CpRu(Tpmd)AuCl","","- C15 H14 Au Cl N6 Ru -","- C15 H14 Au Cl N6 Ru -","- C60 H56 Au4 Cl4 N24 Ru4 -","4","1","","González-Gallardo, Sandra; Kuzu, Istemi; Oña-Burgos, Pascual; Wolfer, Tanja; Wang, Cong; Klinkhammer, Karl W.; Klopper, Wim; Bräse, Stefan; Breher, Frank","Coinage Metal Complexes of Tris(pyrazolyl)methanide-Based Redox-Active Metalloligands","Organometallics","2014","33","4","941","","10.1021/om4010498","","","0.71073","MoKα","","0.0235","0.0185","","","0.0378","0.0388","","","","","","0.935","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082411","12.071","0.002","8.8939","0.0018","17.045","0.003","90","","105.24","0.03","90","","1765.6","0.6","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CpRu(Tpmd)CuAc","","- C17 H17 Cu N6 O2 Ru -","- C17 H17 Cu N6 O2 Ru -","- C68 H68 Cu4 N24 O8 Ru4 -","4","1","","González-Gallardo, Sandra; Kuzu, Istemi; Oña-Burgos, Pascual; Wolfer, Tanja; Wang, Cong; Klinkhammer, Karl W.; Klopper, Wim; Bräse, Stefan; Breher, Frank","Coinage Metal Complexes of Tris(pyrazolyl)methanide-Based Redox-Active Metalloligands","Organometallics","2014","33","4","941","","10.1021/om4010498","","","0.71073","MoKα","","0.0443","0.0388","","","0.0982","0.1028","","","","","","1.05","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082412","15.277","0.003","15.479","0.003","31.007","0.006","90","","92.37","0.03","90","","7326","2","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","CpRu(Tpmd)CuHyp","","- C51.5 H86 Cu2 N12 Ru2 Si8 -","- C51.5 H86 Cu2 N12 Ru2 Si8 -","- C206 H344 Cu8 N48 Ru8 Si32 -","4","1","","González-Gallardo, Sandra; Kuzu, Istemi; Oña-Burgos, Pascual; Wolfer, Tanja; Wang, Cong; Klinkhammer, Karl W.; Klopper, Wim; Bräse, Stefan; Breher, Frank","Coinage Metal Complexes of Tris(pyrazolyl)methanide-Based Redox-Active Metalloligands","Organometallics","2014","33","4","941","","10.1021/om4010498","","","0.71073","MoKα","","0.094","0.0687","","","0.1934","0.2175","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082413","10.224","0.002","11.247","0.002","13.903","0.003","90.59","0.03","94.4","0.03","96.19","0.03","1584.4","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","CpRu(Tpmd)AgDTC","","- C28 H40 Ag N7 O2 Ru S2 -","- C28 H40 Ag N7 O2 Ru S2 -","- C56 H80 Ag2 N14 O4 Ru2 S4 -","2","1","","González-Gallardo, Sandra; Kuzu, Istemi; Oña-Burgos, Pascual; Wolfer, Tanja; Wang, Cong; Klinkhammer, Karl W.; Klopper, Wim; Bräse, Stefan; Breher, Frank","Coinage Metal Complexes of Tris(pyrazolyl)methanide-Based Redox-Active Metalloligands","Organometallics","2014","33","4","941","","10.1021/om4010498","","","0.71073","MoKα","","0.0853","0.0657","","","0.1543","0.1677","","","","","","1.072","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082414","12.97","0.003","25.031","0.005","23.11","0.005","90","","90","","90","","7503","3","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","CpRu(Tpmd)AuCCPhF","","- C35.5 H29 Au F6 N6 Ru -","- C35.5 H29 Au F6 N6 Ru -","- C284 H232 Au8 F48 N48 Ru8 -","8","1","","González-Gallardo, Sandra; Kuzu, Istemi; Oña-Burgos, Pascual; Wolfer, Tanja; Wang, Cong; Klinkhammer, Karl W.; Klopper, Wim; Bräse, Stefan; Breher, Frank","Coinage Metal Complexes of Tris(pyrazolyl)methanide-Based Redox-Active Metalloligands","Organometallics","2014","33","4","941","","10.1021/om4010498","","","0.71073","MoKα","","0.049","0.0394","","","0.1122","0.117","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082415","8.9144","0.0018","12.931","0.003","12.335","0.003","90","","92.59","0.03","90","","1420.4","0.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","CpRu(Tpmd)","","- C15 H14 N6 Ru -","- C15 H14 N6 Ru -","- C60 H56 N24 Ru4 -","4","1","","González-Gallardo, Sandra; Kuzu, Istemi; Oña-Burgos, Pascual; Wolfer, Tanja; Wang, Cong; Klinkhammer, Karl W.; Klopper, Wim; Bräse, Stefan; Breher, Frank","Coinage Metal Complexes of Tris(pyrazolyl)methanide-Based Redox-Active Metalloligands","Organometallics","2014","33","4","941","","10.1021/om4010498","","","0.71073","MoKα","","0.022","0.02","","","0.0488","0.0498","","","","","","1.1","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082416","12.7098","0.0015","9.2543","0.0011","23.859","0.003","90","","102.678","0.002","90","","2737.9","0.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Fe O2 P2 S2 -","- C30 H26 Fe O2 P2 S2 -","- C120 H104 Fe4 O8 P8 S8 -","4","1","","Carroll, Maria E.; Chen, Jinzhu; Gray, Danielle E.; Lansing, James C.; Rauchfuss, Thomas B.; Schilter, David; Volkers, Phillip I.; Wilson, Scott R.","Ferrous Carbonyl Dithiolates as Precursors to FeFe, FeCo, and FeMn Carbonyl Dithiolates.","Organometallics","2014","33","4","858","867","10.1021/om400752a","","","0.71073","MoKα","","0.0973","0.0426","","","0.0735","0.0838","","","","","","0.897","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082417","8.7549","0.0002","14.9255","0.0004","11.033","0.0002","90","","92.057","0.001","90","","1440.77","0.06","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H28 Fe O2 P2 S2 -","- C31 H28 Fe O2 P2 S2 -","- C62 H56 Fe2 O4 P4 S4 -","2","1","","Carroll, Maria E.; Chen, Jinzhu; Gray, Danielle E.; Lansing, James C.; Rauchfuss, Thomas B.; Schilter, David; Volkers, Phillip I.; Wilson, Scott R.","Ferrous Carbonyl Dithiolates as Precursors to FeFe, FeCo, and FeMn Carbonyl Dithiolates.","Organometallics","2014","33","4","858","867","10.1021/om400752a","","","0.71073","MoKα","","0.0343","0.029","","","0.0642","0.0665","","","","","","0.997","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082418","20.2423","0.0012","16.2452","0.001","21.0095","0.0014","90","","90","","90","","6908.8","0.7","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C34 H33 Cl2 Fe Mn O4 P2 S2 -","- C34 H33 Cl2 Fe Mn O4 P2 S2 -","- C272 H264 Cl16 Fe8 Mn8 O32 P16 S16 -","8","1","","Carroll, Maria E.; Chen, Jinzhu; Gray, Danielle E.; Lansing, James C.; Rauchfuss, Thomas B.; Schilter, David; Volkers, Phillip I.; Wilson, Scott R.","Ferrous Carbonyl Dithiolates as Precursors to FeFe, FeCo, and FeMn Carbonyl Dithiolates.","Organometallics","2014","33","4","858","867","10.1021/om400752a","","","0.71073","MoKα","","0.0408","0.0283","","","0.068","0.0762","","","","","","1.064","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4082419","16.0226","0.001","21.7926","0.0011","8.8475","0.0006","90","","90","","90","","3089.3","0.3","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H31 Co Fe O P2 S2 -","- C34 H31 Co Fe O P2 S2 -","- C136 H124 Co4 Fe4 O4 P8 S8 -","4","0.5","","Carroll, Maria E.; Chen, Jinzhu; Gray, Danielle E.; Lansing, James C.; Rauchfuss, Thomas B.; Schilter, David; Volkers, Phillip I.; Wilson, Scott R.","Ferrous Carbonyl Dithiolates as Precursors to FeFe, FeCo, and FeMn Carbonyl Dithiolates.","Organometallics","2014","33","4","858","867","10.1021/om400752a","","","0.71073","MoKα","","0.0471","0.0352","","","0.0862","0.0904","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082420","9.8025","0.0016","10.5064","0.0017","12.417","0.002","81.318","0.003","68.052","0.002","78.993","0.003","1159.9","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 Co O4 -","- C29 H21 Co O4 -","- C58 H42 Co2 O8 -","2","1","","Singh, Jatinder; Kumar, Dheeraj; Singh, Nem; Elias, Anil J.","New Chiral Palladacycles from an Unprecedented Cyclopalladation of Cyclobutadiene-Bound Phenyl Groups of Cobalt Sandwich Compounds","Organometallics","2014","33","4","1044","","10.1021/om500004n","","","0.71073","MoKα","","0.0399","0.0375","","","0.1112","0.1132","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082421","9.7292","0.0017","14.665","0.003","13.281","0.002","90","","102.566","0.003","90","","1849.5","0.6","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H43 Cl2 Co N2 O4 Pd -","- C42 H43 Cl2 Co N2 O4 Pd -","- C84 H86 Cl4 Co2 N4 O8 Pd2 -","2","1","","Singh, Jatinder; Kumar, Dheeraj; Singh, Nem; Elias, Anil J.","New Chiral Palladacycles from an Unprecedented Cyclopalladation of Cyclobutadiene-Bound Phenyl Groups of Cobalt Sandwich Compounds","Organometallics","2014","33","4","1044","","10.1021/om500004n","","","0.71073","MoKα","","0.0535","0.0465","","","0.0977","0.1004","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082422","13.1937","0.0015","13.586","0.0015","22.268","0.003","90","","90","","90","","3991.5","0.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H46 Co I N2 O2 Pd -","- C46 H46 Co I N2 O2 Pd -","- C184 H184 Co4 I4 N8 O8 Pd4 -","4","1","","Singh, Jatinder; Kumar, Dheeraj; Singh, Nem; Elias, Anil J.","New Chiral Palladacycles from an Unprecedented Cyclopalladation of Cyclobutadiene-Bound Phenyl Groups of Cobalt Sandwich Compounds","Organometallics","2014","33","4","1044","","10.1021/om500004n","","","0.71073","MoKα","","0.0207","0.0201","","","0.0483","0.0486","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082423","8.033","0.002","29.032","0.008","21.73","0.006","90","","92.532","0.006","90","","5063","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Co O3 -","- C30 H23 Co O3 -","- C240 H184 Co8 O24 -","8","2","","Singh, Jatinder; Kumar, Dheeraj; Singh, Nem; Elias, Anil J.","New Chiral Palladacycles from an Unprecedented Cyclopalladation of Cyclobutadiene-Bound Phenyl Groups of Cobalt Sandwich Compounds","Organometallics","2014","33","4","1044","","10.1021/om500004n","","","0.71073","MoKα","","0.1145","0.0682","","","0.1549","0.1712","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082424","15.803","0.004","28.301","0.007","9.025","0.002","90","","90","","90","","4036.3","1.7","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C76 H74 Co2 N2 O10 Pd3 -","- C76 H74 Co2 N2 O10 Pd3 -","- C152 H148 Co4 N4 O20 Pd6 -","2","0.5","","Singh, Jatinder; Kumar, Dheeraj; Singh, Nem; Elias, Anil J.","New Chiral Palladacycles from an Unprecedented Cyclopalladation of Cyclobutadiene-Bound Phenyl Groups of Cobalt Sandwich Compounds","Organometallics","2014","33","4","1044","","10.1021/om500004n","","","0.71073","MoKα","","0.0804","0.0659","","","0.1936","0.2021","","","","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082425","22.345","0.003","10.639","0.001","15.962","0.002","90","","98.367","0.003","90","","3754.2","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Moris-265 (Tatiana)","","","- C21 H16 F5 N3 -","- C21 H16 F5 N3 -","- C168 H128 F40 N24 -","8","1","","Elkin, Tatyana; Botoshansky, Mark; Waymouth, Robert M.; Eisen, Moris S.","Titanium Bis(amidinates) Bearing Electron Donating Pendant Arms as Catalysts for Stereospecific Polymerization of Propylene","Organometallics","2014","33","4","840","","10.1021/om401165g","","","0.71073","MoKα","","0.0559","0.045","","","0.1471","0.1564","","","","","","1.051","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082426","10.4405","0.0009","15.9721","0.0014","8.7667","0.0008","90","","94.598","0.002","90","","1457.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Moris-318 (Tatiana)","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Elkin, Tatyana; Botoshansky, Mark; Waymouth, Robert M.; Eisen, Moris S.","Titanium Bis(amidinates) Bearing Electron Donating Pendant Arms as Catalysts for Stereospecific Polymerization of Propylene","Organometallics","2014","33","4","840","","10.1021/om401165g","","","0.71073","MoKα","","0.0658","0.0503","","","0.1321","0.1417","","","","","","0.905","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082427","10.4164","0.0004","39.3572","0.0018","19.0312","0.0008","90","","96.999","0.001","90","","7743.9","0.6","250","2","250","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Moris-352( Tatiana)","","","- C38 H51 N8 Ti -","- C38 H51 N8 Ti -","- C304 H408 N64 Ti8 -","8","1","","Elkin, Tatyana; Botoshansky, Mark; Waymouth, Robert M.; Eisen, Moris S.","Titanium Bis(amidinates) Bearing Electron Donating Pendant Arms as Catalysts for Stereospecific Polymerization of Propylene","Organometallics","2014","33","4","840","","10.1021/om401165g","","","0.71073","MoKα","","0.0919","0.0719","","","0.2029","0.2184","","","","","","1.027","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082428","23.514","0.005","9.783","0.002","25.25","0.005","90","","110.947","0.004","90","","5424.6","1.9","240","1","240","1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","Moris-268 (Tatiana)","","","- C55 H54 F10 N8 O0.5 Ti -","- C55 H54 F10 N8 O0.5 Ti -","- C220 H216 F40 N32 O2 Ti4 -","4","1","","Elkin, Tatyana; Botoshansky, Mark; Waymouth, Robert M.; Eisen, Moris S.","Titanium Bis(amidinates) Bearing Electron Donating Pendant Arms as Catalysts for Stereospecific Polymerization of Propylene","Organometallics","2014","33","4","840","","10.1021/om401165g","","","0.71073","MoKα","","0.1874","0.0949","","","0.2604","0.3187","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082429","19.525","0.004","10.504","0.002","17.787","0.003","90","","90","","90","","3647.9","1.2","250","2","250","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Moris-359 (Tatiana)","","","- C40 H42 N6 O2 Ti -","- C40 H42 N6 O2 Ti -","- C160 H168 N24 O8 Ti4 -","4","1","","Elkin, Tatyana; Botoshansky, Mark; Waymouth, Robert M.; Eisen, Moris S.","Titanium Bis(amidinates) Bearing Electron Donating Pendant Arms as Catalysts for Stereospecific Polymerization of Propylene","Organometallics","2014","33","4","840","","10.1021/om401165g","","","0.71073","MoKα","","0.0925","0.0475","","","0.1191","0.1377","","","","","","0.873","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082430","9.7693","0.0009","16.097","0.0014","17.6044","0.0013","90","","97.159","0.004","90","","2746.8","0.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H11 O11 Os3 Sb -","- C23 H11 O11 Os3 Sb -","- C92 H44 O44 Os12 Sb4 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Oxidative Addition across Sb‒H and Sb‒Sb Bonds by an Osmium Carbonyl Cluster: Trapping the Intermediate","Organometallics","2014","33","3","823","","10.1021/om401206d","","","0.71073","MoKα","","0.0371","0.0315","","","0.0817","0.0931","","","","","","1.216","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082431","9.6091","0.0008","13.415","0.0012","19.283","0.0017","101.276","0.005","103.486","0.005","101.811","0.005","2287.4","0.4","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H13 Cl2 O22 Os6 Sb -","- C35 H13 Cl2 O22 Os6 Sb -","- C70 H26 Cl4 O44 Os12 Sb2 -","2","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Oxidative Addition across Sb‒H and Sb‒Sb Bonds by an Osmium Carbonyl Cluster: Trapping the Intermediate","Organometallics","2014","33","3","823","","10.1021/om401206d","","","0.71073","MoKα","","0.0717","0.0509","","","0.1405","0.1605","","","","","","1.058","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082432","17.5936","0.0008","11.7","0.0005","27.9621","0.001","90","","91.33","0.001","90","","5754.3","0.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49.2 H26.4 O22.8 Os6 Sb2 -","- C49.2 H26.4 O22.8 Os6 Sb2 -","- C196.8 H105.6 O91.2 Os24 Sb8 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Oxidative Addition across Sb‒H and Sb‒Sb Bonds by an Osmium Carbonyl Cluster: Trapping the Intermediate","Organometallics","2014","33","3","823","","10.1021/om401206d","","","0.71073","MoKα","","0.0712","0.0485","","","0.0876","0.0961","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082433","11.2374","0.0003","11.8935","0.0003","12.6269","0.0003","82.505","0.001","85.629","0.001","82.025","0.001","1654.1","0.07","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H11 O16 Os3 Sb W -","- C28 H11 O16 Os3 Sb W -","- C56 H22 O32 Os6 Sb2 W2 -","2","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Oxidative Addition across Sb‒H and Sb‒Sb Bonds by an Osmium Carbonyl Cluster: Trapping the Intermediate","Organometallics","2014","33","3","823","","10.1021/om401206d","","","0.71073","MoKα","","0.0233","0.0198","","","0.0446","0.0457","","","","","","1.093","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082434","11.5971","0.0008","21.0096","0.0014","18.9973","0.0013","90","","107.556","0.0015","90","","4413.1","0.5","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H20 O16 Os3 Sb2 W -","- C40 H20 O16 Os3 Sb2 W -","- C160 H80 O64 Os12 Sb8 W4 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Oxidative Addition across Sb‒H and Sb‒Sb Bonds by an Osmium Carbonyl Cluster: Trapping the Intermediate","Organometallics","2014","33","3","823","","10.1021/om401206d","","","0.71073","MoKα","","0.0468","0.0347","","","0.0794","0.09","","","","","","1.244","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082435","17.3438","0.0017","5.6276","0.0005","19.2987","0.0017","90","","102.982","0.004","90","","1835.5","0.3","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 O2 S -","- C22 H20 O2 S -","- C88 H80 O8 S4 -","4","2","","Bravo, Maritza J.; Favier, Isabelle; Saffon, Nathalie; Ceder, Rosa M.; Muller, Guillermo; Gómez, Montserrat; Rocamora, Mercè","Efficient Palladium Catalysts Containing Original Imidazolium-Tagged Chiral Diamidophosphite Ligands for Asymmetric Allylic Substitutions in Neat Ionic Liquid","Organometallics","2014","33","3","771","","10.1021/om4011577","","","0.71073","MoKα","","0.0624","0.0438","","","0.0976","0.1066","","","","","","1.04","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082436","17.3629","0.0009","5.6268","0.0002","19.2921","0.0008","90","","103.049","0.003","90","","1836.12","0.14","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 O2 S -","- C22 H20 O2 S -","- C88 H80 O8 S4 -","4","2","","Bravo, Maritza J.; Favier, Isabelle; Saffon, Nathalie; Ceder, Rosa M.; Muller, Guillermo; Gómez, Montserrat; Rocamora, Mercè","Efficient Palladium Catalysts Containing Original Imidazolium-Tagged Chiral Diamidophosphite Ligands for Asymmetric Allylic Substitutions in Neat Ionic Liquid","Organometallics","2014","33","3","771","","10.1021/om4011577","","","0.71073","MoKα","","0.0864","0.0558","","","0.0999","0.1103","","","","","","1.046","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082437","9.1754","0.0006","10.688","0.0008","37.842","0.003","90","","90","","90","","3711","0.5","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 B Cl3 F4 N4 O P Pd -","- C33 H37 B Cl3 F4 N4 O P Pd -","- C132 H148 B4 Cl12 F16 N16 O4 P4 Pd4 -","4","1","","Bravo, Maritza J.; Favier, Isabelle; Saffon, Nathalie; Ceder, Rosa M.; Muller, Guillermo; Gómez, Montserrat; Rocamora, Mercè","Efficient Palladium Catalysts Containing Original Imidazolium-Tagged Chiral Diamidophosphite Ligands for Asymmetric Allylic Substitutions in Neat Ionic Liquid","Organometallics","2014","33","3","771","","10.1021/om4011577","","","0.71073","MoKα","","0.0322","0.0298","","","0.0695","0.0707","","","","","","1.038","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082438","12.2743","0.0006","12.2181","0.0007","23.9386","0.0011","90","","99.936","0.002","90","","3536.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H35 N3 P2 Pd -","- C42 H35 N3 P2 Pd -","- C168 H140 N12 P8 Pd4 -","4","1","","Miloserdov, Fedor M.; McMullin, Claire L.; Belmonte, Marta Mart\?ínez; Benet-Buchholz, Jordi; Bakhmutov, Vladimir I.; Macgregor, Stuart A.; Grushin, Vladimir V.","The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process","Organometallics","2014","33","3","736","","10.1021/om401126m","","","0.71073","MoKα","","0.0521","0.0391","","","0.0932","0.1005","","","","","","1.025","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082439","19.0946","0.0006","11.084","0.0003","31.8307","0.0012","90","","90","","90","","6736.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H35 N3 P2 Pd -","- C42 H35 N3 P2 Pd -","- C336 H280 N24 P16 Pd8 -","8","1","","Miloserdov, Fedor M.; McMullin, Claire L.; Belmonte, Marta Mart\?ínez; Benet-Buchholz, Jordi; Bakhmutov, Vladimir I.; Macgregor, Stuart A.; Grushin, Vladimir V.","The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process","Organometallics","2014","33","3","736","","10.1021/om401126m","","","0.71073","MoKα","","0.0487","0.0354","","","0.0845","0.0924","","","","","","1.058","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082440","12.8222","0.001","22.1988","0.0015","13.337","0.0009","90","","100.633","0.003","90","","3731","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H35 Cl2 I2 O P2 Pd -","- C40 H35 Cl2 I2 O P2 Pd -","- C160 H140 Cl8 I8 O4 P8 Pd4 -","4","1","","Miloserdov, Fedor M.; McMullin, Claire L.; Belmonte, Marta Mart\?ínez; Benet-Buchholz, Jordi; Bakhmutov, Vladimir I.; Macgregor, Stuart A.; Grushin, Vladimir V.","The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process","Organometallics","2014","33","3","736","","10.1021/om401126m","","","0.71073","MoKα","","0.0477","0.0388","","","0.0976","0.1062","","","","","","1.059","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082441","16.678","0.011","19.729","0.018","21.472","0.012","90","","90","","90","","7065","9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H32 I2 O P2 Pd -","- C39 H32 I2 O P2 Pd -","- C312 H256 I16 O8 P16 Pd8 -","8","1","","Miloserdov, Fedor M.; McMullin, Claire L.; Belmonte, Marta Mart\?ínez; Benet-Buchholz, Jordi; Bakhmutov, Vladimir I.; Macgregor, Stuart A.; Grushin, Vladimir V.","The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process","Organometallics","2014","33","3","736","","10.1021/om401126m","","","0.71073","MoKα","","0.128","0.0602","","","0.1135","0.1346","","","","","","1.056","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082442","15.9178","0.0004","20.2527","0.0005","23.6017","0.0005","90","","90","","90","","7608.7","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H33 Cl3 N6 O P2 Pd -","- C40 H33 Cl3 N6 O P2 Pd -","- C320 H264 Cl24 N48 O8 P16 Pd8 -","8","1","","Miloserdov, Fedor M.; McMullin, Claire L.; Belmonte, Marta Mart\?ínez; Benet-Buchholz, Jordi; Bakhmutov, Vladimir I.; Macgregor, Stuart A.; Grushin, Vladimir V.","The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process","Organometallics","2014","33","3","736","","10.1021/om401126m","","","0.71073","MoKα","","0.0584","0.0402","","","0.0942","0.1055","","","","","","1.026","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082443","11.1638","0.0009","13.1804","0.0011","19.4932","0.0018","85.808","0.003","89.944","0.003","77.076","0.003","2787.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H70 O5 P2 Pd -","- C68 H70 O5 P2 Pd -","- C136 H140 O10 P4 Pd2 -","2","1","","Miloserdov, Fedor M.; McMullin, Claire L.; Belmonte, Marta Mart\?ínez; Benet-Buchholz, Jordi; Bakhmutov, Vladimir I.; Macgregor, Stuart A.; Grushin, Vladimir V.","The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process","Organometallics","2014","33","3","736","","10.1021/om401126m","","","0.71073","MoKα","","0.0761","0.048","","","0.0952","0.1063","","","","","","1.065","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082444","9.7723","0.0013","19.15","0.002","19.972","0.003","90","","100.035","0.004","90","","3680.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 O3 P2 Pd -","- C44 H39 O3 P2 Pd -","- C176 H156 O12 P8 Pd4 -","4","1","","Miloserdov, Fedor M.; McMullin, Claire L.; Belmonte, Marta Mart\?ínez; Benet-Buchholz, Jordi; Bakhmutov, Vladimir I.; Macgregor, Stuart A.; Grushin, Vladimir V.","The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process","Organometallics","2014","33","3","736","","10.1021/om401126m","","","0.71073","MoKα","","0.0994","0.0571","","","0.1169","0.1329","","","","","","1.05","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082445","9.2834","0.0006","14.9787","0.001","16.5872","0.0011","90","","91.748","0.002","90","","2305.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 N4 -","- C22 H42 N4 -","- C88 H168 N16 -","4","1","","Miloserdov, Fedor M.; McMullin, Claire L.; Belmonte, Marta Mart\?ínez; Benet-Buchholz, Jordi; Bakhmutov, Vladimir I.; Macgregor, Stuart A.; Grushin, Vladimir V.","The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process","Organometallics","2014","33","3","736","","10.1021/om401126m","","","0.71073","MoKα","","0.059","0.0465","","","0.1177","0.1267","","","","","","1.035","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082446","39.019","0.003","11.2498","0.0007","18.4868","0.0012","90","","112.743","0.001","90","","7483.9","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H51 Mg N2 O1.5 P -","- C44 H51 Mg N2 O1.5 P -","- C352 H408 Mg8 N16 O12 P8 -","8","1","","Xie, Hongyan; Mou, Zehuai; Liu, Bo; Li, Ping; Rong, Weifeng; Li, Shihui; Cui, Dongmei","Phosphinimino-amino Magnesium Complexes: Synthesis and Catalysis of Heteroselective ROP ofrac-Lactide","Organometallics","2014","33","3","722","","10.1021/om401056s","","","0.71073","MoKα","","0.1022","0.0664","","","0.1501","0.1712","","","","","","1.029","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4082447","16.5227","0.0011","19.163","0.0013","24.0933","0.0017","90","","90","","90","","7628.5","0.9","187","2","187","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H51 Mg N2 O P -","- C44 H51 Mg N2 O P -","- C352 H408 Mg8 N16 O8 P8 -","8","1","","Xie, Hongyan; Mou, Zehuai; Liu, Bo; Li, Ping; Rong, Weifeng; Li, Shihui; Cui, Dongmei","Phosphinimino-amino Magnesium Complexes: Synthesis and Catalysis of Heteroselective ROP ofrac-Lactide","Organometallics","2014","33","3","722","","10.1021/om401056s","","","0.71073","MoKα","","0.1597","0.1131","","","0.2941","0.3385","","","","","","1.036","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082448","18.0013","0.0014","19.5713","0.0016","23.3879","0.0019","90","","90","","90","","8239.8","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H55 Mg N2 O P -","- C46 H55 Mg N2 O P -","- C368 H440 Mg8 N16 O8 P8 -","8","1","","Xie, Hongyan; Mou, Zehuai; Liu, Bo; Li, Ping; Rong, Weifeng; Li, Shihui; Cui, Dongmei","Phosphinimino-amino Magnesium Complexes: Synthesis and Catalysis of Heteroselective ROP ofrac-Lactide","Organometallics","2014","33","3","722","","10.1021/om401056s","","","0.71073","MoKα","","0.1454","0.0697","","","0.1494","0.1839","","","","","","1.004","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082449","10.8506","0.001","22.03","0.002","18.7823","0.0018","90","","104","0.002","90","","4356.3","0.7","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 Mg N2 O P -","- C48 H59 Mg N2 O P -","- C192 H236 Mg4 N8 O4 P4 -","4","1","","Xie, Hongyan; Mou, Zehuai; Liu, Bo; Li, Ping; Rong, Weifeng; Li, Shihui; Cui, Dongmei","Phosphinimino-amino Magnesium Complexes: Synthesis and Catalysis of Heteroselective ROP ofrac-Lactide","Organometallics","2014","33","3","722","","10.1021/om401056s","","","0.71073","MoKα","","0.1107","0.0593","","","0.1222","0.1437","","","","","","1.003","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082450","40.804","0.003","10.8158","0.0007","17.1831","0.0012","90","","90","","90","","7583.4","0.9","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C43 H49 Mg N2 O2 P -","- C43 H49 Mg N2 O2 P -","- C344 H392 Mg8 N16 O16 P8 -","8","1","","Xie, Hongyan; Mou, Zehuai; Liu, Bo; Li, Ping; Rong, Weifeng; Li, Shihui; Cui, Dongmei","Phosphinimino-amino Magnesium Complexes: Synthesis and Catalysis of Heteroselective ROP ofrac-Lactide","Organometallics","2014","33","3","722","","10.1021/om401056s","","","0.71073","MoKα","","0.1197","0.0715","","","0.1898","0.2209","","","","","","1.049","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082451","11.404","0.005","14.369","0.006","15.611","0.007","115.212","0.008","97.909","0.013","91.816","0.012","2280.7","1.7","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H59 N4 P Zr -","- C54 H59 N4 P Zr -","- C108 H118 N8 P2 Zr2 -","2","1","","Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","A Novel Trisamidophosphine Ligand and Its Group(IV) Metal Complexes","Organometallics","2014","33","3","612","","10.1021/om401018f","","x-ray","0.71073","MoKα","","0.0664","0.0421","","","0.0921","0.1032","","","","","","1.029","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082452","16.2711","0.0006","12.6818","0.0004","28.9486","0.0008","90","","100.743","0.003","90","","5868.8","0.3","110","1","110","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67 H69 F3 N3 O3 P S Zr -","- C67 H69 F3 N3 O3 P S Zr -","- C268 H276 F12 N12 O12 P4 S4 Zr4 -","4","1","","Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","A Novel Trisamidophosphine Ligand and Its Group(IV) Metal Complexes","Organometallics","2014","33","3","612","","10.1021/om401018f","","x-ray","0.7107","MoKα","","0.1","0.0637","","","0.1131","0.1266","","","","","","1.036","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082453","15.59551","0.00011","18.37056","0.00014","20.06023","0.00015","90","","98.8698","0.0007","90","","5678.49","0.07","110","1","110","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H58 Cl10 N3 P Zr -","- C51 H58 Cl10 N3 P Zr -","- C204 H232 Cl40 N12 P4 Zr4 -","4","1","","Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","A Novel Trisamidophosphine Ligand and Its Group(IV) Metal Complexes","Organometallics","2014","33","3","612","","10.1021/om401018f","","x-ray","0.7107","MoKα","","0.073","0.0613","","","0.1523","0.1601","","","","","","1.031","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082454","10.53327","0.00016","15.8299","0.0002","16.9562","0.0002","69.1157","0.0012","80.036","0.0012","80.887","0.0012","2587.29","0.06","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C62.5 H65 Cl N3 P Zr -","- C59 H61 Cl N3 P Zr -","- C118 H122 Cl2 N6 P2 Zr2 -","2","1","","Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","A Novel Trisamidophosphine Ligand and Its Group(IV) Metal Complexes","Organometallics","2014","33","3","612","","10.1021/om401018f","","x-ray","1.5418","CuKα","","0.0265","0.0251","","","0.0648","0.0658","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082455","8.0502","0.0004","15.2648","0.0007","20.1562","0.001","90","","90","","90","","2476.9","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C18 H38 B F4 N Ni O2 P2 -","- C18 H38 B F4 N Ni O2 P2 -","- C72 H152 B4 F16 N4 Ni4 O8 P8 -","4","1","","Grabulosa, Arnald; Doran, Séan; Brandariz, Guillem; Muller, Guillermo; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier","Nickel(II) and Palladium(II) Complexes of the Small-Bite-Angle P-Stereogenic Diphosphine Ligand MaxPHOS and Its Monosulfide","Organometallics","2014","33","3","692","","10.1021/om400952y","","","0.71073","MoKα","","0.0394","0.0324","","","0.0713","0.0808","","","","","","1.053","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082456","8.254","0.0008","23.726","0.002","13.4822","0.0012","90","","107.584","0.002","90","","2516.9","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C18 H38 B F4 N O2 P2 Pd -","- C18 H38 B F4 N O2 P2 Pd -","- C72 H152 B4 F16 N4 O8 P8 Pd4 -","4","2","","Grabulosa, Arnald; Doran, Séan; Brandariz, Guillem; Muller, Guillermo; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier","Nickel(II) and Palladium(II) Complexes of the Small-Bite-Angle P-Stereogenic Diphosphine Ligand MaxPHOS and Its Monosulfide","Organometallics","2014","33","3","692","","10.1021/om400952y","","","0.71073","MoKα","","0.023","0.0225","","","0.0582","0.0588","","","","","","1.054","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082457","10.4941","0.0005","15.5535","0.0007","14.7277","0.0007","90","","101.492","0.002","90","","2355.66","0.19","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H38 B F4 N P2 Pd -","- C17 H38 B F4 N P2 Pd -","- C68 H152 B4 F16 N4 P8 Pd4 -","4","2","","Grabulosa, Arnald; Doran, Séan; Brandariz, Guillem; Muller, Guillermo; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier","Nickel(II) and Palladium(II) Complexes of the Small-Bite-Angle P-Stereogenic Diphosphine Ligand MaxPHOS and Its Monosulfide","Organometallics","2014","33","3","692","","10.1021/om400952y","","","0.71073","MoKα","","0.0626","0.0573","","","0.1487","0.1553","","","","","","1.07","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082458","9.428","0.0004","14.56","0.0005","10.632","0.0004","90","","115.116","0.001","90","","1321.48","0.09","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H40 B F4 N P2 Pd -","- C22 H40 B F4 N P2 Pd -","- C44 H80 B2 F8 N2 P4 Pd2 -","2","1","","Grabulosa, Arnald; Doran, Séan; Brandariz, Guillem; Muller, Guillermo; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier","Nickel(II) and Palladium(II) Complexes of the Small-Bite-Angle P-Stereogenic Diphosphine Ligand MaxPHOS and Its Monosulfide","Organometallics","2014","33","3","692","","10.1021/om400952y","","","0.71073","MoKα","","0.0404","0.0345","","","0.0683","0.0713","","","","","","1.027","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082459","10.7736","0.0008","17.6502","0.0013","21.3183","0.0015","90","","90","","90","","4053.8","0.5","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C27 H63 B Cl2 F4 N2 P4 Pd S2 -","- C27 H63 B Cl2 F4 N2 P4 Pd S2 -","- C108 H252 B4 Cl8 F16 N8 P16 Pd4 S8 -","4","1","","Grabulosa, Arnald; Doran, Séan; Brandariz, Guillem; Muller, Guillermo; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier","Nickel(II) and Palladium(II) Complexes of the Small-Bite-Angle P-Stereogenic Diphosphine Ligand MaxPHOS and Its Monosulfide","Organometallics","2014","33","3","692","","10.1021/om400952y","","","0.71073","MoKα","","0.0363","0.0294","","","0.0649","0.0667","","","","","","1.055","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082460","17.2115","0.0011","18.9698","0.0014","19.1654","0.0014","99.957","0.005","113.19","0.004","111.212","0.004","4985.8","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C149 H15 N3 O5 Os3 S6 -","- C149 H15 N3 O5 Os3 S6 -","- C298 H30 N6 O10 Os6 S12 -","2","1","","Lin, Yi-Sin; Yeh, Wen-Yann","Unusual Coupling Reaction of C60and Benzonitrile with Triosmium Carbonyls To Generate Fullerodiketimide Cluster Complexes","Organometallics","2014","33","3","731","","10.1021/om4011164","","","0.71073","MoKα","","0.1577","0.105","","","0.2802","0.3027","","","","","","1.017","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082461","27.076","0.003","14.7591","0.0019","25.284","0.003","90","","114.453","0.007","90","","9198","2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C154 H20 N4 O4 Os3 S4 -","- C154 H20 N4 O4 Os3 S4 -","- C616 H80 N16 O16 Os12 S16 -","4","1","","Lin, Yi-Sin; Yeh, Wen-Yann","Unusual Coupling Reaction of C60and Benzonitrile with Triosmium Carbonyls To Generate Fullerodiketimide Cluster Complexes","Organometallics","2014","33","3","731","","10.1021/om4011164","","","0.71073","MoKα","","0.1431","0.0688","","","0.1359","0.1594","","","","","","0.924","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082462","32.632","0.003","17.4273","0.0013","43.302","0.003","90","","103.879","0.002","90","","23906","3","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C101 H94 Cl N9 O7 P4 Ru -","- C101 H94 Cl N9 O7 P4 Ru -","- C808 H752 Cl8 N72 O56 P32 Ru8 -","8","1","","Gatri, Rafik; Ouerfelli, Ines; Efrit, Mohamed Lofti; Serein-Spirau, Françoise; Lère-Porte, Jean-Pierre; Valvin, Pierre; Roisnel, Thierry; Bivaud, Sébastien; Akdas-Kilig, Huriye; Fillaut, Jean-Luc","Supramolecular Ruthenium‒Alkynyl Multicomponent Architectures: Engineering, Photophysical Properties, and Responsiveness to Nitroaromatics","Organometallics","2014","33","3","665","","10.1021/om400811z","","x-ray","0.71073","MoKα","","0.1489","0.0803","","","0.2186","0.241","","","","","","0.993","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082463","18.2343","0.0004","18.2343","0.0004","11.9109","0.0002","90","","90","","120","","3429.68","0.12","140","2","140","2","","","","","","","","6","P 31","P 31","144","","","","- C48 H70 B Li O2 P2 -","- C48 H70 B Li O2 P2 -","- C144 H210 B3 Li3 O6 P6 -","3","1","","Parker, Evelyne; Cramer, Nicolai","Asymmetric Rhodium(I)-Catalyzed C‒C Activations with Zwitterionic Bis-phospholane Ligands","Organometallics","2014","33","3","780","","10.1021/om4011627","","","1.54178","CuKα","","0.048","0.0473","","","0.1303","0.131","","","","","","1.114","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082464","10.37956","0.00008","15.57637","0.00013","19.28434","0.00014","90","","90","","90","","3117.81","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 B P2 Rh -","- C33 H46 B P2 Rh -","- C132 H184 B4 P8 Rh4 -","4","1","","Parker, Evelyne; Cramer, Nicolai","Asymmetric Rhodium(I)-Catalyzed C‒C Activations with Zwitterionic Bis-phospholane Ligands","Organometallics","2014","33","3","780","","10.1021/om4011627","","","1.54178","CuKα","","0.0233","0.0206","","","0.0511","0.0522","","","","","","1.036","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082465","9.3775","0.0007","10.5872","0.0007","15.4558","0.0011","92.378","0.006","96.434","0.006","114.039","0.005","1386.13","0.18","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Cl7 N2 O3 Pt -","- C24 H19 Cl7 N2 O3 Pt -","- C48 H38 Cl14 N4 O6 Pt2 -","2","1","","Zumeta, Itziar; Kluge, Tim; Mendicute-Fierro, Claudio; Wagner, Cristoph; Ibarlucea, Lourdes; Rüffer, Tobias; San Nacianceno, Virginia; Steinborn, Dirk; Garralda, María A.","Reactivity of Quinoline-8-carbaldehyde toward Platina-β-diketone and Acetyl(amine)platinum(II) Complexes. Formation of Acyl(hydroxyalkyl)platinum(IV)","Organometallics","2014","33","3","788","","10.1021/om4011774","","","0.71073","MoKα","","0.0303","0.0276","","","0.0779","0.0808","","","","","","1.097","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082466","11.8278","0.0009","13.7252","0.001","15.5487","0.0012","108.166","0.007","102.44","0.007","108.553","0.007","2130.5","0.4","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 N2 O4.5 Pt2 -","- C24 H19 N2 O4.5 Pt2 -","- C96 H76 N8 O18 Pt8 -","4","2","","Zumeta, Itziar; Kluge, Tim; Mendicute-Fierro, Claudio; Wagner, Cristoph; Ibarlucea, Lourdes; Rüffer, Tobias; San Nacianceno, Virginia; Steinborn, Dirk; Garralda, María A.","Reactivity of Quinoline-8-carbaldehyde toward Platina-β-diketone and Acetyl(amine)platinum(II) Complexes. Formation of Acyl(hydroxyalkyl)platinum(IV)","Organometallics","2014","33","3","788","","10.1021/om4011774","","","1.54184","CuKα","","0.1034","0.0996","","","0.2453","0.2552","","","","","","1.104","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082467","8.6976","0.0008","14.2957","0.0014","19.3546","0.0019","95.158","0.004","95.079","0.004","107.554","0.004","2268.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Br2 Ir N5 O -","- C58 H44 Br2 Ir N5 O -","- C116 H88 Br4 Ir2 N10 O2 -","2","1","","Deligonul, Nihal; Browne, Amberle R.; Golen, James A.; Rheingold, Arnold L.; Gray, Thomas G.","Cyclometalated Iridium(III) Complexes of Azadipyrromethene Chromophores","Organometallics","2014","33","3","637","","10.1021/om4007032","","","0.71073","MoKα","","0.0801","0.0556","","","0.1109","0.1199","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082468","9.484","0.0005","40.549","0.002","12.0231","0.0006","90","","94.717","0.002","90","","4608","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H36 Br2 Ir N5 S2 -","- C58 H36 Br2 Ir N5 S2 -","- C232 H144 Br8 Ir4 N20 S8 -","4","1","","Deligonul, Nihal; Browne, Amberle R.; Golen, James A.; Rheingold, Arnold L.; Gray, Thomas G.","Cyclometalated Iridium(III) Complexes of Azadipyrromethene Chromophores","Organometallics","2014","33","3","637","","10.1021/om4007032","","","0.71073","MoKα","","0.0469","0.032","","","0.0538","0.0568","","","","","","1.044","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082469","39.809","0.002","14.0313","0.0007","37.0198","0.0016","90","","105.718","0.005","90","","19905","1.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C107 H79 Cl N2 -","- C107 H79 Cl N2 -","- C856 H632 Cl8 N16 -","8","1","","Dierick, Steve; Dewez, Damien F.; Markó, István E.","IPr*(2-Np)—An Exceedingly Bulky N-Heterocyclic Carbene","Organometallics","2014","33","3","677","","10.1021/om4008955","","","0.71073","MoKα","","0.122","0.0908","","","0.2217","0.2427","","","","","","1.077","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082470","14.0393","0.0011","14.4179","0.001","24.8519","0.0017","73.245","0.005","82.809","0.006","77.903","0.006","4698.6","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C103 H74 Ag Cl7 N2 -","- C103 H74 Ag Cl7 N2 -","- C206 H148 Ag2 Cl14 N4 -","2","1","","Dierick, Steve; Dewez, Damien F.; Markó, István E.","IPr*(2-Np)—An Exceedingly Bulky N-Heterocyclic Carbene","Organometallics","2014","33","3","677","","10.1021/om4008955","","","0.71073","MoKα","","0.108","0.0784","","","0.2142","0.2356","","","","","","1.006","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082471","14.1747","0.0004","14.3542","0.0002","25.0078","0.0008","73.281","0.002","82.616","0.003","78.712","0.002","4764.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H75 Cl10 Cu N2 -","- C104 H75 Cl10 Cu N2 -","- C208 H150 Cl20 Cu2 N4 -","2","1","","Dierick, Steve; Dewez, Damien F.; Markó, István E.","IPr*(2-Np)—An Exceedingly Bulky N-Heterocyclic Carbene","Organometallics","2014","33","3","677","","10.1021/om4008955","","","0.71073","MoKα","","0.1093","0.0896","","","0.2542","0.2701","","","","","","1.038","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082472","18.5904","0.0002","20.7069","0.0002","8.7469","0.0001","90","","90","","90","","3367.12","0.06","160","1","160","1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C38 H34 Cl2 O3 Pt S2 -","- C34 H26 Cl2 O2 Pt S2 -","- C136 H104 Cl8 O8 Pt4 S8 -","4","1","","Drinkel, Emma E.; Wu, Linglin; Linden, Anthony; Dorta, Reto","Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes","Organometallics","2014","33","3","627","","10.1021/om4000067","","","0.71073","MoKα","","0.0274","0.0259","","","0.0609","0.0615","","","","","","1.069","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082473","10.9606","0.0001","10.9606","0.0001","28.9827","0.0004","90","","90","","120","","3015.35","0.06","160","1","160","1","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C46 H46 F6 O8 Pd S2 -","- C38 H26 F6 O6 Pd S2 -","- C114 H78 F18 O18 Pd3 S6 -","3","0.5","","Drinkel, Emma E.; Wu, Linglin; Linden, Anthony; Dorta, Reto","Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes","Organometallics","2014","33","3","627","","10.1021/om4000067","","","0.71073","MoKα","","0.0618","0.0494","","","0.1336","0.1399","","","","","","1.121","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082474","8.4293","0.0001","26.3296","0.0003","14.5271","0.0002","90","","91.0399","0.0007","90","","3223.61","0.07","160","1","160","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C69 H54 B2 Cl2 F8 O4 Pd S4 -","- C68 H52 B2 F8 O4 Pd S4 -","- C136 H104 B4 F16 O8 Pd2 S8 -","2","1","","Drinkel, Emma E.; Wu, Linglin; Linden, Anthony; Dorta, Reto","Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes","Organometallics","2014","33","3","627","","10.1021/om4000067","","","0.71073","MoKα","","0.0479","0.0389","","","0.0918","0.0971","","","","","","1.09","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082475","10.185","0.0002","16.3539","0.0002","11.0248","0.0002","90","","103.372","0.0005","90","","1786.55","0.05","160","1","160","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H26 F6 O6 Pt S2 -","- C38 H26 F6 O6 Pt S2 -","- C76 H52 F12 O12 Pt2 S4 -","2","1","","Drinkel, Emma E.; Wu, Linglin; Linden, Anthony; Dorta, Reto","Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes","Organometallics","2014","33","3","627","","10.1021/om4000067","","","0.71073","MoKα","","0.0437","0.0379","","","0.0902","0.0941","","","","","","1.026","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082476","16.6646","0.0003","8.4729","0.0002","12.1747","0.0002","90","","90","","90","","1719.04","0.06","160","1","160","1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C35 H28 Cl2 I2 O2 Pt S2 -","- C35 H28 Cl2 I2 O2 Pt S2 -","- C70 H56 Cl4 I4 O4 Pt2 S4 -","2","0.5","","Drinkel, Emma E.; Wu, Linglin; Linden, Anthony; Dorta, Reto","Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes","Organometallics","2014","33","3","627","","10.1021/om4000067","","","0.71073","MoKα","","0.0424","0.0367","","","0.091","0.0944","","","","","","1.045","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082477","16.63117","0.00016","13.51188","0.00011","14.73229","0.00012","90","","100.408","0.0009","90","","3256.15","0.05","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 Cl2 O2 Pt S2 -","- C35 H42 Cl2 O2 Pt S2 -","- C140 H168 Cl8 O8 Pt4 S8 -","4","1","","Drinkel, Emma E.; Wu, Linglin; Linden, Anthony; Dorta, Reto","Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes","Organometallics","2014","33","3","627","","10.1021/om4000067","","","0.71073","MoKα","","0.0382","0.0225","","","0.0464","0.0479","","","","","","0.931","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082478","7.1041","0.0002","13.5525","0.0003","17.0666","0.0004","81.698","0.001","85.466","0.001","83.345","0.001","1611.72","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H36 B N3 -","- C41 H36 B N3 -","- C82 H72 B2 N6 -","2","1","","Lee, Young Hoon; Nghia, Nguyen Van; Go, Min Jeong; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung","Terpyridine‒Triarylborane Conjugates for the Dual Complexation of Zinc(II) Cation and Fluoride Anion","Organometallics","2014","33","3","753","","10.1021/om401151p","","","0.71073","MoKα","","0.089","0.065","","","0.1926","0.2106","","","","","","1.078","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082479","8.236","0.0016","12.962","0.003","18.207","0.004","84.03","0.03","85.26","0.03","83.31","0.03","1915.1","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H39 B Cl2 N4 Zn -","- C43 H39 B Cl2 N4 Zn -","- C86 H78 B2 Cl4 N8 Zn2 -","2","1","","Lee, Young Hoon; Nghia, Nguyen Van; Go, Min Jeong; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung","Terpyridine‒Triarylborane Conjugates for the Dual Complexation of Zinc(II) Cation and Fluoride Anion","Organometallics","2014","33","3","753","","10.1021/om401151p","","","0.63","synchrotron","","0.0666","0.0545","","","0.1406","0.1529","","","","","","0.992","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4082480","16.101","0.003","13.544","0.003","15.993","0.003","90","","93.91","0.03","90","","3479.5","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 B Cl2 N3 Zn -","- C41 H36 B Cl2 N3 Zn -","- C164 H144 B4 Cl8 N12 Zn4 -","4","1","","Lee, Young Hoon; Nghia, Nguyen Van; Go, Min Jeong; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung","Terpyridine‒Triarylborane Conjugates for the Dual Complexation of Zinc(II) Cation and Fluoride Anion","Organometallics","2014","33","3","753","","10.1021/om401151p","","","0.63","synchrotron","","0.0549","0.0409","","","0.1111","0.1158","","","","","","1.085","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082481","8.4974","0.0003","8.5062","0.0003","24.299","0.0009","89.841","0.002","83.333","0.002","84.43","0.002","1736.17","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H36 B Cl2 N3 Zn -","- C41 H36 B Cl2 N3 Zn -","- C82 H72 B2 Cl4 N6 Zn2 -","2","1","","Lee, Young Hoon; Nghia, Nguyen Van; Go, Min Jeong; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung","Terpyridine‒Triarylborane Conjugates for the Dual Complexation of Zinc(II) Cation and Fluoride Anion","Organometallics","2014","33","3","753","","10.1021/om401151p","","","0.71073","MoKα","","0.0255","0.0232","","","0.0702","0.0769","","","","","","1.049","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082482","8.0466","0.0002","7.6224","0.0002","11.8986","0.0003","90","","106.668","0.003","90","","699.13","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N O P -","- C15 H18 N O P -","- C30 H36 N2 O2 P2 -","2","1","","Ghalib, Mohammed; Jones, Peter G.; Lysenko, Sergej; Heinicke, Joachim W.","Enantiomerically Pure N Chirally Substituted 1,3-Benzazaphospholes: Synthesis, Reactivity towardtBuLi, and Conversion to Functionalized Benzazaphospholes and Catalytically Useful Dihydrobenzazaphospholes","Organometallics","2014","33","3","804","","10.1021/om401184n","","","0.71073","MoKα","","0.0276","0.025","","","0.0684","0.069","","","","","","1.084","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082483","7.71","0.0003","8.008","0.0004","11.3519","0.0004","90","","94.838","0.005","90","","698.39","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 N O P -","- C16 H16 N O P -","- C32 H32 N2 O2 P2 -","2","1","","Ghalib, Mohammed; Jones, Peter G.; Lysenko, Sergej; Heinicke, Joachim W.","Enantiomerically Pure N Chirally Substituted 1,3-Benzazaphospholes: Synthesis, Reactivity towardtBuLi, and Conversion to Functionalized Benzazaphospholes and Catalytically Useful Dihydrobenzazaphospholes","Organometallics","2014","33","3","804","","10.1021/om401184n","","","0.71073","MoKα","","0.0427","0.0311","","","0.0605","0.0621","","","","","","0.929","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082484","9.8891","0.0004","13.8203","0.0006","19.0595","0.0008","100.073","0.001","103.148","0.001","95.077","0.001","2475.03","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H69 Lu N4 O0 Si2 -","- C48 H69 Lu N4 Si2 -","- C96 H138 Lu2 N8 Si4 -","2","1","","Yao, Changguang; Liu, Dongtao; Li, Ping; Wu, Chunji; Li, Shihui; Liu, Bo; Cui, Dongmei","Highly 3,4-Selective Living Polymerization of Isoprene and Copolymerization with ε-Caprolactone by an Amidino N-Heterocyclic Carbene Ligated Lutetium Bis(alkyl) Complex","Organometallics","2014","33","3","684","","10.1021/om400925a","","","0.71073","MoKα","","0.0505","0.0409","","","0.0905","0.0956","","","","","","1.023","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082485","13.8737","0.0004","16.1595","0.0005","17.8143","0.0005","115.11","0.0013","90.2211","0.0014","98.3385","0.0017","3568.6","0.19","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C107 H39.5 Cl4.5 F6 Ir Li O P3 -","- C107 H39.5 Cl4.5 F6 Ir Li O P3 -","- C214 H79 Cl9 F12 Ir2 Li2 O2 P6 -","2","1","","Watanabe, Takahito; Itoh, Masato F.; Komuro, Takashi; Okada, Hiroshi; Sakai, Takeshi; Ono, Yoshihiro; Kawachi, Kazuhiko; Kasama, Yasuhiko; Tobita, Hiromi","Iridium and Platinum Complexes of Li+@C60","Organometallics","2014","33","3","608","","10.1021/om4008899","","","0.71073","MoKα","","0.0546","0.0439","","","0.1104","0.1226","","","","","","1.21","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082486","10.073","0.0005","17.9476","0.0009","19.2517","0.0008","100.356","0.0013","93.655","0.002","104.11","0.0012","3299.3","0.3","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C96.5 H33 Cl5 F6 Fe Li P3 Pt -","- C96.5 H32 Cl5 F6 Fe Li P3 Pt -","- C193 H64 Cl10 F12 Fe2 Li2 P6 Pt2 -","2","1","","Watanabe, Takahito; Itoh, Masato F.; Komuro, Takashi; Okada, Hiroshi; Sakai, Takeshi; Ono, Yoshihiro; Kawachi, Kazuhiko; Kasama, Yasuhiko; Tobita, Hiromi","Iridium and Platinum Complexes of Li+@C60","Organometallics","2014","33","3","608","","10.1021/om4008899","","","0.71073","MoKα","","0.0577","0.0474","","","0.1151","0.1228","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082487","11.248","0.0011","15.7888","0.0016","23.402","0.002","90","","90","","90","","4156","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C37 H49 Cl3 F6 O3 P Ru Sb -","- C37 H49 Cl3 F6 O3 P Ru Sb -","- C148 H196 Cl12 F24 O12 P4 Ru4 Sb4 -","4","1","","Carmona, Daniel; Lamata, M. Pilar; Pardo, Pilar; Rodr\?íguez, Ricardo; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Alkorta, Ibon; Elguero, José; Oro, Luis A.","Arene‒Ruthenium Chemistry and Brønsted Acid Catalysis of a Chiral Phosphane-Hydroxyl Ligand","Organometallics","2014","33","3","616","","10.1021/om401215m","","","0.71073","MoKα","","0.1509","0.0895","","","0.1695","0.1984","","","","","","1.074","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082488","11.773","0.002","11.594","0.002","18.105","0.003","90","","103.256","0.003","90","","2405.4","0.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H57 F12 O4 P Ru Sb2 -","- C40 H57 F12 O4 P Ru Sb2 -","- C80 H114 F24 O8 P2 Ru2 Sb4 -","2","1","","Carmona, Daniel; Lamata, M. Pilar; Pardo, Pilar; Rodr\?íguez, Ricardo; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Alkorta, Ibon; Elguero, José; Oro, Luis A.","Arene‒Ruthenium Chemistry and Brønsted Acid Catalysis of a Chiral Phosphane-Hydroxyl Ligand","Organometallics","2014","33","3","616","","10.1021/om401215m","","","0.71073","MoKα","","0.0852","0.0482","","","0.0954","0.1102","","","","","","1.01","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082489","10.5915","0.0003","13.0298","0.0003","13.0621","0.0003","71.6251","0.0016","78.7715","0.0016","68.7673","0.0014","1587.97","0.07","200","","200","","","","","","","","Research School of Chemistry","5","P -1","-P 1","2","","","","- C38 H34 N2 P2 Si -","- C38 H34 N2 P2 Si -","- C76 H68 N4 P4 Si2 -","2","1","","Dixon, Lily S. H.; Hill, Anthony F.; Sinha, Arup; Ward, Jas S.","N-Heterocyclic Silyl Pincer Ligands","Organometallics","2014","33","3","653","","10.1021/om400792j","","","0.71073","MoKα","","0.0663","0.0439","","0.1094","0.0976","0.1094","","","","","","0.9815","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082490","11.6868","0.0002","14.0096","0.0002","15.4974","0.0003","80.3054","0.0012","75.3846","0.0008","82.5635","0.0011","2410.11","0.07","200","","200","","","","","","","","Research School of Chemistry","8","P -1","-P 1","2","","","","- C57 H48 Cl N2 O P3 Ru Si -","- C57 H48 Cl N2 O P3 Ru Si -","- C114 H96 Cl2 N4 O2 P6 Ru2 Si2 -","2","1","","Dixon, Lily S. H.; Hill, Anthony F.; Sinha, Arup; Ward, Jas S.","N-Heterocyclic Silyl Pincer Ligands","Organometallics","2014","33","3","653","","10.1021/om400792j","","","0.71073","MoKα","","0.0454","0.0379","","0.1013","0.0962","0.1013","","","","","","0.9987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082491","11.4602","0.0004","13.8696","0.0006","15.3944","0.0008","84.636","0.002","77.551","0.002","82.766","0.003","2364.8","0.18","200","","200","","","","","","","","Research School of Chemistry","7","P -1","-P 1","2","","","","- C56 H49 Cl N2 P3 Rh Si -","- C56 H49 Cl N2 P3 Rh Si -","- C112 H98 Cl2 N4 P6 Rh2 Si2 -","2","1","","Dixon, Lily S. H.; Hill, Anthony F.; Sinha, Arup; Ward, Jas S.","N-Heterocyclic Silyl Pincer Ligands","Organometallics","2014","33","3","653","","10.1021/om400792j","","","0.71073","MoKα","","0.0649","0.0489","","0.1229","0.1133","0.1229","","","","","","1.0098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082492","11.7435","0.0001","13.3987","0.0002","17.0566","0.0002","87.2376","0.0007","86.4154","0.0008","67.1037","0.0006","2466.69","0.05","200","","200","","","","","","","","Research School of Chemistry","7","P -1","-P 1","2","","","","- C59 H52 Cl N2 P3 Rh Si -","- C59 H52 Cl N2 P3 Rh Si -","- C118 H104 Cl2 N4 P6 Rh2 Si2 -","2","1","","Dixon, Lily S. H.; Hill, Anthony F.; Sinha, Arup; Ward, Jas S.","N-Heterocyclic Silyl Pincer Ligands","Organometallics","2014","33","3","653","","10.1021/om400792j","","","0.71073","MoKα","","0.0445","0.0341","","0.084","0.079","0.084","","","","","","0.9812","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082493","10.0377","0.0001","19.8396","0.0002","21.5427","0.0002","90","","93.1874","0.0006","90","","4283.46","0.07","200","","200","","","","","","","","Research School of Chemistry","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H47 N3 P2 Rh S2 Si -","- C46 H47 N3 P2 Rh S2 Si -","- C184 H188 N12 P8 Rh4 S8 Si4 -","4","1","","Dixon, Lily S. H.; Hill, Anthony F.; Sinha, Arup; Ward, Jas S.","N-Heterocyclic Silyl Pincer Ligands","Organometallics","2014","33","3","653","","10.1021/om400792j","","","0.71073","MoKα","","0.0375","0.0293","","0.0733","0.0692","0.0733","","","","","","1.0017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082494","8.3578","0.0003","9.1768","0.0003","9.3694","0.0003","85.464","0.002","65.173","0.002","86.866","0.002","649.97","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 Cl2 P2 Pt -","- C24 H46 Cl2 P2 Pt -","- C24 H46 Cl2 P2 Pt -","1","0.5","","Lister, Julia M.; Carreira, Monica; Haddow, Mairi F.; Hamilton, Alex; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.; Stennett, Tom E.","Unexpectedly High Barriers to M‒P Rotation in Tertiary Phobane Complexes: PhobPR Behavior That Is Commensurate withtBu2PR","Organometallics","2014","33","3","702","","10.1021/om400980e","","","0.71073","MoKα","","0.0181","0.018","","","0.0456","0.0457","","","","","","1.061","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082495","8.1637","0.0006","7.8841","0.0006","20.4032","0.0017","90","","92.787","0.006","90","","1311.67","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 Cl2 P2 Pt -","- C24 H46 Cl2 P2 Pt -","- C48 H92 Cl4 P4 Pt2 -","2","0.5","","Lister, Julia M.; Carreira, Monica; Haddow, Mairi F.; Hamilton, Alex; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.; Stennett, Tom E.","Unexpectedly High Barriers to M‒P Rotation in Tertiary Phobane Complexes: PhobPR Behavior That Is Commensurate withtBu2PR","Organometallics","2014","33","3","702","","10.1021/om400980e","","","0.71073","MoKα","","0.0958","0.0585","","","0.109","0.1166","","","","","","1.236","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082496","11.983","0.001","12.2971","0.001","18.1806","0.0016","90","","101.331","0.005","90","","2626.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 Cl2 P2 Pt -","- C24 H46 Cl2 P2 Pt -","- C96 H184 Cl8 P8 Pt4 -","4","1","","Lister, Julia M.; Carreira, Monica; Haddow, Mairi F.; Hamilton, Alex; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.; Stennett, Tom E.","Unexpectedly High Barriers to M‒P Rotation in Tertiary Phobane Complexes: PhobPR Behavior That Is Commensurate withtBu2PR","Organometallics","2014","33","3","702","","10.1021/om400980e","","","0.71073","MoKα","","0.1411","0.0645","","","0.1073","0.134","","","","","","1.01","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082497","10.0716","0.0013","17.273","0.002","15.466","0.002","90","","93.564","0.007","90","","2685.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Cl2 P2 Pt -","- C24 H46 Cl2 P2 Pt -","- C96 H184 Cl8 P8 Pt4 -","4","1","","Lister, Julia M.; Carreira, Monica; Haddow, Mairi F.; Hamilton, Alex; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.; Stennett, Tom E.","Unexpectedly High Barriers to M‒P Rotation in Tertiary Phobane Complexes: PhobPR Behavior That Is Commensurate withtBu2PR","Organometallics","2014","33","3","702","","10.1021/om400980e","","","0.71073","MoKα","","0.0219","0.0189","","","0.0441","0.0453","","","","","","1.155","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082498","7.765","0.0003","7.8175","0.0004","11.0564","0.0005","97.289","0.003","103.064","0.003","96.625","0.003","641.25","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 Cl2 P2 Pd -","- C24 H46 Cl2 P2 Pd -","- C24 H46 Cl2 P2 Pd -","1","0.5","","Lister, Julia M.; Carreira, Monica; Haddow, Mairi F.; Hamilton, Alex; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.; Stennett, Tom E.","Unexpectedly High Barriers to M‒P Rotation in Tertiary Phobane Complexes: PhobPR Behavior That Is Commensurate withtBu2PR","Organometallics","2014","33","3","702","","10.1021/om400980e","","","0.71073","MoKα","","0.0604","0.0556","","","0.1441","0.1467","","","","","","1.121","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082499","8.3609","0.0007","9.1728","0.0009","9.3913","0.0009","85.75","0.005","64.862","0.005","86.813","0.005","650","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 Cl2 P2 Pd -","- C24 H46 Cl2 P2 Pd -","- C24 H46 Cl2 P2 Pd -","1","0.5","","Lister, Julia M.; Carreira, Monica; Haddow, Mairi F.; Hamilton, Alex; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.; Stennett, Tom E.","Unexpectedly High Barriers to M‒P Rotation in Tertiary Phobane Complexes: PhobPR Behavior That Is Commensurate withtBu2PR","Organometallics","2014","33","3","702","","10.1021/om400980e","","","0.71073","MoKα","","0.1068","0.0692","","","0.1808","0.1999","","","","","","1.121","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082500","19.5252","0.0005","16.2838","0.0004","8.8634","0.0002","90","","109.941","0.001","90","","2649.11","0.11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H46 Cl2 P2 Pd -","- C24 H46 Cl2 P2 Pd -","- C96 H184 Cl8 P8 Pd4 -","4","0.5","","Lister, Julia M.; Carreira, Monica; Haddow, Mairi F.; Hamilton, Alex; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.; Stennett, Tom E.","Unexpectedly High Barriers to M‒P Rotation in Tertiary Phobane Complexes: PhobPR Behavior That Is Commensurate withtBu2PR","Organometallics","2014","33","3","702","","10.1021/om400980e","","","0.71073","MoKα","","0.041","0.0296","","","0.072","0.0797","","","","","","0.894","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082501","10.0704","0.0003","17.3101","0.0004","15.4017","0.0004","90","","93.511","0.001","90","","2679.78","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Cl2 P2 Pd -","- C24 H46 Cl2 P2 Pd -","- C96 H184 Cl8 P8 Pd4 -","4","1","","Lister, Julia M.; Carreira, Monica; Haddow, Mairi F.; Hamilton, Alex; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.; Stennett, Tom E.","Unexpectedly High Barriers to M‒P Rotation in Tertiary Phobane Complexes: PhobPR Behavior That Is Commensurate withtBu2PR","Organometallics","2014","33","3","702","","10.1021/om400980e","","","0.71073","MoKα","","0.065","0.0433","","","0.0933","0.1048","","","","","","1.151","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082502","11.9319","0.0004","8.9612","0.0003","13.2301","0.0005","90","","113.156","0.001","90","","1300.65","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H23 P Se -","- C12 H23 P Se -","- C48 H92 P4 Se4 -","4","1","","Lister, Julia M.; Carreira, Monica; Haddow, Mairi F.; Hamilton, Alex; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.; Stennett, Tom E.","Unexpectedly High Barriers to M‒P Rotation in Tertiary Phobane Complexes: PhobPR Behavior That Is Commensurate withtBu2PR","Organometallics","2014","33","3","702","","10.1021/om400980e","","","0.71073","MoKα","","0.0225","0.0191","","","0.0489","0.0503","","","","","","1.051","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082503","7.3002","0.0002","9.1583","0.0002","10.1355","0.0002","111.174","0.001","93.095","0.001","92.187","0.001","629.75","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H23 P Se -","- C12 H23 P Se -","- C24 H46 P2 Se2 -","2","1","","Lister, Julia M.; Carreira, Monica; Haddow, Mairi F.; Hamilton, Alex; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.; Stennett, Tom E.","Unexpectedly High Barriers to M‒P Rotation in Tertiary Phobane Complexes: PhobPR Behavior That Is Commensurate withtBu2PR","Organometallics","2014","33","3","702","","10.1021/om400980e","","","0.71073","MoKα","","0.0246","0.0228","","","0.06","0.061","","","","","","1.164","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082504","7.0652","0.001","9.8344","0.0014","10.6283","0.0016","115.834","0.006","101.468","0.005","92.32","0.006","644.6","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H23 P Se -","- C12 H23 P Se -","- C24 H46 P2 Se2 -","2","1","","Lister, Julia M.; Carreira, Monica; Haddow, Mairi F.; Hamilton, Alex; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.; Stennett, Tom E.","Unexpectedly High Barriers to M‒P Rotation in Tertiary Phobane Complexes: PhobPR Behavior That Is Commensurate withtBu2PR","Organometallics","2014","33","3","702","","10.1021/om400980e","","","0.71073","MoKα","","0.0161","0.0151","","","0.04","0.0402","","","","","","1.05","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082505","5.8811","0.0012","13.267","0.003","6.5236","0.0013","90","","97.4","0.03","90","","504.76","0.19","172","2","172","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","(2,4-dimethyl-ε^5 ^-pentadienyl)tricarbonylmanganese","","- C10 H11 Mn O3 -","- C10 H11 Mn O3 -","- C20 H22 Mn2 O6 -","2","0.5","","de la Cruz Cruz, José Ignacio; Juárez-Saavedra, Patricia; Paz-Michel, Brenda; Leyva-Ramirez, Marco Antonio; Rajapakshe, Asha; Vannucci, Aaron K.; Lichtenberger, Dennis L.; Paz-Sandoval, M. Angeles","Phosphine-Substituted (η5-Pentadienyl) Manganese Carbonyl Complexes: Geometric Structures, Electronic Structures, and Energetic Properties of the Associative Substitution Mechanism, Including Isolation of the Slipped η3-Pentadienyl Associative Intermediate","Organometallics","2014","33","1","278","","10.1021/om401017t","","x-ray","0.71073","MoKα","","0.0313","0.0283","","","0.0645","0.0661","","","","","","1.069","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082506","11.7828","0.0006","7.2815","0.0003","18.0404","0.0011","90","","91.07","0.002","90","","1547.53","0.14","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","Compound 2","(2,4-dimethyl-ε^5 ^-pentadienyl)tricarbonyltrimethyl phosphinemanganese","","- C13 H20 Mn O3 P -","- C13 H20 Mn O3 P -","- C52 H80 Mn4 O12 P4 -","4","1","","de la Cruz Cruz, José Ignacio; Juárez-Saavedra, Patricia; Paz-Michel, Brenda; Leyva-Ramirez, Marco Antonio; Rajapakshe, Asha; Vannucci, Aaron K.; Lichtenberger, Dennis L.; Paz-Sandoval, M. Angeles","Phosphine-Substituted (η5-Pentadienyl) Manganese Carbonyl Complexes: Geometric Structures, Electronic Structures, and Energetic Properties of the Associative Substitution Mechanism, Including Isolation of the Slipped η3-Pentadienyl Associative Intermediate","Organometallics","2014","33","1","278","","10.1021/om401017t","","x-ray","0.71073","MoKα","","0.1143","0.0479","","","0.0822","0.1009","","","","","","0.99","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082507","11.423","0.002","13.078","0.003","8.8164","0.0018","90","","90","","90","","1317.1","0.5","173","2","173","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","Compound 3","(2,4-dimethyl-ε^5 ^-pentadienyl)dicarbonyltrimethyl phosphinemanganese","","- C12 H20 Mn O2 P -","- C12 H20 Mn O2 P -","- C48 H80 Mn4 O8 P4 -","4","0.5","","de la Cruz Cruz, José Ignacio; Juárez-Saavedra, Patricia; Paz-Michel, Brenda; Leyva-Ramirez, Marco Antonio; Rajapakshe, Asha; Vannucci, Aaron K.; Lichtenberger, Dennis L.; Paz-Sandoval, M. Angeles","Phosphine-Substituted (η5-Pentadienyl) Manganese Carbonyl Complexes: Geometric Structures, Electronic Structures, and Energetic Properties of the Associative Substitution Mechanism, Including Isolation of the Slipped η3-Pentadienyl Associative Intermediate","Organometallics","2014","33","1","278","","10.1021/om401017t","","x-ray","0.71073","MoKα","","0.0406","0.033","","","0.0793","0.0829","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082508","10.2957","0.0005","12.8814","0.0006","13.1551","0.0008","90","","90","","90","","1744.67","0.16","172","2","172","2","","","","","","","","5","P b n 21","P 2c -2ab","33","","(2,4-dimethyl-ε^5 ^-pentadienyl)carbonyl(bis-trimethyl phosphine)manganese","","- C14 H29 Mn O P2 -","- C14 H29 Mn O P2 -","- C56 H116 Mn4 O4 P8 -","4","1","","de la Cruz Cruz, José Ignacio; Juárez-Saavedra, Patricia; Paz-Michel, Brenda; Leyva-Ramirez, Marco Antonio; Rajapakshe, Asha; Vannucci, Aaron K.; Lichtenberger, Dennis L.; Paz-Sandoval, M. Angeles","Phosphine-Substituted (η5-Pentadienyl) Manganese Carbonyl Complexes: Geometric Structures, Electronic Structures, and Energetic Properties of the Associative Substitution Mechanism, Including Isolation of the Slipped η3-Pentadienyl Associative Intermediate","Organometallics","2014","33","1","278","","10.1021/om401017t","","x-ray","0.71073","MoKα","","0.0745","0.0443","","","0.0728","0.0816","","","","","","1.019","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082509","17.7878","0.0012","12.6131","0.0006","17.4643","0.001","90","","100.008","0.005","90","","3858.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Co4 O14 Si2 -","- C28 H30 Co4 O14 Si2 -","- C112 H120 Co16 O56 Si8 -","4","1","","Melikyan, Gagik G.; Voorhees, Erin; Sepanian, Ruth","Radical Reactions of the Cobalt-Complexed Propargyl Acetals: Inter- and Intramolecular Variants","Organometallics","2014","33","1","69","","10.1021/om400718w","","","1.54178","CuKα","","0.2723","0.0965","","","0.193","0.2703","","","","","","0.902","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082510","9.1519","0.0006","12.3","0.0008","13.0848","0.0009","86.445","0.002","71.574","0.002","73.18","0.002","1336.93","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H33 Br N2 O2 Pd -","- C29 H33 Br N2 O2 Pd -","- C58 H66 Br2 N4 O4 Pd2 -","2","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.0249","0.0228","","","0.0547","0.0557","","","","","","1.051","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082511","13.5784","0.0011","14.6078","0.0012","14.8645","0.0012","90","","107.476","0.002","90","","2812.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H33.5 Cl2.5 N2 O0 Pd -","- C29.5 H33.5 Cl2.5 N2 Pd -","- C118 H134 Cl10 N8 Pd4 -","4","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.028","0.0262","","","0.0625","0.0636","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082512","10.2812","0.0008","16.4926","0.0012","17.1709","0.0013","64.163","0.002","72.926","0.002","80.04","0.002","2501.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H31.4 Cl N2 O2.2 Pd -","- C25 H31 Cl N2 O2.201 Pd -","- C100 H124 Cl4 N8 O8.804 Pd4 -","4","2","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.0253","0.024","","","0.0609","0.0617","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082513","13.1905","0.0011","14.4688","0.0011","20.9164","0.0016","71.625","0.002","74.668","0.002","73.472","0.002","3564.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H47 Br N3 O2.5 Pd -","- C36 H47 Br N3 O2.5 Pd -","- C144 H188 Br4 N12 O10 Pd4 -","4","2","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.0408","0.0322","","","0.0753","0.0783","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082514","27.304","0.003","11.2118","0.0011","31.402","0.003","90","","90","","90","","9613","1.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H53 Br Cl3 N3 O3 Pd -","- C47 H53 Br Cl3 N3 O3 Pd -","- C376 H424 Br8 Cl24 N24 O24 Pd8 -","8","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.0556","0.0421","","","0.0868","0.0911","","","","","","1.128","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082515","28.7783","0.0006","28.7783","0.0006","17.5019","0.0004","90","","90","","120","","12553","0.5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H33 Cl N2 Pd -","- C33 H33 Cl N2 Pd -","- C594 H594 Cl18 N36 Pd18 -","18","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.0254","0.0219","","","0.0536","0.055","","","","","","1.068","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082516","9.0503","0.0008","12.5148","0.0011","16.6544","0.0015","80.959","0.002","80.951","0.002","81.243","0.002","1823.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H43 F3 N2 O6 S -","- C38 H43 F3 N2 O6 S -","- C76 H86 F6 N4 O12 S2 -","2","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.0498","0.0457","","","0.1158","0.1188","","","","","","1.05","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082517","9.759","0.0008","11.4931","0.0009","11.6558","0.0009","96.708","0.002","94.319","0.002","112.951","0.002","1185.11","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Br N O4 -","- C26 H28 Br N O4 -","- C52 H56 Br2 N2 O8 -","2","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.0388","0.0322","","","0.085","0.0887","","","","","","1.049","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082518","12.9424","0.0011","15.4431","0.0012","12.0084","0.0009","90","","102.573","0.002","90","","2342.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl N O2 -","- C26 H28 Cl N O2 -","- C104 H112 Cl4 N4 O8 -","4","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.0545","0.0493","","","0.1121","0.1155","","","","","","1.108","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082519","9.691","0.0007","9.6693","0.0007","30.787","0.002","90","","94.473","0.002","90","","2876.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 F3 N O6 S -","- C29 H32 F3 N O6 S -","- C116 H128 F12 N4 O24 S4 -","4","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.0548","0.0511","","","0.1275","0.1304","","","","","","1.02","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082520","12.8765","0.0013","14.3057","0.0014","24.212","0.002","90","","90","","90","","4460","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H24 F3 N O5 S -","- C21 H24 F3 N O5 S -","- C168 H192 F24 N8 O40 S8 -","8","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.0979","0.0802","","","0.1665","0.1748","","","","","","1.236","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082521","12.362","0.0012","9.5198","0.0007","20.1624","0.0016","90","","107.636","0.002","90","","2261.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 F3 N O3 S -","- C25 H24 F3 N O3 S -","- C100 H96 F12 N4 O12 S4 -","4","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.0491","0.0426","","","0.1039","0.1078","","","","","","1.045","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082522","10.9754","0.0015","31.177","0.004","12.5004","0.0017","90","","99.6476","0.0018","90","","4216.9","1","83","2","83","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C47 H70 Y2 -","- C47 H70 Y2 -","- C188 H280 Y8 -","4","1","","Webster, Christopher L.; Ziller, Joseph W.; Evans, William J.","Solvent-Free Organometallic Reactivity: Synthesis of Hydride and Carboxylate Complexes of Uranium and Yttrium from Gas/Solid Reactions","Organometallics","2014","33","1","433","","10.1021/om401122d","","","0.71073","MoKα","","0.0646","0.035","","","0.0748","0.084","","","","","","1.027","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082523","13.102","0.0004","7.998","0.0002","27.5786","0.0009","90","","90.259","0.002","90","","2889.93","0.15","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 N O2 -","- C37 H37 N O2 -","- C148 H148 N4 O8 -","4","1","","Klitzke, Joice S.; Roisnel, Thierry; Kirillov, Evgeny; Casagrande, Osvaldo de L.; Carpentier, Jean-François","Yttrium‒ and Aluminum‒Bis(phenolate)pyridine Complexes: Catalysts and Model Compounds of the Intermediates for the Stereoselective Ring-Opening Polymerization of Racemic Lactide and β-Butyrolactone","Organometallics","2014","33","1","309","","10.1021/om401047r","","x-ray","0.71073","MoKα","","0.0648","0.0441","","","0.1085","0.1202","","","","","","1.036","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082524","12.896","0.002","25.405","0.003","15.536","0.002","90","","110.122","0.005","90","","4779.3","1.1","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H67 N2 O4 Si2 Y -","- C49 H67 N2 O4 Si2 Y -","- C196 H268 N8 O16 Si8 Y4 -","4","1","","Klitzke, Joice S.; Roisnel, Thierry; Kirillov, Evgeny; Casagrande, Osvaldo de L.; Carpentier, Jean-François","Yttrium‒ and Aluminum‒Bis(phenolate)pyridine Complexes: Catalysts and Model Compounds of the Intermediates for the Stereoselective Ring-Opening Polymerization of Racemic Lactide and β-Butyrolactone","Organometallics","2014","33","1","309","","10.1021/om401047r","","x-ray","0.71073","MoKα","","0.0742","0.0518","","","0.1261","0.136","","","","","","1.022","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082525","15.8935","0.0005","16.9816","0.0004","18.2728","0.0006","107.269","0.001","107.16","0.001","114.626","0.001","3750.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C84 H88 Al2 N2 O10 -","- C84 H88 Al2 N2 O10 -","- C168 H176 Al4 N4 O20 -","2","1","","Klitzke, Joice S.; Roisnel, Thierry; Kirillov, Evgeny; Casagrande, Osvaldo de L.; Carpentier, Jean-François","Yttrium‒ and Aluminum‒Bis(phenolate)pyridine Complexes: Catalysts and Model Compounds of the Intermediates for the Stereoselective Ring-Opening Polymerization of Racemic Lactide and β-Butyrolactone","Organometallics","2014","33","1","309","","10.1021/om401047r","","x-ray","0.71073","MoKα","","0.119","0.078","","","0.2223","0.2412","","","","","","1.061","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082526","9.531","0.0006","42.837","0.002","10.6511","0.0007","90","","101.489","0.006","90","","4261.5","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H55 K N2 P2 -","- C49 H55 K N2 P2 -","- C196 H220 K4 N8 P8 -","4","1","","Sindlinger, Christian P.; Stasch, Andreas; Wesemann, Lars","Heavy Group 15 Element Compounds of a Sterically Demanding Bis(iminophosphorane)methanide and -methanediide","Organometallics","2014","33","1","322","","10.1021/om401059x","","","0.71073","MoKα","","0.1058","0.0647","","","0.1329","0.1523","","","","","","1.067","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082527","12.0435","0.0005","17.7779","0.0008","23.38","0.001","90","","104.474","0.001","90","","4847","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","L2BiCl2","","","- C52 H62 Bi Cl2 N2 P2 -","- C52 H62 Bi Cl2 N2 P2 -","- C208 H248 Bi4 Cl8 N8 P8 -","4","1","","Sindlinger, Christian P.; Stasch, Andreas; Wesemann, Lars","Heavy Group 15 Element Compounds of a Sterically Demanding Bis(iminophosphorane)methanide and -methanediide","Organometallics","2014","33","1","322","","10.1021/om401059x","","","0.71073","MoKα","","0.0409","0.0278","","","0.0706","0.0747","","","","","","1.032","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082528","25.579","0.0009","8.9542","0.0003","20.3594","0.0008","90","","110.692","0.002","90","","4362.3","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","LBiCl","","","- C49 H54 Bi Cl N2 P2 -","- C49 H54 Bi Cl N2 P2 -","- C196 H216 Bi4 Cl4 N8 P8 -","4","1","","Sindlinger, Christian P.; Stasch, Andreas; Wesemann, Lars","Heavy Group 15 Element Compounds of a Sterically Demanding Bis(iminophosphorane)methanide and -methanediide","Organometallics","2014","33","1","322","","10.1021/om401059x","","","0.71073","MoKα","","0.0139","0.0131","","","0.0311","0.0313","","","","","","1.03","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082529","8.2162","0.0003","12.5197","0.0004","19.5121","0.0008","90","","93.037","0.004","90","","2004.28","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Br N2 -","- C25 H27 Br N2 -","- C100 H108 Br4 N8 -","4","1","","Valdés, Hugo; Poyatos, Macarena; Peris, Eduardo","A Pyrene-Based N-Heterocyclic Carbene: Study of Its Coordination Chemistry and Stereoelectronic Properties","Organometallics","2014","33","1","394","","10.1021/om401134w","","","0.71073","MoKα","","0.0765","0.0511","","","0.1311","0.1459","","","","","","1.111","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082530","18.20666","0.00012","21.18239","0.00013","21.55681","0.00015","90","","90.7989","0.0006","90","","8312.8","0.09","200","2","199.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C99 H114 Cl3 N6 Rh3 -","- C99 H114 Cl3 N6 Rh3 -","- C396 H456 Cl12 N24 Rh12 -","4","1","","Valdés, Hugo; Poyatos, Macarena; Peris, Eduardo","A Pyrene-Based N-Heterocyclic Carbene: Study of Its Coordination Chemistry and Stereoelectronic Properties","Organometallics","2014","33","1","394","","10.1021/om401134w","","","1.54184","CuKα","","0.072","0.0546","","","0.155","0.1691","","","","","","1.107","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082531","9.3221","0.0003","21.3617","0.0005","14.4693","0.0004","90","","101.674","0.003","90","","2821.76","0.14","200","0.1","200","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 Br Ir N2 -","- C33 H38 Br Ir N2 -","- C132 H152 Br4 Ir4 N8 -","4","1","","Valdés, Hugo; Poyatos, Macarena; Peris, Eduardo","A Pyrene-Based N-Heterocyclic Carbene: Study of Its Coordination Chemistry and Stereoelectronic Properties","Organometallics","2014","33","1","394","","10.1021/om401134w","","","0.7107","MoKα","","0.0598","0.038","","","0.0891","0.1053","","","","","","0.928","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082532","11.898","0.0003","12.2223","0.0004","17.226","0.0004","96.493","0.003","101.866","0.002","118.496","0.003","2088.54","0.13","200.1","0.2","200.1","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H53 Br F6 Ir N2 P Ru -","- C43 H53 Br F6 Ir N2 P Ru -","- C86 H106 Br2 F12 Ir2 N4 P2 Ru2 -","2","1","","Valdés, Hugo; Poyatos, Macarena; Peris, Eduardo","A Pyrene-Based N-Heterocyclic Carbene: Study of Its Coordination Chemistry and Stereoelectronic Properties","Organometallics","2014","33","1","394","","10.1021/om401134w","","","0.7107","MoKα","","0.0753","0.0433","","","0.089","0.1069","","","","","","1.082","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082533","22.4504","0.0008","11.9176","0.0004","15.2004","0.001","90","","124.858","0.001","90","","3337.2","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16.12 H21.23 Al Cl1.38 Ti -","- C16.117 H21.234 Al Cl1.383 Ti -","- C128.936 H169.872 Al8 Cl11.064 Ti8 -","8","1","","Thompson, Rick; Nakamaru-Ogiso, Eiko; Chen, Chun-Hsing; Pink, Maren; Mindiola, Daniel J.","Structural Elucidation of the Illustrious Tebbe Reagent","Organometallics","2014","33","1","429","","10.1021/om401108b","","","0.71073","MoKα","","0.0467","0.0435","","","0.0954","0.0965","","","","","","1.209","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082534","16.509","0.002","16.285","0.002","27.585","0.004","90","","104.985","0.009","90","","7164","1.6","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84.5 H108 Al2 N2 -","- C84.5 H108 Al2 N2 -","- C338 H432 Al8 N8 -","4","1","","Melton, Christopher E.; Dube, Jonathan W.; Ragogna, Paul J.; Fettinger, James C.; Power, Philip P.","Synthesis and Characterization of Primary Aluminum Parent Amides and Phosphides","Organometallics","2014","33","1","329","","10.1021/om4010675","","","0.71073","MoKα","","0.0899","0.0519","","","0.1273","0.1507","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082535","15.3432","0.0008","23.0003","0.0012","26.0164","0.0014","90","","99.378","0.002","90","","9058.4","0.8","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C94.5 H140 Al2 N2 -","- C94.5 H140 Al2 N2 -","- C378 H560 Al8 N8 -","4","1","","Melton, Christopher E.; Dube, Jonathan W.; Ragogna, Paul J.; Fettinger, James C.; Power, Philip P.","Synthesis and Characterization of Primary Aluminum Parent Amides and Phosphides","Organometallics","2014","33","1","329","","10.1021/om4010675","","","1.54178","CuKα","","0.0511","0.0484","","","0.1251","0.1274","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082536","13.728","0.005","21.383","0.007","26.915","0.008","90","","93.253","0.012","90","","7888","5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H75 Al3 P5 -","- C72 H75 Al3 P5 -","- C288 H300 Al12 P20 -","4","1","","Melton, Christopher E.; Dube, Jonathan W.; Ragogna, Paul J.; Fettinger, James C.; Power, Philip P.","Synthesis and Characterization of Primary Aluminum Parent Amides and Phosphides","Organometallics","2014","33","1","329","","10.1021/om4010675","","","0.71073","MoKα","","0.1025","0.0672","","","0.1951","0.2136","","","","","","1.073","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082537","15.531","0.004","22.488","0.006","30.271","0.009","90","","99.427","0.012","90","","10430","5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C110 H126 Al4 P6 -","- C110 H126 Al4 P6 -","- C440 H504 Al16 P24 -","4","1","","Melton, Christopher E.; Dube, Jonathan W.; Ragogna, Paul J.; Fettinger, James C.; Power, Philip P.","Synthesis and Characterization of Primary Aluminum Parent Amides and Phosphides","Organometallics","2014","33","1","329","","10.1021/om4010675","","","0.71073","MoKα","","0.0991","0.0607","","","0.172","0.1899","","","","","","1.046","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082538","10.92","0.0008","14.2254","0.0012","14.675","0.0011","72.231","0.002","70.129","0.002","81.274","0.002","2038.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H43 Cl5 N P Pd -","- C44 H43 Cl5 N P Pd -","- C88 H86 Cl10 N2 P2 Pd2 -","2","1","","Oliva-Madrid, María-José; García-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity toward Neutral N- and P-Donor Ligands of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C Bond of Orthopalladated Homoveratrylamine and Phentermine. A New Example of the Transphobia Effect","Organometallics","2014","33","1","33","","10.1021/om401090b","","","0.71073","MoKα","","0.0263","0.025","","","0.0608","0.0616","","","","","","1.055","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082539","10.1328","0.0009","8.1803","0.0007","31.117","0.003","90","","92.022","0.002","90","","2577.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Br N O2 P Pd -","- C27 H33 Br N O2 P Pd -","- C108 H132 Br4 N4 O8 P4 Pd4 -","4","1","","Oliva-Madrid, María-José; García-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity toward Neutral N- and P-Donor Ligands of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C Bond of Orthopalladated Homoveratrylamine and Phentermine. A New Example of the Transphobia Effect","Organometallics","2014","33","1","33","","10.1021/om401090b","","","0.71073","MoKα","","0.0285","0.0247","","","0.0564","0.0578","","","","","","1.048","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082540","10.6072","0.0008","10.7085","0.0008","22.0851","0.0017","101.848","0.002","94.469","0.002","92.854","0.002","2442.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H29.5 Cl2.5 N2 Pd -","- C25.5 H29.5 Cl2.5 N2 Pd -","- C102 H118 Cl10 N8 Pd4 -","4","2","","Oliva-Madrid, María-José; García-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity toward Neutral N- and P-Donor Ligands of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C Bond of Orthopalladated Homoveratrylamine and Phentermine. A New Example of the Transphobia Effect","Organometallics","2014","33","1","33","","10.1021/om401090b","","","0.71073","MoKα","","0.0242","0.0227","","","0.0559","0.0567","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082541","17.7668","0.0011","17.2559","0.0011","15.062","0.0008","90","","113.482","0.002","90","","4235.3","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C88 H86 Br2 Cl8 N2 O4 P2 Pd2 -","- C88 H86 Br2 Cl8 N2 O4 P2 Pd2 -","- C176 H172 Br4 Cl16 N4 O8 P4 Pd4 -","2","0.5","","Oliva-Madrid, María-José; García-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity toward Neutral N- and P-Donor Ligands of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C Bond of Orthopalladated Homoveratrylamine and Phentermine. A New Example of the Transphobia Effect","Organometallics","2014","33","1","33","","10.1021/om401090b","","","0.71073","highbrilliancemicrofocussealedtubeMoKα","","0.0705","0.0492","","","0.1174","0.1288","","","","","","1.032","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082542","11.919","0.003","14.786","0.003","15.924","0.004","101.505","0.004","91.781","0.004","103.153","0.004","2669.2","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H64 Ge2 N6 Si4 -","- C50 H64 Ge2 N6 Si4 -","- C100 H128 Ge4 N12 Si8 -","2","1","","Leung, Wing-Por; Chiu, Wang-Kin; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(I) Dimer: Synthesis of a Digermahydrazine Derivative and an Iron-Coordinated Germanium(I) Dimer","Organometallics","2014","33","1","225","","10.1021/om4009839","","","0.71073","MoKα","","0.0701","0.0469","","","0.1194","0.1338","","","","","","1.07","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082543","10.1347","0.0004","19.8482","0.0009","24.3732","0.0011","90","","91.713","0.001","90","","4900.6","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Fe Ge2 N4 O4 Si4 -","- C42 H54 Fe Ge2 N4 O4 Si4 -","- C168 H216 Fe4 Ge8 N16 O16 Si16 -","4","1","","Leung, Wing-Por; Chiu, Wang-Kin; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(I) Dimer: Synthesis of a Digermahydrazine Derivative and an Iron-Coordinated Germanium(I) Dimer","Organometallics","2014","33","1","225","","10.1021/om4009839","","","0.71073","MoKα","","0.0641","0.0329","","","0.0696","0.0837","","","","","","1.005","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082544","9.7433","0.0004","10.3665","0.0006","13.7106","0.0007","90","","95.132","0.002","90","","1379.27","0.12","100","2","100","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C30 H32 Cl Li N O2 P S -","- C30 H32 Cl Li N O2 P S -","- C60 H64 Cl2 Li2 N2 O4 P2 S2 -","2","1","","Kupper, Claudia; Molitor, Sebastian; Gessner, Viktoria H.","Structure, Bonding, and Reactivity of Room-Temperature-Stable Lithium Chloride Carbenoids","Organometallics","2014","33","1","347","","10.1021/om4010862","","","0.71073","MoKα","","0.0288","0.0241","","","0.055","0.0567","","","","","","1.054","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082545","9.2712","0.0004","15.4985","0.0007","18.1083","0.0008","90","","103.599","0.001","90","","2529.03","0.19","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Cl Li N O2 P S -","- C26 H30 Cl Li N O2 P S -","- C104 H120 Cl4 Li4 N4 O8 P4 S4 -","4","1","","Kupper, Claudia; Molitor, Sebastian; Gessner, Viktoria H.","Structure, Bonding, and Reactivity of Room-Temperature-Stable Lithium Chloride Carbenoids","Organometallics","2014","33","1","347","","10.1021/om4010862","","","0.71073","MoKα","","0.0322","0.0286","","","0.0743","0.0768","","","","","","1.014","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082546","14.5666","0.0008","22.7231","0.0012","9.8517","0.0005","90","","91.122","0.002","90","","3260.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl N P S -","- C18 H15 Cl N P S -","- C144 H120 Cl8 N8 P8 S8 -","8","2","","Kupper, Claudia; Molitor, Sebastian; Gessner, Viktoria H.","Structure, Bonding, and Reactivity of Room-Temperature-Stable Lithium Chloride Carbenoids","Organometallics","2014","33","1","347","","10.1021/om4010862","","","0.71073","MoKα","","0.0488","0.0478","","","0.1034","0.1038","","","","","","1.097","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082547","9.964","0.0002","16.355","0.0004","22.0192","0.0005","90","","90","","90","","3588.28","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N P S -","- C22 H18 N P S -","- C176 H144 N8 P8 S8 -","8","1","","Kupper, Claudia; Molitor, Sebastian; Gessner, Viktoria H.","Structure, Bonding, and Reactivity of Room-Temperature-Stable Lithium Chloride Carbenoids","Organometallics","2014","33","1","347","","10.1021/om4010862","","","0.71073","MoKα","","0.0432","0.0308","","","0.0724","0.0787","","","","","","1.042","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082548","9.389","0.004","12.602","0.006","15.847","0.007","89.128","0.007","84.821","0.007","76.804","0.007","1818","1.4","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","sjfbk10","","","- C43.5 H41 N O3 Si2 -","- C43.5 H41 N O3 Si2 -","- C87 H82 N2 O6 Si4 -","2","1","","Kraft, Bradley M.; Brennessel, William W.","Chelation and Stereodynamic Equilibria in Neutral Hypercoordinate Organosilicon Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2014","33","1","158","","10.1021/om400907s","","","0.71073","MoKα","","0.1337","0.0544","","","0.1188","0.1538","","","","","","0.947","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082549","13.385","0.002","6.4788","0.0011","11.198","0.002","90","","90","","90","","971.1","0.3","100","0.5","100","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","sjfbk12","","","- C8 H13 N O2 Si -","- C8 H13 N O2 Si -","- C32 H52 N4 O8 Si4 -","4","1","","Kraft, Bradley M.; Brennessel, William W.","Chelation and Stereodynamic Equilibria in Neutral Hypercoordinate Organosilicon Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2014","33","1","158","","10.1021/om400907s","","","0.71073","MoKα","","0.063","0.0484","","","0.096","0.1019","","","","","","1.084","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082550","8.168","0.0011","23.33","0.003","10.3683","0.0014","90","","108.813","0.003","90","","1870.2","0.4","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sjfbk13","","","- C23 H19 N O2 Si -","- C23 H19 N O2 Si -","- C92 H76 N4 O8 Si4 -","4","1","","Kraft, Bradley M.; Brennessel, William W.","Chelation and Stereodynamic Equilibria in Neutral Hypercoordinate Organosilicon Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2014","33","1","158","","10.1021/om400907s","","","0.71073","MoKα","","0.1059","0.0523","","","0.1042","0.1233","","","","","","0.998","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082551","14.0702","0.0015","12.7016","0.0013","7.1877","0.0008","90","","97.958","0.002","90","","1272.2","0.2","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sjfbk05","","","- C12 H14 N2 O4 Si -","- C12 H14 N2 O4 Si -","- C48 H56 N8 O16 Si4 -","4","1","","Kraft, Bradley M.; Brennessel, William W.","Chelation and Stereodynamic Equilibria in Neutral Hypercoordinate Organosilicon Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2014","33","1","158","","10.1021/om400907s","","","0.71073","MoKα","","0.0512","0.0381","","","0.1064","0.1143","","","","","","1.08","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082552","14.8816","0.0011","13.599","0.001","7.5252","0.0005","90","","104.185","0.001","90","","1476.48","0.18","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sjfbk07","","","- C14 H18 N2 O4 Si -","- C14 H18 N2 O4 Si -","- C56 H72 N8 O16 Si4 -","4","1","","Kraft, Bradley M.; Brennessel, William W.","Chelation and Stereodynamic Equilibria in Neutral Hypercoordinate Organosilicon Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2014","33","1","158","","10.1021/om400907s","","","0.71073","MoKα","","0.0531","0.0388","","","0.104","0.1141","","","","","","1.056","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082553","12.8689","0.0009","8.5585","0.0006","30.199","0.002","90","","90","","90","","3326.1","0.4","100","0.5","100","0.5","","","","","","","","5","P b c n","-P 2n 2ab","60","sjfbk26","","","- C16 H22 N2 O4 Si -","- C16 H22 N2 O4 Si -","- C128 H176 N16 O32 Si8 -","8","1","","Kraft, Bradley M.; Brennessel, William W.","Chelation and Stereodynamic Equilibria in Neutral Hypercoordinate Organosilicon Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2014","33","1","158","","10.1021/om400907s","","","0.71073","MoKα","","0.055","0.0398","","","0.1024","0.1104","","","","","","1.077","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082554","15.7183","0.0015","12.804","0.0012","18.5749","0.0018","90","","90","","90","","3738.3","0.6","100","0.5","100","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","sjfbk22","","","- C18 H26 N2 O4 Si -","- C18 H26 N2 O4 Si -","- C144 H208 N16 O32 Si8 -","8","1","","Kraft, Bradley M.; Brennessel, William W.","Chelation and Stereodynamic Equilibria in Neutral Hypercoordinate Organosilicon Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2014","33","1","158","","10.1021/om400907s","","","0.71073","MoKα","","0.0776","0.0427","","","0.0921","0.1073","","","","","","1.013","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082555","8.7514","0.0008","13.7188","0.0012","11.514","0.001","90","","109.501","0.0018","90","","1303.1","0.2","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sjfbk32","","","- C13 H14 N2 O4 Si -","- C13 H14 N2 O4 Si -","- C52 H56 N8 O16 Si4 -","4","1","","Kraft, Bradley M.; Brennessel, William W.","Chelation and Stereodynamic Equilibria in Neutral Hypercoordinate Organosilicon Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2014","33","1","158","","10.1021/om400907s","","","0.71073","MoKα","","0.0454","0.0363","","","0.0992","0.1051","","","","","","1.072","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082556","18.7178","0.0018","8.1478","0.0007","13.7427","0.0013","90","","117.542","0.002","90","","1858.4","0.3","100","0.5","100","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sjfbk11","","","- C22 H18 N2 O4 Si -","- C22 H18 N2 O4 Si -","- C88 H72 N8 O16 Si4 -","4","0.5","","Kraft, Bradley M.; Brennessel, William W.","Chelation and Stereodynamic Equilibria in Neutral Hypercoordinate Organosilicon Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2014","33","1","158","","10.1021/om400907s","","","0.71073","MoKα","","0.0901","0.0465","","","0.088","0.1044","","","","","","1.016","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082557","9.724","0.0009","9.0076","0.0008","11.8792","0.0011","90","","111.875","0.002","90","","965.58","0.15","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sjfbk19","","","- C7 H10 Cl N O2 Si -","- C7 H10 Cl N O2 Si -","- C28 H40 Cl4 N4 O8 Si4 -","4","1","","Kraft, Bradley M.; Brennessel, William W.","Chelation and Stereodynamic Equilibria in Neutral Hypercoordinate Organosilicon Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2014","33","1","158","","10.1021/om400907s","","","0.71073","MoKα","","0.0534","0.0346","","","0.0813","0.0898","","","","","","1.028","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082558","9.21749","0.00008","18.33429","0.00017","10.64812","0.0001","90","","90.5304","0.0008","90","","1799.41","0.03","180.1","","180.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H40 Cl I2 N3 Pd -","- C38 H40 Cl I2 N3 Pd -","- C76 H80 Cl2 I4 N6 Pd2 -","2","1","","Benhamou, Laure; Besnard, Céline; Kündig, E. Peter","Chiral PEPPSI Complexes: Synthesis, Characterization, and Application in Asymmetric Suzuki‒Miyaura Coupling Reactions","Organometallics","2014","33","1","260","","10.1021/om4009982","","","1.5418","CuKα","","0.0273","0.0266","","","0.0706","0.0714","","","","","","0.908","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082559","9.1784","0.0001","18.4176","0.0002","10.7051","0.0001","90","","91.37","0.001","90","","1809.12","0.03","190","0.14","190","0.14","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H42 Cl I2 N3 Pd -","- C38 H42 Cl I2 N3 Pd -","- C76 H84 Cl2 I4 N6 Pd2 -","2","1","","Benhamou, Laure; Besnard, Céline; Kündig, E. Peter","Chiral PEPPSI Complexes: Synthesis, Characterization, and Application in Asymmetric Suzuki‒Miyaura Coupling Reactions","Organometallics","2014","33","1","260","","10.1021/om4009982","","","0.7107","MoKα","","0.0227","0.0202","","","0.0421","0.0434","","","","","","1.036","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082560","10.958","0.003","19.591","0.005","16.703","0.005","90","","101.715","0.006","90","","3511.1","1.7","93","","93","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H34 Au Cl2 F6 N3 O4 S2 -","- C29 H34 Au Cl2 F6 N3 O4 S2 -","- C116 H136 Au4 Cl8 F24 N12 O16 S8 -","4","0.5","","Patrick, Scott R.; Gómez-Suárez, Adrián; Slawin, Alexandra M. Z.; Nolan, Steven P.","New [Au(NHC)(OH)] Complexes for Silver-Free Protocols","Organometallics","2014","33","1","421","","10.1021/om4010065","","","0.71075","MoKα","","","0.0232","","","","0.0377","","","","","","1.031","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082561","10.4506","0.0016","10.5448","0.0016","14.799","0.002","110.697","0.002","99.399","0.002","90.789","0.002","1500.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H60 Cl4 N4 S8 Sn2 -","- C54 H60 Cl4 N4 S8 Sn2 -","- C54 H60 Cl4 N4 S8 Sn2 -","1","0.5","","Torres-Huerta, Aarón; Rodríguez-Molina, Braulio; Höpfl, Herbert; Garcia-Garibay, Miguel A.","Synthesis and Solid-State Characterization of Self-Assembled Macrocyclic Molecular Rotors of Bis(dithiocarbamate) Ligands with Diorganotin(IV)","Organometallics","2014","33","1","354","","10.1021/om401094d","","","0.71073","MoKα","","0.0358","0.0311","","","0.079","0.0824","","","","","","1.047","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082562","10.1","0.002","11.2001","0.0012","15.725","0.002","90","","90","","90","","1778.8","0.5","291.15","","291.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Cl N2 O Pd -","- C20 H15 Cl N2 O Pd -","- C80 H60 Cl4 N8 O4 Pd4 -","4","1","","Wang, Tao; Hao, Xin-Qi; Huang, Juan-Juan; Wang, Kai; Gong, Jun-Fang; Song, Mao-Ping","Chiral CNN Pincer Palladium(II) Complexes with 2-Aryl-6-(oxazolinyl)pyridine Ligands: Synthesis, Characterization, and Application to Enantioselective Allylation of Isatins and Suzuki‒Miyaura Coupling Reaction","Organometallics","2014","33","1","194","","10.1021/om400945d","","","0.7107","MoKα","","0.0311","0.0268","","","0.0486","0.0504","","","","","","1.019","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082563","7.1915","0.0002","21.439","0.0007","12.2763","0.0003","90","","101.495","0.003","90","","1854.78","0.09","291","","291","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H17 Cl N2 O Pd -","- C21 H17 Cl N2 O Pd -","- C84 H68 Cl4 N8 O4 Pd4 -","4","2","","Wang, Tao; Hao, Xin-Qi; Huang, Juan-Juan; Wang, Kai; Gong, Jun-Fang; Song, Mao-Ping","Chiral CNN Pincer Palladium(II) Complexes with 2-Aryl-6-(oxazolinyl)pyridine Ligands: Synthesis, Characterization, and Application to Enantioselective Allylation of Isatins and Suzuki‒Miyaura Coupling Reaction","Organometallics","2014","33","1","194","","10.1021/om400945d","","","0.7107","MoKα","","0.0463","0.0388","","","0.0784","0.0835","","","","","","1.021","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082564","6.0672","0.0006","17.9824","0.0012","12.2022","0.0009","90","","100.61","0.008","90","","1308.53","0.19","291.15","","291.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H33 Cl N2 O Pd -","- C32 H19 Cl N2 O Pd -","- C64 H38 Cl2 N4 O2 Pd2 -","2","1","","Wang, Tao; Hao, Xin-Qi; Huang, Juan-Juan; Wang, Kai; Gong, Jun-Fang; Song, Mao-Ping","Chiral CNN Pincer Palladium(II) Complexes with 2-Aryl-6-(oxazolinyl)pyridine Ligands: Synthesis, Characterization, and Application to Enantioselective Allylation of Isatins and Suzuki‒Miyaura Coupling Reaction","Organometallics","2014","33","1","194","","10.1021/om400945d","","","0.7107","MoKα","","0.0512","0.0442","","","0.1121","0.1186","","","","","","1.063","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082565","12.804","0.0004","13.5812","0.0004","24.3928","0.0005","90","","90","","90","","4241.8","0.2","291","2","291.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24.5 H18 Cl2 N2 O Pd -","- C24.5 H18 Cl2 N2 O Pd -","- C196 H144 Cl16 N16 O8 Pd8 -","8","2","","Wang, Tao; Hao, Xin-Qi; Huang, Juan-Juan; Wang, Kai; Gong, Jun-Fang; Song, Mao-Ping","Chiral CNN Pincer Palladium(II) Complexes with 2-Aryl-6-(oxazolinyl)pyridine Ligands: Synthesis, Characterization, and Application to Enantioselective Allylation of Isatins and Suzuki‒Miyaura Coupling Reaction","Organometallics","2014","33","1","194","","10.1021/om400945d","","","0.7107","MoKα","","0.0702","0.0437","","","0.057","0.0633","","","","","","1.005","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4082566","16.8856","0.001","9.7807","0.0008","18.7204","0.0013","90","","104.089","0.006","90","","2998.7","0.4","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39 Cl Cu F3 N4 O3 S Si -","- C22 H39 Cl Cu F3 N4 O3 S Si -","- C88 H156 Cl4 Cu4 F12 N16 O12 S4 Si4 -","4","1","","Tan, Gengwen; Blom, Burgert; Gallego, Daniel; Driess, Matthias","Facile Access to Mono- and Dinuclear Heteroleptic N-Heterocyclic Silylene Copper Complexes","Organometallics","2014","33","1","363","","10.1021/om4011033","","","0.71073","MoKα","","0.0842","0.0591","","","0.1034","0.1132","","","","","","1.095","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082567","11.3849","0.0005","11.8599","0.0004","12.8308","0.0004","90.57","0.003","96.796","0.003","95.478","0.003","1712.04","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H48 Cu F3 N4 O4 S Si -","- C26 H48 Cu F3 N4 O4 S Si -","- C52 H96 Cu2 F6 N8 O8 S2 Si2 -","2","1","","Tan, Gengwen; Blom, Burgert; Gallego, Daniel; Driess, Matthias","Facile Access to Mono- and Dinuclear Heteroleptic N-Heterocyclic Silylene Copper Complexes","Organometallics","2014","33","1","363","","10.1021/om4011033","","","0.71073","MoKα","","0.0406","0.0323","","","0.0787","0.0819","","","","","","1.03","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082568","10.0327","0.0008","30.6715","0.0015","10.8305","0.0007","90","","106.542","0.007","90","","3194.8","0.4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H45 Cu F3 N5 O3 S Si -","- C24 H45 Cu F3 N5 O3 S Si -","- C96 H180 Cu4 F12 N20 O12 S4 Si4 -","4","1","","Tan, Gengwen; Blom, Burgert; Gallego, Daniel; Driess, Matthias","Facile Access to Mono- and Dinuclear Heteroleptic N-Heterocyclic Silylene Copper Complexes","Organometallics","2014","33","1","363","","10.1021/om4011033","","","0.71073","MoKα","","0.1079","0.0707","","","0.1148","0.1263","","","","","","1.126","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082569","18.2652","0.0006","18.2872","0.0006","22.2926","0.0008","90","","90","","90","","7446.2","0.4","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C62 H92 Cu2 F6 N8 O8 S2 Si4 -","- C62 H92 Cu2 F6 N8 O8 S2 Si4 -","- C248 H368 Cu8 F24 N32 O32 S8 Si16 -","4","0.5","","Tan, Gengwen; Blom, Burgert; Gallego, Daniel; Driess, Matthias","Facile Access to Mono- and Dinuclear Heteroleptic N-Heterocyclic Silylene Copper Complexes","Organometallics","2014","33","1","363","","10.1021/om4011033","","","0.71073","MoKα","","0.0917","0.0708","","","0.141","0.1508","","","","","","1.097","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082570","10.2518","0.0004","15.9857","0.0007","12.0787","0.0005","90","","110.875","0.0013","90","","1849.55","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Cl4 Ru2 -","- C34 H58 Cl4 Ru2 -","- C68 H116 Cl8 Ru4 -","2","0.5","","Shimogawa, Ryuichi; Takao, Toshiro; Suzuki, Hiroharu","Synthesis, Characterization, and Reactions of Ruthenium(II), -(III), and -(IV) Complexes with Sterically Demanding 1,2,4-Tri-tert-butylcyclopentadienyl Ligands","Organometallics","2014","33","1","289","","10.1021/om401035y","","","0.71069","MoKα","","0.0412","0.0378","","","0.0921","0.0944","","","","","","1.028","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082571","10.4522","0.0005","11.1637","0.0007","15.675","0.0007","90","","98.435","0.002","90","","1809.26","0.16","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Cl4 O Ru2 -","- C34 H58 Cl4 O Ru2 -","- C68 H116 Cl8 O2 Ru4 -","2","0.5","","Shimogawa, Ryuichi; Takao, Toshiro; Suzuki, Hiroharu","Synthesis, Characterization, and Reactions of Ruthenium(II), -(III), and -(IV) Complexes with Sterically Demanding 1,2,4-Tri-tert-butylcyclopentadienyl Ligands","Organometallics","2014","33","1","289","","10.1021/om401035y","","","0.71069","MoKα","","0.0296","0.0284","","","0.0675","0.0683","","","","","","1.06","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082572","9.698","0.0004","11.4602","0.0006","16.8913","0.0007","72.395","0.0019","87.659","0.0017","77.222","0.0018","1744.39","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Cl2 Ru2 -","- C34 H58 Cl2 Ru2 -","- C68 H116 Cl4 Ru4 -","2","1","","Shimogawa, Ryuichi; Takao, Toshiro; Suzuki, Hiroharu","Synthesis, Characterization, and Reactions of Ruthenium(II), -(III), and -(IV) Complexes with Sterically Demanding 1,2,4-Tri-tert-butylcyclopentadienyl Ligands","Organometallics","2014","33","1","289","","10.1021/om401035y","","","0.71069","MoKα","","0.0243","0.0206","","","0.0476","0.0494","","","","","","1.022","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082573","10.463","0.0006","12.943","0.0006","14.8352","0.0006","102.582","0.0013","94.727","0.0015","111.392","0.0016","1796.5","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H58 Cl2 O Ru2 -","- C34 H58 Cl2 O Ru2 -","- C68 H116 Cl4 O2 Ru4 -","2","1","","Shimogawa, Ryuichi; Takao, Toshiro; Suzuki, Hiroharu","Synthesis, Characterization, and Reactions of Ruthenium(II), -(III), and -(IV) Complexes with Sterically Demanding 1,2,4-Tri-tert-butylcyclopentadienyl Ligands","Organometallics","2014","33","1","289","","10.1021/om401035y","","","0.71069","MoKα","","0.0586","0.0352","","","0.0769","0.0893","","","","","","1.048","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082574","10.5017","0.0004","13.8218","0.0007","15.4523","0.0008","62.908","0.0013","67.396","0.0014","88.411","0.0014","1813.59","0.15","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Cl3 Ru2 -","- C34 H58 Cl3 Ru2 -","- C68 H116 Cl6 Ru4 -","2","1","","Shimogawa, Ryuichi; Takao, Toshiro; Suzuki, Hiroharu","Synthesis, Characterization, and Reactions of Ruthenium(II), -(III), and -(IV) Complexes with Sterically Demanding 1,2,4-Tri-tert-butylcyclopentadienyl Ligands","Organometallics","2014","33","1","289","","10.1021/om401035y","","","0.71069","MoKα","","0.0485","0.0334","","","0.0655","0.0718","","","","","","1.028","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082575","10.228","0.0005","11.6952","0.0007","14.0881","0.0005","85.216","0.0016","85.104","0.0014","87.385","0.0019","1671.94","0.14","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H62 Ru2 -","- C34 H62 Ru2 -","- C68 H124 Ru4 -","2","1","","Shimogawa, Ryuichi; Takao, Toshiro; Suzuki, Hiroharu","Synthesis, Characterization, and Reactions of Ruthenium(II), -(III), and -(IV) Complexes with Sterically Demanding 1,2,4-Tri-tert-butylcyclopentadienyl Ligands","Organometallics","2014","33","1","289","","10.1021/om401035y","","","0.71069","MoKα","","0.0356","0.0277","","","0.0632","0.0669","","","","","","1.039","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082576","11.0205","0.0005","17.2266","0.0007","17.8346","0.0007","60.418","0.0012","80.629","0.0014","69.743","0.0013","2762.2","0.2","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H46 Ru2 -","- C27 H39 Ru2 -","- C108 H156 Ru8 -","4","2","","Shimogawa, Ryuichi; Takao, Toshiro; Suzuki, Hiroharu","Synthesis, Characterization, and Reactions of Ruthenium(II), -(III), and -(IV) Complexes with Sterically Demanding 1,2,4-Tri-tert-butylcyclopentadienyl Ligands","Organometallics","2014","33","1","289","","10.1021/om401035y","","","0.71069","MoKα","","0.0457","0.0327","","","0.071","0.0762","","","","","","1.038","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082577","10.4817","0.0007","14.8519","0.0009","11.9429","0.0008","90","","101.523","0.0018","90","","1821.7","0.2","123","2","123","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C38 H66 Ru2 -","- C41 H5 Ru2 -","- C82 H10 Ru4 -","2","0.5","","Shimogawa, Ryuichi; Takao, Toshiro; Suzuki, Hiroharu","Synthesis, Characterization, and Reactions of Ruthenium(II), -(III), and -(IV) Complexes with Sterically Demanding 1,2,4-Tri-tert-butylcyclopentadienyl Ligands","Organometallics","2014","33","1","289","","10.1021/om401035y","","","0.71069","MoKα","","0.0629","0.0472","","","0.1259","0.1472","","","","","","1.141","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082578","22.3185","0.0009","10.4295","0.0004","16.4055","0.0008","90","","106.156","0.0013","90","","3667.9","0.3","160","2","160","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H64 Ru2 -","- C38 H40 Ru2 -","- C152 H160 Ru8 -","4","0.5","","Shimogawa, Ryuichi; Takao, Toshiro; Suzuki, Hiroharu","Synthesis, Characterization, and Reactions of Ruthenium(II), -(III), and -(IV) Complexes with Sterically Demanding 1,2,4-Tri-tert-butylcyclopentadienyl Ligands","Organometallics","2014","33","1","289","","10.1021/om401035y","","","0.71069","MoKα","","0.0388","0.0357","","","0.0921","0.0949","","","","","","1.078","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082579","14.55464","0.00018","7.87134","0.00009","14.22468","0.00016","90","","97.631","0.0011","90","","1615.21","0.03","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Ga N2 O -","- C16 H25 Ga N2 O -","- C64 H100 Ga4 N8 O4 -","4","1","","Horeglad, Paweł; Ablialimov, Osman; Szczepaniak, Grzegorz; Dąbrowska, Anna Maria; Dranka, Maciej; Zachara, Janusz","Dialkylgallium Complexes with Alkoxide and Aryloxide Ligands Possessing N-Heterocyclic Carbene Functionalities: Synthesis and Structure","Organometallics","2014","33","1","100","","10.1021/om400863y","","x-ray","0.7107","MoKα","","0.0206","0.0194","","","0.0517","0.0525","","","","","","1.059","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082580","9.11334","0.00007","15.19257","0.00011","16.5202","0.00012","90","","91.9516","0.0007","90","","2285.98","0.03","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Ga2 N2 O -","- C20 H36 Ga2 N2 O -","- C80 H144 Ga8 N8 O4 -","4","1","","Horeglad, Paweł; Ablialimov, Osman; Szczepaniak, Grzegorz; Dąbrowska, Anna Maria; Dranka, Maciej; Zachara, Janusz","Dialkylgallium Complexes with Alkoxide and Aryloxide Ligands Possessing N-Heterocyclic Carbene Functionalities: Synthesis and Structure","Organometallics","2014","33","1","100","","10.1021/om400863y","","x-ray","0.7107","MoKα","","0.019","0.0176","","","0.0473","0.0483","","","","","","1.107","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082581","7.9057","0.0004","8.0823","0.0003","17.5181","0.0005","89.256","0.003","82.908","0.003","61.207","0.004","972.06","0.08","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Ga N2 O -","- C21 H27 Ga N2 O -","- C42 H54 Ga2 N4 O2 -","2","1","","Horeglad, Paweł; Ablialimov, Osman; Szczepaniak, Grzegorz; Dąbrowska, Anna Maria; Dranka, Maciej; Zachara, Janusz","Dialkylgallium Complexes with Alkoxide and Aryloxide Ligands Possessing N-Heterocyclic Carbene Functionalities: Synthesis and Structure","Organometallics","2014","33","1","100","","10.1021/om400863y","","x-ray","0.7107","MoKα","","0.0226","0.021","","","0.0548","0.0559","","","","","","1.035","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082582","13.3098","0.0003","12.4312","0.00019","14.6027","0.0003","90","","111.684","0.002","90","","2245.14","0.08","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Ga N2 O -","- C24 H33 Ga N2 O -","- C96 H132 Ga4 N8 O4 -","4","1","","Horeglad, Paweł; Ablialimov, Osman; Szczepaniak, Grzegorz; Dąbrowska, Anna Maria; Dranka, Maciej; Zachara, Janusz","Dialkylgallium Complexes with Alkoxide and Aryloxide Ligands Possessing N-Heterocyclic Carbene Functionalities: Synthesis and Structure","Organometallics","2014","33","1","100","","10.1021/om400863y","","x-ray","0.7107","MoKα","","0.0347","0.0272","","","0.0638","0.0673","","","","","","1.023","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082583","12.2017","0.0008","13.874","0.0009","13.9308","0.0009","90","","113.816","0.002","90","","2157.5","0.2","100","0.2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Ga N2 O -","- C23 H31 Ga N2 O -","- C92 H124 Ga4 N8 O4 -","4","1","","Horeglad, Paweł; Ablialimov, Osman; Szczepaniak, Grzegorz; Dąbrowska, Anna Maria; Dranka, Maciej; Zachara, Janusz","Dialkylgallium Complexes with Alkoxide and Aryloxide Ligands Possessing N-Heterocyclic Carbene Functionalities: Synthesis and Structure","Organometallics","2014","33","1","100","","10.1021/om400863y","","x-ray","0.71073","MoKα","","0.0295","0.0251","","","0.0624","0.0646","","","","","","1.04","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082584","10.64328","0.00019","17.3159","0.0003","17.6567","0.0003","98.6975","0.0016","103.438","0.0016","106.753","0.0017","2946.32","0.1","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C115 H176 Ga8 N8 O4 -","- C115 H176 Ga8 N8 O4 -","- C115 H176 Ga8 N8 O4 -","1","0.5","","Horeglad, Paweł; Ablialimov, Osman; Szczepaniak, Grzegorz; Dąbrowska, Anna Maria; Dranka, Maciej; Zachara, Janusz","Dialkylgallium Complexes with Alkoxide and Aryloxide Ligands Possessing N-Heterocyclic Carbene Functionalities: Synthesis and Structure","Organometallics","2014","33","1","100","","10.1021/om400863y","","x-ray","0.7107","MoKα","","0.0397","0.0304","","","0.0805","0.0841","","","","","","1.036","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082585","17.6087","0.0004","16.5494","0.0004","15.9289","0.0003","90","","90","","90","","4641.9","0.18","100.15","","100.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H35 Ga N2 -","- C24 H35 Ga N2 -","- C192 H280 Ga8 N16 -","8","2","","Horeglad, Paweł; Ablialimov, Osman; Szczepaniak, Grzegorz; Dąbrowska, Anna Maria; Dranka, Maciej; Zachara, Janusz","Dialkylgallium Complexes with Alkoxide and Aryloxide Ligands Possessing N-Heterocyclic Carbene Functionalities: Synthesis and Structure","Organometallics","2014","33","1","100","","10.1021/om400863y","","x-ray","0.7107","MoKα","","0.0356","0.0269","","","0.0605","0.0647","","","","","","1.054","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082586","8.0068","0.0002","10.704","0.0003","11.5911","0.0003","80.238","0.002","76.925","0.002","81.604","0.002","947.63","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cl N2 O4 -","- C18 H27 Cl N2 O4 -","- C36 H54 Cl2 N4 O8 -","2","1","","Kämpfe, Alexander; Kroke, Edwin; Wagler, Jörg","Silicon Compounds of 1,1-Bis(pyrrol-2-yl)ethenes: Molecular Structures and Chemical and Spectroscopic Properties","Organometallics","2014","33","1","112","","10.1021/om400868w","","","0.71073","MoKα","","0.0655","0.0448","","","0.1168","0.124","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082587","7.5778","0.0003","22.9221","0.0009","10.4225","0.0004","90","","97.37","0.003","90","","1795.42","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27.4 Cl N2 O0.2 -","- C18 H27.4 Cl N2 O0.2 -","- C72 H109.6 Cl4 N8 O0.8 -","4","1","","Kämpfe, Alexander; Kroke, Edwin; Wagler, Jörg","Silicon Compounds of 1,1-Bis(pyrrol-2-yl)ethenes: Molecular Structures and Chemical and Spectroscopic Properties","Organometallics","2014","33","1","112","","10.1021/om400868w","","","0.71073","MoKα","","0.0594","0.0481","","","0.1184","0.1238","","","","","","1.064","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4082588","7.4204","0.0005","8.5964","0.0006","13.1503","0.0009","90","","104.015","0.004","90","","813.87","0.1","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H26 N2 -","- C18 H26 N2 -","- C36 H52 N4 -","2","0.5","","Kämpfe, Alexander; Kroke, Edwin; Wagler, Jörg","Silicon Compounds of 1,1-Bis(pyrrol-2-yl)ethenes: Molecular Structures and Chemical and Spectroscopic Properties","Organometallics","2014","33","1","112","","10.1021/om400868w","","","0.71073","MoKα","","0.0693","0.0392","","","0.0902","0.0994","","","","","","1.019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4082589","8.5496","0.0001","9.9652","0.0002","19.7627","0.0003","95.017","0.001","94.759","0.001","94.594","0.001","1665.04","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H56 Li2 N2 O4 -","- C34 H56 Li2 N2 O4 -","- C68 H112 Li4 N4 O8 -","2","1","","Kämpfe, Alexander; Kroke, Edwin; Wagler, Jörg","Silicon Compounds of 1,1-Bis(pyrrol-2-yl)ethenes: Molecular Structures and Chemical and Spectroscopic Properties","Organometallics","2014","33","1","112","","10.1021/om400868w","","","0.71073","MoKα","","0.069","0.047","","","0.1308","0.1404","","","","","","1.09","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4082590","12.8979","0.0007","8.5767","0.0003","20.6662","0.0011","90","","103.998","0.004","90","","2218.24","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H37 N2 Si -","- C23 H37 N2 Si -","- C92 H148 N8 Si4 -","4","1","","Kämpfe, Alexander; Kroke, Edwin; Wagler, Jörg","Silicon Compounds of 1,1-Bis(pyrrol-2-yl)ethenes: Molecular Structures and Chemical and Spectroscopic Properties","Organometallics","2014","33","1","112","","10.1021/om400868w","","","0.71073","MoKα","","0.0618","0.0391","","","0.0899","0.0978","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082591","8.8127","0.0013","11.9489","0.0013","13.2322","0.0016","82.415","0.009","72.934","0.011","69.504","0.01","1247","0.3","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 N2 Si -","- C30 H34 N2 Si -","- C60 H68 N4 Si2 -","2","1","","Kämpfe, Alexander; Kroke, Edwin; Wagler, Jörg","Silicon Compounds of 1,1-Bis(pyrrol-2-yl)ethenes: Molecular Structures and Chemical and Spectroscopic Properties","Organometallics","2014","33","1","112","","10.1021/om400868w","","","0.71073","MoKα","","0.085","0.0463","","","0.0917","0.1008","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082592","8.9042","0.0003","22.335","0.0011","9.5791","0.0003","90","","90.057","0.003","90","","1905.05","0.13","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 N2 Si -","- C21 H30 N2 Si -","- C84 H120 N8 Si4 -","4","2","","Kämpfe, Alexander; Kroke, Edwin; Wagler, Jörg","Silicon Compounds of 1,1-Bis(pyrrol-2-yl)ethenes: Molecular Structures and Chemical and Spectroscopic Properties","Organometallics","2014","33","1","112","","10.1021/om400868w","","","0.71073","MoKα","","0.0474","0.0396","","","0.0807","0.0844","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082593","27.0503","0.001","5.3654","0.0002","40.6412","0.0014","90","","100.663","0.003","90","","5796.6","0.4","230","2","230","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 N2 Si -","- C21 H30 N2 Si -","- C252 H360 N24 Si12 -","12","3","","Kämpfe, Alexander; Kroke, Edwin; Wagler, Jörg","Silicon Compounds of 1,1-Bis(pyrrol-2-yl)ethenes: Molecular Structures and Chemical and Spectroscopic Properties","Organometallics","2014","33","1","112","","10.1021/om400868w","","","0.71073","MoKα","","0.0831","0.0454","","","0.1102","0.125","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082594","11.97","0.0007","11.2769","0.0005","12.7707","0.0007","90","","117.734","0.004","90","","1525.81","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O6 Si -","- C14 H14 N2 O6 Si -","- C56 H56 N8 O24 Si4 -","4","1","","Kämpfe, Alexander; Kroke, Edwin; Wagler, Jörg","Silicon Compounds of 1,1-Bis(pyrrol-2-yl)ethenes: Molecular Structures and Chemical and Spectroscopic Properties","Organometallics","2014","33","1","112","","10.1021/om400868w","","","0.71073","MoKα","","0.0736","0.0494","","","0.1089","0.1184","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082595","15.665","0.0004","17.2628","0.0005","18.1915","0.0005","97.944","0.002","107.435","0.002","97.891","0.002","4564.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H42 N2 O3 Si -","- C35 H42 N2 O3 Si -","- C210 H252 N12 O18 Si6 -","6","3","","Kämpfe, Alexander; Kroke, Edwin; Wagler, Jörg","Silicon Compounds of 1,1-Bis(pyrrol-2-yl)ethenes: Molecular Structures and Chemical and Spectroscopic Properties","Organometallics","2014","33","1","112","","10.1021/om400868w","","","0.71073","MoKα","","0.0683","0.0486","","","0.1295","0.1388","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4082596","23.701","0.005","14.812","0.003","17.188","0.003","90","","101.649","0.007","90","","5910","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29.5 H40 Cl N3 O Zn -","- C29.5 H40 Cl N3 O Zn -","- C236 H320 Cl8 N24 O8 Zn8 -","8","1","","Rajendran, N. M.; Haleel, A.; Reddy, N. Dastagiri","Copolymerization of CO2and Cyclohexene Oxide: β-Diketiminate-Supported Zn(II)OMe and Zn(II)Et Complexes as Initiators","Organometallics","2014","33","1","217","","10.1021/om400977c","","","0.71073","MoKα","","0.0712","0.0449","","","0.12","0.1432","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082597","12.657","0.002","16.532","0.003","13.768","0.002","90","","116.695","0.01","90","","2573.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 N3 O Zn -","- C27 H35 N3 O Zn -","- C108 H140 N12 O4 Zn4 -","4","1","","Rajendran, N. M.; Haleel, A.; Reddy, N. Dastagiri","Copolymerization of CO2and Cyclohexene Oxide: β-Diketiminate-Supported Zn(II)OMe and Zn(II)Et Complexes as Initiators","Organometallics","2014","33","1","217","","10.1021/om400977c","","","0.71073","MoKα","","0.0607","0.0387","","","0.0993","0.1125","","","","","","1.065","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082598","8.746","0.0009","12.9964","0.0013","13.6586","0.0014","113.64","0.005","98.647","0.005","104.575","0.005","1320","0.2","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 N4 O Zn -","- C28 H34 N4 O Zn -","- C56 H68 N8 O2 Zn2 -","2","1","","Rajendran, N. M.; Haleel, A.; Reddy, N. Dastagiri","Copolymerization of CO2and Cyclohexene Oxide: β-Diketiminate-Supported Zn(II)OMe and Zn(II)Et Complexes as Initiators","Organometallics","2014","33","1","217","","10.1021/om400977c","","","0.71073","MoKα","","0.0667","0.0387","","","0.1031","0.1216","","","","","","1.091","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082599","14.4025","0.0003","12.5471","0.0002","16.5371","0.0003","90","","103.7","0.002","90","","2903.39","0.1","149.7","","149.7","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 N4 -","- C31 H40 N4 -","- C124 H160 N16 -","4","1","","Rajendran, N. M.; Haleel, A.; Reddy, N. Dastagiri","Copolymerization of CO2and Cyclohexene Oxide: β-Diketiminate-Supported Zn(II)OMe and Zn(II)Et Complexes as Initiators","Organometallics","2014","33","1","217","","10.1021/om400977c","","","0.7107","MoKα","","0.0549","0.0435","","","0.107","0.1161","","","","","","1.041","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082600","14.007","0.001","12.008","0.001","15.541","0.001","90","","103.79","0.002","90","","2538.6","0.3","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 B N7 O2 P W -","- C22 H31 B N7 O2 P W -","- C88 H124 B4 N28 O8 P4 W4 -","4","1","","Pienkos, Jared A.; Knisely, Anne T.; Liebov, Benjamin K.; Teran, Victor; Zottig, Victor E.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Tungsten-Mediated Selective Ring Opening of Vinylcyclopropanes","Organometallics","2014","33","1","267","","10.1021/om4010115","","","0.71073","MoKα","","0.039","0.0294","","","0.0709","0.0739","","","","","","1.013","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082601","8.2256","0.0001","11.7447","0.0002","18.6276","0.0003","87.13","","87.567","0.001","85.044","0.001","1789.27","0.05","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C27 H41 B F3 N8 O8 P S W -","- C27 H41 B F3 N8 O8 P S W -","- C54 H82 B2 F6 N16 O16 P2 S2 W2 -","2","1","","Pienkos, Jared A.; Knisely, Anne T.; Liebov, Benjamin K.; Teran, Victor; Zottig, Victor E.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Tungsten-Mediated Selective Ring Opening of Vinylcyclopropanes","Organometallics","2014","33","1","267","","10.1021/om4010115","","","0.71073","MoKα","","0.051","0.0436","","","0.1329","0.1425","","","","","","1.144","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082602","16.245","0.0006","14.5941","0.0005","16.4222","0.0006","90","","91.32","0.001","90","","3892.4","0.2","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C26 H43 B F6 N9 O7 P S2 W -","- C26 H43 B F6 N9 O7 P S2 W -","- C104 H172 B4 F24 N36 O28 P4 S8 W4 -","4","1","","Pienkos, Jared A.; Knisely, Anne T.; Liebov, Benjamin K.; Teran, Victor; Zottig, Victor E.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Tungsten-Mediated Selective Ring Opening of Vinylcyclopropanes","Organometallics","2014","33","1","267","","10.1021/om4010115","","","0.71073","MoKα","","0.0265","0.0238","","","0.0882","0.0916","","","","","","0.991","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082603","13.8651","0.0006","13.5658","0.0003","17.3114","0.0004","90","","95.218","0.001","90","","3242.63","0.17","153","2","153","2","","","","","","","","9","I 1 a 1","I -2ya","9","","","","- C25 H37 B F3 N10 O4 P S W -","- C25 H37 B F3 N10 O4 P S W -","- C100 H148 B4 F12 N40 O16 P4 S4 W4 -","4","1","","Pienkos, Jared A.; Knisely, Anne T.; Liebov, Benjamin K.; Teran, Victor; Zottig, Victor E.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Tungsten-Mediated Selective Ring Opening of Vinylcyclopropanes","Organometallics","2014","33","1","267","","10.1021/om4010115","","","0.71073","MoKα","","0.0215","0.0212","","","0.062","0.0625","","","","","","1.011","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082604","9.997","0.0005","23.0181","0.0011","15.5283","0.0008","90","","107.967","0.001","90","","3399","0.3","153","2","153","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C26 H39 B F3 N10 O4 P S W -","- C26 H39 B F3 N10 O4 P S W -","- C104 H156 B4 F12 N40 O16 P4 S4 W4 -","4","1","","Pienkos, Jared A.; Knisely, Anne T.; Liebov, Benjamin K.; Teran, Victor; Zottig, Victor E.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Tungsten-Mediated Selective Ring Opening of Vinylcyclopropanes","Organometallics","2014","33","1","267","","10.1021/om4010115","","","0.71073","MoKα","","0.0227","0.0209","","","0.0449","0.0454","","","","","","1.222","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082605","15.7152","0.0003","19.7722","0.0004","20.2242","0.0004","90","","90","","90","","6284.1","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C51 H39 N12 O9 Re3 -","- C51 H39 N12 O9 Re3 -","- C204 H156 N48 O36 Re12 -","4","0.5","","Lin, Shih-Ming; Velayudham, Murugesan; Tsai, Chi-Hwe; Chang, Che-Hao; Lee, Chung-Chou; Luo, Tzuoo-Tsair; Thanasekaran, Pounraj; Lu, Kuang-Lieh","A Molecular Triangle as a Precursor Toward the Assembly of a Jar-Shaped Metallasupramolecule","Organometallics","2014","33","1","40","","10.1021/om4005065","","","0.71073","MoKα","","0.1211","0.0625","","","0.1996","0.2349","","","","","","0.993","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082606","7.021","0.0014","19.501","0.004","10.38","0.002","90","","106.1","0.03","90","","1365.5","0.5","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H9 N6 O12 Re3 -","- C21 H9 N6 O12 Re3 -","- C42 H18 N12 O24 Re6 -","2","0.5","","Lin, Shih-Ming; Velayudham, Murugesan; Tsai, Chi-Hwe; Chang, Che-Hao; Lee, Chung-Chou; Luo, Tzuoo-Tsair; Thanasekaran, Pounraj; Lu, Kuang-Lieh","A Molecular Triangle as a Precursor Toward the Assembly of a Jar-Shaped Metallasupramolecule","Organometallics","2014","33","1","40","","10.1021/om4005065","","","0.71073","MoKα","","0.0151","0.0128","","","0.0313","0.0316","","","","","","1.133","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082607","8.4609","0.0014","16.312","0.003","11.9985","0.0019","90","","100.907","0.003","90","","1626","0.5","110","2","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 F3 N2 P Rh -","- C15 H19 F3 N2 P Rh -","- C60 H76 F12 N8 P4 Rh4 -","4","1","","Procacci, Barbara; Blagg, Robin J.; Perutz, Robin N.; Rendón, Nuria; Whitwood, Adrian C.","Photochemical Reactions of Fluorinated Pyridines at Half-Sandwich Rhodium Complexes: Competing Pathways of Reaction.","Organometallics","2014","33","1","45","52","10.1021/om400552r","","","0.71073","MoKα","","0.0398","0.0312","","","0.077","0.0809","","","","","","1.055","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082608","10.014","0.0014","12.8973","0.0017","10.9535","0.0015","90","","90","","90","","1414.7","0.3","115","2","115","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H14 F5 N P Rh -","- C13 H14 F5 N P Rh -","- C52 H56 F20 N4 P4 Rh4 -","4","1","","Procacci, Barbara; Blagg, Robin J.; Perutz, Robin N.; Rendón, Nuria; Whitwood, Adrian C.","Photochemical Reactions of Fluorinated Pyridines at Half-Sandwich Rhodium Complexes: Competing Pathways of Reaction.","Organometallics","2014","33","1","45","52","10.1021/om400552r","","","0.71073","MoKα","","0.0323","0.0307","","","0.0753","0.0766","","","","","","1.044","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082609","10.54836","0.00014","8.63903","0.00011","16.43266","0.00019","90","","106.883","0.0013","90","","1432.93","0.03","110","0.1","110","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 F4 N P Rh -","- C13 H15 F4 N P Rh -","- C52 H60 F16 N4 P4 Rh4 -","4","1","","Procacci, Barbara; Blagg, Robin J.; Perutz, Robin N.; Rendón, Nuria; Whitwood, Adrian C.","Photochemical Reactions of Fluorinated Pyridines at Half-Sandwich Rhodium Complexes: Competing Pathways of Reaction.","Organometallics","2014","33","1","45","52","10.1021/om400552r","","","0.7107","MoKα","","0.0323","0.0255","","","0.056","0.0601","","","","","","1.064","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082610","9.6249","0.0006","21.767","0.0005","8.7272","0.0002","90","","107.464","0.008","90","","1744.12","0.14","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,4-diiodo-1-tris(isopropyl)silylpyrrol","","","- C13 H23 I2 N Si -","- C13 H23 I2 N Si -","- C52 H92 I8 N4 Si4 -","4","1","","Goetsch, Wil R.; Solntsev, Pavlo V.; Van Stappen, Casey; Purchel, Anatolii A.; Dudkin, Semen V.; Nemykin, Victor N.","Electron-Transfer Processes in 3,4-Diferrocenylpyrroles: Insight into a Missing Piece of the Polyferrocenyl-Containing Pyrroles Family","Organometallics","2014","33","1","145","","10.1021/om400901w","","","0.71075","MoKα","","0.0236","0.0211","","","0.0497","0.0506","","","","","","1.133","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082611","7.367","0.0003","12.3067","0.0005","17.1322","0.0012","110.563","0.008","98.491","0.007","94.446","0.007","1424.25","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","3,4-diferrocenyl-1-tris(isopropyl)silylpyrrol","","","- C33 H41 Fe2 N Si -","- C33 H41 Fe2 N Si -","- C66 H82 Fe4 N2 Si2 -","2","1","","Goetsch, Wil R.; Solntsev, Pavlo V.; Van Stappen, Casey; Purchel, Anatolii A.; Dudkin, Semen V.; Nemykin, Victor N.","Electron-Transfer Processes in 3,4-Diferrocenylpyrroles: Insight into a Missing Piece of the Polyferrocenyl-Containing Pyrroles Family","Organometallics","2014","33","1","145","","10.1021/om400901w","","","0.71075","MoKα","","0.0779","0.0555","","","0.1279","0.1408","","","","","","1.09","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082612","10.6624","0.001","16.3329","0.0017","16.944","0.002","108.949","0.008","106.427","0.008","104.233","0.007","2484.6","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","5-hydroxy-3,4-diferrocenyl-2,5-dihydro-1H-pyrrol-2-one","","","- C31 H29 Fe2 N O2 -","- C31 H29 Fe2 N O2 -","- C124 H116 Fe8 N4 O8 -","4","2","","Goetsch, Wil R.; Solntsev, Pavlo V.; Van Stappen, Casey; Purchel, Anatolii A.; Dudkin, Semen V.; Nemykin, Victor N.","Electron-Transfer Processes in 3,4-Diferrocenylpyrroles: Insight into a Missing Piece of the Polyferrocenyl-Containing Pyrroles Family","Organometallics","2014","33","1","145","","10.1021/om400901w","","","0.71075","MoKα","","0.1948","0.0924","","","0.2165","0.2826","","","","","","1.025","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082613","9.4204","0.0001","10.1326","0.0002","16.079","0.0003","92.781","0.001","106.513","0.001","96.699","0.001","1456.06","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H41 Cl2 O P Ru -","- C30 H37 Cl2 O P Ru -","- C60 H74 Cl4 O2 P2 Ru2 -","2","1","","Gowrisankar, Saravanan; Neumann, Helfried; Spannenberg, Anke; Beller, Matthias","Selective Hydrogenation of Ruthenium Acylphosphine Complexes","Organometallics","2014","33","1","94","","10.1021/om4008086","","","0.71073","MoKα","","0.032","0.0255","","","0.0707","0.0753","","","","","","1.077","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082614","14.6405","0.0005","15.2404","0.0005","16.8663","0.0006","94.309","0.002","97.282","0.002","115.195","0.002","3342.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H36.5 Cl6.5 O P Ru -","- C26.5 H36.5 Cl6.5 O P Ru -","- C106 H146 Cl26 O4 P4 Ru4 -","4","2","","Gowrisankar, Saravanan; Neumann, Helfried; Spannenberg, Anke; Beller, Matthias","Selective Hydrogenation of Ruthenium Acylphosphine Complexes","Organometallics","2014","33","1","94","","10.1021/om4008086","","","0.71073","MoKα","","0.0679","0.0533","","","0.1381","0.1474","","","","","","1.1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082615","39.675","0.0007","39.675","0.0007","39.675","0.0007","90","","90","","90","","62452.6","1.9","150","2","150","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C48 H60 K N3 Si -","- C48 H60 K N3 Si -","- C2304 H2880 K48 N144 Si48 -","48","1","","Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele","Dearomatized BIAN Alkaline-Earth Alkyl Catalysts for the Intramolecular Hydroamination of Hindered Aminoalkenes","Organometallics","2014","33","1","206","","10.1021/om400955v","","","0.71073","MoKα","","0.1786","0.1001","","","0.2422","0.2848","","","","","","1.037","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4082616","17.3947","0.0006","18.2532","0.0009","19.0363","0.0009","116.153","0.002","108.911","0.002","91.946","0.002","5020.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H140 Ca N4 O2 Si4 -","- C100 H140 Ca N4 O2 Si4 -","- C200 H280 Ca2 N8 O4 Si8 -","2","1","","Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele","Dearomatized BIAN Alkaline-Earth Alkyl Catalysts for the Intramolecular Hydroamination of Hindered Aminoalkenes","Organometallics","2014","33","1","206","","10.1021/om400955v","","","0.71073","MoKα","","0.2062","0.0955","","","0.2243","0.2908","","","","","","1.026","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082617","13.7376","0.0004","13.7376","0.0004","37.1695","0.0013","90","","90","","120","","6074.9","0.3","150","2","150","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C86 H118 N4 Si4 -","- C86 H118 N4 Si4 -","- C258 H354 N12 Si12 -","3","0.5","","Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele","Dearomatized BIAN Alkaline-Earth Alkyl Catalysts for the Intramolecular Hydroamination of Hindered Aminoalkenes","Organometallics","2014","33","1","206","","10.1021/om400955v","","","0.71073","MoKα","","0.1416","0.0684","","","0.112","0.1325","","","","","","1.015","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082618","24.808","0.003","7.8191","0.0011","11.2324","0.0015","90","","114.943","0.002","90","","1975.6","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H22 Br2 N2 Pt S -","- C19 H22 Br2 N2 Pt S -","- C76 H88 Br8 N8 Pt4 S4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Platinum(II) Complexes with Thioether-Functionalized Benzimidazolin-2-ylidene Ligands: Synthesis, Structural Characterization, and Application in Hydroelementation Reactions","Organometallics","2014","33","1","172","","10.1021/om400929t","","","0.71073","MoKα","","0.0345","0.0331","","","0.0787","0.0794","","","","","","1.033","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082619","10.0593","0.0005","13.9747","0.0007","14.2926","0.0008","90","","110.141","0.001","90","","1886.33","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Br2 N2 Pt S -","- C16 H24 Br2 N2 Pt S -","- C64 H96 Br8 N8 Pt4 S4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Platinum(II) Complexes with Thioether-Functionalized Benzimidazolin-2-ylidene Ligands: Synthesis, Structural Characterization, and Application in Hydroelementation Reactions","Organometallics","2014","33","1","172","","10.1021/om400929t","","","0.71073","MoKα","","0.0349","0.031","","","0.0773","0.0788","","","","","","1.048","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082620","15.1236","0.001","11.4199","0.0008","16.7775","0.0011","90","","113.319","0.001","90","","2660.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Br2 N3 Pt S -","- C27 H29 Br2 N3 Pt S -","- C108 H116 Br8 N12 Pt4 S4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Platinum(II) Complexes with Thioether-Functionalized Benzimidazolin-2-ylidene Ligands: Synthesis, Structural Characterization, and Application in Hydroelementation Reactions","Organometallics","2014","33","1","172","","10.1021/om400929t","","","0.71073","MoKα","","0.0504","0.0388","","","0.0744","0.0787","","","","","","0.971","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082621","11.0917","0.0015","16.445","0.002","11.7723","0.0016","90","","93.702","0.003","90","","2142.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Br2 N2 Pt S -","- C20 H24 Br2 N2 Pt S -","- C80 H96 Br8 N8 Pt4 S4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Platinum(II) Complexes with Thioether-Functionalized Benzimidazolin-2-ylidene Ligands: Synthesis, Structural Characterization, and Application in Hydroelementation Reactions","Organometallics","2014","33","1","172","","10.1021/om400929t","","","0.71073","MoKα","","0.0391","0.0314","","","0.0751","0.087","","","","","","1.088","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082622","9.546","0.0013","12.5982","0.0017","18.517","0.003","90","","97.31","0.003","90","","2208.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H27 Br2 Cl N2 Pt S -","- C17.5 H27 Br2 Cl N2 Pt S -","- C70 H108 Br8 Cl4 N8 Pt4 S4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Platinum(II) Complexes with Thioether-Functionalized Benzimidazolin-2-ylidene Ligands: Synthesis, Structural Characterization, and Application in Hydroelementation Reactions","Organometallics","2014","33","1","172","","10.1021/om400929t","","","0.71073","MoKα","","0.072","0.0627","","","0.123","0.1264","","","","","","1.229","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082623","11.77","0.003","7.9153","0.0018","27.695","0.006","90","","97.538","0.006","90","","2557.9","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Br2 N2 Pt S -","- C26 H28 Br2 N2 Pt S -","- C104 H112 Br8 N8 Pt4 S4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Platinum(II) Complexes with Thioether-Functionalized Benzimidazolin-2-ylidene Ligands: Synthesis, Structural Characterization, and Application in Hydroelementation Reactions","Organometallics","2014","33","1","172","","10.1021/om400929t","","","0.71073","MoKα","","0.0483","0.036","","","0.0809","0.0944","","","","","","1.079","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082624","12.0336","0.0006","13.7908","0.0007","13.9354","0.0007","90","","90","","90","","2312.6","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H24 O4 Ru2 Si2 -","- C20 H24 O4 Ru2 Si2 -","- C80 H96 O16 Ru8 Si8 -","4","0.5","","Zhu, Bolin; Hao, Xiaoting; Chen, Yunfei","Intramolecular C‒H Bond Activation in Bridged Dicyclopentadienyl Dimethyl Dinuclear Complexes","Organometallics","2014","33","1","240","","10.1021/om400986a","","","0.71073","MoKα","","0.028","0.0231","","","0.061","0.0642","","","","","","1.021","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082625","11.9746","0.0017","13.808","0.002","13.4857","0.0019","90","","90","","90","","2229.8","0.6","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H24 Fe2 O4 Si2 -","- C20 H24 Fe2 O4 Si2 -","- C80 H96 Fe8 O16 Si8 -","4","0.5","","Zhu, Bolin; Hao, Xiaoting; Chen, Yunfei","Intramolecular C‒H Bond Activation in Bridged Dicyclopentadienyl Dimethyl Dinuclear Complexes","Organometallics","2014","33","1","240","","10.1021/om400986a","","","0.71073","MoKα","","0.0491","0.0319","","","0.0767","0.0843","","","","","","1.057","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082626","15.045","0.002","9.627","0.002","15.416","0.003","90","","118.336","0.004","90","","1965.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 O3 Ru2 Si2 -","- C18 H20 O3 Ru2 Si2 -","- C72 H80 O12 Ru8 Si8 -","4","0.5","","Zhu, Bolin; Hao, Xiaoting; Chen, Yunfei","Intramolecular C‒H Bond Activation in Bridged Dicyclopentadienyl Dimethyl Dinuclear Complexes","Organometallics","2014","33","1","240","","10.1021/om400986a","","","0.71073","MoKα","","0.0237","0.0201","","","0.0484","0.0503","","","","","","1.022","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082627","7.8109","0.0014","9.1906","0.0016","12.773","0.002","85.242","0.003","77.065","0.003","81.797","0.003","883.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O4 Ru2 -","- C18 H16 O4 Ru2 -","- C36 H32 O8 Ru4 -","2","1","","Zhu, Bolin; Hao, Xiaoting; Chen, Yunfei","Intramolecular C‒H Bond Activation in Bridged Dicyclopentadienyl Dimethyl Dinuclear Complexes","Organometallics","2014","33","1","240","","10.1021/om400986a","","","0.71073","MoKα","","0.0342","0.0269","","","0.0593","0.0625","","","","","","1.038","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082628","15.1689","0.0011","9.5839","0.0007","14.9475","0.0011","90","","118.751","0.001","90","","1905.1","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Fe2 O3 Si2 -","- C18 H20 Fe2 O3 Si2 -","- C72 H80 Fe8 O12 Si8 -","4","0.5","","Zhu, Bolin; Hao, Xiaoting; Chen, Yunfei","Intramolecular C‒H Bond Activation in Bridged Dicyclopentadienyl Dimethyl Dinuclear Complexes","Organometallics","2014","33","1","240","","10.1021/om400986a","","","0.71073","MoKα","","0.0241","0.0224","","","0.0608","0.0621","","","","","","1.076","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082629","7.6979","0.0006","10.4167","0.0009","12.8779","0.0011","108.002","0.001","99.149","0.001","97.601","0.001","951.32","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H40 O8 Ru4 -","- C38 H40 O8 Ru4 -","- C38 H40 O8 Ru4 -","1","0.5","","Zhu, Bolin; Hao, Xiaoting; Chen, Yunfei","Intramolecular C‒H Bond Activation in Bridged Dicyclopentadienyl Dimethyl Dinuclear Complexes","Organometallics","2014","33","1","240","","10.1021/om400986a","","","0.71073","MoKα","","0.0319","0.0255","","","0.065","0.0711","","","","","","1.053","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082630","14.6755","0.0013","13.023","0.0013","12.9947","0.0012","90","","101.586","0.002","90","","2432.9","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 O4 Ru2 Si2 -","- C22 H28 O4 Ru2 Si2 -","- C88 H112 O16 Ru8 Si8 -","4","0.5","","Zhu, Bolin; Hao, Xiaoting; Chen, Yunfei","Intramolecular C‒H Bond Activation in Bridged Dicyclopentadienyl Dimethyl Dinuclear Complexes","Organometallics","2014","33","1","240","","10.1021/om400986a","","","0.71073","MoKα","","0.0209","0.0192","","","0.0458","0.0467","","","","","","1.054","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082631","15.8063","0.0013","8.55","0.0007","15.4134","0.0013","90","","90","","90","","2083","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 O4 Ru2 Si -","- C22 H18 O4 Ru2 Si -","- C88 H72 O16 Ru8 Si4 -","4","1","","Zhu, Bolin; Hao, Xiaoting; Chen, Yunfei","Intramolecular C‒H Bond Activation in Bridged Dicyclopentadienyl Dimethyl Dinuclear Complexes","Organometallics","2014","33","1","240","","10.1021/om400986a","","","0.71073","MoKα","","0.0365","0.0359","","","0.0893","0.09","","","","","","1.092","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082632","13.8325","0.0006","17.2254","0.0007","16.2546","0.0007","90","","102.386","0.001","90","","3782.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H60 O Si9 -","- C22 H60 O Si9 -","- C88 H240 O4 Si36 -","4","1","","Stueger, Harald; Hasken, Bernd; Haas, Michael; Rausch, Martin; Fischer, Roland; Torvisco, Ana","Photoinduced Brook-Type Rearrangement of Acylcyclopolysilanes.","Organometallics","2014","33","1","231","239","10.1021/om4009845","","","0.71073","MoKα","","0.0423","0.0309","","","0.0772","0.0846","","","","","","1.095","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082633","10.2132","0.0002","14.6578","0.0004","15.6476","0.0004","64.473","0.001","82.291","0.002","78.749","0.001","2069.88","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H66 O Si9 -","- C28 H66 O Si9 -","- C56 H132 O2 Si18 -","2","1","","Stueger, Harald; Hasken, Bernd; Haas, Michael; Rausch, Martin; Fischer, Roland; Torvisco, Ana","Photoinduced Brook-Type Rearrangement of Acylcyclopolysilanes.","Organometallics","2014","33","1","231","239","10.1021/om4009845","","","0.71073","MoKα","","0.0623","0.0414","","","0.095","0.1075","","","","","","0.984","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082634","10.6353","0.0005","22.6638","0.0009","17.6854","0.0007","90","","93.846","0.002","90","","4253.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H70 O2 Si9 -","- C29 H70 O2 Si9 -","- C116 H280 O8 Si36 -","4","1","","Stueger, Harald; Hasken, Bernd; Haas, Michael; Rausch, Martin; Fischer, Roland; Torvisco, Ana","Photoinduced Brook-Type Rearrangement of Acylcyclopolysilanes.","Organometallics","2014","33","1","231","239","10.1021/om4009845","","","0.71073","MoKα","","0.0664","0.0567","","","0.1526","0.1639","","","","","","1.021","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082635","9.5421","0.0006","12.289","0.0008","17.355","0.0011","97.377","0.003","99.925","0.003","99.497","0.003","1951.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H64 O2 Si9 -","- C23 H64 O2 Si9 -","- C46 H128 O4 Si18 -","2","1","","Stueger, Harald; Hasken, Bernd; Haas, Michael; Rausch, Martin; Fischer, Roland; Torvisco, Ana","Photoinduced Brook-Type Rearrangement of Acylcyclopolysilanes.","Organometallics","2014","33","1","231","239","10.1021/om4009845","","","0.71073","MoKα","","0.0496","0.0392","","","0.1014","0.1094","","","","","","1.049","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082636","10.3156","0.0004","11.6125","0.0005","19.9069","0.0007","84.182","0.002","75.753","0.002","67.731","0.001","2138.83","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H70 O2 Si9 -","- C29 H70 O2 Si9 -","- C58 H140 O4 Si18 -","2","1","","Stueger, Harald; Hasken, Bernd; Haas, Michael; Rausch, Martin; Fischer, Roland; Torvisco, Ana","Photoinduced Brook-Type Rearrangement of Acylcyclopolysilanes.","Organometallics","2014","33","1","231","239","10.1021/om4009845","","","0.71073","MoKα","","0.0642","0.056","","","0.1501","0.1603","","","","","","1.038","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082637","9.5002","0.0014","10.951","0.0016","14.875","0.002","95.114","0.002","102.769","0.002","112.225","0.002","1371.3","0.3","172","2","172","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H46 Sn2 -","- C26 H46 Sn2 -","- C52 H92 Sn4 -","2","1","","Arnold, Thomas; Braunschweig, Holger; Damme, Alexander; Krummenacher, Ivo; Radacki, Krzysztof","Synthesis and Structure of Group IV Distanna[2]metallocenophanes","Organometallics","2014","33","1","254","","10.1021/om400993g","","","0.71073","MoKα","","0.0224","0.0187","","","0.0456","0.0477","","","","","","1.063","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082638","15.7224","0.0012","9.0672","0.0007","20.1787","0.0015","90","","94.304","0.002","90","","2868.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Cl2 Sn2 Ti -","- C26 H44 Cl2 Sn2 Ti -","- C104 H176 Cl8 Sn8 Ti4 -","4","1","","Arnold, Thomas; Braunschweig, Holger; Damme, Alexander; Krummenacher, Ivo; Radacki, Krzysztof","Synthesis and Structure of Group IV Distanna[2]metallocenophanes","Organometallics","2014","33","1","254","","10.1021/om400993g","","","0.71073","MoKα","","0.021","0.017","","","0.0394","0.0421","","","","","","1.102","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082639","15.8712","0.0011","11.8195","0.0008","15.9744","0.0011","90","","107.472","0.002","90","","2858.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Cl Sn2 Ti -","- C26 H44 Cl Sn2 Ti -","- C104 H176 Cl4 Sn8 Ti4 -","4","1","","Arnold, Thomas; Braunschweig, Holger; Damme, Alexander; Krummenacher, Ivo; Radacki, Krzysztof","Synthesis and Structure of Group IV Distanna[2]metallocenophanes","Organometallics","2014","33","1","254","","10.1021/om400993g","","","0.71073","MoKα","","0.0209","0.0166","","","0.0368","0.0386","","","","","","1.035","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082640","15.8596","0.0007","9.1144","0.0004","20.3891","0.0009","90","","94.04","0.001","90","","2939.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Cl2 Sn2 Zr -","- C26 H44 Cl2 Sn2 Zr -","- C104 H176 Cl8 Sn8 Zr4 -","4","1","","Arnold, Thomas; Braunschweig, Holger; Damme, Alexander; Krummenacher, Ivo; Radacki, Krzysztof","Synthesis and Structure of Group IV Distanna[2]metallocenophanes","Organometallics","2014","33","1","254","","10.1021/om400993g","","","0.71073","MoKα","","0.0195","0.018","","","0.0475","0.0484","","","","","","1.09","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082641","15.8316","0.0019","9.1074","0.0011","20.385","0.003","90","","94.048","0.004","90","","2931.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Cl2 Hf Sn2 -","- C26 H44 Cl2 Hf Sn2 -","- C104 H176 Cl8 Hf4 Sn8 -","4","1","","Arnold, Thomas; Braunschweig, Holger; Damme, Alexander; Krummenacher, Ivo; Radacki, Krzysztof","Synthesis and Structure of Group IV Distanna[2]metallocenophanes","Organometallics","2014","33","1","254","","10.1021/om400993g","","","0.71073","MoKα","","0.0297","0.0238","","","0.0536","0.0561","","","","","","1.028","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082642","9.3192","0.0012","10.6453","0.0014","10.8679","0.0014","108.651","0.004","111.833","0.003","99.462","0.004","897.7","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 N O2 Ru -","- C22 H25 N O2 Ru -","- C44 H50 N2 O4 Ru2 -","2","1","","Ogiwara, Yohei; Tamura, Masaru; Kochi, Takuya; Matsuura, Yusuke; Chatani, Naoto; Kakiuchi, Fumitoshi","Ruthenium-Catalyzed Ortho-Selective C‒H Alkenylation of Aromatic Compounds with Alkenyl Esters and Ethers","Organometallics","2014","33","1","402","","10.1021/om401204h","","","0.71075","MoKα","","0.0327","0.0306","","","0.0837","0.0906","","","","","","1.26","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082643","9.3382","0.0009","10.7006","0.0011","16.4644","0.0015","74.606","0.002","74.799","0.003","71.863","0.003","1478.1","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H34 N2 O2 Ru -","- C37.5 H34 N2 O2 Ru -","- C75 H68 N4 O4 Ru2 -","2","1","","Ogiwara, Yohei; Tamura, Masaru; Kochi, Takuya; Matsuura, Yusuke; Chatani, Naoto; Kakiuchi, Fumitoshi","Ruthenium-Catalyzed Ortho-Selective C‒H Alkenylation of Aromatic Compounds with Alkenyl Esters and Ethers","Organometallics","2014","33","1","402","","10.1021/om401204h","","","0.71075","MoKα","","0.0582","0.0419","","","0.0871","0.101","","","","","","1.118","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082644","29.236","0.002","14.2862","0.0008","12.2213","0.0007","90","","90","","90","","5104.5","0.5","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H47 Cl4 N4 P2 Ru -","- C57 H47 Cl4 N4 P2 Ru -","- C228 H188 Cl16 N16 P8 Ru4 -","4","1","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Reactions of [RuCl2(PPh3)3] with Nitron and with the “Enders Carbene”: Access to Ruthenium(III) NHC Complexes","Organometallics","2014","33","1","425","","10.1021/om401058e","","","0.71073","MoKα","","0.0984","0.056","","","0.1165","0.1342","","","","","","0.895","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082645","13.6869","0.001","10.0088","0.0006","14.2901","0.0011","90","","97.194","0.006","90","","1942.2","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cl N4 O -","- C21 H21 Cl N4 O -","- C84 H84 Cl4 N16 O4 -","4","1","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Reactions of [RuCl2(PPh3)3] with Nitron and with the “Enders Carbene”: Access to Ruthenium(III) NHC Complexes","Organometallics","2014","33","1","425","","10.1021/om401058e","","","0.71073","MoKα","","0.0537","0.0317","","","0.0644","0.0691","","","","","","0.892","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082646","28.594","0.002","15.4001","0.001","12.3532","0.0007","90","","90","","90","","5439.7","0.6","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H44 Cl2 N3 P2 Ru -","- C56 H44 Cl2 N3 P2 Ru -","- C224 H176 Cl8 N12 P8 Ru4 -","4","1","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Reactions of [RuCl2(PPh3)3] with Nitron and with the “Enders Carbene”: Access to Ruthenium(III) NHC Complexes","Organometallics","2014","33","1","425","","10.1021/om401058e","","","0.71073","MoKα","","0.1244","0.0656","","","0.1333","0.1506","","","","","","0.786","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082647","23.5798","0.0012","14.0799","0.0006","30.438","0.0015","90","","101.877","0.004","90","","9889.1","0.8","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C119 H96 Cl2 N6 P4 Ru2 -","- C119 H96 Cl2 N6 P4 Ru2 -","- C476 H384 Cl8 N24 P16 Ru8 -","4","0.5","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Reactions of [RuCl2(PPh3)3] with Nitron and with the “Enders Carbene”: Access to Ruthenium(III) NHC Complexes","Organometallics","2014","33","1","425","","10.1021/om401058e","","","0.71073","MoKα","","0.0506","0.0279","","","0.0524","0.0554","","","","","","0.812","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082648","10.8334","0.0011","12.99","0.0013","16.6442","0.0018","93.013","0.008","91.987","0.008","99.918","0.008","2301.8","0.4","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H45 Cl N4 P2 Ru -","- C56 H45 Cl N4 P2 Ru -","- C112 H90 Cl2 N8 P4 Ru2 -","2","1","","Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Reactions of [RuCl2(PPh3)3] with Nitron and with the “Enders Carbene”: Access to Ruthenium(III) NHC Complexes","Organometallics","2014","33","1","425","","10.1021/om401058e","","","0.71073","MoKα","","0.0565","0.037","","","0.0915","0.0959","","","","","","1.004","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082649","9.514","0.0003","11.3419","0.0003","23.2264","0.0007","93.395","0.002","96.178","0.002","114.077","0.002","2260.22","0.12","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H53 Al F2 P2 -","- C54 H53 Al F2 P2 -","- C108 H106 Al2 F4 P4 -","2","1","","Uhl, Werner; Appelt, Christian; Backs, Jana; Westenberg, Hauke; Wollschläger, Agnes; Tannert, Jens","Al/P-Based Frustrated Lewis Pairs: Limitations of Their Synthesis by Hydroalumination and Formation of Dialkylaluminum Hydride Adducts","Organometallics","2014","33","5","1212","","10.1021/om4012246","","","1.54184","CuKα","","0.0991","0.0872","","","0.2152","0.2225","","","","","","1.42","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082650","10.4489","0.0004","11.5051","0.0004","19.7216","0.0008","99.739","0.001","93.186","0.001","97.84","0.001","2307.31","0.15","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H69 Al2 F2 P -","- C48 H69 Al2 F2 P -","- C96 H138 Al4 F4 P2 -","2","1","","Uhl, Werner; Appelt, Christian; Backs, Jana; Westenberg, Hauke; Wollschläger, Agnes; Tannert, Jens","Al/P-Based Frustrated Lewis Pairs: Limitations of Their Synthesis by Hydroalumination and Formation of Dialkylaluminum Hydride Adducts","Organometallics","2014","33","5","1212","","10.1021/om4012246","","","0.71073","MoKα","","0.0694","0.0536","","","0.1383","0.1493","","","","","","1.037","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082651","11.3168","0.0002","17.7183","0.0003","22.2271","0.0003","110.573","0.001","102.203","0.001","94.393","0.001","4022.52","0.12","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H61 Al2 P -","- C40 H61 Al2 P -","- C160 H244 Al8 P4 -","4","2","","Uhl, Werner; Appelt, Christian; Backs, Jana; Westenberg, Hauke; Wollschläger, Agnes; Tannert, Jens","Al/P-Based Frustrated Lewis Pairs: Limitations of Their Synthesis by Hydroalumination and Formation of Dialkylaluminum Hydride Adducts","Organometallics","2014","33","5","1212","","10.1021/om4012246","","","1.54178","CuKα","","0.0624","0.0541","","","0.1346","0.1417","","","","","","1.03","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082652","9.5503","0.0013","10.2243","0.0014","16.075","0.002","73.34","0.004","86.441","0.004","75.193","0.004","1453.7","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H41 Al2 P -","- C30 H41 Al2 P -","- C60 H82 Al4 P2 -","2","1","","Uhl, Werner; Appelt, Christian; Backs, Jana; Westenberg, Hauke; Wollschläger, Agnes; Tannert, Jens","Al/P-Based Frustrated Lewis Pairs: Limitations of Their Synthesis by Hydroalumination and Formation of Dialkylaluminum Hydride Adducts","Organometallics","2014","33","5","1212","","10.1021/om4012246","","","0.71073","MoKα","","0.1016","0.0761","","","0.1773","0.1941","","","","","","1.107","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082653","21.2253","0.001","9.9253","0.0005","21.5593","0.0011","90","","113.127","0.001","90","","4176.8","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H49 Al2 P -","- C50 H49 Al2 P -","- C200 H196 Al8 P4 -","4","1","","Uhl, Werner; Appelt, Christian; Backs, Jana; Westenberg, Hauke; Wollschläger, Agnes; Tannert, Jens","Al/P-Based Frustrated Lewis Pairs: Limitations of Their Synthesis by Hydroalumination and Formation of Dialkylaluminum Hydride Adducts","Organometallics","2014","33","5","1212","","10.1021/om4012246","","","0.71073","MoKα","","0.068","0.0489","","","0.1231","0.1346","","","","","","1.039","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082654","8.3581","0.0017","13.855","0.003","23.624","0.005","90","","92.49","0.03","90","","2733.1","1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 F6 N6 P Ru -","- C26 H23 F6 N6 P Ru -","- C104 H92 F24 N24 P4 Ru4 -","4","1","","Peña, Bruno; David, Amanda; Pavani, Christiane; Baptista, Mauricio S.; Pellois, Jean-Philippe; Turro, Claudia; Dunbar, Kim R.","Cytotoxicity Studies of Cyclometallated Ruthenium(II) Compounds: New Applications for Ruthenium Dyes","Organometallics","2014","33","5","1100","","10.1021/om500001h","","","0.71073","MoKα","","0.0526","0.0441","","","0.1054","0.1167","","","","","","1.112","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082655","47.073","0.009","7.9141","0.0016","22.064","0.004","90","","104.83","0.03","90","","7946","3","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 F6 N6 O4 P Ru -","- C36 H29 F6 N6 O4 P Ru -","- C288 H232 F48 N48 O32 P8 Ru8 -","8","1","","Peña, Bruno; David, Amanda; Pavani, Christiane; Baptista, Mauricio S.; Pellois, Jean-Philippe; Turro, Claudia; Dunbar, Kim R.","Cytotoxicity Studies of Cyclometallated Ruthenium(II) Compounds: New Applications for Ruthenium Dyes","Organometallics","2014","33","5","1100","","10.1021/om500001h","","","0.71073","MoKα","","0.0757","0.0471","","","0.1062","0.1171","","","","","","1.045","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082656","10.764","0.0007","15.7212","0.0011","11.9089","0.0008","90","","109.485","0.007","90","","1899.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2-ferrocenyl)cyclopenta[l]phenanthrene","","- C27 H20 Fe -","- C27 H20 Fe -","- C108 H80 Fe4 -","4","1","","Donoli, Alessandro; Bisello, Annalisa; Cardena, Roberta; Prinzivalli, Cristina; Crisma, Marco; Santi, Saverio","Charge Transfer Properties in Cyclopenta[l]phenanthrene Ferrocenyl Complexes","Organometallics","2014","33","5","1135","","10.1021/om4009668","","","0.71069","MoKα","","0.0993","0.0493","","","0.0849","0.1082","","","","","","0.897","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082657","9.8052","0.0003","17.1425","0.0009","20.6867","0.0007","65.67","0.004","81.678","0.003","80.081","0.003","3110.4","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(/h^5^-cyclopenta[l]phenanthrenyl)FeCp","","- C22 H16 Fe -","- C22 H16 Fe -","- C176 H128 Fe8 -","8","4","","Donoli, Alessandro; Bisello, Annalisa; Cardena, Roberta; Prinzivalli, Cristina; Crisma, Marco; Santi, Saverio","Charge Transfer Properties in Cyclopenta[l]phenanthrene Ferrocenyl Complexes","Organometallics","2014","33","5","1135","","10.1021/om4009668","","","0.71069","MoKα","","0.1122","0.0723","","","0.1869","0.205","","","","","","1.045","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082658","11.195","0.0011","21.56","0.002","19.656","0.002","90","","91.595","0.006","90","","4742.4","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","13227a","","","- C54 H58 B Cr N O5 P2 -","- C54 H58 B Cr N O5 P2 -","- C216 H232 B4 Cr4 N4 O20 P8 -","4","1","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","1.54178","CuKα","","0.0607","0.0545","","","0.1486","0.1547","","","","","","1.043","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082659","15.6347","0.0019","11.5355","0.0014","24.918","0.003","90","","105.483","0.002","90","","4331","0.9","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","10105a","","","- C50 H50 B Mo N O4 P2 -","- C50 H50 B Mo N O4 P2 -","- C200 H200 B4 Mo4 N4 O16 P8 -","4","1","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","0.71073","MoKα","","0.0507","0.0347","","","0.0788","0.0869","","","","","","1.079","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082660","11.2765","0.0017","21.676","0.003","19.62","0.003","90","","91.473","0.002","90","","4794.1","1.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","10116c","","","- C54 H58 B N O5 P2 W -","- C54 H58 B N O5 P2 W -","- C216 H232 B4 N4 O20 P8 W4 -","4","1","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","0.71073","MoKα","","0.0614","0.0411","","","0.0725","0.0783","","","","","","1.054","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082661","11.455","0.0015","13.2465","0.0017","28.865","0.004","90","","90","","90","","4379.9","1","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","10121a","","","- C51 H53 B Cr N2 O3 P2 -","- C51 H53 B Cr N2 O3 P2 -","- C204 H212 B4 Cr4 N8 O12 P8 -","4","1","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","0.71073","MoKα","","0.0475","0.0394","","","0.0982","0.1038","","","","","","1.097","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082662","12.3319","0.0012","20.3638","0.0019","20.1671","0.0019","90","","96.349","0.001","90","","5033.4","0.8","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","10095a","","","- C56 H63 B Mo N2 O4 P2 -","- C56 H63 B Mo N2 O4 P2 -","- C224 H252 B4 Mo4 N8 O16 P8 -","4","1","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","0.71073","MoKα","","0.0584","0.0363","","","0.0764","0.0862","","","","","","1.055","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082663","12.319","0.002","20.449","0.003","20.246","0.003","90","","96.818","0.002","90","","5064.1","1.3","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","10113a","","","- C56 H63 B N2 O4 P2 W -","- C56 H63 B N2 O4 P2 W -","- C224 H252 B4 N8 O16 P8 W4 -","4","1","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","0.71073","MoKα","","0.0708","0.0439","","","0.0743","0.0803","","","","","","1.078","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082664","10.9079","0.0005","13.0592","0.0005","16.4818","0.0007","90","","107.951","0.003","90","","2233.52","0.17","148","2","148","2","","","","","","","","8","P 1 21 1","P 2yb","4","13145a","","","- C49 H50 B Mo N O5 P2 S -","- C49 H50 B Mo N O5 P2 S -","- C98 H100 B2 Mo2 N2 O10 P4 S2 -","2","1","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","1.54178","CuKα","","0.0663","0.056","","","0.13","0.1365","","","","","","1.043","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082665","10.961","0.004","13.067","0.005","16.442","0.006","90","","107.877","0.004","90","","2241.2","1.4","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","13140zz","","","- C49 H50 B N O5 P2 S W -","- C49 H50 B N O5 P2 S W -","- C98 H100 B2 N2 O10 P4 S2 W2 -","2","1","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","0.71073","MoKα","","0.0503","0.0427","","","0.0825","0.0859","","","","","","0.986","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082666","10.609","0.0008","21.9068","0.0017","23.829","0.002","98.98","0.005","100.774","0.005","91.935","0.005","5362.5","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","13249e","","","- C60 H69 B Mo N2 O4 P2 -","- C56 H61 B Mo N2 O3 P2 -","- C224 H244 B4 Mo4 N8 O12 P8 -","4","2","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","1.54178","CuKα","","0.0605","0.0451","","","0.1125","0.1191","","","","","","1.053","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082667","10.5921","0.0008","21.9068","0.0018","23.777","0.002","98.694","0.006","100.827","0.006","91.878","0.006","5346.1","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","13248e","","","- C60 H69 B N2 O4 P2 W -","- C56 H61 B N2 O3 P2 W -","- C224 H244 B4 N8 O12 P8 W4 -","4","2","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","1.54178","CuKα","","0.0556","0.0374","","","0.0858","0.0913","","","","","","1.051","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082668","12.6111","0.0003","16.9866","0.0006","23.054","0.0007","90","","96.124","0.002","90","","4910.4","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","13181a","","","- C56 H54 B Mo N3 O5 P2 -","- C56 H54 B Mo N3 O5 P2 -","- C224 H216 B4 Mo4 N12 O20 P8 -","4","1","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","1.54178","CuKα","","0.1101","0.0715","","","0.1594","0.1789","","","","","","1.047","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082669","10.124","0.004","24.321","0.01","21.222","0.009","90","","96.038","0.005","90","","5196","4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","14005z","","","- C58 H57 B N4 O5 P2 W -","- C58 H57 B N4 O5 P2 W -","- C232 H228 B4 N16 O20 P8 W4 -","4","1","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","0.71073","MoKα","","0.0722","0.0655","","","0.1451","0.148","","","","","","1.216","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082670","13.7468","0.0013","19.4959","0.0018","20.5752","0.0019","90","","106.177","0.001","90","","5295.9","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","13169a","","","- C60 H64 B Mo N3 O4 P2 -","- C60 H64 B Mo N3 O4 P2 -","- C240 H256 B4 Mo4 N12 O16 P8 -","4","1","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","0.71073","MoKα","","0.0936","0.0532","","","0.117","0.1382","","","","","","1.033","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082671","10.6498","0.0016","14.516","0.002","16.763","0.003","87.242","0.002","81.979","0.002","82.826","0.002","2544.8","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","13171d","","","- C56 H64 B Mo N3 O4 P2 -","- C56 H64 B Mo N3 O4 P2 -","- C112 H128 B2 Mo2 N6 O8 P4 -","2","1","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","0.71073","MoKα","","0.0954","0.0604","","","0.1082","0.1223","","","","","","1.024","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082672","17.8882","0.001","17.4006","0.0009","21.2984","0.0012","90","","104.101","0.003","90","","6429.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C81 H76 Mo P4 -","- C81 H76 Mo P4 -","- C324 H304 Mo4 P16 -","4","1","","Ning, Yalan; .Froese, Robert D. J; Margl, Peter; Lee, Edward L.; Nguyen, SonBinh T.; Peterson, Thomas H.; Wagner, Nicole; Stern, Charlotte L.; Sarjeant, Amy A.","Efficient Carbene and Carbyne Formation in Molybdenum(0) and Tungsten(0) Dinitrogen Complexes","Organometallics","2014","33","5","1120","","10.1021/om4006214","","","0.71073","MoKα","","0.0925","0.0484","","","0.1121","0.1263","","","","","","0.969","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082673","17.855","0.0006","17.3976","0.0006","21.332","0.0007","90","","104.143","0.001","90","","6425.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C81 H76 P4 W -","- C81 H76 P4 W -","- C324 H304 P16 W4 -","4","1","","Ning, Yalan; .Froese, Robert D. J; Margl, Peter; Lee, Edward L.; Nguyen, SonBinh T.; Peterson, Thomas H.; Wagner, Nicole; Stern, Charlotte L.; Sarjeant, Amy A.","Efficient Carbene and Carbyne Formation in Molybdenum(0) and Tungsten(0) Dinitrogen Complexes","Organometallics","2014","33","5","1120","","10.1021/om4006214","","","0.71073","MoKα","","0.0414","0.0316","","","0.0831","0.0878","","","","","","1.098","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082674","10.088","0.004","11.551","0.004","13.393","0.005","90.462","0.004","109.401","0.005","92.203","0.004","1470.6","1","199","","199","","","","","","","","","5","P -1","-P 1","2","","","","- C21.5 H47.5 O P4 Ru -","- C21.25 H44 O P4 Ru -","- C42.5 H88 O2 P8 Ru2 -","2","1","","Hirano, Masafumi; Yanagisawa, Yasuto; Mulyadi, Endin; Komine, Nobuyuki; Komiya, Sanshiro","Multiple C–H Bond Cleavage of the Alkyl Group in (2,6-Dialkylphenoxo)ruthenium(II) Complexes","Organometallics","2014","33","5","1235","","10.1021/om5000248","","","0.71075","MoKα","","","0.0546","","","","0.176","","","","","","1.079","","","","has coordinates","275197","2022-05-07","03:15:01",""
"4082675","10.4676","0.0016","15.184","0.002","17.564","0.003","90","","106.491","0.002","90","","2676.8","0.7","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H46 O P4 Ru -","- C21 H46 O P4 Ru -","- C84 H184 O4 P16 Ru4 -","4","1","","Hirano, Masafumi; Yanagisawa, Yasuto; Mulyadi, Endin; Komine, Nobuyuki; Komiya, Sanshiro","Multiple C‒H Bond Cleavage of the Alkyl Group in (2,6-Dialkylphenoxo)ruthenium(II) Complexes","Organometallics","2014","33","5","1235","","10.1021/om5000248","","","0.71075","MoK?","","","0.0247","","","","0.0668","","","","","","0.612","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082676","9.4464","0.0012","16.19","0.003","20.394","0.003","90","","92.4931","0.0015","90","","3116","0.8","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H53 O P4 Ru -","- C23.5 H46 O P4 Ru -","- C94 H184 O4 P16 Ru4 -","4","1","","Hirano, Masafumi; Yanagisawa, Yasuto; Mulyadi, Endin; Komine, Nobuyuki; Komiya, Sanshiro","Multiple C‒H Bond Cleavage of the Alkyl Group in (2,6-Dialkylphenoxo)ruthenium(II) Complexes","Organometallics","2014","33","5","1235","","10.1021/om5000248","","","0.71075","MoK?","","","0.0595","","","","0.1615","","","","","","1.161","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082677","12.598","0.011","14.207","0.011","16.743","0.014","75.16","0.04","75.52","0.04","64.48","0.03","2580","4","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H42.5 O P3 Ru -","- C19.75 H39 O P3 Ru -","- C79 H156 O4 P12 Ru4 -","4","2","","Hirano, Masafumi; Yanagisawa, Yasuto; Mulyadi, Endin; Komine, Nobuyuki; Komiya, Sanshiro","Multiple C–H Bond Cleavage of the Alkyl Group in (2,6-Dialkylphenoxo)ruthenium(II) Complexes","Organometallics","2014","33","5","1235","","10.1021/om5000248","","","0.71075","MoKα","","","0.0811","","","","0.2639","","","","","","1.019","","","","has coordinates","275197","2022-05-07","03:15:01",""
"4082678","7.2672","0.0006","10.1847","0.0005","14.904","0.0013","90","","103.828","0.007","90","","1071.14","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 B2 Br2 O4 -","- C18 H26 B2 Br2 O4 -","- C36 H52 B4 Br4 O8 -","2","0.5","","Seven, Ömer; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","High-Yield Syntheses and Reactivity Studies of 1,2-Diborylated and 1,2,4,5-Tetraborylated Benzenes","Organometallics","2014","33","5","1291","","10.1021/om500104w","","","0.71073","MoKα","","0.0558","0.0502","","","0.1318","0.1361","","","","","","1.049","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082679","13.0861","0.0005","14.1072","0.0006","19.0168","0.0009","90","","90","","90","","3510.7","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H50 B4 O8 -","- C30 H50 B4 O8 -","- C120 H200 B16 O32 -","4","1","","Seven, Ömer; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","High-Yield Syntheses and Reactivity Studies of 1,2-Diborylated and 1,2,4,5-Tetraborylated Benzenes","Organometallics","2014","33","5","1291","","10.1021/om500104w","","","0.71073","MoKα","","0.1112","0.1015","","","0.265","0.2736","","","","","","1.162","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082680","36.611","0.0013","10.6178","0.0002","35.8608","0.0014","90","","118.509","0.003","90","","12249.8","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 B3 Br3 O6 -","- C24 H36 B3 Br3 O6 -","- C384 H576 B48 Br48 O96 -","16","2","","Seven, Ömer; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","High-Yield Syntheses and Reactivity Studies of 1,2-Diborylated and 1,2,4,5-Tetraborylated Benzenes","Organometallics","2014","33","5","1291","","10.1021/om500104w","","","0.71073","MoKα","","0.067","0.042","","","0.0884","0.0961","","","","","","0.988","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082681","9.5364","0.0007","11.0935","0.001","11.0574","0.0008","90","","96.013","0.006","90","","1163.35","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 B2 Br4 O4 -","- C18 H24 B2 Br4 O4 -","- C36 H48 B4 Br8 O8 -","2","0.5","","Seven, Ömer; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","High-Yield Syntheses and Reactivity Studies of 1,2-Diborylated and 1,2,4,5-Tetraborylated Benzenes","Organometallics","2014","33","5","1291","","10.1021/om500104w","","","0.71073","MoKα","","0.0574","0.0438","","","0.0974","0.1025","","","","","","1.121","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082682","10.5663","0.001","7.9451","0.0005","23.736","0.003","90","","91.6","0.009","90","","1991.9","0.3","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H24 B2 Br2 Li2 O -","- C16 H24 B2 Br2 Li2 O -","- C64 H96 B8 Br8 Li8 O4 -","4","1","","Seven, Ömer; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","High-Yield Syntheses and Reactivity Studies of 1,2-Diborylated and 1,2,4,5-Tetraborylated Benzenes","Organometallics","2014","33","5","1291","","10.1021/om500104w","","","0.71073","MoKα","","0.052","0.0371","","","0.0842","0.0889","","","","","","1.018","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082683","11.0407","0.0008","13.5559","0.0011","14.4597","0.0011","87.243","0.006","67.938","0.006","67.074","0.006","1835","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H58 B4 Li2 O6 -","- C32 H58 B4 Li2 O6 -","- C64 H116 B8 Li4 O12 -","2","1","","Seven, Ömer; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","High-Yield Syntheses and Reactivity Studies of 1,2-Diborylated and 1,2,4,5-Tetraborylated Benzenes","Organometallics","2014","33","5","1291","","10.1021/om500104w","","","0.71073","MoKα","","0.0656","0.0492","","","0.1203","0.1281","","","","","","1.028","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082684","12.0131","0.0006","17.7315","0.0009","19.4496","0.0014","90","","90","","90","","4143","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H70 B4 Li4 O7 -","- C34 H70 B4 Li4 O7 -","- C136 H280 B16 Li16 O28 -","4","0.5","","Seven, Ömer; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","High-Yield Syntheses and Reactivity Studies of 1,2-Diborylated and 1,2,4,5-Tetraborylated Benzenes","Organometallics","2014","33","5","1291","","10.1021/om500104w","","","0.71073","MoKα","","0.1399","0.1157","","","0.2975","0.3176","","","","","","1.118","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082685","4.6297","0.0004","12.1997","0.0009","18.5887","0.0012","90","","90","","90","","1049.91","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 B Br O2 -","- C12 H8 B Br O2 -","- C48 H32 B4 Br4 O8 -","4","1","","Seven, Ömer; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","High-Yield Syntheses and Reactivity Studies of 1,2-Diborylated and 1,2,4,5-Tetraborylated Benzenes","Organometallics","2014","33","5","1291","","10.1021/om500104w","","","0.71073","MoKα","","0.0365","0.0339","","","0.0787","0.0796","","","","","","1.075","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082686","9.84073","0.00016","22.5493","0.0003","10.30573","0.00016","90","","111.113","0.0018","90","","2133.35","0.06","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 N2 O Zn -","- C20 H36 N2 O Zn -","- C80 H144 N8 O4 Zn4 -","4","1","","Brown, Neil J.; Harris, Jonathon E.; Yin, Xinning; Silverwood, Ian; White, Andrew J. P.; Kazarian, Sergei G.; Hellgardt, Klaus; Shaffer, Milo S. P.; Williams, Charlotte K.","Mononuclear Phenolate Diamine Zinc Hydride Complexes and Their Reactions With CO2.","Organometallics","2014","33","5","1112","1119","10.1021/om400679n","","","1.54184","CuKα","","0.0404","0.0302","","","0.0741","0.0802","","","","","","1.021","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082687","12.5486","0.0005","13.7189","0.0006","20.0521","0.0008","97.612","0.003","96.728","0.003","92.256","0.003","3392.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 B F12 O3 -","- C38 H27 B F12 O3 -","- C152 H108 B4 F48 O12 -","4","2","","Mohr, Jens; Durmaz, Mustafa; Irran, Elisabeth; Oestreich, Martin","Tris(5,6,7,8-tetrafluoronaphthalen-2-yl)borane, a Partially Fluorinated Boron Lewis Acid with Fluorination Distal to the Boron Atom","Organometallics","2014","33","5","1108","","10.1021/om500128a","","","1.54184","CuKα","","0.1146","0.0814","","","0.1706","0.1891","","","","","","1.098","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082688","9.9578","0.0004","12.8785","0.0003","20.3876","0.0007","89.118","0.002","89.773","0.003","83.346","0.003","2596.61","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H39 B F12 O P -","- C63 H39 B F12 O P -","- C126 H78 B2 F24 O2 P2 -","2","1","","Mohr, Jens; Durmaz, Mustafa; Irran, Elisabeth; Oestreich, Martin","Tris(5,6,7,8-tetrafluoronaphthalen-2-yl)borane, a Partially Fluorinated Boron Lewis Acid with Fluorination Distal to the Boron Atom","Organometallics","2014","33","5","1108","","10.1021/om500128a","","","1.54184","CuKα","","0.0598","0.0468","","","0.1228","0.1364","","","","","","1.036","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082689","7.0403","0.0002","7.738","0.0002","12.3152","0.0004","98.896","0.002","100.238","0.002","92.907","0.002","650.17","0.03","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Co F6 O2 P -","- C11 H10 Co F6 O2 P -","- C22 H20 Co2 F12 O4 P2 -","2","1","","Vanicek, Stefan; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Schottenberger, Herwig; Bildstein, Benno","Chemoselective, Practical Synthesis of Cobaltocenium Carboxylic Acid Hexafluorophosphate","Organometallics","2014","33","5","1152","","10.1021/om401120h","","","0.71073","MoKα","","0.0398","0.0336","","","0.0848","0.0878","","","","","","1.076","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082690","20.0859","0.0015","24.0588","0.0016","28.841","0.002","90","","90","","90","","13937.2","1.7","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C78 H59 N2 Ni -","- C78 H59 N2 Ni -","- C624 H472 N16 Ni8 -","8","1","","Hoshimoto, Yoichi; Hayashi, Yukari; Suzuki, Haruka; Ohashi, Masato; Ogoshi, Sensuke","One-Pot, Single-Step, and Gram-Scale Synthesis of Mononuclear [(η6-arene)Ni(N-heterocyclic carbene)] Complexes: Useful Precursors of the Ni0‒NHC Unit","Organometallics","2014","33","5","1276","","10.1021/om500088p","","","0.71075","MoKα","","0.2306","0.0967","","","0.1962","0.2495","","","","","","0.91","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082691","16.417","0.008","17.435","0.009","21.669","0.011","90","","90","","90","","6202","5","273","","273","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C36 H44 N3 Ni -","- C36 H43 N3 Ni -","- C288 H344 N24 Ni8 -","8","1","","Hoshimoto, Yoichi; Hayashi, Yukari; Suzuki, Haruka; Ohashi, Masato; Ogoshi, Sensuke","One-Pot, Single-Step, and Gram-Scale Synthesis of Mononuclear [(η6-arene)Ni(N-heterocyclic carbene)] Complexes: Useful Precursors of the Ni0‒NHC Unit","Organometallics","2014","33","5","1276","","10.1021/om500088p","","","0.71075","MoKα","","","0.055","","","","0.1961","","","","","","1.136","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082692","10.6704","0.0008","11.8689","0.001","18.1846","0.0014","78.762","0.003","89.783","0.002","71.356","0.003","2136.1","0.3","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H60 N4 Ni -","- C48 H60 N4 Ni -","- C96 H120 N8 Ni2 -","2","1","","Hoshimoto, Yoichi; Hayashi, Yukari; Suzuki, Haruka; Ohashi, Masato; Ogoshi, Sensuke","One-Pot, Single-Step, and Gram-Scale Synthesis of Mononuclear [(η6-arene)Ni(N-heterocyclic carbene)] Complexes: Useful Precursors of the Ni0‒NHC Unit","Organometallics","2014","33","5","1276","","10.1021/om500088p","","","0.71075","MoKα","","","0.0987","","","","0.3095","","","","","","1.04","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082693","8.1568","0.0016","8.2765","0.0017","14.305","0.003","77.71","0.03","74.99","0.03","64.67","0.03","837.3","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Cl2 Ir N -","- C17 H20 Cl2 Ir N -","- C34 H40 Cl4 Ir2 N2 -","2","1","","Teo, Jing Wei; Sridevi, Venugopal Shanmugham; Leong, Weng Kee","N-Metallacycles from [Cp*MX2]2and Alkynylpyridines: Synthesis, Reaction Pathway, and Aromaticity","Organometallics","2014","33","5","1174","","10.1021/om401154c","","","0.71073","MoKα","","0.0243","0.0231","","","0.0538","0.0543","","","","","","1.115","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082694","10.5522","0.0004","27.2973","0.0007","13.8894","0.0005","90","","128.719","0.002","90","","3121.5","0.2","100","0.1","100","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 Mo2 O2 P S -","- C36 H41 Mo2 O2 P S -","- C144 H164 Mo8 O8 P4 S4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; Menéndez, Sonia; Ruiz, Miguel A.","Reactions of the Carbyne-Bridged Radical Complex [Mo2(η5-C5H5)2(μ-CPh)(μ-PCy2)(μ-CO)]+with Bidentate Ligands Having E‒H Bonds (E = O, S, N)","Organometallics","2014","33","5","1181","","10.1021/om401192m","","x-ray","0.71073","MoKα","","0.1169","0.0593","","","0.0848","0.1045","","","","","","1.025","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082695","14.9549","0.0005","16.6837","0.0005","18.6223","0.0007","68.629","0.003","70.066","0.003","64.625","0.003","3814","0.3","100","","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C75 H88 Cl6 Mo4 O6 P2 -","- C75 H88 Cl6 Mo4 O6 P2 -","- C150 H176 Cl12 Mo8 O12 P4 -","2","1","","Alvarez, M. Angeles; García, M. Esther; Menéndez, Sonia; Ruiz, Miguel A.","Reactions of the Carbyne-Bridged Radical Complex [Mo2(η5-C5H5)2(μ-CPh)(μ-PCy2)(μ-CO)]+with Bidentate Ligands Having E‒H Bonds (E = O, S, N)","Organometallics","2014","33","5","1181","","10.1021/om401192m","","x-ray","1.54184","CuKα","","0.062","0.0528","","","0.1506","0.1605","","","","","","1.051","","","","has coordinates,has disorder","178715","2020-10-21","18:00:00",""
"4082696","14.051","0.005","14.551","0.005","15.927","0.005","90.047","0.005","90.12","0.005","91.407","0.005","3255.4","1.9","100","0.1","100","0.1","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C68 H54 B F24 Mo2 O2 P -","- C68 H54 B F24 Mo2 O2 P -","- C136 H108 B2 F48 Mo4 O4 P2 -","2","1","","Alvarez, M. Angeles; García, M. Esther; Menéndez, Sonia; Ruiz, Miguel A.","Reactions of the Carbyne-Bridged Radical Complex [Mo2(η5-C5H5)2(μ-CPh)(μ-PCy2)(μ-CO)]+with Bidentate Ligands Having E‒H Bonds (E = O, S, N)","Organometallics","2014","33","5","1181","","10.1021/om401192m","","x-ray","0.71073","MoKα","","0.0901","0.0617","","","0.1261","0.1393","","","","","","1.024","","","","has coordinates,has disorder","209531","2020-10-21","18:00:00",""
"4082697","48.907","0.004","18.9148","0.0017","8.3417","0.0008","90","","90","","90","","7716.6","1.2","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C19 H46 B N O Os P2 S -","- C19 H46 B N O Os P2 S -","- C228 H552 B12 N12 O12 Os12 P24 S12 -","12","3","","Esteruelas, Miguel A.; Fernández, Israel; López, Ana M.; Mora, Malka; Oñate, Enrique","Osmium-Promoted Dehydrogenation of Amine‒Boranes and B‒H Bond Activation of the Resulting Amino‒Boranes","Organometallics","2014","33","5","1104","","10.1021/om500027p","","","0.71073","MoKα","","0.0561","0.0453","","","0.083","0.0864","","","","","","1.061","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082698","8.006","0.002","11.063","0.003","13.311","0.004","90","","103.983","0.007","90","","1144","0.5","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 B Cr N O3 -","- C11 H12 B Cr N O3 -","- C44 H48 B4 Cr4 N4 O12 -","4","1","","Rohr, Ahleah D.; Kampf, Jeff W.; Ashe, Arthur J.","Syntheses of [6,6]-Fused-Ring 1,2-Azaborines","Organometallics","2014","33","5","1318","","10.1021/om401077k","","","1.54178","CuKα","","0.0397","0.038","","","0.1018","0.1042","","","","","","1.116","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082699","14.4641","0.0009","20.9734","0.0006","24.7791","0.0015","90","","90","","90","","7517","0.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C86 H72 Cl2 N4 O2 P4 Pd2 -","- C86 H72 Cl2 N4 O2 P4 Pd2 -","- C344 H288 Cl8 N16 O8 P16 Pd8 -","4","1","","Juribašić, Marina; Halasz, Ivan; Babić, Darko; Cinčić, Dominik; Plavec, Janez; Ćurić, Manda","Aging and Ball-Milling as Low-Energy and Environmentally Friendly Methods for the Synthesis of Pd(II) Photosensitizers","Organometallics","2014","33","5","1227","","10.1021/om500008v","","","1.5418","CuKα","","","0.1048","","","","0.2637","","","","","","1.03","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082700","11.5886","0.0007","9.2766","0.0011","43.509","0.003","90","","94.34","0.005","90","","4663.9","0.7","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C51 H46 Cl2 N2 O2 P2 Pd2 -","- C51 H46 Cl2 N2 O2 P2 Pd2 -","- C204 H184 Cl8 N8 O8 P8 Pd8 -","4","2","","Juribašić, Marina; Halasz, Ivan; Babić, Darko; Cinčić, Dominik; Plavec, Janez; Ćurić, Manda","Aging and Ball-Milling as Low-Energy and Environmentally Friendly Methods for the Synthesis of Pd(II) Photosensitizers","Organometallics","2014","33","5","1227","","10.1021/om500008v","","","0.71073","MoKα","","","0.1035","","","","0.2706","","","","","","1.044","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082701","11.02545","0.00033","11.60073","0.00062","13.98527","0.00047","74.3792","0.0019","88.4213","0.0025","99.7528","0.0022","1692.75","0.12","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C80 H64 Cl2 Fe2 N2 P4 Pd2 -","- C80 H64 Cl2 Fe2 N2 P4 Pd2 -","- C80 H64 Cl2 Fe2 N2 P4 Pd2 -","1","0.5","","Juribašić, Marina; Halasz, Ivan; Babić, Darko; Cinčić, Dominik; Plavec, Janez; Ćurić, Manda","Aging and Ball-Milling as Low-Energy and Environmentally Friendly Methods for the Synthesis of Pd(II) Photosensitizers","Organometallics","2014","33","5","1227","","10.1021/om500008v","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.007","","2.94","","","","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082702","13.777","0.003","13.963","0.003","18.59","0.004","109.07","0.03","98.42","0.03","97.32","0.03","3284.2","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H58 F6 N4 O14 Ru2 S2 -","- C58 H50 F6 N4 O14 Ru2 S2 -","- C116 H100 F12 N8 O28 Ru4 S4 -","2","1","","Mishra, Anurag; Jeong, Yong Joon; Jo, Jae-Ho; Kang, Se Chan; Kim, Hyunuk; Chi, Ki-Whan","Coordination-Driven Self-Assembly and Anticancer Potency Studies of Arene‒Ruthenium-Based Molecular Metalla-Rectangles","Organometallics","2014","33","5","1144","","10.1021/om401042m","","","0.8","synchrotron","","0.117","0.1165","","","0.2884","0.29","","","","","","1.588","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082703","8.8914","0.0015","14.057","0.002","16.137","0.003","90","","90","","90","","2016.9","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Br2 N2 Pd S -","- C19 H22 Br2 N2 Pd S -","- C76 H88 Br8 N8 Pd4 S4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Benzimidazolin-2-ylidene Complexes of Palladium(II) Featuring a Thioether Moiety: Synthesis, Characterization, Molecular Dynamics, and Catalytic Activities","Organometallics","2014","33","5","1266","","10.1021/om500083r","","","0.71073","MoKα","","0.0279","0.0253","","","0.0533","0.0539","","","","","","0.988","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082704","11.5261","0.0008","36.043","0.003","14.1629","0.0009","90","","102.121","0.002","90","","5752.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Br4 N4 Pd2 S2 -","- C32 H48 Br4 N4 Pd2 S2 -","- C192 H288 Br24 N24 Pd12 S12 -","6","1.5","","Bernhammer, Jan C.; Huynh, Han Vinh","Benzimidazolin-2-ylidene Complexes of Palladium(II) Featuring a Thioether Moiety: Synthesis, Characterization, Molecular Dynamics, and Catalytic Activities","Organometallics","2014","33","5","1266","","10.1021/om500083r","","","0.71073","MoKα","","0.1345","0.0716","","","0.1338","0.1576","","","","","","0.995","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082705","8.9485","0.0004","11.9417","0.0006","14.7246","0.0007","91.252","0.001","94.083","0.001","101.605","0.001","1536.34","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H68 Br4 N4 Pd2 S2 -","- C64 H68 Br4 N4 Pd2 S2 -","- C64 H68 Br4 N4 Pd2 S2 -","1","0.5","","Bernhammer, Jan C.; Huynh, Han Vinh","Benzimidazolin-2-ylidene Complexes of Palladium(II) Featuring a Thioether Moiety: Synthesis, Characterization, Molecular Dynamics, and Catalytic Activities","Organometallics","2014","33","5","1266","","10.1021/om500083r","","","0.71073","MoKα","","0.0394","0.0318","","","0.0712","0.0738","","","","","","1.03","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082706","15.038","0.003","11.54","0.002","16.353","0.004","90","","117.039","0.003","90","","2527.7","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H28 Br2 N2 Pd S -","- C26 H28 Br2 N2 Pd S -","- C104 H112 Br8 N8 Pd4 S4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Benzimidazolin-2-ylidene Complexes of Palladium(II) Featuring a Thioether Moiety: Synthesis, Characterization, Molecular Dynamics, and Catalytic Activities","Organometallics","2014","33","5","1266","","10.1021/om500083r","","","0.71073","MoKα","","0.0427","0.0331","","","0.0643","0.0696","","","","","","0.985","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082707","10.844","0.013","13.184","0.015","13.233","0.016","78.09","0.02","70.73","0.02","65.88","0.02","1624","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 Br2 N4 Pd S -","- C32 H40 Br2 N4 Pd S -","- C64 H80 Br4 N8 Pd2 S2 -","2","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Benzimidazolin-2-ylidene Complexes of Palladium(II) Featuring a Thioether Moiety: Synthesis, Characterization, Molecular Dynamics, and Catalytic Activities","Organometallics","2014","33","5","1266","","10.1021/om500083r","","","0.71073","MoKα","","0.0805","0.0564","","","0.1435","0.1549","","","","","","1.092","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082708","9.026","0.007","9.594","0.008","19.802","0.017","89.396","0.018","78.969","0.019","70.357","0.018","1582","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H42 Br2 N4 Pd S -","- C29 H42 Br2 N4 Pd S -","- C58 H84 Br4 N8 Pd2 S2 -","2","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Benzimidazolin-2-ylidene Complexes of Palladium(II) Featuring a Thioether Moiety: Synthesis, Characterization, Molecular Dynamics, and Catalytic Activities","Organometallics","2014","33","5","1266","","10.1021/om500083r","","","0.71073","MoKα","","0.1356","0.0903","","","0.1676","0.1874","","","","","","1.096","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082709","9.299","0.004","33.216","0.015","13.877","0.006","90","","102.034","0.011","90","","4192","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H47 Br2 Cl3 N4 Pd S -","- C39.5 H47 Br2 Cl3 N4 Pd S -","- C158 H188 Br8 Cl12 N16 Pd4 S4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Benzimidazolin-2-ylidene Complexes of Palladium(II) Featuring a Thioether Moiety: Synthesis, Characterization, Molecular Dynamics, and Catalytic Activities","Organometallics","2014","33","5","1266","","10.1021/om500083r","","","0.71073","MoKα","","0.0912","0.0569","","","0.1346","0.1508","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082710","10.924","0.005","23.55","0.01","12.9","0.005","90","","95.699","0.009","90","","3302","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 Br2 N4 Pd S -","- C33 H42 Br2 N4 Pd S -","- C132 H168 Br8 N16 Pd4 S4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Benzimidazolin-2-ylidene Complexes of Palladium(II) Featuring a Thioether Moiety: Synthesis, Characterization, Molecular Dynamics, and Catalytic Activities","Organometallics","2014","33","5","1266","","10.1021/om500083r","","","0.71073","MoKα","","0.0639","0.0447","","","0.1106","0.1206","","","","","","1.05","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082711","9.4352","0.0007","20.7414","0.0016","19.2349","0.0014","90","","94.539","0.002","90","","3752.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H46 Br2 N4 Pd S -","- C39 H46 Br2 N4 Pd S -","- C156 H184 Br8 N16 Pd4 S4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Benzimidazolin-2-ylidene Complexes of Palladium(II) Featuring a Thioether Moiety: Synthesis, Characterization, Molecular Dynamics, and Catalytic Activities","Organometallics","2014","33","5","1266","","10.1021/om500083r","","","0.71073","MoKα","","0.0707","0.0387","","","0.075","0.085","","","","","","1.019","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082712","26.386","0.004","8.9811","0.0014","30.65","0.004","90","","105.735","0.007","90","","6991.1","1.8","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","AM1142","AM1142","","- C56 H81 B6 F24 Ir3 N2 O10 -","- C56 H81 B6 F24 Ir3 N2 O10 -","- C224 H324 B24 F96 Ir12 N8 O40 -","4","1","","Miller, Alexander J. M.; Kaminsky, Werner; Goldberg, Karen I.","Arene Activation at Iridium Facilitates C‒O Bond Cleavage of Aryl Ethers","Organometallics","2014","33","5","1245","","10.1021/om5000166","","","0.71073","MoKα","","0.1175","0.0687","","","0.1253","0.1423","","","","","","1.04","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082713","12.0328","0.0014","12.045","0.0013","17.2216","0.0018","92.13","0.006","103.436","0.007","101.014","0.007","2374.3","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","AM1146","AM1146","","- C49 H34 B F24 Ir O2 -","- C49 H34 B F24 Ir O2 -","- C98 H68 B2 F48 Ir2 O4 -","2","1","","Miller, Alexander J. M.; Kaminsky, Werner; Goldberg, Karen I.","Arene Activation at Iridium Facilitates C‒O Bond Cleavage of Aryl Ethers","Organometallics","2014","33","5","1245","","10.1021/om5000166","","","0.71073","MoKα","","0.0909","0.0753","","","0.1721","0.1788","","","","","","1.068","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082714","15.023","0.003","24.029","0.004","16.748","0.003","90","","108.51","0.004","90","","5733.1","1.8","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C113 H114 Cl2 N16 O16 Pd8 -","- C113 H114 Cl2 N16 O16 Pd8 -","- C226 H228 Cl4 N32 O32 Pd16 -","2","0.5","","Chu, Jean-Ho; Huang, Hao-Ping; Hsu, Wen-Ting; Chen, Shih-Tien; Wu, Ming-Jung","Palladium(II)-Catalyzed Direct Ortho Arylation of 4-Methyl-N-phenylpyridin-2-amines via C‒H Activation/C‒C Coupling and Synthetic Applications","Organometallics","2014","33","5","1190","","10.1021/om401195w","","","0.71073","MoKα","","0.1108","0.0542","","","0.1457","0.1678","","","","","","1.032","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082715","10.2149","0.0004","11.248","0.0006","29.3286","0.0014","90","","97.172","0.002","90","","3343.4","0.3","140","2","140","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H55 F3 Fe N4 O3 P4 S -","- C23 H55 F3 Fe N4 O3 P4 S -","- C92 H220 F12 Fe4 N16 O12 P16 S4 -","4","1","","Heiden, Zachariah M.; Chen, Shentan; Labios, Liezel A.; Bullock, R. Morris; Walter, Eric D.; Tyson, Elizabeth L.; Mock, Michael T.","Proton and Electron Additions to Iron(II) Dinitrogen Complexes Containing Pendant Amines","Organometallics","2014","33","6","1333","","10.1021/om401089d","","","0.71073","MoKα","","0.0487","0.0341","","","0.0797","0.086","","","","","","1.031","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082716","6.4228","0.0014","8.2906","0.0018","18.331","0.004","77.541","0.003","83.384","0.003","68.854","0.003","888.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Fe3 O7 S4 -","- C11 H8 Fe3 O7 S4 -","- C22 H16 Fe6 O14 S8 -","2","1","","Rahaman, Ahibur; Ghosh, Shishir; Unwin, David G.; Basak-Modi, Sucharita; Holt, Katherine B.; Kabir, Shariff E.; Nordlander, Ebbe; Richmond, Michael G.; Hogarth, Graeme","Bioinspired Hydrogenase Models: The Mixed-Valence Triiron Complex [Fe3(CO)7(μ-edt)2] and Phosphine Derivatives [Fe3(CO)7-x (PPh3) x (μ-edt)2] (x = 1, 2) and [Fe3(CO)5(κ(2)-diphosphine)(μ-edt)2] as Proton Reduction Catalysts.","Organometallics","2014","33","6","1356","1366","10.1021/om400691q","","","0.71073","MoKα","","0.048","0.0417","","","0.1248","0.1411","","","","","","1.051","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082717","8.799","0.005","11.268","0.006","16.543","0.009","90.571","0.007","90.498","0.014","109.469","0.008","1546.2","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H23 Fe3 O6 P S4 -","- C28 H23 Fe3 O6 P S4 -","- C56 H46 Fe6 O12 P2 S8 -","2","1","","Rahaman, Ahibur; Ghosh, Shishir; Unwin, David G.; Basak-Modi, Sucharita; Holt, Katherine B.; Kabir, Shariff E.; Nordlander, Ebbe; Richmond, Michael G.; Hogarth, Graeme","Bioinspired Hydrogenase Models: The Mixed-Valence Triiron Complex [Fe3(CO)7(μ-edt)2] and Phosphine Derivatives [Fe3(CO)7-x (PPh3) x (μ-edt)2] (x = 1, 2) and [Fe3(CO)5(κ(2)-diphosphine)(μ-edt)2] as Proton Reduction Catalysts.","Organometallics","2014","33","6","1356","1366","10.1021/om400691q","","","0.71073","MoKα","","0.1181","0.0943","","","0.26","0.2787","","","","","","1.052","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082718","25.52","0.016","13.484","0.009","30.207","0.018","90","","94.72","0.01","90","","10359","11","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Fe3 O5.5 P2 S4 -","- C50 H38 Fe3 O5.5 P2 S4 -","- C400 H304 Fe24 O44 P16 S32 -","8","1","","Rahaman, Ahibur; Ghosh, Shishir; Unwin, David G.; Basak-Modi, Sucharita; Holt, Katherine B.; Kabir, Shariff E.; Nordlander, Ebbe; Richmond, Michael G.; Hogarth, Graeme","Bioinspired Hydrogenase Models: The Mixed-Valence Triiron Complex [Fe3(CO)7(μ-edt)2] and Phosphine Derivatives [Fe3(CO)7-x (PPh3) x (μ-edt)2] (x = 1, 2) and [Fe3(CO)5(κ(2)-diphosphine)(μ-edt)2] as Proton Reduction Catalysts.","Organometallics","2014","33","6","1356","1366","10.1021/om400691q","","","0.71073","MoKα","","0.2394","0.1027","","","0.2069","0.2551","","","","","","0.96","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082719","23.939","0.007","17.775","0.005","8.513","0.002","90","","90","","90","","3622.4","1.7","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H30 Fe3 O5 P2 S4 -","- C35 H30 Fe3 O5 P2 S4 -","- C140 H120 Fe12 O20 P8 S16 -","4","0.5","","Rahaman, Ahibur; Ghosh, Shishir; Unwin, David G.; Basak-Modi, Sucharita; Holt, Katherine B.; Kabir, Shariff E.; Nordlander, Ebbe; Richmond, Michael G.; Hogarth, Graeme","Bioinspired Hydrogenase Models: The Mixed-Valence Triiron Complex [Fe3(CO)7(μ-edt)2] and Phosphine Derivatives [Fe3(CO)7-x (PPh3) x (μ-edt)2] (x = 1, 2) and [Fe3(CO)5(κ(2)-diphosphine)(μ-edt)2] as Proton Reduction Catalysts.","Organometallics","2014","33","6","1356","1366","10.1021/om400691q","","","0.71073","MoKα","","0.0661","0.0396","","","0.0854","0.0903","","","","","","0.906","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082720","14.9939","0.0004","16.1618","0.0004","8.5482","0.0002","90","","97.61","0.002","90","","2053.23","0.09","133","2","133","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H32 N2 O -","- C22 H32 N2 O -","- C88 H128 N8 O4 -","4","1","","Loh, Claas; Seupel, Susanne; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Structural Evidence of Strong Calcium−π Interactions to Aryl Substituents Stabilized by Coexistent Agostic Bonds to Alkyl Groups","Organometallics","2014","33","6","1480","","10.1021/om500135g","","","0.71073","MoKα","","0.0428","0.0403","","","0.0912","0.0937","","","","","","1.102","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082721","8.9088","0.0003","16.3955","0.0005","17.1679","0.0005","106.318","0.002","98.957","0.002","97.706","0.002","2335.05","0.13","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C24.25 H36 N3 -","- C24.25 H36 N3 -","- C97 H144 N12 -","4","2","","Loh, Claas; Seupel, Susanne; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Structural Evidence of Strong Calcium−π Interactions to Aryl Substituents Stabilized by Coexistent Agostic Bonds to Alkyl Groups","Organometallics","2014","33","6","1480","","10.1021/om500135g","","","0.71073","MoKα","","0.1169","0.0919","","","0.2266","0.2491","","","","","","1.094","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082722","14.7096","0.0004","15.7299","0.0004","16.0151","0.0004","64.265","0.001","86.917","0.002","63.228","0.001","2933.53","0.14","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H47 Li N2 O3 -","- C30 H47 Li N2 O3 -","- C120 H188 Li4 N8 O12 -","4","2","","Loh, Claas; Seupel, Susanne; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Structural Evidence of Strong Calcium−π Interactions to Aryl Substituents Stabilized by Coexistent Agostic Bonds to Alkyl Groups","Organometallics","2014","33","6","1480","","10.1021/om500135g","","","0.71073","MoKα","","0.1174","0.0792","","","0.1797","0.2061","","","","","","1.018","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082723","9.8728","0.0003","18.6663","0.0005","15.3965","0.0003","90","","108.327","0.001","90","","2693.48","0.12","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H42 Li N3 O2 -","- C27 H42 Li N3 O2 -","- C108 H168 Li4 N12 O8 -","4","1","","Loh, Claas; Seupel, Susanne; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Structural Evidence of Strong Calcium−π Interactions to Aryl Substituents Stabilized by Coexistent Agostic Bonds to Alkyl Groups","Organometallics","2014","33","6","1480","","10.1021/om500135g","","","0.71073","MoKα","","0.0644","0.053","","","0.1144","0.1212","","","","","","1.074","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082724","12.3545","0.0002","16.3117","0.0002","13.8836","0.0002","90","","98.531","0.001","90","","2766.91","0.07","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H41 K N2 O3 -","- C26 H41 K N2 O3 -","- C104 H164 K4 N8 O12 -","4","1","","Loh, Claas; Seupel, Susanne; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Structural Evidence of Strong Calcium−π Interactions to Aryl Substituents Stabilized by Coexistent Agostic Bonds to Alkyl Groups","Organometallics","2014","33","6","1480","","10.1021/om500135g","","","0.71073","MoKα","","0.0524","0.0436","","","0.1013","0.1075","","","","","","1.042","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082725","12.4018","0.0002","16.6703","0.0003","14.0107","0.0002","90","","97.837","0.001","90","","2869.54","0.08","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 K N3 O2 -","- C27 H42 K N3 O2 -","- C108 H168 K4 N12 O8 -","4","1","","Loh, Claas; Seupel, Susanne; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Structural Evidence of Strong Calcium−π Interactions to Aryl Substituents Stabilized by Coexistent Agostic Bonds to Alkyl Groups","Organometallics","2014","33","6","1480","","10.1021/om500135g","","","0.71073","MoKα","","0.0606","0.045","","","0.091","0.099","","","","","","1.073","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082726","10.5266","0.0002","22.3209","0.0004","20.2451","0.0003","90","","103.015","0.001","90","","4634.66","0.14","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Ca N4 O3 -","- C48 H70 Ca N4 O3 -","- C192 H280 Ca4 N16 O12 -","4","1","","Loh, Claas; Seupel, Susanne; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Structural Evidence of Strong Calcium−π Interactions to Aryl Substituents Stabilized by Coexistent Agostic Bonds to Alkyl Groups","Organometallics","2014","33","6","1480","","10.1021/om500135g","","","0.71073","MoKα","","0.0911","0.0691","","","0.1401","0.1496","","","","","","1.174","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082727","12.4681","0.0002","10.7533","0.0002","18.5863","0.0003","90","","98.318","0.001","90","","2465.71","0.07","133","2","133","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C53 H72 Ca N6 -","- C53 H72 Ca N6 -","- C106 H144 Ca2 N12 -","2","1","","Loh, Claas; Seupel, Susanne; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Structural Evidence of Strong Calcium−π Interactions to Aryl Substituents Stabilized by Coexistent Agostic Bonds to Alkyl Groups","Organometallics","2014","33","6","1480","","10.1021/om500135g","","","0.71073","MoKα","","0.0329","0.0308","","","0.0721","0.0739","","","","","","1.084","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082728","15.3575","0.0004","20.725","0.0005","21.1401","0.0004","90","","110.915","0.001","90","","6285.2","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67.5 H94 Ca N6 O2 -","- C67.5 H94 Ca N6 O2 -","- C270 H376 Ca4 N24 O8 -","4","1","","Loh, Claas; Seupel, Susanne; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Structural Evidence of Strong Calcium−π Interactions to Aryl Substituents Stabilized by Coexistent Agostic Bonds to Alkyl Groups","Organometallics","2014","33","6","1480","","10.1021/om500135g","","","0.71073","MoKα","","0.0948","0.065","","","0.1313","0.1476","","","","","","1.119","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082729","12.2598","0.0006","12.2598","0.0006","38.622","0.003","90","","90","","90","","5805","0.6","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","KEA029","KEA029","","- C32 H35 Ir N2 O7 -","- C32 H35 Ir N2 O7 -","- C256 H280 Ir8 N16 O56 -","8","0.5","","Allen, Kate E.; Heinekey, D. Michael; Goldman, Alan S.; Goldberg, Karen I.","Regeneration of an Iridium(III) Complex Active for Alkane Dehydrogenation Using Molecular Oxygen","Organometallics","2014","33","6","1337","","10.1021/om401241e","","","0.71073","MoKα","","0.0227","0.0168","","","0.0389","0.0421","","","","","","1.084","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082730","7.5946","0.0003","11.1946","0.0008","12.3542","0.0002","71.412","0.011","72.151","0.007","80.68","0.005","945.22","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 F6 N5 Pt Sb -","- C16 H16 F6 N5 Pt Sb -","- C32 H32 F12 N10 Pt2 Sb2 -","2","1","","Petersen, Allan R.; Taylor, Russell A.; Vicente-Hernández, Inmaculada; Heinzer, Jasmin; White, Andrew J. P.; Britovsek, George J. P.","Light-Driven Methyl Exchange Reactions in Square-Planar Palladium(II) and Platinum(II) Complexes","Organometallics","2014","33","6","1453","","10.1021/om500048t","","","0.71073","MoKα","","0.0297","0.0254","","","0.0594","0.0625","","","","","","1.038","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082731","8.5949","0.0003","10.6819","0.0003","15.9071","0.0005","76.754","0.002","75.232","0.003","70.253","0.003","1312.63","0.08","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 F6 N5 O Pt Sb -","- C24 H24 F6 N5 O Pt Sb -","- C48 H48 F12 N10 O2 Pt2 Sb2 -","2","1","","Petersen, Allan R.; Taylor, Russell A.; Vicente-Hernández, Inmaculada; Heinzer, Jasmin; White, Andrew J. P.; Britovsek, George J. P.","Light-Driven Methyl Exchange Reactions in Square-Planar Palladium(II) and Platinum(II) Complexes","Organometallics","2014","33","6","1453","","10.1021/om500048t","","","1.54184","CuKα","","0.0277","0.0263","","","0.0701","0.0709","","","","","","1.063","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082732","8.745","0.003","8.947","0.003","20.623","0.008","89.365","0.006","86.763","0.007","80.351","0.006","1588.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 N3 Si2 Y -","- C30 H38 N3 Si2 Y -","- C60 H76 N6 Si4 Y2 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0831","0.046","","","0.0961","0.1182","","","","","","0.998","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082733","8.7672","0.0006","8.9237","0.0006","20.9609","0.0014","87.489","0.001","83.77","0.001","79.549","0.001","1602.68","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 La N3 Si2 -","- C30 H38 La N3 Si2 -","- C60 H76 La2 N6 Si4 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0429","0.0334","","","0.0717","0.0848","","","","","","1.068","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082734","8.699","0.0017","8.8919","0.0017","20.761","0.004","87.693","0.003","83.584","0.003","80.112","0.003","1571.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 N3 Si2 Sm -","- C30 H38 N3 Si2 Sm -","- C60 H76 N6 Si4 Sm2 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0424","0.0343","","","0.0763","0.0889","","","","","","1.065","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082735","8.698","0.004","8.891","0.003","20.761","0.008","87.749","0.007","83.628","0.006","80.112","0.007","1571.6","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 Eu N3 Si2 -","- C30 H38 Eu N3 Si2 -","- C60 H76 Eu2 N6 Si4 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0596","0.0428","","","0.0886","0.1032","","","","","","1.042","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082736","8.776","0.003","8.941","0.003","20.993","0.006","87.456","0.005","83.724","0.005","79.471","0.004","1609.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 Gd N3 Si2 -","- C30 H38 Gd N3 Si2 -","- C60 H76 Gd2 N6 Si4 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0513","0.0444","","","0.1223","0.1272","","","","","","1.081","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082737","8.6048","0.0005","8.9205","0.0004","20.4268","0.001","89.145","0.001","86.127","0.001","80.335","0.001","1542.15","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 Gd N3 Si2 -","- C30 H38 Gd N3 Si2 -","- C60 H76 Gd2 N6 Si4 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0326","0.0277","","","0.061","0.0631","","","","","","1.015","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082738","8.6924","0.0008","8.8972","0.0008","20.5148","0.0018","89.385","0.001","86.738","0.002","80.34","0.001","1561.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 N3 Si2 Tb -","- C30 H38 N3 Si2 Tb -","- C60 H76 N6 Si4 Tb2 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0527","0.0426","","","0.1092","0.1155","","","","","","1.032","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082739","8.7022","0.0017","8.8923","0.0017","20.517","0.004","89.381","0.003","86.746","0.003","80.378","0.003","1562.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 Dy N3 Si2 -","- C30 H38 Dy N3 Si2 -","- C60 H76 Dy2 N6 Si4 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0328","0.0277","","","0.0691","0.0782","","","","","","1.08","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082740","20.399","0.002","12.4011","0.0012","10.1447","0.001","90","","90","","90","","2566.3","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H33 Er N2 Si2 -","- C23 H31 Er N2 Si2 -","- C92 H124 Er4 N8 Si8 -","4","0.5","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0392","0.0343","","","0.0817","0.0847","","","","","","1.089","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082741","20.4112","0.0009","12.4005","0.0005","10.1533","0.0004","90","","90","","90","","2569.89","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H33 N2 Si2 Yb -","- C23 H31 N2 Si2 Yb -","- C92 H124 N8 Si8 Yb4 -","4","0.5","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0301","0.0228","","","0.0533","0.0562","","","","","","1.063","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082742","18.7265","0.001","10.3987","0.0006","27.3692","0.0014","90","","106.446","0.001","90","","5111.6","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H33 N2 Si2 Yb -","- C23 H33 N2 Si2 Yb -","- C184 H264 N16 Si16 Yb8 -","8","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0537","0.0356","","","0.0562","0.0681","","","","","","1.013","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082743","8.381","0.002","16.03","0.004","9.963","0.003","90","","112.075","0.004","90","","1240.4","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N2 Si Y -","- C24 H33 N2 Si Y -","- C48 H66 N4 Si2 Y2 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0543","0.0443","","","0.1084","0.113","","","","","","1.063","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082744","8.432","0.0006","16.042","0.0012","9.964","0.0008","90","","112.271","0.001","90","","1247.25","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Eu N2 Si -","- C24 H33 Eu N2 Si -","- C48 H66 Eu2 N4 Si2 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0366","0.0298","","","0.0531","0.0556","","","","","","0.938","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082745","8.445","0.004","16.075","0.008","9.986","0.005","90","","112.351","0.009","90","","1253.8","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Gd N2 Si -","- C24 H33 Gd N2 Si -","- C48 H66 Gd2 N4 Si2 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0606","0.0398","","","0.0665","0.0751","","","","","","0.898","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082746","8.4031","0.0012","16.039","0.002","9.9837","0.0015","90","","112.113","0.002","90","","1246.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N2 Si Tb -","- C24 H33 N2 Si Tb -","- C48 H66 N4 Si2 Tb2 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0521","0.0354","","","0.0621","0.0667","","","","","","1.026","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082747","8.408","0.004","15.977","0.007","9.957","0.004","90","","112.177","0.007","90","","1238.6","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Dy N2 Si -","- C24 H33 Dy N2 Si -","- C48 H66 Dy2 N4 Si2 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0753","0.046","","","0.072","0.0812","","","","","","1.008","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082748","8.343","0.006","15.938","0.011","9.914","0.007","90","","112.012","0.01","90","","1222.2","1.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Er N2 Si -","- C24 H33 Er N2 Si -","- C48 H66 Er2 N4 Si2 -","2","1","","Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming","Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes","Organometallics","2014","33","6","1374","","10.1021/om400856d","","","0.71073","MoKα","","0.0305","0.0283","","","0.0642","0.0652","","","","","","1","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082749","8.7374","0.0017","11.492","0.002","24.169","0.005","90","","90","","90","","2426.8","0.8","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H13 K O3 Ru -","- C11 H13 K O3 Ru -","- C88 H104 K8 O24 Ru8 -","8","1","","Kalz, Kai F.; Kindermann, Nicole; Xiang, Sheng-Qi; Kronz, Andreas; Lange, Adam; Meyer, Franc","Revisiting the Synthesis and Elucidating the Structure of Potassium Cyclopentadienyldicarbonylruthenate, K[CpRu(CO)2]","Organometallics","2014","33","6","1475","","10.1021/om500107j","","","0.71073","MoKα","","0.03","0.0249","","","0.0637","0.0659","","","","","","1.073","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082750","11.1131","0.0011","31.692","0.003","13.1717","0.0013","90","","109.328","0.008","90","","4377.6","0.8","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H80 Cl2 P4 Rh2 -","- C36 H80 Cl2 P4 Rh2 -","- C144 H320 Cl8 P16 Rh8 -","4","1","","Whited, Matthew T.; Kosanovich, Alex J.; Janzen, Daron E.","Synthesis and Reactivity of Three-Coordinate (dtbpe)Rh Silylamides: CO2Bond Cleavage by a Rhodium(I) Disilylamide","Organometallics","2014","33","6","1416","","10.1021/om401130q","","","0.71075","MoKα","","0.0534","0.0377","","","0.0635","0.0669","","","","","","1.106","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082751","20.456","0.004","17.299","0.003","9.0187","0.0017","90","","90","","90","","3191.4","1","173","2","173","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H58 N P2 Rh Si2 -","- C24 H58 N P2 Rh Si2 -","- C96 H232 N4 P8 Rh4 Si8 -","4","0.5","","Whited, Matthew T.; Kosanovich, Alex J.; Janzen, Daron E.","Synthesis and Reactivity of Three-Coordinate (dtbpe)Rh Silylamides: CO2Bond Cleavage by a Rhodium(I) Disilylamide","Organometallics","2014","33","6","1416","","10.1021/om401130q","","","0.71075","MoKα","","0.043","0.0319","","","0.0686","0.0728","","","","","","1.069","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082752","20.2627","0.0014","17.1177","0.0012","8.921","0.0006","90","","90","","90","","3094.3","0.4","173","","173","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C25 H58 N P2 Rh Si -","- C25 H58 N P2 Rh Si -","- C100 H232 N4 P8 Rh4 Si4 -","4","0.5","","Whited, Matthew T.; Kosanovich, Alex J.; Janzen, Daron E.","Synthesis and Reactivity of Three-Coordinate (dtbpe)Rh Silylamides: CO2Bond Cleavage by a Rhodium(I) Disilylamide","Organometallics","2014","33","6","1416","","10.1021/om401130q","","","0.71075","MoKα","","0.0406","0.0265","","","0.0529","0.056","","","","","","1.001","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082753","11.5474","0.0009","10.7776","0.0008","20.7067","0.0016","90","","93.141","0.007","90","","2573.1","0.3","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H40 F3 O3 P2 Rh S -","- C19 H40 F3 O3 P2 Rh S -","- C76 H160 F12 O12 P8 Rh4 S4 -","4","1","","Whited, Matthew T.; Kosanovich, Alex J.; Janzen, Daron E.","Synthesis and Reactivity of Three-Coordinate (dtbpe)Rh Silylamides: CO2Bond Cleavage by a Rhodium(I) Disilylamide","Organometallics","2014","33","6","1416","","10.1021/om401130q","","","0.71075","MoKα","","0.0334","0.027","","","0.0544","0.0563","","","","","","1.103","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082754","10.9982","0.0013","16.2326","0.0019","18.993","0.002","94.414","0.007","95.937","0.007","90.425","0.006","3362.2","0.7","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H52 F3 O3 P2 Rh S -","- C31 H52 F3 O3 P2 Rh S -","- C124 H208 F12 O12 P8 Rh4 S4 -","4","2","","Whited, Matthew T.; Kosanovich, Alex J.; Janzen, Daron E.","Synthesis and Reactivity of Three-Coordinate (dtbpe)Rh Silylamides: CO2Bond Cleavage by a Rhodium(I) Disilylamide","Organometallics","2014","33","6","1416","","10.1021/om401130q","","","0.71075","MoKα","","0.0532","0.0373","","","0.0763","0.0825","","","","","","1.03","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082755","20.1192","0.0017","9.0097","0.0008","25.544","0.002","90","","108.396","0.008","90","","4393.7","0.7","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H80 N2 O2 P4 Rh2 -","- C38 H80 N2 O2 P4 Rh2 -","- C152 H320 N8 O8 P16 Rh8 -","4","0.5","","Whited, Matthew T.; Kosanovich, Alex J.; Janzen, Daron E.","Synthesis and Reactivity of Three-Coordinate (dtbpe)Rh Silylamides: CO2Bond Cleavage by a Rhodium(I) Disilylamide","Organometallics","2014","33","6","1416","","10.1021/om401130q","","","0.71075","MoKα","","0.0401","0.0302","","","0.059","0.0619","","","","","","1.049","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082756","9.6326","0.0002","15.266","0.0004","18.9224","0.0006","111.911","0.0012","93.5674","0.0012","106.429","0.0016","2431.76","0.12","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H73 O2 P2 Rh -","- C51 H73 O2 P2 Rh -","- C102 H146 O4 P4 Rh2 -","2","1","","Matsumoto, Teruyuki; Sasamori, Takahiro; Miyake, Hideaki; Tokitoh, Norihiro","Synthesis of a Rhodium Carbonyl Phosphaalkenyl‒Phosphido Complex: A Phosphorus Congener of Schiff Base Type N,N′-Chelating Monoanionic Ligands","Organometallics","2014","33","6","1341","","10.1021/om500065n","","","0.71073","MoKα","","0.0648","0.0383","","","0.0723","0.0777","","","","","","1.013","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4082757","11.5636","0.0002","18.7958","0.0003","18.2836","0.0004","90","","96.2974","0.0009","90","","3949.91","0.13","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H64 P2 -","- C43 H64 P2 -","- C172 H256 P8 -","4","1","","Matsumoto, Teruyuki; Sasamori, Takahiro; Miyake, Hideaki; Tokitoh, Norihiro","Synthesis of a Rhodium Carbonyl Phosphaalkenyl‒Phosphido Complex: A Phosphorus Congener of Schiff Base Type N,N′-Chelating Monoanionic Ligands","Organometallics","2014","33","6","1341","","10.1021/om500065n","","","0.71069","MoKα","","0.0993","0.0531","","","0.0968","0.1137","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082758","19.4122","0.0008","15.1788","0.0006","17.5342","0.0007","90","","109.355","0.002","90","","4874.5","0.3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C50 H43 B F20 Ge2 -","- C50 H43 B F20 Ge2 -","- C200 H172 B4 F80 Ge8 -","4","1","","Kordts, Natalie; Borner, Corinna; Panisch, Robin; Saak, Wolfgang; Müller, Thomas","Hydrogen-Bridged Digermyl and Germylsilyl Cations","Organometallics","2014","33","6","1492","","10.1021/om500154n","","","0.71073","MoKα","","0.0399","0.0322","","","0.0774","0.0804","","","","","","1.03","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082759","9.9717","0.0007","10.6664","0.0008","11.9804","0.0009","114.47","0.001","97.513","0.001","94.757","0.001","1136.5","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H60 O6 Zn2 -","- C54 H60 O6 Zn2 -","- C54 H60 O6 Zn2 -","1","0.5","","Minier, Mikael A.; Lippard, Stephen J.","Conversion Between Doubly and Triply Carboxylate-Bridged Di(ethylzinc) Complexes and Formation of the (μ-Oxo)tetrazinc Carboxylate [Zn4O(Ar(Tol)CO2)6].","Organometallics","2014","33","6","1462","1466","10.1021/om5000503","","","0.71073","MoKα","","0.0469","0.0314","","","0.062","0.0671","","","","","","1.037","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082760","15.384","0.002","19.152","0.003","23.061","0.003","68.151","0.002","89.974","0.002","82.9","0.002","6250.5","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C149.17 H134 O14 Zn4 -","- C149.176 H134 O14 Zn4 -","- C298.352 H268 O28 Zn8 -","2","1","","Minier, Mikael A.; Lippard, Stephen J.","Conversion Between Doubly and Triply Carboxylate-Bridged Di(ethylzinc) Complexes and Formation of the (μ-Oxo)tetrazinc Carboxylate [Zn4O(Ar(Tol)CO2)6].","Organometallics","2014","33","6","1462","1466","10.1021/om5000503","","","0.71073","MoKα","","0.1198","0.0656","","","0.145","0.1713","","","","","","1.043","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082761","24.9722","0.0006","24.9722","0.0006","14.2207","0.0006","90","","90","","120","","7680.1","0.4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C126.22 H102.18 O13 Zn4 -","- C126.36 H102.306 O13 Zn4 -","- C379.08 H306.918 O39 Zn12 -","3","0.166667","","Minier, Mikael A.; Lippard, Stephen J.","Conversion Between Doubly and Triply Carboxylate-Bridged Di(ethylzinc) Complexes and Formation of the (μ-Oxo)tetrazinc Carboxylate [Zn4O(Ar(Tol)CO2)6].","Organometallics","2014","33","6","1462","1466","10.1021/om5000503","","","0.71073","MoKα","","0.0904","0.0811","","","0.1866","0.1906","","","","","","1.258","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082762","15.1723","0.0005","11.5645","0.0004","21.2154","0.0008","90","","103.877","0.004","90","","3613.8","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H60 N8 O24 Re4 -","- C68 H60 N8 O24 Re4 -","- C136 H120 N16 O48 Re8 -","2","0.5","","Nagarajaprakash, R.; Divya, D.; Ramakrishna, Buthanapalli; Manimaran, Bala.","Synthesis and Spectroscopic and Structural Characterization of Oxamidato-Bridged Rhenium(I) Supramolecular Rectangles with Ester Functionalization","Organometallics","2014","33","6","1367","","10.1021/om400776m","","","0.7107","MoKα","","0.0677","0.0404","","","0.0555","0.0605","","","","","","0.945","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082763","8.5728","0.0002","12.9783","0.0003","17.8728","0.0004","95.6181","0.0019","95.4012","0.0019","102.252","0.002","1920.36","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H52 N8 O24 Re4 -","- C80 H52 N8 O24 Re4 -","- C80 H52 N8 O24 Re4 -","1","0.5","","Nagarajaprakash, R.; Divya, D.; Ramakrishna, Buthanapalli; Manimaran, Bala.","Synthesis and Spectroscopic and Structural Characterization of Oxamidato-Bridged Rhenium(I) Supramolecular Rectangles with Ester Functionalization","Organometallics","2014","33","6","1367","","10.1021/om400776m","","","0.7107","MoKα","","0.0792","0.0535","","","0.1151","0.1289","","","","","","1.059","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082764","13.4974","0.0006","20.1258","0.0008","13.4175","0.0006","90","","111.59","0.002","90","","3389.1","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 O Zr -","- C44 H44 O Zr -","- C176 H176 O4 Zr4 -","4","1","","Ebert, Hanna; Timmermann, Vanessa; Oswald, Tim; Saak, Wolfgang; Schmidtmann, Marc; Friedemann, Marion; Haase, Detlev; Beckhaus, Rüdiger","Synthesis and Reactivity of Bis(η5:η1-pentafulvene)zirconium Complexes","Organometallics","2014","33","6","1440","","10.1021/om500031s","","","0.71073","MoKα","","0.0568","0.0335","","","0.0712","0.0801","","","","","","1","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082765","10.9192","0.0005","11.8672","0.0005","16.4574","0.0007","71.842","0.002","81.563","0.002","63.229","0.002","1809.11","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H45 Cl2 Zr -","- C43 H45 Cl2 Zr -","- C86 H90 Cl4 Zr2 -","2","1","","Ebert, Hanna; Timmermann, Vanessa; Oswald, Tim; Saak, Wolfgang; Schmidtmann, Marc; Friedemann, Marion; Haase, Detlev; Beckhaus, Rüdiger","Synthesis and Reactivity of Bis(η5:η1-pentafulvene)zirconium Complexes","Organometallics","2014","33","6","1440","","10.1021/om500031s","","","0.71073","MoKα","","0.0472","0.0323","","","0.0777","0.0861","","","","","","1.033","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082766","14.4928","0.0004","19.5385","0.0006","17.1184","0.0005","90","","92.018","0.001","90","","4844.4","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H66.67 N2 Zr -","- C60 H66.66 N2 Zr -","- C240 H266.64 N8 Zr4 -","4","1","","Ebert, Hanna; Timmermann, Vanessa; Oswald, Tim; Saak, Wolfgang; Schmidtmann, Marc; Friedemann, Marion; Haase, Detlev; Beckhaus, Rüdiger","Synthesis and Reactivity of Bis(η5:η1-pentafulvene)zirconium Complexes","Organometallics","2014","33","6","1440","","10.1021/om500031s","","","0.71073","MoKα","","0.0829","0.0427","","","0.0862","0.0993","","","","","","1.007","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082767","10.4761","0.0006","10.5462","0.0006","20.3143","0.0011","85.164","0.004","75.949","0.004","70.229","0.004","2048.9","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H59 N Zr -","- C52 H59 N Zr -","- C104 H118 N2 Zr2 -","2","1","","Ebert, Hanna; Timmermann, Vanessa; Oswald, Tim; Saak, Wolfgang; Schmidtmann, Marc; Friedemann, Marion; Haase, Detlev; Beckhaus, Rüdiger","Synthesis and Reactivity of Bis(η5:η1-pentafulvene)zirconium Complexes","Organometallics","2014","33","6","1440","","10.1021/om500031s","","","0.71073","MoKα","","0.1469","0.0603","","","0.1023","0.1291","","","","","","0.972","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082768","14.8072","0.0004","15.4266","0.0004","25.8025","0.0006","86.719","0.001","74.709","0.001","73.988","0.001","5463.9","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C135 H149 O3 Zr3 -","- C135 H148 O3 Zr3 -","- C270 H296 O6 Zr6 -","2","1","","Ebert, Hanna; Timmermann, Vanessa; Oswald, Tim; Saak, Wolfgang; Schmidtmann, Marc; Friedemann, Marion; Haase, Detlev; Beckhaus, Rüdiger","Synthesis and Reactivity of Bis(η5:η1-pentafulvene)zirconium Complexes","Organometallics","2014","33","6","1440","","10.1021/om500031s","","","0.71073","MoKα","","0.0884","0.0491","","","0.1046","0.1199","","","","","","1.005","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082769","13.9758","0.0004","9.9089","0.0003","16.8678","0.0005","90","","93.212","0.002","90","","2332.26","0.12","153","2","153","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C58 H52 Cl2 N2 O Zr -","- C58 H52 Cl2 N2 O Zr -","- C116 H104 Cl4 N4 O2 Zr2 -","2","0.5","","Ebert, Hanna; Timmermann, Vanessa; Oswald, Tim; Saak, Wolfgang; Schmidtmann, Marc; Friedemann, Marion; Haase, Detlev; Beckhaus, Rüdiger","Synthesis and Reactivity of Bis(η5:η1-pentafulvene)zirconium Complexes","Organometallics","2014","33","6","1440","","10.1021/om500031s","","","0.71073","MoKα","","0.0654","0.0496","","","0.1181","0.1263","","","","","","1.064","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082770","24.2847","0.0008","8.1144","0.0002","23.1105","0.0007","90","","105.851","0.002","90","","4380.9","0.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56.75 H63.5 N2 Zr -","- C56.82 H63.58 N2 Zr -","- C227.28 H254.32 N8 Zr4 -","4","0.5","","Ebert, Hanna; Timmermann, Vanessa; Oswald, Tim; Saak, Wolfgang; Schmidtmann, Marc; Friedemann, Marion; Haase, Detlev; Beckhaus, Rüdiger","Synthesis and Reactivity of Bis(η5:η1-pentafulvene)zirconium Complexes","Organometallics","2014","33","6","1440","","10.1021/om500031s","","","0.71073","MoKα","","0.0475","0.037","","","0.086","0.0907","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082771","9.4733","0.0002","9.7913","0.0002","14.0972","0.0003","87.915","0.001","70.665","0.001","76.805","0.001","1200.18","0.04","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C66 H56 O2 Zr -","- C66 H56 O2 Zr -","- C66 H56 O2 Zr -","1","1","","Ebert, Hanna; Timmermann, Vanessa; Oswald, Tim; Saak, Wolfgang; Schmidtmann, Marc; Friedemann, Marion; Haase, Detlev; Beckhaus, Rüdiger","Synthesis and Reactivity of Bis(η5:η1-pentafulvene)zirconium Complexes","Organometallics","2014","33","6","1440","","10.1021/om500031s","","","0.71073","MoKα","","0.0422","0.0343","","","0.0673","0.07","","","","","","1.01","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082772","16.4159","0.0004","14.2516","0.0004","27.5706","0.0007","90","","93.453","0.001","90","","6438.5","0.3","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C80 H76 Zr2 -","- C80 H76 Zr2 -","- C320 H304 Zr8 -","4","0.5","","Ebert, Hanna; Timmermann, Vanessa; Oswald, Tim; Saak, Wolfgang; Schmidtmann, Marc; Friedemann, Marion; Haase, Detlev; Beckhaus, Rüdiger","Synthesis and Reactivity of Bis(η5:η1-pentafulvene)zirconium Complexes","Organometallics","2014","33","6","1440","","10.1021/om500031s","","","0.71073","MoKα","","0.0574","0.0374","","","0.0861","0.0955","","","","","","1.035","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082773","11.127","0.003","11.834","0.004","17.621","0.005","83.519","0.006","83.708","0.007","77.459","0.005","2241.8","1.2","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H72 Br0.11 Cl0.89 Li Mn O3 Si5 -","- C31 H72 Br0.1113 Cl0.8887 Li Mn O3 Si5 -","- C62 H144 Br0.2226 Cl1.7774 Li2 Mn2 O6 Si10 -","2","1","","Chadha, Preeti; Emslie, David J. H.; Jenkins, Hilary A.","Manganese(II) Alkyl/π-Allyl Complexes Resistant to Ligand Redistribution","Organometallics","2014","33","6","1467","","10.1021/om500101m","","","0.71073","MoKα","","0.083","0.0559","","","0.1457","0.1663","","","","","","1.059","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082774","16.2824","0.0013","17.8184","0.0014","23.3888","0.0019","90","","90.891","0.002","90","","6784.9","0.9","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H56 Mn O Si5 -","- C23 H56 Mn O Si5 -","- C184 H448 Mn8 O8 Si40 -","8","2","","Chadha, Preeti; Emslie, David J. H.; Jenkins, Hilary A.","Manganese(II) Alkyl/π-Allyl Complexes Resistant to Ligand Redistribution","Organometallics","2014","33","6","1467","","10.1021/om500101m","","","0.71073","MoKα","","0.1239","0.067","","","0.1293","0.1536","","","","","","1.024","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082775","9.6322","0.0005","17.8431","0.0009","10.1028","0.0005","90","","103.335","0.001","90","","1689.54","0.15","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H57 Mn P Si5 -","- C22 H57 Mn P Si5 -","- C44 H114 Mn2 P2 Si10 -","2","1","","Chadha, Preeti; Emslie, David J. H.; Jenkins, Hilary A.","Manganese(II) Alkyl/π-Allyl Complexes Resistant to Ligand Redistribution","Organometallics","2014","33","6","1467","","10.1021/om500101m","","","0.71073","MoKα","","0.0431","0.0388","","","0.0815","0.0843","","","","","","1.068","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082776","21.0601","0.0016","17.8101","0.0013","20.9688","0.0015","90","","115.714","0.002","90","","7086.2","0.9","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H61 Mn N Si5 -","- C26 H61 Mn N Si5 -","- C208 H488 Mn8 N8 Si40 -","8","2","","Chadha, Preeti; Emslie, David J. H.; Jenkins, Hilary A.","Manganese(II) Alkyl/π-Allyl Complexes Resistant to Ligand Redistribution","Organometallics","2014","33","6","1467","","10.1021/om500101m","","","0.71073","MoKα","","0.1173","0.0667","","","0.1442","0.1685","","","","","","1.015","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082777","11.764","0.0013","19.539","0.002","16.317","0.0018","90","","90.455","0.002","90","","3750.5","0.7","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H58 Mn N2 Si5 -","- C26 H58 Mn N2 Si5 -","- C104 H232 Mn4 N8 Si20 -","4","1","","Chadha, Preeti; Emslie, David J. H.; Jenkins, Hilary A.","Manganese(II) Alkyl/π-Allyl Complexes Resistant to Ligand Redistribution","Organometallics","2014","33","6","1467","","10.1021/om500101m","","","0.71073","MoKα","","0.0806","0.0677","","","0.2133","0.2316","","","","","","1.548","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082778","10.8775","0.001","11.6225","0.001","13.3833","0.0013","73.833","0.002","72.196","0.002","67.898","0.002","1466.7","0.2","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H48 Mn Si5 -","- C19 H48 Mn Si5 -","- C38 H96 Mn2 Si10 -","2","1","","Chadha, Preeti; Emslie, David J. H.; Jenkins, Hilary A.","Manganese(II) Alkyl/π-Allyl Complexes Resistant to Ligand Redistribution","Organometallics","2014","33","6","1467","","10.1021/om500101m","","","0.71073","MoKα","","0.0434","0.0318","","","0.0876","0.0963","","","","","","1.041","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082779","38.653","0.008","9.879","0.002","16.927","0.003","90","","110.59","0.03","90","","6051","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H59.25 Cl4 Co2 N6 -","- C54 H59.454 Cl4 Co2 N6 -","- C216 H237.816 Cl16 Co8 N24 -","4","0.5","","Xing, Qifeng; Zhao, Tong; Du, Shizhen; Yang, Wenhong; Liang, Tongling; Redshaw, Carl; Sun, Wen-Hua","Biphenyl-Bridged 6-(1-Aryliminoethyl)-2-iminopyridylcobalt Complexes: Synthesis, Characterization, and Ethylene Polymerization Behavior","Organometallics","2014","33","6","1382","","10.1021/om4010884","","","0.71073","MoKα","","","0.1032","","","0.2733","0.3045","","","","","","1.072","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082780","26.557","0.004","15.194","0.002","23.626","0.003","90","","108.783","0.002","90","","9026","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C166 H140 F24 Ir4 N16 O34 S8 Zn2 -","- C164 H132 F18 Ir4 N16 O28 S6 Zn2 -","- C328 H264 F36 Ir8 N32 O56 S12 Zn4 -","2","0.5","","Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin","Box-like Heterometallic Macrocycles Derived from Bis-Terpyridine Metalloligands","Organometallics","2014","33","5","1283","","10.1021/om500093p","","","0.71073","MoKα","","0.0948","0.0608","","","0.1631","0.1791","","","","","","0.969","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082781","17.5442","0.0018","26.968","0.003","25.609","0.003","90","","108.671","0.002","90","","11479","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C200 H238 F48 Ir4 N26 O22 Sb8 Zn2 -","- C172 H164 F48 Ir4 N20 O10 Sb8 Zn2 -","- C344 H328 F96 Ir8 N40 O20 Sb16 Zn4 -","2","0.5","","Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin","Box-like Heterometallic Macrocycles Derived from Bis-Terpyridine Metalloligands","Organometallics","2014","33","5","1283","","10.1021/om500093p","","","0.71073","MoKα","","0.1715","0.1152","","","0.3143","0.3425","","","","","","1.071","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082782","16.1642","0.0018","29.018","0.003","20.852","0.002","90","","102.507","0.002","90","","9548.6","1.7","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C176 H176 F24 N16 O42 Rh4 S8 Zn2 -","- C164 H132 F24 N16 O32 Rh4 S8 Zn2 -","- C328 H264 F48 N32 O64 Rh8 S16 Zn4 -","2","0.5","","Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin","Box-like Heterometallic Macrocycles Derived from Bis-Terpyridine Metalloligands","Organometallics","2014","33","5","1283","","10.1021/om500093p","","","0.71073","MoKα","","0.1238","0.1131","","","0.2823","0.2889","","","","","","1.086","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082783","26.365","0.005","15.193","0.003","23.581","0.005","90","","109.085","0.003","90","","8927","3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C164 H132 F24 Ir4 N16 Ni2 O32 S8 -","- C162 H132 F18 Ir4 N16 Ni2 O26 S6 -","- C324 H264 F36 Ir8 N32 Ni4 O52 S12 -","2","0.5","","Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin","Box-like Heterometallic Macrocycles Derived from Bis-Terpyridine Metalloligands","Organometallics","2014","33","5","1283","","10.1021/om500093p","","","0.71073","MoKα","","0.1049","0.0679","","","0.1743","0.1935","","","","","","1.011","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082784","16.164","0.002","28.838","0.004","20.845","0.003","90","","102.916","0.002","90","","9471","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C176 H176 F24 N16 Ni2 O42 Rh4 S8 -","- C164 H132 F24 N16 Ni2 O32 Rh4 S8 -","- C328 H264 F48 N32 Ni4 O64 Rh8 S16 -","2","0.5","","Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin","Box-like Heterometallic Macrocycles Derived from Bis-Terpyridine Metalloligands","Organometallics","2014","33","5","1283","","10.1021/om500093p","","","0.71073","MoKα","","0.1439","0.1246","","","0.3179","0.3301","","","","","","1.057","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082785","16.1245","0.0018","29.342","0.003","20.812","0.002","90","","104.224","0.002","90","","9544.8","1.7","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C176 H172 Cu2 F36 Ir4 N16 O24 P4 S4 -","- C168 H152 Cu2 F36 Ir4 N16 O22 P4 S4 -","- C336 H304 Cu4 F72 Ir8 N32 O44 P8 S8 -","2","0.5","","Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin","Box-like Heterometallic Macrocycles Derived from Bis-Terpyridine Metalloligands","Organometallics","2014","33","5","1283","","10.1021/om500093p","","","0.71073","MoKα","","0.089","0.0655","","","0.185","0.2007","","","","","","1.071","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082786","16.1031","0.0004","29.3824","0.0007","20.8407","0.0005","90","","104.076","0.001","90","","9564.7","0.4","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C180 H178 Cu2 F36 N18 O24 P4 Rh4 S4 -","- C168 H152 Cu2 F36 N16 O22 P4 Rh4 S4 -","- C336 H304 Cu4 F72 N32 O44 P8 Rh8 S8 -","2","0.5","","Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin","Box-like Heterometallic Macrocycles Derived from Bis-Terpyridine Metalloligands","Organometallics","2014","33","5","1283","","10.1021/om500093p","","","1.54178","CuKα","","0.1143","0.0905","","","0.2472","0.269","","","","","","1.055","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082787","53.4454","0.0009","8.8419","0.0002","33.77","0.0006","90","","112.029","0.001","90","","14793.3","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H66 Cl4 N10 Ni O9 Rh2 -","- C60 H58 Cl4 N8 Ni Rh2 -","- C480 H464 Cl32 N64 Ni8 Rh16 -","8","1","","Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin","Box-like Heterometallic Macrocycles Derived from Bis-Terpyridine Metalloligands","Organometallics","2014","33","5","1283","","10.1021/om500093p","","","1.54178","CuKα","","0.0605","0.0506","","","0.1426","0.1489","","","","","","1.066","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082788","14.2351","0.0008","9.4951","0.0006","8.4156","0.0005","90","","105.437","0.002","90","","1096.45","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Fe N S -","- C12 H13 Fe N S -","- C48 H52 Fe4 N4 S4 -","4","1","","Kienz, Torben; Förster, Christoph; Heinze, Katja","Impact of O →S Exchange in Ferrocenyl Amides on the Structure and Redox Chemistry","Organometallics","2014","33","18","4803","","10.1021/om500052k","","","0.71073","MoKα","","0.0465","0.0305","","","0.0709","0.0741","","","","","","0.957","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082789","16.7243","0.0013","8.8431","0.0007","41.601","0.003","90","","90.802","0.002","90","","6152","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H42 Fe N3 Si -","- C31 H42 Fe N3 Si -","- C248 H336 Fe8 N24 Si8 -","8","2","","Cartes, M. Ángeles; Rodr\?íguez-Delgado, Antonio; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan","Sequential Reduction and Alkyl Exchange Reactions of Bis(imino)pyridine Dialkyliron(II) with Trimethylaluminum","Organometallics","2014","33","7","1834","","10.1021/om500167r","","","0.71073","MoKα","","0.1329","0.0738","","","0.1906","0.2244","","","","","","1.053","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082790","32.654","0.002","14.3535","0.001","9.2139","0.0006","90","","105.766","0.001","90","","4156.1","0.5","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C44 H62 Fe N3 Si -","- C44 H62 Fe N3 Si -","- C176 H248 Fe4 N12 Si4 -","4","0.5","","Cartes, M. Ángeles; Rodr\?íguez-Delgado, Antonio; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan","Sequential Reduction and Alkyl Exchange Reactions of Bis(imino)pyridine Dialkyliron(II) with Trimethylaluminum","Organometallics","2014","33","7","1834","","10.1021/om500167r","","","0.71073","MoKα","","0.0842","0.0503","","","0.1246","0.1437","","","","","","1.019","","","","has coordinates,has disorder","178716","2020-10-21","18:00:00",""
"4082791","10.7021","0.0014","23.504","0.004","13.9848","0.0017","90","","103.522","0.004","90","","3420.3","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 Al N3 -","- C37 H53 Al N3 -","- C148 H212 Al4 N12 -","4","1","","Cartes, M. Ángeles; Rodr\?íguez-Delgado, Antonio; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan","Sequential Reduction and Alkyl Exchange Reactions of Bis(imino)pyridine Dialkyliron(II) with Trimethylaluminum","Organometallics","2014","33","7","1834","","10.1021/om500167r","","","0.71073","MoKα","","0.0838","0.0415","","","0.1286","0.1664","","","","","","0.998","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082792","11.7745","0.0005","12.8453","0.0003","12.8472","0.0006","87.549","0.003","71.069","0.004","64.034","0.003","1641.16","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Dichlorido(η^6^-p-cymene)(tioconazole)ruthenium(II)","Dichlorido(η^6^-p-isopropyltoluene)(1-(2-((2-chlorothiophen-3-yl)methoxy)- 2-(2,4-dichlorophenyl)ethyl)-1H-imidazole)ruthenium(II)","","- C26 H27 Cl5 N2 O Ru S -","- C26 H27 Cl5 N2 O Ru S -","- C52 H54 Cl10 N4 O2 Ru2 S2 -","2","1","","Kljun, Jakob; Scott, Antony James; Lanišnik Rižner, Tea; Keiser, Jennifer; Turel, Iztok","Synthesis and Biological Evaluation of Organoruthenium Complexes with Azole Antifungal Agents. First Crystal Structure of a Tioconazole Metal Complex","Organometallics","2014","33","7","1594","","10.1021/om401096y","","","0.71073","MoKα","","0.1228","0.0609","","","0.1238","0.1386","","","","","","0.898","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082793","10.4014","0.0004","12.1153","0.0004","22.9648","0.0007","82.524","0.003","89.344","0.003","80.14","0.003","2826.78","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Chlorido(η^6^-p-cymene)bis(clotrimazole)ruthenium(II) hexafluoridophosphate bisdichloromethane solvate","Chlorido(η^6^-p-isopropyltoluene)bis(1-((2-chlorophenyl)diphenylmethyl)-1H-imidazole) ruthenium(II) hexafluoridophosphate bisdichloromethane solvate","","- C56 H52 Cl7 F6 N4 P Ru -","- C56 H52 Cl7 F6 N4 P Ru -","- C112 H104 Cl14 F12 N8 P2 Ru2 -","2","1","","Kljun, Jakob; Scott, Antony James; Lanišnik Rižner, Tea; Keiser, Jennifer; Turel, Iztok","Synthesis and Biological Evaluation of Organoruthenium Complexes with Azole Antifungal Agents. First Crystal Structure of a Tioconazole Metal Complex","Organometallics","2014","33","7","1594","","10.1021/om401096y","","","0.71073","MoKα","","0.1473","0.0702","","","0.1553","0.1812","","","","","","0.942","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082794","10.0379","0.0002","9.8171","0.0002","16.6786","0.0003","90","","90.75","0.002","90","","1643.42","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tioconazole","1-(2-((2-chlorothiophen-3-yl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole","","- C16 H13 Cl3 N2 O S -","- C16 H13 Cl3 N2 O S -","- C64 H52 Cl12 N8 O4 S4 -","4","1","","Kljun, Jakob; Scott, Antony James; Lanišnik Rižner, Tea; Keiser, Jennifer; Turel, Iztok","Synthesis and Biological Evaluation of Organoruthenium Complexes with Azole Antifungal Agents. First Crystal Structure of a Tioconazole Metal Complex","Organometallics","2014","33","7","1594","","10.1021/om401096y","","","0.71073","MoKα","","0.0356","0.0284","","","0.0653","0.0697","","","","","","1.037","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082795","13.7442","0.0012","12.2936","0.0011","22.508","0.002","90","","92.952","0.001","90","","3798","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H61 Al O2 S2 -","- C39 H61 Al O2 S2 -","- C156 H244 Al4 O8 S8 -","4","1","","Nakata, Norio; Saito, Yusuke; Ishii, Akihiko","Neutral Methyl and Cationic Aluminum Complexes Supported by atrans-1,2-Cyclooctanediyl-Bridged [OSSO]-Type Bis(phenolato) Ligand: Synthesis, Structures, and Use in Catalysis for Propylene Oxide Polymerization","Organometallics","2014","33","7","1840","","10.1021/om5001698","","","0.71073","MoKα","","0.0569","0.0489","","","0.1267","0.1322","","","","","","1.026","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4082796","16.8797","0.0015","17.8986","0.0016","21.649","0.002","79.517","0.001","82.126","0.001","82.793","0.001","6336.8","1","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C135 H143 Al2 B2 F30 O4 S4 -","- C135 H143 Al2 B2 F30 O4 S4 -","- C270 H286 Al4 B4 F60 O8 S8 -","2","1","","Nakata, Norio; Saito, Yusuke; Ishii, Akihiko","Neutral Methyl and Cationic Aluminum Complexes Supported by atrans-1,2-Cyclooctanediyl-Bridged [OSSO]-Type Bis(phenolato) Ligand: Synthesis, Structures, and Use in Catalysis for Propylene Oxide Polymerization","Organometallics","2014","33","7","1840","","10.1021/om5001698","","","0.71073","MoKα","","0.0583","0.0452","","","0.1171","0.1254","","","","","","1.017","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4082797","16.7838","0.0015","9.1993","0.0008","18.4042","0.0016","90","","110.145","0.003","90","","2667.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 Co Sn2 -","- C26 H44 Co Sn2 -","- C104 H176 Co4 Sn8 -","4","1","","Arnold, Thomas; Braunschweig, Holger; Damme, Alexander; Hörl, Christian; Kramer, Thomas; Krummenacher, Ivo; Mager, Julian","Tin-Bridgedansa-Metallocenes of the Late Transition Metals Cobalt and Nickel: Preparation, Molecular and Electronic Structures, and Redox Chemistry","Organometallics","2014","33","7","1659","","10.1021/om401212n","","","0.71073","MoKα","","0.0273","0.0223","","","0.0542","0.057","","","","","","1.028","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082798","37.404","0.003","17.1777","0.0013","9.5402","0.0007","90","","90","","90","","6129.7","0.8","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H44 Co F6 P Sn2 -","- C26 H44 Co F6 P Sn2 -","- C208 H352 Co8 F48 P8 Sn16 -","8","2","","Arnold, Thomas; Braunschweig, Holger; Damme, Alexander; Hörl, Christian; Kramer, Thomas; Krummenacher, Ivo; Mager, Julian","Tin-Bridgedansa-Metallocenes of the Late Transition Metals Cobalt and Nickel: Preparation, Molecular and Electronic Structures, and Redox Chemistry","Organometallics","2014","33","7","1659","","10.1021/om401212n","","","0.71073","MoKα","","0.0387","0.0318","","","0.053","0.0551","","","","","","1.028","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082799","16.75","0.001","9.2037","0.0006","18.4955","0.0011","90","","110.252","0.003","90","","2675","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 Ni Sn2 -","- C26 H44 Ni Sn2 -","- C104 H176 Ni4 Sn8 -","4","1","","Arnold, Thomas; Braunschweig, Holger; Damme, Alexander; Hörl, Christian; Kramer, Thomas; Krummenacher, Ivo; Mager, Julian","Tin-Bridgedansa-Metallocenes of the Late Transition Metals Cobalt and Nickel: Preparation, Molecular and Electronic Structures, and Redox Chemistry","Organometallics","2014","33","7","1659","","10.1021/om401212n","","","0.71073","MoKα","","0.0174","0.0147","","","0.0357","0.0368","","","","","","1.053","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082800","16.5462","0.0011","11.9479","0.0008","18.1212","0.0013","90","","102.818","0.002","90","","3493.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 F6 Ni P Sn2 -","- C32 H50 F6 Ni P Sn2 -","- C128 H200 F24 Ni4 P4 Sn8 -","4","1","","Arnold, Thomas; Braunschweig, Holger; Damme, Alexander; Hörl, Christian; Kramer, Thomas; Krummenacher, Ivo; Mager, Julian","Tin-Bridgedansa-Metallocenes of the Late Transition Metals Cobalt and Nickel: Preparation, Molecular and Electronic Structures, and Redox Chemistry","Organometallics","2014","33","7","1659","","10.1021/om401212n","","","0.71073","MoKα","","0.0454","0.0291","","","0.0572","0.0624","","","","","","1.008","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082801","19.33688","0.00007","15.94563","0.00005","24.70487","0.0001","90","","101.274","0.0004","90","","7470.47","0.05","110","1","110","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H50 N6 Zr -","- C41 H50 N6 Zr -","- C328 H400 N48 Zr8 -","8","2","","Schweizer, Peter D.; Wadepohl, Hubert; Gade, Lutz H.","Zirconium and Hafnium Hydrazinediido Half-Sandwich Complexes: Synthesis and Reactivity","Organometallics","2014","33","7","1726","","10.1021/om500087s","","x-ray","0.7107","MoKα","","0.0425","0.0325","","","0.0738","0.0773","","","","","","1.065","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082802","19.2949","0.00017","15.89343","0.00012","24.70562","0.00019","90","","100.954","0.0008","90","","7438.24","0.11","110","1","110","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H50 Hf N6 -","- C41 H50 Hf N6 -","- C328 H400 Hf8 N48 -","8","2","","Schweizer, Peter D.; Wadepohl, Hubert; Gade, Lutz H.","Zirconium and Hafnium Hydrazinediido Half-Sandwich Complexes: Synthesis and Reactivity","Organometallics","2014","33","7","1726","","10.1021/om500087s","","x-ray","0.7107","MoKα","","0.0499","0.0354","","","0.0616","0.0656","","","","","","1.038","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082803","36.53978","0.00011","10.09021","0.00003","22.10604","0.00008","90","","99.1198","0.0003","90","","8047.34","0.05","110","1","110","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H58 Hf Li N5 Si2 -","- C40 H58 Hf Li N5 Si2 -","- C320 H464 Hf8 Li8 N40 Si16 -","8","1","","Schweizer, Peter D.; Wadepohl, Hubert; Gade, Lutz H.","Zirconium and Hafnium Hydrazinediido Half-Sandwich Complexes: Synthesis and Reactivity","Organometallics","2014","33","7","1726","","10.1021/om500087s","","x-ray","0.7107","MoKα","","0.022","0.0187","","","0.0421","0.0431","","","","","","1.059","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082804","10.88743","0.00008","13.16505","0.00012","16.92306","0.00014","80.1134","0.0007","74.5705","0.0007","67.8028","0.0008","2158.03","0.03","110","1","110","1","","","","","","","","4","P -1","-P 1","2","","","","- C48 H64 N8 Zr -","- C48 H64 N8 Zr -","- C96 H128 N16 Zr2 -","2","1","","Schweizer, Peter D.; Wadepohl, Hubert; Gade, Lutz H.","Zirconium and Hafnium Hydrazinediido Half-Sandwich Complexes: Synthesis and Reactivity","Organometallics","2014","33","7","1726","","10.1021/om500087s","","x-ray","0.7107","MoKα","","0.0405","0.0343","","","0.0801","0.0832","","","","","","1.066","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082805","10.97715","0.00014","18.92432","0.00018","22.6228","0.0002","69.7957","0.0009","83.7816","0.0009","89.9914","0.0009","4380.93","0.08","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H65 N7 Si2 Zr -","- C40 H65 N7 Si2 Zr -","- C160 H260 N28 Si8 Zr4 -","4","2","","Schweizer, Peter D.; Wadepohl, Hubert; Gade, Lutz H.","Zirconium and Hafnium Hydrazinediido Half-Sandwich Complexes: Synthesis and Reactivity","Organometallics","2014","33","7","1726","","10.1021/om500087s","","x-ray","1.5418","CuKα","","0.0582","0.0501","","","0.134","0.1415","","","","","","1.073","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082806","11.135","0.007","11.859","0.007","19.746","0.01","79.35","0.008","78.097","0.012","68.934","0.014","2363","2","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H66 N6 Si2 Zr -","- C49.5 H66 N6 Si2 Zr -","- C99 H132 N12 Si4 Zr2 -","2","1","","Schweizer, Peter D.; Wadepohl, Hubert; Gade, Lutz H.","Zirconium and Hafnium Hydrazinediido Half-Sandwich Complexes: Synthesis and Reactivity","Organometallics","2014","33","7","1726","","10.1021/om500087s","","x-ray","0.71073","MoKα","","0.0779","0.0455","","","0.0856","0.0989","","","","","","1.004","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082807","24.996","0.004","21.234","0.004","13.125","0.002","90","","101.817","0.003","90","","6819","2","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29.33 H25.33 N4 O0.33 -","- C29.3333 H25.3333 N4 O0.333333 -","- C352 H304 N48 O4 -","12","3","","Liu, Yang; Shi, Min; Deng, Liang","Iron(II) Dihydrocarbyls Supported by a Biphenyl-Linked Bis(benzimidazol-2-ylidene) Ligand: Syntheses and Characterization","Organometallics","2014","33","20","5660","","10.1021/om5000612","","","0.71073","MoKα","","0.1764","0.0645","","","0.1277","0.1735","","","","","","0.961","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082808","18.7178","0.0014","18.0198","0.0013","17.4275","0.0013","90","","114.146","0.001","90","","5363.8","0.7","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H23 Cl3 Fe N4 -","- C28.5 H23 Cl3 Fe N4 -","- C228 H184 Cl24 Fe8 N32 -","8","2","","Liu, Yang; Shi, Min; Deng, Liang","Iron(II) Dihydrocarbyls Supported by a Biphenyl-Linked Bis(benzimidazol-2-ylidene) Ligand: Syntheses and Characterization","Organometallics","2014","33","20","5660","","10.1021/om5000612","","","0.71073","MoKα","","0.0657","0.0408","","","0.1031","0.1188","","","","","","1.001","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082809","17.525","0.002","10.7437","0.0013","21.023","0.002","90","","114.5","0.002","90","","3601.9","0.7","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Fe N4 Si2 -","- C36 H44 Fe N4 Si2 -","- C144 H176 Fe4 N16 Si8 -","4","0.5","","Liu, Yang; Shi, Min; Deng, Liang","Iron(II) Dihydrocarbyls Supported by a Biphenyl-Linked Bis(benzimidazol-2-ylidene) Ligand: Syntheses and Characterization","Organometallics","2014","33","20","5660","","10.1021/om5000612","","","0.71073","MoKα","","0.0584","0.0375","","","0.0877","0.0955","","","","","","1.039","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082810","10.097","0.004","12.19","0.005","16.809","0.007","69.784","0.006","86.117","0.006","68.508","0.007","1802.3","1.3","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H36 Fe N4 -","- C42 H36 Fe N4 -","- C84 H72 Fe2 N8 -","2","1","","Liu, Yang; Shi, Min; Deng, Liang","Iron(II) Dihydrocarbyls Supported by a Biphenyl-Linked Bis(benzimidazol-2-ylidene) Ligand: Syntheses and Characterization","Organometallics","2014","33","20","5660","","10.1021/om5000612","","","0.71073","MoKα","","0.1913","0.0798","","","0.1902","0.2263","","","","","","0.971","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082811","10.4727","0.0011","13.376","0.0014","14.3109","0.0015","104.579","0.002","108.587","0.002","93.768","0.002","1815.5","0.3","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 Fe N4 -","- C46 H38 Fe N4 -","- C92 H76 Fe2 N8 -","2","1","","Liu, Yang; Shi, Min; Deng, Liang","Iron(II) Dihydrocarbyls Supported by a Biphenyl-Linked Bis(benzimidazol-2-ylidene) Ligand: Syntheses and Characterization","Organometallics","2014","33","20","5660","","10.1021/om5000612","","","0.71073","MoKα","","0.0856","0.0504","","","0.1316","0.1745","","","","","","1.016","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082812","11.9488","0.0012","14.1577","0.0015","15.4626","0.0016","87.72","0.002","75.315","0.002","75.767","0.002","2451.9","0.4","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 F12 Fe N4 O -","- C48 H38 F12 Fe N4 O -","- C96 H76 F24 Fe2 N8 O2 -","2","1","","Liu, Yang; Shi, Min; Deng, Liang","Iron(II) Dihydrocarbyls Supported by a Biphenyl-Linked Bis(benzimidazol-2-ylidene) Ligand: Syntheses and Characterization","Organometallics","2014","33","20","5660","","10.1021/om5000612","","","0.71073","MoKα","","0.0987","0.0689","","","0.2232","0.2513","","","","","","0.929","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082813","13.501","0.0015","13.501","0.0015","14.6888","0.0017","90","","90","","90","","2677.4","0.5","133","2","133","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C34 H32 Fe N4 -","- C34 H32 Fe N4 -","- C136 H128 Fe4 N16 -","4","0.5","","Liu, Yang; Shi, Min; Deng, Liang","Iron(II) Dihydrocarbyls Supported by a Biphenyl-Linked Bis(benzimidazol-2-ylidene) Ligand: Syntheses and Characterization","Organometallics","2014","33","20","5660","","10.1021/om5000612","","","0.71073","MoKα","","0.104","0.1017","","","0.2106","0.2118","","","","","","1.309","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082814","31.049","0.004","10.5366","0.0013","23.714","0.003","90","","130.499","0.005","90","","5899.4","1.4","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Fe N4 -","- C36 H36 Fe N4 -","- C288 H288 Fe8 N32 -","8","1","","Liu, Yang; Shi, Min; Deng, Liang","Iron(II) Dihydrocarbyls Supported by a Biphenyl-Linked Bis(benzimidazol-2-ylidene) Ligand: Syntheses and Characterization","Organometallics","2014","33","20","5660","","10.1021/om5000612","","","0.71073","MoKα","","0.1175","0.0525","","","0.1165","0.1547","","","","","","0.994","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082815","11.289","0.003","12.786","0.004","14.477","0.004","102.531","0.004","109.299","0.004","100.337","0.005","1852.3","0.9","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H43 Cl Fe N4 Si2 -","- C37 H43 Cl Fe N4 Si2 -","- C74 H86 Cl2 Fe2 N8 Si4 -","2","1","","Liu, Yang; Shi, Min; Deng, Liang","Iron(II) Dihydrocarbyls Supported by a Biphenyl-Linked Bis(benzimidazol-2-ylidene) Ligand: Syntheses and Characterization","Organometallics","2014","33","20","5660","","10.1021/om5000612","","","0.71073","MoKα","","0.0847","0.066","","","0.1788","0.2184","","","","","","1.048","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082816","11.3424","0.0003","14.3516","0.0004","20.473","0.0004","90","","96.798","0.002","90","","3309.2","0.14","103.3","0.2","103.3","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 F12 Fe2 S -","- C40 H24 F12 Fe2 S -","- C160 H96 F48 Fe8 S4 -","4","1","","Speck, J. Matthäus; Korb, Marcus; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Substituent Influence on Charge Transfer Interactions in α,α′-Diferrocenylthiophenes","Organometallics","2014","33","18","4813","","10.1021/om500062h","","","0.71073","MoKα","","0.0416","0.0333","","","0.0706","0.0736","","","","","","1.019","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082817","11.8158","0.0008","9.6816","0.0006","18.0526","0.001","90","","102.988","0.006","90","","2012.3","0.2","103.5","0.14","103.5","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe2 O2 S -","- C26 H20 Fe2 O2 S -","- C104 H80 Fe8 O8 S4 -","4","1","","Speck, J. Matthäus; Korb, Marcus; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Substituent Influence on Charge Transfer Interactions in α,α′-Diferrocenylthiophenes","Organometallics","2014","33","18","4813","","10.1021/om500062h","","","0.71073","MoKα","","0.0647","0.0559","","","0.144","0.1521","","","","","","1.018","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082818","11.9241","0.0002","9.744","0.0002","17.7181","0.0004","90","","103.282","0.002","90","","2003.57","0.07","109.9","0.14","109.9","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Fe2 N2 S -","- C26 H18 Fe2 N2 S -","- C104 H72 Fe8 N8 S4 -","4","1","","Speck, J. Matthäus; Korb, Marcus; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Substituent Influence on Charge Transfer Interactions in α,α′-Diferrocenylthiophenes","Organometallics","2014","33","18","4813","","10.1021/om500062h","","","0.71073","MoKα","","0.0291","0.0248","","","0.0613","0.0631","","","","","","1.032","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082819","14.4839","0.001","7.4506","0.0004","19.1676","0.0013","90","","104.881","0.007","90","","1999.1","0.2","105","6","105","6","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H22 Fe2 O2 S -","- C26 H22 Fe2 O2 S -","- C104 H88 Fe8 O8 S4 -","4","1","","Speck, J. Matthäus; Korb, Marcus; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Substituent Influence on Charge Transfer Interactions in α,α′-Diferrocenylthiophenes","Organometallics","2014","33","18","4813","","10.1021/om500062h","","","0.71073","MoKα","","0.0578","0.0459","","","0.1089","0.1133","","","","","","0.964","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082820","10.539","0.0005","12.7194","0.0006","19.9395","0.0007","93.121","0.003","104.227","0.003","108.078","0.004","2438.1","0.2","109.9","0.14","109.9","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C54 H32 B F20 Fe2 O3 S -","- C54 H32 B F20 Fe2 O3 S -","- C108 H64 B2 F40 Fe4 O6 S2 -","2","1","","Speck, J. Matthäus; Korb, Marcus; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Substituent Influence on Charge Transfer Interactions in α,α′-Diferrocenylthiophenes","Organometallics","2014","33","18","4813","","10.1021/om500062h","","","0.71073","MoKα","","0.0564","0.0455","","","0.0962","0.1004","","","","","","1.089","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082821","11.6039","0.0003","19.6397","0.0006","16.2593","0.0005","90","","107.351","0.003","90","","3536.83","0.19","109.95","0.1","109.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 F12 Fe2 O2 S -","- C42 H26 F12 Fe2 O2 S -","- C168 H104 F48 Fe8 O8 S4 -","4","1","","Speck, J. Matthäus; Korb, Marcus; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Substituent Influence on Charge Transfer Interactions in α,α′-Diferrocenylthiophenes","Organometallics","2014","33","18","4813","","10.1021/om500062h","","","1.54184","CuKα","","0.0449","0.043","","","0.1131","0.1153","","","","","","1.032","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082822","23.5771","0.0012","7.5787","0.0005","28.8018","0.0014","90","","90","","90","","5146.4","0.5","104.95","0.1","104.95","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H22 Cl2 Fe2 N2 O2 S -","- C29 H22 Cl2 Fe2 N2 O2 S -","- C232 H176 Cl16 Fe16 N16 O16 S8 -","8","1","","Speck, J. Matthäus; Korb, Marcus; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Substituent Influence on Charge Transfer Interactions in α,α′-Diferrocenylthiophenes","Organometallics","2014","33","18","4813","","10.1021/om500062h","","","1.54184","CuKα","","0.0949","0.0623","","","0.153","0.1789","","","","","","1.018","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082823","9.65","0.0002","20.1919","0.0004","12.0152","0.0003","90","","97.415","0.002","90","","2321.61","0.09","105.8","1","105.5","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br F6 Fe2 -","- C28 H19 Br F6 Fe2 -","- C112 H76 Br4 F24 Fe8 -","4","1","","Speck, J. Matthäus; Korb, Marcus; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Substituent Influence on Charge Transfer Interactions in α,α′-Diferrocenylthiophenes","Organometallics","2014","33","18","4813","","10.1021/om500062h","","","0.71073","MoKα","","0.0365","0.0311","","","0.0721","0.0741","","","","","","1.081","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082824","5.699","0.001","11.373","0.001","17.859","0.003","90","","94.07","0.02","90","","1154.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N4 S4 -","- C26 H16 N4 S4 -","- C52 H32 N8 S8 -","2","0.5","","Vajpayee, Vaishali; Bivaud, Sébastien; Goeb, Sébastien; Croué, Vincent; Allain, Magali; Popp, Brian V.; Garci, Amine; Therrien, Bruno; Sallé, Marc","Electron-Rich Arene‒Ruthenium Metalla-architectures Incorporating Tetrapyridyl‒Tetrathiafulvene Donor Moieties","Organometallics","2014","33","7","1651","","10.1021/om401142j","","x-ray","0.71073","MoKα","","","0.0438","","","","0.0861","","","","","","1.042","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082825","12.971","0.001","15.232","0.002","24.656","0.003","105.21","0.01","95.917","0.009","90.81","0.01","4671.4","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H78 F6 N10 O29 Ru4 S6 -","- C84 H76 F6 N10 O29 Ru4 S6 -","- C168 H152 F12 N20 O58 Ru8 S12 -","2","1","","Vajpayee, Vaishali; Bivaud, Sébastien; Goeb, Sébastien; Croué, Vincent; Allain, Magali; Popp, Brian V.; Garci, Amine; Therrien, Bruno; Sallé, Marc","Electron-Rich Arene‒Ruthenium Metalla-architectures Incorporating Tetrapyridyl‒Tetrathiafulvene Donor Moieties","Organometallics","2014","33","7","1651","","10.1021/om401142j","","x-ray","0.71073","MoKα","","0.2194","0.0909","","","0.1299","0.1722","","","","","","1.037","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082826","16.79","0.003","17.573","0.003","20.19","0.003","97.31","0.02","112.75","0.02","90.21","0.02","5439.9","1.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C107 F3 N10 O25 Ru4 S5 -","- C107 F3 N10 O25 Ru4 S5 -","- C214 F6 N20 O50 Ru8 S10 -","2","1","","Vajpayee, Vaishali; Bivaud, Sébastien; Goeb, Sébastien; Croué, Vincent; Allain, Magali; Popp, Brian V.; Garci, Amine; Therrien, Bruno; Sallé, Marc","Electron-Rich Arene‒Ruthenium Metalla-architectures Incorporating Tetrapyridyl‒Tetrathiafulvene Donor Moieties","Organometallics","2014","33","7","1651","","10.1021/om401142j","","x-ray","0.71073","MoKα","","0.3278","0.1397","","","0.3207","0.4447","","","","","","1.066","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082827","11.281","0.002","23.941","0.001","24.096","0.002","90","","92.083","0.009","90","","6503.5","1.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C119 N10 O22 Ru4 S4 -","- C119 N10 O22 Ru4 S4 -","- C238 N20 O44 Ru8 S8 -","2","0.5","","Vajpayee, Vaishali; Bivaud, Sébastien; Goeb, Sébastien; Croué, Vincent; Allain, Magali; Popp, Brian V.; Garci, Amine; Therrien, Bruno; Sallé, Marc","Electron-Rich Arene‒Ruthenium Metalla-architectures Incorporating Tetrapyridyl‒Tetrathiafulvene Donor Moieties","Organometallics","2014","33","7","1651","","10.1021/om401142j","","x-ray","0.71073","MoKα","","0.1714","0.0886","","","0.2313","0.318","","","","","","1.08","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082828","10.853","0.002","10.896","0.002","12.009","0.003","98.514","0.004","108.068","0.003","105.722","0.004","1257.1","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H29 Cl Ir N2 O2 -","- C27 H29 Cl Ir N2 O2 -","- C54 H58 Cl2 Ir2 N4 O4 -","2","1","","Casarrubios, Luis; Esteruelas, Miguel A.; Larramona, Carmen; Muntaner, Jaime G.; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A.","Chelated Assisted Metal-Mediated N‒H Bond Activation of β-Lactams: Preparation of Irida-, Rhoda-, Osma-, and Ruthenatrinems","Organometallics","2014","33","7","1820","","10.1021/om500162m","","","0.71073","MoKα","","0.0878","0.0546","","","0.1098","0.1193","","","","","","0.993","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082829","24.6159","0.0014","8.1783","0.0005","17.4801","0.001","90","","101.699","0.001","90","","3445.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Ir N2 O5 -","- C19 H14 Ir N2 O5 -","- C152 H112 Ir8 N16 O40 -","8","1","","Casarrubios, Luis; Esteruelas, Miguel A.; Larramona, Carmen; Muntaner, Jaime G.; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A.","Chelated Assisted Metal-Mediated N‒H Bond Activation of β-Lactams: Preparation of Irida-, Rhoda-, Osma-, and Ruthenatrinems","Organometallics","2014","33","7","1820","","10.1021/om500162m","","","0.71073","MoKα","","0.0456","0.0332","","","0.0491","0.0526","","","","","","1.127","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082830","18.5861","0.0008","12.3352","0.0005","15.5389","0.0007","90","","108.213","0.001","90","","3384","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 N2 O2 Os P2 -","- C32 H56 N2 O2 Os P2 -","- C128 H224 N8 O8 Os4 P8 -","4","1","","Casarrubios, Luis; Esteruelas, Miguel A.; Larramona, Carmen; Muntaner, Jaime G.; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A.","Chelated Assisted Metal-Mediated N‒H Bond Activation of β-Lactams: Preparation of Irida-, Rhoda-, Osma-, and Ruthenatrinems","Organometallics","2014","33","7","1820","","10.1021/om500162m","","","0.71073","MoKα","","0.0262","0.0205","","","0.043","0.0456","","","","","","1.052","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082831","14.4769","0.0007","10.6595","0.0005","23.1385","0.0012","90","","101.201","0.001","90","","3502.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 N2 O3 P2 Ru -","- C33 H54 N2 O3 P2 Ru -","- C132 H216 N8 O12 P8 Ru4 -","4","1","","Casarrubios, Luis; Esteruelas, Miguel A.; Larramona, Carmen; Muntaner, Jaime G.; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A.","Chelated Assisted Metal-Mediated N‒H Bond Activation of β-Lactams: Preparation of Irida-, Rhoda-, Osma-, and Ruthenatrinems","Organometallics","2014","33","7","1820","","10.1021/om500162m","","","0.71073","MoKα","","0.0573","0.0391","","","0.0735","0.0816","","","","","","1.056","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082832","15.0327","0.0007","11.5362","0.0003","16.0877","0.0007","90","","111.76","0.002","90","","2591.14","0.18","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H54 Cl O2 P3 Ru -","- C64 H54 Cl O2 P3 Ru -","- C128 H108 Cl2 O4 P6 Ru2 -","2","1","","Pingen, Dennis; Lutz, Martin; Vogt, Dieter","Mechanistic Study on the Ruthenium-Catalyzed Direct Amination of Alcohols","Organometallics","2014","33","7","1623","","10.1021/om4011998","","","0.71073","MoKα","","0.0255","0.0229","","","0.0533","0.0541","","","","","","1.029","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082833","11.3253","0.0003","12.3579","0.0005","20.3347","0.0005","106.649","0.002","102.056","0.001","90.409","0.002","2659.71","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61.2 H51.8 Cl2 O P3 Ru -","- C61.2 H51.8 Cl2 O P3 Ru -","- C122.4 H103.6 Cl4 O2 P6 Ru2 -","2","1","","Pingen, Dennis; Lutz, Martin; Vogt, Dieter","Mechanistic Study on the Ruthenium-Catalyzed Direct Amination of Alcohols","Organometallics","2014","33","7","1623","","10.1021/om4011998","","","0.71073","MoKα","","0.0536","0.0414","","","0.12","0.1264","","","","","","1.104","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082834","15.8109","0.0005","20.832","0.0007","11.5628","0.0005","90","","90","","90","","3808.5","0.2","100","1","100","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C75 H86 Cl10 Co2 N8 -","- C75 H86 Cl10 Co2 N8 -","- C150 H172 Cl20 Co4 N16 -","2","0.5","","Cho, Wonseok; Cho, Hyemin; Lee, Chun Sun; Lee, Bun Yeoul; Moon, Bongjin; Kang, Jahyo","Synthesis of New Bis(amidine)‒Cobalt Catalysts and Their Application to Styrene Polymerization","Organometallics","2014","33","7","1617","","10.1021/om401183d","","","0.71073","MoKα","","0.0894","0.0587","","","0.1136","0.1317","","","","","","1.039","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082835","9.4442","0.0002","26.1848","0.0007","12.848","0.0003","90","","97.641","0.001","90","","3149.03","0.13","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H41 Cl4 Co N4 O Si -","- C24 H41 Cl4 Co N4 O Si -","- C96 H164 Cl16 Co4 N16 O4 Si4 -","4","1","","Cook, Timothy D.; Fanwick, Phillip E.; Ren, Tong","Unsymmetric Mononuclear and Bridged Dinuclear CoIII(cyclam) Acetylides","Organometallics","2014","33","18","4621","","10.1021/om401231j","","","0.71073","MoKα","","0.0742","0.0513","","","0.1641","0.185","","","","","","1.127","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082836","11.9897","0.001","11.1484","0.0008","18.9252","0.0017","90","","98.07","0.007","90","","2504.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H74 Cl2 Co2 N8 O4 -","- C44 H74 Cl2 Co2 N8 O4 -","- C88 H148 Cl4 Co4 N16 O8 -","2","0.5","","Cook, Timothy D.; Fanwick, Phillip E.; Ren, Tong","Unsymmetric Mononuclear and Bridged Dinuclear CoIII(cyclam) Acetylides","Organometallics","2014","33","18","4621","","10.1021/om401231j","","","1.54178","CuKα","","0.0993","0.085","","","0.2318","0.2499","","","","","","1.034","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082837","23.2175","0.0008","23.2175","0.0008","12.6652","0.0005","90","","90","","90","","6827.2","0.4","193","2","193","2","","","","","","","synthesis as described","5","I -4","I -4","82","","","","- C30.52 H43.3 N2 O7.13 Pd -","- C30.52 H43.3 N2 O7.13 Pd -","- C244.16 H346.4 N16 O57.04 Pd8 -","8","1","","Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Teuma, Emmanuelle; Gómez, Montserrat","Heteropolymetallic Complexes Linked to a 9,10-Dihydroanthracenyl Frame. Ruthenium as Active Spectator for Palladium Reactivity","Organometallics","2014","33","7","1812","","10.1021/om5001502","","x-ray","0.71073","MoKα","","0.0224","0.0216","","","0.0631","0.0638","","","","","","1.112","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082838","10.2423","0.0005","10.4739","0.0004","10.7311","0.0005","99.827","0.003","102.098","0.003","93.374","0.003","1103.75","0.09","193","2","193","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C26 H34 N2 O2 -","- C26 H34 N2 O2 -","- C52 H68 N4 O4 -","2","1","","Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Teuma, Emmanuelle; Gómez, Montserrat","Heteropolymetallic Complexes Linked to a 9,10-Dihydroanthracenyl Frame. Ruthenium as Active Spectator for Palladium Reactivity","Organometallics","2014","33","7","1812","","10.1021/om5001502","","x-ray","0.71073","MoKα","","0.0923","0.0488","","","0.1279","0.1705","","","","","","1.13","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082839","12.7392","0.0009","13.2757","0.0009","13.3273","0.0009","112.596","0.003","93.527","0.003","103.225","0.003","1997.5","0.2","193","2","193","2","","","","","","","synthesis as described","9","P -1","-P 1","2","","","","- C34 H45 Cl2 F6 N2 O3 P Pd Ru -","- C34 H45 Cl2 F6 N2 O3 P Pd Ru -","- C68 H90 Cl4 F12 N4 O6 P2 Pd2 Ru2 -","2","1","","Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Teuma, Emmanuelle; Gómez, Montserrat","Heteropolymetallic Complexes Linked to a 9,10-Dihydroanthracenyl Frame. Ruthenium as Active Spectator for Palladium Reactivity","Organometallics","2014","33","7","1812","","10.1021/om5001502","","x-ray","0.71073","MoKα","","0.0761","0.0452","","","0.131","0.1697","","","","","","1.08","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082840","15.5176","0.0013","13.3813","0.0013","26.017","0.002","90","","99.598","0.004","90","","5326.7","0.8","193","2","193","2","","","","","","","synthesis as described","9","P 1 21/c 1","-P 2ybc","14","","","","- C45 H62 Cl2 F12 N2 O5 P2 Pd Ru2 -","- C45 H62 Cl2 F12 N2 O5 P2 Pd Ru2 -","- C180 H248 Cl8 F48 N8 O20 P8 Pd4 Ru8 -","4","1","","Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Teuma, Emmanuelle; Gómez, Montserrat","Heteropolymetallic Complexes Linked to a 9,10-Dihydroanthracenyl Frame. Ruthenium as Active Spectator for Palladium Reactivity","Organometallics","2014","33","7","1812","","10.1021/om5001502","","x-ray","0.71073","MoKα","","0.0786","0.0435","","","0.0862","0.1009","","","","","","1.027","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082841","17.8432","0.001","17.8432","0.001","16.0496","0.001","90","","90","","120","","4425.3","0.4","193","2","193","2","","","","","","","synthesis as described","6","P 65","P 65","170","","","","- C27 H38 Cl2 N2 O3 Pd -","- C27 H38 Cl2 N2 O3 Pd -","- C162 H228 Cl12 N12 O18 Pd6 -","6","1","","Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Teuma, Emmanuelle; Gómez, Montserrat","Heteropolymetallic Complexes Linked to a 9,10-Dihydroanthracenyl Frame. Ruthenium as Active Spectator for Palladium Reactivity","Organometallics","2014","33","7","1812","","10.1021/om5001502","","x-ray","0.71073","MoKα","","0.0845","0.0444","","","0.0896","0.1065","","","","","","1.058","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082842","42.983","0.002","10.0244","0.0004","15.7383","0.0008","90","","102.501","0.004","90","","6620.5","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H57 N4 Ti -","- C34 H50 N4 Ti -","- C272 H400 N32 Ti8 -","8","1","","Àrias, Òscar; Petrov, Alex R.; Bannenberg, Thomas; Altenburger, Kai; Arndt, Perdita; Jones, Peter G.; Rosenthal, Uwe; Tamm, Matthias","Titanocene and Zirconocene Complexes with Diaminoacetylenes: Formation of Unusual Metallacycles and Fulvene Complexes","Organometallics","2014","33","7","1774","","10.1021/om500121p","","","0.71073","MoKα","","0.06","0.0475","","","0.0967","0.1019","","","","","","1.114","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4082843","8.1846","0.0007","20.3198","0.0016","39.301","0.003","90","","90","","90","","6536.1","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H53 N4 Zr -","- C37 H53 N4 Zr -","- C296 H424 N32 Zr8 -","8","1","","Àrias, Òscar; Petrov, Alex R.; Bannenberg, Thomas; Altenburger, Kai; Arndt, Perdita; Jones, Peter G.; Rosenthal, Uwe; Tamm, Matthias","Titanocene and Zirconocene Complexes with Diaminoacetylenes: Formation of Unusual Metallacycles and Fulvene Complexes","Organometallics","2014","33","7","1774","","10.1021/om500121p","","","1.54184","CuKα","","0.0916","0.0647","","","0.1153","0.1245","","","","","","1.133","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082844","9.5997","0.0002","29.1028","0.0004","10.6135","0.0002","90","","102.455","0.002","90","","2895.4","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 N2 Ti -","- C32 H50 N2 Ti -","- C128 H200 N8 Ti4 -","4","1","","Àrias, Òscar; Petrov, Alex R.; Bannenberg, Thomas; Altenburger, Kai; Arndt, Perdita; Jones, Peter G.; Rosenthal, Uwe; Tamm, Matthias","Titanocene and Zirconocene Complexes with Diaminoacetylenes: Formation of Unusual Metallacycles and Fulvene Complexes","Organometallics","2014","33","7","1774","","10.1021/om500121p","","","0.71073","MoKα","","0.0377","0.0353","","","0.0847","0.0858","","","","","","1.131","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082845","9.7554","0.0002","29.1238","0.0005","10.8155","0.0002","90","","103.129","0.001","90","","2992.52","0.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 N2 Zr -","- C32 H50 N2 Zr -","- C128 H200 N8 Zr4 -","4","1","","Àrias, Òscar; Petrov, Alex R.; Bannenberg, Thomas; Altenburger, Kai; Arndt, Perdita; Jones, Peter G.; Rosenthal, Uwe; Tamm, Matthias","Titanocene and Zirconocene Complexes with Diaminoacetylenes: Formation of Unusual Metallacycles and Fulvene Complexes","Organometallics","2014","33","7","1774","","10.1021/om500121p","","","0.71073","MoKα","","0.0324","0.0262","","","0.0614","0.0641","","","","","","1.087","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082846","9.3404","0.0002","30.3129","0.0004","12.4741","0.0002","90","","93.136","0.002","90","","3526.56","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H114 Cl4 Mg2 N4 Zr2 -","- C64 H100 Cl4 Mg2 N4 Zr2 -","- C128 H200 Cl8 Mg4 N8 Zr4 -","2","0.5","","Àrias, Òscar; Petrov, Alex R.; Bannenberg, Thomas; Altenburger, Kai; Arndt, Perdita; Jones, Peter G.; Rosenthal, Uwe; Tamm, Matthias","Titanocene and Zirconocene Complexes with Diaminoacetylenes: Formation of Unusual Metallacycles and Fulvene Complexes","Organometallics","2014","33","7","1774","","10.1021/om500121p","","","1.54184","CuKα","","0.0262","0.0249","","","0.0618","0.0627","","","","","","1.053","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082847","21.5996","0.0009","11.7559","0.0003","14.5295","0.0006","90","","121.651","0.006","90","","3140.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H54 N2 Zr -","- C34 H54 N2 Zr -","- C136 H216 N8 Zr4 -","4","0.5","","Àrias, Òscar; Petrov, Alex R.; Bannenberg, Thomas; Altenburger, Kai; Arndt, Perdita; Jones, Peter G.; Rosenthal, Uwe; Tamm, Matthias","Titanocene and Zirconocene Complexes with Diaminoacetylenes: Formation of Unusual Metallacycles and Fulvene Complexes","Organometallics","2014","33","7","1774","","10.1021/om500121p","","","0.71073","MoKα","","0.0344","0.0275","","","0.0649","0.0685","","","","","","1.057","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4082848","10.2288","0.0007","11.7739","0.0007","14.2956","0.0008","90.487","0.005","110.835","0.006","114.542","0.006","1438.78","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H50 N2 Zr -","- C30 H50 N2 Zr -","- C60 H100 N4 Zr2 -","2","1","","Àrias, Òscar; Petrov, Alex R.; Bannenberg, Thomas; Altenburger, Kai; Arndt, Perdita; Jones, Peter G.; Rosenthal, Uwe; Tamm, Matthias","Titanocene and Zirconocene Complexes with Diaminoacetylenes: Formation of Unusual Metallacycles and Fulvene Complexes","Organometallics","2014","33","7","1774","","10.1021/om500121p","","","1.54184","CuKα","","0.0219","0.0218","","","0.0548","0.0549","","","","","","1.026","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082849","12.2762","0.0017","9.3391","0.0013","13.0612","0.0017","90","","112.294","0.005","90","","1385.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 O2 Ru Si2 -","- C11 H16 O2 Ru Si2 -","- C44 H64 O8 Ru4 Si8 -","4","1","","Braunschweig, Holger; Dellermann, Theresa; Dewhurst, Rian D.; Mies, Jan; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Vargas, Alfredo","StrainedansaHalf-Sandwich Complexes of Ruthenium and Osmium and a Non-Iron Metallopolymer by Ring-Opening Polymerization","Organometallics","2014","33","7","1536","","10.1021/om500111r","","","0.71073","MoKα","","0.0137","0.0131","","","0.0355","0.0359","","","","","","1.074","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082850","8.973","0.0007","9.5189","0.0007","16.3683","0.0012","105.343","0.002","90.936","0.003","101.211","0.002","1319.11","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H40 O2 Os Sn2 -","- C23 H40 O2 Os Sn2 -","- C46 H80 O4 Os2 Sn4 -","2","1","","Braunschweig, Holger; Dellermann, Theresa; Dewhurst, Rian D.; Mies, Jan; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Vargas, Alfredo","StrainedansaHalf-Sandwich Complexes of Ruthenium and Osmium and a Non-Iron Metallopolymer by Ring-Opening Polymerization","Organometallics","2014","33","7","1536","","10.1021/om500111r","","","0.71073","MoKα","","0.0384","0.0311","","","0.0605","0.0627","","","","","","0.987","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082851","11.3014","0.0002","18.2532","0.0003","27.83","0.0005","90","","92.879","0.001","90","","5733.71","0.17","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H46 Al N O2 Si2 -","- C62 H46 Al N O2 Si2 -","- C248 H184 Al4 N4 O8 Si8 -","4","1","","Klitzke, Joice S.; Roisnel, Thierry; Kirillov, Evgeny; Casagrande, Osvaldo de L.; Carpentier, Jean-François","DiscreteO-Lactate and β-Alkoxybutyrate Aluminum Pyridine‒Bis(naphtholate) Complexes: Models for Mechanistic Investigations in the Ring-Opening Polymerization of Lactides and β-Lactones","Organometallics","2014","33","20","5693","","10.1021/om401214q","","x-ray","0.71073","MoKα","","0.0727","0.0534","","","0.1595","0.1704","","","","","","1.079","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082852","12.9683","0.0008","28.342","0.0018","18.6572","0.0011","90","","109.358","0.004","90","","6469.7","0.7","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H54 Al N O5 Si2 -","- C67 H54 Al N O5 Si2 -","- C268 H216 Al4 N4 O20 Si8 -","4","1","","Klitzke, Joice S.; Roisnel, Thierry; Kirillov, Evgeny; Casagrande, Osvaldo de L.; Carpentier, Jean-François","DiscreteO-Lactate and β-Alkoxybutyrate Aluminum Pyridine‒Bis(naphtholate) Complexes: Models for Mechanistic Investigations in the Ring-Opening Polymerization of Lactides and β-Lactones","Organometallics","2014","33","20","5693","","10.1021/om401214q","","x-ray","0.71073","MoKα","","0.2685","0.1623","","","0.422","0.4568","","","","","","1.187","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082853","12.525","0.0004","14.0401","0.0006","18.6406","0.0008","91.53","0.002","96.906","0.002","99.486","0.001","3206.1","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C66 H52 Al N O5 Si2 -","- C66 H52 Al N O5 Si2 -","- C132 H104 Al2 N2 O10 Si4 -","2","1","","Klitzke, Joice S.; Roisnel, Thierry; Kirillov, Evgeny; Casagrande, Osvaldo de L.; Carpentier, Jean-François","DiscreteO-Lactate and β-Alkoxybutyrate Aluminum Pyridine‒Bis(naphtholate) Complexes: Models for Mechanistic Investigations in the Ring-Opening Polymerization of Lactides and β-Lactones","Organometallics","2014","33","20","5693","","10.1021/om401214q","","x-ray","0.71073","MoKα","","0.1068","0.0753","","","0.198","0.2117","","","","","","1.081","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082854","12.613","0.005","14.577","0.006","19.572","0.007","79.851","0.018","72.166","0.015","85.08","0.016","3370","2","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C67 H51 Al F3 N O5 Si2 -","- C67 H51 Al F3 N O5 Si2 -","- C134 H102 Al2 F6 N2 O10 Si4 -","2","1","","Klitzke, Joice S.; Roisnel, Thierry; Kirillov, Evgeny; Casagrande, Osvaldo de L.; Carpentier, Jean-François","DiscreteO-Lactate and β-Alkoxybutyrate Aluminum Pyridine‒Bis(naphtholate) Complexes: Models for Mechanistic Investigations in the Ring-Opening Polymerization of Lactides and β-Lactones","Organometallics","2014","33","20","5693","","10.1021/om401214q","","x-ray","0.71073","MoKα","","0.115","0.0826","","","0.2515","0.2743","","","","","","1.12","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082855","14.8937","0.0007","17.9595","0.0006","22.5016","0.0008","93.809","0.003","95.077","0.003","92.866","0.003","5972.5","0.4","291","","291","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37 Cl N4 O Pt -","- C32 H37 Cl N4 O Pt -","- C256 H296 Cl8 N32 O8 Pt8 -","8","4","","Wang, Zhao; Sun, Zheming; Hao, Xin-Qi; Niu, Jun-Long; Wei, Donghui; Tu, Tao; Gong, Jun-Fang; Song, Mao-Ping","Neutral and Cationic NCN Pincer Platinum(II) Complexes with 1,3-Bis(benzimidazol-2′-yl)benzene Ligands: Synthesis, Structures, and Their Photophysical Properties","Organometallics","2014","33","7","1563","","10.1021/om400946n","","","0.7107","MoKα","","0.072","0.0446","","","0.0719","0.0812","","","","","","1.057","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082856","17.4907","0.0018","16.8834","0.0017","15.1949","0.0015","90","","111.57","0.002","90","","4172.9","0.7","291","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H61 Cl N4 O Pt -","- C44 H61 Cl N4 O Pt -","- C176 H244 Cl4 N16 O4 Pt4 -","4","1","","Wang, Zhao; Sun, Zheming; Hao, Xin-Qi; Niu, Jun-Long; Wei, Donghui; Tu, Tao; Gong, Jun-Fang; Song, Mao-Ping","Neutral and Cationic NCN Pincer Platinum(II) Complexes with 1,3-Bis(benzimidazol-2′-yl)benzene Ligands: Synthesis, Structures, and Their Photophysical Properties","Organometallics","2014","33","7","1563","","10.1021/om400946n","","","0.71073","MoKα","","0.0508","0.0298","","","0.0724","0.085","","","","","","1.082","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082857","10.3147","0.0004","11.7051","0.0004","15.0053","0.0004","105.88","0.003","95.976","0.003","104.472","0.003","1658.04","0.11","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H33 Cl N4 O3 Pt -","- C38 H33 Cl N4 O3 Pt -","- C76 H66 Cl2 N8 O6 Pt2 -","2","1","","Wang, Zhao; Sun, Zheming; Hao, Xin-Qi; Niu, Jun-Long; Wei, Donghui; Tu, Tao; Gong, Jun-Fang; Song, Mao-Ping","Neutral and Cationic NCN Pincer Platinum(II) Complexes with 1,3-Bis(benzimidazol-2′-yl)benzene Ligands: Synthesis, Structures, and Their Photophysical Properties","Organometallics","2014","33","7","1563","","10.1021/om400946n","","","0.7107","MoKα","","0.036","0.0282","","","0.0534","0.0565","","","","","","1.035","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082858","8.9543","0.0005","12.7362","0.0009","13.4246","0.0009","93.782","0.006","92.02","0.005","90.925","0.005","1526.45","0.17","291.15","","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37 I N4 O Pt -","- C32 H37 I N4 O Pt -","- C64 H74 I2 N8 O2 Pt2 -","2","1","","Wang, Zhao; Sun, Zheming; Hao, Xin-Qi; Niu, Jun-Long; Wei, Donghui; Tu, Tao; Gong, Jun-Fang; Song, Mao-Ping","Neutral and Cationic NCN Pincer Platinum(II) Complexes with 1,3-Bis(benzimidazol-2′-yl)benzene Ligands: Synthesis, Structures, and Their Photophysical Properties","Organometallics","2014","33","7","1563","","10.1021/om400946n","","","1.5418","CuKα","","0.0528","0.0444","","","0.1151","0.1249","","","","","","1.03","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082859","15.5202","0.0007","12.8118","0.0005","18.0574","0.0009","90","","97.856","0.005","90","","3556.9","0.3","291","2","291","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H44 N4 O2 Pt -","- C41 H44 N4 O2 Pt -","- C164 H176 N16 O8 Pt4 -","4","1","","Wang, Zhao; Sun, Zheming; Hao, Xin-Qi; Niu, Jun-Long; Wei, Donghui; Tu, Tao; Gong, Jun-Fang; Song, Mao-Ping","Neutral and Cationic NCN Pincer Platinum(II) Complexes with 1,3-Bis(benzimidazol-2′-yl)benzene Ligands: Synthesis, Structures, and Their Photophysical Properties","Organometallics","2014","33","7","1563","","10.1021/om400946n","","","0.7107","MoKα","","0.0456","0.0318","","","0.0664","0.0709","","","","","","1.077","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082860","15.97","0.0003","27.9808","0.0006","19.414","0.0003","90","","94.9563","0.0016","90","","8642.8","0.3","291","2","291.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H47 F3 N6 O4 Pt S -","- C40 H44 F3 N6 O4 Pt S -","- C320 H352 F24 N48 O32 Pt8 S8 -","8","2","","Wang, Zhao; Sun, Zheming; Hao, Xin-Qi; Niu, Jun-Long; Wei, Donghui; Tu, Tao; Gong, Jun-Fang; Song, Mao-Ping","Neutral and Cationic NCN Pincer Platinum(II) Complexes with 1,3-Bis(benzimidazol-2′-yl)benzene Ligands: Synthesis, Structures, and Their Photophysical Properties","Organometallics","2014","33","7","1563","","10.1021/om400946n","","","1.5418","CuKα","","0.0786","0.0521","","","0.1374","0.1519","","","","","","1.074","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082861","9.3237","0.0002","23.0788","0.0004","9.8946","0.0002","90","","94.523","0.001","90","","2122.49","0.07","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 N P Pt Si -","- C16 H26 N P Pt Si -","- C64 H104 N4 P4 Pt4 Si4 -","4","1","","Okuda, Yasuhiro; Ishiguro, Yuya; Mori, Seiji; Nakajima, Kiyohiko; Nishihara, Yasushi","Experimental and Theoretical Studies on the Platinum-Mediated Selective C(sp)‒Si Bond Cleavage of Alkynylsilanes","Organometallics","2014","33","7","1878","","10.1021/om5002588","","","0.71075","MoKα","","0.0376","0.032","","","0.0813","0.0839","","","","","","1.172","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082862","10.0965","0.0004","17.5781","0.0008","16.768","0.0007","90","","104.736","0.001","90","","2878.1","0.2","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 N P Pt Si -","- C27 H42 N P Pt Si -","- C108 H168 N4 P4 Pt4 Si4 -","4","1","","Okuda, Yasuhiro; Ishiguro, Yuya; Mori, Seiji; Nakajima, Kiyohiko; Nishihara, Yasushi","Experimental and Theoretical Studies on the Platinum-Mediated Selective C(sp)‒Si Bond Cleavage of Alkynylsilanes","Organometallics","2014","33","7","1878","","10.1021/om5002588","","","0.71075","MoKα","","0.0615","0.0398","","","0.0726","0.0787","","","","","","1.049","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082863","16.017","0.0007","9.5265","0.0004","18.5407","0.0008","90","","106.484","0.001","90","","2712.8","0.2","298","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C24 H38 N P Pt S Si -","- C24 H35 N P Pt S Si -","- C96 H140 N4 P4 Pt4 S4 Si4 -","4","1","","Okuda, Yasuhiro; Ishiguro, Yuya; Mori, Seiji; Nakajima, Kiyohiko; Nishihara, Yasushi","Experimental and Theoretical Studies on the Platinum-Mediated Selective C(sp)‒Si Bond Cleavage of Alkynylsilanes","Organometallics","2014","33","7","1878","","10.1021/om5002588","","","0.71075","MoKα","","0.0702","0.0566","","","0.1435","0.1544","","","","","","1.007","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082864","11.7246","0.0005","14.8752","0.0007","14.821","0.0007","90","","96.801","0.001","90","","2566.7","0.2","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 N O P Pt Si -","- C22 H40 N O P Pt Si -","- C88 H160 N4 O4 P4 Pt4 Si4 -","4","1","","Okuda, Yasuhiro; Ishiguro, Yuya; Mori, Seiji; Nakajima, Kiyohiko; Nishihara, Yasushi","Experimental and Theoretical Studies on the Platinum-Mediated Selective C(sp)‒Si Bond Cleavage of Alkynylsilanes","Organometallics","2014","33","7","1878","","10.1021/om5002588","","","0.71075","MoKα","","0.0387","0.0303","","","0.0703","0.0739","","","","","","1.06","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082865","13.0204","0.0008","14.963","0.0009","21.2517","0.001","90","","119.971","0.003","90","","3586.7","0.4","298","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Cl2 N3 O Pd -","- C36 H45 Cl2 N3 O Pd -","- C144 H180 Cl8 N12 O4 Pd4 -","4","1","","Huang, Pei; Wang, Yi-Xiang; Yu, Hong-Fei; Lu, Jian-Mei","N-Heterocyclic Carbene‒Palladium(II)‒4,5-Dihydrooxazole Complexes: Synthesis and Catalytic Activity toward Amination of Aryl Chlorides","Organometallics","2014","33","7","1587","","10.1021/om401028d","","","0.71073","MoKα","","0.0349","0.0278","","","0.0887","0.0995","","","","","","1.075","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082866","13.121","0.012","15.052","0.013","18.878","0.017","90","","99.091","0.013","90","","3682","6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 Cl2 N3 O Pd -","- C37 H47 Cl2 N3 O Pd -","- C148 H188 Cl8 N12 O4 Pd4 -","4","1","","Huang, Pei; Wang, Yi-Xiang; Yu, Hong-Fei; Lu, Jian-Mei","N-Heterocyclic Carbene‒Palladium(II)‒4,5-Dihydrooxazole Complexes: Synthesis and Catalytic Activity toward Amination of Aryl Chlorides","Organometallics","2014","33","7","1587","","10.1021/om401028d","","","0.71073","MoKα","","0.0533","0.035","","","0.104","0.1324","","","","","","1.06","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082867","14.062","0.003","15.879","0.004","20.468","0.006","89.243","0.009","71.201","0.007","67.55","0.007","3967","1.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Fe O4 Si2 -","- C48 H38 Fe O4 Si2 -","- C192 H152 Fe4 O16 Si8 -","4","2","","Kamitani, Masahiro; Nishiguchi, Yoshinori; Tada, Ryosuke; Itazaki, Masumi; Nakazawa, Hiroshi","Synthesis of Fe‒H/Si‒H and Fe‒H/Ge‒H Bifunctional Complexes and Their Catalytic Hydrogenation Reactions toward Nonpolar Unsaturated Organic Molecules","Organometallics","2014","33","7","1532","","10.1021/om5000562","","","0.7107","MoKα","","0.0916","0.0591","","","0.1361","0.1485","","","","","","1.061","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082868","13.7402","0.0005","18.281","0.0001","19.4265","0.0005","73.409","0.005","90.112","0.008","78.748","0.006","4578","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C52.25 H48.5 Cl0.5 Fe N O3 Si2 -","- C52.25 H41 Cl0.5 Fe N O3 Si2 -","- C209 H164 Cl2 Fe4 N4 O12 Si8 -","4","2","","Kamitani, Masahiro; Nishiguchi, Yoshinori; Tada, Ryosuke; Itazaki, Masumi; Nakazawa, Hiroshi","Synthesis of Fe‒H/Si‒H and Fe‒H/Ge‒H Bifunctional Complexes and Their Catalytic Hydrogenation Reactions toward Nonpolar Unsaturated Organic Molecules","Organometallics","2014","33","7","1532","","10.1021/om5000562","","","0.7107","MoKα","","0.1101","0.0835","","","0.1966","0.2121","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082869","15.641","0.003","18.739","0.004","17.401","0.003","90","","94.652","0.003","90","","5083.4","1.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H62 Fe O3 Si3 -","- C56 H62 Fe O3 Si3 -","- C224 H248 Fe4 O12 Si12 -","4","1","","Kamitani, Masahiro; Nishiguchi, Yoshinori; Tada, Ryosuke; Itazaki, Masumi; Nakazawa, Hiroshi","Synthesis of Fe‒H/Si‒H and Fe‒H/Ge‒H Bifunctional Complexes and Their Catalytic Hydrogenation Reactions toward Nonpolar Unsaturated Organic Molecules","Organometallics","2014","33","7","1532","","10.1021/om5000562","","","0.7107","MoKα","","0.0751","0.0658","","","0.1546","0.1596","","","","","","1.161","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082870","19.104","0.01","10.028","0.005","26.13","0.013","90","","110.315","0.006","90","","4694","4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H52 Fe O4 Si4 -","- C51 H52 Fe O4 Si4 -","- C204 H208 Fe4 O16 Si16 -","4","1","","Kamitani, Masahiro; Nishiguchi, Yoshinori; Tada, Ryosuke; Itazaki, Masumi; Nakazawa, Hiroshi","Synthesis of Fe‒H/Si‒H and Fe‒H/Ge‒H Bifunctional Complexes and Their Catalytic Hydrogenation Reactions toward Nonpolar Unsaturated Organic Molecules","Organometallics","2014","33","7","1532","","10.1021/om5000562","","","0.710747","MoKα","","0.0671","0.0529","","","0.1153","0.1234","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082871","10.5528","0.0005","10.2258","0.0005","18.2281","0.0009","90","","94.15","0.002","90","","1961.85","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PDJMK1","","","- C22 H22 Cl P Pd -","- C22 H22 Cl P Pd -","- C88 H88 Cl4 P4 Pd4 -","4","1","","Katcher, Matthew H.; Norrby, Per-Ola; Doyle, Abigail G.","Mechanistic Investigations of Palladium-Catalyzed Allylic Fluorination","Organometallics","2014","33","9","2121","","10.1021/om401240p","","","0.71073","","","0.0261","0.0219","","","0.0537","0.0558","","","","","","1.094","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082872","8.064","0.006","17.978","0.011","13.306","0.009","90","","96.333","0.019","90","","1917","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","MK162","","","- C23 H21 O2 P Pd -","- C23 H21 O2 P Pd -","- C92 H84 O8 P4 Pd4 -","4","1","","Katcher, Matthew H.; Norrby, Per-Ola; Doyle, Abigail G.","Mechanistic Investigations of Palladium-Catalyzed Allylic Fluorination","Organometallics","2014","33","9","2121","","10.1021/om401240p","","","0.71073","","","0.0358","0.0262","","","0.0639","0.0726","","","","","","1.097","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082873","9.2594","0.0005","16.0522","0.0009","12.3959","0.0007","90","","110.711","0.002","90","","1723.38","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H38 Cl2 F4 Pt2 S2 -","- C33 H38 Cl2 F4 Pt2 S2 -","- C66 H76 Cl4 F8 Pt4 S4 -","2","1","","Escolà, Anna; Crespo, Margarita; Quirante, Josefina; Cortés, Roldán; Jayaraman, Anusha; Badía, Josefa; Baldomà, Laura; Calvet, Teresa; Font-Bardía, Mercè; Cascante, Marta","Exploring the Scope of [Pt2(4-FC6H4)4(μ-SEt2)2] as a Precursor for New Organometallic Platinum(II) and Platinum(IV) Antitumor Agents","Organometallics","2014","33","7","1740","","10.1021/om5000908","","","0.71073","MoKα","","0.0238","0.0235","","","0.0536","0.0539","","","","","","1.052","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082874","10.17","0.004","12.456","0.003","17.525","0.006","90","","97.11","0.02","90","","2203","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl F3 N2 Pt -","- C23 H22 Cl F3 N2 Pt -","- C92 H88 Cl4 F12 N8 Pt4 -","4","1","","Escolà, Anna; Crespo, Margarita; Quirante, Josefina; Cortés, Roldán; Jayaraman, Anusha; Badía, Josefa; Baldomà, Laura; Calvet, Teresa; Font-Bardía, Mercè; Cascante, Marta","Exploring the Scope of [Pt2(4-FC6H4)4(μ-SEt2)2] as a Precursor for New Organometallic Platinum(II) and Platinum(IV) Antitumor Agents","Organometallics","2014","33","7","1740","","10.1021/om5000908","","","0.71073","MoKα","","0.0503","0.0371","","","0.1045","0.1153","","","","","","1.12","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082875","7.6225","0.0006","33.05","0.003","8.664","0.0007","90","","106.237","0.002","90","","2095.6","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Br F2 N2 Pt -","- C23 H23 Br F2 N2 Pt -","- C92 H92 Br4 F8 N8 Pt4 -","4","1","","Escolà, Anna; Crespo, Margarita; Quirante, Josefina; Cortés, Roldán; Jayaraman, Anusha; Badía, Josefa; Baldomà, Laura; Calvet, Teresa; Font-Bardía, Mercè; Cascante, Marta","Exploring the Scope of [Pt2(4-FC6H4)4(μ-SEt2)2] as a Precursor for New Organometallic Platinum(II) and Platinum(IV) Antitumor Agents","Organometallics","2014","33","7","1740","","10.1021/om5000908","","","0.71073","MoKα","","0.0318","0.0315","","","0.0715","0.0716","","","","","","1.498","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082876","10.4586","0.0003","14.3806","0.0004","10.5502","0.0005","90","","90","","90","","1586.76","0.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H17 Cl F2 N2 Pt -","- C17 H17 Cl F2 N2 Pt -","- C68 H68 Cl4 F8 N8 Pt4 -","4","0.5","","Escolà, Anna; Crespo, Margarita; Quirante, Josefina; Cortés, Roldán; Jayaraman, Anusha; Badía, Josefa; Baldomà, Laura; Calvet, Teresa; Font-Bardía, Mercè; Cascante, Marta","Exploring the Scope of [Pt2(4-FC6H4)4(μ-SEt2)2] as a Precursor for New Organometallic Platinum(II) and Platinum(IV) Antitumor Agents","Organometallics","2014","33","7","1740","","10.1021/om5000908","","","0.71073","MoKα","","0.053","0.0425","","","0.1659","0.1716","","","","","","1.091","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082877","26.364","0.007","40.635","0.011","41.437","0.01","90","","90","","90","","44392","2","153","2","153","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C149 H140 Cl6 F24 N2 P16 Pt6 -","- C149 H140 Cl6 F24 N2 P16 Pt6 -","- C1192 H1120 Cl48 F192 N16 P128 Pt48 -","8","1","","Goto, Eri; Begum, Rowshan Ara; Ueno, Chiaki; Hosokawa, Aya; Yamamoto, Chie; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Kajiwara, Takashi; Tanase, Tomoaki","Electron-Deficient Pt2M2Pt2Hexanuclear Metal Strings (M = Pt, Pd) Supported by Triphosphine Ligands","Organometallics","2014","33","8","1893","","10.1021/om401211d","","","0.71075","MoKα","","","0.0729","","","","0.2224","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082878","26.407","0.0009","40.588","0.0013","41.3526","0.0013","90","","90","","90","","44322","2","153","2","153","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C151 H144 Cl10 F24 N2 P16 Pd2 Pt4 -","- C151 H144 Cl10 F24 N2 P16 Pd2 Pt4 -","- C1208 H1152 Cl80 F192 N16 P128 Pd16 Pt32 -","8","1","","Goto, Eri; Begum, Rowshan Ara; Ueno, Chiaki; Hosokawa, Aya; Yamamoto, Chie; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Kajiwara, Takashi; Tanase, Tomoaki","Electron-Deficient Pt2M2Pt2Hexanuclear Metal Strings (M = Pt, Pd) Supported by Triphosphine Ligands","Organometallics","2014","33","8","1893","","10.1021/om401211d","","","0.7107","MoKα","","","0.0887","","","","0.2487","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082879","13.203","0.004","13.902","0.005","18.468","0.006","85.707","0.009","69.334","0.006","85.233","0.009","3156.9","1.8","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H114 Cl12 F12 P12 Pt3 -","- C122 H110 Cl12 F12 P12 Pt3 -","- C122 H110 Cl12 F12 P12 Pt3 -","1","0.5","","Goto, Eri; Begum, Rowshan Ara; Ueno, Chiaki; Hosokawa, Aya; Yamamoto, Chie; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Kajiwara, Takashi; Tanase, Tomoaki","Electron-Deficient Pt2M2Pt2Hexanuclear Metal Strings (M = Pt, Pd) Supported by Triphosphine Ligands","Organometallics","2014","33","8","1893","","10.1021/om401211d","","","0.7107","MoKα","","","0.0851","","","","0.2088","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082880","16.4325","0.0011","23.6825","0.0015","27.6089","0.0019","90","","96.145","0.003","90","","10682.6","1.2","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C94.5 H89 Au Cl8 F12 N P9 Pt3 -","- C94.5 H86 Au Cl8 F12 N P9 Pt3 -","- C378 H344 Au4 Cl32 F48 N4 P36 Pt12 -","4","1","","Goto, Eri; Begum, Rowshan Ara; Ueno, Chiaki; Hosokawa, Aya; Yamamoto, Chie; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Kajiwara, Takashi; Tanase, Tomoaki","Electron-Deficient Pt2M2Pt2Hexanuclear Metal Strings (M = Pt, Pd) Supported by Triphosphine Ligands","Organometallics","2014","33","8","1893","","10.1021/om401211d","","","0.7107","MoKα","","","0.0806","","","","0.239","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082881","16.2983","0.0017","23.534","0.002","27.456","0.003","90","","96.399","0.005","90","","10465.5","1.8","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C94 H88 Au Cl7 F12 N P9 Pd Pt2 -","- C94 H82 Au Cl7 F12 N P9 Pd Pt2 -","- C376 H328 Au4 Cl28 F48 N4 P36 Pd4 Pt8 -","4","1","","Goto, Eri; Begum, Rowshan Ara; Ueno, Chiaki; Hosokawa, Aya; Yamamoto, Chie; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Kajiwara, Takashi; Tanase, Tomoaki","Electron-Deficient Pt2M2Pt2Hexanuclear Metal Strings (M = Pt, Pd) Supported by Triphosphine Ligands","Organometallics","2014","33","8","1893","","10.1021/om401211d","","","0.7107","MoKα","","","0.0965","","","","0.2654","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082882","17.0798","0.0002","10.185","0.0001","18.7403","0.0003","90","","109.208","0.0006","90","","3078.54","0.07","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 Cl N2 P Pd -","- C35 H34 Cl N2 P Pd -","- C140 H136 Cl4 N8 P4 Pd4 -","4","1","","Canovese, L.; Visentin, F.; Santo, C.; Bertolasi, V.","Insertion of Isocyanides across the Pd‒C Bond of Phosphinoquinoline Allyl Palladium Complexes Bearing η1- and η3-Coordinated Allyl Groups. A Synthetic and Mechanistic Study","Organometallics","2014","33","7","1700","","10.1021/om500057h","","","0.71073","MoKα","","0.0513","0.0359","","","0.0869","0.093","","","","","","1.035","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082883","16.1148","0.0002","18.9167","0.0003","16.4436","0.0002","90","","92.763","0.0012","90","","5006.82","0.12","291","2","291.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C103 H88 Cl10 N10 O4 Pd2 -","- C103 H88 Cl10 N10 O4 Pd2 -","- C206 H176 Cl20 N20 O8 Pd4 -","2","1","","Hao, Xin-Qi; Zhao, Yong-Wei; Yang, Jing-Jing; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping","Enantioselective Hydrophosphination of Enones with Diphenylphosphine Catalyzed by Bis(imidazoline) NCN Pincer Palladium(II) Complexes","Organometallics","2014","33","7","1801","","10.1021/om500144b","","","1.5418","CuKα","","0.0481","0.0432","","","0.1145","0.1197","","","","","","1.028","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082884","11.7799","0.0003","11.7799","0.0003","21.5302","0.0008","90","","90","","90","","2987.66","0.15","291","2","291.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32 H37 Br N4 Pd -","- C32 H37 Br N4 Pd -","- C128 H148 Br4 N16 Pd4 -","4","0.5","","Hao, Xin-Qi; Zhao, Yong-Wei; Yang, Jing-Jing; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping","Enantioselective Hydrophosphination of Enones with Diphenylphosphine Catalyzed by Bis(imidazoline) NCN Pincer Palladium(II) Complexes","Organometallics","2014","33","7","1801","","10.1021/om500144b","","","0.7107","MoKα","","0.0501","0.0387","","","0.0895","0.0951","","","","","","1.074","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082885","11.9145","0.0016","12.3395","0.0016","20.032","0.002","95.058","0.005","104.188","0.005","111.073","0.005","2613.2","0.6","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C55 H55 Cl4 F6 Fe P3 Ru -","- C55 H55 Cl4 F6 Fe P3 Ru -","- C110 H110 Cl8 F12 Fe2 P6 Ru2 -","2","1","","Makhoul, Rim; Sahnoune, Hiba; Davin, Thomas; Kahlal, Samia; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-François; Hamon, Jean-René; Lapinte, Claude","Proton-Controlled Regioselective Synthesis of [Cp*(dppe)Fe‒C\τb C-1-(η6-C10H7)Ru(η5-Cp](PF6) and Electron-Driven Haptotropic Rearrangement of the (η5-Cp)Ru+Arenophile","Organometallics","2014","33","18","4792","","10.1021/om500047k","","x-ray","0.71073","MoKα","","0.0805","0.0689","","","0.1803","0.1879","","","","","","1.086","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082886","11.3298","0.0005","23.7633","0.0008","17.4117","0.0006","90","","92.692","0.002","90","","4682.6","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H51 F6 Fe P3 Ru -","- C53 H51 F6 Fe P3 Ru -","- C212 H204 F24 Fe4 P12 Ru4 -","4","1","","Makhoul, Rim; Sahnoune, Hiba; Davin, Thomas; Kahlal, Samia; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-François; Hamon, Jean-René; Lapinte, Claude","Proton-Controlled Regioselective Synthesis of [Cp*(dppe)Fe‒C\τb C-1-(η6-C10H7)Ru(η5-Cp](PF6) and Electron-Driven Haptotropic Rearrangement of the (η5-Cp)Ru+Arenophile","Organometallics","2014","33","18","4792","","10.1021/om500047k","","x-ray","0.71073","MoKα","","0.1744","0.119","","","0.3099","0.351","","","","","","0.993","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082887","12.418","0.0006","14.8558","0.0008","15.5675","0.0008","90","","99.621","0.002","90","","2831.5","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C55 H55 Cl4 F12 Fe P4 Ru -","- C55 H55 Cl4 F12 Fe P4 Ru -","- C110 H110 Cl8 F24 Fe2 P8 Ru2 -","2","1","","Makhoul, Rim; Sahnoune, Hiba; Davin, Thomas; Kahlal, Samia; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-François; Hamon, Jean-René; Lapinte, Claude","Proton-Controlled Regioselective Synthesis of [Cp*(dppe)Fe‒C\τb C-1-(η6-C10H7)Ru(η5-Cp](PF6) and Electron-Driven Haptotropic Rearrangement of the (η5-Cp)Ru+Arenophile","Organometallics","2014","33","18","4792","","10.1021/om500047k","","x-ray","0.71073","MoKα","","0.1265","0.0738","","","0.1812","0.2109","","","","","","1.035","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082888","10.345","0.002","11.195","0.002","18.574","0.004","105.93","0.03","96.31","0.03","93.62","0.03","2046.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H122 O8 P4 Ru2 S2 -","- C80 H122 O8 P4 Ru2 S2 -","- C80 H122 O8 P4 Ru2 S2 -","1","0.5","","Wuttke, Evelyn; Hervault, Yves-Marie; Polit, Walther; Linseis, Michael; Erler, Philipp; Rigaut, Stéphane; Winter, Rainer F.","Divinylphenylene- and Ethynylvinylphenylene-Bridged Mono-, Di-, and Triruthenium Complexes for Covalent Binding to Gold Electrodes","Organometallics","2014","33","18","4672","","10.1021/om400642j","","","0.71073","MoKα","","0.1407","0.0733","","","0.1417","0.166","","","","","","0.994","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082889","16.334","0.003","10.98","0.002","16.957","0.003","90","","105.32","0.03","90","","2933.1","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 Cl O P2 Ru -","- C27 H49 Cl O P2 Ru -","- C108 H196 Cl4 O4 P8 Ru4 -","4","1","","Wuttke, Evelyn; Hervault, Yves-Marie; Polit, Walther; Linseis, Michael; Erler, Philipp; Rigaut, Stéphane; Winter, Rainer F.","Divinylphenylene- and Ethynylvinylphenylene-Bridged Mono-, Di-, and Triruthenium Complexes for Covalent Binding to Gold Electrodes","Organometallics","2014","33","18","4672","","10.1021/om400642j","","","0.71073","MoKα","","0.0474","0.0392","","","0.0937","0.097","","","","","","1.028","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082890","10.687","0.002","11.378","0.002","15.979","0.003","102.68","0.03","94.23","0.03","92.34","0.03","1887.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H56 O4 P2 Ru S -","- C36 H56 O4 P2 Ru S -","- C72 H112 O8 P4 Ru2 S2 -","2","1","","Wuttke, Evelyn; Hervault, Yves-Marie; Polit, Walther; Linseis, Michael; Erler, Philipp; Rigaut, Stéphane; Winter, Rainer F.","Divinylphenylene- and Ethynylvinylphenylene-Bridged Mono-, Di-, and Triruthenium Complexes for Covalent Binding to Gold Electrodes","Organometallics","2014","33","18","4672","","10.1021/om400642j","","","0.71073","MoKα","","0.0663","0.0414","","","0.077","0.0829","","","","","","1.003","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082891","20.309","0.004","32.168","0.006","14.433","0.003","90","","132.12","0.03","90","","6994","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H106 Cl4 O6 P4 Ru2 -","- C64 H106 Cl4 O6 P4 Ru2 -","- C256 H424 Cl16 O24 P16 Ru8 -","4","0.5","","Wuttke, Evelyn; Hervault, Yves-Marie; Polit, Walther; Linseis, Michael; Erler, Philipp; Rigaut, Stéphane; Winter, Rainer F.","Divinylphenylene- and Ethynylvinylphenylene-Bridged Mono-, Di-, and Triruthenium Complexes for Covalent Binding to Gold Electrodes","Organometallics","2014","33","18","4672","","10.1021/om400642j","","","0.71073","MoKα","","0.0813","0.0603","","","0.1316","0.1393","","","","","","1.092","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082892","11.4781","0.001","12.2864","0.0011","16.0681","0.0011","90","","117.088","0.005","90","","2017.4","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Cu F6 O Sb -","- C17 H24 Cu F6 O Sb -","- C68 H96 Cu4 F24 O4 Sb4 -","4","1","","Das, Animesh; Dash, Chandrakanta; Yousufuddin, Muhammed; Dias, H. V. Rasika","Coordination and Ligand Substitution Chemistry of Bis(cyclooctyne)copper(I)","Organometallics","2014","33","7","1644","","10.1021/om4012032","","","0.71073","MoKα","","0.0348","0.0312","","","0.0806","0.0828","","","","","","1.06","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082893","21.9038","0.0019","8.6153","0.0007","25.675","0.002","90","","90","","90","","4845.1","0.7","100","2","100.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H33 Cu F6 N Sb -","- C21 H33 Cu F6 N Sb -","- C168 H264 Cu8 F48 N8 Sb8 -","8","2","","Das, Animesh; Dash, Chandrakanta; Yousufuddin, Muhammed; Dias, H. V. Rasika","Coordination and Ligand Substitution Chemistry of Bis(cyclooctyne)copper(I)","Organometallics","2014","33","7","1644","","10.1021/om4012032","","","0.71073","MoKα","","0.045","0.0359","","","0.0784","0.0829","","","","","","1.041","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082894","23.146","0.005","7.8797","0.0016","12.974","0.003","90","","90","","90","","2366.2","0.9","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H30 Cu F6 N2 Sb -","- C18 H30 Cu F5.9988 N2 Sb0.9998 -","- C72 H120 Cu4 F23.9952 N8 Sb3.9992 -","4","0.5","","Das, Animesh; Dash, Chandrakanta; Yousufuddin, Muhammed; Dias, H. V. Rasika","Coordination and Ligand Substitution Chemistry of Bis(cyclooctyne)copper(I)","Organometallics","2014","33","7","1644","","10.1021/om4012032","","","0.71073","MoKα","","0.0624","0.0554","","","0.1261","0.1286","","","","","","1.248","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082895","13.518","0.0006","11.3958","0.0005","22.2579","0.001","90","","91.122","0.0006","90","","3428.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 Cl4 Cu F6 N4 Sb -","- C22 H40 Cl4 Cu F6 N4 Sb -","- C88 H160 Cl16 Cu4 F24 N16 Sb4 -","4","1","","Das, Animesh; Dash, Chandrakanta; Yousufuddin, Muhammed; Dias, H. V. Rasika","Coordination and Ligand Substitution Chemistry of Bis(cyclooctyne)copper(I)","Organometallics","2014","33","7","1644","","10.1021/om4012032","","","0.71073","MoKα","","0.0707","0.0588","","","0.1612","0.1723","","","","","","1.042","","","","has coordinates,has disorder","178717","2020-10-21","18:00:00",""
"4082896","10.002","0.004","16.273","0.007","18.146","0.007","90","","90","","90","","2953","2","230","2","230","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 N4 O Zn2 -","- C27 H43 N4 O Zn2 -","- C108 H172 N16 O4 Zn8 -","4","1","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agust\?ín; Rodr\?íguez, Ana M.","Stereoselective ROP ofrac-Lactide Mediated by Enantiopure NNO-Scorpionate Zinc Initiators","Organometallics","2014","33","7","1859","","10.1021/om500207x","","","0.71073","MoKα","","0.1493","0.0547","","","0.0895","0.118","","","","","","0.96","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4082897","12.1011","0.0013","16.3346","0.0016","16.7693","0.0016","90","","90","","90","","3314.7","0.6","230","2","230","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 N4 O2 Zn2 -","- C33 H48 N4 O2 Zn2 -","- C132 H192 N16 O8 Zn8 -","4","1","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agust\?ín; Rodr\?íguez, Ana M.","Stereoselective ROP ofrac-Lactide Mediated by Enantiopure NNO-Scorpionate Zinc Initiators","Organometallics","2014","33","7","1859","","10.1021/om500207x","","","0.71073","MoKα","","0.1069","0.05","","","0.074","0.09","","","","","","0.913","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082898","20.5133","0.0006","15.181","0.0004","14.5953","0.0004","90","","110.808","0.003","90","","4248.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 B F2 Fe N3 -","- C25 H20 B F2 Fe N3 -","- C200 H160 B8 F16 Fe8 N24 -","8","2","","Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.","Heteroatom-Connected Ferrocenyl BODIPYs: Synthesis, Structure, and Properties","Organometallics","2014","33","7","1867","","10.1021/om5002292","","","0.71073","MoKα","","0.0618","0.045","","","0.1082","0.1202","","","","","","1.099","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082899","11.3486","0.0003","13.7482","0.0003","13.9193","0.0004","88.981","0.002","88.659","0.002","69.607","0.002","2034.95","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 B F2 Fe N3 -","- C25 H20 B F2 Fe N3 -","- C100 H80 B4 F8 Fe4 N12 -","4","2","","Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.","Heteroatom-Connected Ferrocenyl BODIPYs: Synthesis, Structure, and Properties","Organometallics","2014","33","7","1867","","10.1021/om5002292","","","0.71073","MoKα","","0.0309","0.0293","","","0.0759","0.0768","","","","","","1.109","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082900","7.8849","0.0001","10.0374","0.0002","26.0231","0.0005","90","","94.228","0.002","90","","2053.96","0.06","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 B2 F4 Fe2 N4 O2 -","- C50 H38 B2 F4 Fe2 N4 O2 -","- C100 H76 B4 F8 Fe4 N8 O4 -","2","0.5","","Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.","Heteroatom-Connected Ferrocenyl BODIPYs: Synthesis, Structure, and Properties","Organometallics","2014","33","7","1867","","10.1021/om5002292","","","0.71073","MoKα","","0.0284","0.027","","","0.0675","0.0685","","","","","","1.054","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082901","11.0633","0.0004","14.4288","0.0006","26.8755","0.0013","90","","90","","90","","4290.1","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 B F2 Fe N2 O -","- C25 H19 B F2 Fe N2 O -","- C200 H152 B8 F16 Fe8 N16 O8 -","8","2","","Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.","Heteroatom-Connected Ferrocenyl BODIPYs: Synthesis, Structure, and Properties","Organometallics","2014","33","7","1867","","10.1021/om5002292","","","1.5418","CuKα","","0.0956","0.0619","","","0.1514","0.1823","","","","","","0.987","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082902","13.036","0.005","19.934","0.005","22.598","0.005","90","","90","","90","","5872","3","107.2","0.2","107.2","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H34 Fe2 Si -","- C38 H34 Fe2 Si -","- C304 H272 Fe16 Si8 -","8","1","","Lehrich, Steve W.; Hildebrandt, Alexander; Rüffer, Tobias; Korb, Marcus; Low, Paul J.; Lang, Heinrich","Synthesis, Characterization, Electrochemistry, and Computational Studies of Ferrocenyl-Substituted Siloles","Organometallics","2014","33","18","4836","","10.1021/om500072q","","","0.71073","MoKα","","0.0316","0.0258","","","0.0635","0.0656","","","","","","1.03","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082903","13.1115","0.0004","10.8183","0.0004","14.804","0.0004","90","","99.078","0.003","90","","2073.56","0.12","110","","110","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C50 H42 Cl4 Fe2 Si -","- C50 H42 Cl4 Fe2 Si -","- C100 H84 Cl8 Fe4 Si2 -","2","0.5","","Lehrich, Steve W.; Hildebrandt, Alexander; Rüffer, Tobias; Korb, Marcus; Low, Paul J.; Lang, Heinrich","Synthesis, Characterization, Electrochemistry, and Computational Studies of Ferrocenyl-Substituted Siloles","Organometallics","2014","33","18","4836","","10.1021/om500072q","","","0.71073","MoKα","","0.0599","0.052","","","0.1284","0.1327","","","","","","1.06","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082904","13.345","0.0017","14.1372","0.0018","16.505","0.002","76.882","0.002","81.571","0.002","88.592","0.002","2999.7","0.7","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H38 B Cl Fe N2 -","- C36.5 H38 B Cl Fe N2 -","- C146 H152 B4 Cl4 Fe4 N8 -","4","2","","Rao, Ying-Li; Kusamoto, Tetsuro; Sakamoto, Ryota; Nishihara, Hiroshi; Wang, Suning","Reactivity and Electronic Properties of a Ferrocene Molecule Bearing an N,C-Chelated BMes2Unit","Organometallics","2014","33","7","1787","","10.1021/om500138f","","","0.71073","MoKα","","0.0733","0.044","","","0.0927","0.1057","","","","","","1.033","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082905","7.3325","0.0008","13.0641","0.0014","11.9705","0.0013","90","","94.357","0.002","90","","1143.4","0.2","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H27 B Fe N2 O -","- C27 H27 B Fe N2 O -","- C54 H54 B2 Fe2 N4 O2 -","2","1","","Rao, Ying-Li; Kusamoto, Tetsuro; Sakamoto, Ryota; Nishihara, Hiroshi; Wang, Suning","Reactivity and Electronic Properties of a Ferrocene Molecule Bearing an N,C-Chelated BMes2Unit","Organometallics","2014","33","7","1787","","10.1021/om500138f","","","0.71073","MoKα","","0.0567","0.0406","","","0.0731","0.0796","","","","","","0.978","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082906","35.419","0.006","9.176","0.0015","23.407","0.004","90","","117.127","0.002","90","","6771","2","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H37 B Fe I3 N2 -","- C36 H37 B Fe I3 N2 -","- C288 H296 B8 Fe8 I24 N16 -","8","1","","Rao, Ying-Li; Kusamoto, Tetsuro; Sakamoto, Ryota; Nishihara, Hiroshi; Wang, Suning","Reactivity and Electronic Properties of a Ferrocene Molecule Bearing an N,C-Chelated BMes2Unit","Organometallics","2014","33","7","1787","","10.1021/om500138f","","","0.71073","MoKα","","0.1334","0.0524","","","0.102","0.1327","","","","","","0.962","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082907","12.7037","0.0004","11.756","0.0004","13.153","0.0005","90","","94.276","0.003","90","","1958.86","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,4-diflouro-1,2-phenylenediboronic acid","","- C7.5 H9 B2 F2 O4.5 -","- C7.5 H9 B2 F2 O4.5 -","- C60 H72 B16 F16 O36 -","8","2","","Durka, Krzysztof; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Influence of Fluorination and Boronic Group Synergy on the Acidity and Structural Behavior ofo-Phenylenediboronic Acids","Organometallics","2014","33","7","1608","","10.1021/om401146p","","x-ray","0.71073","MoKα","","0.0762","0.0473","","","0.115","0.1322","","","","","","1.018","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4082908","4.4056","0.0002","10.5551","0.0004","14.0461","0.0007","108.89","0.004","93.462","0.004","99.729","0.004","604.44","0.05","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","tetrafluorophenylene-1,2-diboronic acid","","- C6 H10 B2 F4 O7 -","- C6 H10 B2 F4 O7 -","- C12 H20 B4 F8 O14 -","2","1","","Durka, Krzysztof; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Influence of Fluorination and Boronic Group Synergy on the Acidity and Structural Behavior ofo-Phenylenediboronic Acids","Organometallics","2014","33","7","1608","","10.1021/om401146p","","","0.71073","MoKα","","0.0499","0.035","","","0.0856","0.0933","","","","","","1.036","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082909","7.0259","0.0015","10.811","0.002","28.36","0.006","90","","92.29","0.01","90","","2152.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 B4 F8 O11 -","- C15 H18 B4 F8 O11 -","- C60 H72 B16 F32 O44 -","4","1","","Durka, Krzysztof; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Influence of Fluorination and Boronic Group Synergy on the Acidity and Structural Behavior ofo-Phenylenediboronic Acids","Organometallics","2014","33","7","1608","","10.1021/om401146p","","x-ray","0.71073","MoKα","","0.1274","0.0964","","","0.2089","0.2238","","","","","","1.15","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082910","12.8507","0.0006","14.7049","0.0007","13.4496","0.0005","90","","107.116","0.003","90","","2428.98","0.19","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 Br N2 O2 P Re -","- C21 H35 Br N2 O2 P Re -","- C84 H140 Br4 N8 O8 P4 Re4 -","4","1","","Pichaandi, Kothanda Rama; Mazzotta, Michael G.; Harwood, John S.; Fanwick, Phillip E.; Abu-Omar, Mahdi M.","Synthesis, Dynamics, and DFT Studies of Rhenium Dicarbonyl PNN Pincer Complexes in Three Different Oxidation States","Organometallics","2014","33","7","1672","","10.1021/om500007m","","","1.54184","CU-Kα","","0.034","0.033","","","0.09","0.09","","","","","","1.163","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4082911","8.2611","0.0004","12.5682","0.0007","15.6445","0.0007","90","","96.053","0.003","90","","1615.27","0.14","150","0.02","150","0.02","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C21 H35 Br Cl7 N2 O2 P Re Sb -","- C21 H35 Br Cl7 N2 O2 P Re Sb -","- C42 H70 Br2 Cl14 N4 O4 P2 Re2 Sb2 -","2","1","","Pichaandi, Kothanda Rama; Mazzotta, Michael G.; Harwood, John S.; Fanwick, Phillip E.; Abu-Omar, Mahdi M.","Synthesis, Dynamics, and DFT Studies of Rhenium Dicarbonyl PNN Pincer Complexes in Three Different Oxidation States","Organometallics","2014","33","7","1672","","10.1021/om500007m","","","1.54184","CU-Kα","","0.061","0.061","","","0.167","0.167","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082912","12.7184","0.0009","14.6364","0.0011","13.3806","0.0006","90","","107.963","0.005","90","","2369.4","0.3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 Cl N2 O2 P Re -","- C21 H35 Cl N2 O2 P Re -","- C84 H140 Cl4 N8 O8 P4 Re4 -","4","1","","Pichaandi, Kothanda Rama; Mazzotta, Michael G.; Harwood, John S.; Fanwick, Phillip E.; Abu-Omar, Mahdi M.","Synthesis, Dynamics, and DFT Studies of Rhenium Dicarbonyl PNN Pincer Complexes in Three Different Oxidation States","Organometallics","2014","33","7","1672","","10.1021/om500007m","","","1.54178","CuKα","","0.0608","0.0491","","","0.1353","0.1454","","","","","","1.151","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082913","15.5329","0.0012","8.4482","0.0006","24.9274","0.0018","90","","102.76","0.006","90","","3190.3","0.4","200","2","200","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C21 H35 Cl7 N2 O2 P Re Sb -","- C21 H35 Cl7 N2 O2 P Re Sb -","- C84 H140 Cl28 N8 O8 P4 Re4 Sb4 -","4","1","","Pichaandi, Kothanda Rama; Mazzotta, Michael G.; Harwood, John S.; Fanwick, Phillip E.; Abu-Omar, Mahdi M.","Synthesis, Dynamics, and DFT Studies of Rhenium Dicarbonyl PNN Pincer Complexes in Three Different Oxidation States","Organometallics","2014","33","7","1672","","10.1021/om500007m","","","1.54178","CuKα","","0.077","0.0631","","","0.1783","0.1905","","","","","","1.156","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082914","12.611","0.0009","14.4089","0.0006","13.2183","0.0005","90","","107.281","0.004","90","","2293.5","0.2","150","0.02","150","0.02","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 N2 O3 P Re -","- C21 H36 N2 O3 P Re -","- C84 H144 N8 O12 P4 Re4 -","4","1","","Pichaandi, Kothanda Rama; Mazzotta, Michael G.; Harwood, John S.; Fanwick, Phillip E.; Abu-Omar, Mahdi M.","Synthesis, Dynamics, and DFT Studies of Rhenium Dicarbonyl PNN Pincer Complexes in Three Different Oxidation States","Organometallics","2014","33","7","1672","","10.1021/om500007m","","","1.54184","CU-Kα","","0.043","0.041","","","0.118","0.121","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082915","10.81596","0.00013","17.4581","0.0003","14.16497","0.00015","90","","100.205","0.001","90","","2632.4","0.06","109.7","","109.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H48 O4 P2 Ru -","- C22 H48 O4 P2 Ru -","- C88 H192 O16 P8 Ru4 -","4","1","","Pickup, Oliver J. S.; Khazal, Iman; Smith, Elizabeth J.; Whitwood, Adrian C.; Lynam, Jason M.; Bolaky, Keshan; King, Timothy C.; Rawe, Benjamin W.; Fey, Natalie","Computational Discovery of Stable Transition-Metal Vinylidene Complexes","Organometallics","2014","33","7","1751","","10.1021/om500114u","","","0.7107","MoKα","","0.0319","0.0262","","","0.058","0.0615","","","","","","1.049","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082916","10.9788","0.0007","12.8555","0.0011","16.3875","0.001","81.267","0.006","72.065","0.005","67.84","0.007","2036.3","0.3","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H38 F2 O4 P2 Ru -","- C50 H38 F2 O4 P2 Ru -","- C100 H76 F4 O8 P4 Ru2 -","2","1","","Pickup, Oliver J. S.; Khazal, Iman; Smith, Elizabeth J.; Whitwood, Adrian C.; Lynam, Jason M.; Bolaky, Keshan; King, Timothy C.; Rawe, Benjamin W.; Fey, Natalie","Computational Discovery of Stable Transition-Metal Vinylidene Complexes","Organometallics","2014","33","7","1751","","10.1021/om500114u","","","0.7107","MoKα","","0.034","0.0287","","","0.0656","0.0688","","","","","","1.039","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082917","12.6749","0.0007","14.7788","0.0006","17.0117","0.0007","90","","90.298","0.004","90","","3186.6","0.3","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 O4 P2 Ru -","- C30 H54 O4 P2 Ru -","- C120 H216 O16 P8 Ru4 -","4","1","","Pickup, Oliver J. S.; Khazal, Iman; Smith, Elizabeth J.; Whitwood, Adrian C.; Lynam, Jason M.; Bolaky, Keshan; King, Timothy C.; Rawe, Benjamin W.; Fey, Natalie","Computational Discovery of Stable Transition-Metal Vinylidene Complexes","Organometallics","2014","33","7","1751","","10.1021/om500114u","","","0.7107","MoKα","","0.082","0.0652","","","0.1626","0.1756","","","","","","1.082","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082918","20.228","0.0003","23.5455","0.0003","21.7027","0.0003","90","","113.312","0.0018","90","","9492.7","0.3","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H50 O4 P2 Ru -","- C60 H50 O4 P2 Ru -","- C480 H400 O32 P16 Ru8 -","8","2","","Pickup, Oliver J. S.; Khazal, Iman; Smith, Elizabeth J.; Whitwood, Adrian C.; Lynam, Jason M.; Bolaky, Keshan; King, Timothy C.; Rawe, Benjamin W.; Fey, Natalie","Computational Discovery of Stable Transition-Metal Vinylidene Complexes","Organometallics","2014","33","7","1751","","10.1021/om500114u","","","0.7107","MoKα","","0.0757","0.0431","","","0.0893","0.1075","","","","","","1.042","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082919","18.4523","0.0006","16.6112","0.0007","15.329","0.0006","90","","90","","90","","4698.6","0.3","109.9","0.4","109.9","0.4","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C58 H44 F2 O4 P2 Ru -","- C58 H44 F2 O4 P2 Ru -","- C232 H176 F8 O16 P8 Ru4 -","4","1","","Pickup, Oliver J. S.; Khazal, Iman; Smith, Elizabeth J.; Whitwood, Adrian C.; Lynam, Jason M.; Bolaky, Keshan; King, Timothy C.; Rawe, Benjamin W.; Fey, Natalie","Computational Discovery of Stable Transition-Metal Vinylidene Complexes","Organometallics","2014","33","7","1751","","10.1021/om500114u","","","0.7107","MoKα","","0.0695","0.0534","","","0.1106","0.125","","","","","","1.063","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082920","10.4411","0.0012","6.8784","0.0008","12.5348","0.0014","90","","97.708","0.002","90","","892.09","0.18","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C17 H14 Ag F6 N3 O2 -","- C17 H14 Ag F6 N3 O2 -","- C34 H28 Ag2 F12 N6 O4 -","2","0.5","","Flores, Jaime A.; Pal, Kuntal; Carroll, Maria E.; Pink, Maren; Karty, Jonathan A.; Mindiola, Daniel J.; Caulton, Kenneth G.","Mechanistic Understanding of a Silver Pyridylpyrrolide as a Catalyst for 3 + 2 Cyclization of a Nitrile with Diazo Ester","Organometallics","2014","33","7","1544","","10.1021/om400756t","","","0.71073","MoKα","","0.0227","0.0203","","","0.049","0.05","","","","","","1.113","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082921","18.5291","0.0016","18.5291","0.0016","14.087","0.002","90","","90","","90","","4836.5","0.9","293","2","293","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C44.5 H38.5 Br2 Cl1.5 N4 O Pd2 S2 -","- C44.5 H38.5 Br2 Cl1.5 N4 O Pd2 S2 -","- C178 H154 Br8 Cl6 N16 O4 Pd8 S8 -","4","0.5","","Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh","Template-Directed Synthesis of Palladium(II) Sulfonate-NHC Complexes and Catalytic Studies in Aqueous Mizoroki‒Heck Reactions","Organometallics","2014","33","7","1794","","10.1021/om500140g","","","0.71073","MoKα","","0.0581","0.0483","","","0.1425","0.1501","","","","","","1.073","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082922","8.321","0.004","20.941","0.009","30.868","0.013","90","","90","","90","","5379","4","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Br2 N4 O3 Pd S -","- C22 H30 Br2 N4 O3 Pd S -","- C176 H240 Br16 N32 O24 Pd8 S8 -","8","1","","Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh","Template-Directed Synthesis of Palladium(II) Sulfonate-NHC Complexes and Catalytic Studies in Aqueous Mizoroki‒Heck Reactions","Organometallics","2014","33","7","1794","","10.1021/om500140g","","","0.71073","MoKα","","0.0669","0.042","","","0.0931","0.102","","","","","","1.015","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082923","7.529","0.003","10.949","0.005","36.97","0.015","90","","90","","90","","3048","2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 Br2 N4 O3 Pd S -","- C28 H34 Br2 N4 O3 Pd S -","- C112 H136 Br8 N16 O12 Pd4 S4 -","4","1","","Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh","Template-Directed Synthesis of Palladium(II) Sulfonate-NHC Complexes and Catalytic Studies in Aqueous Mizoroki‒Heck Reactions","Organometallics","2014","33","7","1794","","10.1021/om500140g","","","0.71073","MoKα","","0.0405","0.036","","","0.0817","0.0835","","","","","","1.041","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082924","33.3395","0.0013","5.9474","0.0002","14.4477","0.0005","90","","90","","90","","2864.74","0.18","140","2","140","2","","","","","","","","5","P 21 c n","P -2n 2a","33","Compound 3","","","- C16 H10 Mn N3 O3 -","- C16 H10 Mn1.03 N3 O3 -","- C128 H80 Mn8.24 N24 O24 -","8","2","","Day, David P.; Dann, Thomas; Hughes, David. L.; Oganesyan, Vasily S.; Steverding, Dietmar; Wildgoose, Gregory G.","Cymantrene‒Triazole “Click” Products: Structural Characterization and Electrochemical Properties","Organometallics","2014","33","18","4687","","10.1021/om4007642","","","0.71073","MoKα","","0.0773","0.0707","","","0.1576","0.1611","","","","","","1.16","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082925","5.8394","0.0003","9.7556","0.0005","13.9033","0.0008","106.742","0.005","94.508","0.004","102.614","0.004","731.61","0.07","140","2","140","1","","","","","","","","5","P -1","-P 1","2","Compound 5","","","- C16 H11 Mn N4 O3 -","- C16 H11 Mn N4 O3 -","- C32 H22 Mn2 N8 O6 -","2","1","","Day, David P.; Dann, Thomas; Hughes, David. L.; Oganesyan, Vasily S.; Steverding, Dietmar; Wildgoose, Gregory G.","Cymantrene‒Triazole “Click” Products: Structural Characterization and Electrochemical Properties","Organometallics","2014","33","18","4687","","10.1021/om4007642","","","0.71073","Mo-Kα","","0.0577","0.0484","","","0.1175","0.1206","","","","","","1.172","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082926","13.4966","0.0003","18.6094","0.0005","32.8876","0.0009","82.408","0.002","83.663","0.001","79.017","0.002","8006.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H126 Al2 B2 Lu N4 -","- C77 H126 Al2 B2 Lu N4 -","- C308 H504 Al8 B8 Lu4 N16 -","4","2","","Dettenrieder, Nicole; Hollfelder, Christoph O.; Jende, Lars N.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Half-Sandwich Rare-Earth-Metal Alkylaluminate Complexes Bearing Peripheral Boryl Ligands","Organometallics","2014","33","7","1528","","10.1021/om401163a","","","0.71073","MoKα","","0.059","0.0423","","","0.1082","0.1148","","","","","","1.056","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082927","6.9566","0.0002","11.0422","0.0002","24.8251","0.0005","90","","96.308","0.002","90","","1895.42","0.08","233","2","233","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 F6 O2 P Ru -","- C17 H21 F6 O2 P Ru -","- C68 H84 F24 O8 P4 Ru4 -","4","1","","Pittracher, Michael; Frisch, Ulla; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Oehninger, Luciano; Ott, Ingo; Wuttke, Evelyn; Scheerer, Stefan; Winter, Rainer F.; Bildstein, Benno","π-Complexes of Tropolone and Its N-Derivatives: Ambidentate [O,O]/[N,O]/[N,N]-Cycloheptatrienyl Pentamethylcyclopentadienyl Ruthenium Sandwich Complexes","Organometallics","2014","33","7","1630","","10.1021/om401200t","","","0.71073","MoKα","","0.0325","0.0299","","","0.077","0.0786","","","","","","1.096","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082928","15.1252","0.0002","14.0062","0.0002","21.2494","0.0004","90","","90","","90","","4501.61","0.12","233","2","233","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C20 H28 F6 N O P Ru -","- C20 H28 F6 N O P Ru -","- C160 H224 F48 N8 O8 P8 Ru8 -","8","1","","Pittracher, Michael; Frisch, Ulla; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Oehninger, Luciano; Ott, Ingo; Wuttke, Evelyn; Scheerer, Stefan; Winter, Rainer F.; Bildstein, Benno","π-Complexes of Tropolone and Its N-Derivatives: Ambidentate [O,O]/[N,O]/[N,N]-Cycloheptatrienyl Pentamethylcyclopentadienyl Ruthenium Sandwich Complexes","Organometallics","2014","33","7","1630","","10.1021/om401200t","","","0.71073","MoKα","","0.0598","0.0537","","","0.122","0.1242","","","","","","1.193","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082929","8.6584","0.0003","8.673","0.0003","17.9641","0.0005","89.394","0.002","76.558","0.002","85.194","0.002","1307.38","0.07","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H35 F6 N2 P Ru -","- C23 H35 F6 N2 P Ru -","- C46 H70 F12 N4 P2 Ru2 -","2","1","","Pittracher, Michael; Frisch, Ulla; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Oehninger, Luciano; Ott, Ingo; Wuttke, Evelyn; Scheerer, Stefan; Winter, Rainer F.; Bildstein, Benno","π-Complexes of Tropolone and Its N-Derivatives: Ambidentate [O,O]/[N,O]/[N,N]-Cycloheptatrienyl Pentamethylcyclopentadienyl Ruthenium Sandwich Complexes","Organometallics","2014","33","7","1630","","10.1021/om401200t","","","0.71073","MoKα","","0.0457","0.0381","","","0.0928","0.097","","","","","","1.075","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082930","12.8503","0.0004","11.5967","0.0004","15.6206","0.0004","90","","111.367","0.002","90","","2167.8","0.12","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cu F12 N2 O4 P2 Ru2 -","- C38 H46 Cu F12 N2 O4 P2 Ru2 -","- C76 H92 Cu2 F24 N4 O8 P4 Ru4 -","2","0.5","","Pittracher, Michael; Frisch, Ulla; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Oehninger, Luciano; Ott, Ingo; Wuttke, Evelyn; Scheerer, Stefan; Winter, Rainer F.; Bildstein, Benno","π-Complexes of Tropolone and Its N-Derivatives: Ambidentate [O,O]/[N,O]/[N,N]-Cycloheptatrienyl Pentamethylcyclopentadienyl Ruthenium Sandwich Complexes","Organometallics","2014","33","7","1630","","10.1021/om401200t","","","0.71073","MoKα","","0.0983","0.0363","","","0.0878","0.1079","","","","","","1.069","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082931","11.0826","0.0004","12.8205","0.0005","16.7272","0.0007","100.46","0.002","99.595","0.003","107.645","0.002","2163.99","0.15","233","2","233","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H48 Cu F12 O6 P2 Ru2 -","- C37 H48 Cu F12 O6 P2 Ru2 -","- C74 H96 Cu2 F24 O12 P4 Ru4 -","2","1","","Pittracher, Michael; Frisch, Ulla; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Oehninger, Luciano; Ott, Ingo; Wuttke, Evelyn; Scheerer, Stefan; Winter, Rainer F.; Bildstein, Benno","π-Complexes of Tropolone and Its N-Derivatives: Ambidentate [O,O]/[N,O]/[N,N]-Cycloheptatrienyl Pentamethylcyclopentadienyl Ruthenium Sandwich Complexes","Organometallics","2014","33","7","1630","","10.1021/om401200t","","","0.71073","MoKα","","0.0608","0.044","","","0.0954","0.1016","","","","","","1.044","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082932","12.0703","0.0002","15.0176","0.0003","36.7365","0.0007","90","","96.819","0.001","90","","6612","0.2","233","2","233","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H72.8 F18 Fe O8.4 P3 Ru3 -","- C57 H72 F18 Fe O8.4 P3 Ru3 -","- C228 H288 F72 Fe4 O33.6 P12 Ru12 -","4","1","","Pittracher, Michael; Frisch, Ulla; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Oehninger, Luciano; Ott, Ingo; Wuttke, Evelyn; Scheerer, Stefan; Winter, Rainer F.; Bildstein, Benno","π-Complexes of Tropolone and Its N-Derivatives: Ambidentate [O,O]/[N,O]/[N,N]-Cycloheptatrienyl Pentamethylcyclopentadienyl Ruthenium Sandwich Complexes","Organometallics","2014","33","7","1630","","10.1021/om401200t","","","0.71073","MoKα","","0.0597","0.0468","","","0.1218","0.1286","","","","","","1.044","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4082933","11.9233","0.0002","11.9233","0.0002","13.3966","0.0002","90","","90","","90","","1904.53","0.05","233","2","233","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C20 H24 Cu N2 O2 -","- C20 H24 Cu N2 O2 -","- C80 H96 Cu4 N8 O8 -","4","0.5","","Pittracher, Michael; Frisch, Ulla; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Oehninger, Luciano; Ott, Ingo; Wuttke, Evelyn; Scheerer, Stefan; Winter, Rainer F.; Bildstein, Benno","π-Complexes of Tropolone and Its N-Derivatives: Ambidentate [O,O]/[N,O]/[N,N]-Cycloheptatrienyl Pentamethylcyclopentadienyl Ruthenium Sandwich Complexes","Organometallics","2014","33","7","1630","","10.1021/om401200t","","","0.71073","MoKα","","0.0193","0.0185","","","0.048","0.0484","","","","","","1.103","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082934","10.3183","0.0004","12.5463","0.0005","24.2213","0.001","86.477","0.002","88.342","0.002","73.417","0.002","2999.3","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H63 Cl3 Cr N3 O2.5 P4 -","- C63 H63 Cl3 Cr N3 O2.5 P4 -","- C126 H126 Cl6 Cr2 N6 O5 P8 -","2","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Reactivity with Alkylaluminum of a Chromium Complex of a Pyridine-Containing PNP Ligand: Redox N‒P Bond Cleavage","Organometallics","2014","33","7","1602","","10.1021/om401129w","","","0.71073","MoKα","","0.0767","0.064","","","0.1798","0.191","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082935","12.634","0.003","13.792","0.003","15.021","0.003","81.438","0.008","68.115","0.008","83.586","0.008","2397.2","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C48.75 H51 Al Cl2 Cr N3 P3 -","- C48.75 H51 Al Cl2 Cr N3 P3 -","- C97.5 H102 Al2 Cl4 Cr2 N6 P6 -","2","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Reactivity with Alkylaluminum of a Chromium Complex of a Pyridine-Containing PNP Ligand: Redox N‒P Bond Cleavage","Organometallics","2014","33","7","1602","","10.1021/om401129w","","","0.71073","MoKα","","0.1172","0.0581","","","0.107","0.1202","","","","","","1.039","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082936","16.004","0.004","16.615","0.004","19.488","0.005","90","","93.209","0.009","90","","5174","2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47.45 H46.8 Al Cl3 Cr N3 P3 -","- C47.45 H46.8 Al Cl3 Cr N3 P3 -","- C189.8 H187.2 Al4 Cl12 Cr4 N12 P12 -","4","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Reactivity with Alkylaluminum of a Chromium Complex of a Pyridine-Containing PNP Ligand: Redox N‒P Bond Cleavage","Organometallics","2014","33","7","1602","","10.1021/om401129w","","","0.71073","MoKα","","0.1212","0.0778","","","0.1643","0.1853","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082937","17.563","0.0009","10.2026","0.0005","12.9769","0.0008","90","","97.061","0.004","90","","2307.7","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Fe O8 -","- C26 H26 Fe O8 -","- C104 H104 Fe4 O32 -","4","0.5","","Kowalski, Konrad; Szczupak, Łukasz; Skiba, Joanna; Abdel-Rahman, Obadah S.; Winter, Rainer F.; Czerwieniec, Rafał; Therrien, Bruno","Synthesis, Structure, and Spectroelectrochemistry of Ferrocenyl‒Meldrum’s Acid Donor‒Acceptor Systems","Organometallics","2014","33","18","4697","","10.1021/om401191q","","","0.71073","MoKα","","0.0757","0.0557","","","0.1263","0.1342","","","","","","1.055","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082938","6.3244","0.0007","12.4968","0.0009","15.4926","0.0017","90","","91.647","0.009","90","","1223.9","0.2","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C12 H20 N4 O2 -","- C12 H20 N4 O2 -","- C48 H80 N16 O8 -","4","2","","Barth, Beatrix E. K.; Tkachenko, Boryslav A.; Eußner, Jens P.; Schreiner, Peter R.; Dehnen, Stefanie","Diamondoid Hydrazones and Hydrazides: Sterically Demanding Ligands for Sn/S Cluster Design","Organometallics","2014","33","7","1678","","10.1021/om500014z","","","0.71073","MoKα","","0.0928","0.0621","","","0.132","0.1413","","","","","","0.82","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082939","11.5634","0.0009","13.682","0.0008","16.8943","0.0015","77.9","0.006","70.783","0.007","89.54","0.006","2462.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H124 Cl8 N8 S10 Sn6 -","- C76 H124 Cl8 N8 S10 Sn6 -","- C76 H124 Cl8 N8 S10 Sn6 -","1","0.5","","Barth, Beatrix E. K.; Tkachenko, Boryslav A.; Eußner, Jens P.; Schreiner, Peter R.; Dehnen, Stefanie","Diamondoid Hydrazones and Hydrazides: Sterically Demanding Ligands for Sn/S Cluster Design","Organometallics","2014","33","7","1678","","10.1021/om500014z","","","0.71073","MoKα","","0.1473","0.0545","","","0.0866","0.0954","","","","","","0.806","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082940","16.2629","0.001","20.5736","0.0012","30.064","0.002","83.694","0.005","88.532","0.005","77.329","0.005","9754.6","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C71.5 H115 Cl7 N8 O4 S10 Sn6 -","- C71.4985 H110 Cl6.997 N8 O4 S10 Sn6 -","- C285.994 H440 Cl27.988 N32 O16 S40 Sn24 -","4","2","","Barth, Beatrix E. K.; Tkachenko, Boryslav A.; Eußner, Jens P.; Schreiner, Peter R.; Dehnen, Stefanie","Diamondoid Hydrazones and Hydrazides: Sterically Demanding Ligands for Sn/S Cluster Design","Organometallics","2014","33","7","1678","","10.1021/om500014z","","","0.71073","MoKα","","0.1936","0.0686","","","0.1072","0.1376","","","","","","0.804","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082941","13.7197","0.0007","30.9148","0.001","11.103","0.0005","90","","99.732","0.004","90","","4641.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H104 Cl12 N8 O8 S10 Sn6 -","- C64 H104 Cl12 N8 O8 S10 Sn6 -","- C128 H208 Cl24 N16 O16 S20 Sn12 -","2","0.5","","Barth, Beatrix E. K.; Tkachenko, Boryslav A.; Eußner, Jens P.; Schreiner, Peter R.; Dehnen, Stefanie","Diamondoid Hydrazones and Hydrazides: Sterically Demanding Ligands for Sn/S Cluster Design","Organometallics","2014","33","7","1678","","10.1021/om500014z","","","0.71073","MoKα","","0.1051","0.047","","","0.1024","0.1136","","","","","","0.803","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082942","13.0677","0.0006","30.6876","0.0011","10.9754","0.0004","90","","102.965","0.002","90","","4289.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H104 N8 O4 S10 Sn6 -","- C68 H104 N8 O4 S10 Sn6 -","- C136 H208 N16 O8 S20 Sn12 -","2","0.5","","Barth, Beatrix E. K.; Tkachenko, Boryslav A.; Eußner, Jens P.; Schreiner, Peter R.; Dehnen, Stefanie","Diamondoid Hydrazones and Hydrazides: Sterically Demanding Ligands for Sn/S Cluster Design","Organometallics","2014","33","7","1678","","10.1021/om500014z","","","0.71073","MoKα","","0.0743","0.057","","","0.1316","0.143","","","","","","1.059","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082943","12.6137","0.0007","13.1611","0.0007","17.9352","0.001","91.643","0.002","108.545","0.002","118.316","0.002","2426.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H55 Co3 N3 O17 -","- C44 H47 Co3 N3 O17 -","- C88 H94 Co6 N6 O34 -","2","1","","Karthikeyan, I.; Alamsetti, S. K.; Sekar, G.","Isolation and Characterization of a Trinuclear Cobalt Complex Containing Trigonal-Prismatic Cobalt in Secondary Alcohol Aerobic Oxidation","Organometallics","2014","33","7","1665","","10.1021/om500003d","","","0.71073","MoKα","","0.0802","0.0567","","","0.1631","0.1837","","","","","","1.044","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082944","29.163","0.002","17.1312","0.0012","18.0064","0.0013","90","","122.096","0.002","90","","7621","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H72 Co3 N6 O15 -","- C76 H62 Co3 N6 O14.998 -","- C304 H248 Co12 N24 O59.992 -","4","0.5","","Karthikeyan, I.; Alamsetti, S. K.; Sekar, G.","Isolation and Characterization of a Trinuclear Cobalt Complex Containing Trigonal-Prismatic Cobalt in Secondary Alcohol Aerobic Oxidation","Organometallics","2014","33","7","1665","","10.1021/om500003d","","","0.71073","MoKα","","0.1086","0.0776","","","0.2275","0.2604","","","","","","1.155","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082945","13.121","0.003","18.295","0.004","18.676","0.004","90","","95.25","0.03","90","","4464.3","1.7","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H44 Fe O2 Si3 -","- C55 H44 Fe O2 Si3 -","- C220 H176 Fe4 O8 Si12 -","4","1","","Gu, Guangna; Luo, Haiou; Sun, Huailin","A New Approach to Directly Synthesize (η5-C5H4R)Fe(CO)2SiR′3by Reaction of Cyclopentadienes with Pentacarbonyliron and Hydrosilanes","Organometallics","2014","33","7","1710","","10.1021/om500066y","","","0.71073","MoKα","","0.0703","0.0576","","","0.1347","0.1432","","","","","","1.086","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082946","8.267","0.004","10.302","0.006","14.217","0.008","89.16","0.02","77.12","0.02","66.571","0.015","1079.3","1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Fe O2 Si -","- C26 H22 Fe O2 Si -","- C52 H44 Fe2 O4 Si2 -","2","1","","Gu, Guangna; Luo, Haiou; Sun, Huailin","A New Approach to Directly Synthesize (η5-C5H4R)Fe(CO)2SiR′3by Reaction of Cyclopentadienes with Pentacarbonyliron and Hydrosilanes","Organometallics","2014","33","7","1710","","10.1021/om500066y","","","0.71073","MoKα","","0.0321","0.0261","","","0.069","0.0703","","","","","","1.059","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082947","13.377","0.007","6.651","0.003","29.54","0.014","90","","95.677","0.006","90","","2615","2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Fe O2 Si3 -","- C25 H32 Fe O2 Si3 -","- C100 H128 Fe4 O8 Si12 -","4","1","","Gu, Guangna; Luo, Haiou; Sun, Huailin","A New Approach to Directly Synthesize (η5-C5H4R)Fe(CO)2SiR′3by Reaction of Cyclopentadienes with Pentacarbonyliron and Hydrosilanes","Organometallics","2014","33","7","1710","","10.1021/om500066y","","","0.71073","MoKα","","0.0974","0.0699","","","0.1792","0.1948","","","","","","1.065","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082948","12.8642","0.0012","13.5832","0.0013","14.4363","0.0014","90","","90","","90","","2522.6","0.4","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H27 B2 Cl2 F4 N7 Os -","- C20 H27 B2 Cl2 F4 N7 Os -","- C80 H108 B8 Cl8 F16 N28 Os4 -","4","1","","Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Selectivemeta-C‒H Bond Activation of Substituted 1,3-Chlorobenzenes Promoted by an Osmium Pyridyl Complex","Organometallics","2014","33","7","1851","","10.1021/om500204s","","","0.71073","MoKα","","0.0441","0.0332","","","0.0739","0.081","","","","","","1.026","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082949","10.5697","0.0005","12.2481","0.0006","15.7824","0.0008","90","","98.157","0.001","90","","2022.5","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 B Cl F N6 Os -","- C19 H21 B Cl F N6 Os -","- C76 H84 B4 Cl4 F4 N24 Os4 -","4","1","","Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Selectivemeta-C‒H Bond Activation of Substituted 1,3-Chlorobenzenes Promoted by an Osmium Pyridyl Complex","Organometallics","2014","33","7","1851","","10.1021/om500204s","","","0.71073","MoKα","","0.0312","0.0275","","","0.0527","0.0539","","","","","","1.195","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082950","7.3097","0.0003","8.1424","0.0004","14.9208","0.0007","96.414","0.001","92.566","0.001","109.823","0.001","826.96","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[(2-py)2BMe2)Ni(acac]","","","- C17 H21 B N2 Ni O2 -","- C17 H21 B N2 Ni O2 -","- C34 H42 B2 N4 Ni2 O4 -","2","1","","Celaje, Jeff A.; Pennington-Boggio, Megan K; Flaig, Robinson W.; Richmond, Michael G.; Williams, Travis J.","Synthesis and Characterization of Dimethylbis(2-pyridyl)borate Nickel(II) Complexes: Unimolecular Square-Planar to Square-Planar Rotation around Nickel(II).","Organometallics","2014","33","8","2019","2026","10.1021/om500173j","","","0.71073","MoKα","","0.0222","0.0215","","","0.0599","0.0604","","","","","","1.012","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082951","10.0115","0.0017","12.942","0.002","13.046","0.002","75.115","0.003","77.495","0.003","72.421","0.002","1539.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H29 B Cl N2 Ni P -","- C30 H29 B Cl N2 Ni P -","- C60 H58 B2 Cl2 N4 Ni2 P2 -","2","1","","Celaje, Jeff A.; Pennington-Boggio, Megan K; Flaig, Robinson W.; Richmond, Michael G.; Williams, Travis J.","Synthesis and Characterization of Dimethylbis(2-pyridyl)borate Nickel(II) Complexes: Unimolecular Square-Planar to Square-Planar Rotation around Nickel(II).","Organometallics","2014","33","8","2019","2026","10.1021/om500173j","","","0.71073","MoKα","","0.0664","0.0522","","","0.1342","0.1449","","","","","","1.131","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082952","28.2048","0.0009","15.3209","0.0005","22.6313","0.0007","90","","108.301","0.002","90","","9284.9","0.5","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H64 I N O3 U -","- C44.5 H64 I N O3 U -","- C356 H512 I8 N8 O24 U8 -","8","2","","Matson, Ellen M.; Franke, Sebastian M.; Anderson, Nickolas H.; Cook, Timothy D.; Fanwick, Phillip E.; Bart, Suzanne C.","Radical Reductive Elimination from Tetrabenzyluranium Mediated by an Iminoquinone Ligand","Organometallics","2014","33","8","1964","","10.1021/om4012104","","","1.54184","CU-Kα","","0.082","0.07","","","0.201","0.211","","","","","","1.084","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4082953","11.1583","0.0007","11.8042","0.0007","17.5607","0.0013","77.451","0.006","76.928","0.005","87.574","0.004","2199.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H67 N O3 U -","- C48 H67 N O3 U -","- C96 H134 N2 O6 U2 -","2","1","","Matson, Ellen M.; Franke, Sebastian M.; Anderson, Nickolas H.; Cook, Timothy D.; Fanwick, Phillip E.; Bart, Suzanne C.","Radical Reductive Elimination from Tetrabenzyluranium Mediated by an Iminoquinone Ligand","Organometallics","2014","33","8","1964","","10.1021/om4012104","","","0.71073","MoKα","","0.0533","0.0368","","","0.0769","0.0822","","","","","","1.007","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082954","11.1652","0.0003","11.1044","0.0003","35.4297","0.001","90","","92.594","0.002","90","","4388.2","0.2","150","0.02","150","0.02","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H61 I3 N O4 U -","- C38 H61 I3 N O4 U -","- C152 H244 I12 N4 O16 U4 -","4","1","","Matson, Ellen M.; Franke, Sebastian M.; Anderson, Nickolas H.; Cook, Timothy D.; Fanwick, Phillip E.; Bart, Suzanne C.","Radical Reductive Elimination from Tetrabenzyluranium Mediated by an Iminoquinone Ligand","Organometallics","2014","33","8","1964","","10.1021/om4012104","","","1.54184","CU-Kα","","0.047","0.046","","","0.13","0.131","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082955","8.1036","0.0002","19.4551","0.0004","12.1025","0.0003","90","","100.958","0.002","90","","1873.25","0.08","107.1","0.2","107.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Fe O P -","- C23 H21 Fe O P -","- C92 H84 Fe4 O4 P4 -","4","1","","Korb, Marcus; Schaarschmidt, Dieter; Lang, Heinrich","Anionic Phospho-Fries Rearrangement at Ferrocene: One-Pot Approach to P,O-Substituted Ferrocenes","Organometallics","2014","33","8","2099","","10.1021/om5002827","","","0.71073","MoKα","","0.0346","0.0275","","","0.0633","0.0663","","","","","","1.015","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082956","10.6166","0.0006","30.554","0.0017","11.5573","0.0007","90","","97.308","0.006","90","","3718.5","0.4","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Fe O P S -","- C22 H19 Fe O P S -","- C176 H152 Fe8 O8 P8 S8 -","8","2","","Korb, Marcus; Schaarschmidt, Dieter; Lang, Heinrich","Anionic Phospho-Fries Rearrangement at Ferrocene: One-Pot Approach to P,O-Substituted Ferrocenes","Organometallics","2014","33","8","2099","","10.1021/om5002827","","","0.71073","MoKα","","0.0685","0.0436","","","0.1031","0.1077","","","","","","0.951","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082957","9.1715","0.0007","11.9513","0.0008","13.864","0.001","86.089","0.006","88.87","0.006","76.849","0.006","1476.34","0.19","110","0.1","110","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 P S -","- C16 H19 P S -","- C64 H76 P4 S4 -","4","2","","Korb, Marcus; Schaarschmidt, Dieter; Lang, Heinrich","Anionic Phospho-Fries Rearrangement at Ferrocene: One-Pot Approach to P,O-Substituted Ferrocenes","Organometallics","2014","33","8","2099","","10.1021/om5002827","","","0.71073","MoKα","","0.1004","0.0907","","","0.2353","0.2484","","","","","","1.058","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082958","10.8295","0.0004","15.0948","0.0006","38.8719","0.0015","90","","90.519","0.002","90","","6354.1","0.4","135","","135","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H93 Co I0.04 N4.91 O2 P3 Zr -","- C62 H93 Co I0.0438 N4.9124 O2 P3 Zr -","- C248 H372 Co4 I0.1752 N19.6496 O8 P12 Zr4 -","4","1","","Marquard, Seth L.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Interaction and Activation of Carbon‒Heteroatom π Bonds with a Zr/Co Heterobimetallic Complex","Organometallics","2014","33","8","2071","","10.1021/om500217a","","","0.71073","MoKα","","0.0559","0.036","","0.0798","0.0736","0.0798","","","","","","0.9664","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082959","11.0345","0.0004","14.9619","0.0005","38.6376","0.0013","90","","91.836","0.002","90","","6375.7","0.4","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H97 Co N6 O P3 Zr -","- C67 H97 Co N6 O P3 Zr -","- C268 H388 Co4 N24 O4 P12 Zr4 -","4","1","","Marquard, Seth L.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Interaction and Activation of Carbon‒Heteroatom π Bonds with a Zr/Co Heterobimetallic Complex","Organometallics","2014","33","8","2071","","10.1021/om500217a","","","0.71073","MoKα","","0.07","0.0476","","0.1008","0.0952","0.1008","","","","","","0.9962","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4082960","11.4869","0.0004","13.5596","0.0004","20.2313","0.0007","90.478","0.002","103.055","0.002","91.907","0.002","3067.63","0.18","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H97 Co N3 P3 S Zr -","- C63 H97 Co N3 P3 S Zr -","- C126 H194 Co2 N6 P6 S2 Zr2 -","2","1","","Marquard, Seth L.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Interaction and Activation of Carbon‒Heteroatom π Bonds with a Zr/Co Heterobimetallic Complex","Organometallics","2014","33","8","2071","","10.1021/om500217a","","","0.71073","MoKα","","0.0436","0.0309","","0.0706","0.0668","0.0706","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082961","23.772","0.0008","21.7328","0.0007","25.8611","0.0007","90","","90","","90","","13360.7","0.7","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C59 H85 Co N3 O P3 S Zr -","- C59 H85 Co N3 O P3 S Zr -","- C472 H680 Co8 N24 O8 P24 S8 Zr8 -","8","1","","Marquard, Seth L.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Interaction and Activation of Carbon‒Heteroatom π Bonds with a Zr/Co Heterobimetallic Complex","Organometallics","2014","33","8","2071","","10.1021/om500217a","","","0.71073","MoKα","","0.0649","0.0346","","0.084","0.073","0.084","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4082962","11.3707","0.0015","19.982","0.003","13.084","0.003","90","","108.385","0.008","90","","2821.1","0.9","135","","135","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H84 Co N4 P3 Zr -","- C58 H84 Co N4 P3 Zr -","- C116 H168 Co2 N8 P6 Zr2 -","2","1","","Marquard, Seth L.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Interaction and Activation of Carbon‒Heteroatom π Bonds with a Zr/Co Heterobimetallic Complex","Organometallics","2014","33","8","2071","","10.1021/om500217a","","","0.71073","MoKα","","0.072","0.0567","","0.1378","0.1306","0.1378","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082963","13.6838","0.0008","15.328","0.0009","29.7077","0.0019","80.707","0.004","84.03","0.004","70.574","0.003","5790.7","0.6","135","","135","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H89 Co N4 O0.5 P3 Zr -","- C60 H89 Co N4 O0.5 P3 Zr -","- C240 H356 Co4 N16 O2 P12 Zr4 -","4","2","","Marquard, Seth L.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Interaction and Activation of Carbon‒Heteroatom π Bonds with a Zr/Co Heterobimetallic Complex","Organometallics","2014","33","8","2071","","10.1021/om500217a","","","0.71073","MoKα","","0.0947","0.0514","","0.0991","0.0879","0.0991","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4082964","10.5322","0.0011","27.861","0.002","6.5319","0.0006","90","","90","","90","","1916.7","0.3","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 2","P 2 2ab","18","","","","- C40 H46 Cl2 O8 Ti -","- C40 H46 Cl2 O8 Ti -","- C80 H92 Cl4 O16 Ti2 -","2","0.5","","Hodík, Tomáš; Lamač, Martin; Červenková Št’astná, Lucie; Karban, Jindřich; Koubková, Lucie; Hrstka, Roman; Císařová, Ivana; Pinkas, Jiří","Titanocene Dihalides and Ferrocenes Bearing a Pendant α-d-Xylofuranos-5-yl or α-d-Ribofuranos-5-yl Moiety. Synthesis, Characterization, and Cytotoxic Activity","Organometallics","2014","33","8","2059","","10.1021/om500200r","","","0.71073","MoKα","","0.031","0.0285","","","0.072","0.0733","","","","","","1.063","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082965","12.4171","0.0008","20.398","0.0015","18.7584","0.0013","90","","91.922","0.004","90","","4748.5","0.6","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 B Cl2 N2 P3 Ru -","- C50 H44 B Cl2 N2 P3 Ru -","- C200 H176 B4 Cl8 N8 P12 Ru4 -","4","1","","Hill, Anthony F.; McQueen, Caitlin M. A.","Arrested B‒H Activation en Route to Installation of a PBP Pincer Ligand on Ruthenium and Osmium","Organometallics","2014","33","8","1977","","10.1021/om5001106","","","0.71073","MoKα","","0.1568","0.0892","","0.1807","0.1423","0.1807","","","","","","1.0101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082966","12.4233","0.0001","20.3953","0.0002","18.8159","0.0002","90","","92.0176","0.0006","90","","4764.56","0.08","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H48 B Cl2 N2 Os P3 -","- C53.5 H48 B Cl2 N2 Os P3 -","- C214 H192 B4 Cl8 N8 Os4 P12 -","4","1","","Hill, Anthony F.; McQueen, Caitlin M. A.","Arrested B‒H Activation en Route to Installation of a PBP Pincer Ligand on Ruthenium and Osmium","Organometallics","2014","33","8","1977","","10.1021/om5001106","","","0.71073","MoKα","","0.0272","0.0219","","0.0538","0.0514","0.0538","","","","","","0.9856","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082967","11.2613","0.0004","11.7881","0.0004","20.518","0.0008","100.145","0.0016","95.749","0.002","118.133","0.0017","2311.12","0.15","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H50 B Cl N4 P2 Ru -","- C52 H50 B Cl N4 P2 Ru -","- C104 H100 B2 Cl2 N8 P4 Ru2 -","2","1","","Hill, Anthony F.; McQueen, Caitlin M. A.","Arrested B‒H Activation en Route to Installation of a PBP Pincer Ligand on Ruthenium and Osmium","Organometallics","2014","33","8","1977","","10.1021/om5001106","","","0.71073","MoKα","","0.1882","0.0747","","0.1269","0.0997","0.1269","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082968","11.3173","0.0003","9.5521","0.0003","20.2125","0.0005","90","","93.674","0.002","90","","2180.56","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","1695 afzi666 (R,S~Fc~,S~Fc~)-2.(BH3)2.CH2Cl2","(S~Fc~)-2-((R)-1-Diphenylphosphinoethyl)-(S~Fc~)-2''-diphenylphosphino- 1,1''-biferrocene P,P'' bis-borane dichloromethane solvate, (R,S~Fc~,S~Fc~)-2.(BH3)2.CH2Cl2","","- C47 H48 B2 Cl2 Fe2 P2 -","- C46 H46 B2 Fe2 P2 -","- C92 H92 B4 Fe4 P4 -","2","1","","Zirakzadeh, Afrooz; Groß, Manuela A; Wang, Yaping; Mereiter, Kurt; Weissensteiner, Walter","Walphos versus Biferrocene-Based Walphos Analogues in the Asymmetric Hydrogenation of Alkenes and Ketones.","Organometallics","2014","33","8","1945","1952","10.1021/om401074a","","","0.71073","MoKα","","0.0342","0.0289","","","0.0659","0.0679","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082969","7.3616","0.0003","18.1714","0.0007","22.4087","0.0009","90","","99.319","0.002","90","","2958.1","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","1573 yw32-2 (R,S~Fc~,S~Fc~)-6 xx3","(R,S~Fc~,S~Fc~)-2-[1-(N,N-Dimethylamino)ethyl]-2''-diphenylphosphino- 1,1''-biferrocene, (R,S~Fc~,S~Fc~)-6","","- C36 H36 Fe2 N P -","- C36 H36 Fe2 N P -","- C144 H144 Fe8 N4 P4 -","4","2","","Zirakzadeh, Afrooz; Groß, Manuela A; Wang, Yaping; Mereiter, Kurt; Weissensteiner, Walter","Walphos versus Biferrocene-Based Walphos Analogues in the Asymmetric Hydrogenation of Alkenes and Ketones.","Organometallics","2014","33","8","1945","1952","10.1021/om401074a","","","0.71073","MoKα","","0.0472","0.0406","","","0.0827","0.0847","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082970","10.4728","0.0004","8.1019","0.0003","17.7567","0.0006","90","","100.508","0.002","90","","1481.38","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","1651 (R,S~Fc~,S~Fc~)-7","(R,S~Fc~,S~Fc~)-2-[1-(N,N-Dimethylamino)ethyl]-2''-diphenylphosphinyl- 1,1''-biferrocene, (R,S~Fc~,S~Fc~)-7","","- C36 H36 Fe2 N O P -","- C36 H36 Fe2 N O P -","- C72 H72 Fe4 N2 O2 P2 -","2","1","","Zirakzadeh, Afrooz; Groß, Manuela A; Wang, Yaping; Mereiter, Kurt; Weissensteiner, Walter","Walphos versus Biferrocene-Based Walphos Analogues in the Asymmetric Hydrogenation of Alkenes and Ketones.","Organometallics","2014","33","8","1945","1952","10.1021/om401074a","","","0.71073","MoKα","","0.0197","0.0194","","","0.0515","0.0516","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082971","5.1607","0.0003","14.5382","0.001","18.2175","0.0013","103.232","0.006","98.132","0.005","99.232","0.005","1290.51","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Br N3 O0.5 -","- C12 H15 Br N3 O0.5 -","- C48 H60 Br4 N12 O2 -","4","2","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","0.7107","MoKα","","0.0485","0.0354","","","0.0727","0.0801","","","","","","1.056","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082972","9.813","0.0009","13.5394","0.001","12.4616","0.001","90","","100.192","0.004","90","","1629.5","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Br N3 -","- C17 H18 Br N3 -","- C68 H72 Br4 N12 -","4","1","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","0.71073","MoKα","","0.0273","0.0222","","","0.056","0.0576","","","","","","1.06","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082973","15.7608","0.0007","7.0808","0.0003","23.1906","0.0009","90","","96.19","0.004","90","","2572.96","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Ag2 Br2 N6 -","- C24 H26 Ag2 Br2 N6 -","- C96 H104 Ag8 Br8 N24 -","4","0.5","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","0.7107","MoKα","","0.0365","0.0302","","","0.0619","0.0656","","","","","","1.045","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082974","6.8081","0.0008","13.478","0.0013","13.8979","0.0013","90","","92.591","0.009","90","","1274","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Br Cu N3 -","- C12 H13 Br Cu N3 -","- C48 H52 Br4 Cu4 N12 -","4","1","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","0.7107","MoKα","","0.0435","0.0372","","","0.0923","0.096","","","","","","1.065","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082975","11.7314","0.0006","8.2776","0.0004","16.4014","0.0007","90","","100.032","0.005","90","","1568.35","0.13","99.96","0.14","99.96","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Br2 Cl4 Cu2 N6 -","- C26 H30 Br2 Cl4 Cu2 N6 -","- C52 H60 Br4 Cl8 Cu4 N12 -","2","0.5","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","0.71073","MoKα","","0.0636","0.0429","","","0.0839","0.0937","","","","","","1.035","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082976","9.7104","0.0005","11.0398","0.0006","15.3078","0.0008","90","","104.019","0.001","90","","1592.13","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Br2 Cu2 N6 -","- C34 H34 Br2 Cu2 N6 -","- C68 H68 Br4 Cu4 N12 -","2","0.5","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","0.71073","MoKα","","0.0438","0.0285","","","0.063","0.0672","","","","","","1.046","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082977","20.8642","0.001","8.9422","0.0004","23.5483","0.001","90","","90.963","0.002","90","","4392.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Br2.4 Cl13.6 Cu2 N6 -","- C26 H26 Br2.4 Cl13.6 Cu2 N6 -","- C104 H104 Br9.6 Cl54.4 Cu8 N24 -","4","1","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","0.71073","MoKα","","0.1205","0.0599","","","0.1404","0.1672","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082978","7.3691","0.001","11.7443","0.0014","14.3091","0.0019","84.446","0.005","87.611","0.005","89.928","0.005","1231.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Br3 Cu2 N6 -","- C22 H22 Br3 Cu2 N6 -","- C44 H44 Br6 Cu4 N12 -","2","1","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","0.71073","MoKα","","0.0684","0.0443","","","0.0958","0.1054","","","","","","1.013","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082979","14.6616","0.0006","12.1029","0.0004","15.9899","0.0006","90","","102.622","0.004","90","","2768.8","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Br3 Cu2 N6 -","- C24 H26 Br3 Cu2 N6 -","- C96 H104 Br12 Cu8 N24 -","4","1","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","0.71073","MoKα","","0.0943","0.0577","","","0.1433","0.1661","","","","","","1.034","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082980","30.804","0.002","9.2483","0.0006","21.9433","0.0012","90","","98.203","0.006","90","","6187.4","0.7","100","0.3","100","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H50 Br8 Cl6 Cu4 N12 -","- C47 H50 Br8 Cl6 Cu4 N12 -","- C188 H200 Br32 Cl24 Cu16 N48 -","4","0.5","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","0.71073","MoKα","","0.0705","0.0441","","","0.087","0.0959","","","","","","1.059","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082981","11.8735","0.0005","11.8735","0.0005","21.5549","0.001","90","","90","","120","","2631.7","0.2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C16 H16 Br2 Cu N4 -","- C16 H16 Br2 Cu N4 -","- C96 H96 Br12 Cu6 N24 -","6","1","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","0.71073","MoKα","","0.0398","0.0336","","","0.0582","0.061","","","","","","1.03","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082982","8.241","0.0003","13.9377","0.0005","12.2518","0.0004","90","","95.114","0.003","90","","1401.65","0.09","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Br2 Cu N3 -","- C12 H13 Br2 Cu N3 -","- C48 H52 Br8 Cu4 N12 -","4","1","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","0.71073","MoKα","","0.0483","0.0356","","","0.0643","0.0703","","","","","","1.036","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082983","12.4531","0.0008","11.7823","0.0009","15.7477","0.0018","90","","93.976","0.007","90","","2305","0.4","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Br2 Cu N5 -","- C22 H23 Br2 Cu N5 -","- C88 H92 Br8 Cu4 N20 -","4","1","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","0.71073","MoKα","","0.0781","0.0442","","","0.075","0.0855","","","","","","1.005","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082984","7.8047","0.0002","12.1711","0.0002","15.4734","0.0003","90","","102.211","0.002","90","","1436.59","0.05","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Br2 Cu N3 O -","- C12 H13 Br2 Cu N3 O -","- C48 H52 Br8 Cu4 N12 O4 -","4","1","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","1.54184","CuKα","","0.0235","0.0204","","","0.0468","0.0484","","","","","","1.035","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082985","20.3292","0.0007","12.6548","0.0003","17.0258","0.0005","90","","102.552","0.003","90","","4275.4","0.2","99.9","0.4","99.9","0.4","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H45 Br4 Cu2 N6 O5 S2 -","- C33 H45 Br4 Cu2 N6 O5 S2 -","- C132 H180 Br16 Cu8 N24 O20 S8 -","4","0.5","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","1.54184","CuKα","","0.046","0.0392","","","0.1064","0.1125","","","","","","1.05","","","","has coordinates,has disorder","178718","2020-10-21","18:00:00",""
"4082986","36.5062","0.0009","36.5062","0.0009","10.6415","0.0003","90","","90","","120","","12281.9","0.6","99.9","0.3","99.9","0.3","","","","","","","","6","R -3 :H","-R 3","148","","","","- C22 H23 Br2 Cu N5 O -","- C22 H23 Br2 Cu N5 O -","- C396 H414 Br36 Cu18 N90 O18 -","18","1","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","1.54184","CuKα","","0.0624","0.0488","","","0.1264","0.1344","","","","","","1.007","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082987","7.0531","0.0002","13.1532","0.0008","13.4067","0.0005","89.147","0.004","88.799","0.003","82.046","0.004","1231.42","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 Br Cu F6 N6 P -","- C22 H22 Br Cu F6 N6 P -","- C44 H44 Br2 Cu2 F12 N12 P2 -","2","1","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","1.54184","CuKα","","0.0875","0.0706","","","0.1848","0.1917","","","","","","1.161","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082988","13.2357","0.0004","14.5874","0.0004","15.6494","0.0005","62.942","0.003","89.791","0.002","88.691","0.002","2690.01","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 Br Cu F6 N6 P -","- C24 H26 Br Cu F6 N6 P -","- C96 H104 Br4 Cu4 F24 N24 P4 -","4","2","","Lake, Benjamin R. M.; Willans, Charlotte E.","Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether","Organometallics","2014","33","8","2027","","10.1021/om500178e","","","1.54184","CuKα","","0.0359","0.0312","","","0.0837","0.0876","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082989","15.511","0.003","22.772","0.005","8.036","0.002","90","","90","","90","","2838.4","1.1","93","","93","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H40 Au Cl N2 O2 -","- C29 H40 Au Cl N2 O2 -","- C116 H160 Au4 Cl4 N8 O8 -","4","0.5","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0324","","","","0.0554","","","","","","1.027","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082990","15.436","0.004","22.566","0.005","8.2324","0.0015","90","","90","","90","","2867.6","1.1","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H42 Au Cl N2 O2 -","- C29 H42 Au Cl N2 O2 -","- C116 H168 Au4 Cl4 N8 O8 -","4","0.5","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0292","","","","0.068","","","","","","0.749","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082991","12.772","0.001","21.6081","0.0017","22.5864","0.0018","90","","100.174","0.0013","90","","6135.3","0.8","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H59 Au Cl N2 O2 -","- C72 H59 Au Cl N2 O2 -","- C288 H236 Au4 Cl4 N8 O8 -","4","1","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0615","","","","0.1885","","","","","","1.077","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082992","18.189","0.004","15.873","0.003","23.858","0.006","90","","112.197","0.003","90","","6378","2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 N2 Ni O5 -","- C32 H40 N2 Ni O5 -","- C256 H320 N16 Ni8 O40 -","8","2","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.1077","","","","0.1731","","","","","","1.298","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082993","8.979","0.003","23.486","0.007","15.864","0.005","90","","105.509","0.007","90","","3223.6","1.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 N2 Ni O5 -","- C32 H42 N2 Ni O5 -","- C128 H168 N8 Ni4 O20 -","4","1","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0681","","","","0.188","","","","","","1.071","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082994","18.964","0.003","18.964","0.003","17.9495","0.0014","90","","90","","120","","5590.4","1.3","173","","173","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C39 H54 Cl Ir N2 O2 -","- C39 H54 Cl Ir N2 O2 -","- C234 H324 Cl6 Ir6 N12 O12 -","6","0.5","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0273","","","","0.0569","","","","","","1.095","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082995","10.254","0.003","16.324","0.005","24.961","0.008","90","","96.229","0.009","90","","4153","2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 Cl Ir N2 O2 -","- C37 H54 Cl Ir N2 O2 -","- C148 H216 Cl4 Ir4 N8 O8 -","4","1","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0938","","","","0.27","","","","","","1.096","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082996","14.0898","0.0009","21.2062","0.0014","21.5404","0.0014","90","","90","","90","","6436.1","0.7","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C79 H72 Cl Ir N2 O0.5 -","- C79 H72 Cl Ir N2 O0.5 -","- C316 H288 Cl4 Ir4 N8 O2 -","4","1","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0307","","","","0.0894","","","","","","0.934","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082997","14.4914","0.0011","21.245","0.0016","21.327","0.0016","90","","90","","90","","6565.9","0.9","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C79.5 H74 Cl Ir N2 O2 -","- C79.5 H74 Cl Ir N2 O2 -","- C318 H296 Cl4 Ir4 N8 O8 -","4","1","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0278","","","","0.0832","","","","","","1.054","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082998","19.55","0.03","7.027","0.012","20.4","0.04","90","","101.251","0.016","90","","2749","8","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 N2 Se -","- C27 H36 N2 Se -","- C108 H144 N8 Se4 -","4","1","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.089","","","","0.266","","","","","","1.06","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082999","9.514","0.011","13.957","0.015","21.38","0.02","90","","99.962","0.013","90","","2796","5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 N2 O2 Se -","- C29 H40 N2 O2 Se -","- C116 H160 N8 O8 Se4 -","4","1","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0519","","","","0.1962","","","","","","1.061","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4083000","19.276","0.006","6.9627","0.0018","20.508","0.007","90","","106.681","0.007","90","","2636.6","1.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 N2 Se -","- C27 H38 N2 Se -","- C108 H152 N8 Se4 -","4","1","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0964","","","","0.1904","","","","","","1.031","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083001","10.9976","0.0009","13.7065","0.001","18.7135","0.0015","90","","90","","90","","2820.8","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H42 N2 O2 Se -","- C29 H42 N2 O2 Se -","- C116 H168 N8 O8 Se4 -","4","1","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0194","","","","0.0462","","","","","","0.971","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083002","19.5273","0.0017","14.7874","0.0013","20.4755","0.0018","90","","90","","90","","5912.5","0.9","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C69.5 H57 Cl N2 Se -","- C69.5 H57 Cl0.9999 N2 Se -","- C278 H228 Cl3.9996 N8 Se4 -","4","1","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.077","","","","0.2364","","","","","","0.996","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083003","19.5267","0.0011","14.8249","0.0009","20.1659","0.0011","90","","90","","90","","5837.7","0.6","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C70.5 H59 N2 O2.5 Se -","- C70.5 H59 N2 O2.5 Se -","- C282 H236 N8 O10 Se4 -","4","1","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0452","","","","0.1368","","","","","","0.838","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083004","22.244","0.0003","8.918","0.0002","22.7","0.0004","90","","111.057","0.001","90","","4202.35","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H52 N2 P2 Rh -","- C51 H52 N2 P2 Rh -","- C204 H208 N8 P8 Rh4 -","4","1","","Bramananthan, Nicola; Carmona, María; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Rh‒FHF and Rh‒F Complexes Containing SmallN-Alkyl Substituted Six-Membered Ring N-Heterocyclic Carbenes","Organometallics","2014","33","8","1986","","10.1021/om500122e","","","0.71073","MoKα","","0.0479","0.0337","","","0.081","0.0887","","","","","","1.033","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083005","9.061","0.0001","15.746","0.0002","12.85","0.0002","90","","92.849","0.001","90","","1831.1","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H47 N2 P2 Rh -","- C44 H47 N2 P2 Rh -","- C88 H94 N4 P4 Rh2 -","2","1","","Bramananthan, Nicola; Carmona, María; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Rh‒FHF and Rh‒F Complexes Containing SmallN-Alkyl Substituted Six-Membered Ring N-Heterocyclic Carbenes","Organometallics","2014","33","8","1986","","10.1021/om500122e","","","0.71073","MoKα","","0.0277","0.025","","","0.0567","0.0581","","","","","","1.032","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083006","12.446","0.0003","17.802","0.0004","17.021","0.0003","90","","98.68","0.001","90","","3728.04","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H43 F2 N2 P2 Rh -","- C42 H43 F2 N2 P2 Rh -","- C168 H172 F8 N8 P8 Rh4 -","4","1","","Bramananthan, Nicola; Carmona, María; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Rh‒FHF and Rh‒F Complexes Containing SmallN-Alkyl Substituted Six-Membered Ring N-Heterocyclic Carbenes","Organometallics","2014","33","8","1986","","10.1021/om500122e","","","0.71073","MoKα","","0.0552","0.033","","","0.0678","0.0752","","","","","","1.038","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083007","9.429","0.0002","18.038","0.0005","22.76","0.0005","90","","95.474","0.001","90","","3853.37","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H47 F2 N2 P2 Rh -","- C44 H47 F2 N2 P2 Rh -","- C176 H188 F8 N8 P8 Rh4 -","4","1","","Bramananthan, Nicola; Carmona, María; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Rh‒FHF and Rh‒F Complexes Containing SmallN-Alkyl Substituted Six-Membered Ring N-Heterocyclic Carbenes","Organometallics","2014","33","8","1986","","10.1021/om500122e","","","0.71073","MoKα","","0.0806","0.0423","","","0.0743","0.0872","","","","","","1.059","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083008","39.242","0.0003","10.523","0.0001","21.699","0.0002","90","","100.023","0.001","90","","8823.71","0.14","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H54 Cl0 F3 N2 O0.5 P2 Rh -","- C47 H50 F3 N2 P2 Rh -","- C376 H400 F24 N16 P16 Rh8 -","8","1","","Bramananthan, Nicola; Carmona, María; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Rh‒FHF and Rh‒F Complexes Containing SmallN-Alkyl Substituted Six-Membered Ring N-Heterocyclic Carbenes","Organometallics","2014","33","8","1986","","10.1021/om500122e","","","0.71073","MoKα","","0.0321","0.0268","","","0.0703","0.0728","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083009","10.944","0.0001","11.705","0.0001","18.82","0.0003","75.049","0.001","87.841","0.001","69.93","0.001","2184.34","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H57 Cl N2 P2 Rh -","- C49 H57 Cl N2 P2 Rh -","- C98 H114 Cl2 N4 P4 Rh2 -","2","1","","Bramananthan, Nicola; Carmona, María; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Rh‒FHF and Rh‒F Complexes Containing SmallN-Alkyl Substituted Six-Membered Ring N-Heterocyclic Carbenes","Organometallics","2014","33","8","1986","","10.1021/om500122e","","","0.71073","MoKα","","0.0472","0.0378","","","0.0927","0.0982","","","","","","1.059","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083010","13.45","0.0002","15.592","0.0002","16.023","0.0003","109.047","0.001","109.266","0.001","102.719","0.001","2788.66","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H69 Cl F6 N4 P3 Rh -","- C58 H69 Cl F6 N4 P3 Rh -","- C116 H138 Cl2 F12 N8 P6 Rh2 -","2","1","","Bramananthan, Nicola; Carmona, María; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Rh‒FHF and Rh‒F Complexes Containing SmallN-Alkyl Substituted Six-Membered Ring N-Heterocyclic Carbenes","Organometallics","2014","33","8","1986","","10.1021/om500122e","","","0.71073","MoKα","","0.1033","0.077","","","0.1973","0.2081","","","","","","1.224","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083011","14.6958","0.0019","18.567","0.002","19.811","0.004","90","","90","","90","","5405.6","1.4","100","2","100","2","","","","","","","","8","P c 21 b","P -2bc -2c","29","","","","- C50 H43 As4 F N O18 P V4 -","- C50 H43 As4 F N O18 P V4 -","- C200 H172 As16 F4 N4 O72 P4 V16 -","4","1","","Rabeah, Jabor; Dimitrov, Anton; Surkus, Annette-Enrica; Jiao, Haijun; Baumann, Wolfgang; Stößer, Reinhard; Radnik, Jörg; Bentrup, Ursula; Brückner, Angelika","Control of Bridging Ligands in [(V2O3)2(RXO3)4⊂F]−Cage Complexes: A Unique Way To Tune Their Chemical Properties","Organometallics","2014","33","18","4905","","10.1021/om500153d","","","0.71073","MoKα","","0.0456","0.0344","","","0.0452","0.0462","","","","","","1.19","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083012","14.6313","0.0012","19.8067","0.0017","16.2085","0.0014","90","","99.723","0.002","90","","4629.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H42 Br4 Cl3 N3 P2 Pd2 -","- C42.5 H42 Br4 Cl3 N3 P2 Pd2 -","- C170 H168 Br16 Cl12 N12 P8 Pd8 -","4","1","","Guo, Shuai; Huynh, Han Vinh","Dinuclear Triazole-Derived Janus-Type N-Heterocyclic Carbene Complexes of Palladium: Syntheses, Isomerizations, and Catalytic Studies toward Direct C5-Arylation of Imidazoles","Organometallics","2014","33","8","2004","","10.1021/om500139b","","","0.71073","MoKα","","0.0553","0.0416","","","0.1056","0.1113","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083013","16.028","0.0013","14.1822","0.0012","30.13","0.003","90","","91.669","0.002","90","","6846","1.1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H69 Br4 Cl6 N3 O P4 Pd2 -","- C62 H67 Br4 Cl6 N3 O P4 Pd2 -","- C248 H268 Br16 Cl24 N12 O4 P16 Pd8 -","4","1","","Guo, Shuai; Huynh, Han Vinh","Dinuclear Triazole-Derived Janus-Type N-Heterocyclic Carbene Complexes of Palladium: Syntheses, Isomerizations, and Catalytic Studies toward Direct C5-Arylation of Imidazoles","Organometallics","2014","33","8","2004","","10.1021/om500139b","","","0.71073","MoKα","","0.0721","0.0536","","","0.1262","0.1331","","","","","","1.046","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083014","7.8629","0.0008","7.5919","0.0008","37.124","0.004","90","","92.747","0.003","90","","2213.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br2 N3 P Pd -","- C22 H22 Br2 N3 P Pd -","- C88 H88 Br8 N12 P4 Pd4 -","4","1","","Guo, Shuai; Huynh, Han Vinh","Dinuclear Triazole-Derived Janus-Type N-Heterocyclic Carbene Complexes of Palladium: Syntheses, Isomerizations, and Catalytic Studies toward Direct C5-Arylation of Imidazoles","Organometallics","2014","33","8","2004","","10.1021/om500139b","","","0.71073","MoKα","","0.0745","0.0494","","","0.0918","0.0997","","","","","","1.054","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083015","14.413","0.003","16.861","0.003","29.284","0.006","90","","90","","90","","7117","2","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H60 Al4 N4 -","- C25 H60 Al4 N4 -","- C200 H480 Al32 N32 -","8","1","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Bis-Amidinate‒Alane Complexes","Organometallics","2014","33","8","2080","","10.1021/om5002217","","","0.71073","MoKα","","0.0838","0.0471","","","0.1027","0.1216","","","","","","1.075","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083016","9.542","0.0004","14.843","0.0006","13.2769","0.0005","90","","102.365","0.002","90","","1836.81","0.13","180","1","180","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H62 Al4 N4 -","- C26 H62 Al4 N4 -","- C52 H124 Al8 N8 -","2","0.5","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Bis-Amidinate‒Alane Complexes","Organometallics","2014","33","8","2080","","10.1021/om5002217","","","0.71073","MoKα","","0.0493","0.0387","","","0.1074","0.1166","","","","","","1.052","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083017","7.7024","0.0008","16.6621","0.0016","12.4291","0.0012","90","","98.243","0.005","90","","1578.6","0.3","180","1","180","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H54 Al4 N4 -","- C22 H54 Al4 N4 -","- C44 H108 Al8 N8 -","2","0.5","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Bis-Amidinate‒Alane Complexes","Organometallics","2014","33","8","2080","","10.1021/om5002217","","","0.71073","MoKα","","0.0597","0.0389","","","0.0979","0.1093","","","","","","1.042","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083018","9.106","0.0004","12.767","0.0005","18.6329","0.0007","90","","103.725","0.002","90","","2104.34","0.15","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Al2 N4 -","- C16 H36 Al2 N4 -","- C64 H144 Al8 N16 -","4","1","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Bis-Amidinate‒Alane Complexes","Organometallics","2014","33","8","2080","","10.1021/om5002217","","","0.71073","MoKα","","0.0562","0.0443","","","0.1136","0.1252","","","","","","1.063","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083019","6.713","0.0017","26.14","0.007","9.811","0.003","90","","100.626","0.01","90","","1692.1","0.8","110","1","110","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N4 -","- C19 H22 N4 -","- C76 H88 N16 -","4","1","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Bis-Amidinate‒Alane Complexes","Organometallics","2014","33","8","2080","","10.1021/om5002217","","","0.71073","MoKα","","0.1126","0.0486","","","0.0877","0.108","","","","","","1","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083020","18.5848","0.001","12.7364","0.0007","17.1802","0.0009","90","","103.854","0.003","90","","3948.3","0.4","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H34 Al2 N4 -","- C15 H34 Al2 N4 -","- C120 H272 Al16 N32 -","8","2","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Bis-Amidinate‒Alane Complexes","Organometallics","2014","33","8","2080","","10.1021/om5002217","","","0.71073","MoKα","","0.0866","0.0401","","","0.0937","0.117","","","","","","1.029","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083021","8.527","0.0002","11.6905","0.0003","12.238","0.0003","90","","98.484","0.001","90","","1206.59","0.05","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H42 Al2 N4 -","- C19 H42 Al2 N4 -","- C38 H84 Al4 N8 -","2","1","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Bis-Amidinate‒Alane Complexes","Organometallics","2014","33","8","2080","","10.1021/om5002217","","","0.71073","MoKα","","0.0343","0.0301","","","0.0775","0.0803","","","","","","1.057","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083022","12.9266","0.0015","8.8077","0.001","16.9629","0.0019","90","","94.152","0.003","90","","1926.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H72 N8 Zn4 -","- C30 H72 N8 Zn4 -","- C60 H144 N16 Zn8 -","2","0.5","","Rit, Arnab; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun","Mixed Alkyl Hydrido Complexes of Zinc: Synthesis, Structure, and Reactivity","Organometallics","2014","33","8","2039","","10.1021/om500190c","","","0.71073","MoKα","","0.1045","0.0618","","","0.145","0.171","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083023","24.9574","0.0015","24.9574","0.0015","13.8473","0.0009","90","","90","","90","","8625.1","0.9","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C46 H60 N4 Zn2 -","- C46 H60 N4 Zn2 -","- C368 H480 N32 Zn16 -","8","1","","Rit, Arnab; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun","Mixed Alkyl Hydrido Complexes of Zinc: Synthesis, Structure, and Reactivity","Organometallics","2014","33","8","2039","","10.1021/om500190c","","","0.71073","MoKα","","0.0672","0.0444","","","0.0903","0.0996","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083024","15.503","0.003","13.903","0.003","24.598","0.004","90","","110.408","0.01","90","","4969","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 N4 O5 Zn2 -","- C50 H66 N4 O5 Zn2 -","- C200 H264 N16 O20 Zn8 -","4","1","","Rit, Arnab; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun","Mixed Alkyl Hydrido Complexes of Zinc: Synthesis, Structure, and Reactivity","Organometallics","2014","33","8","2039","","10.1021/om500190c","","","0.71073","MoKα","","0.081","0.0464","","","0.1071","0.1185","","","","","","0.907","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083025","22.6236","0.001","15.9132","0.0007","30.8713","0.0011","90","","114.178","0.002","90","","10139.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C103 H136 N8 O11 Zn5 -","- C103 H136 N8 O11 Zn5 -","- C412 H544 N32 O44 Zn20 -","4","1","","Rit, Arnab; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun","Mixed Alkyl Hydrido Complexes of Zinc: Synthesis, Structure, and Reactivity","Organometallics","2014","33","8","2039","","10.1021/om500190c","","","0.71073","MoKα","","0.1173","0.0634","","","0.1413","0.169","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083026","27.873","0.002","14.3664","0.001","31.753","0.003","90","","105.884","0.002","90","","12229.5","1.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C138 H160 N8 O4 Yb3 -","- C138 H94 N8 O4 Yb3 -","- C552 H376 N32 O16 Yb12 -","4","0.5","","Jiang, Yinyin; Zhu, Xi; Chen, Muzi; Wang, Yaorong; Yao, Yingming; Wu, Bing; Shen, Qi","Synthesis and Structural Characterization of Mixed-Valent Ytterbium and Europium Complexes Supported by a Phenoxy(quinolinyl)amide Ligand","Organometallics","2014","33","8","1972","","10.1021/om5000198","","","0.71075","MoKα","","0.1022","0.0749","","","0.1493","0.166","","","","","","1.133","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083027","14.7809","0.0005","15.3099","0.0008","28.41","0.002","82.961","0.007","79.21","0.007","65.305","0.005","5730.7","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C255 H296 Eu6 N16 O8 -","- C255 H152 Eu6 N16 O8 -","- C255 H152 Eu6 N16 O8 -","1","0.5","","Jiang, Yinyin; Zhu, Xi; Chen, Muzi; Wang, Yaorong; Yao, Yingming; Wu, Bing; Shen, Qi","Synthesis and Structural Characterization of Mixed-Valent Ytterbium and Europium Complexes Supported by a Phenoxy(quinolinyl)amide Ligand","Organometallics","2014","33","8","1972","","10.1021/om5000198","","","0.71075","MoKα","","0.1213","0.087","","","0.1611","0.1785","","","","","","1.174","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083028","13.4137","0.0007","28.773","0.0016","18.3177","0.001","90","","90.87","0.001","90","","7068.9","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H92 N6 O3 Yb2 -","- C79 H84 N6 O3 Yb2 -","- C316 H336 N24 O12 Yb8 -","4","1","","Jiang, Yinyin; Zhu, Xi; Chen, Muzi; Wang, Yaorong; Yao, Yingming; Wu, Bing; Shen, Qi","Synthesis and Structural Characterization of Mixed-Valent Ytterbium and Europium Complexes Supported by a Phenoxy(quinolinyl)amide Ligand","Organometallics","2014","33","8","1972","","10.1021/om5000198","","","0.71073","MoKα","","0.0899","0.0432","","","0.0786","0.0911","","","","","","0.987","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083029","48.357","0.005","39.213","0.004","8.8404","0.0007","90","","90","","90","","16763","3","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H61 N3 O4 Si2 Sm -","- C36 H61 N3 O4 Si2 Sm -","- C576 H976 N48 O64 Si32 Sm16 -","16","1","","Jiang, Yinyin; Zhu, Xi; Chen, Muzi; Wang, Yaorong; Yao, Yingming; Wu, Bing; Shen, Qi","Synthesis and Structural Characterization of Mixed-Valent Ytterbium and Europium Complexes Supported by a Phenoxy(quinolinyl)amide Ligand","Organometallics","2014","33","8","1972","","10.1021/om5000198","","","0.71075","MoKα","","0.0534","0.0485","","","0.0821","0.0844","","","","","","1.135","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083030","13.117","0.0003","13.117","0.0003","27.3137","0.0008","90","","90","","120","","4069.87","0.18","90","2","90","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C50 H66 Cl3 Fe2 Si6 -","- C50 H66 Cl3 Fe2 Si6 -","- C100 H132 Cl6 Fe4 Si12 -","2","0.166667","","Zhao, Pei; Brown, Zachary; Fettinger, James C.; Grandjean, Fernande; Long, Gary J.; Power, Philip P.","Synthesis and Structural Characterization of a Dimeric Cobalt(I) Homoleptic Alkyl and an Iron(II) Alkyl Halide Complex","Organometallics","2014","33","8","1917","","10.1021/om500180u","","","1.54178","CuKα","","0.0442","0.0427","","","0.107","0.1078","","","","","","1.155","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083031","14.5975","0.0005","20.7884","0.0007","18.9874","0.0007","90","","108.744","0.002","90","","5456.3","0.3","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H80 Co2 Si6 -","- C56 H80 Co2 Si6 -","- C224 H320 Co8 Si24 -","4","1","","Zhao, Pei; Brown, Zachary; Fettinger, James C.; Grandjean, Fernande; Long, Gary J.; Power, Philip P.","Synthesis and Structural Characterization of a Dimeric Cobalt(I) Homoleptic Alkyl and an Iron(II) Alkyl Halide Complex","Organometallics","2014","33","8","1917","","10.1021/om500180u","","","1.54178","CuKα","","0.0403","0.0355","","","0.0909","0.0936","","","","","","1.025","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083032","13.5362","0.0007","15.1262","0.0006","18.9707","0.0009","90","","93.72","0.003","90","","3876.1","0.3","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 F3 O2.5 P2 Pd -","- C43 H35 F2.97 O2.25 P2 Pd -","- C172 H140 F11.88 O9 P8 Pd4 -","4","1","","Hirano, Masafumi; Kawazu, Sosuke; Komine, Nobuyuki","Direct Access to Fluorene by Successive C–O/C–H Bond Activations of 2-Phenylbenzyl Ester","Organometallics","2014","33","8","1921","","10.1021/om5001869","","","0.71075","MoKα","","","0.0738","","","","0.2091","","","","","","1.054","","","","has coordinates","275198","2022-05-07","03:17:45",""
"4083033","19.513","0.002","13.4026","0.0016","17.861","0.002","90","","90","","90","","4671.1","0.9","100","2","100","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C56 H57 Cl Ni P2 -","- C56.007 H57.007 Cl Ni P2 -","- C224.028 H228.028 Cl4 Ni4 P8 -","4","1","","Standley, Eric A.; Smith, Stacey J.; Müller, Peter; Jamison, Timothy F.","A Broadly Applicable Strategy for Entry into Homogeneous Nickel(0) Catalysts from Air-Stable Nickel(II) Complexes.","Organometallics","2014","33","8","2012","2018","10.1021/om500156q","","","0.71073","MoKα","","0.0585","0.0543","","","0.1478","0.15","","","","","","1.081","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083034","10.0063","0.0011","10.9419","0.0012","12.6991","0.0013","112.352","0.002","91.166","0.002","105.448","0.002","1227.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 Br Ni O2 P2 -","- C24 H31 Br Ni O2 P2 -","- C48 H62 Br2 Ni2 O4 P4 -","2","1","","Standley, Eric A.; Smith, Stacey J.; Müller, Peter; Jamison, Timothy F.","A Broadly Applicable Strategy for Entry into Homogeneous Nickel(0) Catalysts from Air-Stable Nickel(II) Complexes.","Organometallics","2014","33","8","2012","2018","10.1021/om500156q","","","0.71073","MoKα","","0.0198","0.0177","","","0.0452","0.0459","","","","","","1.031","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083035","12.7779","0.001","19.4532","0.0015","20.8196","0.0016","90","","90","","90","","5175.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H42 Cl10 Ni P2 -","- C54.0004 H42.0004 Cl10.0012 Ni P2 -","- C216.002 H168.002 Cl40.0048 Ni4 P8 -","4","1","","Standley, Eric A.; Smith, Stacey J.; Müller, Peter; Jamison, Timothy F.","A Broadly Applicable Strategy for Entry into Homogeneous Nickel(0) Catalysts from Air-Stable Nickel(II) Complexes.","Organometallics","2014","33","8","2012","2018","10.1021/om500156q","","","0.71073","MoKα","","0.0351","0.0328","","","0.0927","0.0938","","","","","","1.059","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083036","18.6663","0.0008","10.5178","0.0005","20.6999","0.0009","90","","99.891","0.001","90","","4003.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H65 Cl Fe Ni P2 -","- C43.5 H65 Cl Fe Ni P2 -","- C174 H260 Cl4 Fe4 Ni4 P8 -","4","1","","Standley, Eric A.; Smith, Stacey J.; Müller, Peter; Jamison, Timothy F.","A Broadly Applicable Strategy for Entry into Homogeneous Nickel(0) Catalysts from Air-Stable Nickel(II) Complexes.","Organometallics","2014","33","8","2012","2018","10.1021/om500156q","","","0.71073","MoKα","","0.041","0.0308","","","0.0693","0.0727","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083037","11.7668","0.0009","11.9557","0.0009","16.0572","0.0012","82.914","0.002","69.186","0.001","83.528","0.002","2089.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H47 Cl Ni O P2 -","- C53 H47 Cl Ni O P2 -","- C106 H94 Cl2 Ni2 O2 P4 -","2","1","","Standley, Eric A.; Smith, Stacey J.; Müller, Peter; Jamison, Timothy F.","A Broadly Applicable Strategy for Entry into Homogeneous Nickel(0) Catalysts from Air-Stable Nickel(II) Complexes.","Organometallics","2014","33","8","2012","2018","10.1021/om500156q","","","0.71073","MoKα","","0.0275","0.0258","","","0.0692","0.0704","","","","","","1.024","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083038","8.1455","0.0016","11.363","0.002","12.665","0.002","88.412","0.003","76.658","0.003","74.636","0.003","1099.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Cl N Ni P -","- C26 H25 Cl N Ni P -","- C52 H50 Cl2 N2 Ni2 P2 -","2","1","","Standley, Eric A.; Smith, Stacey J.; Müller, Peter; Jamison, Timothy F.","A Broadly Applicable Strategy for Entry into Homogeneous Nickel(0) Catalysts from Air-Stable Nickel(II) Complexes.","Organometallics","2014","33","8","2012","2018","10.1021/om500156q","","","0.71073","MoKα","","0.0346","0.0284","","","0.0691","0.0723","","","","","","1.046","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083039","24.8338","0.0002","15.2417","0.0001","23.7802","0.0002","90","","90.5012","0.0005","90","","9000.68","0.12","200","","200","","","","","","","","local","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H62 Cl2 N2 O P2 Ru -","- C41 H62 Cl2 N2 O P2 Ru -","- C328 H496 Cl16 N16 O8 P16 Ru8 -","8","1","","Hill, Anthony F.; McQueen, Caitlin M. A.","Dihydroperimidine-Derived PNP Pincer Complexes as Intermediates en Route to N-Heterocyclic Carbene Pincer Complexes","Organometallics","2014","33","8","1909","","10.1021/om5000985","","","0.71073","MoKα","","0.0426","0.034","","0.091","0.0838","0.091","","","","","","0.9111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083040","11.3781","0.0002","12.6054","0.0004","18.8891","0.0006","71.3895","0.0012","76.4431","0.0016","72.4232","0.0016","2418.91","0.12","200","","200","","","","","","","","Research School of Chemistry","6","P -1","-P 1","2","","","","- C56 H49 Cl4 N2 P3 Ru -","- C56 H49 Cl4 N2 P3 Ru -","- C112 H98 Cl8 N4 P6 Ru2 -","2","1","","Hill, Anthony F.; McQueen, Caitlin M. A.","Dihydroperimidine-Derived PNP Pincer Complexes as Intermediates en Route to N-Heterocyclic Carbene Pincer Complexes","Organometallics","2014","33","8","1909","","10.1021/om5000985","","","0.71073","MoKα","","0.0717","0.0416","","0.0964","0.0854","0.0964","","","","","","0.9639","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083041","10.1802","0.0001","25.0778","0.0003","15.6446","0.0002","90","","90.1356","0.0008","90","","3994.01","0.08","200","","200","","","","","","","","local","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H61 Cl N2 O P2 Ru -","- C44 H61 Cl N2 O P2 Ru -","- C176 H244 Cl4 N8 O4 P8 Ru4 -","4","1","","Hill, Anthony F.; McQueen, Caitlin M. A.","Dihydroperimidine-Derived PNP Pincer Complexes as Intermediates en Route to N-Heterocyclic Carbene Pincer Complexes","Organometallics","2014","33","8","1909","","10.1021/om5000985","","","0.71073","MoKα","","0.0508","0.0375","","0.0901","0.0842","0.0901","","","","","","1.0151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083042","10.1115","0.0002","13.58","0.0004","17.8467","0.0005","90.4611","0.001","100.149","0.0015","108.957","0.0015","2275.81","0.11","200","","200","","","","","","","","local","7","P -1","-P 1","2","","","","- C47 H65 Cl3 N2 O P2 Ru -","- C47 H65 Cl3 N2 O P2 Ru -","- C94 H130 Cl6 N4 O2 P4 Ru2 -","2","1","","Hill, Anthony F.; McQueen, Caitlin M. A.","Dihydroperimidine-Derived PNP Pincer Complexes as Intermediates en Route to N-Heterocyclic Carbene Pincer Complexes","Organometallics","2014","33","8","1909","","10.1021/om5000985","","","0.71073","MoKα","","0.0487","0.0381","","0.0937","0.089","0.0937","","","","","","0.9867","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083043","12.9654","0.0007","17.2909","0.001","22.5692","0.0013","90","","90","","90","","5059.6","0.5","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H31 O6 P Ru S2 -","- C25 H31 O6 P Ru S2 -","- C200 H248 O48 P8 Ru8 S16 -","8","1","","Friedberger, Tobias; Ziller, Joseph W.; Guan, Zhibin","Ruthenium(IV) Complexes for Ethylene Insertion Polymerization","Organometallics","2014","33","8","1913","","10.1021/om5001343","","","0.71073","MoKα","","0.0253","0.022","","","0.0555","0.0573","","","","","","1.052","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083044","14.7647","0.0009","13.6816","0.0008","16.0357","0.001","90","","106.591","0.0007","90","","3104.4","0.3","83","2","83","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H39 Cl2 O6 P Ru S2 -","- C29 H39 Cl2 O6 P Ru S2 -","- C116 H156 Cl8 O24 P4 Ru4 S8 -","4","1","","Friedberger, Tobias; Ziller, Joseph W.; Guan, Zhibin","Ruthenium(IV) Complexes for Ethylene Insertion Polymerization","Organometallics","2014","33","8","1913","","10.1021/om5001343","","","0.71073","MoKα","","0.0443","0.0312","","","0.0751","0.0811","","","","","","1.006","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083045","10.1347","0.0008","10.8117","0.0008","13.1228","0.001","104.705","0.0008","91.9422","0.0009","109.193","0.0008","1302.62","0.17","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H24 F3 Li2 O9 P S2 -","- C22 H24 F3 Li2 O9 P S2 -","- C44 H48 F6 Li4 O18 P2 S4 -","2","1","","Friedberger, Tobias; Ziller, Joseph W.; Guan, Zhibin","Ruthenium(IV) Complexes for Ethylene Insertion Polymerization","Organometallics","2014","33","8","1913","","10.1021/om5001343","","","0.71073","MoKα","","0.0368","0.0321","","","0.0818","0.0849","","","","","","1.047","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083046","7.1855","0.0002","13.2215","0.0004","23.3882","0.0008","90","","90","","90","","2221.95","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N2 Th -","- C25 H36 N2 Th -","- C100 H144 N8 Th4 -","4","1","","Hervé, Alexandre; Thuéry, Pierre; Ephritikhine, Michel; Berthet, Jean-Claude","Structural Diversity in Cyanido Thorocene Complexes","Organometallics","2014","33","8","2088","","10.1021/om500252v","","","0.71073","MoKα","","0.0311","0.0217","","","0.0513","0.0518","","","","","","1.025","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083047","12.2097","0.0004","12.4122","0.0005","26.791","0.0012","97.045","0.002","92.42","0.003","96.205","0.002","3999.6","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C87 H125 N5 Th3 -","- C87 H125 N5 Th3 -","- C174 H250 N10 Th6 -","2","1","","Hervé, Alexandre; Thuéry, Pierre; Ephritikhine, Michel; Berthet, Jean-Claude","Structural Diversity in Cyanido Thorocene Complexes","Organometallics","2014","33","8","2088","","10.1021/om500252v","","","0.71073","MoKα","","0.0492","0.0293","","","0.0555","0.0594","","","","","","0.953","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083048","12.5929","0.0005","23.6561","0.0006","14.5519","0.0005","90","","90.321","0.002","90","","4334.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H68 N2 Th2 -","- C49 H68 N2 Th2 -","- C196 H272 N8 Th8 -","4","1","","Hervé, Alexandre; Thuéry, Pierre; Ephritikhine, Michel; Berthet, Jean-Claude","Structural Diversity in Cyanido Thorocene Complexes","Organometallics","2014","33","8","2088","","10.1021/om500252v","","","0.71073","MoKα","","0.0479","0.0284","","","0.0531","0.0566","","","","","","0.987","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083049","7.4945","0.0003","12.4291","0.0007","15.9469","0.001","93.543","0.003","92.615","0.004","91.25","0.003","1480.62","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H76 N5 Na O6 Th2 -","- C65 H76 N5 Na O6 Th2 -","- C65 H76 N5 Na O6 Th2 -","1","0.5","","Hervé, Alexandre; Thuéry, Pierre; Ephritikhine, Michel; Berthet, Jean-Claude","Structural Diversity in Cyanido Thorocene Complexes","Organometallics","2014","33","8","2088","","10.1021/om500252v","","","0.71073","MoKα","","0.0376","0.029","","","0.067","0.0691","","","","","","1.042","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083050","19.8674","0.0012","24.7578","0.0015","20.4621","0.0007","90","","90","","90","","10064.8","0.9","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C50 H88 N4 Th -","- C50 H88 N4 Th -","- C400 H704 N32 Th8 -","8","1","","Hervé, Alexandre; Thuéry, Pierre; Ephritikhine, Michel; Berthet, Jean-Claude","Structural Diversity in Cyanido Thorocene Complexes","Organometallics","2014","33","8","2088","","10.1021/om500252v","","","0.71073","MoKα","","0.1363","0.0455","","","0.0721","0.0863","","","","","","0.9","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083051","8.18468","0.0001","11.04538","0.00014","29.0948","0.0004","90","","95.875","0.0012","90","","2616.44","0.06","292.1","0.8","292.1","0.8","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl N3 O4 Ru S -","- C27 H26 Cl N3 O4 Ru S -","- C108 H104 Cl4 N12 O16 Ru4 S4 -","4","1","","Zhang, Lu−Lu; Li, Lian-Hua; Wang, Yu-Qi; Yang, Yan-Fang; Liu, Xue-Yuan; Liang, Yong-Min","Ruthenium-Catalyzed Direct C‒H Amidation of Arenes: A Mechanistic Study","Organometallics","2014","33","8","1905","","10.1021/om500080z","","","1.5418","CuKα","","0.0397","0.0386","","","0.1002","0.1016","","","","","","1.111","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083052","15.0631","0.0008","7.8858","0.0002","16.5738","0.0011","90","","110.939","0.008","90","","1838.7","0.19","293.12","0.16","293.12","0.16","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H22 Cl N Ru -","- C21 H22 Cl N Ru -","- C84 H88 Cl4 N4 Ru4 -","4","1","","Zhang, Lu−Lu; Li, Lian-Hua; Wang, Yu-Qi; Yang, Yan-Fang; Liu, Xue-Yuan; Liang, Yong-Min","Ruthenium-Catalyzed Direct C‒H Amidation of Arenes: A Mechanistic Study","Organometallics","2014","33","8","1905","","10.1021/om500080z","","","0.71073","MoKα","","0.0399","0.0303","","","0.0619","0.068","","","","","","1.046","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083053","9.7907","0.0003","20.2094","0.0008","35.0149","0.0008","90","","91.708","0.002","90","","6925.1","0.4","100","","100.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C38 H45 Co P4 -","- C38 H45 Co P4 -","- C304 H360 Co8 P32 -","8","4","","Kent, Mark A.; Woodall, Christopher H.; Haddow, Mairi F.; McMullin, Claire L.; Pringle, Paul G.; Wass, Duncan F.","Cobalt PCP Pincer Complexes via an Unexpected Sequence of Ortho Metalations","Organometallics","2014","33","20","5686","","10.1021/om500079j","","","0.71073","MoKα","","0.1267","0.0961","","","0.2249","0.241","","","","","","1.095","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083054","17.4712","0.0003","9.0485","0.0002","20.1479","0.0004","90","","90.9","0.001","90","","3184.75","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 Co O2 P2 -","- C34 H27 Co O2 P2 -","- C136 H108 Co4 O8 P8 -","4","1","","Kent, Mark A.; Woodall, Christopher H.; Haddow, Mairi F.; McMullin, Claire L.; Pringle, Paul G.; Wass, Duncan F.","Cobalt PCP Pincer Complexes via an Unexpected Sequence of Ortho Metalations","Organometallics","2014","33","20","5686","","10.1021/om500079j","","x-ray","0.71074","MoKα","","0.031","0.0272","","","0.0723","0.074","","","","","","1.084","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083055","9.833","0.003","16.673","0.005","20.164","0.007","77.2","0.005","86.527","0.005","81.073","0.005","3183.4","1.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H74 Ir N7 O4 -","- C72 H74 Ir N7 O4 -","- C144 H148 Ir2 N14 O8 -","2","1","","Dairo, Taiwo O.; Ellern, Arkady; Angelici, Robert J.; Woo, L. Keith","Addition of Amines to a Carbonyl Ligand: Syntheses, Characterization, and Reactivities of Iridium(III) Porphyrin Carbamoyl Complexes","Organometallics","2014","33","9","2266","","10.1021/om500189a","","","0.71073","MoKα","","0.0725","0.0534","","","0.1369","0.1463","","","","","","1.084","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083056","16.528","0.004","16.705","0.004","25.722","0.005","82.678","0.004","72.836","0.004","61.732","0.004","5976","2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H66 B F4 Ir N4 O P2 -","- C68 H66 B F4 Ir N4 O P2 -","- C272 H264 B4 F16 Ir4 N16 O4 P8 -","4","2","","Dairo, Taiwo O.; Ellern, Arkady; Angelici, Robert J.; Woo, L. Keith","Addition of Amines to a Carbonyl Ligand: Syntheses, Characterization, and Reactivities of Iridium(III) Porphyrin Carbamoyl Complexes","Organometallics","2014","33","9","2266","","10.1021/om500189a","","","0.71073","MoKα","","0.0979","0.058","","","0.1454","0.1685","","","","","","1.037","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083057","17.9765","0.0008","10.3314","0.0005","25.1763","0.0011","90","","99.401","0.001","90","","4613","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H80 Cl F3 Ni O P2 -","- C47 H80 Cl F3 Ni O P2 -","- C188 H320 Cl4 F12 Ni4 O4 P8 -","4","1","","Christian, Alec H.; Müller, Peter; Monfette, Sebastien","Nickel Hydroxo Complexes as Intermediates in Nickel-Catalyzed Suzuki‒Miyaura Cross-Coupling","Organometallics","2014","33","9","2134","","10.1021/om5001327","","","0.71073","MoKα","","0.0307","0.0266","","","0.0671","0.0699","","","","","","1.05","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083058","18.6145","0.0003","18.8636","0.0003","27.1879","0.0019","90","","90","","90","","9546.7","0.7","85","2","85","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H30 B4 F24 Mn N3 O3 -","- C41 H30 B4 F24 Mn N3 O3 -","- C328 H240 B32 F192 Mn8 N24 O24 -","8","1","","Carter, Tyler J.; Wang, Justin Y.; Szymczak, Nathaniel K.","Manganese-Mediated Hydride Delivery to a Borazine by Stepwise Reduction and Protonation","Organometallics","2014","33","7","1540","","10.1021/om500157m","","","1.54178","CuKα","","0.073","0.067","","","0.1763","0.181","","","","","","1.192","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083059","7.3606","0.0003","14.9688","0.0012","15.5742","0.0008","113.175","0.007","90.433","0.004","90.646","0.003","1577.26","0.18","85","2","85","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H21 B3 Mn N3 O3 -","- C10 H21 B3 Mn N3 O3 -","- C40 H84 B12 Mn4 N12 O12 -","4","2","","Carter, Tyler J.; Wang, Justin Y.; Szymczak, Nathaniel K.","Manganese-Mediated Hydride Delivery to a Borazine by Stepwise Reduction and Protonation","Organometallics","2014","33","7","1540","","10.1021/om500157m","","","1.54187","CuKα","","0.0745","0.0677","","","0.1955","0.2066","","","","","","1.195","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083060","8.9006","0.0002","14.2192","0.0003","12.3119","0.0009","90","","106.407","0.007","90","","1494.74","0.13","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H19 B3 Mn N3 O3 -","- C9 H19 B3 Mn N3 O3 -","- C36 H76 B12 Mn4 N12 O12 -","4","1","","Carter, Tyler J.; Wang, Justin Y.; Szymczak, Nathaniel K.","Manganese-Mediated Hydride Delivery to a Borazine by Stepwise Reduction and Protonation","Organometallics","2014","33","7","1540","","10.1021/om500157m","","","1.54178","CuKα","","0.052","0.0513","","","0.1459","0.1467","","","","","","1.142","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083061","10.9342","0.001","11.0264","0.001","11.505","0.0011","85.763","0.003","85.791","0.003","76.792","0.003","1344.4","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","Mn(bpy)(CO)3Br","","","- C13 H8 Br Mn N2 O3 -","- C13 H8 Br Mn N2 O3 -","- C52 H32 Br4 Mn4 N8 O12 -","4","2","","Machan, Charles W.; Sampson, Matthew D.; Chabolla, Steven A.; Dang, Tram; Kubiak, Clifford P.","Developing a Mechanistic Understanding of Molecular Electrocatalysts for CO2Reduction using Infrared Spectroelectrochemistry","Organometallics","2014","33","18","4550","","10.1021/om500044a","","","0.71073","MOKα","","0.0258","0.0218","","","0.0521","0.0546","","","","","","1.054","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083062","9.5138","0.0009","19.278","0.002","12.9529","0.0011","90","","104.443","0.004","90","","2300.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn(bpy)(CO)3]2","","","- C26 H16 Mn2 N4 O6 -","- C26 H16 Mn2 N4 O6 -","- C104 H64 Mn8 N16 O24 -","4","0.5","","Machan, Charles W.; Sampson, Matthew D.; Chabolla, Steven A.; Dang, Tram; Kubiak, Clifford P.","Developing a Mechanistic Understanding of Molecular Electrocatalysts for CO2Reduction using Infrared Spectroelectrochemistry","Organometallics","2014","33","18","4550","","10.1021/om500044a","","","0.71073","MoKα","","0.0331","0.0266","","","0.0628","0.0655","","","","","","1.09","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083063","16.8491","0.0012","8.7335","0.0006","16.3315","0.0012","90","","114.621","0.001","90","","2184.7","0.3","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Br2 N6 O Pt -","- C19 H24 Br2 N6 O Pt -","- C76 H96 Br8 N24 O4 Pt4 -","4","1","","Biffis, Andrea; Cipani, Matteo; Bressan, Edoardo; Tubaro, Cristina; Graiff, Claudia; Venzo, Alfonso","Group 10 Metal Complexes with Chelating Macrocyclic Dicarbene Ligands Bearing a 2,6-Lutidinyl Bridge: Synthesis, Reactivity, and Catalytic Activity","Organometallics","2014","33","9","2182","","10.1021/om401062p","","","0.71073","MoKα","","0.0375","0.03","","","0.0777","0.0819","","","","","","1.028","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083064","10.9329","0.0019","10.97","0.003","11.367","0.002","81.48","0.02","64.516","0.018","64.821","0.014","1112.7","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 Fe N O -","- C29 H27 Fe N O -","- C58 H54 Fe2 N2 O2 -","2","1","","Xie, Wucheng; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Palladium-Catalyzed Direct Dehydrogenative Annulation of Ferrocenecarboxamides with Alkynes in Air","Organometallics","2014","33","9","2138","","10.1021/om5002606","","","0.71073","MoKα","","0.0388","0.0306","","","0.0762","0.0777","","","","","","1.033","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083065","15.78","0.003","10.497","0.002","23.974","0.005","90","","90","","90","","3971.1","1.4","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H21 Fe N O -","- C26 H21 Fe N O -","- C208 H168 Fe8 N8 O8 -","8","2","","Xie, Wucheng; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Palladium-Catalyzed Direct Dehydrogenative Annulation of Ferrocenecarboxamides with Alkynes in Air","Organometallics","2014","33","9","2138","","10.1021/om5002606","","","0.71073","MoKα","","0.0879","0.0669","","","0.1494","0.1615","","","","","","1.078","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083066","6.3206","0.0009","25.284","0.003","12.6222","0.0017","90","","91.175","0.004","90","","2016.7","0.5","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 O4 Si2 -","- C16 H34 O4 Si2 -","- C64 H136 O16 Si8 -","4","1","","Arzumanyan, Ashot V.; Novikov, Roman A.; Terent’ev, Alexander O.; Platonov, Maxim M.; Lakhtin, Valentin G.; Arkhipov, Dmitry E.; Korlyukov, Alexander A.; Chernyshev, Vladimir V.; Fitch, Andrew N.; Zdvizhkov, Alexander T.; Krylov, Igor B.; Tomilov, Yury V.; Nikishin, Gennady I.","Nature Chooses Rings: Synthesis of Silicon-Containing Macrocyclic Peroxides","Organometallics","2014","33","9","2230","","10.1021/om500095x","","","0.71073","MoKα","","0.066392","0.037148","","","","0.057124","","","","","","0.992864","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083067","11.4142","0.0005","11.9809","0.0005","16.0939","0.0007","90","","90","","90","","2200.88","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H38 O4 Si2 -","- C18 H38 O4 Si2 -","- C72 H152 O16 Si8 -","4","1","","Arzumanyan, Ashot V.; Novikov, Roman A.; Terent’ev, Alexander O.; Platonov, Maxim M.; Lakhtin, Valentin G.; Arkhipov, Dmitry E.; Korlyukov, Alexander A.; Chernyshev, Vladimir V.; Fitch, Andrew N.; Zdvizhkov, Alexander T.; Krylov, Igor B.; Tomilov, Yury V.; Nikishin, Gennady I.","Nature Chooses Rings: Synthesis of Silicon-Containing Macrocyclic Peroxides","Organometallics","2014","33","9","2230","","10.1021/om500095x","","","0.71073","MoKα","","0.0422","0.0355","","","0.0792","0.0825","","","","","","1.062","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083068","9.6887","0.0004","10.2615","0.0004","12.4452","0.0005","106.482","0.001","91.577","0.001","90.648","0.001","1185.78","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H40 O6 Si2 -","- C20 H40 O6 Si2 -","- C40 H80 O12 Si4 -","2","1","","Arzumanyan, Ashot V.; Novikov, Roman A.; Terent’ev, Alexander O.; Platonov, Maxim M.; Lakhtin, Valentin G.; Arkhipov, Dmitry E.; Korlyukov, Alexander A.; Chernyshev, Vladimir V.; Fitch, Andrew N.; Zdvizhkov, Alexander T.; Krylov, Igor B.; Tomilov, Yury V.; Nikishin, Gennady I.","Nature Chooses Rings: Synthesis of Silicon-Containing Macrocyclic Peroxides","Organometallics","2014","33","9","2230","","10.1021/om500095x","","","0.71073","MoKα","","0.0491","0.0365","","","0.0869","0.0942","","","","","","1.008","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083069","9.9058","0.0008","11.5174","0.001","12.2235","0.001","99.111","0.002","113.255","0.002","105.766","0.002","1176.11","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H36 O6 Si2 -","- C20 H36 O6 Si2 -","- C40 H72 O12 Si4 -","2","1","","Arzumanyan, Ashot V.; Novikov, Roman A.; Terent’ev, Alexander O.; Platonov, Maxim M.; Lakhtin, Valentin G.; Arkhipov, Dmitry E.; Korlyukov, Alexander A.; Chernyshev, Vladimir V.; Fitch, Andrew N.; Zdvizhkov, Alexander T.; Krylov, Igor B.; Tomilov, Yury V.; Nikishin, Gennady I.","Nature Chooses Rings: Synthesis of Silicon-Containing Macrocyclic Peroxides","Organometallics","2014","33","9","2230","","10.1021/om500095x","","","0.71073","MoKα","","0.0523","0.042","","","0.1043","0.1092","","","","","","1.083","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083070","13.786","0.0007","9.6587","0.0005","22.2882","0.0013","90","","104.524","0.001","90","","2872.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1e","","","- C14 H18 Cl N3 Pd -","- C14 H18 Cl N3 Pd -","- C112 H144 Cl8 N24 Pd8 -","8","1","","Swarts, Andrew J.; Zheng, Feng; Smith, Vincent J.; Nordlander, Ebbe; Mapolie, Selwyn F.","Reactivity of Bis(pyridyl)-N-alkylaminato Methylpalladium Complexes toward Ethylene: Insights from Experiment and Theory","Organometallics","2014","33","9","2247","","10.1021/om5001293","","","0.71073","MoKα","","0.0284","0.0259","","","0.062","0.063","","","","","","1.101","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4083071","14.7402","0.0018","16.231","0.002","22.091","0.003","90","","98.847","0.002","90","","5222.4","1.2","150","2","150","2","","","101.3","","","","synthesis","6","P 1 21/n 1","-P 2yn","14","3e","","","- C51 H35 B F24 N4 Pd -","- C51 H35 B F24 N4 Pd -","- C204 H140 B4 F96 N16 Pd4 -","4","1","","Swarts, Andrew J.; Zheng, Feng; Smith, Vincent J.; Nordlander, Ebbe; Mapolie, Selwyn F.","Reactivity of Bis(pyridyl)-N-alkylaminato Methylpalladium Complexes toward Ethylene: Insights from Experiment and Theory","Organometallics","2014","33","9","2247","","10.1021/om5001293","","x-ray","0.71073","MoKα","","0.0804","0.0626","","","0.1634","0.1783","","","","","","1.066","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4083072","13.021","0.003","13.101","0.003","16.199","0.004","84.145","0.004","87.023","0.004","62.217","0.003","2432","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","3e-A","","","- C48 H30 B F24 N3 Pd -","- C48 H30 B F24 N3 Pd -","- C96 H60 B2 F48 N6 Pd2 -","2","1","","Swarts, Andrew J.; Zheng, Feng; Smith, Vincent J.; Nordlander, Ebbe; Mapolie, Selwyn F.","Reactivity of Bis(pyridyl)-N-alkylaminato Methylpalladium Complexes toward Ethylene: Insights from Experiment and Theory","Organometallics","2014","33","9","2247","","10.1021/om5001293","","","0.71073","MoKα","","0.0301","0.0271","","","0.0641","0.0659","","","","","","1.029","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4083073","10.563","0.0014","12.545","0.0016","16.183","0.0016","108.938","0.008","91.867","0.012","90.552","0.011","2026.8","0.4","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C41 H53 B Cl N8 Ta -","- C41 H53 B Cl N8 Ta -","- C82 H106 B2 Cl2 N16 Ta2 -","2","1","","Galájov, Miguel; Garc\?ía, Carlos; Gómez, Manuel; Gómez-Sal, Pilar; Temprado, Manuel","Synthesis and DFT, Multinuclear Magnetic Resonance, and X-ray Structural Studies of Iminoacyl Imido Hydridotris(3,5-dimethylpyrazolyl)borate Niobium and Tantalum(V) Complexes","Organometallics","2014","33","9","2277","","10.1021/om5002028","","x-ray","0.71073","MoKα","","0.0537","0.0383","","","0.0908","0.0975","","","","","","1.025","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083074","10.2046","0.0008","20.1274","0.0019","12.3318","0.0012","90","","92.659","0.003","90","","2530.1","0.4","140","2","140.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 B Cl N2 -","- C30 H30 B Cl N2 -","- C120 H120 B4 Cl4 N8 -","4","1","","Galan, Brandon R.; Wiedner, Eric S.; Helm, Monte L.; Linehan, John C.; Appel, Aaron M.","Effects of Phosphine‒Carbene Substitutions on the Electrochemical and Thermodynamic Properties of Nickel Complexes","Organometallics","2014","33","9","2287","","10.1021/om500206e","","","0.71073","MoKα","","0.0628","0.0444","","","0.1113","0.1214","","","","","","1.036","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083075","24.5248","0.0007","14.365","0.0004","20.1176","0.0006","90","","106.611","0.002","90","","6791.6","0.3","140","","140.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H78 B2 N4 Ni P2 -","- C84 H78 B2 N4 Ni P2 -","- C336 H312 B8 N16 Ni4 P8 -","4","1","","Galan, Brandon R.; Wiedner, Eric S.; Helm, Monte L.; Linehan, John C.; Appel, Aaron M.","Effects of Phosphine‒Carbene Substitutions on the Electrochemical and Thermodynamic Properties of Nickel Complexes","Organometallics","2014","33","9","2287","","10.1021/om500206e","","x-ray","0.71073","MoKα","K-L~3~","0.092","0.0471","","","0.0996","0.1184","","","","","","1.01","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083076","17.8561","0.0014","36.193","0.003","17.9445","0.0015","90","","90.038","0.004","90","","11596.9","1.6","145","2","145.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H78 B2 N4 Ni P2 -","- C68 H78 B2 N4 Ni P2 -","- C544 H624 B16 N32 Ni8 P16 -","8","2","","Galan, Brandon R.; Wiedner, Eric S.; Helm, Monte L.; Linehan, John C.; Appel, Aaron M.","Effects of Phosphine‒Carbene Substitutions on the Electrochemical and Thermodynamic Properties of Nickel Complexes","Organometallics","2014","33","9","2287","","10.1021/om500206e","","","0.71073","MoKα","","0.0634","0.0475","","","0.127","0.1388","","","","","","1.033","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083077","9.8799","0.0003","12.3184","0.0004","14.9893","0.0004","90","","93.656","0.002","90","","1820.55","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(IPrEtOH)AuCl]","","","- C17 H24 Au Cl N2 O -","- C17 H24 Au Cl N2 O -","- C68 H96 Au4 Cl4 N8 O4 -","4","1","","Jacques, Béatrice; Hueber, Damien; Hameury, Sophie; Braunstein, Pierre; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Alcohol-Functionalized NHC Gold(I/III) Complexes","Organometallics","2014","33","9","2326","","10.1021/om500240h","","x-ray","0.71073","MoKα","","0.0419","0.0289","","","0.0534","0.0566","","","","","","1.041","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083078","9.922","0.0004","12.0235","0.0005","14.4523","0.0004","90","","119.38","0.002","90","","1502.37","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(IMesEtOH)AuCl]","","","- C14 H18 Au Cl N2 O -","- C14 H18 Au Cl N2 O -","- C56 H72 Au4 Cl4 N8 O4 -","4","1","","Jacques, Béatrice; Hueber, Damien; Hameury, Sophie; Braunstein, Pierre; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Alcohol-Functionalized NHC Gold(I/III) Complexes","Organometallics","2014","33","9","2326","","10.1021/om500240h","","x-ray","0.71073","MoKα","","0.0516","0.0319","","","0.0693","0.0762","","","","","","1.047","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083079","12.1857","0.0005","7.6441","0.0002","19.584","0.0008","90","","90","","90","","1824.22","0.12","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[(IMeEtOH)AuCl]","","","- C6 H10 Au Cl N2 O -","- C6 H10 Au Cl N2 O -","- C48 H80 Au8 Cl8 N16 O8 -","8","1","","Jacques, Béatrice; Hueber, Damien; Hameury, Sophie; Braunstein, Pierre; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Alcohol-Functionalized NHC Gold(I/III) Complexes","Organometallics","2014","33","9","2326","","10.1021/om500240h","","x-ray","0.71073","MoKα","","0.0671","0.0383","","","0.0824","0.0954","","","","","","1.115","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083080","12.06","0.0004","14.191","0.0003","18.0359","0.0005","90","","119.762","0.002","90","","2679.57","0.14","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(IPrEtOH)Au(NTf2)]","","","- C19 H24 Au F6 N3 O5 S2 -","- C19 H24 Au F6 N3 O5 S2 -","- C76 H96 Au4 F24 N12 O20 S8 -","4","1","","Jacques, Béatrice; Hueber, Damien; Hameury, Sophie; Braunstein, Pierre; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Alcohol-Functionalized NHC Gold(I/III) Complexes","Organometallics","2014","33","9","2326","","10.1021/om500240h","","x-ray","0.71073","MoKα","","0.0637","0.0375","","","0.0841","0.093","","","","","","1.023","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083081","10.5273","0.0005","12.7568","0.0006","15.8475","0.0007","90","","108.648","0.003","90","","2016.5","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(IPrEtOH)AuCl3]","","","- C17 H24 Au Cl3 N2 O -","- C17 H24 Au Cl3 N2 O -","- C68 H96 Au4 Cl12 N8 O4 -","4","1","","Jacques, Béatrice; Hueber, Damien; Hameury, Sophie; Braunstein, Pierre; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Alcohol-Functionalized NHC Gold(I/III) Complexes","Organometallics","2014","33","9","2326","","10.1021/om500240h","","x-ray","0.71073","MoKα","","0.082","0.0529","","","0.1086","0.1172","","","","","","1.058","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083082","10.572","0.005","12.861","0.005","15.813","0.005","90","","107.876","0.005","90","","2046.2","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(IPrEtOH)AuCl3]","","","- C17 H24 Au Cl3 N2 O -","- C17 H24 Au Cl3 N2 O -","- C68 H96 Au4 Cl12 N8 O4 -","4","1","","Jacques, Béatrice; Hueber, Damien; Hameury, Sophie; Braunstein, Pierre; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Alcohol-Functionalized NHC Gold(I/III) Complexes","Organometallics","2014","33","9","2326","","10.1021/om500240h","","x-ray","0.71069","MoKα","","0.0666","0.0377","","","0.0819","0.093","","","","","","1.007","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083083","8.243","0.0002","41.4732","0.001","17.2486","0.0003","90","","117.435","0.001","90","","5233.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(IMesEtOH)AuCl3","","","- C14 H18 Au Cl3 N2 O -","- C14 H18 Au Cl3 N2 O -","- C168 H216 Au12 Cl36 N24 O12 -","12","3","","Jacques, Béatrice; Hueber, Damien; Hameury, Sophie; Braunstein, Pierre; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Alcohol-Functionalized NHC Gold(I/III) Complexes","Organometallics","2014","33","9","2326","","10.1021/om500240h","","x-ray","0.71073","MoKα","","0.0721","0.0401","","","0.09","0.0993","","","","","","1.015","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083084","7.7484","0.0005","8.9557","0.0003","15.7392","0.0011","89.246","0.004","87.05","0.003","84.378","0.003","1085.45","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[(IMeEtOH)AuCl3","","","- C6 H10 Au Cl3 N2 O -","- C6 H10 Au Cl3 N2 O -","- C24 H40 Au4 Cl12 N8 O4 -","4","2","","Jacques, Béatrice; Hueber, Damien; Hameury, Sophie; Braunstein, Pierre; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Alcohol-Functionalized NHC Gold(I/III) Complexes","Organometallics","2014","33","9","2326","","10.1021/om500240h","","x-ray","0.71069","MoKα","","0.086","0.0451","","","0.0851","0.0951","","","","","","1.043","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083085","34.983","0.003","14.0674","0.0012","24.973","0.002","90","","94","0.005","90","","12259.8","1.8","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C147 H126 Cl6 N4 P8 Ru2 -","- C147 H126 Cl6 N4 P8 Ru2 -","- C588 H504 Cl24 N16 P32 Ru8 -","4","0.5","","Norel, Lucie; Di Piazza, Emmanuel; Feng, Min; Vacher, Antoine; He, Xiaoyan; Roisnel, Thierry; Maury, Olivier; Rigaut, Stéphane","Lanthanide Sensitization with Ruthenium Carbon-Rich Complexes and Redox Commutation of Near-IR Luminescence","Organometallics","2014","33","18","4824","","10.1021/om500059d","","x-ray","0.71073","MoKα","","0.0925","0.0657","","","0.1769","0.1965","","","","","","1.064","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083086","9.3922","0.0006","13.4491","0.0009","13.9372","0.0009","95.889","0.003","108.422","0.003","96.071","0.003","1643.56","0.19","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C78 H66 Cl4 N4 P4 Ru -","- C78 H66 Cl4 N4 P4 Ru -","- C78 H66 Cl4 N4 P4 Ru -","1","0.5","","Norel, Lucie; Di Piazza, Emmanuel; Feng, Min; Vacher, Antoine; He, Xiaoyan; Roisnel, Thierry; Maury, Olivier; Rigaut, Stéphane","Lanthanide Sensitization with Ruthenium Carbon-Rich Complexes and Redox Commutation of Near-IR Luminescence","Organometallics","2014","33","18","4824","","10.1021/om500059d","","x-ray","0.71073","MoKα","","0.0401","0.0368","","","0.096","0.0985","","","","","","1.038","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083087","13.032","0.005","18.32","0.01","21.732","0.011","66.6","0.02","73.4","0.02","77.08","0.02","4527","4","150","2","150","2","","","","","","","synthesis as described","10","P -1","-P 1","2","","","","- C97 H74 Cl2 Eu F9 N2 O6 P4 Ru S3 -","- C97 H74 Cl2 Eu F8.988 N2 O6 P4 Ru S3 -","- C194 H148 Cl4 Eu2 F17.976 N4 O12 P8 Ru2 S6 -","2","1","","Norel, Lucie; Di Piazza, Emmanuel; Feng, Min; Vacher, Antoine; He, Xiaoyan; Roisnel, Thierry; Maury, Olivier; Rigaut, Stéphane","Lanthanide Sensitization with Ruthenium Carbon-Rich Complexes and Redox Commutation of Near-IR Luminescence","Organometallics","2014","33","18","4824","","10.1021/om500059d","","x-ray","0.71073","MoKα","","0.2105","0.0865","","","0.1748","0.2311","","","","","","0.978","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083088","13.028","0.004","18.443","0.005","21.825","0.006","66.428","0.01","72.705","0.011","76.854","0.01","4554","2","150","2","150","2","","","","","","","synthesis as described","10","P -1","-P 1","2","","","","- C97 H74 Cl2 F9 N2 Nd O6 P4 Ru S3 -","- C97 H74 Cl2 F9.003 N2 Nd O6 P4 Ru S3 -","- C194 H148 Cl4 F18.006 N4 Nd2 O12 P8 Ru2 S6 -","2","1","","Norel, Lucie; Di Piazza, Emmanuel; Feng, Min; Vacher, Antoine; He, Xiaoyan; Roisnel, Thierry; Maury, Olivier; Rigaut, Stéphane","Lanthanide Sensitization with Ruthenium Carbon-Rich Complexes and Redox Commutation of Near-IR Luminescence","Organometallics","2014","33","18","4824","","10.1021/om500059d","","x-ray","0.71073","MoKα","","0.0739","0.0478","","","0.101","0.1099","","","","","","1.072","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083089","11.6535","0.0007","13.6949","0.0009","14.1694","0.0009","118.712","0.0007","90.24","0.0008","114.981","0.0007","1735.7","0.19","566","2","566","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F6 N O2 -","- C17 H13 F6 N O2 -","- C68 H52 F24 N4 O8 -","4","2","","Zardi, Paolo; Caselli, Alessandro; Macchi, Piero; Ferretti, Francesco; Gallo, Emma","Synthesis of Biologically Relevant Compounds by Ruthenium Porphyrin Catalyzed Amination of Benzylic C‒H Bonds","Organometallics","2014","33","9","2210","","10.1021/om500064d","","","0.71073","MoKα","","0.0736","0.0421","","","0.1134","0.1268","","","","","","1.042","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083090","47.9884","0.0009","15.0488","0.0004","25.7745","0.0005","90","","111.456","0.002","90","","17323.6","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C177 H126 Cl2 F48 N12 O8 Ru2 -","- C177 H126 Cl2 F48 N12 O8 Ru2 -","- C708 H504 Cl8 F192 N48 O32 Ru8 -","4","0.5","","Zardi, Paolo; Caselli, Alessandro; Macchi, Piero; Ferretti, Francesco; Gallo, Emma","Synthesis of Biologically Relevant Compounds by Ruthenium Porphyrin Catalyzed Amination of Benzylic C‒H Bonds","Organometallics","2014","33","9","2210","","10.1021/om500064d","","","0.71069","MoKα","","0.1279","0.0787","","","0.1998","0.2325","","","","","","1.025","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083091","12.374","0.003","17.52","0.004","13.629","0.003","90","","106.23","0.03","90","","2836.9","1.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H74 N6 O4 Pd2 -","- C62 H74 N6 O4 Pd2 -","- C124 H148 N12 O8 Pd4 -","2","0.5","","Deibel, Naina; Sommer, Michael G.; Hohloch, Stephan; Schwann, Johannes; Schweinfurth, David; Ehret, Fabian; Sarkar, Biprajit","Dinuclear Quinonoid-Bridged d8Metal Complexes with Redox-Active Azobenzene Stoppers: Electrochemical Properties and Electrochromic Behavior","Organometallics","2014","33","18","4756","","10.1021/om500035c","","","0.71073","MoKα","","0.076","0.0609","","","0.169","0.1803","","","","","","1.059","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083092","8.358","0.005","10.16","0.005","15.023","0.005","98.444","0.005","106.003","0.005","99.114","0.005","1186.2","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H54 N6 O2 Pt2 -","- C54 H54 N6 O2 Pt2 -","- C54 H54 N6 O2 Pt2 -","1","0.5","","Deibel, Naina; Sommer, Michael G.; Hohloch, Stephan; Schwann, Johannes; Schweinfurth, David; Ehret, Fabian; Sarkar, Biprajit","Dinuclear Quinonoid-Bridged d8Metal Complexes with Redox-Active Azobenzene Stoppers: Electrochemical Properties and Electrochromic Behavior","Organometallics","2014","33","18","4756","","10.1021/om500035c","","","0.71073","MoKα","","0.0163","0.0147","","","0.0349","0.0411","","","","","","1.157","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083093","10.9296","0.0004","30.5378","0.0009","13.9871","0.0005","90","","95.7636","0.0016","90","","4644.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H42 I N O2 P3 Re -","- C49 H42 I N O2 P3 Re -","- C196 H168 I4 N4 O8 P12 Re4 -","4","1","","Korstanje, Ties J.; Lutz, Martin; Jastrzebski, Johann T. B. H.; Klein Gebbink, Robertus J. M.","Synthesis and Characterization of Rhenium(V) Oxo Complexes Bearing PNP-Pincer Ligands","Organometallics","2014","33","9","2201","","10.1021/om401228u","","","0.71073","MoKα","","0.0452","0.03","","","0.0618","0.065","","","","","","1.015","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083094","26.9047","0.0002","26.9047","0.0002","23.4468","0.0008","90","","90","","120","","14698.4","0.5","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C31 H28 Cl2 N O2 P2 Re -","- C31 H28 Cl2 N O2 P2 Re -","- C558 H504 Cl36 N18 O36 P36 Re18 -","18","1","","Korstanje, Ties J.; Lutz, Martin; Jastrzebski, Johann T. B. H.; Klein Gebbink, Robertus J. M.","Synthesis and Characterization of Rhenium(V) Oxo Complexes Bearing PNP-Pincer Ligands","Organometallics","2014","33","9","2201","","10.1021/om401228u","","","0.71073","MoKα","","0.0225","0.0185","","","0.0437","0.0447","","","","","","1.088","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083095","8.3651","0.0003","12.1998","0.0005","15.502","0.0006","81.1766","0.0016","74.7137","0.0015","77.3807","0.0016","1481.45","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H44 I2 N O2 P2 Re -","- C23 H44 I2 N O2 P2 Re -","- C46 H88 I4 N2 O4 P4 Re2 -","2","1","","Korstanje, Ties J.; Lutz, Martin; Jastrzebski, Johann T. B. H.; Klein Gebbink, Robertus J. M.","Synthesis and Characterization of Rhenium(V) Oxo Complexes Bearing PNP-Pincer Ligands","Organometallics","2014","33","9","2201","","10.1021/om401228u","","","0.71073","MoKα","","0.0328","0.0299","","","0.0695","0.0707","","","","","","1.099","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083096","9.7444","0.0006","10.9303","0.0007","16.9114","0.0008","80.283","0.003","87.606","0.003","80.396","0.003","1750.32","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H51 Cl2 N O5 P2 Re2 -","- C31 H51 Cl2 N O5 P2 Re2 -","- C62 H102 Cl4 N2 O10 P4 Re4 -","2","1","","Korstanje, Ties J.; Lutz, Martin; Jastrzebski, Johann T. B. H.; Klein Gebbink, Robertus J. M.","Synthesis and Characterization of Rhenium(V) Oxo Complexes Bearing PNP-Pincer Ligands","Organometallics","2014","33","9","2201","","10.1021/om401228u","","","0.71073","MoKα","","0.062","0.0409","","","0.0931","0.1013","","","","","","1.058","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083097","12.8312","0.0016","16.489","0.003","17.0392","0.0019","65.205","0.009","68.213","0.01","75.421","0.012","3019.1","0.8","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H51 B F24 P Rh -","- C61 H51 B F24 P Rh -","- C122 H102 B2 F48 P2 Rh2 -","2","1","","Ikeda, Yousuke; Takano, Koichi; Waragai, Maiko; Kodama, Shintaro; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi","Reversibility of 1,4-Metal Migration in Cp*RhIIIand Cp*IrIIIComplexes","Organometallics","2014","33","9","2142","","10.1021/om5003232","","","0.71075","MoKα","","","0.0947","","","","0.2388","","","","","","1.079","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083098","12.693","0.002","30.806","0.005","16.408","0.003","90","","99.021","0.003","90","","6336.5","1.8","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H53 B F24 P Rh -","- C66 H53 B F24 P Rh -","- C264 H212 B4 F96 P4 Rh4 -","4","1","","Ikeda, Yousuke; Takano, Koichi; Waragai, Maiko; Kodama, Shintaro; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi","Reversibility of 1,4-Metal Migration in Cp*RhIIIand Cp*IrIIIComplexes","Organometallics","2014","33","9","2142","","10.1021/om5003232","","","0.71075","MoKα","","","0.068","","","","0.1621","","","","","","1.039","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083099","13.065","0.003","13.86","0.003","34.505","0.007","90","","95.303","0.003","90","","6221","2","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H53 B F24 P Rh -","- C66 H53 B F24 P Rh -","- C264 H212 B4 F96 P4 Rh4 -","4","1","","Ikeda, Yousuke; Takano, Koichi; Waragai, Maiko; Kodama, Shintaro; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi","Reversibility of 1,4-Metal Migration in Cp*RhIIIand Cp*IrIIIComplexes","Organometallics","2014","33","9","2142","","10.1021/om5003232","","","0.71075","MoKα","","","0.0887","","","","0.2315","","","","","","1.103","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083100","13.0865","0.0019","13.875","0.002","34.548","0.006","90","","95.2414","0.0017","90","","6246.8","1.7","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H53 B F24 Ir P -","- C66 H53 B F24 Ir P -","- C264 H212 B4 F96 Ir4 P4 -","4","1","","Ikeda, Yousuke; Takano, Koichi; Waragai, Maiko; Kodama, Shintaro; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi","Reversibility of 1,4-Metal Migration in Cp*RhIIIand Cp*IrIIIComplexes","Organometallics","2014","33","9","2142","","10.1021/om5003232","","","0.71075","MoKα","","","0.0649","","","","0.204","","","","","","1.07","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083101","10.2989","0.0005","11.3445","0.0006","16.4933","0.0009","84.141","0.003","88.811","0.003","69.786","0.003","1798.66","0.17","140","","140","","","","","","","","","5","P -1","-P 1","2","","W(dppe)(depp)(N2)2","","- C37 H50 N4 P4 W -","- C37 H50 N4 P4 W -","- C74 H100 N8 P8 W2 -","2","1","","Weiss, Charles J.; Egbert, Jonathan D.; Chen, Shentan; Helm, Monte L.; Bullock, R. Morris; Mock, Michael T.","Protonation Studies of a Tungsten Dinitrogen Complex Supported by a Diphosphine Ligand Containing a Pendant Amine","Organometallics","2014","33","9","2189","","10.1021/om401127v","","","0.71073","MoKα","","0.0471","0.0317","","","0.0506","0.0552","","","","","","1.014","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083102","39.272","0.014","28.384","0.009","36.443","0.012","90","","90","","90","","40623","2","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C45 H36 F24 O9 Si2 -","- C45 H36 F24 O9 Si2 -","- C1440 H1152 F768 O288 Si64 -","32","2","","Kano, Naokazu; Sasaki, Keishi; Miyake, Hideaki; Kawashima, Takayuki","Synthesis and Isolation of a Silylsilicate Containing Two Pentacoordinated Silicon Atoms by Monoprotonation of a Disilicate and Monodeprotonation of a Disilane","Organometallics","2014","33","9","2358","","10.1021/om500291k","","","0.7107","MoKα","","0.0968","0.0658","","","0.1464","0.166","","","","","","0.992","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4083103","12.567","0.005","22.96","0.008","19.153","0.008","90","","99.7765","0.0017","90","","5446","4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 F24 N O4 Si2 -","- C52 H53 F24 N O4 Si2 -","- C208 H212 F96 N4 O16 Si8 -","4","1","","Kano, Naokazu; Sasaki, Keishi; Miyake, Hideaki; Kawashima, Takayuki","Synthesis and Isolation of a Silylsilicate Containing Two Pentacoordinated Silicon Atoms by Monoprotonation of a Disilicate and Monodeprotonation of a Disilane","Organometallics","2014","33","9","2358","","10.1021/om500291k","","","0.7107","MoKα","","0.1347","0.0586","","","0.1092","0.1391","","","","","","0.929","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083104","11.2251","0.0015","11.6238","0.0015","12.226","0.003","101.367","0.002","98.26","0.002","115.223","0.002","1367.4","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H31 N5 -","- C34 H31 N5 -","- C68 H62 N10 -","2","1","","Gu, Xiaoxia; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Guangchao; Mu, Xiaolong","CNC-Pincer Rare-Earth Metal Amido Complexes with a Diarylamido Linked Biscarbene Ligand: Synthesis, Characterization, and Catalytic Activity","Organometallics","2014","33","9","2372","","10.1021/om500354s","","","0.71073","MoKα","","0.0884","0.0503","","","0.1321","0.156","","","","","","0.997","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083105","20.8663","0.0012","12.526","0.0007","20.525","0.0012","90","","110.174","0.001","90","","5035.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H66 Er N7 Si4 -","- C46 H66 Er N7 Si4 -","- C184 H264 Er4 N28 Si16 -","4","1","","Gu, Xiaoxia; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Guangchao; Mu, Xiaolong","CNC-Pincer Rare-Earth Metal Amido Complexes with a Diarylamido Linked Biscarbene Ligand: Synthesis, Characterization, and Catalytic Activity","Organometallics","2014","33","9","2372","","10.1021/om500354s","","","0.71073","MoKα","","0.0602","0.0329","","","0.0649","0.0736","","","","","","1.043","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083106","17.231","0.0011","17.6367","0.0011","18.4206","0.0012","111.021","0.001","106.194","0.001","93.607","0.001","4934.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H114 Cl N13 Si6 Y2 -","- C86 H114 Cl N13 Si5.978 Y2 -","- C172 H228 Cl2 N26 Si11.956 Y4 -","2","1","","Gu, Xiaoxia; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Guangchao; Mu, Xiaolong","CNC-Pincer Rare-Earth Metal Amido Complexes with a Diarylamido Linked Biscarbene Ligand: Synthesis, Characterization, and Catalytic Activity","Organometallics","2014","33","9","2372","","10.1021/om500354s","","","0.71073","MoKα","","0.0863","0.0453","","","0.0924","0.1006","","","","","","1.018","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083107","19.8629","0.0011","20.9829","0.0012","26.5792","0.0015","90","","105.963","0.001","90","","10650.5","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H114 Cl Er2 N13 Si6 -","- C86 H114 Cl Er2 N13 Si6 -","- C344 H456 Cl4 Er8 N52 Si24 -","4","1","","Gu, Xiaoxia; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Guangchao; Mu, Xiaolong","CNC-Pincer Rare-Earth Metal Amido Complexes with a Diarylamido Linked Biscarbene Ligand: Synthesis, Characterization, and Catalytic Activity","Organometallics","2014","33","9","2372","","10.1021/om500354s","","","0.71073","MoKα","","0.1274","0.0536","","","0.1093","0.1239","","","","","","0.969","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083108","19.992","0.002","20.881","0.002","26.908","0.003","90","","107.657","0.001","90","","10703.6","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H114 Cl N13 Si6 Yb2 -","- C86 H114 Cl N13 Si6 Yb2 -","- C344 H456 Cl4 N52 Si24 Yb8 -","4","1","","Gu, Xiaoxia; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Guangchao; Mu, Xiaolong","CNC-Pincer Rare-Earth Metal Amido Complexes with a Diarylamido Linked Biscarbene Ligand: Synthesis, Characterization, and Catalytic Activity","Organometallics","2014","33","9","2372","","10.1021/om500354s","","","0.71073","MoKα","","0.142","0.0516","","","0.1014","0.117","","","","","","0.98","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083109","14.7575","0.0009","20.7101","0.0012","21.9974","0.0013","106.543","0.001","91.909","0.001","94.612","0.001","6412.8","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H150 Cl N15 Na5 Si10 Yb -","- C98 H150 Cl N15 Na5 Si10 Yb -","- C196 H300 Cl2 N30 Na10 Si20 Yb2 -","2","1","","Gu, Xiaoxia; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Guangchao; Mu, Xiaolong","CNC-Pincer Rare-Earth Metal Amido Complexes with a Diarylamido Linked Biscarbene Ligand: Synthesis, Characterization, and Catalytic Activity","Organometallics","2014","33","9","2372","","10.1021/om500354s","","","0.71073","MoKα","","0.0692","0.0484","","","0.1255","0.1349","","","","","","1.052","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083110","20.869","0.003","12.536","0.0016","20.577","0.003","90","","110.18","0.002","90","","5052.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H66 N7 Si4 Y -","- C46 H66 N7 Si4 Y -","- C184 H264 N28 Si16 Y4 -","4","1","","Gu, Xiaoxia; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Guangchao; Mu, Xiaolong","CNC-Pincer Rare-Earth Metal Amido Complexes with a Diarylamido Linked Biscarbene Ligand: Synthesis, Characterization, and Catalytic Activity","Organometallics","2014","33","9","2372","","10.1021/om500354s","","","0.71073","MoKα","","0.1438","0.0604","","","0.1244","0.1549","","","","","","1.023","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083111","20.9122","0.001","12.4959","0.0006","20.6488","0.001","90","","110.2","0.001","90","","5064","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H66 N7 Si4 Sm -","- C46 H66 N7 Si4 Sm -","- C184 H264 N28 Si16 Sm4 -","4","1","","Gu, Xiaoxia; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Guangchao; Mu, Xiaolong","CNC-Pincer Rare-Earth Metal Amido Complexes with a Diarylamido Linked Biscarbene Ligand: Synthesis, Characterization, and Catalytic Activity","Organometallics","2014","33","9","2372","","10.1021/om500354s","","","0.71073","MoKα","","0.0636","0.0359","","","0.0724","0.0817","","","","","","1.031","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083112","21.002","0.009","12.514","0.006","20.688","0.009","90","","110.148","0.006","90","","5104","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H66 Eu N7 Si4 -","- C46 H66 Eu N7 Si4 -","- C184 H264 Eu4 N28 Si16 -","4","1","","Gu, Xiaoxia; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Guangchao; Mu, Xiaolong","CNC-Pincer Rare-Earth Metal Amido Complexes with a Diarylamido Linked Biscarbene Ligand: Synthesis, Characterization, and Catalytic Activity","Organometallics","2014","33","9","2372","","10.1021/om500354s","","","0.71073","MoKα","","0.1809","0.087","","","0.1716","0.193","","","","","","1.074","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083113","15.9155","0.0004","14.4122","0.0004","22.8409","0.0006","90","","102.7","0.003","90","","5111","0.2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H65 Cl2 N2 P Ru -","- C52 H65 Cl2 N2 P Ru -","- C208 H260 Cl8 N8 P4 Ru4 -","4","1","","Ablialimov, Osman; Kędziorek, Mariusz; Malińska, Maura; Woźniak, Krzysztof; Grela, Karol","Synthesis, Structure, and Catalytic Activity of New Ruthenium(II) Indenylidene Complexes Bearing Unsymmetrical N-Heterocyclic Carbenes","Organometallics","2014","33","9","2160","","10.1021/om4009197","","","0.7107","MoKα","","0.0804","0.06","","","0.1632","0.1758","","","","","","1.104","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083114","23.037","0.003","16.148","0.002","28.945","0.005","90","","103.772","0.005","90","","10458","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H64 Cl2 I N2 P Ru -","- C52 H64 Cl2 I N2 P Ru -","- C416 H512 Cl16 I8 N16 P8 Ru8 -","8","1","","Ablialimov, Osman; Kędziorek, Mariusz; Malińska, Maura; Woźniak, Krzysztof; Grela, Karol","Synthesis, Structure, and Catalytic Activity of New Ruthenium(II) Indenylidene Complexes Bearing Unsymmetrical N-Heterocyclic Carbenes","Organometallics","2014","33","9","2160","","10.1021/om4009197","","","0.71073","MoKα","","0.1755","0.0891","","","0.2191","0.2468","","","","","","0.84","","","","has coordinates","288255","2023-12-12","15:40:42",""
"4083115","9.9601","0.0009","9.9601","0.0009","14.2312","0.0015","90","","90","","90","","1411.8","0.2","100","1","100","1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C8 H20 Bi2 Te -","- C8 H20 Bi2 Te -","- C32 H80 Bi8 Te4 -","4","0.5","","Heimann, Stefan; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Solid-State Structures of Bis(diethylbismuthanyl)sulfane, -selenane, and -tellurane","Organometallics","2014","33","9","2295","","10.1021/om500208c","","","0.71073","MoKα","","0.0195","0.0176","","","0.0444","0.0451","","","","","","1.106","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083116","16.7869","0.0014","9.8232","0.0008","16.7972","0.0014","90","","108.324","0.003","90","","2629.4","0.4","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Bi2 Se -","- C8 H20 Bi2 Se -","- C64 H160 Bi16 Se8 -","8","2","","Heimann, Stefan; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Solid-State Structures of Bis(diethylbismuthanyl)sulfane, -selenane, and -tellurane","Organometallics","2014","33","9","2295","","10.1021/om500208c","","","0.71073","MoKα","","0.0474","0.0305","","","0.0503","0.0533","","","","","","1.048","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083117","19.995","0.002","19.995","0.002","13.2569","0.0016","90","","90","","90","","5300.1","1","240","1","240","1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C8 H20 Bi2 S -","- C8 H20 Bi2 S -","- C128 H320 Bi32 S16 -","16","2","","Heimann, Stefan; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Solid-State Structures of Bis(diethylbismuthanyl)sulfane, -selenane, and -tellurane","Organometallics","2014","33","9","2295","","10.1021/om500208c","","","0.71073","MoKα","","0.0637","0.0337","","","0.0558","0.063","","","","","","1.053","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083118","21.199","0.001","13.6732","0.001","22.5583","0.0013","90","","94.688","0.001","90","","6516.8","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Integration of Woo25","","","- C68 H58 B F4 Ir N6 O -","- C68 H58 B F4 Ir N6 O -","- C272 H232 B4 F16 Ir4 N24 O4 -","4","0.5","","Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith","Comparative Study of Rhodium and Iridium Porphyrin Diaminocarbene and N-Heterocyclic Carbene Complexes","Organometallics","2014","33","9","2219","","10.1021/om500081w","","","0.71073","MoKα","","0.0601","0.0409","","","0.1396","0.1563","","","","","","1.142","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083119","21.133","0.0013","13.6335","0.0008","22.5007","0.0013","90","","95.896","0.001","90","","6448.5","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H63 B F4 Ir N7 O2 -","- C71 H59 B F4 Ir N7 O2 -","- C284 H236 B4 F16 Ir4 N28 O8 -","4","0.5","","Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith","Comparative Study of Rhodium and Iridium Porphyrin Diaminocarbene and N-Heterocyclic Carbene Complexes","Organometallics","2014","33","9","2219","","10.1021/om500081w","","","0.71073","","","0.077","0.06","","","0.1812","0.1926","","","","","","1.149","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083120","20.7502","0.0016","20.7502","0.0016","14.377","0.0011","90","","90","","90","","6190.3","0.8","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","Woo35","","","- C72 H72 B F4 Ir N8 -","- C72 H72 B F4 Ir N8 -","- C288 H288 B4 F16 Ir4 N32 -","4","0.25","","Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith","Comparative Study of Rhodium and Iridium Porphyrin Diaminocarbene and N-Heterocyclic Carbene Complexes","Organometallics","2014","33","9","2219","","10.1021/om500081w","","","0.71073","MoKα","","0.0484","0.0376","","","0.1009","0.1175","","","","","","1.137","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083121","9.9009","0.0007","16.5931","0.0011","18.1728","0.0012","107.244","0.001","96.995","0.001","90.062","0.001","2827.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Integration of Woo34","","","- C65 H69 N6 O2 Rh -","- C65 H69 N6 O2 Rh -","- C130 H138 N12 O4 Rh2 -","2","1","","Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith","Comparative Study of Rhodium and Iridium Porphyrin Diaminocarbene and N-Heterocyclic Carbene Complexes","Organometallics","2014","33","9","2219","","10.1021/om500081w","","","0.71073","MoKα","","0.0854","0.0641","","","0.1764","0.1934","","","","","","1.051","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083122","9.8727","0.0011","16.6107","0.0019","18.154","0.002","107.208","0.002","96.73","0.002","90.354","0.002","2821.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Woo37","","","- C122 H116 Ir2 N12 O2 -","- C122 H116 Ir2 N12 O2 -","- C122 H116 Ir2 N12 O2 -","1","0.5","","Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith","Comparative Study of Rhodium and Iridium Porphyrin Diaminocarbene and N-Heterocyclic Carbene Complexes","Organometallics","2014","33","9","2219","","10.1021/om500081w","","","0.71073","MoKα","","0.0495","0.044","","","0.1223","0.1264","","","","","","1.035","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083123","33.5486","0.001","33.5486","0.001","20.9004","0.0007","90","","90","","90","","23523.6","1.3","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C121 H110 Au6 F12 O7 P6 -","- C121 H110 Au6 F12 O7 P6 -","- C968 H880 Au48 F96 O56 P48 -","8","1","","Koshevoy, Igor O.; Chang, Yuh-Chia; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Jänis, Janne; Pakkanen, Tapani A.; Chou, Pi-Tai","Luminescent Gold(I) Alkynyl Clusters Stabilized by Flexible Diphosphine Ligands","Organometallics","2014","33","9","2363","","10.1021/om5002952","","","0.71073","MoKα","","0.0682","0.0425","","","0.0948","0.1037","","","","","","1.055","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083124","19.4978","0.0008","29.3816","0.0011","22.3938","0.0008","90","","101.086","0.002","90","","12589.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C234 H302 Au12 F24 O11 P12 -","- C234 H302 Au12 F24 O11 P12 -","- C468 H604 Au24 F48 O22 P24 -","2","0.5","","Koshevoy, Igor O.; Chang, Yuh-Chia; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Jänis, Janne; Pakkanen, Tapani A.; Chou, Pi-Tai","Luminescent Gold(I) Alkynyl Clusters Stabilized by Flexible Diphosphine Ligands","Organometallics","2014","33","9","2363","","10.1021/om5002952","","","0.71073","MoKα","","0.0756","0.0466","","","0.112","0.1323","","","","","","1.07","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083125","23.6025","0.0008","16.7839","0.0006","33.6545","0.0011","90","","107.281","0.002","90","","12730.1","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C487 H638 Au24 F48 O29 P24 -","- C487 H638 Au24 F48 O29 P24 -","- C487 H638 Au24 F48 O29 P24 -","1","0.5","","Koshevoy, Igor O.; Chang, Yuh-Chia; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Jänis, Janne; Pakkanen, Tapani A.; Chou, Pi-Tai","Luminescent Gold(I) Alkynyl Clusters Stabilized by Flexible Diphosphine Ligands","Organometallics","2014","33","9","2363","","10.1021/om5002952","","","0.71073","MoKα","","0.0421","0.0324","","","0.0739","0.0772","","","","","","1.043","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083126","34.1255","0.0009","34.1255","0.0009","20.3712","0.0008","90","","90","","90","","23723.3","1.3","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C243 H236 Au12 Cl4 F24 O17 P12 -","- C243 H236 Au12 Cl4 F24 O17 P12 -","- C972 H944 Au48 Cl16 F96 O68 P48 -","4","0.5","","Koshevoy, Igor O.; Chang, Yuh-Chia; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Jänis, Janne; Pakkanen, Tapani A.; Chou, Pi-Tai","Luminescent Gold(I) Alkynyl Clusters Stabilized by Flexible Diphosphine Ligands","Organometallics","2014","33","9","2363","","10.1021/om5002952","","","0.71073","MoKα","","0.0478","0.0309","","","0.0594","0.066","","","","","","1.086","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083127","15.0393","0.0003","29.7546","0.0006","31.3338","0.0007","66.187","0.001","81.955","0.001","79.274","0.001","12570.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C267 H238 Au12 Cl4 O41 P8 -","- C267 H238 Au12 Cl4 O41 P8 -","- C534 H476 Au24 Cl8 O82 P16 -","2","1","","Koshevoy, Igor O.; Chang, Yuh-Chia; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Jänis, Janne; Pakkanen, Tapani A.; Chou, Pi-Tai","Luminescent Gold(I) Alkynyl Clusters Stabilized by Flexible Diphosphine Ligands","Organometallics","2014","33","9","2363","","10.1021/om5002952","","","0.71073","MoKα","","0.0861","0.0428","","","0.0952","0.1106","","","","","","1.002","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083128","18.9034","0.0008","19.2675","0.0008","21.7282","0.0009","88.392","0.002","86.507","0.002","86.23","0.002","7879.8","0.6","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C322 H306 Au16 F24 O21.5 P12 -","- C322 H306 Au16 F24 O21.5 P12 -","- C322 H306 Au16 F24 O21.5 P12 -","1","1","","Koshevoy, Igor O.; Chang, Yuh-Chia; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Jänis, Janne; Pakkanen, Tapani A.; Chou, Pi-Tai","Luminescent Gold(I) Alkynyl Clusters Stabilized by Flexible Diphosphine Ligands","Organometallics","2014","33","9","2363","","10.1021/om5002952","","","0.71073","MoKα","","0.0663","0.0452","","","0.0884","0.0941","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083129","14.199","0.005","16.461","0.005","17.911","0.005","113.154","0.005","94.902","0.005","107.696","0.005","3565.2","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H74 N8 O12 P2 Te5 -","- C68 H74 N8 O12 P2 Te5 -","- C136 H148 N16 O24 P4 Te10 -","2","1","","Metre, Ramesh K.; Kundu, Subrata; Sahoo, Dipankar; Chandrasekhar, Vadapalli","Reactions of RTeCl3(R = 2-phenylazophenyl) with Diorganophosphinic Acids. Te‒C Bond Cleavage and Stabilization of the Te═O Motif in an Umbrella-Shaped Te5O11P2Multi-metallacyclic Framework","Organometallics","2014","33","9","2380","","10.1021/om5000216","","","0.71069","MoKα","","0.0798","0.0577","","","0.1431","0.1683","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083130","10.852","0.005","19.673","0.005","20.666","0.005","82.173","0.005","74.833","0.005","73.995","0.005","4084","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H92 N8 O11 P2 Te5 -","- C84 H92 N8 O11 P2 Te5 -","- C168 H184 N16 O22 P4 Te10 -","2","1","","Metre, Ramesh K.; Kundu, Subrata; Sahoo, Dipankar; Chandrasekhar, Vadapalli","Reactions of RTeCl3(R = 2-phenylazophenyl) with Diorganophosphinic Acids. Te‒C Bond Cleavage and Stabilization of the Te═O Motif in an Umbrella-Shaped Te5O11P2Multi-metallacyclic Framework","Organometallics","2014","33","9","2380","","10.1021/om5000216","","","0.71069","MoKα","","0.0933","0.0592","","","0.1439","0.1618","","","","","","1.049","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083131","13.0951","0.0013","13.5357","0.0013","20.0552","0.0019","89.389","0.002","72.787","0.002","72.405","0.002","3224.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C83.17 H71.66 O3 W -","- C83.17 H71.66 O3 W -","- C166.34 H143.32 O6 W2 -","2","1","","Forrest, William P.; Axtell, Jonathan C.; Schrock, Richard R.","Tungsten Oxo Alkylidene Complexes as Initiators for the Stereoregular Polymerization of 2,3-Dicarbomethoxynorbornadiene","Organometallics","2014","33","9","2313","","10.1021/om5002364","","","0.71073","MoKα","","0.0622","0.0423","","","0.0893","0.0969","","","","","","1.044","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083132","9.355","0.0019","22.953","0.005","13.998","0.003","90","","94.068","0.004","90","","2998.2","1.1","293","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Cl F6 N3 P Rh Se -","- C26 H30 Cl F6 N3 P Rh Se -","- C104 H120 Cl4 F24 N12 P4 Rh4 Se4 -","4","1","","Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Mukherjee, Goutam; Singh, Ajai K.","Catalyst Activation with Cp*RhIII/IrIII‒1,2,3-Triazole-Based Organochalcogen Ligand Complexes: Transfer Hydrogenation via Loss of Cp* andN-MethylmorpholineN-Oxide Based vs Oppenauer-Type Oxidation","Organometallics","2014","33","9","2341","","10.1021/om500266p","","","0.71073","MoKα","","0.0659","0.0456","","","0.1033","0.1114","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083133","20.192","0.003","12.519","0.002","25.039","0.004","90","","110.217","0.003","90","","5939.5","1.6","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29.5 Cl F6 N3.5 P Rh S -","- C26 H29.5 Cl F6 N3.5 P Rh S -","- C208 H236 Cl8 F48 N28 P8 Rh8 S8 -","8","2","","Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Mukherjee, Goutam; Singh, Ajai K.","Catalyst Activation with Cp*RhIII/IrIII‒1,2,3-Triazole-Based Organochalcogen Ligand Complexes: Transfer Hydrogenation via Loss of Cp* andN-MethylmorpholineN-Oxide Based vs Oppenauer-Type Oxidation","Organometallics","2014","33","9","2341","","10.1021/om500266p","","","0.71073","MoKα","","0.1207","0.0683","","","0.1595","0.1835","","","","","","1.046","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083134","9.252","0.003","23.05","0.007","13.954","0.004","90","","94.082","0.005","90","","2968.3","1.6","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Cl F6 Ir N3 P Se -","- C26 H30 Cl F6 Ir N3 P Se -","- C104 H120 Cl4 F24 Ir4 N12 P4 Se4 -","4","1","","Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Mukherjee, Goutam; Singh, Ajai K.","Catalyst Activation with Cp*RhIII/IrIII‒1,2,3-Triazole-Based Organochalcogen Ligand Complexes: Transfer Hydrogenation via Loss of Cp* andN-MethylmorpholineN-Oxide Based vs Oppenauer-Type Oxidation","Organometallics","2014","33","9","2341","","10.1021/om500266p","","","0.71073","MoKα","","0.0813","0.0592","","","0.1649","0.2049","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083135","15.9608","0.0003","11.777","0.0002","20.7616","0.0004","90","","110.998","0.001","90","","3643.41","0.12","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C31 H46 B Cl2 Cu F4 Fe N4 O2 P2 -","- C31 H46 B Cl2 Cu F4 Fe N4 O2 P2 -","- C124 H184 B4 Cl8 Cu4 F16 Fe4 N16 O8 P8 -","4","1","","Jana, Rajkumar; Sarkar, Biprajit; Strobel, Sabine; Mobin, Shaikh M.; Kaim, Wolfgang; Fiedler, Jan","Electrochemical Evidence for Hemilabile Coordination of 1,3-Dimethyllumazine to [1,1′-Bis(diorganophosphino)ferrocene]copper(I)","Organometallics","2014","33","18","4784","","10.1021/om500039a","","","0.71073","MoKα","","0.0785","0.0412","","","0.0848","0.0957","","","","","","1.009","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083136","12.157","0.0013","13.5364","0.0017","13.6052","0.0015","76.514","0.01","70.315","0.01","70.216","0.01","1965.6","0.4","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H36 B Cu F4 Fe N4 O2 P2 -","- C42 H36 B Cu F4 Fe N4 O2 P2 -","- C84 H72 B2 Cu2 F8 Fe2 N8 O4 P4 -","2","1","","Jana, Rajkumar; Sarkar, Biprajit; Strobel, Sabine; Mobin, Shaikh M.; Kaim, Wolfgang; Fiedler, Jan","Electrochemical Evidence for Hemilabile Coordination of 1,3-Dimethyllumazine to [1,1′-Bis(diorganophosphino)ferrocene]copper(I)","Organometallics","2014","33","18","4784","","10.1021/om500039a","","","0.71073","MoKα","","0.116","0.0669","","","0.1204","0.1365","","","","","","1.017","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083137","10.033","0.002","16.454","0.003","9.866","0.002","90","","90","","90","","1628.7","0.6","20","2","20","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H27 Al Li N -","- C12 H27 Al Li N -","- C48 H108 Al4 Li4 N4 -","4","1","","Cole, Jacqueline M.; Waddell, Paul G.; Wheatley, Andrew E. H.; McIntyre, Garry J.; Peel, Andrew J.; Tate, Christopher W.; Linton, David J.","Neutron Diffraction Characterization of C‒H···Li Interactions in a Lithium Aluminate Polymer","Organometallics","2014","33","15","3919","","10.1021/om500271p","","","1.3213","neutrons","","0.0735","0.0527","","","0.0551","0.0561","","","","","","2.944","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083138","10.033","0.002","16.454","0.003","9.866","0.002","90","","90","","90","","1628.7","0.6","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H27 Al Li N -","- C12 H27 Al Li N -","- C48 H108 Al4 Li4 N4 -","4","1","","Cole, Jacqueline M.; Waddell, Paul G.; Wheatley, Andrew E. H.; McIntyre, Garry J.; Peel, Andrew J.; Tate, Christopher W.; Linton, David J.","Neutron Diffraction Characterization of C‒H···Li Interactions in a Lithium Aluminate Polymer","Organometallics","2014","33","15","3919","","10.1021/om500271p","","","0.71073","MoKα","","0.0908","0.0469","","","0.0954","0.1092","","","","","","1.025","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083139","10.56","0.0006","12.1947","0.0007","19.6336","0.0011","87.196","0.002","88.956","0.002","73.794","0.002","2424.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H22 B11 Cl11 D24 Si4 -","- C31 H22 B11 Cl11 D24 Si4 -","- C62 H44 B22 Cl22 D48 Si8 -","2","1","","Wehmschulte, Rudolf J.; Laali, Kenneth K.; Borosky, Gabriela L.; Powell, Douglas R.","Synthesis and Structure of the First Bridgehead Silylium Ion","Organometallics","2014","33","9","2146","","10.1021/om5003792","","","0.71073","MoKα","","0.054","0.0381","","","0.0966","0.1051","","","","","","1","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4083140","9.9269","0.0011","11.2556","0.0012","15.0062","0.0016","107.804","0.002","106.454","0.002","96.941","0.002","1491","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H33 Cl F6 P Rh S2 -","- C30 H33 Cl F6 P Rh S2 -","- C60 H66 Cl2 F12 P2 Rh2 S4 -","2","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K.","Half-Sandwich Rhodium/Iridium(III) Complexes Designed with Cp* and 1,2-Bis(phenylchalcogenomethyl)benzene as Catalysts for Transfer Hydrogenation in Glycerol","Organometallics","2014","33","10","2535","","10.1021/om500149n","","","0.71073","MoKα","","0.0429","0.0379","","","0.1256","0.1478","","","","","","1.084","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083141","8.758","0.003","12.069","0.004","17.057","0.006","107.388","0.007","98.924","0.007","104.306","0.007","1615.3","1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H33 Cl F6 P Rh Se2 -","- C30 H33 Cl F6 P Rh Se2 -","- C60 H66 Cl2 F12 P2 Rh2 Se4 -","2","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K.","Half-Sandwich Rhodium/Iridium(III) Complexes Designed with Cp* and 1,2-Bis(phenylchalcogenomethyl)benzene as Catalysts for Transfer Hydrogenation in Glycerol","Organometallics","2014","33","10","2535","","10.1021/om500149n","","","0.71073","MoKα","","0.0674","0.0452","","","0.1033","0.112","","","","","","1.004","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083142","8.6474","0.001","11.8078","0.0013","16.7039","0.0019","107.037","0.002","99.636","0.002","103.504","0.002","1533.8","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H33 Cl F6 Ir P S2 -","- C30 H33 Cl F6 Ir P S2 -","- C60 H66 Cl2 F12 Ir2 P2 S4 -","2","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K.","Half-Sandwich Rhodium/Iridium(III) Complexes Designed with Cp* and 1,2-Bis(phenylchalcogenomethyl)benzene as Catalysts for Transfer Hydrogenation in Glycerol","Organometallics","2014","33","10","2535","","10.1021/om500149n","","","0.71073","MoKα","","0.0204","0.0195","","","0.0439","0.0443","","","","","","1.066","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083143","8.761","0.003","12.095","0.005","17.08","0.009","107.227","0.009","99.339","0.009","104.003","0.007","1623","1.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H33 Cl F6 Ir P Se2 -","- C30 H33 Cl F6 Ir P Se2 -","- C60 H66 Cl2 F12 Ir2 P2 Se4 -","2","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K.","Half-Sandwich Rhodium/Iridium(III) Complexes Designed with Cp* and 1,2-Bis(phenylchalcogenomethyl)benzene as Catalysts for Transfer Hydrogenation in Glycerol","Organometallics","2014","33","10","2535","","10.1021/om500149n","","","0.71073","MoKα","","0.0746","0.0473","","","0.1021","0.113","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083144","13.146","0.0003","13.9307","0.0002","26.5845","0.0005","90","","90","","90","","4868.5","0.16","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,2'R)-bis-N-[alpha-{2-[1-benzyl(pyrrolidine-2-yl) carbonylamino]phenyl}benzylidene]glycinato-(N,N,N,O) nickel","","- C54 H52.97 N6 Ni2 O8.49 -","- C54 H52.972 N6 Ni2 O8.486 -","- C216 H211.888 N24 Ni8 O33.944 -","4","1","","Magdesieva, Tatiana V.; Levitskiy, Oleg A.; Grishin, Yuri K.; Ambartsumyan, Asmik A.; Paseshnichenko, Ksenia A.; Kolotyrkina, Natalia G.; Kochetkov, Konstantin A.","Chiral Nickel(II) Binuclear Complexes: Targeted Diastereoselective Electrosynthesis","Organometallics","2014","33","18","4639","","10.1021/om500034x","","","1.54186","CuKα","","0.0787","0.0543","","","0.1311","0.1506","","","","","","0.978","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083145","14.0814","0.0002","18.7855","0.0002","37.682","0.0006","90","","90","","90","","9967.9","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,2'S)-bis-N-[alpha-{2-[1-benzyl(pyrrolidine-2-yl) carbonylamino]phenyl}benzylidene]glycinato-(N,N,N,O) nickel","","- C55.52 H52.24 N6 Ni2 O6.6 -","- C55.5215 H52.24 N6 Ni2 O6.5985 -","- C444.172 H417.92 N48 Ni16 O52.788 -","8","2","","Magdesieva, Tatiana V.; Levitskiy, Oleg A.; Grishin, Yuri K.; Ambartsumyan, Asmik A.; Paseshnichenko, Ksenia A.; Kolotyrkina, Natalia G.; Kochetkov, Konstantin A.","Chiral Nickel(II) Binuclear Complexes: Targeted Diastereoselective Electrosynthesis","Organometallics","2014","33","18","4639","","10.1021/om500034x","","","1.54186","CuKα","","0.085","0.0598","","","0.1478","0.1601","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083146","7.9304","0.0016","11.059","0.002","18.655","0.004","83.25","0.03","82.86","0.03","87.94","0.03","1611.8","0.6","100","2","100","2","","","","","","","","10","P -1","-P 1","2","[(η^5^-C~5~Me~5~)Ru{PyNHP(^i^Pr~2~)CH=CHC~6~H~4~Br}Cl][BF~4~]H~2~O","{η^2^-[2-(4-Bromo-phenyl)-vinyl]-di(isopropyl)-(pyridin-2-yl-amine)- phosphonium-κ^1^ N}-chloro-(η^5^-pentamethylcyclopentadienyl)-ruthenium(II) tetrafluoroborate hydrate","","- C29 H42 B Br Cl F4 N2 O P Ru -","- C29 H42 B Br Cl F4 N2 O1.01 P Ru -","- C58 H84 B2 Br2 Cl2 F8 N4 O2.02 P2 Ru2 -","2","1","","Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Ortuño, Manuel A.; Ujaque, Gregori; Lledós, Agust\?í","Counteranion-Dependent Reaction Pathways in the Protonation of Cationic Ruthenium‒Vinylidene Complexes","Organometallics","2014","33","10","2549","","10.1021/om500179x","","x-ray","0.71073","MoKα","","0.0478","0.0429","","","0.1041","0.1068","","","","","","1.058","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083147","8.0391","0.0016","11.246","0.002","18.767","0.004","83.4","0.03","82.61","0.03","87.53","0.03","1670.7","0.6","293","2","293","2","","","","","","","","10","P -1","-P 1","2","[(η^5^-C~5~Me~5~)Ru{PyNHP(^i^Pr~2~)CH=CHC~6~H~4~Br}Cl][BF~4~].H~2~O","{η^2^-[2-(4-Bromo-phenyl)-vinyl]-di(isopropyl)-(pyridin-2-yl-amine)- phosphonium-κ^1^ N}-chloro-(η^5^-pentamethylcyclopentadienyl)-ruthenium(II) tetrafluoroborate hydrate","","- C29 H42 B Br Cl F4 N2 O P Ru -","- C29 H42 B Br Cl F4 N2 O P Ru -","- C58 H84 B2 Br2 Cl2 F8 N4 O2 P2 Ru2 -","2","1","","Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro; Ortuño, Manuel A.; Ujaque, Gregori; Lledós, Agust\?í","Counteranion-Dependent Reaction Pathways in the Protonation of Cationic Ruthenium‒Vinylidene Complexes","Organometallics","2014","33","10","2549","","10.1021/om500179x","","x-ray","0.71073","MoKα","","0.0669","0.0598","","","0.1583","0.1644","","","","","","1.043","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083148","9.3997","0.0013","11.3514","0.0015","23.623","0.003","90","","90.021","0.009","90","","2520.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","wdb_1_113","wdb_1_113","","- C23 H43 N P2 Pd -","- C23 H43 N P2 Pd -","- C92 H172 N4 P8 Pd4 -","4","1","","Bailey, Wilson D.; Kaminsky, Werner; Kemp, Richard A.; Goldberg, Karen I.","Synthesis and Characterization of Anionic, Neutral, and Cationic PNP Pincer PdIIand PtIIHydrides","Organometallics","2014","33","10","2503","","10.1021/om500054f","","","0.71073","MoKα","","0.1355","0.0834","","","0.1639","0.1824","","","","","","0.99","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083149","15.0598","0.0015","15.4771","0.0014","25.655","0.003","83.144","0.004","81.714","0.005","83.18","0.004","5843.5","1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","wdb_1_163","wdb_1_163","","- C24 H43.915 Cl0.085 F3 N O3 P2 Pd S -","- C23.9999 H43.9149 Cl0.0851 F2.99985 N O2.99985 P2 Pd S0.99995 -","- C192 H351.319 Cl0.6808 F23.9988 N8 O23.9988 P16 Pd8 S7.9996 -","8","4","","Bailey, Wilson D.; Kaminsky, Werner; Kemp, Richard A.; Goldberg, Karen I.","Synthesis and Characterization of Anionic, Neutral, and Cationic PNP Pincer PdIIand PtIIHydrides","Organometallics","2014","33","10","2503","","10.1021/om500054f","","","0.71073","MoKα","","0.0439","0.0339","","","0.076","0.0818","","","","","","1.069","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083150","15.062","0.002","15.441","0.002","19.89","0.003","106.715","0.007","92.145","0.007","96.467","0.007","4390.4","1.1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","wdb_2_56","wdb_2_56","","- C72 H131.7 Cl0.33 F9 N3 O9 P6 Pt3 S3 -","- C71.999 H131.705 Cl0.333 F8.997 N3 O8.997 P6 Pt3 S2.999 -","- C143.998 H263.41 Cl0.666 F17.994 N6 O17.994 P12 Pt6 S5.998 -","2","1","","Bailey, Wilson D.; Kaminsky, Werner; Kemp, Richard A.; Goldberg, Karen I.","Synthesis and Characterization of Anionic, Neutral, and Cationic PNP Pincer PdIIand PtIIHydrides","Organometallics","2014","33","10","2503","","10.1021/om500054f","","","0.71073","MoKα","","0.0421","0.036","","","0.0801","0.0825","","","","","","0.956","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083151","12.0998","0.0012","9.8492","0.001","24.725","0.003","90","","90.643","0.005","90","","2946.4","0.6","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","wdb_1_125","wdb_1_125","","- C24 H43 Cl F3 N O3 P2 Pd S -","- C24 H43 Cl F3 N O3 P2 Pd S -","- C96 H172 Cl4 F12 N4 O12 P8 Pd4 S4 -","4","1","","Bailey, Wilson D.; Kaminsky, Werner; Kemp, Richard A.; Goldberg, Karen I.","Synthesis and Characterization of Anionic, Neutral, and Cationic PNP Pincer PdIIand PtIIHydrides","Organometallics","2014","33","10","2503","","10.1021/om500054f","","","0.71073","MoKα","","0.0368","0.0265","","","0.057","0.0615","","","","","","1.057","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083152","11.3595","0.0007","13.9519","0.0009","26.7829","0.0016","97.677","0.001","93.471","0.002","98.738","0.002","4143.7","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H101 B2 N10 O Ru -","- C91 H101 B2 N10 O Ru -","- C182 H202 B4 N20 O2 Ru2 -","2","1","","Naziruddin, Abbas Raja; Kuo, Chia-Liang; Lin, Wan-Jung; Lo, Wei-Hao; Lee, Chen-Shiang; Sun, Bian-Jian; Chang, A. Hsiu Hwa; Hwang, Wen-Shu","Ruthenium Complexes Bearing Unsymmetric CNC′ Pincer Ligands: Molecular Structures and Electronic Properties","Organometallics","2014","33","10","2575","","10.1021/om500205p","","","0.71073","MoKα","","0.0877","0.0598","","","0.1485","0.1605","","","","","","1.071","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083153","12.6724","0.0004","14.0886","0.0005","15.8147","0.0005","82.195","0.001","80.397","0.001","82.768","0.001","2742.7","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 F12 N10 P2 Ru -","- C48 H58 F12 N10 P2 Ru -","- C96 H116 F24 N20 P4 Ru2 -","2","1","","Naziruddin, Abbas Raja; Kuo, Chia-Liang; Lin, Wan-Jung; Lo, Wei-Hao; Lee, Chen-Shiang; Sun, Bian-Jian; Chang, A. Hsiu Hwa; Hwang, Wen-Shu","Ruthenium Complexes Bearing Unsymmetric CNC′ Pincer Ligands: Molecular Structures and Electronic Properties","Organometallics","2014","33","10","2575","","10.1021/om500205p","","","0.71073","MoKα","","0.0813","0.0603","","","0.1658","0.1795","","","","","","1.085","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083154","9.1764","0.0002","13.3943","0.0003","21.2013","0.0006","76.414","0.001","86.404","0.001","86.207","0.001","2524.43","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 F12 N10 P2 Ru -","- C48 H58 F12 N10 P2 Ru -","- C96 H116 F24 N20 P4 Ru2 -","2","1","","Naziruddin, Abbas Raja; Kuo, Chia-Liang; Lin, Wan-Jung; Lo, Wei-Hao; Lee, Chen-Shiang; Sun, Bian-Jian; Chang, A. Hsiu Hwa; Hwang, Wen-Shu","Ruthenium Complexes Bearing Unsymmetric CNC′ Pincer Ligands: Molecular Structures and Electronic Properties","Organometallics","2014","33","10","2575","","10.1021/om500205p","","","0.71073","MoKα","","0.0581","0.0417","","","0.1033","0.1108","","","","","","1.063","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083155","19.2679","0.001","14.2908","0.0006","22.729","0.0012","90","","102.857","0.001","90","","6101.6","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H62 F12 N10 P2 Ru -","- C56 H62 F12 N10 P2 Ru -","- C224 H248 F48 N40 P8 Ru4 -","4","1","","Naziruddin, Abbas Raja; Kuo, Chia-Liang; Lin, Wan-Jung; Lo, Wei-Hao; Lee, Chen-Shiang; Sun, Bian-Jian; Chang, A. Hsiu Hwa; Hwang, Wen-Shu","Ruthenium Complexes Bearing Unsymmetric CNC′ Pincer Ligands: Molecular Structures and Electronic Properties","Organometallics","2014","33","10","2575","","10.1021/om500205p","","","0.71073","MoKα","","0.0849","0.058","","","0.157","0.1702","","","","","","1.077","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083156","9.224","0.004","9.483","0.003","19.546","0.006","88.48","0.01","79.07","0.03","73.21","0.03","1606.4","1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H45 P Sn -","- C36 H45 P Sn -","- C72 H90 P2 Sn2 -","2","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Intramolecularly Coordinated (6-(Diphenylphosphino)acenaphth-5-yl)stannanes. Repulsion vs Attraction of P- and Sn-Containing Substituents in theperiPositions","Organometallics","2014","33","10","2409","","10.1021/om500133a","","","0.71073","MoKα","","0.0606","0.0487","","","0.1211","0.127","","","","","","1.102","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083157","10.71","0.003","11.639","0.004","13.742","0.005","78.896","0.007","78.24","0.02","88.341","0.012","1645.5","1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H33 P Sn -","- C42 H33 P Sn -","- C84 H66 P2 Sn2 -","2","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Intramolecularly Coordinated (6-(Diphenylphosphino)acenaphth-5-yl)stannanes. Repulsion vs Attraction of P- and Sn-Containing Substituents in theperiPositions","Organometallics","2014","33","10","2409","","10.1021/om500133a","","","0.71073","MoKα","","0.0343","0.028","","","0.0675","0.0703","","","","","","1.048","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083158","12.229","0.002","11.539","0.002","21.523","0.004","90","","105.37","0.03","90","","2928.5","1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl P Sn -","- C36 H28 Cl P Sn -","- C144 H112 Cl4 P4 Sn4 -","4","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Intramolecularly Coordinated (6-(Diphenylphosphino)acenaphth-5-yl)stannanes. Repulsion vs Attraction of P- and Sn-Containing Substituents in theperiPositions","Organometallics","2014","33","10","2409","","10.1021/om500133a","","","0.71073","MoKα","","0.0263","0.0204","","","0.0489","0.0537","","","","","","1.044","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083159","13.702","0.003","14.544","0.003","26.567","0.005","90","","90","","90","","5294.3","1.9","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H23 Cl2 P Sn -","- C30 H23 Cl2 P Sn -","- C240 H184 Cl16 P8 Sn8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Intramolecularly Coordinated (6-(Diphenylphosphino)acenaphth-5-yl)stannanes. Repulsion vs Attraction of P- and Sn-Containing Substituents in theperiPositions","Organometallics","2014","33","10","2409","","10.1021/om500133a","","","0.71073","MoKα","","0.0735","0.0363","","","0.0774","0.0878","","","","","","0.913","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083160","10.174","0.002","10.47","0.002","15.129","0.003","99.85","0.03","96.06","0.03","115.56","0.03","1402.9","0.7","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Cl3 P Sn -","- C31 H26 Cl3 P Sn -","- C62 H52 Cl6 P2 Sn2 -","2","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Intramolecularly Coordinated (6-(Diphenylphosphino)acenaphth-5-yl)stannanes. Repulsion vs Attraction of P- and Sn-Containing Substituents in theperiPositions","Organometallics","2014","33","10","2409","","10.1021/om500133a","","","0.71073","MoKα","","0.0408","0.0331","","","0.1004","0.1074","","","","","","1.187","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083161","13.628","0.008","16.015","0.008","17.472","0.011","90","","99.95","0.08","90","","3756","4","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Cl2 P2 Sn -","- C48 H36 Cl2 P2 Sn -","- C192 H144 Cl8 P8 Sn4 -","4","0.5","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Intramolecularly Coordinated (6-(Diphenylphosphino)acenaphth-5-yl)stannanes. Repulsion vs Attraction of P- and Sn-Containing Substituents in theperiPositions","Organometallics","2014","33","10","2409","","10.1021/om500133a","","","0.71073","MoKα","","0.0499","0.0354","","","0.0785","0.0831","","","","","","1.032","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083162","9.75","0.002","13.894","0.003","26.77","0.005","90","","90","","90","","3626.4","1.3","173","","173","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C37.75 H29.5 Cl1.5 F3 O3 P S Sn -","- C37.75 H29.5 Cl1.5 F3 O3 P S Sn -","- C151 H118 Cl6 F12 O12 P4 S4 Sn4 -","4","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Intramolecularly Coordinated (6-(Diphenylphosphino)acenaphth-5-yl)stannanes. Repulsion vs Attraction of P- and Sn-Containing Substituents in theperiPositions","Organometallics","2014","33","10","2409","","10.1021/om500133a","","","0.71073","MoKα","","0.0333","0.0268","","","0.0614","0.064","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083163","10.904","0.002","18.628","0.004","28.006","0.006","90","","90","","90","","5689","2","173","","173","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C36 H28 F P Sn -","- C36 H28 F P Sn -","- C288 H224 F8 P8 Sn8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Intramolecularly Coordinated (6-(Diphenylphosphino)acenaphth-5-yl)stannanes. Repulsion vs Attraction of P- and Sn-Containing Substituents in theperiPositions","Organometallics","2014","33","10","2409","","10.1021/om500133a","","","0.71073","MoKα","","0.1632","0.0762","","","0.1182","0.1511","","","","","","0.89","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083164","8.3103","0.0003","18.3198","0.0009","9.518","0.0003","90","","114.573","0.002","90","","1317.81","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H27 N P2 S -","- C31 H27 N P2 S -","- C62 H54 N2 P4 S2 -","2","1","","Ghisolfi, Alessio; Fliedel, Christophe; Rosa, Vitor; Monakhov, Kirill Yu.; Braunstein, Pierre","Combined Experimental and Theoretical Study of Bis(diphenylphosphino)(N-thioether)amine-Type Ligands in Nickel(II) Complexes for Catalytic Ethylene Oligomerization","Organometallics","2014","33","10","2523","","10.1021/om500141k","","x-ray","0.71073","MoKα","","0.0453","0.0385","","","0.0926","0.0968","","","","","","1.058","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083165","14.521","0.002","16.318","0.002","12.1468","0.0017","90","","100.119","0.002","90","","2833.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N P2 S3 -","- C31 H27 N P2 S3 -","- C124 H108 N4 P8 S12 -","4","1","","Ghisolfi, Alessio; Fliedel, Christophe; Rosa, Vitor; Monakhov, Kirill Yu.; Braunstein, Pierre","Combined Experimental and Theoretical Study of Bis(diphenylphosphino)(N-thioether)amine-Type Ligands in Nickel(II) Complexes for Catalytic Ethylene Oligomerization","Organometallics","2014","33","10","2523","","10.1021/om500141k","","","0.71073","MoKα","","0.0582","0.0393","","","0.0955","0.1094","","","","","","1.027","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083166","9.874","0.0003","15.0213","0.0007","24.2524","0.001","90","","90.662","0.003","90","","3596.9","0.2","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C33 H31 Cl6 N Ni P2 S -","- C33 H31 Cl6 N Ni P2 S -","- C132 H124 Cl24 N4 Ni4 P8 S4 -","4","1","","Ghisolfi, Alessio; Fliedel, Christophe; Rosa, Vitor; Monakhov, Kirill Yu.; Braunstein, Pierre","Combined Experimental and Theoretical Study of Bis(diphenylphosphino)(N-thioether)amine-Type Ligands in Nickel(II) Complexes for Catalytic Ethylene Oligomerization","Organometallics","2014","33","10","2523","","10.1021/om500141k","","x-ray","0.71073","MoKα","","0.09","0.0515","","","0.1164","0.1415","","","","","","1.078","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083167","8.6574","0.0009","11.7718","0.0012","17.2664","0.0017","90","","101.742","0.002","90","","1722.9","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C34 H33 Cl2 N Ni O P2 S2 -","- C34 H33 Cl2 N Ni O P2 S2 -","- C68 H66 Cl4 N2 Ni2 O2 P4 S4 -","2","1","","Ghisolfi, Alessio; Fliedel, Christophe; Rosa, Vitor; Monakhov, Kirill Yu.; Braunstein, Pierre","Combined Experimental and Theoretical Study of Bis(diphenylphosphino)(N-thioether)amine-Type Ligands in Nickel(II) Complexes for Catalytic Ethylene Oligomerization","Organometallics","2014","33","10","2523","","10.1021/om500141k","","","0.71073","MoKα","","0.074","0.0447","","","0.0799","0.0882","","","","","","0.964","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083168","9.1292","0.0004","13.6817","0.0005","15.2189","0.0006","105.076","0.001","93.197","0.001","90.654","0.001","1831.94","0.13","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C66 H62 B2 Cl8 F8 N2 Ni P4 S4 -","- C66 H62 B2 Cl8 F8 N2 Ni P4 S4 -","- C66 H62 B2 Cl8 F8 N2 Ni P4 S4 -","1","0.5","","Ghisolfi, Alessio; Fliedel, Christophe; Rosa, Vitor; Monakhov, Kirill Yu.; Braunstein, Pierre","Combined Experimental and Theoretical Study of Bis(diphenylphosphino)(N-thioether)amine-Type Ligands in Nickel(II) Complexes for Catalytic Ethylene Oligomerization","Organometallics","2014","33","10","2523","","10.1021/om500141k","","","0.71073","MoKα","","0.0452","0.0335","","","0.079","0.0865","","","","","","1.03","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083169","10.1913","0.0009","11.6327","0.0011","14.911","0.0014","102.73","0.002","92.299","0.002","101.669","0.002","1682","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H29 Br2 Cl2 N Ni P2 S2 -","- C32 H29 Br2 Cl2 N Ni P2 S2 -","- C64 H58 Br4 Cl4 N2 Ni2 P4 S4 -","2","1","","Ghisolfi, Alessio; Fliedel, Christophe; Rosa, Vitor; Monakhov, Kirill Yu.; Braunstein, Pierre","Combined Experimental and Theoretical Study of Bis(diphenylphosphino)(N-thioether)amine-Type Ligands in Nickel(II) Complexes for Catalytic Ethylene Oligomerization","Organometallics","2014","33","10","2523","","10.1021/om500141k","","","0.71073","MoKα","","0.0867","0.0421","","","0.0882","0.1017","","","","","","0.975","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083170","9.5883","0.0002","15.8465","0.0005","20.0246","0.0006","90","","100.523","0.002","90","","2991.39","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 Cl2 N P2 Pd S2 -","- C31 H27 Cl2 N P2 Pd S2 -","- C124 H108 Cl8 N4 P8 Pd4 S8 -","4","1","","Ghisolfi, Alessio; Fliedel, Christophe; Rosa, Vitor; Monakhov, Kirill Yu.; Braunstein, Pierre","Combined Experimental and Theoretical Study of Bis(diphenylphosphino)(N-thioether)amine-Type Ligands in Nickel(II) Complexes for Catalytic Ethylene Oligomerization","Organometallics","2014","33","10","2523","","10.1021/om500141k","","","0.71073","MoKα","","0.0598","0.0446","","","0.1139","0.13","","","","","","1.199","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083171","10.032","0.004","9.496","0.005","18.872","0.005","90","","99.66","0.02","90","","1772.3","1.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H39 N3 Ni O5 -","- C42 H37 N3 Ni O5 -","- C84 H74 N6 Ni2 O10 -","2","1","","Magdesieva, Tatiana V.; Levitskiy, Oleg A.; Grishin, Yuri K.; Ambartsumyan, Asmik A.; Kiskin, Mikhail A.; Churakov, Andrei V.; Babievsky, Konstantin K.; Kochetkov, Konstantin A.","Electrochemically Deprotonated Chiral Nickel(II) Glycinate in Stereoselective Nucleophilic Addition to Michael Acceptors: Advantages and Limitations","Organometallics","2014","33","18","4629","","10.1021/om500070n","","","0.71073","MoKα","","0.0635","0.0377","","","0.0944","0.1054","","","","","","1.074","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083172","12.3717","0.0014","6.5709","0.0007","17.5678","0.0019","90","","96.262","0.006","90","","1419.6","0.3","110","2","110","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C18 H22 Ru -","- C18 H22 Ru -","- C72 H88 Ru4 -","4","2","","Cluff, Kyle J.; Bhuvanesh, Nattamai; Blümel, Janet","Adsorption of Ruthenium and Iron Metallocenes on Silica: A Solid-State NMR Study","Organometallics","2014","33","11","2671","","10.1021/om500254w","","","1.54178","CuKα","","0.021","0.0209","","","0.0514","0.0514","","","","","","1.12","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083173","27.14","0.003","10.6001","0.0011","17.9998","0.0019","90","","102.993","0.002","90","","5045.7","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 Ir O2 -","- C29 H31 Ir O2 -","- C232 H248 Ir8 O16 -","8","1","","Serrano, Oracio; Nicasio-Collazo, Juan; Morales, Guadalupe; Alvarado-Monzón, J. Carlos; Torres-Huerta, Aarón; Höpfl, Herbert; López, Jorge A.; Esqueda, Ana C.","Synthesis and Characterization of [Ir(AcacBiMs)(COD)] and [cis-Ir(AcacBiMs)2(COE-OH)]","Organometallics","2014","33","10","2561","","10.1021/om500230k","","","0.71073","MoKα","","0.0429","0.0343","","","0.0852","0.0894","","","","","","1.085","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083174","11.1785","0.0013","17.563","0.002","25.343","0.003","90","","90","","90","","4975.5","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H69 Ir O6 -","- C54 H69 Ir O6 -","- C216 H276 Ir4 O24 -","4","1","","Serrano, Oracio; Nicasio-Collazo, Juan; Morales, Guadalupe; Alvarado-Monzón, J. Carlos; Torres-Huerta, Aarón; Höpfl, Herbert; López, Jorge A.; Esqueda, Ana C.","Synthesis and Characterization of [Ir(AcacBiMs)(COD)] and [cis-Ir(AcacBiMs)2(COE-OH)]","Organometallics","2014","33","10","2561","","10.1021/om500230k","","","0.71073","MoKα","","0.0803","0.0705","","","0.1605","0.1663","","","","","","1.138","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083175","17.219","0.006","18.132","0.006","17.212","0.006","90","","107.492","0.004","90","","5125","3","113","","113","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C46 H60 B Cl2 F4 Ge3 P3 Pt3 -","- C46 H59 B Cl2 F4 Ge3 P3 Pt3 -","- C184 H236 B4 Cl8 F16 Ge12 P12 Pt12 -","4","1","","Tanaka, Kimiya; Tanabe, Makoto; Ide, Tomohito; Osakada, Kohtaro","Cationic Hydridotriplatinum Complex with Bridging Germylene Ligands","Organometallics","2014","33","10","2608","","10.1021/om500309k","","","0.7107","MoKα","","0.0622","0.0468","","","0.1125","0.1274","","","","","","1.022","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083176","12.4033","0.0004","16.7348","0.0006","20.6758","0.0006","90","","95.449","0.001","90","","4272.2","0.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 2/c 1","-P 2yc","13","","","","- C83 H88 Cl10 F6 Fe2 P5 -","- C83 H88 Cl10 F6 Fe2 P5 -","- C166 H176 Cl20 F12 Fe4 P10 -","2","0.5","","Burgun, Alexandre; Gendron, Frédéric; Sumby, Christopher J.; Roisnel, Thierry; Cador, Olivier; Costuas, Karine; Halet, Jean-François; Bruce, Michael I.; Lapinte, Claude","Hexatriynediyl Chain Spanning Two Cp*(dppe)M Termini (M = Fe, Ru): Evidence for the Dependence of Electronic and Magnetic Couplings on the Relative Orientation of the Termini","Organometallics","2014","33","10","2613","","10.1021/om500328y","","x-ray","0.71073","MoKα","","0.0697","0.0497","","","0.1254","0.1385","","","","","","1.042","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083177","13.3924","0.0002","17.219","0.0003","17.731","0.0003","90","","97.252","0.001","90","","4056.13","0.12","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H78 F12 Fe2 P6 -","- C78 H78 F12 Fe2 P6 -","- C156 H156 F24 Fe4 P12 -","2","0.5","","Burgun, Alexandre; Gendron, Frédéric; Sumby, Christopher J.; Roisnel, Thierry; Cador, Olivier; Costuas, Karine; Halet, Jean-François; Bruce, Michael I.; Lapinte, Claude","Hexatriynediyl Chain Spanning Two Cp*(dppe)M Termini (M = Fe, Ru): Evidence for the Dependence of Electronic and Magnetic Couplings on the Relative Orientation of the Termini","Organometallics","2014","33","10","2613","","10.1021/om500328y","","x-ray","0.71073","MoKα","","0.0568","0.049","","","0.1444","0.1516","","","","","","0.969","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083178","15.6981","0.0006","36.3877","0.0013","31.6438","0.0015","90","","91.638","0.004","90","","18068.1","1.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H78 F6 Fe P5 Ru -","- C78 H78 F6 Fe P5 Ru -","- C624 H624 F48 Fe8 P40 Ru8 -","8","1","","Burgun, Alexandre; Gendron, Frédéric; Sumby, Christopher J.; Roisnel, Thierry; Cador, Olivier; Costuas, Karine; Halet, Jean-François; Bruce, Michael I.; Lapinte, Claude","Hexatriynediyl Chain Spanning Two Cp*(dppe)M Termini (M = Fe, Ru): Evidence for the Dependence of Electronic and Magnetic Couplings on the Relative Orientation of the Termini","Organometallics","2014","33","10","2613","","10.1021/om500328y","","","0.71073","MoKα","","0.1117","0.0824","","","0.2186","0.2345","","","","","","1.097","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083179","11.483","0.002","18.8942","0.0015","21.2253","0.0017","90","","100.705","0.009","90","","4524.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H64 Cl4 Mg5 N4 O6 -","- C32 H64 Cl4 Mg5 N4 O6 -","- C128 H256 Cl16 Mg20 N16 O24 -","4","1","","Tskhovrebov, Alexander G.; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Reactions of Grignard Reagents with Nitrous Oxide","Organometallics","2014","33","10","2405","","10.1021/om500333y","","","0.71073","MoKα","","0.0612","0.0401","","","0.082","0.0928","","","","","","1.108","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083180","8.3803","0.0006","10.3708","0.0006","11.0004","0.0003","115.652","0.004","99.615","0.004","101.009","0.006","811.58","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H28 N4 O2 -","- C12 H28 N4 O2 -","- C24 H56 N8 O4 -","2","1","","Tskhovrebov, Alexander G.; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Reactions of Grignard Reagents with Nitrous Oxide","Organometallics","2014","33","10","2405","","10.1021/om500333y","","","0.71073","MoKα","","0.0409","0.0341","","","0.0892","0.0952","","","","","","1.086","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083181","7.5186","0.0003","13.2135","0.0004","27.5125","0.0013","90","","90","","90","","2733.28","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Cl N2 -","- C14 H15 Cl N2 -","- C112 H120 Cl8 N16 -","8","2","","Tskhovrebov, Alexander G.; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Reactions of Grignard Reagents with Nitrous Oxide","Organometallics","2014","33","10","2405","","10.1021/om500333y","","","1.54178","CuKα","","0.0756","0.0688","","","0.171","0.1841","","","","","","1.039","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083182","11.655","0.004","13.276","0.005","19.392","0.007","90","","100.548","0.009","90","","2949.9","1.8","125","","125","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 P Sn -","- C36 H37 P Sn -","- C144 H148 P4 Sn4 -","4","1","","Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ray, Matthew J.; Chalmers, Brian A.; Knight, Fergus R.; Ashbrook, Sharon E.; Bühl, Michael; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Restricted Tin Phosphines, Stabilized by Weak Intramolecular Donor‒Acceptor Interactions","Organometallics","2014","33","10","2424","","10.1021/om500289b","","","0.71075","MoKα","","","0.0629","","","","0.1399","","","","","","1.155","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083183","10.118","0.005","18.035","0.008","14.906","0.007","90","","93.905","0.012","90","","2714","2","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Cl P Sn -","- C30 H32 Cl P Sn -","- C120 H128 Cl4 P4 Sn4 -","4","1","","Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ray, Matthew J.; Chalmers, Brian A.; Knight, Fergus R.; Ashbrook, Sharon E.; Bühl, Michael; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Restricted Tin Phosphines, Stabilized by Weak Intramolecular Donor‒Acceptor Interactions","Organometallics","2014","33","10","2424","","10.1021/om500289b","","","0.71075","MoKα","","","0.0999","","","","0.2758","","","","","","1.139","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083184","10.0545","0.0011","11.7826","0.0013","18.088","0.002","90","","93.768","0.004","90","","2138.2","0.4","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Cl P Sn -","- C20 H28 Cl P Sn -","- C80 H112 Cl4 P4 Sn4 -","4","1","","Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ray, Matthew J.; Chalmers, Brian A.; Knight, Fergus R.; Ashbrook, Sharon E.; Bühl, Michael; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Restricted Tin Phosphines, Stabilized by Weak Intramolecular Donor‒Acceptor Interactions","Organometallics","2014","33","10","2424","","10.1021/om500289b","","","0.71075","MoKα","","","0.0666","","","","0.2082","","","","","","0.892","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083185","14.1031","0.001","18.697","0.0013","20.026","0.0014","90","","90","","90","","5280.6","0.6","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H40 Cl P Sn -","- C26 H40 Cl P Sn -","- C208 H320 Cl8 P8 Sn8 -","8","1","","Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ray, Matthew J.; Chalmers, Brian A.; Knight, Fergus R.; Ashbrook, Sharon E.; Bühl, Michael; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Restricted Tin Phosphines, Stabilized by Weak Intramolecular Donor‒Acceptor Interactions","Organometallics","2014","33","10","2424","","10.1021/om500289b","","","0.71075","MoKα","","","0.0321","","","","0.0723","","","","","","0.901","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083186","29.698","0.002","10.6522","0.0009","22.2988","0.0019","90","","125.683","0.002","90","","5729.8","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[RuCymQSMe]","","- C31 H41 N O Ru S -","- C31 H41 N O Ru S -","- C248 H328 N8 O8 Ru8 S8 -","8","1","","Bubrin, Martina; Schweinfurth, David; Ehret, Fabian; Záliš, Stanislav; Kvapilová, Hana; Fiedler, Jan; Zeng, Qiang; Hartl, František; Kaim, Wolfgang","Structure and Spectroelectrochemical Response of Arene‒Ruthenium and Arene‒Osmium Complexes with Potentially Hemilabile Noninnocent Ligands","Organometallics","2014","33","18","4973","","10.1021/om5002815","","x-ray","0.71073","MoKα","","0.1134","0.0674","","","0.1142","0.1312","","","","","","1.105","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083187","10.8505","0.0012","11.2996","0.0006","13.2358","0.0007","112.549","0.003","105.469","0.004","93.2","0.004","1421.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[RuCymQ3-CF3]","","- C31 H38 F3 N O Ru -","- C31 H38 F3 N O Ru -","- C62 H76 F6 N2 O2 Ru2 -","2","1","","Bubrin, Martina; Schweinfurth, David; Ehret, Fabian; Záliš, Stanislav; Kvapilová, Hana; Fiedler, Jan; Zeng, Qiang; Hartl, František; Kaim, Wolfgang","Structure and Spectroelectrochemical Response of Arene‒Ruthenium and Arene‒Osmium Complexes with Potentially Hemilabile Noninnocent Ligands","Organometallics","2014","33","18","4973","","10.1021/om5002815","","x-ray","0.71073","MoKα","","0.0282","0.0237","","","0.0584","0.0605","","","","","","1.013","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083188","11.1014","0.0004","22.426","0.0008","21.4064","0.0007","90","","93.308","0.002","90","","5320.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[RuCymQH]","","- C30 H39 N O Ru -","- C30 H39 N O Ru -","- C240 H312 N8 O8 Ru8 -","8","2","","Bubrin, Martina; Schweinfurth, David; Ehret, Fabian; Záliš, Stanislav; Kvapilová, Hana; Fiedler, Jan; Zeng, Qiang; Hartl, František; Kaim, Wolfgang","Structure and Spectroelectrochemical Response of Arene‒Ruthenium and Arene‒Osmium Complexes with Potentially Hemilabile Noninnocent Ligands","Organometallics","2014","33","18","4973","","10.1021/om5002815","","x-ray","1.54178","CuKα","","0.0363","0.0263","","","0.0601","0.0647","","","","","","1.011","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083189","11.1699","0.0006","22.2591","0.0011","24.9191","0.0013","90","","100.752","0.004","90","","6086.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[RuCymQEt]","","- C68 H95 N2 O3 Ru2 -","- C68 H95 N2 O3 Ru2 -","- C272 H380 N8 O12 Ru8 -","4","1","","Bubrin, Martina; Schweinfurth, David; Ehret, Fabian; Záliš, Stanislav; Kvapilová, Hana; Fiedler, Jan; Zeng, Qiang; Hartl, František; Kaim, Wolfgang","Structure and Spectroelectrochemical Response of Arene‒Ruthenium and Arene‒Osmium Complexes with Potentially Hemilabile Noninnocent Ligands","Organometallics","2014","33","18","4973","","10.1021/om5002815","","x-ray","1.54178","CuKα","","0.0767","0.0506","","","0.1145","0.1269","","","","","","0.994","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083190","11.7801","0.0006","12.3728","0.0006","19.8753","0.001","90","","102.134","0.002","90","","2832.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[RuCymQOMe]","","- C31 H41 N O2 Ru -","- C31 H41 N O2 Ru -","- C124 H164 N4 O8 Ru4 -","4","1","","Bubrin, Martina; Schweinfurth, David; Ehret, Fabian; Záliš, Stanislav; Kvapilová, Hana; Fiedler, Jan; Zeng, Qiang; Hartl, František; Kaim, Wolfgang","Structure and Spectroelectrochemical Response of Arene‒Ruthenium and Arene‒Osmium Complexes with Potentially Hemilabile Noninnocent Ligands","Organometallics","2014","33","18","4973","","10.1021/om5002815","","x-ray","1.54178","CuKα","","0.0399","0.0292","","","0.072","0.0755","","","","","","1.033","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083191","41.325","0.003","10.7148","0.0009","21.9662","0.0017","90","","97.538","0.003","90","","9642.3","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","[Ru(QSMe)2]PF6","","- C42 H54 F6 N2 O2 P Ru S2 -","- C42 H54 F6 N2 O2 P Ru S2 -","- C336 H432 F48 N16 O16 P8 Ru8 S16 -","8","1","","Bubrin, Martina; Schweinfurth, David; Ehret, Fabian; Záliš, Stanislav; Kvapilová, Hana; Fiedler, Jan; Zeng, Qiang; Hartl, František; Kaim, Wolfgang","Structure and Spectroelectrochemical Response of Arene‒Ruthenium and Arene‒Osmium Complexes with Potentially Hemilabile Noninnocent Ligands","Organometallics","2014","33","18","4973","","10.1021/om5002815","","x-ray","0.71073","MoKα","","0.0383","0.0356","","","0.0887","0.0902","","","","","","1.088","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083192","29.939","0.008","10.65","0.003","22.214","0.006","90","","125.272","0.006","90","","5783","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[RuCymQSe]","","- C31 H41 N O Ru Se -","- C31 H41 N O Ru Se -","- C248 H328 N8 O8 Ru8 Se8 -","8","1","","Bubrin, Martina; Schweinfurth, David; Ehret, Fabian; Záliš, Stanislav; Kvapilová, Hana; Fiedler, Jan; Zeng, Qiang; Hartl, František; Kaim, Wolfgang","Structure and Spectroelectrochemical Response of Arene‒Ruthenium and Arene‒Osmium Complexes with Potentially Hemilabile Noninnocent Ligands","Organometallics","2014","33","18","4973","","10.1021/om5002815","","x-ray","0.71073","MoKα","","0.1352","0.0693","","","0.1268","0.1415","","","","","","1.073","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083193","12.8123","0.0007","16.1068","0.001","18.375","0.0012","93.918","0.004","91.765","0.003","97.345","0.003","3749.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","[RuCymQSeMe]BArF","","- C63 H53 B F24 N O Ru Se -","- C63 H53 B F24 N O Ru Se -","- C126 H106 B2 F48 N2 O2 Ru2 Se2 -","2","1","","Bubrin, Martina; Schweinfurth, David; Ehret, Fabian; Záliš, Stanislav; Kvapilová, Hana; Fiedler, Jan; Zeng, Qiang; Hartl, František; Kaim, Wolfgang","Structure and Spectroelectrochemical Response of Arene‒Ruthenium and Arene‒Osmium Complexes with Potentially Hemilabile Noninnocent Ligands","Organometallics","2014","33","18","4973","","10.1021/om5002815","","x-ray","0.71073","MoKα","","0.0799","0.0566","","","0.1424","0.1532","","","","","","1.065","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083194","16.1476","0.0009","22.733","0.0011","22.758","0.0013","67.15","0.003","77.622","0.003","77.104","0.003","7428.1","0.7","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","[RuCymQSMe]BArF","","- C63 H53 B F24 N O Ru S -","- C63 H53 B F24 N O Ru S -","- C252 H212 B4 F96 N4 O4 Ru4 S4 -","4","2","","Bubrin, Martina; Schweinfurth, David; Ehret, Fabian; Záliš, Stanislav; Kvapilová, Hana; Fiedler, Jan; Zeng, Qiang; Hartl, František; Kaim, Wolfgang","Structure and Spectroelectrochemical Response of Arene‒Ruthenium and Arene‒Osmium Complexes with Potentially Hemilabile Noninnocent Ligands","Organometallics","2014","33","18","4973","","10.1021/om5002815","","x-ray","0.71073","MoKα","","0.0803","0.0495","","","0.1187","0.1285","","","","","","1.08","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083195","6.9801","0.0009","7.116","0.0009","12.9672","0.0016","92.073","0.002","105.116","0.002","107.034","0.002","590.09","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Ag2 Cl2 N6 S2 -","- C22 H18 Ag2 Cl2 N6 S2 -","- C22 H18 Ag2 Cl2 N6 S2 -","1","0.5","","Wang, Zhe; Ng, Sin Wee Benny; Jiang, Lu; Leong, Wen Jin; Zhao, Jin; Hor, T. S. Andy","Cyclopentadienyl Molybdenum(II) N,C-Chelating Benzothiazole-Carbene Complexes: Synthesis, Structure, and Application in Cyclooctene Epoxidation Catalysis","Organometallics","2014","33","10","2457","","10.1021/om401128z","","","0.71073","MoKα","","0.027","0.0253","","","0.0644","0.0652","","","","","","1.221","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083196","9.3758","0.0015","9.5645","0.0015","10.1551","0.0016","107.138","0.003","102.186","0.003","107.444","0.003","784.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H26 Ag2 Cl2 N6 S2 -","- C34 H26 Ag2 Cl2 N6 S2 -","- C34 H26 Ag2 Cl2 N6 S2 -","1","0.5","","Wang, Zhe; Ng, Sin Wee Benny; Jiang, Lu; Leong, Wen Jin; Zhao, Jin; Hor, T. S. Andy","Cyclopentadienyl Molybdenum(II) N,C-Chelating Benzothiazole-Carbene Complexes: Synthesis, Structure, and Application in Cyclooctene Epoxidation Catalysis","Organometallics","2014","33","10","2457","","10.1021/om401128z","","","0.71073","MoKα","","0.0303","0.0294","","","0.0721","0.0727","","","","","","1.069","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083197","7.1756","0.0007","9.6293","0.0009","11.2883","0.0011","91.786","0.002","105.081","0.002","109.104","0.002","705.83","0.12","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Ag Cl N3 S -","- C13 H11 Ag Cl N3 S -","- C26 H22 Ag2 Cl2 N6 S2 -","2","1","","Wang, Zhe; Ng, Sin Wee Benny; Jiang, Lu; Leong, Wen Jin; Zhao, Jin; Hor, T. S. Andy","Cyclopentadienyl Molybdenum(II) N,C-Chelating Benzothiazole-Carbene Complexes: Synthesis, Structure, and Application in Cyclooctene Epoxidation Catalysis","Organometallics","2014","33","10","2457","","10.1021/om401128z","","","0.71073","MoKα","","0.0411","0.0352","","","0.0822","0.0863","","","","","","1.044","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083198","9.2723","0.001","11.9265","0.0013","12.6157","0.0014","90.535","0.002","107.422","0.002","111.779","0.001","1224.6","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H18 Ag Br2 Mo N3 O2 S -","- C24 H18 Ag Br2 Mo N3 O2 S -","- C48 H36 Ag2 Br4 Mo2 N6 O4 S2 -","2","1","","Wang, Zhe; Ng, Sin Wee Benny; Jiang, Lu; Leong, Wen Jin; Zhao, Jin; Hor, T. S. Andy","Cyclopentadienyl Molybdenum(II) N,C-Chelating Benzothiazole-Carbene Complexes: Synthesis, Structure, and Application in Cyclooctene Epoxidation Catalysis","Organometallics","2014","33","10","2457","","10.1021/om401128z","","","0.71073","MoKα","","0.0536","0.0503","","","0.1536","0.1561","","","","","","1.032","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083199","9.0828","0.0012","14.1502","0.0018","16.363","0.002","90","","101.86","0.003","90","","2058.1","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 B F4 Mo N3 O2 S -","- C20 H16 B F4 Mo N3 O2 S -","- C80 H64 B4 F16 Mo4 N12 O8 S4 -","4","1","","Wang, Zhe; Ng, Sin Wee Benny; Jiang, Lu; Leong, Wen Jin; Zhao, Jin; Hor, T. S. Andy","Cyclopentadienyl Molybdenum(II) N,C-Chelating Benzothiazole-Carbene Complexes: Synthesis, Structure, and Application in Cyclooctene Epoxidation Catalysis","Organometallics","2014","33","10","2457","","10.1021/om401128z","","","0.71073","MoKα","","0.0264","0.0242","","","0.0638","0.0651","","","","","","1.052","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083200","12.6206","0.0007","8.8393","0.0005","20.2483","0.0011","90","","107.97","0.001","90","","2148.7","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 B F4 Mo N4 O2 S -","- C20 H17 B F4 Mo N4 O2 S -","- C80 H68 B4 F16 Mo4 N16 O8 S4 -","4","1","","Wang, Zhe; Ng, Sin Wee Benny; Jiang, Lu; Leong, Wen Jin; Zhao, Jin; Hor, T. S. Andy","Cyclopentadienyl Molybdenum(II) N,C-Chelating Benzothiazole-Carbene Complexes: Synthesis, Structure, and Application in Cyclooctene Epoxidation Catalysis","Organometallics","2014","33","10","2457","","10.1021/om401128z","","","0.71073","MoKα","","0.0431","0.0374","","","0.0897","0.0989","","","","","","1.094","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083201","9.5115","0.0014","11.3232","0.0016","19.407","0.003","90","","97.164","0.004","90","","2073.8","0.5","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Ag Br2 Mo N3 O2 S -","- C18 H14 Ag Br2 Mo N3 O2 S -","- C72 H56 Ag4 Br8 Mo4 N12 O8 S4 -","4","1","","Wang, Zhe; Ng, Sin Wee Benny; Jiang, Lu; Leong, Wen Jin; Zhao, Jin; Hor, T. S. Andy","Cyclopentadienyl Molybdenum(II) N,C-Chelating Benzothiazole-Carbene Complexes: Synthesis, Structure, and Application in Cyclooctene Epoxidation Catalysis","Organometallics","2014","33","10","2457","","10.1021/om401128z","","","0.71073","MoKα","","0.0929","0.0755","","","0.2397","0.258","","","","","","1.083","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083202","13.725","0.002","14.292","0.002","14.606","0.002","85.882","0.002","63.821","0.002","67.772","0.002","2364.5","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H18 B F4 Mo N3 O2 S -","- C24 H18 B F4 Mo N3 O2 S -","- C96 H72 B4 F16 Mo4 N12 O8 S4 -","4","2","","Wang, Zhe; Ng, Sin Wee Benny; Jiang, Lu; Leong, Wen Jin; Zhao, Jin; Hor, T. S. Andy","Cyclopentadienyl Molybdenum(II) N,C-Chelating Benzothiazole-Carbene Complexes: Synthesis, Structure, and Application in Cyclooctene Epoxidation Catalysis","Organometallics","2014","33","10","2457","","10.1021/om401128z","","","0.71073","MoKα","","0.0598","0.0432","","","0.1102","0.1171","","","","","","1.064","","","","has coordinates,has disorder","178721","2020-10-21","18:00:00",""
"4083203","7.418","0.003","11.3619","0.0016","11.7402","0.0016","116.125","0.003","98.235","0.005","96.54","0.005","861.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 Fe2 N O6 S2 -","- C12 H13 Fe2 N O6 S2 -","- C24 H26 Fe4 N2 O12 S4 -","2","1","","Crouthers, Danielle J.; Denny, Jason A.; Bethel, Ryan D.; Munoz, David G.; Darensbourg, Marcetta Y.","Conformational Mobility and Pendent Base Effects on Electrochemistry of Synthetic Analogues of the [FeFe]-Hydrogenase Active Site","Organometallics","2014","33","18","4747","","10.1021/om500023j","","","0.71073","MoKα","","0.0307","0.026","","","0.0632","0.0653","","","","","","1.062","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083204","9.4054","0.0005","16.8216","0.0007","11.4133","0.0006","90","","99.524","0.004","90","","1780.85","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cl2 N4 Pd Si -","- C16 H16 Cl2 N4 Pd Si -","- C64 H64 Cl8 N16 Pd4 Si4 -","4","1","","Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg","7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd‒Si Axis","Organometallics","2014","33","10","2479","","10.1021/om401220m","","","0.71073","MoKα","","0.0334","0.0242","","","0.0527","0.0561","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083205","9.3545","0.0006","9.5628","0.0004","25.5303","0.0015","90","","93.7","0.005","90","","2279.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl2 N6 Pd Si -","- C22 H18 Cl2 N6 Pd Si -","- C88 H72 Cl8 N24 Pd4 Si4 -","4","1","","Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg","7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd‒Si Axis","Organometallics","2014","33","10","2479","","10.1021/om401220m","","","0.71073","MoKα","","0.0521","0.0309","","","0.0572","0.0621","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083206","9.9846","0.0007","11.4561","0.0008","12.1879","0.0009","95.893","0.006","101.88","0.006","102.523","0.006","1315.86","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cl2 N8 Pd Si -","- C28 H20 Cl2 N8 Pd Si -","- C56 H40 Cl4 N16 Pd2 Si2 -","2","1","","Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg","7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd‒Si Axis","Organometallics","2014","33","10","2479","","10.1021/om401220m","","","0.71073","MoKα","","0.0579","0.0365","","","0.0685","0.0745","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083207","9.3497","0.0008","11.6084","0.001","12.2956","0.001","82.554","0.007","73.025","0.007","71.534","0.007","1209.63","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 N8 Si -","- C28 H20 N8 Si -","- C56 H40 N16 Si2 -","2","1","","Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg","7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd‒Si Axis","Organometallics","2014","33","10","2479","","10.1021/om401220m","","","0.71073","MoKα","","0.0604","0.0377","","","0.0825","0.0905","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083208","19.2078","0.0008","12.6393","0.0006","22.5969","0.0008","90","","99.572","0.003","90","","5409.5","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 N9 Si -","- C30 H23 N9 Si -","- C240 H184 N72 Si8 -","8","1","","Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg","7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd‒Si Axis","Organometallics","2014","33","10","2479","","10.1021/om401220m","","","0.71073","MoKα","","0.0499","0.0359","","","0.0859","0.0917","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083209","12.4286","0.0006","16.9865","0.0011","18.9875","0.0009","90","","101.579","0.004","90","","3927","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N6 Si -","- C22 H18 N6 Si -","- C176 H144 N48 Si8 -","8","2","","Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg","7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd‒Si Axis","Organometallics","2014","33","10","2479","","10.1021/om401220m","","","0.71073","MoKα","","0.0702","0.0399","","","0.0817","0.0902","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083210","9.2632","0.0005","13.1686","0.0008","13.9409","0.0008","68.015","0.004","72.939","0.005","82.864","0.005","1507.3","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 Si -","- C16 H16 N4 Si -","- C64 H64 N16 Si4 -","4","2","","Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg","7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd‒Si Axis","Organometallics","2014","33","10","2479","","10.1021/om401220m","","","0.71073","MoKα","","0.0413","0.0339","","","0.0872","0.0907","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083211","11.6209","0.0006","12.503","0.0006","17.0544","0.0009","88.211","0.004","88.199","0.004","61.859","0.004","2183.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H35 Cl N14 Si2 -","- C49 H35 Cl N14 Si2 -","- C98 H70 Cl2 N28 Si4 -","2","1","","Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg","7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd‒Si Axis","Organometallics","2014","33","10","2479","","10.1021/om401220m","","","0.71073","MoKα","","0.0555","0.0367","","","0.0875","0.0947","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083212","10.135","0.0005","11.4539","0.0006","11.9551","0.0007","71.326","0.004","81.32","0.004","65.913","0.004","1199.94","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10.5 Cl2 N3.5 Pd -","- C10 H10.5 Cl2 N3.5 Pd -","- C40 H42 Cl8 N14 Pd4 -","4","2","","Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg","7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd‒Si Axis","Organometallics","2014","33","10","2479","","10.1021/om401220m","","","0.71073","MoKα","","0.0352","0.0254","","","0.0546","0.0586","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083213","9.0791","0.0006","10.3656","0.0006","19.8345","0.0013","82.086","0.005","79.007","0.005","63.664","0.004","1639.2","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H43 Cl13 N16 Pd2 Si2 -","- C59 H43 Cl13 N16 Pd2 Si2 -","- C59 H43 Cl13 N16 Pd2 Si2 -","1","0.5","","Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg","7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd‒Si Axis","Organometallics","2014","33","10","2479","","10.1021/om401220m","","","0.71073","MoKα","","0.0886","0.0744","","","0.1535","0.1579","","","","","","1.268","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083214","8.9934","0.0008","8.9934","0.0008","16.093","0.002","90","","90","","90","","1301.6","0.2","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C28 H20 Cl2 N8 Pd Si -","- C28 H20 Cl2 N8 Pd Si -","- C56 H40 Cl4 N16 Pd2 Si2 -","2","0.125","","Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg","7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd‒Si Axis","Organometallics","2014","33","10","2479","","10.1021/om401220m","","","0.71073","MoKα","","0.0646","0.0439","","","0.0917","0.0994","","","","","","1.107","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083215","9.0499","0.0006","9.0499","0.0006","20.718","0.002","90","","90","","90","","1696.8","0.2","180","2","180","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C30 H23 Cl5 Ga N9 Pd Si -","- C30 H23 Cl5 Ga N9 Pd Si -","- C60 H46 Cl10 Ga2 N18 Pd2 Si2 -","2","0.25","","Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg","7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd‒Si Axis","Organometallics","2014","33","10","2479","","10.1021/om401220m","","","0.71073","MoKα","","0.0618","0.0352","","","0.0668","0.0733","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083216","12.9524","0.0006","15.5485","0.0008","17.6641","0.0009","109.348","0.004","92.53","0.004","91.058","0.004","3351.1","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H42 Cl13 Ga N16 Pd2 Si2 -","- C58 H42 Cl13 Ga N16 Pd2 Si2 -","- C116 H84 Cl26 Ga2 N32 Pd4 Si4 -","2","1","","Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg","7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd‒Si Axis","Organometallics","2014","33","10","2479","","10.1021/om401220m","","","0.71073","MoKα","","0.0627","0.0393","","","0.0863","0.094","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083284","10.5623","0.0018","13.393","0.002","31.978","0.005","80.219","0.002","84.491","0.002","67.483","0.002","4115.7","1.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H65 F24 N21 P4 Ru2 -","- C76 H65 F24 N21 P4 Ru2 -","- C152 H130 F48 N42 P8 Ru4 -","2","1","","Nagashima, Takumi; Nakabayashi, Takuya; Suzuki, Takashi; Kanaizuka, Katsuhiko; Ozawa, Hiroaki; Zhong, Yu-Wu; Masaoka, Shigeyuki; Sakai, Ken; Haga, Masa-aki","Tuning of Metal‒Metal Interactions in Mixed-Valence States of Cyclometalated Dinuclear Ruthenium and Osmium Complexes Bearing Tetrapyridylpyrazine or -benzene","Organometallics","2014","33","18","4893","","10.1021/om500142t","","","0.71073","MoKα","","0.0591","0.0494","","","0.1043","0.108","","","","","","1.148","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083285","13.5186","0.0011","12.0847","0.0009","18.223","0.0014","90","","93.335","0.002","90","","2972","0.4","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C33 H46 P2 -","- C33 H46 P2 -","- C132 H184 P8 -","4","0.5","","Barrett, Brittany J.; Iluc, Vlad M.","Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone","Organometallics","2014","33","10","2565","","10.1021/om500256r","","","0.71073","MoKα","","0.0406","0.0298","","","0.0661","0.0711","","","","","","1.039","","","","has coordinates,has disorder","178721","2020-10-21","18:00:00",""
"4083286","8.8598","0.001","9.8216","0.0011","29.245","0.003","90","","97.096","0.002","90","","2525.3","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 Cl Ni P2 -","- C26 H37 Cl Ni P2 -","- C104 H148 Cl4 Ni4 P8 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone","Organometallics","2014","33","10","2565","","10.1021/om500256r","","","0.71073","MoKα","","0.0521","0.0345","","","0.0695","0.0743","","","","","","1.015","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083287","15.5062","0.0011","11.0311","0.0008","14.9547","0.0011","90","","90","","90","","2558","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H37 Cl P2 Pd -","- C26 H37 Cl P2 Pd -","- C104 H148 Cl4 P8 Pd4 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone","Organometallics","2014","33","10","2565","","10.1021/om500256r","","","0.71073","MoKα","","0.028","0.0236","","","0.0483","0.0496","","","","","","1.038","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083288","16.385","0.003","16.756","0.003","17.013","0.003","96.367","0.002","116.335","0.002","114.271","0.002","3561.8","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H84 Cl6 Ni3 P4 -","- C56 H84 Cl6 Ni3 P4 -","- C112 H168 Cl12 Ni6 P8 -","2","1","","Barrett, Brittany J.; Iluc, Vlad M.","Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone","Organometallics","2014","33","10","2565","","10.1021/om500256r","","","0.71073","MoKα","","0.0515","0.0334","","","0.0685","0.0717","","","","","","0.89","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083289","15.245","0.002","10.7277","0.0016","31.655","0.005","90","","101.825","0.003","90","","5067.1","1.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Ni P2 -","- C26 H38 Ni P2 -","- C208 H304 Ni8 P16 -","8","2","","Barrett, Brittany J.; Iluc, Vlad M.","Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone","Organometallics","2014","33","10","2565","","10.1021/om500256r","","","0.71073","MoKα","","0.1361","0.0566","","","0.0807","0.0931","","","","","","0.895","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083290","9.4899","0.0009","20.45","0.002","13.074","0.0013","90","","92.696","0.002","90","","2534.4","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl Ni P2 -","- C26 H38 Cl Ni P2 -","- C104 H152 Cl4 Ni4 P8 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone","Organometallics","2014","33","10","2565","","10.1021/om500256r","","","0.71073","MoKα","","0.0572","0.0362","","","0.0694","0.0796","","","","","","1.061","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083291","8.0612","0.0015","15.333","0.003","21.312","0.004","90","","91.438","0.003","90","","2633.4","0.9","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 I Ni P2 -","- C26 H38 I Ni P2 -","- C104 H152 I4 Ni4 P8 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone","Organometallics","2014","33","10","2565","","10.1021/om500256r","","","0.71073","MoKα","","0.0352","0.0236","","","0.0477","0.0512","","","","","","1.014","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083292","12.8344","0.0011","12.8344","0.0011","34.222","0.003","90","","90","","90","","5637.1","0.8","120","2","120","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C52 H76 P4 Pd2 -","- C52 H76 P4 Pd2 -","- C208 H304 P16 Pd8 -","4","0.5","","Barrett, Brittany J.; Iluc, Vlad M.","Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone","Organometallics","2014","33","10","2565","","10.1021/om500256r","","","0.71073","MoKα","","0.0485","0.0382","","","0.0634","0.0659","","","","","","1.051","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083293","12.3677","0.0011","13.0174","0.0011","21.8913","0.0019","90","","102.569","0.0011","90","","3439.9","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 Cl4 I Ni P2 -","- C29 H45 Cl4 I Ni P2 -","- C116 H180 Cl16 I4 Ni4 P8 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone","Organometallics","2014","33","10","2565","","10.1021/om500256r","","","0.71073","MoKα","","0.026","0.0214","","","0.0509","0.0523","","","","","","1.045","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083294","9.191","0.003","12.287","0.004","13.462","0.004","111.574","0.005","100.484","0.006","101.168","0.006","1332.5","0.7","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H26 Cl F3 N4 O3 Ru S -","- C25 H26 Cl F3 N4 O3 Ru S -","- C50 H52 Cl2 F6 N8 O6 Ru2 S2 -","2","1","","Bolje, Aljoša; Hohloch, Stephan; Urankar, Damijana; Pevec, Andrej; Gazvoda, Martin; Sarkar, Biprajit; Košmrlj, Janez","Exploring the Scope of Pyridyl- and Picolyl-Functionalized 1,2,3-Triazol-5-ylidenes in Bidentate Coordination to Ruthenium(II) Cymene Chloride Complexes","Organometallics","2014","33","10","2588","","10.1021/om500287t","","","0.71073","MoKα","","0.0723","0.053","","","0.1081","0.1148","","","","","","1.119","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083295","9.2541","0.0019","16.239","0.003","20.019","0.004","90","","90","","90","","3008.4","1","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 B Br Cl4 F4 N4 Ru -","- C25 H26 B Br Cl4 F4 N4 Ru -","- C100 H104 B4 Br4 Cl16 F16 N16 Ru4 -","4","1","","Bolje, Aljoša; Hohloch, Stephan; Urankar, Damijana; Pevec, Andrej; Gazvoda, Martin; Sarkar, Biprajit; Košmrlj, Janez","Exploring the Scope of Pyridyl- and Picolyl-Functionalized 1,2,3-Triazol-5-ylidenes in Bidentate Coordination to Ruthenium(II) Cymene Chloride Complexes","Organometallics","2014","33","10","2588","","10.1021/om500287t","","","0.71073","MoKα","","0.0273","0.027","","","0.07","0.0703","","","","","","1.041","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083296","7.674","0.005","12.156","0.005","15.185","0.005","67.756","0.005","83.983","0.005","86.125","0.005","1303.3","1.1","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 Cl F6 N4 P Ru -","- C25 H28 Cl F6 N4 P Ru -","- C50 H56 Cl2 F12 N8 P2 Ru2 -","2","1","","Bolje, Aljoša; Hohloch, Stephan; Urankar, Damijana; Pevec, Andrej; Gazvoda, Martin; Sarkar, Biprajit; Košmrlj, Janez","Exploring the Scope of Pyridyl- and Picolyl-Functionalized 1,2,3-Triazol-5-ylidenes in Bidentate Coordination to Ruthenium(II) Cymene Chloride Complexes","Organometallics","2014","33","10","2588","","10.1021/om500287t","","","0.71069","MoKα","","0.0695","0.0416","","","0.0934","0.1082","","","","","","1.05","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083297","11.6747","0.0016","12.9731","0.0018","26.144","0.004","90","","90","","90","","3959.7","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H25 B10 Co S2 -","- C12 H25 B10 Co S2 -","- C96 H200 B80 Co8 S16 -","8","1","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.0716","0.0442","","","0.0916","0.0969","","","","","","0.854","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083298","7.386","0.003","17.219","0.006","11.397","0.004","90","","95.628","0.005","90","","1442.5","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 B10 Co0 O2 S2 -","- C6 H14 B10 O2 S2 -","- C24 H56 B40 O8 S8 -","4","1","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.072","0.054","","","0.141","0.1507","","","","","","0.953","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083299","24.319","0.004","7.3753","0.0011","11.9356","0.0018","90","","90","","90","","2140.8","0.6","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C15 H20 B10 Co0 Fe O S2 -","- C15 H20 B10 Fe O S2 -","- C60 H80 B40 Fe4 O4 S8 -","4","1","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.0486","0.039","","","0.0803","0.0835","","","","","","0.912","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083300","11.0151","0.0013","12.523","0.0015","12.7305","0.0015","90","","94.31","0.002","90","","1751.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 B10 O S2 -","- C11 H16 B10 O S2 -","- C44 H64 B40 O4 S8 -","4","1","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.0539","0.0453","","","0.1359","0.1427","","","","","","1.067","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083301","8.991","0.002","16.224","0.004","19.026","0.005","90","","90","","90","","2775.3","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H28 B20 O2 S4 -","- C12 H28 B20 O2 S4 -","- C48 H112 B80 O8 S16 -","4","0.5","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.0382","0.0351","","","0.1032","0.1054","","","","","","1.077","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083302","21.296","0.003","7.2966","0.0011","20.159","0.003","90","","90","","90","","3132.5","0.8","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H14 B10 O2 S2 -","- C9 H14 B10 O2 S2 -","- C72 H112 B80 O16 S16 -","8","2","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.0736","0.0726","","","0.1772","0.1784","","","","","","1.048","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083303","10.9615","0.0007","14.6213","0.0009","11.9299","0.0008","90","","94.688","0.001","90","","1905.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 B10 Fe O0 S2 -","- C14 H20 B10 Fe S2 -","- C56 H80 B40 Fe4 S8 -","4","1","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.0478","0.0422","","","0.1212","0.1247","","","","","","1.059","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083304","13.4987","0.0012","15.7269","0.0014","7.9422","0.0007","90","","90","","90","","1686.1","0.3","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H16 B10 S2 -","- C10 H16 B10 S2 -","- C40 H64 B40 S8 -","4","1","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.0397","0.0382","","","0.0975","0.0992","","","","","","1.041","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083305","7.1833","0.0014","11.771","0.002","19.299","0.004","90","","90","","90","","1631.8","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 B10 F S2 -","- C10 H15 B10 F S2 -","- C40 H60 B40 F4 S8 -","4","1","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.0971","0.081","","","0.1976","0.2102","","","","","","1.031","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083306","7.3896","0.0012","12.286","0.002","19.193","0.003","90","","107.397","0.006","90","","1662.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 B10 F S2 -","- C10 H15 B10 F S2 -","- C40 H60 B40 F4 S8 -","4","1","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.1093","0.0918","","","0.2439","0.2549","","","","","","0.966","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083307","5.2048","0.0008","11.4426","0.0016","24.329","0.004","90","","91.116","0.007","90","","1448.7","0.4","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 S4 -","- C12 H11 N3 S4 -","- C48 H44 N12 S16 -","4","1","","Yzambart, Gilles; Fabre, Bruno; Roisnel, Thierry; Dorcet, Vincent; Ababou-Girard, Soraya; Meriadec, Cristelle; Lorcy, Dominique","Assembly of Platinum Diimine Dithiolate Complexes onto Hydrogen-Terminated Silicon Surfaces","Organometallics","2014","33","18","4766","","10.1021/om5000369","","x-ray","0.71073","MoKα","","0.1233","0.0782","","","0.2352","0.2611","","","","","","1.11","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083308","8.241","0.0002","8.8161","0.0002","11.7669","0.0003","97.166","0.001","102.267","0.001","90.086","0.001","828.52","0.03","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H11 N3 Pt S4 -","- C16 H11 N3 Pt S4 -","- C32 H22 N6 Pt2 S8 -","2","1","","Yzambart, Gilles; Fabre, Bruno; Roisnel, Thierry; Dorcet, Vincent; Ababou-Girard, Soraya; Meriadec, Cristelle; Lorcy, Dominique","Assembly of Platinum Diimine Dithiolate Complexes onto Hydrogen-Terminated Silicon Surfaces","Organometallics","2014","33","18","4766","","10.1021/om5000369","","x-ray","0.71073","MoKα","","0.0228","0.0207","","","0.0465","0.0473","","","","","","1.067","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083309","12.4205","0.0018","15.252","0.002","15.807","0.002","73.738","0.004","70.722","0.005","71.165","0.004","2624.3","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24.5 H28 Cl N3 Pt S4 -","- C24.5 H28 Cl N3 Pt S4 -","- C98 H112 Cl4 N12 Pt4 S16 -","4","2","","Yzambart, Gilles; Fabre, Bruno; Roisnel, Thierry; Dorcet, Vincent; Ababou-Girard, Soraya; Meriadec, Cristelle; Lorcy, Dominique","Assembly of Platinum Diimine Dithiolate Complexes onto Hydrogen-Terminated Silicon Surfaces","Organometallics","2014","33","18","4766","","10.1021/om5000369","","x-ray","0.71073","MoKα","","0.1758","0.0747","","","0.1591","0.2067","","","","","","0.95","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083310","12.8524","0.0003","11.9482","0.0002","16.5506","0.0003","90","","94.615","0.001","90","","2533.32","0.09","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C21 H25 Cl3 N2 O2 Pt S2 -","- C21 H25 Cl3 N2 O2 Pt S2 -","- C84 H100 Cl12 N8 O8 Pt4 S8 -","4","1","","Yzambart, Gilles; Fabre, Bruno; Roisnel, Thierry; Dorcet, Vincent; Ababou-Girard, Soraya; Meriadec, Cristelle; Lorcy, Dominique","Assembly of Platinum Diimine Dithiolate Complexes onto Hydrogen-Terminated Silicon Surfaces","Organometallics","2014","33","18","4766","","10.1021/om5000369","","x-ray","0.71073","MoKα","","0.0259","0.0212","","","0.0467","0.0487","","","","","","1.043","","","","has coordinates,has disorder","178722","2020-10-21","18:00:00",""
"4083311","12.199","0.002","13.993","0.003","14.587","0.003","90","","90","","90","","2490","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Cl3 N P Si -","- C24 H27 Cl3 N P Si -","- C96 H108 Cl12 N4 P4 Si4 -","4","1","","Wang, Jinjin; Liu, Rui; Ruan, Wenqing; Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping","N‒P Bond Cleavage Induced Ring Formation of Cyclosilazanes from Reactions of Aryl(phosphanyl)aminotrichlorosilanes with Lithium Alkynyls","Organometallics","2014","33","11","2696","","10.1021/om401095n","","","0.71073","MoKα","","0.0318","0.0313","","","0.076","0.0763","","","","","","1.157","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083312","20.9911","0.0002","19.1749","0.0002","21.725","0.0002","90","","90","","90","","8744.36","0.15","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Li N O3 Si -","- C48 H56 Li N O3 Si -","- C384 H448 Li8 N8 O24 Si8 -","8","1","","Wang, Jinjin; Liu, Rui; Ruan, Wenqing; Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping","N‒P Bond Cleavage Induced Ring Formation of Cyclosilazanes from Reactions of Aryl(phosphanyl)aminotrichlorosilanes with Lithium Alkynyls","Organometallics","2014","33","11","2696","","10.1021/om401095n","","","1.54178","CuKα","","0.0413","0.037","","","0.1","0.1049","","","","","","1.001","","","","has coordinates,has disorder","178722","2020-10-21","18:00:00",""
"4083313","24.046","0.003","19.8028","0.0016","21.458","0.003","90","","108.792","0.014","90","","9673","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H54 N2 Si2 -","- C56 H54 N2 Si2 -","- C448 H432 N16 Si16 -","8","1","","Wang, Jinjin; Liu, Rui; Ruan, Wenqing; Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping","N‒P Bond Cleavage Induced Ring Formation of Cyclosilazanes from Reactions of Aryl(phosphanyl)aminotrichlorosilanes with Lithium Alkynyls","Organometallics","2014","33","11","2696","","10.1021/om401095n","","","0.71073","MoKα","","0.1012","0.0592","","","0.1236","0.139","","","","","","1.016","","","","has coordinates,has disorder","178722","2020-10-21","18:00:00",""
"4083314","10.662","0.002","11.188","0.002","11.882","0.002","114.79","0.03","92.59","0.03","114.44","0.03","1129.7","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H70 N2 Si2 -","- C48 H70 N2 Si2 -","- C48 H70 N2 Si2 -","1","0.5","","Wang, Jinjin; Liu, Rui; Ruan, Wenqing; Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping","N‒P Bond Cleavage Induced Ring Formation of Cyclosilazanes from Reactions of Aryl(phosphanyl)aminotrichlorosilanes with Lithium Alkynyls","Organometallics","2014","33","11","2696","","10.1021/om401095n","","","0.71073","MoKα","","0.1735","0.0694","","","0.149","0.2156","","","","","","1.217","","","","has coordinates,has disorder","178722","2020-10-21","18:00:00",""
"4083315","12.609","0.003","13.585","0.003","16.459","0.003","79.92","0.03","82.41","0.03","86.82","0.03","2750","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H70 N2 Si2 -","- C64 H70 N2 Si2 -","- C128 H140 N4 Si4 -","2","1","","Wang, Jinjin; Liu, Rui; Ruan, Wenqing; Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping","N‒P Bond Cleavage Induced Ring Formation of Cyclosilazanes from Reactions of Aryl(phosphanyl)aminotrichlorosilanes with Lithium Alkynyls","Organometallics","2014","33","11","2696","","10.1021/om401095n","","","0.71073","MoKα","","0.104","0.066","","","0.1856","0.2365","","","","","","1.156","","","","has coordinates,has disorder","178722","2020-10-21","18:00:00",""
"4083316","16.9408","0.0008","20.0828","0.001","20.385","0.0009","90","","90","","90","","6935.4","0.6","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C77 H67 N3 O2 Si3 -","- C77 H67 N3 O2 Si3 -","- C308 H268 N12 O8 Si12 -","4","1","","Wang, Jinjin; Liu, Rui; Ruan, Wenqing; Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping","N‒P Bond Cleavage Induced Ring Formation of Cyclosilazanes from Reactions of Aryl(phosphanyl)aminotrichlorosilanes with Lithium Alkynyls","Organometallics","2014","33","11","2696","","10.1021/om401095n","","","0.71073","MoKα","","0.1207","0.0893","","","0.2088","0.224","","","","","","1.222","","","","has coordinates,has disorder","178722","2020-10-21","18:00:00",""
"4083317","13.17","0.003","15.412","0.003","38.325","0.008","90","","99.51","0.03","90","","7672","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H101 Li2 N3 O5 Si2 -","- C86 H101 Li2 N3 O5 Si2 -","- C344 H404 Li8 N12 O20 Si8 -","4","1","","Wang, Jinjin; Liu, Rui; Ruan, Wenqing; Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping","N‒P Bond Cleavage Induced Ring Formation of Cyclosilazanes from Reactions of Aryl(phosphanyl)aminotrichlorosilanes with Lithium Alkynyls","Organometallics","2014","33","11","2696","","10.1021/om401095n","","","0.71073","MoKα","","0.1311","0.076","","","0.1805","0.2034","","","","","","1.079","","","","has coordinates,has disorder","178722","2020-10-21","18:00:00",""
"4083318","9.7248","0.0002","11.3667","0.0003","13.0557","0.0004","90","","96.074","0.002","90","","1435.06","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 Cl4 N2 Si2 -","- C24 H34 Cl4 N2 Si2 -","- C48 H68 Cl8 N4 Si4 -","2","0.5","","Wang, Jinjin; Liu, Rui; Ruan, Wenqing; Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping","N‒P Bond Cleavage Induced Ring Formation of Cyclosilazanes from Reactions of Aryl(phosphanyl)aminotrichlorosilanes with Lithium Alkynyls","Organometallics","2014","33","11","2696","","10.1021/om401095n","","","0.71073","MoKα","","0.0352","0.0296","","","0.0754","0.0778","","","","","","1.054","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083335","13.426","0.0002","18.7561","0.0003","22.6164","0.0003","90","","90","","90","","5695.25","0.15","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H34 Cl3 N3 Pd -","- C28 H34 Cl3 N3 Pd -","- C224 H272 Cl24 N24 Pd8 -","8","1","","Dunsford, Jay J.; Cavell, Kingsley J.","Pd‒PEPPSI-Type Expanded Ring N-Heterocyclic Carbene Complexes: Synthesis, Characterization, and Catalytic Activity in Suzuki‒Miyaura Cross Coupling","Organometallics","2014","33","11","2902","","10.1021/om5003107","","","0.7107","MoKα","","0.0546","0.0353","","","","0.077","","","","","","1.1052","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083336","8.239","0.0003","11.7585","0.0003","16.6772","0.0008","89.667","0.003","84.171","0.003","71.431","0.003","1523.03","0.1","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cl5 N3 Pd -","- C28 H32 Cl5 N3 Pd -","- C56 H64 Cl10 N6 Pd2 -","2","1","","Dunsford, Jay J.; Cavell, Kingsley J.","Pd‒PEPPSI-Type Expanded Ring N-Heterocyclic Carbene Complexes: Synthesis, Characterization, and Catalytic Activity in Suzuki‒Miyaura Cross Coupling","Organometallics","2014","33","11","2902","","10.1021/om5003107","","","0.7107","MoKα","","0.0434","0.0337","","","","0.0827","","","","","","1.0482","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083337","9.4229","0.0002","25.4721","0.0007","23.9558","0.0007","90","","101.177","0.001","90","","5640.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H55 N2 O4 P2 Rh -","- C56 H55 N2 O4 P2 Rh -","- C224 H220 N8 O16 P8 Rh4 -","4","1","","Annibale, Vincent T.; Song, Datong","Reaction of Dinuclear Rhodium 4,5-Diazafluorenyl-9-Carboxylate Complexes with H2and CO2","Organometallics","2014","33","11","2776","","10.1021/om500278a","","","0.71073","MoKα","","0.0981","0.0616","","","0.1414","0.1517","","","","","","1.04","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083338","11.4599","0.0007","15.4442","0.001","21.9188","0.0012","75.822","0.003","84.103","0.003","79.322","0.003","3689.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H78 N2 O3 P4 Rh2 -","- C88 H78 N2 O3 P4 Rh2 -","- C176 H156 N4 O6 P8 Rh4 -","2","1","","Annibale, Vincent T.; Song, Datong","Reaction of Dinuclear Rhodium 4,5-Diazafluorenyl-9-Carboxylate Complexes with H2and CO2","Organometallics","2014","33","11","2776","","10.1021/om500278a","","","0.71073","MoKα","","0.0885","0.0454","","","0.0838","0.097","","","","","","1.007","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083339","15.0428","0.0006","15.4311","0.0005","17.7863","0.0006","74.982","0.002","78.3","0.002","62.386","0.002","3516.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H68 N2 O2 P4 Rh2 -","- C84 H68 N2 O2 P4 Rh2 -","- C168 H136 N4 O4 P8 Rh4 -","2","1","","Annibale, Vincent T.; Song, Datong","Reaction of Dinuclear Rhodium 4,5-Diazafluorenyl-9-Carboxylate Complexes with H2and CO2","Organometallics","2014","33","11","2776","","10.1021/om500278a","","","0.71073","MoKα","","0.0497","0.0337","","","0.0735","0.078","","","","","","1.041","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083340","13.6603","0.0017","13.7471","0.0017","18.604","0.002","97.543","0.002","99.629","0.002","93.96","0.003","3399.8","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H43 F3 N2 O4 S Zr -","- C36 H43 F3 N2 O4 S Zr -","- C144 H172 F12 N8 O16 S4 Zr4 -","4","2","","Mindiola, Daniel J.; Watson, Lori A.; Meyer, Karsten; Hillhouse, Gregory L.","Functionalization of Complexed N2O in Bis(pentamethylcyclopentadienyl) Systems of Zirconium and Titanium.","Organometallics","2014","33","11","2760","2769","10.1021/om5002556","","","0.71073","MoKα","","0.0657","0.054","","","0.1294","0.1342","","","","","","0.987","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083341","13.0606","0.0012","13.7599","0.0013","15.8547","0.0015","97.746","0.002","104.352","0.002","91.05","0.003","2731.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H84 K N4 O8 Ti -","- C56 H84 K N4 O8 Ti -","- C112 H168 K2 N8 O16 Ti2 -","2","1","","Mindiola, Daniel J.; Watson, Lori A.; Meyer, Karsten; Hillhouse, Gregory L.","Functionalization of Complexed N2O in Bis(pentamethylcyclopentadienyl) Systems of Zirconium and Titanium.","Organometallics","2014","33","11","2760","2769","10.1021/om5002556","","","0.71073","MoKα","","0.0877","0.0726","","","0.1776","0.1842","","","","","","1.058","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083342","9.9259","0.0009","13.1748","0.0012","13.6486","0.0012","88.03","0.002","71.853","0.002","80.802","0.002","1674","0.3","373","2","373","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 F3 N2 O4 S Ti -","- C36 H40 F3 N2 O4 S Ti -","- C72 H80 F6 N4 O8 S2 Ti2 -","2","1","","Mindiola, Daniel J.; Watson, Lori A.; Meyer, Karsten; Hillhouse, Gregory L.","Functionalization of Complexed N2O in Bis(pentamethylcyclopentadienyl) Systems of Zirconium and Titanium.","Organometallics","2014","33","11","2760","2769","10.1021/om5002556","","","0.71073","MoKα","","0.0838","0.0602","","","0.1485","0.1581","","","","","","1.026","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083343","10.4751","0.0003","19.617","0.0006","10.2855","0.0004","90","","108.739","0.002","90","","2001.53","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Cl Ir N3 -","- C21 H29 Cl Ir N3 -","- C84 H116 Cl4 Ir4 N12 -","4","1","","Jansen, Eveline; Lutz, Martin; Bruin, Bas de; Elsevier, Cornelis J.","Charge-Delocalized κ2C,N-NHC-Amine Complexes of Rhodium, Iridium, and Ruthenium","Organometallics","2014","33","11","2853","","10.1021/om5003599","","","0.71073","MoKα","","0.0154","0.0134","","","0.0287","0.0291","","","","","","1.075","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083344","10.3576","0.0005","19.6165","0.0009","10.2949","0.0005","90","","108.715","0.0009","90","","1981.12","0.16","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 Cl N3 Rh -","- C21 H29 Cl N3 Rh -","- C84 H116 Cl4 N12 Rh4 -","4","1","","Jansen, Eveline; Lutz, Martin; Bruin, Bas de; Elsevier, Cornelis J.","Charge-Delocalized κ2C,N-NHC-Amine Complexes of Rhodium, Iridium, and Ruthenium","Organometallics","2014","33","11","2853","","10.1021/om5003599","","","0.71073","MoKα","","0.0192","0.0163","","","0.0401","0.042","","","","","","1.07","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083345","14.6524","0.0003","15.6351","0.0002","15.7371","0.0002","72.473","0.001","76.223","0.001","69.686","0.001","3187.87","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H82 Cl3 F6 N12 O2 P Ru2 -","- C60 H82 Cl3 F6 N12 O2 P Ru2 -","- C120 H164 Cl6 F12 N24 O4 P2 Ru4 -","2","1","","Jansen, Eveline; Lutz, Martin; Bruin, Bas de; Elsevier, Cornelis J.","Charge-Delocalized κ2C,N-NHC-Amine Complexes of Rhodium, Iridium, and Ruthenium","Organometallics","2014","33","11","2853","","10.1021/om5003599","","","0.71073","MoKα","","0.0386","0.0306","","","0.0774","0.0814","","","","","","1.03","","","","has coordinates,has disorder","178722","2020-10-21","18:00:00",""
"4083346","11.9742","0.0002","16.6795","0.0004","18.842","0.0005","90","","90","","90","","3763.19","0.15","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 F12 K2 N2 O10 -","- C28 H44 F12 K2 N2 O10 -","- C112 H176 F48 K8 N8 O40 -","4","1","","Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity","Organometallics","2014","33","20","5630","","10.1021/om500343w","","x-ray","0.71073","MoKα","","0.0461","0.0387","","","0.0876","0.0919","","","","","","1.027","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083347","16.653","0.0005","14.6331","0.0004","24.9527","0.0005","90","","102.877","0.001","90","","5927.7","0.3","150","2","150","2","","","","","","","synthesis as described","8","P 1 21 1","P 2yb","4","","","","- C101 H54 B4 Ca2 Cl10 F72 N4 O10 -","- C101 H52 B4 Ca2 Cl10 F72 N4 O10 -","- C202 H104 B8 Ca4 Cl20 F144 N8 O20 -","2","1","","Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity","Organometallics","2014","33","20","5630","","10.1021/om500343w","","x-ray","0.71073","MoKα","","0.1267","0.0622","","","0.1161","0.1435","","","","","","1.015","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083348","6.3333","0.0007","9.64","0.0012","13.186","0.0014","76.042","0.005","79.886","0.005","73.457","0.005","743.97","0.15","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H19 F6 N O4 -","- C12 H19 F6 N O4 -","- C24 H38 F12 N2 O8 -","2","1","","Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity","Organometallics","2014","33","20","5630","","10.1021/om500343w","","x-ray","0.71073","MoKα","","0.0892","0.0511","","","0.1273","0.1446","","","","","","0.997","","","","has coordinates,has disorder","178722","2020-10-21","18:00:00",""
"4083349","14.6999","0.0005","19.6002","0.0007","22.2622","0.0009","71.667","0.002","77.875","0.002","75.409","0.002","5832.2","0.4","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C101 H54 B4 Cl10 F72 N4 O8 -","- C101 H54 B4 Cl10 F72 N4 O8 -","- C202 H108 B8 Cl20 F144 N8 O16 -","2","1","","Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity","Organometallics","2014","33","20","5630","","10.1021/om500343w","","x-ray","0.71073","MoKα","","0.1481","0.0716","","","0.177","0.2116","","","","","","1.039","","","","has coordinates,has disorder","178722","2020-10-21","18:00:00",""
"4083350","11.1311","0.0007","11.1349","0.0008","13.6455","0.0007","90","","110.337","0.002","90","","1585.85","0.17","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 F12 K2 N2 O8 -","- C24 H36 F12 K2 N2 O8 -","- C48 H72 F24 K4 N4 O16 -","2","0.5","","Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity","Organometallics","2014","33","20","5630","","10.1021/om500343w","","x-ray","0.71073","MoKα","","0.0752","0.0448","","","0.1023","0.1209","","","","","","1.055","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083351","10.5765","0.0009","10.9923","0.0011","11.9713","0.0012","69.105","0.004","76.54","0.004","62.713","0.003","1151.54","0.19","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C28 H60 Ca2 F12 N4 O6 Si4 -","- C28 H60 Ca2 F12 N4 O6 Si4 -","- C28 H60 Ca2 F12 N4 O6 Si4 -","1","0.5","","Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity","Organometallics","2014","33","20","5630","","10.1021/om500343w","","x-ray","0.71073","MoKα","","0.0506","0.0345","","","0.074","0.08","","","","","","1.03","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083352","10.8367","0.0003","12.5531","0.0004","12.5724","0.0004","108.346","0.002","108.946","0.002","105.913","0.002","1393.96","0.09","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C32 H68 Ca2 F12 N4 O6 Si4 -","- C32 H68 Ca2 F12 N4 O6 Si4 -","- C32 H68 Ca2 F12 N4 O6 Si4 -","1","0.5","","Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity","Organometallics","2014","33","20","5630","","10.1021/om500343w","","x-ray","0.71073","MoKα","","0.047","0.0389","","","0.1125","0.1179","","","","","","1.049","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083353","37.885","0.006","14.072","0.002","24.769","0.004","90","","120.074","0.005","90","","11427","3","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H24 B2 Cl4 F36 N2 O3 -","- C48 H24 B2 Cl4 F36 N2 O3 -","- C384 H192 B16 Cl32 F288 N16 O24 -","8","1","","Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity","Organometallics","2014","33","20","5630","","10.1021/om500343w","","x-ray","0.71073","MoKα","","0.1217","0.0788","","","0.2136","0.2324","","","","","","1.053","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083354","11.8672","0.0013","12.221","0.0014","22.468","0.003","90.211","0.005","94.543","0.006","112.113","0.005","3007.4","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C40 H64 F24 K4 N4 O12 -","- C40 H64 F24 K4 N4 O12 -","- C80 H128 F48 K8 N8 O24 -","2","1","","Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity","Organometallics","2014","33","20","5630","","10.1021/om500343w","","x-ray","0.71073","MoKα","","0.0592","0.0412","","","0.1","0.11","","","","","","1.025","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083355","9.1166","0.0004","10.2197","0.0004","12.6564","0.0006","79.221","0.002","89.078","0.002","67.03","0.002","1064.42","0.08","","","","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C24 H52 Ca2 F12 N4 O4 Si4 -","- C24 H52 Ca2 F12 N4 O4 Si4 -","- C24 H52 Ca2 F12 N4 O4 Si4 -","1","0.5","","Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity","Organometallics","2014","33","20","5630","","10.1021/om500343w","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083356","11.338","0.0009","11.5183","0.0009","21.7152","0.0018","90","","97.874","0.004","90","","2809.1","0.4","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C40 H72 Ca2 F12 N4 O4 Si4 -","- C40 H72 Ca2 F12 N4 O4 Si4 -","- C80 H144 Ca4 F24 N8 O8 Si8 -","2","1","","Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity","Organometallics","2014","33","20","5630","","10.1021/om500343w","","x-ray","0.71073","MoKα","","0.1564","0.1012","","","0.2309","0.2721","","","","","","1.09","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083357","19.9131","0.0008","16.5262","0.0007","28.8817","0.0011","90","","98.104","0.001","90","","9409.7","0.7","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H15 B2 F36 N2 O2 -","- C44 H15 B2 F36 N2 O2 -","- C352 H120 B16 F288 N16 O16 -","8","2","","Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity","Organometallics","2014","33","20","5630","","10.1021/om500343w","","x-ray","0.71073","MoKα","","0.1635","0.1266","","","0.3317","0.3596","","","","","","1.275","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083358","11.5856","0.0006","21.3415","0.0012","22.022","0.0012","107.572","0.002","99.172","0.003","90.251","0.002","5116.6","0.5","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C32 H48 F24 K4 N4 O8 -","- C32 H48 F24 K4 N4 O8 -","- C128 H192 F96 K16 N16 O32 -","4","2","","Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity","Organometallics","2014","33","20","5630","","10.1021/om500343w","","x-ray","0.71073","MoKα","","0.1563","0.1068","","","0.2883","0.3144","","","","","","1.072","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083359","12.346","0.0017","9.6936","0.0014","24.074","0.003","90","","94.461","0.002","90","","2872.4","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bicorannulenyl-bis(tetrakis(tetrahydrofuran)-lithium)","","- C72 H82 Li2 O8 -","- C72 H82 Li2 O8 -","- C144 H164 Li4 O16 -","2","0.5","","Sumner, Natalie J.; Spisak, Sarah N.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Zabula, Alexander V.; Petrukhina, Marina A.","Double-Concave Binding of Bicorannulenyl Dianion: Cesium vs Lithium Salts","Organometallics","2014","33","11","2874","","10.1021/om500396m","","","0.71073","Mo-Kα","","0.0954","0.0661","","","0.1236","0.1383","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083360","9.7188","0.0009","18.366","0.0016","21.6364","0.0019","69.988","0.001","86.213","0.001","87.62","0.001","3620.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","bicorannulenyl-bis((18-crown-6-ether)-cesium) tetrahydrofuran solvate","","- C64 H64 Cs2 O12 -","- C64 H64 Cs2 O12 -","- C128 H128 Cs4 O24 -","2","1","","Sumner, Natalie J.; Spisak, Sarah N.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Zabula, Alexander V.; Petrukhina, Marina A.","Double-Concave Binding of Bicorannulenyl Dianion: Cesium vs Lithium Salts","Organometallics","2014","33","11","2874","","10.1021/om500396m","","","0.71073","Mo-Kα","","0.051","0.0346","","","0.079","0.0824","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083361","14.1065","0.0009","14.2546","0.0009","14.9963","0.001","82.449","0.002","82.068","0.002","86.263","0.002","2957.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H28 Fe N4 -","- C45 H28 Fe N4 -","- C180 H112 Fe4 N16 -","4","2","","González, Mar\?ía del Carmen; Otón, Francisco; Orenes, Raúl A.; Espinosa, Arturo; Tárraga, Alberto; Molina, Pedro","Ferrocene‒Triazole‒Pyrene Triads as Multichannel Heteroditopic Recognition Receptors for Anions, Cations and Ion Pairs","Organometallics","2014","33","11","2837","","10.1021/om500358c","","","0.71073","MoKα","","0.1154","0.0539","","","0.0965","0.1131","","","","","","1.017","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083362","7.0939","0.0005","12.2705","0.0008","19.1313","0.0013","74.721","0.002","86.629","0.002","80.211","0.002","1582.88","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H24 Cl2 Fe N4 O3 -","- C39 H24 Cl2 Fe N4 O3 -","- C78 H48 Cl4 Fe2 N8 O6 -","2","1","","González, Mar\?ía del Carmen; Otón, Francisco; Orenes, Raúl A.; Espinosa, Arturo; Tárraga, Alberto; Molina, Pedro","Ferrocene‒Triazole‒Pyrene Triads as Multichannel Heteroditopic Recognition Receptors for Anions, Cations and Ion Pairs","Organometallics","2014","33","11","2837","","10.1021/om500358c","","","0.71073","MoKα","","0.1461","0.0928","","","0.2461","0.2726","","","","","","1.084","","","","has coordinates,has disorder","178722","2020-10-21","18:00:00",""
"4083363","11.3588","0.0003","9.8012","0.0003","14.7843","0.0004","90","","93.468","0.001","90","","1642.92","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 B Cl3 Fe N -","- C14 H19 B Cl3 Fe N -","- C56 H76 B4 Cl12 Fe4 N4 -","4","1","","Bentivegna, BriAnne; Mariani, Christine I.; Smith, Jason R.; Ma, Shuhua; Rheingold, Arnold L.; Brunker, Tim J.","Formation, Stability, and Structures of Borenium and Boronium Cations Derived from Pentamethylazaferrocene‒Boranes by Hydride or Chloride Abstraction Reactions","Organometallics","2014","33","11","2820","","10.1021/om500348u","","","0.71073","MoKα","","0.0219","0.0199","","","0.0494","0.0506","","","","","","1.057","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083364","15.9109","0.0007","12.9151","0.0006","19.9824","0.0009","90","","100.639","0.001","90","","4035.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 B Fe N -","- C22 H34 B Fe N -","- C176 H272 B8 Fe8 N8 -","8","2","","Bentivegna, BriAnne; Mariani, Christine I.; Smith, Jason R.; Ma, Shuhua; Rheingold, Arnold L.; Brunker, Tim J.","Formation, Stability, and Structures of Borenium and Boronium Cations Derived from Pentamethylazaferrocene‒Boranes by Hydride or Chloride Abstraction Reactions","Organometallics","2014","33","11","2820","","10.1021/om500348u","","","0.71073","MoKα","","0.0699","0.0522","","","0.0983","0.1042","","","","","","1.138","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083365","13.2305","0.0008","13.6723","0.0008","16.9454","0.0016","99.103","0.001","90.705","0.001","118.866","0.001","2636.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H42 B2 Cl2 F20 Fe2 N2 -","- C52 H40 B2 F20 Fe2 N2 -","- C104 H80 B4 F40 Fe4 N4 -","2","1","","Bentivegna, BriAnne; Mariani, Christine I.; Smith, Jason R.; Ma, Shuhua; Rheingold, Arnold L.; Brunker, Tim J.","Formation, Stability, and Structures of Borenium and Boronium Cations Derived from Pentamethylazaferrocene‒Boranes by Hydride or Chloride Abstraction Reactions","Organometallics","2014","33","11","2820","","10.1021/om500348u","","","0.71073","MoKα","","0.0364","0.0323","","","0.0838","0.0857","","","","","","1.069","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083366","14.22","0.002","15.099","0.003","17.019","0.003","78.609","0.007","86.314","0.007","80.109","0.007","3527.1","1.1","73","2","73","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H20 B F20 Fe N -","- C38 H20 B F20 Fe N -","- C152 H80 B4 F80 Fe4 N4 -","4","2","","Bentivegna, BriAnne; Mariani, Christine I.; Smith, Jason R.; Ma, Shuhua; Rheingold, Arnold L.; Brunker, Tim J.","Formation, Stability, and Structures of Borenium and Boronium Cations Derived from Pentamethylazaferrocene‒Boranes by Hydride or Chloride Abstraction Reactions","Organometallics","2014","33","11","2820","","10.1021/om500348u","","","0.71073","MoKα","","0.0805","0.0475","","","0.1025","0.1195","","","","","","1.011","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083367","14.9581","0.0007","33.58","0.002","15.7372","0.0007","90","","90.044","0.002","90","","7904.7","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40.25 H26.5 B2 Cl0.5 F20 N4 -","- C40.25 H26.5 B2 Cl0.5 F20 N4 -","- C322 H212 B16 Cl4 F160 N32 -","8","4","","Bentivegna, BriAnne; Mariani, Christine I.; Smith, Jason R.; Ma, Shuhua; Rheingold, Arnold L.; Brunker, Tim J.","Formation, Stability, and Structures of Borenium and Boronium Cations Derived from Pentamethylazaferrocene‒Boranes by Hydride or Chloride Abstraction Reactions","Organometallics","2014","33","11","2820","","10.1021/om500348u","","","0.71073","MoKα","","0.0823","0.0521","","","0.1241","0.1404","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083368","28.3175","0.0013","11.8369","0.0006","12.9987","0.0006","90","","90","","90","","4357.1","0.4","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H18 Al B Cl6 Fe N -","- C14 H18 Al B Cl6 Fe N -","- C112 H144 Al8 B8 Cl48 Fe8 N8 -","8","1","","Bentivegna, BriAnne; Mariani, Christine I.; Smith, Jason R.; Ma, Shuhua; Rheingold, Arnold L.; Brunker, Tim J.","Formation, Stability, and Structures of Borenium and Boronium Cations Derived from Pentamethylazaferrocene‒Boranes by Hydride or Chloride Abstraction Reactions","Organometallics","2014","33","11","2820","","10.1021/om500348u","","","0.71073","MoKα","","0.066","0.0549","","","0.1507","0.1601","","","","","","1.042","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083369","8.3412","0.0017","11.045","0.002","12.147","0.002","69.11","0.03","78.09","0.03","83.1","0.03","1021.7","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Al Fe2 O6 S2 -","- C16 H15 Al Fe2 O6 S2 -","- C32 H30 Al2 Fe4 O12 S4 -","2","1","","Ogienko, Mikhail A.; Pushkarevsky, Nikolay A.; Smolentsev, Anton I.; Nadolinny, Vladimir A.; Ketkov, Sergey Yu.; Konchenko, Sergey N.","Metal- and Ligand-Supported Reduction of the {Fe2S2} Cluster as a Path to Formation of Molecular Group 13 Element Complexes {Fe2S2M} (M = Al, Ga)","Organometallics","2014","33","11","2713","","10.1021/om401237x","","","0.71073","MoKα","","0.0429","0.035","","","0.0882","0.0911","","","","","","1.002","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083370","8.5155","0.0017","11.299","0.002","11.711","0.002","70.08","0.03","81.83","0.03","89.08","0.03","1048","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Fe2 Ga O6 S2 -","- C16 H15 Fe2 Ga O6 S2 -","- C32 H30 Fe4 Ga2 O12 S4 -","2","1","","Ogienko, Mikhail A.; Pushkarevsky, Nikolay A.; Smolentsev, Anton I.; Nadolinny, Vladimir A.; Ketkov, Sergey Yu.; Konchenko, Sergey N.","Metal- and Ligand-Supported Reduction of the {Fe2S2} Cluster as a Path to Formation of Molecular Group 13 Element Complexes {Fe2S2M} (M = Al, Ga)","Organometallics","2014","33","11","2713","","10.1021/om401237x","","","0.71073","MoKα","","0.0379","0.0309","","","0.0785","0.0942","","","","","","1.09","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083371","19.4275","0.0007","15.3275","0.0006","14.4963","0.0005","90","","105.639","0.001","90","","4156.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 Fe2 Ga N2 O6 S2 -","- C42 H40 Fe2 Ga N2 O6 S2 -","- C168 H160 Fe8 Ga4 N8 O24 S8 -","4","1","","Ogienko, Mikhail A.; Pushkarevsky, Nikolay A.; Smolentsev, Anton I.; Nadolinny, Vladimir A.; Ketkov, Sergey Yu.; Konchenko, Sergey N.","Metal- and Ligand-Supported Reduction of the {Fe2S2} Cluster as a Path to Formation of Molecular Group 13 Element Complexes {Fe2S2M} (M = Al, Ga)","Organometallics","2014","33","11","2713","","10.1021/om401237x","","","0.71073","MoKα","","0.0616","0.0497","","","0.1254","0.1283","","","","","","1.206","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083372","11.573","0.006","8.563","0.003","19.512","0.008","90","","104.6","0.03","90","","1871.2","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Cl8 D12 N4 O2 Pd2 -","- C30 H18 Cl8 D12 N4 O2 Pd2 -","- C60 H36 Cl16 D24 N8 O4 Pd4 -","2","0.5","","Albert, Joan; Bosque, Ramon; Cadena, Magali; D’Andrea, Lucía; Granell, Jaume; González, Asensio; Quirante, Josefina; Calvis, Carmen; Messeguer, Ramon; Badía, Josefa; Baldomà, Laura; Calvet, Teresa; Font-Bardia, Mercè","A New Family of Doubly Cyclopalladated Diimines. A Remarkable Effect of the Linker between the Metalated Units on Their Cytotoxicity","Organometallics","2014","33","11","2862","","10.1021/om500382f","","","0.71073","MoKα","","0.1075","0.0672","","","0.1571","0.1752","","","","","","1.174","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083373","10.174","0.005","13.126","0.006","13.579","0.005","85.66","0.03","83.29","0.02","67.85","0.03","1667.1","1.3","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H42 Cl16 D4 N2 P2 Pd2 -","- C56 H42 Cl16 D4 N2 P2 Pd2 -","- C56 H42 Cl16 D4 N2 P2 Pd2 -","1","0.5","","Albert, Joan; Bosque, Ramon; Cadena, Magali; D’Andrea, Lucía; Granell, Jaume; González, Asensio; Quirante, Josefina; Calvis, Carmen; Messeguer, Ramon; Badía, Josefa; Baldomà, Laura; Calvet, Teresa; Font-Bardia, Mercè","A New Family of Doubly Cyclopalladated Diimines. A Remarkable Effect of the Linker between the Metalated Units on Their Cytotoxicity","Organometallics","2014","33","11","2862","","10.1021/om500382f","","","0.71073","MoKα","","0.0465","0.0458","","","0.1105","0.1108","","","","","","1.257","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083374","11.279","0.005","17.485","0.005","20.611","0.007","90","","92.57","0.02","90","","4061","3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H12 Cl13 D13 N4 Pd2 -","- C29 H12 Cl13 D13 N4 Pd2 -","- C116 H48 Cl52 D52 N16 Pd8 -","4","1","","Albert, Joan; Bosque, Ramon; Cadena, Magali; D’Andrea, Lucía; Granell, Jaume; González, Asensio; Quirante, Josefina; Calvis, Carmen; Messeguer, Ramon; Badía, Josefa; Baldomà, Laura; Calvet, Teresa; Font-Bardia, Mercè","A New Family of Doubly Cyclopalladated Diimines. A Remarkable Effect of the Linker between the Metalated Units on Their Cytotoxicity","Organometallics","2014","33","11","2862","","10.1021/om500382f","","","0.71073","MoKα","","0.0365","0.0339","","","0.0905","0.0916","","","","","","1.089","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083401","10.924","0.002","17.93","0.004","22.879","0.005","90","","99.8","0.03","90","","4415.9","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H51 N4 Si Y -","- C50 H51 N4 Si Y -","- C200 H204 N16 Si4 Y4 -","4","1","","Wei, Peng-Hui; Xu, Ling; Song, Li-Cheng; Zhang, Wen-Xiong; Xi, Zhenfeng","Cyclopentadienyl-Like Ligand as a Reactive Site in Half-Sandwich Bis(amidinato) Rare-Earth-Metal Complexes: An Efficient Application in Catalytic Addition of Amines to Carbodiimides","Organometallics","2014","33","11","2784","","10.1021/om5002793","","","0.71073","MoKα","","0.0765","0.0625","","","0.1155","0.1214","","","","","","1.143","","","","has coordinates,has disorder","178723","2020-10-21","18:00:00",""
"4083402","13.935","0.003","15.353","0.003","24.363","0.005","90","","99.06","0.03","90","","5147.3","1.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H66 N4 Si Y -","- C57 H66 N4 Si Y -","- C228 H264 N16 Si4 Y4 -","4","1","","Wei, Peng-Hui; Xu, Ling; Song, Li-Cheng; Zhang, Wen-Xiong; Xi, Zhenfeng","Cyclopentadienyl-Like Ligand as a Reactive Site in Half-Sandwich Bis(amidinato) Rare-Earth-Metal Complexes: An Efficient Application in Catalytic Addition of Amines to Carbodiimides","Organometallics","2014","33","11","2784","","10.1021/om5002793","","","0.71073","MoKα","","0.1052","0.0855","","","0.1469","0.1548","","","","","","1.225","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083403","10.87","0.002","17.823","0.004","22.817","0.005","90","","99.78","0.03","90","","4356.2","1.6","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H51 Dy N4 Si -","- C50 H51 Dy N4 Si -","- C200 H204 Dy4 N16 Si4 -","4","1","","Wei, Peng-Hui; Xu, Ling; Song, Li-Cheng; Zhang, Wen-Xiong; Xi, Zhenfeng","Cyclopentadienyl-Like Ligand as a Reactive Site in Half-Sandwich Bis(amidinato) Rare-Earth-Metal Complexes: An Efficient Application in Catalytic Addition of Amines to Carbodiimides","Organometallics","2014","33","11","2784","","10.1021/om5002793","","","0.71073","MoKα","","0.0279","0.0212","","","0.0466","0.0496","","","","","","1.034","","","","has coordinates,has disorder","178723","2020-10-21","18:00:00",""
"4083404","10.9219","0.0003","17.7418","0.0006","22.7547","0.0006","90","","97.969","0.002","90","","4366.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H51 Er N4 Si -","- C50 H51 Er N4 Si -","- C200 H204 Er4 N16 Si4 -","4","1","","Wei, Peng-Hui; Xu, Ling; Song, Li-Cheng; Zhang, Wen-Xiong; Xi, Zhenfeng","Cyclopentadienyl-Like Ligand as a Reactive Site in Half-Sandwich Bis(amidinato) Rare-Earth-Metal Complexes: An Efficient Application in Catalytic Addition of Amines to Carbodiimides","Organometallics","2014","33","11","2784","","10.1021/om5002793","","","0.71073","MoKα","","0.0487","0.0405","","","0.0907","0.0966","","","","","","1.085","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083405","10.938","0.002","17.764","0.004","22.76","0.005","90","","97.92","0.03","90","","4380.1","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H51 Lu N4 Si -","- C50 H51 Lu N4 Si -","- C200 H204 Lu4 N16 Si4 -","4","1","","Wei, Peng-Hui; Xu, Ling; Song, Li-Cheng; Zhang, Wen-Xiong; Xi, Zhenfeng","Cyclopentadienyl-Like Ligand as a Reactive Site in Half-Sandwich Bis(amidinato) Rare-Earth-Metal Complexes: An Efficient Application in Catalytic Addition of Amines to Carbodiimides","Organometallics","2014","33","11","2784","","10.1021/om5002793","","","0.71073","MoKα","","0.0456","0.0417","","","0.1022","0.1053","","","","","","1.114","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083406","14.046","0.003","15.57","0.003","24.249","0.005","90","","99.1","0.03","90","","5236.4","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H66 Lu N4 Si -","- C57 H66 Lu N4 Si -","- C228 H264 Lu4 N16 Si4 -","4","1","","Wei, Peng-Hui; Xu, Ling; Song, Li-Cheng; Zhang, Wen-Xiong; Xi, Zhenfeng","Cyclopentadienyl-Like Ligand as a Reactive Site in Half-Sandwich Bis(amidinato) Rare-Earth-Metal Complexes: An Efficient Application in Catalytic Addition of Amines to Carbodiimides","Organometallics","2014","33","11","2784","","10.1021/om5002793","","","0.71073","MoKα","","0.1964","0.0719","","","0.1084","0.1315","","","","","","1","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083407","13.5804","0.0005","26.6986","0.0014","13.1122","0.0005","90","","90.706","0.004","90","","4753.8","0.4","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H88 Lu2 N10 -","- C96 H88 Lu2 N10 -","- C192 H176 Lu4 N20 -","2","0.5","","Wei, Peng-Hui; Xu, Ling; Song, Li-Cheng; Zhang, Wen-Xiong; Xi, Zhenfeng","Cyclopentadienyl-Like Ligand as a Reactive Site in Half-Sandwich Bis(amidinato) Rare-Earth-Metal Complexes: An Efficient Application in Catalytic Addition of Amines to Carbodiimides","Organometallics","2014","33","11","2784","","10.1021/om5002793","","","0.71073","MoKα","","0.0857","0.0717","","","0.1361","0.14","","","","","","1.3","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083408","11.5361","0.0019","17.408","0.003","17.936","0.005","118.895","0.003","97.62","0.003","101.411","0.002","2979.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H52 Cl2 O10 Ru2 -","- C67.003 H52.006 Cl2.006 O10 Ru2 -","- C134.006 H104.012 Cl4.012 O20 Ru4 -","2","1","","Cesari, Cristiana; Sambri, Letizia; Zacchini, Stefano; Zanotti, Valerio; Mazzoni, Rita","Microwave-Assisted Synthesis of Functionalized Shvo-Type Complexes","Organometallics","2014","33","11","2814","","10.1021/om500335m","","","0.71073","MoKα","","0.1693","0.0726","","","0.1689","0.2177","","","","","","0.978","","","","has coordinates,has disorder","178723","2020-10-21","18:00:00",""
"4083409","27.2316","0.0018","9.6582","0.0006","20.582","0.0013","90","","100.875","0.001","90","","5316","0.6","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H38 Br4 O6 Ru2 -","- C62 H38 Br4 O6 Ru2 -","- C248 H152 Br16 O24 Ru8 -","4","0.5","","Cesari, Cristiana; Sambri, Letizia; Zacchini, Stefano; Zanotti, Valerio; Mazzoni, Rita","Microwave-Assisted Synthesis of Functionalized Shvo-Type Complexes","Organometallics","2014","33","11","2814","","10.1021/om500335m","","","0.71073","MoKα","","0.0316","0.0266","","","0.0695","0.0722","","","","","","1.025","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083410","7.8792","0.0004","8.0025","0.0003","11.2111","0.0005","108.128","0.004","90.188","0.004","112.214","0.004","616.05","0.05","172.9","0.2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 Cl2 I N2 -","- C10 H9 Cl2 I N2 -","- C20 H18 Cl4 I2 N4 -","2","1","","Stringer, Bradley D.; Quan, Linh M.; Barnard, Peter J.; Wilson, David J. D.; Hogan, Conor F.","Iridium Complexes of N-Heterocyclic Carbene Ligands: Investigation into the Energetic Requirements for Efficient Electrogenerated Chemiluminescence","Organometallics","2014","33","18","4860","","10.1021/om500076w","","","0.71073","MoKα","","0.0184","0.0177","","","0.0465","0.0468","","","","","","1.169","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083411","10.6599","0.0004","18.5135","0.0006","12.3423","0.0004","90","","109.284","0.003","90","","2299.11","0.14","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 F2 I N2 -","- C10 H9 F2 I N2 -","- C80 H72 F16 I8 N16 -","8","2","","Stringer, Bradley D.; Quan, Linh M.; Barnard, Peter J.; Wilson, David J. D.; Hogan, Conor F.","Iridium Complexes of N-Heterocyclic Carbene Ligands: Investigation into the Energetic Requirements for Efficient Electrogenerated Chemiluminescence","Organometallics","2014","33","18","4860","","10.1021/om500076w","","","0.71073","MoKα","","0.0255","0.0225","","","0.0574","0.0587","","","","","","1.16","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083412","17.1262","0.0005","17.6768","0.0005","18.0392","0.0005","90","","90","","90","","5461.1","0.3","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H29 Ir N4 -","- C34 H29 Ir N4 -","- C272 H232 Ir8 N32 -","8","1","","Stringer, Bradley D.; Quan, Linh M.; Barnard, Peter J.; Wilson, David J. D.; Hogan, Conor F.","Iridium Complexes of N-Heterocyclic Carbene Ligands: Investigation into the Energetic Requirements for Efficient Electrogenerated Chemiluminescence","Organometallics","2014","33","18","4860","","10.1021/om500076w","","","0.71073","MoKα","","0.0373","0.0232","","","0.0495","0.0577","","","","","","1.152","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083413","11.6022","0.0002","17.9761","0.0005","13.7711","0.0003","90","","91.681","0.002","90","","2870.9","0.11","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 F2 Ir N5 -","- C34 H26 F2 Ir N5 -","- C136 H104 F8 Ir4 N20 -","4","1","","Stringer, Bradley D.; Quan, Linh M.; Barnard, Peter J.; Wilson, David J. D.; Hogan, Conor F.","Iridium Complexes of N-Heterocyclic Carbene Ligands: Investigation into the Energetic Requirements for Efficient Electrogenerated Chemiluminescence","Organometallics","2014","33","18","4860","","10.1021/om500076w","","","0.71073","MoKα","","0.0289","0.0211","","","0.0466","0.0499","","","","","","1.033","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083414","11.939","0.0007","33.3485","0.0018","8.0047","0.0005","90","","101.181","0.004","90","","3126.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Cl2 N2 O3 Ru -","- C32 H38 Cl2 N2 O3 Ru -","- C128 H152 Cl8 N8 O12 Ru4 -","4","1","","Pump, Eva; Poater, Albert; Zirngast, Michaela; Torvisco, Ana; Fischer, Roland; Cavallo, Luigi; Slugovc, Christian","Impact of Electronic Modification of the Chelating Benzylidene Ligand incis-Dichloro-Configured Second-Generation Olefin Metathesis Catalysts on Their Activity","Organometallics","2014","33","11","2806","","10.1021/om500315t","","","0.71073","MoKα","","0.132","0.0926","","","0.2047","0.2221","","","","","","1.211","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083415","8.1955","0.0003","11.4563","0.0004","17.342","0.0008","101.894","0.002","100.549","0.002","105.261","0.002","1487.73","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H35 Cl2 N3 O4 Ru -","- C31 H35 Cl2 N3 O4 Ru -","- C62 H70 Cl4 N6 O8 Ru2 -","2","1","","Pump, Eva; Poater, Albert; Zirngast, Michaela; Torvisco, Ana; Fischer, Roland; Cavallo, Luigi; Slugovc, Christian","Impact of Electronic Modification of the Chelating Benzylidene Ligand incis-Dichloro-Configured Second-Generation Olefin Metathesis Catalysts on Their Activity","Organometallics","2014","33","11","2806","","10.1021/om500315t","","","0.71073","MoKα","","0.0439","0.0338","","","0.0813","0.0867","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083416","23.7001","0.0011","16.9338","0.0007","7.9974","0.0004","90","","90","","90","","3209.6","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C31 H35 Cl2 N3 O4 Ru -","- C31 H35 Cl2 N3 O4 Ru -","- C124 H140 Cl8 N12 O16 Ru4 -","4","1","","Pump, Eva; Poater, Albert; Zirngast, Michaela; Torvisco, Ana; Fischer, Roland; Cavallo, Luigi; Slugovc, Christian","Impact of Electronic Modification of the Chelating Benzylidene Ligand incis-Dichloro-Configured Second-Generation Olefin Metathesis Catalysts on Their Activity","Organometallics","2014","33","11","2806","","10.1021/om500315t","","","0.71073","MoKα","","0.0607","0.043","","","0.0855","0.092","","","","","","0.879","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083417","12.532","","13.562","","13.986","","98.35","","95.62","","93.17","","2334.7","","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H19 Cl Li O6 P Pd S2 -","- C17.5 H21 Cl Li O7 P Pd S1.5 -","- C70 H84 Cl4 Li4 O28 P4 Pd4 S6 -","4","2","","Jian, Zhongbao; Wucher, Philipp; Mecking, Stefan","Heterocycle-Substituted Phosphinesulfonato Palladium(II) Complexes for Insertion Copolymerization of Methyl Acrylate","Organometallics","2014","33","11","2879","","10.1021/om500400a","","","0.71073","MoKα","","0.0538","0.0387","","","0.0915","0.0967","","","","","","1.027","","","","has coordinates,has disorder","178723","2020-10-21","18:00:00",""
"4083418","16.533","","10.829","","16.673","","90","","116.54","","90","","2670.51","","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 Cl Li O5 P Pd S5 -","- C19 H25 Cl Li O5 P Pd S5 -","- C76 H100 Cl4 Li4 O20 P4 Pd4 S20 -","4","1","","Jian, Zhongbao; Wucher, Philipp; Mecking, Stefan","Heterocycle-Substituted Phosphinesulfonato Palladium(II) Complexes for Insertion Copolymerization of Methyl Acrylate","Organometallics","2014","33","11","2879","","10.1021/om500400a","","","0.71073","MoKα","","0.0666","0.0529","","","0.1272","0.1336","","","","","","1.08","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083419","15.326","","11.172","","15.729","","90","","112.41","","90","","2489.76","","280","2","280","2","","","","","","","","9","P 1 n 1","P -2yac","7","","","","- C38 H50 Cl2 Li2 N4 O8 P2 Pd2 S4 -","- C38 H38 Cl2 Li2 N4 O8 P2 Pd2 S4 -","- C76 H76 Cl4 Li4 N8 O16 P4 Pd4 S8 -","2","1","","Jian, Zhongbao; Wucher, Philipp; Mecking, Stefan","Heterocycle-Substituted Phosphinesulfonato Palladium(II) Complexes for Insertion Copolymerization of Methyl Acrylate","Organometallics","2014","33","11","2879","","10.1021/om500400a","","","0.71073","MoKα","","0.0876","0.0576","","","0.1424","0.1594","","","","","","0.95","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083420","10.7285","0.0007","13.8672","0.0007","16.4504","0.0011","90","","100.299","0.006","90","","2408","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl2 N O5 P Pd S -","- C21 H20 Cl2 N O5 P Pd S -","- C84 H80 Cl8 N4 O20 P4 Pd4 S4 -","4","1","","Jian, Zhongbao; Wucher, Philipp; Mecking, Stefan","Heterocycle-Substituted Phosphinesulfonato Palladium(II) Complexes for Insertion Copolymerization of Methyl Acrylate","Organometallics","2014","33","11","2879","","10.1021/om500400a","","","0.71073","MoKα","","0.0433","0.0386","","","0.085","0.0884","","","","","","1.05","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083421","27.343","0.003","24.637","0.003","18.24","0.002","90","","106.86","0.003","90","","11759","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H44 Cl O2 P3 Ru -","- C55 H44 Cl O2 P3 Ru -","- C440 H352 Cl8 O16 P24 Ru8 -","8","1","","Pingen, Dennis; Lebl, Tomas; Lutz, Martin; Nichol, Gary S.; Kamer, Paul C. J.; Vogt, Dieter","Catalytic Activity and Fluxional Behavior of Complexes Based on RuHCl(CO)(PPh3)3and Xantphos-Type Ligands","Organometallics","2014","33","11","2798","","10.1021/om5003182","","","0.71073","MoKα","","0.133","0.0473","","","0.0929","0.1074","","","","","","0.829","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083422","10.2981","0.0009","24.6265","0.0011","18.6896","0.001","90","","102.493","0.007","90","","4627.6","0.5","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H47 Cl2 O P3 Ru Si -","- C56 H47 Cl2 O P3 Ru Si -","- C224 H188 Cl8 O4 P12 Ru4 Si4 -","4","1","","Pingen, Dennis; Lebl, Tomas; Lutz, Martin; Nichol, Gary S.; Kamer, Paul C. J.; Vogt, Dieter","Catalytic Activity and Fluxional Behavior of Complexes Based on RuHCl(CO)(PPh3)3and Xantphos-Type Ligands","Organometallics","2014","33","11","2798","","10.1021/om5003182","","","1.54184","CuKα","","0.0933","0.0634","","","0.1225","0.1339","","","","","","1.101","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083423","8.8658","0.0011","8.9344","0.0012","9.3885","0.0011","107.836","0.008","90.427","0.006","93.806","0.007","706.06","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(bromodimethylstibine-Sb)dicarbonyl(cyclopentadienyl)iron(II) tetrafluoroborate","","- C9 H11 B Br F4 Fe O2 Sb -","- C9 H11 B Br F4 Fe O2 Sb -","- C18 H22 B2 Br2 F8 Fe2 O4 Sb2 -","2","1","","Benjamin, Sophie L.; Levason, William; Light, Mark E.; Reid, Gillian; Rogers, Scott M.","Bromostibine Complexes of Iron(II): Hypervalency and Reactivity","Organometallics","2014","33","11","2693","","10.1021/om500471f","","","0.71073","MoKα","","0.0288","0.0266","","","0.0663","0.0678","","","","","","1.023","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083424","10.3722","0.0006","13.6529","0.0008","11.6978","0.0007","90","","90.102","0.004","90","","1656.53","0.17","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(bromodimethylstibine)dicarbonyl(cyclopentadienyl)iron(II) trifluoromethanesulfonate","","- C10 H11 Br F3 Fe O5 S Sb -","- C10 H11 Br F3 Fe O5 S Sb -","- C40 H44 Br4 F12 Fe4 O20 S4 Sb4 -","4","1","","Benjamin, Sophie L.; Levason, William; Light, Mark E.; Reid, Gillian; Rogers, Scott M.","Bromostibine Complexes of Iron(II): Hypervalency and Reactivity","Organometallics","2014","33","11","2693","","10.1021/om500471f","","","0.71073","MoKα","K-L~2,3~","0.0755","0.0419","","","0.0945","0.104","","","","","","0.919","","","","has coordinates,has disorder","178723","2020-10-21","18:00:00",""
"4083425","7.2336","0.0012","9.4231","0.0012","25.906","0.007","90","","92.848","0.007","90","","1763.6","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis-(bromodimethylstibine-Sb)carbonyl(cyclopentadienyl)iron(II) bromide","","- C10 H17 Br3 Fe O Sb2 -","- C10 H17 Br3 Fe O Sb2 -","- C40 H68 Br12 Fe4 O4 Sb8 -","4","1","","Benjamin, Sophie L.; Levason, William; Light, Mark E.; Reid, Gillian; Rogers, Scott M.","Bromostibine Complexes of Iron(II): Hypervalency and Reactivity","Organometallics","2014","33","11","2693","","10.1021/om500471f","","","0.71073","MoKα","K-L~2,3~","0.0356","0.0266","","","0.0568","0.0618","","","","","","1.109","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083426","11.342","0.0002","11.6987","0.0003","15.0966","0.0003","106.978","0.002","94.433","0.002","101.557","0.002","1857.16","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl2 N4 O3 Ru -","- C18 H16 Cl2 N4 O3 Ru -","- C72 H64 Cl8 N16 O12 Ru4 -","4","2","","Huang, Chang-Yao; Kuan, Kai-Yuan; Liu, Yi-Hong; Peng, Shie-Ming; Liu, Shiuh-Tzung","Synthesis and Catalytic Activity of Water-Soluble Ruthenium(II) Complexes Bearing a Naphthyridine‒Carboxylate Ligand","Organometallics","2014","33","11","2831","","10.1021/om5003528","","","0.71073","MoKα","","0.0455","0.0372","","","0.0993","0.1046","","","","","","1.062","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083427","7.896","0.0004","13.1226","0.0008","13.8467","0.0007","83.174","0.005","85.479","0.004","79.467","0.005","1398.17","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl2 N4 O5 Ru -","- C25 H22 Cl2 N4 O5 Ru -","- C50 H44 Cl4 N8 O10 Ru2 -","2","1","","Huang, Chang-Yao; Kuan, Kai-Yuan; Liu, Yi-Hong; Peng, Shie-Ming; Liu, Shiuh-Tzung","Synthesis and Catalytic Activity of Water-Soluble Ruthenium(II) Complexes Bearing a Naphthyridine‒Carboxylate Ligand","Organometallics","2014","33","11","2831","","10.1021/om5003528","","","0.71073","MoKα","","0.0881","0.0715","","","0.1965","0.2193","","","","","","1.002","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083480","10.4183","0.0004","18.7275","0.0006","20.6091","0.0008","90","","101.356","0.001","90","","3942.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H78 Cl14 N6 O8 Pt2 -","- C68 H78 Cl14 N6 O8 Pt2 -","- C136 H156 Cl28 N12 O16 Pt4 -","2","0.5","","Xu, Peng; Wu, Haotian; Jia, Hongxing; Ye, Shifan; Du, Pingwu","Linear Bimetallic Alkynylplatinum(II) Terpyridyl Complexes Bearingp-Phenylene Ethynylene Oligomers: Synthesis, Characterization, Aggregation, and Photophysical Properties","Organometallics","2014","33","11","2738","","10.1021/om500115s","","","0.71073","MoKα","","0.0366","0.0281","","","0.0618","0.0669","","","","","","1.07","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083481","9.613","0.003","11.831","0.004","12.929","0.004","63.527","0.019","84.114","0.019","74.61","0.02","1268.8","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H44 Al2 N2 O4 -","- C18 H44 Al2 N2 O4 -","- C36 H88 Al4 N4 O8 -","2","1","","Kim, So Han; Ahn, Duseong; Go, Min Jeong; Park, Myung Hwan; Kim, Min; Lee, Junseong; Kim, Youngjo","Dinuclear Aluminum Complexes as Catalysts for Cycloaddition of CO2to Epoxides","Organometallics","2014","33","11","2770","","10.1021/om500257j","","","0.71073","MoKα","","0.0901","0.0483","","","0.1163","0.1349","","","","","","1.008","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083482","8.8532","0.0005","8.911","0.0005","9.5815","0.0005","103.331","0.003","90.656","0.002","95.357","0.003","731.89","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 Al N O3 -","- C12 H26 Al N O3 -","- C24 H52 Al2 N2 O6 -","2","1","","Kim, So Han; Ahn, Duseong; Go, Min Jeong; Park, Myung Hwan; Kim, Min; Lee, Junseong; Kim, Youngjo","Dinuclear Aluminum Complexes as Catalysts for Cycloaddition of CO2to Epoxides","Organometallics","2014","33","11","2770","","10.1021/om500257j","","","0.71073","MoKα","","0.0934","0.0644","","","0.2251","0.2529","","","","","","1.07","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083483","14.8598","0.0017","10.6611","0.0013","17.406","0.002","90","","94.98","0.003","90","","2747.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 Al2 N4 O2 -","- C20 H48 Al2 N4 O2 -","- C80 H192 Al8 N16 O8 -","4","1","","Kim, So Han; Ahn, Duseong; Go, Min Jeong; Park, Myung Hwan; Kim, Min; Lee, Junseong; Kim, Youngjo","Dinuclear Aluminum Complexes as Catalysts for Cycloaddition of CO2to Epoxides","Organometallics","2014","33","11","2770","","10.1021/om500257j","","","0.71073","MoKα","","0.1025","0.0553","","","0.1194","0.14","","","","","","1.019","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083484","8.5358","0.0007","15.0315","0.0011","13.2573","0.001","90","","104.588","0.005","90","","1646.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H29 Al N2 O2 -","- C13 H29 Al N2 O2 -","- C52 H116 Al4 N8 O8 -","4","1","","Kim, So Han; Ahn, Duseong; Go, Min Jeong; Park, Myung Hwan; Kim, Min; Lee, Junseong; Kim, Youngjo","Dinuclear Aluminum Complexes as Catalysts for Cycloaddition of CO2to Epoxides","Organometallics","2014","33","11","2770","","10.1021/om500257j","","","0.71073","MoKα","","0.0993","0.0603","","","0.1676","0.1944","","","","","","1.068","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083485","21.2586","0.0006","10.1755","0.0002","23.031","0.0006","90","","115.863","0.004","90","","4483","0.2","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H50 Al Cl4 Cu N4 -","- C46 H50 Al Cl4 Cu N4 -","- C184 H200 Al4 Cl16 Cu4 N16 -","4","1","","Nako, Adi E.; Tan, Qian Wen; White, Andrew J. P.; Crimmin, Mark R.","Weakly Coordinated Zinc and Aluminum σ-Complexes of Copper(I)","Organometallics","2014","33","11","2685","","10.1021/om500380k","","","0.71073","MoKα","","0.0532","0.0366","","","0.0801","0.0872","","","","","","1.029","","","","has coordinates,has disorder","178723","2020-10-21","18:00:00",""
"4083486","20.1469","0.0002","18.18328","0.00018","22.0518","0.0002","90","","90","","90","","8078.38","0.13","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H49 Al Cl4 Cu N5 -","- C38 H49 Al Cl4 Cu N5 -","- C304 H392 Al8 Cl32 Cu8 N40 -","8","1","","Nako, Adi E.; Tan, Qian Wen; White, Andrew J. P.; Crimmin, Mark R.","Weakly Coordinated Zinc and Aluminum σ-Complexes of Copper(I)","Organometallics","2014","33","11","2685","","10.1021/om500380k","","","1.54184","CuKα","","0.0389","0.0323","","","0.0834","0.0879","","","","","","1.013","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083487","12.7453","0.0004","12.7844","0.0004","14.8223","0.0005","100.891","0.003","97.037","0.003","101.712","0.003","2289.55","0.14","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H55 Cl4 Cu N4 Zn -","- C46 H55 Cl4 Cu N4 Zn -","- C92 H110 Cl8 Cu2 N8 Zn2 -","2","1","","Nako, Adi E.; Tan, Qian Wen; White, Andrew J. P.; Crimmin, Mark R.","Weakly Coordinated Zinc and Aluminum σ-Complexes of Copper(I)","Organometallics","2014","33","11","2685","","10.1021/om500380k","","","1.54184","CuKα","","0.0485","0.0397","","","0.1055","0.1113","","","","","","1.091","","","","has coordinates,has disorder","178723","2020-10-21","18:00:00",""
"4083488","9.0651","0.0006","10.7285","0.0007","16.4782","0.0012","87.118","0.006","84.411","0.006","67.603","0.005","1474.5","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","triphenylbismuth bis(5-bromosalicylate)","","- C32 H23 Bi Br2 O6 -","- C32 H23 Bi Br2 O6 -","- C64 H46 Bi2 Br4 O12 -","2","1","","Kumar, Ish; Bhattacharya, Prateek; Whitmire, Kenton H.","Facile One-Pot Synthesis of Triphenylbismuth(V) Bis(carboxylate) Complexes","Organometallics","2014","33","11","2906","","10.1021/om500337z","","","0.71073","MoKα","","0.0383","0.0348","","","0.1009","0.1056","","","","","","0.816","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083489","8.924","0.004","9.178","0.004","17.7944","0.001","77.16","0.02","82.9","0.02","72.383","0.019","1351.9","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","triphenylbismuth bis(salicylate)","","- C32 H25 Bi O6 -","- C32 H25 Bi O6 -","- C64 H50 Bi2 O12 -","2","1","","Kumar, Ish; Bhattacharya, Prateek; Whitmire, Kenton H.","Facile One-Pot Synthesis of Triphenylbismuth(V) Bis(carboxylate) Complexes","Organometallics","2014","33","11","2906","","10.1021/om500337z","","","0.71075","MoKα","","0.0315","0.0269","","","0.067","0.076","","","","","","0.896","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083490","9.2064","0.0004","9.3895","0.0004","17.6453","0.0012","79.092","0.006","84.26","0.006","70.838","0.005","1413.6","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","triphenylbismuth bis(2,6-dihydroxybenzoate)","","- C32 H25 Bi O8 -","- C32 H25 Bi O8 -","- C64 H50 Bi2 O16 -","2","1","","Kumar, Ish; Bhattacharya, Prateek; Whitmire, Kenton H.","Facile One-Pot Synthesis of Triphenylbismuth(V) Bis(carboxylate) Complexes","Organometallics","2014","33","11","2906","","10.1021/om500337z","","","0.71073","MoKα","","0.0417","0.0333","","","0.0642","0.0669","","","","","","1.063","","","","has coordinates,has disorder","178723","2020-10-21","18:00:00",""
"4083491","19.295","0.018","9.699","0.009","15.885","0.016","90","","103.905","0.017","90","","2886","5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","triphenylbismuth bis(3-methylanthranilate)","","- C34 H31 Bi N2 O4 -","- C34 H31 Bi N2 O4 -","- C136 H124 Bi4 N8 O16 -","4","1","","Kumar, Ish; Bhattacharya, Prateek; Whitmire, Kenton H.","Facile One-Pot Synthesis of Triphenylbismuth(V) Bis(carboxylate) Complexes","Organometallics","2014","33","11","2906","","10.1021/om500337z","","","0.71073","MoKα","","0.0885","0.0484","","","0.1272","0.192","","","","","","0.948","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083492","10.566","0.005","15.509","0.008","16.743","0.008","87.535","0.017","76.79","0.009","81.595","0.012","2642","2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","triphenylbismuth bis(benzoate)","","- C32 H25 Bi O4 -","- C32 H25 Bi O4 -","- C128 H100 Bi4 O16 -","4","2","","Kumar, Ish; Bhattacharya, Prateek; Whitmire, Kenton H.","Facile One-Pot Synthesis of Triphenylbismuth(V) Bis(carboxylate) Complexes","Organometallics","2014","33","11","2906","","10.1021/om500337z","","","0.71075","MoKα","","0.0486","0.0385","","","0.0943","0.1056","","","","","","1.122","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4083493","10.0674","0.0008","10.9113","0.0008","19.9851","0.0015","102.171","0.001","98.025","0.001","99.289","0.001","2083.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H67 B Cl N2 Os P -","- C43 H67 B Cl N2 Os P -","- C86 H134 B2 Cl2 N4 Os2 P2 -","2","1","","Buil, María L.; Cardo, Juan J. F.; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique","Unprecedented Addition of Tetrahydroborate to an Osmium‒Carbon Triple Bond","Organometallics","2014","33","11","2689","","10.1021/om500451x","","","0.71073","MoKα","","0.0385","0.0307","","","0.0667","0.069","","","","","","0.999","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083514","14.584","0.0002","15.945","0.0003","22.783","0.0005","90","","90","","90","","5298","0.17","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H70 Cl2 N2 O3 Pt -","- C59 H70 Cl2 N2 O3 Pt -","- C236 H280 Cl8 N8 O12 Pt4 -","4","1","","Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Synthesis, Structural, and Photophysical Studies of Phenylquinoline and Phenylquinolinyl Alkynyl Based Pt(II) Complexes","Organometallics","2014","33","12","3078","","10.1021/om500336v","","x-ray","0.71073","MoKα","","0.0485","0.0412","","","0.096","0.0994","","","","","","1.111","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083515","10.7312","0.0006","11.0656","0.0006","16.479","0.0009","82.168","0.003","74.397","0.002","63.497","0.002","1686.36","0.16","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","sr180","","","- C42 H38 N2 Pt2 -","- C42 H38 N2 Pt2 -","- C84 H76 N4 Pt4 -","2","1","","Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Synthesis, Structural, and Photophysical Studies of Phenylquinoline and Phenylquinolinyl Alkynyl Based Pt(II) Complexes","Organometallics","2014","33","12","3078","","10.1021/om500336v","","x-ray","0.71073","MoKα","","0.0401","0.0315","","","0.0744","0.0784","","","","","","1.102","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083516","16.773","0.0006","13.868","0.0003","20.472","0.0008","90","","103.429","0.001","90","","4631.8","0.3","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","Compound X","","","- C51 H40 Cl6 N2 Pt2 -","- C51 H40 Cl6 N2 Pt2 -","- C204 H160 Cl24 N8 Pt8 -","4","1","","Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Synthesis, Structural, and Photophysical Studies of Phenylquinoline and Phenylquinolinyl Alkynyl Based Pt(II) Complexes","Organometallics","2014","33","12","3078","","10.1021/om500336v","","x-ray","0.71073","MoKα","","0.0569","0.0367","","","0.0885","0.1019","","","","","","0.831","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083517","10.7622","0.0006","15.6094","0.0008","23.3584","0.0012","71.617","0.0014","83.127","0.0017","84.786","0.0015","3691.1","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H128 B N3 O2 P2 Ru2 -","- C77 H120 B N3 O2 P2 Ru2 -","- C154 H240 B2 N6 O4 P4 Ru4 -","2","1","","Namura, Kyo; Suzuki, Hiroharu","Synthesis, Structure, and Reactivity of Mixed-Ligand Dinuclear Ruthenium Polyhydrido Complexes Supported by 1,4,7-Trimethyl-1,4,7-triazacyclononane and Bulky Phosphine Ligands","Organometallics","2014","33","12","2968","","10.1021/om500018j","","","0.71069","MoKα","","0.1047","0.0592","","","0.1274","0.1526","","","","","","1.079","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083518","8.4781","0.0004","11.4395","0.0006","20.3177","0.0009","84.837","0.0015","81.124","0.0013","77.203","0.0016","1895.37","0.16","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H68 F6 N3 P3 Ru2 -","- C27 H47 F6 N3 P3 Ru2 -","- C54 H94 F12 N6 P6 Ru4 -","2","1","","Namura, Kyo; Suzuki, Hiroharu","Synthesis, Structure, and Reactivity of Mixed-Ligand Dinuclear Ruthenium Polyhydrido Complexes Supported by 1,4,7-Trimethyl-1,4,7-triazacyclononane and Bulky Phosphine Ligands","Organometallics","2014","33","12","2968","","10.1021/om500018j","","","0.71069","MoKα","","0.0761","0.0631","","","0.1675","0.1787","","","","","","1.093","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083519","9.7471","0.0006","12.7237","0.0007","18.6441","0.001","98.292","0.0015","91.545","0.0015","94.094","0.0016","2280.6","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H80 F6 N3 P3 Ru2 -","- C39 H74 F6 N3 P3 Ru2 -","- C78 H148 F12 N6 P6 Ru4 -","2","1","","Namura, Kyo; Suzuki, Hiroharu","Synthesis, Structure, and Reactivity of Mixed-Ligand Dinuclear Ruthenium Polyhydrido Complexes Supported by 1,4,7-Trimethyl-1,4,7-triazacyclononane and Bulky Phosphine Ligands","Organometallics","2014","33","12","2968","","10.1021/om500018j","","","0.71069","MoKα","","0.0455","0.0388","","","0.0967","0.1014","","","","","","1.033","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083520","12.1563","0.0004","17.504","0.0006","14.4607","0.0005","90","","101.669","0.0011","90","","3013.41","0.18","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H115 N3 O3 P2 Ru2 -","- C57 H101 N3 O3 P2 Ru2 -","- C114 H202 N6 O6 P4 Ru4 -","2","1","","Namura, Kyo; Suzuki, Hiroharu","Synthesis, Structure, and Reactivity of Mixed-Ligand Dinuclear Ruthenium Polyhydrido Complexes Supported by 1,4,7-Trimethyl-1,4,7-triazacyclononane and Bulky Phosphine Ligands","Organometallics","2014","33","12","2968","","10.1021/om500018j","","","0.71069","MoKα","","0.0538","0.048","","","0.1164","0.1207","","","","","","1.044","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083521","11.4893","0.0008","16.3668","0.0009","17.924","0.0011","90","","93.029","0.002","90","","3365.8","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H67 N3 P2 Ru2 -","- C27 H67 N3 P2 Ru2 -","- C108 H268 N12 P8 Ru8 -","4","1","","Namura, Kyo; Suzuki, Hiroharu","Synthesis, Structure, and Reactivity of Mixed-Ligand Dinuclear Ruthenium Polyhydrido Complexes Supported by 1,4,7-Trimethyl-1,4,7-triazacyclononane and Bulky Phosphine Ligands","Organometallics","2014","33","12","2968","","10.1021/om500018j","","","0.71069","MoKα","","0.0779","0.0638","","","0.1666","0.177","","","","","","1.074","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083522","11.2776","0.001","12.3815","0.0009","15.1044","0.0011","93.206","0.002","90.486","0.003","107.437","0.002","2008.3","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H79 N3 P2 Ru2 -","- C39 H65 N3 P2 Ru2 -","- C78 H130 N6 P4 Ru4 -","2","1","","Namura, Kyo; Suzuki, Hiroharu","Synthesis, Structure, and Reactivity of Mixed-Ligand Dinuclear Ruthenium Polyhydrido Complexes Supported by 1,4,7-Trimethyl-1,4,7-triazacyclononane and Bulky Phosphine Ligands","Organometallics","2014","33","12","2968","","10.1021/om500018j","","","0.71069","MoKα","","0.0916","0.0751","","","0.2088","0.2269","","","","","","1.055","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083523","8.5536","0.0004","10.8439","0.0007","22.7252","0.0011","80.595","0.002","80.835","0.0014","67.964","0.0017","1916.52","0.18","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H66 F6 N5 P3 Ru2 -","- C27 H66 F6 N5 P3 Ru2 -","- C54 H132 F12 N10 P6 Ru4 -","2","1","","Namura, Kyo; Suzuki, Hiroharu","Synthesis, Structure, and Reactivity of Mixed-Ligand Dinuclear Ruthenium Polyhydrido Complexes Supported by 1,4,7-Trimethyl-1,4,7-triazacyclononane and Bulky Phosphine Ligands","Organometallics","2014","33","12","2968","","10.1021/om500018j","","","0.71069","MoKα","","0.0627","0.0365","","","0.0651","0.0764","","","","","","1.066","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083524","11.574","0.0004","12.8761","0.0006","14.7213","0.0006","98.677","0.0012","105.848","0.0012","101.02","0.0012","2023.11","0.14","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H148 F12 N8 O2 P6 Ru4 -","- C62 H132 F12 N8 O2 P6 Ru4 -","- C62 H132 F12 N8 O2 P6 Ru4 -","1","0.5","","Namura, Kyo; Suzuki, Hiroharu","Synthesis, Structure, and Reactivity of Mixed-Ligand Dinuclear Ruthenium Polyhydrido Complexes Supported by 1,4,7-Trimethyl-1,4,7-triazacyclononane and Bulky Phosphine Ligands","Organometallics","2014","33","12","2968","","10.1021/om500018j","","","0.71069","MoKα","","0.0369","0.0336","","","0.0854","0.0874","","","","","","1.035","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083525","10.213","0.0003","22.9982","0.0005","19.9737","0.0006","90","","90.325","0.001","90","","4691.4","0.2","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H84 F6 N3 O3 P3 Ru2 -","- C41 H74 F6 N3 O3 P3 Ru2 -","- C164 H296 F24 N12 O12 P12 Ru8 -","4","1","","Namura, Kyo; Suzuki, Hiroharu","Synthesis, Structure, and Reactivity of Mixed-Ligand Dinuclear Ruthenium Polyhydrido Complexes Supported by 1,4,7-Trimethyl-1,4,7-triazacyclononane and Bulky Phosphine Ligands","Organometallics","2014","33","12","2968","","10.1021/om500018j","","","0.71069","MoKα","","0.0359","0.0307","","","0.0776","0.0808","","","","","","1.036","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083526","8.8866","0.0004","12.111","0.0006","22.2591","0.0009","87.606","0.0013","81.635","0.0012","87.001","0.0013","2365.5","0.19","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H82 F6 N3 O5 P3 Ru2 -","- C36 H78 F6 N3 O5 P3 Ru2 -","- C72 H156 F12 N6 O10 P6 Ru4 -","2","1","","Namura, Kyo; Suzuki, Hiroharu","Synthesis, Structure, and Reactivity of Mixed-Ligand Dinuclear Ruthenium Polyhydrido Complexes Supported by 1,4,7-Trimethyl-1,4,7-triazacyclononane and Bulky Phosphine Ligands","Organometallics","2014","33","12","2968","","10.1021/om500018j","","","0.71069","MoKα","","0.0554","0.0481","","","0.122","0.1276","","","","","","1.034","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083527","11.317","0.0006","19.7994","0.001","21.3448","0.001","75.866","0.0013","81.407","0.0014","87.943","0.0015","4585.9","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H160 F12 N6 O3 P6 Ru4 -","- C81 H150 F12 N6 O3 P6 Ru4 -","- C162 H300 F24 N12 O6 P12 Ru8 -","2","1","","Namura, Kyo; Suzuki, Hiroharu","Synthesis, Structure, and Reactivity of Mixed-Ligand Dinuclear Ruthenium Polyhydrido Complexes Supported by 1,4,7-Trimethyl-1,4,7-triazacyclononane and Bulky Phosphine Ligands","Organometallics","2014","33","12","2968","","10.1021/om500018j","","","0.71069","MoKα","","0.1218","0.0774","","","0.1946","0.229","","","","","","1.075","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083528","12.0593","0.0003","19.9706","0.0005","16.6264","0.0004","90","","90.121","0.002","90","","4004.15","0.17","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 B F20 N Si4 -","- C35 H34 B F20 N Si4 -","- C140 H136 B4 F80 N4 Si16 -","4","1","","Labbow, René; Reiß, Fabian; Schulz, Axel; Villinger, Alexander","Synthesis of the First Persilylated Ammonium Ion, [(Me3Si)3NSi(H)Me2]+, by Silylium-Catalyzed Methyl/Hydrogen Exchange Reactions","Organometallics","2014","","","140605100750002","","10.1021/om500519j","","","0.71073","MoKα","","0.0959","0.0536","","","0.1226","0.1431","","","","","","1.017","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083529","10.1228","0.0005","20.2441","0.0007","13.15","0.0005","90","","109.605","0.003","90","","2538.57","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H15 B F9 P -","- C30 H15 B F9 P -","- C120 H60 B4 F36 P4 -","4","1","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.05","0.0397","","","0.1035","0.1089","","","","","","1.035","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083530","11.6441","0.0014","11.3912","0.0008","15.7074","0.0018","90","","100.691","0.009","90","","2047.3","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 B2 Li2 O8 P2 -","- C34 H62 B2 Li2 O8 P2 -","- C68 H124 B4 Li4 O16 P4 -","2","0.5","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.0801","0.0646","","","0.1573","0.1654","","","","","","1.095","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083531","8.1751","0.0005","14.6574","0.0009","15.4393","0.0009","90","","105.119","0.005","90","","1785.99","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 B2 Li2 O2 P2 -","- C34 H56 B2 Li2 O2 P2 -","- C68 H112 B4 Li4 O4 P4 -","2","0.5","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.045","0.0408","","","0.1038","0.1064","","","","","","1.063","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083532","7.9836","0.0004","23.4684","0.0012","8.7674","0.0005","90","","107.429","0.004","90","","1567.26","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 B2 Li2 O2 P2 -","- C28 H50 B2 Li2 O2 P2 -","- C56 H100 B4 Li4 O4 P4 -","2","0.5","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.0854","0.0836","","","0.2157","0.217","","","","","","1.065","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083533","12.6396","0.0007","11.967","0.0007","9.9335","0.0006","90","","90","","90","","1502.52","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H24 B O P -","- C14 H24 B O P -","- C56 H96 B4 O4 P4 -","4","0.5","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.0566","0.0523","","","0.1297","0.1326","","","","","","1.149","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083534","24.9163","0.0011","18.1628","0.0006","23.2274","0.0008","90","","90","","90","","10511.6","0.7","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C48 H68 B2 F10 Mg O4 P2 -","- C48 H68 B2 F10 Mg O4 P2 -","- C384 H544 B16 F80 Mg8 O32 P16 -","8","1","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.1189","0.0628","","","0.1123","0.1319","","","","","","1.016","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083535","26.1843","0.0008","17.9091","0.0004","23.3892","0.0006","90","","90","","90","","10968.1","0.5","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H73 B2 F10 Mg O4.5 P2 -","- C50 H73 B2 F10 Mg O4.5 P2 -","- C400 H584 B16 F80 Mg8 O36 P16 -","8","1","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.0791","0.0542","","","0.1179","0.1274","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083536","8.2095","0.0005","20.649","0.0009","12.0842","0.0007","90","","100.62","0.005","90","","2013.4","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 B F5 O P -","- C20 H23 B F5 O P -","- C80 H92 B4 F20 O4 P4 -","4","1","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.0485","0.0419","","","0.1043","0.108","","","","","","1.087","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083537","8.2394","0.0006","12.3234","0.0009","19.8146","0.0017","90","","91.291","0.006","90","","2011.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 B F5 O P -","- C20 H23 B F5 O P -","- C80 H92 B4 F20 O4 P4 -","4","1","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.0639","0.0485","","","0.124","0.1328","","","","","","1.042","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083538","21.5498","0.0008","13.5816","0.0007","22.3381","0.0009","90","","110.854","0.003","90","","6109.6","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H58 B2 F20 Mg O2 P2 -","- C64 H58 B2 F20 Mg O2 P2 -","- C256 H232 B8 F80 Mg4 O8 P8 -","4","0.5","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.0375","0.0343","","","0.0856","0.0875","","","","","","1.065","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083539","10.5698","0.0009","12.2356","0.001","12.7246","0.0011","111.819","0.006","97.953","0.007","110.112","0.006","1366.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H25 B F10 O P -","- C29 H25 B F10 O P -","- C58 H50 B2 F20 O2 P2 -","2","1","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.0687","0.0433","","","0.089","0.0968","","","","","","1.002","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083540","11.7547","0.0008","15.4233","0.001","15.8242","0.0011","102.286","0.005","92.657","0.005","110.511","0.005","2602.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 B F10 O P -","- C26 H24 B F10 O P -","- C104 H96 B4 F40 O4 P4 -","4","2","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.0764","0.0448","","","0.0936","0.1041","","","","","","0.98","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083541","42.451","0.003","8.0922","0.0005","18.3949","0.001","90","","111.974","0.004","90","","5860","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H19 B Br F10 P -","- C33.5 H19 B Br F10 P -","- C268 H152 B8 Br8 F80 P8 -","8","1","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.0516","0.0418","","","0.1014","0.1065","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083542","11.822","0.002","13.84","0.002","19.008","0.003","77.506","0.012","87.659","0.014","76.638","0.012","2954","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H184 B4 Li4 O8 P8 -","- C112 H184 B4 Li4 O8 P8 -","- C112 H184 B4 Li4 O8 P8 -","1","0.5","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.1862","0.0629","","","0.0939","0.1308","","","","","","0.73","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083543","9.7229","0.0007","15.4677","0.0008","10.403","0.0007","90","","101.58","0.006","90","","1532.67","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 I O P -","- C14 H22 I O P -","- C56 H88 I4 O4 P4 -","4","1","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.0259","0.0236","","","0.0605","0.0615","","","","","","1.068","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083544","9.7908","0.0012","15.5575","0.0016","10.0203","0.0012","90","","104.322","0.009","90","","1478.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Br P -","- C14 H22 Br P -","- C56 H88 Br4 P4 -","4","1","","Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes","Organometallics","2014","33","12","3163","","10.1021/om500385h","","","0.71073","MoKα","","0.039","0.0315","","","0.076","0.0789","","","","","","1.029","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083545","26.0383","0.0005","9.676","0.0003","20.034","0.007","90","","105.271","0.003","90","","4869.3","1.7","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H52 Cl6 N4 O6 P2 Sn2 -","- C38 H52 Cl6 N4 O6 P2 Sn2 -","- C152 H208 Cl24 N16 O24 P8 Sn8 -","4","0.5","","Mairychová, Barbora; Štěpnička, Petr; Ru̇žička, Aleš; Dostál, Libor; Jambor, Roman","Reactivity Studies on an Intramolecularly Coordinated Organotin(IV) Carbonate","Organometallics","2014","33","12","3021","","10.1021/om5002759","","","0.71073","MoKα","","0.0378","0.0277","","","0.057","0.0632","","","","","","1.092","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083546","15.7261","0.0016","16.627","0.0012","16.655","0.002","119.821","0.005","117.234","0.006","90.76","0.007","3191.5","0.7","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C120 H114 Cl18 Fe6 O18 Sn6 -","- C120 H114 Cl18 Fe6 O18 Sn6 -","- C120 H114 Cl18 Fe6 O18 Sn6 -","1","0.5","","Mairychová, Barbora; Štěpnička, Petr; Ru̇žička, Aleš; Dostál, Libor; Jambor, Roman","Reactivity Studies on an Intramolecularly Coordinated Organotin(IV) Carbonate","Organometallics","2014","33","12","3021","","10.1021/om5002759","","","0.71073","MoKα","","0.0483","0.039","","","0.0878","0.0961","","","","","","1.176","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083547","14.561","0.0007","17.35","0.0017","24.531","0.003","90","","90","","90","","6197.3","1","150","1","150","1","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C43 H64 Cl10 F6 N4 O10 S2 Sn2 -","- C43 H64 Cl10 F6 N4 O10 S2 Sn2 -","- C172 H256 Cl40 F24 N16 O40 S8 Sn8 -","4","0.5","","Mairychová, Barbora; Štěpnička, Petr; Ru̇žička, Aleš; Dostál, Libor; Jambor, Roman","Reactivity Studies on an Intramolecularly Coordinated Organotin(IV) Carbonate","Organometallics","2014","33","12","3021","","10.1021/om5002759","","","0.71073","MoKα","","0.1163","0.0913","","","0.2286","0.2485","","","","","","1.18","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083548","11.4291","0.0007","11.619","0.0003","18.6789","0.001","96.109","0.004","95.131","0.006","101.705","0.004","2399.3","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H68 N4 O7 P2 Sn2 -","- C44 H68 N4 O7 P2 Sn2 -","- C88 H136 N8 O14 P4 Sn4 -","2","1","","Mairychová, Barbora; Štěpnička, Petr; Ru̇žička, Aleš; Dostál, Libor; Jambor, Roman","Reactivity Studies on an Intramolecularly Coordinated Organotin(IV) Carbonate","Organometallics","2014","33","12","3021","","10.1021/om5002759","","","0.71073","MoKα","","0.0717","0.0421","","","0.0806","0.0921","","","","","","1.078","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083549","13.8631","0.0014","18.617","0.001","22.59","0.002","90","","90","","90","","5830.2","0.8","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28.5 H38 B2 N2 O5 Sn -","- C28.5 H38 B2 N2 O5 Sn -","- C228 H304 B16 N16 O40 Sn8 -","8","2","","Mairychová, Barbora; Štěpnička, Petr; Ru̇žička, Aleš; Dostál, Libor; Jambor, Roman","Reactivity Studies on an Intramolecularly Coordinated Organotin(IV) Carbonate","Organometallics","2014","33","12","3021","","10.1021/om5002759","","","0.71073","MoKα","","0.0776","0.0506","","","0.0846","0.0971","","","","","","1.193","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083550","13.261","0.0005","13.0303","0.0006","30.4909","0.0013","90","","92.1125","0.0016","90","","5265.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C53 H45 F18 N4 O3 P3 Ru Si -","- C53 H45 F18 N4 O3 P3 Ru Si -","- C212 H180 F72 N16 O12 P12 Ru4 Si4 -","4","1","","Fu, Chen; Harms, Klaus; Zhang, Lilu; Meggers, Eric","DNA Mismatch Recognition by a Hexacoordinate Silicon Sandwich‒Ruthenium Hybrid Complex","Organometallics","2014","33","12","3219","","10.1021/om500367a","","","0.71073","MoKα","","0.0915","0.0671","","","0.1675","0.1806","","","","","","1.079","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083551","11.4608","0.0008","15.0988","0.0011","18.7293","0.0014","67.531","0.001","76.095","0.001","77.868","0.001","2881.8","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","ae resting state","","","- C68 H61 Ir O8 P2 -","- C68 H61 Ir O8 P2 -","- C136 H122 Ir2 O16 P4 -","2","1","","Abkai, Golnar; Schmidt, Sebastian; Rosendahl, Tobias; Rominger, Frank; Hofmann, Peter","Iridium Models of Rhodium Intermediates in Hydroformylation Catalysis: Isolation and Molecular Structures of Fluxional ae and ee Isomers","Organometallics","2014","33","12","3212","","10.1021/om401139u","","","0.71073","MoKα","","0.0576","0.0397","","","0.0775","0.0844","","","","","","1.015","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083552","7.6301","0.0001","8.7305","0.0001","13.4808","0.0001","96.492","0.001","92.494","0.001","110.843","0.001","830.471","0.017","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 B2 Cr Si2 -","- C34 H48 B2 Cr Si2 -","- C34 H48 B2 Cr Si2 -","1","0.5","","Mushtaq, Ambreen; Bi, Wenhua; Légaré, Marc-André; Fontaine, Frédéric-Georges","Synthesis and Reactivity of Novel Mesityl Boratabenzene Ligands and Their Coordination to Transition Metals","Organometallics","2014","33","12","3173","","10.1021/om500406b","","","0.71073","MoKα","","0.0457","0.0355","","","0.0956","0.1025","","","","","","1.048","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083553","8.0914","0.0004","13.2182","0.0007","14.643","0.0007","66.868","0.001","78.855","0.001","76.563","0.001","1391.65","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H40 B2 Fe Si -","- C31 H40 B2 Fe Si -","- C62 H80 B4 Fe2 Si2 -","2","1","","Mushtaq, Ambreen; Bi, Wenhua; Légaré, Marc-André; Fontaine, Frédéric-Georges","Synthesis and Reactivity of Novel Mesityl Boratabenzene Ligands and Their Coordination to Transition Metals","Organometallics","2014","33","12","3173","","10.1021/om500406b","","","0.71073","MoKα","","0.0421","0.0355","","","0.0945","0.0993","","","","","","1.067","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083554","8.6949","0.0001","12.9675","0.0002","10.2194","0.0001","90","","92.612","0.001","90","","1151.05","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H32 B2 Fe -","- C28 H32 B2 Fe -","- C56 H64 B4 Fe2 -","2","1","","Mushtaq, Ambreen; Bi, Wenhua; Légaré, Marc-André; Fontaine, Frédéric-Georges","Synthesis and Reactivity of Novel Mesityl Boratabenzene Ligands and Their Coordination to Transition Metals","Organometallics","2014","33","12","3173","","10.1021/om500406b","","","0.71073","MoKα","","0.0314","0.0295","","","0.0789","0.0801","","","","","","1.043","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083555","10.2792","0.0008","9.3315","0.0007","18.8328","0.0013","90","","100.81","0.002","90","","1774.4","0.2","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C33.5 H35 B Cl F4 O3 P2 Rh -","- C33.5 H35 B Cl F4 O3 P2 Rh -","- C67 H70 B2 Cl2 F8 O6 P4 Rh2 -","2","1","","Lao, Joan R.; Benet-Buchholz, J.; Vidal-Ferran, Anton","1,1-P‒OP Ligands with P-Stereogenic Phosphino Groups in Asymmetric Hydrogenations and Hydroformylations","Organometallics","2014","33","12","2960","","10.1021/om500378b","","","0.71073","MoKα","","0.0807","0.0768","","","0.2223","0.2277","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083556","10.9989","0.0012","11.2875","0.0012","18.3289","0.0019","103.662","0.003","90.306","0.004","105.477","0.003","2125.3","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C48.5 H57 B O3 P2 -","- C48.5 H57 B O3 P2 -","- C97 H114 B2 O6 P4 -","2","2","","Lao, Joan R.; Benet-Buchholz, J.; Vidal-Ferran, Anton","1,1-P‒OP Ligands with P-Stereogenic Phosphino Groups in Asymmetric Hydrogenations and Hydroformylations","Organometallics","2014","33","12","2960","","10.1021/om500378b","","","0.71073","MoKα","","0.0482","0.0392","","","0.098","0.1085","","","","","","1.08","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083557","8.7598","0.0019","14.617","0.003","26.903","0.006","90","","90","","90","","3444.7","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22.5 B0.5 O1.5 P -","- C19 H22.5 B0.5 O1.5 P -","- C152 H180 B4 O12 P8 -","8","2","","Lao, Joan R.; Benet-Buchholz, J.; Vidal-Ferran, Anton","1,1-P‒OP Ligands with P-Stereogenic Phosphino Groups in Asymmetric Hydrogenations and Hydroformylations","Organometallics","2014","33","12","2960","","10.1021/om500378b","","","0.71073","MoKα","","0.0378","0.0358","","","0.0963","0.0983","","","","","","1.085","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083558","11.17","0.003","13.15","0.003","15.738","0.004","88.22","0.004","88.451","0.004","74.635","0.004","2227.6","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H49 B9 Cl2 N P2 Rh S -","- C43 H47 B9 Cl2 N P2 Rh S -","- C86 H94 B18 Cl4 N2 P4 Rh2 S2 -","2","1","","Álvarez, Álvaro; Calvo, Beatriz; Mac\?ías, Ramón; Lahoz, Fernando J.; Oro, Luis A.","Hydridorhodathiaboranes: Synthesis, Characterization, and Reactivity","Organometallics","2014","33","12","3137","","10.1021/om500374g","","","0.71073","MoKα","","0.0511","0.0404","","","0.0844","0.0885","","","","","","1.064","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083559","15.104","0.005","20.372","0.006","15.893","0.005","90","","96.183","0.006","90","","4862","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 B9 Cl4 N P2 Rh S -","- C44 H51 B9 Cl4 N P2 Rh S -","- C176 H204 B36 Cl16 N4 P8 Rh4 S4 -","4","1","","Álvarez, Álvaro; Calvo, Beatriz; Mac\?ías, Ramón; Lahoz, Fernando J.; Oro, Luis A.","Hydridorhodathiaboranes: Synthesis, Characterization, and Reactivity","Organometallics","2014","33","12","3137","","10.1021/om500374g","","","0.71073","MoKα","","0.0997","0.0711","","","0.1432","0.155","","","","","","1.092","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083560","11.4935","0.0011","22.644","0.002","17.3387","0.0017","90","","91.559","0.002","90","","4510.9","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H46 B9 Cl3 N P2 Rh S -","- C43 H46 B9 Cl3 N P2 Rh S -","- C172 H184 B36 Cl12 N4 P8 Rh4 S4 -","4","1","","Álvarez, Álvaro; Calvo, Beatriz; Mac\?ías, Ramón; Lahoz, Fernando J.; Oro, Luis A.","Hydridorhodathiaboranes: Synthesis, Characterization, and Reactivity","Organometallics","2014","33","12","3137","","10.1021/om500374g","","","0.71073","MoKα","","0.1261","0.0661","","","0.1164","0.1398","","","","","","1.033","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083561","19.192","0.003","29.161","0.004","19.192","0.003","90","","116.899","0.011","90","","9579","3","203","2","203","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C228 H172 Cl4 F12 Ir4 N8 O30 S4 -","- C228 H172 Cl4 F12 Ir4 N8 O30 S4 -","- C456 H344 Cl8 F24 Ir8 N16 O60 S8 -","2","0.5","","Zhang, Wen-Ying; Han, Ying-Feng; Weng, Lin-Hong; Jin, Guo-Xin","Synthesis, Characterization, and Properties of Half-Sandwich Iridium/Rhodium-Based Metallarectangles","Organometallics","2014","33","12","3091","","10.1021/om500338w","","","0.71073","MoKα","","0.1181","0.0691","","","0.166","0.1935","","","","","","1.027","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083562","18.509","0.001","42.721","0.003","9.4765","0.0006","90","","90","","90","","7493.3","0.8","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","Moris-315 (Naveen)","","","- C19 H30 N2 -","- C19 H30 N2 -","- C304 H480 N32 -","16","1","","Kulkarni, Naveen V.; Elkin, Tatyana; Tumaniskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Asymmetric Bis(formamidinate) Group 4 Complexes: Synthesis, Structure and Their Reactivity in the Polymerization of α-Olefins.","Organometallics","2014","33","12","3119","","10.1021/om500345r","","","0.71073","MoKα","","0.1283","0.0941","","","0.2433","0.2607","","","","","","1.126","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083563","10.955","0.002","21.671","0.004","22.808","0.004","109.78","0.003","100.72","0.03","95.85","0.02","4926.1","1.7","240","2","240","2","","","","","","","","5","P -1","-P 1","2","Moris-317 (Naveen)","","","- C95 H132 N12 O4 Ti2 -","- C95 H132 N12 O4 Ti2 -","- C190 H264 N24 O8 Ti4 -","2","1","","Kulkarni, Naveen V.; Elkin, Tatyana; Tumaniskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Asymmetric Bis(formamidinate) Group 4 Complexes: Synthesis, Structure and Their Reactivity in the Polymerization of α-Olefins.","Organometallics","2014","33","12","3119","","10.1021/om500345r","","","0.71073","MoKα","","0.101","0.0695","","","0.2154","0.2352","","","","","","1.13","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083564","11.218","0.002","12.036","0.002","15.388","0.003","73.94","0.02","78.87","0.02","71.56","0.02","1881.4","0.6","250","1","250","1","","","","","","","","5","P -1","-P 1","2","Moris-322 (Naveen)","","","- C38 H50 N6 O2 Ti -","- C38 H50 N6 O2 Ti -","- C76 H100 N12 O4 Ti2 -","2","1","","Kulkarni, Naveen V.; Elkin, Tatyana; Tumaniskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Asymmetric Bis(formamidinate) Group 4 Complexes: Synthesis, Structure and Their Reactivity in the Polymerization of α-Olefins.","Organometallics","2014","33","12","3119","","10.1021/om500345r","","","0.71073","MoKα","","0.0826","0.054","","","0.1526","0.1692","","","","","","0.974","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083565","11.509","0.002","11.845","0.002","17.247","0.004","98.39","0.03","109.4","0.03","92.74","0.02","2182.2","0.9","250","1","250","1","","","","","","","","4","P -1","-P 1","2","Moris-321 (Naveen)","","","- C45 H61 N6 Ti -","- C45 H61 N6 Ti -","- C90 H122 N12 Ti2 -","2","1","","Kulkarni, Naveen V.; Elkin, Tatyana; Tumaniskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Asymmetric Bis(formamidinate) Group 4 Complexes: Synthesis, Structure and Their Reactivity in the Polymerization of α-Olefins.","Organometallics","2014","33","12","3119","","10.1021/om500345r","","","0.71073","MoKα","","0.0916","0.0666","","","0.2027","0.2236","","","","","","1.02","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083566","13.66","0.003","18.147","0.004","19.029","0.004","104.31","0.03","109.81","0.03","109.64","0.03","3817","2","250","1","250","1","","","","","","","","4","P -1","-P 1","2","Moris-320 (Naveen)","","","- C36 H59 N6 Ti -","- C36 H59 N6 Ti -","- C144 H236 N24 Ti4 -","4","2","","Kulkarni, Naveen V.; Elkin, Tatyana; Tumaniskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Asymmetric Bis(formamidinate) Group 4 Complexes: Synthesis, Structure and Their Reactivity in the Polymerization of α-Olefins.","Organometallics","2014","33","12","3119","","10.1021/om500345r","","","0.71073","MoKα","","0.1366","0.0647","","","0.1799","0.2086","","","","","","0.899","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083567","30.244","0.006","13.876","0.003","25.219","0.006","90","","118","0.03","90","","9345","4","240","2","240","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Moris-324 (Naveen)","","","- C45.5 H69.5 Cl2 N4 O Zr -","- C45.5 H69.5 Cl2 N4 O Zr -","- C364 H556 Cl16 N32 O8 Zr8 -","8","1","","Kulkarni, Naveen V.; Elkin, Tatyana; Tumaniskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Asymmetric Bis(formamidinate) Group 4 Complexes: Synthesis, Structure and Their Reactivity in the Polymerization of α-Olefins.","Organometallics","2014","33","12","3119","","10.1021/om500345r","","","0.71073","MoKα","","0.1013","0.0593","","","0.1759","0.1938","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083568","21.615","0.004","18.168","0.004","21.452","0.004","90","","98.91","0.03","90","","8323","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H62 Cl2 N4 O Zr -","- C39.5 H62 Cl2 N4 O Zr -","- C316 H496 Cl16 N32 O8 Zr8 -","8","2","","Kulkarni, Naveen V.; Elkin, Tatyana; Tumaniskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Asymmetric Bis(formamidinate) Group 4 Complexes: Synthesis, Structure and Their Reactivity in the Polymerization of α-Olefins.","Organometallics","2014","33","12","3119","","10.1021/om500345r","","","0.71073","MoKα","","0.0682","0.0376","","","0.0734","0.0852","","","","","","1.007","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083569","14.809","0.001","12.1569","0.0009","18.395","0.001","90","","98.284","0.002","90","","3277.1","0.4","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Moris-326 (Naveen)","","","- C34 H38 Cl2 Hf N4 O2 -","- C34 H38 Cl2 Hf N4 O2 -","- C136 H152 Cl8 Hf4 N16 O8 -","4","1","","Kulkarni, Naveen V.; Elkin, Tatyana; Tumaniskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Asymmetric Bis(formamidinate) Group 4 Complexes: Synthesis, Structure and Their Reactivity in the Polymerization of α-Olefins.","Organometallics","2014","33","12","3119","","10.1021/om500345r","","","0.71073","MoKα","","0.0244","0.0204","","","0.0516","0.0534","","","","","","1.049","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083570","11.2322","0.0007","12.0886","0.0007","31.609","0.002","90","","90","","90","","4291.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 N4 Zr -","- C46 H64 N4 Zr -","- C184 H256 N16 Zr4 -","4","1","","Kulkarni, Naveen V.; Elkin, Tatyana; Tumaniskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Asymmetric Bis(formamidinate) Group 4 Complexes: Synthesis, Structure and Their Reactivity in the Polymerization of α-Olefins.","Organometallics","2014","33","12","3119","","10.1021/om500345r","","","0.71073","MoKα","","0.0307","0.027","","","0.0581","0.0597","","","","","","1.031","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083571","17.3526","0.0006","26.4565","0.0009","10.063","0.0004","90","","96.725","0.002","90","","4588","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Br Cl4 N3 O Pd -","- C52 H46 Br Cl4 N3 Pd -","- C208 H184 Br4 Cl16 N12 Pd4 -","4","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Mono- and Dialkyne Insertion Reactions of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N)Pd(μ-Br)]2andcis-/trans-[κ2(C,N)Pd(Lewis Base)Br]. Scaffolds for Enlarged, Rearranged, and Zwitterionic Palladacycles through Ring Contraction cum Amine‒Imine Tautomerization","Organometallics","2014","33","12","3182","","10.1021/om500423q","","","0.71073","MoKα","","0.064","0.0512","","","0.1553","0.1624","","","","","","1.1","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083572","12.794","0.0006","15.4877","0.0006","15.5141","0.0007","72.231","0.004","70.907","0.004","76.646","0.004","2736.9","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H104 Br4 Cl6 N8 Pd3 -","- C116 H104 Br4 Cl6 N8 Pd3 -","- C116 H104 Br4 Cl6 N8 Pd3 -","1","0.5","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Mono- and Dialkyne Insertion Reactions of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N)Pd(μ-Br)]2andcis-/trans-[κ2(C,N)Pd(Lewis Base)Br]. Scaffolds for Enlarged, Rearranged, and Zwitterionic Palladacycles through Ring Contraction cum Amine‒Imine Tautomerization","Organometallics","2014","33","12","3182","","10.1021/om500423q","","","0.71073","MoKα","","0.0791","0.0543","","","0.1769","0.1853","","","","","","1.103","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083573","10.9471","0.0006","13.6849","0.0007","25.9119","0.0013","90","","97.609","0.002","90","","3847.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Br N3 O7 Pd -","- C42 H38 Br N3 O7 Pd -","- C168 H152 Br4 N12 O28 Pd4 -","4","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Mono- and Dialkyne Insertion Reactions of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N)Pd(μ-Br)]2andcis-/trans-[κ2(C,N)Pd(Lewis Base)Br]. Scaffolds for Enlarged, Rearranged, and Zwitterionic Palladacycles through Ring Contraction cum Amine‒Imine Tautomerization","Organometallics","2014","33","12","3182","","10.1021/om500423q","","","0.71073","MoKα","","0.0817","0.0483","","","0.125","0.1606","","","","","","1.083","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083574","10.4536","0.0003","13.7749","0.0004","14.1565","0.0004","109.353","0.003","102.692","0.004","95.625","0.003","1843.72","0.11","119","2","119","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 Br N3 O4 Pd -","- C42 H38 Br N3 O4 Pd -","- C84 H76 Br2 N6 O8 Pd2 -","2","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Mono- and Dialkyne Insertion Reactions of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N)Pd(μ-Br)]2andcis-/trans-[κ2(C,N)Pd(Lewis Base)Br]. Scaffolds for Enlarged, Rearranged, and Zwitterionic Palladacycles through Ring Contraction cum Amine‒Imine Tautomerization","Organometallics","2014","33","12","3182","","10.1021/om500423q","","","0.71073","MoKα","","0.0254","0.0226","","","0.0529","0.054","","","","","","1.037","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083575","10.5265","0.0004","13.9731","0.0006","14.8358","0.0005","109.464","0.004","104.639","0.003","95.51","0.003","1951.43","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 Br N3 O4 Pd -","- C44 H42 Br N3 O4 Pd -","- C88 H84 Br2 N6 O8 Pd2 -","2","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Mono- and Dialkyne Insertion Reactions of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N)Pd(μ-Br)]2andcis-/trans-[κ2(C,N)Pd(Lewis Base)Br]. Scaffolds for Enlarged, Rearranged, and Zwitterionic Palladacycles through Ring Contraction cum Amine‒Imine Tautomerization","Organometallics","2014","33","12","3182","","10.1021/om500423q","","","0.71073","MoKα","","0.0461","0.0363","","","0.0895","0.0947","","","","","","1.001","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083576","11.0658","0.0004","11.1244","0.0003","15.5709","0.0004","107.386","0.003","96.465","0.002","104.561","0.003","1733.51","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H37 Br N4 O4 Pd -","- C35 H37 Br N4 O4 Pd -","- C70 H74 Br2 N8 O8 Pd2 -","2","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Mono- and Dialkyne Insertion Reactions of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N)Pd(μ-Br)]2andcis-/trans-[κ2(C,N)Pd(Lewis Base)Br]. Scaffolds for Enlarged, Rearranged, and Zwitterionic Palladacycles through Ring Contraction cum Amine‒Imine Tautomerization","Organometallics","2014","33","12","3182","","10.1021/om500423q","","","0.71073","MoKα","","0.0474","0.038","","","0.0994","0.1078","","","","","","1.087","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083577","10.049","0.002","13.25","0.003","13.454","0.003","98.473","0.004","99.449","0.005","104.876","0.004","1673.8","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H37 Br N4 O4 Pd -","- C33 H28 Br N4 O4 Pd -","- C66 H56 Br2 N8 O8 Pd2 -","2","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Mono- and Dialkyne Insertion Reactions of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N)Pd(μ-Br)]2andcis-/trans-[κ2(C,N)Pd(Lewis Base)Br]. Scaffolds for Enlarged, Rearranged, and Zwitterionic Palladacycles through Ring Contraction cum Amine‒Imine Tautomerization","Organometallics","2014","33","12","3182","","10.1021/om500423q","","","0.71073","MoKα","","0.0968","0.0674","","","0.1681","0.2222","","","","","","1.126","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083578","11.7815","0.0019","12.0487","0.0019","14.343","0.002","96.104","0.003","95.716","0.003","95.827","0.003","2001.4","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H51 Br N4 O8 Pd -","- C40 H31 Br N4 O8 Pd -","- C80 H62 Br2 N8 O16 Pd2 -","2","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Mono- and Dialkyne Insertion Reactions of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N)Pd(μ-Br)]2andcis-/trans-[κ2(C,N)Pd(Lewis Base)Br]. Scaffolds for Enlarged, Rearranged, and Zwitterionic Palladacycles through Ring Contraction cum Amine‒Imine Tautomerization","Organometallics","2014","33","12","3182","","10.1021/om500423q","","","0.71073","MoKα","","0.0725","0.0558","","","0.1513","0.1949","","","","","","1.076","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083579","27.9205","0.0008","11.6811","0.0005","25.6963","0.0007","90","","98.8","0.003","90","","8282","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H45 Br N4 O9 Pd -","- C41 H43 Br N4 O9 Pd -","- C328 H344 Br8 N32 O72 Pd8 -","8","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Mono- and Dialkyne Insertion Reactions of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N)Pd(μ-Br)]2andcis-/trans-[κ2(C,N)Pd(Lewis Base)Br]. Scaffolds for Enlarged, Rearranged, and Zwitterionic Palladacycles through Ring Contraction cum Amine‒Imine Tautomerization","Organometallics","2014","33","12","3182","","10.1021/om500423q","","","0.71073","MoKα","","0.0499","0.0425","","","0.1068","0.1118","","","","","","1.099","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083580","10.3519","0.0003","27.3732","0.0006","19.1507","0.0004","90","","104.068","0.003","90","","5263.9","0.2","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H56 Cl3 F3 N4 O13 Pd S -","- C47 H45 Cl3 F3 N4 O13 Pd S -","- C188 H180 Cl12 F12 N16 O52 Pd4 S4 -","4","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Mono- and Dialkyne Insertion Reactions of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N)Pd(μ-Br)]2andcis-/trans-[κ2(C,N)Pd(Lewis Base)Br]. Scaffolds for Enlarged, Rearranged, and Zwitterionic Palladacycles through Ring Contraction cum Amine‒Imine Tautomerization","Organometallics","2014","33","12","3182","","10.1021/om500423q","","","0.71073","MoKα","","0.0642","0.0608","","","0.1484","0.1508","","","","","","1.153","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083581","7.8302","0.0003","12.4884","0.0004","8.9607","0.0003","90","","115.263","0.005","90","","792.43","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Br2 N2 Pd -","- C14 H18 Br2 N2 Pd -","- C28 H36 Br4 N4 Pd2 -","2","0.5","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Mono- and Dialkyne Insertion Reactions of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N)Pd(μ-Br)]2andcis-/trans-[κ2(C,N)Pd(Lewis Base)Br]. Scaffolds for Enlarged, Rearranged, and Zwitterionic Palladacycles through Ring Contraction cum Amine‒Imine Tautomerization","Organometallics","2014","33","12","3182","","10.1021/om500423q","","","0.71073","MoKα","","0.0713","0.0641","","","0.203","0.2073","","","","","","1.136","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083582","7.7462","0.0013","7.8788","0.0013","7.9134","0.0014","112.729","0.003","115.371","0.002","94.726","0.003","384.27","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Br2 N2 Pd -","- C14 H18 Br2 N2 Pd -","- C14 H18 Br2 N2 Pd -","1","0.5","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Mono- and Dialkyne Insertion Reactions of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N)Pd(μ-Br)]2andcis-/trans-[κ2(C,N)Pd(Lewis Base)Br]. Scaffolds for Enlarged, Rearranged, and Zwitterionic Palladacycles through Ring Contraction cum Amine‒Imine Tautomerization","Organometallics","2014","33","12","3182","","10.1021/om500423q","","","0.71073","MoKα","","0.0333","0.0303","","","0.089","0.0982","","","","","","1.085","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083583","18.344","0.003","18.344","0.003","18.344","0.003","115.12","","115.12","","115.12","","3416.6","1","173","2","173","2","","","","","","","","3","R -3 :R","-P 3*","148","","","","- C26 H29 N5 -","- C26 H29 N5 -","- C156 H174 N30 -","6","1","","Johnson, Kevin R. D.; Kamenz, Breanne L.; Hayes, Paul G.","Bis(pyrazolyl)carbazole as a Versatile Ligand for Supporting Lutetium Alkyl and Hydride Complexes","Organometallics","2014","33","12","3005","","10.1021/om500226t","","","0.71073","MoKα","","0.0483","0.0408","","","0.1087","0.1147","","","","","","1.063","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083584","11.008","0.003","14.337","0.004","23.124","0.006","90","","90","","90","","3649.5","1.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N5 -","- C22 H21 N5 -","- C176 H168 N40 -","8","1","","Johnson, Kevin R. D.; Kamenz, Breanne L.; Hayes, Paul G.","Bis(pyrazolyl)carbazole as a Versatile Ligand for Supporting Lutetium Alkyl and Hydride Complexes","Organometallics","2014","33","12","3005","","10.1021/om500226t","","","0.71073","MoKα","","0.0711","0.0457","","","0.1166","0.1316","","","","","","1.047","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083585","15.266","0.004","15.729","0.004","17.757","0.004","101.659","0.003","105.997","0.003","95.262","0.003","3964.6","1.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H108 Lu2 N10 Si4 -","- C75 H108 Lu2 N10 Si4 -","- C150 H216 Lu4 N20 Si8 -","2","1","","Johnson, Kevin R. D.; Kamenz, Breanne L.; Hayes, Paul G.","Bis(pyrazolyl)carbazole as a Versatile Ligand for Supporting Lutetium Alkyl and Hydride Complexes","Organometallics","2014","33","12","3005","","10.1021/om500226t","","","0.71073","MoKα","","0.0511","0.0292","","","0.052","0.0572","","","","","","1.005","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083586","17.4063","0.0015","19.8347","0.0017","25.018","0.002","90","","90","","90","","8637.4","1.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C92 H104 Lu3 N15 -","- C92 H104 Lu3 N15 -","- C368 H416 Lu12 N60 -","4","1","","Johnson, Kevin R. D.; Kamenz, Breanne L.; Hayes, Paul G.","Bis(pyrazolyl)carbazole as a Versatile Ligand for Supporting Lutetium Alkyl and Hydride Complexes","Organometallics","2014","33","12","3005","","10.1021/om500226t","","","0.71073","MoKα","","0.0445","0.0307","","","0.0495","0.0528","","","","","","1.005","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083587","11.1336","0.0009","17.2498","0.0013","18.0041","0.0014","90","","90","","90","","3457.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 Fe P2 Si2 -","- C34 H46 Fe P2 Si2 -","- C136 H184 Fe4 P8 Si8 -","4","1","","Hoyt, Jordan M.; Shevlin, Michael; Margulieux, Grant W.; Krska, Shane W.; Tudge, Matthew T.; Chirik, Paul J.","Synthesis and Hydrogenation Activity of Iron Dialkyl Complexes with Chiral Bidentate Phosphines","Organometallics","2014","33","20","5781","","10.1021/om500329q","","","0.71069","MoKα","","0.0555","0.0376","","","0.0617","0.0664","","","","","","0.986","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083588","9.6538","0.0008","18.279","0.0015","10.1808","0.0008","90","","100.308","0.002","90","","1767.5","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H54 Fe P2 Si2 -","- C32 H54 Fe P2 Si2 -","- C64 H108 Fe2 P4 Si4 -","2","1","","Hoyt, Jordan M.; Shevlin, Michael; Margulieux, Grant W.; Krska, Shane W.; Tudge, Matthew T.; Chirik, Paul J.","Synthesis and Hydrogenation Activity of Iron Dialkyl Complexes with Chiral Bidentate Phosphines","Organometallics","2014","33","20","5781","","10.1021/om500329q","","","0.71073","MoKα","","0.0191","0.0178","","","0.0456","0.046","","","","","","1.027","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083589","10.0928","0.0002","15.2244","0.0003","20.1436","0.0005","90","","90","","90","","3095.2","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H50 Fe P2 Si2 -","- C26 H50 Fe P2 Si2 -","- C104 H200 Fe4 P8 Si8 -","4","1","","Hoyt, Jordan M.; Shevlin, Michael; Margulieux, Grant W.; Krska, Shane W.; Tudge, Matthew T.; Chirik, Paul J.","Synthesis and Hydrogenation Activity of Iron Dialkyl Complexes with Chiral Bidentate Phosphines","Organometallics","2014","33","20","5781","","10.1021/om500329q","","","1.54178","CuKα","","0.0241","0.0227","","","0.0542","0.0546","","","","","","0.837","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083590","9.2216","0.0003","13.1775","0.0006","30.7399","0.0012","90","","90","","90","","3735.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 Cl2 Fe2 O4 P2 -","- C36 H52 Cl2 Fe2 O4 P2 -","- C144 H208 Cl8 Fe8 O16 P8 -","4","1","","Hoyt, Jordan M.; Shevlin, Michael; Margulieux, Grant W.; Krska, Shane W.; Tudge, Matthew T.; Chirik, Paul J.","Synthesis and Hydrogenation Activity of Iron Dialkyl Complexes with Chiral Bidentate Phosphines","Organometallics","2014","33","20","5781","","10.1021/om500329q","","","1.54184","CuKα","","0.0302","0.0275","","","0.0624","0.0635","","","","","","0.847","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083591","11.7886","0.0005","21.507","0.001","11.32","0.0005","90","","111.98","0.002","90","","2661.4","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Fe N3 O6 W -","- C27 H21 Fe N3 O6 W -","- C108 H84 Fe4 N12 O24 W4 -","4","1","","Ponniah S, Joseph; Barik, Subrat Kumar; Thakur, Arunabha; Ganesamoorthi, R.; Ghosh, Sundargopal","Triazolyl Alkoxy Fischer Carbene Complexes in Conjugation with Ferrocene/Pyrene as Sensory Units: Multifunctional Chemosensors for Lead(II), Copper(II), and Zinc(II) Ions","Organometallics","2014","33","12","3096","","10.1021/om5003396","","","0.71073","MoKα","","0.0434","0.028","","","0.0562","0.0617","","","","","","1.034","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083592","34.2772","0.0014","34.2772","0.0014","14.1208","0.0006","90","","90","","120","","14368.1","1","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C25 H22 F3 N4 O3 S -","- C25 H22 F3 N4 O3 S -","- C450 H396 F54 N72 O54 S18 -","18","","","Mejuto, Carmen; Guisado-Barrios, Gregorio; Peris, Eduardo","Novel Rhodium and Iridium Complexes Coordinated toC3-Symmetric Tris-NHC Ligands Based on a 1,3,5-Triphenylbenzene Core. Electronic and Catalytic Properties","Organometallics","2014","33","12","3205","","10.1021/om500547g","","x-ray","1.54184","CuKα","","0.093","0.0765","","","0.2461","0.2626","","","","","","1.113","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083593","10.1941","0.0003","17.6476","0.0004","10.3104","0.0003","90","","101.886","0.003","90","","1815.09","0.09","200","0.1","200","0.1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C76 H96 Cl4 N8 Rh4 -","- C76 H96 Cl4 N8 Rh4 -","- C76 H96 Cl4 N8 Rh4 -","1","0.25","","Mejuto, Carmen; Guisado-Barrios, Gregorio; Peris, Eduardo","Novel Rhodium and Iridium Complexes Coordinated toC3-Symmetric Tris-NHC Ligands Based on a 1,3,5-Triphenylbenzene Core. Electronic and Catalytic Properties","Organometallics","2014","33","12","3205","","10.1021/om500547g","","","0.71073","MoKα","","0.038","0.027","","","0.0557","0.0648","","","","","","1.0798","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083594","17.23","0.002","24.499","0.002","13.4327","0.0015","90","","95.692","0.006","90","","5642.2","1","202","2","202","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C14 H19 F6 N4 O P Pd -","- C14 H16.6667 F6 N4 O P Pd -","- C168 H200 F72 N48 O12 P12 Pd12 -","12","3","","Gupta, Suraj K.; Ghorai, Debasish; Choudhury, Joyanta","A New Type of Palladium-Pincer Complexes Generated via Hydrolytic Ring-Opening of Imidazole-2-ylidenes","Organometallics","2014","33","12","3215","","10.1021/om500362x","","","0.71073","MoKα","","0.0757","0.0604","","","0.146","0.1594","","","","","","1.058","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083595","14.0258","0.0007","14.9269","0.0009","16.7575","0.0009","79.893","0.003","83.09","0.003","75.388","0.003","3331.6","0.3","200","","200","","","","","","","","Research School of Chemistry","7","P -1","-P 1","2","","","","- C59 H50 Cl3 F3 Ir O P3.5 -","- C59 H50 Cl3 F3 Ir O P3.5 -","- C118 H100 Cl6 F6 Ir2 O2 P7 -","2","1","","Cade, Ian A.; Colebatch, Annie L.; Hill, Anthony F.; Willis, Anthony C.","Allenylphosphonium Complexes of Rhodium and Iridium","Organometallics","2014","33","12","3198","","10.1021/om500450e","","","0.71073","MoKα","","0.0549","0.0444","","0.1218","0.11","0.1218","","","","","","1.0189","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083596","17.5245","0.0007","20.0599","0.0006","22.9773","0.0008","65.5999","0.0019","86.674","0.002","66.19","0.002","6672.3","0.4","200","","200","","","","","","","","local","8","P -1","-P 1","2","","","","- C59.5 H51 Br Cl3 F6 Ir O P4 -","- C59.5 H51 Br Cl3 F6 Ir O P4 -","- C238 H204 Br4 Cl12 F24 Ir4 O4 P16 -","4","2","","Cade, Ian A.; Colebatch, Annie L.; Hill, Anthony F.; Willis, Anthony C.","Allenylphosphonium Complexes of Rhodium and Iridium","Organometallics","2014","33","12","3198","","10.1021/om500450e","","","0.71073","MoKα","","0.1005","0.0565","","0.1568","0.1179","0.1568","","","","","","0.9593","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083597","13.5373","0.0002","24.4796","0.0003","17.3378","0.0002","90","","100.45","0.0007","90","","5650.24","0.13","200","","200","","","","","","","","Research School of Chemistry","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H50 Cl3 F6 P4 Rh -","- C58 H50 Cl3 F6 P4 Rh -","- C232 H200 Cl12 F24 P16 Rh4 -","4","1","","Cade, Ian A.; Colebatch, Annie L.; Hill, Anthony F.; Willis, Anthony C.","Allenylphosphonium Complexes of Rhodium and Iridium","Organometallics","2014","33","12","3198","","10.1021/om500450e","","","0.71073","MoKα","","0.0547","0.0409","","0.1066","0.0995","0.1066","","","","","","0.9889","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083598","17.199","0.003","9.4822","0.0019","20.814","0.004","90","","101.01","0.03","90","","3332","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 Ge4 Si2 -","- C24 H56 Ge4 Si2 -","- C96 H224 Ge16 Si8 -","4","0.5","","Emanuelsson, Rikard; Denisova, Aleksandra V.; Baumgartner, Judith; Ottosson, Henrik","Optimization of the Cyclic Cross-Hyperconjugation in 1,4-Ditetrelcyclohexa-2,5-dienes","Organometallics","2014","33","12","2997","","10.1021/om5001875","","","0.71073","MoKα","","0.021","0.0194","","","0.0486","0.0493","","","","","","1.064","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083599","10.759","0.012","11.174","0.013","11.767","0.013","105.087","0.019","102.28","0.019","118.293","0.018","1105","2","297","2","297","2","","","","","","","synthesis as described","5","P -1","-P 1","2","2,4,6-tris(pentafluorophenyl)-1-nitro-benzene","N,N-dioxo-2,4,6-tris(pentafluorophenyl)anilinium","","- C24 H2 F15 N O2 -","- C24 H2 F15 N O2 -","- C48 H4 F30 N2 O4 -","2","1","","Olaru, Marian; Beckmann, Jens; Raţ, Ciprian I.","Polyfluorinated Functionalizedm-Terphenyls. New Substituents and Ligands in Organometallic Synthesis","Organometallics","2014","33","12","3012","","10.1021/om500244y","","","0.71073","MoKα","","0.1097","0.0738","","","0.145","0.1589","","","","","","1.166","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083600","7.2556","0.0009","9.6106","0.0012","13.0193","0.0016","101.968","0.002","92.421","0.002","98.014","0.002","877.06","0.19","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","1-bromo-4-chloro-3,5-bis(pentafluorophenyl)-4-nitro-benzene","1-[5-bromo-2-chloro-3-(pentafluorophenyl)phenyl]-2,3,4,5,6-pentafluorobenzene","","- C18 H2 Br Cl F10 -","- C18 H2 Br Cl F10 -","- C36 H4 Br2 Cl2 F20 -","2","1","","Olaru, Marian; Beckmann, Jens; Raţ, Ciprian I.","Polyfluorinated Functionalizedm-Terphenyls. New Substituents and Ligands in Organometallic Synthesis","Organometallics","2014","33","12","3012","","10.1021/om500244y","","","0.71073","MoKα","","0.0397","0.0319","","","0.0779","0.0806","","","","","","1.03","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083601","13.6","0.008","10.698","0.007","25.474","0.016","90","","90","","90","","3706","4","297","2","297","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","1-bromo-3,5-bis(pentafluorophenyl)-4-nitro-benzene","4-bromo-N,N-dioxo-2,6-bis(pentafluorophenyl)anilinium","","- C18 H2 Br F10 N O2 -","- C18 H2 Br F10 N O2 -","- C144 H16 Br8 F80 N8 O16 -","8","1","","Olaru, Marian; Beckmann, Jens; Raţ, Ciprian I.","Polyfluorinated Functionalizedm-Terphenyls. New Substituents and Ligands in Organometallic Synthesis","Organometallics","2014","33","12","3012","","10.1021/om500244y","","","0.71073","MoKα","","0.0783","0.0536","","","0.1009","0.1094","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083602","7.9614","0.0008","12.4279","0.0013","12.8449","0.0014","98.275","0.002","96.412","0.002","108.555","0.002","1175.4","0.2","298","2","298","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","(NE)-2,4,6-tris(pentafluorophenyl)-N-(3-{[2,4,6- tris(pentafluorophenyl)phenyl]imino}butan-2-ylidene)aniline","","- C52 H10 F30 N2 -","- C52 H10 F30 N2 -","- C52 H10 F30 N2 -","1","0.5","","Olaru, Marian; Beckmann, Jens; Raţ, Ciprian I.","Polyfluorinated Functionalizedm-Terphenyls. New Substituents and Ligands in Organometallic Synthesis","Organometallics","2014","33","12","3012","","10.1021/om500244y","","","0.71073","MoKα","","0.1217","0.0861","","","0.1596","0.1736","","","","","","1.185","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083603","6.3024","0.0013","11.18","0.002","17.405","0.004","90","","90.49","0.03","90","","1226.3","0.4","173","2","173","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","dimethyl[2,4,6-tris(pentafluorophenyl)phenyl]silane","","- C26 H9 F15 Si -","- C26 H9 F15 Si -","- C52 H18 F30 Si2 -","2","1","","Olaru, Marian; Beckmann, Jens; Raţ, Ciprian I.","Polyfluorinated Functionalizedm-Terphenyls. New Substituents and Ligands in Organometallic Synthesis","Organometallics","2014","33","12","3012","","10.1021/om500244y","","","0.71073","MoKα","","0.0702","0.0406","","","0.08","0.0861","","","","","","0.888","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083604","8.6125","0.0017","12.458","0.003","9.2153","0.0018","90","","112.05","0.03","90","","916.4","0.4","297","2","297","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","1,3,5-tribromo-2-nitro-benzene","2,4,6-tribromo-N,N-dioxoanilinium","","- C6 H2 Br3 N O2 -","- C6 H2 Br3 N O2 -","- C24 H8 Br12 N4 O8 -","4","0.5","","Olaru, Marian; Beckmann, Jens; Raţ, Ciprian I.","Polyfluorinated Functionalizedm-Terphenyls. New Substituents and Ligands in Organometallic Synthesis","Organometallics","2014","33","12","3012","","10.1021/om500244y","","","0.71073","MoKα","","0.1246","0.0774","","","0.1978","0.2106","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083605","9.908","0.0008","14.835","0.0009","15.0951","0.001","90","","90","","90","","2218.8","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 Cl2 N4 Pd -","- C21 H26 Cl2 N4 Pd -","- C84 H104 Cl8 N16 Pd4 -","4","1","","Turek, Jan; Panov, Illia; Semler, Miloslav; Štěpnička, Petr; De Proft, Frank; Padělková, Zdeňka; Růžička, Aleš","Palladium(II) Complexes of 1,2,4-Triazole-BasedN-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity","Organometallics","2014","33","12","3108","","10.1021/om500342z","","","0.71073","MoKα","","0.0395","0.0281","","","0.0591","0.068","","","","","","1.211","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083606","12.89","0.0011","17.581","0.002","11.718","0.0012","90","","103.315","0.006","90","","2584.1","0.5","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 N4 O5 Pd -","- C25 H34 N4 O5 Pd -","- C100 H136 N16 O20 Pd4 -","4","1","","Turek, Jan; Panov, Illia; Semler, Miloslav; Štěpnička, Petr; De Proft, Frank; Padělková, Zdeňka; Růžička, Aleš","Palladium(II) Complexes of 1,2,4-Triazole-BasedN-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity","Organometallics","2014","33","12","3108","","10.1021/om500342z","","","0.71073","MoKα","","0.0684","0.0382","","","0.065","0.0755","","","","","","1.095","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083607","12.632","0.0009","16.2611","0.0012","11.618","0.001","90","","112.623","0.006","90","","2202.8","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Cl8 N6 O2 Pd -","- C40 H44 Cl8 N6 O2 Pd -","- C80 H88 Cl16 N12 O4 Pd2 -","2","0.5","","Turek, Jan; Panov, Illia; Semler, Miloslav; Štěpnička, Petr; De Proft, Frank; Padělková, Zdeňka; Růžička, Aleš","Palladium(II) Complexes of 1,2,4-Triazole-BasedN-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity","Organometallics","2014","33","12","3108","","10.1021/om500342z","","","0.71073","MoKα","","0.0727","0.054","","","0.1194","0.1306","","","","","","1.137","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083608","9.51","0.0007","10.025","0.0006","12.086","0.0006","89.362","0.004","68.66","0.004","72.578","0.004","1017.79","0.12","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 N6 O6 Pd -","- C42 H48 N6 O6 Pd -","- C42 H48 N6 O6 Pd -","1","0.5","","Turek, Jan; Panov, Illia; Semler, Miloslav; Štěpnička, Petr; De Proft, Frank; Padělková, Zdeňka; Růžička, Aleš","Palladium(II) Complexes of 1,2,4-Triazole-BasedN-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity","Organometallics","2014","33","12","3108","","10.1021/om500342z","","","0.71073","MoKα","","0.2139","0.1406","","","0.3214","0.4098","","","","","","1.83","","","","has coordinates,has disorder","178725","2020-10-21","18:00:00",""
"4083609","9.609","0.0008","28.226","0.003","31.973","0.003","90","","90","","90","","8671.8","1.4","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H44 Cl8 N6 Pd -","- C40 H44 Cl8 N6 Pd -","- C320 H352 Cl64 N48 Pd8 -","8","1","","Turek, Jan; Panov, Illia; Semler, Miloslav; Štěpnička, Petr; De Proft, Frank; Padělková, Zdeňka; Růžička, Aleš","Palladium(II) Complexes of 1,2,4-Triazole-BasedN-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity","Organometallics","2014","33","12","3108","","10.1021/om500342z","","","0.71073","MoKα","","0.0891","0.0614","","","0.1241","0.1392","","","","","","1.103","","","","has coordinates,has disorder","178725","2020-10-21","18:00:00",""
"4083610","18.846","0.001","10.385","0.0007","10.6921","0.001","90","","110.284","0.005","90","","1962.8","0.3","150","1","150","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H48 N6 O4 Pd -","- C42 H48 N6 O4 Pd -","- C84 H96 N12 O8 Pd2 -","2","0.5","","Turek, Jan; Panov, Illia; Semler, Miloslav; Štěpnička, Petr; De Proft, Frank; Padělková, Zdeňka; Růžička, Aleš","Palladium(II) Complexes of 1,2,4-Triazole-BasedN-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity","Organometallics","2014","33","12","3108","","10.1021/om500342z","","","0.71073","MoKα","","0.0535","0.0524","","","0.1422","0.1464","","","","","","1.082","","","","has coordinates,has disorder","178725","2020-10-21","18:00:00",""
"4083611","11.5041","0.0002","30.928","0.0006","9.1454","0.0002","90","","90","","90","","3253.92","0.11","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H48 Al Cl N2 O2 -","- C32 H48 Al Cl N2 O2 -","- C128 H192 Al4 Cl4 N8 O8 -","4","0.5","","Romain, Charles; Fliedel, Christophe; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel","NHC Bis-Phenolate Aluminum Chelates: Synthesis, Structure, and Use in Lactide and Trimethylene Carbonate Polymerization","Organometallics","2014","33","20","5730","","10.1021/om5004557","","","0.71073","MoKα","","0.0743","0.0485","","","0.1275","0.1406","","","","","","1.053","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083612","16.7066","0.0007","29.8057","0.0014","15.203","0.0007","90","","114.848","0.001","90","","6869.5","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H94 Al2 N4 O4 -","- C64 H94 Al2 N4 O4 -","- C256 H376 Al8 N16 O16 -","4","0.5","","Romain, Charles; Fliedel, Christophe; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel","NHC Bis-Phenolate Aluminum Chelates: Synthesis, Structure, and Use in Lactide and Trimethylene Carbonate Polymerization","Organometallics","2014","33","20","5730","","10.1021/om5004557","","","0.71073","MoKα","","0.0888","0.0667","","","0.2002","0.2183","","","","","","1.156","","","","has coordinates,has disorder","178725","2020-10-21","18:00:00",""
"4083613","16.2886","0.0007","11.2392","0.0006","18.5272","0.0007","90","","100.953","0.003","90","","3330","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H92 Al2 Cl4 N4 O5 -","- C64 H92 Al2 Cl4 N4 O5 -","- C128 H184 Al4 Cl8 N8 O10 -","2","0.5","","Romain, Charles; Fliedel, Christophe; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel","NHC Bis-Phenolate Aluminum Chelates: Synthesis, Structure, and Use in Lactide and Trimethylene Carbonate Polymerization","Organometallics","2014","33","20","5730","","10.1021/om5004557","","","0.71073","MoKα","","0.1262","0.0838","","","0.2219","0.2556","","","","","","1.033","","","","has coordinates,has disorder","178725","2020-10-21","18:00:00",""
"4083614","16.9777","0.0005","13.7568","0.0003","18.9188","0.0005","90","","119.408","0.002","90","","3849.29","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 Al Cl N2 O3 -","- C34 H52 Al Cl N2 O3 -","- C136 H208 Al4 Cl4 N8 O12 -","4","1","","Romain, Charles; Fliedel, Christophe; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel","NHC Bis-Phenolate Aluminum Chelates: Synthesis, Structure, and Use in Lactide and Trimethylene Carbonate Polymerization","Organometallics","2014","33","20","5730","","10.1021/om5004557","","","0.71073","MoKα","","0.0873","0.0633","","","0.1871","0.2021","","","","","","1.047","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083615","23.6363","0.0011","16.5926","0.0009","21.8659","0.001","90","","111.255","0.001","90","","7992.2","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H120 Al2 N4 O6 -","- C86 H120 Al2 N4 O6 -","- C344 H480 Al8 N16 O24 -","4","0.5","","Romain, Charles; Fliedel, Christophe; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel","NHC Bis-Phenolate Aluminum Chelates: Synthesis, Structure, and Use in Lactide and Trimethylene Carbonate Polymerization","Organometallics","2014","33","20","5730","","10.1021/om5004557","","","0.71073","MoKα","","0.0819","0.0498","","","0.1254","0.144","","","","","","1.033","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083616","12.5396","0.0003","16.8728","0.0005","22.1196","0.0007","90","","92.795","0.003","90","","4674.5","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H73 Fe N2 Ni P4 S2 -","- C41 H73 Fe N2 Ni P4 S2 -","- C164 H292 Fe4 N8 Ni4 P16 S8 -","4","1","","Rudolph, Robert; Blom, Burgert; Yao, Shenglai; Meier, Florian; Bill, Eckhard; van Gastel, Maurice; Lindenmaier, Nils; Kaupp, Martin; Driess, Matthias","Synthesis, Reactivity, and Electronic Structure of a Bioinspired Heterobimetallic [Ni(μ-S2)Fe] Complex with Disulfur Monoradical character","Organometallics","2014","33","12","3154","","10.1021/om500381t","","","0.71073","MoKα","","0.0941","0.0764","","","0.1474","0.1555","","","","","","1.089","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083617","8.894","0.005","9.756","0.005","16.809","0.005","80.959","0.005","84.527","0.005","74.36","0.005","1384.9","1.1","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C29 H29 N4 O2 P Pd S -","- C29 H29 N4 O2 P Pd S -","- C58 H58 N8 O4 P2 Pd2 S2 -","2","1","","Pereira, M. Teresa; Antelo, José M.; Adrio, Luis A.; Martínez, Javier; Ortigueira, Juan M.; López-Torres, Margarita; Vila, José M.","Novel Bidentate [N,S] Palladacycle Metalloligands.1H‒15N HMBC as a Decisive NMR Technique for the Structural Characterization of Palladium‒Rhodium and Palladium‒Palladium Bimetallic Complexes","Organometallics","2014","","","140612083847005","","10.1021/om401069a","","","0.71069","MoKα","","0.0498","0.0338","","","0.0711","0.0759","","","","","","0.848","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083618","9.663","0.005","11.932","0.005","13.589","0.005","103.13","0.005","99.996","0.005","92.067","0.005","1498","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H33 N4 O P Pd S -","- C31 H33 N4 O P Pd S -","- C62 H66 N8 O2 P2 Pd2 S2 -","2","1","","Pereira, M. Teresa; Antelo, José M.; Adrio, Luis A.; Martínez, Javier; Ortigueira, Juan M.; López-Torres, Margarita; Vila, José M.","Novel Bidentate [N,S] Palladacycle Metalloligands.1H‒15N HMBC as a Decisive NMR Technique for the Structural Characterization of Palladium‒Rhodium and Palladium‒Palladium Bimetallic Complexes","Organometallics","2014","","","140612083847005","","10.1021/om401069a","","","0.71069","MoKα","","0.0398","0.0283","","","0.0558","0.0586","","","","","","0.832","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083619","12.6747","0.0012","12.9371","0.0013","17.4291","0.0017","79.37","0.005","68.872","0.005","81.035","0.005","2607.6","0.5","293","2","293","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C54 H51 Cl2 N4 O9 P3 Pd2 S -","- C54 H51 Cl2 N4 O9 P3 Pd2 S -","- C108 H102 Cl4 N8 O18 P6 Pd4 S2 -","2","1","","Pereira, M. Teresa; Antelo, José M.; Adrio, Luis A.; Martínez, Javier; Ortigueira, Juan M.; López-Torres, Margarita; Vila, José M.","Novel Bidentate [N,S] Palladacycle Metalloligands.1H‒15N HMBC as a Decisive NMR Technique for the Structural Characterization of Palladium‒Rhodium and Palladium‒Palladium Bimetallic Complexes","Organometallics","2014","","","140612083847005","","10.1021/om401069a","","x-ray","0.71073","MoKα","","0.1236","0.068","","","0.1511","0.1856","","","","","","1.229","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083620","11.207","0.005","17.086","0.005","19.644","0.005","71.881","0.005","84.511","0.005","79.138","0.005","3508","2","100","0.1","100","0.1","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C58 H55 Cl14 N4 O10 P3 Pd2 S -","- C58 H55 Cl14 N4 O10 P3 Pd2 S -","- C116 H110 Cl28 N8 O20 P6 Pd4 S2 -","2","1","","Pereira, M. Teresa; Antelo, José M.; Adrio, Luis A.; Martínez, Javier; Ortigueira, Juan M.; López-Torres, Margarita; Vila, José M.","Novel Bidentate [N,S] Palladacycle Metalloligands.1H‒15N HMBC as a Decisive NMR Technique for the Structural Characterization of Palladium‒Rhodium and Palladium‒Palladium Bimetallic Complexes","Organometallics","2014","","","140612083847005","","10.1021/om401069a","","","0.71069","MoKα","","0.1321","0.0661","","","0.1506","0.1807","","","","","","1.051","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083621","30.8482","0.0015","9.9089","0.0004","17.3175","0.0007","90","","108.364","0.002","90","","5023.9","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H70 Mg2 N8 -","- C54 H70 Mg2 N8 -","- C216 H280 Mg8 N32 -","4","0.5","","Intemann, Julia; Lutz, Martin; Harder, Sjoerd","Multinuclear Magnesium Hydride Clusters: Selective Reduction and Catalytic Hydroboration of Pyridines","Organometallics","2014","33","20","5722","","10.1021/om500469h","","","0.71073","MoKα","","0.0377","0.0324","","","0.0845","0.0877","","","","","","1.043","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083622","17.5689","0.0005","17.9591","0.0004","18.5527","0.0007","88.951","0.002","74.838","0.002","89.377","0.002","5648.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H74 Mg2 N8 -","- C60 H74 Mg2 N8 -","- C240 H296 Mg8 N32 -","4","2","","Intemann, Julia; Lutz, Martin; Harder, Sjoerd","Multinuclear Magnesium Hydride Clusters: Selective Reduction and Catalytic Hydroboration of Pyridines","Organometallics","2014","33","20","5722","","10.1021/om500469h","","","0.71073","MoKα","","0.0707","0.0466","","","0.1127","0.1225","","","","","","1.02","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083699","14.3712","0.0006","15.1053","0.0006","14.8377","0.0006","90","","103.29","0.002","90","","3134.7","0.2","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C64 H44 F24 Li N4 O4 Y -","- C64 H44 F24 Li N4 O4 Y -","- C128 H88 F48 Li2 N8 O8 Y2 -","2","1","","Maudoux, Nicolas; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Aluminum, Indium, and Mixed Yttrium‒Lithium Complexes Supported by a Chiral Binap-Based Fluorinated Dialkoxide: Structural Features and Heteroselective ROP of Lactide","Organometallics","2014","33","20","5740","","10.1021/om500458g","","x-ray","0.71073","MoKα","","0.0762","0.0409","","","0.0723","0.0842","","","","","","0.809","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083700","11.3536","0.0013","18.838","0.002","14.376","0.0018","90","","90.602","0.007","90","","3074.6","0.6","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C32 H24 F12 N2 O2 -","- C32 H24 F12 N2 O2 -","- C128 H96 F48 N8 O8 -","4","2","","Maudoux, Nicolas; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Aluminum, Indium, and Mixed Yttrium‒Lithium Complexes Supported by a Chiral Binap-Based Fluorinated Dialkoxide: Structural Features and Heteroselective ROP of Lactide","Organometallics","2014","33","20","5740","","10.1021/om500458g","","x-ray","0.71073","MoKα","","0.1288","0.0827","","","0.2107","0.2541","","","","","","0.961","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083701","16.5466","0.0005","8.4227","0.0003","23.8578","0.0007","90","","99.529","0.003","90","","3279.11","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cl2 N2 O9 Ru S4 -","- C25 H34 Cl2 N2 O9 Ru S4 -","- C100 H136 Cl8 N8 O36 Ru4 S16 -","4","1","","Chung, Lai-Hon; Yeung, Chi-Fung; Ma, Dik-Lung; Leung, Chung-Hang; Wong, Chun-Yuen","Metal‒Indolizine Zwitterion Complexes as a New Class of Organometallic Material: a Spectroscopic and Theoretical Investigation","Organometallics","2014","","","140618160703009","","10.1021/om5003705","","","0.71073","MoKα","","0.0443","0.0367","","","0.0762","0.0804","","","","","","1.1","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083702","11.29","0.0006","12.1841","0.0007","12.927","0.0007","111.203","0.005","96.905","0.005","101.132","0.005","1591.16","0.17","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 Cl2 O7 Ru S4 -","- C28 H38 Cl2 O7 Ru S4 -","- C56 H76 Cl4 O14 Ru2 S8 -","2","1","","Chung, Lai-Hon; Yeung, Chi-Fung; Ma, Dik-Lung; Leung, Chung-Hang; Wong, Chun-Yuen","Metal‒Indolizine Zwitterion Complexes as a New Class of Organometallic Material: a Spectroscopic and Theoretical Investigation","Organometallics","2014","","","140618160703009","","10.1021/om5003705","","","0.71073","MoKα","","0.0248","0.0214","","","0.0537","0.0557","","","","","","1.024","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083703","9.792","0.003","12.655","0.004","20.222","0.008","90","","100.94","0.004","90","","2460.3","1.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 B P -","- C26 H44 B P -","- C104 H176 B4 P4 -","4","1","","Légaré, Marc-André; Bélanger-Chabot, Guillaume; De Robillard, Guillaume; Languérand, André; Maron, Laurent; Fontaine, Frédéric-Georges","Insights into the Formation of Borabenzene Adducts via Ligand Exchange Reactions and TMSCl Elimination from Boracyclohexadiene Precursors","Organometallics","2014","","","140618164232002","","10.1021/om500524j","","","0.71073","MoKα","","0.059","0.0439","","","0.112","0.1236","","","","","","1.009","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083704","8.5674","0.0012","19.329","0.003","15.794","0.002","90","","99.86","0.002","90","","2576.8","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 B N2 -","- C29 H35 B N2 -","- C116 H140 B4 N8 -","4","1","","Légaré, Marc-André; Bélanger-Chabot, Guillaume; De Robillard, Guillaume; Languérand, André; Maron, Laurent; Fontaine, Frédéric-Georges","Insights into the Formation of Borabenzene Adducts via Ligand Exchange Reactions and TMSCl Elimination from Boracyclohexadiene Precursors","Organometallics","2014","","","140618164232002","","10.1021/om500524j","","","0.71073","MoKα","","0.1573","0.0587","","","0.125","0.1706","","","","","","1.008","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083705","28.277","0.005","6.1405","0.0011","17.939","0.003","90","","126.401","0.002","90","","2507.1","0.8","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H20 B P -","- C11 H20 B P -","- C88 H160 B8 P8 -","8","1","","Légaré, Marc-André; Bélanger-Chabot, Guillaume; De Robillard, Guillaume; Languérand, André; Maron, Laurent; Fontaine, Frédéric-Georges","Insights into the Formation of Borabenzene Adducts via Ligand Exchange Reactions and TMSCl Elimination from Boracyclohexadiene Precursors","Organometallics","2014","","","140618164232002","","10.1021/om500524j","","","0.71073","MoKα","","0.0846","0.0502","","","0.1127","0.1297","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083706","13.0933","0.0005","16.262","0.0005","17.8153","0.0005","90","","90","","90","","3793.3","0.2","150","2","150","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C37 H62 B Ca N3 O -","- C37 H62 B Ca N3 O -","- C148 H248 B4 Ca4 N12 O4 -","4","1","","Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele","Stoichiometric and Catalytic Reactivity oftert-Butylamine‒Borane with Calcium Silylamides","Organometallics","2014","33","20","5716","","10.1021/om500467b","","","0.71073","MoKα","","0.0739","0.0535","","","0.1306","0.1461","","","","","","1.089","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083707","9.3985","0.0004","7.3499","0.0004","17.0003","0.0008","90","","90","","90","","1174.35","0.1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H24 B2 N2 -","- C8 H24 B2 N2 -","- C32 H96 B8 N8 -","4","0.5","","Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele","Stoichiometric and Catalytic Reactivity oftert-Butylamine‒Borane with Calcium Silylamides","Organometallics","2014","33","20","5716","","10.1021/om500467b","","","0.71073","MoKα","","0.0936","0.0688","","","0.1667","0.1833","","","","","","1.152","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083708","4.3659","0.0003","12.3208","0.0008","15.5787","0.001","90","","92.09","0.004","90","","837.44","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 B2 Ca O -","- C4 H16 B2 Ca O -","- C16 H64 B8 Ca4 O4 -","4","1","","Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele","Stoichiometric and Catalytic Reactivity oftert-Butylamine‒Borane with Calcium Silylamides","Organometallics","2014","33","20","5716","","10.1021/om500467b","","","0.71073","MoKα","","0.1557","0.1241","","","0.3206","0.343","","","","","","1.172","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083709","8.0081","0.0002","9.968","0.0002","10.1253","0.0002","78.281","0.001","69.1","0.001","88.794","0.001","738.16","0.03","110","2","110","2","","","","","","","","5","P -1","-P 1","2","jdpiii186","jdpiii186","","- C13 H20 N4 O4 Pt -","- C13 H20 N4 O4 Pt -","- C26 H40 N8 O8 Pt2 -","2","1","","Prantner, Jason D.; Kaminsky, Werner; Goldberg, Karen I.","Methylplatinum(II) and Molecular Oxygen: Oxidation to Methylplatinum(IV) in Competition with Methyl Group Transfer To Form Dimethylplatinum(IV)","Organometallics","2014","","","140619124045007","","10.1021/om500243n","","","0.71073","MoKα","","0.014","0.0128","","","0.0296","0.0299","","","","","","1.068","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083710","16.116","0.0004","26.5699","0.0006","29.9824","0.0006","90","","96.608","0.001","90","","12753.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","JDPIV3","JDPIV3","","- C100 H158 K6 N24 O16 Pt6 -","- C100 H158 K6 N24 O16 Pt6 -","- C400 H632 K24 N96 O64 Pt24 -","4","1","","Prantner, Jason D.; Kaminsky, Werner; Goldberg, Karen I.","Methylplatinum(II) and Molecular Oxygen: Oxidation to Methylplatinum(IV) in Competition with Methyl Group Transfer To Form Dimethylplatinum(IV)","Organometallics","2014","","","140619124045007","","10.1021/om500243n","","","0.71073","MoKα","","0.1264","0.0653","","","0.1206","0.148","","","","","","1.052","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083711","8.0128","0.0005","10.3613","0.0007","10.3767","0.0007","76.447","0.003","88.033","0.003","67.932","0.003","774.78","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","jdp_iv_119","jdp_iv_119","","- C14 H22 N4 O3 Pt -","- C14 H22 N4 O3 Pt -","- C28 H44 N8 O6 Pt2 -","2","1","","Prantner, Jason D.; Kaminsky, Werner; Goldberg, Karen I.","Methylplatinum(II) and Molecular Oxygen: Oxidation to Methylplatinum(IV) in Competition with Methyl Group Transfer To Form Dimethylplatinum(IV)","Organometallics","2014","","","140619124045007","","10.1021/om500243n","","","0.71073","MoKα","","0.0143","0.0131","","","0.0297","0.03","","","","","","1.044","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083712","13.6405","0.0011","8.6495","0.0007","24.464","0.002","90","","98.134","0.001","90","","2857.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 B F4 O6 P Ru -","- C25 H38 B F4 O6 P Ru -","- C100 H152 B4 F16 O24 P4 Ru4 -","4","1","","Batuecas, María; Esteruelas, Miguel A.; Garc\?ía-Yebra, Cristina; González-Rodr\?íguez, Carlos; Oñate, Enrique; Saá, Carlos","Ruthenium Hydroxycarbenes as Key Intermediates in Cycloisomerization and Decarbonylative Cyclization of Terminal Alkynals","Organometallics","2014","","","140620141406003","","10.1021/om5003864","","","0.71073","MoKα","","0.1797","0.074","","","0.1693","0.2083","","","","","","0.982","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083713","7.7896","0.001","9.1182","0.0012","18.376","0.003","82.101","0.002","86.235","0.002","79.204","0.002","1268.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H37 O6 P Ru -","- C25 H37 O6 P Ru -","- C50 H74 O12 P2 Ru2 -","2","1","","Batuecas, María; Esteruelas, Miguel A.; Garc\?ía-Yebra, Cristina; González-Rodr\?íguez, Carlos; Oñate, Enrique; Saá, Carlos","Ruthenium Hydroxycarbenes as Key Intermediates in Cycloisomerization and Decarbonylative Cyclization of Terminal Alkynals","Organometallics","2014","","","140620141406003","","10.1021/om5003864","","","0.71073","MoKα","","0.0458","0.0352","","","0.0806","0.0867","","","","","","1.036","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083714","10.1507","0.0006","11.9179","0.0007","13.5196","0.0007","98.833","0.002","94.998","0.002","114.782","0.002","1446.24","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H31 Cl N2 O2 P2 Pd -","- C26 H31 Cl N2 O2 P2 Pd -","- C52 H62 Cl2 N4 O4 P4 Pd2 -","2","1","","Chang, Yu-Chang; Chang, Wei-Chan; Hu, Chan-Yu; Hong, Fung-E","Alkyl(quinolin-8-yl)phosphine Oxides as Hemilabile Preligands for Palladium-Catalyzed Reactions","Organometallics","2014","","","140623071055007","","10.1021/om5004286","","x-ray","0.71073","MoKα","","0.0294","0.0274","","","0.0801","0.0829","","","","","","0.987","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083715","12.149","0.005","13.962","0.005","16.151","0.006","104.042","0.007","112.074","0.006","100.911","0.007","2340","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.5 H34 Cl2 O3 P2 Pd -","- C18.5 H34 Cl2 O3 P2 Pd -","- C74 H136 Cl8 O12 P8 Pd4 -","4","2","","Contrella, Nathan D.; Sampson, Jessica R.; Jordan, Richard F.","Copolymerization of Ethylene and Methyl Acrylate by Cationic Palladium Catalysts That Contain Phosphine-Diethyl Phosphonate Ancillary Ligands","Organometallics","2014","","","140623145555006","","10.1021/om5004489","","","0.71073","MoKα","","0.0625","0.0444","","","0.0784","0.0819","","","","","","0.901","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083716","14.542","0.007","13.03","0.006","19.49","0.007","90","","124.79","0.02","90","","3033","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 F6 N O3 P2 Pd Sb -","- C25 H42 F6 N O3 P2 Pd Sb -","- C100 H168 F24 N4 O12 P8 Pd4 Sb4 -","4","1","","Contrella, Nathan D.; Sampson, Jessica R.; Jordan, Richard F.","Copolymerization of Ethylene and Methyl Acrylate by Cationic Palladium Catalysts That Contain Phosphine-Diethyl Phosphonate Ancillary Ligands","Organometallics","2014","","","140623145555006","","10.1021/om5004489","","","0.71073","MoKα","","0.0577","0.043","","","0.0825","0.0858","","","","","","1.012","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083717","9.912","0.004","11.513","0.005","14.292","0.006","90.576","0.008","98.52","0.008","94.955","0.008","1606.5","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H34 F6 N O3 P2 Pd Sb -","- C30 H34 F6 N O3 P2 Pd Sb -","- C60 H68 F12 N2 O6 P4 Pd2 Sb2 -","2","1","","Contrella, Nathan D.; Sampson, Jessica R.; Jordan, Richard F.","Copolymerization of Ethylene and Methyl Acrylate by Cationic Palladium Catalysts That Contain Phosphine-Diethyl Phosphonate Ancillary Ligands","Organometallics","2014","","","140623145555006","","10.1021/om5004489","","","0.71073","MoKα","","0.0804","0.058","","","0.1362","0.1457","","","","","","0.967","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083718","26.0765","0.0011","10.245","0.0005","13.4739","0.0006","90","","90","","90","","3599.6","0.3","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C32 H40 F6 N O5 P2 Pd Sb -","- C32 H40 F6 N O5 P2 Pd Sb -","- C128 H160 F24 N4 O20 P8 Pd4 Sb4 -","4","1","","Contrella, Nathan D.; Sampson, Jessica R.; Jordan, Richard F.","Copolymerization of Ethylene and Methyl Acrylate by Cationic Palladium Catalysts That Contain Phosphine-Diethyl Phosphonate Ancillary Ligands","Organometallics","2014","","","140623145555006","","10.1021/om5004489","","","0.71073","MoKα","","0.0483","0.0322","","","0.0574","0.0613","","","","","","1.039","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083719","9.946","0.004","10.195","0.004","19.46","0.007","94.449","0.006","91.8","0.007","111.559","0.006","1825.8","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H46 Cl3 O6 P3 Pd -","- C32 H46 Cl3 O6 P3 Pd -","- C64 H92 Cl6 O12 P6 Pd2 -","2","1","","Contrella, Nathan D.; Sampson, Jessica R.; Jordan, Richard F.","Copolymerization of Ethylene and Methyl Acrylate by Cationic Palladium Catalysts That Contain Phosphine-Diethyl Phosphonate Ancillary Ligands","Organometallics","2014","","","140623145555006","","10.1021/om5004489","","","0.71073","MoKα","","0.0665","0.0489","","","0.1043","0.1092","","","","","","0.983","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083720","9.5868","0.0002","18.1803","0.0004","26.8252","0.0007","90","","92.148","0.001","90","","4672.1","0.19","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H53 Fe P3 Se -","- C56 H53 Fe P3 Se -","- C224 H212 Fe4 P12 Se4 -","4","1","","Tohmé, Ayham; Sahnoune, Hiba; Roisnel, Thierry; Dorcet, Vincent; Halet, Jean-François; Paul, Frédéric","Selenophosphine Derivatives with Pendant Electron-Rich Fe(κ2-dppe)(η5-C5Me5)C≡C‒ Substituents","Organometallics","2014","","","140623083706006","","10.1021/om500211e","","x-ray","0.71073","MoKα","","0.0582","0.0374","","","0.0845","0.0919","","","","","","1.02","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083721","8.9259","0.0003","29.86","0.0012","19.2411","0.0008","90","","102.103","0.002","90","","5014.3","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 Cl2 Fe P3 Se -","- C57 H55 Cl2 Fe P3 Se -","- C228 H220 Cl8 Fe4 P12 Se4 -","4","1","","Tohmé, Ayham; Sahnoune, Hiba; Roisnel, Thierry; Dorcet, Vincent; Halet, Jean-François; Paul, Frédéric","Selenophosphine Derivatives with Pendant Electron-Rich Fe(κ2-dppe)(η5-C5Me5)C≡C‒ Substituents","Organometallics","2014","","","140623083706006","","10.1021/om500211e","","x-ray","0.71073","MoKα","","0.0807","0.0489","","","0.1141","0.1278","","","","","","1.029","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083722","10.571","0.0003","17.2332","0.0005","33.7807","0.001","90","","92.026","0.001","90","","6150.1","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 c 1","P -2yc","7","","","","- C132 H129 Fe3 P7 Se -","- C132 H129 Fe3 P7 Se -","- C264 H258 Fe6 P14 Se2 -","2","1","","Tohmé, Ayham; Sahnoune, Hiba; Roisnel, Thierry; Dorcet, Vincent; Halet, Jean-François; Paul, Frédéric","Selenophosphine Derivatives with Pendant Electron-Rich Fe(κ2-dppe)(η5-C5Me5)C≡C‒ Substituents","Organometallics","2014","","","140623083706006","","10.1021/om500211e","","x-ray","0.71073","MoKα","","0.0934","0.0757","","","0.1955","0.2073","","","","","","1.016","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083723","26.3237","0.0008","26.3237","","26.9985","0.0009","90","","90","","120","","16201.8","0.7","150","2","150","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C132 H129 Fe3 P7 Se -","- C132 H129 Fe3 P7 Se -","- C792 H774 Fe18 P42 Se6 -","6","0.333333","","Tohmé, Ayham; Sahnoune, Hiba; Roisnel, Thierry; Dorcet, Vincent; Halet, Jean-François; Paul, Frédéric","Selenophosphine Derivatives with Pendant Electron-Rich Fe(κ2-dppe)(η5-C5Me5)C≡C‒ Substituents","Organometallics","2014","","","140623083706006","","10.1021/om500211e","","x-ray","0.71073","MoKα","","0.1033","0.059","","","0.1523","0.1797","","","","","","1.024","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083724","42.639","0.002","8.6552","0.0003","24.8723","0.0013","90","","111.703","0.002","90","","8528.4","0.7","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H49 Fe P3 Se -","- C50 H49 Fe P3 Se -","- C400 H392 Fe8 P24 Se8 -","8","1","","Tohmé, Ayham; Sahnoune, Hiba; Roisnel, Thierry; Dorcet, Vincent; Halet, Jean-François; Paul, Frédéric","Selenophosphine Derivatives with Pendant Electron-Rich Fe(κ2-dppe)(η5-C5Me5)C≡C‒ Substituents","Organometallics","2014","","","140623083706006","","10.1021/om500211e","","x-ray","0.71073","MoKα","","0.0617","0.0389","","","0.0865","0.0965","","","","","","1.024","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083725","24.975","0.005","17.25","0.004","10.277","0.002","90","","91.71","0.03","90","","4425.6","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 Fe P -","- C24 H37 Fe P -","- C192 H296 Fe8 P8 -","8","2","","Khozeimeh Sarbisheh, Elaheh; Green, Jennifer C.; Müller, Jens","Isomerization of an Enantiomerically Pure Phosphorus-Bridged [1]Ferrocenophane","Organometallics","2014","","","140623081557009","","10.1021/om500424m","","","0.68878","Synchrotron","","0.0385","0.0341","","","0.0904","0.093","","","","","","1.028","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083726","11.2733","0.0004","13.0163","0.0005","17.8311","0.0007","82.66","0.001","80.16","0.001","84.011","0.001","2547.73","0.17","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C98 H82 Cl12 I2 N14 Ni2 O2 Pd -","- C98 H82 Cl12 I2 N14 Ni2 O2 Pd -","- C98 H82 Cl12 I2 N14 Ni2 O2 Pd -","1","0.5","","Haumesser, Julien; Gisselbrecht, Jean-Paul; Karmazin-Brelot, Lydia; Bailly, Corinne; Weiss, Jean; Ruppert, Romain","Synthesis and Electrochemical Studies of Porphyrin Dimers Linked by Metallocarbenes","Organometallics","2014","33","18","4923","","10.1021/om5002099","","","0.71073","MoKα","","0.072","0.0506","","","0.1342","0.1535","","","","","","1.061","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083727","11.408","0.0005","21.0641","0.0008","30.1038","0.0014","90","","90","","90","","7233.9","0.5","147","2","147","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Fe N4 O6.5 -","- C40 H40 Fe N4 O6.5 -","- C320 H320 Fe8 N32 O52 -","8","2","","Adhikari, Bimalendu; Lough, Alan J.; Barker, Bryan; Shah, Afzal; Xiang, Cuili; Kraatz, Heinz-Bernhard","Bis-amino Acid Derivatives of 1,1′-Ferrocenedicarboxylic Acid: Structural, Electrochemical, and Metal Ion Binding Studies","Organometallics","2014","33","18","4873","","10.1021/om500032p","","","1.54178","CuKα","","0.0441","0.042","","","0.1167","0.1178","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083728","11.4726","0.001","21.0218","0.0018","30.25","0.003","90","","90","","90","","7295.5","1.1","147","2","147","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Fe N4 O6.5 -","- C40 H40 Fe N4 O6.5 -","- C320 H320 Fe8 N32 O52 -","8","2","","Adhikari, Bimalendu; Lough, Alan J.; Barker, Bryan; Shah, Afzal; Xiang, Cuili; Kraatz, Heinz-Bernhard","Bis-amino Acid Derivatives of 1,1′-Ferrocenedicarboxylic Acid: Structural, Electrochemical, and Metal Ion Binding Studies","Organometallics","2014","33","18","4873","","10.1021/om500032p","","","0.71073","MoKα","","0.0715","0.0604","","","0.1561","0.1635","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083729","9.9084","0.0011","11.4654","0.0013","10.2073","0.0011","90","","100.555","0.002","90","","1140","0.2","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 Fe N2 O8 -","- C22 H28 Fe N2 O8 -","- C44 H56 Fe2 N4 O16 -","2","1","","Adhikari, Bimalendu; Lough, Alan J.; Barker, Bryan; Shah, Afzal; Xiang, Cuili; Kraatz, Heinz-Bernhard","Bis-amino Acid Derivatives of 1,1′-Ferrocenedicarboxylic Acid: Structural, Electrochemical, and Metal Ion Binding Studies","Organometallics","2014","33","18","4873","","10.1021/om500032p","","","0.71073","MoKα","","0.0183","0.0178","","","0.0485","0.0488","","","","","","1.043","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083730","8.7662","0.001","9.9525","0.001","12.7874","0.0013","83.628","0.003","87.825","0.003","74.482","0.003","1068.3","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C46 H56 N4 O4 -","2","1","","Li, Jing; Noyori, Shintaro; Nakajima, Kiyohiko; Nishihara, Yasushi","New Entry to the Synthesis of α-Iminonitriles by Lewis Acid Mediated Isomerization of Cyano-Substituted Iminoisobenzofurans Prepared by Palladium-Catalyzed Three-Component Coupling of Arynes, Isocyanides, and Cyanoformates","Organometallics","2014","","","140623114450000","","10.1021/om500408h","","","0.71075","MoKα","","0.2341","0.0858","","","0.1763","0.2387","","","","","","1.007","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083731","16.657","0.0003","8.0848","0.0002","27.9824","0.0005","90","","90","","90","","3768.35","0.13","298","","298","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C152 H208 N16 O16 -","8","1","","Li, Jing; Noyori, Shintaro; Nakajima, Kiyohiko; Nishihara, Yasushi","New Entry to the Synthesis of α-Iminonitriles by Lewis Acid Mediated Isomerization of Cyano-Substituted Iminoisobenzofurans Prepared by Palladium-Catalyzed Three-Component Coupling of Arynes, Isocyanides, and Cyanoformates","Organometallics","2014","","","140623114450000","","10.1021/om500408h","","","0.71075","MoKα","","0.0955","0.0678","","","0.1587","0.1738","","","","","","1.098","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083732","12.201","0.002","17.707","0.004","13.076","0.003","90","","90.59","0.03","90","","2824.8","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ir-pdt-bpmc","","","- C26.75 H29 Br Ir N8 O3.75 -","- C26.75 H22 Br Ir N8 O3.75 -","- C107 H88 Br4 Ir4 N32 O15 -","4","1","","Chen, Fang-Fang; Wei, Hui-Bo; Bian, Zu-Qiang; Liu, Zhi-Wei; Ma, En; Chen, Zhong-Ning; Huang, Chun-Hui","Sensitized Near-Infrared Emission from IrIII-LnIII(Ln = Nd, Yb, Er) Bimetallic Complexes with a (N∧O)(N∧O) Bridging Ligand","Organometallics","2014","","","140625135042003","","10.1021/om401110k","","","0.71073","MoKα","","0.0377","0.0323","","","0.0792","0.0814","","","","","","0.99","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083733","12.981","0.003","13.145","0.003","20.319","0.004","105.13","0.03","90.93","0.03","90.59","0.03","3346.1","1.4","113","2","113","2","","","","","","","","10","P -1","-P 1","2","Ir-pdt-bpmc-Er-TTA","","","- C52.5 H41 Br Cl7 Er F9 Ir N8 O8 S3 -","- C52.5 H41 Br Cl7 Er F9 Ir N8 O8 S3 -","- C105 H82 Br2 Cl14 Er2 F18 Ir2 N16 O16 S6 -","2","1","","Chen, Fang-Fang; Wei, Hui-Bo; Bian, Zu-Qiang; Liu, Zhi-Wei; Ma, En; Chen, Zhong-Ning; Huang, Chun-Hui","Sensitized Near-Infrared Emission from IrIII-LnIII(Ln = Nd, Yb, Er) Bimetallic Complexes with a (N∧O)(N∧O) Bridging Ligand","Organometallics","2014","","","140625135042003","","10.1021/om401110k","","","0.71073","MoKα","","0.0634","0.0535","","","0.1383","0.1476","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083734","12.832","0.003","15.03","0.003","18.263","0.004","83.75","0.03","84.58","0.03","69.71","0.03","3278","1.4","113","2","113","2","","","","","","","","10","P -1","-P 1","2","Ir-pdt-bpmc-Gd-TTA","","","- C52.5 H41 Br Cl7 F9 Gd Ir N8 O8 S3 -","- C52.5 H38 Br Cl7 F9 Gd Ir N8 O8 S3 -","- C105 H76 Br2 Cl14 F18 Gd2 Ir2 N16 O16 S6 -","2","1","","Chen, Fang-Fang; Wei, Hui-Bo; Bian, Zu-Qiang; Liu, Zhi-Wei; Ma, En; Chen, Zhong-Ning; Huang, Chun-Hui","Sensitized Near-Infrared Emission from IrIII-LnIII(Ln = Nd, Yb, Er) Bimetallic Complexes with a (N∧O)(N∧O) Bridging Ligand","Organometallics","2014","","","140625135042003","","10.1021/om401110k","","","0.71073","MoKα","","0.0624","0.0506","","","0.1269","0.1369","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083735","12.965","0.003","13.094","0.003","20.634","0.004","105.29","0.03","91.69","0.03","91.77","0.03","3374.7","1.4","113","2","113","2","","","","","","","","10","P -1","-P 1","2","Ir-pdt-bpmc-Nd-TTA","","","- C52.5 H41 Br Cl7 F9 Ir N8 Nd O8 S3 -","- C52.5 H41 Br Cl7 F9 Ir N8 Nd O8 S3 -","- C105 H82 Br2 Cl14 F18 Ir2 N16 Nd2 O16 S6 -","2","1","","Chen, Fang-Fang; Wei, Hui-Bo; Bian, Zu-Qiang; Liu, Zhi-Wei; Ma, En; Chen, Zhong-Ning; Huang, Chun-Hui","Sensitized Near-Infrared Emission from IrIII-LnIII(Ln = Nd, Yb, Er) Bimetallic Complexes with a (N∧O)(N∧O) Bridging Ligand","Organometallics","2014","","","140625135042003","","10.1021/om401110k","","","0.71073","MoKα","","0.0606","0.0519","","","0.134","0.1402","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083736","10.729","0.0005","13.9982","0.0008","20.103","0.001","90","","103.084","0.006","90","","2940.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N4 O8 Pd2 -","- C28 H28 N4 O8 Pd2 -","- C112 H112 N16 O32 Pd8 -","4","1","","Cocco, Fabio; Zucca, Antonio; Stoccoro, Sergio; Serratrice, Maria; Guerri, Annalisa; Cinellu, Maria A.","Synthesis and Characterization of Palladium(II) and Platinum(II) Adducts and Cyclometalated Complexes of 6,6′-Dimethoxy-2,2′-bipyridine: C(sp3)‒H and C(sp2)‒H Bond Activations","Organometallics","2014","","","140624160931008","","10.1021/om5003057","","","0.71069","MoKα","","0.0566","0.0368","","","0.078","0.0923","","","","","","1.043","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083737","10.8035","0.0004","16.0885","0.0007","11.419","0.0004","90","","103.92","0.004","90","","1926.47","0.13","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cl3 N2 O3 Pt1.5 S -","- C14 H18 Cl3 N2 O3 Pt1.5 S -","- C56 H72 Cl12 N8 O12 Pt6 S4 -","4","1","","Cocco, Fabio; Zucca, Antonio; Stoccoro, Sergio; Serratrice, Maria; Guerri, Annalisa; Cinellu, Maria A.","Synthesis and Characterization of Palladium(II) and Platinum(II) Adducts and Cyclometalated Complexes of 6,6′-Dimethoxy-2,2′-bipyridine: C(sp3)‒H and C(sp2)‒H Bond Activations","Organometallics","2014","","","140624160931008","","10.1021/om5003057","","","0.71069","MoKα","","0.0687","0.041","","","0.0564","0.0665","","","","","","0.953","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083738","43.141","0.008","9.2291","0.0018","21.136","0.005","90","","107.892","0.012","90","","8008","3","198","2","198","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","wb31jul13","","","- C43 H45 Mo N4 P3 -","- C43 H45 Mo N4 P3 -","- C344 H360 Mo8 N32 P24 -","8","1","","Hanna, Brian S.; MacIntosh, Alex D.; Ahn, Steven; Tyler, Brian T.; Palmore, G. Tayhas R.; Williard, Paul G.; Bernskoetter, Wesley H.","Ancillary Ligand Effects on Carbon Dioxide-Ethylene Coupling at Zerovalent Molybdenum","Organometallics","2014","","","140625141928007","","10.1021/om500324h","","","0.71073","","","0.104","0.088","","","0.1958","0.204","","","","","","1.194","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083739","14.973","0.0002","16.465","0.0002","17.081","0.0002","90","","96.643","0.001","90","","4182.71","0.09","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 B0.5 Cu0.5 F2 N2 -","- C22 H28 B0.5 Cu0.5 F2 N2 -","- C176 H224 B4 Cu4 F16 N16 -","8","1","","Collins, Lee R.; Rookes, Thomas M.; Mahon, Mary F.; Riddlestone, Ian M.; Whittlesey, Michael K.","Use of Ring-Expanded Diamino- and Diamidocarbene Ligands in Copper Catalyzed Azide‒Alkyne “Click” Reactions","Organometallics","2014","33","20","5882","","10.1021/om5004732","","","0.71073","MoKα","","0.0561","0.0421","","","0.0999","0.107","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083740","17.412","0.0004","10.642","0.0003","20.469","0.0005","90","","111.348","0.001","90","","3532.63","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 B Cu F4 N4 -","- C38 H44 B Cu F4 N4 -","- C152 H176 B4 Cu4 F16 N16 -","4","1","","Collins, Lee R.; Rookes, Thomas M.; Mahon, Mary F.; Riddlestone, Ian M.; Whittlesey, Michael K.","Use of Ring-Expanded Diamino- and Diamidocarbene Ligands in Copper Catalyzed Azide‒Alkyne “Click” Reactions","Organometallics","2014","33","20","5882","","10.1021/om5004732","","","0.71073","MoKα","","0.1053","0.0753","","","0.1744","0.1893","","","","","","1.085","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083741","12.145","0.0001","17.81","0.0002","21.138","0.0002","90","","90","","90","","4572.2","0.08","150","2","150","2","","","","","","","","7","P b c 21","P 2c -2b","29","","","","- C47 H62 B Cl2 Cu F4 N4 -","- C47 H62 B Cl2 Cu F4 N4 -","- C188 H248 B4 Cl8 Cu4 F16 N16 -","4","1","","Collins, Lee R.; Rookes, Thomas M.; Mahon, Mary F.; Riddlestone, Ian M.; Whittlesey, Michael K.","Use of Ring-Expanded Diamino- and Diamidocarbene Ligands in Copper Catalyzed Azide‒Alkyne “Click” Reactions","Organometallics","2014","33","20","5882","","10.1021/om5004732","","","0.71073","MoKα","","0.0531","0.039","","","0.0885","0.0951","","","","","","1.009","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083742","11.9919","0.0004","12.421","0.0005","17.8817","0.0005","98.958","0.003","97.484","0.003","118.856","0.004","2238.45","0.17","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H44 Cl2 F6 N O2 P3 Ru -","- C49 H44 Cl2 F6 N O2 P3 Ru -","- C98 H88 Cl4 F12 N2 O4 P6 Ru2 -","2","1","","Hsu, Hsin-Tzu; Tsai, Fu-Yuan; Lin, Ying-Chih; Liu, Yi-Hong","Coupling Reactions ofN-Propargyl Semi-Salen Compounds Induced by Ruthenium Complex","Organometallics","2014","","","140626123150006","","10.1021/om500268x","","","0.71073","MoKα","","0.0448","0.0341","","","0.0761","0.0819","","","","","","1.004","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083743","13.1363","0.0002","13.0928","0.0002","12.819","0.0002","90","","92.237","0.001","90","","2203.07","0.06","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Si Zr -","- C23 H26 Si Zr -","- C92 H104 Si4 Zr4 -","4","1","","Podiyanachari, Santhosh Kumar; Bender, Georg; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Catalytic Formation of Five-Membered Zirconacycloallenoids and Their Reaction with Carbon Dioxide","Organometallics","2014","","","140626102055005","","10.1021/om500399w","","","0.71073","MoKα","","0.0466","0.0387","","","0.0788","0.0838","","","","","","1.079","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083744","15.0935","0.0002","7.9574","0.0001","18.5352","0.0003","90","","112.727","0.001","90","","2053.32","0.05","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Si Zr -","- C23 H26 Si Zr -","- C92 H104 Si4 Zr4 -","4","1","","Podiyanachari, Santhosh Kumar; Bender, Georg; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Catalytic Formation of Five-Membered Zirconacycloallenoids and Their Reaction with Carbon Dioxide","Organometallics","2014","","","140626102055005","","10.1021/om500399w","","","0.71073","MoKα","","0.0525","0.0435","","","0.0968","0.1032","","","","","","1.07","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083745","13.0703","0.0002","22.0943","0.0003","15.1528","0.0002","90","","91.772","0.001","90","","4373.72","0.11","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Si2 Zr -","- C20 H30 Si2 Zr -","- C160 H240 Si16 Zr8 -","8","2","","Podiyanachari, Santhosh Kumar; Bender, Georg; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Catalytic Formation of Five-Membered Zirconacycloallenoids and Their Reaction with Carbon Dioxide","Organometallics","2014","","","140626102055005","","10.1021/om500399w","","","0.71073","MoKα","","0.0516","0.0425","","","0.0949","0.1006","","","","","","1.063","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083746","13.1441","0.0001","21.5891","0.0003","15.0145","0.0002","90","","92.653","0.001","90","","4256.09","0.09","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Si Zr -","- C21 H30 Si Zr -","- C168 H240 Si8 Zr8 -","8","2","","Podiyanachari, Santhosh Kumar; Bender, Georg; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Catalytic Formation of Five-Membered Zirconacycloallenoids and Their Reaction with Carbon Dioxide","Organometallics","2014","","","140626102055005","","10.1021/om500399w","","","0.71073","MoKα","","0.0516","0.0433","","","0.0933","0.0997","","","","","","1.055","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083747","46.6268","0.0006","11.0493","0.0002","22.4474","0.0004","90","","116.259","0.001","90","","10371.3","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54.5 H72 O4 Si2 Zr2 -","- C54.5 H72 O4 Si2 Zr2 -","- C436 H576 O32 Si16 Zr16 -","8","1","","Podiyanachari, Santhosh Kumar; Bender, Georg; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Catalytic Formation of Five-Membered Zirconacycloallenoids and Their Reaction with Carbon Dioxide","Organometallics","2014","","","140626102055005","","10.1021/om500399w","","","0.71073","MoKα","","0.0857","0.0541","","","0.1044","0.1188","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083748","9.1545","0.0002","10.6089","0.0003","13.1114","0.0004","76.948","0.001","73.635","0.001","83.561","0.001","1188.61","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H56 Cl4 O4 Zr2 -","- C52 H56 Cl4 O4 Zr2 -","- C52 H56 Cl4 O4 Zr2 -","1","0.5","","Podiyanachari, Santhosh Kumar; Bender, Georg; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Catalytic Formation of Five-Membered Zirconacycloallenoids and Their Reaction with Carbon Dioxide","Organometallics","2014","","","140626102055005","","10.1021/om500399w","","","0.71073","MoKα","","0.0474","0.0437","","","0.1097","0.1128","","","","","","1.087","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083749","8.5167","0.0002","9.1715","0.0002","26.6454","0.0006","90","","92.792","0.002","90","","2078.83","0.08","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 O2 Zr -","- C20 H24 O2 Zr -","- C80 H96 O8 Zr4 -","4","1","","Podiyanachari, Santhosh Kumar; Bender, Georg; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Catalytic Formation of Five-Membered Zirconacycloallenoids and Their Reaction with Carbon Dioxide","Organometallics","2014","","","140626102055005","","10.1021/om500399w","","","0.71073","MoKα","","0.0681","0.0629","","","0.1648","0.1684","","","","","","1.101","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083750","17.5317","0.0019","17.297","0.0018","17.9344","0.0019","90","","115.79","0.0012","90","","4896.8","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cmpd1","cmpd1","","- C21 H41 Mo N3 Si -","- C21 H41 Mo N3 Si -","- C168 H328 Mo8 N24 Si8 -","8","2","","Yonke, Brendan L.; Reeds, Jonathan P.; Fontaine, Philip P.; Zavalij, Peter Y.; Sita, Lawrence R.","Catalytic Production of Isocyanates via Orthogonal Atom and Group Transfers Employing a Shared Formal Group 6 M(II)/M(IV) Redox Cycle","Organometallics","2014","","","140626135101001","","10.1021/om500532s","","","0.71073","MoKα","","0.038","0.0327","","","0.0769","0.0797","","","","","","1","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083751","17.5169","0.0012","17.2304","0.0012","17.9641","0.0012","90","","115.663","0.0009","90","","4887.2","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cmpd2","cmpd2","","- C21 H41 N3 Si W -","- C21 H41 N3 Si W -","- C168 H328 N24 Si8 W8 -","8","2","","Yonke, Brendan L.; Reeds, Jonathan P.; Fontaine, Philip P.; Zavalij, Peter Y.; Sita, Lawrence R.","Catalytic Production of Isocyanates via Orthogonal Atom and Group Transfers Employing a Shared Formal Group 6 M(II)/M(IV) Redox Cycle","Organometallics","2014","","","140626135101001","","10.1021/om500532s","","","0.71073","MoKα","","0.0447","0.0292","","","0.0553","0.0593","","","","","","0.999","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083752","17.3463","0.0007","14.9955","0.0006","9.0807","0.0004","90","","90","","90","","2362.04","0.17","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","cmpd3","cmpd3","","- C22 H41 Mo N3 -","- C22 H41 Mo N3 -","- C88 H164 Mo4 N12 -","4","0.5","","Yonke, Brendan L.; Reeds, Jonathan P.; Fontaine, Philip P.; Zavalij, Peter Y.; Sita, Lawrence R.","Catalytic Production of Isocyanates via Orthogonal Atom and Group Transfers Employing a Shared Formal Group 6 M(II)/M(IV) Redox Cycle","Organometallics","2014","","","140626135101001","","10.1021/om500532s","","","0.71073","MoKα","","0.0191","0.0176","","","0.0392","0.0398","","","","","","1","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083753","17.3012","0.0015","14.9156","0.0013","9.1426","0.0008","90","","90","","90","","2359.3","0.4","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","cmpd4","cmpd4","","- C22 H41 N3 W -","- C22 H41 N3 W -","- C88 H164 N12 W4 -","4","0.5","","Yonke, Brendan L.; Reeds, Jonathan P.; Fontaine, Philip P.; Zavalij, Peter Y.; Sita, Lawrence R.","Catalytic Production of Isocyanates via Orthogonal Atom and Group Transfers Employing a Shared Formal Group 6 M(II)/M(IV) Redox Cycle","Organometallics","2014","","","140626135101001","","10.1021/om500532s","","","0.71073","MoKα","","0.0228","0.0192","","","0.0418","0.0429","","","","","","1","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083754","9.8927","0.0007","18.1845","0.0013","14.2939","0.001","90","","92.2889","0.001","90","","2569.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","cmpd13","cmpd13","","- C23 H41 N3 O2 Si W -","- C23 H41 N3 O2 Si W -","- C92 H164 N12 O8 Si4 W4 -","4","1","","Yonke, Brendan L.; Reeds, Jonathan P.; Fontaine, Philip P.; Zavalij, Peter Y.; Sita, Lawrence R.","Catalytic Production of Isocyanates via Orthogonal Atom and Group Transfers Employing a Shared Formal Group 6 M(II)/M(IV) Redox Cycle","Organometallics","2014","","","140626135101001","","10.1021/om500532s","","","0.71073","MoKα","","0.0214","0.0182","","","0.0382","0.0391","","","","","","1","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083755","8.7965","0.0007","9.5886","0.0008","15.9747","0.0014","80.34","0.001","79.043","0.001","71.122","0.001","1243.46","0.18","150","2","150","2","","","","","","","","5","P 1","P 1","1","cmpd14","cmpd14","","- C24 H41 N3 O2 W -","- C24 H41 N3 O2 W -","- C48 H82 N6 O4 W2 -","2","2","","Yonke, Brendan L.; Reeds, Jonathan P.; Fontaine, Philip P.; Zavalij, Peter Y.; Sita, Lawrence R.","Catalytic Production of Isocyanates via Orthogonal Atom and Group Transfers Employing a Shared Formal Group 6 M(II)/M(IV) Redox Cycle","Organometallics","2014","","","140626135101001","","10.1021/om500532s","","","0.71073","MoKα","","0.061","0.0464","","","0.0967","0.1088","","","","","","1","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083756","14.5544","0.0006","15.7135","0.0006","19.3095","0.0007","90","","90","","90","","4416.1","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cmpd15","cmpd15","","- C21 H35 Mo N3 O -","- C21 H35 Mo N3 O -","- C168 H280 Mo8 N24 O8 -","8","1","","Yonke, Brendan L.; Reeds, Jonathan P.; Fontaine, Philip P.; Zavalij, Peter Y.; Sita, Lawrence R.","Catalytic Production of Isocyanates via Orthogonal Atom and Group Transfers Employing a Shared Formal Group 6 M(II)/M(IV) Redox Cycle","Organometallics","2014","","","140626135101001","","10.1021/om500532s","","","0.71073","MoKα","","0.0237","0.02","","","0.0437","0.045","","","","","","1","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083757","17.874","0.002","18.164","0.002","21.06","0.003","90","","90","","90","","6837.4","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H47 Fe O P Sn -","- C36 H47 Fe O P Sn -","- C288 H376 Fe8 O8 P8 Sn8 -","8","1","","Mampa, Richard M.; Fernandes, Manuel A.; Carlton, Laurence","Iron-57 NMR and Structural Study of [Fe(η5-Cp)(SnPh3)(CO)(PR3)] (PR3= Phosphine, Phosphite). Separation of Steric and Electronic σ and π Effects","Organometallics","2014","","","140626113119005","","10.1021/om4011593","","","0.71073","MoKα","","0.0674","0.0488","","","0.1261","0.1445","","","","","","1.037","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083758","10.434","0.003","11.587","0.003","17.538","0.005","88.728","0.005","89.563","0.005","63.888","0.004","1903.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H53 Fe O P Sn -","- C42 H53 Fe O P Sn -","- C84 H106 Fe2 O2 P2 Sn2 -","2","1","","Mampa, Richard M.; Fernandes, Manuel A.; Carlton, Laurence","Iron-57 NMR and Structural Study of [Fe(η5-Cp)(SnPh3)(CO)(PR3)] (PR3= Phosphine, Phosphite). Separation of Steric and Electronic σ and π Effects","Organometallics","2014","","","140626113119005","","10.1021/om4011593","","","0.71073","MoKα","","0.0882","0.0471","","","0.0895","0.1017","","","","","","1.038","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083759","10.1908","0.0015","12.2765","0.0018","14.472","0.002","87.082","0.003","71.182","0.002","68.38","0.003","1588.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H33 Fe O P Sn -","- C37 H33 Fe O P Sn -","- C74 H66 Fe2 O2 P2 Sn2 -","2","1","","Mampa, Richard M.; Fernandes, Manuel A.; Carlton, Laurence","Iron-57 NMR and Structural Study of [Fe(η5-Cp)(SnPh3)(CO)(PR3)] (PR3= Phosphine, Phosphite). Separation of Steric and Electronic σ and π Effects","Organometallics","2014","","","140626113119005","","10.1021/om4011593","","","0.71073","MoKα","","0.0305","0.0252","","","0.0622","0.0652","","","","","","1.038","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083760","20.6443","0.0004","11.0577","0.0002","20.4132","0.0004","90","","111.114","0.001","90","","4347.05","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H45 Cl4 Fe O P Sn -","- C47 H45 Cl4 Fe O P Sn -","- C188 H180 Cl16 Fe4 O4 P4 Sn4 -","4","1","","Mampa, Richard M.; Fernandes, Manuel A.; Carlton, Laurence","Iron-57 NMR and Structural Study of [Fe(η5-Cp)(SnPh3)(CO)(PR3)] (PR3= Phosphine, Phosphite). Separation of Steric and Electronic σ and π Effects","Organometallics","2014","","","140626113119005","","10.1021/om4011593","","","0.71073","MoKα","","0.0483","0.0343","","","0.0742","0.0788","","","","","","0.951","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083761","11.3268","0.0002","11.9156","0.0003","14.3179","0.0003","84.837","0.001","67.771","0.001","68.169","0.001","1657.63","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 Fe O P Sn -","- C42 H35 Fe O P Sn -","- C84 H70 Fe2 O2 P2 Sn2 -","2","1","","Mampa, Richard M.; Fernandes, Manuel A.; Carlton, Laurence","Iron-57 NMR and Structural Study of [Fe(η5-Cp)(SnPh3)(CO)(PR3)] (PR3= Phosphine, Phosphite). Separation of Steric and Electronic σ and π Effects","Organometallics","2014","","","140626113119005","","10.1021/om4011593","","","0.71073","MoKα","","0.0345","0.0266","","","0.0586","0.0608","","","","","","0.973","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083762","9.0331","0.0014","19.981","0.003","21.111","0.003","90","","92.744","0.003","90","","3806","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Fe O P Sn -","- C45 H41 Fe O P Sn -","- C180 H164 Fe4 O4 P4 Sn4 -","4","1","","Mampa, Richard M.; Fernandes, Manuel A.; Carlton, Laurence","Iron-57 NMR and Structural Study of [Fe(η5-Cp)(SnPh3)(CO)(PR3)] (PR3= Phosphine, Phosphite). Separation of Steric and Electronic σ and π Effects","Organometallics","2014","","","140626113119005","","10.1021/om4011593","","","0.71073","MoKα","","0.0481","0.0326","","","0.0661","0.0721","","","","","","1.062","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083763","11.4055","0.0003","13.4317","0.0003","17.4008","0.0004","94.164","0.001","106.343","0.001","114.75","0.001","2266.9","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H45 Cl4 Fe O4 P Sn -","- C47 H45 Cl4 Fe O4 P Sn -","- C94 H90 Cl8 Fe2 O8 P2 Sn2 -","2","1","","Mampa, Richard M.; Fernandes, Manuel A.; Carlton, Laurence","Iron-57 NMR and Structural Study of [Fe(η5-Cp)(SnPh3)(CO)(PR3)] (PR3= Phosphine, Phosphite). Separation of Steric and Electronic σ and π Effects","Organometallics","2014","","","140626113119005","","10.1021/om4011593","","","0.71073","MoKα","","0.0354","0.03","","","0.0786","0.0827","","","","","","1.043","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083764","11.6044","0.001","18.8906","0.0014","16.4893","0.0012","90","","101.753","0.003","90","","3538.9","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 F3 Fe O P Sn -","- C42 H32 F3 Fe O P Sn -","- C168 H128 F12 Fe4 O4 P4 Sn4 -","4","1","","Mampa, Richard M.; Fernandes, Manuel A.; Carlton, Laurence","Iron-57 NMR and Structural Study of [Fe(η5-Cp)(SnPh3)(CO)(PR3)] (PR3= Phosphine, Phosphite). Separation of Steric and Electronic σ and π Effects","Organometallics","2014","","","140626113119005","","10.1021/om4011593","","","0.71073","MoKα","","0.0571","0.0334","","","0.0689","0.0749","","","","","","0.944","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083765","11.5624","0.0003","11.8279","0.0004","16.6985","0.0006","74.464","0.002","83.455","0.002","62.597","0.002","1953.23","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H32 F9 Fe O P Sn -","- C45 H32 F9 Fe O P Sn -","- C90 H64 F18 Fe2 O2 P2 Sn2 -","2","1","","Mampa, Richard M.; Fernandes, Manuel A.; Carlton, Laurence","Iron-57 NMR and Structural Study of [Fe(η5-Cp)(SnPh3)(CO)(PR3)] (PR3= Phosphine, Phosphite). Separation of Steric and Electronic σ and π Effects","Organometallics","2014","","","140626113119005","","10.1021/om4011593","","","0.71073","MoKα","","0.0953","0.0487","","","0.0841","0.0969","","","","","","1.055","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083766","8.6517","0.0017","10.78","0.002","15.899","0.003","85.46","0.03","86.61","0.03","82.2","0.03","1462.7","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H38 Fe N3 O P Sn -","- C30 H38 Fe N3 O P Sn -","- C60 H76 Fe2 N6 O2 P2 Sn2 -","2","1","","Mampa, Richard M.; Fernandes, Manuel A.; Carlton, Laurence","Iron-57 NMR and Structural Study of [Fe(η5-Cp)(SnPh3)(CO)(PR3)] (PR3= Phosphine, Phosphite). Separation of Steric and Electronic σ and π Effects","Organometallics","2014","","","140626113119005","","10.1021/om4011593","","","0.71073","MoKα","","0.0217","0.0194","","","0.0465","0.0476","","","","","","1.031","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083767","9.4349","0.0002","30.011","0.0004","9.8551","0.0002","90","","109.71","0.001","90","","2626.99","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Fe O4 P Sn -","- C27 H29 Fe O4 P Sn -","- C108 H116 Fe4 O16 P4 Sn4 -","4","1","","Mampa, Richard M.; Fernandes, Manuel A.; Carlton, Laurence","Iron-57 NMR and Structural Study of [Fe(η5-Cp)(SnPh3)(CO)(PR3)] (PR3= Phosphine, Phosphite). Separation of Steric and Electronic σ and π Effects","Organometallics","2014","","","140626113119005","","10.1021/om4011593","","","0.71073","MoKα","","0.0334","0.028","","","0.0616","0.0634","","","","","","1.119","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083768","9.9203","0.0013","10.1167","0.0013","20.665","0.003","102.302","0.002","103.441","0.003","93.486","0.002","1957.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H78 Fe2 O8 P2 Sn2 -","- C91 H78 Fe2 O8 P2 Sn2 -","- C91 H78 Fe2 O8 P2 Sn2 -","1","0.5","","Mampa, Richard M.; Fernandes, Manuel A.; Carlton, Laurence","Iron-57 NMR and Structural Study of [Fe(η5-Cp)(SnPh3)(CO)(PR3)] (PR3= Phosphine, Phosphite). Separation of Steric and Electronic σ and π Effects","Organometallics","2014","","","140626113119005","","10.1021/om4011593","","","0.71073","MoKα","","0.0429","0.0313","","","0.07","0.0744","","","","","","1.02","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083769","11.7685","0.0019","8.6946","0.0011","20.394","0.003","90","","97.129","0.013","90","","2070.6","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 B2 F12 Li2 O4 -","- C32 H52 B2 F12 Li2 O4 -","- C64 H104 B4 F24 Li4 O8 -","2","0.5","","Samigullin, Kamil; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Synthesis of (3,5-(CF3)2C6H3)2BX (X = H, OMe, F, Cl, Br): Reagents for the Introduction of a Strong Boryl Acceptor Unit","Organometallics","2014","","","140626134355006","","10.1021/om500476d","","","0.71073","MoKα","","0.1398","0.0813","","","0.2111","0.2438","","","","","","1.03","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083770","8.6049","0.0009","9.6414","0.0007","21.555","0.002","90","","96.759","0.008","90","","1775.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 B F14 K -","- C16 H6 B F14 K -","- C64 H24 B4 F56 K4 -","4","1","","Samigullin, Kamil; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Synthesis of (3,5-(CF3)2C6H3)2BX (X = H, OMe, F, Cl, Br): Reagents for the Introduction of a Strong Boryl Acceptor Unit","Organometallics","2014","","","140626134355006","","10.1021/om500476d","","","0.71073","MoKα","","0.0522","0.0466","","","0.1149","0.1186","","","","","","1.044","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083771","8.2816","0.0006","9.2342","0.0007","12.7869","0.0009","106.284","0.006","102.371","0.006","99.235","0.006","891.11","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H6 B Br F12 -","- C16 H6 B Br F12 -","- C32 H12 B2 Br2 F24 -","2","1","","Samigullin, Kamil; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Synthesis of (3,5-(CF3)2C6H3)2BX (X = H, OMe, F, Cl, Br): Reagents for the Introduction of a Strong Boryl Acceptor Unit","Organometallics","2014","","","140626134355006","","10.1021/om500476d","","","0.71073","MoKα","","0.0503","0.0466","","","0.1162","0.1188","","","","","","1.035","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083772","7.7653","0.0006","9.4004","0.0007","12.8035","0.001","106.735","0.006","96.468","0.006","109.34","0.006","821.84","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H6 B F13 -","- C16 H6 B F13 -","- C32 H12 B2 F26 -","2","1","","Samigullin, Kamil; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Synthesis of (3,5-(CF3)2C6H3)2BX (X = H, OMe, F, Cl, Br): Reagents for the Introduction of a Strong Boryl Acceptor Unit","Organometallics","2014","","","140626134355006","","10.1021/om500476d","","","0.71073","MoKα","","0.0653","0.0616","","","0.1688","0.1723","","","","","","1.059","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083773","8.0642","0.001","9.4069","0.001","12.8246","0.0015","106.576","0.009","97.39","0.01","107.87","0.009","862.17","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H6 B Cl F12 -","- C16 H6 B Cl F12 -","- C32 H12 B2 Cl2 F24 -","2","1","","Samigullin, Kamil; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Facile Synthesis of (3,5-(CF3)2C6H3)2BX (X = H, OMe, F, Cl, Br): Reagents for the Introduction of a Strong Boryl Acceptor Unit","Organometallics","2014","","","140626134355006","","10.1021/om500476d","","","0.71073","MoKα","","0.0807","0.0714","","","0.2008","0.2086","","","","","","1.082","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083774","15.9143","0.0005","14.3062","0.0004","11.8334","0.0004","90","","90","","90","","2694.15","0.15","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H42 B Fe N5 Si2 -","- C20 H42 B Fe N5 Si2 -","- C80 H168 B4 Fe4 N20 Si8 -","4","0.5","","Lee, Wei-Tsung; Jeon, Ie-Rang; Xu, Song; Dickie, Diane A.; Smith, Jeremy M.","Low-Coordinate Iron(II) Complexes of a Bulky Bis(carbene)borate Ligand","Organometallics","2014","33","20","5654","","10.1021/om500417y","","","0.71073","MoKα","","0.0534","0.0363","","","0.0901","0.1005","","","","","","1.031","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4083775","9.4787","0.001","11.2847","0.0013","14.3606","0.0017","78.561","0.006","85.785","0.006","85.576","0.006","1498.4","0.3","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C23 H40 B Cl Fe N6 -","- C23 H40 B Cl Fe N6 -","- C46 H80 B2 Cl2 Fe2 N12 -","2","2","","Lee, Wei-Tsung; Jeon, Ie-Rang; Xu, Song; Dickie, Diane A.; Smith, Jeremy M.","Low-Coordinate Iron(II) Complexes of a Bulky Bis(carbene)borate Ligand","Organometallics","2014","33","20","5654","","10.1021/om500417y","","","0.71073","MoKα","","0.0453","0.0366","","","0.0851","0.0885","","","","","","1.003","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083776","17.7045","0.0013","17.6048","0.0013","17.7357","0.0013","90","","100.713","0.005","90","","5431.6","0.7","172","2","172","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C44 H80 B2 Fe I2 Li2 N8 O4 -","- C44 H80 B2 Fe I2 Li2 N8 O4 -","- C176 H320 B8 Fe4 I8 Li8 N32 O16 -","4","0.5","","Lee, Wei-Tsung; Jeon, Ie-Rang; Xu, Song; Dickie, Diane A.; Smith, Jeremy M.","Low-Coordinate Iron(II) Complexes of a Bulky Bis(carbene)borate Ligand","Organometallics","2014","33","20","5654","","10.1021/om500417y","","","0.71073","MoKα","","0.0463","0.0333","","","0.0713","0.0774","","","","","","1.013","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4083777","37.3655","0.001","11.4117","0.0003","16.3998","0.0005","90","","94.237","0.002","90","","6973.8","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H43 B Fe I N5 Si2 -","- C20 H43 B Fe I N5 Si2 -","- C160 H344 B8 Fe8 I8 N40 Si16 -","8","1","","Lee, Wei-Tsung; Jeon, Ie-Rang; Xu, Song; Dickie, Diane A.; Smith, Jeremy M.","Low-Coordinate Iron(II) Complexes of a Bulky Bis(carbene)borate Ligand","Organometallics","2014","33","20","5654","","10.1021/om500417y","","","0.71073","MoKα","","0.0386","0.0327","","","0.1213","0.1242","","","","","","1.178","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083778","18.043","0.0009","11.9746","0.0006","16.6649","0.0009","90","","94.1444","0.0015","90","","3591.2","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H50 B2 Cl2 Fe N8 -","- C28 H50 B2 Cl2 Fe N8 -","- C112 H200 B8 Cl8 Fe4 N32 -","4","1","","Lee, Wei-Tsung; Jeon, Ie-Rang; Xu, Song; Dickie, Diane A.; Smith, Jeremy M.","Low-Coordinate Iron(II) Complexes of a Bulky Bis(carbene)borate Ligand","Organometallics","2014","33","20","5654","","10.1021/om500417y","","","0.71073","MoKα","","0.0273","0.0258","","","0.0624","0.0631","","","","","","1.003","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083779","12.6859","0.0007","20.4319","0.0012","13.4535","0.0007","90","","94.956","0.002","90","","3474.1","0.3","103","2","103","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 F3 N4 O8 S Si W -","- C28 H33 F3 N4 O8 S Si W -","- C112 H132 F12 N16 O32 S4 Si4 W4 -","4","1","","Yeong, Hui-Xian; Li, Yongxin; So, Cheuk-Wai","A Base-Stabilized Silyliumylidene Cation as a Ligand for Rhodium and Tungsten Complexes","Organometallics","2014","","","140627113050000","","10.1021/om500232f","","","0.71073","MoKα","","0.0629","0.0367","","","0.0836","0.1168","","","","","","1.096","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083780","9.4099","0.0017","12.173","0.003","12.28","0.002","90","","90.1","0.02","90","","1406.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Br2 N3 Pd -","- C12 H13 Br2 N3 Pd -","- C48 H52 Br8 N12 Pd4 -","4","1","","Bernhammer, Jan C.; Chong, Ning Xi; Jothibasu, Ramasamy; Zhou, Binbin; Huynh, Han Vinh","Palladium(II) Complexes Bearing an Indazole-Derived N-Heterocyclic Carbene and Phosphine Coligands as Catalysts for the Sonogashira Coupling and the Hydroamination of Alkynes","Organometallics","2014","","","140627160434001","","10.1021/om500566n","","","0.71073","MoKα","","0.0278","0.0243","","","0.0573","0.0585","","","","","","1.054","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083781","9.8647","0.001","11.549","0.0011","15.5559","0.0016","90","","94.278","0.002","90","","1767.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Br2 N4 Pd -","- C15 H18 Br2 N4 Pd -","- C60 H72 Br8 N16 Pd4 -","4","1","","Bernhammer, Jan C.; Chong, Ning Xi; Jothibasu, Ramasamy; Zhou, Binbin; Huynh, Han Vinh","Palladium(II) Complexes Bearing an Indazole-Derived N-Heterocyclic Carbene and Phosphine Coligands as Catalysts for the Sonogashira Coupling and the Hydroamination of Alkynes","Organometallics","2014","","","140627160434001","","10.1021/om500566n","","","0.71073","MoKα","","0.0376","0.031","","","0.0734","0.0752","","","","","","1.015","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083782","13.4325","0.0006","10.2745","0.0004","13.8594","0.0006","90","","98.377","0.002","90","","1892.36","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Br2 Cl0.25 N4 Pd -","- C16.873 H17.873 Br2 Cl0.254 N3.873 Pd -","- C67.492 H71.492 Br8 Cl1.016 N15.492 Pd4 -","4","1","","Bernhammer, Jan C.; Chong, Ning Xi; Jothibasu, Ramasamy; Zhou, Binbin; Huynh, Han Vinh","Palladium(II) Complexes Bearing an Indazole-Derived N-Heterocyclic Carbene and Phosphine Coligands as Catalysts for the Sonogashira Coupling and the Hydroamination of Alkynes","Organometallics","2014","","","140627160434001","","10.1021/om500566n","","","0.71073","MoKα","","0.0372","0.0291","","","0.0663","0.0693","","","","","","1.048","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083783","20.2789","0.0006","9.4519","0.0003","21.9379","0.0007","90","","90","","90","","4204.9","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 Br2 Cl3 N3 Pd -","- C17 H18 Br2 Cl3 N3 Pd -","- C136 H144 Br16 Cl24 N24 Pd8 -","8","1","","Bernhammer, Jan C.; Chong, Ning Xi; Jothibasu, Ramasamy; Zhou, Binbin; Huynh, Han Vinh","Palladium(II) Complexes Bearing an Indazole-Derived N-Heterocyclic Carbene and Phosphine Coligands as Catalysts for the Sonogashira Coupling and the Hydroamination of Alkynes","Organometallics","2014","","","140627160434001","","10.1021/om500566n","","","0.71073","MoKα","","0.0358","0.024","","","0.0485","0.0513","","","","","","1.034","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083784","10.6153","0.0008","16.6679","0.0012","14.6369","0.0012","90","","100.457","0.003","90","","2546.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Br2 N2 P Pd -","- C28 H25 Br2 N2 P Pd -","- C112 H100 Br8 N8 P4 Pd4 -","4","1","","Bernhammer, Jan C.; Chong, Ning Xi; Jothibasu, Ramasamy; Zhou, Binbin; Huynh, Han Vinh","Palladium(II) Complexes Bearing an Indazole-Derived N-Heterocyclic Carbene and Phosphine Coligands as Catalysts for the Sonogashira Coupling and the Hydroamination of Alkynes","Organometallics","2014","","","140627160434001","","10.1021/om500566n","","","0.71073","MoKα","","0.0672","0.0369","","","0.0627","0.0701","","","","","","1.011","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083785","10.7241","0.0008","16.5483","0.0009","17.6106","0.0012","90","","96.812","0.002","90","","3103.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 F6 N2 O4 P Pd -","- C32 H25 F6 N2 O4 P Pd -","- C128 H100 F24 N8 O16 P4 Pd4 -","4","1","","Bernhammer, Jan C.; Chong, Ning Xi; Jothibasu, Ramasamy; Zhou, Binbin; Huynh, Han Vinh","Palladium(II) Complexes Bearing an Indazole-Derived N-Heterocyclic Carbene and Phosphine Coligands as Catalysts for the Sonogashira Coupling and the Hydroamination of Alkynes","Organometallics","2014","","","140627160434001","","10.1021/om500566n","","","0.71073","MoKα","","0.0653","0.0446","","","0.0953","0.1018","","","","","","1.029","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083786","10.868","0.01","16.543","0.015","17.842","0.016","90","","96.674","0.014","90","","3186","5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","NX013","","","- C33 H27 F6 N2 O4 P Pd -","- C33 H27 F6 N2 O4 P Pd -","- C132 H108 F24 N8 O16 P4 Pd4 -","4","1","","Bernhammer, Jan C.; Chong, Ning Xi; Jothibasu, Ramasamy; Zhou, Binbin; Huynh, Han Vinh","Palladium(II) Complexes Bearing an Indazole-Derived N-Heterocyclic Carbene and Phosphine Coligands as Catalysts for the Sonogashira Coupling and the Hydroamination of Alkynes","Organometallics","2014","","","140627160434001","","10.1021/om500566n","","","0.71073","MoKα","","0.0635","0.0518","","","0.1272","0.1338","","","","","","1.052","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083787","17.222","0.003","17.669","0.003","12.869","0.002","90","","108.258","0.003","90","","3718.8","1.1","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 B Br Cl2 F4 N2 P2 Pd -","- C38 H38 B Br Cl2 F4 N2 P2 Pd -","- C152 H152 B4 Br4 Cl8 F16 N8 P8 Pd4 -","4","1","","Bernhammer, Jan C.; Chong, Ning Xi; Jothibasu, Ramasamy; Zhou, Binbin; Huynh, Han Vinh","Palladium(II) Complexes Bearing an Indazole-Derived N-Heterocyclic Carbene and Phosphine Coligands as Catalysts for the Sonogashira Coupling and the Hydroamination of Alkynes","Organometallics","2014","","","140627160434001","","10.1021/om500566n","","","0.71073","MoKα","","0.0351","0.0307","","","0.0766","0.0786","","","","","","1.048","","","","has coordinates,has disorder","178726","2020-10-21","18:00:00",""
"4083788","16.9962","0.001","14.4727","0.001","30.934","0.002","90","","96.906","0.002","90","","7554","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H40.5 Br2 N3.5 P2 Pd -","- C40 H40.5 Br2 N3.5 P2 Pd -","- C320 H324 Br16 N28 P16 Pd8 -","8","2","","Bernhammer, Jan C.; Chong, Ning Xi; Jothibasu, Ramasamy; Zhou, Binbin; Huynh, Han Vinh","Palladium(II) Complexes Bearing an Indazole-Derived N-Heterocyclic Carbene and Phosphine Coligands as Catalysts for the Sonogashira Coupling and the Hydroamination of Alkynes","Organometallics","2014","","","140627160434001","","10.1021/om500566n","","","0.71073","MoKα","","0.0889","0.0558","","","0.1238","0.1369","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083838","10.5266","0.0013","8.2026","0.001","19.37","0.002","90","","96.087","0.003","90","","1663.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Br4 N4 Pd -","- C34 H34 Br4 N4 Pd -","- C68 H68 Br8 N8 Pd2 -","2","0.5","","Teng, Qiaoqiao; Upmann, Daniel; Ng Wijaya, Sheena Ai Zi; Huynh, Han Vinh","Bis(functionalized NHC) Palladium(II) Complexes via a Postmodification Approach","Organometallics","2014","","","140630123629004","","10.1021/om500274c","","","0.71073","MoKα","","0.0469","0.0393","","","0.1072","0.111","","","","","","1.049","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083839","8.449","0.0004","23.3113","0.0012","10.4417","0.0004","90","","94.643","0.002","90","","2049.82","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 Br2 N6 O4 Pd -","- C42 H46 Br2 N6 O4 Pd -","- C84 H92 Br4 N12 O8 Pd2 -","2","0.5","","Teng, Qiaoqiao; Upmann, Daniel; Ng Wijaya, Sheena Ai Zi; Huynh, Han Vinh","Bis(functionalized NHC) Palladium(II) Complexes via a Postmodification Approach","Organometallics","2014","","","140630123629004","","10.1021/om500274c","","","0.71073","MoKα","","0.0661","0.0387","","","0.0735","0.0801","","","","","","1.033","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083840","10.636","0.0009","11.3645","0.0009","11.468","0.001","76.226","0.002","66.087","0.002","76.168","0.002","1214.77","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H54 N4 Pd S4 -","- C58 H54 N4 Pd S4 -","- C58 H54 N4 Pd S4 -","1","0.5","","Teng, Qiaoqiao; Upmann, Daniel; Ng Wijaya, Sheena Ai Zi; Huynh, Han Vinh","Bis(functionalized NHC) Palladium(II) Complexes via a Postmodification Approach","Organometallics","2014","","","140630123629004","","10.1021/om500274c","","","0.71073","MoKα","","0.0444","0.0398","","","0.1038","0.1079","","","","","","1.076","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083841","9.0012","0.0018","11.22","0.002","12.316","0.002","73.186","0.006","75.788","0.006","69.685","0.006","1101.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H50 N4 Pd S4 -","- C50 H50 N4 Pd S4 -","- C50 H50 N4 Pd S4 -","1","0.5","","Teng, Qiaoqiao; Upmann, Daniel; Ng Wijaya, Sheena Ai Zi; Huynh, Han Vinh","Bis(functionalized NHC) Palladium(II) Complexes via a Postmodification Approach","Organometallics","2014","","","140630123629004","","10.1021/om500274c","","","0.71073","MoKα","","0.0252","0.0231","","","0.0564","0.0572","","","","","","1.044","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083842","10.9426","0.0008","9.6095","0.0007","18.7276","0.0014","90","","103.262","0.002","90","","1916.7","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 N8 Pd S4 -","- C38 H34 N8 Pd S4 -","- C76 H68 N16 Pd2 S8 -","2","0.5","","Teng, Qiaoqiao; Upmann, Daniel; Ng Wijaya, Sheena Ai Zi; Huynh, Han Vinh","Bis(functionalized NHC) Palladium(II) Complexes via a Postmodification Approach","Organometallics","2014","","","140630123629004","","10.1021/om500274c","","","0.71073","MoKα","","0.0694","0.0564","","","0.1302","0.1367","","","","","","1.13","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083843","25.707","0.003","9.3604","0.0012","16.538","0.002","90","","116.555","0.004","90","","3559.7","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 Br2 N6 Pd S2 -","- C36 H22 Br2 N6 Pd S2 -","- C144 H88 Br8 N24 Pd4 S8 -","4","0.5","","Teng, Qiaoqiao; Upmann, Daniel; Ng Wijaya, Sheena Ai Zi; Huynh, Han Vinh","Bis(functionalized NHC) Palladium(II) Complexes via a Postmodification Approach","Organometallics","2014","","","140630123629004","","10.1021/om500274c","","","0.71073","MoKα","","0.0693","0.0501","","","0.1304","0.1404","","","","","","1.047","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083844","7.857","0.001","20.915","0.003","11.348","0.0015","90","","109.728","0.003","90","","1755.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 I2 N6 Pd S2 -","- C36 H34 I2 N6 Pd S2 -","- C72 H68 I4 N12 Pd2 S4 -","2","0.5","","Teng, Qiaoqiao; Upmann, Daniel; Ng Wijaya, Sheena Ai Zi; Huynh, Han Vinh","Bis(functionalized NHC) Palladium(II) Complexes via a Postmodification Approach","Organometallics","2014","","","140630123629004","","10.1021/om500274c","","","0.71073","MoKα","","0.0306","0.0294","","","0.0725","0.0731","","","","","","1.141","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083845","10.7516","0.0003","16.4303","0.0005","16.8088","0.0006","90","","106.198","0.001","90","","2851.44","0.16","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H82 B2 Co2 F8 N4 P4 -","- C58 H82 B2 Co2 F8 N4 P4 -","- C116 H164 B4 Co4 F16 N8 P8 -","2","0.5","","Fang, Ming; Wiedner, Eric S.; Dougherty, William G.; Kassel, W. Scott; Liu, Tianbiao; DuBois, Daniel L.; Bullock, R. Morris","Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H2Production","Organometallics","2014","33","20","5820","","10.1021/om5004607","","","0.71073","MoKα","","0.0648","0.0588","","","0.1539","0.1622","","","","","","1.141","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083846","10.2108","0.0005","11.0407","0.0006","12.5959","0.0006","70.379","0.002","78.975","0.002","88.437","0.002","1311.8","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H41 Co N2 P2 -","- C29 H41 Co N2 P2 -","- C58 H82 Co2 N4 P4 -","2","1","","Fang, Ming; Wiedner, Eric S.; Dougherty, William G.; Kassel, W. Scott; Liu, Tianbiao; DuBois, Daniel L.; Bullock, R. Morris","Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H2Production","Organometallics","2014","33","20","5820","","10.1021/om5004607","","","0.71073","MoKα","","0.0686","0.04","","","0.0817","0.0914","","","","","","1.013","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083847","8.2914","0.0007","10.382","0.0009","20.3152","0.0017","103.959","0.005","91.225","0.005","102.488","0.005","1652","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H49 B Co F4 N2 O P2 -","- C33.296 H50.592 B Co F4 N2 O1.074 P2 -","- C66.592 H101.184 B2 Co2 F8 N4 O2.148 P4 -","2","1","","Fang, Ming; Wiedner, Eric S.; Dougherty, William G.; Kassel, W. Scott; Liu, Tianbiao; DuBois, Daniel L.; Bullock, R. Morris","Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H2Production","Organometallics","2014","33","20","5820","","10.1021/om5004607","","","0.71073","MoKα","","0.0953","0.0747","","","0.1932","0.2134","","","","","","1.015","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083848","8.272","0.002","10.327","0.003","20.825","0.006","76.569","0.017","81.969","0.016","76.613","0.017","1676.3","0.8","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H40 B Co F9 N2 P2 -","- C35 H40 B Co F9 N2 P2 -","- C70 H80 B2 Co2 F18 N4 P4 -","2","1","","Fang, Ming; Wiedner, Eric S.; Dougherty, William G.; Kassel, W. Scott; Liu, Tianbiao; DuBois, Daniel L.; Bullock, R. Morris","Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H2Production","Organometallics","2014","33","20","5820","","10.1021/om5004607","","","0.71073","MoKα","","0.2684","0.078","","","0.1123","0.1641","","","","","","0.886","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083849","14.1542","0.0005","15.3241","0.0005","16.4079","0.0005","83.782","0.001","75.999","0.001","73.191","0.001","3302.79","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H41.5 Co F5 N2.5 P2 -","- C36 H41.5 Co F5 N2.5 P2 -","- C144 H166 Co4 F20 N10 P8 -","4","2","","Fang, Ming; Wiedner, Eric S.; Dougherty, William G.; Kassel, W. Scott; Liu, Tianbiao; DuBois, Daniel L.; Bullock, R. Morris","Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H2Production","Organometallics","2014","33","20","5820","","10.1021/om5004607","","","0.71073","MoKα","","0.0934","0.0475","","","0.1018","0.1173","","","","","","1.019","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4083850","8.361","0.002","10.159","0.003","20.994","0.005","76.151","0.01","82.519","0.008","75.569","0.008","1672","0.8","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H41 B Co F9 N2 P2 -","- C35 H41 B Co F9 N2 P2 -","- C70 H82 B2 Co2 F18 N4 P4 -","2","1","","Fang, Ming; Wiedner, Eric S.; Dougherty, William G.; Kassel, W. Scott; Liu, Tianbiao; DuBois, Daniel L.; Bullock, R. Morris","Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H2Production","Organometallics","2014","33","20","5820","","10.1021/om5004607","","","0.71073","MoKα","","0.1118","0.0517","","","0.0794","0.0951","","","","","","1.015","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083851","8.2181","0.0006","38.551","0.003","10.5826","0.0009","90","","99.773","0.003","90","","3304.1","0.5","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 B Co F8 N3 P2 -","- C34 H40 B Co F8 N3 P2 -","- C136 H160 B4 Co4 F32 N12 P8 -","4","1","","Fang, Ming; Wiedner, Eric S.; Dougherty, William G.; Kassel, W. Scott; Liu, Tianbiao; DuBois, Daniel L.; Bullock, R. Morris","Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H2Production","Organometallics","2014","33","20","5820","","10.1021/om5004607","","","0.71073","MoKα","","0.0688","0.0391","","","0.0767","0.0869","","","","","","1.015","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083852","12.4882","0.0008","12.5142","0.0008","22.1598","0.0017","73.638","0.002","74.976","0.003","76.289","0.002","3158.6","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 Co F4 N3 P2 -","- C34 H40 Co F4 N3 P2 -","- C136 H160 Co4 F16 N12 P8 -","4","2","","Fang, Ming; Wiedner, Eric S.; Dougherty, William G.; Kassel, W. Scott; Liu, Tianbiao; DuBois, Daniel L.; Bullock, R. Morris","Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H2Production","Organometallics","2014","33","20","5820","","10.1021/om5004607","","","0.71073","MoKα","","0.0974","0.0468","","","0.0868","0.1007","","","","","","1.032","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083853","8.2542","0.0004","38.544","0.002","10.5136","0.0005","90","","99.341","0.003","90","","3300.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","mf26","","","- C34 H40 B Co F8 N3 P2 -","- C34 H40 B Co F8 N3 P2 -","- C136 H160 B4 Co4 F32 N12 P8 -","4","1","","Fang, Ming; Wiedner, Eric S.; Dougherty, William G.; Kassel, W. Scott; Liu, Tianbiao; DuBois, Daniel L.; Bullock, R. Morris","Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H2Production","Organometallics","2014","33","20","5820","","10.1021/om5004607","","x-ray","0.71073","MoKα","","0.0702","0.0413","","","0.0844","0.0932","","","","","","1.029","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083854","8.184","0.0005","12.446","0.003","33.932","0.007","90","","90","","90","","3456.2","1.1","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H40 N2 O2 Pt -","- C39 H40 N2 O2 Pt -","- C156 H160 N8 O8 Pt4 -","4","1","","Micksch, Maik; Tenne, Mario; Strassner, Thomas","C∧N-Cyclometalated Platinum(II) Complexes with Sterically Demanding 1,2-Diarylimidazole Ligands","Organometallics","2014","","","140701164044003","","10.1021/om500383b","","","0.71073","MoKα","","0.0474","0.0298","","","0.0583","0.0745","","","","","","1.196","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083855","12.585","0.0016","29.673","0.008","20.614","0.005","90","","127.347","0.011","90","","6120","3","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N2 O2 Pt -","- C32 H42 N2 O2 Pt -","- C256 H336 N16 O16 Pt8 -","8","2","","Micksch, Maik; Tenne, Mario; Strassner, Thomas","C∧N-Cyclometalated Platinum(II) Complexes with Sterically Demanding 1,2-Diarylimidazole Ligands","Organometallics","2014","","","140701164044003","","10.1021/om500383b","","","0.71073","MoKα","","0.0745","0.036","","","0.0987","0.1175","","","","","","1.146","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083856","29.57","0.0013","14.856","0.004","14.926","0.0015","90","","90","","90","","6556.9","1.9","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H44 N2 O4 Pt -","- C34 H44 N2 O4 Pt -","- C272 H352 N16 O32 Pt8 -","8","1","","Micksch, Maik; Tenne, Mario; Strassner, Thomas","C∧N-Cyclometalated Platinum(II) Complexes with Sterically Demanding 1,2-Diarylimidazole Ligands","Organometallics","2014","","","140701164044003","","10.1021/om500383b","","","0.71073","MoKα","","0.0879","0.0409","","","0.0611","0.0741","","","","","","1.178","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083857","10.741","0.002","18.843","0.004","21.735","0.004","108.38","0.03","104.18","0.03","97.7","0.03","3939.3","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H48 Fe P4 -","- C43 H48 Fe P4 -","- C172 H192 Fe4 P16 -","4","2","","Zhao, Hua; Sun, Hongjian; Li, Xiaoyan","Synthesis and Catalytic Property of Iron Pincer Complexes Generated by Csp3‒H Activation","Organometallics","2014","","","140701152748009","","10.1021/om500429r","","","0.71073","MoKα","","0.0973","0.0551","","","0.146","0.1954","","","","","","0.742","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083858","10.094","0.002","12.59","0.003","17.33","0.004","99.45","0.03","93.59","0.03","111.4","0.03","2004.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H46 Fe P4 -","- C43 H46 Fe P4 -","- C86 H92 Fe2 P8 -","2","1","","Zhao, Hua; Sun, Hongjian; Li, Xiaoyan","Synthesis and Catalytic Property of Iron Pincer Complexes Generated by Csp3‒H Activation","Organometallics","2014","","","140701152748009","","10.1021/om500429r","","","0.71073","MoKα","","0.2054","0.0887","","","0.2103","0.2813","","","","","","0.965","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083859","7.5978","0.0014","8.8085","0.0016","33.134","0.006","90","","95.787","0.002","90","","2206.2","0.7","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H37 Fe P -","- C23 H37 Fe P -","- C92 H148 Fe4 P4 -","4","1","","Lansing, James C.; Camara, James M.; Gray, Danielle E.; Rauchfuss, Thomas B.","Hydrogen Production Catalyzed by Bidirectional, Biomimetic Models of the [FeFe]-Hydrogenase Active Site.","Organometallics","2014","33","20","5897","5906","10.1021/om5004013","","","0.71073","MoKα","","0.0367","0.0308","","","0.0818","0.0859","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083860","7.6482","0.001","17.062","0.002","8.8172","0.0011","90","","91.852","0.002","90","","1150","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H39 Fe P -","- C24 H39 Fe P -","- C48 H78 Fe2 P2 -","2","1","","Lansing, James C.; Camara, James M.; Gray, Danielle E.; Rauchfuss, Thomas B.","Hydrogen Production Catalyzed by Bidirectional, Biomimetic Models of the [FeFe]-Hydrogenase Active Site.","Organometallics","2014","33","20","5897","5906","10.1021/om5004013","","","0.71073","MoKα","","0.0372","0.0325","","","0.0759","0.0788","","","","","","1.039","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083861","8.93","0.002","28.249","0.006","10.267","0.002","90","","102.766","0.002","90","","2526","0.9","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H39 B F4 Fe P -","- C24 H39 B0.999 F3.996 Fe P -","- C96 H156 B3.996 F15.984 Fe4 P4 -","4","1","","Lansing, James C.; Camara, James M.; Gray, Danielle E.; Rauchfuss, Thomas B.","Hydrogen Production Catalyzed by Bidirectional, Biomimetic Models of the [FeFe]-Hydrogenase Active Site.","Organometallics","2014","33","20","5897","5906","10.1021/om5004013","","","0.71073","MoKα","","0.037","0.032","","","0.0887","0.0928","","","","","","1.038","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083862","37.6828","0.0018","37.6828","0.0018","22.16","0.002","90","","90","","120","","27251","3","188","2","188","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C63.33 H75.33 Fe3 N O3.33 P3 S2 -","- C62 H72 Fe3 N O3 P3 S2 -","- C1116 H1296 Fe54 N18 O54 P54 S36 -","18","1","","Lansing, James C.; Camara, James M.; Gray, Danielle E.; Rauchfuss, Thomas B.","Hydrogen Production Catalyzed by Bidirectional, Biomimetic Models of the [FeFe]-Hydrogenase Active Site.","Organometallics","2014","33","20","5897","5906","10.1021/om5004013","","","0.71073","MoKα","","0.0837","0.0478","","","0.1168","0.1286","","","","","","1.08","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083863","14.616","0.0017","10.7894","0.0013","14.6807","0.0018","90","","102.959","0.003","90","","2256.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl2 N P Pd -","- C24 H22 Cl2 N P Pd -","- C96 H88 Cl8 N4 P4 Pd4 -","4","1","","Saha, Debajyoti; Verma, Ravi; Kumar, Devesh; Pathak, Shubhrodeep; Bhunya, Sourav; Sarkar, Amitabha","A “Hemilabile” Palladium‒Carbon Bond: Characterization and Its Implication in Catalysis","Organometallics","2014","","","140702101148002","","10.1021/om5005435","","","0.71073","MoKα","","0.049","0.0355","","","0.1152","0.1298","","","","","","0.912","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083864","14.728","0.006","24.799","0.009","22.128","0.009","90","","92.306","0.002","90","","8075","5","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C89 H62 F24 N4 P4 W -","- C89 H62 F24 N4 P4 W -","- C356 H248 F96 N16 P16 W4 -","4","1","","Dai, Qi Xiu; Seino, Hidetake; Mizobe, Yasushi","Linear Connection of Four Nitrile Molecules on the Tetraphosphine Complexes of Tungsten and Molybdenum","Organometallics","2014","","","140702100106004","","10.1021/om500405f","","","0.7107","MoKα","","","0.0778","","","","0.1805","","","","","","1.088","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083865","11.8801","0.0016","13.2558","0.0017","16.21","0.002","75.083","0.008","69.027","0.008","68.883","0.008","2199.2","0.5","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H54 Mo P4 -","- C54 H54 Mo P4 -","- C108 H108 Mo2 P8 -","2","1","","Dai, Qi Xiu; Seino, Hidetake; Mizobe, Yasushi","Linear Connection of Four Nitrile Molecules on the Tetraphosphine Complexes of Tungsten and Molybdenum","Organometallics","2014","","","140702100106004","","10.1021/om500405f","","","0.7107","MoKα","","","0.07","","","","0.1778","","","","","","1.136","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083866","14.744","0.005","24.892","0.008","22.143","0.007","90","","92.4221","0.0017","90","","8119","5","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C89 H62 F24 Mo N4 P4 -","- C89 H62 F24 Mo N4 P4 -","- C356 H248 F96 Mo4 N16 P16 -","4","1","","Dai, Qi Xiu; Seino, Hidetake; Mizobe, Yasushi","Linear Connection of Four Nitrile Molecules on the Tetraphosphine Complexes of Tungsten and Molybdenum","Organometallics","2014","","","140702100106004","","10.1021/om500405f","","","0.7107","MoKα","","","0.0792","","","","0.2482","","","","","","1.1","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083867","13.2351","0.0005","13.9082","0.0005","16.4809","0.0006","87.2064","0.0015","79.1701","0.0011","75.3412","0.0012","2882.72","0.18","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H64 B N3 O3 P2 Ru -","- C67 H63 B N3 O3 P2 Ru -","- C134 H126 B2 N6 O6 P4 Ru2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Botter, Alessandra; Castro, Jesús; Giacomello, Mattia","Preparation of Diazoalkane Complexes of Ruthenium and Their Cyclization Reactions with Alkenes and Alkynes","Organometallics","2014","","","140702103357007","","10.1021/om500481d","","","1.54178","CuKα","","0.0351","0.0336","","","0.0942","0.0957","","","","","","1.05","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083868","14.217","0.004","10.072","0.003","32.501","0.008","90","","93.352","0.005","90","","4646","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H51 B O6 P2 Ru -","- C54 H51 B O6 P2 Ru -","- C216 H204 B4 O24 P8 Ru4 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Botter, Alessandra; Castro, Jesús; Giacomello, Mattia","Preparation of Diazoalkane Complexes of Ruthenium and Their Cyclization Reactions with Alkenes and Alkynes","Organometallics","2014","","","140702103357007","","10.1021/om500481d","","","0.71073","MoKα","","0.1454","0.052","","","0.1101","0.1574","","","","","","1.027","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083869","12.388","0.007","14.122","0.008","18.608","0.011","101.553","0.01","109.251","0.011","96.707","0.012","2952","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H61 B Cl2 N2 O3 P2 Ru -","- C66 H61 B Cl2 N2 O3 P2 Ru -","- C132 H122 B2 Cl4 N4 O6 P4 Ru2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Botter, Alessandra; Castro, Jesús; Giacomello, Mattia","Preparation of Diazoalkane Complexes of Ruthenium and Their Cyclization Reactions with Alkenes and Alkynes","Organometallics","2014","","","140702103357007","","10.1021/om500481d","","","0.71073","MoKα","","0.0888","0.047","","","0.1039","0.1268","","","","","","1.004","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083870","7.4763","0.0014","20.236","0.004","19.035","0.004","90","","98.063","0.004","90","","2851.3","1","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cl F6 N2 P Ru Se2 -","- C27 H24 Cl F6 N2 P Ru Se2 -","- C108 H96 Cl4 F24 N8 P4 Ru4 Se8 -","4","1","","Sharma, Alpesh K.; Joshi, Hemant; Sharma, Kamal Nayan; Gupta, Pancham L.; Singh, Ajai K.","2-Propanol vs Glycerol as Hydrogen Source in Catalytic Activation of Transfer Hydrogenation with (η6-Benzene)ruthenium(II) Complexes of Unsymmetrical Bidentate Chalcogen Ligands","Organometallics","2014","","","140702161836008","","10.1021/om500579r","","","0.71073","MoKα","","0.0951","0.0592","","","0.1147","0.1264","","","","","","0.954","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083871","7.451","0.002","20.156","0.006","18.826","0.006","90","","98.898","0.006","90","","2793.3","1.4","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cl F6 N2 P Ru S Se -","- C27 H24 Cl F6 N2 P Ru S Se -","- C108 H96 Cl4 F24 N8 P4 Ru4 S4 Se4 -","4","1","","Sharma, Alpesh K.; Joshi, Hemant; Sharma, Kamal Nayan; Gupta, Pancham L.; Singh, Ajai K.","2-Propanol vs Glycerol as Hydrogen Source in Catalytic Activation of Transfer Hydrogenation with (η6-Benzene)ruthenium(II) Complexes of Unsymmetrical Bidentate Chalcogen Ligands","Organometallics","2014","","","140702161836008","","10.1021/om500579r","","","0.71073","MoKα","","0.068","0.0444","","","0.109","0.136","","","","","","0.964","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083872","7.4916","0.0016","19.984","0.004","19.078","0.004","90","","98.057","0.004","90","","2828","1","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cl F6 N2 P Ru S Se -","- C27 H24 Cl F6 N2 P Ru S Se -","- C108 H96 Cl4 F24 N8 P4 Ru4 S4 Se4 -","4","1","","Sharma, Alpesh K.; Joshi, Hemant; Sharma, Kamal Nayan; Gupta, Pancham L.; Singh, Ajai K.","2-Propanol vs Glycerol as Hydrogen Source in Catalytic Activation of Transfer Hydrogenation with (η6-Benzene)ruthenium(II) Complexes of Unsymmetrical Bidentate Chalcogen Ligands","Organometallics","2014","","","140702161836008","","10.1021/om500579r","","","0.71073","MoKα","","0.0702","0.0574","","","0.1168","0.1219","","","","","","1.199","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083873","7.481","0.004","19.984","0.01","18.954","0.009","90","","98.526","0.012","90","","2802","2","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cl F6 N2 P Ru S2 -","- C27 H24 Cl F6 N2 P Ru S2 -","- C108 H96 Cl4 F24 N8 P4 Ru4 S8 -","4","1","","Sharma, Alpesh K.; Joshi, Hemant; Sharma, Kamal Nayan; Gupta, Pancham L.; Singh, Ajai K.","2-Propanol vs Glycerol as Hydrogen Source in Catalytic Activation of Transfer Hydrogenation with (η6-Benzene)ruthenium(II) Complexes of Unsymmetrical Bidentate Chalcogen Ligands","Organometallics","2014","","","140702161836008","","10.1021/om500579r","","","0.71073","MoKα","","0.1482","0.089","","","0.1561","0.1784","","","","","","1.083","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083874","10.1729","0.0004","13.9162","0.0006","17.7504","0.0008","90","","90","","90","","2512.89","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 Cl Ti -","- C27 H43 Cl Ti -","- C108 H172 Cl4 Ti4 -","4","1","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Steric Effects in Reactions of Decamethyltitanocene Hydride with Internal Alkynes, Conjugated Diynes, and Conjugated Dienes","Organometallics","2014","","","140702161538000","","10.1021/om500296h","","","0.71073","MoKα","","0.0384","0.0325","","","0.076","0.0786","","","","","","1.04","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083875","10.813","0.0003","14.3095","0.0004","16.6349","0.0004","90","","101.634","0.001","90","","2521.02","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H43 Cl Si Ti -","- C26 H43 Cl Si Ti -","- C104 H172 Cl4 Si4 Ti4 -","4","1","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Steric Effects in Reactions of Decamethyltitanocene Hydride with Internal Alkynes, Conjugated Diynes, and Conjugated Dienes","Organometallics","2014","","","140702161538000","","10.1021/om500296h","","","0.71073","MoKα","","0.0396","0.0304","","","0.0807","0.0858","","","","","","1.037","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083876","8.963","0.0003","10.1317","0.0003","17.1548","0.0006","79.49","0.001","75.607","0.001","74.406","0.001","1442.2","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H49 Si2 Ti -","- C28 H49 Si2 Ti -","- C56 H98 Si4 Ti2 -","2","1","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Steric Effects in Reactions of Decamethyltitanocene Hydride with Internal Alkynes, Conjugated Diynes, and Conjugated Dienes","Organometallics","2014","","","140702161538000","","10.1021/om500296h","","","0.71073","MoKα","","0.0628","0.0404","","","0.0943","0.1025","","","","","","1.029","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083877","19.4544","0.0007","11.2899","0.0004","12.8164","0.0004","90","","90","","90","","2814.97","0.17","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H49 Si Ti -","- C29 H49 Si Ti -","- C116 H196 Si4 Ti4 -","4","1","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Steric Effects in Reactions of Decamethyltitanocene Hydride with Internal Alkynes, Conjugated Diynes, and Conjugated Dienes","Organometallics","2014","","","140702161538000","","10.1021/om500296h","","","0.71073","MoKα","","0.0467","0.0369","","","0.0907","0.0963","","","","","","1.028","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083878","9.6744","0.0002","10.3617","0.0002","15.4189","0.0003","83.541","0.001","72.212","0.001","73.77","0.001","1412.47","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H45 Si Ti -","- C31 H45 Si Ti -","- C62 H90 Si2 Ti2 -","2","1","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Steric Effects in Reactions of Decamethyltitanocene Hydride with Internal Alkynes, Conjugated Diynes, and Conjugated Dienes","Organometallics","2014","","","140702161538000","","10.1021/om500296h","","","0.71073","MoKα","","0.0462","0.04","","","0.0976","0.1016","","","","","","1.04","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083879","9.1724","0.0002","11.2649","0.0003","14.9968","0.0003","88.751","0.001","81.836","0.001","82.226","0.001","1519.76","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H49 Si2 Ti -","- C30 H49 Si2 Ti -","- C60 H98 Si4 Ti2 -","2","1","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Steric Effects in Reactions of Decamethyltitanocene Hydride with Internal Alkynes, Conjugated Diynes, and Conjugated Dienes","Organometallics","2014","","","140702161538000","","10.1021/om500296h","","","0.71073","MoKα","","0.0511","0.0355","","","0.0819","0.0889","","","","","","1.034","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083880","16.147","0.0005","11.9803","0.0004","17.0907","0.0006","90","","115.782","0.001","90","","2977.02","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H49 Cl Ti -","- C32 H49 Cl Ti -","- C128 H196 Cl4 Ti4 -","4","1","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Steric Effects in Reactions of Decamethyltitanocene Hydride with Internal Alkynes, Conjugated Diynes, and Conjugated Dienes","Organometallics","2014","","","140702161538000","","10.1021/om500296h","","","0.71073","MoKα","","0.0556","0.0457","","","0.1036","0.1074","","","","","","1.128","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083881","9.034","0.0003","15.4832","0.0005","23.1692","0.0008","80.199","0.001","85.162","0.001","82.015","0.001","3156.41","0.18","150","2","150","2","","","","","","","","3","P 1","P 1","1","","","","- C24 H37 Ti -","- C24 H37 Ti -","- C144 H222 Ti6 -","6","6","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Steric Effects in Reactions of Decamethyltitanocene Hydride with Internal Alkynes, Conjugated Diynes, and Conjugated Dienes","Organometallics","2014","","","140702161538000","","10.1021/om500296h","","","0.71073","MoKα","","0.0745","0.0584","","","0.147","0.1581","","","","","","1.019","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083882","12.1836","0.0011","14.2158","0.001","16.8438","0.0016","85.307","0.005","89.227","0.004","79.588","0.004","2859.7","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 Au Cl N2 Se -","- C27 H36 Au Cl N2 Se -","- C108 H144 Au4 Cl4 N8 Se4 -","4","2","","Nelson, David J.; Nahra, Fady; Patrick, Scott R.; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Exploring the Coordination of Cyclic Selenoureas to Gold(I)","Organometallics","2014","","","140702161847002","","10.1021/om500610w","","","0.71075","MoKα","","","0.0215","","","","0.0481","","","","","","0.943","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083883","10.4816","0.0009","26.2116","0.0016","12.226","0.001","90","","110.867","0.0019","90","","3138.6","0.4","173","","173","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C56 H80 Au2 Cl6 N4 Se2 -","- C56 H80 Au2 Cl6 N4 Se2 -","- C112 H160 Au4 Cl12 N8 Se4 -","2","0.5","","Nelson, David J.; Nahra, Fady; Patrick, Scott R.; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Exploring the Coordination of Cyclic Selenoureas to Gold(I)","Organometallics","2014","","","140702161847002","","10.1021/om500610w","","","0.71075","MoKα","","","0.0304","","","","0.0832","","","","","","1.028","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083884","11.5015","0.001","12.7647","0.0009","12.8329","0.001","73.21","0.008","74.168","0.008","77.011","0.008","1713.4","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C59.5 H87 Au2 Cl5 N4 O4 Se2 -","- C59.5 H87 Au2 Cl5 N4 O4 Se2 -","- C59.5 H87 Au2 Cl5 N4 O4 Se2 -","1","0.5","","Nelson, David J.; Nahra, Fady; Patrick, Scott R.; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Exploring the Coordination of Cyclic Selenoureas to Gold(I)","Organometallics","2014","","","140702161847002","","10.1021/om500610w","","","0.71075","MoKα","","","0.0375","","","","0.0983","","","","","","1.02","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083885","25.8318","0.0018","12.4514","0.0008","17.8248","0.0014","90","","91.6577","0.0017","90","","5730.8","0.7","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C69.75 H57.5 Au Cl2.5 N2 Se -","- C69.75 H57.5 Au Cl2.5 N2 Se -","- C279 H230 Au4 Cl10 N8 Se4 -","4","1","","Nelson, David J.; Nahra, Fady; Patrick, Scott R.; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Exploring the Coordination of Cyclic Selenoureas to Gold(I)","Organometallics","2014","","","140702161847002","","10.1021/om500610w","","","0.71075","MoKα","","","0.0222","","","","0.0539","","","","","","1.013","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083886","19.4417","0.0013","15.071","0.001","20.1218","0.0015","90","","90","","90","","5895.8","0.7","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C70 H58 Au Cl3 N2 O2 Se -","- C70 H58 Au Cl3 N2 O2 Se -","- C280 H232 Au4 Cl12 N8 O8 Se4 -","4","1","","Nelson, David J.; Nahra, Fady; Patrick, Scott R.; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Exploring the Coordination of Cyclic Selenoureas to Gold(I)","Organometallics","2014","","","140702161847002","","10.1021/om500610w","","","0.71075","MoKα","","","0.0216","","","","0.0577","","","","","","1.003","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083887","11.0441","0.0011","15.4012","0.0011","13.8168","0.0014","90","","113.158","0.002","90","","2160.8","0.3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Au Cl N2 Se -","- C21 H24 Au Cl N2 Se -","- C84 H96 Au4 Cl4 N8 Se4 -","4","1","","Nelson, David J.; Nahra, Fady; Patrick, Scott R.; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Exploring the Coordination of Cyclic Selenoureas to Gold(I)","Organometallics","2014","","","140702161847002","","10.1021/om500610w","","","0.71075","MoKα","","","0.0186","","","","0.0488","","","","","","1.057","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083888","13.3275","0.0012","7.9823","0.0006","41.362","0.004","90","","97.754","0.003","90","","4360","0.7","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C21 H26 Au Cl N2 Se -","- C21 H26 Au Cl N2 Se -","- C168 H208 Au8 Cl8 N16 Se8 -","8","1","","Nelson, David J.; Nahra, Fady; Patrick, Scott R.; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Exploring the Coordination of Cyclic Selenoureas to Gold(I)","Organometallics","2014","","","140702161847002","","10.1021/om500610w","","","0.71075","MoKα","","","0.0164","","","","0.0424","","","","","","1.01","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083889","13.4989","0.0004","14.8937","0.0004","17.8696","0.0005","113.418","0.01","98.65","0.01","103.321","0.01","3088","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C66.5 H64 Cl4 P4 Ru Si -","- C66.5 H64 Cl4 P4 Ru Si -","- C133 H128 Cl8 P8 Ru2 Si2 -","2","1","","Marqués-González, Santiago; Parthey, Matthias; Yufit, Dmitry S.; Howard, Judith A. K.; Kaupp, Martin; Low, Paul J.","Combined Spectroscopic and Quantum Chemical Study of [trans-Ru(C\τb CC6H4R1-4)2(dppe)2]n+and [trans-Ru(C≡CC6H4R1-4)(C\τb CC6H4R2-4)(dppe)2]n+(n= 0, 1) Complexes: Interpretations beyond the Lowest Energy Conformer Paradigm","Organometallics","2014","33","18","4947","","10.1021/om500265s","","x-ray","0.71073","MoKα","K-L~3~","0.1132","0.0627","","","0.157","0.178","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083891","11.5037","0.0007","22.4968","0.0008","19.4374","0.001","90","","94.037","0.006","90","","5017.8","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H53 Cl P4 Ru -","- C62 H53 Cl P4 Ru -","- C248 H212 Cl4 P16 Ru4 -","4","1","","Marqués-González, Santiago; Parthey, Matthias; Yufit, Dmitry S.; Howard, Judith A. K.; Kaupp, Martin; Low, Paul J.","Combined Spectroscopic and Quantum Chemical Study of [trans-Ru(C\τb CC6H4R1-4)2(dppe)2]n+and [trans-Ru(C≡CC6H4R1-4)(C\τb CC6H4R2-4)(dppe)2]n+(n= 0, 1) Complexes: Interpretations beyond the Lowest Energy Conformer Paradigm","Organometallics","2014","33","18","4947","","10.1021/om500265s","","","0.6889","synchrotron","","0.047","0.0376","","","0.0936","0.0987","","","","","","1.091","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083892","9.8038","0.0007","12.51","0.0005","23.4636","0.0016","77.54","0.005","78.486","0.006","68.888","0.005","2597.7","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H57 Cl P4 Ru Si -","- C59 H57 Cl P4 Ru Si -","- C118 H114 Cl2 P8 Ru2 Si2 -","2","1","","Marqués-González, Santiago; Parthey, Matthias; Yufit, Dmitry S.; Howard, Judith A. K.; Kaupp, Martin; Low, Paul J.","Combined Spectroscopic and Quantum Chemical Study of [trans-Ru(C\τb CC6H4R1-4)2(dppe)2]n+and [trans-Ru(C≡CC6H4R1-4)(C\τb CC6H4R2-4)(dppe)2]n+(n= 0, 1) Complexes: Interpretations beyond the Lowest Energy Conformer Paradigm","Organometallics","2014","33","18","4947","","10.1021/om500265s","","","0.7107","MoKα","","0.0999","0.0558","","","0.08","0.0969","","","","","","0.956","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083893","9.4458","0.0004","12.9907","0.0006","13.589","0.0006","117.314","0.001","94.871","0.001","104.724","0.001","1392.94","0.11","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H62 P4 Ru -","- C70 H62 P4 Ru -","- C70 H62 P4 Ru -","1","0.5","","Marqués-González, Santiago; Parthey, Matthias; Yufit, Dmitry S.; Howard, Judith A. K.; Kaupp, Martin; Low, Paul J.","Combined Spectroscopic and Quantum Chemical Study of [trans-Ru(C\τb CC6H4R1-4)2(dppe)2]n+and [trans-Ru(C≡CC6H4R1-4)(C\τb CC6H4R2-4)(dppe)2]n+(n= 0, 1) Complexes: Interpretations beyond the Lowest Energy Conformer Paradigm","Organometallics","2014","33","18","4947","","10.1021/om500265s","","x-ray","0.71073","MoKα","K-L~3~","0.0515","0.0397","","","0.1004","0.1078","","","","","","1.056","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083894","9.6718","0.0002","13.2334","0.0003","15.1804","0.0004","78.104","0.01","76.997","0.01","72.329","0.01","1783.81","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H80 Cl6 P4 Ru -","- C80 H80 Cl6 P4 Ru -","- C80 H80 Cl6 P4 Ru -","1","0.5","","Marqués-González, Santiago; Parthey, Matthias; Yufit, Dmitry S.; Howard, Judith A. K.; Kaupp, Martin; Low, Paul J.","Combined Spectroscopic and Quantum Chemical Study of [trans-Ru(C\τb CC6H4R1-4)2(dppe)2]n+and [trans-Ru(C≡CC6H4R1-4)(C\τb CC6H4R2-4)(dppe)2]n+(n= 0, 1) Complexes: Interpretations beyond the Lowest Energy Conformer Paradigm","Organometallics","2014","33","18","4947","","10.1021/om500265s","","x-ray","0.71073","MoKα","K-L~3~","0.05","0.033","","","0.0699","0.075","","","","","","0.932","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083895","9.3908","0.0003","12.8371","0.0004","13.8661","0.0004","97.95","0.01","108.731","0.01","92.244","0.01","1561.59","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C79 H70 O4 P4 Ru -","- C79 H70 O4 P4 Ru -","- C79 H70 O4 P4 Ru -","1","0.5","","Marqués-González, Santiago; Parthey, Matthias; Yufit, Dmitry S.; Howard, Judith A. K.; Kaupp, Martin; Low, Paul J.","Combined Spectroscopic and Quantum Chemical Study of [trans-Ru(C\τb CC6H4R1-4)2(dppe)2]n+and [trans-Ru(C≡CC6H4R1-4)(C\τb CC6H4R2-4)(dppe)2]n+(n= 0, 1) Complexes: Interpretations beyond the Lowest Energy Conformer Paradigm","Organometallics","2014","33","18","4947","","10.1021/om500265s","","x-ray","0.71073","MoKα","K-L~3~","0.0514","0.0347","","","0.0667","0.0714","","","","","","0.969","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083896","10.8015","0.0004","12.4654","0.0004","16.4565","0.0006","94.896","0.001","105.108","0.001","103.004","0.001","2059.77","0.13","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C84 H78 Br0.1 Cl12 P4 Ru -","- C84 H78 Br0.1 Cl12 P4 Ru -","- C84 H78 Br0.1 Cl12 P4 Ru -","1","0.5","","Marqués-González, Santiago; Parthey, Matthias; Yufit, Dmitry S.; Howard, Judith A. K.; Kaupp, Martin; Low, Paul J.","Combined Spectroscopic and Quantum Chemical Study of [trans-Ru(C\τb CC6H4R1-4)2(dppe)2]n+and [trans-Ru(C≡CC6H4R1-4)(C\τb CC6H4R2-4)(dppe)2]n+(n= 0, 1) Complexes: Interpretations beyond the Lowest Energy Conformer Paradigm","Organometallics","2014","33","18","4947","","10.1021/om500265s","","x-ray","0.71073","MoKα","K-L~3~","0.0543","0.0429","","","0.1067","0.1141","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083897","9.4265","0.0004","13.513","0.0005","14.2919","0.0006","76.253","0.002","74.292","0.003","71.596","0.002","1639.65","0.12","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H74 P4 Ru Si2 -","- C78 H74 P4 Ru Si2 -","- C78 H74 P4 Ru Si2 -","1","0.5","","Marqués-González, Santiago; Parthey, Matthias; Yufit, Dmitry S.; Howard, Judith A. K.; Kaupp, Martin; Low, Paul J.","Combined Spectroscopic and Quantum Chemical Study of [trans-Ru(C\τb CC6H4R1-4)2(dppe)2]n+and [trans-Ru(C≡CC6H4R1-4)(C\τb CC6H4R2-4)(dppe)2]n+(n= 0, 1) Complexes: Interpretations beyond the Lowest Energy Conformer Paradigm","Organometallics","2014","33","18","4947","","10.1021/om500265s","","x-ray","0.71073","MoKα","K-L~3~","0.0711","0.0453","","","0.1029","0.1119","","","","","","0.99","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083898","9.6711","0.0002","12.9728","0.0003","23.8066","0.0006","81.22","0.01","86.794","0.01","83.989","0.01","2933.15","0.15","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H60 Cl2 P4 Ru -","- C73 H60 Cl2 P4 Ru -","- C146 H120 Cl4 P8 Ru2 -","2","1","","Marqués-González, Santiago; Parthey, Matthias; Yufit, Dmitry S.; Howard, Judith A. K.; Kaupp, Martin; Low, Paul J.","Combined Spectroscopic and Quantum Chemical Study of [trans-Ru(C\τb CC6H4R1-4)2(dppe)2]n+and [trans-Ru(C≡CC6H4R1-4)(C\τb CC6H4R2-4)(dppe)2]n+(n= 0, 1) Complexes: Interpretations beyond the Lowest Energy Conformer Paradigm","Organometallics","2014","33","18","4947","","10.1021/om500265s","","x-ray","0.71073","MoKα","K-L~3~","0.0732","0.0439","","","0.1027","0.1156","","","","","","1.038","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083899","9.3537","0.0003","12.996","0.0004","13.4808","0.0004","117.164","0.001","95.632","0.001","103.708","0.001","1375.51","0.08","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H60 N2 P4 Ru -","- C68 H60 N2 P4 Ru -","- C68 H60 N2 P4 Ru -","1","0.5","","Marqués-González, Santiago; Parthey, Matthias; Yufit, Dmitry S.; Howard, Judith A. K.; Kaupp, Martin; Low, Paul J.","Combined Spectroscopic and Quantum Chemical Study of [trans-Ru(C\τb CC6H4R1-4)2(dppe)2]n+and [trans-Ru(C≡CC6H4R1-4)(C\τb CC6H4R2-4)(dppe)2]n+(n= 0, 1) Complexes: Interpretations beyond the Lowest Energy Conformer Paradigm","Organometallics","2014","33","18","4947","","10.1021/om500265s","","x-ray","0.71073","MoKα","K-L~3~","0.0511","0.039","","","0.0911","0.0992","","","","","","1.041","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083900","9.1943","0.0004","12.7621","0.0005","13.5658","0.0006","76.576","0.001","89.853","0.001","80.994","0.001","1528.27","0.11","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C77 H69 O2 P4 Ru -","- C77 H69 O2 P4 Ru -","- C77 H69 O2 P4 Ru -","1","0.5","","Marqués-González, Santiago; Parthey, Matthias; Yufit, Dmitry S.; Howard, Judith A. K.; Kaupp, Martin; Low, Paul J.","Combined Spectroscopic and Quantum Chemical Study of [trans-Ru(C\τb CC6H4R1-4)2(dppe)2]n+and [trans-Ru(C≡CC6H4R1-4)(C\τb CC6H4R2-4)(dppe)2]n+(n= 0, 1) Complexes: Interpretations beyond the Lowest Energy Conformer Paradigm","Organometallics","2014","33","18","4947","","10.1021/om500265s","","x-ray","0.71073","MoKα","K-L~3~","0.0414","0.0348","","","0.0886","0.0934","","","","","","1.052","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083901","11.56","0.001","12.8939","0.0013","20.363","0.002","90.082","0.005","96.135","0.005","111.999","0.005","2795.2","0.5","93","2","93","2","","","","","","","","5","P -1","-P 1","2","di-mu-carbonyl-dicarbonyl-bis[2,5-bis(phenyldimethylsilyl)-3,4-dipropyl- cyclopentadienone]dicobalt","di-mu-carbonyl-dicarbonyl-bis[(2,3,4,5-eta)-2,5-bis[dimethyl(phenyl)silyl]- 3,4-dipropyl-cyclopenta-2,4-dien-1-one]bis[cobalt(0)](Co-Co)","","- C58 H72 Co2 O6 Si4 -","- C58 H72 Co2 O6 Si4 -","- C116 H144 Co4 O12 Si8 -","2","1","","Hoffmann, Florian; Wagler, Jörg; Roewer, Gerhard","Cyclopentadienone and Hydroxycyclopentadienyl Cobalt Complexes from the Reaction of an Alkynylphenylsilane with Co2(CO)8","Organometallics","2014","33","20","5622","","10.1021/om500488w","","","0.71073","MoKα","","0.0607","0.0371","","","0.0836","0.0902","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083902","9.8534","0.0005","10.12","0.0005","14.8662","0.0006","93.369","0.002","99.713","0.002","98.045","0.002","1441.61","0.12","93","2","93","2","","","","","","","","5","P -1","-P 1","2","[1-hydroxy-2,5-bis(phenyldimethylsilyl)-3,4-dipropyl-cyclopentadienyl]- cobaltdicarbonyl","dicarbonyl{eta5-1-hydroxy-2,5-bis[dimethyl(phenyl)silyl]-3,4-dipropyl- cyclopentadienyl}cobalt(I)","","- C29 H37 Co O3 Si2 -","- C29 H37 Co O3 Si2 -","- C58 H74 Co2 O6 Si4 -","2","1","","Hoffmann, Florian; Wagler, Jörg; Roewer, Gerhard","Cyclopentadienone and Hydroxycyclopentadienyl Cobalt Complexes from the Reaction of an Alkynylphenylsilane with Co2(CO)8","Organometallics","2014","33","20","5622","","10.1021/om500488w","","","0.71073","MoKα","","0.0501","0.0319","","","0.0693","0.0742","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083903","13.067","0.002","27.509","0.005","15.892","0.003","90","","113.055","0.004","90","","5256.3","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H43 Cl9 N5 O Rh -","- C56 H40 N5 O Rh -","- C224 H160 N20 O4 Rh4 -","4","1","","Thompson, Samuel J.; Dong, Guangbin","Alkylation of Rhodium Porphyrins Using Ammonium and Quinolinium Salts","Organometallics","2014","33","14","3757","","10.1021/om500438s","","","0.71073","MoKα","","0.0852","0.0577","","","0.1374","0.1439","","","","","","1.242","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083904","9.9873","0.0005","16.2797","0.0008","21.6289","0.0011","90","","95.864","0.003","90","","3498.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H35 N4 Rh -","- C47 H35 N4 Rh -","- C188 H140 N16 Rh4 -","4","1","","Thompson, Samuel J.; Dong, Guangbin","Alkylation of Rhodium Porphyrins Using Ammonium and Quinolinium Salts","Organometallics","2014","33","14","3757","","10.1021/om500438s","","","0.71073","MoKα","","0.0439","0.0332","","","0.0765","0.0815","","","","","","1.009","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4083905","14.6621","0.0016","15.8247","0.0017","28.984","0.003","101.152","0.003","94.315","0.003","110.111","0.003","6121.9","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H37 Cl4 N4 Rh -","- C48.983 H36.9983 Cl3.93867 N4 Rh -","- C293.898 H221.99 Cl23.632 N24 Rh6 -","6","3","","Thompson, Samuel J.; Dong, Guangbin","Alkylation of Rhodium Porphyrins Using Ammonium and Quinolinium Salts","Organometallics","2014","33","14","3757","","10.1021/om500438s","","","0.71075","MoKα","","0.1202","0.0892","","","0.2287","0.2451","","","","","","1.303","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083906","11.235","0.0008","13.1958","0.001","13.8948","0.001","104.215","0.002","107.305","0.002","99.963","0.002","1837.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H33 Cl2 N4 Rh -","- C46.5 H33 Cl2 N4 Rh -","- C93 H66 Cl4 N8 Rh2 -","2","1","","Thompson, Samuel J.; Dong, Guangbin","Alkylation of Rhodium Porphyrins Using Ammonium and Quinolinium Salts","Organometallics","2014","33","14","3757","","10.1021/om500438s","","","0.71073","MoKα","","0.0825","0.0597","","","0.1084","0.1178","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083907","18.1346","0.0011","34.955","0.002","22.1283","0.0011","90","","101.472","0.003","90","","13746.8","1.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55.6667 H44 Cl2 N5 O2 Rh -","- C53.3333 H39 Cl N5 O2 Rh -","- C640 H468 Cl12 N60 O24 Rh12 -","12","3","","Thompson, Samuel J.; Dong, Guangbin","Alkylation of Rhodium Porphyrins Using Ammonium and Quinolinium Salts","Organometallics","2014","33","14","3757","","10.1021/om500438s","","","0.71073","MoKα","","0.0596","0.0381","","","0.0973","0.1106","","","","","","1.153","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4083908","12.8647","0.0003","15.1967","0.0004","8.631","0.0002","90","","108.738","0.001","90","","1597.93","0.07","150","","150","","","","","","","","SYN","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl Ti -","- C19 H23 Cl Ti -","- C76 H92 Cl4 Ti4 -","4","1","","Chadwick, F. Mark; Cooper, Robert T.; Ashley, Andrew E.; Buffet, Jean-Charles; O’Hare, Dermot M.","Early Transition Metal Permethylpentalene Complexes for the Polymerization of Ethylene","Organometallics","2014","33","14","3775","","10.1021/om5004754","","","0.71073","MoKα","","0.0645","0.0417","","0.1025","0.0869","0.1025","","","","","","0.9324","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083909","13.0988","0.0004","15.4055","0.0006","8.6435","0.0003","90","","108.877","0.0017","90","","1650.39","0.1","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl Zr -","- C19 H23 Cl Zr -","- C76 H92 Cl4 Zr4 -","4","1","","Chadwick, F. Mark; Cooper, Robert T.; Ashley, Andrew E.; Buffet, Jean-Charles; O’Hare, Dermot M.","Early Transition Metal Permethylpentalene Complexes for the Polymerization of Ethylene","Organometallics","2014","33","14","3775","","10.1021/om5004754","","","0.71073","MoKα","","0.055","0.0303","","0.0605","0.0324","0.0324","","","","","","1.1267","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083910","13.0761","0.0006","15.3535","0.0006","8.6382","0.0004","90","","108.804","0.0018","90","","1641.68","0.13","150","","150","","","","101","","","","SYN","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl Hf -","- C19 H23 Cl Hf -","- C76 H92 Cl4 Hf4 -","4","1","","Chadwick, F. Mark; Cooper, Robert T.; Ashley, Andrew E.; Buffet, Jean-Charles; O’Hare, Dermot M.","Early Transition Metal Permethylpentalene Complexes for the Polymerization of Ethylene","Organometallics","2014","33","14","3775","","10.1021/om5004754","","","0.71073","MoKα","","0.044","0.0364","","0.1009","0.0897","0.1009","","","","","","0.9391","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083911","8.558","0.0002","8.8507","0.0002","14.4309","0.0004","76.3148","0.0012","87.398","0.0012","62.8115","0.0012","942.19","0.04","150","","150","","","","","","","","SYN","3","P -1","-P 1","2","","","","- C24 H28 Ti -","- C24 H28 Ti -","- C48 H56 Ti2 -","2","1","","Chadwick, F. Mark; Cooper, Robert T.; Ashley, Andrew E.; Buffet, Jean-Charles; O’Hare, Dermot M.","Early Transition Metal Permethylpentalene Complexes for the Polymerization of Ethylene","Organometallics","2014","33","14","3775","","10.1021/om5004754","","","0.71073","MoKα","","0.0891","0.0558","","0.1438","0.1076","0.1438","","","","","","0.892","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083912","8.8304","0.0001","8.8783","0.0001","14.3868","0.0002","75.8081","0.0007","86.3727","0.0007","62.3999","0.0007","967.39","0.02","150","","150","","","","","","","","SYN","3","P -1","-P 1","2","","","","- C24 H28 Zr -","- C24 H28 Zr -","- C48 H56 Zr2 -","2","1","","Chadwick, F. Mark; Cooper, Robert T.; Ashley, Andrew E.; Buffet, Jean-Charles; O’Hare, Dermot M.","Early Transition Metal Permethylpentalene Complexes for the Polymerization of Ethylene","Organometallics","2014","33","14","3775","","10.1021/om5004754","","","0.71073","MoKα","","0.0284","0.0268","","0.0679","0.0659","0.0679","","","","","","0.6545","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083913","8.7793","0.0002","8.8597","0.0002","14.3991","0.0004","75.8512","0.0011","86.5774","0.001","62.3409","0.0012","960.02","0.04","150","","150","","","","101","","","","SYN","3","P -1","-P 1","2","","","","- C24 H28 Hf -","- C24 H28 Hf -","- C48 H56 Hf2 -","2","1","","Chadwick, F. Mark; Cooper, Robert T.; Ashley, Andrew E.; Buffet, Jean-Charles; O’Hare, Dermot M.","Early Transition Metal Permethylpentalene Complexes for the Polymerization of Ethylene","Organometallics","2014","33","14","3775","","10.1021/om5004754","","","0.71073","MoKα","","0.0291","0.0259","","0.0657","0.0621","0.0657","","","","","","0.9031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083914","8.7726","0.0002","15.9336","0.0003","15.7671","0.0003","90","","101.446","0.001","90","","2160.08","0.08","150","","150","","","","","","","","SYN","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 Cl Zr -","- C24 H33 Cl Zr -","- C96 H132 Cl4 Zr4 -","4","1","","Chadwick, F. Mark; Cooper, Robert T.; Ashley, Andrew E.; Buffet, Jean-Charles; O’Hare, Dermot M.","Early Transition Metal Permethylpentalene Complexes for the Polymerization of Ethylene","Organometallics","2014","33","14","3775","","10.1021/om5004754","","","0.71073","MoKα","","0.0414","0.0349","","0.0901","0.0813","0.0901","","","","","","0.9218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083915","8.7602","0.0001","15.9512","0.0003","15.6731","0.0003","90","","101.685","0.0008","90","","2144.7","0.06","150","","150","","","","101","","","","SYN","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 Cl Hf -","- C24 H33 Cl Hf -","- C96 H132 Cl4 Hf4 -","4","1","","Chadwick, F. Mark; Cooper, Robert T.; Ashley, Andrew E.; Buffet, Jean-Charles; O’Hare, Dermot M.","Early Transition Metal Permethylpentalene Complexes for the Polymerization of Ethylene","Organometallics","2014","33","14","3775","","10.1021/om5004754","","","0.71073","MoKα","","0.0351","0.0315","","0.0822","0.0785","0.0822","","","","","","0.9203","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083916","9.51","0.005","20.961","0.005","16.071","0.005","90","","106.194","0.005","90","","3076","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 Hf2 N3 O -","- C33 H47 Hf2 N3 O -","- C132 H188 Hf8 N12 O4 -","4","1","","Semproni, Scott P.; Chirik, Paul J.","N‒H and N‒C Bond Formation with an N2-Derived Dihafnium μ-Nitrido Complex","Organometallics","2014","33","14","3727","","10.1021/om500393n","","","0.71073","MoKα","","0.0179","0.0146","","","0.0327","0.0339","","","","","","1.049","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083917","19.8375","0.0007","11.5386","0.0004","18.1581","0.0007","90","","95.532","0.001","90","","4137","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H61 Hf2 N3 O3 -","- C41 H61 Hf2 N3 O3 -","- C164 H244 Hf8 N12 O12 -","4","1","","Semproni, Scott P.; Chirik, Paul J.","N‒H and N‒C Bond Formation with an N2-Derived Dihafnium μ-Nitrido Complex","Organometallics","2014","33","14","3727","","10.1021/om500393n","","","0.71073","MoKα","","0.0261","0.0241","","","0.0608","0.0623","","","","","","0.759","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083918","9.6695","0.0007","35.852","0.003","10.5549","0.0008","90","","98.504","0.001","90","","3618.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H56 Hf2 N2 O2 -","- C39 H56 Hf2 N2 O2 -","- C156 H224 Hf8 N8 O8 -","4","1","","Semproni, Scott P.; Chirik, Paul J.","N‒H and N‒C Bond Formation with an N2-Derived Dihafnium μ-Nitrido Complex","Organometallics","2014","33","14","3727","","10.1021/om500393n","","","0.71073","MoKα","","0.0296","0.0225","","","0.0416","0.0484","","","","","","1.179","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083919","10.1858","0.0012","12.4686","0.0014","14.8013","0.0016","112.29","0.003","93.368","0.003","92.903","0.002","1730.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H51 F Hf2 N2 O -","- C39 H51 F Hf2 N2 O -","- C78 H102 F2 Hf4 N4 O2 -","2","1","","Semproni, Scott P.; Chirik, Paul J.","N‒H and N‒C Bond Formation with an N2-Derived Dihafnium μ-Nitrido Complex","Organometallics","2014","33","14","3727","","10.1021/om500393n","","","0.71073","MoKα","","0.0327","0.0259","","","0.0762","0.0988","","","","","","1.161","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083920","11.9235","0.0011","12.8999","0.0012","15.759","0.0014","77.126","0.002","72.457","0.002","73.501","0.002","2190.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H63 F Hf2 N2 O Si -","- C46 H63 F Hf2 N2 O Si -","- C92 H126 F2 Hf4 N4 O2 Si2 -","2","1","","Semproni, Scott P.; Chirik, Paul J.","N‒H and N‒C Bond Formation with an N2-Derived Dihafnium μ-Nitrido Complex","Organometallics","2014","33","14","3727","","10.1021/om500393n","","","0.71073","MoKα","","0.0308","0.0238","","","0.0615","0.0757","","","","","","1.148","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083921","9.3308","0.0008","11.3211","0.0009","17.9171","0.0015","85.088","0.001","77.59","0.001","82.518","0.001","1829.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H108 F Hf4 N4 O2 -","- C82 H108 F Hf4 N4 O2 -","- C82 H108 F Hf4 N4 O2 -","1","0.5","","Semproni, Scott P.; Chirik, Paul J.","N‒H and N‒C Bond Formation with an N2-Derived Dihafnium μ-Nitrido Complex","Organometallics","2014","33","14","3727","","10.1021/om500393n","","","0.71073","MoKα","","0.0185","0.0159","","","0.0377","0.0393","","","","","","1.032","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083922","34.045","0.005","16.26","0.005","15.844","0.005","90","","115.957","0.005","90","","7886","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H55 F Hf2 N2 O2 -","- C43 H55 F Hf2 N2 O2 -","- C344 H440 F8 Hf16 N16 O16 -","8","1","","Semproni, Scott P.; Chirik, Paul J.","N‒H and N‒C Bond Formation with an N2-Derived Dihafnium μ-Nitrido Complex","Organometallics","2014","33","14","3727","","10.1021/om500393n","","","0.71073","MoKα","","0.0269","0.0221","","","0.0536","0.0566","","","","","","1.054","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083923","9.52","0.005","15.189","0.005","28.341","0.005","90","","98.04","0.005","90","","4058","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43.83 H57.5 Hf2 N2 O Si -","- C43.832 H57.496 Hf2 N2 O Si -","- C175.328 H229.984 Hf8 N8 O4 Si4 -","4","1","","Semproni, Scott P.; Chirik, Paul J.","N‒H and N‒C Bond Formation with an N2-Derived Dihafnium μ-Nitrido Complex","Organometallics","2014","33","14","3727","","10.1021/om500393n","","","0.71073","MoKα","","0.0454","0.0296","","","0.0742","0.0885","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083924","18.967","0.005","11.001","0.005","19.83","0.005","90","","107.971","0.005","90","","3936","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H112 F Hf4 N4 O2 -","- C92 H112 F Hf4 N4 O2 -","- C184 H224 F2 Hf8 N8 O4 -","2","0.5","","Semproni, Scott P.; Chirik, Paul J.","N‒H and N‒C Bond Formation with an N2-Derived Dihafnium μ-Nitrido Complex","Organometallics","2014","33","14","3727","","10.1021/om500393n","","","0.71073","MoKα","","0.0258","0.0204","","","0.0462","0.0487","","","","","","1.021","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083925","9.9406","0.0004","27.2646","0.001","15.8255","0.0006","90","","100.121","0.0004","90","","4222.4","0.3","88","2","88","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H74 Lu Y -","- C47 H74 Lu Y -","- C188 H296 Lu4 Y4 -","4","1","","Fieser, Megan E.; Mueller, Thomas J.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Differentiating Chemically Similar Lewis Acid Sites in Heterobimetallic Complexes: The Rare-Earth Bridged Hydride (C5Me5)2Ln(μ-H)2Ln′(C5Me5)2and Tuckover Hydride (C5Me5)2Ln(μ-H)(μ-η1:η5-CH2C5Me4)Ln′(C5Me5) Systems","Organometallics","2014","33","14","3882","","10.1021/om500624x","","","0.71073","MoKα","","0.0324","0.0293","","","0.0592","0.06","","","","","","1.219","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4083926","10.485","0.0008","10.8635","0.0008","17.1425","0.0013","102.753","0.0009","102.038","0.0009","99.3623","0.0009","1817.4","0.2","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H60 La Lu -","- C40 H60 La Lu -","- C80 H120 La2 Lu2 -","2","1","","Fieser, Megan E.; Mueller, Thomas J.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Differentiating Chemically Similar Lewis Acid Sites in Heterobimetallic Complexes: The Rare-Earth Bridged Hydride (C5Me5)2Ln(μ-H)2Ln′(C5Me5)2and Tuckover Hydride (C5Me5)2Ln(μ-H)(μ-η1:η5-CH2C5Me4)Ln′(C5Me5) Systems","Organometallics","2014","33","14","3882","","10.1021/om500624x","","","0.71073","MoKα","","0.079","0.0595","","","0.1513","0.1633","","","","","","1.035","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083927","19.161","0.003","10.5861","0.0018","21.331","0.004","90","","111.093","0.003","90","","4036.9","1.2","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H37 Cl3 O3 P2 Ru S -","- C44 H37 Cl3 O3 P2 Ru S -","- C176 H148 Cl12 O12 P8 Ru4 S4 -","4","1","","Bashir, Oumar; Piche, Laurence; Claverie, Jerome P.","18-Electron Ruthenium Phosphine Sulfonate Catalysts for Olefin Metathesis","Organometallics","2014","33","14","3695","","10.1021/om500212x","","","0.71073","MoKα","","0.1031","0.0585","","","0.1081","0.1287","","","","","","0.992","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083928","11.0027","0.0013","18.219","0.002","20.224","0.002","90","","103.296","0.002","90","","3945.4","0.7","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H47 Cl O3 P2 Ru S -","- C43 H47 Cl O3 P2 Ru S -","- C172 H188 Cl4 O12 P8 Ru4 S4 -","4","1","","Bashir, Oumar; Piche, Laurence; Claverie, Jerome P.","18-Electron Ruthenium Phosphine Sulfonate Catalysts for Olefin Metathesis","Organometallics","2014","33","14","3695","","10.1021/om500212x","","","0.71073","MoKα","","0.0903","0.0444","","","0.0781","0.0939","","","","","","1.004","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083929","21.766","0.003","18.131","0.003","22.381","0.004","90","","90","","90","","8832","2","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C53 H44 Cl O3.5 P2 Ru S -","- C53 H44 Cl O3.5 P2 Ru S -","- C424 H352 Cl8 O28 P16 Ru8 S8 -","8","1","","Bashir, Oumar; Piche, Laurence; Claverie, Jerome P.","18-Electron Ruthenium Phosphine Sulfonate Catalysts for Olefin Metathesis","Organometallics","2014","33","14","3695","","10.1021/om500212x","","","0.71073","MoKα","","0.1424","0.0586","","","0.1094","0.1418","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083930","10.3632","0.0008","11.2217","0.0009","11.5003","0.0009","117.744","0.001","107.588","0.001","95.622","0.001","1082.24","0.15","250","2","250","2","","","","","","","","6","P 1","P 1","1","","","","- C51 H38 O6 P2 Ru S2 -","- C51 H38 O6 P2 Ru S2 -","- C51 H38 O6 P2 Ru S2 -","1","1","","Bashir, Oumar; Piche, Laurence; Claverie, Jerome P.","18-Electron Ruthenium Phosphine Sulfonate Catalysts for Olefin Metathesis","Organometallics","2014","33","14","3695","","10.1021/om500212x","","","0.71073","MoKα","","0.0295","0.0283","","","0.0654","0.0664","","","","","","1.018","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083931","9.3934","0.0017","9.8831","0.0018","15.037","0.003","88.339","0.002","88.353","0.002","86.076","0.002","1391.6","0.5","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C25 H31 B2 F8 Fe N4 -","- C25 H31 B2 F8 Fe N4 -","- C50 H62 B4 F16 Fe2 N8 -","2","1","","Cardoso, João M. S.; Fernandes, Ana; Cardoso, Bernardo de P.; Carvalho, Maria Deus; Ferreira, Liliana P.; Calhorda, Maria José; Royo, Beatriz","Cationic Half-Sandwich Iron(II) and Iron(III) Complexes with N-Heterocyclic Carbene Ligands","Organometallics","2014","33","20","5670","","10.1021/om500528p","","x-ray","0.7107","MoKα","","0.0354","0.0314","","","0.0787","0.0814","","","","","","1.054","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083932","11.9364","0.0004","13.6834","0.0004","16.5537","0.0005","90","","90.471","0.002","90","","2703.63","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Fe-DMSO-OTf","","","- C25 H31 F3 Fe N2 O5 S2 -","- C25 H31 F3 Fe N2 O5 S2 -","- C100 H124 F12 Fe4 N8 O20 S8 -","4","1","","Cardoso, João M. S.; Fernandes, Ana; Cardoso, Bernardo de P.; Carvalho, Maria Deus; Ferreira, Liliana P.; Calhorda, Maria José; Royo, Beatriz","Cationic Half-Sandwich Iron(II) and Iron(III) Complexes with N-Heterocyclic Carbene Ligands","Organometallics","2014","33","20","5670","","10.1021/om500528p","","x-ray","0.71073","MoKα","","0.0533","0.0331","","","0.0692","0.0761","","","","","","1.028","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083933","12.978","0.003","18.798","0.009","15.313","0.004","90","","98.71","0.02","90","","3693","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H28 Fe2 O6 Ru2 -","- C46 H28 Fe2 O6 Ru2 -","- C184 H112 Fe8 O24 Ru8 -","4","1","","Mathur, Pradeep; Rai, Dhirendra K.; Joshi, Raj K.; Jha, Badrinath; Mobin, Shaikh M.","Synthesis of Novel Allene-Coordinated, Phosphido-Bridged Ru2Pt Clusters Involving Enyne to Allene Transformation","Organometallics","2014","33","14","3857","","10.1021/om500561b","","","0.71073","MoKα","","0.0415","0.0326","","","0.0838","0.089","","","","","","1.017","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083934","18.0763","0.0004","7.3167","0.0002","28.2952","0.0006","90","","92.099","0.002","90","","3739.78","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H28 Fe2 O6 Ru2 -","- C46 H28 Fe2 O6 Ru2 -","- C184 H112 Fe8 O24 Ru8 -","4","1","","Mathur, Pradeep; Rai, Dhirendra K.; Joshi, Raj K.; Jha, Badrinath; Mobin, Shaikh M.","Synthesis of Novel Allene-Coordinated, Phosphido-Bridged Ru2Pt Clusters Involving Enyne to Allene Transformation","Organometallics","2014","33","14","3857","","10.1021/om500561b","","","0.71073","MoKα","","0.0483","0.0287","","","0.0544","0.0567","","","","","","0.842","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083935","17.737","0.004","13.2614","0.0013","33.972","0.004","90","","90.876","0.015","90","","7990","2","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H28 Fe2 O6 Ru2 -","- C46 H28 Fe2 O6 Ru2 -","- C368 H224 Fe16 O48 Ru16 -","8","2","","Mathur, Pradeep; Rai, Dhirendra K.; Joshi, Raj K.; Jha, Badrinath; Mobin, Shaikh M.","Synthesis of Novel Allene-Coordinated, Phosphido-Bridged Ru2Pt Clusters Involving Enyne to Allene Transformation","Organometallics","2014","33","14","3857","","10.1021/om500561b","","","0.71073","MoKα","","0.1285","0.0718","","","0.1817","0.221","","","","","","1.043","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083936","18.2974","0.0003","9.4719","0.0001","23.728","0.0004","90","","108.98","0.002","90","","3888.75","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H28 Fe2 O6 Ru2 -","- C46 H28 Fe2 O6 Ru2 -","- C184 H112 Fe8 O24 Ru8 -","4","1","","Mathur, Pradeep; Rai, Dhirendra K.; Joshi, Raj K.; Jha, Badrinath; Mobin, Shaikh M.","Synthesis of Novel Allene-Coordinated, Phosphido-Bridged Ru2Pt Clusters Involving Enyne to Allene Transformation","Organometallics","2014","33","14","3857","","10.1021/om500561b","","","0.71073","MoKα","","0.0301","0.0218","","","0.0493","0.0506","","","","","","0.927","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083937","10.3634","0.001","11.5932","0.0009","17.3141","0.0016","87.687","0.007","73.545","0.008","88.782","0.007","1993.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Fe2 O6 Ru2 -","- C46 H28 Fe2 O6 Ru2 -","- C92 H56 Fe4 O12 Ru4 -","2","1","","Mathur, Pradeep; Rai, Dhirendra K.; Joshi, Raj K.; Jha, Badrinath; Mobin, Shaikh M.","Synthesis of Novel Allene-Coordinated, Phosphido-Bridged Ru2Pt Clusters Involving Enyne to Allene Transformation","Organometallics","2014","33","14","3857","","10.1021/om500561b","","","0.71073","MoKα","","0.0665","0.0424","","","0.08","0.0905","","","","","","1.014","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083938","14.0567","0.0018","10.4381","0.0012","28.404","0.005","90","","99.102","0.014","90","","4115.1","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H28 Fe2 O7 Ru2 -","- C47 H28 Fe2 O7 Ru2 -","- C188 H112 Fe8 O28 Ru8 -","4","1","","Mathur, Pradeep; Rai, Dhirendra K.; Joshi, Raj K.; Jha, Badrinath; Mobin, Shaikh M.","Synthesis of Novel Allene-Coordinated, Phosphido-Bridged Ru2Pt Clusters Involving Enyne to Allene Transformation","Organometallics","2014","33","14","3857","","10.1021/om500561b","","","0.71073","MoKα","","0.122","0.0452","","","0.0549","0.0637","","","","","","0.701","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083939","11.5193","0.0004","14.294","0.0006","19.6261","0.0005","102.376","0.003","106.919","0.003","104.675","0.003","2842.3","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H43 Fe2 O6 P Pt Ru2 -","- C64 H43 Fe2 O6 P Pt Ru2 -","- C128 H86 Fe4 O12 P2 Pt2 Ru4 -","2","1","","Mathur, Pradeep; Rai, Dhirendra K.; Joshi, Raj K.; Jha, Badrinath; Mobin, Shaikh M.","Synthesis of Novel Allene-Coordinated, Phosphido-Bridged Ru2Pt Clusters Involving Enyne to Allene Transformation","Organometallics","2014","33","14","3857","","10.1021/om500561b","","","0.71073","MoKα","","0.0671","0.0447","","","0.0774","0.0841","","","","","","1.054","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083940","13.333","0.003","14.261","0.003","18.007","0.003","79.14","0.016","74.552","0.018","72.84","0.02","3130.8","1.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H43 Fe2 O9 P Pt Ru2 -","- C64 H43 Fe2 O9 P Pt Ru2 -","- C128 H86 Fe4 O18 P2 Pt2 Ru4 -","2","1","","Mathur, Pradeep; Rai, Dhirendra K.; Joshi, Raj K.; Jha, Badrinath; Mobin, Shaikh M.","Synthesis of Novel Allene-Coordinated, Phosphido-Bridged Ru2Pt Clusters Involving Enyne to Allene Transformation","Organometallics","2014","33","14","3857","","10.1021/om500561b","","","0.71073","MoKα","","0.0796","0.0627","","","0.1758","0.2005","","","","","","1.064","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083941","11.6865","0.0004","14.5617","0.0005","16.8171","0.0005","95.208","0.002","103.323","0.003","111.082","0.003","2550.46","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H43 Fe2 O5 P Ru2 -","- C63 H43 Fe2 O5 P Ru2 -","- C126 H86 Fe4 O10 P2 Ru4 -","2","1","","Mathur, Pradeep; Rai, Dhirendra K.; Joshi, Raj K.; Jha, Badrinath; Mobin, Shaikh M.","Synthesis of Novel Allene-Coordinated, Phosphido-Bridged Ru2Pt Clusters Involving Enyne to Allene Transformation","Organometallics","2014","33","14","3857","","10.1021/om500561b","","","0.71073","MoKα","","0.0658","0.0402","","","0.0805","0.0851","","","","","","0.914","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083969","14.88","0.002","14.88","0.002","34.579","0.007","90","","90","","90","","7656","2","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C87 H110 O Sn2 -","- C87 H110 O Sn2 -","- C348 H440 O4 Sn8 -","4","0.5","","Henning, Jens; Eichele, Klaus; Fink, Reinhold F.; Wesemann, Lars","Structural and Spectroscopic Characterization of Tin‒Tin Double Bonds in Cyclic Distannenes","Organometallics","2014","33","14","3904","","10.1021/om500645b","","","0.71073","MoKα","","0.0401","0.0345","","","0.0753","0.0772","","","","","","1.106","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083970","14.4863","0.0005","29.3901","0.001","11.3016","0.0004","90","","94.366","0.002","90","","4797.7","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C58 H56 Sn2 -","- C58 H56 Sn2 -","- C232 H224 Sn8 -","4","0.5","","Henning, Jens; Eichele, Klaus; Fink, Reinhold F.; Wesemann, Lars","Structural and Spectroscopic Characterization of Tin‒Tin Double Bonds in Cyclic Distannenes","Organometallics","2014","33","14","3904","","10.1021/om500645b","","","0.71073","MoKα","","0.0243","0.0217","","","0.0546","0.0574","","","","","","1.159","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083971","13.3504","0.0004","17.0668","0.0005","18.9247","0.0005","77.9082","0.0007","85.583","0.0007","76.5304","0.0008","4098.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H122 O Si2 Sn2 -","- C88 H122 O Si2 Sn2 -","- C176 H244 O2 Si4 Sn4 -","2","1","","Henning, Jens; Eichele, Klaus; Fink, Reinhold F.; Wesemann, Lars","Structural and Spectroscopic Characterization of Tin‒Tin Double Bonds in Cyclic Distannenes","Organometallics","2014","33","14","3904","","10.1021/om500645b","","","0.71073","MoKα","","0.0548","0.0335","","","0.069","0.0759","","","","","","1.009","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083972","11.6611","0.0015","13.5989","0.0017","19.788","0.003","100.08","0.006","103.261","0.005","92.713","0.005","2994.6","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H78 O4 Sn2 -","- C63 H64 O4 Sn2 -","- C126 H128 O8 Sn4 -","2","1","","Henning, Jens; Eichele, Klaus; Fink, Reinhold F.; Wesemann, Lars","Structural and Spectroscopic Characterization of Tin‒Tin Double Bonds in Cyclic Distannenes","Organometallics","2014","33","14","3904","","10.1021/om500645b","","","0.71073","MoKα","","0.019","0.0173","","","0.0465","0.0474","","","","","","1.055","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083973","22.6668","0.0007","13.2199","0.0004","27.3227","0.0008","90","","98.083","0.001","90","","8106","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C87 H114 O5 Sn2 -","- C87 H114 O5 Sn2 -","- C348 H456 O20 Sn8 -","4","0.5","","Henning, Jens; Eichele, Klaus; Fink, Reinhold F.; Wesemann, Lars","Structural and Spectroscopic Characterization of Tin‒Tin Double Bonds in Cyclic Distannenes","Organometallics","2014","33","14","3904","","10.1021/om500645b","","","0.71073","MoKα","","0.0368","0.0298","","","0.0764","0.0822","","","","","","1.029","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083974","17.205","0.002","16.711","0.002","26.749","0.003","90","","99.839","0.004","90","","7577.6","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","LjMesCl- K+(Cryptant)","","","- C81 H98 Cl K N2 O7 Sn2 -","- C81 H98 Cl K N2 O7 Sn2 -","- C324 H392 Cl4 K4 N8 O28 Sn8 -","4","1","","Henning, Jens; Eichele, Klaus; Fink, Reinhold F.; Wesemann, Lars","Structural and Spectroscopic Characterization of Tin‒Tin Double Bonds in Cyclic Distannenes","Organometallics","2014","33","14","3904","","10.1021/om500645b","","","0.71073","MoKα","","0.0507","0.0326","","","0.0612","0.0666","","","","","","1.004","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083975","22.855","0.002","16.1315","0.0015","21.0378","0.0019","90","","91.479","0.005","90","","7753.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H101 Cl K N2 O7 Sn2 -","- C84 H101 Cl K N2 O7 Sn2 -","- C336 H404 Cl4 K4 N8 O28 Sn8 -","4","1","","Henning, Jens; Eichele, Klaus; Fink, Reinhold F.; Wesemann, Lars","Structural and Spectroscopic Characterization of Tin‒Tin Double Bonds in Cyclic Distannenes","Organometallics","2014","33","14","3904","","10.1021/om500645b","","","0.71073","MoKα","","0.034","0.0246","","","0.0553","0.0631","","","","","","1.111","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083976","18.324","0.004","12.852","0.003","24.197","0.005","90","","95.75","0.03","90","","5670","2","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C67 H72 O Sn2 -","- C67 H72 O Sn2 -","- C268 H288 O4 Sn8 -","4","1","","Henning, Jens; Eichele, Klaus; Fink, Reinhold F.; Wesemann, Lars","Structural and Spectroscopic Characterization of Tin‒Tin Double Bonds in Cyclic Distannenes","Organometallics","2014","33","14","3904","","10.1021/om500645b","","","0.71073","MoKα","","0.0305","0.0275","","","0.053","0.0537","","","","","","1.058","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083977","13.0707","0.0002","12.7934","0.0002","13.4088","0.0002","90","","110.395","0.002","90","","2101.64","0.06","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl F6 N O2 P Ru S -","- C19 H17 Cl F6 N O2 P Ru S -","- C76 H68 Cl4 F24 N4 O8 P4 Ru4 S4 -","4","1","","Prakash, Om; Joshi, Hemant; Sharma, Kamal Nayan; Gupta, Pancham Lal; Singh, Ajai K.","Transfer Hydrogenation (pH Independent) of Ketones and Aldehydes in Water with Glycerol: Ru, Rh, and Ir Catalysts with a COOH Group near the Metal on a (Phenylthio)methyl-2-pyridine Scaffold","Organometallics","2014","33","14","3804","","10.1021/om500515z","","","0.71073","MoKα","","0.0257","0.0251","","","0.0632","0.0636","","","","","","1.066","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083978","8.2851","0.0014","16.684","0.003","18.643","0.003","90","","92.503","0.003","90","","2574.5","0.8","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl F6 N O2 P Rh S -","- C23 H26 Cl F6 N O2 P Rh S -","- C92 H104 Cl4 F24 N4 O8 P4 Rh4 S4 -","4","1","","Prakash, Om; Joshi, Hemant; Sharma, Kamal Nayan; Gupta, Pancham Lal; Singh, Ajai K.","Transfer Hydrogenation (pH Independent) of Ketones and Aldehydes in Water with Glycerol: Ru, Rh, and Ir Catalysts with a COOH Group near the Metal on a (Phenylthio)methyl-2-pyridine Scaffold","Organometallics","2014","33","14","3804","","10.1021/om500515z","","","0.71073","MoKα","","0.0455","0.0369","","","0.0946","0.0996","","","","","","1.052","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083979","14.512","0.003","13.441","0.003","14.886","0.003","90","","90.759","0.004","90","","2903.3","1.1","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl F6 Ir N O3 P S -","- C24 H30 Cl F6 Ir N O3 P S -","- C96 H120 Cl4 F24 Ir4 N4 O12 P4 S4 -","4","1","","Prakash, Om; Joshi, Hemant; Sharma, Kamal Nayan; Gupta, Pancham Lal; Singh, Ajai K.","Transfer Hydrogenation (pH Independent) of Ketones and Aldehydes in Water with Glycerol: Ru, Rh, and Ir Catalysts with a COOH Group near the Metal on a (Phenylthio)methyl-2-pyridine Scaffold","Organometallics","2014","33","14","3804","","10.1021/om500515z","","","0.71073","MoKα","","0.0455","0.0339","","","0.0849","0.0904","","","","","","1.018","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083981","7.676","0.0015","30.854","0.006","13.989","0.003","90","","98.87","0.03","90","","3273.5","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 B N O3 P2 Ru -","- C30 H54 B N O3 P2 Ru -","- C120 H216 B4 N4 O12 P8 Ru4 -","4","1","","Anaby, Aviel; Butschke, Burkhard; Ben-David, Yehoshoa; Shimon, Linda J. W.; Leitus, Gregory; Feller, Moran; Milstein, David","B‒H Bond Cleavage via Metal‒Ligand Cooperation by Dearomatized Ruthenium Pincer Complexes","Organometallics","2014","33","14","3716","","10.1021/om500311a","","","0.71073","MoKα","","0.0649","0.0499","","","0.1181","0.1273","","","","","","1.064","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083982","8.2384","0.0002","17.5293","0.0003","21.3522","0.0004","90","","92.9126","0.0009","90","","3079.56","0.11","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 B N O3 P2 Ru -","- C30 H46 B N O3 P2 Ru -","- C120 H184 B4 N4 O12 P8 Ru4 -","4","1","","Anaby, Aviel; Butschke, Burkhard; Ben-David, Yehoshoa; Shimon, Linda J. W.; Leitus, Gregory; Feller, Moran; Milstein, David","B‒H Bond Cleavage via Metal‒Ligand Cooperation by Dearomatized Ruthenium Pincer Complexes","Organometallics","2014","33","14","3716","","10.1021/om500311a","","","0.71073","MoKα","","0.0548","0.0469","","","0.0947","0.0975","","","","","","1.244","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083993","11.4224","0.0002","13.2168","0.0002","27.251","0.0003","90","","99.3827","0.0008","90","","4058.98","0.1","150","","150","","","","","","","","SYN","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H58 Cl4 Li2 N4 U -","- C33 H58 Cl4 Li2 N4 U -","- C132 H232 Cl16 Li8 N16 U4 -","4","1","","Chadwick, F. Mark; O’Hare, Dermot M.","Half- and Mixed-Sandwich Uranium Permethylpentalene Compounds","Organometallics","2014","33","14","3768","","10.1021/om500474h","","","0.71073","MoKα","","0.0574","0.0391","","0.087","0.0758","0.087","","","","","","0.9213","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083994","10.6213","0.0001","43.493","0.0005","21.143","0.0003","90","","104.191","0.0005","90","","9469","0.2","150","","150","","","","101","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H49 Cl2 Li N2 U -","- C30 H49 Cl2 Li N2 U -","- C360 H588 Cl24 Li12 N24 U12 -","12","3","","Chadwick, F. Mark; O’Hare, Dermot M.","Half- and Mixed-Sandwich Uranium Permethylpentalene Compounds","Organometallics","2014","33","14","3768","","10.1021/om500474h","","","0.71073","MoKα","","0.1032","0.0589","","0.1236","0.096","0.1233","","","","","","0.9581","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083995","11.3551","0.0006","12.7577","0.0016","15.231","0.002","99.776","0.012","92.279","0.007","107.352","0.009","2065.8","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H49 F3 N3 O10 P Ru S -","- C39 H49 F3 N3 O10 P Ru S -","- C78 H98 F6 N6 O20 P2 Ru2 S2 -","2","1","","Pettinari, Riccardo; Marchetti, Fabio; Condello, Francesca; Pettinari, Claudio; Lupidi, Giulio; Scopelliti, Rosario; Mukhopadhyay, Suman; Riedel, Tina; Dyson, Paul J.","Ruthenium(II)‒Arene RAPTA Type Complexes Containing Curcumin and Bisdemethoxycurcumin Display Potent and Selective Anticancer Activity","Organometallics","2014","33","14","3709","","10.1021/om500317b","","","0.71073","MoKα","","0.0665","0.0435","","","0.0863","0.0974","","","","","","1.11","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083996","10.2462","0.0004","13.5362","0.0006","15.4565","0.0006","102.087","0.004","93.187","0.003","103.6","0.004","2025","0.15","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H49 F3 N3 O9 P Ru S -","- C40 H49 F3 N3 O9 P Ru S -","- C80 H98 F6 N6 O18 P2 Ru2 S2 -","2","1","","Pettinari, Riccardo; Marchetti, Fabio; Condello, Francesca; Pettinari, Claudio; Lupidi, Giulio; Scopelliti, Rosario; Mukhopadhyay, Suman; Riedel, Tina; Dyson, Paul J.","Ruthenium(II)‒Arene RAPTA Type Complexes Containing Curcumin and Bisdemethoxycurcumin Display Potent and Selective Anticancer Activity","Organometallics","2014","33","14","3709","","10.1021/om500317b","","","1.54178","CuKα","","0.0453","0.0407","","","0.1036","0.1078","","","","","","1.023","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083997","10.608","0.003","13.196","0.002","14.573","0.004","97.618","0.016","94.12","0.02","106.021","0.018","1930.8","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H45 F3 N3 O7 P Ru S -","- C38 H45 F3 N3 O7 P Ru S -","- C76 H90 F6 N6 O14 P2 Ru2 S2 -","2","1","","Pettinari, Riccardo; Marchetti, Fabio; Condello, Francesca; Pettinari, Claudio; Lupidi, Giulio; Scopelliti, Rosario; Mukhopadhyay, Suman; Riedel, Tina; Dyson, Paul J.","Ruthenium(II)‒Arene RAPTA Type Complexes Containing Curcumin and Bisdemethoxycurcumin Display Potent and Selective Anticancer Activity","Organometallics","2014","33","14","3709","","10.1021/om500317b","","","0.71073","MoKα","","0.1462","0.1073","","","0.2655","0.312","","","","","","1.085","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4083998","7.9433","0.0002","13.2043","0.0004","15.086","0.0003","109.586","0.002","102.004","0.002","101.065","0.002","1398.15","0.07","115","0.1","115","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30 Cl2 Cr F3 N2 O2 -","- C30 H30 Cl2 Cr F3 N2 O2 -","- C60 H60 Cl4 Cr2 F6 N4 O4 -","2","1","","Ronellenfitsch, Mathias; Wadepohl, Hubert; Enders, Markus","Chromium Aryl Complexes with N-Donor Ligands as Catalyst Precursors for Selective Ethylene Trimerization","Organometallics","2014","33","20","5758","","10.1021/om500459k","","x-ray","1.5418","CuKα","","0.0389","0.0356","","","0.0909","0.0933","","","","","","1.038","","","","has coordinates","178728","2020-10-21","18:00:00",""
"4083999","7.27844","0.00015","13.415","0.0002","13.7057","0.0003","79.9599","0.0014","86.4523","0.0016","76.9127","0.0016","1283.16","0.04","115.01","0.1","115.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Cl2 Cr F3 N2 O1.5 -","- C26 H22 Cl2 Cr F3 N2 O -","- C52 H44 Cl4 Cr2 F6 N4 O2 -","2","1","","Ronellenfitsch, Mathias; Wadepohl, Hubert; Enders, Markus","Chromium Aryl Complexes with N-Donor Ligands as Catalyst Precursors for Selective Ethylene Trimerization","Organometallics","2014","33","20","5758","","10.1021/om500459k","","x-ray","1.5418","CuKα","","0.039","0.0364","","","0.0952","0.0976","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084000","24.855","0.01","8.321","0.003","22.327","0.009","90","","105.224","0.011","90","","4456","3","100","2","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 Cl2 Cr N2 O -","- C24 H27 Cl2 Cr N2 O -","- C192 H216 Cl16 Cr8 N16 O8 -","8","1","","Ronellenfitsch, Mathias; Wadepohl, Hubert; Enders, Markus","Chromium Aryl Complexes with N-Donor Ligands as Catalyst Precursors for Selective Ethylene Trimerization","Organometallics","2014","33","20","5758","","10.1021/om500459k","","x-ray","0.71073","MoKα","","0.0423","0.0315","","","0.0758","0.0813","","","","","","1.059","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084001","7.98731","0.00005","17.57878","0.0001","19.90726","0.00018","90","","92.9703","0.0006","90","","2791.37","0.03","110","1","110","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl2 Cr F3 N2 O2 -","- C29 H34 Cl2 Cr F3 N2 O2 -","- C116 H136 Cl8 Cr4 F12 N8 O8 -","4","1","","Ronellenfitsch, Mathias; Wadepohl, Hubert; Enders, Markus","Chromium Aryl Complexes with N-Donor Ligands as Catalyst Precursors for Selective Ethylene Trimerization","Organometallics","2014","33","20","5758","","10.1021/om500459k","","x-ray","1.5418","CuKα","","0.0329","0.0321","","","0.0797","0.0802","","","","","","1.03","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084002","8.3916","0.0003","11.1195","0.0003","12.5963","0.0004","77.991","0.003","75.246","0.003","75.627","0.003","1087.79","0.06","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Cl2 Cr N2 O -","- C24 H27 Cl2 Cr N2 O -","- C48 H54 Cl4 Cr2 N4 O2 -","2","1","","Ronellenfitsch, Mathias; Wadepohl, Hubert; Enders, Markus","Chromium Aryl Complexes with N-Donor Ligands as Catalyst Precursors for Selective Ethylene Trimerization","Organometallics","2014","33","20","5758","","10.1021/om500459k","","x-ray","0.7107","MoKα","","0.0508","0.0383","","","0.0863","0.0926","","","","","","1.044","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084003","25.392","0.014","14.42","0.009","15.624","0.01","90","","106.459","0.011","90","","5486","6","100","2","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H39 Cl2 Cr N2 O2 -","- C29 H39 Cl2 Cr N2 O2 -","- C232 H312 Cl16 Cr8 N16 O16 -","8","1","","Ronellenfitsch, Mathias; Wadepohl, Hubert; Enders, Markus","Chromium Aryl Complexes with N-Donor Ligands as Catalyst Precursors for Selective Ethylene Trimerization","Organometallics","2014","33","20","5758","","10.1021/om500459k","","x-ray","0.71073","MoKα","","0.0908","0.0518","","","0.1236","0.1459","","","","","","1.023","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084004","8.94124","0.00016","13.0454","0.0002","19.7127","0.0003","94.5819","0.0013","96.4707","0.0014","107.78","0.0017","2159.62","0.07","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H31 Cl2 Cr N2 O1.5 -","- C21 H31 Cl2 Cr N2 O1.5 -","- C84 H124 Cl8 Cr4 N8 O6 -","4","2","","Ronellenfitsch, Mathias; Wadepohl, Hubert; Enders, Markus","Chromium Aryl Complexes with N-Donor Ligands as Catalyst Precursors for Selective Ethylene Trimerization","Organometallics","2014","33","20","5758","","10.1021/om500459k","","x-ray","0.7107","MoKα","","0.0899","0.0611","","","0.1298","0.144","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084005","7.553","0.004","9.006","0.005","15.393","0.01","92.44","0.011","103.042","0.01","110.487","0.016","947","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cl3 Cr N2 O -","- C18 H24 Cl3 Cr N2 O -","- C36 H48 Cl6 Cr2 N4 O2 -","2","1","","Ronellenfitsch, Mathias; Wadepohl, Hubert; Enders, Markus","Chromium Aryl Complexes with N-Donor Ligands as Catalyst Precursors for Selective Ethylene Trimerization","Organometallics","2014","33","20","5758","","10.1021/om500459k","","x-ray","0.71073","MoKα","","0.1009","0.0482","","","0.0979","0.1156","","","","","","1.009","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084006","17.3318","0.0008","14.6278","0.0006","28.754","0.0015","90","","105.182","0.005","90","","7035.5","0.6","110","1","110","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C42 H45 Cr N2 -","- C35 H37 Cr N2 -","- C280 H296 Cr8 N16 -","8","1","","Ronellenfitsch, Mathias; Wadepohl, Hubert; Enders, Markus","Chromium Aryl Complexes with N-Donor Ligands as Catalyst Precursors for Selective Ethylene Trimerization","Organometallics","2014","33","20","5758","","10.1021/om500459k","","x-ray","0.71073","MoKα","","0.1196","0.071","","","0.1866","0.2127","","","","","","1.046","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084007","8.5335","0.0005","9.4426","0.0005","10.4007","0.0006","71.004","0.003","70.609","0.004","65.188","0.003","700.39","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","miu~2~diethyl-1,2-diazenato(2-)-kappaN,kappaN'-dicarboxylate-kappaO,kappaO'-dichlorido- bis(eta^6^-p-cymene)-di-ruthenium(II)","","- C26 H38 Cl2 N2 O4 Ru2 -","- C26 H38 Cl2 N2 O4 Ru2 -","- C26 H38 Cl2 N2 O4 Ru2 -","1","0.5","","Garci, Amine; Dobrov, Anatoly A.; Riedel, Tina; Orhan, Ersin; Dyson, Paul J.; Arion, Vladimir B.; Therrien, Bruno","Strategy to Optimize the Biological Activity of Arene Ruthenium Metalla-Assemblies","Organometallics","2014","33","14","3813","","10.1021/om5005176","","","0.71073","MoKα","","0.0434","0.0341","","","0.0846","0.0891","","","","","","1.092","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084008","9","0.0005","9.1532","0.0005","9.3851","0.0006","96.056","0.003","93.256","0.002","95.327","0.002","763.76","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","miu~2~N,N'-bis[2-(2-hydroxyethoxy)ethyl]ethanediamidato(2-)-kappaN,kappaN'-kappaO,kappaO'-dichlorido- bis(eta^6^-p-cymene)-di-ruthenium(II)","","- C30 H46 Cl2 N2 O6 Ru2 -","- C30 H46 Cl2 N2 O6 Ru2 -","- C30 H46 Cl2 N2 O6 Ru2 -","1","0.5","","Garci, Amine; Dobrov, Anatoly A.; Riedel, Tina; Orhan, Ersin; Dyson, Paul J.; Arion, Vladimir B.; Therrien, Bruno","Strategy to Optimize the Biological Activity of Arene Ruthenium Metalla-Assemblies","Organometallics","2014","33","14","3813","","10.1021/om5005176","","","0.71073","MoKα","","0.0236","0.0224","","","0.0613","0.0622","","","","","","1.032","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084009","17.2925","0.0003","18.7276","0.0003","22.4687","0.0003","90","","90","","90","","7276.4","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H26 Cl O13 Os3 Sb -","- C31 H26 Cl O13 Os3 Sb -","- C248 H208 Cl8 O104 Os24 Sb8 -","8","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Binuclear Oxidative Addition of Sb‒Cl Bonds: A Facile Synthetic Route to Main Group‒Transition Element Clusters and Rings","Organometallics","2014","33","14","3867","","10.1021/om500565d","","","0.71073","MoKα","","0.0254","0.0211","","","0.0433","0.0446","","","","","","1.111","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084010","11.8878","0.0005","12.2047","0.0005","20.0827","0.0009","90","","101.96","0.001","90","","2850.5","0.2","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H10 Cl O11 Os3 Sb -","- C23 H10 Cl O11 Os3 Sb -","- C92 H40 Cl4 O44 Os12 Sb4 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Binuclear Oxidative Addition of Sb‒Cl Bonds: A Facile Synthetic Route to Main Group‒Transition Element Clusters and Rings","Organometallics","2014","33","14","3867","","10.1021/om500565d","","","0.71073","MoKα","","0.033","0.026","","","0.0732","0.0993","","","","","","1.293","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084011","10.0329","0.0003","16.4034","0.0003","16.9501","0.0003","90","","98.453","0.002","90","","2759.24","0.11","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H10 Br O11 Os3 Sb -","- C23 H10 Br O11 Os3 Sb -","- C92 H40 Br4 O44 Os12 Sb4 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Binuclear Oxidative Addition of Sb‒Cl Bonds: A Facile Synthetic Route to Main Group‒Transition Element Clusters and Rings","Organometallics","2014","33","14","3867","","10.1021/om500565d","","","0.71073","MoKα","","0.0387","0.0315","","","0.065","0.069","","","","","","0.925","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084012","9.1927","0.0008","12.0103","0.0008","12.4195","0.0009","82.944","0.003","84.716","0.002","84.485","0.002","1350.04","0.18","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H10 Cl O10 Os3 Sb -","- C22 H10 Cl O10 Os3 Sb -","- C44 H20 Cl2 O20 Os6 Sb2 -","2","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Binuclear Oxidative Addition of Sb‒Cl Bonds: A Facile Synthetic Route to Main Group‒Transition Element Clusters and Rings","Organometallics","2014","33","14","3867","","10.1021/om500565d","","","0.71073","MoKα","","0.0275","0.0235","","","0.0646","0.0839","","","","","","1.294","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084013","12.3327","0.001","19.3021","0.0012","17.1042","0.0013","90","","101.982","0.002","90","","3982.9","0.5","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34.5 H21 Cl3 O10 Os3 Sb2 -","- C34.5 H21 Cl3 O10 Os3 Sb2 -","- C138 H84 Cl12 O40 Os12 Sb8 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Binuclear Oxidative Addition of Sb‒Cl Bonds: A Facile Synthetic Route to Main Group‒Transition Element Clusters and Rings","Organometallics","2014","33","14","3867","","10.1021/om500565d","","","0.71073","MoKα","","0.0601","0.0482","","","0.1326","0.1455","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084014","11.5635","0.0003","17.3651","0.0005","19.0172","0.0006","90","","105.473","0.001","90","","3680.28","0.18","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 Cl2 O10 Os3 Sb2 -","- C34 H20 Cl2 O10 Os3 Sb2 -","- C136 H80 Cl8 O40 Os12 Sb8 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Binuclear Oxidative Addition of Sb‒Cl Bonds: A Facile Synthetic Route to Main Group‒Transition Element Clusters and Rings","Organometallics","2014","33","14","3867","","10.1021/om500565d","","","0.71073","MoKα","","0.0331","0.0252","","","0.0691","0.0941","","","","","","1.27","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084015","11.2768","0.0011","14.2236","0.0017","14.403","0.002","69.067","0.008","87.974","0.008","78.375","0.007","2111.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 Cl2 O10 Os3 Sb2 -","- C38 H28 Cl2 O10 Os3 Sb2 -","- C76 H56 Cl4 O20 Os6 Sb4 -","2","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Binuclear Oxidative Addition of Sb‒Cl Bonds: A Facile Synthetic Route to Main Group‒Transition Element Clusters and Rings","Organometallics","2014","33","14","3867","","10.1021/om500565d","","","0.71073","MoKα","","0.0688","0.044","","","0.1033","0.1347","","","","","","1.043","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084016","11.5786","0.0005","14.0291","0.0006","14.9583","0.0006","102.033","0.002","101.686","0.002","106.124","0.002","2193.46","0.17","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C34.9 H21.8 Cl3.8 O10 Os3 Sb2 -","- C34.9 H21.8 Cl3.8 O10 Os3 Sb2 -","- C69.8 H43.6 Cl7.6 O20 Os6 Sb4 -","2","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Binuclear Oxidative Addition of Sb‒Cl Bonds: A Facile Synthetic Route to Main Group‒Transition Element Clusters and Rings","Organometallics","2014","33","14","3867","","10.1021/om500565d","","","0.71073","MoKα","","0.0686","0.0535","","","0.1274","0.1365","","","","","","1.131","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084017","12.7426","0.0004","14.632","0.0004","15.3921","0.0005","101.734","0.0017","105.35","0.0017","108.723","0.0017","2486.98","0.14","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.7 H29.4 Cl3.4 O10 Os3 Sb2 -","- C38.7 H29.4 Cl3.4 O10 Os3 Sb2 -","- C77.4 H58.8 Cl6.8 O20 Os6 Sb4 -","2","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Binuclear Oxidative Addition of Sb‒Cl Bonds: A Facile Synthetic Route to Main Group‒Transition Element Clusters and Rings","Organometallics","2014","33","14","3867","","10.1021/om500565d","","","0.71073","MoKα","","0.0535","0.0418","","","0.0975","0.1078","","","","","","1.187","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084018","9.31","0.0008","17.0733","0.0017","15.5431","0.0017","90","","94.216","0.004","90","","2463.9","0.4","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H5 Cl2 O11 Os3 Sb -","- C17 H5 Cl2 O11 Os3 Sb -","- C68 H20 Cl8 O44 Os12 Sb4 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Binuclear Oxidative Addition of Sb‒Cl Bonds: A Facile Synthetic Route to Main Group‒Transition Element Clusters and Rings","Organometallics","2014","33","14","3867","","10.1021/om500565d","","","0.71073","MoKα","","0.0499","0.0362","","","0.096","0.1129","","","","","","1.159","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084019","38.203","0.006","11.441","0.002","11.4284","0.0016","90","","90","","90","","4995.1","1.4","103","2","103","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H5 Cl2 O11 Os3 Sb -","- C17 H5 Cl2 O11 Os3 Sb -","- C136 H40 Cl16 O88 Os24 Sb8 -","8","2","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Binuclear Oxidative Addition of Sb‒Cl Bonds: A Facile Synthetic Route to Main Group‒Transition Element Clusters and Rings","Organometallics","2014","33","14","3867","","10.1021/om500565d","","","0.71073","MoKα","","0.0361","0.0306","","","0.0711","0.0896","","","","","","1.124","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084020","13.9903","0.0004","14.4085","0.0003","15.5348","0.0004","112.537","0.002","95.501","0.002","96.7468","0.0019","2838.23","0.13","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H10 Cl O11 Os3 Sb -","- C23 H10 Cl O11 Os3 Sb -","- C92 H40 Cl4 O44 Os12 Sb4 -","4","2","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Binuclear Oxidative Addition of Sb‒Cl Bonds: A Facile Synthetic Route to Main Group‒Transition Element Clusters and Rings","Organometallics","2014","33","14","3867","","10.1021/om500565d","","","0.71073","MoKα","","0.0335","0.0254","","","0.0444","0.0475","","","","","","1.014","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084021","10.263","0.005","11.88","0.005","11.318","0.005","90","","90.446","0.005","90","","1379.9","1.1","100","2","100","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H43 I N4 Pt -","- C23 H43 I N4 Pt -","- C46 H86 I2 N8 Pt2 -","2","0.5","","Roselló-Merino, Marta; Rivada-Wheelaghan, Orestes; Ortuño, Manuel A.; Vidossich, Pietro; D\?íez, Josefina; Lledós, Agust\?í; Conejero, Salvador","Coordinatively Unsaturated T-Shaped Platinum(II) Complexes Stabilized by Small N-Heterocyclic Carbene Ligands. Synthesis and Cyclometalation","Organometallics","2014","33","14","3746","","10.1021/om500416n","","","0.71073","MoKα","","0.0513","0.0496","","","0.126","0.1266","","","","","","1.45","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4084022","17.4846","0.0004","22.945","0.0004","22.7868","0.0004","90","","105.562","0.002","90","","8806.6","0.3","150","2","150","2","","","","","","","synthesis","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H98 B F24 I N8 Pt2 -","- C78 H98 B F24 I N8 Pt2 -","- C312 H392 B4 F96 I4 N32 Pt8 -","4","1","","Roselló-Merino, Marta; Rivada-Wheelaghan, Orestes; Ortuño, Manuel A.; Vidossich, Pietro; D\?íez, Josefina; Lledós, Agust\?í; Conejero, Salvador","Coordinatively Unsaturated T-Shaped Platinum(II) Complexes Stabilized by Small N-Heterocyclic Carbene Ligands. Synthesis and Cyclometalation","Organometallics","2014","33","14","3746","","10.1021/om500416n","","","1.5418","CuKα","","0.0533","0.044","","","0.1111","0.1192","","","","","","1.035","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084023","17.5767","0.0016","12.0983","0.0012","8.1859","0.0006","90","","109.339","0.005","90","","1642.5","0.3","173","2","173","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","dpg16/jcm17","","","- C15 H14 Au Cl2 N S2 -","- C15 H14 Au Cl2 N S2 -","- C60 H56 Au4 Cl8 N4 S8 -","4","0.5","","Cordón, Jesús; Jiménez-Osés, Gonzalo; López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena; Pascual, David","Experimental and Theoretical Study of Gold(III)-Catalyzed Hydration of Alkynes","Organometallics","2014","33","14","3823","","10.1021/om500523r","","x-ray","0.71073","MoKα","","0.0413","0.0312","","","0.0631","0.0666","","","","","","1.055","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084024","12.0283","0.0011","12.8701","0.0012","16.2643","0.0015","102.435","0.002","111.31","0.001","99.491","0.001","2207.3","0.4","140","2","140","2","","","","","","","","10","P -1","-P 1","2","","","","- C39 H50 Cl2 F6 N2 O2 P Pd S Sb -","- C39 H50 Cl2 F6 N2 O2 P Pd S Sb -","- C78 H100 Cl4 F12 N4 O4 P2 Pd2 S2 Sb2 -","2","1","","Zhang, Yanlu; Cao, Yanchun; Leng, Xuebing; Chen, Changle; Huang, Zheng","Cationic Palladium(II) Complexes of Phosphine‒Sulfonamide Ligands: Synthesis, Characterization, and Catalytic Ethylene Oligomerization","Organometallics","2014","33","14","3738","","10.1021/om5004094","","","0.71073","MoKα","","0.0497","0.0401","","","0.119","0.1397","","","","","","1.071","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084025","7.4857","0.0001","12.4792","0.0002","16.6603","0.0003","90","","90","","90","","1556.33","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl3 Ti -","- C14 H19 Cl3 Ti -","- C56 H76 Cl12 Ti4 -","4","1","","Turner, Zoë R.; Buffet, Jean-Charles; O’Hare, Dermot","Chiral Group 4 Cyclopentadienyl Complexes and Their Use in Polymerization of Lactide Monomers","Organometallics","2014","33","14","3891","","10.1021/om500634a","","","0.71073","MoKα","","0.0323","0.029","","","0.0685","0.0703","","","","","","1.112","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084026","8.7978","0.0001","17.6135","0.0003","11.061","0.0002","90","","112.303","0.001","90","","1585.79","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 Cl6 Zr2 -","- C28 H38 Cl6 Zr2 -","- C56 H76 Cl12 Zr4 -","2","1","","Turner, Zoë R.; Buffet, Jean-Charles; O’Hare, Dermot","Chiral Group 4 Cyclopentadienyl Complexes and Their Use in Polymerization of Lactide Monomers","Organometallics","2014","33","14","3891","","10.1021/om500634a","","","0.71073","MoKα","","0.0436","0.036","","","0.076","0.0804","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084027","8.7904","0.0002","17.573","0.0004","11.0616","0.0003","90","","112.495","0.001","90","","1578.71","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 Cl6 Hf2 -","- C28 H38 Cl6 Hf2 -","- C56 H76 Cl12 Hf4 -","2","1","","Turner, Zoë R.; Buffet, Jean-Charles; O’Hare, Dermot","Chiral Group 4 Cyclopentadienyl Complexes and Their Use in Polymerization of Lactide Monomers","Organometallics","2014","33","14","3891","","10.1021/om500634a","","","0.71073","MoKα","","0.0792","0.0514","","","0.1051","0.1184","","","","","","1.055","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084028","11.5191","0.0008","17.7924","0.0011","14.4355","0.001","90","","106.654","0.004","90","","2834.5","0.3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 Cl3 Cr N2 O1.5 P -","- C25 H31 Cl3 Cr N2 O1.5 P -","- C100 H124 Cl12 Cr4 N8 O6 P4 -","4","1","","Yang, Yun; Gurnham, Joanna; Liu, Boping; Duchateau, Robbert; Gambarotta, Sandro; Korobkov, Ilia","Selective Ethylene Oligomerization with Chromium Complexes Bearing Pyridine‒Phosphine Ligands: Influence of Ligand Structure on Catalytic Behavior","Organometallics","2014","33","20","5749","","10.1021/om5003683","","","0.71073","MoKα","","0.102","0.0653","","","0.159","0.1803","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084029","8.7264","0.0003","11.1945","0.0004","31.2243","0.0013","90","","90","","90","","3050.2","0.2","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Cl3 Cr N2 O2 P -","- C28 H37 Cl3 Cr N2 O2 P -","- C112 H148 Cl12 Cr4 N8 O8 P4 -","4","1","","Yang, Yun; Gurnham, Joanna; Liu, Boping; Duchateau, Robbert; Gambarotta, Sandro; Korobkov, Ilia","Selective Ethylene Oligomerization with Chromium Complexes Bearing Pyridine‒Phosphine Ligands: Influence of Ligand Structure on Catalytic Behavior","Organometallics","2014","33","20","5749","","10.1021/om5003683","","","0.71073","MoKα","","0.0523","0.0415","","","0.0927","0.0972","","","","","","1.023","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084030","10.3222","0.0002","14.4954","0.0003","17.0039","0.0004","90","","90","","90","","2544.2","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H41 K O6 -","- C24 H41 K O6 -","- C96 H164 K4 O24 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2014","33","14","3792","","10.1021/om500513m","","","0.71073","MoKα","","0.0382","0.0349","","","0.0732","0.0746","","","","","","1.098","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084031","6.5559","0.0002","18.9486","0.0005","15.7614","0.0004","90","","90.924","0.003","90","","1957.71","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 Zr -","- C25 H28 Zr -","- C100 H112 Zr4 -","4","2","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2014","33","14","3792","","10.1021/om500513m","","","1.54184","CuKα","","0.0256","0.0247","","","0.0588","0.0594","","","","","","1.024","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084032","10.4927","0.0003","10.9438","0.0003","13.6917","0.0004","90","","90","","90","","1572.22","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Zr -","- C19 H24 Zr -","- C76 H96 Zr4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2014","33","14","3792","","10.1021/om500513m","","","0.71073","MoKα","","0.0288","0.0233","","","0.0449","0.0467","","","","","","1.067","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084033","8.3511","0.0003","13.0443","0.0004","19.7724","0.0006","90","","90","","90","","2153.89","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 P Zr -","- C23 H35 P Zr -","- C92 H140 P4 Zr4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2014","33","14","3792","","10.1021/om500513m","","","1.54184","CuKα","","0.0268","0.0257","","","0.0634","0.0641","","","","","","1.021","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084034","8.1113","0.0003","15.7346","0.0005","18.991","0.0007","90","","90","","90","","2423.78","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 P Zr -","- C28 H37 P Zr -","- C112 H148 P4 Zr4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2014","33","14","3792","","10.1021/om500513m","","","0.71073","MoKα","","0.0491","0.0356","","","0.062","0.0666","","","","","","1.031","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084035","8.12222","0.0001","8.12652","0.0001","15.8261","0.0002","90.5804","0.0011","92.7095","0.0011","105.581","0.0011","1004.81","0.02","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H33 P Zr -","- C22 H33 P Zr -","- C44 H66 P2 Zr2 -","2","2","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2014","33","14","3792","","10.1021/om500513m","","","1.54184","CuKα","","0.0298","0.0295","","","0.0809","0.0811","","","","","","1.088","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084036","9.1213","0.0002","13.8169","0.0003","17.936","0.0004","90","","90","","90","","2260.44","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N Zr -","- C25 H35 N Zr -","- C100 H140 N4 Zr4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2014","33","14","3792","","10.1021/om500513m","","","0.71073","MoKα","","0.0307","0.0249","","","0.0478","0.0497","","","","","","1.064","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084037","10.682","0.003","18.283","0.005","9.48","0.003","90","","91.825","0.006","90","","1850.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Br2 N4 Ni S2 -","- C38 H44 Br2 N4 Ni S2 -","- C76 H88 Br4 N8 Ni2 S4 -","2","0.5","","Bernhammer, Jan C.; Huynh, Han Vinh","Nickel(II) Benzimidazolin-2-ylidene Complexes with Thioether-Functionalized Side Chains as Catalysts for Suzuki‒Miyaura Cross-Coupling","Organometallics","2014","33","20","5845","","10.1021/om500484q","","","0.71073","MoKα","","0.1079","0.0724","","","0.2133","0.239","","","","","","1.106","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084056","13.687","0.002","17.372","0.003","21.6","0.003","93.557","0.002","100.165","0.002","105.928","0.002","4827.9","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H54.5 B F0.5 N6 O Os P -","- C51 H54.5 B F0.5 N6 O Os P -","- C204 H218 B4 F2 N24 O4 Os4 P4 -","4","2","","Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Osmium-Acyl Decarbonylation Promoted by Tp-Mediated Allenylidene Abstraction: A New Role of the Tp Ligand","Organometallics","2014","33","15","4057","","10.1021/om500569m","","","0.71073","MoKα","","0.0384","0.0315","","","0.084","0.0877","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084057","16.2629","0.0007","14.3958","0.0006","19.3703","0.0008","90","","105.462","0.001","90","","4370.8","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 B N6 O Os P -","- C48 H52 B N6 O Os P -","- C192 H208 B4 N24 O4 Os4 P4 -","4","1","","Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Osmium-Acyl Decarbonylation Promoted by Tp-Mediated Allenylidene Abstraction: A New Role of the Tp Ligand","Organometallics","2014","33","15","4057","","10.1021/om500569m","","","0.71073","MoKα","","0.0334","0.0249","","","0.0546","0.0576","","","","","","1.021","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084058","8.833","0.0012","11.6852","0.0016","20.45","0.003","93.345","0.002","91.762","0.002","95.864","0.002","2094.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H52 B N6 O Os P -","- C48 H52 B N6 O Os P -","- C96 H104 B2 N12 O2 Os2 P2 -","2","1","","Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Osmium-Acyl Decarbonylation Promoted by Tp-Mediated Allenylidene Abstraction: A New Role of the Tp Ligand","Organometallics","2014","33","15","4057","","10.1021/om500569m","","","0.71073","MoKα","","0.0824","0.057","","","0.1031","0.1092","","","","","","1.128","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084059","13.111","0.003","13.732","0.003","34.337","0.007","90","","95.794","0.003","90","","6150","2","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H51 B F24 Ir P -","- C65 H51 B F24 Ir P -","- C260 H204 B4 F96 Ir4 P4 -","4","1","","Ikeda, Yousuke; Takano, Koichi; Kodama, Shintaro; Ishii, Youichi","1,4- and 1,3-Metal Migration in a Cp*IrIIIComplex: Experimental Evidence of Direct 1,3-Metal Migration","Organometallics","2014","33","15","3998","","10.1021/om5005258","","","0.71075","MoKα","","","0.0583","","","","0.1405","","","","","","1.069","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084060","12.4569","0.0017","18.626","0.003","24.265","0.004","90","","97.6693","0.0016","90","","5579.7","1.5","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H47 B F24 Ir P -","- C55 H47 B F24 Ir P -","- C220 H188 B4 F96 Ir4 P4 -","4","1","","Ikeda, Yousuke; Takano, Koichi; Kodama, Shintaro; Ishii, Youichi","1,4- and 1,3-Metal Migration in a Cp*IrIIIComplex: Experimental Evidence of Direct 1,3-Metal Migration","Organometallics","2014","33","15","3998","","10.1021/om5005258","","","0.71075","MoKα","","","0.0683","","","","0.1833","","","","","","1.071","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084061","12.4513","0.0016","14.0924","0.0018","16.869","0.002","84.555","0.004","79.232","0.003","88.647","0.004","2894.7","0.6","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H49 B F24 Ir P -","- C60 H49 B F24 Ir P -","- C120 H98 B2 F48 Ir2 P2 -","2","1","","Ikeda, Yousuke; Takano, Koichi; Kodama, Shintaro; Ishii, Youichi","1,4- and 1,3-Metal Migration in a Cp*IrIIIComplex: Experimental Evidence of Direct 1,3-Metal Migration","Organometallics","2014","33","15","3998","","10.1021/om5005258","","","0.71075","MoKα","","","0.0475","","","","0.1063","","","","","","1.047","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084062","12.452","0.003","12.837","0.003","20.047","0.004","74.855","0.005","75.582","0.005","84.532","0.007","2994.2","1.2","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H49 B F24 Ir P -","- C60 H49 B F24 Ir P -","- C120 H98 B2 F48 Ir2 P2 -","2","1","","Ikeda, Yousuke; Takano, Koichi; Kodama, Shintaro; Ishii, Youichi","1,4- and 1,3-Metal Migration in a Cp*IrIIIComplex: Experimental Evidence of Direct 1,3-Metal Migration","Organometallics","2014","33","15","3998","","10.1021/om5005258","","","0.71075","MoKα","","","0.0695","","","","0.178","","","","","","1.062","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084063","6.4347","0.0002","9.8553","0.0003","9.9053","0.0003","94.626","0.001","92.225","0.001","103.884","0.001","606.72","0.03","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H15 Au Cl O P -","- C10 H15 Au Cl O P -","- C20 H30 Au2 Cl2 O2 P2 -","2","1","","Schröder, Felix; Tugny, Coralie; Salanouve, Elise; Clavier, Hervé; Giordano, Laurent; Moraleda, Delphine; Gimbert, Yves; Mouriès-Mansuy, Virginie; Goddard, Jean-Philippe; Fensterbank, Louis","Secondary Phosphine Oxide‒Gold(I) Complexes and Their First Application in Catalysis","Organometallics","2014","33","15","4051","","10.1021/om500568q","","","0.71073","MoKα","","0.0163","0.015","","","0.0369","0.0373","","","","","","1.056","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084064","9.6536","0.0002","9.8246","0.0002","16.8039","0.0004","101.016","0.001","106.454","0.001","97.442","0.001","1471.47","0.06","200","2","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 Au Cl O P -","- C12 H23 Au Cl O P -","- C48 H92 Au4 Cl4 O4 P4 -","4","2","","Schröder, Felix; Tugny, Coralie; Salanouve, Elise; Clavier, Hervé; Giordano, Laurent; Moraleda, Delphine; Gimbert, Yves; Mouriès-Mansuy, Virginie; Goddard, Jean-Philippe; Fensterbank, Louis","Secondary Phosphine Oxide‒Gold(I) Complexes and Their First Application in Catalysis","Organometallics","2014","33","15","4051","","10.1021/om500568q","","","0.71073","MoKα","","0.0208","0.0188","","","0.0469","0.0481","","","","","","1.026","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084065","11.3381","0.0003","15.585","0.0003","14.696","0.0004","90","","91.511","0.001","90","","2595.94","0.11","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H19 Au Cl O P -","- C8 H19 Au Cl O P -","- C64 H152 Au8 Cl8 O8 P8 -","8","2","","Schröder, Felix; Tugny, Coralie; Salanouve, Elise; Clavier, Hervé; Giordano, Laurent; Moraleda, Delphine; Gimbert, Yves; Mouriès-Mansuy, Virginie; Goddard, Jean-Philippe; Fensterbank, Louis","Secondary Phosphine Oxide‒Gold(I) Complexes and Their First Application in Catalysis","Organometallics","2014","33","15","4051","","10.1021/om500568q","","x-ray","0.71073","MoKα","","0.1526","0.0502","","","0.0887","0.1149","","","","","","0.983","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084066","6.3972","0.0001","19.2951","0.0004","21.8976","0.0006","90","","90","","90","","2702.92","0.1","203","2","203","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Au Cl O P -","- C12 H17 Au Cl O P -","- C96 H136 Au8 Cl8 O8 P8 -","8","1","","Schröder, Felix; Tugny, Coralie; Salanouve, Elise; Clavier, Hervé; Giordano, Laurent; Moraleda, Delphine; Gimbert, Yves; Mouriès-Mansuy, Virginie; Goddard, Jean-Philippe; Fensterbank, Louis","Secondary Phosphine Oxide‒Gold(I) Complexes and Their First Application in Catalysis","Organometallics","2014","33","15","4051","","10.1021/om500568q","","x-ray","0.71073","MoKα","","0.05","0.0343","","","0.0789","0.0843","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084067","8.6591","0.0003","16.4937","0.0005","18.0709","0.0006","90","","94.626","0.002","90","","2572.49","0.15","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Au F6 N O4 P Sb -","- C20 H26 Au F6 N O4 P Sb -","- C80 H104 Au4 F24 N4 O16 P4 Sb4 -","4","1","","Schröder, Felix; Tugny, Coralie; Salanouve, Elise; Clavier, Hervé; Giordano, Laurent; Moraleda, Delphine; Gimbert, Yves; Mouriès-Mansuy, Virginie; Goddard, Jean-Philippe; Fensterbank, Louis","Secondary Phosphine Oxide‒Gold(I) Complexes and Their First Application in Catalysis","Organometallics","2014","33","15","4051","","10.1021/om500568q","","","0.71073","MoKα","","0.0536","0.0416","","","0.0908","0.0945","","","","","","1.186","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084068","8.516","0.0009","12.3755","0.0014","27.166","0.003","90","","90","","90","","2863","0.5","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1a","","","- C34 H34 N2 P2 -","- C34 H34 N2 P2 -","- C136 H136 N8 P8 -","4","1","","Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio","Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest","Organometallics","2014","33","15","4086","","10.1021/om5005989","","","0.71073","MoKα","","0.0926","0.0513","","","0.0866","0.0982","","","","","","0.828","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084069","14.02","0.002","15.516","0.002","17.188","0.003","90","","90","","90","","3739","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1b","","","- C43 H37 Cl3 N2 P2 -","- C43 H37 Cl3 N2 P2 -","- C172 H148 Cl12 N8 P8 -","4","1","","Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio","Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest","Organometallics","2014","33","15","4086","","10.1021/om5005989","","","0.71073","MoKα","","0.0277","0.0256","","","0.067","0.0686","","","","","","1.034","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084070","9.087","0.003","13.838","0.004","9.412","0.003","90","","116.876","0.004","90","","1055.7","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","compound 4","","","- C23 H29 B N O2 P -","- C23 H29 B N O2 P -","- C46 H58 B2 N2 O4 P2 -","2","1","","Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio","Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest","Organometallics","2014","33","15","4086","","10.1021/om5005989","","","0.71073","MoKα","","0.0736","0.0538","","","0.113","0.1211","","","","","","0.969","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084071","11.5919","0.0008","8.693","0.0006","12.5598","0.0008","90","","106.365","0.001","90","","1214.36","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound 5","","","- C26 H28 B2 O2 P2 -","- C26 H27.474 B2 O2 P2 -","- C52 H54.948 B4 O4 P4 -","2","1","","Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio","Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest","Organometallics","2014","33","15","4086","","10.1021/om5005989","","","0.71073","MoKα","","0.0632","0.0435","","","0.0941","0.102","","","","","","0.97","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084072","10.1702","0.001","11.443","0.0011","11.597","0.0012","61.817","0.002","88.618","0.002","85.323","0.002","1185.5","0.2","100","2","100","2","","","","","","","","8","P 1","P 1","1","trans-[Fe(MeCN)2(7a)](SbF6) (9a)","","","- C40 H44 Cl4 F12 Fe N4 P2 Sb2 -","- C40 H44 Cl4 F12 Fe N4 P2 Sb2 -","- C40 H44 Cl4 F12 Fe N4 P2 Sb2 -","1","1","","Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio","Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest","Organometallics","2014","33","15","4086","","10.1021/om5005989","","","0.71073","MoKα","","0.0856","0.0555","","","0.1063","0.1173","","","","","","0.921","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084073","10.9951","0.0002","16.9467","0.0004","11.7348","0.0003","90","","113.012","0.001","90","","2012.55","0.08","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Fe(MeCN)2(1a)](BF4)2 (10a)","","","- C40 H47 B2 F8 Fe N5 P2 -","- C40 H47 B2 F8 Fe N5 P2 -","- C80 H94 B4 F16 Fe2 N10 P4 -","2","1","","Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio","Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest","Organometallics","2014","33","15","4086","","10.1021/om5005989","","","0.71073","MoKα","","0.0436","0.037","","","0.0866","0.0903","","","","","","1.025","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084074","10.2747","0.0006","16.0208","0.0009","21.1717","0.0012","90","","90","","90","","3485.1","0.3","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","[FeBr(CO)(2a)]SbF6 (cis-11a)","","","- C35 H34 Br F6 Fe N2 O P2 Sb -","- C35 H34 Br F6 Fe N2 O P2 Sb -","- C140 H136 Br4 F24 Fe4 N8 O4 P8 Sb4 -","4","1","","Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio","Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest","Organometallics","2014","33","15","4086","","10.1021/om5005989","","","0.71073","MoKα","","0.0689","0.052","","","0.1328","0.1426","","","","","","1.049","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084075","11.547","0.002","18.74","0.004","12.546","0.003","90","","112.51","0.03","90","","2508","1.1","198","2","198","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H56 Cl4 N4 O4 Pd2 -","- C48 H56 Cl4 N4 O4 Pd2 -","- C96 H112 Cl8 N8 O8 Pd4 -","2","1","","Micksch, Maik; Tenne, Mario; Strassner, Thomas","Cyclometalated 2-Phenylimidazole Palladium Carbene Complexes in the Catalytic Suzuki‒Miyaura Cross-Coupling Reaction","Organometallics","2014","33","15","3966","","10.1021/om5004336","","","0.71073","MoKα","","0.0672","0.034","","","0.095","0.1091","","","","","","1.211","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084076","11.946","0.0017","14.881","0.005","21.254","0.005","90","","114.357","0.016","90","","3442","1.6","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 Cl N4 Pd -","- C37 H45 Cl N4 Pd -","- C148 H180 Cl4 N16 Pd4 -","4","1","","Micksch, Maik; Tenne, Mario; Strassner, Thomas","Cyclometalated 2-Phenylimidazole Palladium Carbene Complexes in the Catalytic Suzuki‒Miyaura Cross-Coupling Reaction","Organometallics","2014","33","15","3966","","10.1021/om5004336","","","0.71073","MoKα","","0.0572","0.0327","","","0.0974","0.1187","","","","","","0.876","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084077","9.767","0.0006","13.108","0.0017","17.632","0.003","95.818","0.012","92.665","0.01","90.906","0.009","2242.8","0.5","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H62 N4 O2 Pd -","- C50 H62 N4 O2 Pd -","- C100 H124 N8 O4 Pd2 -","2","1","","Micksch, Maik; Tenne, Mario; Strassner, Thomas","Cyclometalated 2-Phenylimidazole Palladium Carbene Complexes in the Catalytic Suzuki‒Miyaura Cross-Coupling Reaction","Organometallics","2014","33","15","3966","","10.1021/om5004336","","","0.71073","MoKα","","0.065","0.0428","","","0.0916","0.1009","","","","","","1.071","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084078","8.3237","0.0017","14.902","0.003","21.21","0.004","90","","90","","90","","2630.9","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Fe2 N2 O2 -","- C31 H32 Fe2 N2 O2 -","- C124 H128 Fe8 N8 O8 -","4","1","","Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Coupling of Isocyanide and μ-Aminocarbyne Ligands in Diiron Complexes Promoted by Hydride Addition","Organometallics","2014","33","15","3990","","10.1021/om500502h","","","0.71073","MoKα","","0.0771","0.0569","","","0.1289","0.1387","","","","","","1.087","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084079","9.1734","0.0018","12.465","0.003","27.229","0.005","90","","93.88","0.03","90","","3106.4","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 F3 Fe2 N2 O5 S -","- C32 H31 F3 Fe2 N2 O5 S -","- C128 H124 F12 Fe8 N8 O20 S4 -","4","1","","Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Coupling of Isocyanide and μ-Aminocarbyne Ligands in Diiron Complexes Promoted by Hydride Addition","Organometallics","2014","33","15","3990","","10.1021/om500502h","","","0.71073","MoKα","","0.1124","0.0659","","","0.1618","0.1812","","","","","","0.944","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084095","11.4639","0.0003","15.1728","0.0003","15.9971","0.0004","90","","94.946","0.001","90","","2772.17","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 Cl3 Fe Ru -","- C29 H35 Cl3 Fe Ru -","- C116 H140 Cl12 Fe4 Ru4 -","4","1","","Schulz, Jiří; Uhlík, Filip; Speck, J. Matthäus; Císařová, Ivana; Lang, Heinrich; Štěpnička, Petr","Synthesis, Crystal Structures, and Electrochemical Behavior of Fe‒Ru Heterobimetallic Complexes with Bridged Metallocene Units","Organometallics","2014","33","18","5020","","10.1021/om500505n","","","0.71073","MoKα","","0.0295","0.0221","","","0.0489","0.052","","","","","","1.027","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084096","7.3581","0.0002","9.2401","0.0002","39.8452","0.001","90","","95.061","0.001","90","","2698.5","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 Cl3 Fe Ru -","- C29 H33 Cl3 Fe Ru -","- C116 H132 Cl12 Fe4 Ru4 -","4","1","","Schulz, Jiří; Uhlík, Filip; Speck, J. Matthäus; Císařová, Ivana; Lang, Heinrich; Štěpnička, Petr","Synthesis, Crystal Structures, and Electrochemical Behavior of Fe‒Ru Heterobimetallic Complexes with Bridged Metallocene Units","Organometallics","2014","33","18","5020","","10.1021/om500505n","","","0.71073","MoKα","","0.0431","0.0321","","","0.0632","0.0667","","","","","","1.038","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084097","17.4315","0.0003","10.9696","0.0002","14.0181","0.0003","90","","108.43","0.001","90","","2543.01","0.09","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl3 F6 Fe P Ru -","- C24 H20 Cl3 F6 Fe P Ru -","- C96 H80 Cl12 F24 Fe4 P4 Ru4 -","4","1","","Schulz, Jiří; Uhlík, Filip; Speck, J. Matthäus; Císařová, Ivana; Lang, Heinrich; Štěpnička, Petr","Synthesis, Crystal Structures, and Electrochemical Behavior of Fe‒Ru Heterobimetallic Complexes with Bridged Metallocene Units","Organometallics","2014","33","18","5020","","10.1021/om500505n","","","0.71073","MoKα","","0.0301","0.0276","","","0.0718","0.0741","","","","","","1.019","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084098","7.3536","0.0003","9.157","0.0004","20.1027","0.0008","90","","94.364","0.002","90","","1349.73","0.1","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C29 H31 Cl3 Fe Ru -","- C29 H31 Cl3 Fe Ru -","- C58 H62 Cl6 Fe2 Ru2 -","2","0.5","","Schulz, Jiří; Uhlík, Filip; Speck, J. Matthäus; Císařová, Ivana; Lang, Heinrich; Štěpnička, Petr","Synthesis, Crystal Structures, and Electrochemical Behavior of Fe‒Ru Heterobimetallic Complexes with Bridged Metallocene Units","Organometallics","2014","33","18","5020","","10.1021/om500505n","","","0.71073","MoKα","","0.0411","0.0376","","","0.0911","0.0924","","","","","","1.139","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084099","13.8536","0.0005","17.802","0.0005","18.9458","0.0005","66.076","0.001","76.642","0.001","89.891","0.001","4133.3","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H37 Cl3 F6 Fe2 N P Ru -","- C44 H37 Cl3 F6 Fe2 N P Ru -","- C176 H148 Cl12 F24 Fe8 N4 P4 Ru4 -","4","2","","Schulz, Jiří; Uhlík, Filip; Speck, J. Matthäus; Císařová, Ivana; Lang, Heinrich; Štěpnička, Petr","Synthesis, Crystal Structures, and Electrochemical Behavior of Fe‒Ru Heterobimetallic Complexes with Bridged Metallocene Units","Organometallics","2014","33","18","5020","","10.1021/om500505n","","","0.71073","MoKα","","0.0438","0.0339","","","0.0792","0.0864","","","","","","1.033","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084100","8.7442","0.0001","10.0791","0.0001","19.4342","0.0002","97.3889","0.0007","98.7774","0.0008","111.427","0.0009","1543.79","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H39 B F4 N6 Ni -","- C31 H39 B F4 N6 Ni -","- C62 H78 B2 F8 N12 Ni2 -","2","1","","Wei, Yingfei; Petronilho, Ana; Mueller-Bunz, Helge; Albrecht, Martin","Mesoionic Triazolylidene Nickel Complexes: Synthesis, Ligand Lability, and Catalytic C‒C Bond Formation Activity","Organometallics","2014","33","20","5834","","10.1021/om500593s","","","0.71073","MoKα","","0.0359","0.0311","","","0.0675","0.0702","","","","","","1.051","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084101","8.7847","0.0002","9.5663","0.0002","9.618","0.0002","77.545","0.001","89.782","0.002","64.877","0.002","711.05","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 I2 N6 Ni -","- C26 H34 I2 N6 Ni -","- C26 H34 I2 N6 Ni -","1","0.5","","Wei, Yingfei; Petronilho, Ana; Mueller-Bunz, Helge; Albrecht, Martin","Mesoionic Triazolylidene Nickel Complexes: Synthesis, Ligand Lability, and Catalytic C‒C Bond Formation Activity","Organometallics","2014","33","20","5834","","10.1021/om500593s","","","0.71073","MoKα","","0.0193","0.0173","","","0.0367","0.0378","","","","","","1.054","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084102","11.0802","0.0002","14.6271","0.0002","20.3387","0.0004","90","","104.473","0.002","90","","3191.71","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 Ni -","- C20 H17 N3 Ni -","- C160 H136 N24 Ni8 -","8","2","","Wei, Yingfei; Petronilho, Ana; Mueller-Bunz, Helge; Albrecht, Martin","Mesoionic Triazolylidene Nickel Complexes: Synthesis, Ligand Lability, and Catalytic C‒C Bond Formation Activity","Organometallics","2014","33","20","5834","","10.1021/om500593s","","","0.71073","MoKα","","0.0314","0.0271","","","0.0683","0.0709","","","","","","1.029","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084103","9.6319","0.0002","11.1871","0.0002","17.2369","0.0003","90","","90.263","0.002","90","","1857.31","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 I N3 Ni -","- C20 H18 I N3 Ni -","- C80 H72 I4 N12 Ni4 -","4","1","","Wei, Yingfei; Petronilho, Ana; Mueller-Bunz, Helge; Albrecht, Martin","Mesoionic Triazolylidene Nickel Complexes: Synthesis, Ligand Lability, and Catalytic C‒C Bond Formation Activity","Organometallics","2014","33","20","5834","","10.1021/om500593s","","","1.54184","CuKα","","0.0252","0.0236","","","0.0521","0.0533","","","","","","1.037","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084104","10.80156","0.00005","19.60167","0.00007","15.81324","0.00006","90","","97.2509","0.0004","90","","3321.34","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34.283 H42.752 I N6 Ni -","- C34.283 H42.752 I N6 Ni -","- C137.132 H171.008 I4 N24 Ni4 -","4","2","","Wei, Yingfei; Petronilho, Ana; Mueller-Bunz, Helge; Albrecht, Martin","Mesoionic Triazolylidene Nickel Complexes: Synthesis, Ligand Lability, and Catalytic C‒C Bond Formation Activity","Organometallics","2014","33","20","5834","","10.1021/om500593s","","","1.54184","CuKα","","0.0286","0.0274","","","0.0698","0.0708","","","","","","1.039","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084105","10.1035","0.0001","22.646","0.0003","27.1079","0.0003","90","","90","","90","","6202.39","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 B F4 N6 Ni -","- C27 H47 B F4 N6 Ni -","- C216 H376 B8 F32 N48 Ni8 -","8","2","","Wei, Yingfei; Petronilho, Ana; Mueller-Bunz, Helge; Albrecht, Martin","Mesoionic Triazolylidene Nickel Complexes: Synthesis, Ligand Lability, and Catalytic C‒C Bond Formation Activity","Organometallics","2014","33","20","5834","","10.1021/om500593s","","","0.71073","MoKα","","0.0668","0.0655","","","0.1397","0.1405","","","","","","1.194","","","","has coordinates,has disorder","178730","2020-10-21","18:00:00",""
"4084106","9.85953","0.00007","12.12579","0.00009","13.7193","0.00009","102.654","0.0006","97.9081","0.0005","105.424","0.0006","1508.91","0.02","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H100 Cl2 N12 Ni2 O3 -","- C54 H100 Cl2 N12 Ni2 O3 -","- C54 H100 Cl2 N12 Ni2 O3 -","1","0.5","","Wei, Yingfei; Petronilho, Ana; Mueller-Bunz, Helge; Albrecht, Martin","Mesoionic Triazolylidene Nickel Complexes: Synthesis, Ligand Lability, and Catalytic C‒C Bond Formation Activity","Organometallics","2014","33","20","5834","","10.1021/om500593s","","","0.71073","MoKα","","0.0406","0.032","","","0.0722","0.0771","","","","","","1.049","","","","has coordinates,has disorder","178730","2020-10-21","18:00:00",""
"4084107","11.085","0.001","13.195","0.001","14.203","0.001","81.567","0.001","73.508","0.001","71.667","0.001","1887.1","0.3","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","dibenzyl[(1S*,2R*)-2-(dibenzylamino)-1,2-diphenylethyl]amine","","","- C49 H48 N2 -","- C49 H48 N2 -","- C98 H96 N4 -","2","1","","Hermant, Fabien; Urbańska, Ewelina; Seizilles de Mazancourt, Sarah; Maubert, Thomas; Nicolas, Emmanuel; Six, Yvan","Reductive Alkylation of Thioamides with Grignard Reagents in the Presence of Ti(OiPr)4: Insight and Extension","Organometallics","2014","33","20","5643","","10.1021/om500603v","","","0.71069","MoKα","","0.1317","0.0855","","","0.1486","0.1757","","","","","","1.133","","","","has coordinates,has disorder","178730","2020-10-21","18:00:00",""
"4084108","9.957","0.002","7.1259","0.0016","8.8994","0.0018","90","","101.318","0.014","90","","619.2","0.2","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 N5 -","- C5 H5 N5 -","- C20 H20 N20 -","4","1","","Schick, Sabrina; Pape, Tania; Hahn, F. Ekkehardt","Coordination Chemistry of Bidentate Bis(NHC) Ligands with Two Different NHC Donors","Organometallics","2014","33","15","4035","","10.1021/om500554t","","","1.54178","CuKα","","0.0637","0.0572","","","0.1624","0.1682","","","","","","1.154","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084109","13.2878","0.0005","7.7937","0.0003","16.7579","0.0005","90","","112.115","0.002","90","","1607.79","0.1","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 B2 F8 N5 -","- C11 H13 B2 F8 N5 -","- C44 H52 B8 F32 N20 -","4","1","","Schick, Sabrina; Pape, Tania; Hahn, F. Ekkehardt","Coordination Chemistry of Bidentate Bis(NHC) Ligands with Two Different NHC Donors","Organometallics","2014","33","15","4035","","10.1021/om500554t","","","1.54178","CuKα","","0.0579","0.0514","","","0.1453","0.1508","","","","","","1.068","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084110","6.3861","0.0005","14.5693","0.0011","28.194","0.002","90","","90.958","0.002","90","","2622.8","0.3","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 B2 F8 N6 O2 Pd S2 -","- C17 H26 B2 F8 N6 O2 Pd S2 -","- C68 H104 B8 F32 N24 O8 Pd4 S8 -","4","1","","Schick, Sabrina; Pape, Tania; Hahn, F. Ekkehardt","Coordination Chemistry of Bidentate Bis(NHC) Ligands with Two Different NHC Donors","Organometallics","2014","33","15","4035","","10.1021/om500554t","","","0.71073","MoKα","","0.1221","0.0538","","","0.1097","0.1358","","","","","","1.012","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084111","15.4586","0.0009","8.4466","0.0005","18.5053","0.0011","90","","104.607","0.003","90","","2338.2","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 B2 F8 N7 Pd -","- C17 H21 B2 F8 N7 Pd -","- C68 H84 B8 F32 N28 Pd4 -","4","1","","Schick, Sabrina; Pape, Tania; Hahn, F. Ekkehardt","Coordination Chemistry of Bidentate Bis(NHC) Ligands with Two Different NHC Donors","Organometallics","2014","33","15","4035","","10.1021/om500554t","","","0.71073","MoKα","","0.0303","0.0244","","","0.0734","0.0895","","","","","","0.871","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084112","25.5241","0.001","28.4837","0.0011","11.1776","0.0004","90","","90","","90","","8126.3","0.5","153","2","153","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C12 H16.5 B2 F8 N7.5 Pd -","- C12 H16.5 B2 F8 N7.5 Pd -","- C192 H264 B32 F128 N120 Pd16 -","16","1","","Schick, Sabrina; Pape, Tania; Hahn, F. Ekkehardt","Coordination Chemistry of Bidentate Bis(NHC) Ligands with Two Different NHC Donors","Organometallics","2014","33","15","4035","","10.1021/om500554t","","","0.71073","MoKα","","0.0274","0.0249","","","0.0587","0.0597","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084113","15.5968","0.0003","17.3262","0.0005","26.5022","0.0006","108.414","0.001","105.187","0.001","91.546","0.001","6510.5","0.3","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","[Pd2Cl2(Me)2(1,3-trans-dppcbO2)]","","- C121.7 H116 Cl17.7 O4 P8 Pd4 -","- C121.7 H116 Cl17.7 O4 P8 Pd4 -","- C243.4 H232 Cl35.4 O8 P16 Pd8 -","2","1","","Oberhauser, Werner; Manca, Gabriele; Ienco, Andrea; Strabler, Christof; Prock, Johannes; Weninger, Alexander; Gutmann, Rene; Brüggeller, Peter","Linear α-Olefins Obtained with Palladium(II) Complexes Bearing a Partially Oxidized Tetraphosphane","Organometallics","2014","33","15","4067","","10.1021/om500573q","","","0.71073","MoKα","","0.0631","0.0478","","","0.1259","0.1626","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084114","14.3998","0.0006","43.289","0.002","18.0032","0.0007","90","","109.046","0.0009","90","","10608","0.8","243","2","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Pd2Cl2(Me)2(2,3-trans-dppcbO2)]","","- C55 H52 Cl4 O2.8 P4 Pd2 -","- C55 H52 Cl4 O2.8 P4 Pd2 -","- C440 H416 Cl32 O22.4 P32 Pd16 -","8","2","","Oberhauser, Werner; Manca, Gabriele; Ienco, Andrea; Strabler, Christof; Prock, Johannes; Weninger, Alexander; Gutmann, Rene; Brüggeller, Peter","Linear α-Olefins Obtained with Palladium(II) Complexes Bearing a Partially Oxidized Tetraphosphane","Organometallics","2014","33","15","4067","","10.1021/om500573q","","","0.71073","MoKα","","0.0671","0.049","","","0.1361","0.1812","","","","","","0.979","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084115","12.9989","0.0004","16.7551","0.0005","26.836","0.001","73.752","0.001","81.623","0.002","74.561","0.002","5392.9","0.3","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","[Pd2Cl2(Me)2(1,3-trans-dppcbS2)]","","- C54 H50 Cl2 P4 Pd2 S2 -","- C54 H50 Cl2 P4 Pd2 S2 -","- C216 H200 Cl8 P16 Pd8 S8 -","4","2","","Oberhauser, Werner; Manca, Gabriele; Ienco, Andrea; Strabler, Christof; Prock, Johannes; Weninger, Alexander; Gutmann, Rene; Brüggeller, Peter","Linear α-Olefins Obtained with Palladium(II) Complexes Bearing a Partially Oxidized Tetraphosphane","Organometallics","2014","33","15","4067","","10.1021/om500573q","","","0.71073","MoKα","","0.0469","0.0426","","","0.0949","0.1056","","","","","","0.998","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084116","12.6896","0.0004","13.2844","0.0004","18.6285","0.0006","102.671","0.002","93.34","0.002","114.708","0.002","2743.18","0.16","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","[Pd2Cl2(Me)2(1,3-trans-dppcbSe2)]","","- C55 H52 Cl4 P4 Pd2 Se2 -","- C55 H52 Cl4 P4 Pd2 Se2 -","- C110 H104 Cl8 P8 Pd4 Se4 -","2","1","","Oberhauser, Werner; Manca, Gabriele; Ienco, Andrea; Strabler, Christof; Prock, Johannes; Weninger, Alexander; Gutmann, Rene; Brüggeller, Peter","Linear α-Olefins Obtained with Palladium(II) Complexes Bearing a Partially Oxidized Tetraphosphane","Organometallics","2014","33","15","4067","","10.1021/om500573q","","","0.71073","MoKα","","0.0687","0.0405","","","0.0986","0.1399","","","","","","0.985","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084117","18.1927","0.0005","11.5425","0.0003","20.4504","0.0006","90","","108.009","0.002","90","","4084","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C42 H64 P4 Tm -","- C42 H64 P4 Tm -","- C168 H256 P16 Tm4 -","4","1","","Jacquot, Léa; Xémard, Mathieu; Clavaguéra, Carine; Nocton, Grégory","Multiple One-Electron Transfers in Bipyridine Complexes of Bis(phospholyl) Thulium","Organometallics","2014","33","15","4100","","10.1021/om500607r","","x-ray","0.71073","MoKα","","0.0875","0.0615","","","0.1405","0.1569","","","","","","1.124","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084118","10.669","0.001","16.178","0.001","21.32","0.001","90","","101.734","0.001","90","","3603","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H56 N2 P2 Tm -","- C38 H56 N2 P2 Tm -","- C152 H224 N8 P8 Tm4 -","4","1","","Jacquot, Léa; Xémard, Mathieu; Clavaguéra, Carine; Nocton, Grégory","Multiple One-Electron Transfers in Bipyridine Complexes of Bis(phospholyl) Thulium","Organometallics","2014","33","15","4100","","10.1021/om500607r","","x-ray","0.71069","MoKα","","0.0388","0.0346","","","0.132","0.1406","","","","","","1.094","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084119","10.7289","0.0003","19.5591","0.0004","17.042","0.0005","90","","92.742","0.001","90","","3572.13","0.16","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C41 H48 N4 P Tm -","- C41 H48 N4 P Tm -","- C164 H192 N16 P4 Tm4 -","4","1","","Jacquot, Léa; Xémard, Mathieu; Clavaguéra, Carine; Nocton, Grégory","Multiple One-Electron Transfers in Bipyridine Complexes of Bis(phospholyl) Thulium","Organometallics","2014","33","15","4100","","10.1021/om500607r","","x-ray","0.71073","MoKα","","0.0758","0.0471","","","0.0876","0.1027","","","","","","1.075","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084120","9.8852","0.0005","14.8057","0.0007","9.5666","0.0005","90","","104.348","0.002","90","","1356.47","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N3 O3 Re -","- C13 H14 N3 O3 Re -","- C52 H56 N12 O12 Re4 -","4","1","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","Guanidine-Functionalized Rhenium Cyclopentadienyl Carbonyl Complexes: Synthesis and Cooperative Activation of H‒H and O‒H Bonds","Organometallics","2014","33","15","4107","","10.1021/om500650b","","","0.71073","MoKα","","0.0278","0.0201","","","0.0437","0.0462","","","","","","1.019","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084121","8.1382","0.001","21.483","0.003","9.4361","0.0012","90","","90.539","0.006","90","","1649.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 B F4 N3 O3 Re -","- C13 H15 B F4 N3 O3 Re -","- C52 H60 B4 F16 N12 O12 Re4 -","4","1","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","Guanidine-Functionalized Rhenium Cyclopentadienyl Carbonyl Complexes: Synthesis and Cooperative Activation of H‒H and O‒H Bonds","Organometallics","2014","33","15","4107","","10.1021/om500650b","","","0.71073","MoKα","","0.0233","0.0189","","","0.0422","0.0434","","","","","","1.122","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084122","21.1586","0.0009","7.8417","0.0003","22.8621","0.001","90","","90","","90","","3793.3","0.3","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C12 H15 B2 F8 N4 O3 Re -","- C12 H15 B2 F8 N4 O3 Re -","- C96 H120 B16 F64 N32 O24 Re8 -","8","2","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","Guanidine-Functionalized Rhenium Cyclopentadienyl Carbonyl Complexes: Synthesis and Cooperative Activation of H‒H and O‒H Bonds","Organometallics","2014","33","15","4107","","10.1021/om500650b","","","0.71073","MoKα","","0.0445","0.0386","","","0.0858","0.0888","","","","","","1.12","","","","has coordinates,has disorder","178730","2020-10-21","18:00:00",""
"4084123","11.1053","0.0004","9.9635","0.0003","14.9378","0.0005","90","","95.243","0.001","90","","1645.92","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 B F4 N4 O3 Re -","- C12 H14 B F4 N4 O3 Re -","- C48 H56 B4 F16 N16 O12 Re4 -","4","1","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","Guanidine-Functionalized Rhenium Cyclopentadienyl Carbonyl Complexes: Synthesis and Cooperative Activation of H‒H and O‒H Bonds","Organometallics","2014","33","15","4107","","10.1021/om500650b","","","0.71073","MoKα","","0.0414","0.0341","","","0.0699","0.0737","","","","","","1.148","","","","has coordinates,has disorder","178730","2020-10-21","18:00:00",""
"4084124","8.3732","0.0004","7.8158","0.0004","23.0017","0.0011","90","","95.791","0.002","90","","1497.62","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N4 O4 Re -","- C13 H17 N4 O4 Re -","- C52 H68 N16 O16 Re4 -","4","1","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","Guanidine-Functionalized Rhenium Cyclopentadienyl Carbonyl Complexes: Synthesis and Cooperative Activation of H‒H and O‒H Bonds","Organometallics","2014","33","15","4107","","10.1021/om500650b","","","0.71073","MoKα","","0.0235","0.0215","","","0.0458","0.0465","","","","","","1.101","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084125","18.4206","0.0011","10.5744","0.0007","25.4029","0.0017","90","0.0007","90.4762","0.0007","90","0.0007","4948","0.6","228.15","","228.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H44 O8 Si6 -","- C51.5 H44 O8 Si6 -","- C206 H176 O32 Si24 -","4","1","","Endo, Hisayuki; Takeda, Nobuhiro; Unno, Masafumi","Synthesis and Properties of Phenylsilsesquioxanes with Ladder and Double-Decker Structures","Organometallics","2014","33","15","4148","","10.1021/om500010y","","","0.7107","MoKα","","0.0468","0.0437","","","0.1026","0.1072","","","","","","1.152","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084126","10.7054","0.0009","13.9916","0.0011","47.955","0.004","90.768","0.004","94.007","0.004","90.36","0.004","7164.6","1","180.15","","180.15","","","","","","","","","4","P -1","-P 1","2","","","","- C75.5 H64 O10 Si8 -","- C75.5 H64 O10 Si8 -","- C302 H256 O40 Si32 -","4","2","","Endo, Hisayuki; Takeda, Nobuhiro; Unno, Masafumi","Synthesis and Properties of Phenylsilsesquioxanes with Ladder and Double-Decker Structures","Organometallics","2014","33","15","4148","","10.1021/om500010y","","","0.7107","MoKα","","0.1018","0.0929","","","0.2166","0.2228","","","","","","1.166","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084127","12.3673","0.0011","15.8156","0.0015","18.8138","0.0019","101.281","0.002","103.206","0.002","95.94","0.002","3470.8","0.6","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H60 O14 Si10 -","- C72 H60 O14 Si10 -","- C144 H120 O28 Si20 -","2","1","","Endo, Hisayuki; Takeda, Nobuhiro; Unno, Masafumi","Synthesis and Properties of Phenylsilsesquioxanes with Ladder and Double-Decker Structures","Organometallics","2014","33","15","4148","","10.1021/om500010y","","","0.7107","MoKα","","0.0454","0.0426","","","0.1043","0.1061","","","","","","1.118","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084128","6.8049","0.0006","10.6558","0.0004","12.3859","0.0007","90","","90","","90","","898.12","0.1","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cis-Dichloro-(eta4-cyclo-octadiene)-platinum(II)","","- C8 H12 Cl2 Pt -","- C8 H12 Cl2 Pt -","- C32 H48 Cl8 Pt4 -","4","1","","Enders, Mirja; Görling, Benjamin; Braun, Alexander B.; Seltenreich, Judith E.; Reichenbach, Linus F.; Rissanen, Kari; Nieger, Martin; Luy, Burkhard; Schepers, Ute; Bräse, Stefan","Cytotoxicity and NMR Studies of Platinum Complexes with Cyclooctadiene Ligands","Organometallics","2014","33","15","4027","","10.1021/om500540x","","","0.71073","MoKα","","0.0168","0.0162","","","0.0379","0.0382","","","","","","1.095","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084129","7.68","0.0004","20.7489","0.001","8.2684","0.0008","90","","106.508","0.006","90","","1263.27","0.16","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","eta4-(1-Ethyl1,5-cycoloctadienyl)-diiodoplatinium(II)","","- C10 H16 I2 Pt -","- C10 H16 I2 Pt -","- C40 H64 I8 Pt4 -","4","1","","Enders, Mirja; Görling, Benjamin; Braun, Alexander B.; Seltenreich, Judith E.; Reichenbach, Linus F.; Rissanen, Kari; Nieger, Martin; Luy, Burkhard; Schepers, Ute; Bräse, Stefan","Cytotoxicity and NMR Studies of Platinum Complexes with Cyclooctadiene Ligands","Organometallics","2014","33","15","4027","","10.1021/om500540x","","","0.71073","MoKα","","0.0222","0.0207","","","0.0464","0.0469","","","","","","1.184","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084130","11.4997","0.0007","10.4189","0.0003","12.1567","0.0008","90","","91.144","0.005","90","","1456.26","0.14","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","eta4-(1-Phenyl-1,5-cyclooctadienyl)-diiodoplatinium(II))","","- C14 H16 I2 Pt -","- C14 H16 I2 Pt -","- C56 H64 I8 Pt4 -","4","1","","Enders, Mirja; Görling, Benjamin; Braun, Alexander B.; Seltenreich, Judith E.; Reichenbach, Linus F.; Rissanen, Kari; Nieger, Martin; Luy, Burkhard; Schepers, Ute; Bräse, Stefan","Cytotoxicity and NMR Studies of Platinum Complexes with Cyclooctadiene Ligands","Organometallics","2014","33","15","4027","","10.1021/om500540x","","","0.71073","MoKα","","0.0203","0.0184","","","0.0377","0.0381","","","","","","1.238","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084131","9.2151","0.0005","15.0745","0.0012","12.1397","0.0006","90","","101.199","0.005","90","","1654.25","0.18","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","eta4-(1-Methyl-1,5-cyclooctadienyl)-diphenyl-platinium(II)","","- C21 H24 Pt -","- C21 H24 Pt -","- C84 H96 Pt4 -","4","1","","Enders, Mirja; Görling, Benjamin; Braun, Alexander B.; Seltenreich, Judith E.; Reichenbach, Linus F.; Rissanen, Kari; Nieger, Martin; Luy, Burkhard; Schepers, Ute; Bräse, Stefan","Cytotoxicity and NMR Studies of Platinum Complexes with Cyclooctadiene Ligands","Organometallics","2014","33","15","4027","","10.1021/om500540x","","","0.71073","MoKα","","0.0249","0.0206","","","0.0484","0.0511","","","","","","1.101","","","","has coordinates,has disorder","178730","2020-10-21","18:00:00",""
"4084132","7.991","0.001","12.918","0.001","20.335","0.002","90","","90","","90","","2099.1","0.4","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","eta4-(1,5-Cyclooctadien)-dimesitylplatinium(II)","","- C26 H34 Pt -","- C26 H34 Pt -","- C104 H136 Pt4 -","4","1","","Enders, Mirja; Görling, Benjamin; Braun, Alexander B.; Seltenreich, Judith E.; Reichenbach, Linus F.; Rissanen, Kari; Nieger, Martin; Luy, Burkhard; Schepers, Ute; Bräse, Stefan","Cytotoxicity and NMR Studies of Platinum Complexes with Cyclooctadiene Ligands","Organometallics","2014","33","15","4027","","10.1021/om500540x","","","0.71073","MoKα","","0.0204","0.0179","","","0.0405","0.0414","","","","","","1.26","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084133","10.8663","0.0016","21.996","0.003","17.198","0.003","90","","105.12","0.003","90","","3968.3","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 F12 N2 O2 Rh2 Sb2 -","- C32 H42 F12 N2 O2 Rh2 Sb2 -","- C128 H168 F48 N8 O8 Rh8 Sb8 -","4","0.5","","Carmona, Daniel; Lamata, Pilar; Sánchez, Antonio; Pardo, Pilar; Rodríguez, Ricardo; Ramírez, Paola; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Chiral Brønsted Acid Catalysts. Activation of Methyl 3,3,3-Trifluoropyruvate by Hydroxymethylpyridine-Containing Half-Sandwich Complexes","Organometallics","2014","33","15","4016","","10.1021/om5005463","","","0.71073","MoKα","","0.0485","0.04","","","0.0913","0.0951","","","","","","1.055","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084134","11.2673","0.0008","12.6581","0.0009","15.5594","0.0011","104.161","0.001","93.341","0.001","106.027","0.001","2049.1","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H42 Cl2 F12 N2 O2 Ru2 Sb2 -","- C33 H42 Cl2 F12 N2 O2 Ru2 Sb2 -","- C66 H84 Cl4 F24 N4 O4 Ru4 Sb4 -","2","1","","Carmona, Daniel; Lamata, Pilar; Sánchez, Antonio; Pardo, Pilar; Rodríguez, Ricardo; Ramírez, Paola; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Chiral Brønsted Acid Catalysts. Activation of Methyl 3,3,3-Trifluoropyruvate by Hydroxymethylpyridine-Containing Half-Sandwich Complexes","Organometallics","2014","33","15","4016","","10.1021/om5005463","","","0.71073","MoKα","","0.0949","0.0599","","","0.1332","0.1624","","","","","","0.761","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084135","9.972","0.002","9.467","0.002","19.936","0.004","90","","95.282","0.003","90","","1874.1","0.7","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39 H41 F6 Ir N2 O3 P Sb -","- C39 H41 F6 Ir N2 O3 P Sb -","- C78 H82 F12 Ir2 N4 O6 P2 Sb2 -","2","1","","Carmona, Daniel; Lamata, Pilar; Sánchez, Antonio; Pardo, Pilar; Rodríguez, Ricardo; Ramírez, Paola; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Chiral Brønsted Acid Catalysts. Activation of Methyl 3,3,3-Trifluoropyruvate by Hydroxymethylpyridine-Containing Half-Sandwich Complexes","Organometallics","2014","33","15","4016","","10.1021/om5005463","","","0.71073","MoKα","","0.1688","0.0757","","","0.139","0.1758","","","","","","0.965","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084136","19.0669","0.0008","11.7666","0.0005","18.4756","0.0008","90","","111.652","0.001","90","","3852.6","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 F12 N O2 P Ru Sb2 -","- C34 H38 F12 N O2 P Ru Sb2 -","- C136 H152 F48 N4 O8 P4 Ru4 Sb8 -","4","1","","Carmona, Daniel; Lamata, Pilar; Sánchez, Antonio; Pardo, Pilar; Rodríguez, Ricardo; Ramírez, Paola; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Chiral Brønsted Acid Catalysts. Activation of Methyl 3,3,3-Trifluoropyruvate by Hydroxymethylpyridine-Containing Half-Sandwich Complexes","Organometallics","2014","33","15","4016","","10.1021/om5005463","","","0.71073","MoKα","","0.0277","0.0241","","","0.0578","0.0598","","","","","","1.039","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084137","7.7323","0.0007","7.999","0.0006","16.7145","0.0014","102.266","0.007","96.939","0.007","90.8","0.006","1001.97","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H27 Cl N3 O2 P Ru -","- C17 H27 Cl N3 O2 P Ru -","- C34 H54 Cl2 N6 O4 P2 Ru2 -","2","1","","Chen, Tao; Li, Huaifeng; Qu, Shuanglin; Zheng, Bin; He, Lipeng; Lai, Zhiping; Wang, Zhi-Xiang; Huang, Kuo-Wei","Hydrogenation of Esters Catalyzed by Ruthenium PN3-Pincer Complexes Containing an Aminophosphine Arm","Organometallics","2014","33","15","4152","","10.1021/om500549t","","","0.71073","MoKα","","0.0597","0.0522","","","0.1249","0.1281","","","","","","1.286","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084138","13.165","0.007","13.977","0.007","19.195","0.01","90","","103.432","0.007","90","","3435","3","153","","153","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 N2 Ni O6 P2 Rh S2 -","- C29 H39 N2 Ni O6 P2 Rh S2 -","- C116 H156 N8 Ni4 O24 P8 Rh4 S8 -","4","1","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.71075","MoKα","","","0.0602","","","","0.1821","","","","","","1.079","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084139","13.074","0.008","14.113","0.008","19.279","0.011","90","","102.625","0.007","90","","3471","4","153","","153","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 N2 O6 P2 Pt Rh S2 -","- C29 H39 N2 O6 P2 Pt Rh S2 -","- C116 H156 N8 O24 P8 Pt4 Rh4 S8 -","4","1","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.71075","MoKα","","","0.05","","","","0.1469","","","","","","1.05","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084140","24.008","0.007","14.763","0.004","20.397","0.006","90","","118.949","0.003","90","","6326","3","153","","153","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H41 N Ni O3.5 P2 Rh S2 -","- C29 H40 N Ni O3.5 P2 Rh S2 -","- C232 H320 N8 Ni8 O28 P16 Rh8 S16 -","8","1","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.71075","MoKα","","","0.0443","","","","0.1255","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084141","24.088","0.019","14.844","0.011","20.387","0.016","90","","119.277","0.009","90","","6358","9","153","","153","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H41 Ir N Ni O3.5 P2 S2 -","- C29 H40 Ir N Ni O3.5 P2 S2 -","- C232 H320 Ir8 N8 Ni8 O28 P16 S16 -","8","1","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.71075","MoKα","","","0.0658","","","","0.1675","","","","","","1.137","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084142","26.16","0.003","16.3544","0.0011","18.3093","0.0014","90","","109.472","0.003","90","","7385.3","1.1","153","","153","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 N Ni O3.5 P2 Rh S2 -","- C37 H44 N Ni O3.5 P2 Rh S2 -","- C296 H352 N8 Ni8 O28 P16 Rh8 S16 -","8","2","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.71075","MoKα","","","0.0687","","","","0.166","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084143","26.068","0.006","15.995","0.003","18.555","0.004","90","","106.31","0.002","90","","7425","3","153","","153","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 N O3.5 P2 Pd Rh S2 -","- C37 H44 N O3.5 P2 Pd Rh S2 -","- C296 H352 N8 O28 P16 Pd8 Rh8 S16 -","8","2","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.71075","MoKα","","","0.0426","","","","0.1171","","","","","","1.115","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084144","26.045","0.007","15.927","0.004","18.629","0.005","90","","105.899","0.003","90","","7432","3","153","","153","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 N O3.5 P2 Pt Rh S2 -","- C37 H44 N O3.5 P2 Pt Rh S2 -","- C296 H352 N8 O28 P16 Pt8 Rh8 S16 -","8","2","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.71075","MoKα","","","0.0478","","","","0.1233","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084145","11.366","0.01","14.544","0.012","12.083","0.01","90","","96.348","0.011","90","","1985","3","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 P2 Pd S2 -","- C19 H24 P2 Pd S2 -","- C76 H96 P8 Pd4 S8 -","4","1","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.7107","MoKα","","","0.0371","","","","0.1031","","","","","","1.064","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084146","11.296","0.008","14.496","0.01","12.087","0.009","90","","96.251","0.01","90","","1967","2","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 P2 Pt S2 -","- C19 H24 P2 Pt S2 -","- C76 H96 P8 Pt4 S8 -","4","1","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.7107","MoKα","","","0.0366","","","","0.0797","","","","","","1.127","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084147","9.704","0.005","17.121","0.008","19.94","0.009","100.107","0.008","96.882","0.003","98.375","0.007","3191","3","153","","153","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H41 Cl2 Ni O P2 Rh S2 -","- C29 H39 Cl2 Ni O P2 Rh S2 -","- C116 H156 Cl8 Ni4 O4 P8 Rh4 S8 -","4","2","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.71075","MoKα","","","0.0507","","","","0.1479","","","","","","1.07","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084148","8.9192","0.0013","14.858","0.003","15.252","0.003","108.303","0.006","90.528","0.003","105.984","0.007","1834.6","0.6","153","","153","","","","","","","","","10","P -1","-P 1","2","","","","- C31 H43 Cl F6 N O0.5 P3 Pd Rh S2 -","- C31 H42 Cl F6 N O0.5 P3 Pd Rh S2 -","- C62 H84 Cl2 F12 N2 O P6 Pd2 Rh2 S4 -","2","1","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.71075","MoKα","","","0.135","","","","0.3529","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084149","28.157","0.0012","8.9769","0.0005","28.4449","0.0014","90","","90","","90","","7189.8","0.6","153","","153","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C29.5 H40 Cl2 F6 P3 Pt Rh S2 -","- C29.5 H40 Cl2 F6 P3 Pt Rh S2 -","- C236 H320 Cl16 F48 P24 Pt8 Rh8 S16 -","8","2","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.71075","MoKα","","","0.0872","","","","0.2251","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084150","14.9104","0.0005","20.7073","0.0007","22.3889","0.0007","90","","90","","90","","6912.7","0.4","153","","153","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C29 H39 Cl F6 Ir Ni P3 S2 -","- C29 H39 Cl F6 Ir Ni P3 S2 -","- C232 H312 Cl8 F48 Ir8 Ni8 P24 S16 -","8","1","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.71075","MoKα","","","0.0501","","","","0.1416","","","","","","1.125","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084151","15.6044","0.0008","17.9399","0.0008","12.2494","0.0006","90","","90","","90","","3429.1","0.3","153","","153","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H39 Cl F6 Ir P3 Pd S2 -","- C29 H39 Cl F6 Ir P3 Pd S2 -","- C116 H156 Cl4 F24 Ir4 P12 Pd4 S8 -","4","1","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.71075","MoKα","","","0.0283","","","","0.0606","","","","","","0.902","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084152","15.6756","0.001","17.9295","0.001","12.2503","0.0008","90","","90","","90","","3443","0.4","153","","153","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H39 Cl F6 Ir P3 Pt S2 -","- C29 H39 Cl F6 Ir P3 Pt S2 -","- C116 H156 Cl4 F24 Ir4 P12 Pt4 S8 -","4","1","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.71075","MoKα","","","0.0659","","","","0.1735","","","","","","1.053","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084153","11.9094","0.0012","16.5817","0.0016","16.6031","0.0016","108.638","0.004","107.622","0.004","94.55","0.004","2904.2","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H75 N O2 Zr -","- C59 H75 N O2 Zr -","- C118 H150 N2 O4 Zr2 -","2","1","","Gowda, Ravikumar R.; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.","Unusual C‒C Bond Cleavage in the Formation of Amine-Bis(phenoxy) Group 4 Benzyl Complexes: Mechanism of Formation and Application to Stereospecific Polymerization","Organometallics","2014","33","15","4118","","10.1021/om500661y","","","0.71073","MoKα","","0.073","0.0567","","","0.1504","0.1591","","","","","","1.077","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084154","9.5194","0.0003","13.6748","0.0005","20.054","0.0008","102.161","0.002","90.263","0.002","97.168","0.002","2530.74","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Fe N3 O3 P -","- C27 H30 Fe N3 O3 P -","- C108 H120 Fe4 N12 O12 P4 -","4","2","","Solařová, Hana; Císařová, Ivana; Štěpnička, Petr","Synthesis, Structural Characterization, and Catalytic Evaluation of Phosphinoferrocene Ligands Bearing Extended Urea-Amide Substituents","Organometallics","2014","33","15","4131","","10.1021/om5006758","","","0.71073","MoKα","","0.0808","0.0518","","","0.1177","0.1291","","","","","","1.031","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084155","9.6347","0.0002","10.8477","0.0003","14.0351","0.0004","67.752","0.001","71.279","0.001","75.829","0.001","1273.05","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Fe N3 O2 P -","- C28 H30 Fe N3 O2 P -","- C56 H60 Fe2 N6 O4 P2 -","2","1","","Solařová, Hana; Císařová, Ivana; Štěpnička, Petr","Synthesis, Structural Characterization, and Catalytic Evaluation of Phosphinoferrocene Ligands Bearing Extended Urea-Amide Substituents","Organometallics","2014","33","15","4131","","10.1021/om5006758","","","0.71073","MoKα","","0.0295","0.0263","","","0.0695","0.0716","","","","","","1.034","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084156","9.3319","0.0002","15.8296","0.0004","18.8286","0.0005","90","","93.145","0.001","90","","2777.18","0.12","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 Cl Fe N3 O2 P Pd -","- C29.006 H31 Cl Fe N3 O2 P Pd -","- C116.024 H124 Cl4 Fe4 N12 O8 P4 Pd4 -","4","1","","Solařová, Hana; Císařová, Ivana; Štěpnička, Petr","Synthesis, Structural Characterization, and Catalytic Evaluation of Phosphinoferrocene Ligands Bearing Extended Urea-Amide Substituents","Organometallics","2014","33","15","4131","","10.1021/om5006758","","","0.71073","MoKα","","0.0381","0.027","","","0.0598","0.0644","","","","","","1.033","","","","has coordinates,has disorder","204142","2020-10-21","18:00:00",""
"4084157","17.3101","0.0005","15.7135","0.0005","11.6402","0.0003","90","","102.895","0.001","90","","3086.31","0.16","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Cl Fe N3 O2 P Pd -","- C30.992 H35 Cl Fe N3 O2 P Pd -","- C123.968 H140 Cl4 Fe4 N12 O8 P4 Pd4 -","4","1","","Solařová, Hana; Císařová, Ivana; Štěpnička, Petr","Synthesis, Structural Characterization, and Catalytic Evaluation of Phosphinoferrocene Ligands Bearing Extended Urea-Amide Substituents","Organometallics","2014","33","15","4131","","10.1021/om5006758","","","0.71073","MoKα","","0.0306","0.0248","","","0.0612","0.0639","","","","","","1.051","","","","has coordinates,has disorder","178730","2020-10-21","18:00:00",""
"4084159","10.0035","0.0005","10.7671","0.0005","12.2831","0.0007","68.505","0.002","78.504","0.002","84.74","0.002","1206.03","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H25 Cl Fe N O P Pd -","- C26.009 H25 Cl Fe N O P Pd -","- C52.018 H50 Cl2 Fe2 N2 O2 P2 Pd2 -","2","1","","Solařová, Hana; Císařová, Ivana; Štěpnička, Petr","Synthesis, Structural Characterization, and Catalytic Evaluation of Phosphinoferrocene Ligands Bearing Extended Urea-Amide Substituents","Organometallics","2014","33","15","4131","","10.1021/om5006758","","","0.71073","MoKα","","0.0281","0.0226","","","0.0496","0.0518","","","","","","1.029","","","","has coordinates,has disorder","178730","2020-10-21","18:00:00",""
"4084160","10.8251","0.0003","35.6384","0.0009","9.8847","0.0003","90","","93.641","0.001","90","","3805.71","0.18","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H45 Cl Fe N3 O3.5 P Pd -","- C36 H39 Cl Fe N3 O2 P Pd -","- C144 H156 Cl4 Fe4 N12 O8 P4 Pd4 -","4","1","","Solařová, Hana; Císařová, Ivana; Štěpnička, Petr","Synthesis, Structural Characterization, and Catalytic Evaluation of Phosphinoferrocene Ligands Bearing Extended Urea-Amide Substituents","Organometallics","2014","33","15","4131","","10.1021/om5006758","","","0.71073","MoKα","","0.0537","0.0369","","","0.0742","0.0787","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084161","6.106","0.001","21.998","0.004","7.3653","0.0013","90","","90.25","0.008","90","","989.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 F O -","- C13 H9 F O -","- C52 H36 F4 O4 -","4","1","","Solařová, Hana; Císařová, Ivana; Štěpnička, Petr","Synthesis, Structural Characterization, and Catalytic Evaluation of Phosphinoferrocene Ligands Bearing Extended Urea-Amide Substituents","Organometallics","2014","33","15","4131","","10.1021/om5006758","","","0.71073","MoKα","","0.1203","0.0471","","","0.0996","0.1257","","","","","","0.969","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4084162","3.919","0.0002","23.0512","0.0011","11.5262","0.0005","90","","90.575","0.002","90","","1041.2","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4-nitrophenyl)phenylmethanone","","- C13 H9 N O3 -","- C13 H9 N O3 -","- C52 H36 N4 O12 -","4","1","","Solařová, Hana; Císařová, Ivana; Štěpnička, Petr","Synthesis, Structural Characterization, and Catalytic Evaluation of Phosphinoferrocene Ligands Bearing Extended Urea-Amide Substituents","Organometallics","2014","33","15","4131","","10.1021/om5006758","","","0.71073","MoKα","","0.0683","0.0445","","","0.097","0.1113","","","","","","1.021","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4084163","12.8221","0.0005","31.0744","0.0009","6.0751","0.0002","90","","90","","90","","2420.56","0.14","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C13 H8 N2 O5 -","- C13 H8 N2 O5 -","- C104 H64 N16 O40 -","8","0.5","","Solařová, Hana; Císařová, Ivana; Štěpnička, Petr","Synthesis, Structural Characterization, and Catalytic Evaluation of Phosphinoferrocene Ligands Bearing Extended Urea-Amide Substituents","Organometallics","2014","33","15","4131","","10.1021/om5006758","","","0.71073","MoKα","","0.033","0.0321","","","0.0833","0.0843","","","","","","1.074","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4084164","10.1368","0.0009","10.1368","0.0009","18.0925","0.0015","90","","90","","90","","1859.1","0.3","296","","296","","","","","","","","","5","P 41","P 4w","76","","","","- C16 H25 N O2 Sn -","- C16 H25 N O2 Sn -","- C64 H100 N4 O8 Sn4 -","4","1","","Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio","Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer","Organometallics","2014","33","15","3924","","10.1021/om500768e","","","0.71075","MoKα","","","0.0519","","","","0.0261","","","","","","1.433","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084165","10.14265","0.00018","24.4421","0.0005","36.6899","0.0007","90","","90","","90","","9095.7","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C400 H460 N20 O60 -","20","5","","Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio","Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer","Organometallics","2014","33","15","3924","","10.1021/om500768e","","","1.54187","CuKα","","","0.0866","","","","0.2861","","","","","","1.076","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084166","12.5649","0.0003","16.7437","0.0005","17.7868","0.0005","90","","91.3756","0.0016","90","","3740.96","0.18","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O3 -","- C20 H29 N O3 -","- C160 H232 N8 O24 -","8","4","","Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio","Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer","Organometallics","2014","33","15","3924","","10.1021/om500768e","","","1.54187","CuKα","","","0.0531","","","","0.0516","","","","","","0.801","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084167","13.9438","0.0002","19.1854","0.0003","9.21828","0.0001","90","","90","","90","","2466.05","0.06","123","","123","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H31 N O5 -","- C28 H31 N O4.5 -","- C112 H124 N4 O18 -","4","1","","Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio","Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer","Organometallics","2014","33","15","3924","","10.1021/om500768e","","","1.54187","CuKα","","","0.0417","","","","0.0478","","","","","","1.006","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084168","7.15581","0.00013","10.64801","0.00019","22.8418","0.0005","90","","90","","90","","1740.43","0.06","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio","Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer","Organometallics","2014","33","15","3924","","10.1021/om500768e","","","1.54187","CuKα","","","0.0342","","","","0.0871","","","","","","1.077","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084169","8.8953","0.0003","11.8609","0.0004","23.4715","0.0007","90","","90","","90","","2476.39","0.14","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O7 -","- C28 H24 N2 O7 -","- C112 H96 N8 O28 -","4","1","","Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio","Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer","Organometallics","2014","33","15","3924","","10.1021/om500768e","","","0.71075","MoKα","","","0.0319","","","","0.0418","","","","","","0.893","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084170","8.2251","0.0008","10.5174","0.0009","12.2518","0.0011","106.618","0.003","97.246","0.003","108.879","0.003","932.59","0.15","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 Br2 In N2 O2 -","- C17 H15 Br2 In N2 O2 -","- C34 H30 Br4 In2 N4 O4 -","2","1","","Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio","Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer","Organometallics","2014","33","15","3924","","10.1021/om500768e","","","0.71075","MoKα","","","0.0693","","","","0.0515","","","","","","1.371","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084171","10.0506","0.0004","10.0506","0.0004","17.8645","0.0008","90","","90","","90","","1804.57","0.13","123","","123","","","","","","","","","6","P 41","P 4w","76","","","","- C15 H22 Br N O2 Sn -","- C15 H22 Br N O2 Sn -","- C60 H88 Br4 N4 O8 Sn4 -","4","1","","Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio","Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer","Organometallics","2014","33","15","3924","","10.1021/om500768e","","","0.71075","MoKα","","","0.0335","","","","0.0463","","","","","","0.896","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084172","7.855","0.0006","8.4231","0.0007","15.5019","0.0015","99.83","0.003","95.706","0.003","115.083","0.002","898.17","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 B Cr Mn O4 -","- C19 H20 B Cr Mn O4 -","- C38 H40 B2 Cr2 Mn2 O8 -","2","1","","Braunschweig, Holger; Dewhurst, Rian D.; Kramer, Thomas; Siedler, Eva","A Simple Decarbonylative Route to Heterodinuclear Alkylborylene Complexes","Organometallics","2014","33","14","3877","","10.1021/om500596x","","","0.71073","MoKα","","0.043","0.0366","","","0.0951","0.0999","","","","","","1.049","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084173","7.3879","0.0006","17.8119","0.0015","12.6099","0.0011","90","","90.048","0.003","90","","1659.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 B Co Mn O3 -","- C17 H19 B Co Mn O3 -","- C68 H76 B4 Co4 Mn4 O12 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Kramer, Thomas; Siedler, Eva","A Simple Decarbonylative Route to Heterodinuclear Alkylborylene Complexes","Organometallics","2014","33","14","3877","","10.1021/om500596x","","","0.71073","MoKα","","0.0605","0.0481","","","0.1258","0.1368","","","","","","1.055","","","","has coordinates,has disorder","178730","2020-10-21","18:00:00",""
"4084174","18.116","0.0016","7.449","0.0006","13.0298","0.0012","90","","90","","90","","1758.3","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H21 B Co Mn O3 -","- C18 H21 B Co Mn O3 -","- C72 H84 B4 Co4 Mn4 O12 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Kramer, Thomas; Siedler, Eva","A Simple Decarbonylative Route to Heterodinuclear Alkylborylene Complexes","Organometallics","2014","33","14","3877","","10.1021/om500596x","","","0.71073","MoKα","","0.0603","0.0463","","","0.1111","0.1245","","","","","","1.043","","","","has coordinates,has disorder","178730","2020-10-21","18:00:00",""
"4084175","10.147","0.003","14.347","0.004","15.383","0.005","90","","93.387","0.012","90","","2235.5","1.2","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 Al B Cl4 N2 O2 -","- C17 H24 Al B Cl4 N2 O2 -","- C68 H96 Al4 B4 Cl16 N8 O8 -","4","1","","Do, Dinh Cao Huan; Muthaiah, Senthilkumar; Ganguly, Rakesh; Vidović, Dragoslav","Synthesis of N-Heterocyclic Carbene Stabilized Catecholatoborenium Cations by Ligand Substitution","Organometallics","2014","33","16","4165","","10.1021/om500434r","","","0.71073","MoKα","","0.0538","0.0381","","","0.0955","0.104","","","","","","1.063","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084176","14.132","0.0007","16.1975","0.0011","18.2062","0.001","90","","90","","90","","4167.5","0.4","103","2","103","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Al B Cl4 N2 O2 -","- C15 H20 Al B Cl4 N2 O2 -","- C120 H160 Al8 B8 Cl32 N16 O16 -","8","1","","Do, Dinh Cao Huan; Muthaiah, Senthilkumar; Ganguly, Rakesh; Vidović, Dragoslav","Synthesis of N-Heterocyclic Carbene Stabilized Catecholatoborenium Cations by Ligand Substitution","Organometallics","2014","33","16","4165","","10.1021/om500434r","","","0.71073","","","0.0636","0.036","","","0.087","0.1117","","","","","","1.094","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084177","13.8723","0.0007","19.0514","0.001","16.033","0.001","90","","95.265","0.002","90","","4219.4","0.4","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 B2 Cl8 N2 O2 -","- C41 H36 B2 Cl8 N2 O2 -","- C164 H144 B8 Cl32 N8 O8 -","4","1","","Do, Dinh Cao Huan; Muthaiah, Senthilkumar; Ganguly, Rakesh; Vidović, Dragoslav","Synthesis of N-Heterocyclic Carbene Stabilized Catecholatoborenium Cations by Ligand Substitution","Organometallics","2014","33","16","4165","","10.1021/om500434r","","","0.71073","MoKα","","0.0951","0.0518","","","0.1374","0.1829","","","","","","0.849","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084178","18.678","0.004","12.367","0.003","20.128","0.004","90","","110.545","0.003","90","","4353.7","1.7","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H38 As2 Cl2 N2 O Ru S -","- C49 H38 As2 Cl2 N2 O Ru S -","- C196 H152 As8 Cl8 N8 O4 Ru4 S4 -","4","1","","Sindhuja, Elangovan; Ramesh, Rengan; Balaji, Sundarraman; Liu, Yu","Direct Synthesis of Amides from Coupling of Alcohols and Amines Catalyzed by Ruthenium(II) Thiocarboxamide Complexes under Aerobic Conditions","Organometallics","2014","33","16","4269","","10.1021/om500556b","","","0.71073","MoKα","","0.0484","0.034","","","0.0789","0.0854","","","","","","1.039","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084179","25.76","0.005","9.893","0.002","35.565","0.007","90","","107.82","0.03","90","","8629","3","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C49 H38 As2 Br Cl N2 O Ru S -","- C49 H38 As2 Br Cl N2 O Ru S -","- C392 H304 As16 Br8 Cl8 N16 O8 Ru8 S8 -","8","1","","Sindhuja, Elangovan; Ramesh, Rengan; Balaji, Sundarraman; Liu, Yu","Direct Synthesis of Amides from Coupling of Alcohols and Amines Catalyzed by Ruthenium(II) Thiocarboxamide Complexes under Aerobic Conditions","Organometallics","2014","33","16","4269","","10.1021/om500556b","","","1.5418","CuKα","","0.0575","0.0426","","","0.1078","0.1193","","","","","","1.037","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084180","13.018","0.003","20.722","0.004","17.252","0.004","90","","109.05","0.03","90","","4399","1.8","273","2","273","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H41 As2 Cl N2 O Ru S -","- C50 H41 As2 Cl N2 O Ru S -","- C200 H164 As8 Cl4 N8 O4 Ru4 S4 -","4","1","","Sindhuja, Elangovan; Ramesh, Rengan; Balaji, Sundarraman; Liu, Yu","Direct Synthesis of Amides from Coupling of Alcohols and Amines Catalyzed by Ruthenium(II) Thiocarboxamide Complexes under Aerobic Conditions","Organometallics","2014","33","16","4269","","10.1021/om500556b","","","0.71073","MoKα","","0.0438","0.0308","","","0.0732","0.0788","","","","","","1.024","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084181","10.058","0.002","42.117","0.008","11.34","0.002","90","","106.24","0.03","90","","4612.1","1.7","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H45 As2 Cl N2 O Ru S -","- C52 H45 As2 Cl0.194 N2 O Ru S -","- C208 H180 As8 Cl0.776 N8 O4 Ru4 S4 -","4","1","","Sindhuja, Elangovan; Ramesh, Rengan; Balaji, Sundarraman; Liu, Yu","Direct Synthesis of Amides from Coupling of Alcohols and Amines Catalyzed by Ruthenium(II) Thiocarboxamide Complexes under Aerobic Conditions","Organometallics","2014","33","16","4269","","10.1021/om500556b","","","0.71073","MoKα","","0.05","0.0379","","","0.0878","0.0971","","","","","","1.194","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084182","18.0358","0.0015","16.2791","0.0014","21.4861","0.0018","90","","104.902","0.004","90","","6096.3","0.9","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C75 H75 O2 Ta -","- C75 H75 O2 Ta -","- C300 H300 O8 Ta4 -","4","1","","Searles, Keith; Pinter, Balazs; Chen, Chun-Hsing; Mindiola, Daniel J.","A Tantalum Methylidene Complex Supported by a Robust and Sterically Encumbering Aryloxide Ligand","Organometallics","2014","33","16","4192","","10.1021/om500197k","","","0.71073","MoKα","","0.0287","0.0218","","0.0585","0.0541","0.0585","","","","","","0.9895","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084183","13.675","0.0006","14.8898","0.0007","15.4591","0.0007","86.195","0.002","72.982","0.002","81.442","0.002","2975.5","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H69 Cl2 O2 Ta -","- C73 H69 Cl2 O2 Ta -","- C146 H138 Cl4 O4 Ta2 -","2","1","","Searles, Keith; Pinter, Balazs; Chen, Chun-Hsing; Mindiola, Daniel J.","A Tantalum Methylidene Complex Supported by a Robust and Sterically Encumbering Aryloxide Ligand","Organometallics","2014","33","16","4192","","10.1021/om500197k","","","0.71073","MoKα","","0.0258","0.0214","","0.0483","0.0471","0.0483","","","","","","0.9949","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084184","18.9466","0.0008","21.6378","0.001","19.8521","0.0009","90","","95.998","0.001","90","","8094.1","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H97 Cl O2 P Ta -","- C97 H97 Cl O2 P Ta -","- C388 H388 Cl4 O8 P4 Ta4 -","4","1","","Searles, Keith; Pinter, Balazs; Chen, Chun-Hsing; Mindiola, Daniel J.","A Tantalum Methylidene Complex Supported by a Robust and Sterically Encumbering Aryloxide Ligand","Organometallics","2014","33","16","4192","","10.1021/om500197k","","","0.41328","Synchrotron","","0.1086","0.051","","0.1094","0.0884","0.1094","","","","","","1.0032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084185","6.4997","0.0002","12.9246","0.0004","12.0586","0.0004","90","","105.5","0.002","90","","976.15","0.05","100","","100","","","","","","","","toluene","4","P 1 21/m 1","-P 2yb","11","","","","- C20 H38 B2 S2 -","- C20 H38 B2 S2 -","- C40 H76 B4 S4 -","2","0.5","","Seidel, Günter; Fürstner, Alois","A Novel Boron Heterocycle Comprised of an Inner Boronium/Borate Adduct","Organometallics","2014","33","16","4336","","10.1021/om500619x","","","0.71073","MoKα","","0.0414","0.0361","","","0.1008","0.1055","","","","","","0.805","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084186","8.6832","0.0006","8.6832","0.0006","27.1984","0.0013","90","","90","","90","","2050.7","0.2","100","","100","","","","","","","","toluene","4","P 43 21 2","P 4nw 2abw","96","","","","- C20 H38 B2 S2 -","- C20 H38 B2 S2 -","- C80 H152 B8 S8 -","4","0.5","","Seidel, Günter; Fürstner, Alois","A Novel Boron Heterocycle Comprised of an Inner Boronium/Borate Adduct","Organometallics","2014","33","16","4336","","10.1021/om500619x","","","0.71073","MoKα","","0.1225","0.068","","","0.1475","0.1701","","","","","","1.032","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084187","9.5262","0.0001","14.5164","0.0002","14.6365","0.0002","90","","92.999","0.001","90","","2021.25","0.04","100","","100","","","","","","","","THF/pentane","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H38 B Li N2 O S -","- C17 H38 B Li N2 O S -","- C68 H152 B4 Li4 N8 O4 S4 -","4","1","","Seidel, Günter; Fürstner, Alois","A Novel Boron Heterocycle Comprised of an Inner Boronium/Borate Adduct","Organometallics","2014","33","16","4336","","10.1021/om500619x","","","0.71073","MoKα","","0.0369","0.0309","","","0.0841","0.0881","","","","","","1.017","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084188","9.8794","0.0002","7.2063","0.0001","22.4039","0.0004","90","","97.193","0.001","90","","1582.47","0.05","100","","100","","","","","","","","dichloromethane/pentane","6","P 1 21/n 1","-P 2yn","14","","iodo-(dimethylsulfoniomethyl)-acetonitrile-10-borabicyclo(3.3.1)nonane","","- C13 H25 B I N S -","- C13 H25 B I N S -","- C52 H100 B4 I4 N4 S4 -","4","1","","Seidel, Günter; Fürstner, Alois","A Novel Boron Heterocycle Comprised of an Inner Boronium/Borate Adduct","Organometallics","2014","33","16","4336","","10.1021/om500619x","","","0.71073","MoKα","","0.04","0.0258","","","0.0551","0.058","","","","","","1.036","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084189","10.1404","0.0001","11.4032","0.0001","17.4502","0.0002","90","","102.659","0.001","90","","1968.77","0.04","100","","100","","","","","","","","CH2Cl2/pentane","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H25 B I3 N S -","- C13 H25 B I3 N S -","- C52 H100 B4 I12 N4 S4 -","4","1","","Seidel, Günter; Fürstner, Alois","A Novel Boron Heterocycle Comprised of an Inner Boronium/Borate Adduct","Organometallics","2014","33","16","4336","","10.1021/om500619x","","","0.71073","MoKα","","0.0331","0.0271","","","0.0632","0.066","","","","","","1.063","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084190","7.946","0.0002","18.1784","0.0004","12.8844","0.0003","90","","103.281","0.001","90","","1811.32","0.07","100","","100","","","","","","","","chloroform","7","P 1 21/n 1","-P 2yn","14","","(dimethylsulfoniomethyl)-acetonitrile-10-borabicyclo(3.3.1)nonane trifluoromethylsulfonate","","- C14 H25 B F3 N O3 S2 -","- C14 H25 B F3 N O3 S2 -","- C56 H100 B4 F12 N4 O12 S8 -","4","1","","Seidel, Günter; Fürstner, Alois","A Novel Boron Heterocycle Comprised of an Inner Boronium/Borate Adduct","Organometallics","2014","33","16","4336","","10.1021/om500619x","","","0.71073","MoKα","","0.0406","0.0322","","","0.0818","0.0863","","","","","","1.023","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084191","6.5292","0.0001","20.2262","0.0004","10.5467","0.0002","90","","90.399","0.001","90","","1392.77","0.04","100","","100","","","","","","","","Hexane","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 B I N -","- C14 H21 B I N -","- C56 H84 B4 I4 N4 -","4","1","","Seidel, Günter; Fürstner, Alois","A Novel Boron Heterocycle Comprised of an Inner Boronium/Borate Adduct","Organometallics","2014","33","16","4336","","10.1021/om500619x","","","0.71073","MoKα","","0.0369","0.03","","","0.0841","0.0889","","","","","","1.09","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084192","9.4599","0.0002","11.8122","0.0006","37.4511","0.0011","89.585","0.003","89.441","0.002","87.676","0.003","4181.1","0.3","106.4","0.5","106.4","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cl2 Fe2 N2 Pt -","- C22 H18 Cl2 Fe2 N2 Pt -","- C176 H144 Cl16 Fe16 N16 Pt8 -","8","4","","Strehler, Frank; Hildebrandt, Alexander; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich","From Ferrocenecarbonitriles to Ferrocenylimines: Synthesis, Structure, and Reaction Chemistry","Organometallics","2014","33","16","4279","","10.1021/om500597c","","","0.71073","MoKα","","0.1093","0.0945","","","0.2703","0.2795","","","","","","1.062","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084193","10.5159","0.0005","10.4311","0.0004","19.9899","0.0011","90","","103.956","0.005","90","","2128.01","0.18","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cl2 Fe2 N2 Pt -","- C22 H18 Cl2 Fe2 N2 Pt -","- C88 H72 Cl8 Fe8 N8 Pt4 -","4","0.5","","Strehler, Frank; Hildebrandt, Alexander; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich","From Ferrocenecarbonitriles to Ferrocenylimines: Synthesis, Structure, and Reaction Chemistry","Organometallics","2014","33","16","4279","","10.1021/om500597c","","","0.71073","MoKα","","0.0192","0.015","","","0.0351","0.0359","","","","","","1.047","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084194","5.9712","0.0003","8.2149","0.0004","20.9305","0.0011","90","","97.979","0.005","90","","1016.76","0.09","103.55","0.1","103.55","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl2 Fe2 N2 Pt -","- C22 H18 Cl2 Fe2 N2 Pt -","- C44 H36 Cl4 Fe4 N4 Pt2 -","2","0.5","","Strehler, Frank; Hildebrandt, Alexander; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich","From Ferrocenecarbonitriles to Ferrocenylimines: Synthesis, Structure, and Reaction Chemistry","Organometallics","2014","33","16","4279","","10.1021/om500597c","","","0.71073","MoKα","","0.0345","0.0334","","","0.0744","0.0749","","","","","","1.225","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084195","9.8536","0.0006","10.5344","0.0005","11.093","0.0006","91.905","0.004","99.298","0.005","108.556","0.005","1072.85","0.11","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H56 Fe4 N2 Pt -","- C54 H56 Fe4 N2 Pt -","- C54 H56 Fe4 N2 Pt -","1","0.5","","Strehler, Frank; Hildebrandt, Alexander; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich","From Ferrocenecarbonitriles to Ferrocenylimines: Synthesis, Structure, and Reaction Chemistry","Organometallics","2014","33","16","4279","","10.1021/om500597c","","","0.71073","MoKα","","0.0338","0.0311","","","0.0682","0.0699","","","","","","1.029","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084196","5.915","0.0002","15.6909","0.0006","13.4775","0.0005","90","","92.48","0.003","90","","1249.7","0.08","110","0.1","110","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Fe O -","- C15 H18 Fe O -","- C60 H72 Fe4 O4 -","4","1","","Strehler, Frank; Hildebrandt, Alexander; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich","From Ferrocenecarbonitriles to Ferrocenylimines: Synthesis, Structure, and Reaction Chemistry","Organometallics","2014","33","16","4279","","10.1021/om500597c","","","0.71073","MoKα","","0.041","0.0332","","","0.0732","0.0768","","","","","","1.063","","","","has coordinates,has disorder","178730","2020-10-21","18:00:00",""
"4084197","6.7504","0.0004","11.597","0.0009","12.8888","0.0014","63.386","0.009","75.767","0.007","81.754","0.006","873.75","0.15","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 N2 O -","- C20 H28 N2 O -","- C40 H56 N4 O2 -","2","1","","Chiou, Wen-Hua; Wang, Yu-Wei; Kao, Chien-Lun; Chen, Po-Chou; Wu, Chen-Chang","Rhodium-Catalyzed Hydrocarbonylation of a Homoallylamine via N‒H Activation and Application for Synthesis of Yohimbane Alkaloids","Organometallics","2014","33","16","4240","","10.1021/om500498u","","x-ray","0.71073","MoKα","","0.06","0.0407","","","0.0969","0.1009","","","","","","0.94","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084198","10.5975","0.0004","11.3475","0.0004","14.5752","0.0005","73.5805","0.0015","80.4996","0.0015","68.8731","0.0015","1564.34","0.1","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 O10 P2 W2 -","- C30 H20 O10 P2 W2 -","- C60 H40 O20 P4 W4 -","2","1","","Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","Modifying the Chemistry of the Phosphole Dienic System by α-Vinylation","Organometallics","2014","33","16","4245","","10.1021/om500526u","","","0.71073","","","0.0372","0.0262","","","0.0521","0.0632","","","","","","1.08","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084199","9.346","0.0007","9.0127","0.0005","22.249","0.0014","90","","93.896","0.004","90","","1869.8","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 O5 P W -","- C19 H15 O5 P W -","- C76 H60 O20 P4 W4 -","4","1","","Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","Modifying the Chemistry of the Phosphole Dienic System by α-Vinylation","Organometallics","2014","33","16","4245","","10.1021/om500526u","","","0.71073","","","0.0733","0.0526","","","0.1199","0.1359","","","","","","1.227","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084200","7.8173","0.0017","12.915","0.003","19.645","0.004","90","","90","","90","","1983.4","0.7","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N O3 P -","- C24 H22 N O3 P -","- C96 H88 N4 O12 P4 -","4","1","","Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","Modifying the Chemistry of the Phosphole Dienic System by α-Vinylation","Organometallics","2014","33","16","4245","","10.1021/om500526u","","","0.71073","MoKα","","0.1816","0.0729","","","0.1004","0.1314","","","","","","0.963","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084201","9.3976","0.0009","10.0987","0.0011","14.5996","0.0013","108.019","0.005","101.382","0.005","91.405","0.005","1286.2","0.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 O12 P W -","- C25 H19 O12 P W -","- C50 H38 O24 P2 W2 -","2","1","","Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","Modifying the Chemistry of the Phosphole Dienic System by α-Vinylation","Organometallics","2014","33","16","4245","","10.1021/om500526u","","","0.71073","MoKα","","0.0985","0.0543","","","0.1153","0.1632","","","","","","1.041","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084202","7.8997","0.0002","13.3814","0.0004","13.989","0.0004","66.3596","0.0016","89.6223","0.0016","74.1012","0.0016","1293.87","0.07","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 O9 P W -","- C25 H21 O9 P W -","- C50 H42 O18 P2 W2 -","2","1","","Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","Modifying the Chemistry of the Phosphole Dienic System by α-Vinylation","Organometallics","2014","33","16","4245","","10.1021/om500526u","","","0.71073","MoKα","","0.0409","0.0295","","","0.0596","0.0636","","","","","","1.056","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084203","10.6144","0.0001","37.5042","0.0004","9.899","0.0001","90","","96.579","0.001","90","","3914.69","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 N2 P2 Ru -","- C48 H46 N2 P2 Ru -","- C192 H184 N8 P8 Ru4 -","4","1","","Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.","Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes","Organometallics","2014","33","18","4911","","10.1021/om500172r","","","0.71073","MoKα","","0.0578","0.0441","","","0.092","0.0968","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084204","18.362","0.0002","14.8757","0.0002","23.7754","0.0003","90","","105.456","0.001","90","","6259.33","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H42 N2 P2 Ru -","- C53 H42 N2 P2 Ru -","- C318 H252 N12 P12 Ru6 -","6","3","","Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.","Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes","Organometallics","2014","33","18","4911","","10.1021/om500172r","","","1.54178","CuKα","","0.0745","0.0694","","","0.1688","0.1762","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084205","10.1365","0.0007","35.239","0.003","17.7838","0.0015","90","","95.27","0.007","90","","6325.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H67 Cl N2 P4 Ru -","- C76 H67 Cl N2 P4 Ru -","- C304 H268 Cl4 N8 P16 Ru4 -","4","1","","Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.","Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes","Organometallics","2014","33","18","4911","","10.1021/om500172r","","","1.54178","CuKα","","0.0832","0.0684","","","0.1586","0.166","","","","","","1.097","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084206","10.1542","0.0008","30.981","0.003","17.6653","0.0012","90","","95.988","0.008","90","","5527","0.8","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H51 Cl N2 P4 Ru -","- C62 H51 Cl N2 P4 Ru -","- C248 H204 Cl4 N8 P16 Ru4 -","4","1","","Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.","Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes","Organometallics","2014","33","18","4911","","10.1021/om500172r","","","1.54178","CuKα","","0.0972","0.0582","","","0.1314","0.1454","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4084207","13.582","0.005","13.773","0.005","15.307","0.006","114.681","0.003","109.232","0.004","91.551","0.004","2411","1.6","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C51.5 H46.5 Cl2.5 N2 O3 P2 Re Ru -","- C51.5 H46.5 Cl2.5 N2 O3 P2 Re Ru -","- C103 H93 Cl5 N4 O6 P4 Re2 Ru2 -","2","1","","Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.","Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes","Organometallics","2014","33","18","4911","","10.1021/om500172r","","x-ray","0.6889","Synchrotron","","0.042","0.0342","","","0.0995","0.1065","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084208","15.6207","0.0006","17.2466","0.0006","21.6952","0.0008","90","","104.688","0.001","90","","5653.8","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H51 Cl5 N2 P2 Ru2 -","- C60 H51 Cl5 N2 P2 Ru2 -","- C240 H204 Cl20 N8 P8 Ru8 -","4","1","","Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.","Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes","Organometallics","2014","33","18","4911","","10.1021/om500172r","","x-ray","0.71073","MoKα","K-L~3~","0.0811","0.0489","","","0.1162","0.1299","","","","","","1.066","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084209","11.1754","0.001","13.7333","0.001","17.7887","0.0014","79.346","0.006","88.646","0.007","82.748","0.007","2661.6","0.4","100","0.2","100","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C56.25 H42.5 Cl1.5 N2 O3 P2 Re Ru -","- C56.25 H42.5 Cl1.5 N2 O3 P2 Re Ru -","- C112.5 H85 Cl3 N4 O6 P4 Re2 Ru2 -","2","1","","Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.","Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes","Organometallics","2014","33","18","4911","","10.1021/om500172r","","","0.6889","synchrotron","","0.0694","0.0503","","","0.1349","0.1466","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084210","12.048","0.0003","12.0629","0.0003","24.1676","0.0007","93.967","0.002","91.555","0.002","93.113","0.002","3497.1","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C68.5 H58 Cl9 N2 O3 P4 Re Ru -","- C68.5 H58 Cl9 N2 O3 P4 Re Ru -","- C137 H116 Cl18 N4 O6 P8 Re2 Ru2 -","2","1","","Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.","Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes","Organometallics","2014","33","18","4911","","10.1021/om500172r","","","0.71073","MoKα","","0.0891","0.0684","","","0.1197","0.1261","","","","","","1.137","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4084211","8.2621","0.0003","10.9096","0.0003","10.9426","0.0004","81.959","0.003","78.691","0.003","71.564","0.003","914.32","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Cl N2 Ru -","- C23 H17 Cl N2 Ru -","- C46 H34 Cl2 N4 Ru2 -","2","1","","Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.","Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes","Organometallics","2014","33","18","4911","","10.1021/om500172r","","","0.71073","MoKα","","0.0337","0.0276","","","0.063","0.0657","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084212","6.5734","0.0002","19.1588","0.0007","29.6134","0.0015","90","","90","","90","","3729.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H12 Cl N2 O3 Re -","- C21 H12 Cl N2 O3 Re -","- C168 H96 Cl8 N16 O24 Re8 -","8","2","","Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.","Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes","Organometallics","2014","33","18","4911","","10.1021/om500172r","","","1.54178","CuKα","","0.0806","0.0604","","","0.1324","0.1487","","","","","","0.988","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084213","10.5244","0.0002","10.0443","0.0002","14.9307","0.0002","90","","107.597","0.002","90","","1504.47","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Cl N2 O3 Re -","- C15 H8 Cl N2 O3 Re -","- C60 H32 Cl4 N8 O12 Re4 -","4","1","","Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.","Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes","Organometallics","2014","33","18","4911","","10.1021/om500172r","","","0.71073","MoKα","","0.0489","0.0257","","","0.0487","0.0519","","","","","","0.788","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084214","5.9003","0.0002","38.311","0.0011","17.98","0.0005","90","","99.289","0.003","90","","4011","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H12 N2 -","- C18 H12 N2 -","- C216 H144 N24 -","12","3","","Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.","Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes","Organometallics","2014","33","18","4911","","10.1021/om500172r","","","0.71073","MoKα","","0.0555","0.0507","","","0.1256","0.1292","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084215","10.3949","0.0001","8.0639","0.0001","15.9581","0.0002","90","","101.552","0.001","90","","1310.57","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 Ru -","- C15 H13 Cl N2 Ru -","- C60 H52 Cl4 N8 Ru4 -","4","1","","Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.","Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes","Organometallics","2014","33","18","4911","","10.1021/om500172r","","","0.71073","MoKα","","0.0308","0.0275","","","0.0703","0.072","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084216","6.267","0.0006","9.1743","0.0009","15.1903","0.0014","90","","90","","90","","873.37","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Au(III)ONOCl","toste114","","- C7 H3 Au Cl N O4 -","- C7 H3 Au Cl N O4 -","- C28 H12 Au4 Cl4 N4 O16 -","4","1","","Johnson, Miles W.; DiPasquale, Antonio G.; Bergman, Robert G.; Toste, F. Dean","Synthesis of Stable Gold(III) Pincer Complexes with Anionic Heteroatom Donors.","Organometallics","2014","33","16","4169","4172","10.1021/om500663m","","","0.71073","MoKα","","0.0159","0.0152","","","0.0316","0.0318","","","","","","1.007","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4084217","14.3623","0.0009","11.9116","0.0008","17.6194","0.0011","90","","90","","90","","3014.3","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","MWJ-V-158","","","- C27 H29 Au Cl5 N3 O2 -","- C27 H29 Au Cl5 N3 O2 -","- C108 H116 Au4 Cl20 N12 O8 -","4","0.5","","Johnson, Miles W.; DiPasquale, Antonio G.; Bergman, Robert G.; Toste, F. Dean","Synthesis of Stable Gold(III) Pincer Complexes with Anionic Heteroatom Donors.","Organometallics","2014","33","16","4169","4172","10.1021/om500663m","","","0.71073","MoKα","","0.0313","0.0295","","","0.0666","0.0677","","","","","","1.064","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084218","8.5127","0.0006","21.2079","0.0015","20.6703","0.0015","90","","99.346","0.001","90","","3682.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MWJ-VII-121","toste115","","- C31 H37 Au Cl N3 S2 -","- C31 H37 Au Cl N3 S2 -","- C124 H148 Au4 Cl4 N12 S8 -","4","1","","Johnson, Miles W.; DiPasquale, Antonio G.; Bergman, Robert G.; Toste, F. Dean","Synthesis of Stable Gold(III) Pincer Complexes with Anionic Heteroatom Donors.","Organometallics","2014","33","16","4169","4172","10.1021/om500663m","","","0.71073","MoKα","","0.0479","0.0389","","","0.0898","0.0953","","","","","","1.114","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4084219","10.6673","0.0005","12.8317","0.0006","14.8811","0.0007","101.749","0.003","102.66","0.003","105.925","0.003","1834.05","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Au(III)Br","toste103","","- C31.9 H38.8 Au Br Cl1.8 N3 S2 -","- C31.9 H38.8 Au Br Cl1.8 N3 S2 -","- C63.8 H77.6 Au2 Br2 Cl3.6 N6 S4 -","2","1","","Johnson, Miles W.; DiPasquale, Antonio G.; Bergman, Robert G.; Toste, F. Dean","Synthesis of Stable Gold(III) Pincer Complexes with Anionic Heteroatom Donors.","Organometallics","2014","33","16","4169","4172","10.1021/om500663m","","","0.71073","MoKα","","0.0516","0.0393","","","0.0964","0.1029","","","","","","1.071","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4084220","10.751","0.0005","13.3542","0.0006","14.9418","0.0006","106.618","0.002","105.324","0.002","97.809","0.002","1929.94","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Au(III)OTMS","toste109","","- C34 H46 Au N3 O S2 Si -","- C34 H46 Au N3 O S2 Si -","- C68 H92 Au2 N6 O2 S4 Si2 -","2","1","","Johnson, Miles W.; DiPasquale, Antonio G.; Bergman, Robert G.; Toste, F. Dean","Synthesis of Stable Gold(III) Pincer Complexes with Anionic Heteroatom Donors.","Organometallics","2014","33","16","4169","4172","10.1021/om500663m","","","0.71073","MoKα","","0.0569","0.0389","","","0.0712","0.0769","","","","","","1.013","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4084221","14.9748","0.0013","20.5171","0.0019","17.0555","0.0014","90","","90.033","0.004","90","","5240.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Au(III)HMDS","toste104","","- C43 H67 Au N4 S2 Si2 -","- C43 H67 Au N4 S2 Si2 -","- C172 H268 Au4 N16 S8 Si8 -","4","1","","Johnson, Miles W.; DiPasquale, Antonio G.; Bergman, Robert G.; Toste, F. Dean","Synthesis of Stable Gold(III) Pincer Complexes with Anionic Heteroatom Donors.","Organometallics","2014","33","16","4169","4172","10.1021/om500663m","","","0.71073","MoKα","","0.0456","0.031","","","0.0769","0.0841","","","","","","1.095","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4084222","10.7766","0.0005","15.1685","0.0007","13.9203","0.0006","90","","95.421","0.001","90","","2265.3","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Au(III)dipp","toste116","","- C19 H23 Au Cl4 N2 O -","- C19 H23 Au Cl4 N2 O -","- C76 H92 Au4 Cl16 N8 O4 -","4","1","","Johnson, Miles W.; DiPasquale, Antonio G.; Bergman, Robert G.; Toste, F. Dean","Synthesis of Stable Gold(III) Pincer Complexes with Anionic Heteroatom Donors.","Organometallics","2014","33","16","4169","4172","10.1021/om500663m","","","0.71073","MoKα","","0.0302","0.0274","","","0.0652","0.0676","","","","","","1.048","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4084223","7.798","0.001","9.802","0.001","10.904","0.001","78.56","0.01","82.13","0.01","84.81","0.01","807.48","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H18 F N7 S Te -","- C10 H18 F N7 S Te -","- C20 H36 F2 N14 S2 Te2 -","2","1","","Semenov, Nikolay A.; Lonchakov, Anton V.; Pushkarevsky, Nikolay A.; Suturina, Elizaveta A.; Korolev, Valery V.; Lork, Enno; Vasiliev, Vladimir G.; Konchenko, Sergey N.; Beckmann, Jens; Gritsan, Nina P.; Zibarev, Andrey V.","Coordination of Halide and Chalcogenolate Anions to Heavier 1,2,5-Chalcogenadiazoles: Experiment and Theory","Organometallics","2014","33","16","4302","","10.1021/om5006403","","","0.71073","MoKα","","0.0312","0.0292","","","0.0745","0.0758","","","","","","1.077","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084224","9.4","0.002","26.632","0.005","10.55","0.002","90","","112.15","0.02","90","","2446.2","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 I K N4 O6 Te -","- C16 H24 I K N4 O6 Te -","- C64 H96 I4 K4 N16 O24 Te4 -","4","1","","Semenov, Nikolay A.; Lonchakov, Anton V.; Pushkarevsky, Nikolay A.; Suturina, Elizaveta A.; Korolev, Valery V.; Lork, Enno; Vasiliev, Vladimir G.; Konchenko, Sergey N.; Beckmann, Jens; Gritsan, Nina P.; Zibarev, Andrey V.","Coordination of Halide and Chalcogenolate Anions to Heavier 1,2,5-Chalcogenadiazoles: Experiment and Theory","Organometallics","2014","33","16","4302","","10.1021/om5006403","","","0.71073","MoKα","","0.094","0.0643","","","0.1679","0.1919","","","","","","1.038","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084225","11.997","0.001","20.45","0.004","13.255","0.002","90","","90.39","0.01","90","","3251.9","0.8","172","2","172","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 K N4 O7 S Te -","- C26 H37 K N4 O7 S Te -","- C104 H148 K4 N16 O28 S4 Te4 -","4","1","","Semenov, Nikolay A.; Lonchakov, Anton V.; Pushkarevsky, Nikolay A.; Suturina, Elizaveta A.; Korolev, Valery V.; Lork, Enno; Vasiliev, Vladimir G.; Konchenko, Sergey N.; Beckmann, Jens; Gritsan, Nina P.; Zibarev, Andrey V.","Coordination of Halide and Chalcogenolate Anions to Heavier 1,2,5-Chalcogenadiazoles: Experiment and Theory","Organometallics","2014","33","16","4302","","10.1021/om5006403","","","0.71073","MoKα","","0.0616","0.0406","","","0.0889","0.0967","","","","","","1.024","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084226","8.675","0.001","14.879","0.002","8.956","0.002","90","","107.73","0.01","90","","1101.1","0.3","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H29 K O6 Te -","- C18 H29 K O6 Te -","- C36 H58 K2 O12 Te2 -","2","1","","Semenov, Nikolay A.; Lonchakov, Anton V.; Pushkarevsky, Nikolay A.; Suturina, Elizaveta A.; Korolev, Valery V.; Lork, Enno; Vasiliev, Vladimir G.; Konchenko, Sergey N.; Beckmann, Jens; Gritsan, Nina P.; Zibarev, Andrey V.","Coordination of Halide and Chalcogenolate Anions to Heavier 1,2,5-Chalcogenadiazoles: Experiment and Theory","Organometallics","2014","33","16","4302","","10.1021/om5006403","","","0.71073","MoKα","","0.03","0.0283","","","0.0711","0.0721","","","","","","1.062","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084227","8.02","0.002","16.318","0.002","14.904","0.001","90","","92.03","0.02","90","","1949.3","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 K N O6 Te -","- C13 H24 K N O6 Te -","- C52 H96 K4 N4 O24 Te4 -","4","1","","Semenov, Nikolay A.; Lonchakov, Anton V.; Pushkarevsky, Nikolay A.; Suturina, Elizaveta A.; Korolev, Valery V.; Lork, Enno; Vasiliev, Vladimir G.; Konchenko, Sergey N.; Beckmann, Jens; Gritsan, Nina P.; Zibarev, Andrey V.","Coordination of Halide and Chalcogenolate Anions to Heavier 1,2,5-Chalcogenadiazoles: Experiment and Theory","Organometallics","2014","33","16","4302","","10.1021/om5006403","","","0.71073","MoKα","","0.0575","0.0409","","","0.0947","0.1023","","","","","","1.023","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084228","11.9415","0.001","12.4737","0.001","12.6011","0.001","78.754","0.001","68.371","0.001","80.19","0.001","1701.3","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H46 Au F6 N P Sb -","- C30 H46 Au F6 N P Sb -","- C60 H92 Au2 F12 N2 P2 Sb2 -","2","1","","Sriram, Madhavi; Zhu, Yuyang; Camp, Andrew M.; Day, Cynthia S.; Jones, Amanda C.","Structure and Dynamic Behavior of Phosphine Gold(I)-Coordinated Enamines: Characterization of α-Metalated Iminium Ions","Organometallics","2014","33","16","4157","","10.1021/om500670z","","","0.71073","MoKα","","0.0427","0.0322","","","0.0712","0.0756","","","","","","1.023","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084229","10.6156","0.0015","14.969","0.002","22.146","0.003","90","","90","","90","","3519.1","0.8","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 Au F6 N P Sb -","- C33 H46 Au F6 N P Sb -","- C132 H184 Au4 F24 N4 P4 Sb4 -","4","1","","Sriram, Madhavi; Zhu, Yuyang; Camp, Andrew M.; Day, Cynthia S.; Jones, Amanda C.","Structure and Dynamic Behavior of Phosphine Gold(I)-Coordinated Enamines: Characterization of α-Metalated Iminium Ions","Organometallics","2014","33","16","4157","","10.1021/om500670z","","","0.71073","MoKα","","0.0539","0.0393","","","0.0743","0.0799","","","","","","1.031","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084230","10.3295","0.0006","19.7638","0.0012","15.559","0.0009","90","","90.562","0.001","90","","3176.2","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Au F6 N P Sb -","- C30 H44 Au F6 N P Sb -","- C120 H176 Au4 F24 N4 P4 Sb4 -","4","1","","Sriram, Madhavi; Zhu, Yuyang; Camp, Andrew M.; Day, Cynthia S.; Jones, Amanda C.","Structure and Dynamic Behavior of Phosphine Gold(I)-Coordinated Enamines: Characterization of α-Metalated Iminium Ions","Organometallics","2014","33","16","4157","","10.1021/om500670z","","","0.71073","MoKα","","0.0435","0.0381","","","0.0915","0.0947","","","","","","1.046","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084231","9.8078","0.0008","22.0163","0.0017","14.043","0.0011","90","","91.812","0.001","90","","3030.8","0.4","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 Au F6 N2 P Sb -","- C26 H37 Au F6 N2 P Sb -","- C104 H148 Au4 F24 N8 P4 Sb4 -","4","1","","Sriram, Madhavi; Zhu, Yuyang; Camp, Andrew M.; Day, Cynthia S.; Jones, Amanda C.","Structure and Dynamic Behavior of Phosphine Gold(I)-Coordinated Enamines: Characterization of α-Metalated Iminium Ions","Organometallics","2014","33","16","4157","","10.1021/om500670z","","","0.71073","MoKα","","0.0747","0.0464","","","0.08","0.0893","","","","","","1.04","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084232","10.0128","0.0012","15.1649","0.0018","21.632","0.003","90","","98.314","0.001","90","","3250.1","0.7","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 Au F6 N P Sb -","- C31 H40 Au F6 N P Sb -","- C124 H160 Au4 F24 N4 P4 Sb4 -","4","1","","Sriram, Madhavi; Zhu, Yuyang; Camp, Andrew M.; Day, Cynthia S.; Jones, Amanda C.","Structure and Dynamic Behavior of Phosphine Gold(I)-Coordinated Enamines: Characterization of α-Metalated Iminium Ions","Organometallics","2014","33","16","4157","","10.1021/om500670z","","","0.71073","MoKα","","0.0406","0.031","","","0.0718","0.0766","","","","","","1.025","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084233","10.5073","0.0012","12.8755","0.0014","17.273","0.002","90","","107.541","0.002","90","","2228.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H30 Br2 N4 O2 Pd -","- C19 H30 Br2 N4 O2 Pd -","- C76 H120 Br8 N16 O8 Pd4 -","4","1","","Bernhammer, Jan C.; Singh, Harvenjit; Huynh, Han Vinh","Amine-Functionalized Indazolin-3-ylidene Complexes of Palladium(II) by Postmodification of a Single Precursor","Organometallics","2014","33","16","4295","","10.1021/om5006275","","","0.71073","MoKα","","0.0253","0.0225","","","0.0545","0.0556","","","","","","1.04","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084234","12.4203","0.0009","12.4948","0.0009","14.5961","0.0011","82.908","0.003","72.16","0.002","71.533","0.003","2044.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H52 Br3 Cl6 N4 Pd -","- C29 H52 Br3 Cl6 N4 Pd -","- C58 H104 Br6 Cl12 N8 Pd2 -","2","1","","Bernhammer, Jan C.; Singh, Harvenjit; Huynh, Han Vinh","Amine-Functionalized Indazolin-3-ylidene Complexes of Palladium(II) by Postmodification of a Single Precursor","Organometallics","2014","33","16","4295","","10.1021/om5006275","","","0.71073","MoKα","","0.0718","0.0513","","","0.1348","0.1477","","","","","","1.076","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084235","9.813","0.003","13.609","0.004","23.352","0.006","90","","96.238","0.006","90","","3100.1","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H50 Br2 N4 Pd -","- C27 H50 Br2 N4 Pd -","- C108 H200 Br8 N16 Pd4 -","4","1","","Bernhammer, Jan C.; Singh, Harvenjit; Huynh, Han Vinh","Amine-Functionalized Indazolin-3-ylidene Complexes of Palladium(II) by Postmodification of a Single Precursor","Organometallics","2014","33","16","4295","","10.1021/om5006275","","","0.71073","MoKα","","0.0717","0.0437","","","0.1064","0.1156","","","","","","1.064","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084236","13.0215","0.0004","15.5412","0.0004","26.2434","0.0006","105.34","0.002","91.571","0.002","113.16","0.002","4656.9","0.2","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C196 H184 Cl4 Fe4 N8 O0.75 P10 -","- C196 H184 Cl4 Fe4 N8 O0.748 P10 -","- C196 H184 Cl4 Fe4 N8 O0.748 P10 -","1","0.5","","Burgun, Alexandre; Ellis, Benjamin G.; Roisnel, Thierry; Skelton, Brian W.; Bruce, Michael I.; Lapinte, Claude","From Molecular Wires to Molecular Resistors: TCNE, a Class-III/Class-II Mixed-Valence Chemical Switch","Organometallics","2014","33","16","4209","","10.1021/om500483y","","x-ray","0.71073","MoKα","","0.0828","0.0516","","","0.1212","0.1337","","","","","","1.056","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084237","14.8635","0.0008","18.5242","0.001","25.6428","0.0013","90","","98.6","0.001","90","","6981","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H78 N4 P4 Ru2 -","- C84 H78 N4 P4 Ru2 -","- C336 H312 N16 P16 Ru8 -","4","1","","Burgun, Alexandre; Ellis, Benjamin G.; Roisnel, Thierry; Skelton, Brian W.; Bruce, Michael I.; Lapinte, Claude","From Molecular Wires to Molecular Resistors: TCNE, a Class-III/Class-II Mixed-Valence Chemical Switch","Organometallics","2014","33","16","4209","","10.1021/om500483y","","","0.71073","MoKα","","0.1018","0.0392","","","0.0693","0.0813","","","","","","0.872","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084238","15.3752","0.0007","15.6268","0.0008","30.2427","0.0013","90","","90","","90","","7266.3","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C85 H80 Cl2 Fe N4 P4 Ru -","- C85 H80 Cl2 Fe N4 P4 Ru -","- C340 H320 Cl8 Fe4 N16 P16 Ru4 -","4","1","","Burgun, Alexandre; Ellis, Benjamin G.; Roisnel, Thierry; Skelton, Brian W.; Bruce, Michael I.; Lapinte, Claude","From Molecular Wires to Molecular Resistors: TCNE, a Class-III/Class-II Mixed-Valence Chemical Switch","Organometallics","2014","33","16","4209","","10.1021/om500483y","","","1.54178","CuKα","","0.1151","0.0644","","","0.1439","0.1728","","","","","","1.135","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084239","18.1725","0.0006","22.696","0.0007","19.1979","0.0005","90","","102.53","0.003","90","","7729.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H78 Fe N9 P4 Ru -","- C92 H78 Fe N9 P4 Ru -","- C368 H312 Fe4 N36 P16 Ru4 -","4","1","","Burgun, Alexandre; Ellis, Benjamin G.; Roisnel, Thierry; Skelton, Brian W.; Bruce, Michael I.; Lapinte, Claude","From Molecular Wires to Molecular Resistors: TCNE, a Class-III/Class-II Mixed-Valence Chemical Switch","Organometallics","2014","33","16","4209","","10.1021/om500483y","","","1.54178","CuKα","","0.0937","0.0512","","","0.1157","0.1288","","","","","","0.902","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084240","14.882","0.002","10.3475","0.0015","18.878","0.003","90","","109.747","0.002","90","","2736.1","0.7","153","","153","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Fe2 N O5 P S -","- C30 H22 Fe2 N O5 P S -","- C120 H88 Fe8 N4 O20 P4 S4 -","4","1","","Hirotsu, Masakazu; Santo, Kiyokazu; Tsuboi, Chiaki; Kinoshita, Isamu","Diiron Carbonyl Complexes Bearing an N,C,S-Pincer Ligand: Reactivity toward Phosphines, Heterolytic Fe‒Fe Cleavage, and Electrocatalytic Proton Reduction","Organometallics","2014","33","16","4260","","10.1021/om500558h","","","0.710747","MoKα","","0.0433","0.0357","","","0.0838","0.0882","","","","","","1.038","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084241","13.6517","0.0012","13.3882","0.0011","14.5907","0.0012","90","","94.79","0.002","90","","2657.5","0.4","153","","153","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 Fe2 N O4 P S -","- C29 H22 Fe2 N O4 P S -","- C116 H88 Fe8 N4 O16 P4 S4 -","4","1","","Hirotsu, Masakazu; Santo, Kiyokazu; Tsuboi, Chiaki; Kinoshita, Isamu","Diiron Carbonyl Complexes Bearing an N,C,S-Pincer Ligand: Reactivity toward Phosphines, Heterolytic Fe‒Fe Cleavage, and Electrocatalytic Proton Reduction","Organometallics","2014","33","16","4260","","10.1021/om500558h","","","0.710747","MoKα","","0.0674","0.044","","","0.0839","0.0928","","","","","","1.08","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084242","10.1007","0.0004","10.7986","0.0007","15.3504","0.001","86.39","0.007","71.96","0.006","70.393","0.005","1498.13","0.17","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Fe N O P2 S -","- C34 H33 Fe N O P2 S -","- C68 H66 Fe2 N2 O2 P4 S2 -","2","1","","Hirotsu, Masakazu; Santo, Kiyokazu; Tsuboi, Chiaki; Kinoshita, Isamu","Diiron Carbonyl Complexes Bearing an N,C,S-Pincer Ligand: Reactivity toward Phosphines, Heterolytic Fe‒Fe Cleavage, and Electrocatalytic Proton Reduction","Organometallics","2014","33","16","4260","","10.1021/om500558h","","","0.710747","MoKα","","0.0488","0.036","","","0.0775","0.0842","","","","","","1.037","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084243","16.1004","0.0012","13.1729","0.0009","18.3841","0.0014","90","","106.263","0.002","90","","3743","0.5","193","","193","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H26 Cl4 Fe2 N2 O4 S2 -","- C40 H26 Cl4 Fe2 N2 O4 S2 -","- C160 H104 Cl16 Fe8 N8 O16 S8 -","4","1","","Hirotsu, Masakazu; Santo, Kiyokazu; Tsuboi, Chiaki; Kinoshita, Isamu","Diiron Carbonyl Complexes Bearing an N,C,S-Pincer Ligand: Reactivity toward Phosphines, Heterolytic Fe‒Fe Cleavage, and Electrocatalytic Proton Reduction","Organometallics","2014","33","16","4260","","10.1021/om500558h","","","0.710747","MoKα","","0.0675","0.0487","","","0.1206","0.1322","","","","","","1.065","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084244","8.598","0.002","11.434","0.003","13.384","0.004","84.8","0.009","77.444","0.007","73.074","0.008","1228.1","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H30 Cl Fe N3 Si -","- C25 H30 Cl Fe N3 Si -","- C50 H60 Cl2 Fe2 N6 Si2 -","2","1","","Li, Yiqun; de Kock, Carmen; Smith, Peter J.; Chibale, Kelly; Smith, Gregory S.","Synthesis and Evaluation of a Carbosilane Congener of Ferroquine and Its Corresponding Half-Sandwich Ruthenium and Rhodium Complexes for Antiplasmodial and β-Hematin Inhibition Activity","Organometallics","2014","33","17","4345","","10.1021/om500622p","","","0.71073","MoKα","","0.0655","0.0389","","","0.0824","0.0925","","","","","","1.031","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084245","7.865","0.008","16.99","0.018","15.781","0.019","90","","103.38","0.03","90","","2052","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[{Fe(CO)~3~}~2~(μ~2~-1,8-S~2~-2,7-dimethoxy-naph)]","","- C18 H10 Fe2 O8 S2 -","- C18 H10 Fe2 O8 S2 -","- C72 H40 Fe8 O32 S8 -","4","1","","Figliola, Carlotta; Male, Louise; Horton, Peter N.; Pitak, Mateusz B.; Coles, Simon J.; Horswell, Sarah L.; Grainger, Richard S.","[FeFe]-Hydrogenase Synthetic Mimics Based onPeri-Substituted Dichalcogenides","Organometallics","2014","33","17","4449","","10.1021/om500683p","","","0.71073","MoKα","","0.2107","0.138","","","0.3212","0.3706","","","","","","1.163","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084246","7.5339","0.0004","10.2894","0.0006","11.7529","0.0006","99.559","0.004","101.362","0.004","92.799","0.004","877.68","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","[{Fe(CO)~3~}~2~(μ~2~-1,8-Se~2~-naph)]","","- C16 H6 Fe2 O6 Se2 -","- C16 H6 Fe2 O6 Se2 -","- C32 H12 Fe4 O12 Se4 -","2","1","","Figliola, Carlotta; Male, Louise; Horton, Peter N.; Pitak, Mateusz B.; Coles, Simon J.; Horswell, Sarah L.; Grainger, Richard S.","[FeFe]-Hydrogenase Synthetic Mimics Based onPeri-Substituted Dichalcogenides","Organometallics","2014","33","17","4449","","10.1021/om500683p","","","1.5418","CuKα","","0.0387","0.0358","","","0.0933","0.0977","","","","","","1.064","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084247","7.4151","0.0005","17.8152","0.0013","18.9707","0.0013","90","","90.795","0.012","90","","2505.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[{Fe(CO)~3~}~2~(μ~2~-1,8-Se~2~-2,7-di-<i>tert</i>-butyl-naph)]","","- C24 H22 Fe2 O6 Se2 -","- C24 H22 Fe2 O6 Se2 -","- C96 H88 Fe8 O24 Se8 -","4","1","","Figliola, Carlotta; Male, Louise; Horton, Peter N.; Pitak, Mateusz B.; Coles, Simon J.; Horswell, Sarah L.; Grainger, Richard S.","[FeFe]-Hydrogenase Synthetic Mimics Based onPeri-Substituted Dichalcogenides","Organometallics","2014","33","17","4449","","10.1021/om500683p","","","0.71075","MoKα","","0.0876","0.0494","","","0.1065","0.1283","","","","","","1.037","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084248","7.9081","0.0005","12.2704","0.0011","12.3025","0.0007","93.216","0.006","99.886","0.005","97.232","0.006","1163","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","[{Fe(CO)~3~}~2~(μ~2~-1,8-Se~2~-2,7-dimethoxy-naph)]. dichloromethane.","","- C19 H12 Cl2 Fe2 O8 Se2 -","- C19 H12 Cl2 Fe2 O8 Se2 -","- C38 H24 Cl4 Fe4 O16 Se4 -","2","1","","Figliola, Carlotta; Male, Louise; Horton, Peter N.; Pitak, Mateusz B.; Coles, Simon J.; Horswell, Sarah L.; Grainger, Richard S.","[FeFe]-Hydrogenase Synthetic Mimics Based onPeri-Substituted Dichalcogenides","Organometallics","2014","33","17","4449","","10.1021/om500683p","","x-ray","0.71073","MoKα","","0.0755","0.0643","","","0.1674","0.1745","","","","","","1.133","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084249","7.5023","0.0004","10.2906","0.0007","11.6461","0.0006","99.672","0.005","100.494","0.005","91.992","0.005","869.53","0.09","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","[{Fe(CO)~3~}~2~(μ~2~-1,8-SeS-naph)]","","- C16 H6 Fe2 O6 S Se -","- C16 H6 Fe2 O6 S Se -","- C32 H12 Fe4 O12 S2 Se2 -","2","1","","Figliola, Carlotta; Male, Louise; Horton, Peter N.; Pitak, Mateusz B.; Coles, Simon J.; Horswell, Sarah L.; Grainger, Richard S.","[FeFe]-Hydrogenase Synthetic Mimics Based onPeri-Substituted Dichalcogenides","Organometallics","2014","33","17","4449","","10.1021/om500683p","","","1.5418","CuKα","","0.0539","0.0445","","","0.1129","0.1215","","","","","","1.071","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084250","7.4178","0.0005","14.1007","0.001","24.3025","0.0017","79.877","0.008","87.581","0.009","87.026","0.009","2497.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[{Fe(CO)~3~}~2~(μ~2~-1,8-SeS-2,7-di-<i>tert</i>-butyl-naph)]","","- C24 H22 Fe2 O6 S Se -","- C24 H22 Fe2 O6 S Se -","- C96 H88 Fe8 O24 S4 Se4 -","4","2","","Figliola, Carlotta; Male, Louise; Horton, Peter N.; Pitak, Mateusz B.; Coles, Simon J.; Horswell, Sarah L.; Grainger, Richard S.","[FeFe]-Hydrogenase Synthetic Mimics Based onPeri-Substituted Dichalcogenides","Organometallics","2014","33","17","4449","","10.1021/om500683p","","","0.71073","MoKα","","0.1723","0.1","","","0.2357","0.2862","","","","","","1.099","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084251","7.718","0.003","18.033","0.008","28.234","0.012","90","","97.057","0.007","90","","3900","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[{Fe(CO)~3~}~2~(μ~2~-1,10-S~2~-phenan)]","","- C20 H8 Fe2 O6 S2 -","- C20 H8 Fe2 O6 S2 -","- C160 H64 Fe16 O48 S16 -","8","2","","Figliola, Carlotta; Male, Louise; Horton, Peter N.; Pitak, Mateusz B.; Coles, Simon J.; Horswell, Sarah L.; Grainger, Richard S.","[FeFe]-Hydrogenase Synthetic Mimics Based onPeri-Substituted Dichalcogenides","Organometallics","2014","33","17","4449","","10.1021/om500683p","","","0.71073","MoKα","","0.1202","0.0903","","","0.1602","0.1743","","","","","","1.192","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084252","7.7365","0.0001","18.2484","0.0003","28.3551","0.0004","90","","97.198","0.002","90","","3971.59","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[{Fe(CO)~3~}~2~(μ~2~-1,10-Se~2~-phenan)]","","- C20 H8 Fe2 O6 Se2 -","- C20 H8 Fe2 O6 Se2 -","- C160 H64 Fe16 O48 Se16 -","8","2","","Figliola, Carlotta; Male, Louise; Horton, Peter N.; Pitak, Mateusz B.; Coles, Simon J.; Horswell, Sarah L.; Grainger, Richard S.","[FeFe]-Hydrogenase Synthetic Mimics Based onPeri-Substituted Dichalcogenides","Organometallics","2014","33","17","4449","","10.1021/om500683p","","","1.5418","CuKα","","0.0475","0.0388","","","0.0948","0.1","","","","","","1.044","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084253","8.155","0.014","11.71","0.02","12.2","0.02","100.62","0.16","101.14","0.12","108.74","0.12","1044","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[{Fe(CO)~3~}~2~(μ~2~-1,8-Se~2~-2,7-dimethoxy-naph)]","","- C18 H10 Fe2 O8 Se2 -","- C18 H10 Fe2 O8 Se2 -","- C36 H20 Fe4 O16 Se4 -","2","1","","Figliola, Carlotta; Male, Louise; Horton, Peter N.; Pitak, Mateusz B.; Coles, Simon J.; Horswell, Sarah L.; Grainger, Richard S.","[FeFe]-Hydrogenase Synthetic Mimics Based onPeri-Substituted Dichalcogenides","Organometallics","2014","33","17","4449","","10.1021/om500683p","","","0.71073","MoKα","","0.2346","0.196","","","0.5327","0.5476","","","","","","1.859","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084254","8.2528","0.0004","7.8014","0.0004","17.2473","0.0012","90","","96.989","0.007","90","","1102.19","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,8-dimethoxynaphtho[1,8-cd][1,2]diselenole","","- C12 H10 O2 Se2 -","- C12 H10 O2 Se2 -","- C48 H40 O8 Se8 -","4","1","","Figliola, Carlotta; Male, Louise; Horton, Peter N.; Pitak, Mateusz B.; Coles, Simon J.; Horswell, Sarah L.; Grainger, Richard S.","[FeFe]-Hydrogenase Synthetic Mimics Based onPeri-Substituted Dichalcogenides","Organometallics","2014","33","17","4449","","10.1021/om500683p","","","0.71075","MoKα","","0.0251","0.022","","","0.0556","0.0567","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084255","11.959","0.005","11.908","0.006","11.221","0.004","90","","90","","90","","1598","1.2","100","2","100","","","","","","","","","4","P c c a","-P 2a 2ac","54","","3,8-di-tert-butylnaphtho[1,8-cd][1,2]thiaselenole","","- C18 H22 S Se -","- C18 H22 S Se -","- C72 H88 S4 Se4 -","4","0.5","","Figliola, Carlotta; Male, Louise; Horton, Peter N.; Pitak, Mateusz B.; Coles, Simon J.; Horswell, Sarah L.; Grainger, Richard S.","[FeFe]-Hydrogenase Synthetic Mimics Based onPeri-Substituted Dichalcogenides","Organometallics","2014","33","17","4449","","10.1021/om500683p","","","0.71075","MoKα","","0.0499","0.0483","","","0.0917","0.0923","","","","","","1.208","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084256","13.163","0.0013","13.163","0.0013","8.3583","0.0012","90","","90","","90","","1448.2","0.3","298","2","298","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C32 H36 O4 Ru -","- C32 H36 O4 Ru -","- C64 H72 O8 Ru2 -","2","0.25","","So, Shiu-Chun; Cheung, Wai-Man; Wang, Guo-Cang; Kwan Huang, Enrique; Lau, Man-Kit; Zhang, Qian-Feng; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Migratory Insertion and Reductive Coupling of Tetraarylruthenium(IV) Complexes","Organometallics","2014","33","17","4497","","10.1021/om500707e","","","0.71073","MoKα","","0.0493","0.0383","","","0.0922","0.0974","","","","","","1.038","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084257","10.64068","0.00016","13.8089","0.0002","20.4693","0.0003","90","","90","","90","","3007.68","0.08","99.98","0.1","99.98","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 B F4 O4 Ru -","- C32 H36 B F4 O4 Ru -","- C128 H144 B4 F16 O16 Ru4 -","4","1","","So, Shiu-Chun; Cheung, Wai-Man; Wang, Guo-Cang; Kwan Huang, Enrique; Lau, Man-Kit; Zhang, Qian-Feng; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Migratory Insertion and Reductive Coupling of Tetraarylruthenium(IV) Complexes","Organometallics","2014","33","17","4497","","10.1021/om500707e","","x-ray","1.5418","CuKα","","0.025","0.0238","","","0.0586","0.0593","","","","","","1.002","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084258","13.3897","0.0004","8.3986","0.0002","15.2805","0.0004","90","","106.714","0.003","90","","1645.77","0.08","99.93","0.17","99.93","0.17","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl4 O4 Ru2 -","- C32 H36 Cl4 O4 Ru2 -","- C64 H72 Cl8 O8 Ru4 -","2","0.5","","So, Shiu-Chun; Cheung, Wai-Man; Wang, Guo-Cang; Kwan Huang, Enrique; Lau, Man-Kit; Zhang, Qian-Feng; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Migratory Insertion and Reductive Coupling of Tetraarylruthenium(IV) Complexes","Organometallics","2014","33","17","4497","","10.1021/om500707e","","x-ray","1.5418","CuKα","","0.0374","0.0346","","","0.0922","0.0946","","","","","","1.001","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084259","15.767","0.0002","22.378","0.0002","25.0486","0.0003","90","","103.748","0.001","90","","8584.79","0.17","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70.5 H89 Cl N16 O21 Ru4 -","- C70.45 H72 Cl N16 O21 Ru4 -","- C281.8 H288 Cl4 N64 O84 Ru16 -","4","1","","So, Shiu-Chun; Cheung, Wai-Man; Wang, Guo-Cang; Kwan Huang, Enrique; Lau, Man-Kit; Zhang, Qian-Feng; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Migratory Insertion and Reductive Coupling of Tetraarylruthenium(IV) Complexes","Organometallics","2014","33","17","4497","","10.1021/om500707e","","x-ray","1.5418","CuKα","","0.0453","0.0378","","","0.0978","0.1025","","","","","","1.003","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084260","14.8581","0.0008","14.8581","0.0008","8.4799","0.0007","90","","90","","90","","1872","0.2","173","0.14","173","0.14","","","","","","","","5","I -4","I -4","82","","","","- C32.5 H33 Br4 Cl Ru -","- C32.52 H32 Br4 Cl0.96 Ru -","- C65.04 H64 Br8 Cl1.92 Ru2 -","2","0.25","","So, Shiu-Chun; Cheung, Wai-Man; Wang, Guo-Cang; Kwan Huang, Enrique; Lau, Man-Kit; Zhang, Qian-Feng; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Migratory Insertion and Reductive Coupling of Tetraarylruthenium(IV) Complexes","Organometallics","2014","33","17","4497","","10.1021/om500707e","","x-ray","1.5418","CuKα","","0.0337","0.033","","","0.0862","0.0873","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084261","27.7907","0.0016","19.4404","0.0013","20.2932","0.0011","90","","131.834","0.002","90","","8168.8","0.9","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H51 Cl N2 O3 Pt S -","- C37 H51 Cl N2 O3 Pt S -","- C296 H408 Cl8 N16 O24 Pt8 S8 -","8","1","","Borré, Etienne; Dahm, Georges; Aliprandi, Alessandro; Mauro, Matteo; Dagorne, Samuel; Bellemin-Laponnaz, Stéphane","Tridentate Complexes of Group 10 Bearing Bis-Aryloxide N-Heterocyclic Carbene Ligands: Synthesis, Structural, Spectroscopic, and Computational Characterization","Organometallics","2014","33","17","4374","","10.1021/om5003446","","","0.71073","MoKα","","0.1001","0.064","","","0.1799","0.1913","","","","","","1.113","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084262","28.922","0.003","11.319","0.0009","10.0851","0.0008","90","","94.904","0.002","90","","3289.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 N3 Ni O2 -","- C36 H47 N3 Ni O2 -","- C144 H188 N12 Ni4 O8 -","4","1","","Borré, Etienne; Dahm, Georges; Aliprandi, Alessandro; Mauro, Matteo; Dagorne, Samuel; Bellemin-Laponnaz, Stéphane","Tridentate Complexes of Group 10 Bearing Bis-Aryloxide N-Heterocyclic Carbene Ligands: Synthesis, Structural, Spectroscopic, and Computational Characterization","Organometallics","2014","33","17","4374","","10.1021/om5003446","","","0.71073","MoKα","","0.1389","0.0645","","","0.1367","0.1618","","","","","","0.997","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084263","18.5324","0.0003","9.9581","0.0001","28.9308","0.0004","90","","119.271","0.001","90","","4657.39","0.12","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H59 Cl2 N2 O2 P Pt -","- C50 H59 Cl2 N2 O2 P Pt -","- C200 H236 Cl8 N8 O8 P4 Pt4 -","4","1","","Borré, Etienne; Dahm, Georges; Aliprandi, Alessandro; Mauro, Matteo; Dagorne, Samuel; Bellemin-Laponnaz, Stéphane","Tridentate Complexes of Group 10 Bearing Bis-Aryloxide N-Heterocyclic Carbene Ligands: Synthesis, Structural, Spectroscopic, and Computational Characterization","Organometallics","2014","33","17","4374","","10.1021/om5003446","","","0.71073","MoKα","","0.0359","0.0274","","","0.072","0.0866","","","","","","1.168","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084264","11.0631","0.0004","11.8885","0.0005","11.2893","0.0005","90","","93.596","0.002","90","","1481.89","0.11","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Cl4 Cr2 N4 Zn2 -","- C22 H38 Cl4 Cr2 N4 Zn2 -","- C44 H76 Cl8 Cr4 N8 Zn4 -","2","0.5","","Gurnham, Joanna; Gambarotta, Sandro; Korobkov, Ilia; Jasinska-Walc, Lidia; Duchateau, Robbert","Chromium-Catalyzed CO2‒Epoxide Copolymerization","Organometallics","2014","33","17","4401","","10.1021/om5005644","","","0.71073","MoKα","","0.0173","0.0157","","","0.0449","0.0462","","","","","","1.003","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084265","15.4907","0.001","15.9467","0.001","22.5005","0.0015","90","","90","","90","","5558.2","0.6","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H37 Cr N6 -","- C27 H37 Cr N6 -","- C216 H296 Cr8 N48 -","8","1","","Gurnham, Joanna; Gambarotta, Sandro; Korobkov, Ilia; Jasinska-Walc, Lidia; Duchateau, Robbert","Chromium-Catalyzed CO2‒Epoxide Copolymerization","Organometallics","2014","33","17","4401","","10.1021/om5005644","","","0.71073","MoKα","","0.1226","0.0702","","","0.1649","0.1963","","","","","","1.03","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084266","8.1225","0.0004","12.0983","0.0006","12.2994","0.0005","62.611","0.003","78.758","0.003","73.791","0.003","1027.36","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 Cr N2 O4 -","- C19 H28 Cr N2 O4 -","- C38 H56 Cr2 N4 O8 -","2","1","","Gurnham, Joanna; Gambarotta, Sandro; Korobkov, Ilia; Jasinska-Walc, Lidia; Duchateau, Robbert","Chromium-Catalyzed CO2‒Epoxide Copolymerization","Organometallics","2014","33","17","4401","","10.1021/om5005644","","","0.71073","MoKα","","0.078","0.0515","","","0.128","0.1419","","","","","","1.02","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084267","9.1635","0.0017","9.2498","0.0016","20.21","0.004","90","","98.64","0.003","90","","1693.6","0.5","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N2 Rh -","- C20 H23 N2 Rh -","- C80 H92 N8 Rh4 -","4","1","","Nakai, Hidetaka; Jeong, Kihun; Matsumoto, Takahiro; Ogo, Seiji","Catalytic C‒F Bond Hydrogenolysis of Fluoroaromatics by [(η5-C5Me5)RhI(2,2′-bipyridine)]","Organometallics","2014","33","17","4349","","10.1021/om500647h","","","0.7107","MoKα","","","0.0364","","","","0.0846","","","","","","1.062","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084268","14.7596","0.0016","12.8986","0.0013","24.292","0.003","90","","97.5714","0.0012","90","","4584.3","0.9","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H53 B F5 N2 O Rh -","- C54 H53 B F5 N2 O Rh -","- C216 H212 B4 F20 N8 O4 Rh4 -","4","1","","Nakai, Hidetaka; Jeong, Kihun; Matsumoto, Takahiro; Ogo, Seiji","Catalytic C‒F Bond Hydrogenolysis of Fluoroaromatics by [(η5-C5Me5)RhI(2,2′-bipyridine)]","Organometallics","2014","33","17","4349","","10.1021/om500647h","","","0.7107","MoKα","","","0.0539","","","","0.1506","","","","","","1.066","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084269","10.8307","0.0018","16.635","0.002","14.746","0.002","90","","104.179","0.005","90","","2575.8","0.6","140","2","140","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H32 N2 -","- C33 H32 N2 -","- C132 H128 N8 -","4","1","","Gianopoulos, Christopher G.; Kirschbaum, Kristin; Mason, Mark R.","Mono- and Bimetallic Aluminum Alkyl, Aryl, and Hydride Complexes of a Bulky Dipyrromethene Ligand","Organometallics","2014","33","17","4503","","10.1021/om500730g","","","0.71073","MoKα","","0.0811","0.0642","","","0.1479","0.1563","","","","","","1.074","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084270","10.01","0.002","11.767","0.002","12.451","0.003","90","","90","","90","","1466.6","0.5","140","2","140","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C35 H37 Al N2 -","- C35 H37 Al N2 -","- C70 H74 Al2 N4 -","2","0.5","","Gianopoulos, Christopher G.; Kirschbaum, Kristin; Mason, Mark R.","Mono- and Bimetallic Aluminum Alkyl, Aryl, and Hydride Complexes of a Bulky Dipyrromethene Ligand","Organometallics","2014","33","17","4503","","10.1021/om500730g","","","0.71073","MoKα","","0.0442","0.038","","","0.0935","0.0969","","","","","","1.032","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084271","13.8122","0.0003","8.8939","0.0002","28.1603","0.0006","90","","94.571","0.001","90","","3448.33","0.13","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H49 Al N2 -","- C41 H49 Al N2 -","- C164 H196 Al4 N8 -","4","1","","Gianopoulos, Christopher G.; Kirschbaum, Kristin; Mason, Mark R.","Mono- and Bimetallic Aluminum Alkyl, Aryl, and Hydride Complexes of a Bulky Dipyrromethene Ligand","Organometallics","2014","33","17","4503","","10.1021/om500730g","","","0.71073","MoKα","","0.0662","0.0567","","","0.1474","0.1552","","","","","","1.046","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084272","11.245","0.003","18.746","0.004","17.492","0.004","90","","94.027","0.003","90","","3678.2","1.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Al N2 -","- C45 H41 Al N2 -","- C180 H164 Al4 N8 -","4","1","","Gianopoulos, Christopher G.; Kirschbaum, Kristin; Mason, Mark R.","Mono- and Bimetallic Aluminum Alkyl, Aryl, and Hydride Complexes of a Bulky Dipyrromethene Ligand","Organometallics","2014","33","17","4503","","10.1021/om500730g","","","0.71073","MoKα","","0.0503","0.0422","","","0.1105","0.1189","","","","","","1.025","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084273","11.0556","0.0001","17.8662","0.0004","14.0256","0.0002","90","","90","","90","","2770.36","0.08","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H33 Al N2 -","- C33 H33 Al N2 -","- C132 H132 Al4 N8 -","4","1","","Gianopoulos, Christopher G.; Kirschbaum, Kristin; Mason, Mark R.","Mono- and Bimetallic Aluminum Alkyl, Aryl, and Hydride Complexes of a Bulky Dipyrromethene Ligand","Organometallics","2014","33","17","4503","","10.1021/om500730g","","","1.54178","CuKα","","0.0285","0.028","","","0.0723","0.0732","","","","","","1.093","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084274","11.4137","0.0002","13.7788","0.0002","20.9666","0.0003","95.103","0.001","96.525","0.001","96.276","0.001","3239.16","0.09","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C76.5 H76 Al2 N4 O -","- C76.5 H76 Al2 N4 O -","- C153 H152 Al4 N8 O2 -","2","1","","Gianopoulos, Christopher G.; Kirschbaum, Kristin; Mason, Mark R.","Mono- and Bimetallic Aluminum Alkyl, Aryl, and Hydride Complexes of a Bulky Dipyrromethene Ligand","Organometallics","2014","33","17","4503","","10.1021/om500730g","","","1.54178","CuKα","","0.0578","0.0469","","","0.1249","0.1347","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084275","10.0661","0.0011","12.4647","0.0014","13.4615","0.0015","68.883","0.002","70.993","0.002","83.133","0.002","1489.7","0.3","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H42 N2 -","- C37 H42 N2 -","- C74 H84 N4 -","2","1","","Gianopoulos, Christopher G.; Kirschbaum, Kristin; Mason, Mark R.","Mono- and Bimetallic Aluminum Alkyl, Aryl, and Hydride Complexes of a Bulky Dipyrromethene Ligand","Organometallics","2014","33","17","4503","","10.1021/om500730g","","","0.71073","MoKα","","0.0771","0.0482","","","0.1166","0.1311","","","","","","1.023","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084276","11.1707","0.0006","15.8064","0.0009","16.0709","0.0009","97.518","0.005","97.034","0.005","94.07","0.005","2781.1","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H58 O15 P2 Sn W3 -","- C49.5 H58 O15 P2 Sn W3 -","- C99 H116 O30 P4 Sn2 W6 -","2","1","","Krabbe, Stefan; Wagner, Michael; Löw, Christian; Dietz, Christina; Schürmann, Markus; Hoffmann, Alexander; Herres-Pawlis, Sonja; Lutter, Michael; Jurkschat, Klaus","Syntheses and Molecular Structures of [RSn{W(CO)3Cp}2][W(CO)3Cp], [RSn{W(CO)3Cp}Cl2], and [RSn{W(CO)3Cp}Cr(CO)5] (R = [4-t-Bu-2,6-{P(O)(OR′)2}2C6H2], R′ = Et,i-Pr). Autoionization Induced by Intramolecular P═O→Sn Coordination","Organometallics","2014","33","17","4433","","10.1021/om500649d","","","0.71073","MoKα","","0.0798","0.0454","","","0.1066","0.1233","","","","","","0.813","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084277","11.4054","0.0014","16.747","0.003","17.288","0.003","101.709","0.009","109.122","0.011","106.124","0.011","2835.7","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 O16 P2 Sn W3 -","- C50 H62 O16 P2 Sn W3 -","- C100 H124 O32 P4 Sn2 W6 -","2","1","","Krabbe, Stefan; Wagner, Michael; Löw, Christian; Dietz, Christina; Schürmann, Markus; Hoffmann, Alexander; Herres-Pawlis, Sonja; Lutter, Michael; Jurkschat, Klaus","Syntheses and Molecular Structures of [RSn{W(CO)3Cp}2][W(CO)3Cp], [RSn{W(CO)3Cp}Cl2], and [RSn{W(CO)3Cp}Cr(CO)5] (R = [4-t-Bu-2,6-{P(O)(OR′)2}2C6H2], R′ = Et,i-Pr). Autoionization Induced by Intramolecular P═O→Sn Coordination","Organometallics","2014","33","17","4433","","10.1021/om500649d","","","0.71073","MoKα","","0.1358","0.0301","","","0.0557","0.0702","","","","","","0.424","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084278","9.9523","0.0006","11.4538","0.0006","17.9644","0.0008","74.394","0.004","83.061","0.004","70.916","0.005","1862.69","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H44 Cl2 O9 P2 Sn W -","- C30 H44 Cl2 O9 P2 Sn W -","- C60 H88 Cl4 O18 P4 Sn2 W2 -","2","1","","Krabbe, Stefan; Wagner, Michael; Löw, Christian; Dietz, Christina; Schürmann, Markus; Hoffmann, Alexander; Herres-Pawlis, Sonja; Lutter, Michael; Jurkschat, Klaus","Syntheses and Molecular Structures of [RSn{W(CO)3Cp}2][W(CO)3Cp], [RSn{W(CO)3Cp}Cl2], and [RSn{W(CO)3Cp}Cr(CO)5] (R = [4-t-Bu-2,6-{P(O)(OR′)2}2C6H2], R′ = Et,i-Pr). Autoionization Induced by Intramolecular P═O→Sn Coordination","Organometallics","2014","33","17","4433","","10.1021/om500649d","","","0.71073","MoKα","","0.0491","0.0297","","","0.0502","0.0517","","","","","","0.835","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084279","10.1285","0.0003","10.609","0.0003","20.5949","0.0006","76.506","0.002","80.402","0.002","61.598","0.002","1888.85","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H36 Cr O14 P2 Sn W -","- C31 H36 Cr O14 P2 Sn W -","- C62 H72 Cr2 O28 P4 Sn2 W2 -","2","1","","Krabbe, Stefan; Wagner, Michael; Löw, Christian; Dietz, Christina; Schürmann, Markus; Hoffmann, Alexander; Herres-Pawlis, Sonja; Lutter, Michael; Jurkschat, Klaus","Syntheses and Molecular Structures of [RSn{W(CO)3Cp}2][W(CO)3Cp], [RSn{W(CO)3Cp}Cl2], and [RSn{W(CO)3Cp}Cr(CO)5] (R = [4-t-Bu-2,6-{P(O)(OR′)2}2C6H2], R′ = Et,i-Pr). Autoionization Induced by Intramolecular P═O→Sn Coordination","Organometallics","2014","33","17","4433","","10.1021/om500649d","","","0.71073","MoKα","","0.0708","0.0362","","","0.0717","0.0765","","","","","","0.972","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084280","12.181","0.0007","12.1251","0.0007","16.8699","0.0011","90","","91.493","0.006","90","","2490.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","lithium tris(dimethoxyethane)tricarbonyl(cyclopentadienyl) tungstate","","- C20 H35 Li O9 W -","- C20 H35 Li O9 W -","- C80 H140 Li4 O36 W4 -","4","1","","Krabbe, Stefan; Wagner, Michael; Löw, Christian; Dietz, Christina; Schürmann, Markus; Hoffmann, Alexander; Herres-Pawlis, Sonja; Lutter, Michael; Jurkschat, Klaus","Syntheses and Molecular Structures of [RSn{W(CO)3Cp}2][W(CO)3Cp], [RSn{W(CO)3Cp}Cl2], and [RSn{W(CO)3Cp}Cr(CO)5] (R = [4-t-Bu-2,6-{P(O)(OR′)2}2C6H2], R′ = Et,i-Pr). Autoionization Induced by Intramolecular P═O→Sn Coordination","Organometallics","2014","33","17","4433","","10.1021/om500649d","","","0.71073","MoKα","","0.0382","0.0245","","","0.0498","0.0524","","","","","","1.111","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084281","10.11","0.002","10.205","0.002","18.067","0.004","84.68","0.03","89.2","0.03","74.64","0.03","1789.6","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H40 F6 Na O10 P S -","- C33 H40 F6 Na O10 P S -","- C66 H80 F12 Na2 O20 P2 S2 -","2","1","","Feng, Ge; Conley, Matthew P.; Jordan, Richard F.","Differentiation between Chelate Ring Inversion and Aryl Rotation in a CF3-Substituted Phosphine-Sulfonate Palladium Methyl Complex","Organometallics","2014","33","17","4486","","10.1021/om500699t","","","0.71073","MoKα","","0.1407","0.0619","","","0.094","0.1092","","","","","","0.738","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084282","14.726","0.003","11.552","0.003","16.122","0.004","90","","102.536","0.005","90","","2677.2","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 F12 O P2 -","- C28 H16 F12 O P2 -","- C112 H64 F48 O4 P8 -","4","1","","Feng, Ge; Conley, Matthew P.; Jordan, Richard F.","Differentiation between Chelate Ring Inversion and Aryl Rotation in a CF3-Substituted Phosphine-Sulfonate Palladium Methyl Complex","Organometallics","2014","33","17","4486","","10.1021/om500699t","","","0.71073","MoKα","","0.1013","0.0558","","","0.116","0.1277","","","","","","0.881","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084283","9.025","0.005","9.143","0.005","17.445","0.009","81.697","0.009","82.962","0.009","87.266","0.009","1413","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H26 F6 N O3 P Pd S -","- C29 H26 F6 N O3 P Pd S -","- C58 H52 F12 N2 O6 P2 Pd2 S2 -","2","1","","Feng, Ge; Conley, Matthew P.; Jordan, Richard F.","Differentiation between Chelate Ring Inversion and Aryl Rotation in a CF3-Substituted Phosphine-Sulfonate Palladium Methyl Complex","Organometallics","2014","33","17","4486","","10.1021/om500699t","","","0.71073","MoKα","","0.0705","0.0472","","","0.0916","0.0972","","","","","","0.918","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084284","11.412","0.003","16.226","0.005","19.195","0.004","90","","125.49","0.011","90","","2894","1.4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 F6 N O3 P Pd S -","- C28 H24 Cl2 F6 N O3 P Pd S -","- C112 H96 Cl8 F24 N4 O12 P4 Pd4 S4 -","4","1","","Feng, Ge; Conley, Matthew P.; Jordan, Richard F.","Differentiation between Chelate Ring Inversion and Aryl Rotation in a CF3-Substituted Phosphine-Sulfonate Palladium Methyl Complex","Organometallics","2014","33","17","4486","","10.1021/om500699t","","","0.71073","MoKα","","0.0709","0.0566","","","0.1579","0.1642","","","","","","1.065","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084285","13.5406","0.0003","13.1399","0.0009","8.8638","0.0002","90","","90","","90","","1577.07","0.12","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H20 Ir N O2 -","- C17 H20 Ir N O2 -","- C68 H80 Ir4 N4 O8 -","4","0.5","","Chen, Jeffrey; Campos, Jesús; Mercado, Brandon Q.; Crabtree, Robert H.; Balcells, David","Distortional Effects of Noncovalent Interactions in the Crystal Lattice of a Cp*Ir(III) Acylhydroxamic Acid Complex: A Joint Experimental‒Computational Study","Organometallics","2014","33","17","4417","","10.1021/om500625c","","","0.71073","MoKα","","0.0307","0.0293","","","0.0712","0.0719","","","","","","1.256","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084286","14.7898","0.0003","15.8754","0.0011","13.8691","0.0003","90","","90","","90","","3256.4","0.2","366","2","366","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H20 Ir N O3 -","- C17 H20 Ir N O3 -","- C136 H160 Ir8 N8 O24 -","8","1","","Chen, Jeffrey; Campos, Jesús; Mercado, Brandon Q.; Crabtree, Robert H.; Balcells, David","Distortional Effects of Noncovalent Interactions in the Crystal Lattice of a Cp*Ir(III) Acylhydroxamic Acid Complex: A Joint Experimental‒Computational Study","Organometallics","2014","33","17","4417","","10.1021/om500625c","","","1.54178","CuKα","","0.0298","0.0295","","","0.0733","0.0736","","","","","","1.146","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084287","8.3405","0.0002","14.2801","0.0003","13.9071","0.001","90","","91.577","0.007","90","","1655.75","0.13","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Ir N O3 S -","- C16 H20 Ir N O3 S -","- C64 H80 Ir4 N4 O12 S4 -","4","1","","Chen, Jeffrey; Campos, Jesús; Mercado, Brandon Q.; Crabtree, Robert H.; Balcells, David","Distortional Effects of Noncovalent Interactions in the Crystal Lattice of a Cp*Ir(III) Acylhydroxamic Acid Complex: A Joint Experimental‒Computational Study","Organometallics","2014","33","17","4417","","10.1021/om500625c","","","1.54187","CuKα","","0.0395","0.0388","","","0.1115","0.1124","","","","","","1.053","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084288","27.312","0.003","16.392","0.003","23.012","0.003","90","","125.993","0.015","90","","8336","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","sef1_95b","sef1_95b","","- C76 H92 Cl2 N8 P2 Ru2 -","- C76 H92 Cl2 N8 P2 Ru2 -","- C304 H368 Cl8 N32 P8 Ru8 -","4","0.5","","Flowers, Sarah E.; Cossairt, Brandi M.","Mono- and Dimetalation of a Tridentate Bisimidazole-Phosphine Ligand","Organometallics","2014","33","17","4341","","10.1021/om500592u","","","0.71073","MoKα","","0.1541","0.0742","","","0.156","0.1805","","","","","","0.969","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084289","16.1738","0.0018","13.9542","0.0015","17.0592","0.0018","90","","92.634","0.007","90","","3846.1","0.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","sef1_99a","sef1_99a","","- C42 H54.63 Cl N4 O P Ru -","- C42 H54.63 Cl N4 O P Ru -","- C168 H218.52 Cl4 N16 O4 P4 Ru4 -","4","2","","Flowers, Sarah E.; Cossairt, Brandi M.","Mono- and Dimetalation of a Tridentate Bisimidazole-Phosphine Ligand","Organometallics","2014","33","17","4341","","10.1021/om500592u","","","0.71073","MoKα","","0.1423","0.0876","","","0.1593","0.1764","","","","","","1.038","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084290","11.927","0.005","13.386","0.006","13.735","0.007","62.884","0.009","75.794","0.009","73.748","0.013","1855.9","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H52 Li N4 O P Ru -","- C42 H52 Li N4 O P Ru -","- C84 H104 Li2 N8 O2 P2 Ru2 -","2","1","","Flowers, Sarah E.; Cossairt, Brandi M.","Mono- and Dimetalation of a Tridentate Bisimidazole-Phosphine Ligand","Organometallics","2014","33","17","4341","","10.1021/om500592u","","","0.71073","MoKα","","0.2699","0.0894","","","0.1098","0.159","","","","","","0.923","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084291","7.9435","0.0004","13.7706","0.0007","19.1235","0.001","97.024","0.003","98.273","0.003","99.943","0.003","2015.63","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","sef1_140","sef1_140","","- C42 H50 Cl Fe N6 P Ru -","- C42 H50 Cl Fe N6 P Ru -","- C84 H100 Cl2 Fe2 N12 P2 Ru2 -","2","1","","Flowers, Sarah E.; Cossairt, Brandi M.","Mono- and Dimetalation of a Tridentate Bisimidazole-Phosphine Ligand","Organometallics","2014","33","17","4341","","10.1021/om500592u","","","0.71073","MoKα","","0.0467","0.036","","","0.0914","0.1031","","","","","","0.966","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084292","7.9318","0.0004","13.6965","0.0006","19.1742","0.0009","97.261","0.002","97.275","0.002","100.672","0.002","2006.4","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","sef1_139","","","- C42 H50 Cl Co N6 P Ru -","- C42 H50 Cl Co N6 P Ru -","- C84 H100 Cl2 Co2 N12 P2 Ru2 -","2","1","","Flowers, Sarah E.; Cossairt, Brandi M.","Mono- and Dimetalation of a Tridentate Bisimidazole-Phosphine Ligand","Organometallics","2014","33","17","4341","","10.1021/om500592u","","","0.71073","MoKα","","0.0449","0.0301","","","0.0668","0.0728","","","","","","1.035","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084293","11.6246","0.001","13.8692","0.0012","16.3569","0.0018","90","0.004","92.935","0.004","90","0.007","2633.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H70 Cl2 N2 Ni2 P2 -","- C48 H70 Cl2 N2 Ni2 P2 -","- C96 H140 Cl4 N4 Ni4 P4 -","2","0.5","","Chen, Ming-Tsz; Lee, Wei-Ying; Tsai, Tzung-Ling; Liang, Lan-Chang","Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Chelates: Kumada Couplings Kinetically Preferred to β-Hydrogen Elimination","Organometallics","2014","33","20","5852","","10.1021/om5006353","","","0.71073","MoKα","","0.2001","0.129","","","0.3135","0.25","","","","","","1.107","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084294","18.726","0.0003","21.582","0.0003","49.735","0.0008","90","","90","","90","","20100.1","0.5","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C65 H55 N2 Ni P2 -","- C65 H55 N2 Ni P2 -","- C1040 H880 N32 Ni16 P32 -","16","0.5","","Chen, Ming-Tsz; Lee, Wei-Ying; Tsai, Tzung-Ling; Liang, Lan-Chang","Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Chelates: Kumada Couplings Kinetically Preferred to β-Hydrogen Elimination","Organometallics","2014","33","20","5852","","10.1021/om5006353","","","0.71073","MoKα","","0.0702","0.0528","","","0.1431","0.1645","","","","","","1.136","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084295","10.5284","0.0001","16.6943","0.0003","14.5248","0.0002","90","","99.2","0.001","90","","2520.1","0.06","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H36 Cl N Ni P2 -","- C23 H36 Cl N Ni P2 -","- C92 H144 Cl4 N4 Ni4 P8 -","4","1","","Chen, Ming-Tsz; Lee, Wei-Ying; Tsai, Tzung-Ling; Liang, Lan-Chang","Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Chelates: Kumada Couplings Kinetically Preferred to β-Hydrogen Elimination","Organometallics","2014","33","20","5852","","10.1021/om5006353","","","0.71073","MoKα","","0.0604","0.0466","","","0.1176","0.1399","","","","","","1.188","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084296","9.363","0.0002","16.6234","0.0004","16.4997","0.0004","90","","105.419","0.001","90","","2475.66","0.1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 N Ni P2 -","- C24 H39 N Ni P2 -","- C96 H156 N4 Ni4 P8 -","4","1","","Chen, Ming-Tsz; Lee, Wei-Ying; Tsai, Tzung-Ling; Liang, Lan-Chang","Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Chelates: Kumada Couplings Kinetically Preferred to β-Hydrogen Elimination","Organometallics","2014","33","20","5852","","10.1021/om5006353","","","0.71073","MoKα","","0.0756","0.0536","","","0.1322","0.1566","","","","","","1.163","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084297","10.379","0.0002","13.714","0.0003","24.693","0.0007","90","","92.411","0.001","90","","3511.63","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 N Ni P2 Si -","- C37 H51 N Ni P2 Si -","- C148 H204 N4 Ni4 P8 Si4 -","4","1","","Chen, Ming-Tsz; Lee, Wei-Ying; Tsai, Tzung-Ling; Liang, Lan-Chang","Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Chelates: Kumada Couplings Kinetically Preferred to β-Hydrogen Elimination","Organometallics","2014","33","20","5852","","10.1021/om5006353","","","0.71073","MoKα","","0.0677","0.046","","","0.114","0.1422","","","","","","1.127","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084298","9.4028","0.0001","10.6684","0.0002","16.8569","0.0003","80.718","0.001","74.232","0.001","67.142","0.001","1496.57","0.04","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H47 N Ni P2 Si -","- C27 H47 N Ni P2 Si -","- C54 H94 N2 Ni2 P4 Si2 -","2","1","","Chen, Ming-Tsz; Lee, Wei-Ying; Tsai, Tzung-Ling; Liang, Lan-Chang","Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Chelates: Kumada Couplings Kinetically Preferred to β-Hydrogen Elimination","Organometallics","2014","33","20","5852","","10.1021/om5006353","","","0.71073","MoKα","","0.0611","0.0475","","","0.1258","0.1469","","","","","","1.229","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084299","16.8265","0.0002","9.4487","0.0004","17.6118","0.0005","90","0.001","90.567","0.001","90","0.001","2799.94","0.15","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C29 H41 N Ni P2 -","- C29 H41 N Ni P2 -","- C116 H164 N4 Ni4 P8 -","4","1","","Chen, Ming-Tsz; Lee, Wei-Ying; Tsai, Tzung-Ling; Liang, Lan-Chang","Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Chelates: Kumada Couplings Kinetically Preferred to β-Hydrogen Elimination","Organometallics","2014","33","20","5852","","10.1021/om5006353","","","0.71073","MoKα","","0.1157","0.0861","","","0.2265","0.2531","","","","","","1.209","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084300","29.8364","0.0006","8.916","0.0002","18.7494","0.0005","90","","105.144","0.001","90","","4814.5","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H37 N Ni P2 -","- C23 H37 N Ni P2 -","- C184 H296 N8 Ni8 P16 -","8","1","","Chen, Ming-Tsz; Lee, Wei-Ying; Tsai, Tzung-Ling; Liang, Lan-Chang","Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Chelates: Kumada Couplings Kinetically Preferred to β-Hydrogen Elimination","Organometallics","2014","33","20","5852","","10.1021/om5006353","","","0.71073","MoKα","","0.0604","0.0402","","","0.1071","0.1369","","","","","","1.183","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084301","12.0745","0.0002","16.9112","0.0003","18.0348","0.0003","90","","91.974","0.001","90","","3680.42","0.11","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H45 Cl2 N5 O2 P2 Pt -","- C34 H41 Cl2 N5 O2 P2 Pt -","- C136 H164 Cl8 N20 O8 P8 Pt4 -","4","0.5","","Blase, Verena; Flores-Figueroa, Aarón; Schulte to Brinke, Christian; Hahn, F. Ekkehardt","Template Synthesis of Tetracarbene Platinum(II) Complexes with Five- and Six-Membered-Ring N-Heterocyclic Carbenes","Organometallics","2014","33","17","4471","","10.1021/om5006947","","","0.71073","MoKα","","0.0227","0.019","","","0.044","0.0454","","","","","","1.066","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084302","7.9649","0.0005","21.5008","0.0013","9.9033","0.0006","90","","94.807","0.001","90","","1689.99","0.18","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 F12 N8 O2 P2 Pt -","- C20 H44 F12 N8 O2 P2 Pt -","- C40 H88 F24 N16 O4 P4 Pt2 -","2","0.5","","Blase, Verena; Flores-Figueroa, Aarón; Schulte to Brinke, Christian; Hahn, F. Ekkehardt","Template Synthesis of Tetracarbene Platinum(II) Complexes with Five- and Six-Membered-Ring N-Heterocyclic Carbenes","Organometallics","2014","33","17","4471","","10.1021/om5006947","","","0.71073","MoKα","","0.0387","0.0238","","","0.0505","0.0545","","","","","","1.044","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084303","16.0778","0.0013","7.789","0.0006","11.7322","0.0009","90","","110.553","0.001","90","","1375.7","0.19","153","2","153","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C16 H40 Cl F6 N8 O4 P Pt -","- C16 H20 Cl F6 N8 O4 P Pt -","- C32 H40 Cl2 F12 N16 O8 P2 Pt2 -","2","0.25","","Blase, Verena; Flores-Figueroa, Aarón; Schulte to Brinke, Christian; Hahn, F. Ekkehardt","Template Synthesis of Tetracarbene Platinum(II) Complexes with Five- and Six-Membered-Ring N-Heterocyclic Carbenes","Organometallics","2014","33","17","4471","","10.1021/om5006947","","","0.71073","MoKα","","0.0467","0.0425","","","0.1056","0.109","","","","","","1.131","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084304","21.4025","0.0011","16.2806","0.0008","15.3093","0.0009","90","","110.774","0.002","90","","4987.6","0.5","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H34 Cl Ir N2 -","- C27.5 H34 Cl Ir N2 -","- C220 H272 Cl8 Ir8 N16 -","8","2","","Ueno, Atsushi; Kayaki, Yoshihito; Ikariya, Takao","Heterolysis of NH-Indoles by Bifunctional Amido Complexes and Applications to Carboxylation with Carbon Dioxide","Organometallics","2014","33","17","4479","","10.1021/om500695a","","","0.71075","MoKα","","","0.0475","","","","0.1157","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084305","10.878","0.003","14.273","0.004","19.279","0.005","90","","97.36","0.004","90","","2968.6","1.4","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 Ir N2 -","- C37 H37 Ir N2 -","- C148 H148 Ir4 N8 -","4","1","","Ueno, Atsushi; Kayaki, Yoshihito; Ikariya, Takao","Heterolysis of NH-Indoles by Bifunctional Amido Complexes and Applications to Carboxylation with Carbon Dioxide","Organometallics","2014","33","17","4479","","10.1021/om500695a","","","0.7107","MoKα","","","0.0418","","","","0.1163","","","","","","1","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084306","10.857","0.003","14.256","0.004","19.256","0.005","90","","97.263","0.004","90","","2956.5","1.4","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 N2 Rh -","- C37 H37 N2 Rh -","- C148 H148 N8 Rh4 -","4","1","","Ueno, Atsushi; Kayaki, Yoshihito; Ikariya, Takao","Heterolysis of NH-Indoles by Bifunctional Amido Complexes and Applications to Carboxylation with Carbon Dioxide","Organometallics","2014","33","17","4479","","10.1021/om500695a","","","0.7107","MoKα","","","0.0465","","","","0.1133","","","","","","1","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084307","10.5087","0.0019","16.654","0.003","17.599","0.004","90","","100.226","0.004","90","","3031.1","1","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H40 N2 Ru -","- C39 H40 N2 Ru -","- C156 H160 N8 Ru4 -","4","1","","Ueno, Atsushi; Kayaki, Yoshihito; Ikariya, Takao","Heterolysis of NH-Indoles by Bifunctional Amido Complexes and Applications to Carboxylation with Carbon Dioxide","Organometallics","2014","33","17","4479","","10.1021/om500695a","","","0.71075","MoKα","","","0.0354","","","","0.0995","","","","","","1","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084308","10.6827","0.0007","26.1743","0.0016","16.3358","0.001","90","","92.1676","0.0011","90","","4564.4","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5 in manuscript","","","- C48 H39 Au B F15 N2 -","- C48 H39 Au B F15 N2 -","- C192 H156 Au4 B4 F60 N8 -","4","1","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.0687","0.0387","","","0.0722","0.0816","","","","","","1","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084309","13.0216","0.0014","20.233","0.002","19.342","0.002","90","","92.639","0.002","90","","5090.6","0.9","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","7 in manuscript","","","- C54 H43 Au B F15 N2 -","- C54 H43 Au B F15 N2 -","- C216 H172 Au4 B4 F60 N8 -","4","2","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.1109","0.0596","","","0.0976","0.1185","","","","","","1.002","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084310","22.2634","0.0013","21.2876","0.0012","22.5234","0.0013","90","","90","","90","","10674.6","1.1","200","2","200","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","8 in manuscript","","","- C57.5 H46 Au B Cl F15 Fe N2 -","- C57.5 H46 Au B Cl F15 Fe N2 -","- C460 H368 Au8 B8 Cl8 F120 Fe8 N16 -","8","1","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.0748","0.0373","","","0.0664","0.0787","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084311","13.4564","0.0011","18.1429","0.0015","15.9523","0.0013","90","","95.34","0.002","90","","3877.7","0.6","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","11 in manuscript","","","- C39 H34 Au B F15 P -","- C39 H34 Au B F15 P -","- C156 H136 Au4 B4 F60 P4 -","4","1","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.0542","0.0449","","","0.0689","0.0746","","","","","","1.041","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084312","14.204","0.004","21.125","0.006","29.456","0.009","90","","90","","90","","8839","4","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","14 in manuscript","","","- C84 H86 Au2 B Cl4 F15 N4 -","- C85 H84 Au2 B Cl4 F15 N4 -","- C340 H336 Au8 B4 Cl16 F60 N16 -","4","1","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.1061","0.0821","","","0.2006","0.2142","","","","","","1.104","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084313","37.628","0.003","12.751","0.0011","28.95","0.003","90","","130.099","0.0019","90","","10625","1.7","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","25 in manuscript","","","- C48 H26 Au B F15 O2 P -","- C48 H26 Au B F15 O2 P -","- C384 H208 Au8 B8 F120 O16 P8 -","8","1","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.05","0.0344","","","0.0964","0.1042","","","","","","1.084","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084314","10.8644","0.0014","20.668","0.003","14.2182","0.0018","90","","99.649","0.003","90","","3147.5","0.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","22 in manuscript","","","- C33 H36 Au F5 N2 -","- C33 H36 Au F5 N2 -","- C132 H144 Au4 F20 N8 -","4","0.5","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.0516","0.0395","","","0.0642","0.0694","","","","","","1.073","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084315","16.3319","0.0011","17.4653","0.001","24.5087","0.0015","90","","104.124","0.0018","90","","6779.6","0.7","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","28 in manuscript","","","- C78 H62 Au Cl6 F5 N2 -","- C78 H62 Au Cl6 F5 N2 -","- C312 H248 Au4 Cl24 F20 N8 -","4","0.5","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.0625","0.0494","","","0.1188","0.1252","","","","","","1.071","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084316","12.7592","0.0008","19.3239","0.0014","20.095","0.0014","90","","90","","90","","4954.6","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H41 Au B F15 N2 -","- C53 H41 Au B F15 N2 -","- C212 H164 Au4 B4 F60 N8 -","4","1","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.0217","0.0194","","","0.0426","0.0431","","","","","","0.957","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084317","11.4977","0.0006","15.3116","0.0008","19.1855","0.0011","100.446","0.003","102.026","0.003","102.614","0.003","3131.4","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H56 Au B F15 N2 P -","- C71 H56 Au B F15 N2 P -","- C142 H112 Au2 B2 F30 N4 P2 -","2","1","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.0517","0.0337","","","0.0591","0.0638","","","","","","1.004","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084318","15.3811","0.0013","15.4736","0.0013","19.2197","0.0016","90","","91.3771","0.0016","90","","4573","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 Au B Cl4 F15 P -","- C43 H32 Au B Cl4 F15 P -","- C172 H128 Au4 B4 Cl16 F60 P4 -","4","1","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.0529","0.0338","","","0.0761","0.0835","","","","","","1.043","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084319","15.5769","0.0004","25.1329","0.0008","19.3985","0.0005","90","","113.437","0.0014","90","","6967.8","0.3","100","","100","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C64 H50 B Cl2 F24 I N O4 Rh S -","- C64 H50 B Cl2 F24 I N O4 Rh S -","- C256 H200 B4 Cl8 F96 I4 N4 O16 Rh4 S4 -","4","1","","Turlington, Christopher R.; Morris, James; White, Peter S.; Brennessel, William W.; Jones, William D.; Brookhart, Maurice; Templeton, Joseph L.","Exploring Oxidation of Half-Sandwich Rhodium Complexes: Oxygen Atom Insertion into the Rhodium‒Carbon Bond of κ2-Coordinated 2-Phenylpyridine","Organometallics","2014","33","17","4442","","10.1021/om500660n","","","1.54178","CuKα","","0.0699","0.0542","","","0.1441","0.1527","","","","","","1.046","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084320","9.925","0.003","10.598","0.003","11.517","0.003","91.647","0.004","115.317","0.004","91.827","0.004","1093.3","0.5","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","jonjcm27","{[Cp*Rh(O-PhPy)]2}2+ [CF3SO3]2-","","- C44 H46 F6 N2 O8 Rh2 S2 -","- C44 H46 F6 N2 O8 Rh2 S2 -","- C44 H46 F6 N2 O8 Rh2 S2 -","1","0.5","","Turlington, Christopher R.; Morris, James; White, Peter S.; Brennessel, William W.; Jones, William D.; Brookhart, Maurice; Templeton, Joseph L.","Exploring Oxidation of Half-Sandwich Rhodium Complexes: Oxygen Atom Insertion into the Rhodium‒Carbon Bond of κ2-Coordinated 2-Phenylpyridine","Organometallics","2014","33","17","4442","","10.1021/om500660n","","","0.71073","MoKα","","0.1053","0.0683","","","0.1708","0.2002","","","","","","1.008","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084321","11.7271","0.0014","15.6966","0.0019","20.646","0.003","90","","90","","90","","3800.4","0.8","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","jonjcm23","{[Cp*Rh(O-PhPy)]2}2+ [BF4]2-","","- C42 H46 B2 F8 N2 O2 Rh2 -","- C42 H46 B2 F8 N2 O2 Rh2 -","- C168 H184 B8 F32 N8 O8 Rh8 -","4","0.5","","Turlington, Christopher R.; Morris, James; White, Peter S.; Brennessel, William W.; Jones, William D.; Brookhart, Maurice; Templeton, Joseph L.","Exploring Oxidation of Half-Sandwich Rhodium Complexes: Oxygen Atom Insertion into the Rhodium‒Carbon Bond of κ2-Coordinated 2-Phenylpyridine","Organometallics","2014","33","17","4442","","10.1021/om500660n","","","0.71073","MoKα","","0.1052","0.0476","","","0.0828","0.0999","","","","","","1","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084322","16.5608","0.0005","34.7656","0.0008","23.698","0.0006","90","","90.063","0.002","90","","13644","0.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H102 Cl6 Cu6 N18 O31 -","- C96 H102 Cl6 Cu6 N18 O31 -","- C384 H408 Cl24 Cu24 N72 O124 -","4","0.5","","Meesala, Yedukondalu; Wu, Hsyueh-Liang; Koteswararao, Bommisetti; Kuo, Ting-Shen; Lee, Way-Zen","Aerobic Oxidative Coupling of 2-Naphthol Derivatives Catalyzed by a Hexanuclear Bis(μ-hydroxo)copper(II) Catalyst","Organometallics","2014","33","17","4385","","10.1021/om500403k","","","0.71073","MoKα","","0.1099","0.078","","","0.2351","0.2538","","","","","","1.071","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084323","9.0132","0.0003","31.3362","0.0009","18.9321","0.0005","90","","96.475","0.001","90","","5313.1","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Cl4 Cu2 N10 O16 -","- C40 H44 Cl3 Cu2 N10 O12 -","- C160 H176 Cl12 Cu8 N40 O48 -","4","1","","Meesala, Yedukondalu; Wu, Hsyueh-Liang; Koteswararao, Bommisetti; Kuo, Ting-Shen; Lee, Way-Zen","Aerobic Oxidative Coupling of 2-Naphthol Derivatives Catalyzed by a Hexanuclear Bis(μ-hydroxo)copper(II) Catalyst","Organometallics","2014","33","17","4385","","10.1021/om500403k","","","0.71073","MoKα","","0.1077","0.0771","","","0.2078","0.2217","","","","","","1.037","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084324","11.298","0.0016","12.948","0.003","17.812","0.004","106.601","0.014","98.692","0.014","99.664","0.009","2406.3","0.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cu2 F12 N8 P2 -","- C36 H38 Cu2 F9 N8 P1.5 -","- C72 H76 Cu4 F18 N16 P3 -","2","1","","Meesala, Yedukondalu; Wu, Hsyueh-Liang; Koteswararao, Bommisetti; Kuo, Ting-Shen; Lee, Way-Zen","Aerobic Oxidative Coupling of 2-Naphthol Derivatives Catalyzed by a Hexanuclear Bis(μ-hydroxo)copper(II) Catalyst","Organometallics","2014","33","17","4385","","10.1021/om500403k","","","0.71073","MoKα","","0.1509","0.0849","","","0.205","0.2352","","","","","","0.905","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084325","8.3024","0.0002","12.4098","0.0004","18.0083","0.0005","73.743","0.001","79.439","0.001","87.865","0.002","1750.86","0.09","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C25 H47 Cl2 F6 Ir N O3 P3 Re -","- C25 H47 Cl2 F6 Ir N O3 P3 Re -","- C50 H94 Cl4 F12 Ir2 N2 O6 P6 Re2 -","2","1","","Pichaandi, Kothanda Rama; Fanwick, Phillip E.; Abu-Omar, Mahdi M.","C‒H Activation of Methyltrioxorhenium by Pincer Iridium Hydride To Give Agile Ir‒Re Bimetallic Compounds","Organometallics","2014","33","19","5089","","10.1021/om500807a","","","0.71073","MoKα","","0.0606","0.0396","","","0.0949","0.1009","","","","","","1.031","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084326","17.2092","0.0004","12.0293","0.0003","19.4655","0.0005","90","","98.47","0.001","90","","3985.69","0.17","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C30 H57 Cl2 F6 Ir N2 O3 P3 Re -","- C30 H57 Cl2 F6 Ir N2 O3 P3 Re -","- C120 H228 Cl8 F24 Ir4 N8 O12 P12 Re4 -","4","1","","Pichaandi, Kothanda Rama; Fanwick, Phillip E.; Abu-Omar, Mahdi M.","C‒H Activation of Methyltrioxorhenium by Pincer Iridium Hydride To Give Agile Ir‒Re Bimetallic Compounds","Organometallics","2014","33","19","5089","","10.1021/om500807a","","","0.71073","MoKα","","0.0638","0.0399","","","0.0846","0.0912","","","","","","1.046","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084327","11.6376","0.0009","12.481","0.001","14.8625","0.0013","90","","105.31","0.002","90","","2082.2","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H34 O2 Ru2 -","- C21 H34 O2 Ru2 -","- C84 H136 O8 Ru8 -","4","0.5","","Shimogawa, Ryuichi; Takao, Toshiro; Konishi, Gen-ichi; Suzuki, Hiroharu","Photochemical Reaction of Diruthenium Tetrahydride-Bridged Complexes with Carbon Dioxide: Insertion of CO2into a Ru‒H Bond versus C═O Double-Bond Cleavage","Organometallics","2014","33","19","5066","","10.1021/om500615u","","","0.71069","MoKα","","0.0841","0.0543","","","0.1194","0.1372","","","","","","1.079","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084328","11.7654","0.0006","10.2405","0.0005","28.1348","0.0013","90","","92.081","0.0006","90","","3387.5","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H58 O2 Ru2 -","- C35 H58 O2 Ru2 -","- C140 H232 O8 Ru8 -","4","1","","Shimogawa, Ryuichi; Takao, Toshiro; Konishi, Gen-ichi; Suzuki, Hiroharu","Photochemical Reaction of Diruthenium Tetrahydride-Bridged Complexes with Carbon Dioxide: Insertion of CO2into a Ru‒H Bond versus C═O Double-Bond Cleavage","Organometallics","2014","33","19","5066","","10.1021/om500615u","","","0.71069","MoKα","","0.0459","0.032","","","0.0637","0.0698","","","","","","1.043","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084329","9.839","0.001","10.6384","0.0005","14.388","0.001","90","","109.66","0.001","90","","1418.22","0.19","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Mo N2 O5 S -","- C10 H12 Mo N2 O5 S -","- C40 H48 Mo4 N8 O20 S4 -","4","1","","Shupp, John P.; Kinne, Adam S.; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and Characterization of Molybdenum(0) and Tungsten(0) Complexes of Tetramethylthiourea: Single-Source Precursors for MoS2and WS2","Organometallics","2014","33","19","5238","","10.1021/om500567y","","","0.71073","MoKα","","0.0344","0.0313","","","0.0832","0.0856","","","","","","0.993","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084330","9.7415","0.0007","9.8755","0.0008","13.2893","0.0016","68.701","0.011","73.511","0.013","60.651","0.012","1029.4","0.2","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Mo N4 O4 S2 -","- C14 H24 Mo N4 O4 S2 -","- C28 H48 Mo2 N8 O8 S4 -","2","1","","Shupp, John P.; Kinne, Adam S.; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and Characterization of Molybdenum(0) and Tungsten(0) Complexes of Tetramethylthiourea: Single-Source Precursors for MoS2and WS2","Organometallics","2014","33","19","5238","","10.1021/om500567y","","","0.71073","MoKα","","0.0374","0.0355","","","0.0807","0.0822","","","","","","1.007","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084331","9.81","0.005","10.665","0.004","14.492","0.007","90","","109.96","0.006","90","","1425.1","1.1","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 O5 S W -","- C10 H12 N2 O5 S W -","- C40 H48 N8 O20 S4 W4 -","4","1","","Shupp, John P.; Kinne, Adam S.; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and Characterization of Molybdenum(0) and Tungsten(0) Complexes of Tetramethylthiourea: Single-Source Precursors for MoS2and WS2","Organometallics","2014","33","19","5238","","10.1021/om500567y","","","0.71073","MoKα","","0.0614","0.0536","","","0.1299","0.1366","","","","","","1.002","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084332","9.74","0.003","9.873","0.003","13.305","0.004","107.31","0.002","94.23","0.03","119.48","0.003","1025.4","0.6","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H48 N8 O8 S4 W2 -","- C28 H48 N8 O8 S4 W2 -","- C28 H48 N8 O8 S4 W2 -","1","0.5","","Shupp, John P.; Kinne, Adam S.; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and Characterization of Molybdenum(0) and Tungsten(0) Complexes of Tetramethylthiourea: Single-Source Precursors for MoS2and WS2","Organometallics","2014","33","19","5238","","10.1021/om500567y","","","0.71073","MoKα","","0.0467","0.0443","","","0.1159","0.1176","","","","","","1.025","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084333","11.3864","0.0003","16.8174","0.0004","18.687","0.0004","90","","104.273","0.001","90","","3467.91","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 Co F6 N P3 -","- C36 H39 Co F6 N P3 -","- C144 H156 Co4 F24 N4 P12 -","4","1","","Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Zhang, Wenjian","Peripheral Methyl Activation in η4-1,2,3,4-Tetramethylcyclobutadienylcobalt Complexes: Template Synthesis and Subsequent Reactivity of Triphosphamacrocycles","Organometallics","2014","33","19","5440","","10.1021/om500734b","","","0.71073","MoKα","","0.0868","0.0542","","","0.1185","0.1315","","","","","","1.038","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084334","13.322","0.0002","19.51","0.0004","14.513","0.0003","90","","96.378","0.0012","90","","3748.76","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 Co F6 P4 -","- C40 H43 Co F6 P4 -","- C160 H172 Co4 F24 P16 -","4","1","","Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Zhang, Wenjian","Peripheral Methyl Activation in η4-1,2,3,4-Tetramethylcyclobutadienylcobalt Complexes: Template Synthesis and Subsequent Reactivity of Triphosphamacrocycles","Organometallics","2014","33","19","5440","","10.1021/om500734b","","","0.71073","MoKα","","0.0839","0.0479","","","0.1064","0.121","","","","","","1.032","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084335","15.97","0.0002","24.4817","0.0003","19.5063","0.0003","90","","90","","90","","7626.43","0.18","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C40 H35 Co F10 N P3 -","- C40 H35 Co F10 N P3 -","- C320 H280 Co8 F80 N8 P24 -","8","1","","Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Zhang, Wenjian","Peripheral Methyl Activation in η4-1,2,3,4-Tetramethylcyclobutadienylcobalt Complexes: Template Synthesis and Subsequent Reactivity of Triphosphamacrocycles","Organometallics","2014","33","19","5440","","10.1021/om500734b","","","0.71073","MoKα","","0.1087","0.0463","","","0.0961","0.1166","","","","","","1.041","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084336","10.9766","0.0002","13.7217","0.0003","13.8448","0.0003","84.052","0.001","75.647","0.001","79.706","0.001","1983.81","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H39 Co F10 P4 -","- C44 H39 Co F10 P4 -","- C88 H78 Co2 F20 P8 -","2","1","","Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Zhang, Wenjian","Peripheral Methyl Activation in η4-1,2,3,4-Tetramethylcyclobutadienylcobalt Complexes: Template Synthesis and Subsequent Reactivity of Triphosphamacrocycles","Organometallics","2014","33","19","5440","","10.1021/om500734b","","","0.71073","MoKα","","0.0794","0.0467","","","0.0972","0.1093","","","","","","1.05","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084337","14.5081","0.0003","14.9988","0.0003","19.7361","0.0004","90","","100.09","0.001","90","","4228.23","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H41 Co F8 N P4 -","- C46 H41.001 Co F7.999 N P4 -","- C184 H164.004 Co4 F31.996 N4 P16 -","4","1","","Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Zhang, Wenjian","Peripheral Methyl Activation in η4-1,2,3,4-Tetramethylcyclobutadienylcobalt Complexes: Template Synthesis and Subsequent Reactivity of Triphosphamacrocycles","Organometallics","2014","33","19","5440","","10.1021/om500734b","","","0.71073","MoKα","","0.1204","0.0657","","","0.1417","0.163","","","","","","1.019","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084338","29.7573","0.0005","14.1366","0.0002","19.5726","0.0004","90","","96.818","0.001","90","","8175.3","0.2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Co F6 N P3 Sb -","- C46 H38 Co F6 N P3 Sb -","- C368 H304 Co8 F48 N8 P24 Sb8 -","8","1","","Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Zhang, Wenjian","Peripheral Methyl Activation in η4-1,2,3,4-Tetramethylcyclobutadienylcobalt Complexes: Template Synthesis and Subsequent Reactivity of Triphosphamacrocycles","Organometallics","2014","33","19","5440","","10.1021/om500734b","","","0.71073","MoKα","","0.106","0.0728","","","0.1729","0.1938","","","","","","1.03","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084339","11.456","0.018","12.677","0.019","15.14","0.02","101.99","0.02","108.427","0.019","99.194","0.019","1979","5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","tep2aucl","","","- C44 H44 Au Cl O2 P2 Te -","- C44 H44 Au Cl O2 P2 Te -","- C88 H88 Au2 Cl2 O4 P4 Te2 -","2","1","","Yang, Haifeng; Lin, Tzu-Pin; Gabba\?ï, François P.","Telluroether to Telluroxide Conversion in the Coordination Sphere of a Metal: Oxidation-Induced Umpolung of a Te‒Au Bond","Organometallics","2014","33","17","4368","","10.1021/om5003073","","","0.71073","MoKα","","0.1272","0.0651","","","0.1429","0.2048","","","","","","1.007","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084340","11.071","0.007","14.325","0.008","16.138","0.009","84.254","0.007","85.54","0.006","71.043","0.006","2406","2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","tep2aupcl","","","- C55 H45 Au Cl3 P3 Te -","- C55 H45 Au Cl3 P3 Te -","- C110 H90 Au2 Cl6 P6 Te2 -","2","1","","Yang, Haifeng; Lin, Tzu-Pin; Gabba\?ï, François P.","Telluroether to Telluroxide Conversion in the Coordination Sphere of a Metal: Oxidation-Induced Umpolung of a Te‒Au Bond","Organometallics","2014","33","17","4368","","10.1021/om5003073","","","0.71073","MoKα","","0.1156","0.0685","","","0.1637","0.1897","","","","","","1.005","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084341","11.475","0.002","13.03","0.003","14.275","0.003","98.479","0.002","109.941","0.002","99.162","0.002","1933.4","0.7","97","2","97","2","","","","","","","","7","P -1","-P 1","2","teop2aucl","","","- C38 H32 Au Cl5 O P2 Te -","- C38 H32 Au Cl5 O P2 Te -","- C76 H64 Au2 Cl10 O2 P4 Te2 -","2","1","","Yang, Haifeng; Lin, Tzu-Pin; Gabbaï, François P.","Telluroether to Telluroxide Conversion in the Coordination Sphere of a Metal: Oxidation-Induced Umpolung of a Te‒Au Bond","Organometallics","2014","33","17","4368","","10.1021/om5003073","","","0.71073","MoKα","","0.0483","0.0414","","","0.1078","0.1119","","","","","","1.054","","","","has coordinates","264242","2021-04-16","08:51:24",""
"4084342","13.5306","0.0007","18.3786","0.001","22.8721","0.0012","73.9259","0.0016","73.7859","0.0017","77.1431","0.0017","5182.5","0.5","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H35 Cl N P Pd -","- C46 H35 Cl N P Pd -","- C276 H210 Cl6 N6 P6 Pd6 -","6","3","","Doherty, Simon; Knight, Julian G.; Ward, Nicholas A. B.; Perry, Daniel O.; Bittner, Dror M.; Probert, Michael R.; Westcott, Stephen A.","Palladium-Catalyzed Suzuki‒Miyaura Cross-Couplings with 2-Diethylphosphonato-Substituted Aryl- and Naphthylboronate Esters as the Nucleophilic Partner: A Complementary Approach to the Synthesis of Biaryl Monophosphonates","Organometallics","2014","33","19","5209","","10.1021/om500520z","","x-ray","0.71073","MoKα","","0.1082","0.0485","","","0.0873","0.1038","","","","","","0.963","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084343","19.7435","0.0005","13.1941","0.0003","9.6988","0.0003","90","","90","","90","","2526.52","0.12","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H31 N2 O2 P -","- C29 H31 N2 O2 P -","- C116 H124 N8 O8 P4 -","4","1","","Noël-Duchesneau, Ludovik; Lugan, Noël; Lavigne, Guy; Labande, Agnès; César, Vincent","Tailoring Buchwald-Type Phosphines with Pyrimidinium Betaines as Versatile Aryl Group Surrogates","Organometallics","2014","33","19","5085","","10.1021/om5007819","","","0.71073","MoKα","","0.026","0.0253","","","0.068","0.0688","","","","","","1.008","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084344","8.814","0.005","13.644","0.005","19.463","0.005","99.035","0.005","90.123","0.005","98.344","0.005","2286.3","1.7","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C23 H35 N2 O2 P -","- C23 H35 N2 O2 P -","- C92 H140 N8 O8 P4 -","4","2","","Noël-Duchesneau, Ludovik; Lugan, Noël; Lavigne, Guy; Labande, Agnès; César, Vincent","Tailoring Buchwald-Type Phosphines with Pyrimidinium Betaines as Versatile Aryl Group Surrogates","Organometallics","2014","33","19","5085","","10.1021/om5007819","","x-ray","0.71073","MoKα","","0.0388","0.0339","","","0.0847","0.0892","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084345","9.929","0.005","12.148","0.005","12.831","0.005","95.473","0.005","99.4","0.005","98.413","0.005","1499.1","1.1","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C30 H33 Au Cl3 N2 O2 P -","- C30 H33 Au Cl3 N2 O2 P -","- C60 H66 Au2 Cl6 N4 O4 P2 -","2","1","","Noël-Duchesneau, Ludovik; Lugan, Noël; Lavigne, Guy; Labande, Agnès; César, Vincent","Tailoring Buchwald-Type Phosphines with Pyrimidinium Betaines as Versatile Aryl Group Surrogates","Organometallics","2014","33","19","5085","","10.1021/om5007819","","x-ray","0.71073","MoKα","","0.0208","0.0179","","","0.042","0.0431","","","","","","1.05","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084346","10.0977","0.0003","12.6809","0.0004","21.4021","0.0007","90","","99.752","0.001","90","","2700.89","0.15","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Cl N2 O2 P Pd -","- C26 H40 Cl N2 O2 P Pd -","- C104 H160 Cl4 N8 O8 P4 Pd4 -","4","1","","Noël-Duchesneau, Ludovik; Lugan, Noël; Lavigne, Guy; Labande, Agnès; César, Vincent","Tailoring Buchwald-Type Phosphines with Pyrimidinium Betaines as Versatile Aryl Group Surrogates","Organometallics","2014","33","19","5085","","10.1021/om5007819","","x-ray","0.71073","MoKα","","0.0233","0.0208","","","0.0577","0.0594","","","","","","1.06","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084347","10.05","0.0003","11.2253","0.0003","25.4689","0.0008","90","","90","","90","","2873.26","0.15","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Fe N O4 P Pd -","- C34 H32 Fe N O4 P Pd -","- C136 H128 Fe4 N4 O16 P4 Pd4 -","4","1","","Gan, Kennard; Sadeer, Abdul; Xu, Chang; Li, Yongxin; Pullarkat, Sumod A.","Asymmetric Construction of a Ferrocenyl Phosphapalladacycle from Achiral Enones and a Demonstration of Its Catalytic Potential","Organometallics","2014","33","19","5074","","10.1021/om5007215","","","0.71073","MoKα","","0.0484","0.0355","","","0.0925","0.1113","","","","","","1.144","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084348","11.1263","0.0006","12.709","0.0007","29.4776","0.0019","90","","90","","90","","4168.3","0.4","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 Cl3 Fe N O P Pd -","- C46 H45 Cl3 Fe N O P Pd -","- C184 H180 Cl12 Fe4 N4 O4 P4 Pd4 -","4","1","","Gan, Kennard; Sadeer, Abdul; Xu, Chang; Li, Yongxin; Pullarkat, Sumod A.","Asymmetric Construction of a Ferrocenyl Phosphapalladacycle from Achiral Enones and a Demonstration of Its Catalytic Potential","Organometallics","2014","33","19","5074","","10.1021/om5007215","","","0.71073","MoKα","","0.0846","0.0529","","","0.1074","0.1282","","","","","","1.008","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084349","24.592","0.012","8.945","0.003","15.421","0.008","90","","123.972","0.008","90","","2813","2","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 Zr -","- C32 H46 Zr -","- C128 H184 Zr4 -","4","0.5","","Suzuki, Noriyuki; Yoshitani, Takao; Inoue, Shota; Hashizume, Daisuke; Yoshida, Hajime; Tezuka, Meguru; Ida, Keisuke; Nagashima, Sayoko; Chihara, Teiji; Kobayashi, Osamu; Nanbu, Shinkoh; Masuyama, Yoshiro","Haptotropic Shift of [5]Cumulenes in Zirconocene Complexes and Effects of Steric Factors","Organometallics","2014","33","19","5220","","10.1021/om500536c","","","0.7107","MoKα","","","0.0497","","","","0.096","","","","","","1.071","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084350","13.71","0.004","7.799","0.002","26.455","0.007","90","","95.7523","0.0014","90","","2814.4","1.3","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Zr -","- C34 H46 Zr -","- C136 H184 Zr4 -","4","1","","Suzuki, Noriyuki; Yoshitani, Takao; Inoue, Shota; Hashizume, Daisuke; Yoshida, Hajime; Tezuka, Meguru; Ida, Keisuke; Nagashima, Sayoko; Chihara, Teiji; Kobayashi, Osamu; Nanbu, Shinkoh; Masuyama, Yoshiro","Haptotropic Shift of [5]Cumulenes in Zirconocene Complexes and Effects of Steric Factors","Organometallics","2014","33","19","5220","","10.1021/om500536c","","","0.7107","MoKα","","","0.0289","","","","0.0811","","","","","","0.751","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084351","15.006","0.007","12.037","0.005","17.887","0.008","90","","110.549","0.0017","90","","3025","2","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 Zr -","- C36 H50 Zr -","- C144 H200 Zr4 -","4","1","","Suzuki, Noriyuki; Yoshitani, Takao; Inoue, Shota; Hashizume, Daisuke; Yoshida, Hajime; Tezuka, Meguru; Ida, Keisuke; Nagashima, Sayoko; Chihara, Teiji; Kobayashi, Osamu; Nanbu, Shinkoh; Masuyama, Yoshiro","Haptotropic Shift of [5]Cumulenes in Zirconocene Complexes and Effects of Steric Factors","Organometallics","2014","33","19","5220","","10.1021/om500536c","","","0.7107","MoKα","","","0.067","","","","0.1667","","","","","","1.161","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084352","8.306","0.002","18.527","0.005","21.323","0.005","90","","90","","90","","3281.3","1.4","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H55 P Zr -","- C35 H55 P Zr -","- C140 H220 P4 Zr4 -","4","1","","Suzuki, Noriyuki; Yoshitani, Takao; Inoue, Shota; Hashizume, Daisuke; Yoshida, Hajime; Tezuka, Meguru; Ida, Keisuke; Nagashima, Sayoko; Chihara, Teiji; Kobayashi, Osamu; Nanbu, Shinkoh; Masuyama, Yoshiro","Haptotropic Shift of [5]Cumulenes in Zirconocene Complexes and Effects of Steric Factors","Organometallics","2014","33","19","5220","","10.1021/om500536c","","","0.7107","MoKα","","","0.0433","","","","0.0858","","","","","","1.1","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084353","16.421","0.004","11.638","0.003","18.611","0.005","90","","95.6527","0.0009","90","","3539.4","1.6","193","","193","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C39 H59 P Zr -","- C39 H59 P Zr -","- C156 H236 P4 Zr4 -","4","1","","Suzuki, Noriyuki; Yoshitani, Takao; Inoue, Shota; Hashizume, Daisuke; Yoshida, Hajime; Tezuka, Meguru; Ida, Keisuke; Nagashima, Sayoko; Chihara, Teiji; Kobayashi, Osamu; Nanbu, Shinkoh; Masuyama, Yoshiro","Haptotropic Shift of [5]Cumulenes in Zirconocene Complexes and Effects of Steric Factors","Organometallics","2014","33","19","5220","","10.1021/om500536c","","","0.7107","MoKα","","","0.0624","","","","0.0987","","","","","","1.229","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084354","10.6733","0.0009","21.1693","0.0019","16.3627","0.0016","90","","107.894","0.0016","90","","3518.3","0.6","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 N Zr -","- C37 H55 N Zr -","- C148 H220 N4 Zr4 -","4","1","","Suzuki, Noriyuki; Yoshitani, Takao; Inoue, Shota; Hashizume, Daisuke; Yoshida, Hajime; Tezuka, Meguru; Ida, Keisuke; Nagashima, Sayoko; Chihara, Teiji; Kobayashi, Osamu; Nanbu, Shinkoh; Masuyama, Yoshiro","Haptotropic Shift of [5]Cumulenes in Zirconocene Complexes and Effects of Steric Factors","Organometallics","2014","33","19","5220","","10.1021/om500536c","","","0.7107","MoKα","","","0.043","","","","0.1001","","","","","","1.087","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084355","8.161","0.003","22.558","0.006","23.013","0.004","110.75","0.04","96.16","0.04","96.57","0.05","3886","2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H64 N2 Zr -","- C41.9998 H55 N2 Zr -","- C167.999 H220 N8 Zr4 -","4","2","","Suzuki, Noriyuki; Yoshitani, Takao; Inoue, Shota; Hashizume, Daisuke; Yoshida, Hajime; Tezuka, Meguru; Ida, Keisuke; Nagashima, Sayoko; Chihara, Teiji; Kobayashi, Osamu; Nanbu, Shinkoh; Masuyama, Yoshiro","Haptotropic Shift of [5]Cumulenes in Zirconocene Complexes and Effects of Steric Factors","Organometallics","2014","33","19","5220","","10.1021/om500536c","","","0.71069","MoKα","","","0.1144","","","","0.3549","","","","","","1.229","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084356","10.0699","0.0014","9.7803","0.0018","11.7524","0.0013","90","","91.295","0.007","90","","1157.2","0.3","193","","193","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 -","- C26 H40 -","- C52 H80 -","2","0.5","","Suzuki, Noriyuki; Yoshitani, Takao; Inoue, Shota; Hashizume, Daisuke; Yoshida, Hajime; Tezuka, Meguru; Ida, Keisuke; Nagashima, Sayoko; Chihara, Teiji; Kobayashi, Osamu; Nanbu, Shinkoh; Masuyama, Yoshiro","Haptotropic Shift of [5]Cumulenes in Zirconocene Complexes and Effects of Steric Factors","Organometallics","2014","33","19","5220","","10.1021/om500536c","","","0.71075","MoKα","","0.0531","0.0418","","","0.1131","0.1207","","","","","","1.07","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084357","12.5384","0.001","14.2391","0.0012","29.279","0.003","90","","90","","90","","5227.3","0.8","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","7-Ni","","- C51 H56 Ag2 Cl4 N6 Ni O2 -","- C51 H56 Ag2 Cl4 N6 Ni O2 -","- C204 H224 Ag8 Cl16 N24 Ni4 O8 -","4","1","","Mechler, Melanie; Frey, Wolfgang; Peters, René","Macrocyclic Salen‒Bis-NHC Hybrid Ligands and Their Application to the Synthesis of Enantiopure Bi- and Trimetallic Complexes","Organometallics","2014","33","19","5492","","10.1021/om500762r","","","0.71073","MoKα","","0.0842","0.048","","","0.064","0.0692","","","","","","1.021","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084358","12.8207","0.0007","14.4012","0.0009","28.6348","0.0016","90","","90","","90","","5286.9","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","7-Pd","","- C52 H58 Ag2 Cl6 N6 O2 Pd -","- C52 H58 Ag2 Cl6 N6 O2 Pd -","- C208 H232 Ag8 Cl24 N24 O8 Pd4 -","4","1","","Mechler, Melanie; Frey, Wolfgang; Peters, René","Macrocyclic Salen‒Bis-NHC Hybrid Ligands and Their Application to the Synthesis of Enantiopure Bi- and Trimetallic Complexes","Organometallics","2014","33","19","5492","","10.1021/om500762r","","","0.71073","MoKα","","0.0436","0.039","","","0.1022","0.1045","","","","","","1.064","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084359","12.2291","0.0017","13.6366","0.0019","16.584","0.002","77.468","0.008","72.261","0.007","66.012","0.006","2392.8","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","","15-Ni","","- C48.5 H53 Au2 Cl3 N6 Ni O2 -","- C48.5 H53 Au2 Cl3 N6 Ni O2 -","- C97 H106 Au4 Cl6 N12 Ni2 O4 -","2","2","","Mechler, Melanie; Frey, Wolfgang; Peters, René","Macrocyclic Salen‒Bis-NHC Hybrid Ligands and Their Application to the Synthesis of Enantiopure Bi- and Trimetallic Complexes","Organometallics","2014","33","19","5492","","10.1021/om500762r","","","0.71073","MoKα","","0.178","0.1092","","","0.2575","0.2859","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084360","18.349","0.002","8.612","0.0009","22.556","0.002","90","","94.695","0.002","90","","3552.4","0.6","203","2","203","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C21 H26 Fe O -","- C21 H26 Fe O -","- C168 H208 Fe8 O8 -","8","2","","Kalman, Steven E.; Gunnoe, T. Brent; Sabat, Michal","Formation of Hydroxyindenyl and Vinylidene Ligands by Reaction of Internal Alkynes with Cp*Fe(CO)(NCMe)Ph","Organometallics","2014","33","19","5457","","10.1021/om500748v","","","0.71073","MoKα","","0.0854","0.046","","","0.0937","0.109","","","","","","0.956","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084361","18.407","0.009","18.427","0.009","17.5","0.009","90","","118.007","0.007","90","","5241","5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 Fe O Si2 -","- C25 H38 Fe O Si2 -","- C200 H304 Fe8 O8 Si16 -","8","2","","Kalman, Steven E.; Gunnoe, T. Brent; Sabat, Michal","Formation of Hydroxyindenyl and Vinylidene Ligands by Reaction of Internal Alkynes with Cp*Fe(CO)(NCMe)Ph","Organometallics","2014","33","19","5457","","10.1021/om500748v","","","0.71073","MoKα","","0.1262","0.0875","","","0.2895","0.304","","","","","","1.111","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084362","9.9903","0.0005","9.5798","0.0005","10.6039","0.0006","90","","108.572","0.006","90","","962","0.09","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 B P2 -","- C19 H29 B P2 -","- C38 H58 B2 P4 -","2","1","","Izod, Keith; Wills, Corinne; Anderson, Emma; Harrington, Ross W.; Probert, Michael R.","Insights into the Stability and Structures of Phosphine-Boranes and Their α-Metalated Derivatives","Organometallics","2014","33","19","5283","","10.1021/om5005995","","","0.71073","MoKα","","0.0409","0.0357","","","0.0787","0.0832","","","","","","1.075","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084363","11.7737","0.0006","16.1992","0.0006","15.188","0.0007","90","","103.595","0.004","90","","2815.6","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 B Li N2 P2 -","- C25 H44 B Li N2 P2 -","- C100 H176 B4 Li4 N8 P8 -","4","1","","Izod, Keith; Wills, Corinne; Anderson, Emma; Harrington, Ross W.; Probert, Michael R.","Insights into the Stability and Structures of Phosphine-Boranes and Their α-Metalated Derivatives","Organometallics","2014","33","19","5283","","10.1021/om5005995","","","0.71073","MoKα","","0.0615","0.0419","","","0.0904","0.1022","","","","","","1.029","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084364","9.3112","0.0005","11.9453","0.0005","14.0786","0.0007","74.945","0.004","77.243","0.004","76.944","0.004","1451.01","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H44 B Li O2 P2 -","- C27 H44 B Li O2 P2 -","- C54 H88 B2 Li2 O4 P4 -","2","1","","Izod, Keith; Wills, Corinne; Anderson, Emma; Harrington, Ross W.; Probert, Michael R.","Insights into the Stability and Structures of Phosphine-Boranes and Their α-Metalated Derivatives","Organometallics","2014","33","19","5283","","10.1021/om5005995","","","0.71073","MoKα","","0.0581","0.0461","","","0.1113","0.1229","","","","","","1.038","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084365","10.2843","0.0004","12.3798","0.0005","21.8415","0.0009","90","","90.176","0.004","90","","2780.79","0.19","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 B Li N2 P2 -","- C25 H44 B Li N2 P2 -","- C100 H176 B4 Li4 N8 P8 -","4","1","","Izod, Keith; Wills, Corinne; Anderson, Emma; Harrington, Ross W.; Probert, Michael R.","Insights into the Stability and Structures of Phosphine-Boranes and Their α-Metalated Derivatives","Organometallics","2014","33","19","5283","","10.1021/om5005995","","","0.71073","MoKα","","0.0536","0.0392","","","0.0904","0.0998","","","","","","1.043","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084366","12.4933","0.0004","14.0993","0.0005","17.8125","0.0006","78.471","0.003","79.092","0.003","76.368","0.003","2954.24","0.18","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H47 B2 Li N2 P2 -","- C25 H47 B2 Li N2 P2 -","- C100 H188 B8 Li4 N8 P8 -","4","2","","Izod, Keith; Wills, Corinne; Anderson, Emma; Harrington, Ross W.; Probert, Michael R.","Insights into the Stability and Structures of Phosphine-Boranes and Their α-Metalated Derivatives","Organometallics","2014","33","19","5283","","10.1021/om5005995","","","0.71073","MoKα","","0.0591","0.0411","","","0.0936","0.1055","","","","","","1.034","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084367","9.2843","0.0006","17.0975","0.0007","9.3062","0.0005","90","","113.598","0.007","90","","1353.72","0.15","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H41 Li N2 P2 -","- C25 H41 Li N2 P2 -","- C50 H82 Li2 N4 P4 -","2","1","","Izod, Keith; Wills, Corinne; Anderson, Emma; Harrington, Ross W.; Probert, Michael R.","Insights into the Stability and Structures of Phosphine-Boranes and Their α-Metalated Derivatives","Organometallics","2014","33","19","5283","","10.1021/om5005995","","","0.71073","MoKα","","0.0318","0.0285","","","0.0678","0.07","","","","","","1.06","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084368","8.1354","0.0002","11.0444","0.0004","23.5739","0.0006","90","","99.781","0.002","90","","2087.34","0.11","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 F12 N12 O2 P2 Pd2 -","- C32 H42 F12 N12 O2 P2 Pd2 -","- C64 H84 F24 N24 O4 P4 Pd4 -","2","0.5","","Guo, Tongxun; Dechert, Sebastian; Meyer, Franc","Dinuclear Palladium Complexes of Pyrazole-Bridged Bis(NHC) Ligands: A Delicate Balance between Normal and Abnormal Carbene Coordination","Organometallics","2014","33","19","5145","","10.1021/om500351j","","","0.71073","MoKα","","0.0328","0.0309","","","0.0768","0.0782","","","","","","1.042","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084369","22.8605","0.0012","7.9596","0.0002","28.0165","0.0013","90","","92.004","0.004","90","","5094.8","0.4","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H60 F12 N14 P2 Pd2 -","- C42 H60 F12 N14 P2 Pd2 -","- C168 H240 F48 N56 P8 Pd8 -","4","1","","Guo, Tongxun; Dechert, Sebastian; Meyer, Franc","Dinuclear Palladium Complexes of Pyrazole-Bridged Bis(NHC) Ligands: A Delicate Balance between Normal and Abnormal Carbene Coordination","Organometallics","2014","33","19","5145","","10.1021/om500351j","","","0.71073","MoKα","","0.0336","0.0254","","","0.0583","0.0605","","","","","","1.018","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084370","12.906","0.0006","20.2987","0.0008","14.3684","0.0007","90","","102.751","0.004","90","","3671.3","0.3","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H86 F12 N12 O4 P2 Pd2 -","- C70 H86 F12 N12 O4 P2 Pd2 -","- C140 H172 F24 N24 O8 P4 Pd4 -","2","0.5","","Guo, Tongxun; Dechert, Sebastian; Meyer, Franc","Dinuclear Palladium Complexes of Pyrazole-Bridged Bis(NHC) Ligands: A Delicate Balance between Normal and Abnormal Carbene Coordination","Organometallics","2014","33","19","5145","","10.1021/om500351j","","","0.71073","MoKα","","0.0389","0.0314","","","0.0753","0.0784","","","","","","1.028","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084371","21.1808","0.0004","17.0295","0.0003","26.5164","0.0006","90","","111.24","0.002","90","","8914.7","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H109 B2 N17 Pd2 -","- C96 H109 B2 N17 Pd2 -","- C384 H436 B8 N68 Pd8 -","4","1","","Guo, Tongxun; Dechert, Sebastian; Meyer, Franc","Dinuclear Palladium Complexes of Pyrazole-Bridged Bis(NHC) Ligands: A Delicate Balance between Normal and Abnormal Carbene Coordination","Organometallics","2014","33","19","5145","","10.1021/om500351j","","","0.71073","MoKα","","0.0806","0.0497","","","0.0966","0.1048","","","","","","1.038","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084372","8.4677","0.0007","11.5408","0.001","11.9833","0.001","82.86","0.007","69.725","0.006","71.791","0.006","1043.32","0.16","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20.5 Cl3 N6.5 Pd2 -","- C16 H20.5 Cl3 N6.5 Pd2 -","- C32 H41 Cl6 N13 Pd4 -","2","1","","Guo, Tongxun; Dechert, Sebastian; Meyer, Franc","Dinuclear Palladium Complexes of Pyrazole-Bridged Bis(NHC) Ligands: A Delicate Balance between Normal and Abnormal Carbene Coordination","Organometallics","2014","33","19","5145","","10.1021/om500351j","","","0.71073","MoKα","","0.1267","0.0995","","","0.2685","0.2852","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084373","8.5497","0.0003","12.7222","0.0004","18.0747","0.0006","92.151","0.003","96.359","0.003","99.425","0.003","1924.42","0.11","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 Cl3 N6 Pd2 -","- C15 H19 Cl3 N6 Pd2 -","- C60 H76 Cl12 N24 Pd8 -","4","2","","Guo, Tongxun; Dechert, Sebastian; Meyer, Franc","Dinuclear Palladium Complexes of Pyrazole-Bridged Bis(NHC) Ligands: A Delicate Balance between Normal and Abnormal Carbene Coordination","Organometallics","2014","33","19","5145","","10.1021/om500351j","","","0.71073","MoKα","","0.0368","0.0305","","","0.0747","0.0774","","","","","","1.001","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084374","8.4978","0.0005","10.0419","0.0007","16.2133","0.0011","98.191","0.005","96.413","0.005","90.112","0.005","1360.64","0.16","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H33 Cl3 N6 O Pd2 S -","- C21 H33 Cl3 N6 O Pd2 S -","- C42 H66 Cl6 N12 O2 Pd4 S2 -","2","1","","Guo, Tongxun; Dechert, Sebastian; Meyer, Franc","Dinuclear Palladium Complexes of Pyrazole-Bridged Bis(NHC) Ligands: A Delicate Balance between Normal and Abnormal Carbene Coordination","Organometallics","2014","33","19","5145","","10.1021/om500351j","","","0.71073","MoKα","","0.0668","0.0422","","","0.0743","0.0803","","","","","","1.058","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084375","10.1532","0.001","14.2472","0.0014","13.6316","0.0014","90","","95.492","0.001","90","","1962.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H60 Fe N6 -","- C45 H60 Fe N6 -","- C90 H120 Fe2 N12 -","2","1","","Darmon, Jonathan M.; Yu, Renyuan Pony; Semproni, Scott P.; Turner, Zoë R; Stieber, S Chantal E; DeBeer, Serena; Chirik, Paul J.","Electronic Structure Determination of Pyridine N-Heterocyclic Carbene Iron Dinitrogen Complexes and Neutral Ligand Derivatives.","Organometallics","2014","33","19","5423","5433","10.1021/om500727t","","","0.71073","MoKα","","0.0428","0.0345","","","0.0774","0.0806","","","","","","1.024","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084376","11.098","0.005","23.513","0.005","16.613","0.005","90","","92.883","0.005","90","","4330","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H61 Fe N9 O -","- C46 H61 Fe N9 O -","- C184 H244 Fe4 N36 O4 -","4","1","","Darmon, Jonathan M.; Yu, Renyuan Pony; Semproni, Scott P.; Turner, Zoë R; Stieber, S Chantal E; DeBeer, Serena; Chirik, Paul J.","Electronic Structure Determination of Pyridine N-Heterocyclic Carbene Iron Dinitrogen Complexes and Neutral Ligand Derivatives.","Organometallics","2014","33","19","5423","5433","10.1021/om500727t","","","1.54187","CuKα","","0.0351","0.0314","","","0.0835","0.0858","","","","","","1.024","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084377","9.7413","0.0008","10.4158","0.0008","14.2327","0.0008","72.515","0.006","70.843","0.006","64.865","0.008","1212.86","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 Cl3 N2 Si -","- C23 H31 Cl3 N2 Si -","- C46 H62 Cl6 N4 Si2 -","2","1","","Blom, Burgert; Pohl, Markus; Tan, Gengwen; Gallego, Daniel; Driess, Matthias","From Unsymmetrically Substituted Benzamidinato and Guanidinato Dichlorohydridosilanes to Novel Hydrido N-Heterocyclic Silylene Iron Complexes","Organometallics","2014","33","19","5272","","10.1021/om5005918","","","1.54184","CuKα","","0.0419","0.0398","","","0.1084","0.1093","","","","","","1.046","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084378","15.8302","0.0001","16.9366","0.0001","18.3875","0.0001","90","","103.728","0.001","90","","4789.04","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 Cl2 N2 Si -","- C23 H32 Cl2 N2 Si -","- C184 H256 Cl16 N16 Si8 -","8","2","","Blom, Burgert; Pohl, Markus; Tan, Gengwen; Gallego, Daniel; Driess, Matthias","From Unsymmetrically Substituted Benzamidinato and Guanidinato Dichlorohydridosilanes to Novel Hydrido N-Heterocyclic Silylene Iron Complexes","Organometallics","2014","33","19","5272","","10.1021/om5005918","","","1.54184","CuKα","","0.0469","0.042","","","0.1123","0.1171","","","","","","1.036","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084379","9.1949","0.0001","15.7363","0.0001","15.1115","0.0001","90","","93.372","0.001","90","","2182.75","0.03","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H33 Cl2 N3 Si -","- C19 H33 Cl2 N3 Si -","- C76 H132 Cl8 N12 Si4 -","4","1","","Blom, Burgert; Pohl, Markus; Tan, Gengwen; Gallego, Daniel; Driess, Matthias","From Unsymmetrically Substituted Benzamidinato and Guanidinato Dichlorohydridosilanes to Novel Hydrido N-Heterocyclic Silylene Iron Complexes","Organometallics","2014","33","19","5272","","10.1021/om5005918","","","1.54184","CuKα","","0.028","0.0266","","","0.0735","0.0745","","","","","","1.04","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084380","15.218","0.0008","11.3381","0.0004","12.6332","0.0006","90","","104.835","0.005","90","","2107.11","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Cl2 N2 Si -","- C21 H30 Cl2 N2 Si -","- C84 H120 Cl8 N8 Si4 -","4","1","","Blom, Burgert; Pohl, Markus; Tan, Gengwen; Gallego, Daniel; Driess, Matthias","From Unsymmetrically Substituted Benzamidinato and Guanidinato Dichlorohydridosilanes to Novel Hydrido N-Heterocyclic Silylene Iron Complexes","Organometallics","2014","33","19","5272","","10.1021/om5005918","","","1.54184","CuKα","","0.1034","0.0899","","","0.2259","0.2446","","","","","","1.032","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084381","17.9112","0.001","9.0456","0.0003","19.0419","0.0011","90","","120.609","0.008","90","","2655.2","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H33 Fe N3 O4 Si -","- C23 H33 Fe N3 O4 Si -","- C92 H132 Fe4 N12 O16 Si4 -","4","1","","Blom, Burgert; Pohl, Markus; Tan, Gengwen; Gallego, Daniel; Driess, Matthias","From Unsymmetrically Substituted Benzamidinato and Guanidinato Dichlorohydridosilanes to Novel Hydrido N-Heterocyclic Silylene Iron Complexes","Organometallics","2014","33","19","5272","","10.1021/om5005918","","","1.54184","CuKα","","0.0537","0.0448","","","0.1061","0.1166","","","","","","1.068","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084382","15.142","0.002","13.214","0.002","15.135","0.003","90","","119.449","0.002","90","","2637","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H41 As2 Ir O2 -","- C22 H39 As2 Ir O2 -","- C88 H156 As8 Ir4 O8 -","4","1","","Brayton, Daniel F.; Beaumont, Paul R.; Fukushima, Erin Y.; Sartain, Hope T.; Morales-Morales, David; Jensen, Craig M.","Synthesis, Characterization, and Dehydrogenation Activity of an Iridium Arsenic Based Pincer Catalyst","Organometallics","2014","33","19","5198","","10.1021/om5005034","","","0.71073","MoKα","","0.0447","0.0331","","","0.0874","0.0954","","","","","","1.097","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084383","10.842","0.002","14.437","0.003","17.924","0.004","109.152","0.005","103.201","0.006","100.459","0.005","2477.9","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H61 Mo N2 S -","- C61 H61 Mo N2 S -","- C122 H122 Mo2 N4 S2 -","2","1","","Townsend, Erik M.; Hyvl, Jakub; Forrest, William P.; Schrock, Richard R.; Müller, Peter; Hoveyda, Amir H.","Synthesis of Molybdenum and Tungsten Alkylidene Complexes That Contain Sterically Demanding Arenethiolate Ligands.","Organometallics","2014","33","19","5334","5341","10.1021/om500655n","","","0.71073","MoKα","","0.0367","0.0342","","","0.0929","0.0948","","","","","","1.045","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084384","13.0976","0.0013","16.8512","0.0017","17.6393","0.0017","69.51","0.002","89.838","0.002","74.329","0.002","3493.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H79 Mo N S2 -","- C89 H79 Mo N S2 -","- C178 H158 Mo2 N2 S4 -","2","1","","Townsend, Erik M.; Hyvl, Jakub; Forrest, William P.; Schrock, Richard R.; Müller, Peter; Hoveyda, Amir H.","Synthesis of Molybdenum and Tungsten Alkylidene Complexes That Contain Sterically Demanding Arenethiolate Ligands.","Organometallics","2014","33","19","5334","5341","10.1021/om500655n","","","0.71073","MoKα","","0.0354","0.03","","","0.0723","0.0753","","","","","","1.042","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084385","17.391","0.002","18.729","0.002","8.6911","0.0011","90","","90","","90","","2830.8","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H39 N2 O P W -","- C30 H39 N2 O P W -","- C120 H156 N8 O4 P4 W4 -","4","1","","Townsend, Erik M.; Hyvl, Jakub; Forrest, William P.; Schrock, Richard R.; Müller, Peter; Hoveyda, Amir H.","Synthesis of Molybdenum and Tungsten Alkylidene Complexes That Contain Sterically Demanding Arenethiolate Ligands.","Organometallics","2014","33","19","5334","5341","10.1021/om500655n","","","0.71073","MoKα","","0.0294","0.0256","","","0.0601","0.0618","","","","","","1.035","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084386","12.7794","0.0011","20.788","0.0017","25.784","0.002","90","","96.724","0.001","90","","6802.6","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H75 O P S2 W -","- C85 H75 O P S2 W -","- C340 H300 O4 P4 S8 W4 -","4","1","","Townsend, Erik M.; Hyvl, Jakub; Forrest, William P.; Schrock, Richard R.; Müller, Peter; Hoveyda, Amir H.","Synthesis of Molybdenum and Tungsten Alkylidene Complexes That Contain Sterically Demanding Arenethiolate Ligands.","Organometallics","2014","33","19","5334","5341","10.1021/om500655n","","","0.71073","MoKα","","0.0371","0.032","","","0.0752","0.0782","","","","","","1.049","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084387","19.4141","0.0005","9.0119","0.0002","17.7074","0.0004","90","","90","","90","","3098.05","0.13","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H52 Fe P2 Pd -","- C30 H52 Fe P2 Pd -","- C120 H208 Fe4 P8 Pd4 -","4","1","","Russell, Andrew D.; Whittell, George R.; Haddow, Mairi F.; Manners, Ian","Facile Formation of FePd Nanoparticles from Single-Source [1]Ferrocenophane Precursors","Organometallics","2014","33","19","5349","","10.1021/om500673r","","","0.71073","MoKα","","0.0715","0.0469","","","0.08","0.0881","","","","","","1.012","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084388","5.7985","0.0007","12.9487","0.0015","35.738","0.004","90","","92.17","0.001","90","","2681.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N S -","- C7 H7 N S -","- C112 H112 N16 S16 -","16","4","","Mutoh, Yuichiro; Sakigawara, Masahiro; Niiyama, Ippei; Saito, Shinichi; Ishii, Youichi","Synthesis of Rhodium‒Primary Thioamide Complexes and Their Desulfurization Leading to Rhodium Sulfido Cubane-Type Clusters and Nitriles","Organometallics","2014","33","19","5414","","10.1021/om500714c","","","0.71073","MoKα","","0.0524","0.0357","","","0.0799","0.0876","","","","","","1.028","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084389","9.2766","0.0012","14.589","0.002","13.4987","0.0019","90","","93.74","0.002","90","","1823","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Cl2 N Rh S -","- C17 H22 Cl2 N Rh S -","- C68 H88 Cl8 N4 Rh4 S4 -","4","1","","Mutoh, Yuichiro; Sakigawara, Masahiro; Niiyama, Ippei; Saito, Shinichi; Ishii, Youichi","Synthesis of Rhodium‒Primary Thioamide Complexes and Their Desulfurization Leading to Rhodium Sulfido Cubane-Type Clusters and Nitriles","Organometallics","2014","33","19","5414","","10.1021/om500714c","","","0.71075","MoKα","","0.0389","0.0337","","","0.0649","0.0666","","","","","","1.026","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084390","22.737","0.011","22.737","0.011","16.188","0.008","90","","90","","90","","8369","7","173","2","173","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C17 H21 Cl3 N Rh S -","- C17 H21 Cl3 N Rh S -","- C272 H336 Cl48 N16 Rh16 S16 -","16","1","","Mutoh, Yuichiro; Sakigawara, Masahiro; Niiyama, Ippei; Saito, Shinichi; Ishii, Youichi","Synthesis of Rhodium‒Primary Thioamide Complexes and Their Desulfurization Leading to Rhodium Sulfido Cubane-Type Clusters and Nitriles","Organometallics","2014","33","19","5414","","10.1021/om500714c","","","0.71073","MoKα","","0.0212","0.0184","","","0.0422","0.0451","","","","","","1.085","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084391","23.591","0.005","23.591","0.005","15.839","0.003","90","","90","","90","","8815","3","123","2","123","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C18 H21 Cl2 F3 N Rh S -","- C18 H21 Cl2 F3 N Rh S -","- C288 H336 Cl32 F48 N16 Rh16 S16 -","16","1","","Mutoh, Yuichiro; Sakigawara, Masahiro; Niiyama, Ippei; Saito, Shinichi; Ishii, Youichi","Synthesis of Rhodium‒Primary Thioamide Complexes and Their Desulfurization Leading to Rhodium Sulfido Cubane-Type Clusters and Nitriles","Organometallics","2014","33","19","5414","","10.1021/om500714c","","","0.71075","MoKα","","0.1","0.0755","","","0.1762","0.1925","","","","","","1.095","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084392","22.526","0.005","22.526","0.005","16.114","0.004","90","","90","","90","","8177","3","123","2","123","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C17 H21 Cl2 N2 O2 Rh S -","- C17 H21 Cl2 N2 O2 Rh S -","- C272 H336 Cl32 N32 O32 Rh16 S16 -","16","1","","Mutoh, Yuichiro; Sakigawara, Masahiro; Niiyama, Ippei; Saito, Shinichi; Ishii, Youichi","Synthesis of Rhodium‒Primary Thioamide Complexes and Their Desulfurization Leading to Rhodium Sulfido Cubane-Type Clusters and Nitriles","Organometallics","2014","33","19","5414","","10.1021/om500714c","","","0.71075","MoKα","","0.0841","0.0654","","","0.125","0.1332","","","","","","1.107","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084393","11.137","0.0011","11.2539","0.0012","18.697","0.002","81.498","0.005","80.834","0.004","65.709","0.004","2099.8","0.4","123.15","","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H60 Rh4 S4 -","- C40 H60 Rh4 S4 -","- C80 H120 Rh8 S8 -","2","1","","Mutoh, Yuichiro; Sakigawara, Masahiro; Niiyama, Ippei; Saito, Shinichi; Ishii, Youichi","Synthesis of Rhodium–Primary Thioamide Complexes and Their Desulfurization Leading to Rhodium Sulfido Cubane-Type Clusters and Nitriles","Organometallics","2014","33","19","5414","","10.1021/om500714c","","","0.7107","MoKα","","0.0454","0.0348","","","0.0844","0.0912","","","","","","1.036","","","","has coordinates","275167","2022-05-07","00:22:39",""
"4084394","12.743","0.002","15.166","0.003","19.65","0.004","90","","101.209","0.003","90","","3725.1","1.2","123.15","","123.15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C72 H72 B F24 Rh4 S4 -","- C72 H72 B F24 Rh4 S4 -","- C144 H144 B2 F48 Rh8 S8 -","2","0.5","","Mutoh, Yuichiro; Sakigawara, Masahiro; Niiyama, Ippei; Saito, Shinichi; Ishii, Youichi","Synthesis of Rhodium‒Primary Thioamide Complexes and Their Desulfurization Leading to Rhodium Sulfido Cubane-Type Clusters and Nitriles","Organometallics","2014","33","19","5414","","10.1021/om500714c","","","0.71075","MoKα","","0.0627","0.0534","","","0.13","0.1372","","","","","","1.077","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084395","11.385","0.003","12.25","0.003","20.256","0.004","92.265","0.004","95.877","0.004","91.883","0.003","2806","1.2","123.15","","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H72 F12 O2 P2 Rh4 S4 -","- C46 H72 F12 O2 P2 Rh4 S4 -","- C92 H144 F24 O4 P4 Rh8 S8 -","2","1","","Mutoh, Yuichiro; Sakigawara, Masahiro; Niiyama, Ippei; Saito, Shinichi; Ishii, Youichi","Synthesis of Rhodium‒Primary Thioamide Complexes and Their Desulfurization Leading to Rhodium Sulfido Cubane-Type Clusters and Nitriles","Organometallics","2014","33","19","5414","","10.1021/om500714c","","","0.71075","MoKα","","0.0653","0.0499","","","0.113","0.1269","","","","","","1.12","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084396","15.1313","0.0011","19.3528","0.0015","20.3678","0.0014","83.607","0.003","78.513","0.003","72.514","0.002","5566.3","0.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C107 H90.55 B2 F48 O0.45 Rh4 S4 -","- C107 H90.554 B2 F48 O0.446 Rh4 S4 -","- C214 H181.108 B4 F96 O0.892 Rh8 S8 -","2","1","","Mutoh, Yuichiro; Sakigawara, Masahiro; Niiyama, Ippei; Saito, Shinichi; Ishii, Youichi","Synthesis of Rhodium‒Primary Thioamide Complexes and Their Desulfurization Leading to Rhodium Sulfido Cubane-Type Clusters and Nitriles","Organometallics","2014","33","19","5414","","10.1021/om500714c","","","0.71075","MoKα","","0.0757","0.062","","","0.1307","0.1436","","","","","","1.03","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084397","16.619","0.009","15.883","0.009","19.244","0.011","90","","104.316","0.007","90","","4922","5","123.15","","123.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 F6 O4 Rh4 S4 -","- C44 H60 F6 O4 Rh4 S4 -","- C176 H240 F24 O16 Rh16 S16 -","4","0.5","","Mutoh, Yuichiro; Sakigawara, Masahiro; Niiyama, Ippei; Saito, Shinichi; Ishii, Youichi","Synthesis of Rhodium‒Primary Thioamide Complexes and Their Desulfurization Leading to Rhodium Sulfido Cubane-Type Clusters and Nitriles","Organometallics","2014","33","19","5414","","10.1021/om500714c","","","0.71075","MoKα","","0.068","0.051","","","0.1245","0.1371","","","","","","1.083","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084398","42.88","0.011","12.827","0.003","30.653","0.007","90","","92.169","0.005","90","","16848","7","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H85 B F24 N Rh4 S4 -","- C82 H85 B F24 N Rh4 S4 -","- C656 H680 B8 F192 N8 Rh32 S32 -","8","1","","Mutoh, Yuichiro; Sakigawara, Masahiro; Niiyama, Ippei; Saito, Shinichi; Ishii, Youichi","Synthesis of Rhodium‒Primary Thioamide Complexes and Their Desulfurization Leading to Rhodium Sulfido Cubane-Type Clusters and Nitriles","Organometallics","2014","33","19","5414","","10.1021/om500714c","","","0.7107","MoKα","","0.2131","0.1562","","","0.238","0.264","","","","","","1.24","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084399","13.4181","0.0004","9.1637","0.0007","15.0653","0.0003","90","","99.927","0.002","90","","1824.69","0.15","291","2","291","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C19 H18 Br N2 Ni P -","- C19 H18 Br N2 Ni P -","- C76 H72 Br4 N8 Ni4 P4 -","4","1","","Yang, Xia; Wang, Zhong-Xia","Mono- and Dinuclear Pincer Nickel Catalyzed Activation and Transformation of C‒Cl, C‒N, and C‒O Bonds","Organometallics","2014","33","20","5863","","10.1021/om500452c","","","1.54184","CuKα","","0.0562","0.0515","","","0.1465","0.1539","","","","","","1.052","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084400","9.1523","0.0005","10.7455","0.0006","13.6003","0.0006","90.564","0.004","106.169","0.004","113.619","0.005","1165.76","0.12","290","2","290","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H38 Br2 Cl6 N4 Ni2 P2 -","- C41 H38 Br2 Cl6 N4 Ni2 P2 -","- C41 H38 Br2 Cl6 N4 Ni2 P2 -","1","0.5","","Yang, Xia; Wang, Zhong-Xia","Mono- and Dinuclear Pincer Nickel Catalyzed Activation and Transformation of C‒Cl, C‒N, and C‒O Bonds","Organometallics","2014","33","20","5863","","10.1021/om500452c","","","1.54184","CuKα","","0.054","0.049","","","0.135","0.142","","","","","","1.026","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084401","10.067","0.003","15.738","0.003","21.28","0.005","90","","100.135","0.004","90","","3318.9","1.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 Br2 Cl2 N Ni P -","- C31 H40 Br2 Cl2 N Ni P -","- C124 H160 Br8 Cl8 N4 Ni4 P4 -","4","1","","Takeuchi, Katsuhiko; Minami, Ataru; Nakajima, Yumiko; Ozawa, Fumiyuki","Synthesis and Structures of Nickel Complexes with a PN-Chelate Phosphaalkene Ligand","Organometallics","2014","33","19","5365","","10.1021/om500685x","","","0.7107","MoKα","","0.0986","0.057","","","0.1411","0.171","","","","","","0.864","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084402","17.421","0.003","21.212","0.004","34.351","0.006","90","","90","","90","","12694","4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C61.84 H76.61 Br2 N2 Ni2 O0.46 P2 -","- C61.844 H76.61 Br2 N2 Ni2 O0.461 P2 -","- C494.752 H612.88 Br16 N16 Ni16 O3.688 P16 -","8","1","","Takeuchi, Katsuhiko; Minami, Ataru; Nakajima, Yumiko; Ozawa, Fumiyuki","Synthesis and Structures of Nickel Complexes with a PN-Chelate Phosphaalkene Ligand","Organometallics","2014","33","19","5365","","10.1021/om500685x","","","0.7107","MoKα","","0.1349","0.0798","","","0.1868","0.2166","","","","","","1.058","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084403","8.8649","0.0018","17.627","0.004","18.778","0.004","90","","90","","90","","2934.3","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 N Ni P -","- C32 H44 N Ni P -","- C128 H176 N4 Ni4 P4 -","4","1","","Takeuchi, Katsuhiko; Minami, Ataru; Nakajima, Yumiko; Ozawa, Fumiyuki","Synthesis and Structures of Nickel Complexes with a PN-Chelate Phosphaalkene Ligand","Organometallics","2014","33","19","5365","","10.1021/om500685x","","","0.7107","MoKα","","0.0609","0.0498","","","0.1265","0.1378","","","","","","0.829","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084404","20.116","0.004","9.537","0.0014","21.627","0.004","90","","110.914","0.002","90","","3875.7","1.2","93","2","93","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H60 N Ni P Si2 -","- C38 H60 N Ni P Si2 -","- C152 H240 N4 Ni4 P4 Si8 -","4","1","","Takeuchi, Katsuhiko; Minami, Ataru; Nakajima, Yumiko; Ozawa, Fumiyuki","Synthesis and Structures of Nickel Complexes with a PN-Chelate Phosphaalkene Ligand","Organometallics","2014","33","19","5365","","10.1021/om500685x","","","0.71075","MoKα","","0.0575","0.0489","","","0.1459","0.1569","","","","","","1.128","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084405","10.5075","0.0012","16.4116","0.0019","20.374","0.002","90","","90","","90","","3513.4","0.7","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H49 Br N Ni P Si -","- C34 H49 Br N Ni P Si -","- C136 H196 Br4 N4 Ni4 P4 Si4 -","4","1","","Takeuchi, Katsuhiko; Minami, Ataru; Nakajima, Yumiko; Ozawa, Fumiyuki","Synthesis and Structures of Nickel Complexes with a PN-Chelate Phosphaalkene Ligand","Organometallics","2014","33","19","5365","","10.1021/om500685x","","","0.71075","MoKα","","0.0276","0.0268","","","0.072","0.0727","","","","","","1.104","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084406","11.8547","0.0002","12.0214","0.0002","25.0457","0.0006","90","","90","","90","","3569.26","0.12","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H47 Cl N2 O2 Ru S -","- C38 H47 Cl N2 O2 Ru S -","- C152 H188 Cl4 N8 O8 Ru4 S4 -","4","1","","Hodgkinson, Roy; Jurčík, Václav; Zanotti-Gerosa, Antonio; Nedden, Hans Günter; Blackaby, Andrew; Clarkson, Guy J.; Wills, Martin","Synthesis and Catalytic Applications of an Extended Range of Tethered Ruthenium(II)/η6-Arene/Diamine Complexes","Organometallics","2014","33","19","5517","","10.1021/om500788t","","","0.71073","MoKα","","0.0518","0.0418","","","0.0797","0.0832","","","","","","1.028","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084407","8.0742","0.0003","9.8625","0.0004","13.4732","0.0006","72.926","0.003","76.381","0.003","72.528","0.003","965.44","0.07","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H23 Br N O2 P S -","- C20 H23 Br N O2 P S -","- C40 H46 Br2 N2 O4 P2 S2 -","2","1","","Wang, Lili; Ganguly, Rakesh; Mathey, François","Revisiting the Chemistry of Phosphinidene Sulfides","Organometallics","2014","33","19","5614","","10.1021/om500828n","","","0.71073","MoKα","","0.0737","0.0462","","","0.0972","0.109","","","","","","1.045","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084408","8.2214","0.0003","11.0575","0.0004","11.3306","0.0004","71.1062","0.0014","76.9129","0.0015","86.0001","0.0014","949.23","0.06","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 O5 P S W -","- C17 H15 O5 P S W -","- C34 H30 O10 P2 S2 W2 -","2","1","","Wang, Lili; Ganguly, Rakesh; Mathey, François","Revisiting the Chemistry of Phosphinidene Sulfides","Organometallics","2014","33","19","5614","","10.1021/om500828n","","","0.71073","MoKα","","0.0254","0.0226","","","0.0557","0.0571","","","","","","1.068","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084409","8.2807","0.0011","9.2592","0.0012","10.5079","0.0012","96.082","0.006","92.159","0.007","98.496","0.007","791.18","0.17","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 P2 S2 -","- C17 H16 P2 S2 -","- C34 H32 P4 S4 -","2","1","","Wang, Lili; Ganguly, Rakesh; Mathey, François","Revisiting the Chemistry of Phosphinidene Sulfides","Organometallics","2014","33","19","5614","","10.1021/om500828n","","","0.71073","MoKα","","0.133","0.0599","","","0.1233","0.1612","","","","","","0.991","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084410","8.8158","0.0004","10.3881","0.0004","30.0466","0.001","91.414","0.003","92.563","0.004","106.655","0.003","2631.55","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H29 N3 O2 -","- C32 H29 N3 O2 -","- C128 H116 N12 O8 -","4","2","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Depalladation of Neutral Monoalkyne- and Dialkyne-Inserted Palladacycles and Alkyne Insertion/Depalladation Reactions of Cationic Palladacycles Derived fromN,N′,N″-Triarylguanidines as Facile Routes for Guanidine-Containing Heterocycles/Carbocycles: Synthetic, Structural, and Mechanistic Aspects","Organometallics","2014","33","19","5554","","10.1021/om500837v","","","0.71073","MoKα","","0.0752","0.0661","","","0.1424","0.1465","","","","","","1.189","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084411","7.7151","0.0007","13.1196","0.0008","23.578","0.0019","79.671","0.006","81.441","0.007","79.384","0.006","2291.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H46 N6 O12 -","- C54 H38 N6 O12 -","- C108 H76 N12 O24 -","2","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Depalladation of Neutral Monoalkyne- and Dialkyne-Inserted Palladacycles and Alkyne Insertion/Depalladation Reactions of Cationic Palladacycles Derived fromN,N′,N″-Triarylguanidines as Facile Routes for Guanidine-Containing Heterocycles/Carbocycles: Synthetic, Structural, and Mechanistic Aspects","Organometallics","2014","33","19","5554","","10.1021/om500837v","","","0.71073","MoKα","","0.1123","0.0848","","","0.1879","0.2032","","","","","","1.105","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084412","19.7129","0.0014","12.4378","0.0007","16.105","0.0011","90","","110.329","0.008","90","","3702.8","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H37 N3 O7 -","- C42 H34 N3 O7 -","- C168 H136 N12 O28 -","4","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Depalladation of Neutral Monoalkyne- and Dialkyne-Inserted Palladacycles and Alkyne Insertion/Depalladation Reactions of Cationic Palladacycles Derived fromN,N′,N″-Triarylguanidines as Facile Routes for Guanidine-Containing Heterocycles/Carbocycles: Synthetic, Structural, and Mechanistic Aspects","Organometallics","2014","33","19","5554","","10.1021/om500837v","","","0.71073","MoKα","","0.07","0.0584","","","0.1629","0.1724","","","","","","1.043","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084413","10.1687","0.0003","11.5076","0.0004","14.309","0.0004","71.743","0.003","79.641","0.003","68.989","0.004","1480.08","0.09","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C26 H28 B F4 N5 O3 Pd -","- C26 H28 B F4 N5 O3 Pd -","- C52 H56 B2 F8 N10 O6 Pd2 -","2","2","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Depalladation of Neutral Monoalkyne- and Dialkyne-Inserted Palladacycles and Alkyne Insertion/Depalladation Reactions of Cationic Palladacycles Derived fromN,N′,N″-Triarylguanidines as Facile Routes for Guanidine-Containing Heterocycles/Carbocycles: Synthetic, Structural, and Mechanistic Aspects","Organometallics","2014","33","19","5554","","10.1021/om500837v","","","0.71073","MoKα","","0.0405","0.0383","","","0.1094","0.1119","","","","","","1.057","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084414","21.9594","0.0008","15.8899","0.0006","7.4894","0.0003","90","","90","","90","","2613.3","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 B F4 N5 Pd -","- C26 H21 B F4 N5 Pd -","- C104 H84 B4 F16 N20 Pd4 -","4","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Depalladation of Neutral Monoalkyne- and Dialkyne-Inserted Palladacycles and Alkyne Insertion/Depalladation Reactions of Cationic Palladacycles Derived fromN,N′,N″-Triarylguanidines as Facile Routes for Guanidine-Containing Heterocycles/Carbocycles: Synthetic, Structural, and Mechanistic Aspects","Organometallics","2014","33","19","5554","","10.1021/om500837v","","","0.71073","MoKα","","0.0408","0.0381","","","0.0977","0.0989","","","","","","1.048","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4084415","18.8571","0.0012","8.2491","0.0005","17.0267","0.001","90","","90","","90","","2648.6","0.3","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H26 B F4 N3 O3 -","- C29 H26 B F4 N3 O3 -","- C116 H104 B4 F16 N12 O12 -","4","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Depalladation of Neutral Monoalkyne- and Dialkyne-Inserted Palladacycles and Alkyne Insertion/Depalladation Reactions of Cationic Palladacycles Derived fromN,N′,N″-Triarylguanidines as Facile Routes for Guanidine-Containing Heterocycles/Carbocycles: Synthetic, Structural, and Mechanistic Aspects","Organometallics","2014","33","19","5554","","10.1021/om500837v","","","0.71073","MoKα","","0.0783","0.0635","","","0.1557","0.1655","","","","","","1.037","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084416","40.477","0.004","9.066","0.0004","30.054","0.003","90","","128.495","0.014","90","","8632","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H45 B F4 N3 O1.5 -","- C50 H42 B F4 N3 -","- C400 H336 B8 F32 N24 -","8","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Depalladation of Neutral Monoalkyne- and Dialkyne-Inserted Palladacycles and Alkyne Insertion/Depalladation Reactions of Cationic Palladacycles Derived fromN,N′,N″-Triarylguanidines as Facile Routes for Guanidine-Containing Heterocycles/Carbocycles: Synthetic, Structural, and Mechanistic Aspects","Organometallics","2014","33","19","5554","","10.1021/om500837v","","","0.71073","MoKα","","0.0961","0.0647","","","0.1613","0.1752","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084417","11.831","0.0003","11.831","0.0003","9.8294","0.0003","90","","90","","90","","1375.85","0.06","298","2","298","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","0.5","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Depalladation of Neutral Monoalkyne- and Dialkyne-Inserted Palladacycles and Alkyne Insertion/Depalladation Reactions of Cationic Palladacycles Derived fromN,N′,N″-Triarylguanidines as Facile Routes for Guanidine-Containing Heterocycles/Carbocycles: Synthetic, Structural, and Mechanistic Aspects","Organometallics","2014","33","19","5554","","10.1021/om500837v","","","0.71073","MoKα","","0.0611","0.0543","","","0.1356","0.1402","","","","","","1.13","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084418","10.0494","0.0004","11.8081","0.0004","14.2552","0.0005","81.017","0.001","80.962","0.001","81.883","0.001","1638.25","0.1","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C25 H36 B F3 N9 O5 P S W -","- C25 H36 B F3 N9 O5 P S W -","- C50 H72 B2 F6 N18 O10 P2 S2 W2 -","2","1","","Pienkos, Jared A.; Knisely, Anne T.; MacLeod, Brianna L.; Myers, Jeffery T.; Shivokevich, Philip J.; Teran, Victor; Sabat, Michal; Myers, William H.; Harman, W. Dean","Double Protonation of Amino-Substituted Pyridine and Pyrimidine Tungsten Complexes: Friedel‒Crafts-like Coupling to Aromatic Heterocycles","Organometallics","2014","33","19","5464","","10.1021/om5007402","","","0.71073","MoKα","","0.0131","0.0131","","","0.0345","0.0346","","","","","","1.062","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084419","8.6401","0.0005","14.7417","0.0009","23.2643","0.0014","90","","92.321","0.003","90","","2960.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound4","","","- C27 H53 N Ni P Si -","- C27 H53 N Ni P Si -","- C108 H212 N4 Ni4 P4 Si4 -","4","1","","Lipschutz, Michael I.; Tilley, T. Don","Useful Method for the Preparation of Low-Coordinate Nickel(I) Complexes via Transformations of the Ni(I) Bis(amido) Complex K{Ni[N(SiMe3)(2,6- (i) Pr2-C6H3)]2}","Organometallics","2014","33","19","5566","5570","10.1021/om500849u","","","0.71073","MoKα","","0.0579","0.0462","","","0.13","0.1385","","","","","","1.046","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084420","11.9515","0.0005","13.9669","0.0005","16.9287","0.0007","90","","102.477","0.001","90","","2759.09","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Compound5","","","- C24 H47 N Ni P Si -","- C24 H47 N Ni P Si -","- C96 H188 N4 Ni4 P4 Si4 -","4","1","","Lipschutz, Michael I.; Tilley, T. Don","Useful Method for the Preparation of Low-Coordinate Nickel(I) Complexes via Transformations of the Ni(I) Bis(amido) Complex K{Ni[N(SiMe3)(2,6- (i) Pr2-C6H3)]2}","Organometallics","2014","33","19","5566","5570","10.1021/om500849u","","","0.71073","MoKα","","0.0573","0.0383","","","0.0751","0.0829","","","","","","0.991","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084421","10.2622","0.0005","10.9582","0.0005","18.1585","0.0008","95.201","0.002","102.21","0.002","108.057","0.002","1870.53","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Compound6","","","- C41 H50 N Ni P2 Si -","- C41 H50 N Ni P2 Si -","- C82 H100 N2 Ni2 P4 Si2 -","2","1","","Lipschutz, Michael I.; Tilley, T. Don","Useful Method for the Preparation of Low-Coordinate Nickel(I) Complexes via Transformations of the Ni(I) Bis(amido) Complex K{Ni[N(SiMe3)(2,6- (i) Pr2-C6H3)]2}","Organometallics","2014","33","19","5566","5570","10.1021/om500849u","","","0.71073","MoKα","","0.0551","0.048","","","0.1072","0.1119","","","","","","1.042","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084422","18.329","0.005","19.847","0.005","20.428","0.005","109.439","0.005","106.744","0.005","96.811","0.005","6518","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Compound7","","","- C42 H59 N2 Ni O -","- C42 H59 N2 Ni O -","- C252 H354 N12 Ni6 O6 -","6","3","","Lipschutz, Michael I.; Tilley, T. Don","Useful Method for the Preparation of Low-Coordinate Nickel(I) Complexes via Transformations of the Ni(I) Bis(amido) Complex K{Ni[N(SiMe3)(2,6- (i) Pr2-C6H3)]2}","Organometallics","2014","33","19","5566","5570","10.1021/om500849u","","","0.71073","MoKα","","0.0924","0.0552","","","0.1287","0.1395","","","","","","1.094","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084423","9.7648","0.0007","16.4415","0.0012","16.7346","0.0012","90","","103.794","0.003","90","","2609.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound8","","","- C27 H50 Ni O P -","- C27 H50 Ni O P -","- C108 H200 Ni4 O4 P4 -","4","1","","Lipschutz, Michael I.; Tilley, T. Don","Useful Method for the Preparation of Low-Coordinate Nickel(I) Complexes via Transformations of the Ni(I) Bis(amido) Complex K{Ni[N(SiMe3)(2,6- (i) Pr2-C6H3)]2}","Organometallics","2014","33","19","5566","5570","10.1021/om500849u","","","0.71073","MoKα","","0.0264","0.0231","","","0.0571","0.059","","","","","","1.044","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084424","27.0319","0.001","11.1259","0.0003","22.0484","0.0008","90","","92.614","0.003","90","","6624.2","0.4","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H36 Cl N3 O3.5 Pd -","- C36 H24 Cl N3 O3.5 Pd -","- C288 H192 Cl8 N24 O28 Pd8 -","8","2","","He, Jianyun; Liu, Zhanxiong; Du, Gaixia; Fu, Yinxia; Zhang, Shaowen; Li, Xiaofang","Chiral Palladium(II) and Nickel(II) Complexes withC2-Symmetrical Tridentate Bis(oxazoline) Ligands: Synthesis, Characterization, and Catalytic Norbornene Polymerization","Organometallics","2014","33","21","6103","","10.1021/om5007616","","","0.71073","MoKα","","0.0671","0.0484","","","0.1152","0.1266","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084425","9.2393","0.0007","14.5649","0.0014","19.245","0.003","90","","90","","90","","2589.8","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cl N3 Ni O2 -","- C30 H24 Cl N3 Ni O2 -","- C120 H96 Cl4 N12 Ni4 O8 -","4","1","","He, Jianyun; Liu, Zhanxiong; Du, Gaixia; Fu, Yinxia; Zhang, Shaowen; Li, Xiaofang","Chiral Palladium(II) and Nickel(II) Complexes withC2-Symmetrical Tridentate Bis(oxazoline) Ligands: Synthesis, Characterization, and Catalytic Norbornene Polymerization","Organometallics","2014","33","21","6103","","10.1021/om5007616","","","0.71073","MoKα","","0.1087","0.0616","","","0.0893","0.1056","","","","","","1.008","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084426","27.3015","0.0011","10.5384","0.0005","16.267","0.0007","90","","96.011","0.002","90","","4654.5","0.4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 I2 O4 P4 Rh2 -","- C40 H68 I2 O4 P4 Rh2 -","- C160 H272 I8 O16 P16 Rh8 -","4","1","","Timpa, Samuel D.; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Potential Carbon‒Fluorine Reductive Elimination from Pincer-Supported Rh(III) and Dominating Side Reactions: Theoretical and Experimental Examination","Organometallics","2014","33","21","6210","","10.1021/om5008902","","","1.54178","CuKα","","0.033","0.0276","","","0.0641","0.0653","","","","","","1.081","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084427","12.411","0.007","16.436","0.009","17.215","0.01","90","","95.306","0.006","90","","3497","3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(POCOP)Rh(CHCH2)(OtBu)","","","- C32 H59 O3 P2 Rh -","- C32 H59 O3 P2 Rh -","- C128 H236 O12 P8 Rh4 -","4","1","","Timpa, Samuel D.; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Potential Carbon‒Fluorine Reductive Elimination from Pincer-Supported Rh(III) and Dominating Side Reactions: Theoretical and Experimental Examination","Organometallics","2014","33","21","6210","","10.1021/om5008902","","","0.71073","MoKα","","0.0398","0.0291","","","0.0511","0.0532","","","","","","0.897","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4084428","14.384","0.004","11.183","0.003","20.418","0.006","90","","108.941","0.003","90","","3106.5","1.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[(POCOP)Rh(CH2CHCCCHCH2)Rh(POCOP)]","","","- C58 H100 O4 P4 Rh2 -","- C58 H100 O4 P4 Rh2 -","- C116 H200 O8 P8 Rh4 -","2","0.5","","Timpa, Samuel D.; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Potential Carbon‒Fluorine Reductive Elimination from Pincer-Supported Rh(III) and Dominating Side Reactions: Theoretical and Experimental Examination","Organometallics","2014","33","21","6210","","10.1021/om5008902","","","0.71073","MoKα","","0.07","0.0594","","","0.1561","0.1594","","","","","","1.199","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084429","15.0024","0.0005","17.9114","0.0006","19.6456","0.0007","90","","111.232","0.001","90","","4920.7","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(L2)Rh(crotyl)","","","- C56 H55 O10 P2 Rh -","- C56 H55 O10 P2 Rh -","- C224 H220 O40 P8 Rh4 -","4","1","","Schmidt, Sebastian; Baráth, Eszter; Prommnitz, Tanja; Rosendahl, Tobias; Rominger, Frank; Hofmann, Peter","Synthesis and Characterization of Crotyl Intermediates in Rh-Catalyzed Hydroformylation of 1,3-Butadiene","Organometallics","2014","33","21","6018","","10.1021/om500643t","","","0.71073","MoKα","","0.0723","0.0429","","","0.1022","0.1174","","","","","","1.027","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084430","11.7727","0.0014","12.997","0.0016","16.418","0.002","67.793","0.003","80.861","0.003","84.41","0.003","2294.3","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","(L3)Rh(crotyl)","","","- C51 H45 Cl4 O6 P2 Rh -","- C51 H45 Cl4 O6 P2 Rh -","- C102 H90 Cl8 O12 P4 Rh2 -","2","1","","Schmidt, Sebastian; Baráth, Eszter; Prommnitz, Tanja; Rosendahl, Tobias; Rominger, Frank; Hofmann, Peter","Synthesis and Characterization of Crotyl Intermediates in Rh-Catalyzed Hydroformylation of 1,3-Butadiene","Organometallics","2014","33","21","6018","","10.1021/om500643t","","","0.71073","MoKα","","0.0913","0.0735","","","0.1877","0.1987","","","","","","1.102","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084431","15.162","0.002","22.034","0.003","30.43","0.004","90","","90","","90","","10166","2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(L2)Rh(crotyl)(CO)","","","- C57 H55 O11 P2 Rh -","- C57 H55 O11 P2 Rh -","- C456 H440 O88 P16 Rh8 -","8","1","","Schmidt, Sebastian; Baráth, Eszter; Prommnitz, Tanja; Rosendahl, Tobias; Rominger, Frank; Hofmann, Peter","Synthesis and Characterization of Crotyl Intermediates in Rh-Catalyzed Hydroformylation of 1,3-Butadiene","Organometallics","2014","33","21","6018","","10.1021/om500643t","","","0.71073","MoKα","","0.1037","0.079","","","0.1411","0.1499","","","","","","1.217","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084432","16.0276","0.0003","18.0936","0.0005","19.4178","0.0005","90","","99.298","0.001","90","","5557.1","0.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 F6 P Ru Si2 -","- C25 H29 F6 P Ru Si2 -","- C200 H232 F48 P8 Ru8 Si16 -","8","2","","Makhoul, Rim; Shaw-Taberlet, Jennifer A.; Sahnoune, Hiba; Dorcet, Vincent; Kahlal, Samia; Halet, Jean-François; Hamon, Jean-René; Lapinte, Claude","Complexation of the (η5-Cp)Ru+and (η5-Cp*)Ru+Arenophiles on Alkynylnaphthalene: Solvent Effect on the Regioselectivity and the Haptotropic Rearrangement","Organometallics","2014","33","21","6023","","10.1021/om500654d","","x-ray","0.71073","MoKα","","0.0717","0.0472","","","0.1077","0.1223","","","","","","1.01","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084433","9.179","0.006","16.871","0.011","18.287","0.011","90","","92.12","0.008","90","","2830","3","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 S Sn -","- C36 H28 S Sn -","- C144 H112 S4 Sn4 -","4","1","","Athukorala Arachchige, Kasun S.; Diamond, Louise M.; Knight, Fergus R.; Lechner, Marie-Luise; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthetic, Structural, and Spectroscopic Studies of Sterically Crowded Tin‒Chalcogen Acenaphthenes","Organometallics","2014","33","21","6089","","10.1021/om500755w","","","0.71075","MoKα","","","0.0469","","","","0.0948","","","","","","1.172","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084434","9.223","0.005","16.74","0.008","18.435","0.008","90","","91.963","0.006","90","","2845","2","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Se Sn -","- C36 H28 Se Sn -","- C144 H112 Se4 Sn4 -","4","1","","Athukorala Arachchige, Kasun S.; Diamond, Louise M.; Knight, Fergus R.; Lechner, Marie-Luise; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthetic, Structural, and Spectroscopic Studies of Sterically Crowded Tin‒Chalcogen Acenaphthenes","Organometallics","2014","33","21","6089","","10.1021/om500755w","","","0.71075","MoKα","","","0.0457","","","","0.0885","","","","","","1.156","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084435","14.0162","0.0018","14.8249","0.0019","14.3636","0.0019","90","","103.616","0.004","90","","2900.7","0.7","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Sn Te -","- C36 H28 Sn Te -","- C144 H112 Sn4 Te4 -","4","1","","Athukorala Arachchige, Kasun S.; Diamond, Louise M.; Knight, Fergus R.; Lechner, Marie-Luise; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthetic, Structural, and Spectroscopic Studies of Sterically Crowded Tin‒Chalcogen Acenaphthenes","Organometallics","2014","33","21","6089","","10.1021/om500755w","","","0.71075","MoKα","","","0.0454","","","","0.1415","","","","","","1.111","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084436","31.347","0.003","9.5789","0.0009","17.9303","0.0018","90","","90","","90","","5383.9","0.9","125","","125","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H28 S Sn -","- C32 H28 S Sn -","- C256 H224 S8 Sn8 -","8","1","","Athukorala Arachchige, Kasun S.; Diamond, Louise M.; Knight, Fergus R.; Lechner, Marie-Luise; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthetic, Structural, and Spectroscopic Studies of Sterically Crowded Tin‒Chalcogen Acenaphthenes","Organometallics","2014","33","21","6089","","10.1021/om500755w","","","0.71075","MoKα","","0.066","0.0415","","","0.118","0.1391","","","","","","1.061","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084437","10.8028","0.0012","12.2018","0.0014","19.344","0.002","86.738","0.007","79.174","0.006","82.691","0.007","2482.6","0.5","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 Cl S Sn -","- C30 H23 Cl S Sn -","- C120 H92 Cl4 S4 Sn4 -","4","2","","Athukorala Arachchige, Kasun S.; Diamond, Louise M.; Knight, Fergus R.; Lechner, Marie-Luise; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthetic, Structural, and Spectroscopic Studies of Sterically Crowded Tin‒Chalcogen Acenaphthenes","Organometallics","2014","33","21","6089","","10.1021/om500755w","","","0.71075","MoKα","","0.0661","0.0526","","","0.1129","0.1206","","","","","","1.094","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084438","10.893","0.004","10.945","0.004","12.394","0.004","102.98","0.007","96.595","0.007","118.084","0.008","1227.8","0.8","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 Cl Se Sn -","- C30 H23 Cl Se Sn -","- C60 H46 Cl2 Se2 Sn2 -","2","1","","Athukorala Arachchige, Kasun S.; Diamond, Louise M.; Knight, Fergus R.; Lechner, Marie-Luise; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthetic, Structural, and Spectroscopic Studies of Sterically Crowded Tin‒Chalcogen Acenaphthenes","Organometallics","2014","33","21","6089","","10.1021/om500755w","","","0.71075","MoKα","","","0.0931","","","","0.1473","","","","","","1.068","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084439","10.931","0.004","11.186","0.004","19.577","0.008","90","","95.331","0.005","90","","2383.4","1.6","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Cl S Sn -","- C26 H31 Cl S Sn -","- C104 H124 Cl4 S4 Sn4 -","4","1","","Athukorala Arachchige, Kasun S.; Diamond, Louise M.; Knight, Fergus R.; Lechner, Marie-Luise; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthetic, Structural, and Spectroscopic Studies of Sterically Crowded Tin‒Chalcogen Acenaphthenes","Organometallics","2014","33","21","6089","","10.1021/om500755w","","","0.71075","MoKα","","","0.033","","","","0.0757","","","","","","1.121","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084440","11.126","0.003","11.304","0.003","19.508","0.004","90","","96.212","0.009","90","","2439.1","1.1","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Cl Se Sn -","- C26 H31 Cl Se Sn -","- C104 H124 Cl4 Se4 Sn4 -","4","1","","Athukorala Arachchige, Kasun S.; Diamond, Louise M.; Knight, Fergus R.; Lechner, Marie-Luise; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthetic, Structural, and Spectroscopic Studies of Sterically Crowded Tin‒Chalcogen Acenaphthenes","Organometallics","2014","33","21","6089","","10.1021/om500755w","","","0.71075","MoKα","","","0.0557","","","","0.1092","","","","","","1.052","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084441","9.627","0.002","10.451","0.003","11.881","0.003","94.473","0.007","111.675","0.008","95.075","0.007","1098.6","0.5","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H31 Cl S Sn -","- C22 H31 Cl S Sn -","- C44 H62 Cl2 S2 Sn2 -","2","1","","Athukorala Arachchige, Kasun S.; Diamond, Louise M.; Knight, Fergus R.; Lechner, Marie-Luise; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthetic, Structural, and Spectroscopic Studies of Sterically Crowded Tin‒Chalcogen Acenaphthenes","Organometallics","2014","33","21","6089","","10.1021/om500755w","","","0.71075","MoKα","","","0.0402","","","","0.103","","","","","","0.899","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084442","10.0908","0.0017","17.466","0.003","21.113","0.004","90","","101.996","0.008","90","","3639.8","1.1","125","","125","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H40 Cl2 O S2 Sn -","- C43 H34 Cl2 O S2 Sn -","- C172 H136 Cl8 O4 S8 Sn4 -","4","1","","Athukorala Arachchige, Kasun S.; Diamond, Louise M.; Knight, Fergus R.; Lechner, Marie-Luise; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthetic, Structural, and Spectroscopic Studies of Sterically Crowded Tin‒Chalcogen Acenaphthenes","Organometallics","2014","33","21","6089","","10.1021/om500755w","","","0.71075","MoKα","","0.1114","0.0542","","","0.1192","0.1574","","","","","","0.897","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084443","12.407","0.005","12.099","0.004","24.697","0.009","90","","102.376","0.004","90","","3621","2","125","","125","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 S2 Sn -","- C48 H36 S2 Sn -","- C192 H144 S8 Sn4 -","4","1","","Athukorala Arachchige, Kasun S.; Diamond, Louise M.; Knight, Fergus R.; Lechner, Marie-Luise; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthetic, Structural, and Spectroscopic Studies of Sterically Crowded Tin‒Chalcogen Acenaphthenes","Organometallics","2014","33","21","6089","","10.1021/om500755w","","","0.71075","MoKα","","","0.0333","","","","0.0775","","","","","","1.112","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084444","15.932","0.01","7.746","0.005","18.895","0.011","90","","99.008","0.015","90","","2303","2","125","","125","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Br S -","- C14 H13 Br S -","- C112 H104 Br8 S8 -","8","1","","Athukorala Arachchige, Kasun S.; Diamond, Louise M.; Knight, Fergus R.; Lechner, Marie-Luise; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthetic, Structural, and Spectroscopic Studies of Sterically Crowded Tin‒Chalcogen Acenaphthenes","Organometallics","2014","33","21","6089","","10.1021/om500755w","","","0.71075","MoKα","","","0.0656","","","","0.1962","","","","","","1.215","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084454","11.2355","0.0009","13.5693","0.001","17.3504","0.0013","90","","107.53","0.001","90","","2522.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Cl P2 Pd -","- C25 H37 Cl P2 Pd -","- C100 H148 Cl4 P8 Pd4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Synthesis and Reactivity of a Nucleophilic Palladium(II) Carbene","Organometallics","2014","33","21","6059","","10.1021/om500682s","","","0.71073","MoKα","","0.0244","0.0203","","","0.0473","0.0485","","","","","","1.071","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084455","17.038","0.003","9.1693","0.0014","19.255","0.003","90","","111.415","0.002","90","","2800.5","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H45 P3 Pd -","- C28 H45 P3 Pd -","- C112 H180 P12 Pd4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Synthesis and Reactivity of a Nucleophilic Palladium(II) Carbene","Organometallics","2014","33","21","6059","","10.1021/om500682s","","","0.71073","MoKα","","0.0536","0.0399","","","0.0856","0.0889","","","","","","1.073","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084456","10.6451","0.0006","19.8859","0.0011","20.3451","0.0012","90","","102.154","0.0008","90","","4210.3","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H59 P3 Pd -","- C50 H59 P3 Pd -","- C200 H236 P12 Pd4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Synthesis and Reactivity of a Nucleophilic Palladium(II) Carbene","Organometallics","2014","33","21","6059","","10.1021/om500682s","","","0.71073","MoKα","","0.0235","0.0209","","","0.0539","0.0555","","","","","","1.054","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084457","14.7756","0.0018","12.1643","0.0015","14.8269","0.0018","90","","90","","90","","2664.9","0.6","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H39 I P2 Pd -","- C26 H39 I P2 Pd -","- C104 H156 I4 P8 Pd4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Synthesis and Reactivity of a Nucleophilic Palladium(II) Carbene","Organometallics","2014","33","21","6059","","10.1021/om500682s","","","0.71073","MoKα","","0.0179","0.016","","","0.0364","0.0371","","","","","","1.029","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084458","9.3988","0.001","15.9775","0.0016","9.8203","0.001","90","","118.242","0.0015","90","","1299.2","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H40 O P2 Pd -","- C26 H40 O P2 Pd -","- C52 H80 O2 P4 Pd2 -","2","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Synthesis and Reactivity of a Nucleophilic Palladium(II) Carbene","Organometallics","2014","33","21","6059","","10.1021/om500682s","","","0.71073","MoKα","","0.0563","0.0516","","","0.1239","0.1267","","","","","","1.106","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084459","10.6205","0.0012","13.0337","0.0014","21.568","0.002","90","","96.867","0.002","90","","2964.1","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 N P2 Pd -","- C32 H45 N P2 Pd -","- C128 H180 N4 P8 Pd4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Synthesis and Reactivity of a Nucleophilic Palladium(II) Carbene","Organometallics","2014","33","21","6059","","10.1021/om500682s","","","0.71073","MoKα","","0.0242","0.0198","","","0.0483","0.0502","","","","","","1.031","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084460","19.9832","0.0012","24.0188","0.0017","9.3809","0.0007","90","","90","","90","","4502.6","0.5","103","2","103","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C51 H48 Cl3 O P3 Pt -","- C51 H48 Cl3 O P3 Pt -","- C204 H192 Cl12 O4 P12 Pt4 -","4","1","","Jia, Yu-Xiang; Li, Bin-Bin; Li, Yongxin; Pullarkat, Sumod A.; Xu, Kai; Hirao, Hajime; Leung, Pak-Hing","Stereoelectronic and Catalytic Properties of Chiral Cyclometalated Phospha-palladium and -platinum Complexes","Organometallics","2014","33","21","6053","","10.1021/om500662q","","","0.71073","","","0.0581","0.0458","","","0.0709","0.0746","","","","","","0.93","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084461","10.1395","0.0009","18.1137","0.0015","21.122","0.002","90","","90","","90","","3879.3","0.6","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 Cl3 N P2 Pt -","- C41 H42 Cl3 N P2 Pt -","- C164 H168 Cl12 N4 P8 Pt4 -","4","1","","Jia, Yu-Xiang; Li, Bin-Bin; Li, Yongxin; Pullarkat, Sumod A.; Xu, Kai; Hirao, Hajime; Leung, Pak-Hing","Stereoelectronic and Catalytic Properties of Chiral Cyclometalated Phospha-palladium and -platinum Complexes","Organometallics","2014","33","21","6053","","10.1021/om500662q","","","0.71073","","","0.0884","0.0526","","","0.0909","0.1006","","","","","","0.983","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084462","12.5229","0.0005","13.2329","0.0005","14.4569","0.0005","90","","90","","90","","2395.71","0.16","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 O2 P Pt -","- C29 H27 O2 P Pt -","- C116 H108 O8 P4 Pt4 -","4","1","","Jia, Yu-Xiang; Li, Bin-Bin; Li, Yongxin; Pullarkat, Sumod A.; Xu, Kai; Hirao, Hajime; Leung, Pak-Hing","Stereoelectronic and Catalytic Properties of Chiral Cyclometalated Phospha-palladium and -platinum Complexes","Organometallics","2014","33","21","6053","","10.1021/om500662q","","","0.71073","MoKα","","0.0218","0.0196","","","0.0382","0.0387","","","","","","0.938","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084463","30.313","0.007","14.755","0.003","28.978","0.006","90","","97.712","0.002","90","","12844","5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C136 H144 F12 O14 P4 Pd4 -","- C136 H144 F12 O14 P4 Pd4 -","- C544 H576 F48 O56 P16 Pd16 -","4","0.5","","Wakioka, Masayuki; Nakamura, Yuki; Hihara, Yoshihiro; Ozawa, Fumiyuki; Sakaki, Shigeyoshi","Effects of PAr3Ligands on Direct Arylation of Heteroarenes with Isolated [Pd(2,6-Me2C6H3)(μ-O2CMe)(PAr3)]4Complexes","Organometallics","2014","33","21","6247","","10.1021/om500922n","","x-ray","0.7107","MoKα","","0.0562","0.05","","","0.1279","0.1348","","","","","","1.083","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084464","10.263","0.0004","12.7306","0.0005","15.8391","0.0006","76.909","0.0014","87.396","0.0015","81.868","0.0015","1995.2","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H63 Al Si6 -","- C27 H63 Al Si6 -","- C54 H126 Al2 Si12 -","2","1","","Rightmire, Nicholas R.; Hanusa, Timothy P.; Rheingold, Arnold L.","Mechanochemical Synthesis of [1,3-(SiMe3)2C3H3]3(Al,Sc), a Base-Free Tris(allyl)aluminum Complex and Its Scandium Analogue","Organometallics","2014","33","21","5952","","10.1021/om5009204","","","0.71073","MoKα","","0.0657","0.0438","","","0.1004","0.1115","","","","","","1.014","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084465","20.353","0.004","10.3936","0.0019","18.749","0.003","90","","90","","90","","3966.2","1.2","100","0.5","100","0.5","","","","","","","","4","P n a 21","P 2c -2n","33","hannr01","","","- C27 H63 Sc Si6 -","- C27 H63 Sc Si6 -","- C108 H252 Sc4 Si24 -","4","1","","Rightmire, Nicholas R.; Hanusa, Timothy P.; Rheingold, Arnold L.","Mechanochemical Synthesis of [1,3-(SiMe3)2C3H3]3(Al,Sc), a Base-Free Tris(allyl)aluminum Complex and Its Scandium Analogue","Organometallics","2014","33","21","5952","","10.1021/om5009204","","","0.71073","MoKα","","0.2251","0.1306","","","0.3318","0.4041","","","","","","1.189","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084466","9.718","0.002","11.391","0.002","14.751","0.003","104.84","0.02","94.15","0.02","94.58","0.02","1566.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H48 N4 Si -","- C32 H48 N4 Si -","- C64 H96 N8 Si2 -","2","1","","Laskowski, Nadine; Junold, Konstantin; Kupper, Claudia; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II): Cycloaddition Reactions with Organic 1,3-Dienes and 1,2-Diketones","Organometallics","2014","33","21","6141","","10.1021/om500787k","","","0.71073","MoKα","","0.0691","0.0504","","","0.1352","0.1433","","","","","","1.039","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084467","10.7041","0.0015","11.9861","0.0016","11.9883","0.0019","108.743","0.017","95.33","0.018","96.512","0.016","1433.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N4 Si -","- C30 H44 N4 Si -","- C60 H88 N8 Si2 -","2","1","","Laskowski, Nadine; Junold, Konstantin; Kupper, Claudia; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II): Cycloaddition Reactions with Organic 1,3-Dienes and 1,2-Diketones","Organometallics","2014","33","21","6141","","10.1021/om500787k","","","0.71073","MoKα","","0.0429","0.0344","","","0.0895","0.0932","","","","","","1.034","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084468","9.509","0.004","18.006","0.008","42.43","0.02","90","","90","","90","","7265","6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 N4 Si -","- C42 H52 N4 Si -","- C336 H416 N32 Si8 -","8","2","","Laskowski, Nadine; Junold, Konstantin; Kupper, Claudia; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II): Cycloaddition Reactions with Organic 1,3-Dienes and 1,2-Diketones","Organometallics","2014","33","21","6141","","10.1021/om500787k","","","0.71073","MoKα","","0.0512","0.0388","","","0.0766","0.0818","","","","","","1.055","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084469","10.224","0.002","10.304","0.002","20.956","0.004","85.02","0.02","79.32","0.02","69","0.02","2024.8","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H56 N4 Si -","- C44 H56 N4 Si -","- C88 H112 N8 Si2 -","2","1","","Laskowski, Nadine; Junold, Konstantin; Kupper, Claudia; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II): Cycloaddition Reactions with Organic 1,3-Dienes and 1,2-Diketones","Organometallics","2014","33","21","6141","","10.1021/om500787k","","","0.71073","MoKα","","0.0667","0.0416","","","0.1012","0.1167","","","","","","1.023","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084470","8.6898","0.0018","11.935","0.003","15.258","0.004","87.52","0.03","85.38","0.03","73.02","0.03","1508.2","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H46 N4 Si -","- C32 H46 N4 Si -","- C64 H92 N8 Si2 -","2","1","","Laskowski, Nadine; Junold, Konstantin; Kupper, Claudia; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II): Cycloaddition Reactions with Organic 1,3-Dienes and 1,2-Diketones","Organometallics","2014","33","21","6141","","10.1021/om500787k","","","0.71073","MoKα","","0.0515","0.0377","","","0.094","0.1002","","","","","","1.021","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084471","9.855","0.002","11.276","0.003","16.26","0.004","102.166","0.017","96.417","0.013","97.5","0.011","1733","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H53 N4 Si -","- C37 H53 N4 Si -","- C74 H106 N8 Si2 -","2","1","","Laskowski, Nadine; Junold, Konstantin; Kupper, Claudia; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II): Cycloaddition Reactions with Organic 1,3-Dienes and 1,2-Diketones","Organometallics","2014","33","21","6141","","10.1021/om500787k","","","0.71073","MoKα","","0.0678","0.0465","","","0.1082","0.1196","","","","","","1.031","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084472","18.552","0.005","11.089","0.009","18.878","0.013","90","","95.23","0.04","90","","3867","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 N4 O2 Si -","- C40 H58 N4 O2 Si -","- C160 H232 N16 O8 Si4 -","4","1","","Laskowski, Nadine; Junold, Konstantin; Kupper, Claudia; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II): Cycloaddition Reactions with Organic 1,3-Dienes and 1,2-Diketones","Organometallics","2014","33","21","6141","","10.1021/om500787k","","","0.71073","MoKα","","0.0595","0.0412","","","0.0928","0.1031","","","","","","1.018","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084473","13.256","0.002","9.9817","0.0019","13.766","0.002","90","","95.724","0.012","90","","1812.4","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H48 N4 O2 Si -","- C40 H48 N4 O2 Si -","- C80 H96 N8 O4 Si2 -","2","1","","Laskowski, Nadine; Junold, Konstantin; Kupper, Claudia; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II): Cycloaddition Reactions with Organic 1,3-Dienes and 1,2-Diketones","Organometallics","2014","33","21","6141","","10.1021/om500787k","","","0.71073","MoKα","","0.04","0.0337","","","0.0693","0.0724","","","","","","1.034","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084474","9.169","0.001","23.772","0.001","18.71","0.001","90","","118.751","0.003","90","","3575.4","0.5","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H47 Br2 Li N Ni O4 P -","- C34 H47 Br2 Li N Ni O4 P -","- C136 H188 Br8 Li4 N4 Ni4 O16 P4 -","4","1","","Cheisson, Thibault; Cao, Thi-Phuong-Anh; Le Goff, Xavier F.; Auffrant, Audrey","Nickel Complexes Featuring Iminophosphorane‒Phenoxide Ligands for Catalytic Ethylene Dimerization","Organometallics","2014","33","21","6193","","10.1021/om500880g","","","0.71069","MoKα","","0.0653","0.0389","","","0.0934","0.1014","","","","","","1.041","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084475","9.793","0.001","17.973","0.001","22.786","0.001","90","","114.646","0.003","90","","3645.2","0.5","150","0.1","150","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 Br1.69 Cl0.31 Li N Ni O4 P -","- C35 H49 Br1.695 Cl0.305 Li N Ni O4 P -","- C140 H196 Br6.78 Cl1.22 Li4 N4 Ni4 O16 P4 -","4","1","","Cheisson, Thibault; Cao, Thi-Phuong-Anh; Le Goff, Xavier F.; Auffrant, Audrey","Nickel Complexes Featuring Iminophosphorane‒Phenoxide Ligands for Catalytic Ethylene Dimerization","Organometallics","2014","33","21","6193","","10.1021/om500880g","","","0.71069","MoKα","","0.0757","0.05","","","0.1001","0.113","","","","","","1.091","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084476","9.656","0.001","12.252","0.001","17.162","0.001","92.016","0.001","96.257","0.001","99.969","0.001","1984.8","0.3","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C44 H46 Br N Ni O2 P2 -","- C40 H38 Br N Ni O P2 -","- C80 H76 Br2 N2 Ni2 O2 P4 -","2","1","","Cheisson, Thibault; Cao, Thi-Phuong-Anh; Le Goff, Xavier F.; Auffrant, Audrey","Nickel Complexes Featuring Iminophosphorane‒Phenoxide Ligands for Catalytic Ethylene Dimerization","Organometallics","2014","33","21","6193","","10.1021/om500880g","","","0.71069","MoKα","","0.0696","0.0565","","","0.1372","0.1453","","","","","","1.072","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084477","12.7343","0.0006","17.6616","0.0007","18.7613","0.0009","90","","106.321","0.002","90","","4049.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H50 F N2 P2 Rh -","- C46 H50 F N2 P2 Rh -","- C184 H200 F4 N8 P8 Rh4 -","4","1","","Schwartsburd, Leonid; Mahon, Mary F.; Poulten, Rebecca C.; Warren, Mark R.; Whittlesey, Michael K.","Mechanistic Studies of the Rhodium NHC Catalyzed Hydrodefluorination of Polyfluorotoluenes","Organometallics","2014","33","21","6165","","10.1021/om500827d","","","0.6889","Synchrotron","","0.1217","0.0636","","","0.1304","0.1539","","","","","","0.962","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084478","10.945","0.0001","22.685","0.0003","21.541","0.0003","90","","95.515","0.001","90","","5323.6","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H56 F7 N2 P2 Rh -","- C56 H53 F7 N2 P2 Rh -","- C224 H212 F28 N8 P8 Rh4 -","4","1","","Schwartsburd, Leonid; Mahon, Mary F.; Poulten, Rebecca C.; Warren, Mark R.; Whittlesey, Michael K.","Mechanistic Studies of the Rhodium NHC Catalyzed Hydrodefluorination of Polyfluorotoluenes","Organometallics","2014","33","21","6165","","10.1021/om500827d","","","0.71073","MoKα","","0.0647","0.0401","","","0.0969","0.1047","","","","","","1.025","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084479","11.4194","0.0008","15.3929","0.0011","26.9717","0.0018","90","","90","","90","","4741","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H37 Cl2 Co N2 P2 -","- C20 H37 Cl2 Co N2 P2 -","- C160 H296 Cl16 Co8 N16 P16 -","8","1","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Synthesis and Reactivity of Four- and Five-Coordinate Low-Spin Cobalt(II) PCP Pincer Complexes and Some Nickel(II) Analogues","Organometallics","2014","","","141009125933001","","10.1021/om5007769","","x-ray","0.71073","MoKα","","0.03","0.0244","","","0.0508","0.0525","","","","1.5","1.5","1.46","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084480","14.566","0.003","11.279","0.002","14.64","0.003","90","","105.829","0.005","90","","2314","0.8","100","","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C20 H37 Cl Co N2 P2 -","- C20 H37 Cl Co N2 P2 -","- C80 H148 Cl4 Co4 N8 P8 -","4","2","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Synthesis and Reactivity of Four- and Five-Coordinate Low-Spin Cobalt(II) PCP Pincer Complexes and Some Nickel(II) Analogues","Organometallics","2014","","","141009125933001","","10.1021/om5007769","","x-ray","0.71069","MoKα","","0.0631","0.0499","","","0.072","0.0743","","","","1.47","1.47","1.39","","","","has coordinates","201208","2020-10-21","18:00:00",""
"4084481","14.6089","0.0013","17.1689","0.0016","19.2961","0.0018","90","","90","","90","","4839.8","0.8","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H37 Cl Co N2 O P2 -","- C21 H37 Cl Co N2 O P2 -","- C168 H296 Cl8 Co8 N16 O8 P16 -","8","1","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Synthesis and Reactivity of Four- and Five-Coordinate Low-Spin Cobalt(II) PCP Pincer Complexes and Some Nickel(II) Analogues","Organometallics","2014","","","141009125933001","","10.1021/om5007769","","x-ray","0.71073","MoKα","","0.0462","0.029","","","0.0407","0.0424","","","","1.59","1.59","1.48","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084482","38.9446","0.0013","38.9446","0.0013","9.6467","0.0007","90","","90","","120","","12670.8","1.1","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C25 H42 Cl Co N3 P2 -","- C25 H42 Cl Co N3 P2 -","- C450 H756 Cl18 Co18 N54 P36 -","18","1","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Synthesis and Reactivity of Four- and Five-Coordinate Low-Spin Cobalt(II) PCP Pincer Complexes and Some Nickel(II) Analogues","Organometallics","2014","","","141009125933001","","10.1021/om5007769","","x-ray","0.71069","MoKα","","0.0334","0.027","","","0.0428","0.0452","","","","1.67","1.67","1.64","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084483","8.097","0.0005","17.8216","0.0011","17.9396","0.0011","70.854","0.003","80.438","0.003","80.517","0.003","2394.6","0.3","104","","104","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H37 Co N2 O2 P2 -","- C22 H37 Co N2 O2 P2 -","- C88 H148 Co4 N8 O8 P8 -","4","2","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Synthesis and Reactivity of Four- and Five-Coordinate Low-Spin Cobalt(II) PCP Pincer Complexes and Some Nickel(II) Analogues","Organometallics","2014","","","141009125933001","","10.1021/om5007769","","x-ray","0.71073","MoKα","","0.0496","0.0398","","","0.0489","0.0501","","","","2.17","2.17","2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084484","14.7515","0.0015","8.4907","0.0009","23.347","0.002","90","","104.923","0.003","90","","2825.6","0.5","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H37 Co F6 N2 O2 P2 Sb -","- C22 H37 Co F6 N2 O2 P2 Sb -","- C88 H148 Co4 F24 N8 O8 P8 Sb4 -","4","1","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Synthesis and Reactivity of Four- and Five-Coordinate Low-Spin Cobalt(II) PCP Pincer Complexes and Some Nickel(II) Analogues","Organometallics","2014","","","141009125933001","","10.1021/om5007769","","x-ray","0.71073","MoKα","","0.0357","0.0307","","","0.0464","0.0471","","","","2.82","2.82","2.7","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084485","37.37","0.003","8.0272","0.0006","34.986","0.003","90","","116.886","0.004","90","","9360.6","1.3","100","","100","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H37 Cl N2 Ni P2 -","- C20 H37 Cl N2 Ni P2 -","- C320 H592 Cl16 N32 Ni16 P32 -","16","4","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Synthesis and Reactivity of Four- and Five-Coordinate Low-Spin Cobalt(II) PCP Pincer Complexes and Some Nickel(II) Analogues","Organometallics","2014","","","141009125933001","","10.1021/om5007769","","x-ray","0.71073","MoKα","","0.0766","0.0629","","","0.077","0.0779","","","","4.26","4.26","3.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084486","14.6254","0.0012","8.4029","0.0007","23.161","0.002","90","","105.928","0.002","90","","2737.1","0.4","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H37 F6 N2 Ni O P2 Sb -","- C21 H37 F6 N2 Ni O P2 Sb -","- C84 H148 F24 N8 Ni4 O4 P8 Sb4 -","4","1","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Synthesis and Reactivity of Four- and Five-Coordinate Low-Spin Cobalt(II) PCP Pincer Complexes and Some Nickel(II) Analogues","Organometallics","2014","","","141009125933001","","10.1021/om5007769","","x-ray","0.71073","MoKα","","0.0355","0.0264","","","0.0323","0.0332","","","","1.82","1.82","1.7","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084487","21.3643","0.0005","5.236","0.0001","22.2066","0.0005","90","","109.882","0.003","90","","2336.04","0.1","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","4H-Cyclopenta[def]triphenylene","","- C19 H12 -","- C19 H12 -","- C152 H96 -","8","2","","Hoggard, Bryce R.; Larsen, Christopher B.; Lucas, Nigel T.","Site Selectivity of [RuCp*]+Complexation in Cyclopenta[def]triphenylenes","Organometallics","2014","33","21","6200","","10.1021/om5008852","","","1.54184","CuKα","","0.0468","0.0413","","","0.1033","0.1083","","","","","","1.031","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084488","6.9545","0.0009","12.281","0.002","14.82","0.002","105.9","0.02","102.93","0.02","104.51","0.02","1118.9","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,6-Di(tert-butyl)-9,10-dimethoxy-4H-cyclopenta[def]triphenylene","","- C29 H32 O2 -","- C29 H32 O2 -","- C58 H64 O4 -","2","1","","Hoggard, Bryce R.; Larsen, Christopher B.; Lucas, Nigel T.","Site Selectivity of [RuCp*]+Complexation in Cyclopenta[def]triphenylenes","Organometallics","2014","33","21","6200","","10.1021/om5008852","","","1.54184","CuKα","","0.1803","0.1123","","","0.2825","0.3478","","","","","","0.963","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084489","14.1125","0.0003","11.9094","0.0003","12.4655","0.0003","90","","93.508","0.002","90","","2091.17","0.09","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","2,6-Di(tert-butyl)-4H-cyclopenta[def]triphenylene","","- C27 H28 -","- C27 H28 -","- C108 H112 -","4","1","","Hoggard, Bryce R.; Larsen, Christopher B.; Lucas, Nigel T.","Site Selectivity of [RuCp*]+Complexation in Cyclopenta[def]triphenylenes","Organometallics","2014","33","21","6200","","10.1021/om5008852","","","1.54184","CuKα","","0.0493","0.0424","","","0.1123","0.1192","","","","","","1.02","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084490","11.683","0.005","10.035","0.005","13.546","0.005","90","","113.796","0.005","90","","1453.1","1.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","10,11-dimethoxy-4H-cyclopenta[def]triphenylene","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","","Hoggard, Bryce R.; Larsen, Christopher B.; Lucas, Nigel T.","Site Selectivity of [RuCp*]+Complexation in Cyclopenta[def]triphenylenes","Organometallics","2014","33","21","6200","","10.1021/om5008852","","","1.54184","CuKα","","0.044","0.0368","","","0.0985","0.104","","","","","","1.042","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084491","13.8046","0.0003","12.8374","0.0003","30.8461","0.0007","90","","99.021","0.002","90","","5398.8","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(η^6^-4H-cyclopenta[def]triphenylene)- (η^5^-pentaamethylcyclopentadienyl)ruthenium(II) hexafluorophosphate","","- C30.5 H30 F6 O0.5 P Ru -","- C30.5 H30 F6 O0.5 P Ru -","- C244 H240 F48 O4 P8 Ru8 -","8","1","","Hoggard, Bryce R.; Larsen, Christopher B.; Lucas, Nigel T.","Site Selectivity of [RuCp*]+Complexation in Cyclopenta[def]triphenylenes","Organometallics","2014","33","21","6200","","10.1021/om5008852","","","1.54184","CuKα","","0.072","0.0641","","","0.1825","0.193","","","","","","1.03","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084492","11.6149","0.0005","24.122","0.002","15.6796","0.0007","90","","107.781","0.005","90","","4183.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[η^6^-2,6-Di(tert-butyl)-9,10-dimethoxy-4H-cyclopenta[def]triphenylene]- (η^5^-pentamethylcyclopentadienyl)ruthenium(II) hexafluorophosphate","","- C41 H51 Cl4 F6 O2 P Ru -","- C41 H51 Cl4 F6 O2 P Ru -","- C164 H204 Cl16 F24 O8 P4 Ru4 -","4","1","","Hoggard, Bryce R.; Larsen, Christopher B.; Lucas, Nigel T.","Site Selectivity of [RuCp*]+Complexation in Cyclopenta[def]triphenylenes","Organometallics","2014","33","21","6200","","10.1021/om5008852","","","1.54184","CuKα","","0.075","0.0562","","","0.1373","0.1489","","","","","","1.034","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084493","8.9764","0.0001","13.6695","0.0003","22.4179","0.0004","90","","97.56","0.002","90","","2726.83","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[η^6^-9,10-dimethoxy-4H-cyclopenta[def]triphenylene]- (η^5^-pentamethylcyclopentadienyl)ruthenium(II) hexafluorophosphate","","- C31 H31 F6 O2 P Ru -","- C31 H31 F6 O2 P Ru -","- C124 H124 F24 O8 P4 Ru4 -","4","1","","Hoggard, Bryce R.; Larsen, Christopher B.; Lucas, Nigel T.","Site Selectivity of [RuCp*]+Complexation in Cyclopenta[def]triphenylenes","Organometallics","2014","33","21","6200","","10.1021/om5008852","","","1.54184","CuKα","","0.0269","0.0253","","","0.0658","0.0668","","","","","","1.026","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084494","9.8304","0.0004","11.139","0.0004","14.5873","0.0005","88.506","0.003","87.78","0.003","73.274","0.004","1528.41","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[η^6^-9,10-dimethoxy-4H-cyclopenta[def]triphenylene]- [η^5^-(hydroxymethyl)tetraamethylcyclopentadienyl]ruthenium(II) hexafluorophosphate","","- C34 H37 F6 O4 P Ru -","- C34 H37 F6 O4 P Ru -","- C68 H74 F12 O8 P2 Ru2 -","2","1","","Hoggard, Bryce R.; Larsen, Christopher B.; Lucas, Nigel T.","Site Selectivity of [RuCp*]+Complexation in Cyclopenta[def]triphenylenes","Organometallics","2014","33","21","6200","","10.1021/om5008852","","","1.54184","CuKα","","0.0414","0.0386","","","0.0984","0.1015","","","","","","1.033","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084495","8.6164","0.0007","8.723","0.0007","12.2352","0.001","102.64","0.001","97.97","0.001","108.353","0.001","830.01","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Br2 N5 Pd -","- C14 H17 Br2 N5 Pd -","- C28 H34 Br4 N10 Pd2 -","2","1","","Yuan, Dan; Huynh, Han Vinh","Hetero-dicarbene Complexes of Palladium(II): Syntheses and Catalytic Activities","Organometallics","2014","33","21","6033","","10.1021/om500659v","","","0.71073","MoKα","","0.0254","0.0233","","","0.0589","0.0598","","","","","","1.071","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084496","11.5532","0.0014","16.799","0.002","15.8611","0.0019","90","","98.911","0.002","90","","3041.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl2 F6 N4 O4 Pd -","- C28 H28 Cl2 F6 N4 O4 Pd -","- C112 H112 Cl8 F24 N16 O16 Pd4 -","4","1","","Yuan, Dan; Huynh, Han Vinh","Hetero-dicarbene Complexes of Palladium(II): Syntheses and Catalytic Activities","Organometallics","2014","33","21","6033","","10.1021/om500659v","","","0.71073","MoKα","","0.0328","0.0281","","","0.0698","0.072","","","","","","1.04","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084497","11.1235","0.0014","12.0955","0.0015","13.9828","0.0018","72.753","0.002","82.76","0.002","70.576","0.002","1693.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H34 F6 N4 O8 Pd S3 -","- C27 H34 F6 N4 O8 Pd S3 -","- C54 H68 F12 N8 O16 Pd2 S6 -","2","1","","Yuan, Dan; Huynh, Han Vinh","Hetero-dicarbene Complexes of Palladium(II): Syntheses and Catalytic Activities","Organometallics","2014","33","21","6033","","10.1021/om500659v","","","0.71073","MoKα","","0.0282","0.0259","","","0.067","0.0696","","","","","","1.07","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084498","13.6276","0.0004","17.5356","0.0007","25.4348","0.0008","90","","90","","90","","6078.1","0.4","90","2","90","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C71.5 H84 S2 Si -","- C71.5 H84 S2 Si -","- C286 H336 S8 Si4 -","4","0.5","","Lips, Felicitas; Mansikkamäki, Akseli; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Reactions of Alkenes and Alkynes with an Acyclic Silylene and Heavier Tetrylenes under Ambient Conditions","Organometallics","2014","33","21","6253","","10.1021/om500947x","","","1.54178","CuKα","","0.0579","0.0495","","","0.1268","0.1319","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084499","13.7162","0.0003","17.6261","0.0004","25.3138","0.0006","90","","90","","90","","6119.9","0.2","90","2","90","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C37 H42 S Si0.5 -","- C37 H42 S Si0.5 -","- C296 H336 S8 Si4 -","8","1","","Lips, Felicitas; Mansikkamäki, Akseli; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Reactions of Alkenes and Alkynes with an Acyclic Silylene and Heavier Tetrylenes under Ambient Conditions","Organometallics","2014","33","21","6253","","10.1021/om500947x","","","1.54178","CuKα","","0.0359","0.0315","","","0.0881","0.0955","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084500","13.2632","0.0008","14.4277","0.001","19.2096","0.0013","77.432","0.004","80.654","0.005","67.24","0.004","3295.9","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C76.5 H96 S2 Si -","- C76.5 H96 S2 Si -","- C153 H192 S4 Si2 -","2","1","","Lips, Felicitas; Mansikkamäki, Akseli; Fettinger, James C.; Tuononen, Heikki M.; Power, Philip P.","Reactions of Alkenes and Alkynes with an Acyclic Silylene and Heavier Tetrylenes under Ambient Conditions","Organometallics","2014","33","21","6253","","10.1021/om500947x","","","1.54178","CuKα","","0.0351","0.0348","","","0.0911","0.0915","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084501","19.6092","0.0017","11.8959","0.001","23.32","0.002","90","","94.238","0.001","90","","5425","0.8","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C63 H64 B N4 O3 P2 Rh -","- C63 H64 B N4 O3 P2 Rh -","- C252 H256 B4 N16 O12 P8 Rh4 -","4","1","","Nacianceno, Virginia San; Ibarlucea, Lourdes; Mendicute-Fierro, Claudio; Rodríguez-Diéguez, Antonio; Seco, José M.; Zumeta, Itziar; Ubide, Carlos; Garralda, María A.","Hydrido{(acylphosphine)(diphenylphosphinous acid)}rhodium(III) Complexes. Catalysts for the Homogeneous Hydrolysis of Ammonia- or Amine-Boranes under Air","Organometallics","2014","33","21","6044","","10.1021/om500666w","","","0.71073","MoKα","","0.0522","0.0436","","","0.0898","0.0965","","","","","","1.015","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084502","12.6411","0.0004","13.5475","0.0004","19.5216","0.0006","105.794","0.001","105.938","0.001","91.131","0.001","3077.13","0.17","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H53 B Br2 Cl2 F24 N4 Pt -","- C55 H53 B Br2 Cl2 F24 N4 Pt -","- C110 H106 B2 Br4 Cl4 F48 N8 Pt2 -","2","1","","Rivada-Wheelaghan, Orestes; Roselló-Merino, Marta; Díez, Josefina; Maya, Celia; López-Serrano, Joaquín; Conejero, Salvador","Formation of C‒X Bonds through Stable Low-Electron-Count Cationic Platinum(IV) Alkyl Complexes Stabilized by N-Heterocyclic Carbenes","Organometallics","2014","33","21","5944","","10.1021/om500881k","","","0.71073","MoKα","","0.06","0.0435","","","0.1066","0.1164","","","","","","1.021","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084503","9.0688","0.0003","12.2784","0.0004","15.295","0.0005","71.521","0.002","72.804","0.002","68.416","0.002","1470.75","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H39 F6 I2 N4 Pt Sb -","- C22 H39 F6 I2 N4 Pt Sb -","- C44 H78 F12 I4 N8 Pt2 Sb2 -","2","1","","Rivada-Wheelaghan, Orestes; Roselló-Merino, Marta; Díez, Josefina; Maya, Celia; López-Serrano, Joaquín; Conejero, Salvador","Formation of C‒X Bonds through Stable Low-Electron-Count Cationic Platinum(IV) Alkyl Complexes Stabilized by N-Heterocyclic Carbenes","Organometallics","2014","33","21","5944","","10.1021/om500881k","","","0.71073","MoKα","","0.0566","0.0459","","","0.1116","0.1187","","","","","","1.064","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084504","20.7842","0.0003","13.4761","0.0002","25.8383","0.0004","90","","107.343","0.002","90","","6908.03","0.19","150","2","150","2","","","","","","","synthesis","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H56 B Br2 F24 N5 Pt -","- C59 H56 B Br2 F24 N5 Pt -","- C236 H224 B4 Br8 F96 N20 Pt4 -","4","1","","Rivada-Wheelaghan, Orestes; Roselló-Merino, Marta; Díez, Josefina; Maya, Celia; López-Serrano, Joaquín; Conejero, Salvador","Formation of C‒X Bonds through Stable Low-Electron-Count Cationic Platinum(IV) Alkyl Complexes Stabilized by N-Heterocyclic Carbenes","Organometallics","2014","33","21","5944","","10.1021/om500881k","","","1.54184","CuKα","","0.063","0.052","","","0.1428","0.1527","","","","","","1.045","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084505","21.36","0.003","12.0082","0.0019","26.508","0.005","90","","113.443","0.002","90","","6237.9","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H42 B Gd N6 O -","- C31 H42 B Gd N6 O -","- C248 H336 B8 Gd8 N48 O8 -","8","1","","Zhang, Fangjun; Zhang, Jie; Zhang, Yin; Hong, Jianquan; Zhou, Xigeng","Rare-Earth-Metal-Catalyzed Addition of Terminal Monoalkynes and Dialkynes with Aryl-Substituted Symmetrical or Unsymmetrical Carbodiimides","Organometallics","2014","33","21","6186","","10.1021/om5008665","","","0.71073","MoKα","","0.0457","0.0315","","","0.0802","0.0876","","","","","","1.003","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084506","9.8964","0.0015","16.542","0.003","19.786","0.003","90","","96.104","0.002","90","","3220.7","0.9","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 B Gd N6 O -","- C32 H40 B Gd N6 O -","- C128 H160 B4 Gd4 N24 O4 -","4","1","","Zhang, Fangjun; Zhang, Jie; Zhang, Yin; Hong, Jianquan; Zhou, Xigeng","Rare-Earth-Metal-Catalyzed Addition of Terminal Monoalkynes and Dialkynes with Aryl-Substituted Symmetrical or Unsymmetrical Carbodiimides","Organometallics","2014","33","21","6186","","10.1021/om5008665","","","0.71073","MoKα","","0.0442","0.0336","","","0.0939","0.1021","","","","","","1.003","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084507","8.61","0.004","12.078","0.005","13.503","0.006","104.48","0.005","107.959","0.005","105.15","0.005","1202.9","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 Cl2 N2 -","- C27 H26 Cl2 N2 -","- C54 H52 Cl4 N4 -","2","1","","Zhang, Fangjun; Zhang, Jie; Zhang, Yin; Hong, Jianquan; Zhou, Xigeng","Rare-Earth-Metal-Catalyzed Addition of Terminal Monoalkynes and Dialkynes with Aryl-Substituted Symmetrical or Unsymmetrical Carbodiimides","Organometallics","2014","33","21","6186","","10.1021/om5008665","","","0.71073","MoKα","","0.1091","0.0767","","","0.2058","0.2198","","","","","","1.002","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084508","11.236","0.004","22.155","0.008","20.797","0.007","90","","97.614","0.005","90","","5131","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H66 B Gd N8 -","- C53 H66 B Gd N8 -","- C212 H264 B4 Gd4 N32 -","4","1","","Zhang, Fangjun; Zhang, Jie; Zhang, Yin; Hong, Jianquan; Zhou, Xigeng","Rare-Earth-Metal-Catalyzed Addition of Terminal Monoalkynes and Dialkynes with Aryl-Substituted Symmetrical or Unsymmetrical Carbodiimides","Organometallics","2014","33","21","6186","","10.1021/om5008665","","","0.71073","MoKα","","0.0672","0.0345","","","0.051","0.0539","","","","","","1.003","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084509","9.1528","0.0011","15.3792","0.0019","19.224","0.003","109.882","0.003","91.679","0.003","105.604","0.002","2429.1","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H62 N4 -","- C48 H62 N4 -","- C96 H124 N8 -","2","1","","Zhang, Fangjun; Zhang, Jie; Zhang, Yin; Hong, Jianquan; Zhou, Xigeng","Rare-Earth-Metal-Catalyzed Addition of Terminal Monoalkynes and Dialkynes with Aryl-Substituted Symmetrical or Unsymmetrical Carbodiimides","Organometallics","2014","33","21","6186","","10.1021/om5008665","","","0.71073","MoKα","","0.1411","0.0814","","","0.2127","0.2313","","","","","","1.004","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084510","7.227","0.001","24.325","0.002","24.449","0.002","90","","90","","90","","4298.1","0.8","90","2","90","2","","","","","","","","6","P n a a","-P 2ac 2bc","56","","","","- C24 H25 Cl Co N3 O2 -","- C24 H25 Cl Co N3 O2 -","- C192 H200 Cl8 Co8 N24 O16 -","8","1","","Siega, Patrizia; Dreos, Renata; Brancatelli, Giovanna; Demitri, Nicola; Geremia, Silvano","Formation and Structure of a Cobalt(III) Complex Containing a Nonstabilized Pyridinium Ylide Ligand","Organometallics","2014","33","21","6076","","10.1021/om5007374","","","0.77491","","","0.077","0.0756","","","0.1895","0.1919","","","","","","1.064","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084511","10.208","0.005","12.886","0.006","19.11","0.01","90","","93.84","0.007","90","","2508","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H72 Mg2 N8 P4 -","- C40 H72 Mg2 N8 P4 -","- C80 H144 Mg4 N16 P8 -","2","0.5","","Liu, Dongling; Wang, Yongli; Pi, Chengfu; Zheng, Wenjun","Synthesis and Structural Characterization of Homoleptic 1,2,4-Diazaphospholide Alkaline Earth Metal Complexes","Organometallics","2014","33","21","6013","","10.1021/om500621s","","","0.71073","MoKα","","0.1011","0.0636","","","0.1656","0.1852","","","","","","0.965","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084512","16.638","0.006","22.436","0.009","21.756","0.008","90","","104.926","0.006","90","","7847","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 Ca1.5 N6 P3 -","- C30 H54 Ca1.5 N6 P3 -","- C240 H432 Ca12 N48 P24 -","8","2","","Liu, Dongling; Wang, Yongli; Pi, Chengfu; Zheng, Wenjun","Synthesis and Structural Characterization of Homoleptic 1,2,4-Diazaphospholide Alkaline Earth Metal Complexes","Organometallics","2014","33","21","6013","","10.1021/om500621s","","","0.71073","MoKα","","0.1544","0.0613","","","0.1371","0.1741","","","","","","0.904","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084513","13.7274","0.0012","19.7191","0.0015","20.0531","0.0018","90","","106.717","0.009","90","","5198.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H74 Ca N8 P4 -","- C40 H74 Ca N8 P4 -","- C160 H296 Ca4 N32 P16 -","4","0.5","","Liu, Dongling; Wang, Yongli; Pi, Chengfu; Zheng, Wenjun","Synthesis and Structural Characterization of Homoleptic 1,2,4-Diazaphospholide Alkaline Earth Metal Complexes","Organometallics","2014","33","21","6013","","10.1021/om500621s","","","0.71073","MoKα","","0.0991","0.057","","","0.1444","0.1675","","","","","","1.02","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084514","22.9924","0.0014","14.3047","0.0009","11.9202","0.0007","90","","90","","90","","3920.5","0.4","173","1","173","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H42 Cl7 Ir O P2 -","- C35 H42 Cl7 Ir O P2 -","- C140 H168 Cl28 Ir4 O4 P8 -","4","0.5","","Silantyev, Gleb A.; Filippov, Oleg A.; Musa, Sanaa; Gelman, Dmitri; Belkova, Natalia V.; Weisz, Klaus; Epstein, Lina M.; Shubina, Elena S.","Conformational Flexibility of Dibenzobarrelene-Based PC(sp3)P Pincer Iridium Hydride Complexes: The Role of Hemilabile Functional Groups and External Coordinating Solvents","Organometallics","2014","33","21","5964","","10.1021/om500308g","","","0.71073","MoKα","","0.0325","0.0288","","","0.0662","0.0679","","","","","","1.042","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084515","16.37","0.003","18.73","0.003","19.489","0.003","110.509","0.002","95.876","0.002","105.039","0.002","5280.2","1.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H183 Al2 Li2 O3 -","- C108 H183 Al2 Li2 O3 -","- C216 H366 Al4 Li4 O6 -","2","1","","Fettinger, James C.; Gray, Paul A.; Melton, Christopher E.; Power, Philip P.","Hydroalumination of Alkenes and Alkynes by Primary Aluminum Hydrides under Mild Conditions","Organometallics","2014","33","21","6232","","10.1021/om500911f","","","0.71073","MoKα","","0.1277","0.0641","","","0.1524","0.1878","","","","","","1.016","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084516","18.5202","0.001","21.1053","0.0012","14.7508","0.0008","90","","90","","90","","5765.7","0.5","90","2","90","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C58 H75 Al -","- C58 H75 Al -","- C232 H300 Al4 -","4","0.5","","Fettinger, James C.; Gray, Paul A.; Melton, Christopher E.; Power, Philip P.","Hydroalumination of Alkenes and Alkynes by Primary Aluminum Hydrides under Mild Conditions","Organometallics","2014","33","21","6232","","10.1021/om500911f","","","0.71073","MoKα","","0.0638","0.0429","","","0.1048","0.1182","","","","","","1.019","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084517","19.5345","0.0019","12.6324","0.0012","25.479","0.003","90","","104.65","0.0013","90","","6083","1.1","90","2","90","2","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C58 H79 Al -","- C58 H79 Al -","- C232 H316 Al4 -","4","1","","Fettinger, James C.; Gray, Paul A.; Melton, Christopher E.; Power, Philip P.","Hydroalumination of Alkenes and Alkynes by Primary Aluminum Hydrides under Mild Conditions","Organometallics","2014","33","21","6232","","10.1021/om500911f","","","0.71073","MoKα","","0.0421","0.0403","","","0.1124","0.1138","","","","","","1.057","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084518","18.4928","0.0006","14.8381","0.0005","18.7287","0.0006","90","","90.723","0.001","90","","5138.7","0.3","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H83 Al Si2 -","- C52 H83 Al Si2 -","- C208 H332 Al4 Si8 -","4","0.5","","Fettinger, James C.; Gray, Paul A.; Melton, Christopher E.; Power, Philip P.","Hydroalumination of Alkenes and Alkynes by Primary Aluminum Hydrides under Mild Conditions","Organometallics","2014","33","21","6232","","10.1021/om500911f","","","0.71073","MoKα","","0.0521","0.0433","","","0.1201","0.128","","","","","","1.065","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084519","16.1828","0.0003","17.4407","0.0003","27.6211","0.0005","90","","90","","90","","7795.8","0.2","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C84 H128 Al2 Li2 -","- C84 H128 Al2 Li2 -","- C336 H512 Al8 Li8 -","4","0.5","","Fettinger, James C.; Gray, Paul A.; Melton, Christopher E.; Power, Philip P.","Hydroalumination of Alkenes and Alkynes by Primary Aluminum Hydrides under Mild Conditions","Organometallics","2014","33","21","6232","","10.1021/om500911f","","","1.54178","CuKα","","0.044","0.0403","","","0.1079","0.1112","","","","","","1.032","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084520","9.3526","0.0005","12.7727","0.0006","12.9546","0.0006","110.296","0.0014","98.1894","0.0016","111.323","0.0017","1286.63","0.11","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H78 Al2 -","- C60 H78 Al2 -","- C60 H78 Al2 -","1","0.5","","Fettinger, James C.; Gray, Paul A.; Melton, Christopher E.; Power, Philip P.","Hydroalumination of Alkenes and Alkynes by Primary Aluminum Hydrides under Mild Conditions","Organometallics","2014","33","21","6232","","10.1021/om500911f","","","1.54178","CuKα","","0.0393","0.0389","","","0.1062","0.1066","","","","","","1.036","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084521","13.1147","0.0011","19.3026","0.0017","24.042","0.002","95.41","0.003","93.432","0.004","91.765","0.004","6044.1","0.9","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C126 H188 Al2 -","- C126 H188 Al2 -","- C252 H376 Al4 -","2","1","","Fettinger, James C.; Gray, Paul A.; Melton, Christopher E.; Power, Philip P.","Hydroalumination of Alkenes and Alkynes by Primary Aluminum Hydrides under Mild Conditions","Organometallics","2014","33","21","6232","","10.1021/om500911f","","","1.54178","CuKα","","0.0576","0.0548","","","0.137","0.1391","","","","","","1.016","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084522","11.4321","0.0017","13.9477","0.0012","21.4655","0.0014","92.046","0.002","90.007","0.003","110.708","0.002","3199.2","0.6","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H33 Cl Fe N P Pd -","- C38 H33 Cl Fe N P Pd -","- C152 H132 Cl4 Fe4 N4 P4 Pd4 -","4","2","","Qian, Hengyu; Yin, Zhigang; Zhang, Tongyan; Yan, Shihai; Wang, Quanling; Zhang, Chunxia","Palladacycle from Cyclometalation of the Unsubstituted Cyclopentadienyl Ring in Ferrocene: Synthesis, Characterization, Theoretical Studies, and Application to Suzuki‒Miyaura Reaction","Organometallics","2014","33","21","6241","","10.1021/om5008924","","","0.71073","MoKα","","0.073","0.0581","","","0.14","0.1436","","","","","","0.995","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084523","8.18","0.0019","10.918","0.0016","19.969","0.004","93.738","0.013","98.035","0.017","95.052","0.016","1753.6","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H39 Cl Fe N O P Pd -","- C40 H39 Cl Fe N O P Pd -","- C80 H78 Cl2 Fe2 N2 O2 P2 Pd2 -","2","1","","Qian, Hengyu; Yin, Zhigang; Zhang, Tongyan; Yan, Shihai; Wang, Quanling; Zhang, Chunxia","Palladacycle from Cyclometalation of the Unsubstituted Cyclopentadienyl Ring in Ferrocene: Synthesis, Characterization, Theoretical Studies, and Application to Suzuki‒Miyaura Reaction","Organometallics","2014","33","21","6241","","10.1021/om5008924","","","0.71073","MoKα","","0.1076","0.0664","","","0.1454","0.1753","","","","","","1.031","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084524","16.1282","0.0003","9.6164","0.0002","8.9291","0.0002","90","","98.106","0.001","90","","1371.02","0.05","296","2","296","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Fe O -","- C16 H18 Fe O -","- C64 H72 Fe4 O4 -","4","1","","López, Enol; Lonzi, Giacomo; López, Luis A.","Gold-Catalyzed C‒H Bond Functionalization of Metallocenes: Synthesis of Densely Functionalized Ferrocene Derivatives","Organometallics","2014","33","21","5924","","10.1021/om500638t","","","0.71073","","","0.0299","0.0244","","","0.0674","0.0727","","","","","","1","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084525","6.0237","0.0001","11.2033","0.0002","13.4735","0.0003","112.748","0.001","96.276","0.001","95.676","0.001","823.57","0.03","296","2","296","2","","","","","","","syntesis","4","P -1","-P 1","2","","","","- C18 H22 O2 Ru -","- C18 H22 O2 Ru -","- C36 H44 O4 Ru2 -","2","1","","López, Enol; Lonzi, Giacomo; López, Luis A.","Gold-Catalyzed C‒H Bond Functionalization of Metallocenes: Synthesis of Densely Functionalized Ferrocene Derivatives","Organometallics","2014","33","21","5924","","10.1021/om500638t","","","0.71073","","","0.0235","0.0197","","","0.0612","0.0818","","","","","","1","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084526","17.939","0.004","11.161","0.002","16.404","0.004","90","","116.835","0.003","90","","2930.7","1.1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H43 B F4 Fe N O3 P3 -","- C24 H43 B F4 Fe N O3 P3 -","- C96 H172 B4 F16 Fe4 N4 O12 P12 -","4","1","","Bhattacharya, Papri; Krause, Jeanette A.; Guan, Hairong","Activation of Dihydrogen and Silanes by Cationic Iron Bis(phosphinite) Pincer Complexes","Organometallics","2014","33","21","6113","","10.1021/om500758j","","","0.7749","synchrotron","","0.0527","0.0338","","","0.0755","0.0824","","","","","","1.019","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084527","7.591","0.005","8.11","0.005","30.406","0.005","90","0.005","91.921","0.005","90","0.005","1870.8","1.7","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Imidazolium salt","","","- C17 H17 B F4 I N2 P -","- C17 H17 B F4 I N2 P -","- C68 H68 B4 F16 I4 N8 P4 -","4","1","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis of Imidazole-Based Functionalized Mesoionic Carbene Complexes of Palladium: Comparison of Donor Properties and Catalytic Activity toward Suzuki‒Miyaura Coupling","Organometallics","2014","33","21","6218","","10.1021/om5009023","","","0.71073","MoKα","","0.0672","0.0351","","","0.0542","0.0615","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084528","22.783","0.005","7.0104","0.0014","23.589","0.005","90","","96.87","0.03","90","","3740.5","1.4","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ir- NHC COMPLEX","","","- C38 H48 Cl2 Ir2 N4 S2 -","- C38 H48 Cl2 Ir2 N4 S2 -","- C152 H192 Cl8 Ir8 N16 S8 -","4","0.5","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis of Imidazole-Based Functionalized Mesoionic Carbene Complexes of Palladium: Comparison of Donor Properties and Catalytic Activity toward Suzuki‒Miyaura Coupling","Organometallics","2014","33","21","6218","","10.1021/om5009023","","","0.71073","MoKα","","0.0616","0.0432","","","0.112","0.1523","","","","","","1.124","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084529","12.492","0.002","14.37","0.003","15.009","0.003","101.275","0.003","91.57","0.003","95.415","0.003","2627.6","0.9","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C44 H46 B F4 I N2 P2 Pd Si -","- C44 H46 B F4 I N2 P2 Pd Si -","- C88 H92 B2 F8 I2 N4 P4 Pd2 Si2 -","2","1","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis of Imidazole-Based Functionalized Mesoionic Carbene Complexes of Palladium: Comparison of Donor Properties and Catalytic Activity toward Suzuki‒Miyaura Coupling","Organometallics","2014","33","21","6218","","10.1021/om5009023","","","0.71073","MoKα","","0.0626","0.0511","","","0.1367","0.1586","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084530","12.3171","0.0018","32.772","0.005","13.49","0.002","90","","106.438","0.002","90","","5222.8","1.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C56 H53 B F4 I N2 O P3 Pd -","- C56 H53 B F4 I N2 O P3 Pd -","- C224 H212 B4 F16 I4 N8 O4 P12 Pd4 -","4","1","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis of Imidazole-Based Functionalized Mesoionic Carbene Complexes of Palladium: Comparison of Donor Properties and Catalytic Activity toward Suzuki‒Miyaura Coupling","Organometallics","2014","33","21","6218","","10.1021/om5009023","","","0.71073","MoKα","","0.06","0.047","","","0.1153","0.1261","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084531","10.9241","0.0012","40.137","0.004","12.4472","0.0013","90","","114.91","0.002","90","","4949.9","0.9","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C108 H100 B2 F8 I2 N4 P4 Pd2 S2 -","- C108 H100 B2 F8 I2 N4 P4 Pd2 S2 -","- C216 H200 B4 F16 I4 N8 P8 Pd4 S4 -","2","0.5","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis of Imidazole-Based Functionalized Mesoionic Carbene Complexes of Palladium: Comparison of Donor Properties and Catalytic Activity toward Suzuki‒Miyaura Coupling","Organometallics","2014","33","21","6218","","10.1021/om5009023","","","0.71073","MoKα","","0.0674","0.046","","","0.0912","0.1","","","","","","1.016","","","","has coordinates","213925","2020-10-21","18:00:00",""
"4084532","10.369","0.005","12.624","0.005","16.459","0.005","74.625","0.005","80.041","0.005","82.634","0.005","2038.3","1.4","273","2","273","2","","","","","","","","7","P -1","-P 1","2","Au-phosphine complex","","","- C17 H17 Au Cl2 I N2 P -","- C17 H17 Au Cl2 I N2 P -","- C68 H68 Au4 Cl8 I4 N8 P4 -","4","2","","Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi","Synthesis of Imidazole-Based Functionalized Mesoionic Carbene Complexes of Palladium: Comparison of Donor Properties and Catalytic Activity toward Suzuki‒Miyaura Coupling","Organometallics","2014","33","21","6218","","10.1021/om5009023","","","0.71073","MoKα","","0.055","0.0374","","","0.0762","0.0821","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084533","8.7016","0.0015","16.87","0.003","15.72","0.003","90","","93.338","0.003","90","","2303.7","0.7","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Fe N4 O2 Si2 -","- C20 H28 Fe N4 O2 Si2 -","- C80 H112 Fe4 N16 O8 Si8 -","4","1","","Sunada, Yusuke; Soejima, Hiroe; Nagashima, Hideo","Disilaferracycle Dicarbonyl Complex Containing Weakly Coordinated η2-(H-Si) Ligands: Application to C‒H Functionalization of Indoles and Arenes","Organometallics","2014","33","21","5936","","10.1021/om500794f","","","0.71075","MoKα","","","0.036","","","","0.0967","","","","","","1.084","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084534","11.089","0.003","13.174","0.004","14.645","0.004","90","","91.371","0.005","90","","2138.8","1","123","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Fe N2 O2 S2 Si2 -","- C18 H16 Fe N2 O2 S2 Si2 -","- C72 H64 Fe4 N8 O8 S8 Si8 -","4","0.5","","Sunada, Yusuke; Soejima, Hiroe; Nagashima, Hideo","Disilaferracycle Dicarbonyl Complex Containing Weakly Coordinated η2-(H-Si) Ligands: Application to C‒H Functionalization of Indoles and Arenes","Organometallics","2014","33","21","5936","","10.1021/om500794f","","","0.71075","MoKα","","","0.0642","","","","0.1853","","","","","","1.054","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084535","31.034","0.009","11.104","0.003","13.296","0.004","90","","90","","90","","4582","2","123","","123","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H28 Fe N4 O2 Si2 -","- C20 H28 Fe N4 O2 Si2 -","- C160 H224 Fe8 N32 O16 Si16 -","8","0.5","","Sunada, Yusuke; Soejima, Hiroe; Nagashima, Hideo","Disilaferracycle Dicarbonyl Complex Containing Weakly Coordinated η2-(H-Si) Ligands: Application to C‒H Functionalization of Indoles and Arenes","Organometallics","2014","33","21","5936","","10.1021/om500794f","","","0.71075","MoKα","","","0.0521","","","","0.1136","","","","","","1.069","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084536","12.618","0.002","16.968","0.003","17.561","0.003","76.197","0.007","81.729","0.008","85.713","0.007","3610.1","1.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C85 H53 N14 O Sn2 -","- C85 H53 N14 O Sn2 -","- C170 H106 N28 O2 Sn4 -","2","1","","Sinha, Woormileela; Kar, Sanjib","Reactions of Grignard Reagents with Tin-Corrole Complexes: Demetalation Strategy and σ-Methyl/Phenyl Complexes","Organometallics","2014","33","22","6550","","10.1021/om500861p","","","0.71073","MoKα","","0.1408","0.0844","","","0.2253","0.2484","","","","","","1.027","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084537","9.9087","0.0017","21.806","0.004","37.724","0.007","86.472","0.005","89.862","0.005","89.919","0.005","8136","3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H34 Cl2 N6 O3 Sn -","- C49 H34 Cl2 N6 O3 Sn -","- C392 H272 Cl16 N48 O24 Sn8 -","8","4","","Sinha, Woormileela; Kar, Sanjib","Reactions of Grignard Reagents with Tin-Corrole Complexes: Demetalation Strategy and σ-Methyl/Phenyl Complexes","Organometallics","2014","33","22","6550","","10.1021/om500861p","","","0.71073","MoKα","","0.1511","0.0469","","","0.1096","0.1592","","","","","","0.952","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084538","12.668","0.004","13.157","0.004","14.033","0.005","91.596","0.008","108.974","0.007","95.657","0.007","2196.6","1.2","147","2","147","2","","","","","","","","9","P 1","P 1","1","","","","- C44 H59 B Br F4 Fe N O4 P2 -","- C44 H59 B Br F4 Fe N O4 P2 -","- C88 H118 B2 Br2 F8 Fe2 N2 O8 P4 -","2","2","","Sonnenberg, Jessica F.; Lough, Alan J.; Morris, Robert H.","Synthesis of Iron P-N-P′ and P-NH-P′ Asymmetric Hydrogenation Catalysts","Organometallics","2014","33","22","6452","","10.1021/om5008083","","","0.71073","MoKα","","0.0586","0.0441","","","0.1152","0.1227","","","","","","1.06","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084539","20.4589","0.0007","17.3014","0.0006","14.5749","0.0006","90","","90","","90","","5159","0.3","147","2","147","2","","","","","","","","9","C 2 2 21","C 2c 2","20","","","","- C57 H58 B Br F4 Fe N2 O2 P2 -","- C57 H58 B Br F4 Fe N2 O2 P2 -","- C228 H232 B4 Br4 F16 Fe4 N8 O8 P8 -","4","0.5","","Sonnenberg, Jessica F.; Lough, Alan J.; Morris, Robert H.","Synthesis of Iron P-N-P′ and P-NH-P′ Asymmetric Hydrogenation Catalysts","Organometallics","2014","33","22","6452","","10.1021/om5008083","","","0.71073","MoKα","","0.046","0.042","","","0.1017","0.1034","","","","","","1.145","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084540","10.6495","0.0017","18.491","0.003","21.832","0.003","110.891","0.003","92.273","0.004","90.535","0.003","4012.1","1.1","147","2","147","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H38 B2 F8 Fe N4 P2 -","- C39 H38 B2 F8 Fe N4 P2 -","- C156 H152 B8 F32 Fe4 N16 P8 -","4","2","","Sonnenberg, Jessica F.; Lough, Alan J.; Morris, Robert H.","Synthesis of Iron P-N-P′ and P-NH-P′ Asymmetric Hydrogenation Catalysts","Organometallics","2014","33","22","6452","","10.1021/om5008083","","","0.71073","MoKα","","0.08","0.047","","","0.0984","0.1115","","","","","","1.009","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084541","11.8424","0.0003","10.3752","0.0002","19.0248","0.0004","90","","103.524","0.001","90","","2272.71","0.09","147","2","147","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C46 H45 B2 F8 Fe N4 O0.5 P2 -","- C46 H45 B2 F8 Fe N4 O0.5 P2 -","- C92 H90 B4 F16 Fe2 N8 O P4 -","2","1","","Sonnenberg, Jessica F.; Lough, Alan J.; Morris, Robert H.","Synthesis of Iron P-N-P′ and P-NH-P′ Asymmetric Hydrogenation Catalysts","Organometallics","2014","33","22","6452","","10.1021/om5008083","","","1.54178","CuKα","","0.0394","0.0355","","","0.0878","0.0894","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084542","10.2441","0.0009","12.592","0.0012","28.518","0.003","90","","92.532","0.002","90","","3675.1","0.6","147","2","147","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H29 Br2 Fe N O P2 -","- C34 H29 Br2 Fe N O P2 -","- C136 H116 Br8 Fe4 N4 O4 P8 -","4","1","","Sonnenberg, Jessica F.; Lough, Alan J.; Morris, Robert H.","Synthesis of Iron P-N-P′ and P-NH-P′ Asymmetric Hydrogenation Catalysts","Organometallics","2014","33","22","6452","","10.1021/om5008083","","","0.71073","MoKα","","0.0577","0.0367","","","0.079","0.0839","","","","","","1.028","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084543","10.2404","0.0004","14.3315","0.0004","23.1281","0.0008","90","","94.945","0.002","90","","3381.7","0.2","147","2","147","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H35 Br2 Fe N P2 -","- C36 H35 Br2 Fe N P2 -","- C144 H140 Br8 Fe4 N4 P8 -","4","2","","Sonnenberg, Jessica F.; Lough, Alan J.; Morris, Robert H.","Synthesis of Iron P-N-P′ and P-NH-P′ Asymmetric Hydrogenation Catalysts","Organometallics","2014","33","22","6452","","10.1021/om5008083","","","1.54178","CuKα","","0.049","0.0458","","","0.1097","0.1111","","","","","","1.104","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084544","12.065","0.007","24.029","0.014","19.407","0.012","90","","104.589","0.016","90","","5445","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H60 B Fe O2 P4 -","- C66 H60 B Fe O2 P4 -","- C264 H240 B4 Fe4 O8 P16 -","4","0.5","","Bedford, Robin B.; Brenner, Peter B.; Carter, Emma; Gallagher, Timothy; Murphy, Damien M.; Pye, Dominic R.","Iron-Catalyzed Borylation of Alkyl, Allyl, and Aryl Halides: Isolation of an Iron(I) Boryl Complex","Organometallics","2014","33","21","5940","","10.1021/om500847j","","","1.54178","CuKα","","0.0332","0.033","","","0.0868","0.087","","","","","","1.04","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084560","24.6791","0.0002","14.5115","0.0002","23.5392","0.0003","90","","117.917","0.0005","90","","7449.09","0.16","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 Cl2 N2 O Ru -","- C40 H46 Cl2 N2 O Ru -","- C320 H368 Cl16 N16 O8 Ru8 -","8","1","","Paradiso, Veronica; Bertolasi, Valerio; Grisi, Fabia","Novel Olefin Metathesis Ruthenium Catalysts Bearing Backbone-Substituted Unsymmetrical NHC Ligands","Organometallics","2014","33","21","5932","","10.1021/om500731k","","","0.71073","MoKα","","0.0562","0.0323","","","0.0784","0.0864","","","","","","1.034","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084561","10.981","0.0002","11.0325","0.0002","20.8647","0.0004","76.9799","0.0007","86.9927","0.0008","61.5591","0.0009","2161.06","0.07","295","","295","","","","","","","","","6","P 1","P 1","1","","","","- C84 H102 Cl4 N4 O3 Ru2 -","- C84 H102 Cl4 N4 O3 Ru2 -","- C84 H102 Cl4 N4 O3 Ru2 -","1","1","","Paradiso, Veronica; Bertolasi, Valerio; Grisi, Fabia","Novel Olefin Metathesis Ruthenium Catalysts Bearing Backbone-Substituted Unsymmetrical NHC Ligands","Organometallics","2014","33","21","5932","","10.1021/om500731k","","","0.71073","MoKα","","0.0607","0.044","","","0.1039","0.1117","","","","","","1.059","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084562","25.582","0.004","12.1873","0.0018","19.944","0.003","90","","125.997","0.003","90","","5030.7","1.3","195","2","195","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H82 Al2 N2 O4 -","- C50 H82 Al2 N2 O4 -","- C200 H328 Al8 N8 O16 -","4","0.5","","Li, Lei; Liu, Bo; Liu, Dongtao; Wu, Chunji; Li, Shihui; Liu, Bo; Cui, Dongmei","Copolymerization of ε-Caprolactone andl-Lactide Catalyzed by Multinuclear Aluminum Complexes: An Immortal Approach","Organometallics","2014","33","22","6474","","10.1021/om5008264","","","0.71073","MoKα","","0.1785","0.0945","","","0.1891","0.2317","","","","","","1.029","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084563","16.5145","0.0015","18.6726","0.0018","19.0718","0.0017","89.936","0.002","66.444","0.002","67.246","0.002","4888.9","0.8","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C103 H138 Al4 N4 O4 -","- C103 H138 Al4 N4 O4 -","- C206 H276 Al8 N8 O8 -","2","1","","Li, Lei; Liu, Bo; Liu, Dongtao; Wu, Chunji; Li, Shihui; Liu, Bo; Cui, Dongmei","Copolymerization of ε-Caprolactone andl-Lactide Catalyzed by Multinuclear Aluminum Complexes: An Immortal Approach","Organometallics","2014","33","22","6474","","10.1021/om5008264","","","0.71073","MoKα","","0.2116","0.1164","","","0.2753","0.3415","","","","","","1.017","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084564","32.4929","0.0019","12.8964","0.0008","24.6911","0.0015","90","","112.123","0.001","90","","9584.9","1","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H66 Al2 N2 O2 -","- C47 H66 Al2 N2 O2 -","- C376 H528 Al16 N16 O16 -","8","1","","Li, Lei; Liu, Bo; Liu, Dongtao; Wu, Chunji; Li, Shihui; Liu, Bo; Cui, Dongmei","Copolymerization of ε-Caprolactone andl-Lactide Catalyzed by Multinuclear Aluminum Complexes: An Immortal Approach","Organometallics","2014","33","22","6474","","10.1021/om5008264","","","0.71073","MoKα","","0.1219","0.0766","","","0.1608","0.1859","","","","","","1.047","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084565","8.398","0.005","8.629","0.005","16.179","0.009","84.433","0.01","79.04","0.009","72.629","0.009","1097.5","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Au F3 N2 -","- C22 H24 Au F3 N2 -","- C44 H48 Au2 F6 N4 -","2","1","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Synthesis of Au(I) Trifluoromethyl Complexes. Oxidation to Au(III) and Reductive Elimination of Halotrifluoromethanes","Organometallics","2014","33","22","6358","","10.1021/om500669j","","","0.71073","MoKα","","0.057","0.0512","","","0.1247","0.1268","","","","","","1.362","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084566","9.5984","0.0005","11.2132","0.0005","15.6656","0.0008","90","","91.354","0.002","90","","1685.6","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Au F3 N2 -","- C18 H16 Au F3 N2 -","- C72 H64 Au4 F12 N8 -","4","1","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Synthesis of Au(I) Trifluoromethyl Complexes. Oxidation to Au(III) and Reductive Elimination of Halotrifluoromethanes","Organometallics","2014","33","22","6358","","10.1021/om500669j","","","0.71073","MoKα","","0.0211","0.017","","","0.0365","0.0377","","","","","","1.053","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084567","9.0505","0.0004","17.6326","0.0007","8.5529","0.0003","90","","109.483","0.001","90","","1286.75","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Au F3 N2 -","- C12 H12 Au F3 N2 -","- C48 H48 Au4 F12 N8 -","4","1","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Synthesis of Au(I) Trifluoromethyl Complexes. Oxidation to Au(III) and Reductive Elimination of Halotrifluoromethanes","Organometallics","2014","33","22","6358","","10.1021/om500669j","","","0.71073","MoKα","","0.0236","0.0193","","","0.0413","0.0426","","","","","","1.082","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084568","11.1211","0.0006","16.9487","0.0009","10.3077","0.0006","90","","110.751","0.002","90","","1816.84","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Au F3 N -","- C6 H9 Au F3 N -","- C48 H72 Au8 F24 N8 -","8","2","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Synthesis of Au(I) Trifluoromethyl Complexes. Oxidation to Au(III) and Reductive Elimination of Halotrifluoromethanes","Organometallics","2014","33","22","6358","","10.1021/om500669j","","","0.71073","MoKα","","0.0238","0.0196","","","0.0431","0.0443","","","","","","1.095","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084569","11.7205","0.0006","34.9552","0.0016","11.7241","0.0006","90","","90","","90","","4803.3","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Au F3 P -","- C4 H9 Au F3 P -","- C96 H216 Au24 F72 P24 -","24","3","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Synthesis of Au(I) Trifluoromethyl Complexes. Oxidation to Au(III) and Reductive Elimination of Halotrifluoromethanes","Organometallics","2014","33","22","6358","","10.1021/om500669j","","","0.71073","MoKα","","0.0488","0.0377","","","0.0833","0.0875","","","","","","1.058","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084570","13.2798","0.0006","11.3874","0.0005","19.1313","0.0008","90","","108.255","0.001","90","","2747.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Au2 F6 P2 -","- C28 H24 Au2 F6 P2 -","- C112 H96 Au8 F24 P8 -","4","1","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Synthesis of Au(I) Trifluoromethyl Complexes. Oxidation to Au(III) and Reductive Elimination of Halotrifluoromethanes","Organometallics","2014","33","22","6358","","10.1021/om500669j","","","0.71073","","","0.0226","0.0177","","","0.0371","0.0384","","","","","","1.072","","","","has coordinates","264242","2021-04-16","08:51:25",""
"4084571","9.5494","0.0005","9.1324","0.0005","18.4926","0.001","90","","92.194","0.002","90","","1611.54","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10.5 H21 Au Cl F3 N2 -","- C10.5 H20 Au Cl F3 N2 -","- C42 H80 Au4 Cl4 F12 N8 -","4","1","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Synthesis of Au(I) Trifluoromethyl Complexes. Oxidation to Au(III) and Reductive Elimination of Halotrifluoromethanes","Organometallics","2014","33","22","6358","","10.1021/om500669j","","","0.71073","MoKα","","0.0247","0.0199","","","0.0509","0.0525","","","","","","1.147","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084572","8.0767","0.0005","8.0999","0.0005","12.4141","0.0007","76.048","0.002","87.682","0.002","78.212","0.002","771.52","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Au F3 N2 -","- C14 H20 Au F3 N2 -","- C28 H40 Au2 F6 N4 -","2","1","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Synthesis of Au(I) Trifluoromethyl Complexes. Oxidation to Au(III) and Reductive Elimination of Halotrifluoromethanes","Organometallics","2014","33","22","6358","","10.1021/om500669j","","","0.71073","MoKα","","0.0227","0.0192","","","0.0401","0.0408","","","","","","1.031","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084573","10.6527","0.0011","13.0192","0.0013","27.96","0.003","90","","98.851","0.003","90","","3831.6","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H31 Au Cl F8 N P2 -","- C43.5 H31 Au Cl F8 N P2 -","- C174 H124 Au4 Cl4 F32 N4 P8 -","4","1","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Synthesis of Au(I) Trifluoromethyl Complexes. Oxidation to Au(III) and Reductive Elimination of Halotrifluoromethanes","Organometallics","2014","33","22","6358","","10.1021/om500669j","","","0.71073","MoKα","","0.0342","0.0278","","","0.0649","0.0678","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084574","19.2298","0.0011","12.5901","0.0007","23.9755","0.0013","90","","95.4493","0.0018","90","","5778.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Au Cl2 F3 N2 -","- C28 H36 Au Cl2 F3 N2 -","- C224 H288 Au8 Cl16 F24 N16 -","8","2","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Synthesis of Au(I) Trifluoromethyl Complexes. Oxidation to Au(III) and Reductive Elimination of Halotrifluoromethanes","Organometallics","2014","33","22","6358","","10.1021/om500669j","","","0.71073","MoKα","","0.0353","0.0283","","","0.0611","0.0632","","","","","","1.055","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084575","10.8061","0.0005","16.2385","0.0008","17.2159","0.0009","90","","96.463","0.002","90","","3001.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Au Br2 F3 N2 -","- C28 H36 Au Br2 F3 N2 -","- C112 H144 Au4 Br8 F12 N8 -","4","1","","Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José","Synthesis of Au(I) Trifluoromethyl Complexes. Oxidation to Au(III) and Reductive Elimination of Halotrifluoromethanes","Organometallics","2014","33","22","6358","","10.1021/om500669j","","","0.71073","MoKα","","0.0346","0.0247","","","0.0512","0.054","","","","","","1.042","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084576","13.0779","0.0003","13.0779","0.0003","16.1921","0.0005","90","","90","","120","","2398.33","0.11","200","2","200","2","","","","","","","","6","P -3","-P 3","147","","","","- C54.5 H43 Cl F P3 Sn -","- C54 H42 F P3 Sn -","- C108 H84 F2 P6 Sn2 -","2","0.333333","","Kameo, Hajime; Kawamoto, Tatsuya; Sakaki, Shigeyoshi; Nakazawa, Hiroshi","Can One σ*-Antibonding Orbital Interact with Six Electrons of Lewis Bases? Analysis of a Multiply Interacting σ* Orbital","Organometallics","2014","33","21","5960","","10.1021/om500951e","","","0.7107","MoKα","","0.0644","0.0506","","","0.1193","0.128","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084577","10.651","0.003","13.376","0.004","16.021","0.005","77.994","0.004","89.069","0.006","88.451","0.006","2231.6","1.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H43 P3 Sn -","- C54 H43 P3 Sn -","- C108 H86 P6 Sn2 -","2","1","","Kameo, Hajime; Kawamoto, Tatsuya; Sakaki, Shigeyoshi; Nakazawa, Hiroshi","Can One σ*-Antibonding Orbital Interact with Six Electrons of Lewis Bases? Analysis of a Multiply Interacting σ* Orbital","Organometallics","2014","33","21","5960","","10.1021/om500951e","","","0.710747","MoKα","","0.0362","0.0294","","","0.0661","0.069","","","","","","1.025","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084578","11.3846","0.0011","11.6512","0.0011","14.2219","0.0013","103.563","0.002","96.146","0.002","106.521","0.002","1727.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37.17 H43.49 Cl1.83 N3 O0.72 Pd -","- C37.163 H43.489 Cl1.837 N3 O0.721 Pd -","- C74.326 H86.978 Cl3.674 N6 O1.442 Pd2 -","2","1","","Oliva-Madrid, María-José; García-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Insertion Reactions on Carbopalladated Benzyne: From Eight- to Nine- and Ten-Membered Palladacycles. Applications to the Synthesis of N-Heterocycles","Organometallics","2014","33","22","6420","","10.1021/om500772p","","","0.71073","MoKα","","0.0413","0.0372","","","0.0867","0.0886","","","","","","1.073","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084579","14.582","0.009","27.583","0.017","35.38","0.02","90","","90","","90","","14230","15","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H40 Br Cl2 N3 O2.5 Pd -","- C35 H38 Br Cl2 N3 O2.5 Pd -","- C560 H608 Br16 Cl32 N48 O40 Pd16 -","16","2","","Oliva-Madrid, María-José; García-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Insertion Reactions on Carbopalladated Benzyne: From Eight- to Nine- and Ten-Membered Palladacycles. Applications to the Synthesis of N-Heterocycles","Organometallics","2014","33","22","6420","","10.1021/om500772p","","","0.71073","MoKα","","0.0718","0.0532","","","0.1313","0.1419","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4084580","14.838","0.009","6.389","0.004","20.408","0.013","90","","106.665","0.011","90","","1853","2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Oliva-Madrid, María-José; García-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Insertion Reactions on Carbopalladated Benzyne: From Eight- to Nine- and Ten-Membered Palladacycles. Applications to the Synthesis of N-Heterocycles","Organometallics","2014","33","22","6420","","10.1021/om500772p","","","0.71073","MoKα","","0.0852","0.0665","","","0.1827","0.1928","","","","","","1.078","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084581","10.7563","0.0002","15.8931","0.0002","20.4481","0.0004","94.1096","0.0012","91.3739","0.0007","101.653","0.0008","3412.12","0.1","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H101 Fe2 Li2 -","- C79 H101 Fe2 Li2 -","- C158 H202 Fe4 Li4 -","2","1","","Sasamori, Takahiro; Suzuki, Yuko; Tokitoh, Norihiro","Isolation and Structural Characterization of a Lewis Base-Free Monolithioferrocene","Organometallics","2014","33","22","6696","","10.1021/om500898v","","","0.71075","MoKα","","0.0551","0.0459","","","0.1086","0.1168","","","","","","1.079","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4084582","5.9476","0.0001","16.4899","0.0003","16.5463","0.0003","90","","92.0537","0.0011","90","","1621.74","0.05","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H50 Fe -","- C38 H50 Fe -","- C76 H100 Fe2 -","2","1","","Sasamori, Takahiro; Suzuki, Yuko; Tokitoh, Norihiro","Isolation and Structural Characterization of a Lewis Base-Free Monolithioferrocene","Organometallics","2014","33","22","6696","","10.1021/om500898v","","","0.71075","MoKα","","0.0551","0.0538","","","0.1382","0.1397","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4084583","18.058","0.002","23.918","0.003","27.749","0.004","90","","90","","90","","11985","3","173","2","173","2","","","","","","","","8","P c a b","-P 2bc 2ac","61","","","","- C66 H86 B0 Br F0 Fe N2 P2 -","- C66 H86 Br Fe N2 P2 -","- C528 H688 Br8 Fe8 N16 P16 -","8","1","","Lin, Ya-Fan; Ichihara, Nobuko; Nakajima, Yumiko; Ozawa, Fumiyuki","Disproportionation of Bis(phosphaethenyl)pyridine Iron(I) Bromide Induced bytBuNC","Organometallics","2014","33","22","6700","","10.1021/om500901a","","","0.7107","MoKα","","0.09","0.0669","","","0.1755","0.1904","","","","","","1.145","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084584","10.152","","29.764","","10.313","","90","","94.88","","90","","3104.92","","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C65 H89 Fe N3 P2 -","- C65 H90 Fe N3 P2 -","- C130 H180 Fe2 N6 P4 -","2","0.5","","Lin, Ya-Fan; Ichihara, Nobuko; Nakajima, Yumiko; Ozawa, Fumiyuki","Disproportionation of Bis(phosphaethenyl)pyridine Iron(I) Bromide Induced bytBuNC","Organometallics","2014","33","22","6700","","10.1021/om500901a","","","0.7107","MoKα","","0.1059","0.0676","","","0.1683","0.1948","","","","","","0.988","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084585","8.562","0.003","22.486","0.007","10.568","0.003","90","","101.47","0.02","90","","1994","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl2 N3 O Pd -","- C19 H21 Cl2 N3 O Pd -","- C76 H84 Cl8 N12 O4 Pd4 -","4","1","","Lee, Jhen-Yi; Ghosh, Dabalina; Lee, Jing-Yi; Wu, Shih-Sheng; Hu, Ching-Han; Liu, Shuang-De; Lee, Hon Man","Zwitterionic Palladium Complexes: Room-Temperature Suzuki‒Miyaura Cross-Coupling of Sterically Hindered Substrates in an Aqueous Medium","Organometallics","2014","33","22","6481","","10.1021/om500834y","","","0.71073","MoKα","","0.0629","0.0361","","","0.0702","0.0814","","","","","","1.047","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084586","9.091","0.002","19.788","0.005","13.533","0.003","90","","98.817","0.014","90","","2405.7","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 Cl2 N3 O Pd -","- C24 H23 Cl2 N3 O Pd -","- C96 H92 Cl8 N12 O4 Pd4 -","4","1","","Lee, Jhen-Yi; Ghosh, Dabalina; Lee, Jing-Yi; Wu, Shih-Sheng; Hu, Ching-Han; Liu, Shuang-De; Lee, Hon Man","Zwitterionic Palladium Complexes: Room-Temperature Suzuki‒Miyaura Cross-Coupling of Sterically Hindered Substrates in an Aqueous Medium","Organometallics","2014","33","22","6481","","10.1021/om500834y","","x-ray","0.71073","MoKα","","0.0714","0.0405","","","0.0933","0.1099","","","","","","1.053","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084587","9.957","0.002","9.977","0.002","13.529","0.004","101.558","0.005","93.317","0.005","100.938","0.005","1286.4","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H29 Cl2 F N3 O Pd -","- C27 H29 Cl2 F N3 O Pd -","- C54 H58 Cl4 F2 N6 O2 Pd2 -","2","1","","Lee, Jhen-Yi; Ghosh, Dabalina; Lee, Jing-Yi; Wu, Shih-Sheng; Hu, Ching-Han; Liu, Shuang-De; Lee, Hon Man","Zwitterionic Palladium Complexes: Room-Temperature Suzuki‒Miyaura Cross-Coupling of Sterically Hindered Substrates in an Aqueous Medium","Organometallics","2014","33","22","6481","","10.1021/om500834y","","x-ray","0.71073","MoKα","","0.0797","0.0546","","","0.1402","0.1509","","","","","","0.999","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084588","9.8749","0.0008","11.9278","0.0009","21.6857","0.0018","90","","95.488","0.006","90","","2542.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cl3 N3 O2 Pd -","- C25 H24 Cl3 N3 O2 Pd -","- C100 H96 Cl12 N12 O8 Pd4 -","4","1","","Lee, Jhen-Yi; Ghosh, Dabalina; Lee, Jing-Yi; Wu, Shih-Sheng; Hu, Ching-Han; Liu, Shuang-De; Lee, Hon Man","Zwitterionic Palladium Complexes: Room-Temperature Suzuki‒Miyaura Cross-Coupling of Sterically Hindered Substrates in an Aqueous Medium","Organometallics","2014","33","22","6481","","10.1021/om500834y","","","0.71073","MoKα","","0.1147","0.052","","","0.0982","0.1234","","","","","","0.991","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084589","13.999","0.004","13.932","0.003","18.546","0.004","90","","90.142","0.016","90","","3617.1","1.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H35 Cl4 N2 O P Pd -","- C38 H35 Cl4 N2 O P Pd -","- C152 H140 Cl16 N8 O4 P4 Pd4 -","4","1","","Lee, Jhen-Yi; Ghosh, Dabalina; Lee, Jing-Yi; Wu, Shih-Sheng; Hu, Ching-Han; Liu, Shuang-De; Lee, Hon Man","Zwitterionic Palladium Complexes: Room-Temperature Suzuki‒Miyaura Cross-Coupling of Sterically Hindered Substrates in an Aqueous Medium","Organometallics","2014","33","22","6481","","10.1021/om500834y","","x-ray","0.71073","MoKα","","0.1048","0.0761","","","0.1884","0.2078","","","","","","0.93","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084590","31.411","0.008","14.311","0.003","22.927","0.01","90","","130.876","0.007","90","","7793","4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H38 Cl5 N2 O2 P Pd -","- C39.5 H38 Cl5 N2 O2 P Pd -","- C316 H304 Cl40 N16 O16 P8 Pd8 -","8","1","","Lee, Jhen-Yi; Ghosh, Dabalina; Lee, Jing-Yi; Wu, Shih-Sheng; Hu, Ching-Han; Liu, Shuang-De; Lee, Hon Man","Zwitterionic Palladium Complexes: Room-Temperature Suzuki‒Miyaura Cross-Coupling of Sterically Hindered Substrates in an Aqueous Medium","Organometallics","2014","33","22","6481","","10.1021/om500834y","","x-ray","0.71073","MoKα","","0.1232","0.0581","","","0.1349","0.177","","","","","","0.956","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084591","14.3832","0.001","14.3969","0.0008","18.4438","0.0011","90","","105.962","0.004","90","","3672","0.4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cl4 F N2 O P Pd -","- C38 H34 Cl4 F N2 O P Pd -","- C152 H136 Cl16 F4 N8 O4 P4 Pd4 -","4","1","","Lee, Jhen-Yi; Ghosh, Dabalina; Lee, Jing-Yi; Wu, Shih-Sheng; Hu, Ching-Han; Liu, Shuang-De; Lee, Hon Man","Zwitterionic Palladium Complexes: Room-Temperature Suzuki‒Miyaura Cross-Coupling of Sterically Hindered Substrates in an Aqueous Medium","Organometallics","2014","33","22","6481","","10.1021/om500834y","","x-ray","0.71073","MoKα","","0.1022","0.0525","","","0.1168","0.1421","","","","","","1.005","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084592","10.783","0.0005","32.6531","0.0014","13.6679","0.0006","90","","98.738","0.002","90","","4756.6","0.4","143","1","143","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H63 Ce F3 N6 Na O6 S -","- C40 H63 Ce F3 N6 Na O6 S -","- C160 H252 Ce4 F12 N24 Na4 O24 S4 -","4","1","","Kim, Jee Eon; Weinberger, David S.; Carroll, Patrick J.; Schelter, Eric J.","Synthesis, Structural Characterization, and Carbonyl Addition Reactivity of a Terminal Cerium(III) Acetylide Complex","Organometallics","2014","33","21","5948","","10.1021/om500899z","","","0.71073","MoKα","","0.0536","0.0494","","","0.1098","0.1118","","","","","","1.368","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084593","11.6569","0.0005","16.4218","0.0007","25.5523","0.0011","90","","101.832","0.002","90","","4787.5","0.4","143","1","143","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H68 Ce N6 Na O3 -","- C47 H68 Ce N6 Na O3 -","- C188 H272 Ce4 N24 Na4 O12 -","4","1","","Kim, Jee Eon; Weinberger, David S.; Carroll, Patrick J.; Schelter, Eric J.","Synthesis, Structural Characterization, and Carbonyl Addition Reactivity of a Terminal Cerium(III) Acetylide Complex","Organometallics","2014","33","21","5948","","10.1021/om500899z","","","0.71073","MoKα","","0.1088","0.0798","","","0.1696","0.1863","","","","","","1.383","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084594","11.8587","0.0004","13.3919","0.0005","16.626","0.0006","100.924","0.002","94.937","0.002","112.535","0.002","2357.64","0.15","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H66 Ce N6 Na O4 -","- C41 H66 Ce N6 Na O4 -","- C82 H132 Ce2 N12 Na2 O8 -","2","1","","Kim, Jee Eon; Weinberger, David S.; Carroll, Patrick J.; Schelter, Eric J.","Synthesis, Structural Characterization, and Carbonyl Addition Reactivity of a Terminal Cerium(III) Acetylide Complex","Organometallics","2014","33","21","5948","","10.1021/om500899z","","","0.71073","MoKα","","0.0232","0.0211","","","0.054","0.055","","","","","","1.074","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084595","9.7803","0.0004","19.5232","0.0008","14.1969","0.0006","90","","93.865","0.002","90","","2704.63","0.19","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H76 Ce N6 Na O4 -","- C55 H76 Ce N6 Na O4 -","- C110 H152 Ce2 N12 Na2 O8 -","2","1","","Kim, Jee Eon; Weinberger, David S.; Carroll, Patrick J.; Schelter, Eric J.","Synthesis, Structural Characterization, and Carbonyl Addition Reactivity of a Terminal Cerium(III) Acetylide Complex","Organometallics","2014","33","21","5948","","10.1021/om500899z","","","0.71073","MoKα","","0.039","0.0299","","","0.0669","0.0704","","","","","","1.041","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084596","10.298","0.002","14.924","0.003","15.579","0.003","84.15","0.03","80.48","0.03","79.55","0.03","2315.8","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 Au2 Cl8 O4 P2 Ti -","- C40 H36 Au2 Cl8 O4 P2 Ti -","- C80 H72 Au4 Cl16 O8 P4 Ti2 -","2","1","","Fernández-Gallardo, Jacob; Elie, Benelita T.; Sulzmaier, Florian J.; Sanaú, Mercedes; Ramos, Joe W.; Contel, María","Organometallic Titanocene-Gold Compounds as Potential Chemotherapeutics in Renal Cancer. Study of their Protein Kinase Inhibitory Properties.","Organometallics","2014","33","22","6669","6681","10.1021/om500965k","","","0.71073","MoKα","","0.1089","0.0602","","","0.1356","0.1624","","","","","","1.065","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084603","21.4257","0.0008","10.8562","0.0004","17.3156","0.0005","90","","104.494","0.003","90","","3899.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 F6 O P2 -","- C44 H32 F6 O P2 -","- C176 H128 F24 O4 P8 -","4","1","","Chen, Chi-Ren; Lin, Ying-Chih","Syntheses of Arylphosphonium Salts from Cyclotrimerization of Terminal Aryl Alknyes by a Ruthenium Pentadienyl Complex and Revisiting the Catalytic Dimerization","Organometallics","2014","33","22","6408","","10.1021/om500745y","","","0.71073","MoKα","","0.117","0.0917","","","0.267","0.2952","","","","","","1.043","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084604","12.4882","0.0012","18.1115","0.0014","9.7751","0.0009","90","","111.679","0.011","90","","2054.5","0.4","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Fe O4 P -","- C22 H31 Fe O4 P -","- C88 H124 Fe4 O16 P4 -","4","1","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","0.71073","MoKα","","0.0982","0.0822","","","0.2037","0.2208","","","","","","1.007","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084605","7.397","0.0002","18.0245","0.0004","21.8203","0.0006","90","","90","","90","","2909.24","0.13","110","0.1","110","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 Fe O4 P -","- C30 H47 Fe O4 P -","- C120 H188 Fe4 O16 P4 -","4","1","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","0.71073","MoKα","","0.0439","0.0382","","","0.0879","0.0912","","","","","","1.035","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084606","11.6913","0.0004","11.8705","0.0004","12.0874","0.0004","62.396","0.003","77.005","0.003","69.734","0.003","1390.35","0.09","110","1","110","1","","","","","","","","5","P 1","P 1","1","","","","- C60 H86 Fe2 O8 P2 -","- C60 H86 Fe2 O8 P2 -","- C60 H86 Fe2 O8 P2 -","1","1","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","0.71073","MoKα","","0.0451","0.0425","","","0.1058","0.1081","","","","","","1.043","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084607","7.7485","0.0002","10.6896","0.0003","34.4462","0.001","90","","90","","90","","2853.12","0.14","110","0.1","110","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H45 Fe O4 P -","- C31 H45 Fe O4 P -","- C124 H180 Fe4 O16 P4 -","4","1","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","0.71073","MoKα","","0.0308","0.0269","","","0.058","0.0595","","","","","","1.022","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084608","43.1922","0.0008","8.5461","0.0002","26.5582","0.0005","90","","90.458","0.002","90","","9803","0.3","110","0.1","110","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C50.25 H76.5 Cl0.5 Fe O7 P2 -","- C50.25 H76.5 Cl0.5 Fe O7 P2 -","- C402 H612 Cl4 Fe8 O56 P16 -","8","2","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","0.71073","MoKα","","0.037","0.0333","","","0.0807","0.0825","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084609","14.1041","0.0013","5.8359","0.0005","16.704","0.002","90","","92.648","0.009","90","","1373.4","0.2","110.2","0.6","110.2","0.6","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H37 Fe2 O4 P -","- C30 H37 Fe2 O4 P -","- C60 H74 Fe4 O8 P2 -","2","1","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","0.71073","MoKα","","0.1476","0.0908","","","0.1454","0.179","","","","","","0.907","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084610","13.9652","0.0007","8.1909","0.0005","21.2807","0.0012","90","","97.814","0.005","90","","2411.6","0.2","109.95","0.1","109.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Fe2 O4 P -","- C27 H31 Fe2 O4 P -","- C108 H124 Fe8 O16 P4 -","4","1","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","0.71073","MoKα","","0.057","0.0404","","","0.0913","0.0985","","","","","","1.031","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084611","34.843","0.0015","8.2055","0.0003","21.7894","0.0011","90","","106.881","0.005","90","","5961.2","0.5","109.95","0.1","109.95","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C66 H84 Cl0 Fe4 O9 P2 -","- C66 H84 Fe4 O9 P2 -","- C264 H336 Fe16 O36 P8 -","4","1","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","1.54184","CuKα","","0.0352","0.0314","","","0.0745","0.076","","","","","","0.983","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084612","14.7944","0.0013","8.3537","0.0007","22.2802","0.0017","90","","96.93","0.007","90","","2733.4","0.4","110","0.3","110","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H37 Fe2 O4 P -","- C31 H37 Fe2 O4 P -","- C124 H148 Fe8 O16 P4 -","4","2","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","0.71073","MoKα","","0.1636","0.0679","","","0.0825","0.1003","","","","","","0.894","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084613","8.3581","0.0004","8.5846","0.0004","27.2615","0.0014","90","","90","","90","","1956.04","0.16","110","0.1","110","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Fe O2 P -","- C23 H21 Fe O2 P -","- C92 H84 Fe4 O8 P4 -","4","1","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","0.71073","MoKα","","0.0436","0.0385","","","0.0767","0.0788","","","","","","1.045","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084620","10.0449","0.0003","11.6762","0.0004","15.8121","0.0005","82.9","0.002","85.438","0.001","84.075","0.001","1826.3","0.1","228","2","228","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H25 N P2 -","- C18 H25 N P2 -","- C72 H100 N4 P8 -","4","2","","Dickie, Diane A.; Kemp, Richard A.","Structures and CO2Reactivity of Zinc Complexes of Bis(diisopropyl-) and Bis(diphenylphosphino)amines","Organometallics","2014","33","22","6511","","10.1021/om500856p","","","0.71073","MoKα","","0.0454","0.0386","","","0.1032","0.1088","","","","","","1.075","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4084621","15.9729","0.0006","17.5388","0.0007","11.571","0.0005","90","","92.11","0.002","90","","3239.4","0.2","228","2","228","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H56 N2 P4 Zn -","- C24 H56 N2 P4 Zn -","- C96 H224 N8 P16 Zn4 -","4","1","","Dickie, Diane A.; Kemp, Richard A.","Structures and CO2Reactivity of Zinc Complexes of Bis(diisopropyl-) and Bis(diphenylphosphino)amines","Organometallics","2014","33","22","6511","","10.1021/om500856p","","","0.71073","MoKα","","0.0555","0.0335","","","0.0745","0.0841","","","","","","1.035","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084622","16.7212","0.0009","12.2921","0.0006","30.4471","0.0014","90","","98.576","0.003","90","","6188.1","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H74 N2 O2 P4 Zn2 -","- C67 H74 N2 O2 P4 Zn2 -","- C268 H296 N8 O8 P16 Zn8 -","4","1","","Dickie, Diane A.; Kemp, Richard A.","Structures and CO2Reactivity of Zinc Complexes of Bis(diisopropyl-) and Bis(diphenylphosphino)amines","Organometallics","2014","33","22","6511","","10.1021/om500856p","","","0.71073","MoKα","","0.0932","0.049","","","0.1096","0.1286","","","","","","1.017","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4084623","12.6683","0.001","20.4452","0.0014","14.5846","0.0011","90","","92.207","0.005","90","","3774.7","0.5","228","2","228","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 N2 P4 Zn -","- C36 H48 N2 P4 Zn -","- C144 H192 N8 P16 Zn4 -","4","1","","Dickie, Diane A.; Kemp, Richard A.","Structures and CO2Reactivity of Zinc Complexes of Bis(diisopropyl-) and Bis(diphenylphosphino)amines","Organometallics","2014","33","22","6511","","10.1021/om500856p","","","0.71073","MoKα","","0.0666","0.0371","","","0.0775","0.0887","","","","","","1.02","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084624","19.2697","0.0007","11.6675","0.0005","22.8911","0.0009","90","","103.908","0.002","90","","4995.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H74 N2 O2 P4 Zn2 -","- C48 H74 N2 O2 P4 Zn2 -","- C192 H296 N8 O8 P16 Zn8 -","4","1","","Dickie, Diane A.; Kemp, Richard A.","Structures and CO2Reactivity of Zinc Complexes of Bis(diisopropyl-) and Bis(diphenylphosphino)amines","Organometallics","2014","33","22","6511","","10.1021/om500856p","","","0.71073","MoKα","","0.0696","0.0501","","","0.1206","0.1269","","","","","","1.068","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084625","9.1168","0.0003","17.4986","0.0006","22.0701","0.0007","91.779","0.002","97.736","0.002","91.086","0.002","3486.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H56 N2 O4 P4 Zn -","- C26 H56 N2 O4 P4 Zn -","- C104 H224 N8 O16 P16 Zn4 -","4","2","","Dickie, Diane A.; Kemp, Richard A.","Structures and CO2Reactivity of Zinc Complexes of Bis(diisopropyl-) and Bis(diphenylphosphino)amines","Organometallics","2014","33","22","6511","","10.1021/om500856p","","","0.71073","MoKα","","0.0889","0.0449","","","0.0882","0.1036","","","","","","0.998","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084626","10.4058","0.0005","10.7839","0.0005","13.0957","0.0006","109.45","0.003","106.448","0.003","90.34","0.003","1320.78","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 N P3 -","- C30 H34 N P3 -","- C60 H68 N2 P6 -","2","1","","Dickie, Diane A.; Kemp, Richard A.","Structures and CO2Reactivity of Zinc Complexes of Bis(diisopropyl-) and Bis(diphenylphosphino)amines","Organometallics","2014","33","22","6511","","10.1021/om500856p","","","0.71073","MoKα","","0.0584","0.0392","","","0.0868","0.0956","","","","","","1.013","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084627","9.9776","0.0009","10.8281","0.001","19.8181","0.0019","86.026","0.005","82.961","0.006","89.971","0.005","2119.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H58 N2 O2 P4 Zn2 -","- C41 H58 N2 O2 P4 Zn2 -","- C82 H116 N4 O4 P8 Zn4 -","2","1","","Dickie, Diane A.; Kemp, Richard A.","Structures and CO2Reactivity of Zinc Complexes of Bis(diisopropyl-) and Bis(diphenylphosphino)amines","Organometallics","2014","33","22","6511","","10.1021/om500856p","","","0.71073","MoKα","","0.0486","0.042","","","0.1083","0.1124","","","","","","1.087","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084628","6.37","0.005","17.942","0.005","21.769","0.005","90","","92.181","0.005","90","","2486","2","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 O7 Si3 -","- C22 H28 O7 Si3 -","- C88 H112 O28 Si12 -","4","1","","Yagihashi, Fujio; Igarashi, Masayasu; Nakajima, Yumiko; Ando, Wataru; Sato, Kazuhiko; Yumoto, Yoshiyuki; Matsui, Chinami; Shimada, Shigeru","Acid-Catalyzed Condensation Reaction of Phenylsilanetriol: Unexpected Formation ofcis,trans-1,3,5-Trihydroxy-1,3,5-triphenylcyclotrisiloxane as the Main Product and Its Isolation","Organometallics","2014","33","22","6278","","10.1021/om500691c","","","0.71069","MoKα","","0.0654","0.0612","","","0.1599","0.1628","","","","","","1.178","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084629","9.8971","0.0001","11.0209","0.0001","12.8045","0.0001","90","","104.597","0.001","90","","1351.57","0.02","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Br2 Ni2 O2 P2 -","- C24 H36 Br2 Ni2 O2 P2 -","- C48 H72 Br4 Ni4 O4 P4 -","2","0.5","","Vabre, Boris; Deschamps, Félix; Zargarian, Davit","Ortho Derivatization of Phenols through C‒H Nickelation: Synthesis, Characterization, and Reactivities of Ortho-Nickelated Phosphinite Complexes","Organometallics","2014","33","22","6623","","10.1021/om500938u","","","1.54178","CuKα","","0.0408","0.0408","","","0.1353","0.1353","","","","","","1.021","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084630","8.4814","0.0001","20.749","0.002","17.7094","0.0002","90","","107.973","0.001","90","","2964.4","0.3","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Br2 Ni O2 P2 -","- C26 H42 Br2 Ni O2 P2 -","- C104 H168 Br8 Ni4 O8 P8 -","4","1","","Vabre, Boris; Deschamps, Félix; Zargarian, Davit","Ortho Derivatization of Phenols through C‒H Nickelation: Synthesis, Characterization, and Reactivities of Ortho-Nickelated Phosphinite Complexes","Organometallics","2014","33","22","6623","","10.1021/om500938u","","","1.54178","CuKα","","0.0202","0.0201","","","0.0522","0.0522","","","","","","1.157","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084631","10.4323","0.0006","12.5239","0.0007","15.3754","0.0009","99.459","0.002","106.577","0.002","95.334","0.002","1878.28","0.19","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H50 Br2 Ni O6 P2 -","- C35 H50 Br2 Ni O6 P2 -","- C70 H100 Br4 Ni2 O12 P4 -","2","1","","Vabre, Boris; Deschamps, Félix; Zargarian, Davit","Ortho Derivatization of Phenols through C‒H Nickelation: Synthesis, Characterization, and Reactivities of Ortho-Nickelated Phosphinite Complexes","Organometallics","2014","33","22","6623","","10.1021/om500938u","","","1.54178","CuKα","","0.034","0.0326","","","0.091","0.0934","","","","","","1.053","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084632","9.0321","0.0002","11.04","0.0003","15.7","0.0004","102.066","0.001","96.868","0.001","96.906","0.001","1502.84","0.07","100","","100","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C26 H42 Br2 Ni O4 P2 -","- C26 H42 Br2 Ni O4 P2 -","- C52 H84 Br4 Ni2 O8 P4 -","2","1","","Vabre, Boris; Deschamps, Félix; Zargarian, Davit","Ortho Derivatization of Phenols through C‒H Nickelation: Synthesis, Characterization, and Reactivities of Ortho-Nickelated Phosphinite Complexes","Organometallics","2014","33","22","6623","","10.1021/om500938u","","","1.54178","CuKα","","0.0404","0.0403","","","0.1067","0.1067","","","","","","1.197","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084633","8.2865","0.0008","8.7999","0.0008","10.927","0.001","109.64","0.04","93.043","0.004","114.612","0.003","664.7","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C24 H38 Br2 Ni O2 P2 -","- C24 H38 Br2 Ni O2 P2 -","- C24 H38 Br2 Ni O2 P2 -","1","0.5","","Vabre, Boris; Deschamps, Félix; Zargarian, Davit","Ortho Derivatization of Phenols through C‒H Nickelation: Synthesis, Characterization, and Reactivities of Ortho-Nickelated Phosphinite Complexes","Organometallics","2014","33","22","6623","","10.1021/om500938u","","","1.54178","CuKα","","0.0284","0.0282","","","0.0748","0.0751","","","","","","1.018","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084634","10.7627","0.0004","13.6755","0.0005","17.913","0.006","90","","93.718","0.0016","90","","2631","0.9","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H37 Br Ni O2 P2 -","- C24 H37 Br Ni O2 P2 -","- C96 H148 Br4 Ni4 O8 P8 -","4","1","","Vabre, Boris; Deschamps, Félix; Zargarian, Davit","Ortho Derivatization of Phenols through C‒H Nickelation: Synthesis, Characterization, and Reactivities of Ortho-Nickelated Phosphinite Complexes","Organometallics","2014","33","22","6623","","10.1021/om500938u","","","1.54178","CuKα","","0.0325","0.0318","","","0.0842","0.0849","","","","","","1.062","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084639","11.118","0.002","10.254","0.002","17.233","0.003","90","","107.78","0.03","90","","1870.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18.5 H16 Fe N O6 -","- C18.5 H13 Fe N O6 -","- C74 H52 Fe4 N4 O24 -","4","1","","Song, Li-Cheng; Hu, Fu-Qiang; Zhao, Gao-Yu; Zhang, Ji-Wei; Zhang, Wei-Wei","Several New [Fe]Hydrogenase Model Complexes with a Single Fe Center Ligated to an Acylmethyl(hydroxymethyl)pyridine or Acylmethyl(hydroxy)pyridine Ligand","Organometallics","2014","33","22","6614","","10.1021/om5009296","","","0.71073","MoKα","","0.085","0.0759","","","0.2626","0.2765","","","","","","1.178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084640","7.8345","0.0016","8.6264","0.0017","12.827","0.003","89.43","0.03","78.61","0.03","78.07","0.03","831","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Fe N2 O4 S -","- C16 H14 Fe N2 O4 S -","- C32 H28 Fe2 N4 O8 S2 -","2","1","","Song, Li-Cheng; Hu, Fu-Qiang; Zhao, Gao-Yu; Zhang, Ji-Wei; Zhang, Wei-Wei","Several New [Fe]Hydrogenase Model Complexes with a Single Fe Center Ligated to an Acylmethyl(hydroxymethyl)pyridine or Acylmethyl(hydroxy)pyridine Ligand","Organometallics","2014","33","22","6614","","10.1021/om5009296","","","0.71073","MoKα","","0.039","0.0308","","","0.0828","0.0858","","","","","","0.999","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084641","22.226","0.004","7.2948","0.0015","22.905","0.005","90","","90","","90","","3713.7","1.3","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Br Fe N O6 -","- C18 H14 Br Fe N O6 -","- C144 H112 Br8 Fe8 N8 O48 -","8","1","","Song, Li-Cheng; Hu, Fu-Qiang; Zhao, Gao-Yu; Zhang, Ji-Wei; Zhang, Wei-Wei","Several New [Fe]Hydrogenase Model Complexes with a Single Fe Center Ligated to an Acylmethyl(hydroxymethyl)pyridine or Acylmethyl(hydroxy)pyridine Ligand","Organometallics","2014","33","22","6614","","10.1021/om5009296","","","0.71073","MoKα","","0.0777","0.0537","","","0.1159","0.1266","","","","","","1.114","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084642","7.719","0.008","10.507","0.013","14.953","0.017","87.84","0.03","77.1","0.03","88.83","0.04","1181","2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Fe N2 O7 S -","- C24 H20 Fe N2 O7 S -","- C48 H40 Fe2 N4 O14 S2 -","2","1","","Song, Li-Cheng; Hu, Fu-Qiang; Zhao, Gao-Yu; Zhang, Ji-Wei; Zhang, Wei-Wei","Several New [Fe]Hydrogenase Model Complexes with a Single Fe Center Ligated to an Acylmethyl(hydroxymethyl)pyridine or Acylmethyl(hydroxy)pyridine Ligand","Organometallics","2014","33","22","6614","","10.1021/om5009296","","","0.71073","MoKα","","0.0971","0.0671","","","0.1169","0.1284","","","","","","1.036","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084643","10.744","0.002","8.4658","0.0017","19.003","0.004","90","","95.99","0.03","90","","1719","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Fe N2 O6 S -","- C16 H12 Fe N2 O6 S -","- C64 H48 Fe4 N8 O24 S4 -","4","1","","Song, Li-Cheng; Hu, Fu-Qiang; Zhao, Gao-Yu; Zhang, Ji-Wei; Zhang, Wei-Wei","Several New [Fe]Hydrogenase Model Complexes with a Single Fe Center Ligated to an Acylmethyl(hydroxymethyl)pyridine or Acylmethyl(hydroxy)pyridine Ligand","Organometallics","2014","33","22","6614","","10.1021/om5009296","","","0.71073","MoKα","","0.1549","0.1306","","","0.3244","0.3379","","","","","","1.052","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084644","18.5107","0.0019","9.6749","0.0007","25.136","0.002","90","","109.961","0.004","90","","4231.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.33 H24.33 F0.33 Ni0.33 P0.67 -","- C15.3333 H24.3333 F0.333333 Ni0.333333 P0.666667 -","- C184 H292 F4 Ni4 P8 -","12","3","","Jover, Jesús; Miloserdov, Fedor M.; Benet-Buchholz, Jordi; Grushin, Vladimir V.; Maseras, Feliu","On the Feasibility of Nickel-Catalyzed Trifluoromethylation of Aryl Halides","Organometallics","2014","33","22","6531","","10.1021/om5008743","","","0.71073","MoKα","","0.0661","0.0404","","","0.091","0.1159","","","","","","1.062","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084645","14.6139","0.0013","21.5741","0.0019","14.9221","0.0013","90","","94.502","0.005","90","","4690.1","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H75 Cl Fe Ni O2 P2 -","- C52 H75 Cl Fe Ni O2 P2 -","- C208 H300 Cl4 Fe4 Ni4 O8 P8 -","4","1","","Jover, Jesús; Miloserdov, Fedor M.; Benet-Buchholz, Jordi; Grushin, Vladimir V.; Maseras, Feliu","On the Feasibility of Nickel-Catalyzed Trifluoromethylation of Aryl Halides","Organometallics","2014","33","22","6531","","10.1021/om5008743","","","0.71073","MoKα","","0.101","0.0849","","","0.2227","0.2355","","","","","","1.124","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084646","12.996","0.001","21.5901","0.0016","17.2447","0.0013","90","","97.752","0.005","90","","4794.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H75 Cl Fe Ni O2 P2 -","- C52 H75 Cl Fe Ni O2 P2 -","- C208 H300 Cl4 Fe4 Ni4 O8 P8 -","4","1","","Jover, Jesús; Miloserdov, Fedor M.; Benet-Buchholz, Jordi; Grushin, Vladimir V.; Maseras, Feliu","On the Feasibility of Nickel-Catalyzed Trifluoromethylation of Aryl Halides","Organometallics","2014","33","22","6531","","10.1021/om5008743","","","0.71073","MoKα","","0.1019","0.0843","","","0.2","0.2088","","","","","","1.074","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084647","15.6218","0.0016","12.2379","0.0012","17.8269","0.0016","90","","91.204","0.004","90","","3407.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H47 F3 Ni O P2 -","- C38 H47 F3 Ni O P2 -","- C152 H188 F12 Ni4 O4 P8 -","4","1","","Jover, Jesús; Miloserdov, Fedor M.; Benet-Buchholz, Jordi; Grushin, Vladimir V.; Maseras, Feliu","On the Feasibility of Nickel-Catalyzed Trifluoromethylation of Aryl Halides","Organometallics","2014","33","22","6531","","10.1021/om5008743","","","0.71073","MoKα","","0.0943","0.0494","","","0.0978","0.1151","","","","","","1.014","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084648","12.014","0.0006","17.5525","0.001","16.5568","0.0009","90","","103.683","0.002","90","","3392.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 Cu F3 Fe P2 -","- C35 H52 Cu F3 Fe P2 -","- C140 H208 Cu4 F12 Fe4 P8 -","4","1","","Jover, Jesús; Miloserdov, Fedor M.; Benet-Buchholz, Jordi; Grushin, Vladimir V.; Maseras, Feliu","On the Feasibility of Nickel-Catalyzed Trifluoromethylation of Aryl Halides","Organometallics","2014","33","22","6531","","10.1021/om5008743","","","0.71073","MoKα","","0.0446","0.0321","","","0.0745","0.0799","","","","","","1.051","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084649","7.9975","0.0003","14.527","0.0005","29.6311","0.001","90","","90","","90","","3442.5","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H49 Cl Fe Ni P2 -","- C38 H49 Cl Fe Ni P2 -","- C152 H196 Cl4 Fe4 Ni4 P8 -","4","1","","Jover, Jesús; Miloserdov, Fedor M.; Benet-Buchholz, Jordi; Grushin, Vladimir V.; Maseras, Feliu","On the Feasibility of Nickel-Catalyzed Trifluoromethylation of Aryl Halides","Organometallics","2014","33","22","6531","","10.1021/om5008743","","","0.71073","MoKα","","0.0348","0.0282","","","0.064","0.0666","","","","","","1.026","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084650","10.361","0.002","21.716","0.004","15.673","0.004","90","","106.855","0.007","90","","3374.9","1.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37 H49 F Ni O2 P2 -","- C37 H49 F Ni O2 P2 -","- C148 H196 F4 Ni4 O8 P8 -","4","1","","Jover, Jesús; Miloserdov, Fedor M.; Benet-Buchholz, Jordi; Grushin, Vladimir V.; Maseras, Feliu","On the Feasibility of Nickel-Catalyzed Trifluoromethylation of Aryl Halides","Organometallics","2014","33","22","6531","","10.1021/om5008743","","","0.71073","MoKα","","0.0656","0.0546","","","0.1491","0.1525","","","","","","1.075","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084651","10.7144","0.0008","12.2834","0.0009","15.5009","0.0011","97.616","0.002","105.536","0.002","109.769","0.002","1792.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H49 Cl2 F Ni O P2 -","- C38 H49 Cl2 F Ni O P2 -","- C76 H98 Cl4 F2 Ni2 O2 P4 -","2","1","","Jover, Jesús; Miloserdov, Fedor M.; Benet-Buchholz, Jordi; Grushin, Vladimir V.; Maseras, Feliu","On the Feasibility of Nickel-Catalyzed Trifluoromethylation of Aryl Halides","Organometallics","2014","33","22","6531","","10.1021/om5008743","","","0.71073","MoKα","","0.0685","0.0462","","","0.1102","0.1207","","","","","","1.03","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084652","13.2436","0.0006","22.8649","0.0011","15.4358","0.0009","90","","101.143","0.005","90","","4586.1","0.4","170","2","170","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H43 Cl2 Fe3 N O5 P2 S4 -","- C44 H43 Cl2 Fe3 N O5 P2 S4 -","- C176 H172 Cl8 Fe12 N4 O20 P8 S16 -","4","1","","Beaume, Laetitia; Clémancey, Martin; Blondin, Geneviève; Greco, Claudio; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean","New Systematic Route to Mixed-Valence Triiron Clusters Derived from Dinuclear Models of the Active Site of [Fe–Fe]-Hydrogenases","Organometallics","2014","33","22","6290","","10.1021/om5010594","","x-ray","0.71073","MoKα","","0.1029","0.0445","","","0.0771","0.0884","","","","","","0.882","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4084653","11.92","0.06","13.77","0.06","15.43","0.06","75.14","0.06","69.06","0.01","79.91","0.05","2276","18","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H82 Cl6 Ir2 N4 O9 P2 S2 -","- C70 H82 Cl6 Ir2 N4 O9 P2 S2 -","- C70 H82 Cl6 Ir2 N4 O9 P2 S2 -","1","0.5","","Horváth, Henrietta; Kathó, Ágnes; Udvardy, Antal; Papp, Gábor; Szikszai, Dorina; Joó, Ferenc","New Water-Soluble Iridium(I)‒N-Heterocyclic Carbene‒Tertiary Phosphine Mixed-Ligand Complexes as Catalysts of Hydrogenation and Redox Isomerization","Organometallics","2014","33","22","6330","","10.1021/om5006148","","","0.71073","MoKα","","0.0851","0.0691","","","","0.2068","","","","","","1.067","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084654","23.0173","0.0007","10.0732","0.0004","30.6859","0.0015","90","","91.82","0.004","90","","7111.2","0.5","293","2","294.5","0.3","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 B Cl6 F4 Ir N5 P -","- C24 H40 B Cl6 F4 Ir N5 P -","- C192 H320 B8 Cl48 F32 Ir8 N40 P8 -","8","2","","Horváth, Henrietta; Kathó, Ágnes; Udvardy, Antal; Papp, Gábor; Szikszai, Dorina; Joó, Ferenc","New Water-Soluble Iridium(I)‒N-Heterocyclic Carbene‒Tertiary Phosphine Mixed-Ligand Complexes as Catalysts of Hydrogenation and Redox Isomerization","Organometallics","2014","33","22","6330","","10.1021/om5006148","","","0.7107","MoKα","","0.168","0.0679","","","","0.1677","","","","","","1.003","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084655","15.9325","0.0009","9.3509","0.0005","31.6757","0.0019","90","","92.601","0.003","90","","4714.3","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H49 F P3 Si -","- C57 H49 F P3 Si -","- C228 H196 F4 P12 Si4 -","4","1","","Kameo, Hajime; Kawamoto, Tatsuya; Sakaki, Shigeyoshi; Bourissou, Didier; Nakazawa, Hiroshi","Synthesis, Geometry, and Bonding Nature of Heptacoordinate Compounds of Silicon and Germanium Featuring Three Phosphine Donors","Organometallics","2014","33","22","6557","","10.1021/om500906f","","","0.7107","MoKα","","0.0993","0.0875","","","0.1832","0.1886","","","","","","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084656","11.9214","0.0013","13.7238","0.0017","18.6671","0.0019","74.147","0.008","67.51","0.006","81.619","0.009","2711.5","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H62 F Ge O2.5 P3 -","- C64 H50 F Ge O2.5 P3 -","- C128 H100 F2 Ge2 O5 P6 -","2","1","","Kameo, Hajime; Kawamoto, Tatsuya; Sakaki, Shigeyoshi; Bourissou, Didier; Nakazawa, Hiroshi","Synthesis, Geometry, and Bonding Nature of Heptacoordinate Compounds of Silicon and Germanium Featuring Three Phosphine Donors","Organometallics","2014","33","22","6557","","10.1021/om500906f","","","0.7107","MoKα","","0.0998","0.0684","","","0.1355","0.1487","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084657","10.897","","10.9471","0.0001","21.4751","0.0004","89.9","0.005","75.394","0.004","64.167","0.003","2213.99","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 Cl Ge P3 -","- C54 H42 Cl Ge P3 -","- C108 H84 Cl2 Ge2 P6 -","2","1","","Kameo, Hajime; Kawamoto, Tatsuya; Sakaki, Shigeyoshi; Bourissou, Didier; Nakazawa, Hiroshi","Synthesis, Geometry, and Bonding Nature of Heptacoordinate Compounds of Silicon and Germanium Featuring Three Phosphine Donors","Organometallics","2014","33","22","6557","","10.1021/om500906f","","","0.7107","MoKα","","0.0507","0.0424","","","0.1088","0.1153","","","","","","1.037","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084658","10.567","0.002","13.264","0.003","15.8","0.004","102.59","0.007","89.937","0.005","92.574","0.006","2159","0.8","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H43 P3 Si -","- C54 H43 P3 Si -","- C108 H86 P6 Si2 -","2","1","","Kameo, Hajime; Kawamoto, Tatsuya; Sakaki, Shigeyoshi; Bourissou, Didier; Nakazawa, Hiroshi","Synthesis, Geometry, and Bonding Nature of Heptacoordinate Compounds of Silicon and Germanium Featuring Three Phosphine Donors","Organometallics","2014","33","22","6557","","10.1021/om500906f","","","0.7107","MoKα","","0.1466","0.0984","","","0.1498","0.1653","","","","","","1.175","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084659","10.569","0.007","13.269","0.008","15.821","0.01","77.19","0.013","89.859","0.016","87.867","0.016","2162","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H43 Ge P3 -","- C54 H43 Ge P3 -","- C108 H86 Ge2 P6 -","2","1","","Kameo, Hajime; Kawamoto, Tatsuya; Sakaki, Shigeyoshi; Bourissou, Didier; Nakazawa, Hiroshi","Synthesis, Geometry, and Bonding Nature of Heptacoordinate Compounds of Silicon and Germanium Featuring Three Phosphine Donors","Organometallics","2014","33","22","6557","","10.1021/om500906f","","","0.710747","MoKα","","0.0704","0.0508","","","0.1056","0.1161","","","","","","1.077","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084660","11.1068","0.0019","14.253","0.003","16.483","0.003","100.486","0.0013","92.827","0.002","110.444","0.002","2386","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H47 Cl2 Ge P3 -","- C56 H47 Cl2 Ge P3 -","- C112 H94 Cl4 Ge2 P6 -","2","1","","Kameo, Hajime; Kawamoto, Tatsuya; Sakaki, Shigeyoshi; Bourissou, Didier; Nakazawa, Hiroshi","Synthesis, Geometry, and Bonding Nature of Heptacoordinate Compounds of Silicon and Germanium Featuring Three Phosphine Donors","Organometallics","2014","33","22","6557","","10.1021/om500906f","","","0.7107","MoKα","","0.0705","0.0541","","","0.1245","0.1375","","","","","","1.068","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084661","9.751","0.004","22.949","0.009","15.624","0.006","90","","90.983","0.006","90","","3496","2","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 Ru -","- C18 H24 O4 Ru -","- C144 H192 O32 Ru8 -","8","4","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Regio- and Enantioselective Linear Cross-Dimerizations between Conjugated Dienes and Acrylates Catalyzed by New Ru(0) Complexes","Organometallics","2014","33","22","6604","","10.1021/om500927z","","","0.71075","MoKα","","","0.0686","","","","0.2366","","","","","","0.993","","","","has coordinates","275207","2022-05-07","09:50:13",""
"4084662","12.6975","0.0006","13.9407","0.0008","14.5234","0.0006","90","","90.371","0.003","90","","2570.8","0.2","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 O5 Ru -","- C27 H34 O5 Ru -","- C108 H136 O20 Ru4 -","4","2","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Regio- and Enantioselective Linear Cross-Dimerizations between Conjugated Dienes and Acrylates Catalyzed by New Ru(0) Complexes","Organometallics","2014","33","22","6604","","10.1021/om500927z","","","0.71075","MoKα","","","0.0384","","","","0.1091","","","","","","0.933","","","","has coordinates","275193","2022-05-07","02:47:35",""
"4084663","16.0175","0.0004","16.0175","0.0004","24.3076","0.0015","90","","90","","90","","6236.4","0.4","200","","200","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C37 H35 O4 P Ru -","- C37 H35 O4 P Ru -","- C296 H280 O32 P8 Ru8 -","8","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Regio- and Enantioselective Linear Cross-Dimerizations between Conjugated Dienes and Acrylates Catalyzed by New Ru(0) Complexes","Organometallics","2014","33","22","6604","","10.1021/om500927z","","","0.71075","MoKα","","","0.0238","","","","0.0647","","","","","","1.054","","","","has coordinates","275193","2022-05-07","02:47:36",""
"4084664","8.741","0.004","11.49","0.006","22.177","0.011","90","","91.374","0.007","90","","2226.7","1.9","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 O Ru -","- C30 H28 O Ru -","- C120 H112 O4 Ru4 -","4","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Regio- and Enantioselective Linear Cross-Dimerizations between Conjugated Dienes and Acrylates Catalyzed by New Ru(0) Complexes","Organometallics","2014","33","22","6604","","10.1021/om500927z","","","0.71075","MoKα","","","0.0398","","","","0.1066","","","","","","1.06","","","","has coordinates","275193","2022-05-07","02:47:36",""
"4084665","7.3996","0.0016","8.555","0.0019","11.976","0.003","99.608","0.003","99.6178","0.0016","108.609","0.003","688.4","0.3","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 O Ru -","- C16 H22 O Ru -","- C32 H44 O2 Ru2 -","2","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Regio- and Enantioselective Linear Cross-Dimerizations between Conjugated Dienes and Acrylates Catalyzed by New Ru(0) Complexes","Organometallics","2014","33","22","6604","","10.1021/om500927z","","","0.71075","MoKα","","","0.0288","","","","0.0717","","","","","","1.17","","","","has coordinates","275193","2022-05-07","02:47:36",""
"4084666","9.017","0.003","11.509","0.003","9.073","0.003","90","","104.913","0.003","90","","909.9","0.5","199","","199","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C23 H22 O Ru -","- C23 H22 O Ru -","- C46 H44 O2 Ru2 -","2","0.5","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Regio- and Enantioselective Linear Cross-Dimerizations between Conjugated Dienes and Acrylates Catalyzed by New Ru(0) Complexes","Organometallics","2014","33","22","6604","","10.1021/om500927z","","","0.71075","MoKα","","","0.0438","","","","0.0987","","","","","","1.225","","","","has coordinates","275193","2022-05-07","02:47:36",""
"4084667","10.339","0.003","10.355","0.003","17.415","0.005","101.924","0.003","101.373","0.007","105.836","0.013","1690.1","0.9","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H54 N P2 Si2 V -","- C24 H54 N P2 Si2 V -","- C48 H108 N2 P4 Si4 V2 -","2","1","","Hatagami, Kohei; Nomura, Kotohiro","Synthesis of (Adamantylmido)vanadium(V)-Alkyl, Alkylidene Complex Trapped with PMe3: Reactions of the Alkylidene Complexes with Phenols","Organometallics","2014","33","22","6585","","10.1021/om500923y","","","0.71075","MoKα","","","0.0598","","","","0.1813","","","","","","1.092","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084668","12.461","0.004","13.957","0.005","19.235","0.005","99.891","0.012","90.355","0.006","103.274","0.016","3203.9","1.8","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H52 N O P2 Si V -","- C28 H52 N O P2 Si V -","- C112 H208 N4 O4 P8 Si4 V4 -","4","2","","Hatagami, Kohei; Nomura, Kotohiro","Synthesis of (Adamantylmido)vanadium(V)-Alkyl, Alkylidene Complex Trapped with PMe3: Reactions of the Alkylidene Complexes with Phenols","Organometallics","2014","33","22","6585","","10.1021/om500923y","","","0.71075","MoKα","","","0.0848","","","","0.2319","","","","","","0.947","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084669","15.291","0.0005","12.713","0.0004","16.0828","0.0005","90","","104.254","0.0005","90","","3030.16","0.17","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 B F3 N8 O4 P S W -","- C23 H33 B F3 N8 O4 P S W -","- C92 H132 B4 F12 N32 O16 P4 S4 W4 -","4","1","","MacLeod, Brianna L.; Pienkos, Jared A.; Myers, Jeffery T.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Stereoselective Synthesis oftrans-Tetrahydroindolines Promoted by a Tungsten π Base","Organometallics","2014","33","22","6286","","10.1021/om501012q","","","0.71073","MoKα","","0.0196","0.0169","","","0.0435","0.0451","","","","","","1.009","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084670","9.7292","0.0003","23.4747","0.0007","15.2996","0.0005","90","","98.1216","0.0005","90","","3459.23","0.19","153","2","153","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 B F3 N10 O4 P S W -","- C27 H39 B F3 N10 O4 P S W -","- C108 H156 B4 F12 N40 O16 P4 S4 W4 -","4","1","","MacLeod, Brianna L.; Pienkos, Jared A.; Myers, Jeffery T.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Stereoselective Synthesis oftrans-Tetrahydroindolines Promoted by a Tungsten π Base","Organometallics","2014","33","22","6286","","10.1021/om501012q","","","0.71073","MoKα","","0.0262","0.0242","","","0.0532","0.0538","","","","","","1.178","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084671","14.105","0.002","11.767","0.002","19.26","0.003","90","","106.782","0.003","90","","3060.5","0.8","233","2","233","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 B N8 O2 P W -","- C27 H40 B N8 O2 P W -","- C108 H160 B4 N32 O8 P4 W4 -","4","1","","MacLeod, Brianna L.; Pienkos, Jared A.; Myers, Jeffery T.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Stereoselective Synthesis oftrans-Tetrahydroindolines Promoted by a Tungsten π Base","Organometallics","2014","33","22","6286","","10.1021/om501012q","","","0.71073","MoKα","","0.0156","0.0143","","","0.0348","0.0362","","","","","","1.129","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084672","11.919","0.003","12.656","0.003","19.673","0.004","90","","91.374","0.004","90","","2966.8","1.2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Fe2 N2 P2 -","- C36 H36 Fe2 N2 P2 -","- C144 H144 Fe8 N8 P8 -","4","1","","Song, Li-Cheng; Tan, Hao; Luo, Fei-Xian; Wang, Yong-Xiang; Ma, Zhen; Niu, Zheng","Synthesis, Structural Characterization, and Catalytic H2Production of Ferrocenyl (Fc) Group Containing Complexes [Ni(PFc2NAr2)2](BF4)2(Ar = Ph,p-BrC6H4)","Organometallics","2014","33","19","5246","","10.1021/om500571n","","","0.71073","MoKα","","0.0425","0.0353","","","0.0758","0.0793","","","","","","1.1","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084673","26.42","0.03","6.082","0.006","21.42","0.02","90","","107.271","0.011","90","","3287","6","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Br2 Fe2 N2 P2 -","- C36 H34 Br2 Fe2 N2 P2 -","- C144 H136 Br8 Fe8 N8 P8 -","4","0.5","","Song, Li-Cheng; Tan, Hao; Luo, Fei-Xian; Wang, Yong-Xiang; Ma, Zhen; Niu, Zheng","Synthesis, Structural Characterization, and Catalytic H2Production of Ferrocenyl (Fc) Group Containing Complexes [Ni(PFc2NAr2)2](BF4)2(Ar = Ph,p-BrC6H4)","Organometallics","2014","33","19","5246","","10.1021/om500571n","","","0.71073","MoKα","","0.0749","0.0596","","","0.1626","0.1702","","","","","","1.108","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084674","15.496","0.008","18.519","0.009","27.166","0.014","90","","101.075","0.006","90","","7651","7","113","2","113","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C72 H68 B2 Br4 F8 Fe4 N4 Ni O0 P4 -","- C72 H68 B2 Br4 F8 Fe4 N4 Ni P4 -","- C288 H272 B8 Br16 F32 Fe16 N16 Ni4 P16 -","4","1","","Song, Li-Cheng; Tan, Hao; Luo, Fei-Xian; Wang, Yong-Xiang; Ma, Zhen; Niu, Zheng","Synthesis, Structural Characterization, and Catalytic H2Production of Ferrocenyl (Fc) Group Containing Complexes [Ni(PFc2NAr2)2](BF4)2(Ar = Ph,p-BrC6H4)","Organometallics","2014","33","19","5246","","10.1021/om500571n","","","0.71073","MoKα","","0.1148","0.0904","","","0.2483","0.2683","","","","","","1.051","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084675","8.026","0.002","10.865","0.004","14.142","0.005","104.021","0.018","100.964","0.014","98.735","0.009","1149","0.7","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H29 Br N2 O Pt -","- C25 H29 Br N2 O Pt -","- C50 H58 Br2 N4 O2 Pt2 -","2","1","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Carbon‒Hydrogen versus Nitrogen‒Oxygen Bond Activation in Reactions of N-Oxide Derivatives of 2,2′-Bipyridine and 1,10-Phenanthroline with a Dimethylplatinum(II) Complex","Organometallics","2014","33","19","5402","","10.1021/om500712e","","","0.71073","MoKα","","0.0808","0.0432","","","0.0801","0.0915","","","","","","1.014","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084676","18.246","0.008","12.2","0.006","12.027","0.005","90","","90.024","0.013","90","","2677","2","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O Pt S -","- C13 H16 N2 O Pt S -","- C104 H128 N16 O8 Pt8 S8 -","8","2","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Carbon‒Hydrogen versus Nitrogen‒Oxygen Bond Activation in Reactions of N-Oxide Derivatives of 2,2′-Bipyridine and 1,10-Phenanthroline with a Dimethylplatinum(II) Complex","Organometallics","2014","33","19","5402","","10.1021/om500712e","","","0.71073","MoKα","","0.0562","0.0347","","","0.0534","0.0576","","","","","","1.023","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084677","9.676","0.002","15.112","0.003","10.0545","0.0018","90","","94.505","0.01","90","","1465.7","0.5","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N3 O Pt -","- C16 H15 N3 O Pt -","- C64 H60 N12 O4 Pt4 -","4","1","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Carbon‒Hydrogen versus Nitrogen‒Oxygen Bond Activation in Reactions of N-Oxide Derivatives of 2,2′-Bipyridine and 1,10-Phenanthroline with a Dimethylplatinum(II) Complex","Organometallics","2014","33","19","5402","","10.1021/om500712e","","","0.71073","MoKα","","0.0404","0.0237","","","0.0375","0.0399","","","","","","1.06","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084678","10.115","0.003","10.864","0.004","12.82","0.005","79.514","0.011","74.122","0.01","62.812","0.008","1202.6","0.7","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H25 N2 O P Pt -","- C29 H25 N2 O P Pt -","- C58 H50 N4 O2 P2 Pt2 -","2","1","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Carbon‒Hydrogen versus Nitrogen‒Oxygen Bond Activation in Reactions of N-Oxide Derivatives of 2,2′-Bipyridine and 1,10-Phenanthroline with a Dimethylplatinum(II) Complex","Organometallics","2014","33","19","5402","","10.1021/om500712e","","","0.71073","MoKα","","0.0532","0.0358","","","0.0588","0.0632","","","","","","1.06","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084679","9.491","0.005","13.395","0.005","18.933","0.008","90","","90.72","0.014","90","","2406.8","1.9","110","","110","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C47 H44 N4 O3 P2 Pt2 -","- C47 H44 N4 O3 P2 Pt2 -","- C94 H88 N8 O6 P4 Pt4 -","2","0.5","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Carbon‒Hydrogen versus Nitrogen‒Oxygen Bond Activation in Reactions of N-Oxide Derivatives of 2,2′-Bipyridine and 1,10-Phenanthroline with a Dimethylplatinum(II) Complex","Organometallics","2014","33","19","5402","","10.1021/om500712e","","","0.71073","MoKα","","0.0716","0.0422","","","0.0921","0.0996","","","","","","0.996","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084680","20.636","0.006","9.673","0.002","18.171","0.005","90","","115.556","0.01","90","","3272.3","1.5","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H36 N2 O2 P2 Pt -","- C37 H36 N2 O2 P2 Pt -","- C148 H144 N8 O8 P8 Pt4 -","4","1","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Carbon‒Hydrogen versus Nitrogen‒Oxygen Bond Activation in Reactions of N-Oxide Derivatives of 2,2′-Bipyridine and 1,10-Phenanthroline with a Dimethylplatinum(II) Complex","Organometallics","2014","33","19","5402","","10.1021/om500712e","","","0.71073","MoKα","","0.0635","0.0337","","","0.06","0.0674","","","","","","1.023","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084681","10.88829","0.00016","17.3003","0.00019","15.9504","0.0002","90","","101.291","0.0014","90","","2946.43","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 F6 Ir N2 P -","- C32 H32 F6 Ir N2 P -","- C128 H128 F24 Ir4 N8 P4 -","4","1","","Liu, Zhe; Romero-Canelón, Isolda; Habtemariam, Abraha; Clarkson, Guy J.; Sadler, Peter J.","Potent Half-Sandwich Iridium(III) Anticancer Complexes Containing C(∧)N-Chelated and Pyridine Ligands.","Organometallics","2014","33","19","5324","5333","10.1021/om500644f","","","0.71073","MoKα","","0.0314","0.0249","","","0.0486","0.0508","","","","","","1.042","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084682","11.35929","0.00014","17.61495","0.00018","16.38866","0.00019","90","","105.578","0.0012","90","","3158.79","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 F6 Ir N3 P -","- C33 H35 F6 Ir N3 P -","- C132 H140 F24 Ir4 N12 P4 -","4","1","","Liu, Zhe; Romero-Canelón, Isolda; Habtemariam, Abraha; Clarkson, Guy J.; Sadler, Peter J.","Potent Half-Sandwich Iridium(III) Anticancer Complexes Containing C(∧)N-Chelated and Pyridine Ligands.","Organometallics","2014","33","19","5324","5333","10.1021/om500644f","","","0.71073","MoKα","","0.023","0.0192","","","0.0402","0.0413","","","","","","1.069","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084683","8.901","0.0002","20.8474","0.0006","18.7889","0.0004","90","","101.449","0.002","90","","3417.14","0.15","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 F6 Ir N3 O P -","- C36 H39 F6 Ir N3 O P -","- C144 H156 F24 Ir4 N12 O4 P4 -","4","1","","Liu, Zhe; Romero-Canelón, Isolda; Habtemariam, Abraha; Clarkson, Guy J.; Sadler, Peter J.","Potent Half-Sandwich Iridium(III) Anticancer Complexes Containing C(∧)N-Chelated and Pyridine Ligands.","Organometallics","2014","33","19","5324","5333","10.1021/om500644f","","","0.71073","MoKα","","0.0354","0.0275","","","0.0603","0.0637","","","","","","1.013","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084684","13.864","0.0019","14.775","0.002","14.478","0.002","90","","97.329","0.002","90","","2941.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 F24 N4 W2 -","- C52 H56 F24 N4 W2 -","- C104 H112 F48 N8 W4 -","2","0.5","","Axtell, Jonathan C.; Schrock, Richard R.; Müller, Peter; Smith, Stacey J.; Hoveyda, Amir H.","Synthesis of Tungsten Imido Alkylidene Complexes that Contain an Electron-Withdrawing Imido Ligand.","Organometallics","2014","33","19","5342","5348","10.1021/om5006676","","","0.71073","MoKα","","0.0228","0.0195","","","0.0462","0.0482","","","","","","1.05","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084685","9.7487","0.0007","20.1371","0.0014","15.5354","0.0011","90","","92.521","0.001","90","","3046.8","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl5 F6 N O8 S2 W -","- C18 H24 Cl5 F6 N O8 S2 W -","- C72 H96 Cl20 F24 N4 O32 S8 W4 -","4","1","","Axtell, Jonathan C.; Schrock, Richard R.; Müller, Peter; Smith, Stacey J.; Hoveyda, Amir H.","Synthesis of Tungsten Imido Alkylidene Complexes that Contain an Electron-Withdrawing Imido Ligand.","Organometallics","2014","33","19","5342","5348","10.1021/om5006676","","","0.71073","MoKα","","0.0164","0.0148","","","0.0345","0.035","","","","","","1.03","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084686","12.8493","0.0018","13.6749","0.0019","20.269","0.003","87.484","0.003","88.749","0.003","69.065","0.003","3323.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H71 Cl3 N O2.5 W -","- C79 H71 Cl3 N O2.5 W -","- C158 H142 Cl6 N2 O5 W2 -","2","1","","Axtell, Jonathan C.; Schrock, Richard R.; Müller, Peter; Smith, Stacey J.; Hoveyda, Amir H.","Synthesis of Tungsten Imido Alkylidene Complexes that Contain an Electron-Withdrawing Imido Ligand.","Organometallics","2014","33","19","5342","5348","10.1021/om5006676","","","0.71073","MoKα","","0.0553","0.0367","","","0.0686","0.075","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084687","9.9491","0.0004","12.6912","0.0005","20.3478","0.0009","90","","100.016","0.004","90","","2530.08","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H46 N2 O2 Zn2 -","- C22 H46 N2 O2 Zn2 -","- C88 H184 N8 O8 Zn8 -","4","0.5","","Budny-Godlewski, Krzysztof; Kubicki, Dominik; Justyniak, Iwona; Lewiński, Janusz","A New Look at the Reactivity of TEMPO toward Diethylzinc","Organometallics","2014","33","19","5093","","10.1021/om5008117","","","0.71073","MoKα","","0.0684","0.052","","","0.1221","0.1426","","","","","","1.331","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084688","35.02","0.002","6.1735","0.0003","13.4542","0.0008","90","","94.598","0.005","90","","2899.4","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Fe O2 -","- C19 H16 Fe O2 -","- C152 H128 Fe8 O16 -","8","1","","Govender, Preshendren; Lemmerhirt, Heidi; Hutton, Alan T.; Therrien, Bruno; Bednarski, Patrick J.; Smith, Gregory S.","First- and Second-Generation Heterometallic Dendrimers Containing Ferrocenyl‒Ruthenium(II)‒Arene Motifs: Synthesis, Structure, Electrochemistry, and Preliminary Cell Proliferation Studies","Organometallics","2014","33","19","5535","","10.1021/om500809g","","","0.71073","MoKα","","0.0689","0.0479","","","0.0933","0.0991","","","","","","1.138","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084689","11.0255","0.0008","8.6471","0.0005","41.358","0.003","90","","98.991","0.006","90","","3894.6","0.5","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 F6 Fe N4 O2 P2 Ru -","- C38 H50 F6 Fe N4 O2 P2 Ru -","- C152 H200 F24 Fe4 N16 O8 P8 Ru4 -","4","1","","Govender, Preshendren; Lemmerhirt, Heidi; Hutton, Alan T.; Therrien, Bruno; Bednarski, Patrick J.; Smith, Gregory S.","First- and Second-Generation Heterometallic Dendrimers Containing Ferrocenyl‒Ruthenium(II)‒Arene Motifs: Synthesis, Structure, Electrochemistry, and Preliminary Cell Proliferation Studies","Organometallics","2014","33","19","5535","","10.1021/om500809g","","","0.71073","MoKα","","0.1888","0.0726","","","0.1254","0.1634","","","","","","0.881","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084690","8.2647","0.0001","22.7678","0.0003","12.2313","0.0002","90","","92.444","0.001","90","","2299.46","0.06","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 B N S -","- C27 H32 B N S -","- C108 H128 B4 N4 S4 -","4","1","","Mellerup, Soren K.; Wang, Suning","Benzothiaoline Three-Coordinated Organoboron Compounds with a B═N Bond: Dual Emission and Temperature-Dependent Excimer Fluorescence","Organometallics","2014","33","19","5483","","10.1021/om500757r","","","0.71073","MoKα","","0.0653","0.0435","","","0.1049","0.1161","","","","","","1.07","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084691","11.4651","0.0011","18.3799","0.0017","23.704","0.002","95.705","0.002","93.529","0.002","90.488","0.002","4960.4","0.8","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 N2 S4 -","- C38 H32 N2 S4 -","- C228 H192 N12 S24 -","6","3","","Tao, Tao; Qian, Hui-Fen; Huang, Wei; You, Xiao-Zeng","Tuning the Spectroscopic, Electrochemical, and Single-Crystal Conductance Properties of a Series of Rhenium-Containing Bithiazoles with Different Donor/Acceptor Hybrids","Organometallics","2014","33","19","5120","","10.1021/om500168j","","","0.71073","MoKα","","0.1738","0.1204","","","0.3017","0.3408","","","","","","1.008","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084692","8.3291","0.0014","10.8951","0.0019","12.605","0.002","97.96","0.003","103.41","0.003","111.124","0.003","1006.3","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H42 N4 S2 -","- C50 H42 N4 S2 -","- C50 H42 N4 S2 -","1","0.5","","Tao, Tao; Qian, Hui-Fen; Huang, Wei; You, Xiao-Zeng","Tuning the Spectroscopic, Electrochemical, and Single-Crystal Conductance Properties of a Series of Rhenium-Containing Bithiazoles with Different Donor/Acceptor Hybrids","Organometallics","2014","33","19","5120","","10.1021/om500168j","","","0.71073","MoKα","","0.0563","0.0455","","","0.1363","0.1431","","","","","","1.078","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084693","7.806","0.002","11.322","0.003","13.029","0.004","112.907","0.004","91.93","0.004","98.577","0.004","1043.5","0.5","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cl N2 O3 Re S2 -","- C17 H20 Cl N2 O3 Re S2 -","- C34 H40 Cl2 N4 O6 Re2 S4 -","2","1","","Tao, Tao; Qian, Hui-Fen; Huang, Wei; You, Xiao-Zeng","Tuning the Spectroscopic, Electrochemical, and Single-Crystal Conductance Properties of a Series of Rhenium-Containing Bithiazoles with Different Donor/Acceptor Hybrids","Organometallics","2014","33","19","5120","","10.1021/om500168j","","","0.71073","MoKα","","0.1063","0.0995","","","0.2481","0.2632","","","","","","1.148","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084694","6.8342","0.0004","14.6803","0.0008","23.7673","0.0014","90","","102.447","0.001","90","","2328.5","0.2","291","2","291","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Br2 Cl N2 O3 Re S2 -","- C17 H18 Br2 Cl N2 O3 Re S2 -","- C68 H72 Br8 Cl4 N8 O12 Re4 S8 -","4","1","","Tao, Tao; Qian, Hui-Fen; Huang, Wei; You, Xiao-Zeng","Tuning the Spectroscopic, Electrochemical, and Single-Crystal Conductance Properties of a Series of Rhenium-Containing Bithiazoles with Different Donor/Acceptor Hybrids","Organometallics","2014","33","19","5120","","10.1021/om500168j","","","0.71073","MoKα","","0.0374","0.0267","","","0.0561","0.0579","","","","","","0.924","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084695","15.954","0.003","22.551","0.005","17.213","0.004","90","","114.606","0.003","90","","5631","2","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N2 O3 Re S4 -","- C25 H24 Cl N2 O3 Re S4 -","- C200 H192 Cl8 N16 O24 Re8 S32 -","8","2","","Tao, Tao; Qian, Hui-Fen; Huang, Wei; You, Xiao-Zeng","Tuning the Spectroscopic, Electrochemical, and Single-Crystal Conductance Properties of a Series of Rhenium-Containing Bithiazoles with Different Donor/Acceptor Hybrids","Organometallics","2014","33","19","5120","","10.1021/om500168j","","","0.71073","MoKα","","0.0798","0.0622","","","0.1757","0.1915","","","","","","1","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084696","38.138","0.005","38.138","0.005","14.147","0.002","90","","90","","90","","20577","5","291","2","291","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C53 H48 Cl N4 O4 Re S2 -","- C53 H48 Cl N4 O4 Re S2 -","- C848 H768 Cl16 N64 O64 Re16 S32 -","16","1","","Tao, Tao; Qian, Hui-Fen; Huang, Wei; You, Xiao-Zeng","Tuning the Spectroscopic, Electrochemical, and Single-Crystal Conductance Properties of a Series of Rhenium-Containing Bithiazoles with Different Donor/Acceptor Hybrids","Organometallics","2014","33","19","5120","","10.1021/om500168j","","","0.71073","MoKα","","0.1334","0.0785","","","0.2148","0.2581","","","","","","1.042","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084697","10.7973","0.0015","15.792","0.002","16.329","0.002","105.68","0.002","106.247","0.001","97.809","0.002","2505.3","0.6","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H44 Cl N4 O4 Re S2 -","- C53 H44 Cl N4 O4 Re S2 -","- C106 H88 Cl2 N8 O8 Re2 S4 -","2","1","","Tao, Tao; Qian, Hui-Fen; Huang, Wei; You, Xiao-Zeng","Tuning the Spectroscopic, Electrochemical, and Single-Crystal Conductance Properties of a Series of Rhenium-Containing Bithiazoles with Different Donor/Acceptor Hybrids","Organometallics","2014","33","19","5120","","10.1021/om500168j","","","0.71073","MoKα","","0.0798","0.0652","","","0.1718","0.18","","","","","","1.05","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084698","8.194","0.0008","18.356","0.003","20.606","0.003","66.934","0.01","84.006","0.012","81.2","0.01","2814.6","0.7","200","2","200","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C13 H23 Cl N2 Na2 O12.5 Pt S3.5 -","- C13 H23 Cl N2 Na2 O12.5 Pt S3.5 -","- C52 H92 Cl4 N8 Na8 O50 Pt4 S14 -","4","2","","Baquero, Edwin A.; Flores, Juan C.; Perles, Josefina; Gómez-Sal, Pilar; de Jesús, Ernesto","Water-Soluble Mono- and Dimethyl N-Heterocyclic Carbene Platinum(II) Complexes: Synthesis and Reactivity","Organometallics","2014","33","19","5470","","10.1021/om500753v","","x-ray","0.71073","MoKα","","0.0914","0.0519","","","0.1297","0.1432","","","","","","1.055","","","","has coordinates","286259","2023-09-07","05:59:14",""
"4084699","17.146","0.003","34.756","0.007","10.637","0.0014","90","","96.595","0.017","90","","6296.9","1.9","200","2","200","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 K2 N8 Na4 O18 Pt2 S5 -","- C25 H37 K2 N8 Na4 O18 Pt2 S5 -","- C100 H148 K8 N32 Na16 O72 Pt8 S20 -","4","1","","Baquero, Edwin A.; Flores, Juan C.; Perles, Josefina; Gómez-Sal, Pilar; de Jesús, Ernesto","Water-Soluble Mono- and Dimethyl N-Heterocyclic Carbene Platinum(II) Complexes: Synthesis and Reactivity","Organometallics","2014","33","19","5470","","10.1021/om500753v","","x-ray","0.71073","MoKα","","0.139","0.0803","","","0.2177","0.2375","","","","","","0.997","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084700","17.768","0.0005","9.8038","0.0004","33.2663","0.0011","90","","90","","90","","5794.8","0.3","296","2","296","2","","","","","","","synthesis as described","7","P n a 21","P 2c -2n","33","Na[PtMe2(dmso)(NHC)].8H2O","","","- C13 H26 N2 Na2 O11 Pt S3 -","- C13 H26 N2 Na2 O11 Pt S3 -","- C104 H208 N16 Na16 O88 Pt8 S24 -","8","2","","Baquero, Edwin A.; Flores, Juan C.; Perles, Josefina; Gómez-Sal, Pilar; de Jesús, Ernesto","Water-Soluble Mono- and Dimethyl N-Heterocyclic Carbene Platinum(II) Complexes: Synthesis and Reactivity","Organometallics","2014","33","19","5470","","10.1021/om500753v","","","0.71073","","","0.0822","0.0581","","","0.166","0.2036","","","","","","1.096","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084701","10.0297","0.001","11.3624","0.0012","14.2414","0.0015","110.145","0.008","90.794","0.006","101.593","0.007","1486.5","0.3","193","2","193.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H30 P2 Si -","- C36 H30 P2 Si -","- C72 H60 P4 Si2 -","2","1","","Whited, Matthew T.; Deetz, Alexander M.; Boerma, Joseph W.; DeRosha, Daniel E.; Janzen, Daron E.","Formation of Chlorosilyl Pincer-Type Rhodium Complexes by Multiple Si‒H Activations of Bis(phosphine)/Dihydrosilyl Ligands","Organometallics","2014","33","19","5070","","10.1021/om5006319","","","0.71075","MoKα","","0.0662","0.0458","","","0.0939","0.1025","","","","","","1.019","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084702","14.946","0.003","15.964","0.002","15.372","0.003","90","","98.558","0.003","90","","3626.9","1.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Cl P2 Rh Si -","- C44 H40 Cl P2 Rh Si -","- C176 H160 Cl4 P8 Rh4 Si4 -","4","1","","Whited, Matthew T.; Deetz, Alexander M.; Boerma, Joseph W.; DeRosha, Daniel E.; Janzen, Daron E.","Formation of Chlorosilyl Pincer-Type Rhodium Complexes by Multiple Si‒H Activations of Bis(phosphine)/Dihydrosilyl Ligands","Organometallics","2014","33","19","5070","","10.1021/om5006319","","","0.71073","MoKα","","0.0601","0.038","","","0.0764","0.0859","","","","","","1.044","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084703","11.169","0.002","19.743","0.004","15.32","0.003","90","","96.932","0.007","90","","3353.5","1.1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 Cl O2 P2 Rh Si -","- C38 H28 Cl O2 P2 Rh Si -","- C152 H112 Cl4 O8 P8 Rh4 Si4 -","4","1","","Whited, Matthew T.; Deetz, Alexander M.; Boerma, Joseph W.; DeRosha, Daniel E.; Janzen, Daron E.","Formation of Chlorosilyl Pincer-Type Rhodium Complexes by Multiple Si‒H Activations of Bis(phosphine)/Dihydrosilyl Ligands","Organometallics","2014","33","19","5070","","10.1021/om5006319","","","0.71075","MoKα","","","0.0422","","","","0.0824","","","","","","1.034","","","","has coordinates","204118","2020-10-21","18:00:00",""
"4084704","11.8909","0.0018","23.798","0.004","39.233","0.006","90","","90","","90","","11102","3","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H46 N2 P2 Si -","- C24 H46 N2 P2 Si -","- C384 H736 N32 P32 Si16 -","16","2","","Whited, Matthew T.; Deetz, Alexander M.; Boerma, Joseph W.; DeRosha, Daniel E.; Janzen, Daron E.","Formation of Chlorosilyl Pincer-Type Rhodium Complexes by Multiple Si‒H Activations of Bis(phosphine)/Dihydrosilyl Ligands","Organometallics","2014","33","19","5070","","10.1021/om5006319","","","0.71075","MoKα","","0.1053","0.0661","","","0.1316","0.144","","","","","","1.088","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084705","10.0902","0.0007","18.164","0.0013","16.7587","0.0012","90","","104.978","0.004","90","","2967.2","0.4","173","2","173.01","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 Cl N2 O P2 Rh Si -","- C25 H44 Cl N2 O P2 Rh Si -","- C100 H176 Cl4 N8 O4 P8 Rh4 Si4 -","4","1","","Whited, Matthew T.; Deetz, Alexander M.; Boerma, Joseph W.; DeRosha, Daniel E.; Janzen, Daron E.","Formation of Chlorosilyl Pincer-Type Rhodium Complexes by Multiple Si‒H Activations of Bis(phosphine)/Dihydrosilyl Ligands","Organometallics","2014","33","19","5070","","10.1021/om5006319","","","1.54178","CuKα","","0.0645","0.0427","","","0.0931","0.1024","","","","","","1.047","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084706","14.6106","0.0015","16.329","0.0016","25.127","0.003","90","","90","","90","","5994.7","1.1","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(POCOP)Rh(C6H4F)(NHPh)","","","- C30 H41 F N O2 P2 Rh -","- C30 H41 F N O2 P2 Rh -","- C240 H328 F8 N8 O16 P16 Rh8 -","8","1","","Timpa, Samuel D.; Pell, Christopher J.; Zhou, Jia; Ozerov, Oleg V.","Fate of Aryl/Amido Complexes of Rhodium(III) Supported by a POCOP Pincer Ligand: C‒N Reductive Elimination, β-Hydrogen Elimination, and Relevance to Catalysis","Organometallics","2014","33","19","5254","","10.1021/om500577w","","","0.71073","MoKα","","0.0429","0.0294","","","0.0658","0.0726","","","","","","1.031","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084707","7.862","0.003","16.139","0.007","10.465","0.004","90","","102.499","0.004","90","","1296.4","0.9","110","2","110","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","(POCOP)Rh(NPh(CH2))","","","- C25 H38 N O2 P2 Rh -","- C25 H38 N O2 P2 Rh -","- C50 H76 N2 O4 P4 Rh2 -","2","0.5","","Timpa, Samuel D.; Pell, Christopher J.; Zhou, Jia; Ozerov, Oleg V.","Fate of Aryl/Amido Complexes of Rhodium(III) Supported by a POCOP Pincer Ligand: C‒N Reductive Elimination, β-Hydrogen Elimination, and Relevance to Catalysis","Organometallics","2014","33","19","5254","","10.1021/om500577w","","","0.71073","MoKα","","0.0268","0.0234","","","0.0599","0.0621","","","","","","1.067","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084708","26.507","0.003","15.3489","0.0019","12.3982","0.0016","90","","93.785","0.003","90","","5033.2","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H82 O5 Si10 -","- C33 H82 O5 Si10 -","- C132 H328 O20 Si40 -","4","0.5","","Liu, Xupeng; Xiao, Xu-Qiong; Xu, Zheng; Yang, Xuemin; Li, Zhifang; Dong, Zhaowen; Yan, Chenting; Lai, Guoqiao; Kira, Mitsuo","Reactions of an Isolable Dialkylsilylene with Carbon Dioxide and Related Heterocumulenes","Organometallics","2014","33","19","5434","","10.1021/om500736h","","","0.71073","MoKα","","0.0627","0.0472","","","0.1352","0.1567","","","","","","1.056","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084709","11.323","0.002","11.883","0.002","15.335","0.003","77.249","0.003","68.794","0.003","74.553","0.003","1836.3","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H57 N S2 Si5 -","- C29 H57 N S2 Si5 -","- C58 H114 N2 S4 Si10 -","2","1","","Liu, Xupeng; Xiao, Xu-Qiong; Xu, Zheng; Yang, Xuemin; Li, Zhifang; Dong, Zhaowen; Yan, Chenting; Lai, Guoqiao; Kira, Mitsuo","Reactions of an Isolable Dialkylsilylene with Carbon Dioxide and Related Heterocumulenes","Organometallics","2014","33","19","5434","","10.1021/om500736h","","","0.71073","MoKα","","0.073","0.049","","","0.1412","0.1645","","","","","","1.028","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084710","11.397","0.007","11.592","0.006","15.405","0.009","76.52","0.014","70.677","0.011","73.386","0.012","1818.7","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H57 N O2 Si5 -","- C29 H57 N O2 Si5 -","- C58 H114 N2 O4 Si10 -","2","1","","Liu, Xupeng; Xiao, Xu-Qiong; Xu, Zheng; Yang, Xuemin; Li, Zhifang; Dong, Zhaowen; Yan, Chenting; Lai, Guoqiao; Kira, Mitsuo","Reactions of an Isolable Dialkylsilylene with Carbon Dioxide and Related Heterocumulenes","Organometallics","2014","33","19","5434","","10.1021/om500736h","","","0.71073","MoKα","","0.069","0.0497","","","0.149","0.1764","","","","","","0.971","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084711","11.7844","0.0004","12.8442","0.0004","14.2905","0.0004","65.951","0.002","86.995","0.003","82.341","0.003","1957.64","0.11","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H65 B2 Lu N2 O2 -","- C37 H65 B2 Lu N2 O2 -","- C74 H130 B4 Lu2 N4 O4 -","2","1","","Schmid, Matthias; Guillaume, Sophie M.; Roesky, Peter W.","β-Diketiminate Rare Earth Borohydride Complexes: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization of ε-Caprolactone and Trimethylene Carbonate","Organometallics","2014","33","19","5392","","10.1021/om500708x","","","0.71073","MoKα","","0.0288","0.0227","","","0.0459","0.0464","","","","","","0.9","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084712","30.579","0.006","10.445","0.002","23.642","0.005","90","","110.19","0.03","90","","7087","3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 B2 N2 O Sm -","- C33 H57 B2 N2 O Sm -","- C264 H456 B16 N16 O8 Sm8 -","8","2","","Schmid, Matthias; Guillaume, Sophie M.; Roesky, Peter W.","β-Diketiminate Rare Earth Borohydride Complexes: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization of ε-Caprolactone and Trimethylene Carbonate","Organometallics","2014","33","19","5392","","10.1021/om500708x","","","0.71073","MoKα","","0.0287","0.022","","","0.0461","0.0476","","","","","","1.031","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084713","8.78","0.0003","12.3442","0.0004","17.6886","0.0005","75.7709","0.0025","84.403","0.003","85.904","0.003","1847.21","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H61 B N2 O2 Yb -","- C37 H57 B N2 O2 Yb -","- C74 H114 B2 N4 O4 Yb2 -","2","1","","Schmid, Matthias; Guillaume, Sophie M.; Roesky, Peter W.","β-Diketiminate Rare Earth Borohydride Complexes: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization of ε-Caprolactone and Trimethylene Carbonate","Organometallics","2014","33","19","5392","","10.1021/om500708x","","","0.71073","MoKα","","0.0414","0.0406","","","0.1173","0.1177","","","","","","1.218","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084714","30.4451","0.0009","10.4128","0.0003","23.6196","0.0007","90","","109.663","0.002","90","","7051.2","0.4","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H114 B4 N4 O2 Yb2 -","- C66 H110 B4 N4 O2 Yb2 -","- C264 H440 B16 N16 O8 Yb8 -","4","1","","Schmid, Matthias; Guillaume, Sophie M.; Roesky, Peter W.","β-Diketiminate Rare Earth Borohydride Complexes: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization of ε-Caprolactone and Trimethylene Carbonate","Organometallics","2014","33","19","5392","","10.1021/om500708x","","","0.71073","MoKα","","0.0684","0.0312","","","0.0549","0.0739","","","","","","0.894","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084715","8.8497","0.0004","12.4662","0.0006","17.8524","0.0009","76.231","0.004","84.663","0.004","85.552","0.004","1901.49","0.16","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H61 B Eu N2 O2 -","- C37 H61 B Eu N2 O2 -","- C74 H122 B2 Eu2 N4 O4 -","2","1","","Schmid, Matthias; Guillaume, Sophie M.; Roesky, Peter W.","β-Diketiminate Rare Earth Borohydride Complexes: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization of ε-Caprolactone and Trimethylene Carbonate","Organometallics","2014","33","19","5392","","10.1021/om500708x","","","0.71073","MoKα","","0.0731","0.0475","","","0.1043","0.115","","","","","","0.919","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084716","8.7602","0.0003","12.3497","0.0004","17.833","0.0006","76.521","0.003","84.648","0.003","85.551","0.003","1864.85","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H61 B N2 O2 Sm -","- C37 H61 B N2 O2 Sm -","- C74 H122 B2 N4 O4 Sm2 -","2","1","","Schmid, Matthias; Guillaume, Sophie M.; Roesky, Peter W.","β-Diketiminate Rare Earth Borohydride Complexes: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization of ε-Caprolactone and Trimethylene Carbonate","Organometallics","2014","33","19","5392","","10.1021/om500708x","","","0.71073","MoKα","","0.0341","0.0268","","","0.0636","0.0656","","","","","","0.992","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084717","8.0455","0.0009","8.7936","0.0018","27.534","0.002","90","","92.878","0.006","90","","1945.5","0.5","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N Zr -","- C21 H27 N Zr -","- C84 H108 N4 Zr4 -","4","1","","Brandenburg, Jan Gerit; Bender, Georg; Ren, Jinjun; Hansen, Andreas; Grimme, Stefan; Eckert, Hellmut; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Crystal Packing Induced Carbon‒Carbon Double‒Triple Bond Isomerization in a Zirconocene Complex","Organometallics","2014","33","19","5358","","10.1021/om500678p","","","0.71073","MoKα","","0.0444","0.0338","","","0.0727","0.0794","","","","","","1.081","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084718","12.24721","0.00008","17.78581","0.00012","16.56411","0.00011","90","","90.8628","0.0006","90","","3607.69","0.04","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H46 Si2 Sn -","- C42 H46 Si2 Sn -","- C168 H184 Si8 Sn4 -","4","2","","Hermeke, Julia; Mewald, Marius; Irran, Elisabeth; Oestreich, Martin","Chemoselective Tin‒Boron Exchange Aided by the Use of Dummy Ligands at the Tin Atom","Organometallics","2014","33","19","5097","","10.1021/om500851r","","x-ray","1.54184","CuKα","","0.0369","0.0349","","","0.0838","0.0854","","","","","","1.036","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084719","14.4431","0.0007","9.1854","0.0005","14.5944","0.0007","90","","92.797","0.005","90","","1933.87","0.17","150","2","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H34 B F5 O -","- C45 H34 B F5 O -","- C90 H68 B2 F10 O2 -","2","1","","Hermeke, Julia; Mewald, Marius; Irran, Elisabeth; Oestreich, Martin","Chemoselective Tin‒Boron Exchange Aided by the Use of Dummy Ligands at the Tin Atom","Organometallics","2014","33","19","5097","","10.1021/om500851r","","x-ray","1.54184","CuKα","","0.0555","0.0452","","","0.1138","0.1215","","","","","","1.012","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084720","11.4502","0.0001","12.25515","0.0001","20.46419","0.00016","90","","90","","90","","2871.62","0.04","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 Si2 Sn -","- C30 H38 Si2 Sn -","- C120 H152 Si8 Sn4 -","4","1","","Hermeke, Julia; Mewald, Marius; Irran, Elisabeth; Oestreich, Martin","Chemoselective Tin‒Boron Exchange Aided by the Use of Dummy Ligands at the Tin Atom","Organometallics","2014","33","19","5097","","10.1021/om500851r","","x-ray","1.54184","CuKα","","0.0234","0.0225","","","0.0573","0.0577","","","","","","1.061","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084721","26.905","0.006","14.63","0.003","13.977","0.003","90","","116.707","0.004","90","","4914.7","1.8","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 Cl N2 Ru -","- C29 H33 Cl N2 Ru -","- C232 H264 Cl8 N16 Ru8 -","8","1","","Ma, Chong; Ai, Chunjin; Li, Zhefu; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Synthesis and Alkyne Insertion Reactions of NHC-Based Cyclometalated Ruthenium(II) Complexes","Organometallics","2014","33","19","5164","","10.1021/om500369g","","","0.71073","MoKα","","0.0281","0.0248","","","0.0636","0.0648","","","","","","1.088","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084722","12.447","0.0012","15.009","0.0016","13.736","0.0014","90","","94.362","0.005","90","","2558.7","0.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 Cl F N2 Ru -","- C29 H32 Cl F N2 Ru -","- C116 H128 Cl4 F4 N8 Ru4 -","4","1","","Ma, Chong; Ai, Chunjin; Li, Zhefu; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Synthesis and Alkyne Insertion Reactions of NHC-Based Cyclometalated Ruthenium(II) Complexes","Organometallics","2014","33","19","5164","","10.1021/om500369g","","","0.71075","MoKα","","0.0511","0.0411","","","0.0895","0.095","","","","","","1.073","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084723","13.574","0.0012","14.627","0.0014","26.222","0.003","90","","90","","90","","5206.3","0.9","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Cl2 N2 Ru -","- C29 H32 Cl2 N2 Ru -","- C232 H256 Cl16 N16 Ru8 -","8","2","","Ma, Chong; Ai, Chunjin; Li, Zhefu; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Synthesis and Alkyne Insertion Reactions of NHC-Based Cyclometalated Ruthenium(II) Complexes","Organometallics","2014","33","19","5164","","10.1021/om500369g","","","0.71075","MoKα","","0.0441","0.0403","","","0.0816","0.0833","","","","","","1.074","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084724","13.617","0.0014","14.744","0.0016","26.168","0.003","90","","90","","90","","5253.7","1","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Br Cl N2 Ru -","- C29 H32 Br Cl N2 Ru -","- C232 H256 Br8 Cl8 N16 Ru8 -","8","2","","Ma, Chong; Ai, Chunjin; Li, Zhefu; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Synthesis and Alkyne Insertion Reactions of NHC-Based Cyclometalated Ruthenium(II) Complexes","Organometallics","2014","33","19","5164","","10.1021/om500369g","","","0.71075","MoKα","","0.0614","0.0503","","","0.1075","0.1128","","","","","","1.019","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084725","14.814","0.003","13.925","0.003","27.373","0.006","90","","104.9","0.03","90","","5457","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 Cl N2 O Ru -","- C30 H35 Cl N2 O Ru -","- C240 H280 Cl8 N16 O8 Ru8 -","8","2","","Ma, Chong; Ai, Chunjin; Li, Zhefu; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Synthesis and Alkyne Insertion Reactions of NHC-Based Cyclometalated Ruthenium(II) Complexes","Organometallics","2014","33","19","5164","","10.1021/om500369g","","","0.71073","MoKα","","0.0757","0.0627","","","0.169","0.1783","","","","","","1.107","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084726","15.226","0.003","14.244","0.003","14.163","0.003","90","","110.48","0.03","90","","2877.5","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 Cl N3 Ru -","- C31 H37 Cl N3 Ru -","- C124 H148 Cl4 N12 Ru4 -","4","1","","Ma, Chong; Ai, Chunjin; Li, Zhefu; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Synthesis and Alkyne Insertion Reactions of NHC-Based Cyclometalated Ruthenium(II) Complexes","Organometallics","2014","33","19","5164","","10.1021/om500369g","","","0.71073","MoKα","","0.0769","0.0617","","","0.1517","0.1631","","","","","","1.162","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084727","14.208","0.003","13.218","0.003","13.864","0.003","90","","94.57","0.03","90","","2595.4","1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 Cl N3 O2 Ru -","- C29 H32 Cl N3 O2 Ru -","- C116 H128 Cl4 N12 O8 Ru4 -","4","1","","Ma, Chong; Ai, Chunjin; Li, Zhefu; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Synthesis and Alkyne Insertion Reactions of NHC-Based Cyclometalated Ruthenium(II) Complexes","Organometallics","2014","33","19","5164","","10.1021/om500369g","","","0.71073","MoKα","","0.037","0.0327","","","0.0772","0.0795","","","","","","1.036","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084728","8.486","0.002","15.749","0.004","20.874","0.006","90","","93.836","0.005","90","","2783.5","1.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 Br N2 Ru -","- C33 H35 Br N2 Ru -","- C132 H140 Br4 N8 Ru4 -","4","1","","Ma, Chong; Ai, Chunjin; Li, Zhefu; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Synthesis and Alkyne Insertion Reactions of NHC-Based Cyclometalated Ruthenium(II) Complexes","Organometallics","2014","33","19","5164","","10.1021/om500369g","","","0.71073","MoKα","","0.0785","0.0649","","","0.1569","0.1657","","","","","","1.083","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084729","10.241","0.002","11.055","0.002","11.194","0.002","61.67","0.03","69.58","0.03","87.43","0.03","1034.2","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 Cl N2 Ru -","- C25 H25 Cl N2 Ru -","- C50 H50 Cl2 N4 Ru2 -","2","1","","Ma, Chong; Ai, Chunjin; Li, Zhefu; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Synthesis and Alkyne Insertion Reactions of NHC-Based Cyclometalated Ruthenium(II) Complexes","Organometallics","2014","33","19","5164","","10.1021/om500369g","","","0.71073","MoKα","","0.0281","0.025","","","0.0658","0.0667","","","","","","1.031","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084730","9.8062","0.0006","11.0049","0.0007","13.4473","0.0008","87.573","0.001","87.291","0.001","81.991","0.001","1434.48","0.15","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 Fe O6 P2 -","- C28 H42 Fe O6 P2 -","- C56 H84 Fe2 O12 P4 -","2","1","","Mei, Jiajun; Pardue, Daniel B.; Kalman, Steven E.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal","Oxygen Atom Insertion into Iron(II) Phenyl and Methyl Bonds: A Key Step for Catalytic Hydrocarbon Functionalization","Organometallics","2014","33","19","5597","","10.1021/om500914h","","","0.71073","MoKα","","0.0282","0.0275","","","0.0755","0.0759","","","","","","1.099","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084731","13.548","0.003","15.244","0.004","23.09","0.007","90","","95.701","0.007","90","","4745","2","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 F3 Ir N2 O4 S2 -","- C19 H32 F3 Ir N2 O4 S2 -","- C152 H256 F24 Ir8 N16 O32 S16 -","8","2","","Lehman, Matthew C.; Boyle, Paul D.; Sommer, Roger D.; Ison, Elon A.","Oxyfunctionalization with Cp*IrIII(NHC)(Me)L Complexes","Organometallics","2014","33","19","5081","","10.1021/om5007352","","","0.71073","MoKα","","0.091","0.0422","","","0.0811","0.0933","","","","","","1.063","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084732","8.6215","0.0003","12.0541","0.0004","12.7969","0.0004","75.66","0.002","87.416","0.002","87.231","0.002","1286.22","0.07","110","2","110","2","","","","","","","","8","P -1","-P 1","2","ML 1405","","","- C21.5 H29 Cl2 F3 Ir N3 O3 S -","- C21.5 H29 Cl2 F3 Ir N3 O3 S -","- C43 H58 Cl4 F6 Ir2 N6 O6 S2 -","2","1","","Lehman, Matthew C.; Boyle, Paul D.; Sommer, Roger D.; Ison, Elon A.","Oxyfunctionalization with Cp*IrIII(NHC)(Me)L Complexes","Organometallics","2014","33","19","5081","","10.1021/om5007352","","","0.71073","","","0.0284","0.024","","","0.051","0.0523","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084733","9.7134","0.0013","11.085","0.0015","21.093","0.003","82.108","0.002","84.676","0.002","76.085","0.002","2179.4","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C41.25 H61.5 B Cl0.5 F4 N4 O Os P2 -","- C41.25 H61.5 B Cl0.5 F4 N4 O Os P2 -","- C82.5 H123 B2 Cl F8 N8 O2 Os2 P4 -","2","1","","Alabau, Roberto G.; Eguillor, Beatriz; Esler, Jim; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Tsai, Jui-Yi; Xia, Chuanjun","CCC‒Pincer‒NHC Osmium Complexes: New Types of Blue-Green Emissive Neutral Compounds for Organic Light-Emitting Devices (OLEDs)","Organometallics","2014","33","19","5582","","10.1021/om500905t","","","0.71073","MoKα","","0.0593","0.0475","","","0.1227","0.1286","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084734","10.5475","0.0004","13.3567","0.0006","18.3539","0.0008","105.989","0.001","92.082","0.001","97.015","0.001","2460.41","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H73 B F4 N4 Os P2 -","- C52 H73 B F4 N4 Os P2 -","- C104 H146 B2 F8 N8 Os2 P4 -","2","1","","Alabau, Roberto G.; Eguillor, Beatriz; Esler, Jim; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Tsai, Jui-Yi; Xia, Chuanjun","CCC‒Pincer‒NHC Osmium Complexes: New Types of Blue-Green Emissive Neutral Compounds for Organic Light-Emitting Devices (OLEDs)","Organometallics","2014","33","19","5582","","10.1021/om500905t","","","0.71073","MoKα","","0.0364","0.0295","","","0.0625","0.0652","","","","","","1.029","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084735","15.091","0.005","16.749","0.005","15.335","0.005","90","","92.462","0.004","90","","3872","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 N4 Os P2 -","- C40 H60 N4 Os P2 -","- C160 H240 N16 Os4 P8 -","4","1","","Alabau, Roberto G.; Eguillor, Beatriz; Esler, Jim; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Tsai, Jui-Yi; Xia, Chuanjun","CCC‒Pincer‒NHC Osmium Complexes: New Types of Blue-Green Emissive Neutral Compounds for Organic Light-Emitting Devices (OLEDs)","Organometallics","2014","33","19","5582","","10.1021/om500905t","","","0.71073","MoKα","","0.0829","0.0498","","","0.0842","0.0936","","","","","","1.037","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084736","21.403","0.002","17.807","0.0019","22.402","0.002","90","","107.19","0.002","90","","8156.5","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47.75 H43 N8 Os -","- C47.75 H43 N8 Os -","- C382 H344 N64 Os8 -","8","2","","Alabau, Roberto G.; Eguillor, Beatriz; Esler, Jim; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Tsai, Jui-Yi; Xia, Chuanjun","CCC‒Pincer‒NHC Osmium Complexes: New Types of Blue-Green Emissive Neutral Compounds for Organic Light-Emitting Devices (OLEDs)","Organometallics","2014","33","19","5582","","10.1021/om500905t","","","0.71073","MoKα","","0.099","0.0551","","","0.1048","0.118","","","","","","0.987","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084737","14.5098","0.0007","14.5147","0.0007","14.6079","0.0007","67.987","0.001","63.509","0.001","69.717","0.001","2492.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H52 F3 N9 Os -","- C61 H52 F3 N9 Os -","- C122 H104 F6 N18 Os2 -","2","1","","Alabau, Roberto G.; Eguillor, Beatriz; Esler, Jim; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Tsai, Jui-Yi; Xia, Chuanjun","CCC‒Pincer‒NHC Osmium Complexes: New Types of Blue-Green Emissive Neutral Compounds for Organic Light-Emitting Devices (OLEDs)","Organometallics","2014","33","19","5582","","10.1021/om500905t","","","0.71073","MoKα","","0.0533","0.0428","","","0.1003","0.106","","","","","","1.079","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084738","13.8715","0.0003","13.9886","0.0003","14.2318","0.0003","64.449","0.002","61.369","0.002","62.9117","0.0019","2076.21","0.09","220","","220","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H49 Br4 Cl19.5 N6 Pd2 -","- C70 H50 Br4 Cl19.5 N6 Pd2 -","- C70 H50 Br4 Cl19.5 N6 Pd2 -","1","0.5","","Ruiz-Botella, Sheila; Peris, Eduardo","Phenylene- and Biphenylene-Bridged Bis-Imidazolylidenes of Palladium. Influence of the Presence of Pyrene Tags on the Catalytic Activity of the Complexes","Organometallics","2014","33","19","5509","","10.1021/om500765u","","","0.71073","MoKα","","0.0999","0.0807","","","0.2536","0.2849","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084739","14.719","0.003","14.721","0.003","20.342","0.004","106.02","0.03","92.77","0.03","94.43","0.03","4212.7","1.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C103.5 H85 B Cl2.5 N2 O2 P3 Ru -","- C103.5 H85 B Cl2.5 N2 O2 P3 Ru -","- C207 H170 B2 Cl5 N4 O4 P6 Ru2 -","2","1","","Zhang, Hong; Lin, Ran; Li, Jinhua; Zhu, Jun; Xia, Haiping","Interconversion between Ruthenacyclohexadiene and Ruthenabenzene: A Combined Experimental and Theoretical Study","Organometallics","2014","33","19","5606","","10.1021/om500550a","","","0.71073","MoKα","","0.1222","0.0569","","","0.1239","0.158","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084740","8.5603","0.0005","15.9394","0.0003","20.7631","0.0005","67.442","0.006","86.579","0.008","78.161","0.007","2560.1","0.2","113.1","","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H65 Cl2 N6 -","- C58 H60 Cl2 N6 -","- C116 H120 Cl4 N12 -","2","1","","Takeuchi, Daisuke; Takano, Shigenaga; Takeuchi, Yuji; Osakada, Kohtaro","Ethylene Polymerization at High Temperatures Catalyzed by Double-Decker-Type Dinuclear Iron and Cobalt Complexes: Dimer Effect on Stability of the Catalyst and Polydispersity of the Product","Organometallics","2014","33","19","5316","","10.1021/om500629a","","","0.7107","MoKα","","0.1281","0.0962","","","0.2891","0.3287","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084741","25.183","0.005","13.554","0.003","19.833","0.004","90","","95.394","0.009","90","","6740","2","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H66 Cl12 Co2 N6 -","- C58 H66 Cl12 Co2 N6 -","- C232 H264 Cl48 Co8 N24 -","4","0.5","","Takeuchi, Daisuke; Takano, Shigenaga; Takeuchi, Yuji; Osakada, Kohtaro","Ethylene Polymerization at High Temperatures Catalyzed by Double-Decker-Type Dinuclear Iron and Cobalt Complexes: Dimer Effect on Stability of the Catalyst and Polydispersity of the Product","Organometallics","2014","33","19","5316","","10.1021/om500629a","","","0.7107","MoKα","","","0.135","","","","0.3974","","","","","","1.191","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084742","16.4731","0.001","10.7331","0.0008","18.2521","0.0013","90","","113.487","0.004","90","","2959.7","0.4","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 Cl N4 O3 P Ru -","- C31 H30 Cl N4 O3 P Ru -","- C124 H120 Cl4 N16 O12 P4 Ru4 -","4","1","","Strinitz, Frank; Tucher, Johannes; Januszewski, Johanna A.; Waterloo, Andreas R.; Stegner, Philipp; Förtsch, Sebastian; Hübner, Eike; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-Rich Ruthenium Allenylidene Complexes Bearing Heteroscorpionate Ligands","Organometallics","2014","33","19","5129","","10.1021/om5002777","","x-ray","0.71073","MoKα","","0.073","0.0443","","","0.0909","0.1019","","","","","","1.021","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084743","15.534","0.003","19.993","0.004","24.814","0.005","90","","90","","90","","7707","3","150","2","150","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C45 H40 Cl N4 O3 P Ru -","- C45 H40 Cl N4 O3 P Ru -","- C360 H320 Cl8 N32 O24 P8 Ru8 -","8","1","","Strinitz, Frank; Tucher, Johannes; Januszewski, Johanna A.; Waterloo, Andreas R.; Stegner, Philipp; Förtsch, Sebastian; Hübner, Eike; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-Rich Ruthenium Allenylidene Complexes Bearing Heteroscorpionate Ligands","Organometallics","2014","33","19","5129","","10.1021/om5002777","","x-ray","0.71073","MoKα","","0.0622","0.0389","","","0.0762","0.0855","","","","","","1.172","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084744","12.027","0.001","12.4223","0.0006","14.9179","0.0013","98.766","0.005","95.117","0.008","97.919","0.006","2167.9","0.3","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C47 H42 Cl5 N4 O2 P Ru -","- C47 H42 Cl5 N4 O2 P Ru -","- C94 H84 Cl10 N8 O4 P2 Ru2 -","2","1","","Strinitz, Frank; Tucher, Johannes; Januszewski, Johanna A.; Waterloo, Andreas R.; Stegner, Philipp; Förtsch, Sebastian; Hübner, Eike; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-Rich Ruthenium Allenylidene Complexes Bearing Heteroscorpionate Ligands","Organometallics","2014","33","19","5129","","10.1021/om5002777","","x-ray","0.71073","MoKα","","0.0737","0.0654","","","0.1739","0.181","","","","","","1.061","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084745","12.7183","0.0013","12.9619","0.0004","14.5615","0.0011","86.985","0.005","69.949","0.006","77.142","0.006","2197.7","0.3","153","2","153","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C47 H40 Cl3 N4 O3 P Ru -","- C47 H40 Cl3 N4 O3 P Ru -","- C94 H80 Cl6 N8 O6 P2 Ru2 -","2","1","","Strinitz, Frank; Tucher, Johannes; Januszewski, Johanna A.; Waterloo, Andreas R.; Stegner, Philipp; Förtsch, Sebastian; Hübner, Eike; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-Rich Ruthenium Allenylidene Complexes Bearing Heteroscorpionate Ligands","Organometallics","2014","33","19","5129","","10.1021/om5002777","","x-ray","0.71073","MoKα","","0.0475","0.045","","","0.1097","0.1111","","","","","","1.233","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084746","12.1411","0.0007","12.4107","0.0011","14.8427","0.0012","93.01","0.008","98.019","0.005","98.291","0.005","2185.4","0.3","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C46 H38 Cl N4 O3 P Ru -","- C46 H38 Cl N4 O3 P Ru -","- C92 H76 Cl2 N8 O6 P2 Ru2 -","2","1","","Strinitz, Frank; Tucher, Johannes; Januszewski, Johanna A.; Waterloo, Andreas R.; Stegner, Philipp; Förtsch, Sebastian; Hübner, Eike; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-Rich Ruthenium Allenylidene Complexes Bearing Heteroscorpionate Ligands","Organometallics","2014","33","19","5129","","10.1021/om5002777","","x-ray","0.71073","MoKα","","0.0362","0.0315","","","0.0932","0.096","","","","","","1.089","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084747","12.4473","0.0011","13.2515","0.001","15.417","0.0009","82.283","0.006","83.333","0.006","85.279","0.006","2497.1","0.3","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C56 H46 Cl5 N4 O3 P Ru -","- C56 H46 Cl5 N4 O3 P Ru -","- C112 H92 Cl10 N8 O6 P2 Ru2 -","2","1","","Strinitz, Frank; Tucher, Johannes; Januszewski, Johanna A.; Waterloo, Andreas R.; Stegner, Philipp; Förtsch, Sebastian; Hübner, Eike; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-Rich Ruthenium Allenylidene Complexes Bearing Heteroscorpionate Ligands","Organometallics","2014","33","19","5129","","10.1021/om5002777","","x-ray","0.71073","MoKα","","0.0829","0.0506","","","0.091","0.1015","","","","","","1.037","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084748","11.095","0.002","11.579","0.002","20.263","0.004","103.341","0.018","92.26","0.013","94.627","0.016","2520.1","0.8","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C55 H46 Cl5 N4 O2 P Ru -","- C55 H46 Cl5 N4 O2 P Ru -","- C110 H92 Cl10 N8 O4 P2 Ru2 -","2","1","","Strinitz, Frank; Tucher, Johannes; Januszewski, Johanna A.; Waterloo, Andreas R.; Stegner, Philipp; Förtsch, Sebastian; Hübner, Eike; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-Rich Ruthenium Allenylidene Complexes Bearing Heteroscorpionate Ligands","Organometallics","2014","33","19","5129","","10.1021/om5002777","","x-ray","0.71073","MoKα","","0.1302","0.0792","","","0.1699","0.1928","","","","","","1.047","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084749","11.9935","0.0003","37.6087","0.0007","19.3005","0.0008","90","","101.956","0.004","90","","8516.8","0.5","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C102 H86 B Cl4 O Os P4 -","- C102 H86 B Cl4 O Os P4 -","- C408 H344 B4 Cl16 O4 Os4 P16 -","4","1","","Han, Feifei; Wang, Tongdao; Li, Jinhua; Zhang, Hong; Zhang, Laiying; He, Xumin; Xia, Haiping","Synthesis, Structure, and Reactivity of an Osmacyclopentene Complex","Organometallics","2014","33","19","5301","","10.1021/om500616s","","","0.71073","MoKα","","0.0923","0.0524","","","0.1203","0.1518","","","","","","1","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084750","12.119","0.0004","12.335","0.0006","19.7737","0.0006","75.068","0.003","77.403","0.003","62.691","0.004","2520.56","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H50 Cl4 O0.5 Os P3 -","- C60 H50 Cl4 O0.5 Os P3 -","- C120 H100 Cl8 O Os2 P6 -","2","1","","Han, Feifei; Wang, Tongdao; Li, Jinhua; Zhang, Hong; Zhang, Laiying; He, Xumin; Xia, Haiping","Synthesis, Structure, and Reactivity of an Osmacyclopentene Complex","Organometallics","2014","33","19","5301","","10.1021/om500616s","","","0.71073","MoKα","","0.0455","0.0326","","","0.0478","0.0489","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084751","12.6974","0.0003","21.4782","0.0005","19.9049","0.0005","90","","97.199","0.002","90","","5385.6","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61.5 H48 Cl N2 Os P3 S2 -","- C61.5 H48 Cl N2 Os P3 S2 -","- C246 H192 Cl4 N8 Os4 P12 S8 -","4","1","","Han, Feifei; Wang, Tongdao; Li, Jinhua; Zhang, Hong; Zhang, Laiying; He, Xumin; Xia, Haiping","Synthesis, Structure, and Reactivity of an Osmacyclopentene Complex","Organometallics","2014","33","19","5301","","10.1021/om500616s","","","0.71073","MoKα","","0.0422","0.0309","","","0.0928","0.0952","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084752","12.709","0.0003","19.6956","0.0006","22.2298","0.0006","90","","96.173","0.002","90","","5532.1","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 Cl3 N2 Os P3 S2 -","- C62 H50 Cl3 N2 Os P3 S2 -","- C248 H200 Cl12 N8 Os4 P12 S8 -","4","1","","Han, Feifei; Wang, Tongdao; Li, Jinhua; Zhang, Hong; Zhang, Laiying; He, Xumin; Xia, Haiping","Synthesis, Structure, and Reactivity of an Osmacyclopentene Complex","Organometallics","2014","33","19","5301","","10.1021/om500616s","","","0.71073","MoKα","","0.0339","0.023","","","0.0416","0.0424","","","","","","1","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084753","13.7115","0.0006","14.1888","0.0007","19.7024","0.0009","80.249","0.004","89.522","0.004","75.278","0.004","3651.3","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C83 H70 Cl4 N2 O Os P4 S2 -","- C83 H70 Cl4 N2 O Os P4 S2 -","- C166 H140 Cl8 N4 O2 Os2 P8 S4 -","2","1","","Han, Feifei; Wang, Tongdao; Li, Jinhua; Zhang, Hong; Zhang, Laiying; He, Xumin; Xia, Haiping","Synthesis, Structure, and Reactivity of an Osmacyclopentene Complex","Organometallics","2014","33","19","5301","","10.1021/om500616s","","","0.71073","MoKα","","0.0766","0.0555","","","0.1206","0.1338","","","","","","1","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084754","20.4029","0.0011","13.2486","0.0008","33.8848","0.0018","90","","93.936","0.003","90","","9137.8","0.9","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100 H125 Au3 F18 N13 O5 P3 -","- C80 H56 Au3 F18 N13 P3 -","- C320 H224 Au12 F72 N52 P12 -","4","1","","Sinha, Narayan; Roelfes, Florian; Hepp, Alexander; Mejuto, Carmen; Peris, Eduardo; Hahn, F. Ekkehardt","Synthesis of Nanometer-Sized Cylinder-Like Structures from a 1,3,5-Triphenylbenzene-Bridged Tris-NHC Ligand and AgI, AuI, and CuI","Organometallics","2014","33","23","6898","","10.1021/om500973b","","","0.71073","MoKα","","0.1105","0.0585","","","0.1473","0.1632","","","","","","0.987","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084755","8.7486","0.0003","21.4248","0.0006","12.2178","0.0004","90","","109.027","0.003","90","","2164.95","0.13","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H66 F12 Ni2 O2 P6 -","- C28 H66 F12 Ni2 O2 P6 -","- C56 H132 F24 Ni4 O4 P12 -","2","0.5","","Morales-Becerril, Illán; Flores-Álamo, Marcos; Tlahuext-Aca, Adrián; Arévalo, Alma; García, Juventino J.","Synthesis of Low-Valent Nickel Complexes in Aqueous Media, Mechanistic Insights, and Selected Applications","Organometallics","2014","33","23","6796","","10.1021/om500767p","","","1.54184","CuKα","","0.0618","0.0448","","","0.1044","0.1149","","","","","","1.026","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084756","26.801","0.003","9.0364","0.0009","33.051","0.002","90","","102.855","0.007","90","","7803.8","1.3","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H67 F6 Ni O2 P5 -","- C28 H67 F6 Ni O2 P5 -","- C224 H536 F48 Ni8 O16 P40 -","8","1","","Morales-Becerril, Illán; Flores-Álamo, Marcos; Tlahuext-Aca, Adrián; Arévalo, Alma; García, Juventino J.","Synthesis of Low-Valent Nickel Complexes in Aqueous Media, Mechanistic Insights, and Selected Applications","Organometallics","2014","33","23","6796","","10.1021/om500767p","","","1.5418","CuKα","","0.1167","0.0783","","","0.2043","0.2454","","","","","","1.028","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084757","9.9566","0.0005","18.054","0.0007","13.3669","0.0006","90","","110.317","0.005","90","","2253.3","0.19","130","2","130","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C18 H32 F6 Ni P2 -","- C18 H32 F6 Ni P2 -","- C72 H128 F24 Ni4 P8 -","4","1","","Morales-Becerril, Illán; Flores-Álamo, Marcos; Tlahuext-Aca, Adrián; Arévalo, Alma; García, Juventino J.","Synthesis of Low-Valent Nickel Complexes in Aqueous Media, Mechanistic Insights, and Selected Applications","Organometallics","2014","33","23","6796","","10.1021/om500767p","","x-ray","0.71073","MoKα","","0.0334","0.0293","","","0.0723","0.0737","","","","","","1.005","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084758","22.844","0.003","13.4007","0.0005","18.419","0.002","90","","137.56","0.02","90","","3805","1.6","120","2","120","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H32 Ni O3 P2 -","- C15 H32 Ni O3 P2 -","- C120 H256 Ni8 O24 P16 -","8","1","","Morales-Becerril, Illán; Flores-Álamo, Marcos; Tlahuext-Aca, Adrián; Arévalo, Alma; García, Juventino J.","Synthesis of Low-Valent Nickel Complexes in Aqueous Media, Mechanistic Insights, and Selected Applications","Organometallics","2014","33","23","6796","","10.1021/om500767p","","x-ray","0.71073","MoKα","","0.0642","0.0437","","","0.0962","0.1069","","","","","","1.047","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084759","20.0927","0.0012","8.4252","0.0004","10.4986","0.0006","90","","104.39","0.006","90","","1721.5","0.17","130","2","130","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H32 O2 P2 -","- C14 H32 O2 P2 -","- C56 H128 O8 P8 -","4","0.5","","Morales-Becerril, Illán; Flores-Álamo, Marcos; Tlahuext-Aca, Adrián; Arévalo, Alma; García, Juventino J.","Synthesis of Low-Valent Nickel Complexes in Aqueous Media, Mechanistic Insights, and Selected Applications","Organometallics","2014","33","23","6796","","10.1021/om500767p","","x-ray","0.71073","MoKα","","0.0418","0.0358","","","0.0962","0.0998","","","","","","1.044","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084760","8.8766","0.0005","12.4744","0.0004","12.4891","0.0006","77.339","0.004","73.837","0.004","80.778","0.004","1288.67","0.11","130","2","130","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C18 H39 F3 Ni O5 P2 S -","- C18 H39 F3 Ni O5 P2 S -","- C36 H78 F6 Ni2 O10 P4 S2 -","2","1","","Morales-Becerril, Illán; Flores-Álamo, Marcos; Tlahuext-Aca, Adrián; Arévalo, Alma; García, Juventino J.","Synthesis of Low-Valent Nickel Complexes in Aqueous Media, Mechanistic Insights, and Selected Applications","Organometallics","2014","33","23","6796","","10.1021/om500767p","","x-ray","0.71073","MoKα","","0.0493","0.0438","","","0.1001","0.1027","","","","","","1.106","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084761","11.041","0.0005","16.7131","0.0008","17.6947","0.0007","90","","100.419","0.002","90","","3211.4","0.2","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N -","- C21 H19 N -","- C168 H152 N8 -","8","2","","Loose, Florian; Plettenberg, Inka; Haase, Detlev; Saak, Wolfgang; Schmidtmann, Marc; Schäfer, André; Müller, Thomas; Beckhaus, Rüdiger","Aromatic Imines in the Titanocene Coordination Sphere—Titanaaziridine vs 1-Aza-2-titanacyclopent-4-ene Structures","Organometallics","2014","33","23","6785","","10.1021/om500750y","","","0.71073","MoKα","","0.077","0.0515","","","0.1389","0.1584","","","","","","1.017","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084762","10.9609","0.0002","16.6816","0.0003","20.7506","0.0004","90","","90","","90","","3794.15","0.12","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N Ti -","- C24 H23 N Ti -","- C192 H184 N8 Ti8 -","8","1","","Loose, Florian; Plettenberg, Inka; Haase, Detlev; Saak, Wolfgang; Schmidtmann, Marc; Schäfer, André; Müller, Thomas; Beckhaus, Rüdiger","Aromatic Imines in the Titanocene Coordination Sphere—Titanaaziridine vs 1-Aza-2-titanacyclopent-4-ene Structures","Organometallics","2014","33","23","6785","","10.1021/om500750y","","","0.71073","MoKα","","0.0706","0.0392","","","0.0883","0.1045","","","","","","1.029","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084763","21.42","0.005","8.764","0.002","38.323","0.009","90","","97.464","0.008","90","","7133","3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 N Ti -","- C31 H29 N Ti -","- C372 H348 N12 Ti12 -","12","3","","Loose, Florian; Plettenberg, Inka; Haase, Detlev; Saak, Wolfgang; Schmidtmann, Marc; Schäfer, André; Müller, Thomas; Beckhaus, Rüdiger","Aromatic Imines in the Titanocene Coordination Sphere—Titanaaziridine vs 1-Aza-2-titanacyclopent-4-ene Structures","Organometallics","2014","33","23","6785","","10.1021/om500750y","","","0.71073","MoKα","","0.1848","0.0886","","","0.189","0.2318","","","","","","1.051","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084764","16.4824","0.0004","8.1061","0.0002","39.8669","0.0011","90","","100.262","0.001","90","","5241.3","0.2","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C31 H34 Cl N Ti -","- C31 H34 Cl N Ti -","- C248 H272 Cl8 N8 Ti8 -","8","1","","Loose, Florian; Plettenberg, Inka; Haase, Detlev; Saak, Wolfgang; Schmidtmann, Marc; Schäfer, André; Müller, Thomas; Beckhaus, Rüdiger","Aromatic Imines in the Titanocene Coordination Sphere—Titanaaziridine vs 1-Aza-2-titanacyclopent-4-ene Structures","Organometallics","2014","33","23","6785","","10.1021/om500750y","","","0.71073","MoKα","","0.061","0.0377","","","0.0888","0.0995","","","","","","1.02","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084765","38.0161","0.0014","8.1587","0.0004","14.438","0.0005","90","","96.869","0.002","90","","4446","0.3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 N O Ti -","- C27 H29 N O Ti -","- C216 H232 N8 O8 Ti8 -","8","1","","Loose, Florian; Plettenberg, Inka; Haase, Detlev; Saak, Wolfgang; Schmidtmann, Marc; Schäfer, André; Müller, Thomas; Beckhaus, Rüdiger","Aromatic Imines in the Titanocene Coordination Sphere—Titanaaziridine vs 1-Aza-2-titanacyclopent-4-ene Structures","Organometallics","2014","33","23","6785","","10.1021/om500750y","","","0.71073","MoKα","","0.1542","0.0694","","","0.1285","0.156","","","","","","0.96","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084766","8.2638","0.0004","12.0184","0.0005","18.0299","0.0008","98.159","0.002","90.25","0.002","105.906","0.002","1702.93","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H40 B Ir N6 O6 -","- C31 H40 B Ir N6 O6 -","- C62 H80 B2 Ir2 N12 O12 -","2","1","","Vivancos, Ángela; Posadas, Cristina M.; Hernández, Yohar A.; Rendón, Nuria; Garc\?ía-Rub\?ín, Silvia; Álvarez, Eleuterio; Paneque, Margarita; Poveda, Manuel L.","Reactivity of TpMe2-Containing Hydride‒Iridafurans with Alkenes, Alkynes, and H2","Organometallics","2014","33","22","6431","","10.1021/om500789f","","","0.71073","MoKα","","0.0184","0.0176","","","0.0605","0.0612","","","","","","1.125","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084767","8.618","0.0002","12.6109","0.0003","19.4614","0.0004","107.994","0.001","93.427","0.001","105.508","0.001","1914.86","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H86 B2 Cl2 Ir2 N12 O20 -","- C71 H86 B2 Cl2 Ir2 N12 O20 -","- C71 H86 B2 Cl2 Ir2 N12 O20 -","1","0.5","","Vivancos, Ángela; Posadas, Cristina M.; Hernández, Yohar A.; Rendón, Nuria; Garc\?ía-Rub\?ín, Silvia; Álvarez, Eleuterio; Paneque, Margarita; Poveda, Manuel L.","Reactivity of TpMe2-Containing Hydride‒Iridafurans with Alkenes, Alkynes, and H2","Organometallics","2014","33","22","6431","","10.1021/om500789f","","","0.71073","MoKα","","0.0262","0.0234","","","0.0673","0.0686","","","","","","0.996","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084768","17.2496","0.0013","17.2877","0.0014","25.6049","0.0017","90","","98.64","0.003","90","","7548.9","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 B Ir N6 O10 -","- C34 H40 B Ir N6 O10 -","- C272 H320 B8 Ir8 N48 O80 -","8","2","","Vivancos, Ángela; Posadas, Cristina M.; Hernández, Yohar A.; Rendón, Nuria; Garc\?ía-Rub\?ín, Silvia; Álvarez, Eleuterio; Paneque, Margarita; Poveda, Manuel L.","Reactivity of TpMe2-Containing Hydride‒Iridafurans with Alkenes, Alkynes, and H2","Organometallics","2014","33","22","6431","","10.1021/om500789f","","","0.71073","MoKα","","0.0687","0.0447","","","0.1083","0.118","","","","","","0.997","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084769","10.8115","0.0002","12.2653","0.0003","18.3622","0.0004","85.3288","0.0007","86.9167","0.0007","72.4998","0.0007","2313.43","0.09","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H75 N4 Si2 V -","- C45 H75 N4 Si2 V -","- C90 H150 N8 Si4 V2 -","2","1","","Nomura, Kotohiro; Bahuleyan, Bijal Kottukkal; Tsutsumi, Ken; Igarashi, Atsushi","Synthesis of (Imido)vanadium(V) Alkyl and Alkylidene Complexes Containing Imidazolidin-2-iminato Ligands: Effect of Imido Ligand on ROMP and 1,2-C‒H Bond Activation of Benzene","Organometallics","2014","33","22","6682","","10.1021/om500986m","","","0.71075","MoKα","","","0.0408","","","","0.1122","","","","","","1.167","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084770","9.5493","0.0011","10.6865","0.0012","13.753","0.0013","71.935","0.003","69.964","0.003","84.546","0.004","1253.4","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 Al2 N6 Sm -","- C54 H62 Al2 N6 Sm -","- C54 H62 Al2 N6 Sm -","1","0.5","","García-Rodríguez, Raúl; Simmonds, Hayley R.; Wright, Dominic S.","Formation of a Heterometallic AlIII/SmIIIComplex Involving a Novel [EtAl(2-py)2O]2‒Ligand (2-py = 2-Pyridyl)","Organometallics","2014","33","24","7113","","10.1021/om5009132","","","0.71069","MoKα","","0.0387","0.0351","","","0.0795","0.091","","","","","","1.094","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084771","12.8425","0.0001","12.9959","0.0001","14.3642","0.0002","93.539","0.001","99.712","0.001","116.661","0.001","2085.92","0.04","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H92 Al4 N10 O2 Sm2 -","- C86 H92 Al4 N10 O2 Sm2 -","- C86 H92 Al4 N10 O2 Sm2 -","1","0.5","","García-Rodríguez, Raúl; Simmonds, Hayley R.; Wright, Dominic S.","Formation of a Heterometallic AlIII/SmIIIComplex Involving a Novel [EtAl(2-py)2O]2‒Ligand (2-py = 2-Pyridyl)","Organometallics","2014","33","24","7113","","10.1021/om5009132","","","0.71073","MoKα","","0.0457","0.0424","","","0.1176","0.1207","","","","","","1.068","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084772","12.7369","0.0001","13.0219","0.0002","13.3823","0.0003","105.862","0.001","94.212","0.001","118.289","0.001","1825.28","0.06","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H84 Al4 N10 O6 Sm2 -","- C70 H84 Al4 N10 O6 Sm2 -","- C70 H84 Al4 N10 O6 Sm2 -","1","0.5","","García-Rodríguez, Raúl; Simmonds, Hayley R.; Wright, Dominic S.","Formation of a Heterometallic AlIII/SmIIIComplex Involving a Novel [EtAl(2-py)2O]2‒Ligand (2-py = 2-Pyridyl)","Organometallics","2014","33","24","7113","","10.1021/om5009132","","","0.71073","MoKα","","0.0595","0.0381","","","0.0848","0.0915","","","","","","1","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084773","9.9616","0.0003","10.9075","0.0003","12.0553","0.0004","90","","104.174","0.002","90","","1270.01","0.07","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 I2 Li2 N4 -","- C24 H24 I2 Li2 N4 -","- C48 H48 I4 Li4 N8 -","2","0.5","","García-Rodríguez, Raúl; Simmonds, Hayley R.; Wright, Dominic S.","Formation of a Heterometallic AlIII/SmIIIComplex Involving a Novel [EtAl(2-py)2O]2‒Ligand (2-py = 2-Pyridyl)","Organometallics","2014","33","24","7113","","10.1021/om5009132","","","0.71073","MoKα","","0.0325","0.0255","","","0.0541","0.0579","","","","","","1.096","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084774","15.3095","0.0002","17.2789","0.0003","20.0357","0.0003","90","","90","","90","","5300.07","0.14","100","","100","","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C21 H40 Ni O3 P2 Si -","- C21 H40 Ni O3 P2 Si -","- C168 H320 Ni8 O24 P16 Si8 -","8","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","POCOP-Ligated Nickel Siloxide Complexes: Syntheses, Characterization, and Reactivities","Organometallics","2014","33","22","6568","","10.1021/om500916d","","","1.54178","CuKα","","0.0266","0.0262","","","0.0738","0.0742","","","","","","1.044","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084775","20.8783","0.0009","11.9099","0.0005","11.3431","0.0005","90","","90","","90","","2820.6","0.2","250","","250","","","","","","","","Synthesized by the authors. See text","5","P n a 21","P 2c -2n","33","","","","- C27 H42 Ni O3 P2 -","- C27 H42 Ni O3 P2 -","- C108 H168 Ni4 O12 P8 -","4","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","POCOP-Ligated Nickel Siloxide Complexes: Syntheses, Characterization, and Reactivities","Organometallics","2014","33","22","6568","","10.1021/om500916d","","","1.54178","CuKα","","0.0734","0.0732","","","0.192","0.1924","","","","","","1.065","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084776","12.5999","0.0003","10.9706","0.0003","27.2347","0.0007","90","","90.844","0.001","90","","3764.2","0.17","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H50 Ni O3 P2 Si -","- C39.5 H50 Ni O3 P2 Si -","- C158 H200 Ni4 O12 P8 Si4 -","4","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","POCOP-Ligated Nickel Siloxide Complexes: Syntheses, Characterization, and Reactivities","Organometallics","2014","33","22","6568","","10.1021/om500916d","","","1.54178","CuKα","","0.033","0.032","","","0.0874","0.0882","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084777","10.8571","0.0002","15.7956","0.0003","19.8942","0.0004","90","","99.974","0.001","90","","3360.18","0.11","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 Ni O3 P2 Si -","- C33 H48 Ni O3 P2 Si -","- C132 H192 Ni4 O12 P8 Si4 -","4","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","POCOP-Ligated Nickel Siloxide Complexes: Syntheses, Characterization, and Reactivities","Organometallics","2014","33","22","6568","","10.1021/om500916d","","","1.54178","CuKα","","0.0354","0.0333","","","0.091","0.0931","","","","","","1.028","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084778","7.7256","0.0003","11.7638","0.0004","11.8184","0.0004","90","","94.969","0.002","90","","1070.05","0.07","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21 1","P 2yb","4","","","","- C18 H31 N3 Ni O2 P2 -","- C18 H31 N3 Ni O2 P2 -","- C36 H62 N6 Ni2 O4 P4 -","2","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","POCOP-Ligated Nickel Siloxide Complexes: Syntheses, Characterization, and Reactivities","Organometallics","2014","33","22","6568","","10.1021/om500916d","","","1.54178","CuKα","","0.0299","0.029","","","0.0752","0.0759","","","","","","1.056","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084779","8.4288","0.0006","17.2331","0.0012","14.3787","0.001","90","","98.195","0.003","90","","2067.2","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 N3 Ni O2 P2 -","- C15 H33 N3 Ni O2 P2 -","- C60 H132 N12 Ni4 O8 P8 -","4","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","POCOP-Ligated Nickel Siloxide Complexes: Syntheses, Characterization, and Reactivities","Organometallics","2014","33","22","6568","","10.1021/om500916d","","","1.54178","CuKα","","0.0329","0.0323","","","0.0917","0.0923","","","","","","1.063","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084780","12.5789","0.0004","11.8184","0.0004","28.1956","0.001","90","","90","","90","","4191.6","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C21.33 H44 F4 Ni1.33 O2.67 P2.67 -","- C21.3333 H44 F4 Ni1.33333 O2.66667 P2.66667 -","- C128 H264 F24 Ni8 O16 P16 -","6","0.75","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","POCOP-Ligated Nickel Siloxide Complexes: Syntheses, Characterization, and Reactivities","Organometallics","2014","33","22","6568","","10.1021/om500916d","","","1.54178","CuKα","","0.0322","0.0321","","","0.0871","0.0873","","","","","","1.063","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084781","13.4731","0.0007","13.5878","0.0007","14.8653","0.0008","106.012","0.001","98.189","0.001","100.218","0.001","2521.1","0.2","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H30 Ir N2 O12.5 S2 -","- C20 H30 Ir N2 O12.5 S2 -","- C80 H120 Ir4 N8 O50 S8 -","4","2","","Suna, Yuki; Ertem, Mehmed Z.; Wang, Wan-Hui; Kambayashi, Hide; Manaka, Yuichi; Muckerman, James T.; Fujita, Etsuko; Himeda, Yuichiro","Positional Effects of Hydroxy Groups on Catalytic Activity of Proton-Responsive Half-Sandwich Cp*Iridium(III) Complexes","Organometallics","2014","33","22","6519","","10.1021/om500832d","","","0.71073","MoKα","","0.0238","0.0226","","","0.0572","0.0584","","","","","","1.045","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4084782","7.9424","0.0003","18.4667","0.0007","16.4824","0.0006","90","","103.01","","90","","2355.42","0.15","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 F3 Ir N2 O6 S -","- C21 H24 F3 Ir N2 O6 S -","- C84 H96 F12 Ir4 N8 O24 S4 -","4","1","","Suna, Yuki; Ertem, Mehmed Z.; Wang, Wan-Hui; Kambayashi, Hide; Manaka, Yuichi; Muckerman, James T.; Fujita, Etsuko; Himeda, Yuichiro","Positional Effects of Hydroxy Groups on Catalytic Activity of Proton-Responsive Half-Sandwich Cp*Iridium(III) Complexes","Organometallics","2014","33","22","6519","","10.1021/om500832d","","","0.71073","MoKα","","0.0194","0.0164","","","0.0408","0.0416","","","","","","1.062","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4084783","7.8579","0.0004","14.4489","0.0007","16.526","0.0008","90","","103","","90","","1828.24","0.16","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Ir N2 O4 -","- C20 H25 Ir N2 O4 -","- C80 H100 Ir4 N8 O16 -","4","1","","Suna, Yuki; Ertem, Mehmed Z.; Wang, Wan-Hui; Kambayashi, Hide; Manaka, Yuichi; Muckerman, James T.; Fujita, Etsuko; Himeda, Yuichiro","Positional Effects of Hydroxy Groups on Catalytic Activity of Proton-Responsive Half-Sandwich Cp*Iridium(III) Complexes","Organometallics","2014","33","22","6519","","10.1021/om500832d","","","0.71073","MoKα","","0.016","0.0154","","","0.0383","0.0387","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4084784","28.6467","0.0011","11.0302","0.0004","19.8652","0.0007","90","","133.518","0.001","90","","4551.8","0.3","243","2","243","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H58 Ir2 N4 O19 S2 -","- C40 H56 Ir2 N4 O19 S2 -","- C160 H224 Ir8 N16 O76 S8 -","4","0.5","","Suna, Yuki; Ertem, Mehmed Z.; Wang, Wan-Hui; Kambayashi, Hide; Manaka, Yuichi; Muckerman, James T.; Fujita, Etsuko; Himeda, Yuichiro","Positional Effects of Hydroxy Groups on Catalytic Activity of Proton-Responsive Half-Sandwich Cp*Iridium(III) Complexes","Organometallics","2014","33","22","6519","","10.1021/om500832d","","","0.71073","MoKα","","0.0177","0.016","","","0.0406","0.0412","","","","","","1.042","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4084785","20.279","0.0009","11.6509","0.0005","9.7011","0.0004","90","","96.6411","0.0005","90","","2276.69","0.17","243","2","243","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H31 Ir N2 O7 -","- C20 H27 Ir N2 O7 -","- C80 H108 Ir4 N8 O28 -","4","0.5","","Suna, Yuki; Ertem, Mehmed Z.; Wang, Wan-Hui; Kambayashi, Hide; Manaka, Yuichi; Muckerman, James T.; Fujita, Etsuko; Himeda, Yuichiro","Positional Effects of Hydroxy Groups on Catalytic Activity of Proton-Responsive Half-Sandwich Cp*Iridium(III) Complexes","Organometallics","2014","33","22","6519","","10.1021/om500832d","","","0.71073","MoKα","","0.0214","0.0211","","","0.0596","0.0598","","","","","","1.045","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084786","10.2412","0.0005","11.272","0.0005","11.5396","0.0005","62.404","0.001","81.467","0.001","81.479","0.001","1162.7","0.09","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H31 Ir N2 O10 S -","- C20 H31 Ir N2 O10 S -","- C40 H62 Ir2 N4 O20 S2 -","2","1","","Suna, Yuki; Ertem, Mehmed Z.; Wang, Wan-Hui; Kambayashi, Hide; Manaka, Yuichi; Muckerman, James T.; Fujita, Etsuko; Himeda, Yuichiro","Positional Effects of Hydroxy Groups on Catalytic Activity of Proton-Responsive Half-Sandwich Cp*Iridium(III) Complexes","Organometallics","2014","33","22","6519","","10.1021/om500832d","","","0.71073","MoKα","","0.0173","0.017","","","0.0418","0.0419","","","","","","0.97","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4084787","22.0411","0.0011","20.1359","0.0011","12.8316","0.0007","90","","110.882","0.001","90","","5320.8","0.5","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 Ir N2 O11.5 S -","- C20 H34 Ir N2 O11.5 S -","- C160 H272 Ir8 N16 O92 S8 -","8","1","","Suna, Yuki; Ertem, Mehmed Z.; Wang, Wan-Hui; Kambayashi, Hide; Manaka, Yuichi; Muckerman, James T.; Fujita, Etsuko; Himeda, Yuichiro","Positional Effects of Hydroxy Groups on Catalytic Activity of Proton-Responsive Half-Sandwich Cp*Iridium(III) Complexes","Organometallics","2014","33","22","6519","","10.1021/om500832d","","","0.71073","MoKα","","0.0178","0.0163","","","0.041","0.0415","","","","","","1.056","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4084788","8.702","0.0003","16.1159","0.0006","14.0281","0.0005","90","","90","","90","","1967.31","0.12","183","2","183","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H27 Ir N2 O5 -","- C20 H27 Ir N2 O5 -","- C80 H108 Ir4 N8 O20 -","4","0.5","","Suna, Yuki; Ertem, Mehmed Z.; Wang, Wan-Hui; Kambayashi, Hide; Manaka, Yuichi; Muckerman, James T.; Fujita, Etsuko; Himeda, Yuichiro","Positional Effects of Hydroxy Groups on Catalytic Activity of Proton-Responsive Half-Sandwich Cp*Iridium(III) Complexes","Organometallics","2014","33","22","6519","","10.1021/om500832d","","","0.71073","MoKα","","0.04","0.0389","","","0.0983","0.0998","","","","","","0.704","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4084789","12.149","0.003","14.34","0.003","16.039","0.004","90","","98.094","0.004","90","","2766.4","1.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Sad229","","","- C25 H36 B Cl Li N5 O2 -","- C25 H36 B Cl Li N5 O2 -","- C100 H144 B4 Cl4 Li4 N20 O8 -","4","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.0802","0.0475","","","0.097","0.1112","","","","","","1","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084790","12.605","0.002","14.05","0.003","18.936","0.004","90","","90","","90","","3353.6","1.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 B K N4 O2 -","- C34 H40 B K N4 O2 -","- C136 H160 B4 K4 N16 O8 -","4","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.0725","0.0449","","","0.0874","0.0986","","","","","","1.015","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084791","19.544","0.009","14.553","0.007","11.657","0.006","90","","90","","90","","3316","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H48 B N4 O2 Rh -","- C31 H44 B N4 O2 Rh -","- C124 H176 B4 N16 O8 Rh4 -","4","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.0798","0.0514","","","0.1143","0.1246","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084792","13.634","0.005","12.491","0.005","20.309","0.007","90","","103.771","0.006","90","","3359","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Sad348","","","- C36 H46 B N4 O2 Rh -","- C36 H46 B N4 O2 Rh -","- C144 H184 B4 N16 O8 Rh4 -","4","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.1111","0.0621","","","0.1303","0.1545","","","","","","1.004","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084793","10.336","0.002","12.366","0.003","14.806","0.003","103.921","0.003","103.187","0.003","97.601","0.003","1753","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H43 B N4 O5 Rh -","- C34 H42 B N4 O5 Rh -","- C68 H84 B2 N8 O10 Rh2 -","2","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.0642","0.05","","","0.1266","0.1369","","","","","","1.054","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084794","14.0529","0.0007","15.5386","0.0008","19.1942","0.0012","90","","111.269","0.001","90","","3905.8","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H54 B Ir N4 O2 -","- C41 H54 B Ir N4 O2 -","- C164 H216 B4 Ir4 N16 O8 -","4","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.0484","0.0324","","","0.0746","0.0808","","","","","","1.033","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084795","10.3203","0.0008","12.3706","0.001","14.7391","0.0012","104.258","0.001","102.949","0.001","97.441","0.001","1743.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 B Ir N4 O4 -","- C36 H40 B Ir N4 O4 -","- C72 H80 B2 Ir2 N8 O8 -","2","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","","","0.0305","0.0261","","","0.0631","0.065","","","","","","1.036","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084796","29.675","0.019","9.355","0.006","11.583","0.007","90","","90","","90","","3216","4","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","Sad317","","","- C31.5 H47 B N3 O3 Rh -","- C29 H41 B N3 O3 Rh -","- C116 H164 B4 N12 O12 Rh4 -","4","0.5","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.1009","0.0855","","","0.2007","0.2128","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084797","13.108","0.002","13.263","0.002","14.525","0.002","99.29","0.003","105.191","0.003","97.735","0.003","2363.1","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H73 B Cl N4 O2 Rh2 -","- C49 H73 B Cl N4 O2 Rh2 -","- C98 H146 B2 Cl2 N8 O4 Rh4 -","2","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.0877","0.0491","","","0.0934","0.1101","","","","","","1.001","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084799","10.3234","0.0005","11.3225","0.0006","11.9763","0.0006","98.2","0.001","90.897","0.001","90.844","0.001","1385.18","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 B N4 O3 Rh -","- C29 H34 B N4 O3 Rh -","- C58 H68 B2 N8 O6 Rh2 -","2","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.0362","0.0326","","","0.0949","0.0983","","","","","","1.059","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084800","16.9056","0.0019","11.9713","0.0014","32.292","0.004","90","","90","","90","","6535.3","1.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H40 B Ir N4 O3 -","- C35 H40 B Ir N4 O3 -","- C280 H320 B8 Ir8 N32 O24 -","8","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.0486","0.0347","","","0.0779","0.083","","","","","","1.077","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084801","11.795","0.003","24.438","0.006","27.574","0.007","90","","90","","90","","7948","3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H50 B N4 O3 Rh Si -","- C42 H50 B N4 O3 Rh Si -","- C336 H400 B8 N32 O24 Rh8 Si8 -","8","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.1222","0.0575","","","0.1066","0.1282","","","","","","1.01","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084802","9.9236","0.0007","12.0115","0.0008","18.2007","0.0013","102.554","0.001","105.587","0.001","92.556","0.001","2027.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H49 B Ir N5 O3 -","- C40 H49 B Ir N5 O3 -","- C80 H98 B2 Ir2 N10 O6 -","2","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.0217","0.0194","","","0.0481","0.0497","","","","","","1.048","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084803","9.684","0.002","16.776","0.004","23.982","0.005","90","","99.254","0.003","90","","3845.4","1.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H51 B Ir N5 O2 Si -","- C39 H50 B Ir N5 O2 Si -","- C156 H200 B4 Ir4 N20 O8 Si4 -","4","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.0757","0.0452","","","0.096","0.1114","","","","","","1.061","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084804","14.2635","0.0012","14.879","0.0012","16.2613","0.0013","90","","101.753","0.002","90","","3378.7","0.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","1b in manuscript","","","- C33 H47 Cl2 N4 O P Ru -","- C33 H47 Cl2 N4 O P Ru -","- C132 H188 Cl8 N16 O4 P4 Ru4 -","4","1","","Brown, Christopher C.; Plessow, Philipp N.; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Unexpected Reactivity Patterns of Ruthenium Alkylidenes with N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands (NHCPs)","Organometallics","2014","33","23","6754","","10.1021/om5005429","","","0.71073","MoKα","","0.0452","0.0321","","","0.0612","0.0659","","","","","","1.05","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084805","19.07","0.003","12.8411","0.0017","15.932","0.002","90","","109.153","0.003","90","","3685.5","0.9","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1a in manuscript","","","- C29 H39 Cl2 N4 P Ru -","- C29 H39 Cl2 N4 P Ru -","- C116 H156 Cl8 N16 P4 Ru4 -","4","1","","Brown, Christopher C.; Plessow, Philipp N.; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Unexpected Reactivity Patterns of Ruthenium Alkylidenes with N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands (NHCPs)","Organometallics","2014","33","23","6754","","10.1021/om5005429","","","0.71073","MoKα","","0.1015","0.0694","","","0.1544","0.1654","","","","","","1.085","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084806","8.9978","0.0006","14.2563","0.001","14.5573","0.0011","105.448","0.001","93.863","0.001","100.488","0.001","1756.5","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","2b in manuscript","","","- C37 H47 Cl2 N4 P Ru -","- C37 H47 Cl2 N4 P Ru -","- C74 H94 Cl4 N8 P2 Ru2 -","2","1","","Brown, Christopher C.; Plessow, Philipp N.; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Unexpected Reactivity Patterns of Ruthenium Alkylidenes with N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands (NHCPs)","Organometallics","2014","33","23","6754","","10.1021/om5005429","","","0.71073","MoKα","","0.0469","0.0383","","","0.082","0.0875","","","","","","1.088","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084807","12.0722","0.0002","25.163","0.0003","21.9773","0.0003","90","","103.968","0.001","90","","6478.7","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H16 B2 F30 N6 Os -","- C58 H16 B2 F30 N6 Os -","- C232 H64 B8 F120 N24 Os4 -","4","1","","Chu, Wing-Kin; Yiu, Shek-Man; Ko, Chi-Chiu","Neutral Luminescent Bis(bipyridyl) Osmium(II) Complexes with Improved Phosphorescent Properties","Organometallics","2014","33","23","6771","","10.1021/om500630c","","","1.54184","CUKα","","0.027","0.0239","","","0.062","0.0636","","","","","","1.081","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084808","36.8163","0.0016","15.2284","0.0005","16.079","0.0006","90","","112.052","0.005","90","","8355.3","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H61 Cu N2 O Si -","- C43.5 H61 Cu N2 O Si -","- C348 H488 Cu8 N16 O8 Si8 -","8","1","","Plotzitzka, Jacqueline; Kleeberg, Christian","CuI-Catalyzed Conjugate Addition of Silyl Boronic Esters: Retracing Catalytic Cycles Using Isolated Copper and Boron Enolate Intermediates","Organometallics","2014","33","23","6915","","10.1021/om500989w","","","1.54184","CuKα","","0.0762","0.0568","","","0.1445","0.1564","","","","","","1.131","","","","has coordinates","287935","2023-12-01","15:08:07",""
"4084809","16.5255","0.0004","15.0543","0.0003","17.0781","0.0005","90","","112.156","0.003","90","","3934.97","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H57 Cu N2 O Si -","- C41 H57 Cu N2 O Si -","- C164 H228 Cu4 N8 O4 Si4 -","4","1","","Plotzitzka, Jacqueline; Kleeberg, Christian","CuI-Catalyzed Conjugate Addition of Silyl Boronic Esters: Retracing Catalytic Cycles Using Isolated Copper and Boron Enolate Intermediates","Organometallics","2014","33","23","6915","","10.1021/om500989w","","","1.54184","CuKα","","0.0542","0.0472","","","0.1369","0.1468","","","","","","1.014","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084810","24.8378","0.0004","15.3606","0.0003","21.3808","0.0004","90","","104.779","0.002","90","","7887.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H57 Cu N2 O Si -","- C41 H57 Cu N2 O Si -","- C328 H456 Cu8 N16 O8 Si8 -","8","1","","Plotzitzka, Jacqueline; Kleeberg, Christian","CuI-Catalyzed Conjugate Addition of Silyl Boronic Esters: Retracing Catalytic Cycles Using Isolated Copper and Boron Enolate Intermediates","Organometallics","2014","33","23","6915","","10.1021/om500989w","","","1.54184","CuKα","","0.0501","0.0415","","","0.1085","0.1145","","","","","","1.127","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084811","6.5985","0.0004","9.667","0.0005","16.074","0.001","90.232","0.004","94.841","0.004","97.806","0.005","1012.07","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H31 B O3 Si -","- C19 H31 B O3 Si -","- C38 H62 B2 O6 Si2 -","2","1","","Plotzitzka, Jacqueline; Kleeberg, Christian","CuI-Catalyzed Conjugate Addition of Silyl Boronic Esters: Retracing Catalytic Cycles Using Isolated Copper and Boron Enolate Intermediates","Organometallics","2014","33","23","6915","","10.1021/om500989w","","","0.71073","MoKα","","0.0717","0.0519","","","0.1129","0.122","","","","","","1.046","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084812","12.7068","0.0006","16.1349","0.0008","19.5473","0.0009","84.258","0.004","74.488","0.004","85.516","0.004","3836.8","0.3","101","3","101","3","","","","","","","","7","P -1","-P 1","2","","","","- C79 H109 B Cu2 N4 O4 Si -","- C79 H109 B Cu2 N4 O4 Si -","- C158 H218 B2 Cu4 N8 O8 Si2 -","2","1","","Plotzitzka, Jacqueline; Kleeberg, Christian","CuI-Catalyzed Conjugate Addition of Silyl Boronic Esters: Retracing Catalytic Cycles Using Isolated Copper and Boron Enolate Intermediates","Organometallics","2014","33","23","6915","","10.1021/om500989w","","","1.54184","CuKα","","0.0631","0.0552","","","0.1404","0.1462","","","","","","1.048","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084813","37.256","0.003","14.965","0.0009","16.367","0.0013","90","","104.354","0.008","90","","8840.3","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H53 Cu N2 O Si -","- C39 H53 Cu N2 O Si -","- C312 H424 Cu8 N16 O8 Si8 -","8","1","","Plotzitzka, Jacqueline; Kleeberg, Christian","CuI-Catalyzed Conjugate Addition of Silyl Boronic Esters: Retracing Catalytic Cycles Using Isolated Copper and Boron Enolate Intermediates","Organometallics","2014","33","23","6915","","10.1021/om500989w","","","1.54184","CuKα","","0.1074","0.0753","","","0.2178","0.2429","","","","","","1.011","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084814","17.2815","0.0008","9.8343","0.0004","18.6058","0.0008","90","","90","","90","","3162.1","0.2","103","2","103","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H56 Al Li N2 Si4 -","- C24 H56 Al Li N2 Si4 -","- C96 H224 Al4 Li4 N8 Si16 -","4","1","","Agou, Tomohiro; Wasano, Tatsuya; Sasamori, Takahiro; Tokitoh, Norihiro","Syntheses and Structures of Stable 1-Aminoalumole Derivatives","Organometallics","2014","33","23","6963","","10.1021/om501055f","","","0.71075","MoKα","","0.0282","0.0273","","","0.0671","0.0679","","","","","","1.09","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084815","10.6677","0.0002","16.6123","0.0003","15.1293","0.0003","90","","99.843","0.0013","90","","2641.67","0.09","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H46 Al N O Si2 -","- C22 H46 Al N O Si2 -","- C88 H184 Al4 N4 O4 Si8 -","4","1","","Agou, Tomohiro; Wasano, Tatsuya; Sasamori, Takahiro; Tokitoh, Norihiro","Syntheses and Structures of Stable 1-Aminoalumole Derivatives","Organometallics","2014","33","23","6963","","10.1021/om501055f","","","0.71075","MoKα","","0.0347","0.0309","","","0.0779","0.0811","","","","","","1.055","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084816","11.523","0.0005","12.438","0.0006","15.5521","0.001","103.225","0.006","105.588","0.004","100.004","0.005","2023.2","0.2","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H57 N2 O4 Sn -","- C45 H57 N2 O4 Sn -","- C90 H114 N4 O8 Sn2 -","2","1","","Novák, Miroslav; Bouška, Marek; Dostál, Libor; Růžička, Aleš; Jambor, Roman","Intramolecularly C,N-Coordinated Homo- and Heteroleptic Organostannylenes","Organometallics","2014","33","23","6778","","10.1021/om500698k","","","0.71073","MoKα","","0.034","0.0267","","","0.0626","0.0693","","","","","","1.108","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084817","14.7352","0.0004","63.653","0.002","8.5369","0.0005","90","","90","","90","","8007.1","0.6","150","1","150","1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C21 H24 Cl N O2 Sn -","- C21 H24 Cl N O2 Sn -","- C336 H384 Cl16 N16 O32 Sn16 -","16","1","","Novák, Miroslav; Bouška, Marek; Dostál, Libor; Růžička, Aleš; Jambor, Roman","Intramolecularly C,N-Coordinated Homo- and Heteroleptic Organostannylenes","Organometallics","2014","33","23","6778","","10.1021/om500698k","","","0.71073","MoKα","","0.0339","0.0305","","","0.0689","0.0707","","","","","","1.058","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084818","11.21","0.0008","11.823","0.0009","26.1971","0.0018","90","","105.038","0.006","90","","3353.2","0.4","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 N2 Sn -","- C38 H44 N2 Sn -","- C152 H176 N8 Sn4 -","4","1","","Novák, Miroslav; Bouška, Marek; Dostál, Libor; Růžička, Aleš; Jambor, Roman","Intramolecularly C,N-Coordinated Homo- and Heteroleptic Organostannylenes","Organometallics","2014","33","23","6778","","10.1021/om500698k","","","0.71073","MoKα","","0.0501","0.0335","","","0.0608","0.0673","","","","","","1.13","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084819","11.0611","0.001","12.026","0.001","26.366","0.0015","90","","105.567","0.007","90","","3378.6","0.5","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 N2 Pb -","- C38 H44 N2 Pb -","- C152 H176 N8 Pb4 -","4","1","","Novák, Miroslav; Bouška, Marek; Dostál, Libor; Růžička, Aleš; Jambor, Roman","Intramolecularly C,N-Coordinated Homo- and Heteroleptic Organostannylenes","Organometallics","2014","33","23","6778","","10.1021/om500698k","","","0.71073","MoKα","","0.041","0.0285","","","0.053","0.0575","","","","","","1.167","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084820","14.293","0.0012","17.7981","0.0013","31.814","0.0014","90","","90","","90","","8093.1","1","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H44 N2 O5 Sn W -","- C43 H44 N2 O5 Sn W -","- C344 H352 N16 O40 Sn8 W8 -","8","1","","Novák, Miroslav; Bouška, Marek; Dostál, Libor; Růžička, Aleš; Jambor, Roman","Intramolecularly C,N-Coordinated Homo- and Heteroleptic Organostannylenes","Organometallics","2014","33","23","6778","","10.1021/om500698k","","","0.71073","MoKα","","0.0626","0.0358","","","0.0643","0.0739","","","","","","1.181","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084821","17.3322","0.0012","10.9026","0.0008","17.538","0.0012","90","","93.0376","0.0008","90","","3309.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 Cl2 N3 P Ru -","- C34 H50 Cl2 N3 P Ru -","- C136 H200 Cl8 N12 P4 Ru4 -","4","1","","Lummiss, Justin A. M.; McClennan, William L.; McDonald, Robert; Fogg, Deryn E.","Donor-Induced Decomposition of the Grubbs Catalysts: An Intercepted Intermediate","Organometallics","2014","33","23","6738","","10.1021/om501011y","","","0.71073","MoKα","","0.0249","0.0231","","","0.0626","0.0636","","","","","","1.064","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084822","14.817","0.002","15.856","0.002","17.075","0.003","90","","115.142","0.0018","90","","3631.5","0.9","93","2","93","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C33 H60 B Cl N2 O3 P2 Ru -","- C33 H60 B Cl N2 O3 P2 Ru -","- C132 H240 B4 Cl4 N8 O12 P8 Ru4 -","4","1","","Miyada, Takuma; Huang Kwan, Enrique; Yamashita, Makoto","Synthesis, Structure, and Bonding Properties of Ruthenium Complexes Possessing a Boron-Based PBP Pincer Ligand and Their Application for Catalytic Hydrogenation","Organometallics","2014","33","23","6760","","10.1021/om500585j","","","0.71075","MoKα","","0.0329","0.029","","","0.0618","0.0634","","","","","","1.019","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084823","19.318","0.004","16.123","0.003","11.44","0.003","90","","109.855","0.002","90","","3351.3","1.3","113","2","113","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C29 H56 B2 N2 O2 P2 Ru -","- C29 H56 B2 N2 O2 P2 Ru -","- C116 H224 B8 N8 O8 P8 Ru4 -","4","1","","Miyada, Takuma; Huang Kwan, Enrique; Yamashita, Makoto","Synthesis, Structure, and Bonding Properties of Ruthenium Complexes Possessing a Boron-Based PBP Pincer Ligand and Their Application for Catalytic Hydrogenation","Organometallics","2014","33","23","6760","","10.1021/om500585j","","","0.71075","MoKα","","0.0385","0.0356","","","0.0791","0.0827","","","","","","1.098","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084824","11.396","0.002","15.906","0.003","17.642","0.003","75.798","0.005","71.795","0.006","89.332","0.007","2937.6","0.9","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H49 B N2 O2 P2 Ru -","- C26 H49 B N2 O2 P2 Ru -","- C104 H196 B4 N8 O8 P8 Ru4 -","4","2","","Miyada, Takuma; Huang Kwan, Enrique; Yamashita, Makoto","Synthesis, Structure, and Bonding Properties of Ruthenium Complexes Possessing a Boron-Based PBP Pincer Ligand and Their Application for Catalytic Hydrogenation","Organometallics","2014","33","23","6760","","10.1021/om500585j","","","0.71075","MoKα","","0.0974","0.0638","","","0.1399","0.1759","","","","","","1.051","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084825","12.29","0.002","34.719","0.006","15.244","0.003","90","","90","","90","","6505","2","93","2","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H51 B2 Cl3 N2 P2 Ru -","- C25 H51 B2 Cl3 N2 P2 Ru -","- C200 H408 B16 Cl24 N16 P16 Ru8 -","8","1","","Miyada, Takuma; Huang Kwan, Enrique; Yamashita, Makoto","Synthesis, Structure, and Bonding Properties of Ruthenium Complexes Possessing a Boron-Based PBP Pincer Ligand and Their Application for Catalytic Hydrogenation","Organometallics","2014","33","23","6760","","10.1021/om500585j","","","0.71075","MoKα","","0.1079","0.0919","","","0.1978","0.2076","","","","","","1.189","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084826","39.4343","0.0015","10.9607","0.0004","30.1541","0.0016","90","","112.385","0.004","90","","12051.3","1","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C110 H196 N10 O5 Si4 Y2 -","- C110 H188 N10 O5 Si4 Y2 -","- C440 H752 N40 O20 Si16 Y8 -","4","0.5","","Zeng, Tinghua; Wang, Yaorong; Shen, Qi; Yao, Yingming; Luo, Yunjie; Cui, Dongmei","Synthesis and Characterization of Amine-Bridged Bis(phenolate) Yttrium Guanidinates and Their Application in the Ring-Opening Polymerization of 1,4-Dioxan-2-one","Organometallics","2014","33","23","6803","","10.1021/om5008242","","","0.71075","MoKα","","0.1335","0.1114","","","0.2284","0.2394","","","","","","1.208","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084827","12.0354","0.0004","12.2623","0.0007","22.059","0.002","87.832","0.01","79.535","0.008","62.203","0.006","2827.8","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H97 N5 O2 Y -","- C56 H90 N5 O2 Y -","- C112 H180 N10 O4 Y2 -","2","1","","Zeng, Tinghua; Wang, Yaorong; Shen, Qi; Yao, Yingming; Luo, Yunjie; Cui, Dongmei","Synthesis and Characterization of Amine-Bridged Bis(phenolate) Yttrium Guanidinates and Their Application in the Ring-Opening Polymerization of 1,4-Dioxan-2-one","Organometallics","2014","33","23","6803","","10.1021/om5008242","","","0.71075","MoKα","","0.1543","0.1089","","","0.2491","0.2843","","","","","","1.077","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084828","11.4804","0.0012","12.3033","0.0012","19.062","0.002","87.728","0.006","89.252","0.006","82.831","0.005","2669.2","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H86 N5 O2 Y -","- C52 H86 N5 O2 Y -","- C104 H172 N10 O4 Y2 -","2","1","","Zeng, Tinghua; Wang, Yaorong; Shen, Qi; Yao, Yingming; Luo, Yunjie; Cui, Dongmei","Synthesis and Characterization of Amine-Bridged Bis(phenolate) Yttrium Guanidinates and Their Application in the Ring-Opening Polymerization of 1,4-Dioxan-2-one","Organometallics","2014","33","23","6803","","10.1021/om5008242","","","0.71075","MoKα","","0.1195","0.0815","","","0.183","0.204","","","","","","1.082","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084829","11.063","0.0006","27.6063","0.0016","17.3168","0.0011","90","","99.283","0.002","90","","5219.4","0.5","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H78 N5 O2 Y -","- C53 H78 N5 O2 Y -","- C212 H312 N20 O8 Y4 -","4","1","","Zeng, Tinghua; Wang, Yaorong; Shen, Qi; Yao, Yingming; Luo, Yunjie; Cui, Dongmei","Synthesis and Characterization of Amine-Bridged Bis(phenolate) Yttrium Guanidinates and Their Application in the Ring-Opening Polymerization of 1,4-Dioxan-2-one","Organometallics","2014","33","23","6803","","10.1021/om5008242","","","0.71075","MoKα","","0.1417","0.1001","","","0.226","0.2542","","","","","","1.09","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084830","15.3215","0.0005","13.8122","0.0004","27.4488","0.0008","90","","103.025","0.002","90","","5659.4","0.3","110.15","","110.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H49 Cl12 N6 O9 P Ru -","- C48 H49 Cl12 N6 O9 P Ru -","- C192 H196 Cl48 N24 O36 P4 Ru4 -","4","2","","Mukherjee, Tathagata; Ganzmann, Carola; Bhuvanesh, Nattamai; Gladysz, John A.","Syntheses of Enantiopure Bifunctional 2-Guanidinobenzimidazole Cyclopentadienyl Ruthenium Complexes: Highly Enantioselective Organometallic Hydrogen Bond Donor Catalysts for Carbon‒Carbon Bond Forming Reactions","Organometallics","2014","33","23","6723","","10.1021/om500705s","","","1.54178","CuKα","","0.0361","0.0302","","","0.0697","0.072","","","","","","1.056","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084831","10.286","0.002","20.552","0.004","13.183","0.004","90","","111.967","0.002","90","","2584.5","1.1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H30 Cl15 N6 O7 P Ru -","- C41 H30 Cl15 N6 O7 P Ru -","- C82 H60 Cl30 N12 O14 P2 Ru2 -","2","1","","Mukherjee, Tathagata; Ganzmann, Carola; Bhuvanesh, Nattamai; Gladysz, John A.","Syntheses of Enantiopure Bifunctional 2-Guanidinobenzimidazole Cyclopentadienyl Ruthenium Complexes: Highly Enantioselective Organometallic Hydrogen Bond Donor Catalysts for Carbon‒Carbon Bond Forming Reactions","Organometallics","2014","33","23","6723","","10.1021/om500705s","","","0.7749","synchrotron","","0.038","0.0367","","","0.0847","0.0854","","","","","","1.014","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084832","9.4989","0.0003","9.8968","0.0003","18.207","0.0006","81.189","0.002","80.586","0.002","80.164","0.002","1649.88","0.09","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H31 Cl2 F6 N5 P2 Ru -","- C32 H31 Cl2 F6 N5 P2 Ru -","- C64 H62 Cl4 F12 N10 P4 Ru2 -","2","1","","Scherer, Alexander; Mukherjee, Tathagata; Hampel, Frank; Gladysz, John A.","Metal-Templated Hydrogen Bond Donors as “Organocatalysts” for Carbon‒Carbon Bond Forming Reactions: Syntheses, Structures, and Reactivities of 2-Guanidinobenzimidazole Cyclopentadienyl Ruthenium Complexes","Organometallics","2014","33","23","6709","","10.1021/om500704u","","","0.71073","MoKα","","0.0587","0.0387","","","0.084","0.0918","","","","","","1.001","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084833","12.7544","0.0003","13.9582","0.0003","19.9118","0.0005","108.991","0.001","100.507","0.001","95.258","0.001","3251.97","0.13","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H43 B Cl2 F24 N5 P Ru -","- C64 H43 B Cl2 F24 N5 P Ru -","- C128 H86 B2 Cl4 F48 N10 P2 Ru2 -","2","1","","Scherer, Alexander; Mukherjee, Tathagata; Hampel, Frank; Gladysz, John A.","Metal-Templated Hydrogen Bond Donors as “Organocatalysts” for Carbon‒Carbon Bond Forming Reactions: Syntheses, Structures, and Reactivities of 2-Guanidinobenzimidazole Cyclopentadienyl Ruthenium Complexes","Organometallics","2014","33","23","6709","","10.1021/om500704u","","","0.71073","MoKα","","0.0943","0.068","","","0.1832","0.2044","","","","","","1.025","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084834","12.601","0.003","20.408","0.004","26.978","0.005","92.508","0.003","96.172","0.003","107.174","0.003","6569","2","100.15","","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C150.5 H126.5 Cl1.5 F10 N2 O4 P4 Pt2 -","- C150.5 H126.5 Cl1.5 F10 N2 O4 P4 Pt2 -","- C301 H253 Cl3 F20 N4 O8 P8 Pt4 -","2","1","","Baranová, Zuzana; Amini, Hashem; Bhuvanesh, Nattamai; Gladysz, John A.","Rotaxanes Derived from Dimetallic Polyynediyl Complexes: Extended Axles and Expanded Macrocycles","Organometallics","2014","33","23","6746","","10.1021/om501026u","","","0.6889","synchrotron","","0.0337","0.0275","","","0.0595","0.0617","","","","","","1.093","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084835","13.214","0.009","21.955","0.016","24.747","0.018","99.477","0.007","104.268","0.007","90.432","0.007","6854","8","110","2","110.15","","","","","","","","","7","P -1","-P 1","2","","","","- C166 H140 F10 N2 O4 P4 Pt2 -","- C166 H140 F10 N2 O4 P4 Pt2 -","- C332 H280 F20 N4 O8 P8 Pt4 -","2","1","","Baranová, Zuzana; Amini, Hashem; Bhuvanesh, Nattamai; Gladysz, John A.","Rotaxanes Derived from Dimetallic Polyynediyl Complexes: Extended Axles and Expanded Macrocycles","Organometallics","2014","33","23","6746","","10.1021/om501026u","","","0.71073","MoKα","","0.0908","0.0476","","","0.1018","0.1242","","","","","","1.022","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084836","10.021","0.003","20.372","0.005","15.64","0.004","90","","96.033","0.003","90","","3175.2","1.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C75 H92 N4 Yb2 -","- C75 H92 N4 Yb2 -","- C150 H184 N8 Yb4 -","2","0.5","","Nocton, Grégory; Booth, Corwin H.; Maron, Laurent; Ricard, Louis; Andersen, Richard A.","Carbon‒Hydrogen Bond Breaking and Making in the Open-Shell Singlet Molecule Cp*2Yb(4,7-Me2phen)","Organometallics","2014","33","23","6819","","10.1021/om500843z","","","0.71073","MoKα","","0.0218","0.0189","","","0.0434","0.0458","","","","","","1.083","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084837","12.478","0.005","12.704","0.005","14.038","0.005","86.974","0.004","87.632","0.004","66.846","0.004","2042.7","1.4","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H108 N4 Yb2 -","- C99 H108 N4 Yb2 -","- C99 H108 N4 Yb2 -","1","0.5","","Nocton, Grégory; Booth, Corwin H.; Maron, Laurent; Ricard, Louis; Andersen, Richard A.","Carbon‒Hydrogen Bond Breaking and Making in the Open-Shell Singlet Molecule Cp*2Yb(4,7-Me2phen)","Organometallics","2014","33","23","6819","","10.1021/om500843z","","","0.71073","MoKα","","0.0569","0.0465","","","0.1242","0.1303","","","","","","1.08","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084838","10.682","0.002","16.132","0.003","20.46","0.004","90","","95.181","0.003","90","","3511.3","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H41.56 N2 Yb -","- C34 H41.558 N2 Yb -","- C136 H166.232 N8 Yb4 -","4","1","","Nocton, Grégory; Booth, Corwin H.; Maron, Laurent; Ricard, Louis; Andersen, Richard A.","Carbon‒Hydrogen Bond Breaking and Making in the Open-Shell Singlet Molecule Cp*2Yb(4,7-Me2phen)","Organometallics","2014","33","23","6819","","10.1021/om500843z","","","0.71073","MoKα","","0.0392","0.0308","","","0.064","0.0669","","","","","","1.062","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084843","10.2729","0.0005","16.6169","0.0008","25.1147","0.0012","90","","99.749","0.005","90","","4225.3","0.4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 Cl2 F6 N O3 P Ru Sb -","- C39 H45 Cl2 F6 N O3 P Ru Sb -","- C156 H180 Cl8 F24 N4 O12 P4 Ru4 Sb4 -","4","1","","Pardo, Pilar; Carmona, Daniel; Lamata, Pilar; Rodr\?íguez, Ricardo; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Reactivity of the Chiral Metallic Brønsted Acid [(η6-p-MeC6H4iPr)Ru(κ3P,O,O′-POH)][SbF6]2(POH= (SC1,RC2)-Ph2PC(Ph)HC(OH)HCH2OMe) toward Aldimines","Organometallics","2014","33","23","6927","","10.1021/om501018r","","","0.71073","MoKα","","0.0445","0.0417","","","0.1012","0.1033","","","","","","1.036","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084844","29.518","0.003","10.8722","0.0011","12.9904","0.0014","90","","94.993","0.002","90","","4153.1","0.7","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C38 H44 F12 N O2 P Ru Sb2 -","- C38 H44 F12 N O2 P Ru Sb2 -","- C152 H176 F48 N4 O8 P4 Ru4 Sb8 -","4","1","","Pardo, Pilar; Carmona, Daniel; Lamata, Pilar; Rodr\?íguez, Ricardo; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Reactivity of the Chiral Metallic Brønsted Acid [(η6-p-MeC6H4iPr)Ru(κ3P,O,O′-POH)][SbF6]2(POH= (SC1,RC2)-Ph2PC(Ph)HC(OH)HCH2OMe) toward Aldimines","Organometallics","2014","33","23","6927","","10.1021/om501018r","","","0.71073","MoKα","","0.0803","0.0556","","","0.1046","0.114","","","","","","1.034","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084845","16.083","0.003","19.993","0.003","31.806","0.005","90","","90","","90","","10227","3","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H37 Br Fe N4 O P2 -","- C20 H37 Br Fe N4 O P2 -","- C320 H592 Br16 Fe16 N64 O16 P32 -","16","2","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Efficient Hydrogenation of Ketones and Aldehydes Catalyzed by Well-Defined Iron(II) PNP Pincer Complexes: Evidence for an Insertion Mechanism","Organometallics","2014","33","23","6905","","10.1021/om5009814","","x-ray","0.71073","MoKα","","0.0575","0.0393","","","0.0496","0.0505","","","","3.11","3.11","2.77","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4084846","18.885","0.003","13.024","0.002","10.5229","0.0019","90","","90","","90","","2588.2","0.7","100","","100","","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C19 H34 Br Cl2 D2 Fe N3 O P2 -","- C19 H34 Br Cl2 D2 Fe N3 O P2 -","- C76 H136 Br4 Cl8 D8 Fe4 N12 O4 P8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Efficient Hydrogenation of Ketones and Aldehydes Catalyzed by Well-Defined Iron(II) PNP Pincer Complexes: Evidence for an Insertion Mechanism","Organometallics","2014","33","23","6905","","10.1021/om5009814","","x-ray","0.71073","MoKα","","0.0298","0.0264","","","0.0323","0.0326","","","","1.82","1.82","1.77","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084847","11.641","0.003","15.517","0.003","26.757","0.006","90","","90","","90","","4833.2","1.9","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H34 Fe N4 O P2 S -","- C19 H34 Fe N4 O P2 S -","- C152 H272 Fe8 N32 O8 P16 S8 -","8","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Efficient Hydrogenation of Ketones and Aldehydes Catalyzed by Well-Defined Iron(II) PNP Pincer Complexes: Evidence for an Insertion Mechanism","Organometallics","2014","33","23","6905","","10.1021/om5009814","","x-ray","0.71073","MoKα","","0.0316","0.0231","","","0.0324","0.0331","","","","2.12","2.12","1.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084848","14.2","0.0004","11.2801","0.0006","17.5587","0.0007","90","","90","","90","","2812.5","0.2","100","","100","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C23 H39 B F4 Fe N4 O P2 -","- C23 H39 B F4 Fe N4 O P2 -","- C92 H156 B4 F16 Fe4 N16 O4 P8 -","4","0.5","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Efficient Hydrogenation of Ketones and Aldehydes Catalyzed by Well-Defined Iron(II) PNP Pincer Complexes: Evidence for an Insertion Mechanism","Organometallics","2014","33","23","6905","","10.1021/om5009814","","x-ray","0.71073","MoKα","","0.0339","0.0266","","","0.0367","0.0374","","","","2.3","2.3","2.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084849","8.5095","0.0002","20.2457","0.0005","17.1097","0.0005","90","","97.9075","0.0014","90","","2919.64","0.13","185","","185","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H43 B F4 Fe N3 O P3 -","- C21 H43 B F4 Fe N3 O P3 -","- C84 H172 B4 F16 Fe4 N12 O4 P12 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Efficient Hydrogenation of Ketones and Aldehydes Catalyzed by Well-Defined Iron(II) PNP Pincer Complexes: Evidence for an Insertion Mechanism","Organometallics","2014","33","23","6905","","10.1021/om5009814","","x-ray","0.71073","MoKα","","0.0441","0.0348","","","0.048","0.0491","","","","2.09","2.09","1.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084850","11.5662","0.001","13.0257","0.0012","15.2625","0.0014","90","","90.122","0.003","90","","2299.4","0.4","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H38 B Fe N3 O P2 -","- C18 H38 B Fe N3 O P2 -","- C72 H152 B4 Fe4 N12 O4 P8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Efficient Hydrogenation of Ketones and Aldehydes Catalyzed by Well-Defined Iron(II) PNP Pincer Complexes: Evidence for an Insertion Mechanism","Organometallics","2014","33","23","6905","","10.1021/om5009814","","x-ray","0.71073","MoKα","","0.0884","0.0495","","","0.0493","0.0512","","","","2.58","2.58","2.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084851","10.502","0.002","19.637","0.004","14.591","0.003","90","","92.89","0.03","90","","3005.2","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 N2 O2 Pd -","- C34 H44 N2 O2 Pd -","- C136 H176 N8 O8 Pd4 -","4","1","","Dang, Liang; Song, Haibin; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior ofo-Aryloxide-Substituted NHC-Ligated σ, π-Cycloalkenyl Palladium Complexes","Organometallics","2014","33","23","6812","","10.1021/om500839w","","","0.71073","MoKα","","0.0468","0.0352","","","0.082","0.086","","","","","","1.033","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084852","9.953","0.002","10.337","0.002","18.16","0.004","97.91","0.03","91.96","0.03","93.28","0.03","1845.9","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H52 Cl2 N2 O2 Pd -","- C39 H52 Cl2 N2 O2 Pd -","- C78 H104 Cl4 N4 O4 Pd2 -","2","1","","Dang, Liang; Song, Haibin; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior ofo-Aryloxide-Substituted NHC-Ligated σ, π-Cycloalkenyl Palladium Complexes","Organometallics","2014","33","23","6812","","10.1021/om500839w","","","0.71073","MoKα","","0.0522","0.0473","","","0.11","0.1133","","","","","","1.046","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084853","7.363","0.0012","13.877","0.0019","26.725","0.003","90","","97.354","0.012","90","","2708.2","0.7","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 N2 O2 Pd -","- C30 H42 N2 O2 Pd -","- C120 H168 N8 O8 Pd4 -","4","1","","Dang, Liang; Song, Haibin; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior ofo-Aryloxide-Substituted NHC-Ligated σ, π-Cycloalkenyl Palladium Complexes","Organometallics","2014","33","23","6812","","10.1021/om500839w","","","0.71075","MoKα","","0.0338","0.0282","","","0.0702","0.0723","","","","","","1.063","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084854","7.745","0.004","14.191","0.008","14.617","0.009","107.101","0.001","100.507","0.008","99.836","0.004","1466.1","1.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 N2 O3 Pd -","- C32 H48 N2 O3 Pd -","- C64 H96 N4 O6 Pd2 -","2","1","","Dang, Liang; Song, Haibin; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior ofo-Aryloxide-Substituted NHC-Ligated σ, π-Cycloalkenyl Palladium Complexes","Organometallics","2014","33","23","6812","","10.1021/om500839w","","","0.71075","MoKα","","0.0355","0.0285","","","0.0683","0.0696","","","","","","1.003","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084855","8.71445","0.00014","11.7851","0.0002","17.6537","0.0003","101.741","0.0016","102.169","0.0014","101.985","0.0016","1674.7","0.05","199","3","199","3","","","","","","","","6","P -1","-P 1","2","","","","- C33 H47 F6 Ir N3 P -","- C33 H47 F6 Ir N3 P -","- C66 H94 F12 Ir2 N6 P2 -","2","1","","Sabater, Sara; Baya, Miguel; Mata, Jose A.","Highly Active Cp*Ir Catalyst at Low Temperatures Bearing an N-Heterocyclic Carbene Ligand and a Chelated Primary Benzylamine in Transfer Hydrogenation","Organometallics","2014","33","23","6830","","10.1021/om500888d","","","0.7107","MoKα","","0.0376","0.0332","","","0.0849","0.0885","","","","","","1.086","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084856","11.9558","0.0003","15.5372","0.0003","18.1992","0.0005","90","","90","","90","","3380.68","0.14","200","0.1","200","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Cl2 F6 Ir N3 P -","- C28 H37 Cl2 F6 Ir N3 P -","- C112 H148 Cl8 F24 Ir4 N12 P4 -","4","1","","Sabater, Sara; Baya, Miguel; Mata, Jose A.","Highly Active Cp*Ir Catalyst at Low Temperatures Bearing an N-Heterocyclic Carbene Ligand and a Chelated Primary Benzylamine in Transfer Hydrogenation","Organometallics","2014","33","23","6830","","10.1021/om500888d","","","0.7107","MoKα","","0.0555","0.0421","","","0.1074","0.117","","","","","","1.056","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084857","11.2778","0.0002","9.17011","0.00016","16.388","0.0003","90","","91.3639","0.0016","90","","1694.34","0.05","200","0.14","200","0.14","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H47 F6 Ir N3 P -","- C33 H47 F6 Ir N3 P -","- C66 H94 F12 Ir2 N6 P2 -","2","1","","Sabater, Sara; Baya, Miguel; Mata, Jose A.","Highly Active Cp*Ir Catalyst at Low Temperatures Bearing an N-Heterocyclic Carbene Ligand and a Chelated Primary Benzylamine in Transfer Hydrogenation","Organometallics","2014","33","23","6830","","10.1021/om500888d","","","0.7107","MoKα","","0.0246","0.0195","","","0.0354","0.0376","","","","","","1.042","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084858","23.4531","0.0004","17.1826","0.0004","22.3726","0.0004","90","","110.774","0.001","90","","8429.7","0.3","223","2","223","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H36 B Cl F4 N2 P2 Pt -","- C43 H36 B Cl F4 N2 P2 Pt -","- C344 H288 B8 Cl8 F32 N16 P16 Pt8 -","8","1","","Das, Rajorshi; Hepp, Alexander; Daniliuc, Constantin G.; Hahn, F. Ekkehardt","Synthesis of Complexes with Protic NH,NH-NHC Ligands via Oxidative Addition of 2-Halogenoazoles to Zero-Valent Transition Metals","Organometallics","2014","33","23","6975","","10.1021/om501120u","","","0.71073","MoKα","","0.0374","0.0312","","","0.0828","0.087","","","","","","1.058","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084859","19.5161","0.0003","11.8711","0.0001","18.6273","0.0002","90","","102.31","0.001","90","","4216.31","0.09","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 B Br Cl2 F4 N2 P2 Pd -","- C44 H38 B Br Cl2 F4 N2 P2 Pd -","- C176 H152 B4 Br4 Cl8 F16 N8 P8 Pd4 -","4","1","","Das, Rajorshi; Hepp, Alexander; Daniliuc, Constantin G.; Hahn, F. Ekkehardt","Synthesis of Complexes with Protic NH,NH-NHC Ligands via Oxidative Addition of 2-Halogenoazoles to Zero-Valent Transition Metals","Organometallics","2014","33","23","6975","","10.1021/om501120u","","","0.71073","MoKα","","0.0607","0.0446","","","0.0873","0.0953","","","","","","1.069","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084860","19.5219","0.0002","11.8326","0.0001","18.6785","0.0002","90","","102.512","0.001","90","","4212.17","0.07","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 B Br Cl2 F4 N2 P2 Pt -","- C44 H38 B Br Cl2 F4 N2 P2 Pt -","- C176 H152 B4 Br4 Cl8 F16 N8 P8 Pt4 -","4","1","","Das, Rajorshi; Hepp, Alexander; Daniliuc, Constantin G.; Hahn, F. Ekkehardt","Synthesis of Complexes with Protic NH,NH-NHC Ligands via Oxidative Addition of 2-Halogenoazoles to Zero-Valent Transition Metals","Organometallics","2014","33","23","6975","","10.1021/om501120u","","","0.71073","MoKα","","0.0378","0.0323","","","0.0794","0.0836","","","","","","1.062","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084861","19.6215","0.0003","11.8527","0.0001","18.7279","0.0003","90","","101.455","0.001","90","","4268.75","0.1","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 B Cl2 F4 I N2 P2 Pd -","- C44 H38 B Cl2 F4 I N2 P2 Pd -","- C176 H152 B4 Cl8 F16 I4 N8 P8 Pd4 -","4","1","","Das, Rajorshi; Hepp, Alexander; Daniliuc, Constantin G.; Hahn, F. Ekkehardt","Synthesis of Complexes with Protic NH,NH-NHC Ligands via Oxidative Addition of 2-Halogenoazoles to Zero-Valent Transition Metals","Organometallics","2014","33","23","6975","","10.1021/om501120u","","","0.71073","MoKα","","0.0556","0.0474","","","0.1073","0.1145","","","","","","1.089","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084862","18.8451","0.0003","14.963","0.0002","16.4293","0.0003","90","","90","","90","","4632.72","0.13","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C46 H42 B Cl2 F4 I N2 P2 Pd -","- C46 H42 B Cl2 F4 I N2 P2 Pd -","- C184 H168 B4 Cl8 F16 I4 N8 P8 Pd4 -","4","0.5","","Das, Rajorshi; Hepp, Alexander; Daniliuc, Constantin G.; Hahn, F. Ekkehardt","Synthesis of Complexes with Protic NH,NH-NHC Ligands via Oxidative Addition of 2-Halogenoazoles to Zero-Valent Transition Metals","Organometallics","2014","33","23","6975","","10.1021/om501120u","","","0.71073","MoKα","","0.0415","0.0361","","","0.094","0.0992","","","","","","1.061","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084863","18.793","0.0002","14.9433","0.0002","16.3633","0.0002","90","","90","","90","","4595.3","0.1","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C46 H42 B Cl2 F4 I N2 P2 Pt -","- C46 H42 B Cl2 F4 I N2 P2 Pt -","- C184 H168 B4 Cl8 F16 I4 N8 P8 Pt4 -","4","0.5","","Das, Rajorshi; Hepp, Alexander; Daniliuc, Constantin G.; Hahn, F. Ekkehardt","Synthesis of Complexes with Protic NH,NH-NHC Ligands via Oxidative Addition of 2-Halogenoazoles to Zero-Valent Transition Metals","Organometallics","2014","33","23","6975","","10.1021/om501120u","","","0.71073","MoKα","","0.0395","0.0351","","","0.0914","0.0955","","","","","","1.057","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084864","10.8501","0.0014","19.699","0.003","19.699","","90","","90","","90","","4210.4","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H39 O11 P Ru3 -","- C41 H39 O11 P Ru3 -","- C164 H156 O44 P4 Ru12 -","4","1","","Yuan, Jia; Han, Zhi-Jun; Peng, Hui; Pi, Yun-Xiao; Chen, You; Liu, Sheng-Hua; Yu, Guang-Ao","Indenyl Ruthenium Complexes with an Unusual η3Coordination Mode","Organometallics","2014","33","24","7325","","10.1021/om500760w","","","0.71073","MoKα","","0.0558","0.0428","","","0.0989","0.1134","","","","","","1.092","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084865","10.3666","0.0009","11.013","0.0009","14.5762","0.0012","94.678","0.001","93.156","0.001","110.295","0.001","1549.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H31 O6 P Ru2 -","- C33 H31 O6 P Ru2 -","- C66 H62 O12 P2 Ru4 -","2","1","","Yuan, Jia; Han, Zhi-Jun; Peng, Hui; Pi, Yun-Xiao; Chen, You; Liu, Sheng-Hua; Yu, Guang-Ao","Indenyl Ruthenium Complexes with an Unusual η3Coordination Mode","Organometallics","2014","33","24","7325","","10.1021/om500760w","","","0.71073","MoKα","","0.0373","0.0284","","","0.0981","0.1379","","","","","","1.171","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084866","10.2797","0.0005","11.2244","0.0005","16.2963","0.0008","90.863","0.001","96.9","0.001","115.468","0.001","1680.63","0.14","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H37 O6 P Ru2 -","- C36 H37 O6 P Ru2 -","- C72 H74 O12 P2 Ru4 -","2","1","","Yuan, Jia; Han, Zhi-Jun; Peng, Hui; Pi, Yun-Xiao; Chen, You; Liu, Sheng-Hua; Yu, Guang-Ao","Indenyl Ruthenium Complexes with an Unusual η3Coordination Mode","Organometallics","2014","33","24","7325","","10.1021/om500760w","","","0.71073","MoKα","","0.0312","0.0246","","","0.0763","0.115","","","","","","1.152","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084867","18.932","0.003","18.99","0.003","23.742","0.005","94.128","0.006","106.101","0.006","119.779","0.004","6889","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C88.5 H77 P4.5 Ru -","- C88.5 H77 P4.5 Ru -","- C354 H308 P18 Ru4 -","4","2","","Samouei, Hamidreza; Miloserdov, Fedor M.; Escudero-Adán, Eduardo C.; Grushin, Vladimir V.","Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and Related Ru(II) Complexes Used in Catalysis: A Reinvestigation","Organometallics","2014","33","24","7279","","10.1021/om5010572","","","0.71073","MoKα","","0.1449","0.0946","","","0.2096","0.2297","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084868","13.1634","0.0019","13.4181","0.0012","18.854","0.002","76.956","0.003","85.181","0.006","79.296","0.004","3184.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C81 H71 P4 Ru -","- C81 H71 P4 Ru -","- C162 H142 P8 Ru2 -","2","1","","Samouei, Hamidreza; Miloserdov, Fedor M.; Escudero-Adán, Eduardo C.; Grushin, Vladimir V.","Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and Related Ru(II) Complexes Used in Catalysis: A Reinvestigation","Organometallics","2014","33","24","7279","","10.1021/om5010572","","","0.71073","MoKα","","0.0525","0.041","","","0.1125","0.1319","","","","","","1.116","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084869","19.028","0.003","19.028","0.003","26.297","0.004","90","","90","","120","","8246","2","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C72 H62 P4 Ru -","- C72 H62.0001 P4 Ru -","- C432 H372.001 P24 Ru6 -","6","1","","Samouei, Hamidreza; Miloserdov, Fedor M.; Escudero-Adán, Eduardo C.; Grushin, Vladimir V.","Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and Related Ru(II) Complexes Used in Catalysis: A Reinvestigation","Organometallics","2014","33","24","7279","","10.1021/om5010572","","","0.71073","MoKα","","0.2414","0.0908","","","0.2071","0.2932","","","","","","1.015","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084870","18.676","0.004","14.475","0.003","22.815","0.003","90","","98.452","0.005","90","","6101","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H68 O4 P4 Ru2 -","- C72 H68 O4 P4 Ru2 -","- C288 H272 O16 P16 Ru8 -","4","1","","Samouei, Hamidreza; Miloserdov, Fedor M.; Escudero-Adán, Eduardo C.; Grushin, Vladimir V.","Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and Related Ru(II) Complexes Used in Catalysis: A Reinvestigation","Organometallics","2014","33","24","7279","","10.1021/om5010572","","","0.71073","MoKα","","0.0981","0.0546","","","0.0957","0.1086","","","","","","1.047","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084871","9.556","0.006","21.3","0.02","24.96","0.03","90","","90","","90","","5080","8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H65 O2 P3 Ru -","- C62 H65 O2 P3 Ru -","- C248 H260 O8 P12 Ru4 -","4","1","","Samouei, Hamidreza; Miloserdov, Fedor M.; Escudero-Adán, Eduardo C.; Grushin, Vladimir V.","Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and Related Ru(II) Complexes Used in Catalysis: A Reinvestigation","Organometallics","2014","33","24","7279","","10.1021/om5010572","","","0.71073","MoKα","","0.1006","0.0719","","","0.1653","0.1817","","","","","","1.064","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084872","49.3","0.02","13.349","0.006","22.582","0.011","90","","93.219","0.011","90","","14838","12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H83 O0.5 P5 Ru2 -","- C92 H83 O0.5 P5 Ru2 -","- C736 H664 O4 P40 Ru16 -","8","1","","Samouei, Hamidreza; Miloserdov, Fedor M.; Escudero-Adán, Eduardo C.; Grushin, Vladimir V.","Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and Related Ru(II) Complexes Used in Catalysis: A Reinvestigation","Organometallics","2014","33","24","7279","","10.1021/om5010572","","","0.71073","MoKα","","0.1637","0.1065","","","0.2377","0.2636","","","","","","1.297","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084873","26.027","0.003","19.2169","0.0018","18.0579","0.0018","90","","102.51","0.004","90","","8817.4","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H47 N2 P3 Ru -","- C54 H47 N2 P3 Ru -","- C432 H376 N16 P24 Ru8 -","8","2","","Samouei, Hamidreza; Miloserdov, Fedor M.; Escudero-Adán, Eduardo C.; Grushin, Vladimir V.","Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and Related Ru(II) Complexes Used in Catalysis: A Reinvestigation","Organometallics","2014","33","24","7279","","10.1021/om5010572","","","0.71073","MoKα","","0.1438","0.0595","","","0.0975","0.1209","","","","","","1.018","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084874","9.3207","0.0004","12.4575","0.0005","20.3145","0.0009","82.852","0.001","80.399","0.001","74.702","0.002","2235.29","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H52 P3 Ru -","- C57 H52 P3 Ru -","- C114 H104 P6 Ru2 -","2","1","","Samouei, Hamidreza; Miloserdov, Fedor M.; Escudero-Adán, Eduardo C.; Grushin, Vladimir V.","Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and Related Ru(II) Complexes Used in Catalysis: A Reinvestigation","Organometallics","2014","33","24","7279","","10.1021/om5010572","","","0.71073","MoKα","","0.0662","0.0443","","","0.0952","0.1083","","","","","","1.019","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084875","13.122","0.002","14.106","0.003","17.813","0.004","68.395","0.005","89.802","0.006","70.952","0.005","2872","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 Cl2 P4 Ru -","- C72 H60 Cl2 P4 Ru -","- C144 H120 Cl4 P8 Ru2 -","2","1","","Samouei, Hamidreza; Miloserdov, Fedor M.; Escudero-Adán, Eduardo C.; Grushin, Vladimir V.","Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and Related Ru(II) Complexes Used in Catalysis: A Reinvestigation","Organometallics","2014","33","24","7279","","10.1021/om5010572","","","0.71073","MoKα","","0.0655","0.0435","","","0.0834","0.0935","","","","","","1.032","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084876","29.884","0.003","16.1472","0.0014","15.8744","0.0018","90","","101.532","0.011","90","","7505.4","1.3","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H104 Li N4 Nd O5 -","- C70 H104 Li N4 Nd O5 -","- C280 H416 Li4 N16 Nd4 O20 -","4","0.5","","Zhang, Min; Ni, Xufeng; Shen, Zhiquan","Synthesis of Bimetallic Bis(phenolate) N-Heterocyclic Carbene Lanthanide Complexes and Their Applications in the Ring-Opening Polymerization ofl-Lactide","Organometallics","2014","33","23","6861","","10.1021/om500930m","","","0.71073","MoKα","","0.113","0.0946","","","0.2307","0.2411","","","","","","1.2","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084877","15.169","0.0006","15.7988","0.0007","17.6984","0.0007","63.773","0.004","71.725","0.004","80.526","0.003","3611.2","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C140 H208 K2 N8 Nd2 O10 -","- C140 H208 K2 N8 Nd2 O10 -","- C140 H208 K2 N8 Nd2 O10 -","1","0.5","","Zhang, Min; Ni, Xufeng; Shen, Zhiquan","Synthesis of Bimetallic Bis(phenolate) N-Heterocyclic Carbene Lanthanide Complexes and Their Applications in the Ring-Opening Polymerization ofl-Lactide","Organometallics","2014","33","23","6861","","10.1021/om500930m","","","0.71073","MoKα","","0.0619","0.0471","","","0.1174","0.1283","","","","","","1.062","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084878","15.1703","0.0007","15.8589","0.0007","17.7284","0.0007","64.125","0.004","71.527","0.004","80.97","0.004","3639","0.3","170.1","","170.1","","","","","","","","","6","P -1","-P 1","2","","","","- C140 H208 K2 La2 N8 O10 -","- C140 H208 K2 La2 N8 O10 -","- C140 H208 K2 La2 N8 O10 -","1","0.5","","Zhang, Min; Ni, Xufeng; Shen, Zhiquan","Synthesis of Bimetallic Bis(phenolate) N-Heterocyclic Carbene Lanthanide Complexes and Their Applications in the Ring-Opening Polymerization ofl-Lactide","Organometallics","2014","33","23","6861","","10.1021/om500930m","","","0.71073","MoKα","","0.0688","0.0494","","","0.1226","0.1357","","","","","","1.071","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084879","21.2101","0.0005","16.0103","0.0004","32.8449","0.0008","90","","103.058","0.003","90","","10865.1","0.5","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99 H147 Cl3 N6 O6 Sm2 -","- C99 H147 Cl3 N6 O6 Sm2 -","- C396 H588 Cl12 N24 O24 Sm8 -","4","1","","Zhang, Min; Ni, Xufeng; Shen, Zhiquan","Synthesis of Bimetallic Bis(phenolate) N-Heterocyclic Carbene Lanthanide Complexes and Their Applications in the Ring-Opening Polymerization ofl-Lactide","Organometallics","2014","33","23","6861","","10.1021/om500930m","","","0.71073","MoKα","","0.0649","0.0453","","","0.1166","0.1274","","","","","","1.077","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084880","21.224","0.0005","15.9557","0.0003","32.8908","0.0007","90","","103.329","0.002","90","","10838.2","0.4","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99 H147 Cl3 Dy2 N6 O6 -","- C99 H147 Cl3 Dy2 N6 O6 -","- C396 H588 Cl12 Dy8 N24 O24 -","4","1","","Zhang, Min; Ni, Xufeng; Shen, Zhiquan","Synthesis of Bimetallic Bis(phenolate) N-Heterocyclic Carbene Lanthanide Complexes and Their Applications in the Ring-Opening Polymerization ofl-Lactide","Organometallics","2014","33","23","6861","","10.1021/om500930m","","","0.71073","MoKα","","0.0545","0.0391","","","0.1028","0.112","","","","","","1.057","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084881","21.2225","0.0008","15.924","0.0005","32.9756","0.0011","90","","103.321","0.004","90","","10844.2","0.7","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99 H147 Cl3 Er2 N6 O6 -","- C99 H147 Cl3 Er2 N6 O6 -","- C396 H588 Cl12 Er8 N24 O24 -","4","1","","Zhang, Min; Ni, Xufeng; Shen, Zhiquan","Synthesis of Bimetallic Bis(phenolate) N-Heterocyclic Carbene Lanthanide Complexes and Their Applications in the Ring-Opening Polymerization ofl-Lactide","Organometallics","2014","33","23","6861","","10.1021/om500930m","","","0.71073","MoKα","","0.0627","0.0416","","","0.1091","0.1209","","","","","","1.06","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084882","8.4265","0.0008","29.618","0.003","15.6946","0.0016","90","","101.297","0.003","90","","3841.1","0.7","101","2","101","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H43 Cl3 Ir2 N4 -","- C36 H43 Cl3 Ir2 N4 -","- C144 H172 Cl12 Ir8 N16 -","4","1","","Semwal, Shrivats; Ghorai, Debasish; Choudhury, Joyanta","Wingtip-Dictated Cyclometalation of N-Heterocyclic Carbene Ligand Framework and Its Implication toward Tunable Catalytic Activity","Organometallics","2014","33","24","7118","","10.1021/om500876k","","","0.71073","MoKα","","0.0297","0.0251","","","0.0628","0.0644","","","","","","0.999","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084883","10.7501","0.0008","12.5808","0.0009","15.0063","0.0011","101.289","0.003","106.457","0.003","93.716","0.002","1893.1","0.2","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H39 Cl6 N3 Ru2 -","- C35 H39 Cl6 N3 Ru2 -","- C70 H78 Cl12 N6 Ru4 -","2","1","","Semwal, Shrivats; Ghorai, Debasish; Choudhury, Joyanta","Wingtip-Dictated Cyclometalation of N-Heterocyclic Carbene Ligand Framework and Its Implication toward Tunable Catalytic Activity","Organometallics","2014","33","24","7118","","10.1021/om500876k","","","0.71073","MoKα","","0.0665","0.0403","","","0.0906","0.0999","","","","","","1.06","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084884","7.9997","0.0011","30.103","0.005","14.061","0.002","90","","90.478","0.004","90","","3386","0.9","107","2","107","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 Cl3 Ir2 N3 -","- C35 H42 Cl3 Ir2 N3 -","- C140 H168 Cl12 Ir8 N12 -","4","1","","Semwal, Shrivats; Ghorai, Debasish; Choudhury, Joyanta","Wingtip-Dictated Cyclometalation of N-Heterocyclic Carbene Ligand Framework and Its Implication toward Tunable Catalytic Activity","Organometallics","2014","33","24","7118","","10.1021/om500876k","","","0.71073","MoKα","","0.0725","0.0419","","","0.072","0.0784","","","","","","1.074","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084885","7.2163","0.0004","10.1628","0.0005","10.6832","0.0005","90","","98.452","0.001","90","","774.97","0.07","100","2","100","2","","","","","","","synthetical product","4","C 1 2/m 1","-C 2y","12","","1,3-bis(1,1-dimethylpropyl)-1,1,3,3-tetrahydroxydisiloxane","","- C10 H26 O5 Si2 -","- C10 H26 O5 Si2 -","- C20 H52 O10 Si4 -","2","0.25","","Hurkes, Natascha; Bruhn, Clemens; Belaj, Ferdinand; Pietschnig, Rudolf","Silanetriols as Powerful Starting Materials for Selective Condensation to Bulky POSS Cages.","Organometallics","2014","33","24","7299","7306","10.1021/om5010918","","","0.71073","MoKα","","0.0369","0.0348","","","0.094","0.0967","","","","","","1.082","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084886","7.2991","0.0008","10.1695","0.0011","27.408","0.004","90","","90","","90","","2034.4","0.4","100","2","100","2","","","","","","","synthetical product","4","C 2 2 21","C 2c 2","20","","1,3-bis(1,1-dimethylpentyl)-1,1,3,3-tetrahydroxydisiloxane","","- C14 H34 O5 Si2 -","- C14 H34 O5 Si2 -","- C56 H136 O20 Si8 -","4","0.5","","Hurkes, Natascha; Bruhn, Clemens; Belaj, Ferdinand; Pietschnig, Rudolf","Silanetriols as Powerful Starting Materials for Selective Condensation to Bulky POSS Cages.","Organometallics","2014","33","24","7299","7306","10.1021/om5010918","","","0.71073","MoKα","","0.0711","0.0685","","","0.1733","0.1752","","","","","","1.089","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084887","7.2195","0.0004","10.0508","0.0005","35.0554","0.0017","90","","92.856","0.002","90","","2540.5","0.2","100","2","100","2","","","","","","","synthetical product","4","C 1 2/c 1","-C 2yc","15","","1,3-bis(1,1-dimethyloctyl)-1,1,3,3-tetrahydroxydisiloxane","","- C20 H46 O5 Si2 -","- C20 H46 O5 Si2 -","- C80 H184 O20 Si8 -","4","0.5","","Hurkes, Natascha; Bruhn, Clemens; Belaj, Ferdinand; Pietschnig, Rudolf","Silanetriols as Powerful Starting Materials for Selective Condensation to Bulky POSS Cages.","Organometallics","2014","33","24","7299","7306","10.1021/om5010918","","","0.71073","MoKα","","0.0755","0.0745","","","0.1643","0.1649","","","","","","1.169","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084888","10.7426","0.0014","11.0102","0.0013","11.864","0.0014","111.291","0.009","72.229","0.009","94.686","0.01","1244.4","0.3","100","2","100","2","","","","","","","synthetical product","4","P -1","-P 1","2","","octakis(tert-butyl)octasilsesquioxane","","- C32 H72 O12 Si8 -","- C32 H72 O12 Si8 -","- C32 H72 O12 Si8 -","1","0.5","","Hurkes, Natascha; Bruhn, Clemens; Belaj, Ferdinand; Pietschnig, Rudolf","Silanetriols as Powerful Starting Materials for Selective Condensation to Bulky POSS Cages.","Organometallics","2014","33","24","7299","7306","10.1021/om5010918","","","0.71073","MoKα","","0.0534","0.0454","","","0.1293","0.1334","","","","","","1.013","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084889","13.2192","0.0004","13.2192","0.0004","53.3347","0.0018","90","","90","","120","","8071.4","0.4","100","2","100","2","","","","","","","synthetical product","4","R -3 c :H","-R 3 2""c","167","","octakis(1,1-dimethylpropyl)octasilsesquioxane","","- C40 H88 O12 Si8 -","- C40 H88 O12 Si8 -","- C240 H528 O72 Si48 -","6","0.166667","","Hurkes, Natascha; Bruhn, Clemens; Belaj, Ferdinand; Pietschnig, Rudolf","Silanetriols as Powerful Starting Materials for Selective Condensation to Bulky POSS Cages.","Organometallics","2014","33","24","7299","7306","10.1021/om5010918","","","0.71073","MoKα","","0.0482","0.0416","","","0.12","0.128","","","","","","1.064","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084890","10.8944","0.0004","12.6042","0.0004","13.4936","0.0005","68.8952","0.0011","87.8745","0.0012","66.4831","0.0011","1572.67","0.1","100","2","100","2","","","","","","","synthetical product","4","P -1","-P 1","2","","octakis(1,1-dimethylbutyl)octasilsesquioxane","","- C48 H104 O12 Si8 -","- C48 H104 O12 Si8 -","- C48 H104 O12 Si8 -","1","0.5","","Hurkes, Natascha; Bruhn, Clemens; Belaj, Ferdinand; Pietschnig, Rudolf","Silanetriols as Powerful Starting Materials for Selective Condensation to Bulky POSS Cages.","Organometallics","2014","33","24","7299","7306","10.1021/om5010918","","","0.71073","MoKα","","0.03","0.0264","","","0.0742","0.0783","","","","","","1.055","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084891","14.1192","0.0009","12.8237","0.0005","20.1991","0.0012","90","","97.065","0.005","90","","3629.5","0.3","173","2","173","2","","","","","","","synthetical product","4","P 1 21/n 1","-P 2yn","14","","octakis(1,1-dimethylpentyl)octasilsesquioxane","","- C56 H120 O12 Si8 -","- C56 H120 O12 Si8 -","- C112 H240 O24 Si16 -","2","0.5","","Hurkes, Natascha; Bruhn, Clemens; Belaj, Ferdinand; Pietschnig, Rudolf","Silanetriols as Powerful Starting Materials for Selective Condensation to Bulky POSS Cages.","Organometallics","2014","33","24","7299","7306","10.1021/om5010918","","","0.71073","MoKα","","0.0951","0.0745","","","0.1887","0.2028","","","","","","1.003","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084892","12.297","0.006","13.021","0.006","19.632","0.009","88.07","0.015","73.434","0.015","85.823","0.016","3005","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H49 B F24 Ir P -","- C61 H49 B F24 Ir P -","- C122 H98 B2 F48 Ir2 P2 -","2","1","","Espada, Mar\?ía F.; Poveda, Manuel L.; Carmona, Ernesto","Reactivity of a Cationic (C5Me5)IrIII-Cyclometalated Phosphine Complex with Alkynes","Organometallics","2014","33","24","7164","","10.1021/om5009742","","","0.71073","MoKα","","0.0439","0.0402","","","0.098","0.1006","","","","","","1.109","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084893","17.5239","0.0011","15.3243","0.0012","24.6757","0.0016","90","","102.937","0.002","90","","6458.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54.4 H44 B0.8 F19.2 Ir0.8 P0.8 -","- C54.4 H44 B0.8 F19.2 Ir0.8 P0.8 -","- C272 H220 B4 F96 Ir4 P4 -","5","1.25","","Espada, Mar\?ía F.; Poveda, Manuel L.; Carmona, Ernesto","Reactivity of a Cationic (C5Me5)IrIII-Cyclometalated Phosphine Complex with Alkynes","Organometallics","2014","33","24","7164","","10.1021/om5009742","","","0.71073","MoKα","","0.06","0.0391","","","0.0995","0.109","","","","","","1.075","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084894","12.8503","0.0011","18.7529","0.0016","24.331","0.002","90","","97.42","0.002","90","","5814.2","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H49 B F24 Ir P -","- C61 H49 B F24 Ir P -","- C244 H196 B4 F96 Ir4 P4 -","4","1","","Espada, Mar\?ía F.; Poveda, Manuel L.; Carmona, Ernesto","Reactivity of a Cationic (C5Me5)IrIII-Cyclometalated Phosphine Complex with Alkynes","Organometallics","2014","33","24","7164","","10.1021/om5009742","","","0.71073","MoKα","","0.0622","0.0444","","","0.1056","0.113","","","","","","1.073","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084895","18.3399","0.0007","12.1037","0.0004","28.6392","0.0009","90","","97.566","0.001","90","","6302","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H53 B F24 Ir P -","- C67 H53 B F24 Ir P -","- C268 H212 B4 F96 Ir4 P4 -","4","1","","Espada, Mar\?ía F.; Poveda, Manuel L.; Carmona, Ernesto","Reactivity of a Cationic (C5Me5)IrIII-Cyclometalated Phosphine Complex with Alkynes","Organometallics","2014","33","24","7164","","10.1021/om5009742","","","0.71073","MoKα","","0.0313","0.0251","","","0.0603","0.0624","","","","","","1.04","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084896","19.9766","0.0005","24.9257","0.0008","28.1839","0.0009","90","","90","","90","","14033.6","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C134 H106 B2 F48 Ir2 P2 -","- C134 H106 B2 F48 Ir2 P2 -","- C536 H424 B8 F192 Ir8 P8 -","4","1","","Espada, Mar\?ía F.; Poveda, Manuel L.; Carmona, Ernesto","Reactivity of a Cationic (C5Me5)IrIII-Cyclometalated Phosphine Complex with Alkynes","Organometallics","2014","33","24","7164","","10.1021/om5009742","","","0.71073","MoKα","","0.0712","0.0599","","","0.1566","0.1633","","","","","","1.034","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084897","14.607","0.001","17.648","0.001","18.636","0.001","116.029","0.002","110.352","0.002","111.363","0.002","3196","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H52 B F24 Ir P -","- C67 H52 B F24 Ir P -","- C134 H104 B2 F48 Ir2 P2 -","2","1","","Espada, Mar\?ía F.; Poveda, Manuel L.; Carmona, Ernesto","Reactivity of a Cationic (C5Me5)IrIII-Cyclometalated Phosphine Complex with Alkynes","Organometallics","2014","33","24","7164","","10.1021/om5009742","","","0.71073","MoKα","","0.0737","0.0596","","","0.1646","0.1742","","","","","","1.105","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084898","12.4738","0.0007","18.8575","0.0011","28.3253","0.0016","94.375","0.002","96.941","0.002","92.908","0.002","6582.6","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H55 B F24 Ir P -","- C68 H55 B F24 Ir P -","- C272 H220 B4 F96 Ir4 P4 -","4","2","","Espada, Mar\?ía F.; Poveda, Manuel L.; Carmona, Ernesto","Reactivity of a Cationic (C5Me5)IrIII-Cyclometalated Phosphine Complex with Alkynes","Organometallics","2014","33","24","7164","","10.1021/om5009742","","","0.71073","MoKα","","0.0535","0.0388","","","0.0952","0.1006","","","","","","1.074","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084899","34.235","0.002","34.235","0.002","11.1251","0.0009","90","","90","","120","","11292.1","1.3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C29 H33 B2 N2 -","- C29 H33 B2 N2 -","- C522 H594 B36 N36 -","18","1","","Pospiech, Steffen; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Insertion Reactions into the Boron‒Boron Bonds of Barrelene-Type 1,2-Diaminodiboranes(4)","Organometallics","2014","33","23","6967","","10.1021/om501087u","","","0.71073","MoKα","","0.094","0.0615","","","0.1446","0.1602","","","","","","0.963","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084900","9.9115","0.0007","18.8798","0.0009","16.9717","0.0011","90","","90.179","0.005","90","","3175.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 B2 N2 P2 Pt -","- C30 H52 B2 N2 P2 Pt -","- C120 H208 B8 N8 P8 Pt4 -","4","1","","Pospiech, Steffen; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Insertion Reactions into the Boron‒Boron Bonds of Barrelene-Type 1,2-Diaminodiboranes(4)","Organometallics","2014","33","23","6967","","10.1021/om501087u","","","0.71073","MoKα","","0.0314","0.0269","","","0.0672","0.0687","","","","","","1.094","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084901","16.6153","0.0007","18.7713","0.0008","24.1979","0.0013","90","","90","","90","","7547.1","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H56 B2 N2 P2 Pt -","- C38 H56 B2 N2 P2 Pt -","- C304 H448 B16 N16 P16 Pt8 -","8","1","","Pospiech, Steffen; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Insertion Reactions into the Boron‒Boron Bonds of Barrelene-Type 1,2-Diaminodiboranes(4)","Organometallics","2014","33","23","6967","","10.1021/om501087u","","","0.71073","MoKα","","0.0743","0.0404","","","0.0868","0.0965","","","","","","0.92","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084902","20.396","0.002","9.1234","0.0008","27.157","0.002","90","","90","","90","","5053.4","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H31 B2 N3 -","- C23 H31 B2 N3 -","- C184 H248 B16 N24 -","8","1","","Pospiech, Steffen; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Insertion Reactions into the Boron‒Boron Bonds of Barrelene-Type 1,2-Diaminodiboranes(4)","Organometallics","2014","33","23","6967","","10.1021/om501087u","","","0.71073","MoKα","","0.1673","0.1265","","","0.2783","0.2922","","","","","","1.181","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084903","10.399","0.002","14.786","0.004","15.916","0.004","72.696","0.018","88.032","0.019","88.267","0.019","2334.6","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 B4 N6 O -","- C44 H60 B4 N6 O -","- C88 H120 B8 N12 O2 -","2","1","","Pospiech, Steffen; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Insertion Reactions into the Boron‒Boron Bonds of Barrelene-Type 1,2-Diaminodiboranes(4)","Organometallics","2014","33","23","6967","","10.1021/om501087u","","","0.71073","MoKα","","0.1887","0.0705","","","0.1431","0.1819","","","","","","0.786","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084904","10.0444","0.0005","19.2141","0.0008","15.9729","0.0007","90","","99.758","0.004","90","","3038.1","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H60 P4 Pt -","- C24 H60 P4 Pt -","- C96 H240 P16 Pt4 -","4","0.5","","Pospiech, Steffen; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Insertion Reactions into the Boron‒Boron Bonds of Barrelene-Type 1,2-Diaminodiboranes(4)","Organometallics","2014","33","23","6967","","10.1021/om501087u","","","0.71073","MoKα","","0.0301","0.0296","","","0.0725","0.0729","","","","","","1.085","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084905","12.8369","0.0013","21.47","0.002","15.3475","0.0015","90","","107.542","0.001","90","","4033.2","0.7","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H49 Fe P3 -","- C49 H49 Fe P3 -","- C196 H196 Fe4 P12 -","4","1","","Mukhopadhyay, Tufan K.; Flores, Marco; Feller, Russell K.; Scott, Brian L.; Taylor, R. Dean; Paz-Pasternak, Moshe; Henson, Neil J.; Rein, Francisca N.; Smythe, Nathan C.; Trovitch, Ryan J.; Gordon, John C.","A New Spin on Cyclooctatetraene (COT) Redox Activity: Low-Spin Iron(I) Complexes That Exhibit Antiferromagnetic Coupling to a Singly Reduced η4-COT Ligand","Organometallics","2014","33","24","7101","","10.1021/om500909h","","","0.71073","MoKα","","0.0357","0.0295","","","0.075","0.0792","","","","","","1.034","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084906","18.839","0.002","10.8349","0.0012","18.785","0.002","90","","97.296","0.001","90","","3803.3","0.7","120","1","120","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H47 Fe P3 -","- C49 H47 Fe P3 -","- C196 H188 Fe4 P12 -","4","1","","Mukhopadhyay, Tufan K.; Flores, Marco; Feller, Russell K.; Scott, Brian L.; Taylor, R. Dean; Paz-Pasternak, Moshe; Henson, Neil J.; Rein, Francisca N.; Smythe, Nathan C.; Trovitch, Ryan J.; Gordon, John C.","A New Spin on Cyclooctatetraene (COT) Redox Activity: Low-Spin Iron(I) Complexes That Exhibit Antiferromagnetic Coupling to a Singly Reduced η4-COT Ligand","Organometallics","2014","33","24","7101","","10.1021/om500909h","","","0.71073","MoKα","","0.0656","0.0403","","","0.0822","0.0928","","","","","","1.027","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084907","9.8705","0.0005","28.4738","0.0013","20.7566","0.001","90","","93.43","0.001","90","","5823.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H66 Fe P6 -","- C68 H66 Fe P6 -","- C272 H264 Fe4 P24 -","4","1","","Mukhopadhyay, Tufan K.; Flores, Marco; Feller, Russell K.; Scott, Brian L.; Taylor, R. Dean; Paz-Pasternak, Moshe; Henson, Neil J.; Rein, Francisca N.; Smythe, Nathan C.; Trovitch, Ryan J.; Gordon, John C.","A New Spin on Cyclooctatetraene (COT) Redox Activity: Low-Spin Iron(I) Complexes That Exhibit Antiferromagnetic Coupling to a Singly Reduced η4-COT Ligand","Organometallics","2014","33","24","7101","","10.1021/om500909h","","","0.71073","MoKα","","0.0852","0.0453","","","0.0889","0.1027","","","","","","1.012","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084908","12.6675","0.0003","21.9658","0.0004","24.5172","0.0005","90","","97.6953","0.0007","90","","6760.5","0.2","198","","198","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H102 As4 Cl4 N4 Ru2 -","- C60 H86 As4 Cl4 N4 Ru2 -","- C240 H344 As16 Cl16 N16 Ru8 -","4","1","","Tanabe, Yoshiaki; Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Correction to Synthesis and Reactivity of Ruthenium Complexes Bearing Arsenic-Containing Arsenic-Nitrogen-Arsenic-Type Pincer Ligand","Organometallics","2014","33","24","7333","","10.1021/om5011676","","","0.71075","MoKα","","","0.0478","","","","0.0969","","","","","","1","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084909","8.8245","0.0007","10.7552","0.0009","15.7964","0.001","107.354","0.0018","93.752","0.002","98.0469","0.0017","1407.75","0.19","198","","198","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H44 As2 Cl N O Ru -","- C24 H44 As2 Cl N O Ru -","- C48 H88 As4 Cl2 N2 O2 Ru2 -","2","1","","Tanabe, Yoshiaki; Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Correction to Synthesis and Reactivity of Ruthenium Complexes Bearing Arsenic-Containing Arsenic-Nitrogen-Arsenic-Type Pincer Ligand","Organometallics","2014","33","24","7333","","10.1021/om5011676","","","0.71075","MoKα","","","0.0513","","","","0.1296","","","","","","1","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084910","8.036","0.003","8.385","0.003","11.704","0.004","98.158","0.016","103.103","0.018","117.742","0.016","651.2","0.4","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H50 P2 Pd -","- C22 H50 P2 Pd -","- C22 H50 P2 Pd -","1","0.5","","Proutiere, Fabien; Lyngvi, Eirik; Aufiero, Marialuisa; Sanhueza, Italo A.; Schoenebeck, Franziska","Combining the Reactivity Properties of PCy3and PtBu3into a Single Ligand, P(iPr)(tBu)2. Reaction via Mono- or Bisphosphine Palladium(0) Centers and Palladium(I) Dimer Formation","Organometallics","2014","33","23","6879","","10.1021/om5009605","","x-ray","0.71073","MoKα","","0.0634","0.0436","","","0.1048","0.1156","","","","","","1.054","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084911","10.4969","0.001","11.1685","0.0011","12.5738","0.0012","84.769","0.001","86.613","0.002","87.77","0.002","1464.5","0.2","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H50 I2 P2 Pd2 -","- C22 H50 I2 P2 Pd2 -","- C44 H100 I4 P4 Pd4 -","2","1","","Proutiere, Fabien; Lyngvi, Eirik; Aufiero, Marialuisa; Sanhueza, Italo A.; Schoenebeck, Franziska","Combining the Reactivity Properties of PCy3and PtBu3into a Single Ligand, P(iPr)(tBu)2. Reaction via Mono- or Bisphosphine Palladium(0) Centers and Palladium(I) Dimer Formation","Organometallics","2014","33","23","6879","","10.1021/om5009605","","x-ray","0.71073","MoKα","","0.0341","0.0243","","","0.0572","0.0601","","","","","","1.05","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084912","12.5833","0.0004","13.1462","0.0004","25.7463","0.0009","100.054","0.003","92.041","0.003","110.548","0.003","3905.1","0.2","110","0.14","110","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C96 H80 B Cl2 O4 P3 Ru -","- C95.997 H79.994 B Cl1.994 O4 P3 Ru -","- C191.994 H159.988 B2 Cl3.988 O8 P6 Ru2 -","2","1","","Smith, Elizabeth J.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis of Phosphonium-Substituted Vinylidene Complexes from [HC\τb CCH2PPh3]+: Exploring the Competition between Allene and Vinylidene Formation.","Organometallics","2014","33","24","7260","","10.1021/om5010429","","","0.7107","MoKα","","0.0762","0.0516","","","0.0995","0.112","","","","","","1.031","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084913","11.7606","0.0006","15.4442","0.0007","17.4519","0.0008","94.638","0.004","92.883","0.004","103.829","0.004","3059.9","0.3","110","0.1","110","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C61.87 H55.81 B Br0.08 Cl2.04 F4 O3.85 P3 Ru -","- C61.868 H55.812 B Br0.076 Cl2.04 F4 O3.848 P3 Ru -","- C123.736 H111.624 B2 Br0.152 Cl4.08 F8 O7.696 P6 Ru2 -","2","1","","Smith, Elizabeth J.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis of Phosphonium-Substituted Vinylidene Complexes from [HC\τb CCH2PPh3]+: Exploring the Competition between Allene and Vinylidene Formation.","Organometallics","2014","33","24","7260","","10.1021/om5010429","","","0.71073","MoKα","","0.0935","0.0724","","","0.1976","0.2128","","","","","","1.088","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084914","11.8805","0.0003","13.4688","0.0003","20.1628","0.0005","95.303","0.002","104.015","0.002","97.399","0.002","3078.54","0.13","110.05","0.1","110.05","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C66 H57 B Br Cl4 F4 O2 P3 Ru -","- C65.9991 H56.9982 B1.0004 Br Cl3.9982 F4.0016 O2 P3 Ru -","- C131.998 H113.996 B2.0008 Br2 Cl7.9964 F8.0032 O4 P6 Ru2 -","2","1","","Smith, Elizabeth J.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis of Phosphonium-Substituted Vinylidene Complexes from [HC\τb CCH2PPh3]+: Exploring the Competition between Allene and Vinylidene Formation.","Organometallics","2014","33","24","7260","","10.1021/om5010429","","","0.7107","MoKα","","0.0797","0.0565","","","0.1322","0.1463","","","","","","1.039","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084915","9.9081","0.0004","13.7516","0.0007","14.6581","0.0008","65.358","0.005","75.008","0.004","83.678","0.004","1753.52","0.17","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H34 B2 F8 P2 -","- C39 H34 B2 F8 P2 -","- C78 H68 B4 F16 P4 -","2","1","","Smith, Elizabeth J.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis of Phosphonium-Substituted Vinylidene Complexes from [HC\τb CCH2PPh3]+: Exploring the Competition between Allene and Vinylidene Formation.","Organometallics","2014","33","24","7260","","10.1021/om5010429","","","0.71073","MoKα","","0.0981","0.0765","","","0.1706","0.1828","","","","","","1.079","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084916","11.6843","0.0004","12.6555","0.0004","21.5962","0.0015","99.886","0.007","90.287","0.006","106.837","0.008","3006.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H88 B Cl O P3 Rh -","- C67 H88 B Cl O P3 Rh -","- C134 H176 B2 Cl2 O2 P6 Rh2 -","2","1","","Smith, Elizabeth J.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis of Phosphonium-Substituted Vinylidene Complexes from [HC\τb CCH2PPh3]+: Exploring the Competition between Allene and Vinylidene Formation.","Organometallics","2014","33","24","7260","","10.1021/om5010429","","","0.7107","MoKα","","0.0487","0.0366","","","0.0781","0.0827","","","","","","1.05","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084917","11.6846","0.0004","12.6788","0.0004","21.6243","0.0008","99.684","0.003","90.372","0.003","106.822","0.003","3017.62","0.19","110","0.14","110","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C67 H88 B Cl O P3 Rh -","- C67 H88 B Cl O P3 Rh -","- C134 H176 B2 Cl2 O2 P6 Rh2 -","2","1","","Smith, Elizabeth J.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.","Synthesis of Phosphonium-Substituted Vinylidene Complexes from [HC\τb CCH2PPh3]+: Exploring the Competition between Allene and Vinylidene Formation.","Organometallics","2014","33","24","7260","","10.1021/om5010429","","x-ray","0.71073","MoKα","","0.065","0.0517","","","0.1163","0.1231","","","","","","1.119","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084918","31.802","0.006","11.961","0.002","23.279","0.005","90","","109.46","0.03","90","","8349","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H123.25 Au2 Ge2 N2 P2 Si16 -","- C44.9476 H123.369 Au2 Ge2 N2 P2 Si16 -","- C179.79 H493.476 Au8 Ge8 N8 P8 Si64 -","4","1","","Hlina, Johann; Arp, Henning; Walewska, Małgorzata; Flörke, Ulrich; Zangger, Klaus; Marschner, Christoph; Baumgartner, Judith","Coordination Chemistry of Cyclic Disilylated Germylenes and Stannylenes with Group 11 Metals.","Organometallics","2014","33","24","7069","7077","10.1021/om500668r","","","0.71073","MoKα","","0.0953","0.0749","","","0.1415","0.1479","","","","","","1.191","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084919","31.891","0.006","11.972","0.002","23.341","0.005","90","","109.47","0.03","90","","8402","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H126 Au2 Ge6 N2 P2 Si12 -","- C46 H126 Au2 Ge6 N2 P2 Si12 -","- C184 H504 Au8 Ge24 N8 P8 Si48 -","4","1","","Hlina, Johann; Arp, Henning; Walewska, Małgorzata; Flörke, Ulrich; Zangger, Klaus; Marschner, Christoph; Baumgartner, Judith","Coordination Chemistry of Cyclic Disilylated Germylenes and Stannylenes with Group 11 Metals.","Organometallics","2014","33","24","7069","7077","10.1021/om500668r","","","0.71073","MoKα","","0.0655","0.0497","","","0.1003","0.1056","","","","","","1.076","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084920","22.063","0.004","13.469","0.003","20.265","0.004","90","","90","","90","","6022","2","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C41 H63 Au B F15 Ge N P Si8 -","- C41 H63 Au B F15 Ge N P Si8 -","- C164 H252 Au4 B4 F60 Ge4 N4 P4 Si32 -","4","1","","Hlina, Johann; Arp, Henning; Walewska, Małgorzata; Flörke, Ulrich; Zangger, Klaus; Marschner, Christoph; Baumgartner, Judith","Coordination Chemistry of Cyclic Disilylated Germylenes and Stannylenes with Group 11 Metals.","Organometallics","2014","33","24","7069","7077","10.1021/om500668r","","","0.71073","MoKα","","0.0253","0.0233","","","0.0511","0.0517","","","","","","0.922","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084921","22.115","0.005","13.491","0.003","20.317","0.004","90","","90","","90","","6062","2","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C41 H63 Au B F15 Ge3 N P Si6 -","- C41 H63 Au B F15 Ge3 N P Si6 -","- C164 H252 Au4 B4 F60 Ge12 N4 P4 Si24 -","4","1","","Hlina, Johann; Arp, Henning; Walewska, Małgorzata; Flörke, Ulrich; Zangger, Klaus; Marschner, Christoph; Baumgartner, Judith","Coordination Chemistry of Cyclic Disilylated Germylenes and Stannylenes with Group 11 Metals.","Organometallics","2014","33","24","7069","7077","10.1021/om500668r","","","0.71073","MoKα","","0.0389","0.0352","","","0.0719","0.073","","","","","","0.989","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084922","12.63","0.003","13.505","0.003","27.281","0.006","90","","97.03","0.03","90","","4618.3","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H63 Ag Ge N P Si8 -","- C23 H63 Ag Ge N P Si8 -","- C92 H252 Ag4 Ge4 N4 P4 Si32 -","4","1","","Hlina, Johann; Arp, Henning; Walewska, Małgorzata; Flörke, Ulrich; Zangger, Klaus; Marschner, Christoph; Baumgartner, Judith","Coordination Chemistry of Cyclic Disilylated Germylenes and Stannylenes with Group 11 Metals.","Organometallics","2014","33","24","7069","7077","10.1021/om500668r","","","0.71073","MoKα","","0.0849","0.0635","","","0.1586","0.1711","","","","","","1.052","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084923","12.587","0.003","13.373","0.003","26.515","0.005","90","","96.89","0.03","90","","4430.9","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H63 Cu Ge N P Si8 -","- C23 H63 Cu Ge N P Si8 -","- C92 H252 Cu4 Ge4 N4 P4 Si32 -","4","1","","Hlina, Johann; Arp, Henning; Walewska, Małgorzata; Flörke, Ulrich; Zangger, Klaus; Marschner, Christoph; Baumgartner, Judith","Coordination Chemistry of Cyclic Disilylated Germylenes and Stannylenes with Group 11 Metals.","Organometallics","2014","33","24","7069","7077","10.1021/om500668r","","","0.71073","MoKα","","0.154","0.0973","","","0.2215","0.2495","","","","","","1.027","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084924","22.059","0.004","13.517","0.003","19.985","0.004","90","","90","","90","","5959","2","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C41 H63 B Cu F15 Ge N P Si8 -","- C41 H63 B Cu F15 Ge N P Si8 -","- C164 H252 B4 Cu4 F60 Ge4 N4 P4 Si32 -","4","1","","Hlina, Johann; Arp, Henning; Walewska, Małgorzata; Flörke, Ulrich; Zangger, Klaus; Marschner, Christoph; Baumgartner, Judith","Coordination Chemistry of Cyclic Disilylated Germylenes and Stannylenes with Group 11 Metals.","Organometallics","2014","33","24","7069","7077","10.1021/om500668r","","","0.71073","MoKα","","0.0308","0.0283","","","0.0599","0.0606","","","","","","0.974","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084925","32.214","0.006","12.094","0.002","23.532","0.005","90","","109.54","0.03","90","","8640","3","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45.25 H124.5 Au2 N2 P2 Si16 Sn2 -","- C45.4176 H124.752 Au2 N1.9168 P2 Si16 Sn2 -","- C181.67 H499.008 Au8 N7.6672 P8 Si64 Sn8 -","4","1","","Hlina, Johann; Arp, Henning; Walewska, Małgorzata; Flörke, Ulrich; Zangger, Klaus; Marschner, Christoph; Baumgartner, Judith","Coordination Chemistry of Cyclic Disilylated Germylenes and Stannylenes with Group 11 Metals.","Organometallics","2014","33","24","7069","7077","10.1021/om500668r","","","0.71073","MoKα","","0.0636","0.0414","","","0.0839","0.0906","","","","","","1.004","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084926","13.099","0.003","25.632","0.005","18.775","0.004","90","","106.54","0.03","90","","6043","2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 Au B F15 N P Si8 Sn -","- C41 H63 Au B F15 N P Si8 Sn -","- C164 H252 Au4 B4 F60 N4 P4 Si32 Sn4 -","4","1","","Hlina, Johann; Arp, Henning; Walewska, Małgorzata; Flörke, Ulrich; Zangger, Klaus; Marschner, Christoph; Baumgartner, Judith","Coordination Chemistry of Cyclic Disilylated Germylenes and Stannylenes with Group 11 Metals.","Organometallics","2014","33","24","7069","7077","10.1021/om500668r","","","0.71073","MoKα","","0.0381","0.033","","","0.0757","0.0778","","","","","","1.046","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084931","15.061","0.006","10.966","0.004","15.944","0.006","90","","90","","90","","2633.3","1.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N2 O -","- C14 H19 N2 O -","- C112 H152 N16 O8 -","8","1","","Zhai, Feng; Jordan, Richard F.","Hydrogen Bonding Behavior of Amide-Functionalized α-Diimine Palladium Complexes","Organometallics","2014","33","24","7176","","10.1021/om500978n","","","0.71073","MoKα","","0.0996","0.0563","","","0.1095","0.1186","","","","","","0.859","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084932","14.48","0.007","20.124","0.01","19.247","0.007","90","","121.97","0.03","90","","4758","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 N3 O -","- C27 H37 N3 O -","- C216 H296 N24 O8 -","8","2","","Zhai, Feng; Jordan, Richard F.","Hydrogen Bonding Behavior of Amide-Functionalized α-Diimine Palladium Complexes","Organometallics","2014","33","24","7176","","10.1021/om500978n","","","0.71073","MoKα","","0.2228","0.0691","","","0.0813","0.0988","","","","","","0.839","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084933","19.1678","0.0011","11.6556","0.0007","16.2196","0.0009","90","","90.122","0.002","90","","3623.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H45 Cl5 N4 O2 Pd -","- C31 H45 Cl5 N4 O2 Pd -","- C124 H180 Cl20 N16 O8 Pd4 -","4","1","","Zhai, Feng; Jordan, Richard F.","Hydrogen Bonding Behavior of Amide-Functionalized α-Diimine Palladium Complexes","Organometallics","2014","33","24","7176","","10.1021/om500978n","","","0.71073","Mo-Kα","","0.0401","0.0303","","","0.0669","0.071","","","","","","1.06","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084934","10.792","0.005","15.568","0.007","17.764","0.007","90","","110.88","0.02","90","","2789","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Cl N3 O Pd -","- C28 H40 Cl N3 O Pd -","- C112 H160 Cl4 N12 O4 Pd4 -","4","1","","Zhai, Feng; Jordan, Richard F.","Hydrogen Bonding Behavior of Amide-Functionalized α-Diimine Palladium Complexes","Organometallics","2014","33","24","7176","","10.1021/om500978n","","","0.71073","MoKα","","0.0806","0.0472","","","0.0826","0.0875","","","","","","1.044","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084935","20.407","0.007","11.594","0.004","17.802","0.006","90","","110.72","0.006","90","","3940","2","200","2","200","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C31 H44 Cl8 N4 O2 Pd -","- C31 H44 Cl8 N4 O2 Pd -","- C124 H176 Cl32 N16 O8 Pd4 -","4","1","","Zhai, Feng; Jordan, Richard F.","Hydrogen Bonding Behavior of Amide-Functionalized α-Diimine Palladium Complexes","Organometallics","2014","33","24","7176","","10.1021/om500978n","","","0.71073","MoKα","","0.0913","0.0614","","","0.1371","0.1464","","","","","","0.988","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084936","10.6721","0.0007","15.7078","0.001","17.5157","0.001","90","","109.248","0.003","90","","2772.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 Cl2 N3 O Pd -","- C27 H37 Cl2 N3 O Pd -","- C108 H148 Cl8 N12 O4 Pd4 -","4","1","","Zhai, Feng; Jordan, Richard F.","Hydrogen Bonding Behavior of Amide-Functionalized α-Diimine Palladium Complexes","Organometallics","2014","33","24","7176","","10.1021/om500978n","","","0.71073","MoKα","","0.0578","0.0408","","","0.0838","0.0931","","","","","","1.092","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084937","13.4747","0.0008","12.2454","0.0007","18.0447","0.0011","90","","91.101","0.002","90","","2976.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H43 N3 O3 Pd -","- C30 H43 N3 O3 Pd -","- C120 H172 N12 O12 Pd4 -","4","1","","Zhai, Feng; Jordan, Richard F.","Hydrogen Bonding Behavior of Amide-Functionalized α-Diimine Palladium Complexes","Organometallics","2014","33","24","7176","","10.1021/om500978n","","","0.71073","MoKα","","0.0409","0.0268","","","0.0557","0.0608","","","","","","1.036","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084938","10.4432","0.0005","13.8723","0.0006","26.0265","0.0009","90","","110.649","0.002","90","","3528.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 F6 N5 O Pd Sb -","- C31 H44 F6 N5 O Pd Sb -","- C124 H176 F24 N20 O4 Pd4 Sb4 -","4","1","","Zhai, Feng; Jordan, Richard F.","Hydrogen Bonding Behavior of Amide-Functionalized α-Diimine Palladium Complexes","Organometallics","2014","33","24","7176","","10.1021/om500978n","","","0.71073","MoKα","","0.0413","0.0291","","","0.0614","0.0662","","","","","","1.049","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084939","11.584","0.004","11.755","0.004","22.355","0.008","75.154","0.006","83.523","0.007","85.602","0.007","2920.1","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H74 Mg O14 P4 S2 -","- C56 H74 Mg O14 P4 S2 -","- C112 H148 Mg2 O28 P8 S4 -","2","1","","Contrella, Nathan D.; Jordan, Richard F.","Lewis Acid Modification and Ethylene Oligomerization Behavior of Palladium Catalysts That Contain a Phosphine-Sulfonate-Diethyl Phosphonate Ancillary Ligand","Organometallics","2014","33","24","7199","","10.1021/om5009988","","","0.71073","MoKα","","0.1683","0.0681","","","0.1119","0.132","","","","","","0.775","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084940","19.6","0.02","10.268","0.011","22.37","0.02","90","","111.246","0.018","90","","4196","7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H51 Cl3.75 N O6 P2 Pd S -","- C37.95 H50.9 Cl3.76 N O6 P2 Pd S -","- C151.8 H203.6 Cl15.04 N4 O24 P8 Pd4 S4 -","4","1","","Contrella, Nathan D.; Jordan, Richard F.","Lewis Acid Modification and Ethylene Oligomerization Behavior of Palladium Catalysts That Contain a Phosphine-Sulfonate-Diethyl Phosphonate Ancillary Ligand","Organometallics","2014","33","24","7199","","10.1021/om5009988","","","0.71073","MoKα","","0.0846","0.0542","","","0.1119","0.1213","","","","","","0.971","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084941","9.123","0.004","12.185","0.006","20.514","0.01","76.281","0.007","83.507","0.007","84.045","0.008","2194.1","1.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H47 Cl6 N O6 P2 Pd S -","- C37 H47 Cl6 N O6 P2 Pd S -","- C74 H94 Cl12 N2 O12 P4 Pd2 S2 -","2","1","","Contrella, Nathan D.; Jordan, Richard F.","Lewis Acid Modification and Ethylene Oligomerization Behavior of Palladium Catalysts That Contain a Phosphine-Sulfonate-Diethyl Phosphonate Ancillary Ligand","Organometallics","2014","33","24","7199","","10.1021/om5009988","","","0.71073","MoKα","","0.1452","0.0633","","","0.1008","0.1169","","","","","","0.759","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084942","23.573","0.004","12.72","0.002","22.353","0.004","90","","112.601","0.002","90","","6187.8","1.8","200","2","200","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C54 H47 B F15 N O6 P2 Pd S -","- C54 H47 B F15 N O6 P2 Pd S -","- C216 H188 B4 F60 N4 O24 P8 Pd4 S4 -","4","1","","Contrella, Nathan D.; Jordan, Richard F.","Lewis Acid Modification and Ethylene Oligomerization Behavior of Palladium Catalysts That Contain a Phosphine-Sulfonate-Diethyl Phosphonate Ancillary Ligand","Organometallics","2014","33","24","7199","","10.1021/om5009988","","","0.71073","Mo-Kα","","0.0898","0.0683","","","0.1535","0.1634","","","","","","1.078","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084943","27.213","0.009","16.984","0.006","20.882","0.007","90","","108.106","0.006","90","","9173","5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H38 Cl Mg0.5 O6 P2 Pd S -","- C29 H38 Cl Mg0.5 O6 P2 Pd S -","- C232 H304 Cl8 Mg4 O48 P16 Pd8 S8 -","8","1","","Contrella, Nathan D.; Jordan, Richard F.","Lewis Acid Modification and Ethylene Oligomerization Behavior of Palladium Catalysts That Contain a Phosphine-Sulfonate-Diethyl Phosphonate Ancillary Ligand","Organometallics","2014","33","24","7199","","10.1021/om5009988","","","0.71073","MoKα","","0.0919","0.054","","","0.1141","0.1211","","","","","","0.835","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084944","11.858","0.005","13.105","0.006","21.732","0.01","88.644","0.008","75.041","0.008","71.388","0.007","3086","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H60 Cl2 Mg O12 P4 Pd2 S2 -","- C50 H60 Cl2 Mg O12 P4 Pd2 S2 -","- C100 H120 Cl4 Mg2 O24 P8 Pd4 S4 -","2","1","","Contrella, Nathan D.; Jordan, Richard F.","Lewis Acid Modification and Ethylene Oligomerization Behavior of Palladium Catalysts That Contain a Phosphine-Sulfonate-Diethyl Phosphonate Ancillary Ligand","Organometallics","2014","33","24","7199","","10.1021/om5009988","","","0.71073","MoKα","","0.0734","0.0514","","","0.1029","0.108","","","","","","0.897","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084955","13.5207","0.0005","21.9509","0.0008","26.8369","0.001","90","","98.143","0.002","90","","7884.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H47 Cl N8 O4 Ti -","- C38.5 H47 Cl N8 O4 Ti -","- C308 H376 Cl8 N64 O32 Ti8 -","8","2","","Su, Ching-Kai; Chuang, Hui-Ju; Li, Chen-Yu; Yu, Chun-Yue; Ko, Bao-Tsan; Chen, Jhy-Der; Chen, Ming-Jen","Oxo-Bridged Bimetallic Group 4 Complexes Bearing Amine-Bis(benzotriazole phenolate) Derivatives as Bifunctional Catalysts for Ring-Opening Polymerization of Lactide and Copolymerization of Carbon Dioxide with Cyclohexene Oxide","Organometallics","2014","33","24","7091","","10.1021/om500784a","","","0.71073","MoKα","","0.0653","0.0532","","","0.1393","0.1451","","","","","","1.008","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084956","22.0223","0.0006","18.0893","0.0005","23.1113","0.0006","90","","112.054","0.002","90","","8533.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H90 Cl12 N16 O7 Ti2 -","- C76 H90 Cl12 N16 O7 Ti2 -","- C304 H360 Cl48 N64 O28 Ti8 -","4","0.5","","Su, Ching-Kai; Chuang, Hui-Ju; Li, Chen-Yu; Yu, Chun-Yue; Ko, Bao-Tsan; Chen, Jhy-Der; Chen, Ming-Jen","Oxo-Bridged Bimetallic Group 4 Complexes Bearing Amine-Bis(benzotriazole phenolate) Derivatives as Bifunctional Catalysts for Ring-Opening Polymerization of Lactide and Copolymerization of Carbon Dioxide with Cyclohexene Oxide","Organometallics","2014","33","24","7091","","10.1021/om500784a","","","0.71073","MoKα","","0.1433","0.0792","","","0.2092","0.2442","","","","","","1.033","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084957","21.333","0.0005","24.6786","0.0005","29.4375","0.0007","90","","90","","90","","15497.9","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C83 H94 N16 O7 Ti2 -","- C83 H94 N16 O7 Ti2 -","- C664 H752 N128 O56 Ti16 -","8","2","","Su, Ching-Kai; Chuang, Hui-Ju; Li, Chen-Yu; Yu, Chun-Yue; Ko, Bao-Tsan; Chen, Jhy-Der; Chen, Ming-Jen","Oxo-Bridged Bimetallic Group 4 Complexes Bearing Amine-Bis(benzotriazole phenolate) Derivatives as Bifunctional Catalysts for Ring-Opening Polymerization of Lactide and Copolymerization of Carbon Dioxide with Cyclohexene Oxide","Organometallics","2014","33","24","7091","","10.1021/om500784a","","","0.71073","MoKα","","0.1264","0.0618","","","0.1104","0.1314","","","","","","1.007","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084958","14.8987","0.0005","29.8415","0.0009","16.9587","0.0005","90","","95.103","0.002","90","","7509.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H86 N16 O7 Zr2 -","- C80 H86 N16 O7 Zr2 -","- C320 H344 N64 O28 Zr8 -","4","1","","Su, Ching-Kai; Chuang, Hui-Ju; Li, Chen-Yu; Yu, Chun-Yue; Ko, Bao-Tsan; Chen, Jhy-Der; Chen, Ming-Jen","Oxo-Bridged Bimetallic Group 4 Complexes Bearing Amine-Bis(benzotriazole phenolate) Derivatives as Bifunctional Catalysts for Ring-Opening Polymerization of Lactide and Copolymerization of Carbon Dioxide with Cyclohexene Oxide","Organometallics","2014","33","24","7091","","10.1021/om500784a","","","0.71073","MoKα","","0.0678","0.042","","","0.0939","0.1051","","","","","","1.014","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084959","14.8986","0.0003","29.8108","0.0007","16.8979","0.0004","90","","95.234","0.001","90","","7473.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H88 Cl2 Hf2 N16 O7 -","- C77 H88 Cl2 Hf2 N16 O7 -","- C308 H352 Cl8 Hf8 N64 O28 -","4","1","","Su, Ching-Kai; Chuang, Hui-Ju; Li, Chen-Yu; Yu, Chun-Yue; Ko, Bao-Tsan; Chen, Jhy-Der; Chen, Ming-Jen","Oxo-Bridged Bimetallic Group 4 Complexes Bearing Amine-Bis(benzotriazole phenolate) Derivatives as Bifunctional Catalysts for Ring-Opening Polymerization of Lactide and Copolymerization of Carbon Dioxide with Cyclohexene Oxide","Organometallics","2014","33","24","7091","","10.1021/om500784a","","","0.71073","MoKα","","0.0417","0.0344","","","0.0817","0.0858","","","","","","1.02","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084960","8.9263","0.0018","17.961","0.004","22.275","0.005","90","","90","","90","","3571.2","1.3","99.99","0.1","99.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Si -","- C24 H18 Si -","- C192 H144 Si8 -","8","2","","Curless, Liam D.; Ingleson, Michael J.","B(C6F5)3-Catalyzed Synthesis of Benzofused-Siloles","Organometallics","2014","33","24","7241","","10.1021/om501033p","","","0.7107","MoKα","","0.0617","0.0393","","0.0897","0.0743","0.0894","","","","","","0.9984","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084961","18.6476","0.001","9.6898","0.0004","19.1479","0.0011","90","","108.925","0.006","90","","3272.8","0.3","150.02","0.1","150.02","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1-diphenyl-2-methyl-1-silaindene","","- C21 H18 Si -","- C21 H18 Si -","- C168 H144 Si8 -","8","2","","Curless, Liam D.; Ingleson, Michael J.","B(C6F5)3-Catalyzed Synthesis of Benzofused-Siloles","Organometallics","2014","33","24","7241","","10.1021/om501033p","","","0.71073","MoKα","","0.103","0.0832","","","0.2103","0.228","","","","","","1.0689","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084962","10.3813","0.0005","10.8049","0.0005","17.3097","0.0009","105.338","0.0014","97.365","0.0017","107.459","0.0016","1740.14","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H55 Co Ru2 Si -","- C36 H55 Co Ru2 Si -","- C72 H110 Co2 Ru4 Si2 -","2","1","","Nagaoka, Masahiro; Shima, Takanori; Takao, Toshiro; Suzuki, Hiroharu","Trinuclear μ3-Silyl Complexes of Ruthenium and Group 9 Metals Having 3c-2e Interactions and Transformation of a μ3-Silyl Complex of Ru2Ir into μ-Silyl and μ3-Silylene Complexes","Organometallics","2014","33","24","7232","","10.1021/om5010308","","","0.71069","MoKα","","0.0424","0.0316","","","0.0692","0.0742","","","","","","1.051","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084963","10.3501","0.0005","10.8439","0.0004","17.4951","0.0007","104.887","0.0014","96.243","0.0017","106.866","0.0017","1780.02","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H55 Ir Ru2 Si -","- C36 H50 Ir Ru2 Si -","- C72 H100 Ir2 Ru4 Si2 -","2","1","","Nagaoka, Masahiro; Shima, Takanori; Takao, Toshiro; Suzuki, Hiroharu","Trinuclear μ3-Silyl Complexes of Ruthenium and Group 9 Metals Having 3c-2e Interactions and Transformation of a μ3-Silyl Complex of Ru2Ir into μ-Silyl and μ3-Silylene Complexes","Organometallics","2014","33","24","7232","","10.1021/om5010308","","","0.71069","MoKα","","0.0396","0.0356","","","0.0872","0.0905","","","","","","1.043","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084964","11.0572","0.0004","21.1799","0.0006","17.6514","0.0005","90","","98.034","0.0011","90","","4093.2","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H64 Ir N Ru2 Si -","- C41 H60 Ir1.0025 N Ru2.0025 Si -","- C164 H240 Ir4.01 N4 Ru8.01 Si4 -","4","1","","Nagaoka, Masahiro; Shima, Takanori; Takao, Toshiro; Suzuki, Hiroharu","Trinuclear μ3-Silyl Complexes of Ruthenium and Group 9 Metals Having 3c-2e Interactions and Transformation of a μ3-Silyl Complex of Ru2Ir into μ-Silyl and μ3-Silylene Complexes","Organometallics","2014","33","24","7232","","10.1021/om5010308","","","0.71069","MoKα","","0.0453","0.0376","","","0.0796","0.083","","","","","","1.046","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084965","11.2222","0.0004","18.454","0.0007","19.4333","0.0006","109.298","0.0012","98.055","0.001","104.264","0.0012","3571.7","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H53 Ir O Ru2 Si -","- C37 H28.5 Ir0.999 O Ru1.999 Si -","- C148 H114 Ir3.996 O4 Ru7.996 Si4 -","4","2","","Nagaoka, Masahiro; Shima, Takanori; Takao, Toshiro; Suzuki, Hiroharu","Trinuclear μ3-Silyl Complexes of Ruthenium and Group 9 Metals Having 3c-2e Interactions and Transformation of a μ3-Silyl Complex of Ru2Ir into μ-Silyl and μ3-Silylene Complexes","Organometallics","2014","33","24","7232","","10.1021/om5010308","","","0.71069","MoKα","","0.0798","0.0525","","","0.1254","0.1433","","","","","","1.046","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084966","28.1598","0.0002","11.3665","0.0005","28.1508","0.0003","90","","104.723","0.005","90","","8714.6","0.4","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C91 H144 B2 N2 P4 Ru2 -","- C91 H144 B2 N2 P4 Ru2 -","- C364 H576 B8 N8 P16 Ru8 -","4","0.5","","Cassen, Audrey; Vendier, Laure; Daran, Jean-Claude; Poblador-Bahamonde, Amalia I.; Clot, Eric; Alcaraz, Gilles; Sabo-Etienne, Sylviane","B‒C Bond Cleavage and Ru‒C Bond Formation from a Phosphinoborane: Synthesis of a Bis-σ Borane Aryl-Ruthenium Complex","Organometallics","2014","33","24","7157","","10.1021/om500972f","","","0.71073","MoKα","","0.0403","0.0331","","","0.0782","0.0825","","","","","","1.029","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084967","42.753","0.01","9.693","0.005","11.144","0.005","90","","100.832","0.005","90","","4536","3","106","2","106","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H31 B N P -","- C25 H31 B N P -","- C200 H248 B8 N8 P8 -","8","1","","Cassen, Audrey; Vendier, Laure; Daran, Jean-Claude; Poblador-Bahamonde, Amalia I.; Clot, Eric; Alcaraz, Gilles; Sabo-Etienne, Sylviane","B‒C Bond Cleavage and Ru‒C Bond Formation from a Phosphinoborane: Synthesis of a Bis-σ Borane Aryl-Ruthenium Complex","Organometallics","2014","33","24","7157","","10.1021/om500972f","","","0.71073","MoKα","","0.0523","0.0405","","","0.0919","0.0992","","","","","","1.026","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084968","11.174","0.004","18.759","0.006","24.545","0.008","90","","95.45","0.005","90","","5122","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H65 N4 Y -","- C58 H65 N4 Y -","- C232 H260 N16 Y4 -","4","1","","Zhang, Yin; Zhang, Jie; Hong, Jianquan; Zhang, Fangjun; Weng, Linhong; Zhou, Xigeng","Versatile Reactivity of β-Diketiminato-Supported Yttrium Dialkyl Complex toward Aromatic N-Heterocycles","Organometallics","2014","33","24","7052","","10.1021/om500500b","","","0.71073","MoKα","","0.2468","0.0901","","","0.1065","0.1382","","","","","","1.002","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084969","11.823","0.006","14.191","0.007","33.492","0.017","100.246","0.008","91.908","0.009","91.588","0.009","5523","5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H65 N4 Y -","- C58 H65 N4 Y -","- C232 H260 N16 Y4 -","4","2","","Zhang, Yin; Zhang, Jie; Hong, Jianquan; Zhang, Fangjun; Weng, Linhong; Zhou, Xigeng","Versatile Reactivity of β-Diketiminato-Supported Yttrium Dialkyl Complex toward Aromatic N-Heterocycles","Organometallics","2014","33","24","7052","","10.1021/om500500b","","","0.71073","MoKα","","0.1907","0.1229","","","0.28","0.3123","","","","","","1.004","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084970","12.0807","0.0017","12.5809","0.0018","19.645","0.003","90.557","0.003","97.413","0.003","114.913","0.002","2678.5","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H76 N3 O2 S Y -","- C58 H76 N3 O2 S Y -","- C116 H152 N6 O4 S2 Y2 -","2","1","","Zhang, Yin; Zhang, Jie; Hong, Jianquan; Zhang, Fangjun; Weng, Linhong; Zhou, Xigeng","Versatile Reactivity of β-Diketiminato-Supported Yttrium Dialkyl Complex toward Aromatic N-Heterocycles","Organometallics","2014","33","24","7052","","10.1021/om500500b","","","0.71073","MoKα","","0.1157","0.0659","","","0.1547","0.1984","","","","","","1.019","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084971","12.547","0.0018","12.808","0.0018","16.237","0.002","99.343","0.002","95.631","0.002","94.906","0.002","2548.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H136 N6 O2 Y2 -","- C114 H136 N6 O2 Y2 -","- C114 H136 N6 O2 Y2 -","1","0.5","","Zhang, Yin; Zhang, Jie; Hong, Jianquan; Zhang, Fangjun; Weng, Linhong; Zhou, Xigeng","Versatile Reactivity of β-Diketiminato-Supported Yttrium Dialkyl Complex toward Aromatic N-Heterocycles","Organometallics","2014","33","24","7052","","10.1021/om500500b","","","0.71073","MoKα","","0.0805","0.0536","","","0.153","0.1764","","","","","","1.003","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084972","23.108","0.003","8.366","0.001","26.211","0.003","90","","90","","90","","5067.2","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H32 N2 O Pd -","- C29 H32 N2 O Pd -","- C232 H256 N16 O8 Pd8 -","8","1","","Pong, Frances Y.; Mandal, Sukhendu; Sen, Ayusman","Steric and Electronic Effects in Ethene/Norbornene Copolymerization by Neutral Salicylaldiminato-Ligated Palladium(II) Catalysts","Organometallics","2014","33","24","7044","","10.1021/om500470t","","","0.71073","MoKα","","0.0388","0.033","","","0.0769","0.0794","","","","","","1.084","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084973","9.3297","0.0014","10.5642","0.0016","14.77","0.002","101.59","0.002","91.832","0.002","104.375","0.002","1376.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 N2 O2 Pd -","- C30 H34 N2 O2 Pd -","- C60 H68 N4 O4 Pd2 -","2","1","","Pong, Frances Y.; Mandal, Sukhendu; Sen, Ayusman","Steric and Electronic Effects in Ethene/Norbornene Copolymerization by Neutral Salicylaldiminato-Ligated Palladium(II) Catalysts","Organometallics","2014","33","24","7044","","10.1021/om500470t","","","0.71073","MoKα","","0.0526","0.0456","","","0.0954","0.0985","","","","","","1.142","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084974","10.188","0.001","15.934","0.002","14.79","0.001","90","","97.96","0.01","90","","2377.8","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 B Cl4 P -","- C25 H20 B Cl4 P -","- C100 H80 B4 Cl16 P4 -","4","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Chęcińska, Lilianna; Beckmann, Jens","Probing Donor‒Acceptor Interactions inperi-Substituted Diphenylphosphinoacenaphthyl‒Element Dichlorides of Group 13 and 15 Elements","Organometallics","2014","33","24","7247","","10.1021/om501036c","","","0.71073","MoKα","","0.056","0.0405","","","0.1015","0.1091","","","","","","1.034","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084975","8.5571","0.0002","9.596","0.0003","14.2689","0.0004","98.927","0.002","97.929","0.002","111.229","0.001","1054.69","0.05","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Al Cl2 P -","- C24 H18 Al Cl2 P -","- C48 H36 Al2 Cl4 P2 -","2","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Chęcińska, Lilianna; Beckmann, Jens","Probing Donor‒Acceptor Interactions inperi-Substituted Diphenylphosphinoacenaphthyl‒Element Dichlorides of Group 13 and 15 Elements","Organometallics","2014","33","24","7247","","10.1021/om501036c","","","0.71073","MoKα","","0.0718","0.0419","","","0.0931","0.1051","","","","","","1.021","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084976","16.825","0.0005","10.6263","0.0003","20.624","0.0007","90","","96.717","0.001","90","","3662","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 Al Cl P2 -","- C48 H36 Al Cl P2 -","- C192 H144 Al4 Cl4 P8 -","4","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Chęcińska, Lilianna; Beckmann, Jens","Probing Donor‒Acceptor Interactions inperi-Substituted Diphenylphosphinoacenaphthyl‒Element Dichlorides of Group 13 and 15 Elements","Organometallics","2014","33","24","7247","","10.1021/om501036c","","","0.71073","MoKα","","0.0536","0.0414","","","0.0908","0.1016","","","","","","1.129","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084977","11.74","0.002","14.237","0.003","19.069","0.004","89.79","0.03","78.96","0.03","86.29","0.03","3121.6","1.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H58 Al Cl4 P3 -","- C74 H58 Al Cl4 P3 -","- C148 H116 Al2 Cl8 P6 -","2","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Chęcińska, Lilianna; Beckmann, Jens","Probing Donor‒Acceptor Interactions inperi-Substituted Diphenylphosphinoacenaphthyl‒Element Dichlorides of Group 13 and 15 Elements","Organometallics","2014","33","24","7247","","10.1021/om501036c","","","0.71073","MoKα","","0.0807","0.0613","","","0.1736","0.1879","","","","","","1.012","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084978","8.585","0.002","9.585","0.002","14.36","0.003","99.31","0.02","97.45","0.02","111.18","0.02","1064.3","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cl2 Ga P -","- C24 H18 Cl2 Ga P -","- C48 H36 Cl4 Ga2 P2 -","2","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Chęcińska, Lilianna; Beckmann, Jens","Probing Donor‒Acceptor Interactions inperi-Substituted Diphenylphosphinoacenaphthyl‒Element Dichlorides of Group 13 and 15 Elements","Organometallics","2014","33","24","7247","","10.1021/om501036c","","","0.71073","MoKα","","0.073","0.0502","","","0.1165","0.1255","","","","","","1.002","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084979","10.3718","0.0004","15.6718","0.0005","13.5877","0.0005","90","","101.9","0.001","90","","2161.14","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl2 In P -","- C24 H18 Cl2 In P -","- C96 H72 Cl8 In4 P4 -","4","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Chęcińska, Lilianna; Beckmann, Jens","Probing Donor‒Acceptor Interactions inperi-Substituted Diphenylphosphinoacenaphthyl‒Element Dichlorides of Group 13 and 15 Elements","Organometallics","2014","33","24","7247","","10.1021/om501036c","","","0.71073","MoKα","","0.0386","0.0262","","","0.0531","0.0581","","","","","","1.094","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084980","11.3829","0.0003","19.2451","0.0006","12.1133","0.0004","90","","94.859","0.001","90","","2644.06","0.14","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl2 P Tl -","- C31 H26 Cl2 P Tl -","- C124 H104 Cl8 P4 Tl4 -","4","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Chęcińska, Lilianna; Beckmann, Jens","Probing Donor‒Acceptor Interactions inperi-Substituted Diphenylphosphinoacenaphthyl‒Element Dichlorides of Group 13 and 15 Elements","Organometallics","2014","33","24","7247","","10.1021/om501036c","","","0.71073","MoKα","","0.0444","0.0367","","","0.0786","0.0818","","","","","","1.104","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084981","10.149","0.002","17.806","0.004","14.673","0.003","90","","102.06","0.03","90","","2593.1","1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Cl4 P2 -","- C25 H20 Cl4 P2 -","- C100 H80 Cl16 P8 -","4","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Chęcińska, Lilianna; Beckmann, Jens","Probing Donor‒Acceptor Interactions inperi-Substituted Diphenylphosphinoacenaphthyl‒Element Dichlorides of Group 13 and 15 Elements","Organometallics","2014","33","24","7247","","10.1021/om501036c","","","0.71073","MoKα","","0.0511","0.0409","","","0.1237","0.1355","","","","","","1.098","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084982","10.0631","0.0014","13.766","0.002","14.613","0.002","90","","91.38","0.004","90","","2023.7","0.5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 As Cl2 P -","- C24 H18 As Cl2 P -","- C96 H72 As4 Cl8 P4 -","4","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Chęcińska, Lilianna; Beckmann, Jens","Probing Donor‒Acceptor Interactions inperi-Substituted Diphenylphosphinoacenaphthyl‒Element Dichlorides of Group 13 and 15 Elements","Organometallics","2014","33","24","7247","","10.1021/om501036c","","","0.71073","MoKα","","0.1132","0.0678","","","0.1399","0.1551","","","","","","1.104","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084983","12.497","0.003","9.194","0.003","19.193","0.004","90","","106.221","0.011","90","","2117.4","1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl2 P Sb -","- C24 H18 Cl2 P Sb -","- C96 H72 Cl8 P4 Sb4 -","4","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Chęcińska, Lilianna; Beckmann, Jens","Probing Donor‒Acceptor Interactions inperi-Substituted Diphenylphosphinoacenaphthyl‒Element Dichlorides of Group 13 and 15 Elements","Organometallics","2014","33","24","7247","","10.1021/om501036c","","","0.71073","MoKα","","0.0359","0.0304","","","0.0706","0.0729","","","","","","1.092","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084984","10.3721","0.0004","11.1934","0.0004","18.9618","0.0007","90","","103.955","0.001","90","","2136.47","0.14","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Bi Cl2 P -","- C24 H18 Bi Cl2 P -","- C96 H72 Bi4 Cl8 P4 -","4","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Chęcińska, Lilianna; Beckmann, Jens","Probing Donor‒Acceptor Interactions inperi-Substituted Diphenylphosphinoacenaphthyl‒Element Dichlorides of Group 13 and 15 Elements","Organometallics","2014","33","24","7247","","10.1021/om501036c","","","0.71073","MoKα","","0.0496","0.0313","","","0.0498","0.0551","","","","","","1.127","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084989","31.555","0.003","9.4599","0.0009","20.025","0.002","90","","109.502","0.002","90","","5634.7","0.9","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H37 B Cl F4 N Pd Si -","- C27.5 H37 B Cl F4 N Pd Si -","- C220 H296 B8 Cl8 F32 N8 Pd8 Si8 -","8","1","","Koller, Stephan G.; Martín-Romo, Raquel; Melero, José S.; Colquhoun, Victoria P.; Schildbach, Daniel; Strohmann, Carsten; Villafañe, Fernando","Structural Consequences of an Extreme Difference between theTransInfluence of the Donor Atoms in a Palladacycle","Organometallics","2014","33","24","7329","","10.1021/om501100y","","","0.71073","MoKα","","0.0511","0.0409","","","0.0992","0.1051","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084990","12.111","0.0017","12.111","0.0017","33.215","0.003","90","","90","","90","","4871.9","1.1","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H29 N Pd Si -","- C24 H29 N Pd Si -","- C192 H232 N8 Pd8 Si8 -","8","1","","Koller, Stephan G.; Martín-Romo, Raquel; Melero, José S.; Colquhoun, Victoria P.; Schildbach, Daniel; Strohmann, Carsten; Villafañe, Fernando","Structural Consequences of an Extreme Difference between theTransInfluence of the Donor Atoms in a Palladacycle","Organometallics","2014","33","24","7329","","10.1021/om501100y","","","0.71073","MoKα","","0.0566","0.048","","","0.1434","0.1535","","","","","","1.092","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084991","11.9477","0.0002","11.9477","0.0002","32.6793","0.001","90","","90","","90","","4664.89","0.18","123","2","123","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H29 N Pd Si -","- C24 H29 N Pd Si -","- C192 H232 N8 Pd8 Si8 -","8","1","","Koller, Stephan G.; Martín-Romo, Raquel; Melero, José S.; Colquhoun, Victoria P.; Schildbach, Daniel; Strohmann, Carsten; Villafañe, Fernando","Structural Consequences of an Extreme Difference between theTransInfluence of the Donor Atoms in a Palladacycle","Organometallics","2014","33","24","7329","","10.1021/om501100y","","","0.71073","MoKα","","0.0247","0.0228","","","0.0612","0.0621","","","","","","1.034","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084992","5.83673","0.00013","13.6727","0.0004","12.0331","0.0004","90","","90","","90","","960.29","0.05","183","2","183","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H9 Na O4 -","- C9 H9 Na O4 -","- C36 H36 Na4 O16 -","4","0.5","","Ursillo, Samer; Can, Daniel; N’Dongo, Harmel W. Peindy; Schmutz, Paul; Spingler, Bernhard; Alberto, Roger","Cyclopentadienyl Chemistry in Water: Synthesis and Properties of Bifunctionalized [(η5-C5H3{COOR}2)M(CO)3] (M = Re and99mTc) Complexes","Organometallics","2014","33","23","6945","","10.1021/om501029e","","","0.7107","MoKα","","0.0457","0.0355","","","0.1002","0.104","","","","","","1.067","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084993","7.5302","0.0002","12.2001","0.0004","24.631","0.0007","90","","92.258","0.003","90","","2261.07","0.12","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 O7 Re -","- C10 H5 O7 Re -","- C80 H40 O56 Re8 -","8","2","","Ursillo, Samer; Can, Daniel; N’Dongo, Harmel W. Peindy; Schmutz, Paul; Spingler, Bernhard; Alberto, Roger","Cyclopentadienyl Chemistry in Water: Synthesis and Properties of Bifunctionalized [(η5-C5H3{COOR}2)M(CO)3] (M = Re and99mTc) Complexes","Organometallics","2014","33","23","6945","","10.1021/om501029e","","","0.7107","MoKα","","0.0398","0.031","","","0.0659","0.0699","","","","","","1.123","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084994","19.9825","0.0015","5.9251","0.0004","21.5944","0.0012","90","","93.703","0.006","90","","2551.4","0.3","183","2","183","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H9 O7 Re -","- C12 H9 O7 Re -","- C96 H72 O56 Re8 -","8","1","","Ursillo, Samer; Can, Daniel; N’Dongo, Harmel W. Peindy; Schmutz, Paul; Spingler, Bernhard; Alberto, Roger","Cyclopentadienyl Chemistry in Water: Synthesis and Properties of Bifunctionalized [(η5-C5H3{COOR}2)M(CO)3] (M = Re and99mTc) Complexes","Organometallics","2014","33","23","6945","","10.1021/om501029e","","","0.7107","MoKα","","0.0551","0.0368","","","0.0837","0.0886","","","","","","1.003","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084995","12.8823","0.0006","10.4707","0.0004","18.445","0.0009","90","","108.525","0.005","90","","2359.1","0.2","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 Na O10 -","- C21 H33 Na O10 -","- C84 H132 Na4 O40 -","4","1","","Ursillo, Samer; Can, Daniel; N’Dongo, Harmel W. Peindy; Schmutz, Paul; Spingler, Bernhard; Alberto, Roger","Cyclopentadienyl Chemistry in Water: Synthesis and Properties of Bifunctionalized [(η5-C5H3{COOR}2)M(CO)3] (M = Re and99mTc) Complexes","Organometallics","2014","33","23","6945","","10.1021/om501029e","","","0.7107","MoKα","","0.0672","0.047","","","0.1121","0.1247","","","","","","1.036","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084996","11.904","0.004","12.745","0.003","13.027","0.003","90.14","0.02","103.78","0.02","110.5","0.02","1789.9","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H35 Cl N O P Pd -","- C42 H31 Cl N O P Pd -","- C84 H62 Cl2 N2 O2 P2 Pd2 -","2","1","","Albert, Joan; Granell, Jaume; Qadir, Romana; Quirante, Josefina; Calvis, Carme; Messeguer, Ramon; Badía, Josefa; Baldomà, Laura; Font-Bardia, Mercè; Calvet, Teresa","Cyclopalladated Benzophenone Imines: Synthesis, Antitumor Activity, Cell Accumulation, DNA Interaction, and Cathepsin B Inhibition","Organometallics","2014","33","24","7284","","10.1021/om501060f","","","0.71073","MoKα","","0.0367","0.0334","","","0.0936","0.0992","","","","","","1.114","","","","has coordinates,has disorder","178738","2020-10-21","18:00:00",""
"4084997","10.635","0.0011","18.7281","0.0017","19.2221","0.0019","90","","98.356","0.003","90","","3787.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 N2 O4 Pd2 -","- C44 H38 N2 O4 Pd2 -","- C176 H152 N8 O16 Pd8 -","4","1","","Albert, Joan; Granell, Jaume; Qadir, Romana; Quirante, Josefina; Calvis, Carme; Messeguer, Ramon; Badía, Josefa; Baldomà, Laura; Font-Bardia, Mercè; Calvet, Teresa","Cyclopalladated Benzophenone Imines: Synthesis, Antitumor Activity, Cell Accumulation, DNA Interaction, and Cathepsin B Inhibition","Organometallics","2014","33","24","7284","","10.1021/om501060f","","","0.71073","MoKα","","0.068","0.0408","","","0.0891","0.103","","","","","","1.076","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084998","23.4878","0.0016","9.5982","0.0006","17.222","0.0011","90","","92.094","0.002","90","","3879.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 N2 O4 Pd2 -","- C46 H42 N2 O4 Pd2 -","- C184 H168 N8 O16 Pd8 -","4","0.5","","Albert, Joan; Granell, Jaume; Qadir, Romana; Quirante, Josefina; Calvis, Carme; Messeguer, Ramon; Badía, Josefa; Baldomà, Laura; Font-Bardia, Mercè; Calvet, Teresa","Cyclopalladated Benzophenone Imines: Synthesis, Antitumor Activity, Cell Accumulation, DNA Interaction, and Cathepsin B Inhibition","Organometallics","2014","33","24","7284","","10.1021/om501060f","","","0.71073","MoKα","","0.0371","0.0355","","","0.0858","0.0866","","","","","","1.301","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084999","10.6835","0.0007","21.5489","0.0015","18.9313","0.001","90","","115.923","0.003","90","","3919.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 N2 O6 Pd2 -","- C44 H42 N2 O6 Pd2 -","- C176 H168 N8 O24 Pd8 -","4","1","","Albert, Joan; Granell, Jaume; Qadir, Romana; Quirante, Josefina; Calvis, Carme; Messeguer, Ramon; Badía, Josefa; Baldomà, Laura; Font-Bardia, Mercè; Calvet, Teresa","Cyclopalladated Benzophenone Imines: Synthesis, Antitumor Activity, Cell Accumulation, DNA Interaction, and Cathepsin B Inhibition","Organometallics","2014","33","24","7284","","10.1021/om501060f","","","0.71073","MoKα","","0.0855","0.0468","","","0.093","0.1076","","","","","","1.026","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4085000","9.9467","0.0004","11.868","0.0004","13.278","0.0005","94.98","0.002","108.466","0.002","91.747","0.002","1478.33","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H29 Cl N P Pd -","- C37 H29 Cl N P Pd -","- C74 H58 Cl2 N2 P2 Pd2 -","2","1","","Albert, Joan; Granell, Jaume; Qadir, Romana; Quirante, Josefina; Calvis, Carme; Messeguer, Ramon; Badía, Josefa; Baldomà, Laura; Font-Bardia, Mercè; Calvet, Teresa","Cyclopalladated Benzophenone Imines: Synthesis, Antitumor Activity, Cell Accumulation, DNA Interaction, and Cathepsin B Inhibition","Organometallics","2014","33","24","7284","","10.1021/om501060f","","","0.71073","MoKα","","0.0366","0.0307","","","0.0882","0.0958","","","","","","1.071","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085001","9.7531","0.0011","9.9649","0.0011","19.14","0.002","85.023","0.004","77.874","0.004","61.344","0.004","1595.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H35 Cl N O P Pd -","- C39 H35 Cl N O P Pd -","- C78 H70 Cl2 N2 O2 P2 Pd2 -","2","1","","Albert, Joan; Granell, Jaume; Qadir, Romana; Quirante, Josefina; Calvis, Carme; Messeguer, Ramon; Badía, Josefa; Baldomà, Laura; Font-Bardia, Mercè; Calvet, Teresa","Cyclopalladated Benzophenone Imines: Synthesis, Antitumor Activity, Cell Accumulation, DNA Interaction, and Cathepsin B Inhibition","Organometallics","2014","33","24","7284","","10.1021/om501060f","","","0.71073","MoKα","","0.064","0.0455","","","0.0833","0.0885","","","","","","1.001","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085002","7.1579","0.0006","16.0676","0.0012","20.6457","0.0016","90","","90","","90","","2374.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N O P -","- C26 H36 N O P -","- C104 H144 N4 O4 P4 -","4","1","","Serin, Spencer C.; Patrick, Brian O.; Dake, Gregory R.; Gates, Derek P.","Reaction of an Enantiomerically Pure Phosphaalkene-Oxazoline with MeM Nucleophiles (M = Li and MgBr): Stereoselectivity and Noninnocence of the P-Mesityl Substituent","Organometallics","2014","","","141201152116001","","10.1021/om501008m","","","0.71073","MoKα","","0.0402","0.0342","","","0.0842","0.0884","","","","","","1.021","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085003","20.139","0.002","20.139","0.002","13.7756","0.0013","90","","90","","120","","4838.6","0.8","90","","90","","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C52 H72 Cl4 N2 O2 P2 Pd2 -","- C52 H72 Cl4 N2 O2 P2 Pd2 -","- C156 H216 Cl12 N6 O6 P6 Pd6 -","3","0.5","","Serin, Spencer C.; Patrick, Brian O.; Dake, Gregory R.; Gates, Derek P.","Reaction of an Enantiomerically Pure Phosphaalkene-Oxazoline with MeM Nucleophiles (M = Li and MgBr): Stereoselectivity and Noninnocence of the P-Mesityl Substituent","Organometallics","2014","","","141201152116001","","10.1021/om501008m","","x-ray","0.71073","MoKα","","0.0371","0.0291","","","0.0615","0.0652","","","","","","1.051","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085004","9.246","0.003","15.111","0.005","9.629","0.003","90","","95.114","0.006","90","","1340","0.7","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H36 Cl2 N O P Pd -","- C26 H36 Cl2 N O P Pd -","- C52 H72 Cl4 N2 O2 P2 Pd2 -","2","1","","Serin, Spencer C.; Patrick, Brian O.; Dake, Gregory R.; Gates, Derek P.","Reaction of an Enantiomerically Pure Phosphaalkene-Oxazoline with MeM Nucleophiles (M = Li and MgBr): Stereoselectivity and Noninnocence of the P-Mesityl Substituent","Organometallics","2014","","","141201152116001","","10.1021/om501008m","","x-ray","0.71069","MoKα","","0.0579","0.0458","","","0.106","0.1134","","","","","","1.123","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085005","9.9103","0.0019","12.603","0.003","12.636","0.003","90","","102.368","0.004","90","","1541.6","0.6","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H38 Cl4 N O P Pd -","- C27 H38 Cl4 N O P Pd -","- C54 H76 Cl8 N2 O2 P2 Pd2 -","2","1","","Serin, Spencer C.; Patrick, Brian O.; Dake, Gregory R.; Gates, Derek P.","Reaction of an Enantiomerically Pure Phosphaalkene-Oxazoline with MeM Nucleophiles (M = Li and MgBr): Stereoselectivity and Noninnocence of the P-Mesityl Substituent","Organometallics","2014","","","141201152116001","","10.1021/om501008m","","x-ray","0.71073","MoKα","","0.0748","0.0632","","","0.1473","0.1624","","","","","","1.18","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085006","8.205","0.003","38.515","0.016","8.431","0.004","90","","100.324","0.005","90","","2621.2","1.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H29 Br Cl N2 O3 Re -","- C25.5 H29 Br Cl N2 O3 Re -","- C102 H116 Br4 Cl4 N8 O12 Re4 -","4","1","","Vollmer, Matthew V.; Machan, Charles W.; Clark, Melissa L.; Antholine, William E.; Agarwal, Jay; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Walensky, Justin R.","Synthesis, Spectroscopy, and Electrochemistry of (α-Diimine)M(CO)3Br, M = Mn, Re, Complexes: Ligands Isoelectronic to Bipyridyl Show Differences in CO2 Reduction.","Organometallics","2014","34","1","3","12","10.1021/om500838z","","","0.71073","MoKα","","0.0418","0.0336","","","0.0692","0.073","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085007","8.4089","0.0009","10.42","0.0011","14.368","0.002","101.578","0.001","101.608","0.001","107.949","0.001","1125.6","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H14 Br F6 N2 O3 Re -","- C21 H14 Br F6 N2 O3 Re -","- C42 H28 Br2 F12 N4 O6 Re2 -","2","1","","Vollmer, Matthew V.; Machan, Charles W.; Clark, Melissa L.; Antholine, William E.; Agarwal, Jay; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Walensky, Justin R.","Synthesis, Spectroscopy, and Electrochemistry of (α-Diimine)M(CO)3Br, M = Mn, Re, Complexes: Ligands Isoelectronic to Bipyridyl Show Differences in CO2 Reduction.","Organometallics","2014","34","1","3","12","10.1021/om500838z","","","0.71073","MoKα","","0.0138","0.0131","","","0.0329","0.0331","","","","","","1.073","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085008","10.1468","0.0015","16.477","0.002","11.297","0.0017","90","","102.176","0.001","90","","1846.2","0.4","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C34 H45 Br Cl2 N3 O3 Re -","- C34 H45 Br Cl2 N3 O3 Re -","- C68 H90 Br2 Cl4 N6 O6 Re2 -","2","0.5","","Vollmer, Matthew V.; Machan, Charles W.; Clark, Melissa L.; Antholine, William E.; Agarwal, Jay; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Walensky, Justin R.","Synthesis, Spectroscopy, and Electrochemistry of (α-Diimine)M(CO)3Br, M = Mn, Re, Complexes: Ligands Isoelectronic to Bipyridyl Show Differences in CO2 Reduction.","Organometallics","2014","34","1","3","12","10.1021/om500838z","","","0.71073","MoKα","","0.0177","0.0164","","","0.0408","0.0414","","","","","","1.038","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085009","11.805","0.004","10.482","0.003","21.688","0.007","90","","102.942","0.005","90","","2615.5","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N3 O3 Re -","- C27 H31 N3 O3 Re -","- C108 H124 N12 O12 Re4 -","4","1","","Vollmer, Matthew V.; Machan, Charles W.; Clark, Melissa L.; Antholine, William E.; Agarwal, Jay; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Walensky, Justin R.","Synthesis, Spectroscopy, and Electrochemistry of (α-Diimine)M(CO)3Br, M = Mn, Re, Complexes: Ligands Isoelectronic to Bipyridyl Show Differences in CO2 Reduction.","Organometallics","2014","34","1","3","12","10.1021/om500838z","","","0.71073","MoKα","","0.1126","0.0497","","","0.0784","0.095","","","","","","0.965","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085010","16.915","0.003","12.037","0.002","21.356","0.004","90","","105.133","0.002","90","","4197.4","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Br3 N2 O3 Re -","- C19 H14 Br3 N2 O3 Re -","- C152 H112 Br24 N16 O24 Re8 -","8","2","","Vollmer, Matthew V.; Machan, Charles W.; Clark, Melissa L.; Antholine, William E.; Agarwal, Jay; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Walensky, Justin R.","Synthesis, Spectroscopy, and Electrochemistry of (α-Diimine)M(CO)3Br, M = Mn, Re, Complexes: Ligands Isoelectronic to Bipyridyl Show Differences in CO2 Reduction.","Organometallics","2014","34","1","3","12","10.1021/om500838z","","","0.71073","MoKα","","0.0677","0.0366","","","0.0747","0.0867","","","","","","1.02","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085011","16.846","0.002","11.9339","0.0014","21.263","0.003","90","","104.707","0.001","90","","4134.6","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Br3 Mn N2 O3 -","- C19 H14 Br3 Mn N2 O3 -","- C152 H112 Br24 Mn8 N16 O24 -","8","2","","Vollmer, Matthew V.; Machan, Charles W.; Clark, Melissa L.; Antholine, William E.; Agarwal, Jay; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Walensky, Justin R.","Synthesis, Spectroscopy, and Electrochemistry of (α-Diimine)M(CO)3Br, M = Mn, Re, Complexes: Ligands Isoelectronic to Bipyridyl Show Differences in CO2 Reduction.","Organometallics","2014","34","1","3","12","10.1021/om500838z","","","0.71073","MoKα","","0.0539","0.03","","","0.0584","0.0644","","","","","","0.996","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085012","11.7363","0.0004","15.4011","0.0006","12.7722","0.0005","90","","104.995","0.002","90","","2229.99","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 Br F6 Mn N2 O3 -","- C21 H14 Br F6 Mn N2 O3 -","- C84 H56 Br4 F24 Mn4 N8 O12 -","4","1","","Vollmer, Matthew V.; Machan, Charles W.; Clark, Melissa L.; Antholine, William E.; Agarwal, Jay; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Walensky, Justin R.","Synthesis, Spectroscopy, and Electrochemistry of (α-Diimine)M(CO)3Br, M = Mn, Re, Complexes: Ligands Isoelectronic to Bipyridyl Show Differences in CO2 Reduction.","Organometallics","2014","34","1","3","12","10.1021/om500838z","","","0.71073","MoKα","","0.042","0.0304","","","0.075","0.0795","","","","","","1.059","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085013","8.23","0.003","38.539","0.013","8.318","0.003","90","","100.353","0.004","90","","2595.3","1.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H29 Br Cl Mn N2 O3 -","- C25.5 H29 Br Cl Mn N2 O3 -","- C102 H116 Br4 Cl4 Mn4 N8 O12 -","4","1","","Vollmer, Matthew V.; Machan, Charles W.; Clark, Melissa L.; Antholine, William E.; Agarwal, Jay; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Walensky, Justin R.","Synthesis, Spectroscopy, and Electrochemistry of (α-Diimine)M(CO)3Br, M = Mn, Re, Complexes: Ligands Isoelectronic to Bipyridyl Show Differences in CO2 Reduction.","Organometallics","2014","34","1","3","12","10.1021/om500838z","","","0.71073","MoKα","","0.0657","0.0489","","","0.1263","0.1354","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4085014","18.305","0.005","18.305","0.005","19.061","0.005","90","","90","","90","","6387","3","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C33 H43 N3 O3 Re -","- C33 H43 N3 O3 Re -","- C264 H344 N24 O24 Re8 -","8","1","","Vollmer, Matthew V.; Machan, Charles W.; Clark, Melissa L.; Antholine, William E.; Agarwal, Jay; Schaefer, 3rd, Henry F; Kubiak, Clifford P.; Walensky, Justin R.","Synthesis, Spectroscopy, and Electrochemistry of (α-Diimine)M(CO)3Br, M = Mn, Re, Complexes: Ligands Isoelectronic to Bipyridyl Show Differences in CO2 Reduction.","Organometallics","2014","34","1","3","12","10.1021/om500838z","","","0.71073","MoKα","","0.0317","0.0241","","","0.0459","0.0484","","","","","","1.035","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085015","9.36415","0.00007","11.51241","0.00008","16.74418","0.00012","90","","92.3218","0.0007","90","","1803.61","0.02","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C32 H52 Lu N3 S Si2 -","- C32 H52 Lu N3 S Si2 -","- C64 H104 Lu2 N6 S2 Si4 -","2","1","","Luconi, Lapo; Lyubov, Dmitrii M.; Rossin, Andrea; Glukhova, Tatyana A.; Cherkasov, Anton V.; Tuci, Giulia; Fukin, Georgy K.; Trifonov, Alexander A.; Giambastiani, Giuliano","Organolanthanide Complexes Supported by Thiazole-Containing Amidopyridinate Ligands: Synthesis, Characterization, and Catalytic Activity in Isoprene Polymerization","Organometallics","2014","33","24","7125","","10.1021/om500918y","","","0.71073","MoKα","","0.0202","0.0184","","","0.0394","0.0398","","","","","","1.021","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085016","9.38846","0.00017","11.5607","0.0003","16.7385","0.0003","90","","92.0783","0.0017","90","","1815.55","0.07","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C32 H52 Er N3 S Si2 -","- C32 H52 Er N3 S Si2 -","- C64 H104 Er2 N6 S2 Si4 -","2","1","","Luconi, Lapo; Lyubov, Dmitrii M.; Rossin, Andrea; Glukhova, Tatyana A.; Cherkasov, Anton V.; Tuci, Giulia; Fukin, Georgy K.; Trifonov, Alexander A.; Giambastiani, Giuliano","Organolanthanide Complexes Supported by Thiazole-Containing Amidopyridinate Ligands: Synthesis, Characterization, and Catalytic Activity in Isoprene Polymerization","Organometallics","2014","33","24","7125","","10.1021/om500918y","","","0.71073","MoKα","","0.0183","0.0174","","","0.0399","0.0402","","","","","","1.02","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085017","9.36372","0.00012","11.5421","0.00014","16.75309","0.00018","90","","92.1653","0.0011","90","","1809.33","0.04","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C32 H52 N3 S Si2 Yb -","- C32 H52 N3 S Si2 Yb -","- C64 H104 N6 S2 Si4 Yb2 -","2","1","","Luconi, Lapo; Lyubov, Dmitrii M.; Rossin, Andrea; Glukhova, Tatyana A.; Cherkasov, Anton V.; Tuci, Giulia; Fukin, Georgy K.; Trifonov, Alexander A.; Giambastiani, Giuliano","Organolanthanide Complexes Supported by Thiazole-Containing Amidopyridinate Ligands: Synthesis, Characterization, and Catalytic Activity in Isoprene Polymerization","Organometallics","2014","33","24","7125","","10.1021/om500918y","","","0.71073","MoKα","","0.0242","0.0214","","","0.0421","0.0429","","","","","","1.033","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085021","18.3471","0.0007","9.368","0.0004","26.8254","0.001","90","","91.694","0.001","90","","4608.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 F Ir N4 O -","- C54 H40 F Ir N4 O -","- C216 H160 F4 Ir4 N16 O4 -","4","1","","Li, Bao Zhu; Qian, Ying Ying; Liu, Jianwen; Chan, Kin Shing","Consecutive Aromatic Carbon‒Fluorine Bond and Carbon‒Hydrogen Bond Activations by Iridium Porphyrins","Organometallics","2014","33","24","7059","","10.1021/om5005594","","","0.71073","MoKα","","0.0531","0.042","","","0.107","0.1112","","","","","","1.097","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085022","12.5015","0.0003","8.31079","0.00016","19.7907","0.0005","90","","104.244","0.002","90","","1992.99","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,7-dimethoxyfluorenyl-pentamethylcyclopentadienylcobalt(II)","","- C25 H28 Co O2 -","- C25 H28 Co O2 -","- C100 H112 Co4 O8 -","4","1","","Bugenhagen, Bernhard E. C.; Brinn, Lisa; Prosenc, Marc H.","Syntheses, Structures, and Properties of Substituted Co(C5Me5)(2,7-di(OCH3)fluorenido Co(II) and Co(III) Complexes","Organometallics","2014","33","24","7015","","10.1021/om500928w","","","0.7107","MoKα","","0.0533","0.0394","","","0.0941","0.104","","","","","","1.045","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085023","9.8337","0.0002","19.9117","0.0005","11.9202","0.0003","90","","103.727","0.002","90","","2267.38","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 B Co F4 O2 -","- C25 H28 B Co F4 O2 -","- C100 H112 B4 Co4 F16 O8 -","4","1","","Bugenhagen, Bernhard E. C.; Brinn, Lisa; Prosenc, Marc H.","Syntheses, Structures, and Properties of Substituted Co(C5Me5)(2,7-di(OCH3)fluorenido Co(II) and Co(III) Complexes","Organometallics","2014","33","24","7015","","10.1021/om500928w","","","0.7107","MoKα","","0.0892","0.0582","","","0.138","0.1572","","","","","","1.018","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085024","13.0228","0.0006","8.2073","0.0004","14.847","0.0007","90","","111.593","0.002","90","","1475.51","0.12","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 S Zr -","- C17 H18 S Zr -","- C68 H72 S4 Zr4 -","4","1","","Hu, Yimu; Romero, Nuria; Dinoi, Chiara; Vendier, Laure; Mallet-Ladeira, Sonia; McGrady, John E.; Locati, Abel; Maseras, Feliu; Etienne, Michel","β-H Abstraction/1,3-CH Bond Addition as a Mechanism for the Activation of CH Bonds at Early Transition Metal Centers","Organometallics","2014","33","24","7270","","10.1021/om501056b","","","0.71073","MoKα","","0.0384","0.0289","","","0.0688","0.0738","","","","","","1.035","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085025","23.4826","0.0006","23.4826","0.0006","13.0911","0.0004","90","","90","","120","","6251.7","0.3","180","2","180","2","","","","","","","synthesis as described","3","P -3","-P 3","147","","","","- C16 H20 Zr -","- C16 H20 Zr -","- C288 H360 Zr18 -","18","3","","Hu, Yimu; Romero, Nuria; Dinoi, Chiara; Vendier, Laure; Mallet-Ladeira, Sonia; McGrady, John E.; Locati, Abel; Maseras, Feliu; Etienne, Michel","β-H Abstraction/1,3-CH Bond Addition as a Mechanism for the Activation of CH Bonds at Early Transition Metal Centers","Organometallics","2014","33","24","7270","","10.1021/om501056b","","x-ray","0.71073","MoKα","","0.0283","0.0254","","","0.065","0.0678","","","","","","1.066","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085026","9.7961","0.0004","18.6744","0.0007","39.6955","0.0015","90","","90.5218","0.0017","90","","7261.4","0.5","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H66 Cl N3 Zr -","- C36 H66 Cl N3 Zr -","- C288 H528 Cl8 N24 Zr8 -","8","2","","Adler, Christian; Tomaschun, Gabriele; Schmidtmann, Marc; Beckhaus, Rüdiger","Remarkably Robust Mono-n-butyl Group IV Dicyclohexylamido Complexes {(Cy)2N}3M(n-butyl) (Cy: cyclohexyl [C6H11], M: Ti, Zr)","Organometallics","2014","33","24","7011","","10.1021/om5008105","","","0.71073","MoKα","","0.0343","0.0314","","","0.0706","0.0717","","","","","","1.079","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085027","9.8677","0.0002","18.6254","0.0004","39.7773","0.001","90","","90.3881","0.001","90","","7310.5","0.3","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C37 H69 N3 Zr -","- C37 H69 N3 Zr -","- C296 H552 N24 Zr8 -","8","2","","Adler, Christian; Tomaschun, Gabriele; Schmidtmann, Marc; Beckhaus, Rüdiger","Remarkably Robust Mono-n-butyl Group IV Dicyclohexylamido Complexes {(Cy)2N}3M(n-butyl) (Cy: cyclohexyl [C6H11], M: Ti, Zr)","Organometallics","2014","33","24","7011","","10.1021/om5008105","","","0.71073","MoKα","","0.0348","0.0316","","","0.0699","0.071","","","","","","1.106","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085028","10.7593","0.0004","13.683","0.0006","26.5889","0.0011","90","","92.211","0.002","90","","3911.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H75 N3 Zr -","- C40 H75 N3 Zr -","- C160 H300 N12 Zr4 -","4","1","","Adler, Christian; Tomaschun, Gabriele; Schmidtmann, Marc; Beckhaus, Rüdiger","Remarkably Robust Mono-n-butyl Group IV Dicyclohexylamido Complexes {(Cy)2N}3M(n-butyl) (Cy: cyclohexyl [C6H11], M: Ti, Zr)","Organometallics","2014","33","24","7011","","10.1021/om5008105","","","0.71073","MoKα","","0.0414","0.0291","","","0.0715","0.0779","","","","","","1.02","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085029","9.8387","0.0004","12.0199","0.0006","16.7476","0.0008","87.27","0.002","80.16","0.0018","77.4648","0.0019","1904.81","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H75 N3 Ti -","- C40 H75 N3 Ti -","- C80 H150 N6 Ti2 -","2","1","","Adler, Christian; Tomaschun, Gabriele; Schmidtmann, Marc; Beckhaus, Rüdiger","Remarkably Robust Mono-n-butyl Group IV Dicyclohexylamido Complexes {(Cy)2N}3M(n-butyl) (Cy: cyclohexyl [C6H11], M: Ti, Zr)","Organometallics","2014","33","24","7011","","10.1021/om5008105","","","0.71073","MoKα","","0.0696","0.0465","","","0.1097","0.1214","","","","","","1.028","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085042","17.798","0.008","11.405","0.005","19.086","0.009","90","","116.796","0.005","90","","3458","3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 Br2 N2 Ni -","- C43 H32 Br2 N2 Ni -","- C172 H128 Br8 N8 Ni4 -","4","1","","Wen, Chunyan; Yuan, Shifang; Shi, Qisong; Yue, Erlin; Liu, Diansheng; Sun, Wen-Hua","Tailoring Polyethylenes by Nickel Complexes Bearing Modified 1-(2-Benzhydrylnaphthylimino)-2-phenyliminoacenaphthylene Derivatives","Organometallics","2014","33","24","7223","","10.1021/om5010226","","","0.71073","MoKα","","","0.0516","","","0.1455","0.1494","","","","","","1.042","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085043","10.922","0.002","13.776","0.003","16.11","0.003","66.65","0.03","73.31","0.03","81.27","0.03","2129.7","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H76 Br4 N4 Ni2 O4 -","- C88 H76 Br4 N4 Ni2 O4 -","- C88 H76 Br4 N4 Ni2 O4 -","1","0.5","","Wen, Chunyan; Yuan, Shifang; Shi, Qisong; Yue, Erlin; Liu, Diansheng; Sun, Wen-Hua","Tailoring Polyethylenes by Nickel Complexes Bearing Modified 1-(2-Benzhydrylnaphthylimino)-2-phenyliminoacenaphthylene Derivatives","Organometallics","2014","33","24","7223","","10.1021/om5010226","","","0.71073","MoKα","","","0.0643","","","0.1994","0.2078","","","","","","1.09","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085044","14.707","0.0003","16.7439","0.0004","15.6675","0.0003","90","","90","","90","","3858.16","0.14","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H55 Al Cl N2 Rh -","- C40 H55 Al Cl N2 Rh -","- C160 H220 Al4 Cl4 N8 Rh4 -","4","0.5","","Ekkert, Olga; Strudley, Sebastian D. A.; Rozenfeld, Alisa; White, Andrew J. P.; Crimmin, Mark R.","Rhodium Catalyzed, Carbon‒Hydrogen Bond Directed Hydrodefluorination of Fluoroarenes","Organometallics","2014","33","24","7027","","10.1021/om501113j","","","0.71073","MoKα","","0.0498","0.037","","","0.0885","0.0982","","","","","","1.079","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085466","8.918","0.003","16.352","0.004","25.482","0.007","90","","96.008","0.011","90","","3695.6","1.8","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N7 O3 -","- C20 H19 N7 O3 -","- C160 H152 N56 O24 -","8","1","","Noor, Asif; Huff, Gregory S.; Kumar, Sreedhar V.; Lewis, James E. M.; Paterson, Brett M.; Schieber, Christine; Donnelly, Paul S.; Brooks, Heather J. L.; Gordon, Keith C.; Moratti, Stephen C.; Crowley, James D.","[Re(CO)3]+Complexes ofexo-Functionalized Tridentate “Click” Macrocycles: Synthesis, Stability, Photophysical Properties, Bioconjugation, and Antibacterial Activity","Organometallics","2014","33","24","7031","","10.1021/om500664v","","","0.71073","MoKα","","0.0873","0.0725","","","0.1684","0.18","","","","","","1.144","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085467","9.5826","0.0017","11.031","0.002","13.594","0.003","66.484","0.011","76.119","0.011","70.788","0.011","1234.4","0.4","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 Br N7 O6 Re -","- C23 H19 Br N7 O6 Re -","- C46 H38 Br2 N14 O12 Re2 -","2","1","","Noor, Asif; Huff, Gregory S.; Kumar, Sreedhar V.; Lewis, James E. M.; Paterson, Brett M.; Schieber, Christine; Donnelly, Paul S.; Brooks, Heather J. L.; Gordon, Keith C.; Moratti, Stephen C.; Crowley, James D.","[Re(CO)3]+Complexes ofexo-Functionalized Tridentate “Click” Macrocycles: Synthesis, Stability, Photophysical Properties, Bioconjugation, and Antibacterial Activity","Organometallics","2014","33","24","7031","","10.1021/om500664v","","","0.71073","MoKα","","0.0996","0.0633","","","0.1573","0.1866","","","","","","1.07","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085468","10.4722","0.0004","16.0868","0.0008","23.1434","0.0007","93.303","0.003","90.356","0.003","108.644","0.004","3686.8","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 Br N10 O7 Re -","- C29 H26 Br N10 O7 Re -","- C116 H104 Br4 N40 O28 Re4 -","4","2","","Noor, Asif; Huff, Gregory S.; Kumar, Sreedhar V.; Lewis, James E. M.; Paterson, Brett M.; Schieber, Christine; Donnelly, Paul S.; Brooks, Heather J. L.; Gordon, Keith C.; Moratti, Stephen C.; Crowley, James D.","[Re(CO)3]+Complexes ofexo-Functionalized Tridentate “Click” Macrocycles: Synthesis, Stability, Photophysical Properties, Bioconjugation, and Antibacterial Activity","Organometallics","2014","33","24","7031","","10.1021/om500664v","","","0.71073","MoKα","","0.0772","0.0572","","","0.1491","0.1598","","","","","","1.043","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4086342","11.3723","0.0014","14.7572","0.0019","18.146","0.002","84.35","0.002","75.826","0.002","89.237","0.002","2938.1","0.6","163","2","163","2","","","","","","","","6","P -1","-P 1","2","PNP(iPr)Y(H)2Ru(C5Me5)PPh2(C6H4)","","","- C54 H71 N P3 Ru Y -","- C54 H71 N P3 Ru Y -","- C108 H142 N2 P6 Ru2 Y2 -","2","1","","O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin","PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands","Organometallics","2014","33","4","1030","1043","10.1021/om401216v","","","0.71073","MoKα","","0.0562","0.0444","","","0.1133","0.1189","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086343","11.337","0.002","14.764","0.003","18.072","0.004","84.277","0.003","75.917","0.003","89.122","0.003","2919.2","1","163","2","163","2","","","","","","","","6","P -1","-P 1","2","PNP(iPr)Ho(H)2Ru(C5Me5)PPh2(C6H4)","","","- C54 H71 Ho N P3 Ru -","- C54 H71 Ho N P3 Ru -","- C108 H142 Ho2 N2 P6 Ru2 -","2","1","","O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin","PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands","Organometallics","2014","33","4","1030","1043","10.1021/om401216v","","","0.71073","MoKα","","0.0416","0.0344","","","0.0772","0.0791","","","","","","0.948","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086344","11.3473","0.0016","14.823","0.002","18.079","0.003","84.405","0.002","75.847","0.002","89.082","0.002","2934.5","0.8","163","2","163","2","","","","","","","","6","P -1","-P 1","2","PNP(iPr)Dy(H)2Ru(C5Me5)PPh2(C6H4)","","","- C54 H71 Dy N P3 Ru -","- C54 H71 Dy N P3 Ru -","- C108 H142 Dy2 N2 P6 Ru2 -","2","1","","O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin","PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands","Organometallics","2014","33","4","1030","1043","10.1021/om401216v","","","0.71073","MoKα","","0.039","0.0352","","","0.0922","0.094","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086345","12.4863","0.0008","13.1993","0.0008","18.0937","0.0012","99.594","0.001","102.911","0.001","113.615","0.001","2551.3","0.3","163","2","163","2","","","","","","","","6","P -1","-P 1","2","PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2)","","","- C52 H76 N P3 Ru Y -","- C52 H76 N P3 Ru Y -","- C104 H152 N2 P6 Ru2 Y2 -","2","1","","O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin","PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands","Organometallics","2014","33","4","1030","1043","10.1021/om401216v","","","0.71073","MoKα","","0.0544","0.0376","","","0.0704","0.0735","","","","","","0.874","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086346","12.525","0.002","13.197","0.002","18.157","0.003","99.566","0.003","102.976","0.002","113.597","0.002","2567.5","0.7","163","2","163","2","","","","","","","","6","P -1","-P 1","2","PNP(iPr)Ho(H)2Ru(C5Me5)PPh2(CH2)","","","- C52 H76 Ho N P3 Ru -","- C52 H76 Ho N P3 Ru -","- C104 H152 Ho2 N2 P6 Ru2 -","2","1","","O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin","PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands","Organometallics","2014","33","4","1030","1043","10.1021/om401216v","","","0.71073","MoKα","","0.0378","0.0324","","","0.0764","0.0783","","","","","","0.976","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086347","12.5336","0.0008","13.2381","0.0008","18.2036","0.0012","99.641","0.003","102.993","0.002","113.592","0.002","2582.5","0.3","163","2","163","2","","","","","","","","6","P -1","-P 1","2","PNP(iPr)Dy(H)2Ru(C5Me5)PPh2(CH2)","","","- C52 H76 Dy N P3 Ru -","- C52 H76 Dy N P3 Ru -","- C104 H152 Dy2 N2 P6 Ru2 -","2","1","","O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin","PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands","Organometallics","2014","33","4","1030","1043","10.1021/om401216v","","","0.71073","MoKα","","0.0514","0.0378","","","0.0862","0.0914","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086348","12.013","0.0007","13.0591","0.0008","18.1664","0.0011","89.331","0.002","76.634","0.002","87.023","0.002","2769","0.3","163","2","163","2","","","","","","","","7","P -1","-P 1","2","PNP(iPr)Y(H)Ru(C5Me5)(CH2)(PPh2C6H4HCO)","","","- C55 H71 N O P3 Ru Y -","- C55 H71 N O P3 Ru Y -","- C110 H142 N2 O2 P6 Ru2 Y2 -","2","1","","O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin","PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands","Organometallics","2014","33","4","1030","1043","10.1021/om401216v","","","0.71073","MoKα","","0.046","0.0377","","","0.0843","0.0873","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086349","13.366","0.002","13.892","0.002","15.558","0.002","86.276","0.005","79.828","0.006","85.762","0.006","2831.7","0.7","163","2","163","2","","","","","","","","6","P -1","-P 1","2","PNP(iPr)Y(tBuCN)(H)2Ru(C5Me5)PPh2(C6H4)","","","- C59 H80 N2 P3 Ru Y -","- C59 H80 N2 P3 Ru Y -","- C118 H160 N4 P6 Ru2 Y2 -","2","1","","O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin","PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands","Organometallics","2014","33","4","1030","1043","10.1021/om401216v","","","0.71073","MoKα","","0.0424","0.0325","","","0.08","0.0843","","","","","","1.103","","","","has coordinates,has disorder","170612","2020-10-21","18:00:00",""
"4086350","16.3604","0.0011","20.4007","0.0014","20.7574","0.0014","91.061","0.003","110.192","0.002","93.133","0.003","6487.4","0.8","163","2","163","2","","","","","","","","6","P -1","-P 1","2","PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2tBuCN)","","","- C54 H78 N2 P3 Ru Y -","- C54 H78 N2 P3 Ru Y -","- C216 H312 N8 P12 Ru4 Y4 -","4","2","","O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin","PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands","Organometallics","2014","33","4","1030","1043","10.1021/om401216v","","","0.71073","MoKα","","0.0587","0.0391","","","0.0879","0.0933","","","","","","1.022","","","","has coordinates,has disorder","170612","2020-10-21","18:00:00",""
"4086351","11.8932","0.0016","11.9199","0.0015","20.255","0.003","86.46","0.009","76.49","0.008","69.598","0.008","2616.3","0.6","163","2","163","2","","","","","","","","6","P -1","-P 1","2","PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2CHCPhNH)","","","- C56 H74 N2 P3 Ru Y -","- C56 H74 N2 P3 Ru Y -","- C112 H148 N4 P6 Ru2 Y2 -","2","1","","O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin","PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands","Organometallics","2014","33","4","1030","1043","10.1021/om401216v","","","0.71073","MoKα","","0.0694","0.0425","","","0.0943","0.1034","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086352","14.8425","0.001","17.5448","0.0011","23.6853","0.0016","90","","104.871","0.003","90","","5961.3","0.7","163","2","163","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2CHPhCNCH3)(C4H10O)","","","- C61 H88 N2 O P3 Ru Y -","- C61 H88 N2 O P3 Ru Y -","- C244 H352 N8 O4 P12 Ru4 Y4 -","4","1","","O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin","PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands","Organometallics","2014","33","4","1030","1043","10.1021/om401216v","","","0.71073","MoKα","","0.0587","0.0361","","","0.072","0.079","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086353","12.5301","0.0012","14.5762","0.0015","15.3222","0.0014","94.799","0.005","95.935","0.004","99.34","0.005","2732.1","0.5","163","2","163","2","","","","","","","","6","P -1","-P 1","2","PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2tBuNC)","","","- C54 H78 N2 P3 Ru Y -","- C54 H78 N2 P3 Ru Y -","- C108 H156 N4 P6 Ru2 Y2 -","2","1","","O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin","PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands","Organometallics","2014","33","4","1030","1043","10.1021/om401216v","","","0.71073","MoKα","","0.1496","0.0641","","","0.117","0.1449","","","","","","1.02","","","","has coordinates","170612","2020-10-21","18:00:00",""
"4086354","14.402","0.0011","14.352","0.0011","29.6397","0.0019","90","","90.978","0.003","90","","6125.6","0.8","163","2","163","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2CO)Rh(C5Me5)CO","","","- C61 H84 N O2 P3 Rh Ru Y -","- C61 H84 N O2 P3 Rh Ru Y -","- C244 H336 N4 O8 P12 Rh4 Ru4 Y4 -","4","1","","O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin","PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands","Organometallics","2014","33","4","1030","1043","10.1021/om401216v","","","0.71073","MoKα","","0.0541","0.0358","","","0.082","0.0888","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086355","14.248","0.003","14.371","0.002","29.847","0.006","90","","90","","90","","6111","2","163","2","163","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2CO)Co(C5Me5)CO","","","- C61 H83 Co N O2 P3 Ru Y -","- C61 H83 Co N O2 P3 Ru Y -","- C244 H332 Co4 N4 O8 P12 Ru4 Y4 -","4","1","","O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin","PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands","Organometallics","2014","33","4","1030","1043","10.1021/om401216v","","","0.71073","MoKα","","0.0719","0.0468","","","0.1105","0.1178","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4089628","9.289","0.003","10.074","0.0012","13.019","0.004","90","","98.11","0.04","90","","1206.1","0.6","198","","198","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N O -","- C5 H9 N O -","- C40 H72 N8 O8 -","8","2","","Tronnier, Alexander; Poethig, Alexander; Herdtweck, Eberhardt; Strassner, Thomas","C∧C* Cyclometalated Platinum(II) NHC Complexes with β-Ketoimine Ligands","Organometallics","2014","33","4","898","","10.1021/om401023f","","x-ray","0.71073","MoKα","","0.0905","0.0569","","","0.1499","0.17","","","","","","1.435","","","","has coordinates","243711","2020-10-21","18:00:00",""
"4089629","9.8639","0.0001","8.6409","0.0001","19.7464","0.0002","90","","90","","90","","1683.04","0.03","193","1","193","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H11 N O -","- C10 H11 N O -","- C80 H88 N8 O8 -","8","1","","Tronnier, Alexander; Poethig, Alexander; Herdtweck, Eberhardt; Strassner, Thomas","C∧C* Cyclometalated Platinum(II) NHC Complexes with β-Ketoimine Ligands","Organometallics","2014","33","4","898","","10.1021/om401023f","","","0.71073","MoKα","","0.0329","0.0298","","","0.0784","0.0819","","","","","","1.048","","","","has coordinates","243711","2020-10-21","18:00:00",""
"4089630","8.1914","0.0003","12.5374","0.0004","15.5274","0.0005","90","","102.277","0.0013","90","","1558.18","0.09","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N3 O Pt -","- C15 H16 Cl N3 O Pt -","- C60 H64 Cl4 N12 O4 Pt4 -","4","1","","Tronnier, Alexander; Poethig, Alexander; Herdtweck, Eberhardt; Strassner, Thomas","C∧C* Cyclometalated Platinum(II) NHC Complexes with β-Ketoimine Ligands","Organometallics","2014","33","4","898","","10.1021/om401023f","","","0.71073","MoKα","","0.0142","0.0138","","","0.034","0.0342","","","","","","1.212","","","","has coordinates","243711","2020-10-21","18:00:00",""
"4089631","12.404","0.003","13.057","0.003","12.406","0.002","90","","111.18","0.03","90","","1873.5","0.8","173","","173","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Br Cl2 N3 O Pt -","- C16 H18 Br Cl2 N3 O Pt -","- C64 H72 Br4 Cl8 N12 O4 Pt4 -","4","1","","Tronnier, Alexander; Poethig, Alexander; Herdtweck, Eberhardt; Strassner, Thomas","C∧C* Cyclometalated Platinum(II) NHC Complexes with β-Ketoimine Ligands","Organometallics","2014","33","4","898","","10.1021/om401023f","","x-ray","0.71073","MoKα","","0.0416","0.0244","","","0.0417","0.0451","","","","","","1.039","","","","has coordinates","243711","2020-10-21","18:00:00",""
"4089632","7.354","0.003","12.096","0.005","16.531","0.007","90","","96.349","0.004","90","","1461.5","1.1","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br N3 O Pt -","- C15 H16 Br N3 O Pt -","- C60 H64 Br4 N12 O4 Pt4 -","4","1","","Tronnier, Alexander; Poethig, Alexander; Herdtweck, Eberhardt; Strassner, Thomas","C∧C* Cyclometalated Platinum(II) NHC Complexes with β-Ketoimine Ligands","Organometallics","2014","33","4","898","","10.1021/om401023f","","","0.71073","MoKα","","0.0381","0.0308","","","0.0746","0.0791","","","","","","1.07","","","","has coordinates","243711","2020-10-21","18:00:00",""
"4089633","20.224","0.002","7.661","0.001","21.538","0.004","90","","112.523","0.01","90","","3082.5","0.8","198","","198","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N4 O3 Pt -","- C15 H16 N4 O3 Pt -","- C120 H128 N32 O24 Pt8 -","8","2","","Tronnier, Alexander; Poethig, Alexander; Herdtweck, Eberhardt; Strassner, Thomas","C∧C* Cyclometalated Platinum(II) NHC Complexes with β-Ketoimine Ligands","Organometallics","2014","33","4","898","","10.1021/om401023f","","x-ray","0.71073","MoKα","","0.0731","0.0345","","","0.0755","0.105","","","","","","1.173","","","","has coordinates","243711","2020-10-21","18:00:00",""
"4089634","11.374","0.003","7.16","0.0008","19.297","0.002","90","","95.414","0.015","90","","1564.5","0.5","198","","198","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N3 O2 Pt -","- C16 H19 N3 O2 Pt -","- C64 H76 N12 O8 Pt4 -","4","1","","Tronnier, Alexander; Poethig, Alexander; Herdtweck, Eberhardt; Strassner, Thomas","C∧C* Cyclometalated Platinum(II) NHC Complexes with β-Ketoimine Ligands","Organometallics","2014","33","4","898","","10.1021/om401023f","","x-ray","0.71073","MoKα","","0.0299","0.0205","","","0.0611","0.0665","","","","","","1.041","","","","has coordinates","243711","2020-10-21","18:00:00",""
"4089635","7.068","0.0004","29.236","0.0017","9.337","0.0004","90","","103.324","0.004","90","","1877.46","0.18","198","","198","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N3 O2 Pt -","- C21 H21 N3 O2 Pt -","- C84 H84 N12 O8 Pt4 -","4","2","","Tronnier, Alexander; Poethig, Alexander; Herdtweck, Eberhardt; Strassner, Thomas","C∧C* Cyclometalated Platinum(II) NHC Complexes with β-Ketoimine Ligands","Organometallics","2014","33","4","898","","10.1021/om401023f","","x-ray","0.71073","MoKα","","0.0457","0.0318","","","0.0534","0.0554","","","","","","1.021","","","","has coordinates","243711","2020-10-21","18:00:00",""
"4089636","22.93","0.0014","8.727","0.002","19.189","0.004","90","","102.453","0.011","90","","3749.6","1.2","198","","198","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O2 Pt -","- C21 H21 N3 O2 Pt -","- C168 H168 N24 O16 Pt8 -","8","2","","Tronnier, Alexander; Poethig, Alexander; Herdtweck, Eberhardt; Strassner, Thomas","C∧C* Cyclometalated Platinum(II) NHC Complexes with β-Ketoimine Ligands","Organometallics","2014","33","4","898","","10.1021/om401023f","","x-ray","0.71073","MoKα","","0.0443","0.0217","","","0.0347","0.0409","","","","","","1.124","","","","has coordinates","243711","2020-10-21","18:00:00",""
"4089653","14.6083","0.0003","18.2307","0.0004","28.3089","0.0005","99.6629","0.0016","91.5109","0.0016","107.281","0.0019","7073.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C65.5 H61 B Cl F24 N6 O6 Rh -","- C65.5 H61 B Cl F24 N6 O6 Rh -","- C262 H244 B4 Cl4 F96 N24 O24 Rh4 -","4","2","","Chaplin, Adrian B.","Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Isolation of a Stable Low-Coordinate T-Shaped Complex","Organometallics","2014","33","3","624","","10.1021/om401223w","","","0.71073","MoKα","","0.0683","0.0507","","","0.1213","0.1307","","","","","","1.029","","","","has coordinates,has disorder","243714","2020-10-21","18:00:00",""
"4089654","13.1514","0.0004","13.475","0.0004","21.9169","0.0007","105.287","0.003","101.319","0.003","93.354","0.002","3648.7","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H59 B F24 N6 O7 Rh -","- C66 H59 B F24 N6 O7 Rh -","- C132 H118 B2 F48 N12 O14 Rh2 -","2","1","","Chaplin, Adrian B.","Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Isolation of a Stable Low-Coordinate T-Shaped Complex","Organometallics","2014","33","3","624","","10.1021/om401223w","","","0.7107","MoKα","","0.0854","0.0639","","","0.143","0.1537","","","","","","1.058","","","","has coordinates,has disorder","243714","2020-10-21","18:00:00",""
"4089655","7.4375","0.0002","9.1704","0.0003","13.3918","0.0004","104.096","0.0011","90.4828","0.0011","94.3415","0.0011","883","0.05","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H36 O18 Ru4 -","- C28 H36 O18 Ru4 -","- C28 H36 O18 Ru4 -","1","0.5","","Zimmermann, Teresa K.; Ziriakus, Jennifer; Herdtweck, Eberhardt; Pöthig, Alexander; Kühn, Fritz E.","[Ru4(CO)8(μ-OOCCH2CH3)4(THF)2] and [Ru3(μ3-OH)(CO)6(μ-OOCtBu)4(OOCtBu)]: Novel Multinuclear Ruthenium Carbonyl Carboxylates","Organometallics","2014","33","10","2667","","10.1021/om500184x","","","0.71073","MoKα","","0.0165","0.0162","","","0.0399","0.0401","","","","","","1.166","","","","has coordinates","243715","2020-10-21","18:00:00",""
"4089656","20.3039","0.0006","11.3972","0.0003","17.9031","0.0005","90","","100.533","0.0011","90","","4073.1","0.2","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 O17 Ru3 -","- C31 H46 O17 Ru3 -","- C124 H184 O68 Ru12 -","4","1","","Zimmermann, Teresa K.; Ziriakus, Jennifer; Herdtweck, Eberhardt; Pöthig, Alexander; Kühn, Fritz E.","[Ru4(CO)8(μ-OOCCH2CH3)4(THF)2] and [Ru3(μ3-OH)(CO)6(μ-OOCtBu)4(OOCtBu)]: Novel Multinuclear Ruthenium Carbonyl Carboxylates","Organometallics","2014","33","10","2667","","10.1021/om500184x","","","0.71073","MoKα","","0.0164","0.0152","","","0.0368","0.0374","","","","","","1.069","","","","has coordinates","243715","2020-10-21","18:00:00",""
"4089657","10.60751","0.00016","16.42","0.0003","20.2981","0.0004","70.9975","0.0015","79.908","0.0014","84.7055","0.0013","3288.69","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H49 Cl N4 O4 Rh -","- C33 H49 Cl N4 O4 Rh -","- C132 H196 Cl4 N16 O16 Rh4 -","4","2","","Chaplin, Adrian B.","Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Preparation of Mono-, Bis-, and Tris-ligated NHC Complexes","Organometallics","2014","33","12","3069","","10.1021/om500332n","","","0.7107","MoKα","","0.0419","0.0335","","","0.0781","0.0826","","","","","","1.037","","","","has coordinates,has disorder","243716","2020-10-21","18:00:00",""
"4089658","11.5989","0.0004","17.8176","0.0007","16.7145","0.0006","90","","100.135","0.004","90","","3400.4","0.2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C33 H48 Cl N6 O6 Rh -","- C33 H48 Cl N6 O6 Rh -","- C132 H192 Cl4 N24 O24 Rh4 -","4","2","","Chaplin, Adrian B.","Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Preparation of Mono-, Bis-, and Tris-ligated NHC Complexes","Organometallics","2014","33","12","3069","","10.1021/om500332n","","","0.7107","MoKα","","0.0583","0.0432","","","0.0817","0.0855","","","","","","1.095","","","","has coordinates","243716","2020-10-21","18:00:00",""
"4089659","25.3855","0.0016","9.5589","0.0006","12.9231","0.0008","90","","95.332","0.006","90","","3122.3","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Cl N2 O4 Rh -","- C13 H16 Cl N2 O4 Rh -","- C104 H128 Cl8 N16 O32 Rh8 -","8","1","","Chaplin, Adrian B.","Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Preparation of Mono-, Bis-, and Tris-ligated NHC Complexes","Organometallics","2014","33","12","3069","","10.1021/om500332n","","","0.7107","MoKα","","0.0315","0.0232","","","0.0518","0.056","","","","","","1.043","","","","has coordinates","243716","2020-10-21","18:00:00",""
"4089660","8.867","0.0004","17.2094","0.0006","23.0269","0.0008","90","","90","","90","","3513.8","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl N2 O2 Rh -","- C18 H24 Cl N2 O2 Rh -","- C144 H192 Cl8 N16 O16 Rh8 -","8","1","","Chaplin, Adrian B.","Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Preparation of Mono-, Bis-, and Tris-ligated NHC Complexes","Organometallics","2014","33","12","3069","","10.1021/om500332n","","","0.7107","MoKα","","0.0679","0.0543","","","0.135","0.1419","","","","","","1.104","","","","has coordinates","243716","2020-10-21","18:00:00",""
"4089661","10.23498","0.00017","11.4086","0.0002","10.78784","0.00018","90","","99.6132","0.0016","90","","1241.97","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 Cl N4 O5 Rh -","- C23 H32 Cl N4 O5 Rh -","- C46 H64 Cl2 N8 O10 Rh2 -","2","0.5","","Chaplin, Adrian B.","Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Preparation of Mono-, Bis-, and Tris-ligated NHC Complexes","Organometallics","2014","33","12","3069","","10.1021/om500332n","","","0.7107","MoKα","","0.0375","0.0294","","","0.065","0.0686","","","","","","1.13","","","","has coordinates,has disorder","243716","2020-10-21","18:00:00",""
"4089663","20.5167","0.0003","17.3701","0.0003","34.4197","0.0005","90","","97.967","0.0014","90","","12148","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 B F24 N4 O6 Rh -","- C56 H44 B F24 N4 O6 Rh -","- C448 H352 B8 F192 N32 O48 Rh8 -","8","1","","Chaplin, Adrian B.","Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Preparation of Mono-, Bis-, and Tris-ligated NHC Complexes","Organometallics","2014","33","12","3069","","10.1021/om500332n","","","0.7107","MoKα","","0.0449","0.0386","","","0.0795","0.0821","","","","","","1.045","","","","has coordinates,has disorder","243716","2020-10-21","18:00:00",""
"4089664","14.6801","0.0013","18.2999","0.0015","27.6389","0.0016","73.72","0.006","86.852","0.006","69.397","0.008","6663.6","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H60 B F25 N4 O4 Rh -","- C65 H60 B F25 N4 O4 Rh -","- C260 H240 B4 F100 N16 O16 Rh4 -","4","2","","Chaplin, Adrian B.","Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Preparation of Mono-, Bis-, and Tris-ligated NHC Complexes","Organometallics","2014","33","12","3069","","10.1021/om500332n","","","1.5418","CuKα","","0.1967","0.0952","","","0.2108","0.2811","","","","","","0.993","","","","has coordinates,has disorder","243716","2020-10-21","18:00:00",""
"4089665","16.4704","0.001","22.8734","0.0005","16.2804","0.0004","90","","90","","90","","6133.4","0.4","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C61 H52 B F24 N4 O4 Rh -","- C61 H52 B F24 N4 O4 Rh -","- C244 H208 B4 F96 N16 O16 Rh4 -","4","0.5","","Chaplin, Adrian B.","Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Preparation of Mono-, Bis-, and Tris-ligated NHC Complexes","Organometallics","2014","33","12","3069","","10.1021/om500332n","","","0.7107","MoKα","","0.0463","0.0382","","","0.0838","0.0876","","","","","","1.069","","","","has coordinates,has disorder","243716","2020-10-21","18:00:00",""
"4089666","10.18863","0.00019","11.35819","0.00019","10.8548","0.0002","90","","99.6169","0.0018","90","","1238.51","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl2 N4 O4 Rh -","- C22 H32 Cl2 N4 O4 Rh -","- C44 H64 Cl4 N8 O8 Rh2 -","2","0.5","","Chaplin, Adrian B.","Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Preparation of Mono-, Bis-, and Tris-ligated NHC Complexes","Organometallics","2014","33","12","3069","","10.1021/om500332n","","","0.7107","MoKα","","0.0212","0.0198","","","0.0488","0.0494","","","","","","1.124","","","","has coordinates","243716","2020-10-21","18:00:00",""
"4089667","10.1","0.002","21.15","0.004","17.18","0.003","90","","101.11","0.03","90","","3601.1","1.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H47 Cl2 N O3 Zr -","- C39 H47 Cl2 N O3 Zr -","- C156 H188 Cl8 N4 O12 Zr4 -","4","1","","Radlauer, Madalyn R.; Agapie, Theodor","Bimetallic Zirconium Amine Bis(phenolate) Polymerization Catalysts: Enhanced Activity and Tacticity Control for Polyolefin Synthesis.","Organometallics","2014","33","13","3247","3250","10.1021/om500608j","","x-ray","0.95369","synchrotron","","0.0353","0.0328","","","0.0737","0.0747","","","","","","1.112","","","","has coordinates","243717","2020-10-21","18:00:00",""
"4089668","16.9447","0.0008","19.0668","0.001","29.553","0.0017","90","","90","","90","","9548","0.9","373","2","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C107 H118 Cl4 N2 O6 Zr2 -","- C107 H118 Cl4 N2 O6 Zr2 -","- C428 H472 Cl16 N8 O24 Zr8 -","4","1","","Radlauer, Madalyn R.; Agapie, Theodor","Bimetallic Zirconium Amine Bis(phenolate) Polymerization Catalysts: Enhanced Activity and Tacticity Control for Polyolefin Synthesis.","Organometallics","2014","33","13","3247","3250","10.1021/om500608j","","","0.71073","MoKα","","0.1326","0.0757","","","0.1896","0.2082","","","","","","1.044","","","","has coordinates,has disorder","243717","2020-10-21","18:00:00",""
"4089669","9.6061","0.0004","29.2804","0.0013","17.7516","0.0008","90","","105.509","0.0017","90","","4811.2","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H100 N2 O6 Zr2 -","- C84 H100 N2 O6 Zr2 -","- C168 H200 N4 O12 Zr4 -","2","1","","Radlauer, Madalyn R.; Agapie, Theodor","Bimetallic Zirconium Amine Bis(phenolate) Polymerization Catalysts: Enhanced Activity and Tacticity Control for Polyolefin Synthesis.","Organometallics","2014","33","13","3247","3250","10.1021/om500608j","","","0.71073","MoKα","","0.0823","0.0502","","","0.0879","0.0955","","","","","","0.987","","","","has coordinates","243717","2020-10-21","18:00:00",""
"4089670","15.1035","0.0015","25.847","0.003","26.584","0.003","90","","90","","90","","10378","2","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C115 H138 Cl4 N4 O4 Zr2 -","- C115 H138 Cl4 N4 O4 Zr2 -","- C460 H552 Cl16 N16 O16 Zr8 -","4","0.5","","Radlauer, Madalyn R.; Agapie, Theodor","Bimetallic Zirconium Amine Bis(phenolate) Polymerization Catalysts: Enhanced Activity and Tacticity Control for Polyolefin Synthesis.","Organometallics","2014","33","13","3247","3250","10.1021/om500608j","","","0.71073","MoKα","","0.1762","0.0839","","","0.1805","0.2182","","","","","","1.098","","","","has coordinates,has disorder","243717","2020-10-21","18:00:00",""
"4089671","22.967","0.001","28.073","0.002","16.298","0.001","90","","90","","90","","10508.2","1.1","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C72 H84 Ag6 B6 F24 N24 -","- C72 H84 Ag6 N24 -","- C288 H336 Ag24 N96 -","4","0.25","","Segarra, Candela; Guisado-Barrios, Gregorio; Hahn, F. Ekkehardt; Peris, Eduardo","Hexanuclear Cylinder-Shaped Assemblies of Silver and Gold from Benzene‒Hexa-N-heterocyclic Carbenes","Organometallics","2014","33","19","5077","","10.1021/om500729b","","","0.71073","MoKα","","0.1117","0.0871","","","0.276","0.3086","","","","","","1.052","","","","has coordinates","243718","2020-10-21","18:00:00",""
"4089672","7.9127","0.0003","8.8284","0.0004","12.3548","0.0006","94.676","0.002","91.954","0.002","103.62","0.002","834.73","0.06","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Br2 N2 Pd -","- C17 H16 Br2 N2 Pd -","- C34 H32 Br4 N4 Pd2 -","2","1","","Jandl, Christian; Öfele, Karl; Kühn, Fritz E.; Herrmann, Wolfgang A.; Pöthig, Alexander","Structure and Dynamics of Imidazolium- and Pyridinium-Substituted η3-Cycloheptatrienide-Pd Complexes","Organometallics","2014","33","22","6398","","10.1021/om500738d","","x-ray","0.71073","MoKα","","0.0583","0.0312","","","0.0465","0.0514","","","","","","1.026","","","","has coordinates","243719","2020-10-21","18:00:00",""
"4089673","7.8373","0.0005","16.9842","0.0011","9.8714","0.0006","90","","106.419","0.003","90","","1260.4","0.14","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Br2 N2 Pd -","- C11 H12 Br2 N2 Pd -","- C44 H48 Br8 N8 Pd4 -","4","1","","Jandl, Christian; Öfele, Karl; Kühn, Fritz E.; Herrmann, Wolfgang A.; Pöthig, Alexander","Structure and Dynamics of Imidazolium- and Pyridinium-Substituted η3-Cycloheptatrienide-Pd Complexes","Organometallics","2014","33","22","6398","","10.1021/om500738d","","x-ray","0.71073","MoKα","","0.0423","0.0269","","","0.0561","0.0608","","","","","","1.071","","","","has coordinates","243719","2020-10-21","18:00:00",""
"4089674","17.8668","0.0006","8.3337","0.0003","25.7429","0.0009","90","","96.105","0.002","90","","3811.3","0.2","123","","123","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Br2 N2 O0.5 Pd -","- C19 H21 Br2 N2 O0.5 Pd -","- C152 H168 Br16 N16 O4 Pd8 -","8","1","","Jandl, Christian; Öfele, Karl; Kühn, Fritz E.; Herrmann, Wolfgang A.; Pöthig, Alexander","Structure and Dynamics of Imidazolium- and Pyridinium-Substituted η3-Cycloheptatrienide-Pd Complexes","Organometallics","2014","33","22","6398","","10.1021/om500738d","","x-ray","0.71073","MoKα","","0.0462","0.0281","","","0.0507","0.0538","","","","","","0.923","","","","has coordinates","271475","2021-12-16","11:44:43",""
"4089675","9.0744","0.0007","10.1205","0.0009","13.4336","0.0012","110.013","0.004","104.303","0.004","97.451","0.004","1091.74","0.17","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Br2 N3 Pd -","- C21 H23 Br2 N3 Pd -","- C42 H46 Br4 N6 Pd2 -","2","1","","Jandl, Christian; Öfele, Karl; Kühn, Fritz E.; Herrmann, Wolfgang A.; Pöthig, Alexander","Structure and Dynamics of Imidazolium- and Pyridinium-Substituted η3-Cycloheptatrienide-Pd Complexes","Organometallics","2014","33","22","6398","","10.1021/om500738d","","x-ray","0.71073","MoKα","","0.0693","0.0421","","","0.0889","0.0984","","","","","","1.053","","","","has coordinates","243719","2020-10-21","18:00:00",""
"4089676","9.0983","0.0004","10.1476","0.0004","13.396","0.0005","106.268","0.003","102.414","0.002","99.185","0.002","1127.19","0.08","123","","123","","","","","","","","see text","7","P -1","-P 1","2","","","","- C21 H26 Br2 N2 O Pd S -","- C21 H26 Br2 N2 O Pd S -","- C42 H52 Br4 N4 O2 Pd2 S2 -","2","1","","Jandl, Christian; Öfele, Karl; Kühn, Fritz E.; Herrmann, Wolfgang A.; Pöthig, Alexander","Structure and Dynamics of Imidazolium- and Pyridinium-Substituted η3-Cycloheptatrienide-Pd Complexes","Organometallics","2014","33","22","6398","","10.1021/om500738d","","x-ray","0.71073","MoKα","","0.0598","0.0404","","","0.1011","0.1129","","","","","","0.997","","","","has coordinates","243719","2020-10-21","18:00:00",""
"4089677","30.1144","0.0011","8.9858","0.0003","17.5151","0.0007","90","","110.849","0.002","90","","4429.3","0.3","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 Br2 N2 Pd -","- C22 H26 Br2 N2 Pd -","- C176 H208 Br16 N16 Pd8 -","8","1","","Jandl, Christian; Öfele, Karl; Kühn, Fritz E.; Herrmann, Wolfgang A.; Pöthig, Alexander","Structure and Dynamics of Imidazolium- and Pyridinium-Substituted η3-Cycloheptatrienide-Pd Complexes","Organometallics","2014","33","22","6398","","10.1021/om500738d","","x-ray","0.71073","MoKα","","0.0337","0.0258","","","0.0559","0.0588","","","","","","1.02","","","","has coordinates","243719","2020-10-21","18:00:00",""
"4089678","10.1352","0.0002","13.7164","0.0003","11.3789","0.0002","90","","112.211","0.001","90","","1464.5","0.05","123","","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Br2 N Pd -","- C14 H15 Br2 N Pd -","- C56 H60 Br8 N4 Pd4 -","4","1","","Jandl, Christian; Öfele, Karl; Kühn, Fritz E.; Herrmann, Wolfgang A.; Pöthig, Alexander","Structure and Dynamics of Imidazolium- and Pyridinium-Substituted η3-Cycloheptatrienide-Pd Complexes","Organometallics","2014","33","22","6398","","10.1021/om500738d","","x-ray","0.71073","MoKα","","0.0175","0.0143","","","0.0309","0.0317","","","","","","1.043","","","","has coordinates","243719","2020-10-21","18:00:00",""
"4089679","10.9536","0.0006","11.5043","0.0006","12.0166","0.0007","90","","113.635","0.003","90","","1387.24","0.14","123","","123","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 B2 Br2 F8 N4 Pd2 -","- C22 H24 B2 Br2 F8 N4 Pd2 -","- C44 H48 B4 Br4 F16 N8 Pd4 -","2","0.5","","Jandl, Christian; Öfele, Karl; Kühn, Fritz E.; Herrmann, Wolfgang A.; Pöthig, Alexander","Structure and Dynamics of Imidazolium- and Pyridinium-Substituted η3-Cycloheptatrienide-Pd Complexes","Organometallics","2014","33","22","6398","","10.1021/om500738d","","x-ray","0.71073","MoKα","","0.022","0.019","","","0.0374","0.0382","","","","","","1.114","","","","has coordinates,has disorder","243719","2020-10-21","18:00:00",""
"4089680","27.2805","0.0006","7.3988","0.0002","18.4856","0.0004","90","","103.034","0.001","90","","3635.06","0.15","123","","123","","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 B2 Br2 F8 N4 Pd2 -","- C32 H36 B2 Br2 F8 N4 Pd2 -","- C128 H144 B8 Br8 F32 N16 Pd8 -","4","0.5","","Jandl, Christian; Öfele, Karl; Kühn, Fritz E.; Herrmann, Wolfgang A.; Pöthig, Alexander","Structure and Dynamics of Imidazolium- and Pyridinium-Substituted η3-Cycloheptatrienide-Pd Complexes","Organometallics","2014","33","22","6398","","10.1021/om500738d","","x-ray","0.71073","MoKα","","0.0194","0.0164","","","0.0383","0.0394","","","","","","1.058","","","","has coordinates","243719","2020-10-21","18:00:00",""
"4089681","12.2733","0.0005","13.1929","0.0005","18.2941","0.0008","85.154","0.002","75.726","0.002","62.928","0.002","2554.89","0.19","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H55 Cl N2 P Ta -","- C50 H55 Cl N2 P Ta -","- C100 H110 Cl2 N4 P2 Ta2 -","2","1","","Parker, Kyle D. J.; Fryzuk, Michael D.","Carbon‒Carbon Bond Forming Reactions with Tantalum Diamidophosphine Complexes That Incorporate Alkyne Ligands","Organometallics","2014","33","21","6122","","10.1021/om500775c","","","0.71073","MoKα","","0.024","0.0218","","","0.057","0.0578","","","","","","1.035","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4089682","12.175","0.005","20.58","0.005","18.273","0.005","90","0.005","108.045","0.005","90","0.005","4353","2","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H57 Cl N2 P Si2 Ta -","- C46 H57 Cl N2 P Si2 Ta -","- C184 H228 Cl4 N8 P4 Si8 Ta4 -","4","1","","Parker, Kyle D. J.; Fryzuk, Michael D.","Carbon‒Carbon Bond Forming Reactions with Tantalum Diamidophosphine Complexes That Incorporate Alkyne Ligands","Organometallics","2014","33","21","6122","","10.1021/om500775c","","","0.71069","MoKα","","0.0283","0.0246","","","0.0608","0.0632","","","","","","1.046","","","","has coordinates","243720","2020-10-21","18:00:00",""
"4089683","11.1759","0.0004","33.5707","0.0011","12.7008","0.0004","90","","99.101","0.001","90","","4705.1","0.3","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H56 N2 P Ta -","- C52 H56 N2 P Ta -","- C208 H224 N8 P4 Ta4 -","4","1","","Parker, Kyle D. J.; Fryzuk, Michael D.","Carbon‒Carbon Bond Forming Reactions with Tantalum Diamidophosphine Complexes That Incorporate Alkyne Ligands","Organometallics","2014","33","21","6122","","10.1021/om500775c","","","0.71073","MoKα","","0.0419","0.0281","","","0.0575","0.0604","","","","","","1.031","","","","has coordinates","243720","2020-10-21","18:00:00",""
"4089684","9.038","0.005","11.789","0.005","17.915","0.005","79.96","0.005","87.07","0.005","84.776","0.005","1870.6","1.4","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 N2 P Ta -","- C44 H50 N2 P Ta -","- C88 H100 N4 P2 Ta2 -","2","1","","Parker, Kyle D. J.; Fryzuk, Michael D.","Carbon‒Carbon Bond Forming Reactions with Tantalum Diamidophosphine Complexes That Incorporate Alkyne Ligands","Organometallics","2014","33","21","6122","","10.1021/om500775c","","","0.71073","MoKα","","0.0246","0.0222","","","0.0582","0.0597","","","","","","1.098","","","","has coordinates","243720","2020-10-21","18:00:00",""
"4089685","19.722","0.005","21.12","0.005","22.644","0.005","113.594","0.005","97.971","0.005","112.323","0.005","7511","3","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H67 N3 P Si2 Ta -","- C55 H67 N3 P Si2 Ta -","- C330 H402 N18 P6 Si12 Ta6 -","6","3","","Parker, Kyle D. J.; Fryzuk, Michael D.","Carbon‒Carbon Bond Forming Reactions with Tantalum Diamidophosphine Complexes That Incorporate Alkyne Ligands","Organometallics","2014","33","21","6122","","10.1021/om500775c","","","0.71069","MoKα","","0.0328","0.0268","","","0.0652","0.0684","","","","","","1.037","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4089686","10.8406","0.0003","7.6269","0.0002","14.2269","0.0004","90","","108.998","0.001","90","","1112.21","0.05","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Chlorido(methyl 4-oxido-2-ethyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide)(6-p-cymene)ruthenium(II)","","- C22 H26 Cl N O5 Ru S -","- C22 H26 Cl N O5 Ru S -","- C44 H52 Cl2 N2 O10 Ru2 S2 -","2","1","","Aman, Farhana; Hanif, Muhammad; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Filak, Lukas K.; Reynisson, Jóhannes; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G.","Anticancer Ruthenium(η6-p-cymene) Complexes of Nonsteroidal Anti-inflammatory Drug Derivatives","Organometallics","2014","33","19","5546","","10.1021/om500825h","","","0.71073","MoKα","","0.0241","0.0233","","","0.0556","0.0564","","","","","","1.03","","","","has coordinates","243721","2020-10-21","18:00:00",""
"4089687","8.2286","0.0003","14.3712","0.0004","19.2286","0.0006","90","","98.372","0.002","90","","2249.64","0.13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorido(methyl Chlorido(methyl 4-oxido-2-n-propyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide)(6-p-cymene)ruthenium(II)","","- C23 H28 Cl N O5 Ru S -","- C23 H28 Cl N O5 Ru S -","- C92 H112 Cl4 N4 O20 Ru4 S4 -","4","1","","Aman, Farhana; Hanif, Muhammad; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Filak, Lukas K.; Reynisson, Jóhannes; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G.","Anticancer Ruthenium(η6-p-cymene) Complexes of Nonsteroidal Anti-inflammatory Drug Derivatives","Organometallics","2014","33","19","5546","","10.1021/om500825h","","","0.71073","MoKα","","0.037","0.0326","","","0.0702","0.0721","","","","","","1.085","","","","has coordinates","243721","2020-10-21","18:00:00",""
"4089688","17.094","0.0005","17.4204","0.0004","17.4423","0.0004","90","","90","","90","","5194","0.2","100","2","100","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","Chlorido(methyl 4-oxido-2-benzyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide)(?6-p-cymene)ruthenium(II)","","- C27 H28 Cl N O5 Ru S -","- C27 H28 Cl N O5 Ru S -","- C216 H224 Cl8 N8 O40 Ru8 S8 -","8","1","","Aman, Farhana; Hanif, Muhammad; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Filak, Lukas K.; Reynisson, Jóhannes; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G.","Anticancer Ruthenium(η6-p-cymene) Complexes of Nonsteroidal Anti-inflammatory Drug Derivatives","Organometallics","2014","33","19","5546","","10.1021/om500825h","","","0.71073","MoKα","","0.0248","0.0227","","","0.0537","0.0548","","","","","","1.054","","","","has coordinates","243721","2020-10-21","18:00:00",""
"4089689","8.677","0.003","8.727","0.004","10.94","0.006","89.76","0.02","81.67","0.03","77.835","0.014","801","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 O4 Si4 -","- C38 H32 O4 Si4 -","- C38 H32 O4 Si4 -","1","0.5","","Cai, Yuanjing; Samedov, Kerim; Dolinar, Brian S.; Song, Zhegang; Tang, Ben Zhong; Zhang, Chaocan; West, Robert","Synthesis and High Solid-State Fluorescence of Cyclic Silole Derivatives","Organometallics","2014","34","1","78","","10.1021/om500884b","","x-ray","0.71073","MoKα","K-L~3~","0.057","0.0402","","","0.0946","0.1026","","","","","","1.043","","","","has coordinates","243722","2020-10-21","18:00:00",""
"4089690","8.306","0.003","22.618","0.008","34.932","0.012","90","","90","","90","","6563","4","100","2","100.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H32 O4 Si4 -","- C38 H32 O4 Si4 -","- C304 H256 O32 Si32 -","8","1","","Cai, Yuanjing; Samedov, Kerim; Dolinar, Brian S.; Song, Zhegang; Tang, Ben Zhong; Zhang, Chaocan; West, Robert","Synthesis and High Solid-State Fluorescence of Cyclic Silole Derivatives","Organometallics","2014","34","1","78","","10.1021/om500884b","","","0.71073","MoKα","","0.0444","0.0354","","","0.0887","0.0939","","","","","","1.069","","","","has coordinates","243722","2020-10-21","18:00:00",""
"4089691","16.745","0.0012","21.055","0.003","20.52","0.0017","90","","93.825","0.007","90","","7218.5","1.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H76 O6 Si4 -","- C88 H76 O6 Si4 -","- C352 H304 O24 Si16 -","4","0.5","","Cai, Yuanjing; Samedov, Kerim; Dolinar, Brian S.; Song, Zhegang; Tang, Ben Zhong; Zhang, Chaocan; West, Robert","Synthesis and High Solid-State Fluorescence of Cyclic Silole Derivatives","Organometallics","2014","34","1","78","","10.1021/om500884b","","x-ray","1.54178","CuKα","","0.0547","0.0404","","","0.1003","0.1082","","","","","","1.028","","","","has coordinates,has disorder","243722","2020-10-21","18:00:00",""
"4089692","10.722","0.004","11.006","0.004","13.92","0.006","102.992","0.019","101.607","0.018","103.183","0.013","1502.2","1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H64 O4 Si4 -","- C76 H64 O4 Si4 -","- C76 H64 O4 Si4 -","1","0.5","","Cai, Yuanjing; Samedov, Kerim; Dolinar, Brian S.; Song, Zhegang; Tang, Ben Zhong; Zhang, Chaocan; West, Robert","Synthesis and High Solid-State Fluorescence of Cyclic Silole Derivatives","Organometallics","2014","34","1","78","","10.1021/om500884b","","x-ray","0.71073","MoKα","","0.0852","0.0508","","","0.1169","0.1327","","","","","","1.018","","","","has coordinates,has disorder","243722","2020-10-21","18:00:00",""
"4089693","10.7401","0.0002","12.3839","0.0002","15.3414","0.0002","109.814","0.0009","107.068","0.0009","90.9332","0.001","1819.86","0.05","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C96 H68.83 O6.41 Si4 -","- C96 H68.828 O6.414 Si4 -","- C96 H68.828 O6.414 Si4 -","1","0.5","","Cai, Yuanjing; Samedov, Kerim; Dolinar, Brian S.; Song, Zhegang; Tang, Ben Zhong; Zhang, Chaocan; West, Robert","Synthesis and High Solid-State Fluorescence of Cyclic Silole Derivatives","Organometallics","2014","34","1","78","","10.1021/om500884b","","","1.54178","CuKα","","0.059","0.0465","","","0.1312","0.1385","","","","","","1.044","","","","has coordinates,has disorder","243722","2020-10-21","18:00:00",""
"4089694","13.684","0.002","13.866","0.002","21.622","0.003","75.471","0.002","81.717","0.002","60.894","0.002","3468.7","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H111 Ce Cl2 O16 Si4 -","- C49 H111 Ce Cl2 O16 Si4 -","- C98 H222 Ce2 Cl4 O32 Si8 -","2","1","","Lapadula, Giuseppe; Conley, Matthew P.; Copéret, Christophe; Andersen, Richard A.","Synthesis and Characterization of Rare Earth Siloxide Complexes, M[OSi(OtBu)3]3(L)x where L is HOSi(OtBu)3 and x = 0 or 1","Organometallics","2014","34","11","2271","","10.1021/om501047g","","x-ray","0.71073","MoKα","","0.0837","0.0737","","","0.1871","0.1916","","","","","","1.203","","","","has coordinates,has disorder","243723","2020-10-21","18:00:00",""
"4089695","13.7651","0.0015","13.8406","0.0015","21.602","0.002","75.5109","0.0017","81.1199","0.0017","60.5631","0.0015","3467.8","0.6","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C49 H111 Cl2 Eu O16 Si4 -","- C49 H111 Cl2 Eu O16 Si4 -","- C98 H222 Cl4 Eu2 O32 Si8 -","2","2","","Lapadula, Giuseppe; Conley, Matthew P.; Copéret, Christophe; Andersen, Richard A.","Synthesis and Characterization of Rare Earth Siloxide Complexes, M[OSi(OtBu)3]3(L)x where L is HOSi(OtBu)3 and x = 0 or 1","Organometallics","2014","34","11","2271","","10.1021/om501047g","","x-ray","0.71073","MoKα","K-L~3~","0.0498","0.0413","","","0.0967","0.1012","","","","","","1.041","","","","has coordinates,has disorder","254024","2020-10-21","18:00:00",""
"4089696","25.912","0.004","14.118","0.002","27.368","0.005","90","","97.791","0.003","90","","9919","3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C288 H648 La8 O96 Si24 -","- C288 H648 La8 O96 Si24 -","- C288 H648 La8 O96 Si24 -","1","0.125","","Lapadula, Giuseppe; Conley, Matthew P.; Copéret, Christophe; Andersen, Richard A.","Synthesis and Characterization of Rare Earth Siloxide Complexes, M[OSi(OtBu)3]3(L)x where L is HOSi(OtBu)3 and x = 0 or 1","Organometallics","2014","34","11","2271","","10.1021/om501047g","","x-ray","0.71073","MoKα","","0.1123","0.0727","","","0.1602","0.1729","","","","","","1.164","","","","has coordinates,has disorder","243723","2020-10-21","18:00:00",""
"4089697","23.815","0.002","13.5547","0.0009","31.154","0.002","90","","101.991","0.002","90","","9837.2","1.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H81 Lu O12 Si3 -","- C36 H81 Lu O12 Si3 -","- C288 H648 Lu8 O96 Si24 -","8","1","","Lapadula, Giuseppe; Conley, Matthew P.; Copéret, Christophe; Andersen, Richard A.","Synthesis and Characterization of Rare Earth Siloxide Complexes, M[OSi(OtBu)3]3(L)x where L is HOSi(OtBu)3 and x = 0 or 1","Organometallics","2014","34","11","2271","","10.1021/om501047g","","x-ray","0.71073","MoKα","","0.032","0.029","","","0.076","0.0771","","","","","","1.201","","","","has coordinates","243723","2020-10-21","18:00:00",""
"4089698","13.485","0.003","22.616","0.004","24.217","0.005","71.842","0.003","89.146","0.003","80.549","0.003","6917","2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H111 Cl2 Nd O16 Si4 -","- C49 H111 Cl2 Nd O16 Si4 -","- C196 H444 Cl8 Nd4 O64 Si16 -","4","2","","Lapadula, Giuseppe; Conley, Matthew P.; Copéret, Christophe; Andersen, Richard A.","Synthesis and Characterization of Rare Earth Siloxide Complexes, M[OSi(OtBu)3]3(L)x where L is HOSi(OtBu)3 and x = 0 or 1","Organometallics","2014","34","11","2271","","10.1021/om501047g","","x-ray","0.71073","MoKα","","0.109","0.1013","","","0.2454","0.2496","","","","","","1.203","","","","has coordinates,has disorder","243723","2020-10-21","18:00:00",""
"4089699","13.5964","0.0016","13.6207","0.0016","30.778","0.004","88.382","0.0018","86.6834","0.0018","60.0286","0.0015","4929.4","1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C144 H324 O48 Sc4 Si12 -","- C144 H324 O48 Sc4 Si12 -","- C144 H324 O48 Sc4 Si12 -","1","0.5","","Lapadula, Giuseppe; Conley, Matthew P.; Copéret, Christophe; Andersen, Richard A.","Synthesis and Characterization of Rare Earth Siloxide Complexes, M[OSi(OtBu)3]3(L)x where L is HOSi(OtBu)3 and x = 0 or 1","Organometallics","2014","34","11","2271","","10.1021/om501047g","","x-ray","0.71073","MoKα","","0.0794","0.0668","","","0.1404","0.1446","","","","","","1.226","","","","has coordinates,has disorder","243723","2020-10-21","18:00:00",""
"4089700","13.7383","0.0013","14.4897","0.0014","17.4579","0.0017","97.5573","0.0013","91.3154","0.0013","99.3144","0.0013","3396.1","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H111 Cl2 O16 Sc Si4 -","- C49 H111 Cl2 O16 Sc Si4 -","- C98 H222 Cl4 O32 Sc2 Si8 -","2","1","","Lapadula, Giuseppe; Conley, Matthew P.; Copéret, Christophe; Andersen, Richard A.","Synthesis and Characterization of Rare Earth Siloxide Complexes, M[OSi(OtBu)3]3(L)x where L is HOSi(OtBu)3 and x = 0 or 1","Organometallics","2014","34","11","2271","","10.1021/om501047g","","x-ray","0.71073","MoKα","","0.0439","0.0362","","","0.0993","0.1047","","","","","","1.024","","","","has coordinates,has disorder","243723","2020-10-21","18:00:00",""
"4089701","13.7665","0.0014","13.8428","0.0014","21.58","0.002","75.2984","0.0015","80.5562","0.0015","60.6775","0.0014","3464.3","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H111 Cl2 O16 Si4 Y -","- C49 H111 Cl2 O16 Si4 Y -","- C98 H222 Cl4 O32 Si8 Y2 -","2","1","","Lapadula, Giuseppe; Conley, Matthew P.; Copéret, Christophe; Andersen, Richard A.","Synthesis and Characterization of Rare Earth Siloxide Complexes, M[OSi(OtBu)3]3(L)x where L is HOSi(OtBu)3 and x = 0 or 1","Organometallics","2014","34","11","2271","","10.1021/om501047g","","","0.71073","MOKα","","0.0468","0.0358","","","0.0898","0.0947","","","","","","0.986","","","","has coordinates,has disorder","243723","2020-10-21","18:00:00",""
"4089702","13.5871","0.0013","13.7326","0.0013","31.236","0.003","100.366","0.0014","90.0573","0.0014","119.662","0.0012","4954.1","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H81 O12 Si3 Yb -","- C36 H81 O12 Si3 Yb -","- C144 H324 O48 Si12 Yb4 -","4","2","","Lapadula, Giuseppe; Conley, Matthew P.; Copéret, Christophe; Andersen, Richard A.","Synthesis and Characterization of Rare Earth Siloxide Complexes, M[OSi(OtBu)3]3(L)x where L is HOSi(OtBu)3 and x = 0 or 1","Organometallics","2014","34","11","2271","","10.1021/om501047g","","x-ray","0.71073","MoKα","","0.0474","0.0413","","","0.0878","0.09","","","","","","1.197","","","","has coordinates,has disorder","243723","2020-10-21","18:00:00",""
"4089703","13.7858","0.0013","14.6169","0.0013","17.5171","0.0016","97.9411","0.0012","91.888","0.0013","99.4943","0.0013","3442.4","0.5","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C49 H111 Cl2 O16 Si4 Yb -","- C49 H111 Cl2 O16 Si4 Yb -","- C98 H222 Cl4 O32 Si8 Yb2 -","2","2","","Lapadula, Giuseppe; Conley, Matthew P.; Copéret, Christophe; Andersen, Richard A.","Synthesis and Characterization of Rare Earth Siloxide Complexes, M[OSi(OtBu)3]3(L)x where L is HOSi(OtBu)3 and x = 0 or 1","Organometallics","2014","34","11","2271","","10.1021/om501047g","","","0.71073","MoKα","","0.027","0.024","","","0.0575","0.0596","","","","","","1.074","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4120430","11.5083","0.0004","11.7852","0.0004","16.1123","0.0006","90","","90","","90","","2185.27","0.13","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H33 F3 N4 Ni O5 S -","- C16 H33 F3 N4 Ni O5 S -","- C64 H132 F12 N16 Ni4 O20 S4 -","4","1","","Heims, Florian; Pfaff, Florian Felix; Abram, Sarah-Luise; Farquhar, Erik R.; Bruschi, Maurizio; Greco, Claudio; Ray, Kallol","Redox non-innocence of a N-heterocyclic nitrenium cation bound to a nickel-cyclam core.","Journal of the American Chemical Society","2014","136","2","582","585","10.1021/ja4099559","","","0.71073","MoKα","","0.0481","0.0391","","","0.066","0.0668","","","","","","1.747","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120431","17.2639","0.0006","18.5917","0.0006","20.0435","0.0006","90","","90","","90","","6433.3","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H41 F12 N8 Ni P2 -","- C24 H41 F12 N8 Ni P2 -","- C192 H328 F96 N64 Ni8 P16 -","8","2","","Heims, Florian; Pfaff, Florian Felix; Abram, Sarah-Luise; Farquhar, Erik R.; Bruschi, Maurizio; Greco, Claudio; Ray, Kallol","Redox non-innocence of a N-heterocyclic nitrenium cation bound to a nickel-cyclam core.","Journal of the American Chemical Society","2014","136","2","582","585","10.1021/ja4099559","","","0.71073","MoKα","","0.1267","0.0839","","","0.1715","0.194","","","","","","1.04","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120432","21.381","0.009","7.616","0.004","15.488","0.007","90","","126.334","0.012","90","","2031.7","1.7","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C15 H19 Cl Cu N7 O6 -","- C15 H19 Cl Cu N7 O6 -","- C60 H76 Cl4 Cu4 N28 O24 -","4","0.5","","Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.","Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.","Journal of the American Chemical Society","2014","136","2","671","678","10.1021/ja4088709","","","0.71073","MoKα","","0.102","0.0641","","","0.1623","0.1884","","","","","","1.109","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120433","21.5868","0.001","7.3214","0.0003","18.2301","0.001","90","","116.799","0.003","90","","2571.7","0.2","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H52 Cl2 Cu2 N16 O13 -","- C36 H52 Cl2 Cu2 N16 O13 -","- C72 H104 Cl4 Cu4 N32 O26 -","2","0.25","","Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.","Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.","Journal of the American Chemical Society","2014","136","2","671","678","10.1021/ja4088709","","","0.71073","MoKα","","0.1354","0.113","","","0.3167","0.3414","","","","","","1.095","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120434","7.3259","0.0008","21.889","0.002","30.024","0.003","90","","90","","90","","4814.5","0.8","100","2","100","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C16 H23 Cl Cu N7 O6 -","- C16 H23 Cl Cu N7 O6 -","- C128 H184 Cl8 Cu8 N56 O48 -","8","","","Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.","Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.","Journal of the American Chemical Society","2014","136","2","671","678","10.1021/ja4088709","","","0.71073","MoKα","","0.1384","0.1288","","","0.3591","0.3659","","","","","","1.182","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120435","21.088","0.012","7.861","0.005","15.11","0.009","90","","123.989","0.006","90","","2077","2","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C17 H23 Cl Cu N7 O6 -","- C17 H23 Cl Cu N7 O6 -","- C68 H92 Cl4 Cu4 N28 O24 -","4","0.5","","Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.","Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.","Journal of the American Chemical Society","2014","136","2","671","678","10.1021/ja4088709","","","0.71073","MoKα","","0.1284","0.115","","","0.3289","0.338","","","","","","0.992","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120436","7.4576","0.0012","11.4553","0.0018","15.173","0.002","100.375","0.012","92.657","0.012","107.116","0.011","1211.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H51 Cl2 Cu2 N15 O11 -","- C39 H51 Cl2 Cu2 N15 O11 -","- C39 H51 Cl2 Cu2 N15 O11 -","1","0.5","","Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.","Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.","Journal of the American Chemical Society","2014","136","2","671","678","10.1021/ja4088709","","","0.71073","MoKα","","0.1625","0.0956","","","0.2426","0.291","","","","","","1.05","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120437","11.9083","0.0003","11.9083","0.0003","71.9218","0.0007","90","","90","","120","","8832.6","0.3","296","2","296","2","","","","","","","","4","P 65","P 65","170","hof-2-r-pea","","","- C44 H44 N20 O3 -","- C44 H44 N20 O3 -","- C264 H264 N120 O18 -","6","1","","Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin","A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols.","Journal of the American Chemical Society","2014","136","2","547","549","10.1021/ja4129795","","","1.54178","CuKα","","0.1029","0.0873","","","0.1505","0.1566","","","","","","1.002","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120438","11.8925","0.0008","11.8925","0.0008","71.857","0.004","90","","90","","120","","8801.3","1","296","2","296","2","","","","","","","","4","P 65","P 65","170","hof-2-s-pea","","","- C44 H44 N20 O3 -","- C44 H44 N20 O3 -","- C264 H264 N120 O18 -","6","1","","Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin","A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols.","Journal of the American Chemical Society","2014","136","2","547","549","10.1021/ja4129795","","","1.54178","CuKα","","0.1032","0.0855","","","0.2677","0.2108","","","","","","1.044","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120439","11.8861","0.0007","11.8861","0.0007","71.796","0.008","90","","90","","120","","8784.4","1.2","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C36 H34 N20 O2 -","- C36 H34 N20 O2 -","- C216 H204 N120 O12 -","6","1","","Li, Peng; He, Yabing; Guang, Jie; Weng, Linghong; Zhao, John Cong-Gui; Xiang, Shengchang; Chen, Banglin","A homochiral microporous hydrogen-bonded organic framework for highly enantioselective separation of secondary alcohols.","Journal of the American Chemical Society","2014","136","2","547","549","10.1021/ja4129795","","","1.54178","CuKα","","0.1029","0.0877","","","0.1918","0.1991","","","","","","1.002","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120440","7.127","0.005","7.543","0.005","12.014","0.005","83.495","0.005","88.783","0.005","67.724","0.005","593.6","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0301","0.0285","","","0.0776","0.0785","","","","","","1.091","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120441","8.035","0.0005","8.2606","0.0006","9.7665","0.0007","77.26","0.001","73.554","0.001","78.132","0.001","599.26","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0257","0.0253","","","0.076","0.0764","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120442","7.9345","0.0004","8.2352","0.0004","9.7232","0.0004","77.5","0.001","72.92","0.003","77.61","0.001","585.11","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0231","0.023","","","0.0671","0.0671","","","","","","0.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120443","7.9548","0.0011","8.2408","0.0012","9.7333","0.0014","77.482","0.001","73.031","0.001","77.695","0.001","588.05","0.15","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0231","0.0229","","","0.0677","0.068","","","","","","0.994","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120444","7.9746","0.0011","8.2474","0.0011","9.7454","0.0013","77.428","0.001","73.156","0.001","77.796","0.001","591.15","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0231","0.0228","","","0.0622","0.0623","","","","","","1.049","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120445","7.9932","0.0009","8.2504","0.0009","9.749","0.0011","77.377","0.001","73.279","0.001","77.9","0.001","593.4","0.11","175","2","175","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0242","0.0237","","","0.0668","0.0673","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120446","8.0146","0.0009","8.2576","0.0009","9.7583","0.001","77.324","0.001","73.418","0.001","78.017","0.001","596.57","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0254","0.0248","","","0.0733","0.074","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120447","7.123","0.005","7.543","0.005","12.009","0.005","83.508","0.005","88.837","0.005","67.752","0.005","593.2","0.6","225","2","225","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","- C30 H16 Cu N6 O2 -","1","0.5","","Liu, Guangfeng; Liu, Jie; Liu, Yang; Tao, Xutang","Oriented Single-Crystal-to-Single-Crystal Phase Transition with Dramatic Changes in the Dimensions of Crystals.","Journal of the American Chemical Society","2014","136","2","590","593","10.1021/ja4102634","","","0.71073","MoKα","","0.0681","0.0547","","","0.1464","0.1555","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120448","14.232","0.003","16.803","0.003","14.491","0.003","90","","101.19","0.03","90","","3399.5","1.2","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H112 Cu8 -","- C64 H112 Cu8 -","- C128 H224 Cu16 -","2","0.5","","Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.","Journal of the American Chemical Society","2014","136","2","610","613","10.1021/ja4114243","","","0.71073","MoKα","","0.1296","0.0491","","","0.0743","0.0819","","","","","","1.009","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120449","18.6062","0.0014","14.647","0.0009","18.656","0.0016","90","","108.433","0.009","90","","4823.4","0.7","180","2","180","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H80 Cu8 -","- C48 H80 Cu8 -","- C192 H320 Cu32 -","4","1","","Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.","Journal of the American Chemical Society","2014","136","2","610","613","10.1021/ja4114243","","","0.71073","MoKα","","0.041","0.0274","","","0.0566","0.0618","","","","","","1.039","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120450","16.3819","0.0005","12.9444","0.0004","35.6961","0.0013","90","","101.894","0.004","90","","7407","0.4","180","2","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H116 Cl4 Cu8 Li2 N4 -","- C60 H116 Cl4 Cu8 Li2 N4 -","- C240 H464 Cl16 Cu32 Li8 N16 -","4","1","","Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.","Journal of the American Chemical Society","2014","136","2","610","613","10.1021/ja4114243","","","0.71073","MoKα","","0.0848","0.0551","","","0.1203","0.1365","","","","","","1.058","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120451","12.371","0.003","17.06","0.003","28.421","0.006","95.05","0.03","99.79","0.03","98.53","0.03","5806","2","180","2","180","","","","","","","","","4","P -1","-P 1","2","","","","- C96 H168 Cl4 Cu12 -","- C96 H168 Cl4 Cu12 -","- C192 H336 Cl8 Cu24 -","2","1","","Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.","Journal of the American Chemical Society","2014","136","2","610","613","10.1021/ja4114243","","","0.71073","MoKα","","0.0884","0.0543","","","0.1338","0.1507","","","","","","0.991","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120452","9.1034","0.0003","12.6088","0.0005","22.6274","0.0009","95.008","0.003","99.948","0.003","98.618","0.003","2512.17","0.17","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H80 Cu3 I2 Li O3 -","- C44 H80 Cu3 I2 Li O3 -","- C88 H160 Cu6 I4 Li2 O6 -","2","1","","Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.","Journal of the American Chemical Society","2014","136","2","610","613","10.1021/ja4114243","","","0.71073","MoKα","","0.0617","0.049","","","0.1315","0.1451","","","","","","1.032","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120453","5.681","","43.239","","14.904","","90","","90.522","","90","","3660.88","","213.1","","213.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H20 N2 O8 S2 -","- C36 H48 N2 O7.98 S2 -","- C144 H192 N8 O31.92 S8 -","4","1","","Comotti, Angiolina; Bracco, Silvia; Yamamoto, Atsushi; Beretta, Mario; Hirukawa, Tomofumi; Tohnai, Norimitsu; Miyata, Mikiji; Sozzani, Piero","Engineering switchable rotors in molecular crystals with open porosity.","Journal of the American Chemical Society","2014","136","2","618","621","10.1021/ja411233p","","","1.54187","CuKα","","","0.1374","","","","0.3206","","","","","","0.876","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120454","5.512","0.0009","43.593","0.005","14.5819","0.0019","90","","91.628","0.007","90","","3502.4","0.8","123.1","","123.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N2 O6 S2 -","- C32 H40 N2 O6 S2 -","- C128 H160 N8 O24 S8 -","4","1","","Comotti, Angiolina; Bracco, Silvia; Yamamoto, Atsushi; Beretta, Mario; Hirukawa, Tomofumi; Tohnai, Norimitsu; Miyata, Mikiji; Sozzani, Piero","Engineering switchable rotors in molecular crystals with open porosity.","Journal of the American Chemical Society","2014","136","2","618","621","10.1021/ja411233p","","","1.54187","CuKα","","","0.1658","","","","0.4645","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120455","25.6178","0.0013","19.6472","0.001","25.9073","0.0015","90","","105.802","0.002","90","","12546.8","1.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C145 H180 S4 Si2 -","- C145 H180 S4 Si2 -","- C580 H720 S16 Si8 -","4","1","","Lips, Felicitas; Fettinger, James C.; Mansikkamäki, Akseli; Tuononen, Heikki M.; Power, Philip P.","Reversible Complexation of Ethylene by a Silylene under Ambient Conditions.","Journal of the American Chemical Society","2014","136","2","634","637","10.1021/ja411951y","","","1.54178","CuKα","","0.0463","0.043","","","0.1196","0.1225","","","","","","1.029","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120456","11.2065","0.0012","19.85","0.002","12.2681","0.0013","90","","110.793","0.0016","90","","2551.3","0.5","90","2","90","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C62 H66 S2 Si -","- C62 H66 S2 Si -","- C124 H132 S4 Si2 -","2","0.5","","Lips, Felicitas; Fettinger, James C.; Mansikkamäki, Akseli; Tuononen, Heikki M.; Power, Philip P.","Reversible Complexation of Ethylene by a Silylene under Ambient Conditions.","Journal of the American Chemical Society","2014","136","2","634","637","10.1021/ja411951y","","","0.71073","MoKα","","0.0744","0.0702","","","0.1506","0.1527","","","","","","1.163","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120457","16.183","0.006","22.854","0.008","30.773","0.009","90","","118.013","0.014","90","","10048","6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H86 As Cl N8 O6 S8 -","- C98 H86 As Cl N8 O6 S8 -","- C392 H344 As4 Cl4 N32 O24 S32 -","4","1","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","0.71073","MoKα","","0.2623","0.0857","","","0.1892","0.2358","","","","","","0.646","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120458","17.407","0.004","37.264","0.008","29.795","0.006","90","","101.927","0.003","90","","18909","7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C83 H55 Cl3 F3 N8 O2 P1.5 S8 -","- C83 H55 Cl3 F3 N8 O2 P1.5 S8 -","- C664 H440 Cl24 F24 N64 O16 P12 S64 -","8","1","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","0.71073","MoKα","","0.2032","0.0879","","","0.2228","0.2526","","","","","","0.845","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120459","15.5571","0.0017","17.2914","0.0019","28.018","0.003","90","","96.999","0.001","90","","7480.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H50 N8 Se8 -","- C80 H50 N8 Se8 -","- C320 H200 N32 Se32 -","4","1","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","0.71073","MoKα","","0.0657","0.0429","","","0.0893","0.0949","","","","","","1.039","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120460","21.3517","0.0006","21.3517","0.0006","16.3004","0.0006","90","","90","","90","","7431.3","0.4","90","2","90","2","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","","","- C13 H12.25 N Te -","- C13 H12.25 N Te -","- C208 H196 N16 Te16 -","16","1","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","1.54178","CuKα","","0.0691","0.065","","","0.2054","0.2118","","","","","","1.048","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120461","39.099","0.005","11.4435","0.0014","27.428","0.006","90","","132.005","0.001","90","","9119","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C96 H70 N8 S8 -","- C96 H82 N8 S8 -","- C384 H328 N32 S32 -","4","0.5","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","0.71073","MoKα","","0.0685","0.0424","","","0.1079","0.1158","","","","","","1.078","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120462","26.58","0.04","10.488","0.017","32.51","0.05","90","","110.51","0.03","90","","8488","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H56 Cl3 N9 O S8 Zn -","- C84 H56 Cl3 N9 O S8 Zn -","- C336 H224 Cl12 N36 O4 S32 Zn4 -","4","1","","Furuyama, Taniyuki; Satoh, Koh; Kushiya, Tomofumi; Kobayashi, Nagao","Design, Synthesis, and Properties of Phthalocyanine Complexes with Main-Group Elements Showing Main Absorption and Fluorescence beyond 1000 nm.","Journal of the American Chemical Society","2014","136","2","765","776","10.1021/ja411016f","","","0.71073","MoKα","","0.1248","0.079","","","0.1997","0.2203","","","","","","0.996","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120463","6.801","","11.467","","6.882","","90","","94.28","","90","","535.21","","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N O6 -","- C9 H13 N O6 -","- C18 H26 N2 O12 -","2","1","","Aydillo, Carlos; Compañón, Ismael; Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Peregrina, Jesús M; Zurbano, María M","S-Michael additions to chiral dehydroalanines as an entry to glycosylated cysteines and a sulfa-tn antigen mimic.","Journal of the American Chemical Society","2014","136","2","789","800","10.1021/ja411522f","","","0.71073","MoKα","","0.0373","0.0342","","","0.1042","0.1078","","","","","","0.866","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120464","6.4895","0.0004","12.4868","0.0012","10.0658","0.0009","90","","106.939","0.005","90","","780.28","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H21 N O6 -","- C13 H21 N O6 -","- C26 H42 N2 O12 -","2","1","","Aydillo, Carlos; Compañón, Ismael; Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Peregrina, Jesús M; Zurbano, María M","S-Michael additions to chiral dehydroalanines as an entry to glycosylated cysteines and a sulfa-tn antigen mimic.","Journal of the American Chemical Society","2014","136","2","789","800","10.1021/ja411522f","","","0.71073","MoKα","","0.063","0.0481","","","0.1123","0.1196","","","","","","0.993","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120465","8.7207","0.0005","11.0415","0.0006","12.0957","0.0008","76.6178","0.0019","77.387","0.002","85.038","0.002","1104.93","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 Cl N2 O3 -","- C24 H27 Cl N2 O3 -","- C48 H54 Cl2 N4 O6 -","2","1","","Wang, Ming; Huang, Zhijian; Xu, Jianfeng; Chi, Yonggui Robin","N-heterocyclic carbene-catalyzed [3+4] cycloaddition and kinetic resolution of azomethine imines.","Journal of the American Chemical Society","2014","136","4","1214","1217","10.1021/ja411110f","","","0.71073","MoKα","","0.0743","0.0455","","","0.1257","0.161","","","","","","1.102","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120466","19.268","0.0014","9.7295","0.0006","13.1749","0.001","90","","110.476","0.002","90","","2313.8","0.3","103","2","103","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27.5 H25 Cl N2 O2.5 -","- C27.5 H25 Cl N2 O2.5 -","- C110 H100 Cl4 N8 O10 -","4","1","","Wang, Ming; Huang, Zhijian; Xu, Jianfeng; Chi, Yonggui Robin","N-heterocyclic carbene-catalyzed [3+4] cycloaddition and kinetic resolution of azomethine imines.","Journal of the American Chemical Society","2014","136","4","1214","1217","10.1021/ja411110f","","","0.71073","MoKα","","0.0636","0.0513","","","0.1175","0.1258","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120467","9.3625","0.001","15.5302","0.0016","19.15","0.002","106.249","0.008","100.111","0.007","103.789","0.007","2507","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H76 O3 Si8 -","- C38 H76 O3 Si8 -","- C76 H152 O6 Si16 -","2","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0608","","","","0.1559","","","","","","1.137","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120468","9.645","0.008","14.612","0.011","34.8","0.03","90","","95.245","0.01","90","","4884","7","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H78 O3 Si8 -","- C35 H78 O3 Si8 -","- C140 H312 O12 Si32 -","4","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0724","","","","0.2064","","","","","","1.072","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120469","9.8072","0.0014","15.361","0.002","18.474","0.003","112.146","0.008","95.528","0.007","98.94","0.007","2509.7","0.7","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H80 O3 Si8 -","- C36 H80 O3 Si8 -","- C72 H160 O6 Si16 -","2","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0686","","","","0.1596","","","","","","1.109","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120470","16.947","0.005","23.441","0.007","26.008","0.008","90","","90","","90","","10332","5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H84 O3 Si8 -","- C39 H84 O3 Si8 -","- C312 H672 O24 Si64 -","8","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0763","","","","0.2277","","","","","","1.088","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120471","9.3553","0.0006","14.978","0.001","18.5074","0.0013","97.412","0.007","92.695","0.007","95.354","0.007","2555.9","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H84 O3 Si8 -","- C38 H84 O3 Si8 -","- C76 H168 O6 Si16 -","2","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0488","","","","0.12","","","","","","1.049","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120472","9.0741","0.0013","15.281","0.002","21.098","0.004","83.64","0.03","87.08","0.04","74.09","0.02","2795.4","0.8","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H78 O3 Si8 -","- C35 H78 O3 Si8 -","- C70 H156 O6 Si16 -","2","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0812","","","","0.256","","","","","","1.09","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120473","14.981","0.003","17.61","0.003","20.61","0.004","90","","107.525","0.008","90","","5184.9","1.7","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H78 O3 Si8 -","- C26 H50.6667 O2 Si5.33333 -","- C156 H304 O12 Si32 -","6","3","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.063","","","","0.1273","","","","","","1.01","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120474","12.453","0.008","6.088","0.003","19.577","0.015","90","","106.84","0.03","90","","1420.6","1.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cl O2 -","- C17 H19 Cl O2 -","- C68 H76 Cl4 O8 -","4","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0572","","","","0.1576","","","","","","1.067","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120475","8.9854","0.001","12.5595","0.0013","15.9376","0.0017","90","","100.712","0.002","90","","1767.2","0.3","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 N4 W -","- C12 H30 N4 W -","- C48 H120 N16 W4 -","4","1","","McClain, K. Randall; O'Donohue, Christopher; Koley, Arijit; Bonsu, Richard O.; Abboud, Khalil A.; Revelli, Joseph C.; Anderson, Timothy J.; McElwee-White, Lisa","Tungsten Nitrido Complexes as Precursors for Low Temperature Chemical Vapor Deposition of WNxCy Films as Diffusion Barriers for Cu Metallization.","Journal of the American Chemical Society","2014","136","4","1650","1662","10.1021/ja4117582","","","0.71073","MoKα","","0.0384","0.026","","","0.0656","0.0719","","","","","","1.058","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120476","15.2965","0.0008","17.931","0.001","20.879","0.0011","90","","90","","90","","5726.7","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H34 N4 W -","- C14 H34 N4 W -","- C168 H408 N48 W12 -","12","3","","McClain, K. Randall; O'Donohue, Christopher; Koley, Arijit; Bonsu, Richard O.; Abboud, Khalil A.; Revelli, Joseph C.; Anderson, Timothy J.; McElwee-White, Lisa","Tungsten Nitrido Complexes as Precursors for Low Temperature Chemical Vapor Deposition of WNxCy Films as Diffusion Barriers for Cu Metallization.","Journal of the American Chemical Society","2014","136","4","1650","1662","10.1021/ja4117582","","","0.71073","MoKα","","0.0306","0.0214","","","0.0377","0.0393","","","","","","0.98","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120477","9.573","0.005","17.473","0.004","11.177","0.012","90","","105.99","0.05","90","","1797","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 F3 N2 Sn -","- C15 H25 F3 N2 Sn0.996 -","- C60 H100 F12 N8 Sn3.984 -","4","1","","Samuel, Prinson P.; Li, Yan; Roesky, Herbert W.; Chevelkov, Veniamin; Lange, Adam; Burkhardt, Anja; Dittrich, Birger","Synthetic Access to a Hydrocarbon-Soluble Trifluorinated Ge(II) Compound and its Sn(II) Congener.","Journal of the American Chemical Society","2014","136","4","1292","1295","10.1021/ja412151e","","","0.6199","synchrotron","","0.0377","0.0362","","","0.098","0.0993","","","","","","1.072","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120478","9.3477","0.0011","10.5608","0.0012","17.8086","0.0019","90","","90","","90","","1758.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 F3 Ge N2 -","- C15 H25 F3 Ge N2 -","- C60 H100 F12 Ge4 N8 -","4","1","","Samuel, Prinson P.; Li, Yan; Roesky, Herbert W.; Chevelkov, Veniamin; Lange, Adam; Burkhardt, Anja; Dittrich, Birger","Synthetic Access to a Hydrocarbon-Soluble Trifluorinated Ge(II) Compound and its Sn(II) Congener.","Journal of the American Chemical Society","2014","136","4","1292","1295","10.1021/ja412151e","","","0.71073","MoKα","","0.036","0.0281","","","0.0566","0.0587","","","","","","1.041","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120479","12.0364","0.0005","12.1697","0.0006","15.7969","0.0007","81.811","0.002","74.339","0.002","86.193","0.002","2204.35","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","SGE6-192","hartwig20","","- C55 H47 Cl Ni O2 P2 -","- C55 H47 Cl Ni O2 P2 -","- C110 H94 Cl2 Ni2 O4 P4 -","2","1","","Ge, Shaozhong; Green, Rebecca A.; Hartwig, John F.","Controlling First-Row Catalysts: Amination of Aryl and Heteroaryl Chlorides and Bromides with Primary Aliphatic Amines Catalyzed by a BINAP-Ligated Single-Component Ni(0) Complex.","Journal of the American Chemical Society","2014","136","4","1617","1627","10.1021/ja411911s","","","1.54178","CuKα","","0.0718","0.0633","","","0.1855","0.1959","","","","","","1.042","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120480","24.075","0.002","24.075","0.002","10.7146","0.0012","90","","90","","120","","5378.2","0.9","100","2","100","","","","","","","","","4","P 3","P 3","143","","","","- C63.67 H79.33 Cl7.33 N12 -","- C60 H72 N12 -","- C180 H216 N36 -","3","1","","Hasell, Tom; Culshaw, Jamie L.; Chong, Samantha Y.; Schmidtmann, Marc; Little, Marc A.; Jelfs, Kim E.; Pyzer-Knapp, Edward O; Shepherd, Hilary; Adams, Dave J.; Day, Graeme M.; Cooper, Andrew I.","Controlling the crystallization of porous organic cages: molecular analogs of isoreticular frameworks using shape-specific directing solvents.","Journal of the American Chemical Society","2014","136","4","1438","1448","10.1021/ja409594s","","x-ray","0.71073","MoKα","","0.0859","0.0598","","","0.1688","0.1882","","","","","","0.946","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120481","14.1424","0.0001","26.0428","0.0002","14.2684","0.0001","90","","107.754","0.001","90","","5004.88","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[K(2,2,2-crypt)]3[Ru@Ge12]*4py","","- C74 H128 Ge12 K3 N10 O18 Ru -","- C74 H128 Ge12 K3 N10 O18 Ru -","- C148 H256 Ge24 K6 N20 O36 Ru2 -","2","1","","Espinoza-Quintero, Gabriela; Duckworth, Jack C. A.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Synthesis and characterization of [ru@ge12](3-): an endohedral 3-connected cluster.","Journal of the American Chemical Society","2014","136","4","1210","1213","10.1021/ja411280v","","","1.5418","CuKα","","0.0615","0.0574","","","0.1552","0.1621","","","","","","1.022","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120482","11.005","0.0003","9.2447","0.0003","34.6234","0.0008","90","","90","","90","","3522.51","0.17","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H25 N3 O5 Pt -","- C17 H25 N3 O5 Pt -","- C136 H200 N24 O40 Pt8 -","8","1","","Proetto, Maria T.; Rush, Anthony M.; Chien, Miao-Ping; Abellan Baeza, Patricia; Patterson, Joseph P.; Thompson, Matthew P.; Olson, Norman H.; Moore, Curtis E.; Rheingold, Arnold L.; Andolina, Christopher; Millstone, Jill; Howell, Stephen B.; Browning, Nigel D.; Evans, James E.; Gianneschi, Nathan C.","Dynamics of soft nanomaterials captured by transmission electron microscopy in liquid water.","Journal of the American Chemical Society","2014","136","4","1162","1165","10.1021/ja408513m","","x-ray","1.54178","CuKα","K-L~3~","0.0946","0.0745","","","0.1651","0.1731","","","","","","1.269","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120483","13.7184","0.0005","19.4893","0.0007","14.7566","0.0005","90","","101.087","0.002","90","","3871.7","0.2","147","2","147","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 Br2 Fe N O3 P2 -","- C37 H55 Br2 Fe N O3 P2 -","- C148 H220 Br8 Fe4 N4 O12 P8 -","4","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Sonnenberg, Jessica F.; Wan, Kai Yang; Lough, Alan J.; Morris, Robert H.","Iron(II) Complexes Containing Unsymmetrical P-N-P' Pincer Ligands for the Catalytic Asymmetric Hydrogenation of Ketones and Imines.","Journal of the American Chemical Society","2014","136","4","1367","1380","10.1021/ja4082233","","","1.54178","CuKα","","0.0424","0.034","","","0.0847","0.0894","","","","","","1.026","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120484","11.0699","0.0003","14.9971","0.0005","15.9716","0.0005","88.297","0.0014","75.364","0.0016","68.451","0.0018","2380.32","0.13","147","1","147","1","","","","","","","","8","P -1","-P 1","2","","","","- C54 H59 B Br Fe N O2 P2 -","- C54 H59 B Br Fe N O2 P2 -","- C108 H118 B2 Br2 Fe2 N2 O4 P4 -","2","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Sonnenberg, Jessica F.; Wan, Kai Yang; Lough, Alan J.; Morris, Robert H.","Iron(II) Complexes Containing Unsymmetrical P-N-P' Pincer Ligands for the Catalytic Asymmetric Hydrogenation of Ketones and Imines.","Journal of the American Chemical Society","2014","136","4","1367","1380","10.1021/ja4082233","","","0.71073","MoKα","","0.118","0.0627","","","0.1364","0.1614","","","","","","1.03","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120485","11.3747","0.0006","13.0802","0.0008","18.9709","0.0011","90","","101.385","0.001","90","","2767","0.3","150","1","150","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 B Br F4 Fe N O2 P2 -","- C24 H31 B Br F4 Fe N O2 P2 -","- C96 H124 B4 Br4 F16 Fe4 N4 O8 P8 -","4","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Sonnenberg, Jessica F.; Wan, Kai Yang; Lough, Alan J.; Morris, Robert H.","Iron(II) Complexes Containing Unsymmetrical P-N-P' Pincer Ligands for the Catalytic Asymmetric Hydrogenation of Ketones and Imines.","Journal of the American Chemical Society","2014","136","4","1367","1380","10.1021/ja4082233","","","0.71073","MoKα","","0.0665","0.0474","","","0.1199","0.1354","","","","","","1.19","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120486","16.5256","0.001","7.4552","0.0005","20.1351","0.0013","90","","105.486","0.004","90","","2390.6","0.3","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Fe N O2 P2 -","- C24 H33 Fe N O2 P2 -","- C96 H132 Fe4 N4 O8 P8 -","4","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Sonnenberg, Jessica F.; Wan, Kai Yang; Lough, Alan J.; Morris, Robert H.","Iron(II) Complexes Containing Unsymmetrical P-N-P' Pincer Ligands for the Catalytic Asymmetric Hydrogenation of Ketones and Imines.","Journal of the American Chemical Society","2014","136","4","1367","1380","10.1021/ja4082233","","","1.54178","CuKα","","0.0362","0.0322","","","0.0808","0.0836","","","","","","1.043","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120487","15.2379","0.0007","17.9143","0.001","18.2681","0.0009","112.259","0.002","91.536","0.003","113.336","0.003","4144.8","0.4","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H78 Br6 Fe3 N2 O4 P4 -","- C60 H78 Br6 Fe3 N2 O4 P4 -","- C120 H156 Br12 Fe6 N4 O8 P8 -","2","1","","Lagaditis, Paraskevi O.; Sues, Peter E.; Sonnenberg, Jessica F.; Wan, Kai Yang; Lough, Alan J.; Morris, Robert H.","Iron(II) Complexes Containing Unsymmetrical P-N-P' Pincer Ligands for the Catalytic Asymmetric Hydrogenation of Ketones and Imines.","Journal of the American Chemical Society","2014","136","4","1367","1380","10.1021/ja4082233","","","0.71073","MoKα","","0.1466","0.0911","","","0.2323","0.2551","","","","","","0.999","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120488","32.6975","0.0007","10.0081","0.0003","24.9344","0.0008","90","","114.622","0.002","90","","7417.6","0.4","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C320 H400 N48 O32 -","16","2","","Chang, Kai-Chi; Minami, Tsuyoshi; Koutnik, Petr; Savechenkov, Pavel Y.; Liu, Yuanli; Anzenbacher, Jr, Pavel","Anion Binding Modes in meso-Substituted Hexapyrrolic Calix[4]pyrrole Isomers.","Journal of the American Chemical Society","2014","136","4","1520","1525","10.1021/ja411391c","","","0.7107","MoKα","","0.1219","0.0557","","","0.1056","0.126","","","","","","1.018","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120489","10.287","0.0013","11.15","0.001","13.04","0.0017","111.592","0.005","92.851","0.004","113.076","0.004","1246.1","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N2 O2 -","- C26 H35 N3 O3 -","- C52 H70 N6 O6 -","2","1","","Chang, Kai-Chi; Minami, Tsuyoshi; Koutnik, Petr; Savechenkov, Pavel Y.; Liu, Yuanli; Anzenbacher, Jr, Pavel","Anion Binding Modes in meso-Substituted Hexapyrrolic Calix[4]pyrrole Isomers.","Journal of the American Chemical Society","2014","136","4","1520","1525","10.1021/ja411391c","","","0.7107","MoKα","","0.1829","0.1123","","","0.1998","0.2212","","","","","","1.484","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120490","10.459","0.0002","14.643","0.0004","18.323","0.0005","103.891","0.002","106.045","0.002","107.136","0.001","2414.07","0.12","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H36 N6 O6 -","- C50 H66 N6 O6 -","- C100 H132 N12 O12 -","2","1","","Chang, Kai-Chi; Minami, Tsuyoshi; Koutnik, Petr; Savechenkov, Pavel Y.; Liu, Yuanli; Anzenbacher, Jr, Pavel","Anion Binding Modes in meso-Substituted Hexapyrrolic Calix[4]pyrrole Isomers.","Journal of the American Chemical Society","2014","136","4","1520","1525","10.1021/ja411391c","","","0.7107","MoKα","","0.127","0.071","","","0.1239","0.134","","","","","","1.624","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120491","8.4268","0.0008","19.2101","0.0019","14.5611","0.0014","90","","90","","90","","2357.1","0.4","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B9 Cs3 O21 Zn6 -","- B9 Cs3 O21 Zn6 -","- B36 Cs12 O84 Zn24 -","4","0.5","","Yu, Hongwei; Wu, Hongping; Pan, Shilie; Yang, Zhihua; Hou, Xueling; Su, Xin; Jing, Qun; Poeppelmeier, Kenneth R.; Rondinelli, James M.","Cs3Zn6B9O21: A Chemically Benign Member of the KBBF Family Exhibiting the Largest Second Harmonic Generation Response.","Journal of the American Chemical Society","2014","136","4","1264","1267","10.1021/ja4117389","","","0.71073","MoKα","","0.0245","0.0214","","","0.0445","0.0457","","","","","","1.006","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120492","10.6188","0.0007","21.8666","0.0015","21.4263","0.0013","90","","95.593","0.002","90","","4951.4","0.6","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H72 Li4 N4 O4 -","- C52 H72 Li4 N4 O4 -","- C208 H288 Li16 N16 O16 -","4","2","","Bruneau, Angela M.; Liou, Lara; Collum, David B.","Solution structures of lithium amino alkoxides used in highly enantioselective 1,2-additions.","Journal of the American Chemical Society","2014","136","7","2885","2891","10.1021/ja412210d","","","0.71073","MoKα","","0.0491","0.0339","","","0.0738","0.081","","","","","","1.051","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120493","10.006","0.0006","12.42","0.0006","15.542","0.0012","90","","106.763","0.003","90","","1849.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 Cl N O2 Rh -","- C19 H27 Cl N O2 Rh -","- C76 H108 Cl4 N4 O8 Rh4 -","4","1","","Neely, Jamie M.; Rovis, Tomislav","Rh(III)-Catalyzed Decarboxylative Coupling of Acrylic Acids with Unsaturated Oxime Esters: Carboxylic Acids Serve as Traceless Activators.","Journal of the American Chemical Society","2014","136","7","2735","2738","10.1021/ja412444d","","","0.71073","MoKα","","0.0282","0.0201","","","0.0439","0.0477","","","","","","1.056","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120494","10.152","0.002","7.7688","0.0017","38.639","0.008","90","","92.863","0.003","90","","3043.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N4 O3 -","- C15.9999 H17.9997 N4 O2.99995 -","- C127.999 H143.998 N32 O23.9996 -","8","2","","Nath, Naba K.; Pejov, Ljupčo; Nichols, Shane M.; Hu, Chunhua; Saleh, Na'il; Kahr, Bart; Naumov, Panče","Model for photoinduced bending of slender molecular crystals.","Journal of the American Chemical Society","2014","136","7","2757","2766","10.1021/ja4101497","","","0.71073","MoKα","","0.1166","0.0706","","","0.1641","0.1756","","","","","","1.108","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120495","6.125","0.002","7.74","0.003","32.799","0.011","90","","90","","90","","1554.9","0.9","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,7-diphenyl-3,6-dihydropyrrolo[3,2-e]indole","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Wei, Ye; Deb, Indubhusan; Yoshikai, Naohiko","Correction to palladium-catalyzed aerobic oxidative cyclization of N-aryl imines: indole synthesis from anilines and ketones.","Journal of the American Chemical Society","2014","136","7","2928","","10.1021/ja500182v","","","0.71073","MoKα","","0.1006","0.0646","","","0.1439","0.178","","","","","","1.021","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120496","25.9999","0.0009","42.8479","0.0014","18.1346","0.0013","90","","105.488","0.001","90","","19469.1","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H90 B20 Ir4 N4 O11 -","- C56 H84 B20 Ir4 N4 O11 -","- C448 H672 B160 Ir32 N32 O88 -","8","1","","Yao, Zi-Jian; Yu, Wei-Bin; Lin, Yue-Jian; Huang, Sheng-Li; Li, Zhen-Hua; Jin, Guo-Xin","Iridium-mediated regioselective B-h/c-h activation of carborane cage: a facile synthetic route to metallacycles with a carborane backbone.","Journal of the American Chemical Society","2014","136","7","2825","2832","10.1021/ja4115665","","","1.54178","CuKα","","0.0896","0.061","","","0.1556","0.1699","","","","","","0.917","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120497","53.686","0.01","11.179","0.002","38.356","0.007","90","","97.244","0.004","90","","22836","7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H59.6 B10 Cl1.8 Ir2 N O4.8 -","- C28.4 H48.8 B10 Cl1.8 Ir2 N0.4 O4.8 -","- C568 H976 B200 Cl36 Ir40 N8 O96 -","20","2.5","","Yao, Zi-Jian; Yu, Wei-Bin; Lin, Yue-Jian; Huang, Sheng-Li; Li, Zhen-Hua; Jin, Guo-Xin","Iridium-mediated regioselective B-h/c-h activation of carborane cage: a facile synthetic route to metallacycles with a carborane backbone.","Journal of the American Chemical Society","2014","136","7","2825","2832","10.1021/ja4115665","","","0.71073","MoKα","","0.1205","0.0979","","","0.2288","0.2404","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120498","9.0176","0.0006","26.3822","0.0013","17.607","0.001","90","","104.703","0.004","90","","4051.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H84 B20 Ir4 N4 O16 -","- C62 H84 B20 Ir4 N4 O16 -","- C124 H168 B40 Ir8 N8 O32 -","2","0.5","","Yao, Zi-Jian; Yu, Wei-Bin; Lin, Yue-Jian; Huang, Sheng-Li; Li, Zhen-Hua; Jin, Guo-Xin","Iridium-mediated regioselective B-h/c-h activation of carborane cage: a facile synthetic route to metallacycles with a carborane backbone.","Journal of the American Chemical Society","2014","136","7","2825","2832","10.1021/ja4115665","","","1.54178","CuKα","","0.1562","0.1081","","","0.2692","0.3128","","","","","","1.197","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120499","8.3463","0.0002","28.2369","0.0006","10.1409","0.0002","90","","113.854","0.001","90","","2185.79","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 B10 Ir N O3 -","- C15 H27 B10 Ir N O3 -","- C60 H108 B40 Ir4 N4 O12 -","4","1","","Yao, Zi-Jian; Yu, Wei-Bin; Lin, Yue-Jian; Huang, Sheng-Li; Li, Zhen-Hua; Jin, Guo-Xin","Iridium-mediated regioselective B-h/c-h activation of carborane cage: a facile synthetic route to metallacycles with a carborane backbone.","Journal of the American Chemical Society","2014","136","7","2825","2832","10.1021/ja4115665","","","1.54178","CuKα","","0.0442","0.0385","","","0.0986","0.1096","","","","","","1.164","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120500","8.8822","0.0006","10.1868","0.0007","19.2787","0.0013","104.059","0.001","100.408","0.001","91.12","0.001","1660.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H102 B20 Ir2 N2 O10 -","- C50 H98 B20 Ir2 N2 O10 -","- C50 H98 B20 Ir2 N2 O10 -","1","0.5","","Yao, Zi-Jian; Yu, Wei-Bin; Lin, Yue-Jian; Huang, Sheng-Li; Li, Zhen-Hua; Jin, Guo-Xin","Iridium-mediated regioselective B-h/c-h activation of carborane cage: a facile synthetic route to metallacycles with a carborane backbone.","Journal of the American Chemical Society","2014","136","7","2825","2832","10.1021/ja4115665","","","0.71073","MoKα","","0.0563","0.0445","","","0.1336","0.1788","","","","","","1.226","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120501","12.7152","0.0003","17.1863","0.0003","17.3225","0.0004","89.9635","0.0017","81.5135","0.0019","81.8096","0.0018","3705","0.14","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H37 B2 F8 Fe N7 O S -","- C34 H37 B2.0005 F8.002 Fe N7 O S -","- C136 H148 B8.002 F32.008 Fe4 N28 O4 S4 -","4","2","","Widger, Leland R.; Davies, Casey G.; Yang, Tzuhsiung; Siegler, Maxime A.; Troeppner, Oliver; Jameson, Guy N. L.; Ivanović-Burmazović, Ivana; Goldberg, David P.","Dramatically Accelerated Selective Oxygen-Atom Transfer by a Nonheme Iron(IV)-Oxo Complex: Tuning of the First and Second Coordination Spheres.","Journal of the American Chemical Society","2014","136","7","2699","2702","10.1021/ja410240c","","","0.71073","MoKα","","0.0552","0.0386","","","0.0995","0.1072","","","","","","1.056","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120502","10.1678","0.0003","11.9592","0.0003","15.8456","0.0003","92.0341","0.0018","96.166","0.002","108.703","0.002","1809.49","0.08","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H71 B4 F16 Fe2 N13 O4 S2 -","- C66 H71 B4 F16 Fe2 N13 O4 S2 -","- C66 H71 B4 F16 Fe2 N13 O4 S2 -","1","0.5","","Widger, Leland R.; Davies, Casey G.; Yang, Tzuhsiung; Siegler, Maxime A.; Troeppner, Oliver; Jameson, Guy N. L.; Ivanović-Burmazović, Ivana; Goldberg, David P.","Dramatically Accelerated Selective Oxygen-Atom Transfer by a Nonheme Iron(IV)-Oxo Complex: Tuning of the First and Second Coordination Spheres.","Journal of the American Chemical Society","2014","136","7","2699","2702","10.1021/ja410240c","","","0.71073","MoKα","","0.0543","0.0475","","","0.1232","0.1271","","","","","","1.05","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120503","25.4707","0.0003","9.98637","0.00013","25.8674","0.0003","90","","94.8579","0.0012","90","","6555.99","0.14","110","2","110","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 B Cl F4 Fe N6 O S -","- C32 H34 B Cl F4 Fe N6 O S -","- C256 H272 B8 Cl8 F32 Fe8 N48 O8 S8 -","8","1","","Widger, Leland R.; Davies, Casey G.; Yang, Tzuhsiung; Siegler, Maxime A.; Troeppner, Oliver; Jameson, Guy N. L.; Ivanović-Burmazović, Ivana; Goldberg, David P.","Dramatically Accelerated Selective Oxygen-Atom Transfer by a Nonheme Iron(IV)-Oxo Complex: Tuning of the First and Second Coordination Spheres.","Journal of the American Chemical Society","2014","136","7","2699","2702","10.1021/ja410240c","","","0.71073","MoKα","","0.0418","0.0317","","","0.0777","0.0817","","","","","","1.055","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120504","13.211","0.0031","15.162","0.004","3.3733","0.0006","90","","90","","90","","675.7","0.3","","","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C24 H4 N8 O4 S16 -","4","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","synchrotron","","","","","","","","0.30365","","2.57","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120505","12.8799","0.0024","14.888","0.004","3.2737","0.0005","90","","90","","90","","627.8","0.2","","","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C24 H4 N8 O4 S16 -","4","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","synchrotron","","","","","","","","0.71681","","2.01","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120506","13.001","0.0021","14.9086","0.003","2.99495","0.00029","90","","90","","90","","580.5","0.16","293","2","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C24 H4 N8 O4 S16 -","4","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","synchrotron","","","","","","","","0.28205","","2.07","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120507","13.0632","0.0024","14.9449","0.0033","3.02303","0.00028","90","","90","","90","","590.18","0.18","293","2","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C24 H4 N8 O4 S16 -","4","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","","","","","","","","","0.46085","","1.99","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120508","12.9187","0.0019","14.8422","0.0023","2.96191","0.00026","90","","90","","90","","567.92","0.13","293","2","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C24 H4 N8 O4 S16 -","4","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","synchrotron","","","","","","","","0.38714","","1.83","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120509","26.4363","0.0022","29.5785","0.0031","3.67284","0.00016","90","","90","","90","","2872","0.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","HBBO","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C96 H16 N32 O16 S64 -","16","1","","Wong, Joanne W. L.; Mailman, Aaron; Lekin, Kristina; Winter, Stephen M.; Yong, Wenjun; Zhao, Jianbao; Garimella, Subrahmanyam V.; Tse, John S.; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Borondics, Ferenc; Oakley, Richard T.","Pressure induced phase transitions and metallization of a neutral radical conductor.","Journal of the American Chemical Society","2014","136","3","1070","1081","10.1021/ja411057x","powder diffraction","x-ray","0.41337","synchrotron","","","","","","","","0.21687","","1.4","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120510","10.9396","0.0002","25.0618","0.0005","11.5197","0.0002","90","","101.477","0.0007","90","","3095.16","0.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 O3 -","- C34 H2 N2 O3 -","- C136 H8 N8 O12 -","4","1","","Aihara, Yoshinori; Chatani, Naoto","Nickel-Catalyzed Direct Arylation of C(sp(3))-H Bonds in Aliphatic Amides via Bidentate-Chelation Assistance.","Journal of the American Chemical Society","2014","136","3","898","901","10.1021/ja411715v","","","1.54187","CuKα","","","0.1038","","","","0.3605","","","","","","1.764","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120511","9.5916","0.0004","11.3171","0.0005","18.2254","0.0008","90","","90","","90","","1978.35","0.15","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O3 Si -","- C21 H32 O3 Si -","- C84 H128 O12 Si4 -","4","1","","Shvartsbart, Artem; Smith, 3rd, Amos B","Total synthesis of (-)-calyciphylline N.","Journal of the American Chemical Society","2014","136","3","870","873","10.1021/ja411539w","","","0.71073","MoKα","","0.0288","0.0278","","","0.0756","0.0762","","","","","","1.051","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120512","12.5154","0.0008","15.322","0.001","20.9097","0.001","90","","92.849","0.003","90","","4004.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CP3HFeBr","","","- C43 H61 Br Fe P3 -","- C43 H61 Br Fe P3 -","- C172 H244 Br4 Fe4 P12 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.188","0.0641","","","0.1145","0.1587","","","","","","0.963","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120513","10.8051","0.0003","15.4905","0.0005","20.738","0.0007","90","","90","","90","","3471.05","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CP3FeN2H","","","- C37 H55 Fe N2 P3 -","- C37 H55 Fe N2 P3 -","- C148 H220 Fe4 N8 P12 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.0306","0.0304","","","0.0776","0.0777","","","","","","1.059","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120514","19.4069","0.0005","19.4069","0.0005","47.9751","0.0017","90","","90","","120","","15648","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","CP3FeN2","","","- C37 H54 Fe N2 P3 -","- C37 H54 Fe N2 P3 -","- C666 H972 Fe18 N36 P54 -","18","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.0655","0.0624","","","0.1624","0.1672","","","","","","1.106","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120515","10.9229","0.0004","26.9376","0.001","17.6054","0.0007","90","","94.663","0.002","90","","5163","0.3","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","[CP3FeN2][K(Et2O)3]","","","- C49 H84 Fe K N2 O3 P3 -","- C49 H84 Fe K N2 O3 P3 -","- C196 H336 Fe4 K4 N8 O12 P12 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.0755","0.0438","","","0.0843","0.0949","","","","","","1.008","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120516","19.7846","0.0011","25.88","0.0014","26.6463","0.0013","90","","90","","90","","13643.6","1.3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","[CP3HFeN2]BArF","","","- C69 H66 B Cl0.12 F24 Fe N1.77 P3 -","- C69 H67 B Cl0.114 F24 Fe N1.772 P3 -","- C552 H536 B8 Cl0.912 F192 Fe8 N14.176 P24 -","8","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.1307","0.0832","","","0.2142","0.245","","","","","","1.021","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120517","39.338","0.002","12.186","0.0007","18.667","0.0011","90","","111.327","0.002","90","","8335.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CP3HFeI2","","","- C40.5 H59 Fe I2 P3 -","- C40.5 H59 Fe I2 P3 -","- C324 H472 Fe8 I16 P24 -","8","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.0397","0.0256","","","0.0462","0.0501","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120518","8.5123","0.0004","9.2231","0.0004","11.4204","0.0004","87.226","0.002","73.801","0.001","73.29","0.002","824.16","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H11 F6 N3 -","- C18 H11 F6 N3 -","- C36 H22 F12 N6 -","2","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.0932","0.0538","","","0.1368","0.1603","","","","","","1.022","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120519","13.2892","0.0012","18.1896","0.0017","18.2801","0.0017","90","","90","","90","","4418.8","0.7","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H28 Cl N4 Rh -","- C24 H28 Cl N4 Rh -","- C192 H224 Cl8 N32 Rh8 -","8","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.0759","0.0406","","","0.0913","0.1254","","","","","","1.177","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120520","11.3172","0.0004","11.5725","0.0004","13.2555","0.0005","93.226","0.002","106.108","0.002","118.872","0.002","1422.74","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H18 F12 N6 -","- C29 H18 F12 N6 -","- C58 H36 F24 N12 -","2","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.1333","0.0512","","","0.1157","0.1587","","","","","","1.027","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120521","9.0095","0.0003","10.2547","0.0003","11.5131","0.0004","92.175","0.002","110.319","0.002","102.609","0.002","965.9","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 F6 N3 -","- C21 H17 F6 N3 -","- C42 H34 F12 N6 -","2","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.0893","0.0591","","","0.1799","0.2112","","","","","","1.056","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120522","12.439","0.002","10.0614","0.0017","14.778","0.002","90","","104.288","0.004","90","","1792.3","0.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N6 O2 -","- C20 H18 N6 O2 -","- C80 H72 N24 O8 -","4","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.1122","0.0485","","","0.1117","0.1583","","","","","","0.863","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120523","12.1653","0.0009","10.6931","0.0008","25.5308","0.0019","90","","107.966","0.004","90","","3159.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","nd367","","","- C32 H50 B Ga N2 O -","- C32 H50 B Ga N2 O -","- C128 H200 B4 Ga4 N8 O4 -","4","1","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","A dimethylgallium boryl complex and its methyllithium addition compound.","Journal of the American Chemical Society","2014","136","3","886","889","10.1021/ja4117318","","","0.71073","MoKα","","0.0317","0.0255","","","0.0658","0.069","","","","","","1.029","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120524","19.5718","0.001","18.8267","0.0011","20.2279","0.001","90","","116.763","0.002","90","","6655","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H198 B4 Ga4 Li4 N8 -","- C134 H198 B4 Ga4 Li4 N8 -","- C268 H396 B8 Ga8 Li8 N16 -","2","0.5","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","A dimethylgallium boryl complex and its methyllithium addition compound.","Journal of the American Chemical Society","2014","136","3","886","889","10.1021/ja4117318","","","0.71073","MoKα","","0.0741","0.042","","","0.0816","0.0878","","","","","","0.942","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120525","18.7239","0.0006","14.7354","0.0005","20.3319","0.0008","90","","90","","90","","5609.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","nd190","","","- C28 H42 B Ga N2 -","- C28 H42 B Ga N2 -","- C224 H336 B8 Ga8 N16 -","8","1","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","A dimethylgallium boryl complex and its methyllithium addition compound.","Journal of the American Chemical Society","2014","136","3","886","889","10.1021/ja4117318","","","0.71073","MoKα","","0.0593","0.0475","","","0.099","0.1031","","","","","","1.22","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120526","10.3966","0.0008","6.3555","0.0004","21.0408","0.0016","90","","97.168","0.002","90","","1379.42","0.17","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","","Correa, Arkaitz; León, Thierry; Martin, Ruben","Ni-Catalyzed Carboxylation of C(sp(2))- and C(sp(3))-O Bonds with CO2.","Journal of the American Chemical Society","2014","136","3","1062","1069","10.1021/ja410883p","","","0.71073","MoKα","","0.0706","0.0606","","","0.1747","0.1842","","","","","","1.074","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120527","16.422","0.002","12.2868","0.0016","35.081","0.005","90","","93.898","0.008","90","","7062.1","1.6","91","2","91","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59.5 H74.5 B4 F16 Fe2 N17 O0.5 -","- C59.5 H74.5 B4 F16 Fe2 N17 O0.5 -","- C238 H298 B16 F64 Fe8 N68 O2 -","4","0.5","","Kulmaczewski, Rafal; Olguín, Juan; Kitchen, Jonathan A.; Feltham, Humphrey L. C.; Jameson, Guy N. L.; Tallon, Jeffery L.; Brooker, Sally","Remarkable Scan Rate Dependence for a Highly Constrained Dinuclear Iron(II) Spin Crossover Complex with a Wide Thermal Hysteresis Loop.","Journal of the American Chemical Society","2014","136","3","878","881","10.1021/ja411563x","","","0.71073","MoKα","","0.1724","0.1128","","","0.2793","0.3093","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120528","3.9163","0.0008","3.8953","0.0007","10.311","0.003","90","","90.788","0.008","90","","157.28","0.06","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- As2 Ca0.73 Fe Pr0.27 -","- As2 Ca0.73 Fe Pr0.2702 -","- As4 Ca1.46 Fe2 Pr0.5404 -","2","0.5","","Yakita, Hiroyuki; Ogino, Hiraku; Okada, Tomoyuki; Yamamoto, Akiyasu; Kishio, Kohji; Tohei, Tetsuya; Ikuhara, Yuichi; Gotoh, Yoshito; Fujihisa, Hiroshi; Kataoka, Kunimitsu; Eisaki, Hiroshi; Shimoyama, Jun-Ichi","A New Layered Iron Arsenide Superconductor: (Ca,Pr)FeAs2.","Journal of the American Chemical Society","2014","136","3","846","849","10.1021/ja410845b","","x-ray","0.71069","MoKα","","","0.116","","","0.157","","","","","6.15","6.15","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120529","34.7075","0.0009","11.0418","0.0003","15.8058","0.0004","90","","99.887","0.002","90","","5967.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Al Cl3 N4 -","- C30 H36 Al Cl3 N4 -","- C240 H288 Al8 Cl24 N32 -","8","1","","Chen, Wen-Ching; Lee, Ching-Yu; Lin, Bo-Chao; Hsu, Yu-Chen; Shen, Jiun-Shian; Hsu, Chao-Ping; Yap, Glenn P. A.; Ong, Tiow-Gan","The elusive three-coordinate dicationic hydrido boron complex.","Journal of the American Chemical Society","2014","136","3","914","917","10.1021/ja4120852","","","0.71073","MoKα","","0.0917","0.0548","","","0.1379","0.1558","","","","","","1.055","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120530","19.9987","0.0004","10.2339","0.0002","24.9466","0.0005","90","","90","","90","","5105.69","0.18","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C48 H69 B3 Cl4 N8 -","- C48 H69 B3 Cl4 N8 -","- C192 H276 B12 Cl16 N32 -","4","1","","Chen, Wen-Ching; Lee, Ching-Yu; Lin, Bo-Chao; Hsu, Yu-Chen; Shen, Jiun-Shian; Hsu, Chao-Ping; Yap, Glenn P. A.; Ong, Tiow-Gan","The elusive three-coordinate dicationic hydrido boron complex.","Journal of the American Chemical Society","2014","136","3","914","917","10.1021/ja4120852","","","","","","0.105","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120531","10.773","0.002","12.341","0.002","14.004","0.003","95.103","0.003","90.505","0.003","115.432","0.002","1672.5","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H41 Mn N3 P2 -","- C39 H41 Mn N3 P2 -","- C78 H82 Mn2 N6 P4 -","2","1","","Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","A highly active manganese precatalyst for the hydrosilylation of ketones and esters.","Journal of the American Chemical Society","2014","136","3","882","885","10.1021/ja4116346","","","0.71073","MoKα","","0.0641","0.0462","","","0.1163","0.1286","","","","","","1.014","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120532","16.954","0.0007","12.1473","0.0005","37.0711","0.0015","90","","100.276","0.001","90","","7512.2","0.5","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H45 Cl2 Mn N3 O0.5 P2 -","- C41 H45 Cl2 Mn N3 O0.5 P2 -","- C328 H360 Cl16 Mn8 N24 O4 P16 -","8","1","","Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","A highly active manganese precatalyst for the hydrosilylation of ketones and esters.","Journal of the American Chemical Society","2014","136","3","882","885","10.1021/ja4116346","","","0.71073","MoKα","","0.0581","0.0443","","","0.0939","0.1","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120533","10.8715","0.0007","10.844","0.0007","20.3372","0.0014","90","","97.983","0.001","90","","2374.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Ag5 F12 O11 -","- C11 H6 Ag5 F12 O11 -","- C44 H24 Ag20 F48 O44 -","4","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Synthesis of Unstable Carbides Ag2C2n (n = 3, 4) and Characterization via Crystallographic Analysis of Their Double Salts with Silver(I) Trifluoroacetate.","Journal of the American Chemical Society","2014","136","3","902","905","10.1021/ja412095y","","","0.71073","MoKα","","0.0935","0.0761","","","0.1902","0.2052","","","","","","1.055","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120534","15.1244","0.0018","22.255","0.003","26.642","0.003","102.224","0.002","97.582","0.002","108.848","0.002","8097.3","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C170 H150 Ag48 F96 O93 S29 -","- C170 H144 Ag48 F96 O93 S29 -","- C170 H144 Ag48 F96 O93 S29 -","1","0.5","","Hau, Sam C. K.; Mak, Thomas C. W.","Synthesis of Unstable Carbides Ag2C2n (n = 3, 4) and Characterization via Crystallographic Analysis of Their Double Salts with Silver(I) Trifluoroacetate.","Journal of the American Chemical Society","2014","136","3","902","905","10.1021/ja412095y","","","0.71073","MoKα","","0.1715","0.1072","","","0.2622","0.3001","","","","","","1.086","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120535","58.133","0.004","11.8141","0.0009","39.378","0.003","90","","129.787","0.001","90","","20782","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Ag15 F30 O30 S10 -","- C60 H60 Ag15 F30 O30 S10 -","- C480 H480 Ag120 F240 O240 S80 -","8","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Synthesis of Unstable Carbides Ag2C2n (n = 3, 4) and Characterization via Crystallographic Analysis of Their Double Salts with Silver(I) Trifluoroacetate.","Journal of the American Chemical Society","2014","136","3","902","905","10.1021/ja412095y","","","0.71073","MoKα","","0.1008","0.0803","","","0.2084","0.2266","","","","","","1.159","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120536","11.0932","0.0005","11.1066","0.0005","23.295","0.0011","84.295","0.002","89.308","0.002","78.559","0.002","2799.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H48 Cl O3 P2 Rh -","- C51 H48 Cl O3 P2 Rh -","- C102 H96 Cl2 O6 P4 Rh2 -","2","1","","Gellrich, Urs; Meißner, Antje; Steffani, Alberto; Kähny, Matthias; Drexler, Hans-Joachim; Heller, Detlef; Plattner, Dietmar A.; Breit, Bernhard","Mechanistic Investigations of the Rhodium Catalyzed Propargylic CH Activation.","Journal of the American Chemical Society","2014","136","3","1097","1104","10.1021/ja411204d","","","0.71073","MoKα","","0.0576","0.0416","","","0.092","0.0964","","","","","","1.043","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120537","8.0828","0.0004","8.9952","0.0006","21.181","0.0011","90","","90","","90","","1539.99","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","","Miura, Tomoya; Funakoshi, Yuuta; Murakami, Masahiro","Intramolecular Dearomatizing [3 + 2] Annulation of α-Imino Carbenoids with Aryl Rings Furnishing 3,4-Fused Indole Skeletons.","Journal of the American Chemical Society","2014","136","6","2272","2275","10.1021/ja412663a","","","0.71075","MoKα","","0.029","0.0284","","","0.0886","0.0902","","","","","","0.827","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120538","20.686","0.002","7.1818","0.0008","21.924","0.003","90","","116.008","0.003","90","","2927.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Au2 Cl2 O2 P2 -","- C28 H34 Au2 Cl2 O2 P2 -","- C112 H136 Au8 Cl8 O8 P8 -","4","1","","Cano, Israel; Chapman, Andrew M.; Urakawa, Atsushi; van Leeuwen, Piet W. N. M.","Air-stable gold nanoparticles ligated by secondary phosphine oxides for the chemoselective hydrogenation of aldehydes: crucial role of the ligand.","Journal of the American Chemical Society","2014","136","6","2520","2528","10.1021/ja411202h","","","0.71073","MoKα","","0.1036","0.088","","","0.1912","0.197","","","","","","1.273","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120539","8.2211","0.0009","7.344","0.0008","25.041","0.003","90.015","0.004","94.66","0.003","90.01","0.004","1506.9","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H38 O6 -","- C36 H38 O6 -","- C72 H76 O12 -","2","1","","Jin, Xu-Hui; Sheberla, Dennis; Shimon, Linda J. W.; Bendikov, Michael","Highly Coplanar Very Long Oligo(alkylfuran)s: A Conjugated System with Specific Head-To-Head Defect.","Journal of the American Chemical Society","2014","136","6","2592","2601","10.1021/ja411842g","","","0.71073","MoKα","","0.0886","0.0697","","","0.1969","0.2066","","","","","","1.073","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120540","7.1757","0.0017","8.249","0.002","28.018","0.007","90","","90","","90","","1658.5","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Br N O3 -","- C18 H20 Br N O3 -","- C72 H80 Br4 N4 O12 -","4","1","","Liu, Honglei; Wu, Yang; Zhao, Yan; Li, Zhen; Zhang, Lei; Yang, Wenjun; Jiang, Hui; Jing, Chengfeng; Yu, Hao; Wang, Bo; Xiao, Yumei; Guo, Hongchao","Metal-catalyzed [6 + 3] cycloaddition of tropone with azomethine ylides: a practical access to piperidine-fused bicyclic heterocycles.","Journal of the American Chemical Society","2014","136","6","2625","2629","10.1021/ja4122268","","","0.71073","MoKα","","0.0399","0.0376","","","0.0811","0.0825","","","","","","1.082","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120541","9.3032","0.0003","12.789","0.0004","14.7995","0.0005","90","","89.401","0.003","90","","1760.73","0.1","150.1","0.2","150.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ba4","","","- C19 H19 Cu N3 O3 -","- C19 H19 Cu N3 O3 -","- C76 H76 Cu4 N12 O12 -","4","1","","Tran, Ba L.; Li, Bijie; Driess, Matthias; Hartwig, John F.","Copper-catalyzed intermolecular amidation and imidation of unactivated alkanes.","Journal of the American Chemical Society","2014","136","6","2555","2563","10.1021/ja411912p","","","0.71073","MoKα","","0.0681","0.0472","","","0.0953","0.1031","","","","","","1.055","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120542","9.7344","0.0017","16.996","0.002","12.836","0.003","90","","110.84","0.02","90","","1984.7","0.7","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[(L1)Cu(NHSO2Ph)]","","","- C20 H24 Cu N3 O3 S -","- C20 H24 Cu N3 O3 S -","- C80 H96 Cu4 N12 O12 S4 -","4","1","","Tran, Ba L.; Li, Bijie; Driess, Matthias; Hartwig, John F.","Copper-catalyzed intermolecular amidation and imidation of unactivated alkanes.","Journal of the American Chemical Society","2014","136","6","2555","2563","10.1021/ja411912p","","x-ray","0.71073","MoKα","","0.1193","0.084","","","0.1589","0.1759","","","","","","1.172","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120543","22.361","0.0013","11.0125","0.0006","13.8061","0.0007","90","","104.314","0.002","90","","3294.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","HARTWIG36","hartwig36","","- C36 H28 Cu2 N6 O4 S2 -","- C36 H28 Cu2 N6 O4 S2 -","- C144 H112 Cu8 N24 O16 S8 -","4","0.5","","Tran, Ba L.; Li, Bijie; Driess, Matthias; Hartwig, John F.","Copper-catalyzed intermolecular amidation and imidation of unactivated alkanes.","Journal of the American Chemical Society","2014","136","6","2555","2563","10.1021/ja411912p","","","0.71073","MoKα","","0.0286","0.0242","","","0.0582","0.0604","","","","","","1.09","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4120544","10.7048","0.0009","10.895","0.0009","11.5387","0.001","80.925","0.003","68.386","0.002","64.219","0.002","1126.58","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BT1-282","hartwig24","","- C28 H16 Cu N4 O4 -","- C28 H16 Cu N4 O4 -","- C56 H32 Cu2 N8 O8 -","2","1","","Tran, Ba L.; Li, Bijie; Driess, Matthias; Hartwig, John F.","Copper-catalyzed intermolecular amidation and imidation of unactivated alkanes.","Journal of the American Chemical Society","2014","136","6","2555","2563","10.1021/ja411912p","","","1.54178","CuKα","","0.0254","0.0251","","","0.0659","0.0661","","","","","","1.043","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4120545","27.741","0.002","29.059","0.003","38.382","0.003","90","","106.309","0.004","90","","29696","4","293","2","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C115 H103 Cl45 I2 N6 O16 -","- C115 H103 Cl45 I2 N6 O16 -","- C920 H824 Cl360 I16 N48 O128 -","8","2","","Pochorovski, Igor; Knehans, Tim; Nettels, Daniel; Müller, Astrid M; Schweizer, W. Bernd; Caflisch, Amedeo; Schuler, Benjamin; Diederich, François","Experimental and Computational Study of BODIPY Dye-Labeled Cavitand Dynamics.","Journal of the American Chemical Society","2014","136","6","2441","2449","10.1021/ja4104292","","","0.71073","MoKα","","0.328","0.2248","","","0.5452","0.5843","","","","","","3.173","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120546","13.769","0.005","18.431","0.012","16.014","0.006","90","","109.913","0.005","90","","3821","3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C84 H112 S6 -","- C84 H112 S6 -","- C168 H224 S12 -","2","0.5","","Iyoda, Masahiko; Tanaka, Keita; Shimizu, Hideyuki; Hasegawa, Masashi; Nishinaga, Tohru; Nishiuchi, Tomohiko; Kunugi, Yoshihito; Ishida, Takayuki; Otani, Hiroyuki; Sato, Hiroyasu; Inukai, Koji; Tahara, Kazukuni; Tobe, Yoshito","Multifunctional π-Expanded Macrocyclic Oligothiophene 6-Mers and Related Macrocyclic Oligomers.","Journal of the American Chemical Society","2014","136","6","2389","2396","10.1021/ja4101744","","","0.71073","MoKα","","","0.0415","","","","0.0552","","","","","","0.87","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120547","13.536","0.003","13.731","0.003","13.837","0.003","117.032","0.002","106.648","0.002","95.35","0.002","2118.2","0.8","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C90 H118 S6 -","- C90 H118 S6 -","- C90 H118 S6 -","1","0.5","","Iyoda, Masahiko; Tanaka, Keita; Shimizu, Hideyuki; Hasegawa, Masashi; Nishinaga, Tohru; Nishiuchi, Tomohiko; Kunugi, Yoshihito; Ishida, Takayuki; Otani, Hiroyuki; Sato, Hiroyasu; Inukai, Koji; Tahara, Kazukuni; Tobe, Yoshito","Multifunctional π-Expanded Macrocyclic Oligothiophene 6-Mers and Related Macrocyclic Oligomers.","Journal of the American Chemical Society","2014","136","6","2389","2396","10.1021/ja4101744","","","0.71073","MoKα","","","0.0981","","","","0.3164","","","","","","1.019","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120548","14.5307","0.0013","16.0648","0.0014","26.561","0.002","99.03","0.007","90.771","0.006","107.277","0.008","5835.2","0.9","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C126 H168 S9 -","- C126 H168.01 S9 -","- C252 H336.02 S18 -","2","1","","Iyoda, Masahiko; Tanaka, Keita; Shimizu, Hideyuki; Hasegawa, Masashi; Nishinaga, Tohru; Nishiuchi, Tomohiko; Kunugi, Yoshihito; Ishida, Takayuki; Otani, Hiroyuki; Sato, Hiroyasu; Inukai, Koji; Tahara, Kazukuni; Tobe, Yoshito","Multifunctional π-Expanded Macrocyclic Oligothiophene 6-Mers and Related Macrocyclic Oligomers.","Journal of the American Chemical Society","2014","136","6","2389","2396","10.1021/ja4101744","","","1.54187","CuKα","","","0.236","","","","0.5506","","","","","","1.591","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120549","8.9637","0.0004","23.4452","0.001","14.728","0.0006","90","","92.17","0.001","90","","3093","0.2","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 F6 N2 O3 Rh S Sb -","- C28 H32 F6 N2 O3 Rh S Sb -","- C112 H128 F24 N8 O12 Rh4 S4 Sb4 -","4","1","","Park, Sae Hume; Kwak, Jaesung; Shin, Kwangmin; Ryu, Jaeyune; Park, Yoonsu; Chang, Sukbok","Mechanistic studies of the rhodium-catalyzed direct C-h amination reaction using azides as the nitrogen source.","Journal of the American Chemical Society","2014","136","6","2492","2502","10.1021/ja411072a","","","0.71073","MoKα","","0.0746","0.0409","","","0.073","0.1208","","","","","","1.163","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120550","24.728","0.004","10.6883","0.0016","28.583","0.004","90","","112.307","0.005","90","","6989.1","1.8","296","2","296","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cl2 F6 N2 O4 Rh S Sb -","- C30 H36 Cl2 F6 N2 O4 Rh S Sb -","- C240 H288 Cl16 F48 N16 O32 Rh8 S8 Sb8 -","8","1","","Park, Sae Hume; Kwak, Jaesung; Shin, Kwangmin; Ryu, Jaeyune; Park, Yoonsu; Chang, Sukbok","Mechanistic studies of the rhodium-catalyzed direct C-h amination reaction using azides as the nitrogen source.","Journal of the American Chemical Society","2014","136","6","2492","2502","10.1021/ja411072a","","","0.71073","MoKα","","0.087","0.0604","","","0.1804","0.2073","","","","","","1.019","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120551","9.48461","0.00003","13.47194","0.00006","5.773234","0.000018","90","","90","","90","","737.681","0.005","298","","298","","","","","","","","","5","A 21 a m","A -2 2a","36","","","","- Al Ba N5 O3 Si4 -","- Al Ba N5 O3 Si4 -","- Al4 Ba4 N20 O12 Si16 -","4","0.5","","Park, Woon Bae; Singh, Satendra Pal; Sohn, Kee-Sun","Discovery of a phosphor for light emitting diode applications and its structural determination, ba(si,al)5(o,n)8:eu(2+).","Journal of the American Chemical Society","2014","136","6","2363","2373","10.1021/ja409865c","powder diffraction","","1.5472","Synchrotron","","","","","","","","","3.1036","2.0716","","","","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120552","9.47791","0.00004","13.45426","0.00005","5.7694","0.00002","90","","90","","90","","735.704","0.005","298","","298","","","","","","","","","5","A 21 a m","A -2 2a","36","","","","- Al2 Ba N4 O4 Si3 -","- Al2 Ba N4 O4 Si3 -","- Al8 Ba4 N16 O16 Si12 -","4","0.5","","Park, Woon Bae; Singh, Satendra Pal; Sohn, Kee-Sun","Discovery of a phosphor for light emitting diode applications and its structural determination, ba(si,al)5(o,n)8:eu(2+).","Journal of the American Chemical Society","2014","136","6","2363","2373","10.1021/ja409865c","powder diffraction","","1.5472","Synchrotron","","","","","","","","","4.0537","2.0716","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120553","11.345","0.0011","5.1744","0.0005","17.219","0.0017","90","","91.318","0.002","90","","1010.55","0.17","15","2","15","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","2","","Blain, J. Craig; Ricardo, Alonso; Szostak, Jack W.","Synthesis and Nonenzymatic Template-Directed Polymerization of 2'-Amino-2'-deoxythreose Nucleotides.","Journal of the American Chemical Society","2014","136","5","2033","2039","10.1021/ja411950n","","","0.41328","synchrotron","","0.046","0.0378","","","0.0864","0.0919","","","","","","1.026","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120554","7.8864","0.0004","11.2704","0.0004","12.0597","0.0006","90","","90","","90","","1071.9","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N6 O3 -","- C9 H12 N6 O3 -","- C36 H48 N24 O12 -","4","1","","Blain, J. Craig; Ricardo, Alonso; Szostak, Jack W.","Synthesis and Nonenzymatic Template-Directed Polymerization of 2'-Amino-2'-deoxythreose Nucleotides.","Journal of the American Chemical Society","2014","136","5","2033","2039","10.1021/ja411950n","","","1.54178","CuKα","","0.0543","0.0455","","","0.1124","0.1183","","","","","","1.06","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120555","6.0761","0.0003","8.3926","0.0005","23.7433","0.0016","90","","90","","90","","1210.77","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H12 Br4 N2 Pb -","- C3 H12 Br4 N2 Pb -","- C12 H48 Br16 N8 Pb4 -","4","1","","Dohner, Emma R.; Hoke, Eric T.; Karunadasa, Hemamala I.","Self-assembly of broadband white-light emitters.","Journal of the American Chemical Society","2014","136","5","1718","1721","10.1021/ja411045r","","","0.71073","MoKα","","0.0517","0.0339","","","","0.0687","","","","","","1.036","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120556","8.3162","0.0004","8.3161","0.0003","20.1181","0.0009","90","","101.695","0.002","90","","1362.45","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[PbBr4](NMPDA)","","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C16 H56 Br16 N8 Pb4 -","4","1","","Dohner, Emma R.; Hoke, Eric T.; Karunadasa, Hemamala I.","Self-assembly of broadband white-light emitters.","Journal of the American Chemical Society","2014","136","5","1718","1721","10.1021/ja411045r","","","0.71073","","","0.0822","0.0755","","","0.1719","0.1748","","","","","","1.161","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120557","26.374","0.003","26.374","0.003","31.884","0.003","90","","90","","90","","22178","4","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C126 H156 F28 N44.56 O91.35 Pd6 -","- C126 H156 F28 N44.564 O91.348 Pd6 -","- C504 H624 F112 N178.256 O365.392 Pd24 -","4","0.25","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.1188","0.0774","","","0.226","0.2633","","","","","","1.028","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120558","26.059","0.002","26.059","0.002","31.879","0.003","90","","90","","90","","21648","3","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C124.8 H152.4 F8.4 N45.48 O85.02 Pd6 -","- C124.8 H152.4 F8.4 N45.484 O85.024 Pd6 -","- C499.2 H609.6 F33.6 N181.936 O340.096 Pd24 -","4","0.25","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.087","0.0689","","","0.1922","0.2206","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120559","26.037","0.002","26.037","0.002","31.484","0.003","90","","90","","90","","21344","3","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C126.8 H144 F16.78 N45.92 O78.76 Pd6 -","- C126.8 H144 F16.776 N45.92 O78.76 Pd6 -","- C507.2 H576 F67.104 N183.68 O315.04 Pd24 -","4","0.25","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.0866","0.0671","","","0.191","0.2163","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120560","24.284","0.003","24.306","0.003","24.636","0.003","115.99","0.001","90.625","0.002","119.371","0.001","10907","2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C256 H310.7 F56 N90.79 O173.83 Pd12 -","- C256 H310.7 F56 N90.786 O173.834 Pd12 -","- C256 H310.7 F56 N90.786 O173.834 Pd12 -","1","0.5","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.1267","0.0789","","","0.2119","0.2437","","","","","","0.999","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120561","25.941","0.005","25.941","0.005","31.667","0.006","90","","90","","90","","21310","7","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C268 H288 F40 N91.25 O168.2 Pd12 -","- C268 H288 F40 N91.256 O168.176 Pd12 -","- C536 H576 F80 N182.512 O336.352 Pd24 -","2","0.125","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.1317","0.0826","","","0.226","0.2562","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120562","25.93","0.003","25.93","0.003","31.605","0.003","90","","90","","90","","21250","4","90","2","90","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C132 H146.72 F20 N48.09 O85.32 Pd6 -","- C132 H146.72 F20 N48.092 O85.324 Pd6 -","- C528 H586.88 F80 N192.368 O341.296 Pd24 -","4","0.25","","Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto","Recognition of polyfluorinated compounds through self-aggregation in a cavity.","Journal of the American Chemical Society","2014","136","5","1786","1788","10.1021/ja412893c","","","0.71073","MoKα","","0.0925","0.066","","","0.1773","0.2036","","","","","","1.047","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120563","6.159","0.0003","9.1136","0.0005","25.9848","0.0013","90","","90","","90","","1458.54","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Gao, Fang; Carr, James L.; Hoveyda, Amir H.","A Broadly Applicable NHC-Cu-Catalyzed Approach for Efficient, Site-, and Enantioselective Coupling of Readily Accessible (Pinacolato)alkenylboron Compounds to Allylic Phosphates and Applications to Natural Product Synthesis.","Journal of the American Chemical Society","2014","136","5","2149","2161","10.1021/ja4126565","","","0.71073","MoKα","","0.0176","0.0168","","","0.0452","0.0455","","","","","","1.056","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120564","21.385","0.001","10.513","0.001","22.532","0.001","90","","107.59","0.02","90","","4828.8","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H74 Co2 F3 N2 O3 S -","- C51.5 H74 Co2 F3 N2 O3 S -","- C206 H296 Co8 F12 N8 O12 S4 -","4","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0581","0.0441","","","0.0867","0.0911","","","","","","1.127","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120565","25.322","0.002","25.322","0.002","10.553","0.002","90","","90","","90","","6766.6","1.5","100","2","100","2","","","","","","","","7","P -4","P -4","81","","","","- C64 H102 Cl6 Co2 Li N3 O -","- C64 H102 Cl6 Co2 Li N3 O -","- C256 H408 Cl24 Co8 Li4 N12 O4 -","4","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0462","0.033","","","0.0602","0.0643","","","","","","1.022","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120566","12.818","0.001","14.301","0.001","15.849","0.001","90.11","0.02","99.65","0.02","108.68","0.02","2708.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Cl3 Co N O -","- C24 H40 Cl3 Co N O -","- C96 H160 Cl12 Co4 N4 O4 -","4","2","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.035","0.0282","","","0.0668","0.0713","","","","","","1.047","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120567","9.683","0.002","11.794","0.002","19.932","0.002","104.34","0.02","95.28","0.02","105.55","0.02","2093.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H70 Cl Co N2 -","- C47 H70 Cl Co N2 -","- C94 H140 Cl2 Co2 N4 -","2","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0528","0.0392","","","0.0688","0.0736","","","","","","1.065","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120568","22.773","0.002","10.794","0.002","16.689","0.002","90","","90","","90","","4102.4","1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C47 H70 Co2 N2 -","- C47 H70 Co2 N2 -","- C188 H280 Co8 N8 -","4","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0273","0.0249","","","0.0551","0.056","","","","","","1.08","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120569","10.02","0.002","14.726","0.002","28.284","0.002","90","","90","","90","","4173.4","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H64 Cl4 Co N2 -","- C40 H64 Cl4 Co N2 -","- C160 H256 Cl16 Co4 N8 -","4","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0324","0.027","","","0.0581","0.0594","","","","","","1.03","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120570","12.87","0.0012","9.8433","0.0009","28.98","0.003","90","","90","","90","","3671.3","0.6","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C14 H15 Cl F3 N3 O3 Pt S -","- C14 H15 Cl F3 N3 O3 Pt S -","- C112 H120 Cl8 F24 N24 O24 Pt8 S8 -","8","1","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0284","0.0202","","","0.0398","0.0426","","","","","","1.116","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120571","22.1704","0.0019","12.2581","0.001","27.389","0.003","90","","110.716","0.001","90","","6962.2","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H28 F6 N8 O8 Pt S2 -","- C23.5 H28 F6 N8 O8 Pt S2 -","- C188 H224 F48 N64 O64 Pt8 S16 -","8","1","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0814","0.0619","","","0.1395","0.154","","","","","","1.265","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120572","11.8226","0.0007","4.9998","0.0003","23.0652","0.0013","90","","101.888","0.001","90","","1334.16","0.14","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl F3 N3 O3 Pt S -","- C6 H11 Cl F3 N3 O3 Pt S -","- C24 H44 Cl4 F12 N12 O12 Pt4 S4 -","4","1","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0155","0.0143","","","0.0365","0.0377","","","","","","1.158","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120573","24.6325","0.0009","11.4033","0.0004","19.3606","0.0007","90","","92.399","0.001","90","","5433.5","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 F6 N8 O7 Pt S2 -","- C13 H18 F6 N8 O7 Pt S2 -","- C104 H144 F48 N64 O56 Pt8 S16 -","8","1","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0279","0.0216","","","0.0456","0.0472","","","","","","1.042","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120574","5.4655","0.0003","6.9612","0.0004","7.6303","0.0005","79.842","0.0009","84.579","0.001","89.123","0.0009","284.48","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl2 N2 Pt -","- C10 H10 Cl2 N2 Pt -","- C10 H10 Cl2 N2 Pt -","1","0.5","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0128","0.0128","","","0.0301","0.0301","","","","","","1.047","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120575","16.7722","0.0002","20.9797","0.0006","23.1866","0.0003","89.038","0.004","72.648","0.003","81.321","0.005","7694.9","0.3","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C252 H332 Cl2 N10 O76 Rh2 -","- C252 H332 Cl2 N10 O76 Rh2 -","- C252 H332 Cl2 N10 O76 Rh2 -","1","1","","Masai, Hiroshi; Terao, Jun; Seki, Shu; Nakashima, Shigeto; Kiguchi, Manabu; Okoshi, Kento; Fujihara, Tetsuaki; Tsuji, Yasushi","Synthesis of One-Dimensional Metal-Containing Insulated Molecular Wire with Versatile Properties Directed toward Molecular Electronics Materials.","Journal of the American Chemical Society","2014","136","5","1742","1745","10.1021/ja411665k","","","0.7107","MoKα","","","0.0612","","","","0.1765","","","","","","1.048","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120576","9.9374","0.0009","10.7588","0.001","11.9358","0.0011","90","","109.122","0.002","90","","1205.7","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O5 S -","- C11 H13 N O5 S -","- C44 H52 N4 O20 S4 -","4","1","","Zhu, Haitao; Chen, Pinhong; Liu, Guosheng","Pd-catalyzed intramolecular aminohydroxylation of alkenes with hydrogen peroxide as oxidant and water as nucleophile.","Journal of the American Chemical Society","2014","136","5","1766","1769","10.1021/ja412023b","","","0.71073","MoKα","","0.0433","0.0384","","","0.1045","0.1095","","","","","","1.066","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120577","11.9493","0.0009","13.2285","0.0009","15.9117","0.0011","103.066","0.004","112.628","0.005","104.644","0.005","2093.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C88 H88 N16 O16 -","4","2","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.5418","CuKα","","0.081","0.0555","","","0.1373","0.1546","","","","","","1.012","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120578","13.922","0.003","22.269","0.005","30.117","0.006","90","","102.16","0.03","90","","9128","4","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H90 N12 O17 -","- C78 H90 N12 O17 -","- C312 H360 N48 O68 -","4","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.54178","CuKα","","0.1933","0.1732","","","0.4199","0.4539","","","","","","1.758","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120579","15.248","0.003","16.89","0.003","19.555","0.004","85.29","0.03","67.3","0.03","83.12","0.03","4609.1","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H101 Cl6 N12 O20 S -","- C87 H101 Cl6 N12 O20 S -","- C174 H202 Cl12 N24 O40 S2 -","2","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.54178","CuKα","","0.1689","0.1364","","","0.3537","0.3777","","","","","","1.337","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120580","12.784","0.002","14.385","0.002","15.914","0.002","112.032","0.004","99.694","0.005","98.655","0.003","2600","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H106 Cl12 N12 O22 -","- C94 H106 Cl12 N12 O22 -","- C94 H106 Cl12 N12 O22 -","1","0.5","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.54178","CuKα","","0.1","0.085","","","0.219","0.2366","","","","","","1.084","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120581","15.984","0.001","16.622","0.007","9.16","0.001","90","","90","","90","","2433.7","1.1","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H8.5 N3.5 O5 -","- C12 H8.5 N3.5 O5 -","- C96 H68 N28 O40 -","8","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.5418","CuKα","","0.0618","0.0507","","","0.1404","0.1518","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120582","7.442","0.001","12.755","0.002","18.706","0.001","74.31","0.009","82.691","0.006","76.12","0.011","1655.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O9 -","- C30 H38 N6 O9 -","- C60 H76 N12 O18 -","2","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","0.71073","MoKα","","0.0871","0.0504","","","0.1252","0.1464","","","","","","1.02","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120583","7.477","0.003","11.703","0.004","12.598","0.004","73.99","0.03","74.91","0.03","77.42","0.03","1010.3","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21.5 H21 N4 O4.5 -","- C21.5 H18 N4 O4.5 -","- C43 H36 N8 O9 -","2","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.5418","CuKα","","0.0901","0.0747","","","0.173","0.184","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120584","13.057","0.002","16.5987","0.0015","20.386","0.004","71.835","0.01","87.525","0.016","66.901","0.012","3845.6","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H41 Cl3 N6 O8 -","- C33 H41 Cl3 N6 O8 -","- C132 H164 Cl12 N24 O32 -","4","2","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","0.71073","MoKα","","0.113","0.0788","","","0.1802","0.2001","","","","","","1.057","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120585","21.202","0.004","15.209","0.003","24.506","0.005","90","","95.07","0.03","90","","7871","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 N6 O9 -","- C40 H46 N6 O9 -","- C320 H368 N48 O72 -","8","2","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.54178","CuKα","","0.1131","0.094","","","0.2776","0.3037","","","","","","1.14","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120586","7.434","0.004","21.865","0.006","12.827","0.003","90","","90.51","0.03","90","","2084.9","1.4","278","2","278","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N6 O9 -","- C20 H16 N6 O9 -","- C80 H64 N24 O36 -","4","1","","Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan","Aromatic Oligoamide β-Sheet Foldamers.","Journal of the American Chemical Society","2014","136","5","2168","2174","10.1021/ja412729s","","","1.5418","CuKα","","0.1004","0.0516","","","0.1121","0.1428","","","","","","1.026","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120587","10.1948","0.001","11.7506","0.0011","21.0907","0.0017","90","","90","","90","","2526.6","0.4","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","js11nov13","","","- C23 H38 N3 O6 -","- C23 H38 N3 O6 -","- C92 H152 N12 O24 -","4","1","","Carney, Daniel W.; Schmitz, Karl R.; Truong, Jonathan V.; Sauer, Robert T.; Sello, Jason K.","Restriction of the conformational dynamics of the cyclic acyldepsipeptide antibiotics improves their antibacterial activity.","Journal of the American Chemical Society","2014","136","5","1922","1929","10.1021/ja410385c","","","0.71073","","","0.0706","0.0577","","","0.1464","0.155","","","","","","1.031","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120588","10.083","0.017","11.513","0.019","20.46","0.03","90","","90","","90","","2375","7","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","js30jun11","","","- C21 H34 N3 O6 -","- C21 H34 N3 O6 -","- C84 H136 N12 O24 -","4","1","","Carney, Daniel W.; Schmitz, Karl R.; Truong, Jonathan V.; Sauer, Robert T.; Sello, Jason K.","Restriction of the conformational dynamics of the cyclic acyldepsipeptide antibiotics improves their antibacterial activity.","Journal of the American Chemical Society","2014","136","5","1922","1929","10.1021/ja410385c","","","0.71073","","","0.085","0.0711","","","0.1678","0.1825","","","","","","1.046","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120589","28.867","0.0001","28.867","0.0001","28.867","0.0001","90","","90","","90","","24055","0.14","123","2","123","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C48 H27 N0 O16 Zn4 -","- C48 H27 O16 Zn4 -","- C384 H216 O128 Zn32 -","8","0.333333","","Mo, Ke; Yang, Yuhua; Cui, Yong","A homochiral metal-organic framework as an effective asymmetric catalyst for cyanohydrin synthesis.","Journal of the American Chemical Society","2014","136","5","1746","1749","10.1021/ja411887c","","","1.54178","CuKα","","0.0955","0.0855","","","0.2286","0.2381","","","","","","1.072","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120590","12.2871","0.0002","12.2871","0.0002","46.554","0.0012","90","","90","","90","","7028.4","0.2","100","","100","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H16 Cu4 N4 O8 -","- C12 H16 Cu4 N4 O8 -","- C192 H256 Cu64 N64 O128 -","16","1","","Do, Hien-Quang; Bachman, Shoshana; Bissember, Alex C.; Peters, Jonas C.; Fu, Gregory C.","Photoinduced, copper-catalyzed alkylation of amides with unactivated secondary alkyl halides at room temperature.","Journal of the American Chemical Society","2014","136","5","2162","2167","10.1021/ja4126609","","","0.71073","MoKα","","0.0464","0.0332","","","0.0636","0.0677","","","","","","1.026","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120591","11.1038","0.0005","16.6839","0.0009","18.0283","0.0009","90","","107.125","0.004","90","","3191.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 I2 N2 Ni O -","- C35 H32 I2 N2 Ni O -","- C140 H128 I8 N8 Ni4 O4 -","4","1","","Wiedemann, Thomas; Voit, Gregor; Tchernook, Alexandra; Roesle, Philipp; Göttker-Schnetmann, Inigo; Mecking, Stefan","Monofunctional hyperbranched ethylene oligomers.","Journal of the American Chemical Society","2014","136","5","2078","2085","10.1021/ja411945n","","","0.71073","MoKα","","0.0538","0.0346","","","0.0755","0.0804","","","","","","1.049","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120592","12.4874","0.0006","14.509","0.0007","32.8803","0.0015","90","","95.954","0.002","90","","5925.1","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H35 B2 F30 O2 P -","- C63 H35 B2 F30 O2 P -","- C252 H140 B8 F120 O8 P4 -","4","1","","Xu, Tieqi; Chen, Eugene Y.-X.","Probing site cooperativity of frustrated phosphine/borane lewis pairs by a polymerization study.","Journal of the American Chemical Society","2014","136","5","1774","1777","10.1021/ja412445n","","","0.71073","MoKα","","0.0796","0.0613","","","0.1302","0.138","","","","","","1.155","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120593","15.3537","0.0006","9.0513","0.0003","16.4471","0.0006","90","","114","0.002","90","","2088.06","0.14","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Au I2 P -","- C22 H16 Au I2 P -","- C88 H64 Au4 I8 P4 -","4","1","","Guenther, Johannes; Mallet-Ladeira, Sonia; Estevez, Laura; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Activation of Aryl Halides at Gold(I): Practical Synthesis of (P,C) Cyclometalated Gold(III) Complexes.","Journal of the American Chemical Society","2014","136","5","1778","1781","10.1021/ja412432k","","x-ray","0.71073","MoKα","","0.0484","0.0374","","","0.0902","0.0953","","","","","","1.03","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120594","15.6992","0.0009","11.3526","0.0006","16.8558","0.001","90","","107.469","0.002","90","","2865.6","0.3","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Au Br2 P2 -","- C32 H27 Au Br2 P2 -","- C128 H108 Au4 Br8 P8 -","4","1","","Guenther, Johannes; Mallet-Ladeira, Sonia; Estevez, Laura; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Activation of Aryl Halides at Gold(I): Practical Synthesis of (P,C) Cyclometalated Gold(III) Complexes.","Journal of the American Chemical Society","2014","136","5","1778","1781","10.1021/ja412432k","","x-ray","0.71073","MoKα","","0.0311","0.0226","","","0.0461","0.0487","","","","","","1.006","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120595","8.6523","0.0012","45.28","0.006","15.178","0.002","90","","95.053","0.004","90","","5923.3","1.4","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Au Cl2 P -","- C22 H16 Au Cl2 P -","- C264 H192 Au12 Cl24 P12 -","12","3","","Guenther, Johannes; Mallet-Ladeira, Sonia; Estevez, Laura; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Activation of Aryl Halides at Gold(I): Practical Synthesis of (P,C) Cyclometalated Gold(III) Complexes.","Journal of the American Chemical Society","2014","136","5","1778","1781","10.1021/ja412432k","","x-ray","0.71073","MoKα","","0.0522","0.0437","","","0.0921","0.0949","","","","","","1.195","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120596","15.8638","0.0008","11.7729","0.0006","18.0265","0.0009","90","","98.615","0.001","90","","3328.7","0.3","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cl2 Fe N4 O6 P2 -","- C28 H46 Cl2 Fe N4 O6 P2 -","- C112 H184 Cl8 Fe4 N16 O24 P8 -","4","1","","Klepser, Benjamin M.; Bartlett, Bart M.","Anchoring a Molecular Iron Catalyst to Solar-Responsive WO3 Improves the Rate and Selectivity of Photoelectrochemical Water Oxidation.","Journal of the American Chemical Society","2014","136","5","1694","1697","10.1021/ja4086808","","","0.71073","MoKα","","0.0785","0.0441","","","0.0935","0.1075","","","","","","1.002","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120597","14.238","0.004","18.939","0.005","19.681","0.005","104.533","0.006","96.912","0.008","94.763","0.004","5064","2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H103 D16 N15 O13 Pd Pt -","- C101 H119 N15 O13 Pd Pt -","- C202 H238 N30 O26 Pd2 Pt2 -","2","1","","Beves, Jonathon E.; Blanco, Victor; Blight, Barry A.; Carrillo, Romen; D'Souza, Daniel M; Howgego, David; Leigh, David A.; Slawin, Alexandra M. Z.; Symes, Mark D.","Toward Metal Complexes That Can Directionally Walk Along Tracks: Controlled Stepping of a Molecular Biped with a Palladium(II) Foot.","Journal of the American Chemical Society","2014","136","5","2094","2100","10.1021/ja4123973","","","0.71075","MoKα","","0.1292","0.1041","","","0.2988","0.3374","","","","","","1.231","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120598","9.245","0.0006","12.5597","0.0008","18.4751","0.0012","90","","98.724","0.001","90","","2120.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","FeCo","","","- C21 H24 Cl Co1.04 Fe0.96 N7 -","- C21 H24 Cl Co1.041 Fe0.959 N7 -","- C84 H96 Cl4 Co4.164 Fe3.836 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.41328","synchrotron","","0.0501","0.0389","","","0.1049","0.1125","","","","","","1.022","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120599","9.3012","0.0008","12.4519","0.0011","18.5177","0.0016","90","","98.632","0.002","90","","2120.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MnCo","","","- C21 H24 Cl Co0.998 Mn1.002 N7 -","- C21 H24 Cl Co0.998 Mn1.002 N7 -","- C84 H96 Cl4 Co3.992 Mn4.008 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.41328","synchrotron","","0.0646","0.0355","","","0.114","0.1363","","","","","","0.977","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120600","9.3327","0.0009","12.4574","0.0012","18.4915","0.0019","90","","98.5268","0.0015","90","","2126.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MnFe","","","- C21 H24 Cl Fe0.955 Mn1.05 N7 -","- C21 H24 Cl Fe0.957 Mn1.043 N7 -","- C84 H96 Cl4 Fe3.828 Mn4.172 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.41328","synchrotron","","0.0609","0.0379","","","0.088","0.095","","","","","","0.949","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120601","9.5866","0.0007","14.8453","0.0011","14.9574","0.0011","90","","90","","90","","2128.7","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(PPL)CoCoCl","","","- C21 H24 Cl Co2 N7 -","- C21 H24 Cl Co2 N7 -","- C84 H96 Cl4 Co8 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.0196","0.0186","","","0.0477","0.0483","","","","","","1.009","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120602","9.245","0.0006","12.5597","0.0008","18.4751","0.0012","90","","98.724","0.001","90","","2120.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(PPL)CoFeCl","","","- C21 H24 Cl Co Fe N7 -","- C21 H24 Cl Co Fe N7 -","- C84 H96 Cl4 Co4 Fe4 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.0252","0.0226","","","0.0591","0.0607","","","","","","1.038","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120603","9.3125","0.0007","12.5159","0.0009","18.574","0.0014","90","","98.631","0.001","90","","2140.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(PPL)CoMnCl","","","- C21 H24 Cl Co Mn N7 -","- C21 H24 Cl Co Mn N7 -","- C84 H96 Cl4 Co4 Mn4 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.0417","0.0297","","","0.0645","0.0695","","","","","","1.028","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120604","9.206","0.003","12.673","0.003","18.423","0.005","90","","100.544","0.003","90","","2113.1","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(PPL)FeFeCl","","","- C21 H24 Cl Fe2 N7 -","- C21 H24 Cl Fe2 N7 -","- C84 H96 Cl4 Fe8 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.0275","0.0234","","","0.066","0.0689","","","","","","1.006","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120605","9.3535","0.0004","12.5109","0.0005","18.5566","0.0008","90","","98.5002","0.0004","90","","2147.65","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(PPL)FeMnCl","","","- C21 H24 Cl Fe Mn N7 -","- C21 H24 Cl Fe Mn N7 -","- C84 H96 Cl4 Fe4 Mn4 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.0341","0.0265","","","0.0622","0.0659","","","","","","1.044","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120606","12.955","0.002","16.21","0.003","21.245","0.003","90","","106.123","0.002","90","","4286","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KCo(py3tren)","","","- C21 H24 Co K N7 -","- C21 H24 Co K N7 -","- C168 H192 Co8 K8 N56 -","8","2","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.1318","0.0626","","","0.1346","0.1667","","","","","","0.939","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120607","10.1666","0.0004","13.8647","0.0006","19.1051","0.0008","95.982","0.002","103.95","0.002","96.87","0.002","2569.95","0.19","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H75 Ge N O2 Si -","- C58 H75 Ge N O2 Si -","- C116 H150 Ge2 N2 O4 Si2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.","Journal of the American Chemical Society","2014","136","8","3028","","10.1021/ja5006477","","","0.71073","MoKα","","0.0627","0.0483","","","0.1237","0.1315","","","","","","1.051","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120608","10.2694","0.0007","15.7032","0.0012","28.1381","0.0019","90","","97.545","0.007","90","","4498.3","0.6","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H67 Ge N O Si -","- C51 H67 Ge N O Si -","- C204 H268 Ge4 N4 O4 Si4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.","Journal of the American Chemical Society","2014","136","8","3028","","10.1021/ja5006477","","","0.71073","MoKα","","0.1284","0.0615","","","0.1403","0.1784","","","","","","1.056","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120609","10.3523","0.0005","14.1047","0.0007","15.535","0.0007","93.82","0.004","95.712","0.004","107.061","0.004","2146.79","0.19","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H61 N O Si Sn -","- C48 H61 N O Si Sn -","- C96 H122 N2 O2 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.","Journal of the American Chemical Society","2014","136","8","3028","","10.1021/ja5006477","","","0.71073","MoKα","","0.058","0.0511","","","0.1423","0.1458","","","","","","1.156","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120610","10.2642","0.0014","15.679","0.004","28.312","0.004","90","","98.491","0.013","90","","4506.4","1.5","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H67 N O Si Sn -","- C51 H67 N O Si Sn -","- C204 H268 N4 O4 Si4 Sn4 -","4","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.","Journal of the American Chemical Society","2014","136","8","3028","","10.1021/ja5006477","","","0.71073","MoKα","","0.1283","0.059","","","0.114","0.1489","","","","","","1.044","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120611","10.2677","0.0011","13.953","0.0013","19.249","0.002","95.626","0.008","104.476","0.009","97.307","0.008","2624.2","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H75 N O2 Si Sn -","- C58 H75 N O2 Si Sn -","- C116 H150 N2 O4 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron","Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.","Journal of the American Chemical Society","2014","136","8","3028","","10.1021/ja5006477","","","0.71073","MoKα","","0.155","0.0793","","","0.1564","0.2053","","","","","","0.989","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120612","12.3645","0.0005","11.5922","0.0005","12.7948","0.0005","90","","112.031","0.0007","90","","1699.99","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 F6 N2 Si -","- C12 H32 F6 N2 Si -","- C48 H128 F24 N8 Si4 -","4","0.5","","Senaweera, Sameera M.; Singh, Anuradha; Weaver, Jimmie D.","Photocatalytic Hydrodefluorination: Facile Access to Partially Fluorinated Aromatics.","Journal of the American Chemical Society","2014","136","8","3002","","10.1021/ja500031m","","","0.71073","MoKα","","0.0329","0.0304","","","0.0854","0.0879","","","","","","1.008","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4120613","17.4249","0.0004","17.4249","0.0004","16.3359","0.0004","90","","90","","90","","4960","0.2","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C50 H72 Ir2 O P4 -","- C50 H72 Ir2 O P4 -","- C200 H288 Ir8 O4 P16 -","4","0.25","","Burford, Richard J.; Piers, Warren E.; Ess, Daniel H.; Parvez, Masood","Reversible Interconversion Between a Monomeric Iridium Hydroxo and a Dinuclear Iridium μ-Oxo Complex.","Journal of the American Chemical Society","2014","136","8","3256","","10.1021/ja412650s","","","0.71073","MoKα","","0.0321","0.0255","","","0.0539","0.0586","","","","","","1.115","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120614","8.7034","0.0011","9.0617","0.0012","16.353","0.002","102.348","0.0016","97.179","0.0016","102.277","0.0016","1211.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O2.08 -","- C30 H37 N O2.08 -","- C60 H74 N2 O4.16 -","2","1","","Goetz, Adam E.; Silberstein, Amanda L.; Corsello, Michael A.; Garg, Neil K.","Concise Enantiospecific Total Synthesis of Tubingensin A.","Journal of the American Chemical Society","2014","136","8","3036","","10.1021/ja501142e","","","0.71073","MoKα","","0.0861","0.0564","","","0.1352","0.1505","","","","","","1.054","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120615","8.6644","0.0013","8.6644","0.0013","7.1068","0.0014","90","","90","","120","","462.04","0.13","298","2","298","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Al7.62 Au13.38 Sr3 -","- Al7.62 Au13.38 Sr3 -","- Al7.62 Au13.38 Sr3 -","1","0.0833333","","Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.","Turning Gold into ""Diamond"": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System.","Journal of the American Chemical Society","2014","136","8","3108","","10.1021/ja411150e","","","0.71073","MoKα","","0.0206","0.0194","","","0.043","0.0433","","","","","","1.085","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120616","8.633","0.0013","8.633","0.0013","7.0832","0.0016","90","","90","","120","","457.18","0.14","298","2","298","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Al8.81 Au12.19 Sr3 -","- Al8.808 Au12.192 Sr3 -","- Al8.808 Au12.192 Sr3 -","1","0.0833333","","Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.","Turning Gold into ""Diamond"": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System.","Journal of the American Chemical Society","2014","136","8","3108","","10.1021/ja411150e","","","0.71073","MoKα","","0.0257","0.0239","","","0.052","0.0529","","","","","","1.154","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120617","8.9424","0.0011","7.232","0.0004","9.9182","0.0014","90","","90","","90","","641.42","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al1.95 Au5.05 Sr -","- Al1.948 Au5.052 Sr -","- Al7.792 Au20.208 Sr4 -","4","0.5","","Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.","Turning Gold into ""Diamond"": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System.","Journal of the American Chemical Society","2014","136","8","3108","","10.1021/ja411150e","","","0.71073","MoKα","","0.0223","0.0193","","","0.0448","0.0457","","","","","","1.121","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120618","14.956","0.004","8.5641","0.0019","8.6718","0.001","90","","123.86","0.007","90","","922.3","0.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Al1.67 Au7.33 Sr2 -","- Al1.676 Au7.324 Sr2 -","- Al6.704 Au29.296 Sr8 -","4","0.5","","Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.","Turning Gold into ""Diamond"": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System.","Journal of the American Chemical Society","2014","136","8","3108","","10.1021/ja411150e","","","0.71073","MoKα","","0.0583","0.0469","","","0.1035","0.1076","","","","","","1.172","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120619","8.4475","0.0012","8.4475","0.0012","21.735","0.004","90","","90","","120","","1343.2","0.4","298","2","298","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al2.82 Au6.18 Sr2 -","- Al2.817 Au6.183 Sr2 -","- Al16.902 Au37.098 Sr12 -","6","0.166667","","Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.","Turning Gold into ""Diamond"": A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr-Al-Au System.","Journal of the American Chemical Society","2014","136","8","3108","","10.1021/ja411150e","","","0.71073","MoKα","","0.0515","0.0449","","","0.0981","0.1003","","","","","","1.178","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120620","13.9757","0.001","14.2207","0.0012","7.494","0.0006","90","","97.598","0.008","90","","1476.3","0.2","180","0.1","180","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Xia, Ying; Liu, Zhenxing; Liu, Zhen; Ge, Rui; Ye, Fei; Hossain, Mohammad; Zhang, Yan; Wang, Jianbo","Formal Carbene Insertion into C-C Bond: Rh(I)-Catalyzed Reaction of Benzocyclobutenols with Diazoesters.","Journal of the American Chemical Society","2014","136","8","3013","","10.1021/ja500118w","","","0.7107","MoKα","","0.0633","0.0441","","","0.1044","0.1171","","","","","","1.065","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120621","10.7148","0.0006","10.3476","0.0006","17.2186","0.0012","90","","97.936","0.006","90","","1890.8","0.2","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","1","","Xia, Ying; Liu, Zhenxing; Liu, Zhen; Ge, Rui; Ye, Fei; Hossain, Mohammad; Zhang, Yan; Wang, Jianbo","Formal Carbene Insertion into C-C Bond: Rh(I)-Catalyzed Reaction of Benzocyclobutenols with Diazoesters.","Journal of the American Chemical Society","2014","136","8","3013","","10.1021/ja500118w","","","0.7107","MoKα","","0.0711","0.0503","","","0.1071","0.1211","","","","","","1.062","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120622","11.7262","0.0005","10.4463","0.0004","14.7106","0.0007","90","","106.804","0.005","90","","1725.04","0.14","289.94","0.1","289.94","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Xia, Ying; Liu, Zhenxing; Liu, Zhen; Ge, Rui; Ye, Fei; Hossain, Mohammad; Zhang, Yan; Wang, Jianbo","Formal Carbene Insertion into C-C Bond: Rh(I)-Catalyzed Reaction of Benzocyclobutenols with Diazoesters.","Journal of the American Chemical Society","2014","136","8","3013","","10.1021/ja500118w","","","1.5418","CuKα","","0.0465","0.0395","","","0.1074","0.1145","","","","","","1.033","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120623","7.7727","0.0004","10.1494","0.0006","24.4112","0.0014","90","","90","","90","","1925.76","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CS-16069","hartwig45","","- C24 H22 Br N -","- C24 H22 Br N -","- C96 H88 Br4 N4 -","4","1","","Sevov, Christo S.; Zhou, Jianrong Steve; Hartwig, John F.","Iridium-Catalyzed, Intermolecular Hydroamination of Unactivated Alkenes with Indoles.","Journal of the American Chemical Society","2014","136","8","3200","","10.1021/ja412116d","","","0.71073","MoKα","","0.021","0.0194","","","0.0469","0.0477","","","","","","1.077","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4120624","8.306","0.005","6.569","0.004","21.01","0.011","90","","100.631","0.006","90","","1126.7","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C56 H60 N4 O6 -","2","1","","Lee, Kiyoun; Boger, Dale L.","Total Syntheses of (-)-Kopsifoline D and (-)-Deoxoapodine: Divergent Total Synthesis via Late-Stage Key Strategic Bond Formation.","Journal of the American Chemical Society","2014","136","8","3312","","10.1021/ja500548e","","","0.71073","MoKα","","0.1212","0.0675","","","0.1629","0.18","","","","","","0.872","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120625","6.6931","0.0009","18.67","0.002","18.714","0.002","90","","90","","90","","2338.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O2 S -","- C28 H30 N2 O2 S -","- C112 H120 N8 O8 S4 -","4","1","","Lee, Kiyoun; Boger, Dale L.","Total Syntheses of (-)-Kopsifoline D and (-)-Deoxoapodine: Divergent Total Synthesis via Late-Stage Key Strategic Bond Formation.","Journal of the American Chemical Society","2014","136","8","3312","","10.1021/ja500548e","","","0.71073","MoKα","","0.2126","0.0641","","","0.1202","0.1855","","","","","","0.856","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120626","7.7075","0.0003","12.7478","0.0006","25.5515","0.0011","90","","90","","90","","2510.53","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H0 N2 O4 -","- C29 H32 N2 O7 -","- C116 H128 N8 O28 -","4","1","","Lee, Kiyoun; Boger, Dale L.","Total Syntheses of (-)-Kopsifoline D and (-)-Deoxoapodine: Divergent Total Synthesis via Late-Stage Key Strategic Bond Formation.","Journal of the American Chemical Society","2014","136","8","3312","","10.1021/ja500548e","","","1.54178","CuKα","","0.0377","0.0366","","","0.0966","0.0976","","","","","","1.058","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120627","9.7575","0.0017","10.35","0.0018","11.999","0.002","90","","111.993","0.004","90","","1123.6","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 N2 O3 S -","- C27 H23 N2 O3 S -","- C54 H46 N4 O6 S2 -","2","1","","Gawade, Sagar Ashok; Huple, Deepak B.; Liu, Rai-Shung","Zn(II)- or Ag(I)-Catalyzed 1,4-Metathesis Reactions between 3-En-1-ynamides and Nitrosoarenes.","Journal of the American Chemical Society","2014","136","8","2978","","10.1021/ja412634w","","","0.71073","MoKα","","0.0697","0.0455","","","0.0858","0.0939","","","","","","1.007","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120628","10.4594","0.0011","11.0607","0.0012","18.1995","0.0019","77.313","0.005","85.045","0.005","63.691","0.005","1841.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Complex 2.OEt2","","","- C37 H59.5 N3.5 Nb O0.5 -","- C37 H59.66 N3.34 Nb O0.66 -","- C74 H119.32 N6.68 Nb2 O1.32 -","2","1","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0516","0.0415","","","0.0979","0.1033","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120629","12.5538","0.0012","16.438","0.0016","19.6288","0.0019","89.171","0.002","80.656","0.001","88.005","0.001","3994.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Complex 3","","","- C36 H59 N6 Nb Si -","- C36 H59 N6 Nb Si -","- C144 H236 N24 Nb4 Si4 -","4","2","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0504","0.0433","","","0.0965","0.0999","","","","","","1.142","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120630","24.042","0.003","18.1865","0.0019","17.3262","0.0017","90","","90","","90","","7575.7","1.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Complex 4","","","- C37 H59 N6 Nb -","- C37 H59 N6 Nb -","- C296 H472 N48 Nb8 -","8","2","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0641","0.0454","","","0.0976","0.1065","","","","","","1.032","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120631","12.7024","0.0006","21.4305","0.001","13.6706","0.0006","90","","93.776","0.002","90","","3713.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Complex 5","","","- C37 H59 N4 Nb -","- C37 H59 N4 Nb -","- C148 H236 N16 Nb4 -","4","1","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.03","0.0269","","","0.064","0.0655","","","","","","1.07","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120632","11.1687","0.0004","17.714","0.0006","19.7346","0.0007","105.313","0.002","102.083","0.002","98.673","0.002","3593.3","0.2","76","2","76","2","","","","","","","","4","P -1","-P 1","2","Complex 6","","","- C37 H59 N4 Nb -","- C37 H59 N4 Nb -","- C148 H236 N16 Nb4 -","4","2","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0402","0.031","","","0.0684","0.0732","","","","","","1.071","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120633","11.4761","0.0008","17.2593","0.0012","21.9265","0.0014","90","","94.514","0.004","90","","4329.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Complex 7","","","- C45 H67 N4 Nb -","- C45 H67 N4 Nb -","- C180 H268 N16 Nb4 -","4","1","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0314","0.0257","","","0.0619","0.065","","","","","","1.044","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120634","12.1424","0.001","22.102","0.0019","15.9149","0.0013","90","","92.287","0.005","90","","4267.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Complex 8","","","- C45 H67 N4 Nb -","- C45 H67 N4 Nb -","- C180 H268 N16 Nb4 -","4","1","","Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John","Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.","Journal of the American Chemical Society","2014","136","8","2994","","10.1021/ja413194z","","","0.71073","MoKα","","0.0832","0.0529","","","0.0998","0.1148","","","","","","1.029","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120635","8.5881","0.0001","20.1695","0.0002","19.1928","0.0002","90","","92.38","0.001","90","","3321.66","0.06","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H34 B F10 P -","- C37.5 H34 B F10 P -","- C150 H136 B4 F40 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","1.54178","CuKα","","0.0573","0.0457","","","0.1297","0.1411","","","","","","1.005","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120636","11.3351","0.0006","11.4675","0.0004","17.6404","0.0005","87.588","0.004","77.145","0.003","61.359","0.003","1956.39","0.15","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H29 P -","- C22 H29 P -","- C88 H116 P4 -","4","2","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","1.54178","CuKα","","0.0509","0.0472","","","0.1294","0.1339","","","","","","1.066","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120637","14.7877","0.0006","14.8191","0.0015","18.9752","0.0016","90","","92.799","0.003","90","","4153.3","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H44 B F10 P -","- C44.5 H44 B F10 P -","- C178 H176 B4 F40 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","1.54178","CuKα","","0.1165","0.0679","","","0.1708","0.2075","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120638","10.2513","0.0002","10.7475","0.0002","14.2965","0.0003","91.802","0.001","101.483","0.001","93.419","0.001","1539.34","0.05","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 B F10 O P -","- C34 H30 B F10 O P -","- C68 H60 B2 F20 O2 P2 -","2","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0675","0.0643","","","0.185","0.1876","","","","","","1.063","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120639","11.0386","0.0002","10.5787","0.0002","13.2111","0.0002","90","","95.315","0.001","90","","1536.08","0.05","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H22 B F10 Fe P -","- C36 H22 B F10 Fe P -","- C72 H44 B2 F20 Fe2 P2 -","2","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0293","0.0286","","","0.0769","0.0783","","","","","","1.013","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120640","11.3753","0.0002","14.52","0.0002","17.6399","0.0003","90","","90","","90","","2913.57","0.08","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H41 Fe O3 P -","- C34 H41 Fe O3 P -","- C136 H164 Fe4 O12 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0455","0.0423","","","0.1","0.1034","","","","","","1.082","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120641","7.88","0.0001","9.68","0.0002","16.237","0.0003","90","","101.258","0.001","90","","1214.7","0.04","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H31 Fe O P -","- C29 H31 Fe O P -","- C58 H62 Fe2 O2 P2 -","2","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.028","0.0277","","","0.0724","0.073","","","","","","1.064","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120642","10.092","0.0002","15.3552","0.0003","16.1914","0.0003","90","","90","","90","","2509.1","0.08","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Fe P -","- C30 H33 Fe P -","- C120 H132 Fe4 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0476","0.044","","","0.107","0.1115","","","","","","1.098","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120643","8.8458","0.0002","20.3854","0.0003","24.0753","0.0006","90","","90","","90","","4341.38","0.16","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H46 B F10 Fe P -","- C47 H46 B F10 Fe P -","- C188 H184 B4 F40 Fe4 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.1194","0.084","","","0.1447","0.1666","","","","","","1.159","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120644","8.8713","0.0002","9.5648","0.0001","49.7807","0.0007","90","","90","","90","","4224","0.12","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H39 B F10 Fe N P -","- C47 H39 B F10 Fe N P -","- C188 H156 B4 F40 Fe4 N4 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0737","0.0586","","","0.1278","0.1394","","","","","","1.045","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120645","9.9126","0.0001","26.8254","0.0003","49.04","0.0006","90","","90","","90","","13040.2","0.3","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H43 B F10 Fe N P -","- C47 H43 B F10 Fe N P -","- C564 H516 B12 F120 Fe12 N12 P12 -","12","3","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.1361","0.0817","","","0.1459","0.1747","","","","","","1.054","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120646","11.5309","0.0001","18.6255","0.0002","23.0996","0.0004","90","","90","","90","","4961.07","0.11","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H50 B F10 Fe P -","- C58 H50 B F10 Fe P -","- C232 H200 B4 F40 Fe4 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0692","0.0594","","","0.1194","0.1276","","","","","","1.062","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120647","10.8786","0.001","12.5301","0.001","22.1389","0.0018","90","","98.988","0.005","90","","2980.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 N4 -","- C38 H40 N4 -","- C152 H160 N16 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1686","0.0686","","","0.1331","0.1755","","","","","","0.999","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120648","19.9123","0.0012","11.0521","0.0007","19.7629","0.0012","90","","103.857","0.001","90","","4222.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Cl F10 N6 -","- C44 H45 Cl F10 N6 -","- C176 H180 Cl4 F40 N24 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1068","0.0559","","","0.1148","0.1461","","","","","","0.988","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120649","40.8091","0.0018","10.2663","0.0004","19.3106","0.0008","90","","117.971","0.003","90","","7145.3","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 N8 O8 -","- C38 H36 N8 O8 -","- C304 H288 N64 O64 -","8","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0639","0.0507","","","0.1399","0.1535","","","","","","1.038","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120650","12.455","0.0003","12.1362","0.0003","13.8791","0.0004","90","","104.608","0.001","90","","2030.1","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 N10 O8 -","- C42 H42 N10 O8 -","- C84 H84 N20 O16 -","2","0.5","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0529","0.0437","","","0.1218","0.1307","","","","","","1.042","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120651","26.445","0.005","29.271","0.005","6.4052","0.0016","90","","90","","90","","4958.1","1.8","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C15 H15 N3 -","- C15 H15 N3 -","- C240 H240 N48 -","16","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0697","0.059","","","0.1459","0.1533","","","","","","1.073","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120652","15.485","0.002","17.588","0.002","10.7656","0.0016","90","","109.139","0.009","90","","2769.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Br N2 -","- C16 H15 Br N2 -","- C128 H120 Br8 N16 -","8","2","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1994","0.0825","","","0.1694","0.2137","","","","","","0.965","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120653","21.282","0.002","17.2226","0.0015","15.5673","0.0014","90","","108.712","0.002","90","","5404.3","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H77 Br N8 O4 -","- C56 H77 Br N8 O4 -","- C224 H308 Br4 N32 O16 -","4","0.5","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0622","0.0414","","","0.1042","0.1139","","","","","","1.031","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120654","10.9585","0.0009","11.1069","0.0008","16.6867","0.0015","78.438","0.004","77.178","0.004","75.91","0.004","1897.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H44 Br2 N6 -","- C42 H44 Br2 N6 -","- C84 H88 Br4 N12 -","2","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1103","0.0675","","","0.1554","0.1741","","","","","","1.076","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120655","17.3174","0.0009","11.0464","0.0005","20.6877","0.0009","90","","101.035","0.002","90","","3884.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.8 H33.6 Cl3.6 F10 N4 -","- C39.8 H33.6 Cl3.6 F10 N4 -","- C159.2 H134.4 Cl14.4 F40 N16 -","4","0.5","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0854","0.0612","","","0.1633","0.1811","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120656","11.8894","0.0009","11.8311","0.001","14.1611","0.0012","90","","103.366","0.003","90","","1938","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 F10 N6 -","- C42 H36 F10 N6 -","- C84 H72 F20 N12 -","2","0.5","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0473","0.0392","","","0.1111","0.1174","","","","","","1.03","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120657","10.6399","0.0006","24.5713","0.0013","11.5358","0.0006","90","","92.741","0.003","90","","3012.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C128 H112 N32 O32 -","8","2","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0653","0.0516","","","0.1384","0.1509","","","","","","1.032","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120658","19.684","0.002","11.1411","0.0014","19.52","0.002","90","","99.53","0.003","90","","4221.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H41 Br F10 N6 -","- C44 H41 Br F10 N6 -","- C176 H164 Br4 F40 N24 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1208","0.0851","","","0.1946","0.2205","","","","","","1.029","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120659","10.0512","0.0008","10.709","0.0009","11.1899","0.0009","109.207","0.002","102.04","0.002","93.042","0.002","1102.7","0.16","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H51 Br N10 O8 -","- C44 H51 Br N10 O8 -","- C44 H51 Br N10 O8 -","1","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0505","0.0476","","","0.1223","0.1246","","","","","","1.03","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120660","10.4344","0.0003","28.1432","0.0009","13.8084","0.0004","90","","90.98","0.001","90","","4054.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 N4 O4 -","- C46 H56 N4 O4 -","- C184 H224 N16 O16 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0814","0.061","","","0.1589","0.1731","","","","","","1.034","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120661","14.492","0.002","15.192","0.002","20.462","0.003","84.139","0.003","71.702","0.002","85.832","0.003","4250.9","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H59 Cl N6 O2 -","- C46 H59 Cl N6 O2 -","- C184 H236 Cl4 N24 O8 -","4","2","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.1813","0.0768","","","0.1493","0.1963","","","","","","0.979","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120662","12.4523","0.0007","19.2145","0.0011","17.6399","0.0009","90","","93.479","0.003","90","","4212.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H53 Br2 Cl N6 -","- C44 H53 Br2 Cl N6 -","- C176 H212 Br8 Cl4 N24 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0458","0.0328","","","0.0882","0.0938","","","","","","1.029","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120663","10.7531","0.0006","19.8526","0.0013","21.1338","0.0011","90","","96.105","0.002","90","","4486","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H54 Cl N9 O9 -","- C45 H54 Cl N9 O9 -","- C180 H216 Cl4 N36 O36 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0743","0.0493","","","0.1303","0.1462","","","","","","1.037","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120664","19.646","0.002","11.2296","0.0014","19.645","0.002","90","","99.022","0.003","90","","4280.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 F10 I N6 -","- C44 H45 F10 I N6 -","- C176 H180 F40 I4 N24 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.0455","0.0399","","","0.1027","0.1065","","","","","","1.038","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120665","12.2705","0.0005","10.5841","0.0006","27.6226","0.0006","90","","93.39","","90","","3581.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 Br2 N5 -","- C40 H41 Br2 N5 -","- C160 H164 Br8 N20 -","4","1","","Adriaenssens, Louis; Gil-Ramírez, Guzmán; Frontera, Antonio; Quiñonero, David; Escudero-Adán, Eduardo C; Ballester, Pablo","Thermodynamic Characterization of Halide-π Interactions in Solution Using ""Two-Wall"" Aryl Extended Calix[4]pyrroles as Model System.","Journal of the American Chemical Society","2014","136","8","3208","","10.1021/ja412098v","","","0.71073","MoKα","","0.113","0.0523","","","0.11","0.1209","","","","","","0.86","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120666","22.628","0.003","22.198","0.003","41.504","0.006","90","","90","","90","","20847","5","90","2","90","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C130 H192 Cl2 N43.67 O61.1 P2 Pd6 Pt Si2 -","- C130 H192 Cl2 N43.678 O61.063 P2 Pd6 Pt Si2 -","- C520 H768 Cl8 N174.712 O244.252 P8 Pd24 Pt4 Si8 -","4","0.5","","Kohyama, Yuh; Murase, Takashi; Fujita, Makoto","Metal-Organic Proximity in a Synthetic Pocket.","Journal of the American Chemical Society","2014","136","8","2966","","10.1021/ja412582k","","","0.71073","MoKα","","0.0999","0.0744","","","0.2045","0.2232","","","","","","1.104","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120667","10.136","0.0006","10.9801","0.0009","25.322","0.002","90","","90","","90","","2818.2","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Al Cl2 N2 O2 -","- C29 H39 Al Cl2 N2 O2 -","- C116 H156 Al4 Cl8 N8 O8 -","4","1","","Pilone, Alessia; Press, Konstantin; Goldberg, Israel; Kol, Moshe; Mazzeo, Mina; Lamberti, Marina","Gradient Isotactic Multiblock Polylactides from Aluminum Complexes of Chiral Salalen Ligands.","Journal of the American Chemical Society","2014","136","8","2940","","10.1021/ja412798x","","","0.71073","MoKα","","0.0521","0.0449","","","0.1134","0.1196","","","","","","1.032","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120668","18.26","0.002","20.91","0.003","27.801","0.003","90","","93.071","0.002","90","","10600","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C146 H168 Cu4 F24 Ir8 N16 O54 S8 -","- C142 H152 Cu4 F12 Ir8 N16 O42 S4 -","- C284 H304 Cu8 F24 Ir16 N32 O84 S8 -","2","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","0.71073","MoKα","","0.1397","0.0779","","","0.2031","0.2302","","","","","","0.967","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120669","34.111","0.006","34.111","0.006","22.396","0.004","90","","90","","90","","26059","8","173","2","173","2","","","","","","","","8","P -4 n 2","P -4 -2n","118","","","","- C192 H348 Cu4 F24 Ir8 N16 O114 S8 -","- C166 H168 Cu4 F18 Ir8 N16 O46 S6 -","- C664 H672 Cu16 F72 Ir32 N64 O184 S24 -","4","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","0.71073","MoKα","","0.0892","0.0691","","","0.1577","0.1674","","","","","","1.047","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120670","29.4297","0.0007","24.1596","0.0006","31.8628","0.0009","90","","90","","90","","22654.8","1","173","2","173","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C148 H172 Ag2 Cu4 F30 Ir8 N16 O62 S10 -","- C146 H152 Ag2 Cu4 F24 Ir8 N16 O56 S8 -","- C584 H608 Ag8 Cu16 F96 Ir32 N64 O224 S32 -","4","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","1.54178","CuKα","","0.1009","0.0728","","","0.1942","0.2109","","","","","","1.065","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120671","18.2183","0.0008","21.039","0.0009","27.5149","0.0011","90","","92.989","0.003","90","","10532","0.8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C156 H188 F24 Ir8 N20 Ni4 O58 S8 -","- C156 H160 F24 Ir8 N20 Ni4 O58 S8 -","- C312 H320 F48 Ir16 N40 Ni8 O116 S16 -","2","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","1.54178","CuKα","","0.1365","0.0925","","","0.2356","0.2676","","","","","","0.961","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120672","15.892","0.004","32.88","0.008","20.486","0.005","90","","94.06","0.005","90","","10678","5","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C162 H206 Ag2 F30 Ir8 N18 O66 S10 Zn4 -","- C162 H158 Ag2 F30 Ir8 N18 O66 S10 Zn4 -","- C324 H316 Ag4 F60 Ir16 N36 O132 S20 Zn8 -","2","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","0.71073","MoKα","","0.113","0.0605","","","0.1517","0.1779","","","","","","1.007","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120673","14.6099","0.0007","7.1043","0.0003","22.2579","0.001","90","","95.823","0.003","90","","2298.3","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 B F4 N5 Pt -","- C24 H26 B F4 N5 Pt -","- C96 H104 B4 F16 N20 Pt4 -","4","1","","Krikorian, Markrete; Liu, Shuang; Swager, Timothy M.","Columnar Liquid Crystallinity and Mechanochromism in Cationic Platinum(II) Complexes.","Journal of the American Chemical Society","2014","136","8","2952","","10.1021/ja4114352","","","1.54178","CuKα","","0.1166","0.0938","","","0.2349","0.2535","","","","","","1.11","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120674","10.1495","0.0011","10.3634","0.0005","12.2788","0.0013","92.766","0.005","107.648","0.006","98.821","0.005","1210","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 B N Si2 -","- C22 H28 B N Si2 -","- C44 H56 B2 N2 Si4 -","2","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Borole formation by 1,1-carboboration.","Journal of the American Chemical Society","2014","136","1","68","71","10.1021/ja4110396","","","1.54178","CuKα","","0.0456","0.0418","","","0.1126","0.1161","","","","","","1.042","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120675","11.1344","0.0005","11.8923","0.0005","17.9487","0.0007","91.256","0.002","98.181","0.002","104.156","0.002","2277.04","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H33 B2 F15 N2 Si2 -","- C45 H33 B2 F15 N2 Si2 -","- C90 H66 B4 F30 N4 Si4 -","2","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Borole formation by 1,1-carboboration.","Journal of the American Chemical Society","2014","136","1","68","71","10.1021/ja4110396","","","1.54178","CuKα","","0.0567","0.0499","","","0.1286","0.1331","","","","","","1.013","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120676","21.0316","0.0004","14.0496","0.0002","14.0809","0.0002","90","","103.671","0.001","90","","4042.83","0.11","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 B2 F15 N Si2 -","- C40 H28 B2 F15 N Si2 -","- C160 H112 B8 F60 N4 Si8 -","4","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Borole formation by 1,1-carboboration.","Journal of the American Chemical Society","2014","136","1","68","71","10.1021/ja4110396","","","0.71073","MoKα","","0.1261","0.0803","","","0.1326","0.1559","","","","","","1.081","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120677","11.6645","0.0004","12.2645","0.0005","18.5329","0.0007","108.563","0.002","96.887","0.002","98.819","0.002","2443.04","0.16","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 B2 F15 Si2 -","- C40 H33 B2 F15 Si2 -","- C80 H66 B4 F30 Si4 -","2","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Borole formation by 1,1-carboboration.","Journal of the American Chemical Society","2014","136","1","68","71","10.1021/ja4110396","","","1.54178","CuKα","","0.0601","0.0494","","","0.1409","0.1489","","","","","","1.068","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120678","10.8632","0.0004","11.8992","0.0006","14.8632","0.0009","81.215","0.004","84.155","0.003","68.825","0.003","1768.26","0.16","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H23 B2 F15 Si2 -","- C34 H23 B2 F15 Si2 -","- C68 H46 B4 F30 Si4 -","2","1","","Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Borole formation by 1,1-carboboration.","Journal of the American Chemical Society","2014","136","1","68","71","10.1021/ja4110396","","","1.54178","CuKα","","0.0744","0.0481","","","0.117","0.1328","","","","","","1.028","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120679","7.1747","0.0002","7.9625","0.0003","8.5502","0.0003","69.509","0.001","84.347","0.001","75.715","0.001","443.37","0.03","100","2","99.99","","","","","","","","","4","P 1","P 1","1","","","","- C18 H21 O6 P -","- C18 H21 O6 P -","- C18 H21 O6 P -","1","1","","Jang, Ki Po; Hutson, Gerri E.; Johnston, Ryne C.; McCusker, Elizabeth O.; Cheong, Paul H.-Y.; Scheidt, Karl A.","Asymmetric Homoenolate Additions to Acyl Phosphonates through Rational Design of a Tailored N-Heterocyclic Carbene Catalyst.","Journal of the American Chemical Society","2014","136","1","76","79","10.1021/ja410932t","","","1.54178","CuKα","","0.0283","0.0283","","","0.0757","0.0759","","","","","","1.054","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120680","16.9057","0.0006","10.5686","0.0004","21.5417","0.001","90","","101.02","0.0017","90","","3777.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H58 Ge O4 Si3 W -","- C32 H58 Ge O4 Si3 W -","- C128 H232 Ge4 O16 Si12 W4 -","4","1","","Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi","Reactions of a Tungsten-Germylyne Complex with α,β-Unsaturated Ketones: Complete Cleavage of the W≡Ge Bond and Formation of Two Types of η(3)-Germoxyallyl Tungsten Complexes.","Journal of the American Chemical Society","2014","136","1","80","83","10.1021/ja4109853","","","0.71069","MoKα","","0.0585","0.0481","","","0.0994","0.111","","","","","","1.264","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120681","8.9578","0.0007","9.0925","0.0007","21.22","0.0017","81.533","0.006","78.365","0.006","76.447","0.005","1636.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H50 Ge O3 Si3 W -","- C27 H50 Ge O3 Si3 W -","- C54 H100 Ge2 O6 Si6 W2 -","2","1","","Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi","Reactions of a Tungsten-Germylyne Complex with α,β-Unsaturated Ketones: Complete Cleavage of the W≡Ge Bond and Formation of Two Types of η(3)-Germoxyallyl Tungsten Complexes.","Journal of the American Chemical Society","2014","136","1","80","83","10.1021/ja4109853","","","0.71075","MoKα","","0.0329","0.0277","","","0.0583","0.06","","","","","","1.031","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120682","9.722","0.0009","16.2451","0.0016","21.645","0.002","98.61","0.004","100.124","0.004","94.125","0.004","3310.4","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O3 S -","- C17 H18 N2 O3 S -","- C136 H144 N16 O24 S8 -","8","4","","Chuprakov, Stepan; Worrell, Brady T.; Selander, Nicklas; Sit, Rakesh K.; Fokin, Valery V.","Stereoselective 1,3-Insertions of Rhodium(II) Azavinyl Carbenes.","Journal of the American Chemical Society","2014","136","1","195","202","10.1021/ja408185c","","","0.71073","MoKα","","0.04","0.0321","","","0.0789","0.0839","","","","","","1.047","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120683","10.5744","0.0007","10.7434","0.0007","12.6461","0.0009","74.312","0.003","71.548","0.003","79.44","0.003","1304.51","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Cl2 N O3 S -","- C27 H27 Cl2 N O3 S -","- C54 H54 Cl4 N2 O6 S2 -","2","1","","Chuprakov, Stepan; Worrell, Brady T.; Selander, Nicklas; Sit, Rakesh K.; Fokin, Valery V.","Stereoselective 1,3-Insertions of Rhodium(II) Azavinyl Carbenes.","Journal of the American Chemical Society","2014","136","1","195","202","10.1021/ja408185c","","","0.71073","MoKα","","0.049","0.0429","","","0.1069","0.1116","","","","","","1.021","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120684","5.0497","0.0005","9.2653","0.001","13.2307","0.0016","90","","98.504","0.007","90","","612.22","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O4 S -","- C11 H14 N2 O4 S -","- C22 H28 N4 O8 S2 -","2","1","","Chuprakov, Stepan; Worrell, Brady T.; Selander, Nicklas; Sit, Rakesh K.; Fokin, Valery V.","Stereoselective 1,3-Insertions of Rhodium(II) Azavinyl Carbenes.","Journal of the American Chemical Society","2014","136","1","195","202","10.1021/ja408185c","","","0.71073","MoKα","","0.0451","0.0373","","","0.0803","0.0838","","","","","","1.024","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120685","11.3703","0.0005","18.4887","0.001","13.6456","0.0008","90","","113.629","0.003","90","","2628.1","0.2","143","2","416","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H55 Cl O8 P2 Pd -","- C56 H55 Cl O8 P2 Pd -","- C112 H110 Cl2 O16 P4 Pd2 -","2","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","1.54178","CuKα","","0.1837","0.0896","","","0.2273","0.2672","","","","","","0.932","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120686","9.7484","0.0007","19.9815","0.0015","25.907","0.0019","90","","90","","90","","5046.4","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H55 Cl O2 P2 Pd -","- C59 H55 Cl O2 P2 Pd -","- C236 H220 Cl4 O8 P8 Pd4 -","4","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","0.71073","MoKα","","0.0349","0.0311","","","0.0744","0.0761","","","","","","1.036","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120687","7.5337","0.0013","17.205","0.003","27.444","0.005","90","","90","","90","","3557.2","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H38 O2 P2 -","- C44 H38 O2 P2 -","- C176 H152 O8 P8 -","4","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","0.71073","MoKα","","0.0597","0.0436","","","0.0949","0.1029","","","","","","0.998","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120688","9.4609","0.0007","21.4594","0.0017","22.4518","0.0017","90","","90","","90","","4558.3","0.6","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H47 Br Cl4 O2 P2 Pd -","- C49 H47 Br Cl4 O2 P2 Pd -","- C196 H188 Br4 Cl16 O8 P8 Pd4 -","4","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","0.71073","MoKα","","0.057","0.0436","","","0.1023","0.1082","","","","","","1.008","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120689","9.2918","0.0008","20.1508","0.0017","25.42","0.002","90","","90","","90","","4759.6","0.7","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cl2 O2 P2 Pd -","- C58 H54 Cl2 O2 P2 Pd -","- C232 H216 Cl8 O8 P8 Pd4 -","4","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","0.71073","MoKα","","0.0297","0.0258","","","0.0599","0.0621","","","","","","1.015","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120690","9.7151","0.0014","15.526","0.002","17.882","0.003","90","","103.757","0.005","90","","2619.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Au N4 O3 S -","- C27 H31 Au N4 O3 S -","- C108 H124 Au4 N16 O12 S4 -","4","1","","Ball, Liam T.; Lloyd-Jones, Guy C; Russell, Christopher A.","Gold-Catalyzed Oxidative Coupling of Arylsilanes and Arenes: Origin of Selectivity and Improved Precatalyst.","Journal of the American Chemical Society","2014","136","1","254","264","10.1021/ja408712e","","","1.54178","CuKα","","0.0445","0.0431","","","0.1157","0.1178","","","","","","1.055","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120691","17.133","0.0006","7.1093","0.0003","17.3925","0.0006","90","","116.397","0.002","90","","1897.59","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Au Br3 S -","- C4 H8 Au Br3 S -","- C32 H64 Au8 Br24 S8 -","8","2","","Ball, Liam T.; Lloyd-Jones, Guy C; Russell, Christopher A.","Gold-Catalyzed Oxidative Coupling of Arylsilanes and Arenes: Origin of Selectivity and Improved Precatalyst.","Journal of the American Chemical Society","2014","136","1","254","264","10.1021/ja408712e","","","0.71073","MoKα","","0.0213","0.0164","","","0.0398","0.0434","","","","","","1.081","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120692","15.493","0.004","17.157","0.004","21.556","0.005","82.13","0.003","73.244","0.003","64.983","0.003","4971","2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","lsw30jun13a","","","- C96 H108 Au11 P6 -","- C96 H108 Au11 P6 -","- C192 H216 Au22 P12 -","2","1","","Chen, Jing; Zhang, Qian-Fan; Bonaccorso, Timary A.; Williard, Paul G.; Wang, Lai-Sheng","Controlling gold nanoclusters by diphospine ligands.","Journal of the American Chemical Society","2014","136","1","92","95","10.1021/ja411061e","","","0.7749","","","0.1545","0.088","","","0.2253","0.2768","","","","","","0.979","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120693","4.3886","0.0001","13.3722","0.0003","15.5729","0.0004","90","","90","","90","","913.9","0.04","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 Cu N2 O3 -","- C10 H8 Cu N2 O3 -","- C40 H32 Cu4 N8 O12 -","4","1","","Zhang, Teng; Wang, Cheng; Liu, Shubin; Wang, Jin-Liang; Lin, Wenbin","A biomimetic copper water oxidation catalyst with low overpotential.","Journal of the American Chemical Society","2014","136","1","273","281","10.1021/ja409267p","","","1.54178","CuKα","","0.0414","0.0386","","","0.1115","0.1154","","","","","","0.992","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120694","14.2771","0.0017","5.5968","0.0004","14.1592","0.0013","90","","90","","90","","1131.41","0.19","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ba3 Cl O10 P3 -","- Ba3 Cl O10 P3 -","- Ba12 Cl4 O40 P12 -","4","1","","Yu, Peng; Wu, Li-Ming; Zhou, Liu-Jiang; Chen, Ling","Deep-Ultraviolet Nonlinear Optical Crystals: Ba3P3O10X (X = Cl, Br).","Journal of the American Chemical Society","2014","136","1","480","487","10.1021/ja411272y","","","0.71073","MoKα","","0.0358","0.029","","","0.0451","0.0477","","","","","","1.148","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120695","7.1722","0.0018","11.364","0.003","13.998","0.004","90","","90","","90","","1140.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ba3 Br O10 P3 -","- Ba3 Br O10 P3 -","- Ba12 Br4 O40 P12 -","4","1","","Yu, Peng; Wu, Li-Ming; Zhou, Liu-Jiang; Chen, Ling","Deep-Ultraviolet Nonlinear Optical Crystals: Ba3P3O10X (X = Cl, Br).","Journal of the American Chemical Society","2014","136","1","480","487","10.1021/ja411272y","","","0.71073","MoKα","","0.0329","0.0328","","","0.0707","0.0708","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120696","23.329","0.002","18.055","0.003","25.448","0.003","90","","114.892","0.008","90","","9723","2","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C184 H160 F48 N40 O8 P8 Ru8 -","- C184 H160 F48 N40 O8 P8 Ru8 -","- C368 H320 F96 N80 O16 P16 Ru16 -","2","0.25","","Neudeck, Sven; Maji, Somnath; López, Isidoro; Meyer, Steffen; Meyer, Franc; Llobet, Antoni","New powerful and oxidatively rugged dinuclear ru water oxidation catalyst: control of mechanistic pathways by tailored ligand design.","Journal of the American Chemical Society","2014","136","1","24","27","10.1021/ja409974b","","","0.71073","MoKα","","0.072","0.0369","","","0.0689","0.0753","","","","","","0.853","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120697","12.7175","0.0003","18.84","0.0005","21.7489","0.0006","91.46","0.002","105.661","0.002","92.752","0.002","5007.7","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H78 K N3 O6 S Si6 U -","- C30 H78 K N3 O6 S Si6 U -","- C120 H312 K4 N12 O24 S4 Si24 U4 -","4","2","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.0391","0.025","","","0.0539","0.0568","","","","","","0.901","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120698","11.2243","0.0003","16.4779","0.0004","32.1639","0.0008","90","","91.774","0.002","90","","5946","0.3","104","2","104","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H95 K N5 O6.5 S Si6 U -","- C38 H54 K N5 O6.5 S Si6 U -","- C152 H216 K4 N20 O26 S4 Si24 U4 -","4","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.0692","0.0512","","","0.1473","0.1593","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120699","11.0235","0.0007","12.7783","0.0008","18.3992","0.0012","91.254","0.004","93.268","0.004","106.365","0.004","2480.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H78 K N3 O7 Si6 U -","- C30 H60 K N3 O7 Si6 U -","- C60 H120 K2 N6 O14 Si12 U2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.0583","0.0535","","","0.1277","0.1297","","","","","","1.1","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120700","11.7031","0.0004","12.7108","0.0004","17.4991","0.0007","90.802","0.002","92.647","0.002","96.274","0.002","2584.26","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H79 N3 O2 Si6 U -","- C41 H79 N3 O2 Si6 U -","- C82 H158 N6 O4 Si12 U2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.042","0.0345","","","0.1257","0.1316","","","","","","1.057","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120701","12.4741","0.0004","12.5528","0.0004","12.8731","0.0004","87.589","0.002","67.196","0.002","86.878","0.002","1854.94","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H110 K2 O16 -","- C78 H82 K2 O16 -","- C78 H82 K2 O16 -","1","0.5","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.1144","0.0794","","","0.1664","0.1691","","","","","","3.496","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120702","15.8489","0.0017","34.478","0.004","11.8844","0.0013","90","","90","","90","","6494.1","1.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C53 H102 Li N4 O8 Si6 U -","- C53 H102 Li N4 O8 Si6 U -","- C212 H408 Li4 N16 O32 Si24 U4 -","4","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of uranium-ligand multiple bonds by cleavage of a trityl protecting group.","Journal of the American Chemical Society","2014","136","1","96","99","10.1021/ja411423a","","","0.71073","MoKα","","0.064","0.0406","","","0.0644","0.0697","","","","","","1.027","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120703","17.919","0.002","15.3943","0.0015","9.6893","0.0012","90","","90","","90","","2672.8","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C104 H152 N24 O16 -","8","1","","Kim, Sung Kuk; Lim, Jong Min; Pradhan, Tuhin; Jung, Hyo Sung; Lynch, Vincent M.; Kim, Jong Seung; Kim, Dongho; Sessler, Jonathan L.","Self-association and nitroaromatic-induced deaggregation of pyrene substituted pyridine amides.","Journal of the American Chemical Society","2014","136","1","495","505","10.1021/ja411672f","","","0.71075","MoKα","","0.1167","0.0935","","","0.1839","0.1971","","","","","","1.115","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120704","27.8949","0.001","27.8949","0.001","16.4272","0.0007","90","","90","","90","","12782.4","0.8","153","2","153","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C42 H31 N3 O3 -","- C41 H27 N3 O2 -","- C656 H432 N48 O32 -","16","1","","Kim, Sung Kuk; Lim, Jong Min; Pradhan, Tuhin; Jung, Hyo Sung; Lynch, Vincent M.; Kim, Jong Seung; Kim, Dongho; Sessler, Jonathan L.","Self-association and nitroaromatic-induced deaggregation of pyrene substituted pyridine amides.","Journal of the American Chemical Society","2014","136","1","495","505","10.1021/ja411672f","","","0.7107","MoKα","","0.1475","0.0745","","","0.1451","0.153","","","","","","1.711","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120705","9.882","0.0004","10.053","0.0005","21.2051","0.0009","81.036","0.001","78.409","0.001","62.916","0.001","1832.33","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H30 N6 O8 -","- C47 H30 N6 O8 -","- C94 H60 N12 O16 -","2","1","","Kim, Sung Kuk; Lim, Jong Min; Pradhan, Tuhin; Jung, Hyo Sung; Lynch, Vincent M.; Kim, Jong Seung; Kim, Dongho; Sessler, Jonathan L.","Self-association and nitroaromatic-induced deaggregation of pyrene substituted pyridine amides.","Journal of the American Chemical Society","2014","136","1","495","505","10.1021/ja411672f","","","0.71069","MoKα","","0.1056","0.0534","","","0.1117","0.1363","","","","","","1.011","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120706","8.4734","0.0015","8.5039","0.0015","19.304","0.003","79.287","0.003","79.415","0.003","89.781","0.003","1342.8","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C56 H80 N8 O8 -","4","2","","Kim, Sung Kuk; Lim, Jong Min; Pradhan, Tuhin; Jung, Hyo Sung; Lynch, Vincent M.; Kim, Jong Seung; Kim, Dongho; Sessler, Jonathan L.","Self-association and nitroaromatic-induced deaggregation of pyrene substituted pyridine amides.","Journal of the American Chemical Society","2014","136","1","495","505","10.1021/ja411672f","","","0.71075","MoKα","","0.0663","0.0578","","","0.1437","0.1476","","","","","","1.188","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4121401","30.4975","0.0019","30.4975","0.0019","13.3192","0.0009","90","","90","","90","","12388.2","1.4","90","2","90","2","","","","","","","","8","P 4","P 4","75","","","","- C211 H152 Dy F9 N40 O45 S3 Zn16 -","- C211 H152 Dy F9 N40 O45 S3 Zn16 -","- C422 H304 Dy2 F18 N80 O90 S6 Zn32 -","2","0.5","","Trivedi, Evan R.; Eliseeva, Svetlana V.; Jankolovits, Joseph; Olmstead, Marilyn M.; Petoud, Stéphane; Pecoraro, Vincent L.","Highly emitting near-infrared lanthanide ""encapsulated sandwich"" metallacrown complexes with excitation shifted toward lower energy.","Journal of the American Chemical Society","2014","136","4","1526","1534","10.1021/ja4113337","","","0.71073","MoKα","","0.0514","0.0415","","","0.1333","0.1402","","","","","","1.039","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4121402","7.2221","0.0001","14.9351","0.0002","17.0443","0.0002","90","","93.767","0.001","90","","1834.47","0.04","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Cl Ir N O -","- C21 H23 Cl Ir N O -","- C84 H92 Cl4 Ir4 N4 O4 -","4","1","","Turlington, Christopher R.; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Oxygen atom transfer to a half-sandwich iridium complex: clean oxidation yielding a molecular product.","Journal of the American Chemical Society","2014","136","10","3981","3994","10.1021/ja413023f","","","1.54178","CuKα","","0.0214","0.0207","","","0.0469","0.0472","","","","","","1.181","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121403","9.1491","0.0004","10.4209","0.0004","14.3917","0.0006","75.867","0.002","87.839","0.002","74.111","0.002","1279.14","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cl5 Ir N O2 -","- C23 H27 Cl5 Ir N O2 -","- C46 H54 Cl10 Ir2 N2 O4 -","2","1","","Turlington, Christopher R.; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Oxygen atom transfer to a half-sandwich iridium complex: clean oxidation yielding a molecular product.","Journal of the American Chemical Society","2014","136","10","3981","3994","10.1021/ja413023f","","","1.54178","CuKα","","0.0225","0.0216","","","0.0524","0.0529","","","","","","1.086","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121404","12.814","0.0002","13.721","0.0002","18.1145","0.0003","106.177","0.001","110.323","0.001","98.016","0.001","2767.98","0.08","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H37 B Cl2 F24 Ir N O -","- C54 H37 B Cl2 F24 Ir N O -","- C108 H74 B2 Cl4 F48 Ir2 N2 O2 -","2","1","","Turlington, Christopher R.; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Oxygen atom transfer to a half-sandwich iridium complex: clean oxidation yielding a molecular product.","Journal of the American Chemical Society","2014","136","10","3981","3994","10.1021/ja413023f","","","1.54178","CuKα","","0.0242","0.0237","","","0.0593","0.0598","","","","","","1.086","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121405","13.1858","0.0003","20.15","0.0005","24.1403","0.0006","90","","100.181","0.001","90","","6312.9","0.3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H39 B Cl F30 Ir N2 O -","- C62 H39 B Cl F30 Ir N2 O -","- C248 H156 B4 Cl4 F120 Ir4 N8 O4 -","4","1","","Turlington, Christopher R.; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.","Oxygen atom transfer to a half-sandwich iridium complex: clean oxidation yielding a molecular product.","Journal of the American Chemical Society","2014","136","10","3981","3994","10.1021/ja413023f","","","1.54178","CuKα","","0.0325","0.0283","","","0.0675","0.0695","","","","","","1.036","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121407","6.1661","0.0004","15.0421","0.0009","29.201","0.0017","90","","90","","90","","2708.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N4 O9 -","- C27 H33 N4 O9 -","- C108 H132 N16 O36 -","4","1","","Parker, Matthew F. L.; Osuna, Sílvia; Bollot, Guillaume; Vaddypally, Shivaiah; Zdilla, Michael J.; Houk, K. N.; Schafmeister, Christian E.","Acceleration of an Aromatic Claisen Rearrangement via a Designed Spiroligozyme Catalyst that Mimics the Ketosteroid Isomerase Catalytic Dyad.","Journal of the American Chemical Society","2014","136","10","3817","3827","10.1021/ja409214c","","","0.71073","MoKα","","0.0436","0.0364","","","0.0836","0.0875","","","","","","1.016","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121408","13.0126","0.0004","13.1146","0.0004","13.9071","0.0004","84.956","0.001","69.273","0.001","84.608","0.001","2206.08","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.9 H29.1 N3.3 O9.3 Zn2 -","- C37.9 H29.1 N3.3 O9.3 Zn2 -","- C75.8 H58.2 N6.6 O18.6 Zn4 -","2","1","","Aggarwal, Himanshu; Bhatt, Prashant M.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Direct evidence for single-crystal to single-crystal switching of degree of interpenetration in a metal-organic framework.","Journal of the American Chemical Society","2014","136","10","3776","3779","10.1021/ja500530y","","","0.71073","MoKα","","0.0568","0.0463","","","0.1321","0.1374","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121409","17.0963","0.0003","19.9054","0.0003","14.0678","0.0002","90","","95.978","0.001","90","","4761.36","0.13","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52.2 H32.8 N3.4 O12.4 Zn3 -","- C52.2 H32.8 N3.4 O12.4 Zn3 -","- C208.8 H131.2 N13.6 O49.6 Zn12 -","4","1","","Aggarwal, Himanshu; Bhatt, Prashant M.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Direct evidence for single-crystal to single-crystal switching of degree of interpenetration in a metal-organic framework.","Journal of the American Chemical Society","2014","136","10","3776","3779","10.1021/ja500530y","","","0.71073","MoKα","","0.0594","0.0408","","","0.0889","0.0968","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121410","17.1323","0.0014","19.8444","0.0016","14.0625","0.0012","90","","96.159","0.001","90","","4753.4","0.7","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51.96 H32.24 N3.32 O12.32 Zn3 -","- C51.96 H32.24 N3.32 O12.32 Zn3 -","- C207.84 H128.96 N13.28 O49.28 Zn12 -","4","1","","Aggarwal, Himanshu; Bhatt, Prashant M.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Direct evidence for single-crystal to single-crystal switching of degree of interpenetration in a metal-organic framework.","Journal of the American Chemical Society","2014","136","10","3776","3779","10.1021/ja500530y","","","0.71073","MoKα","","0.0795","0.0504","","","0.1136","0.1255","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121411","17.574","0.0007","20.2877","0.0006","21.8764","0.0007","76.155","0.003","80.617","0.003","86.112","0.003","7468.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","BN-DBTTC-C6","","","- C180 H0 B6 N6 O0 S12 -","- C180 B6 N6 S12 -","- C360 B12 N12 S24 -","2","1","","Wang, Xiao-Ye; Zhuang, Fang-Dong; Wang, Rui-Bo; Wang, Xin-Chang; Cao, Xiao-Yu; Wang, Jie-Yu; Pei, Jian","A Straightforward Strategy toward Large BN-Embedded π-Systems: Synthesis, Structure, and Optoelectronic Properties of Extended BN Heterosuperbenzenes.","Journal of the American Chemical Society","2014","136","10","3764","3767","10.1021/ja500117z","","","1.54178","CuKα","","0.1683","0.14","","","0.3837","0.4378","","","","","","0.966","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121412","18.6813","0.0012","8.6489","0.0004","5.8008","0.0003","90","","96.215","0.003","90","","931.74","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Hg (O Te F5)2","","","- F10 Hg O2 Te2 -","- F10 Hg O2 Te2 -","- F40 Hg4 O8 Te8 -","4","0.5","","Debackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Noble-Gas Difluoride Complexes of Mercury(II): The Syntheses and Structures of Hg(OTeF5)2·1.5NgF2 (Ng = Xe, Kr) and Hg(OTeF5)2.","Journal of the American Chemical Society","2014","136","10","3888","3903","10.1021/ja412193z","","","0.71073","MoKα","","0.0545","0.0461","","","0.1191","0.1232","","","","","","1.11","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121413","9.0574","0.0002","17.8943","0.0003","9.1285","0.0002","90","","114.548","0.001","90","","1345.78","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Hg (O Te F5)2, (Xe F2)1.5","","","- F13 Hg O2 Te2 Xe1.5 -","- F13 Hg O2 Te2 Xe1.5 -","- F52 Hg4 O8 Te8 Xe6 -","4","1","","Debackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Noble-Gas Difluoride Complexes of Mercury(II): The Syntheses and Structures of Hg(OTeF5)2·1.5NgF2 (Ng = Xe, Kr) and Hg(OTeF5)2.","Journal of the American Chemical Society","2014","136","10","3888","3903","10.1021/ja412193z","","","0.71073","MoKα","","0.0426","0.0282","","","0.0558","0.0595","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121414","8.7981","0.0004","17.4159","0.0009","9.2247","0.0004","90","","113.783","0.003","90","","1293.44","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Hg (O Te F5)2, (Kr F2)1.5","","","- F13 Hg Kr1.5 O2 Te2 -","- F13 Hg Kr1.5 O2 Te2 -","- F52 Hg4 Kr6 O8 Te8 -","4","1","","Debackere, John R.; Mercier, Hélène P A; Schrobilgen, Gary J.","Noble-Gas Difluoride Complexes of Mercury(II): The Syntheses and Structures of Hg(OTeF5)2·1.5NgF2 (Ng = Xe, Kr) and Hg(OTeF5)2.","Journal of the American Chemical Society","2014","136","10","3888","3903","10.1021/ja412193z","","","0.71073","MoKα","","0.0346","0.0284","","","0.0693","0.0716","","","","","","1.185","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121415","16.288","0.0006","19.2991","0.0006","5.3395","0.0002","90","","90","","90","","1678.44","0.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H16 Cl2 N6 -","- C20 H12 Cl2 N6 -","- C80 H48 Cl8 N24 -","4","0.5","","Pochorovski, Igor; Milić, Jovana; Kolarski, Dušan; Gropp, Cornelius; Schweizer, W. Bernd; Diederich, François","Evaluation of Hydrogen-Bond Acceptors for Redox-Switchable Resorcin[4]arene Cavitands.","Journal of the American Chemical Society","2014","136","10","3852","3858","10.1021/ja411429b","","","1.54178","CuKα","","0.0523","0.0376","","","0.0875","0.0925","","","","","","0.994","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121416","18.289","0.004","31.753","0.008","19.041","0.004","90","","101.35","0.008","90","","10841","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C113 H100 Cl2 N10 O12 -","- C113 H100 Cl2 N10 O12 -","- C452 H400 Cl8 N40 O48 -","4","1","","Pochorovski, Igor; Milić, Jovana; Kolarski, Dušan; Gropp, Cornelius; Schweizer, W. Bernd; Diederich, François","Evaluation of Hydrogen-Bond Acceptors for Redox-Switchable Resorcin[4]arene Cavitands.","Journal of the American Chemical Society","2014","136","10","3852","3858","10.1021/ja411429b","","","1.54178","CuKα","","0.2317","0.1655","","","0.3629","0.3819","","","","","","1.993","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121417","10.1012","0.0004","9.8645","0.0004","14.7218","0.0006","90","","92.917","0.003","90","","1465.03","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl N O2 -","- C15 H18 Cl N O2 -","- C60 H72 Cl4 N4 O8 -","4","2","","Wu, Hao; Haeffner, Fredrik; Hoveyda, Amir H.","An efficient, practical, and enantioselective method for synthesis of homoallenylamides catalyzed by an aminoalcohol-derived, boron-based catalyst.","Journal of the American Chemical Society","2014","136","10","3780","3783","10.1021/ja500374p","","","1.54178","CuKα","","0.0787","0.0597","","","0.1402","0.1505","","","","","","1.03","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121418","5.6723","0.0005","12.279","0.001","16.043","0.0013","90","","90","","90","","1117.4","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","","Wu, Hao; Haeffner, Fredrik; Hoveyda, Amir H.","An efficient, practical, and enantioselective method for synthesis of homoallenylamides catalyzed by an aminoalcohol-derived, boron-based catalyst.","Journal of the American Chemical Society","2014","136","10","3780","3783","10.1021/ja500374p","","","1.54178","CuKα","","0.0297","0.0284","","","0.069","0.0699","","","","","","1.07","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121419","13.099","0.005","13.355","0.005","14.078","0.005","71.968","0.004","69.923","0.004","70.857","0.004","2130.7","1.4","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Costa, José Sánchez; Rodríguez-Jiménez, Santiago; Craig, Gavin A.; Barth, Benjamin; Beavers, Christine M.; Teat, Simon J.; Aromí, Guillem","Three-Way Crystal-to-Crystal Reversible Transformation and Controlled Spin Switching by a Nonporous Molecular Material.","Journal of the American Chemical Society","2014","136","10","3869","3874","10.1021/ja411595y","","","0.7749","synchrotron","","0.1509","0.1055","","","0.305","0.3396","","","","","","1.036","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121420","12.708","0.004","13.214","0.005","14.931","0.005","71.792","0.004","69.208","0.004","62.66","0.004","2048.2","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37.25 H35 Cl2 Fe N10 O11.75 -","- C37.25 H34 Cl2 Fe N10 O11.75 -","- C74.5 H68 Cl4 Fe2 N20 O23.5 -","2","1","","Costa, José Sánchez; Rodríguez-Jiménez, Santiago; Craig, Gavin A.; Barth, Benjamin; Beavers, Christine M.; Teat, Simon J.; Aromí, Guillem","Three-Way Crystal-to-Crystal Reversible Transformation and Controlled Spin Switching by a Nonporous Molecular Material.","Journal of the American Chemical Society","2014","136","10","3869","3874","10.1021/ja411595y","","","0.7749","synchrotron","","0.1141","0.0781","","","0.2015","0.2357","","","","","","1.066","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121421","14.0569","0.0017","21.606","0.003","15.2698","0.0019","90","","114.946","0.002","90","","4205","0.9","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40.5 H39 Cl2 Fe N10 O11.5 -","- C40.398 H38.796 Cl2 Fe N10 O11.466 -","- C161.592 H155.184 Cl8 Fe4 N40 O45.864 -","4","1","","Costa, José Sánchez; Rodríguez-Jiménez, Santiago; Craig, Gavin A.; Barth, Benjamin; Beavers, Christine M.; Teat, Simon J.; Aromí, Guillem","Three-Way Crystal-to-Crystal Reversible Transformation and Controlled Spin Switching by a Nonporous Molecular Material.","Journal of the American Chemical Society","2014","136","10","3869","3874","10.1021/ja411595y","","","0.7749","synchrotron","","0.059","0.0512","","","0.1372","0.1454","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121422","14.041","0.004","15.174","0.004","21.268","0.006","90","","108.413","0.003","90","","4299","2","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 F3 N O -","- C26 H24 F3 N O -","- C208 H192 F24 N8 O8 -","8","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0961","0.0595","","","0.1347","0.1501","","","","","","1.049","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121423","32.495","0.004","7.4802","0.0009","17.551","0.002","90","","105.813","0.002","90","","4104.7","0.8","123","","123","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H22 F3 N O -","- C25 H22 F3 N O -","- C200 H176 F24 N8 O8 -","8","2","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0596","0.0446","","","0.0948","0.102","","","","","","1.038","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121424","9.4028","0.0013","10.1616","0.0014","14.165","0.0019","107.003","0.002","109.02","0.002","95.887","0.002","1193.9","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F3 N O -","- C29 H31 F3 N O -","- C58 H62 F6 N2 O2 -","2","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.062","0.0563","","","0.1488","0.155","","","","","","1.047","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121425","25.51","0.003","8.9782","0.0012","26.541","0.003","90","","112.593","0.002","90","","5612.3","1.2","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 F3 N O -","- C35 H35 F3 N O -","- C280 H280 F24 N8 O8 -","8","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0571","0.0424","","","0.0932","0.1007","","","","","","1.02","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121426","10.579","0.002","10.658","0.002","13.229","0.003","75.671","0.003","76.455","0.003","82.608","0.003","1401","0.5","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 F3 N O -","- C36 H30 F3 N O -","- C72 H60 F6 N2 O2 -","2","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0671","0.0451","","","0.0908","0.1012","","","","","","1.04","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121427","5.6284","0.0005","15.5917","0.0015","18.8291","0.0018","90","","90","","90","","1652.4","0.3","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 F3 N O -","- C20 H18 F3 N O -","- C80 H72 F12 N4 O4 -","4","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0441","0.0345","","","0.0785","0.0834","","","","","","1.067","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121428","11.401","0.003","14.913","0.004","15.965","0.004","90","","97.817","0.003","90","","2689.2","1.2","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 F3 N O -","- C36 H30 F3 N O -","- C144 H120 F12 N4 O4 -","4","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0955","0.0487","","","0.1008","0.1156","","","","","","1.012","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121429","9.075","0.002","9.991","0.002","13.562","0.003","101.559","0.002","104.089","0.003","97.615","0.003","1147","0.4","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 F3 N O -","- C28 H28 F3 N O -","- C56 H56 F6 N2 O2 -","2","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.1004","0.0721","","","0.1821","0.202","","","","","","1.043","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121430","17.148","0.002","11.3383","0.0015","14.3781","0.0019","90","","96.218","0.002","90","","2779.1","0.6","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 F3 N O2 -","- C33 H30 F3 N O2 -","- C132 H120 F12 N4 O8 -","4","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0807","0.048","","","0.0954","0.1072","","","","","","1.028","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121431","9.687","0.002","9.819","0.002","12.399","0.003","83.01","0.003","73.99","0.003","70.346","0.003","1067","0.4","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F3 N O2 -","- C26 H24 F3 N O2 -","- C52 H48 F6 N2 O4 -","2","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.094","0.0572","","","0.1225","0.1395","","","","","","1.016","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121432","28.6041","0.0014","8.1727","0.0004","22.0769","0.0011","90","","110.543","0.002","90","","4832.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 O4 -","- C26 H38 O4 -","- C208 H304 O32 -","8","2","","Horeischi, Fiene; Biber, Nicole; Plietker, Bernd","The Total Syntheses of Guttiferone A and 6-epi-Guttiferone A.","Journal of the American Chemical Society","2014","136","10","4026","4030","10.1021/ja500063a","","","0.71073","MoKα","","0.0778","0.0486","","","0.1055","0.1138","","","","","","1.031","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121433","8.6352","0.0006","10.1575","0.0007","13.0283","0.0008","79.15","0.003","77.585","0.003","74.196","0.004","1063.56","0.13","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H34 O4 -","- C24 H34 O4 -","- C48 H68 O8 -","2","1","","Horeischi, Fiene; Biber, Nicole; Plietker, Bernd","The Total Syntheses of Guttiferone A and 6-epi-Guttiferone A.","Journal of the American Chemical Society","2014","136","10","4026","4030","10.1021/ja500063a","","","0.71073","MoKα","","0.0721","0.0439","","","0.1004","0.1087","","","","","","1.026","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121434","18.067","0.004","22.497","0.005","32.866","0.007","78.64","0.03","80.51","0.03","82.79","0.03","12858","5","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C192 H177 Cu8 F48 N39.5 O8.25 P8 -","- C192 H165 Cu8 F48 N39.5 O8.25 P8 -","- C384 H330 Cu16 F96 N79 O16.5 P16 -","2","1","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.71073","MoKα","","0.1541","0.0802","","","0.2336","0.2582","","","","","","0.96","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121435","23.101","0.009","23.101","0.009","46.775","0.018","90","","90","","90","","24962","17","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C188 H152 Ag Au2 B7 Cu8 F28 N36 -","- C188 H152 Ag Au2 B4 Cu8 F16 N36 -","- C376 H304 Ag2 Au4 B8 Cu16 F32 N72 -","2","0.25","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.6889","synchrotron","","0.1175","0.0986","","","0.2563","0.2719","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121436","47.2607","0.001","25.8641","0.0005","38.3681","0.0009","90","","109.894","0.002","90","","44100.7","1.7","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C180 H124 B8 Br16 Cu8 F32 N37 O0.5 -","- C180 H102 B6.5 Br16 Cu8 F25.5 N37 O0.5 -","- C1440 H816 B52 Br128 Cu64 F204 N296 O4 -","8","1","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","1.5418","CuKα","","0.0774","0.0668","","","0.1813","0.19","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121437","35.408","0.005","35.408","0.005","45.801","0.009","90","","90","","120","","49729","14","180","2","180","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C184 H152 Ag8 B8 F32 N32 -","- C184 H152 Ag8 B4.66667 F18.6667 N32 -","- C1656 H1368 Ag72 B42 F168 N288 -","9","0.5","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.71073","MoKα","","0.0712","0.0569","","","0.1441","0.1541","","","","","","1.003","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121438","23.054","0.0005","47.6698","0.0016","23.0934","0.0005","90","","90.249","0.002","90","","25378.9","1.2","120","2","120","2","","","","","","","","9","P 1 n 1","P -2yac","7","","","","- C416 H646 Au3 B0 Cu8 F56 N74 O38 Sb7 -","- C188 H152 Au3 Cu8 N36 -","- C376 H304 Au6 Cu16 N72 -","2","1","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","1.5418","CuKα","","0.1538","0.1457","","","0.3618","0.3709","","","","","","1.595","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121439","22.896","0.003","22.896","0.003","95.642","0.019","90","","90","","90","","50138","14","120","2","120","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C228 H214 Cu8 F48 N40 O3 P8 -","- C216 H184 Cu8 F48 N40 P8 -","- C1728 H1472 Cu64 F384 N320 P64 -","8","0.5","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","1.5418","CuKα","","0.1149","0.1048","","","0.3081","0.3179","","","","","","1.042","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4121440","23.215","0.006","46.98","0.012","22.848","0.006","90","","90.171","0.002","90","","24919","11","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C220 H194 Au2 Cu9 F48 K N40 O3 P8 -","- C220 H192 Au2 Cu9 F48 K N40 O3 P8 -","- C880 H768 Au8 Cu36 F192 K4 N160 O12 P32 -","4","0.5","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.6889","synchrotron","","0.1312","0.1172","","","0.3297","0.3418","","","","","","1.546","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121441","35.492","0.009","35.492","0.009","20.593","0.005","90","","90","","90","","25941","11","100","2","100","2","","","","","","","","6","P -4","P -4","81","","","","- C208 H168 B8 Cu8 F32 N32 -","- C208 H168 B4 Cu8 F16 N32 -","- C832 H672 B16 Cu32 F64 N128 -","4","1","","Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.","Journal of the American Chemical Society","2014","136","10","3972","3980","10.1021/ja412964r","","","0.71073","MoKα","","0.1105","0.0841","","","0.2206","0.2384","","","","","","1.025","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121442","20.2363","0.0007","14.4798","0.0003","23.167","0.0008","90","","107.135","0.002","90","","6487","0.4","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H82 Co2 Fe2 N4 S4 -","- C73 H82 Co2 Fe2 N4 S4 -","- C292 H328 Co8 Fe8 N16 S16 -","4","1","","Albers, Antonia; Demeshko, Serhiy; Dechert, Sebastian; Saouma, Caroline T.; Mayer, James M.; Meyer, Franc","Fast Proton-Coupled Electron Transfer Observed for a High-Fidelity Structural and Functional [2Fe-2S] Rieske Model.","Journal of the American Chemical Society","2014","136","10","3946","3954","10.1021/ja412449v","","","0.71073","MoKα","","0.1128","0.0669","","","0.1397","0.1576","","","","","","1.05","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121443","9.9126","0.0004","41.2369","0.0014","15.839","0.0007","90","","108.107","0.003","90","","6153.8","0.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H89 Fe2 N8 O S4 -","- C60 H89 Fe2 N8 O S4 -","- C240 H356 Fe8 N32 O4 S16 -","4","1","","Albers, Antonia; Demeshko, Serhiy; Dechert, Sebastian; Saouma, Caroline T.; Mayer, James M.; Meyer, Franc","Fast Proton-Coupled Electron Transfer Observed for a High-Fidelity Structural and Functional [2Fe-2S] Rieske Model.","Journal of the American Chemical Society","2014","136","10","3946","3954","10.1021/ja412449v","","","0.71073","MoKα","","0.1146","0.0673","","","0.1481","0.168","","","","","","1.01","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121444","10.2488","0.0004","15.4826","0.0007","17.6402","0.0007","73.265","0.003","81.038","0.003","88.624","0.003","2647.2","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H67 Fe2 N7 O3 S4 -","- C51 H67 Fe2 N7 O3 S4 -","- C102 H134 Fe4 N14 O6 S8 -","2","1","","Albers, Antonia; Demeshko, Serhiy; Dechert, Sebastian; Saouma, Caroline T.; Mayer, James M.; Meyer, Franc","Fast Proton-Coupled Electron Transfer Observed for a High-Fidelity Structural and Functional [2Fe-2S] Rieske Model.","Journal of the American Chemical Society","2014","136","10","3946","3954","10.1021/ja412449v","","","0.71073","MoKα","","0.0733","0.05","","","0.1215","0.1311","","","","","","1.039","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121445","9.9172","0.0008","9.9172","0.0008","13.033","0.002","90","","90","","120","","1110.1","0.2","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Mn Na4 U6 -","- F30 Mn Na4.00002 U6 -","- F60 Mn2 Na8.00004 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0512","0.0449","","","0.1089","0.1119","","","","","","1.187","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121446","9.8882","0.0003","9.8882","0.0003","13.0152","0.0009","90","","90","","120","","1102.09","0.09","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Co F30 Na4 U6 -","- Co F30 Na4.00002 U6 -","- Co2 F60 Na8.00004 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0342","0.0304","","","0.0676","0.0689","","","","","","1.148","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121447","9.8623","0.0006","9.8623","0.0006","13.0147","0.0016","90","","90","","120","","1096.28","0.16","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Na4 Ni U6 -","- F30 Na4.00002 Ni U6 -","- F60 Na8.00004 Ni2 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0407","0.0367","","","0.088","0.0898","","","","","","1.161","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121448","9.8826","0.0003","9.8826","0.0003","13.0106","0.0008","90","","90","","120","","1100.45","0.08","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Cu F30 Na4 U6 -","- Cu F30 Na4.02 U6 -","- Cu2 F60 Na8.04 U12 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0327","0.0299","","","0.0702","0.0713","","","","","","1.225","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121449","9.8783","0.0007","9.8783","0.0007","13.0455","0.0018","90","","90","","120","","1102.44","0.19","100","2","100","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- F30 Na4 U6 Zn -","- F30 Na4.0002 U6 Zn -","- F60 Na8.0004 U12 Zn2 -","2","0.166667","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na4MU6F30 (M = Mn(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+)) Crystal Growth, Structures, and Magnetic Properties.","Journal of the American Chemical Society","2014","136","10","3955","3963","10.1021/ja412725r","","","0.71073","MoKα","","0.0469","0.0361","","","0.0719","0.0757","","","","","","1.079","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121450","15.647","0.0007","17.5051","0.0008","18.3972","0.0009","89.321","0.001","71.715","0.001","69.433","0.001","4452.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H73 O2 P -","- C53 H73 O2 P -","- C212 H292 O8 P4 -","4","2","","Lee, Hong Geun; Milner, Phillip J.; Buchwald, Stephen L.","Pd-catalyzed nucleophilic fluorination of aryl bromides.","Journal of the American Chemical Society","2014","136","10","3792","3795","10.1021/ja5009739","","","0.71073","MoKα","","0.0777","0.0667","","","0.18","0.1927","","","","","","1.052","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121451","6.5811","0.0011","7.0763","0.0012","33.062","0.006","90","","90","","90","","1539.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O3 -","- C17 H16 Cl N O3 -","- C68 H64 Cl4 N4 O12 -","4","1","","Teng, Huai-Long; Yao, Lu; Wang, Chun-Jiang","Cu(I)-Catalyzed Regio- and Stereoselective [6 + 3] Cycloaddition of Azomethine Ylides with Tropone: An Efficient Asymmetric Access to Bridged Azabicyclo[4.3.1]decadienes.","Journal of the American Chemical Society","2014","136","10","4075","4080","10.1021/ja500878c","","","0.71073","MoKα","","0.044","0.0359","","","0.0757","0.0805","","","","","","0.995","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121452","23.505","0.003","15.5207","0.0017","20.919","0.002","90","","90","","90","","7631.5","1.5","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H17 Cl N2 O3 -","- C17 H17 Cl N2 O3 -","- C272 H272 Cl16 N32 O48 -","16","2","","Teng, Huai-Long; Yao, Lu; Wang, Chun-Jiang","Cu(I)-Catalyzed Regio- and Stereoselective [6 + 3] Cycloaddition of Azomethine Ylides with Tropone: An Efficient Asymmetric Access to Bridged Azabicyclo[4.3.1]decadienes.","Journal of the American Chemical Society","2014","136","10","4075","4080","10.1021/ja500878c","","","0.71073","MoKα","","0.0807","0.0564","","","0.1611","0.1793","","","","","","1.092","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121453","10.5501","0.0007","10.8464","0.0008","14.8158","0.001","97.7821","0.0009","96.6675","0.0009","101.584","0.0008","1627.5","0.2","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H34 N4 -","- C46 H34 N4 -","- C92 H68 N8 -","2","1","","Shima, Kentaro; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro","Enhancing the versatility and functionality of fast photochromic bridged imidazole dimers by flipping imidazole rings.","Journal of the American Chemical Society","2014","136","10","3796","3799","10.1021/ja501028v","","","0.71073","MoKα","","0.0448","0.0389","","","0.0917","0.0965","","","","","","1.005","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121454","13.309","0.003","13.381","0.003","18.906","0.004","90","","98.895","0.003","90","","3326.4","1.3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 N4 -","- C46 H34 N4 -","- C184 H136 N16 -","4","1","","Shima, Kentaro; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro","Enhancing the versatility and functionality of fast photochromic bridged imidazole dimers by flipping imidazole rings.","Journal of the American Chemical Society","2014","136","10","3796","3799","10.1021/ja501028v","","","0.71073","MoKα","","0.0545","0.0433","","","0.101","0.1075","","","","","","1.013","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121455","4.9531","0.0001","12.3326","0.0003","29.4659","0.0007","90","","90","","90","","1799.91","0.07","120","2","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Cong, Huan; Fu, Gregory C.","Catalytic enantioselective cyclization/cross-coupling with alkyl electrophiles.","Journal of the American Chemical Society","2014","136","10","3788","3791","10.1021/ja500706v","","","1.54178","CuKα","","0.0249","0.0244","","","0.0617","0.0627","","","","","","1.053","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121456","7.5438","0.0006","10.6784","0.0009","32.488","0.003","90","","90","","90","","2617.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 Br O4 -","- C29 H35 Br O4 -","- C116 H140 Br4 O16 -","4","1","","Oblak, E. Zachary; Vanheyst, Michael D.; Li, Jin; Wiemer, Andrew J.; Wright, Dennis L.","Cyclopropene cycloadditions with annulated furans: total synthesis of (+)- and (-)-frondosin B and (+)-frondosin a.","Journal of the American Chemical Society","2014","136","11","4309","4315","10.1021/ja413106t","","","1.54178","CuKα","","0.029","0.0283","","","0.0731","0.0737","","","","","","1.028","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121457","7.0876","0.0017","8.3046","0.0019","10.113","0.002","90","","109.547","0.014","90","","560.9","0.2","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H10 Br2 O3 -","- C11 H10 Br2 O3 -","- C22 H20 Br4 O6 -","2","1","","Oblak, E. Zachary; Vanheyst, Michael D.; Li, Jin; Wiemer, Andrew J.; Wright, Dennis L.","Cyclopropene cycloadditions with annulated furans: total synthesis of (+)- and (-)-frondosin B and (+)-frondosin a.","Journal of the American Chemical Society","2014","136","11","4309","4315","10.1021/ja413106t","","","0.71075","MoKα","","","0.0532","","","","0.0868","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121458","9.68701","0.00018","10.1076","0.0002","13.631","0.001","100.102","0.007","104.084","0.007","109.826","0.008","1168.12","0.14","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 O4 Si -","- C25 H34 O4 Si -","- C50 H68 O8 Si2 -","2","1","","Oblak, E. Zachary; Vanheyst, Michael D.; Li, Jin; Wiemer, Andrew J.; Wright, Dennis L.","Cyclopropene cycloadditions with annulated furans: total synthesis of (+)- and (-)-frondosin B and (+)-frondosin a.","Journal of the American Chemical Society","2014","136","11","4309","4315","10.1021/ja413106t","","","1.54187","CuKα","","","0.0404","","","","0.1103","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121459","17.8348","0.0017","17.8348","0.0017","17.8348","0.0017","90","","90","","90","","5672.9","0.9","363.15","","363.15","","","","","","","","","4","P n -3","-P 2ab 2bc 3","201","","MOF-801","","- C24 H12 O32 Zr6 -","- C24 H12 O32 Zr6 -","- C96 H48 O128 Zr24 -","4","","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","0.7749","","","0.1002","0.0619","","","0.1553","0.1733","","","","","","1.095","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121460","17.809","0.006","17.831","0.006","17.812","0.006","90.031","0.006","90.182","0.006","89.999","0.006","5656","3","100","","100.15","","","","","","","","","4","P -1","-P 1","2","","MOF-801(SC)","","- C48 H24 O81.17 Zr12 -","- C48 H24 O81.1663 Zr12 -","- C96 H48 O162.333 Zr24 -","2","1","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","0.6199","","","0.2137","0.1763","","","0.3982","0.4263","","","","","","1.053","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121461","39.222","0.003","26.018","0.002","27.887","0.002","90","","90","","90","","28458","4","100","2","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C39.17 H16 N14.5 O38.92 Zr6 -","- C39.1666 H16 N14.5 O38.9166 Zr6 -","- C626.666 H256 N232 O622.666 Zr96 -","16","1","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","1.54178","CuKα","","0.0388","0.0382","","","0.1135","0.1157","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121462","17.8736","0.0005","17.8736","","17.8736","","90","","90","","90","","5710","0.16","","","","","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- C4 H2.04 D1.01 O5.78 Zr -","- C4 H2.03667 D1.013 O5.77633 Zr -","- C96 H48.88 D24.312 O138.632 Zr24 -","24","1","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","powder diffraction","neutron","2.078","","","","","","","","","0.05931","","1.01","","","","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121463","35.0764","0.001","35.0764","0.001","35.0764","0.001","90","","90","","90","","43156","2","100","","100.15","","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","","","","- C24 H6 O44.35 Zr6 -","- C24 H6 O44.35 Zr6 -","- C384 H96 O709.6 Zr96 -","16","","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","0.7749","","","0.0475","0.0396","","","0.1334","0.1431","","","","","","1.126","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121464","17.9309","0.0004","17.9309","0.0004","17.9309","0.0004","90","","90","","90","","5765.1","0.2","150","2","150.15","","","","","","","","","4","P n -3","-P 2ab 2bc 3","201","","","","- C24 H12 O34.7 Zr6 -","- C24 H12 O34.7 Zr6 -","- C96 H48 O138.8 Zr24 -","4","","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","1.54178","CuKα","","0.0437","0.0393","","","0.1367","0.1407","","","","","","1.249","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121465","14.6766","0.0006","14.6766","0.0006","28.0033","0.001","90","","90","","90","","6032","0.4","150","2","150","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C62 H36 O36 Zr6 -","- C62 H32 O35.04 Zr6 -","- C124 H64 O70.08 Zr12 -","2","0.125","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","0.71073","MoKα","","0.0597","0.0519","","","0.1763","0.1897","","","","","","1.233","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121466","26.8514","0.0007","26.8514","0.0007","26.8514","0.0007","90","","90","","90","","19359.8","0.9","100","","100.15","","","","","","","","","4","F m -3","-F 2 2 3","202","","MOF-806","","- C84 H24 O49.5 Zr6 -","- C84 H24 O49.5 Zr6 -","- C336 H96 O198 Zr24 -","4","0.0416667","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","1.54178","CuKα","","0.0663","0.0631","","","0.2346","0.2388","","","","","","1.297","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121467","23.9651","0.0011","29.2842","0.0013","17.3545","0.0009","90","","96.301","0.002","90","","12105.8","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C95 N0.67 O39.67 Zr6 -","- C94.9998 N0.6666 O39.6666 Zr6 -","- C379.999 N2.6664 O158.666 Zr24 -","4","0.5","","Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.","Water adsorption in porous metal-organic frameworks and related materials.","Journal of the American Chemical Society","2014","136","11","4369","4381","10.1021/ja500330a","","","1.54178","CuKα","","0.0913","0.0732","","","0.2086","0.2288","","","","","","1.084","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121468","10.18","0.0006","11.332","0.0006","14.443","0.0008","92.58","0.004","99.537","0.005","106.924","0.005","1564.26","0.16","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C32 H56 O3 P2 Ru -","- C32 H56 O3 P2 Ru -","- C64 H112 O6 P4 Ru2 -","2","1","","Bontemps, Sébastien; Vendier, Laure; Sabo-Etienne, Sylviane","Ruthenium-catalyzed reduction of carbon dioxide to formaldehyde.","Journal of the American Chemical Society","2014","136","11","4419","4425","10.1021/ja500708w","","x-ray","0.71073","MoKα","","0.0528","0.0454","","","0.1054","0.1098","","","","","","1.029","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121469","13.2848","0.0002","13.6995","0.0005","18.5567","0.0003","90","","101.855","0.002","90","","3305.19","0.14","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H57 O4 P2 Ru -","- C33 H57 O4 P2 Ru -","- C132 H228 O16 P8 Ru4 -","4","1","","Bontemps, Sébastien; Vendier, Laure; Sabo-Etienne, Sylviane","Ruthenium-catalyzed reduction of carbon dioxide to formaldehyde.","Journal of the American Chemical Society","2014","136","11","4419","4425","10.1021/ja500708w","","x-ray","0.71073","MoKα","","0.1072","0.0948","","","0.2438","0.2564","","","","","","1.031","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121470","12.885","0.005","24.182","0.005","27.632","0.005","64.995","0.005","81.383","0.005","75.589","0.005","7547","4","100","","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C37 H69 B O3 P2 Ru -","- C37 H69 B O3 P2 Ru -","- C296 H552 B8 O24 P16 Ru8 -","8","4","","Bontemps, Sébastien; Vendier, Laure; Sabo-Etienne, Sylviane","Ruthenium-catalyzed reduction of carbon dioxide to formaldehyde.","Journal of the American Chemical Society","2014","136","11","4419","4425","10.1021/ja500708w","","","0.71073","MoKα","","0.0426","0.0296","","","0.0658","0.0725","","","","","","1.016","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121471","9.2259","0.0005","10.2376","0.0005","11.1572","0.0006","69.55","0.003","76.935","0.003","84.815","0.003","961.76","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N2 O5 S -","- C18 H26 N2 O5 S -","- C36 H52 N4 O10 S2 -","2","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.08","0.0532","","","0.1412","0.1578","","","","","","1.063","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121472","6.062","0.0005","12.0849","0.001","48.626","0.004","90","","90","","90","","3562.3","0.5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 N2 O3 S -","- C38 H60 N2 O3 S -","- C152 H240 N8 O12 S4 -","4","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.1638","0.0737","","","0.1326","0.1749","","","","","","0.953","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121473","7.3922","0.0005","13.9405","0.0008","34.054","0.002","90","","90","","90","","3509.3","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 N2 O3 S -","- C38 H60 N2 O3 S -","- C152 H240 N8 O12 S4 -","4","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.1115","0.0554","","","0.1229","0.1669","","","","","","0.986","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121474","9.0914","0.0004","10.2457","0.0005","11.6359","0.0006","90","","92.762","0.003","90","","1082.6","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O5 S -","- C23 H30 N2 O5 S -","- C46 H60 N4 O10 S2 -","2","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.0644","0.0476","","","0.1254","0.1515","","","","","","0.761","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121475","13.1014","0.0013","12.7136","0.0011","10.5927","0.001","90","","95.941","0.003","90","","1754.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.1187","0.0657","","","0.169","0.2025","","","","","","1.062","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121476","5.0571","0.0002","21.8253","0.0008","15.7019","0.0006","90","","92.918","0.002","90","","1730.81","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","TAF89C","toste97","","- C21 H17 Br F N O -","- C21 H17 Br F N O -","- C84 H68 Br4 F4 N4 O4 -","4","2","","Talbot, Eric P. A.; Fernandes, Talita de A; McKenna, Jeffrey M.; Toste, F. Dean","Asymmetric palladium-catalyzed directed intermolecular fluoroarylation of styrenes.","Journal of the American Chemical Society","2014","136","11","4101","4104","10.1021/ja412881j","","","0.71073","MoKα","","0.0349","0.0291","","","0.0518","0.0531","","","","","","1.014","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121477","14.0952","0.001","10.4443","0.0007","18.2567","0.0012","90","","99.535","0.001","90","","2650.5","0.3","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H46 Co N P2 Si -","- C23 H46 Co N P2 Si -","- C92 H184 Co4 N4 P8 Si4 -","4","1","","Obligacion, Jennifer V.; Semproni, Scott P.; Chirik, Paul J.","Cobalt-catalyzed C-h borylation.","Journal of the American Chemical Society","2014","136","11","4133","4136","10.1021/ja500712z","","","0.71073","MoKα","","0.023","0.0207","","","0.0538","0.0552","","","","","","1.043","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121478","11.0403","0.0004","33.7265","0.0008","8.0786","0.0002","90","","90","","90","","3008.07","0.15","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C25 H49 B Co N O2 P2 -","- C25 H49 B Co N O2 P2 -","- C100 H196 B4 Co4 N4 O8 P8 -","4","0.5","","Obligacion, Jennifer V.; Semproni, Scott P.; Chirik, Paul J.","Cobalt-catalyzed C-h borylation.","Journal of the American Chemical Society","2014","136","11","4133","4136","10.1021/ja500712z","","","1.54178","CuKα","","0.0409","0.0384","","","0.108","0.1093","","","","","","1.083","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121479","9.0834","0.0003","14.4022","0.0005","18.6785","0.0008","68.213","0.002","88.702","0.003","88.899","0.002","2268.26","0.15","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cl3 N5 O11 U -","- C46 H46 Cl3 N5 O11 U -","- C92 H92 Cl6 N10 O22 U2 -","2","1","","Ho, I-Ting; Zhang, Zhan; Ishida, Masatoshi; Lynch, Vincent M.; Cha, Won-Young; Sung, Young Mo; Kim, Dongho; Sessler, Jonathan L.","A Hybrid Macrocycle with a Pyridine Subunit Displays Aromatic Character upon Uranyl Cation Complexation.","Journal of the American Chemical Society","2014","136","11","4281","4286","10.1021/ja412520g","","","0.71073","MoKα","","0.0542","0.0353","","","0.0701","0.0769","","","","","","0.985","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121480","14.1607","0.0009","21.6697","0.0014","16.7388","0.0009","90","","106.766","0.004","90","","4918.1","0.5","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H0 N9 O4 S0 -","- C49 H61 N5 O11 S2 -","- C196 H244 N20 O44 S8 -","4","0.5","","Ho, I-Ting; Zhang, Zhan; Ishida, Masatoshi; Lynch, Vincent M.; Cha, Won-Young; Sung, Young Mo; Kim, Dongho; Sessler, Jonathan L.","A Hybrid Macrocycle with a Pyridine Subunit Displays Aromatic Character upon Uranyl Cation Complexation.","Journal of the American Chemical Society","2014","136","11","4281","4286","10.1021/ja412520g","","","0.71075","MoKα","","0.0605","0.055","","","0.1688","0.1778","","","","","","0.762","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121481","10.0069","0.0002","15.8048","0.0003","16.6019","0.0012","90","","100.695","0.007","90","","2580.1","0.2","85","2","85","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 F N3 O3 Pd S -","- C27 H30 F N3 O3 Pd S -","- C108 H120 F4 N12 O12 Pd4 S4 -","4","1","","Pérez-Temprano, Mónica H; Racowski, Joy M.; Kampf, Jeff W.; Sanford, Melanie S.","Competition between sp(3)-C-N vs sp(3)-C-F Reductive Elimination from Pd(IV) Complexes.","Journal of the American Chemical Society","2014","136","11","4097","4100","10.1021/ja411433f","","","1.54178","CuKα","","0.0351","0.0334","","","0.0877","0.0886","","","","","","1.074","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121482","8.1341","0.0001","11.4864","0.0002","13.8266","0.001","83.636","0.006","76.609","0.005","73.151","0.005","1201.44","0.1","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 N3 O2 Pd S -","- C27 H27 N3 O2 Pd S -","- C54 H54 N6 O4 Pd2 S2 -","2","1","","Pérez-Temprano, Mónica H; Racowski, Joy M.; Kampf, Jeff W.; Sanford, Melanie S.","Competition between sp(3)-C-N vs sp(3)-C-F Reductive Elimination from Pd(IV) Complexes.","Journal of the American Chemical Society","2014","136","11","4097","4100","10.1021/ja411433f","","","1.54178","CuKα","","0.0285","0.0284","","","0.0694","0.0695","","","","","","1.144","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121483","8.7508","0.0002","13.0966","0.0002","13.8038","0.001","113.119","0.008","90.846","0.006","107.26","0.007","1373.82","0.16","85","2","85","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H30 Cl2 F N3 O2 Pd S -","- C28 H30 Cl2 F N3 O2 Pd S -","- C56 H60 Cl4 F2 N6 O4 Pd2 S2 -","2","1","","Pérez-Temprano, Mónica H; Racowski, Joy M.; Kampf, Jeff W.; Sanford, Melanie S.","Competition between sp(3)-C-N vs sp(3)-C-F Reductive Elimination from Pd(IV) Complexes.","Journal of the American Chemical Society","2014","136","11","4097","4100","10.1021/ja411433f","","","1.54178","CuKα","","0.0307","0.0303","","","0.0797","0.0801","","","","","","1.074","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121484","18.4583","0.0015","18.8093","0.0015","26.944","0.002","90","","90","","90","","9354.6","1.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","CS-14145","hartwig33","","- C96 H81 Cl2 Ir2 N O11 P4 -","- C96 H81 Cl2 Ir2 N O11 P4 -","- C384 H324 Cl8 Ir8 N4 O44 P16 -","4","1","","Sevov, Christo S.; Zhou, Jianrong Steve; Hartwig, John F.","Iridium-Catalyzed, Intermolecular Hydroamination of Unactivated Alkenes with Indoles.","Journal of the American Chemical Society","2014","136","8","3200","","10.1021/ja412116d","","","0.71073","MoKα","","0.0485","0.0391","","","0.077","0.0803","","","","","","1.064","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121485","13.3232","0.0007","24.2827","0.0011","15.9879","0.0008","90","","109.445","0.0016","90","","4877.4","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","hb123","","","- C38 H38 F6 Ir N4 O2 P -","- C38 H38 F6 Ir N4 O2 P -","- C152 H152 F24 Ir4 N16 O8 P4 -","4","2","","Huo, Haohua; Fu, Chen; Harms, Klaus; Meggers, Eric","Asymmetric Catalysis with Substitutionally Labile yet Stereochemically Stable Chiral-at-Metal Iridium(III) Complex.","Journal of the American Chemical Society","2014","136","8","2990","2993","10.1021/ja4132505","","","0.71073","MoKα","","0.0328","0.0305","","","0.072","0.0728","","","","","","1.067","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121486","4.0955","0.0003","9.3869","0.0006","10.9006","0.0006","92.236","0.003","98.986","0.003","97.468","0.004","409.66","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 Cl2 N3 -","- C7 H5 Cl2 N3 -","- C14 H10 Cl4 N6 -","2","1","","Shannon, D. Alexander; Banerjee, Ranjan; Webster, Elizabeth R.; Bak, Daniel W.; Wang, Chu; Weerapana, Eranthie","Investigating the proteome reactivity and selectivity of aryl halides.","Journal of the American Chemical Society","2014","136","9","3330","3333","10.1021/ja4116204","","","0.71073","MoKα","","0.0359","0.0281","","","0.0688","0.0748","","","","","","1.067","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121487","8.8558","0.0006","10.4095","0.0007","11.3264","0.0007","89.959","0.002","68.696","0.002","68.458","0.002","894.15","0.1","100","2","99.97","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 I O6 -","- C20 H19 I O6 -","- C40 H38 I2 O12 -","2","1","","Qi, Chao; Qin, Tian; Suzuki, Daisuke; Porco, Jr, John A","Total synthesis and stereochemical assignment of (±)-sorbiterrin a.","Journal of the American Chemical Society","2014","136","9","3374","3377","10.1021/ja500854q","","","1.54178","CuKα","","0.0442","0.0416","","","0.1051","0.1054","","","","","","1.112","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121488","10.0191","0.0003","10.3912","0.0003","15.5553","0.0005","90","","98.703","0.001","90","","1600.82","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 O6 -","- C18.229 H18.068 O5.517 -","- C72.916 H72.272 O22.068 -","4","1","","Qi, Chao; Qin, Tian; Suzuki, Daisuke; Porco, Jr, John A","Total synthesis and stereochemical assignment of (±)-sorbiterrin a.","Journal of the American Chemical Society","2014","136","9","3374","3377","10.1021/ja500854q","","","1.54178","CuKα","","0.1139","0.1131","","","0.2492","0.2496","","","","","","3.1","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121489","25.87","0.008","8.298","0.003","24.8","0.008","90","","107.769","0.006","90","","5070","3","200","2","200","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H80 Cr N6 -","- C54 H80 Cr N6 -","- C216 H320 Cr4 N24 -","4","1","","Shen, Jingmei; Yap, Glenn P. A.; Theopold, Klaus H.","Chromium mediated reductive coupling of isonitrile forms unusual heterocycles.","Journal of the American Chemical Society","2014","136","9","3382","3384","10.1021/ja501291p","","","0.71073","MoKα","","0.1084","0.0682","","","0.1568","0.1837","","","","","","1.04","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121490","21.584","0.008","25.618","0.009","32.868","0.011","90","","90","","90","","18174","11","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C96 H143 Cr2 N10 O0.5 -","- C96 H143 Cr2 N10 O0.5 -","- C768 H1144 Cr16 N80 O4 -","8","1","","Shen, Jingmei; Yap, Glenn P. A.; Theopold, Klaus H.","Chromium mediated reductive coupling of isonitrile forms unusual heterocycles.","Journal of the American Chemical Society","2014","136","9","3382","3384","10.1021/ja501291p","","","0.71073","MoKα","","0.1098","0.0648","","","0.1438","0.1731","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121491","29.418","0.009","13.005","0.004","27.439","0.013","90","","112.616","0.005","90","","9690","6","195","2","195","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H158 Cr2 N10 O2 -","- C94 H138 Cr2 N10 -","- C376 H552 Cr8 N40 -","4","0.5","","Shen, Jingmei; Yap, Glenn P. A.; Theopold, Klaus H.","Chromium mediated reductive coupling of isonitrile forms unusual heterocycles.","Journal of the American Chemical Society","2014","136","9","3382","3384","10.1021/ja501291p","","","0.71073","MoKα","","0.1782","0.0831","","","0.1595","0.1947","","","","","","1.014","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121492","12.724","0.0012","15.622","0.0016","37.4","0.004","90","","99.11","0.02","90","","7340.4","1.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H116 Cr2 N8 -","- C80 H116 Cr2 N8 -","- C320 H464 Cr8 N32 -","4","1","","Shen, Jingmei; Yap, Glenn P. A.; Theopold, Klaus H.","Chromium mediated reductive coupling of isonitrile forms unusual heterocycles.","Journal of the American Chemical Society","2014","136","9","3382","3384","10.1021/ja501291p","","","0.71073","MoKα","","0.1023","0.0738","","","0.1814","0.2285","","","","","","1.012","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121493","13.796","0.007","9.955","0.005","18.18","0.007","90","","129.66","0.02","90","","1922.2","1.7","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 N6 -","- C42 H68 N6 -","- C84 H136 N12 -","2","0.5","","Shen, Jingmei; Yap, Glenn P. A.; Theopold, Klaus H.","Chromium mediated reductive coupling of isonitrile forms unusual heterocycles.","Journal of the American Chemical Society","2014","136","9","3382","3384","10.1021/ja501291p","","","0.71073","MoKα","","0.1435","0.0606","","","0.0919","0.1123","","","","","","1.012","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121494","8.9759","0.001","11.1688","0.0013","12.3629","0.0014","68.596","0.002","69.139","0.002","77.785","0.002","1073.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 F N3 O4 S -","- C23 H20 F N3 O4 S -","- C46 H40 F2 N6 O8 S2 -","2","1","","Shang, Ming; Sun, Shang-Zheng; Dai, Hui-Xiong; Yu, Jin-Quan","Cu(II)-Mediated C-H Amidation and Amination of Arenes: Exceptional Compatibility with Heterocycles.","Journal of the American Chemical Society","2014","136","9","3354","3357","10.1021/ja412880r","","","0.71073","MoKα","","0.0637","0.048","","","0.1316","0.1456","","","","","","1.037","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121495","27.175","0.0009","27.175","0.0009","5.2579","0.0002","90","","90","","90","","3882.9","0.2","100","2","100","2","","","","","","","","6","I 4","I 4","79","","","","- C22 H19 Br N O P -","- C22 H19 Br N O P -","- C176 H152 Br8 N8 O8 P8 -","8","1","","Mszar, Nicholas W.; Haeffner, Fredrik; Hoveyda, Amir H.","NHC-Cu-Catalyzed Addition of Propargylboron Reagents to Phosphinoylimines. Enantioselective Synthesis of Trimethylsilyl-Substituted Homoallenylamides and Application to the Synthesis of S-(-)-Cyclooroidin.","Journal of the American Chemical Society","2014","136","9","3362","3365","10.1021/ja500373s","","","0.71073","MoKα","","0.1098","0.077","","","0.1752","0.1901","","","","","","1.058","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121496","19.8739","0.0008","10.2459","0.0005","24.6435","0.0009","90","","96.599","0.003","90","","4984.8","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H27 Br N O P Si -","- C25 H27 Br N O P Si -","- C200 H216 Br8 N8 O8 P8 Si8 -","8","4","","Mszar, Nicholas W.; Haeffner, Fredrik; Hoveyda, Amir H.","NHC-Cu-Catalyzed Addition of Propargylboron Reagents to Phosphinoylimines. Enantioselective Synthesis of Trimethylsilyl-Substituted Homoallenylamides and Application to the Synthesis of S-(-)-Cyclooroidin.","Journal of the American Chemical Society","2014","136","9","3362","3365","10.1021/ja500373s","","","1.54178","CuKα","","0.0999","0.0626","","","0.153","0.1717","","","","","","1.013","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121497","5.3586","0.0005","15.5598","0.0015","21.571","0.002","90","","94.462","0.005","90","","1793.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N O P -","- C22 H20 N O P -","- C88 H80 N4 O4 P4 -","4","2","","Mszar, Nicholas W.; Haeffner, Fredrik; Hoveyda, Amir H.","NHC-Cu-Catalyzed Addition of Propargylboron Reagents to Phosphinoylimines. Enantioselective Synthesis of Trimethylsilyl-Substituted Homoallenylamides and Application to the Synthesis of S-(-)-Cyclooroidin.","Journal of the American Chemical Society","2014","136","9","3362","3365","10.1021/ja500373s","","","0.71073","MoKα","","0.0305","0.0297","","","0.0785","0.0791","","","","","","1.066","","","","has coordinates,has disorder","179016","2020-10-21","18:00:00",""
"4121498","11.5293","0.001","12.2573","0.001","16.7699","0.0014","94.757","0.004","101.488","0.004","115.104","0.004","2065.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Complex 2","","","- C39 H60 Cl N4 P3 Th -","- C39 H60 Cl N4 P3 Th -","- C78 H120 Cl2 N8 P6 Th2 -","2","1","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.0766","0.047","","","0.0666","0.0743","","","","","","1.006","","","","has coordinates","275247","2022-05-09","01:36:16",""
"4121499","13.5354","0.0004","16.0795","0.0003","33.6127","0.0008","95.019","0.001","97.555","0.001","106.033","0.001","6910.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Complex 3","","","- C39 H60 Cl N4 P3 U -","- C39 H60 Cl N4 P3 U -","- C234 H360 Cl6 N24 P18 U6 -","6","3","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.107","0.0547","","","0.0984","0.1109","","","","","","0.927","","","","has coordinates","275247","2022-05-09","01:36:46",""
"4121500","11.2506","0.0014","15.9358","0.0019","29.701","0.004","82.195","0.006","83.056","0.006","83.218","0.006","5208.9","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex 4","","","- C46.5 H64 Co N4 O4 P3 Th -","- C46.5 H64 Co N4 O4 P3 Th -","- C186 H256 Co4 N16 O16 P12 Th4 -","4","2","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.0659","0.0423","","","0.0715","0.0765","","","","","","1.039","","","","has coordinates","275247","2022-05-09","01:36:48",""
"4121501","23.0608","0.0009","14.0118","0.0006","14.0919","0.0006","90","","90","","90","","4553.4","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","Complex 5","","","- C43 H60 Co N4 O4 P3 U -","- C43 H60 Co N4 O4 P3 U -","- C172 H240 Co4 N16 O16 P12 U4 -","4","1","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.0654","0.0479","","","0.1112","0.1175","","","","","","0.955","","","","has coordinates","275247","2022-05-09","01:37:06",""
"4121502","11.0757","0.0007","14.0911","0.0008","18.714","0.0011","80.318","0.002","74.876","0.002","89.511","0.003","2777.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex 6","","","- C42 H60 Co N4 O3 P3 Th -","- C42 H60 Co N4 O3 P3 Th -","- C84 H120 Co2 N8 O6 P6 Th2 -","2","1","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.0357","0.0304","","","0.0716","0.0736","","","","","","1.039","","","","has coordinates","275247","2022-05-09","01:37:09",""
"4121503","14.0553","0.0004","18.7308","0.0005","22.2945","0.0006","73.83","0.001","89.024","0.001","80.541","0.001","5558","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex 7","","","- C52.5 H72 Co N4 O3 P3 U -","- C52.5 H72 Co N4 O3 P3 U -","- C210 H288 Co4 N16 O12 P12 U4 -","4","2","","Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John","Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.","Journal of the American Chemical Society","2014","136","9","3647","3654","10.1021/ja413192m","","","0.71073","MoKα","","0.0598","0.0439","","","0.0937","0.0986","","","","","","1.057","","","","has coordinates","275247","2022-05-09","01:37:18",""
"4121504","15.408","0.003","13.224","0.003","20.014","0.004","90","","104.28","0.03","90","","3952","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis-cyclopentadienylruthenium dicarbonyl[C60]fullerene","","","- C74 H10 O4 Ru2 -","- C74 H10 O4 Ru2 -","- C296 H40 O16 Ru8 -","4","1","","Bowles, Faye L.; Olmstead, Marilyn M.; Balch, Alan L.","Preparation and Crystallographic Characterization of C60{η(1)-Ru(CO)2(η(5)-C5H5)}2: A Locally Crowded Organometallic Fullerene Without the Usual η(2)-Bonding.","Journal of the American Chemical Society","2014","136","9","3338","3341","10.1021/ja4120677","","","0.7749","synchrotron","","0.0562","0.051","","","0.1545","0.1581","","","","","","1.148","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121505","9.4299","0.0005","10.1574","0.0005","12.4173","0.0006","90","","91.865","0.007","90","","1188.74","0.1","98","2","98","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 Br3 O4 -","- C26 H25 Br3 O4 -","- C52 H50 Br6 O8 -","2","1","","Morisaki, Yasuhiro; Gon, Masayuki; Sasamori, Takahiro; Tokitoh, Norihiro; Chujo, Yoshiki","Planar chiral tetrasubstituted [2.2]paracyclophane: optical resolution and functionalization.","Journal of the American Chemical Society","2014","136","9","3350","3353","10.1021/ja412197j","","","0.71075","MoKa","","0.0328","0.0275","","","0.0539","0.067","","","","","","1.089","","","","has coordinates","275213","2022-05-08","20:58:49",""
"4121506","31.272","0.005","20.035","0.003","9.3941","0.0014","90","","94.822","0.008","90","","5864.9","1.6","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C72 H68 O4 -","- C72 H68 O4 -","- C288 H272 O16 -","4","0.5","","Morisaki, Yasuhiro; Gon, Masayuki; Sasamori, Takahiro; Tokitoh, Norihiro; Chujo, Yoshiki","Planar chiral tetrasubstituted [2.2]paracyclophane: optical resolution and functionalization.","Journal of the American Chemical Society","2014","136","9","3350","3353","10.1021/ja412197j","","","0.71075","MoKa","","0.1817","0.1185","","","0.3363","0.396","","","","","","1.385","","","","has coordinates,has disorder","275199","2022-05-07","03:20:01",""
"4121507","6.4145","0.0003","14.2125","0.0006","15.8067","0.0007","90","","100.228","0.007","90","","1418.14","0.11","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 Br3 Cl3 O4 -","- C27 H26 Br3 Cl3 O4 -","- C54 H52 Br6 Cl6 O8 -","2","1","","Morisaki, Yasuhiro; Gon, Masayuki; Sasamori, Takahiro; Tokitoh, Norihiro; Chujo, Yoshiki","Planar chiral tetrasubstituted [2.2]paracyclophane: optical resolution and functionalization.","Journal of the American Chemical Society","2014","136","9","3350","3353","10.1021/ja412197j","","","0.71075","MoKa","","0.0298","0.0258","","","0.0459","0.0484","","","","","","1.016","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121508","16.706","0.0004","10.6702","0.0004","14.0656","0.0004","90","","97.273","0.005","90","","2487.11","0.13","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 N7 -","- C31 H27 N7 -","- C124 H108 N28 -","4","0.5","","Stadler, Adrian-Mihail; Lehn, Jean-Marie P","Coupled Nanomechanical Motions: Metal-Ion-Effected, pH-Modulated, Simultaneous Extension/Contraction Motions of Double-Domain Helical/Linear Molecular Strands.","Journal of the American Chemical Society","2014","136","9","3400","3409","10.1021/ja408752m","","","0.71073","MoKα","","0.0914","0.0563","","","0.1178","0.1305","","","","","","1.029","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121509","11.7399","0.0007","15.2644","0.0009","16.1523","0.001","92.087","0.001","108.693","0.001","104.202","0.001","2637.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H31 F12 N11 O12 Pb2 S4 -","- C40 H31 F12 N11 O12 Pb2 S4 -","- C80 H62 F24 N22 O24 Pb4 S8 -","2","1","","Stadler, Adrian-Mihail; Lehn, Jean-Marie P","Coupled Nanomechanical Motions: Metal-Ion-Effected, pH-Modulated, Simultaneous Extension/Contraction Motions of Double-Domain Helical/Linear Molecular Strands.","Journal of the American Chemical Society","2014","136","9","3400","3409","10.1021/ja408752m","","","0.71073","MoKα","","0.0706","0.0435","","","0.1131","0.1253","","","","","","1.028","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121510","17.9002","0.0002","17.2758","0.0002","28.6959","0.0004","90","","106.539","0.001","90","","8506.78","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H57 F18 N25 O19 Pb3 S6 -","- C55 H57 F18 N25 O19 Pb3 S6 -","- C220 H228 F72 N100 O76 Pb12 S24 -","4","1","","Stadler, Adrian-Mihail; Lehn, Jean-Marie P","Coupled Nanomechanical Motions: Metal-Ion-Effected, pH-Modulated, Simultaneous Extension/Contraction Motions of Double-Domain Helical/Linear Molecular Strands.","Journal of the American Chemical Society","2014","136","9","3400","3409","10.1021/ja408752m","","","0.71073","MoKα","","0.142","0.0721","","","0.1583","0.1918","","","","","","1.067","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121511","13.7212","0.0001","16.5853","0.0002","21.4884","0.0002","97.914","0.001","99.687","0.001","91.271","0.001","4769.33","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H29.5 F12 N12.5 O12.5 Pb2 S4 -","- C32 H29.5 F12 N12.5 O12.5 Pb2 S4 -","- C128 H118 F48 N50 O50 Pb8 S16 -","4","2","","Stadler, Adrian-Mihail; Lehn, Jean-Marie P","Coupled Nanomechanical Motions: Metal-Ion-Effected, pH-Modulated, Simultaneous Extension/Contraction Motions of Double-Domain Helical/Linear Molecular Strands.","Journal of the American Chemical Society","2014","136","9","3400","3409","10.1021/ja408752m","","","0.71073","MoKα","","0.0829","0.0492","","","0.1148","0.1373","","","","","","1.038","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4121512","10.003","","15.818","","17.837","","113.04","","92.89","","105.44","","2465.12","","153","2","153","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","C60CH2SiMe2C6H4EHOdimer_CHCl3","","- C79 H30 Cl3 O Si -","- C79 H30 Cl3 O Si -","- C158 H60 Cl6 O2 Si2 -","2","1","","Abe, Yoko; Tanaka, Hideyuki; Guo, Yunlong; Matsuo, Yutaka; Nakamura, Eiichi","Mobility of long-lived fullerene radical in solid state and nonlinear temperature dependence.","Journal of the American Chemical Society","2014","136","9","3366","3369","10.1021/ja500340f","","x-ray","1.5418","CuKα","","0.2565","0.1366","","","0.3477","0.4407","","","","","","1.078","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121516","9.2666","0.0003","14.3505","0.0005","14.8731","0.0005","82.2","0.002","88.838","0.002","87.538","0.002","1957.51","0.11","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H36 F6 I N2 O6 Rh S2 -","- C36 H36 F6 I N2 O6 Rh S2 -","- C72 H72 F12 I2 N4 O12 Rh2 S4 -","2","1","","Xie, Fang; Qi, Zisong; Yu, Songjie; Li, Xingwei","Rh(III)- and Ir(III)-Catalyzed C-H Alkynylation of Arenes under Chelation Assistance.","Journal of the American Chemical Society","2014","136","12","4780","4787","10.1021/ja501910e","","","0.71073","MoKα","","0.0295","0.0255","","","0.0597","0.0627","","","","","","1.016","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121517","10.8806","0.0004","13.5311","0.0004","20.3845","0.0007","83.2982","0.0019","80.3787","0.0018","68.0669","0.0017","2739.92","0.16","100","2","100","","","","","","","","","10","P -1","-P 1","2","","","","- C56 H54 B2 Cl2 F8 N4 O2 P2 Pt S2 -","- C56 H54 B2 Cl2 F8 N4 O2 P2 Pt S2 -","- C112 H108 B4 Cl4 F16 N8 O4 P4 Pt2 S4 -","2","1","","McGuirk, C. Michael; Stern, Charlotte L.; Mirkin, Chad A.","Small molecule regulation of self-association and catalytic activity in a supramolecular coordination complex.","Journal of the American Chemical Society","2014","136","12","4689","4696","10.1021/ja500214r","","","0.71073","MoKα","","0.0641","0.0416","","","0.0884","0.0937","","","","","","0.97","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121518","8.6924","0.0006","8.9976","0.0006","29.0972","0.0018","90","","90","","90","","2275.7","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O5 Si -","- C23 H38 O5 Si -","- C92 H152 O20 Si4 -","4","1","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Acylammonium salts as dienophiles in diels-alder/lactonization organocascades.","Journal of the American Chemical Society","2014","136","12","4492","4495","10.1021/ja501005g","","","1.54178","CuKα","","0.0322","0.0299","","","0.0708","0.0715","","","","","","1.044","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121519","13.4034","0.0009","13.4037","0.0009","17.8225","0.0013","89.539","0.005","89.62","0.005","87.393","0.005","3198.4","0.4","110","","110","","","","","","","","","6","P 1","P 1","1","","","","- C30 H46 Br N O5 Si -","- C30 H46 Br N O5 Si -","- C120 H184 Br4 N4 O20 Si4 -","4","4","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Acylammonium salts as dienophiles in diels-alder/lactonization organocascades.","Journal of the American Chemical Society","2014","136","12","4492","4495","10.1021/ja501005g","","x-ray","1.54178","CuKα","","0.1063","0.0896","","","0.2171","0.2373","","","","","","1.089","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121520","16.6474","0.0007","34.4793","0.0014","19.1312","0.0008","90","","95.85","0.002","90","","10923.9","0.8","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H34 O5 Si -","- C20 H34 O5 Si -","- C400 H680 O100 Si20 -","20","10","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Acylammonium salts as dienophiles in diels-alder/lactonization organocascades.","Journal of the American Chemical Society","2014","136","12","4492","4495","10.1021/ja501005g","","","1.54178","CuKα","","0.061","0.0551","","","0.1469","0.1564","","","","","","1.069","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121521","17.5207","0.001","17.5207","0.001","15.1261","0.0018","90","","90","","90","","4643.3","0.7","173","2","173","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C39 H24 Co3 N5 O13 -","- C39 H24 Co3 N5 O13 -","- C156 H96 Co12 N20 O52 -","4","0.5","","Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally","Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.","Journal of the American Chemical Society","2014","136","12","4680","4688","10.1021/ja500191r","","","0.71073","MoKα","","0.0564","0.046","","","0.13","0.14","","","","","","1.071","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121522","17.5191","0.0012","17.5191","0.0012","15.163","0.002","90","","90","","90","","4653.8","0.8","110","2","110","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C36 H24 Co3 N2 O16 -","- C36 H24 Co3 N2 O16 -","- C144 H96 Co12 N8 O64 -","4","0.5","","Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally","Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.","Journal of the American Chemical Society","2014","136","12","4680","4688","10.1021/ja500191r","","","0.71073","MoKα","","0.046","0.0368","","","0.0937","0.0999","","","","","","1.1","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121523","17.5748","0.001","17.5748","0.001","15.2896","0.0018","90","","90","","90","","4722.6","0.7","298","2","298","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C30 H24 Co3 N2 O10 -","- C30 H24 Co3 N2 O10 -","- C120 H96 Co12 N8 O40 -","4","0.5","","Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally","Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.","Journal of the American Chemical Society","2014","136","12","4680","4688","10.1021/ja500191r","","","0.71073","MoKα","","0.072","0.0392","","","0.0802","0.0922","","","","","","1.04","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121524","17.5096","0.0004","17.5096","0.0004","15.1902","0.0007","90","","90","","90","","4657.1","0.3","173","2","173","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C36 H38 Co3 N2 O12 -","- C36 H38 Co3 N2 O12 -","- C144 H152 Co12 N8 O48 -","4","0.5","","Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally","Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.","Journal of the American Chemical Society","2014","136","12","4680","4688","10.1021/ja500191r","","","0.71073","MoKα","","0.0675","0.0637","","","0.1638","0.1662","","","","","","1.138","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121525","17.531","0.0009","17.531","0.0009","15.0883","0.0015","90","","90","","90","","4637.2","0.6","173","2","173","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C42 H36 Co3 N2 O10 -","- C42 H36 Co3 N2 O10 -","- C168 H144 Co12 N8 O40 -","4","0.5","","Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally","Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.","Journal of the American Chemical Society","2014","136","12","4680","4688","10.1021/ja500191r","","","0.71073","MoKα","","0.0529","0.0502","","","0.1451","0.1483","","","","","","1.117","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121526","39.1799","0.0004","39.1799","0.0004","34.8255","0.001","90","","90","","90","","53459.4","1.7","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C142 H88 Ir N40 O22 Pd1.5 Ru2 -","- C142 H88 Ir N40 O22 Pd1.5 Ru2 -","- C1136 H704 Ir8 N320 O176 Pd12 Ru16 -","8","1","","Li, Kang; Zhang, Lu-Yin; Yan, Cheng; Wei, Shi-Chao; Pan, Mei; Zhang, Li; Su, Cheng-Yong","Stepwise Assembly of Pd6(RuL3)8 Nanoscale Rhombododecahedral Metal-Organic Cages via Metalloligand Strategy for Guest Trapping and Protection.","Journal of the American Chemical Society","2014","136","12","4456","4459","10.1021/ja410044r","","","1.54178","CuKα","","0.1566","0.0872","","","0.1787","0.1977","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121527","8.0386","0.0016","9.6277","0.0019","24.585","0.005","90","","90","","90","","1902.7","0.7","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br N2 O -","- C20 H23 Br N2 O -","- C80 H92 Br4 N8 O4 -","4","1","","West, Thomas H.; Daniels, David S. B.; Slawin, Alexandra M. Z.; Smith, Andrew D.","An isothiourea-catalyzed asymmetric [2,3]-rearrangement of allylic ammonium ylides.","Journal of the American Chemical Society","2014","136","12","4476","4479","10.1021/ja500758n","","","0.71075","MoKα","","","0.0257","","","","0.0623","","","","","","0.867","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121528","14.4757","0.0004","16.3546","0.0005","16.9708","0.0004","90","","90","","90","","4017.74","0.19","130","2","130","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 F6 Ni2 P4 -","- C34 H64 F6 Ni2 P4 -","- C136 H256 F24 Ni8 P16 -","4","1","","Arévalo, Alma; Tlahuext-Aca, Adrian; Flores-Alamo, Marcos; García, Juventino J","On the catalytic hydrodefluorination of fluoroaromatics using nickel complexes: the true role of the phosphine.","Journal of the American Chemical Society","2014","136","12","4634","4639","10.1021/ja412268y","","x-ray","0.71073","MoKα","","0.0366","0.0306","","","0.0631","0.0666","","","","","","1.044","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121529","7.5958","0.0006","8.2688","0.0009","9.8593","0.0009","74.385","0.009","72.833","0.008","83.76","0.008","569.53","0.1","125","2","125","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C20 H33 F5 Ni P2 -","- C20 H33 F5 Ni P2 -","- C20 H33 F5 Ni P2 -","1","1","","Arévalo, Alma; Tlahuext-Aca, Adrian; Flores-Alamo, Marcos; García, Juventino J","On the catalytic hydrodefluorination of fluoroaromatics using nickel complexes: the true role of the phosphine.","Journal of the American Chemical Society","2014","136","12","4634","4639","10.1021/ja412268y","","x-ray","1.54184","CuKα","","0.068","0.0611","","","0.1555","0.1639","","","","","","1.055","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121530","6.6172","0.0003","15.1115","0.0007","37.1855","0.0018","90","","90","","90","","3718.4","0.3","83","2","83","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20.5 H19 B N O5.5 -","- C20.5 H19 B N O5.5 -","- C164 H152 B8 N8 O44 -","8","1","","Hirner, Joshua J.; Faizi, Darius J.; Blum, Suzanne A.","Alkoxyboration: Ring-Closing Addition of B-O σ Bonds across Alkynes.","Journal of the American Chemical Society","2014","136","12","4740","4745","10.1021/ja500463p","","","0.71073","MoKα","","0.0516","0.0407","","","0.0942","0.1002","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121531","14.7826","0.0019","18.527","0.002","23.715","0.003","71.071","0.001","77.528","0.002","68.304","0.002","5674.3","1.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C67.5 H109 N40.5 O54.25 Pd6 -","- C67.5 H84 N40.5 O54.25 Pd6 -","- C135 H168 N81 O108.5 Pd12 -","2","1","","Sawada, Tomohisa; Hisada, Hayato; Fujita, Makoto","Mutual induced fit in a synthetic host-guest system.","Journal of the American Chemical Society","2014","136","12","4449","4451","10.1021/ja500376x","","","0.71073","MoKα","","0.1162","0.0831","","","0.2044","0.2238","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121532","24.24","0.004","29.125","0.005","24.225","0.004","90","","91.047","0.002","90","","17100","5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H139.75 N45.5 O72 Pd6 -","- C112 H120 N45.5 O72 Pd6 -","- C448 H480 N182 O288 Pd24 -","4","1","","Sawada, Tomohisa; Hisada, Hayato; Fujita, Makoto","Mutual induced fit in a synthetic host-guest system.","Journal of the American Chemical Society","2014","136","12","4449","4451","10.1021/ja500376x","","","0.71073","MoKα","","0.203","0.1058","","","0.2857","0.3327","","","","","","1.274","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121533","20.2126","0.0014","20.2126","0.0014","45.41","0.007","90","","90","","120","","16067","3","90","2","90","2","","","","","","","","5","P 32","P 32","145","","","","- C148 H202.17 N51 O65.5 Pd8 -","- C148 H184 N51 O65.5 Pd8 -","- C444 H552 N153 O196.5 Pd24 -","3","1","","Sawada, Tomohisa; Hisada, Hayato; Fujita, Makoto","Mutual induced fit in a synthetic host-guest system.","Journal of the American Chemical Society","2014","136","12","4449","4451","10.1021/ja500376x","","","0.71073","MoKα","","0.2232","0.1362","","","0.3402","0.3944","","","","","","1.253","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121534","8.4589","0.001","10.5591","0.0012","14.9611","0.0018","93.445","0.001","90.969","0.001","101.984","0.001","1304.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H37 Cl P2 Pd -","- C23 H37 Cl P2 Pd -","- C46 H74 Cl2 P4 Pd2 -","2","1","","Xue, Ya-Xin; Zhu, Yuan-Yuan; Gao, Long-Mei; He, Xiao-Yue; Liu, Na; Zhang, Wu-Yi; Yin, Jun; Ding, Yunsheng; Zhou, Hongping; Wu, Zong-Quan","Air-Stable (Phenylbuta-1,3-diynyl)palladium(II) Complexes: Highly Active Initiators for Living Polymerization of Isocyanides.","Journal of the American Chemical Society","2014","136","12","4706","4713","10.1021/ja5004747","","","0.71073","MoKα","","0.0256","0.0229","","","0.0658","0.0698","","","","","","1.093","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121535","8.528","0.0013","10.6211","0.0016","14.706","0.002","96.188","0.002","92.12","0.002","99.815","0.002","1302.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","complex-1b","","","- C23 H37 Cl O P2 Pd -","- C23 H37 Cl O P2 Pd -","- C46 H74 Cl2 O2 P4 Pd2 -","2","1","","Xue, Ya-Xin; Zhu, Yuan-Yuan; Gao, Long-Mei; He, Xiao-Yue; Liu, Na; Zhang, Wu-Yi; Yin, Jun; Ding, Yunsheng; Zhou, Hongping; Wu, Zong-Quan","Air-Stable (Phenylbuta-1,3-diynyl)palladium(II) Complexes: Highly Active Initiators for Living Polymerization of Isocyanides.","Journal of the American Chemical Society","2014","136","12","4706","4713","10.1021/ja5004747","","","0.71073","MoKα","","0.0275","0.024","","","0.0681","0.0721","","","","","","1.067","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121536","8.583","0.007","14.626","0.011","20.535","0.017","90","","101.878","0.01","90","","2523","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","complex-1c","","","- C22 H35 Cl P2 Pd -","- C22 H35 Cl P2 Pd -","- C88 H140 Cl4 P8 Pd4 -","4","1","","Xue, Ya-Xin; Zhu, Yuan-Yuan; Gao, Long-Mei; He, Xiao-Yue; Liu, Na; Zhang, Wu-Yi; Yin, Jun; Ding, Yunsheng; Zhou, Hongping; Wu, Zong-Quan","Air-Stable (Phenylbuta-1,3-diynyl)palladium(II) Complexes: Highly Active Initiators for Living Polymerization of Isocyanides.","Journal of the American Chemical Society","2014","136","12","4706","4713","10.1021/ja5004747","","","0.71073","MoKα","","0.0708","0.0356","","","0.0823","0.0981","","","","","","0.955","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121537","9.7979","0.0006","9.4064","0.0006","16.2306","0.0009","90","","93.334","0.005","90","","1493.33","0.16","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","complex-1e","","","- C32 H40 P2 Pd -","- C32 H40 P2 Pd -","- C64 H80 P4 Pd2 -","2","0.5","","Xue, Ya-Xin; Zhu, Yuan-Yuan; Gao, Long-Mei; He, Xiao-Yue; Liu, Na; Zhang, Wu-Yi; Yin, Jun; Ding, Yunsheng; Zhou, Hongping; Wu, Zong-Quan","Air-Stable (Phenylbuta-1,3-diynyl)palladium(II) Complexes: Highly Active Initiators for Living Polymerization of Isocyanides.","Journal of the American Chemical Society","2014","136","12","4706","4713","10.1021/ja5004747","","","0.71073","MoKα","","0.048","0.0373","","","0.0861","0.093","","","","","","1.083","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121538","9.7952","0.0005","19.2316","0.0011","12.7047","0.0007","90","","111.795","0.001","90","","2222.2","0.2","186","2","186","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H70 Dy N3 O2 -","- C44 H63 Dy N3 O2 -","- C88 H126 Dy2 N6 O4 -","2","1","","Zhang, Peng; Zhang, Li; Wang, Chao; Xue, Shufang; Lin, Shuang-Yan; Tang, Jinkui","Equatorially coordinated lanthanide single ion magnets.","Journal of the American Chemical Society","2014","136","12","4484","4487","10.1021/ja500793x","","","0.71073","MoKα","","0.0464","0.0396","","","0.0853","0.0892","","","","","","1.027","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121539","9.7539","0.0006","19.1763","0.0012","12.7327","0.0008","90","","112.144","0.001","90","","2205.9","0.2","186","2","186","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H70 Er N3 O2 -","- C44 H63 Er N3 O2 -","- C88 H126 Er2 N6 O4 -","2","1","","Zhang, Peng; Zhang, Li; Wang, Chao; Xue, Shufang; Lin, Shuang-Yan; Tang, Jinkui","Equatorially coordinated lanthanide single ion magnets.","Journal of the American Chemical Society","2014","136","12","4484","4487","10.1021/ja500793x","","","0.71073","MoKα","","0.0376","0.0336","","","0.0829","0.0879","","","","","","1.048","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121540","9.6818","0.0008","12.2527","0.0011","23.0758","0.0019","90","","90","","90","","2737.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Br P -","- C34 H38 Br P -","- C136 H152 Br4 P4 -","4","1","","Zhu, Ye; Buchwald, Stephen L.","Ligand-Controlled Asymmetric Arylation of Aliphatic α-Amino Anion Equivalents.","Journal of the American Chemical Society","2014","136","12","4500","4503","10.1021/ja501560x","","","0.71073","MoKα","","0.0291","0.0264","","","0.0693","0.0702","","","","","","1.057","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121541","11.135","0.003","12.104","0.003","17.818","0.005","79.078","0.006","81.619","0.006","74.331","0.005","2259","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H47 P3 Ru -","- C48 H47 P3 Ru -","- C96 H94 P6 Ru2 -","2","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","0.71073","MoKα","","0.0429","0.0347","","","0.0846","0.0872","","","","","","1.047","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121542","14.5577","0.0004","22.5689","0.0007","27.0099","0.0008","90","","90","","90","","8874.1","0.5","147","2","147","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49 H51 Cl4 P3 Ru -","- C49 H51 Cl4 P3 Ru -","- C392 H408 Cl32 P24 Ru8 -","8","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","1.54178","CuKα","","0.0289","0.026","","","0.0625","0.0641","","","","","","1.051","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121543","11.4403","0.0003","12.2847","0.0003","17.925","0.0005","79.857","0.002","81.905","0.002","73.982","0.002","2372.19","0.11","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H59 P3 Ru -","- C57 H59 P3 Ru -","- C114 H118 P6 Ru2 -","2","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","1.54178","CuKα","","0.0522","0.0439","","","0.1064","0.1111","","","","","","1.061","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121544","12.8172","0.0005","20.1431","0.0008","14.8527","0.0006","90","","92.099","0.001","90","","3832.1","0.3","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H47 P3 Ru -","- C48 H47 P3 Ru -","- C192 H188 P12 Ru4 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","0.71073","MoKα","","0.048","0.0336","","","0.0741","0.08","","","","","","1.022","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121545","12.443","0.0009","14.9361","0.0011","22.3923","0.0015","90","","99.135","0.003","90","","4108.8","0.5","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H49 P3 Ru -","- C52 H49 P3 Ru -","- C208 H196 P12 Ru4 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","1.54178","CuKα","","0.0353","0.0295","","","0.0724","0.0754","","","","","","1.03","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121546","14.8761","0.0019","17.428","0.002","8.2778","0.001","90","","99.402","0.002","90","","2117.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N2 O2 P -","- C21 H33 N2 O2 P -","- C84 H132 N8 O8 P4 -","4","1","","McCarthy, Sean M.; Lin, Yi-Chun; Devarajan, Deepa; Chang, Ji Woong; Yennawar, Hemant P.; Rioux, Robert M.; Ess, Daniel H.; Radosevich, Alexander T.","Intermolecular N-H Oxidative Addition of Ammonia, Alkylamines, and Arylamines to a Planar σ(3)-Phosphorus Compound via an Entropy-Controlled Electrophilic Mechanism.","Journal of the American Chemical Society","2014","136","12","4640","4650","10.1021/ja412469e","","","0.71073","MoKα","","0.0521","0.0438","","","0.1216","0.1271","","","","","","1.07","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121547","11.183","0.005","16.059","0.008","17.358","0.008","70.642","0.008","88.41","0.009","86.803","0.009","2936","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H30 F6 Fe N6 O6 S2 -","- C23 H30 F6 Fe N6 O6 S2 -","- C92 H120 F24 Fe4 N24 O24 S8 -","4","2","","Company, Anna; Sabenya, Gerard; González-Béjar, María; Gómez, Laura; Clémancey, Martin; Blondin, Geneviève; Jasniewski, Andrew J.; Puri, Mayank; Browne, Wesley R.; Latour, Jean-Marc; Que, Jr, Lawrence; Costas, Miquel; Pérez-Prieto, Julia; Lloret-Fillol, Julio","Triggering the Generation of an Iron(IV)-Oxo Compound and Its Reactivity toward Sulfides by Ru(II) Photocatalysis.","Journal of the American Chemical Society","2014","136","12","4624","4633","10.1021/ja412059c","","","0.71073","MoKα","","0.077","0.0478","","","0.1227","0.1429","","","","","","0.951","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121548","9.5999","0.0008","13.3486","0.001","17.8637","0.0015","74.605","0.004","82.289","0.005","89.169","0.004","2186.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H46 B N8 O2 S Zn -","- C49 H46 B N8 O2 S Zn -","- C98 H92 B2 N16 O4 S2 Zn2 -","2","1","","Martin, David P.; Blachly, Patrick G.; Marts, Amy R.; Woodruff, Tessa M.; de Oliveira, César A F; McCammon, J. Andrew; Tierney, David L.; Cohen, Seth M.","'Unconventional' coordination chemistry by metal chelating fragments in a metalloprotein active site.","Journal of the American Chemical Society","2014","136","14","5400","5406","10.1021/ja500616m","","","0.71073","MoKα","","0.0554","0.0401","","","0.1069","0.1246","","","","","","1.121","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121549","13.5142","0.0007","15.1264","0.0007","19.1617","0.0011","79.351","0.004","79.778","0.004","81.15","0.004","3758.7","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H102 Mn2 N2 Si2 -","- C86 H102 Mn2 N2 Si2 -","- C172 H204 Mn4 N4 Si4 -","2","1","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.1079","0.0623","","","0.1261","0.1518","","","","","","1.057","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121550","12.3698","0.0004","13.9284","0.0005","21.8462","0.0008","75.459","0.002","83.817","0.002","70.909","0.002","3441.6","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H95 Cr Mn N2 Si2 -","- C83 H95 Cr Mn N2 Si2 -","- C166 H190 Cr2 Mn2 N4 Si4 -","2","1","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.1","0.0529","","","0.1017","0.1208","","","","","","1.015","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121551","14.0354","0.001","31.639","0.002","14.0529","0.001","90","","105.605","0.002","90","","6010.4","0.7","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H81 Mg Mn N3 Si -","- C67 H81 Mg Mn N3 Si -","- C268 H324 Mg4 Mn4 N12 Si4 -","4","1","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.1188","0.0616","","","0.1452","0.1727","","","","","","1.019","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121552","10.2192","0.0004","14.5682","0.0005","23.4367","0.0008","88.295","0.002","89.9","0.002","76.256","0.002","3387.7","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H101 Mg Mn N3 O2 Si -","- C76 H101 Mg Mn N3 O2 Si -","- C152 H202 Mg2 Mn2 N6 O4 Si2 -","2","1","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.0811","0.0485","","","0.1045","0.1187","","","","","","1.024","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121553","11.8629","0.0005","12.6271","0.0006","13.637","0.0007","88.34","0.003","87.055","0.003","67.856","0.003","1889.47","0.16","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H104 Mn2 N2 O Si2 -","- C88 H104 Mn2 N2 O Si2 -","- C88 H104 Mn2 N2 O Si2 -","1","0.5","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.0914","0.0499","","","0.0942","0.1096","","","","","","0.999","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121554","11.7629","0.0005","13.3147","0.0005","15.7449","0.0006","80.282","0.002","77.819","0.002","80.593","0.002","2354.85","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H132 Br2 Mn2 N2 O2 Si2 -","- C108 H132 Br2 Mn2 N2 O2 Si2 -","- C108 H132 Br2 Mn2 N2 O2 Si2 -","1","0.5","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.0596","0.0378","","","0.0758","0.0809","","","","","","0.914","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121555","14.7416","0.0011","16.0335","0.0011","16.1827","0.0014","89.828","0.006","116.83","0.008","94.088","0.006","3402.7","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H95 Mg Mn N5 Si -","- C74 H95 Mg Mn N5 Si -","- C148 H190 Mg2 Mn2 N10 Si2 -","2","1","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.0962","0.0622","","","0.1442","0.1695","","","","","","1.013","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121556","15.7018","0.0006","10.377","0.0003","26.7505","0.0009","90","","106.562","0.003","90","","4177.8","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H104 Mn2 N2 Si2 -","- C100 H104 Mn2 N2 Si2 -","- C200 H208 Mn4 N4 Si4 -","2","0.5","","Hicks, Jamie; Hoyer, Chad E.; Moubaraki, Boujemaa; Manni, Giovanni Li; Carter, Emma; Murphy, Damien M.; Murray, Keith S.; Gagliardi, Laura; Jones, Cameron","A two-coordinate manganese(0) complex with an unsupported mn-mg bond: allowing access to low coordinate homo- and heterobimetallic compounds.","Journal of the American Chemical Society","2014","136","14","5283","5286","10.1021/ja5021348","","","0.71073","MoKα","","0.0545","0.043","","","0.1101","0.1183","","","","","","1.021","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121557","35.8365","0.0017","35.8365","0.0017","35.8365","0.0017","90","","90","","90","","46023","4","296","2","296","2","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- Co16 H92 Na28 O204 P8 W36 -","- Co16 Na18 O204 P8 W36 -","- Co128 Na144 O1632 P64 W288 -","8","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.0951","0.0789","","","0.244","0.2541","","","","","","1.164","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121558","23.95","0.003","23.95","0.003","23.95","0.003","90","","90","","90","","13738","3","293","2","293","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- Co16 H116 Na32 O216 P4 Si4 W36 -","- Co16 Na18 O216 P4 Si4 W36 -","- Co32 Na36 O432 P8 Si8 W72 -","2","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.0679","0.0516","","","0.1183","0.1267","","","","","","0.904","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121559","35.6715","0.0017","35.6715","0.0017","35.6715","0.0017","90","","90","","90","","45390","4","296","2","296","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- Co16 H146 K2 Na30 O231 P4 Si4 W36 -","- Co16 Na18 O230.96 P4 Si4 W36 -","- Co128 Na144 O1847.68 P32 Si32 W288 -","8","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.0737","0.0419","","","0.1198","0.1471","","","","","","0.985","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121560","28.666","0.006","31.619","0.006","26.071","0.005","90","","90","","90","","23631","8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- Co16 H128 Na28 O222 P8 W36 -","- Co16 Na22 O222 P8 W36 -","- Co64 Na88 O888 P32 W144 -","4","0.5","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.135","0.0783","","","0.1568","0.1817","","","","","","1.025","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121561","23.924","0.003","23.924","0.003","23.924","0.003","90","","90","","90","","13693","3","293","2","293","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- Co16 Ge4 H240 Na32 O278 P4 W36 -","- Co16 Ge4 Na32.04 O278 P4 W36 -","- Co32 Ge8 Na64.08 O556 P8 W72 -","2","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.1558","0.1507","","","0.3676","0.3699","","","","","","1.111","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121562","35.6328","0.0015","35.6328","0.0015","35.6328","0.0015","90","","90","","90","","45243","3","296","2","296","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- Co16 Ge4 H114 K2 Na30 O215 P4 W36 -","- Co16 Ge4 Na18 O215 P4 W36 -","- Co128 Ge32 Na144 O1720 P32 W288 -","8","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.0884","0.0541","","","0.1706","0.2019","","","","","","1.097","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121563","35.514","0.004","35.514","0.004","35.514","0.004","90","","90","","90","","44792","9","296","2","296","2","","","","","","","","7","F d -3 :2","-F 2uv 2vw 3","203","","","","- As4 Co16 H120 Na28 O218 P4 W36 -","- As4 Co16 Na12 O217.96 P4 W36 -","- As32 Co128 Na96 O1743.68 P32 W288 -","8","0.0833333","","Han, Xin-Bao; Zhang, Zhi-Ming; Zhang, Teng; Li, Yang-Guang; Lin, Wenbin; You, Wansheng; Su, Zhong-Min; Wang, En-Bo","Polyoxometalate-based cobalt-phosphate molecular catalysts for visible light-driven water oxidation.","Journal of the American Chemical Society","2014","136","14","5359","5366","10.1021/ja412886e","","","0.71073","MoKα","","0.0768","0.0545","","","0.1731","0.1898","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121564","6.7606","0.0004","10.0156","0.0005","54.297","0.003","90","","90","","90","","3676.5","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","XH-194-2","maimone23","","- C20 H28 O5 -","- C20 H28 O5 -","- C160 H224 O40 -","8","2","","Hu, Xirui; Maimone, Thomas J.","Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.","Journal of the American Chemical Society","2014","136","14","5287","5290","10.1021/ja502208z","","","1.54178","CuKα","","0.0576","0.0571","","","0.1278","0.1281","","","","","","1.179","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121565","6.4231","0.0005","13.8311","0.0009","20.3077","0.0014","90","","90","","90","","1804.1","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","XH_54_SPS","maimone15","","- C20 H28 O6 -","- C20 H28 O6 -","- C80 H112 O24 -","4","1","","Hu, Xirui; Maimone, Thomas J.","Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.","Journal of the American Chemical Society","2014","136","14","5287","5290","10.1021/ja502208z","","","1.54178","CuKα","","0.0725","0.0714","","","0.1882","0.1901","","","","","","1.104","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4121566","6.4066","0.0003","12.6083","0.0006","22.0227","0.0011","90","","90","","90","","1778.91","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","XH_NP_1","maimone18","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Hu, Xirui; Maimone, Thomas J.","Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.","Journal of the American Chemical Society","2014","136","14","5287","5290","10.1021/ja502208z","","","1.54178","CuKα","","0.0392","0.0388","","","0.1028","0.1032","","","","","","1.045","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121567","6.81","0.0003","9.9666","0.0004","27.5837","0.0012","90","","90","","90","","1872.18","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","XH-211-3","maimone24","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Hu, Xirui; Maimone, Thomas J.","Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.","Journal of the American Chemical Society","2014","136","14","5287","5290","10.1021/ja502208z","","","1.54178","CuKα","","0.0377","0.0364","","","0.0951","0.0963","","","","","","1.037","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121568","7.177","0.003","14.812","0.005","16.726","0.006","90","","99.963","0.006","90","","1751.3","1.1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Cl Co N -","- C21 H23 Cl Co N -","- C84 H92 Cl4 Co4 N4 -","4","1","","Ikemoto, Hideya; Yoshino, Tatsuhiko; Sakata, Ken; Matsunaga, Shigeki; Kanai, Motomu","Pyrroloindolone Synthesis via a Cp*Co(III)-Catalyzed Redox-Neutral Directed C-H Alkenylation/Annulation Sequence.","Journal of the American Chemical Society","2014","136","14","5424","5431","10.1021/ja5008432","","","0.71075","MoKα","","0.0391","0.0365","","","0.0964","0.0989","","","","","","1.064","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121569","6.1659","0.0002","9.8138","0.0003","18.5821","0.0005","90","","90","","90","","1124.42","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","YXY3-45-1","toste92","","- C12 H12 F I O -","- C12 H12 F I O -","- C48 H48 F4 I4 O4 -","4","1","","Yang, Xiaoyu; Phipps, Robert J.; Toste, F. Dean","Asymmetric Fluorination of α-Branched Cyclohexanones Enabled by a Combination of Chiral Anion Phase-Transfer Catalysis and Enamine Catalysis using Protected Amino Acids.","Journal of the American Chemical Society","2014","136","14","5225","5228","10.1021/ja500882x","","","0.71073","MoKα","","0.0153","0.0145","","","0.0276","0.0278","","","","","","1.102","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121570","5.8949","0.0001","15.2807","0.0003","17.2167","0.0012","90","","90","","90","","1550.85","0.12","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 F O -","- C21 H17 F O -","- C84 H68 F4 O4 -","4","1","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","1.54187","CuKα","","0.0258","0.0252","","","0.0621","0.0626","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121571","16.777","0.006","15.082","0.005","15.6","0.006","90","","110.639","0.006","90","","3694","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H23 F O -","- C24 H23 F O -","- C192 H184 F8 O8 -","8","2","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","0.71073","MoKα","","0.112","0.0797","","","0.1624","0.1746","","","","","","1.057","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121572","23.9583","0.0004","5.7432","0.0001","11.8825","0.0008","90","","98.352","0.007","90","","1617.66","0.12","93","","93","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H17 F O2 -","- C21 H17 F O2 -","- C84 H68 F4 O8 -","4","1","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","1.54187","CuKα","","0.044","0.0427","","","0.1153","0.1173","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121573","11.4485","0.0006","5.9142","0.0003","17.0352","0.0008","90","","91.076","0.003","90","","1153.23","0.1","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27.58 H23.16 Cl2.16 F O -","- C27.581 H23.162 Cl2.162 F O -","- C55.162 H46.324 Cl4.324 F2 O2 -","2","1","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","0.71073","MoKα","","0.0773","0.0499","","","0.1202","0.129","","","","","","0.957","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121574","5.8612","0.0001","15.7648","0.0003","18.3237","0.0013","90","","90","","90","","1693.12","0.13","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","1.54187","CuKα","","0.0238","0.0237","","","0.0599","0.06","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121575","10.1024","0.0004","20.0404","0.001","13.0272","0.0005","90","","90","","90","","2637.4","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H6 Br N O2 S -","- C8 H6 Br N O2 S -","- C96 H72 Br12 N12 O24 S12 -","12","1.5","","Foo, Klement; Sella, Eran; Thomé, Isabelle; Eastgate, Martin D.; Baran, Phil S.","A mild, ferrocene-catalyzed C-h imidation of (hetero)arenes.","Journal of the American Chemical Society","2014","136","14","5279","5282","10.1021/ja501879c","","","0.71073","MoKα","","0.0889","0.074","","","0.2031","0.2136","","","","","","1.076","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121576","20.687","0.002","6.4683","0.0008","15.9083","0.0019","90","","116.05","0.003","90","","1912.4","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Foo, Klement; Sella, Eran; Thomé, Isabelle; Eastgate, Martin D.; Baran, Phil S.","A mild, ferrocene-catalyzed C-h imidation of (hetero)arenes.","Journal of the American Chemical Society","2014","136","14","5279","5282","10.1021/ja501879c","","x-ray","0.71073","MoKα","K-L~3~","0.0547","0.0372","","","0.0925","0.1026","","","","","","1.027","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121577","18.878","0.004","18.878","0.004","37.043","0.008","90","","90","","90","","13201","5","100","2","100","","","","","","","","","4","P 42 21 2","P 4n 2n","94","","","","- C115 H76 Al8 O41 -","- C115 H76 Al8 O41 -","- C230 H152 Al16 O82 -","2","0.25","","Gándara, Felipe; Furukawa, Hiroyasu; Lee, Seungkyu; Yaghi, Omar M.","High methane storage capacity in aluminum metal-organic frameworks.","Journal of the American Chemical Society","2014","136","14","5271","5274","10.1021/ja501606h","","x-ray","0.95403","","","0.1055","0.0887","","","0.2548","0.2736","","","","","","1.168","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121578","19.28","0.001","19.28","0.001","36.03","0.001","90","","90","","90","","13393","1.1","293","2","293","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","","","","- C216 H60 Al8 O56 -","- C216 H60 Al8 O56 -","- C432 H120 Al16 O112 -","2","0.25","","Gándara, Felipe; Furukawa, Hiroyasu; Lee, Seungkyu; Yaghi, Omar M.","High methane storage capacity in aluminum metal-organic frameworks.","Journal of the American Chemical Society","2014","136","14","5271","5274","10.1021/ja501606h","","","0.8903","synchrotron","","0.1222","0.1112","","","0.2792","0.2892","","","","","","1.057","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121579","11.6964","0.0003","15.8328","0.0004","11.522","0.0003","90","","90","","90","","2133.72","0.09","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H20 Cl2 N4 Zn -","- C23 H20 Cl2 N4 Zn -","- C92 H80 Cl8 N16 Zn4 -","4","0.5","","Bhowmik, Sandip; Ghosh, Biswa Nath; Marjomäki, Varpu; Rissanen, Kari","Nanomolar Pyrophosphate Detection in Water and in a Self-Assembled Hydrogel of a Simple Terpyridine-Zn(2+) Complex.","Journal of the American Chemical Society","2014","136","15","5543","","10.1021/ja4128949","","","0.71073","MoKα","","0.0355","0.0281","","","0.069","0.0727","","","","","","1.062","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121580","35.078","0.005","8.2392","0.0011","22.64","0.003","90","","115.873","0.009","90","","5887.4","1.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H32 Br Mn N2 O3.5 -","- C31 H28 Br Mn N2 O3 -","- C248 H224 Br8 Mn8 N16 O24 -","8","1","","Sampson, Matthew D.; Nguyen, An D.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Manganese catalysts with bulky bipyridine ligands for the electrocatalytic reduction of carbon dioxide: eliminating dimerization and altering catalysis.","Journal of the American Chemical Society","2014","136","14","5460","5471","10.1021/ja501252f","","x-ray","0.71073","MoKα","","0.0591","0.0363","","","0.0855","0.0945","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121581","46.116","0.002","46.116","0.002","46.116","0.002","90","","90","","90","","98074","7","298","2","298","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C372 H244 O32 P12 Zr6 -","- C372 O32 P12 Zr6 -","- C1488 O128 P48 Zr24 -","4","0.0833333","","Falkowski, Joseph M.; Sawano, Takahiro; Zhang, Teng; Tsun, Galen; Chen, Yuan; Lockard, Jenny V.; Lin, Wenbin","Privileged phosphine-based metal-organic frameworks for broad-scope asymmetric catalysis.","Journal of the American Chemical Society","2014","136","14","5213","5216","10.1021/ja500090y","","","1.54178","CuKα","","0.1383","0.1026","","","0.2456","0.2594","","","","","","1.375","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121582","16.473","0.005","6.98","0.005","18.804","0.005","90","","105.675","0.005","90","","2081.7","1.7","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C21 H16 Au F6 N6 P -","- C21 H16 Au F6 N6 P -","- C84 H64 Au4 F24 N24 P4 -","4","1","","Akerman, Kate J.; Fagenson, Alexander M.; Cyril, Vidusha; Taylor, Michael; Muller, Mark T.; Akerman, Matthew P.; Munro, Orde Q.","Gold(III) Macrocycles: Nucleotide-Specific Unconventional Catalytic Inhibitors of Human Topoisomerase I.","Journal of the American Chemical Society","2014","136","15","5670","","10.1021/ja412350f","","","0.71073","MoKα","","0.0452","0.032","","","0.0703","0.0733","","","","","","0.94","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121583","17.092","0.005","25.52","0.005","13.625","0.005","90","","119.057","0.005","90","","5195","3","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H20 Au F3 N6 O3 S -","- C24 H20 Au F3 N6 O3 S -","- C192 H160 Au8 F24 N48 O24 S8 -","8","2","","Akerman, Kate J.; Fagenson, Alexander M.; Cyril, Vidusha; Taylor, Michael; Muller, Mark T.; Akerman, Matthew P.; Munro, Orde Q.","Gold(III) Macrocycles: Nucleotide-Specific Unconventional Catalytic Inhibitors of Human Topoisomerase I.","Journal of the American Chemical Society","2014","136","15","5670","","10.1021/ja412350f","","","0.71073","MoKα","","0.0788","0.0544","","","0.1176","0.1246","","","","","","0.98","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121584","43.9022","0.0011","6.7597","0.0002","48.8964","0.0012","90","","90","","90","","14510.8","0.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(12,13,14,15-tetrahydro-6,9:18,21-diepimino[1,6]diazacycloctadecino[12,13-b]- quinoxalinato]gold(III) hexafluorophosphate(V) mono(acetonitrile) solvate","","- C24 H21 Au F6 N7 P -","- C24 H21 Au F6 N7 P -","- C576 H504 Au24 F144 N168 P24 -","24","6","","Akerman, Kate J.; Fagenson, Alexander M.; Cyril, Vidusha; Taylor, Michael; Muller, Mark T.; Akerman, Matthew P.; Munro, Orde Q.","Gold(III) Macrocycles: Nucleotide-Specific Unconventional Catalytic Inhibitors of Human Topoisomerase I.","Journal of the American Chemical Society","2014","136","15","5670","","10.1021/ja412350f","","","1.54178","CuKα","","0.068","0.052","","","0.1067","0.1131","","","","","","1.055","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121585","7.2176","0.0002","12.8503","0.0004","22.0858","0.0007","90","","90","","90","","2048.42","0.11","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O8 S -","- C21 H23 N O8 S -","- C84 H92 N4 O32 S4 -","4","1","","Howell, Jennifer M.; Liu, Wei; Young, Andrew J.; White, M. Christina","General Allylic C-H Alkylation with Tertiary Nucleophiles.","Journal of the American Chemical Society","2014","136","15","5750","","10.1021/ja500726e","","","1.54178","CuKα","","0.0302","0.0287","","","0.0727","0.0735","","","","","","1.084","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121586","10.8507","0.0003","16.7356","0.0005","12.566","0.0004","90","","111.077","0.001","90","","2129.23","0.11","183","2","183","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O8 S -","- C21 H23 N O8 S -","- C84 H92 N4 O32 S4 -","4","2","","Howell, Jennifer M.; Liu, Wei; Young, Andrew J.; White, M. Christina","General Allylic C-H Alkylation with Tertiary Nucleophiles.","Journal of the American Chemical Society","2014","136","15","5750","","10.1021/ja500726e","","","1.54178","CuKα","","0.0296","0.0291","","","0.0751","0.0756","","","","","","1.065","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121587","23.112","0.004","6.9534","0.0013","22.638","0.004","90","","90","","90","","3638.1","1.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H31 Ca2 O28 P3 -","- C24 H31 Ca2 O28 P3 -","- C96 H124 Ca8 O112 P12 -","4","1","","Bazaga-García, Montse; Colodrero, Rosario M. P.; Papadaki, Maria; Garczarek, Piotr; Zoń, Jerzy; Olivera-Pastor, Pascual; Losilla, Enrique R.; León-Reina, Laura; Aranda, Miguel A. G.; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.; Cabeza, Aurelio","Guest Molecule-Responsive Functional Calcium Phosphonate Frameworks for Tuned Proton Conductivity.","Journal of the American Chemical Society","2014","136","15","5731","","10.1021/ja500356z","","","0.71073","MoKα","","0.1152","0.0721","","","0.1505","0.173","","","","","","1.032","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121588","23.0652","0.0007","6.97311","0.0001","22.4165","0.0007","90","","91.54","0.004","90","","3604.08","0.17","25","","25","","","","","","","","","4","P 1 a 1","P -2ya","7","","","","- C24 Ca2 O23 P3 -","- C24 Ca2 O23 P3 -","- C96 Ca8 O92 P12 -","4","2","","Bazaga-García, Montse; Colodrero, Rosario M. P.; Papadaki, Maria; Garczarek, Piotr; Zoń, Jerzy; Olivera-Pastor, Pascual; Losilla, Enrique R.; León-Reina, Laura; Aranda, Miguel A. G.; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.; Cabeza, Aurelio","Guest Molecule-Responsive Functional Calcium Phosphonate Frameworks for Tuned Proton Conductivity.","Journal of the American Chemical Society","2014","136","15","5731","","10.1021/ja500356z","powder diffraction","x-ray","0.6202","synchrotron","","","","","","","","0.1347","","7.07","","","","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121589","11.3259","0.001","8.9928","0.0007","22.3705","0.0017","90","","103.775","0.003","90","","2212.9","0.3","228","2","228","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 N O2 -","- C25 H35 N O2 -","- C100 H140 N4 O8 -","4","1","","Martin, David; Canac, Yves; Lavallo, Vincent; Bertrand, Guy","Comparative reactivity of different types of stable cyclic and acyclic mono- and diamino carbenes with simple organic substrates.","Journal of the American Chemical Society","2014","136","13","5023","5030","10.1021/ja412981x","","","0.71073","MoKα","","0.0535","0.0477","","","0.1273","0.135","","","","","","1.024","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121590","4.6255","0.0002","9.9456","0.0002","24.8078","0.0007","98.3891","0.0009","93.4893","0.0012","98.754","0.003","1111.85","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N3 O4 S2 -","- C24 H25 N3 O4 S2 -","- C48 H50 N6 O8 S4 -","2","1","","Poverenov, Elena; Zamoshchik, Natalia; Patra, Asit; Ridelman, Yonatan; Bendikov, Michael","Unusual doping of donor-acceptor-type conjugated polymers using lewis acids.","Journal of the American Chemical Society","2014","136","13","5138","5149","10.1021/ja501024n","","","0.71073","MoKα","","0.0553","0.0422","","","0.1035","0.1103","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121591","21.191","0.004","15.335","0.003","5.0155","0.001","90","","90","","90","","1629.9","0.5","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H12 N2 O5 S2 -","- C18 H12 N2 O5 S2 -","- C72 H48 N8 O20 S8 -","4","1","","Poverenov, Elena; Zamoshchik, Natalia; Patra, Asit; Ridelman, Yonatan; Bendikov, Michael","Unusual doping of donor-acceptor-type conjugated polymers using lewis acids.","Journal of the American Chemical Society","2014","136","13","5138","5149","10.1021/ja501024n","","","0.71073","MoKα","","0.0339","0.0287","","","0.0703","0.0729","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121592","4.4551","0.0009","15.982","0.003","23.91","0.005","90","","90","","90","","1702.4","0.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H12 N2 O4 S Se2 -","- C18 H12 N2 O4 S Se2 -","- C72 H48 N8 O16 S4 Se8 -","4","0.5","","Poverenov, Elena; Zamoshchik, Natalia; Patra, Asit; Ridelman, Yonatan; Bendikov, Michael","Unusual doping of donor-acceptor-type conjugated polymers using lewis acids.","Journal of the American Chemical Society","2014","136","13","5138","5149","10.1021/ja501024n","","","0.71073","MoKα","","0.0659","0.0319","","","0.0684","0.0839","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121593","16.2238","0.0009","14.7598","0.0007","13.5765","0.0007","90","","104.881","0.004","90","","3142","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N5 O10 U2 -","- C29 H31 N5 O10 U2 -","- C116 H124 N20 O40 U8 -","4","1","","McGrail, Brendan T.; Pianowski, Laura S.; Burns, Peter C.","Photochemical water oxidation and origin of nonaqueous uranyl peroxide complexes.","Journal of the American Chemical Society","2014","136","13","4797","4800","10.1021/ja502425t","","","0.71073","MoKα","","0.0781","0.0471","","","0.1018","0.1161","","","","","","1.017","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121594","16.2231","0.0013","15.0073","0.0013","13.9043","0.0012","90","","104.265","0.002","90","","3280.8","0.5","265","2","265","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N7 O12 U2 -","- C25 H25 N7 O12 U2 -","- C100 H100 N28 O48 U8 -","4","1","","McGrail, Brendan T.; Pianowski, Laura S.; Burns, Peter C.","Photochemical water oxidation and origin of nonaqueous uranyl peroxide complexes.","Journal of the American Chemical Society","2014","136","13","4797","4800","10.1021/ja502425t","","","0.71073","MoKα","","0.115","0.0589","","","0.1399","0.18","","","","","","0.913","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121595","10.7899","0.0002","13.6545","0.0003","13.9861","0.0002","80.6099","0.0011","89.009","0.0011","78.5251","0.0012","1992.09","0.06","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H33 F12 N7 P2 Ru -","- C40 H30 F12 N7 P2 Ru -","- C80 H60 F24 N14 P4 Ru2 -","2","1","","Tong, Lianpeng; Zong, Ruifa; Thummel, Randolph P.","Visible light-driven hydrogen evolution from water catalyzed by a molecular cobalt complex.","Journal of the American Chemical Society","2014","136","13","4881","4884","10.1021/ja501257d","","","1.54178","CuKα","","0.0467","0.0416","","","0.1024","0.1058","","","","","","1.052","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121596","13.3374","0.001","24.979","0.002","8.5046","0.0007","90","","99.119","0.004","90","","2797.5","0.4","228","2","228","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 Co N3 O5 -","- C31 H27 Co N3 O5 -","- C124 H108 Co4 N12 O20 -","4","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0947","0.0647","","","0.146","0.1659","","","","","","0.944","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121597","12.4892","0.0015","13.6324","0.0015","12.1687","0.0015","90","","90","","90","","2071.8","0.4","228","2","228","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H12 Co N2 O4 -","- C16 H12 Co N2 O4 -","- C64 H48 Co4 N8 O16 -","4","0.5","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0882","0.0794","","","0.1946","0.1986","","","","","","1.195","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121598","17.4848","0.0008","17.4848","0.0008","20.2126","0.0009","90","","90","","90","","6179.4","0.5","100","2","100","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C48 H36 Co3 N6 O12 -","- C48 H36 Co3 N6 O12 -","- C192 H144 Co12 N24 O48 -","4","0.5","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.1696","0.1231","","","0.302","0.3268","","","","","","1.074","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121599","12.802","0.0003","34.9232","0.0008","43.7551","0.0009","90","","90","","90","","19562.3","0.8","100","2","100","2","","","","","","","","5","F 2 2 2","F 2 2","22","","","","- C28 H20 Co N2 O4 -","- C28 H20 Co N2 O4 -","- C448 H320 Co16 N32 O64 -","16","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0781","0.0706","","","0.2028","0.2108","","","","","","1.103","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121600","11.691","0.0004","21.0101","0.0006","8.5286","0.0002","90","","130.693","0.002","90","","1588.36","0.09","228","2","228","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H12 Co N2 O4 -","- C16 H12 Co N2 O4 -","- C64 H48 Co4 N8 O16 -","4","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0364","0.0332","","","0.0787","0.08","","","","","","1.012","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121601","22.625","0.0007","22.625","0.0007","12.7634","0.0005","90","","90","","90","","6533.5","0.4","228","2","228","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C192 H128 Co8 N16 O32 -","8","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.102","0.064","","","0.1224","0.1301","","","","","","0.992","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121602","13.4836","0.0011","24.964","0.002","8.3985","0.0007","90","","98.878","0.003","90","","2793.1","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 N3 O5 Zn -","- C31 H27 N3 O5 Zn -","- C124 H108 N12 O20 Zn4 -","4","1","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","0.71073","MoKα","","0.0905","0.0673","","","0.1409","0.1552","","","","","","1.02","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121603","13.1543","0.0008","21.7445","0.0011","8.6774","0.0006","90","","90","","90","","2482","0.3","228","2","228","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H20 Co N2 O4 -","- C28 H20 Co N2 O4 -","- C112 H80 Co4 N8 O16 -","4","","","Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J.","Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets.","Journal of the American Chemical Society","2014","136","13","5072","5077","10.1021/ja500005k","","","1.54178","CuKα","","0.0503","0.042","","","0.1079","0.1123","","","","","","1.051","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121604","22.675","0.003","6.1256","0.0009","16.5599","0.0018","90","","113.194","0.003","90","","2114.2","0.5","173.1","","173.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H21 N2 O0.5 -","- C10 H21 N2 O0.5 -","- C80 H168 N16 O4 -","8","1","","Fujita, Ken-Ichi; Tanaka, Yui; Kobayashi, Masato; Yamaguchi, Ryohei","Homogeneous perdehydrogenation and perhydrogenation of fused bicyclic N-heterocycles catalyzed by iridium complexes bearing a functional bipyridonate ligand.","Journal of the American Chemical Society","2014","136","13","4829","4832","10.1021/ja5001888","","","0.71075","MoKα","","","0.0563","","","","0.066","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121605","15.671","0.003","5.0499","0.0007","13.9788","0.0019","90","","90.849","0.004","90","","1106.1","0.3","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 N2 O -","- C10 H22 N2 O -","- C40 H88 N8 O4 -","4","0.5","","Fujita, Ken-Ichi; Tanaka, Yui; Kobayashi, Masato; Yamaguchi, Ryohei","Homogeneous perdehydrogenation and perhydrogenation of fused bicyclic N-heterocycles catalyzed by iridium complexes bearing a functional bipyridonate ligand.","Journal of the American Chemical Society","2014","136","13","4829","4832","10.1021/ja5001888","","","0.71075","MoKα","","","0.0709","","","","0.118","","","","","","1.027","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121606","9.0891","0.0006","9.5888","0.0004","15.541","0.0007","89.728","0.0013","77.932","0.002","66.2153","0.0018","1207.22","0.11","173.1","","173.1","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Ir N3 O4 -","- C26 H32 Ir N3 O4 -","- C52 H64 Ir2 N6 O8 -","2","1","","Fujita, Ken-Ichi; Tanaka, Yui; Kobayashi, Masato; Yamaguchi, Ryohei","Homogeneous perdehydrogenation and perhydrogenation of fused bicyclic N-heterocycles catalyzed by iridium complexes bearing a functional bipyridonate ligand.","Journal of the American Chemical Society","2014","136","13","4829","4832","10.1021/ja5001888","","","0.71075","MoKα","","","0.0253","","","","0.0324","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121607","14.982","0.005","19.899","0.007","28.215","0.01","81.352","0.007","78.546","0.006","69.93","0.007","7713","5","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H162 Au30 S19 -","- C72 H162 Au30 S19 -","- C144 H324 Au60 S38 -","2","1","","Crasto, David; Malola, Sami; Brosofsky, Grace; Dass, Amala; Häkkinen, Hannu","Single Crystal XRD Structure and Theoretical Analysis of the Chiral Au30S(S-t-Bu)18 Cluster.","Journal of the American Chemical Society","2014","136","13","5000","5005","10.1021/ja412141j","","x-ray","0.71073","MoKα","K-L~3~","0.1258","0.059","","","0.1564","0.197","","","","","","1.039","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121608","8.532","0.0009","15.9667","0.0016","17.1115","0.0017","66.743","0.0016","86.597","0.0018","82.032","0.0017","2120.9","0.4","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C62 H133 Cl6 Mg4 O12 P2 Pt2 Si2 -","- C62 H133.162 Cl6 Mg4 O12 P2 Pt2 Si2 -","- C62 H133.162 Cl6 Mg4 O12 P2 Pt2 Si2 -","1","0.5","","Parker, Sarah E.; Börgel, Jonas; Ritter, Tobias","1,2-selective hydrosilylation of conjugated dienes.","Journal of the American Chemical Society","2014","136","13","4857","4860","10.1021/ja5008596","","","0.71073","MoKα","","0.0379","0.0291","","","0.0625","0.0657","","","","","","1.033","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121609","31.918","0.004","31.918","0.004","12.5758","0.0018","90","","90","","90","","12812","3","100","1","100","1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C21 H47 Mg0.5 N O3 P Pt Si -","- C21 H47 Mg0.5 N O3 P Pt Si -","- C336 H752 Mg8 N16 O48 P16 Pt16 Si16 -","16","1","","Parker, Sarah E.; Börgel, Jonas; Ritter, Tobias","1,2-selective hydrosilylation of conjugated dienes.","Journal of the American Chemical Society","2014","136","13","4857","4860","10.1021/ja5008596","","","0.71073","MoKα","","0.1165","0.1103","","","0.236","0.2381","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121610","14.3699","0.0002","18.8611","0.0004","20.751","0.0004","91.3836","0.0017","93.8054","0.0015","100.752","0.0016","5509.44","0.18","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C134 H146 Cl6 O6 -","- C134 H146 Cl6 O6 -","- C268 H292 Cl12 O12 -","2","1","","Zhang, Qiang; Peng, Hanqing; Zhang, Guishan; Lu, Qiongqiong; Chang, Jian; Dong, Yeye; Shi, Xianying; Wei, Junfa","Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics.","Journal of the American Chemical Society","2014","136","13","5057","5064","10.1021/ja413018f","","","1.5418","CuKα","","0.1115","0.0964","","","0.2761","0.2967","","","","","","1.169","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121611","12.1545","0.0019","13.507","0.002","19.3873","0.0017","98.703","0.011","95.789","0.01","108.038","0.015","2954.4","0.8","105","7","105","7","","","","","","","","4","P -1","-P 1","2","","","","- C66 H66 O6 S3 -","- C66 H66 O6 S3 -","- C132 H132 O12 S6 -","2","1","","Zhang, Qiang; Peng, Hanqing; Zhang, Guishan; Lu, Qiongqiong; Chang, Jian; Dong, Yeye; Shi, Xianying; Wei, Junfa","Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics.","Journal of the American Chemical Society","2014","136","13","5057","5064","10.1021/ja413018f","","","0.7107","MoKα","","0.1","0.0734","","","0.1964","0.2162","","","","","","0.946","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121612","10.606","0.0003","17.7693","0.0004","18.5377","0.0005","90","","91.524","0.002","90","","3492.4","0.16","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H28.5 Cl4.5 O6 -","- C39 H28.5 Cl4.5 O6 -","- C156 H114 Cl18 O24 -","4","1","","Zhang, Qiang; Peng, Hanqing; Zhang, Guishan; Lu, Qiongqiong; Chang, Jian; Dong, Yeye; Shi, Xianying; Wei, Junfa","Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics.","Journal of the American Chemical Society","2014","136","13","5057","5064","10.1021/ja413018f","","","1.54178","","","0.1022","0.0859","","","","0.2642","","","","","","1.052","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121613","12.5229","0.0007","14.2127","0.0008","17.6666","0.0012","88.113","0.005","73.225","0.006","66.912","0.005","2757.9","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C120 H167.69 O12 -","- C120 H167.69 O12 -","- C120 H167.69 O12 -","1","0.5","","Zhang, Qiang; Peng, Hanqing; Zhang, Guishan; Lu, Qiongqiong; Chang, Jian; Dong, Yeye; Shi, Xianying; Wei, Junfa","Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics.","Journal of the American Chemical Society","2014","136","13","5057","5064","10.1021/ja413018f","","","1.54178","","","0.0963","0.0755","","","","0.2686","","","","","","1.0385","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121614","9.096","0.003","9.365","0.003","12.93","0.003","91.548","0.008","94.438","0.005","113.836","0.013","1002.4","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","6","","","- C48 H46 Cl2 N2 Ti2 -","- C48 H46 Cl2 N2 Ti2 -","- C48 H46 Cl2 N2 Ti2 -","1","0.5","","Saito, Teruhiko; Nishiyama, Haruka; Tanahashi, Hiromasa; Kawakita, Kento; Tsurugi, Hayato; Mashima, Kazushi","1,4-Bis(trimethylsilyl)-1,4-diaza-2,5-cyclohexadienes as Strong Salt-Free Reductants for Generating Low-Valent Early Transition Metals with Electron-Donating Ligands.","Journal of the American Chemical Society","2014","136","13","5161","5170","10.1021/ja501313s","","","0.71075","MoKα","","0.0995","0.0686","","","0.165","0.1969","","","","","","1.104","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121615","8.7094","0.0007","17.3646","0.0013","14.8216","0.0011","90","","91.893","0.003","90","","2240.3","0.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","21","","","- C50 H68 Cl2 N2 Ti2 -","- C50 H68 Cl2 N2 Ti2 -","- C100 H136 Cl4 N4 Ti4 -","2","0.5","","Saito, Teruhiko; Nishiyama, Haruka; Tanahashi, Hiromasa; Kawakita, Kento; Tsurugi, Hayato; Mashima, Kazushi","1,4-Bis(trimethylsilyl)-1,4-diaza-2,5-cyclohexadienes as Strong Salt-Free Reductants for Generating Low-Valent Early Transition Metals with Electron-Donating Ligands.","Journal of the American Chemical Society","2014","136","13","5161","5170","10.1021/ja501313s","","","0.71075","MoKα","","0.0918","0.0808","","","0.1748","0.1836","","","","","","1.249","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121616","8.105","0.003","8.507","0.003","14.481","0.006","92.565","0.011","95.849","0.01","95.536","0.01","987.1","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","11","","","- C17 H28 Cl2 N2 Si Ti -","- C17 H28 Cl2 N2 Si Ti -","- C34 H56 Cl4 N4 Si2 Ti2 -","2","1","","Saito, Teruhiko; Nishiyama, Haruka; Tanahashi, Hiromasa; Kawakita, Kento; Tsurugi, Hayato; Mashima, Kazushi","1,4-Bis(trimethylsilyl)-1,4-diaza-2,5-cyclohexadienes as Strong Salt-Free Reductants for Generating Low-Valent Early Transition Metals with Electron-Donating Ligands.","Journal of the American Chemical Society","2014","136","13","5161","5170","10.1021/ja501313s","","","0.71075","MoKα","","0.1951","0.0548","","","0.1125","0.1863","","","","","","0.873","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121617","14.731","0.002","8.3117","0.0009","21.044","0.003","90","","99.65","0.006","90","","2540.2","0.6","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","16","","","- C20 H30 Cl6 Ta2 -","- C20 H30 Cl6 Ta2 -","- C80 H120 Cl24 Ta8 -","4","0.5","","Saito, Teruhiko; Nishiyama, Haruka; Tanahashi, Hiromasa; Kawakita, Kento; Tsurugi, Hayato; Mashima, Kazushi","1,4-Bis(trimethylsilyl)-1,4-diaza-2,5-cyclohexadienes as Strong Salt-Free Reductants for Generating Low-Valent Early Transition Metals with Electron-Donating Ligands.","Journal of the American Chemical Society","2014","136","13","5161","5170","10.1021/ja501313s","","","0.71075","MoKα","","0.0845","0.0791","","","0.1756","0.1786","","","","","","1.205","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121618","10.144","0.0007","11.1058","0.0009","34.272","0.003","90","","90","","90","","3861","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Fe O -","- C17 H12 Fe O -","- C204 H144 Fe12 O12 -","12","3","","Gao, De-Wei; Yin, Qin; Gu, Qing; You, Shu-Li","Enantioselective Synthesis of Planar Chiral Ferrocenes via Pd(0)-Catalyzed Intramolecular Direct C-H Bond Arylation.","Journal of the American Chemical Society","2014","136","13","4841","4844","10.1021/ja500444v","","","0.71073","MoKα","","0.038","0.032","","","0.0725","0.075","","","","","","0.992","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121619","7.5652","0.0013","14.8496","0.0019","8.9503","0.0015","90","","100.665","0.006","90","","988.1","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","","Wilde, Nathan C.; Isomura, Minetaka; Mendoza, Abraham; Baran, Phil S.","Two-phase synthesis of (-)-taxuyunnanine d.","Journal of the American Chemical Society","2014","136","13","4909","4912","10.1021/ja501782r","","","0.71073","MoKα","","0.0583","0.0467","","","0.0904","0.0966","","","","","","1.024","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121620","10.4088","0.0007","16.205","0.0011","33.6784","0.0019","90","","90","","90","","5680.7","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H77 N5 O9 -","- C62 H77 N5 O9 -","- C248 H308 N20 O36 -","4","1","","Bordoli, Robert J.; Goldup, Stephen M.","An efficient approach to mechanically planar chiral rotaxanes.","Journal of the American Chemical Society","2014","136","13","4817","4820","10.1021/ja412715m","","","1.54178","CuKα","","0.0737","0.0555","","","0.1294","0.1407","","","","","","0.977","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121621","13.6896","0.0003","18.8091","0.0004","21.8375","0.0004","90","","90","","90","","5622.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H78 N5 O9.5 -","- C62 H77 N5 O9.5 -","- C248 H308 N20 O38 -","4","1","","Bordoli, Robert J.; Goldup, Stephen M.","An efficient approach to mechanically planar chiral rotaxanes.","Journal of the American Chemical Society","2014","136","13","4817","4820","10.1021/ja412715m","","","1.54178","CuKα","","0.0493","0.0485","","","0.1315","0.1326","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121622","17.985","0.003","17.985","0.003","14.597","0.003","90","","90","","90","","4721.5","1.5","293","2","293","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C12 H74 Cd4 Ge12 N8 O71 V14 -","- C12 Cd4 Ge12 N8 O71 V14 -","- C24 Cd8 Ge24 N16 O142 V28 -","2","0.125","","Zhou, Jian; Zhao, Jun-Wei; Wei, Qi; Zhang, Jie; Yang, Guo-Yu","Two Tetra-Cd(II)-Substituted Vanadogermanate Frameworks.","Journal of the American Chemical Society","2014","136","13","5065","5071","10.1021/ja413218w","","","0.71073","MoKα","","0.0499","0.0487","","","0.1415","0.1426","","","","","","1.102","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121623","17.682","0.004","17.682","0.004","14.556","0.003","90","","90","","90","","4551","1.7","293","2","293","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C8 H66 Cd4 Ge12 N8 O71 V14 -","- C8 H32 Cd4 Ge12 N8 O71 V14 -","- C16 H64 Cd8 Ge24 N16 O142 V28 -","2","0.125","","Zhou, Jian; Zhao, Jun-Wei; Wei, Qi; Zhang, Jie; Yang, Guo-Yu","Two Tetra-Cd(II)-Substituted Vanadogermanate Frameworks.","Journal of the American Chemical Society","2014","136","13","5065","5071","10.1021/ja413218w","","","0.71073","MoKα","","0.0529","0.0523","","","0.1342","0.1347","","","","","","1.092","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121624","33.464","0.004","5.2123","0.0006","16.8968","0.0017","90","","101.711","0.004","90","","2885.9","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H15 Cl N3 O3 S -","- C12 H15 Cl N3 O3 S -","- C96 H120 Cl8 N24 O24 S8 -","8","1","","Gui, Jinghan; Zhou, Qianghui; Pan, Chung-Mao; Yabe, Yuki; Burns, Aaron C.; Collins, Michael R.; Ornelas, Martha A.; Ishihara, Yoshihiro; Baran, Phil S.","C-H Methylation of Heteroarenes Inspired by Radical SAM Methyl Transferase.","Journal of the American Chemical Society","2014","136","13","4853","4856","10.1021/ja5007838","","x-ray","0.71073","MoKα","","0.0801","0.0518","","","0.1127","0.1285","","","","","","1.072","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121625","8.2053","0.0005","32.8177","0.0019","8.8796","0.0005","90","","92.858","0.003","90","","2388.1","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 O14 S4 Zn -","- C14 H26 O14 S4 Zn -","- C56 H104 O56 S16 Zn4 -","4","2","","Gui, Jinghan; Zhou, Qianghui; Pan, Chung-Mao; Yabe, Yuki; Burns, Aaron C.; Collins, Michael R.; Ornelas, Martha A.; Ishihara, Yoshihiro; Baran, Phil S.","C-H Methylation of Heteroarenes Inspired by Radical SAM Methyl Transferase.","Journal of the American Chemical Society","2014","136","13","4853","4856","10.1021/ja5007838","","","0.71073","MoKα","","0.083","0.0598","","","0.1419","0.1536","","","","","","1.025","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121626","8.6479","0.0002","9.9545","0.0004","16.8563","0.0007","90","","90","","90","","1451.08","0.09","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 P S -","- C16 H19 P S -","- C64 H76 P4 S4 -","4","1","","Huang, Yinhua; Li, Yongxin; Leung, Pak-Hing; Hayashi, Tamio","Asymmetric synthesis of p-stereogenic diarylphosphinites by palladium-catalyzed enantioselective addition of diarylphosphines to benzoquinones.","Journal of the American Chemical Society","2014","136","13","4865","4868","10.1021/ja501007t","","","0.71073","MoKα","","0.0497","0.04","","","0.0874","0.0924","","","","","","1.029","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121627","9.5656","0.0005","15.6505","0.0009","14.0777","0.0008","90","","96.8115","0.0015","90","","2092.6","0.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 P2 S2 -","- C24 H20 P2 S2 -","- C96 H80 P8 S8 -","4","1","","Huang, Yinhua; Li, Yongxin; Leung, Pak-Hing; Hayashi, Tamio","Asymmetric synthesis of p-stereogenic diarylphosphinites by palladium-catalyzed enantioselective addition of diarylphosphines to benzoquinones.","Journal of the American Chemical Society","2014","136","13","4865","4868","10.1021/ja501007t","","","0.71073","MoKα","","0.0784","0.0487","","","0.1078","0.1237","","","","","","1.123","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121628","12.3208","0.001","35","0.003","10.4586","0.0008","90","","90","","90","","4510","0.6","103","2","103","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C48.5 H48 Cl4 N O2 P Pd -","- C48.5 H48 Cl4 N O2 P Pd -","- C194 H192 Cl16 N4 O8 P4 Pd4 -","4","1","","Huang, Yinhua; Li, Yongxin; Leung, Pak-Hing; Hayashi, Tamio","Asymmetric synthesis of p-stereogenic diarylphosphinites by palladium-catalyzed enantioselective addition of diarylphosphines to benzoquinones.","Journal of the American Chemical Society","2014","136","13","4865","4868","10.1021/ja501007t","","","0.71073","MoKα","","0.0724","0.0597","","","0.1646","0.1782","","","","","","1.12","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121629","5.637","0.0004","18.6216","0.0015","21.6252","0.0016","90","","90","","90","","2270","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br N2 O7 -","- C25 H21 Br N2 O7 -","- C100 H84 Br4 N8 O28 -","4","1","","Ke, Zhihai; Tan, Chong Kiat; Chen, Feng; Yeung, Ying-Yeung","Catalytic Asymmetric Bromoetherification and Desymmetrization of Olefinic 1,3-Diols with C2-Symmetric Sulfides.","Journal of the American Chemical Society","2014","136","15","5627","","10.1021/ja5029155","","","0.71073","MoKα","","0.0584","0.0336","","","0.0615","0.0664","","","","","","1.028","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121630","6.074","0.003","8.408","0.003","24.076","0.011","92.153","0.01","90.801","0.009","92.691","0.012","1227.2","0.9","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H29 Br O2 -","- C31 H29 Br O2 -","- C62 H58 Br2 O4 -","2","2","","Ke, Zhihai; Tan, Chong Kiat; Chen, Feng; Yeung, Ying-Yeung","Catalytic Asymmetric Bromoetherification and Desymmetrization of Olefinic 1,3-Diols with C2-Symmetric Sulfides.","Journal of the American Chemical Society","2014","136","15","5627","","10.1021/ja5029155","","","0.71073","MoKα","","0.1272","0.0624","","","0.0976","0.1139","","","","","","1.014","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121631","7.354","0.003","8.433","0.003","9.291","0.003","71.877","0.007","79.797","0.007","69.628","0.008","511.8","0.3","97","2","97","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","1","1","","Li, Xiabing; Coldham, Iain","Synthesis of 1,1-Disubstituted Tetrahydroisoquinolines by Lithiation and Substitution, with in Situ IR Spectroscopy and Configurational Stability Studies.","Journal of the American Chemical Society","2014","136","15","5551","","10.1021/ja500485f","","","0.71073","MoKα","","0.0442","0.0422","","","0.1039","0.106","","","","","","0.925","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121632","13.8171","0.0004","22.9181","0.0006","26.2263","0.0008","90","","90","","90","","8304.9","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H152 Li2 N10 Si6 U2 -","- C66 H152 Li2 N10 Si6 U2 -","- C264 H608 Li8 N40 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","","0.71073","MoKα","","0.0566","0.0317","","","0.052","0.0578","","","","","","1.024","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121633","14.9841","0.0002","13.84682","0.00015","20.9585","0.0002","90","","104.095","0.0012","90","","4217.59","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H152 N10 Na2 Si6 U2 -","- C66 H152 N10 Na2 Si6 U2 -","- C132 H304 N20 Na4 Si12 U4 -","2","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","x-ray","1.54184","CuKα","","0.0241","0.0205","","","0.0483","0.05","","","","","","1.024","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121634","13.81027","0.00012","23.1784","0.0002","26.5707","0.0002","90","","90","","90","","8505.28","0.12","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 K2 N10 Si6 U2 -","- C66 H150 K2 N10 Si6 U2 -","- C264 H600 K8 N40 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","x-ray","1.54184","CuKα","","0.0308","0.026","","","0.0605","0.063","","","","","","1.043","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121635","13.7768","0.0002","23.1164","0.0004","26.8905","0.0005","90","","90","","90","","8563.8","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H152 N10 Rb2 Si6 U2 -","- C66 H152 N10 Rb2 Si6 U2 -","- C264 H608 N40 Rb8 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","x-ray","1.54184","CuKα","","0.0752","0.0439","","","0.0948","0.1103","","","","","","1.013","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121636","13.8289","0.0005","22.9287","0.0009","27.1901","0.0013","90","","90","","90","","8621.4","0.6","120","","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H152 Cs2 N10 Si6 U2 -","- C66 H152 Cs2 N10 Si6 U2 -","- C264 H608 Cs8 N40 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","","0.71073","MoKα","","0.133","0.1154","","","0.2195","0.2274","","","","","","1.224","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121637","27.1227","0.0004","20.4398","0.0003","24.3891","0.0004","90","","101.169","0.0014","90","","13264.8","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H116 K N5 O10 Si3 U -","- C53 H116 K N5 O10 Si3 U -","- C424 H928 K8 N40 O80 Si24 U8 -","8","1","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","x-ray","1.54184","CuKα","","0.0409","0.0327","","","0.0752","0.0804","","","","","","1.036","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121638","14.1766","0.0012","16.222","0.0016","16.6284","0.0015","69.672","0.003","75.31","0.002","67.503","0.002","3280.7","0.5","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C65 H70 B Cl4 F4 Fe2 N O P4 S2 -","- C58 H54 B F4 Fe2 N O P4 S2 -","- C116 H108 B2 F8 Fe4 N2 O2 P8 S4 -","2","1","","Wang, Wenguang; Rauchfuss, Thomas B.; Zhu, Lingyang; Zampella, Giuseppe","New Reactions of Terminal Hydrides on a Diiron Dithiolate.","Journal of the American Chemical Society","2014","136","15","5773","","10.1021/ja501366j","","","0.71073","MoKα","","0.0402","0.0332","","","0.0863","0.09","","","","","","1.066","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121639","14.4632","0.0004","25.4013","0.0008","17.2705","0.0005","90","","101.627","0.0016","90","","6214.7","0.3","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C61.5 H60 B Cl4 F4 Fe2 O2 P4 S2 -","- C57 H50 B F4 Fe2 O2 P4 S2 -","- C228 H200 B4 F16 Fe8 O8 P16 S8 -","4","1","","Wang, Wenguang; Rauchfuss, Thomas B.; Zhu, Lingyang; Zampella, Giuseppe","New Reactions of Terminal Hydrides on a Diiron Dithiolate.","Journal of the American Chemical Society","2014","136","15","5773","","10.1021/ja501366j","","","0.71073","MoKα","","0.0508","0.0381","","","0.0826","0.0864","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121640","23.5145","0.0016","16.122","0.0011","24.2383","0.0015","90","","117.767","0.004","90","","8130.7","1","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C69.5 H67 Cl3 F12 Fe4 N2 O6 P6 S4 -","- C69 H66 Cl2 F12 Fe4 N2 O6 P6 S4 -","- C276 H264 Cl8 F48 Fe16 N8 O24 P24 S16 -","4","1","","Wang, Wenguang; Rauchfuss, Thomas B.; Zhu, Lingyang; Zampella, Giuseppe","New Reactions of Terminal Hydrides on a Diiron Dithiolate.","Journal of the American Chemical Society","2014","136","15","5773","","10.1021/ja501366j","","","0.71073","MoKα","","0.144","0.0677","","","0.1047","0.1259","","","","","","0.99","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121641","11.764","0.008","12.025","0.008","8.446","0.006","90","","90","","90","","1194.8","1.4","298","2","298","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Br2 Cd I2 Rb2 -","- Br2 Cd I2 Rb2 -","- Br8 Cd4 I8 Rb8 -","4","0.5","","Wu, Qi; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui","Rb2CdBr2I2: A New IR Nonlinear Optical Material with a Large Laser Damage Threshold.","Journal of the American Chemical Society","2014","136","15","5683","","10.1021/ja412405u","","","0.71073","MoKα","","0.0614","0.0557","","","0.176","0.1819","","","","","","1.103","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121642","16.0584","0.001","16.0584","0.001","19.8205","0.0013","90","","90","","120","","4426.4","0.5","446","2","446","2","","","","","","","","5","R -3 :H","-R 3","148","km26","","","- C24 H36 B3 Ho N12 -","- C24 H36 B3 Ho N12 -","- C144 H216 B18 Ho6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0199","0.0177","","","0.0407","0.0414","","","","","","1.058","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121643","16.0669","0.0008","16.0669","0.0008","19.8473","0.001","90","","90","","120","","4437.1","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km19","","","- C24 H36 B3 Dy N12 -","- C24 H36 B3 Dy N12 -","- C144 H216 B18 Dy6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0141","0.0139","","","0.0328","0.0329","","","","","","1.149","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121644","16.0352","0.0009","16.0352","0.0009","19.4744","0.0011","90","","90","","120","","4336.5","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km23","","","- C24 H36 B3 Er N12 -","- C24 H36 B3 Er N12 -","- C144 H216 B18 Er6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0126","0.0123","","","0.0308","0.0309","","","","","","1.072","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121645","16.214","0.009","16.214","0.009","19.624","0.011","90","","90","","120","","4468","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km14","","","- C24 H36 B3 Dy N12 -","- C24 H36 B3 Dy N12 -","- C144 H216 B18 Dy6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0235","0.0198","","","0.047","0.0484","","","","","","1.112","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121646","16.0909","0.0008","16.0909","0.0008","19.4144","0.001","90","","90","","120","","4353.3","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km16","","","- C24 H36 B3 N12 Tb -","- C24 H36 B3 N12 Tb -","- C144 H216 B18 N72 Tb6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0137","0.0135","","","0.0322","0.0325","","","","","","1.154","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121647","16.412","0.01","16.412","0.01","19.192","0.011","90","","90","","120","","4477","5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","km12","","","- C24 H36 B3 N12 U -","- C24 H36 B3 N12 U -","- C144 H216 B18 N72 U6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0179","0.0153","","","0.0363","0.0371","","","","","","1.091","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121648","16.2056","0.0015","16.2056","0.0015","19.9312","0.0018","90","","90","","120","","4533.1","0.7","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km21","","","- C24 H36 B3 N12 U -","- C24 H36 B3 N12 U -","- C144 H216 B18 N72 U6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0248","0.021","","","0.0513","0.0531","","","","","","1.188","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121649","16.0838","0.001","16.0838","0.001","19.4499","0.0012","90","","90","","120","","4357.4","0.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","KM37","","","- C24 H36 B3 N12 Y -","- C24 H36 B3 N12 Y -","- C144 H216 B18 N72 Y6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0214","0.0201","","","0.0548","0.0556","","","","","","1.094","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121650","16.0538","0.0018","16.0538","0.0018","19.783","0.002","90","","90","","120","","4415.5","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km25","","","- C24 H36 B3 Er N12 -","- C24 H36 B3 Er N12 -","- C144 H216 B18 Er6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0178","0.0162","","","0.0376","0.0382","","","","","","1.089","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121651","16.0584","0.0007","16.0584","0.0007","19.4547","0.0008","90","","90","","120","","4344.7","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km24","","","- C24 H36 B3 Ho N12 -","- C24 H36 B3 Ho N12 -","- C144 H216 B18 Ho6 N72 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0149","0.0142","","","0.034","0.0343","","","","","","1.074","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121652","16.0883","0.0006","16.0883","0.0006","19.8659","0.0007","90","","90","","120","","4453.1","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","km20","","","- C24 H36 B3 N12 Tb -","- C24 H36 B3 N12 Tb -","- C144 H216 B18 N72 Tb6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0216","0.0194","","","0.0428","0.0437","","","","","","1.085","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121653","16.0508","0.0008","16.0508","0.0008","19.82","0.0011","90","","90","","120","","4422.1","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","KM38","","","- C24 H36 B3 N12 Y -","- C24 H36 B3 N12 Y -","- C144 H216 B18 N72 Y6 -","6","0.333333","","Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Jr, Wayne W; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Long, Jeffrey R.","Influence of Pyrazolate vs N-Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes.","Journal of the American Chemical Society","2014","136","16","6056","6068","10.1021/ja501569t","","","0.71073","MoKα","","0.0294","0.0248","","","0.0586","0.0603","","","","","","1.075","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121654","12.1963","0.0016","6.6666","0.0012","7.014","0.0011","90","","105.85","0.01","90","","548.61","0.15","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H8 B2 F4 N4 -","- C10 H8 B2 F4 N4 -","- C20 H16 B4 F8 N8 -","2","0.25","","Tamgho, Ingrid-Suzy; Hasheminasab, Abed; Engle, James T.; Nemykin, Victor N.; Ziegler, Christopher J.","A New Highly Fluorescent and Symmetric Pyrrole-BF2 Chromophore: BOPHY.","Journal of the American Chemical Society","2014","136","15","5623","","10.1021/ja502477a","","","1.54178","CuKα","","0.0528","0.0508","","","0.1556","0.1578","","","","","","1.276","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4121655","8.9665","0.0005","9.2535","0.0005","9.3048","0.0005","89.782","0.003","82.21","0.003","70.804","0.002","721.69","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 N4 -","- C14 H18 N4 -","- C28 H36 N8 -","2","1","","Tamgho, Ingrid-Suzy; Hasheminasab, Abed; Engle, James T.; Nemykin, Victor N.; Ziegler, Christopher J.","A New Highly Fluorescent and Symmetric Pyrrole-BF2 Chromophore: BOPHY.","Journal of the American Chemical Society","2014","136","15","5623","","10.1021/ja502477a","","","0.71073","MoKα","","0.0469","0.0408","","","0.1064","0.1112","","","","","","1.039","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121656","9.1674","0.0003","11.8374","0.0004","7.2745","0.0003","90","","109.091","0.002","90","","746","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B2 F4 N4 -","- C14 H16 B2 F4 N4 -","- C28 H32 B4 F8 N8 -","2","0.5","","Tamgho, Ingrid-Suzy; Hasheminasab, Abed; Engle, James T.; Nemykin, Victor N.; Ziegler, Christopher J.","A New Highly Fluorescent and Symmetric Pyrrole-BF2 Chromophore: BOPHY.","Journal of the American Chemical Society","2014","136","15","5623","","10.1021/ja502477a","","","1.54178","CuKα","","0.0349","0.0325","","","0.0948","0.0969","","","","","","1.059","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121657","5.6372","0.0008","8.3368","0.0012","23.552","0.003","90","","93.317","0.002","90","","1105","0.3","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 Br N2 O -","- C27 H23 Br N2 O -","- C54 H46 Br2 N4 O2 -","2","1","","Matthew, Smitha C.; Glasspoole, Ben W.; Eisenberger, Patrick; Crudden, Cathleen M.","Synthesis of enantiomerically enriched triarylmethanes by enantiospecific suzuki-miyaura cross-coupling reactions.","Journal of the American Chemical Society","2014","136","16","5828","5831","10.1021/ja412159g","","","0.71073","MoKα","","0.0429","0.0325","","","0.0635","0.0671","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121658","11.5311","0.0003","11.5311","0.0003","23.9069","0.0011","90","","90","","90","","3178.81","0.19","100","","100","","","","","","","","","4","P 43","P 4cw","78","","LEO-1312-035-F11-13","","- C29 H52 O5 Si2 -","- C29 H52 O5 Si2 -","- C116 H208 O20 Si8 -","4","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","x-ray","0.71073","MoKα","K-L~3~","0.0397","0.0331","","","0.074","0.0758","","","","","","1.086","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121659","6.8166","0.0001","8.3757","0.0001","15.2655","0.0002","90","","94.829","0.001","90","","868.47","0.02","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","x-ray","1.54178","CuKα","K-L~3~","0.0293","0.0288","","","0.0743","0.0749","","","","","","1.085","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121660","6.4228","0.0003","18.912","0.0008","27.416","0.0011","90","","90","","90","","3330.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 N2 O9 Si -","- C33 H46 N2 O9 Si -","- C132 H184 N8 O36 Si4 -","4","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","1.54178","CuKα","","0.039","0.0366","","","0.0902","0.0919","","","","","","1.059","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121661","19.623","0.003","19.38","0.002","28.572","0.004","90","","91.685","0.004","90","","10861","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H46 N2 O9 Si -","- C33 H46 N2 O9 Si -","- C396 H552 N24 O108 Si12 -","12","6","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","0.71073","MoKα","","0.1112","0.0741","","","0.1852","0.201","","","","","","1.013","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121662","7.3627","0.0003","16.7402","0.0006","18.4583","0.0006","90","","90","","90","","2275.04","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O9 -","- C24 H26 N2 O9 -","- C96 H104 N8 O36 -","4","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","1.54178","CuKα","","0.0512","0.0438","","","0.1061","0.1119","","","","","","1.038","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121663","14.3507","0.0003","14.4432","0.0003","14.5134","0.0003","90","","90","","90","","3008.19","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 O2 Si2 -","- C27 H48 O2 Si2 -","- C108 H192 O8 Si8 -","4","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","0.71073","MoKα","","0.033","0.0289","","","0.071","0.0737","","","","","","1.028","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121664","13.9788","0.0005","13.9788","0.0005","14.9179","0.0006","90","","90","","120","","2524.52","0.16","100","2","100","2","","","","","","","","4","P 31","P 31","144","","","","- C35 H45 Br O8 -","- C35 H45 Br O8 -","- C105 H135 Br3 O24 -","3","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","1.54178","CuKα","","0.0353","0.0319","","","0.0749","0.0765","","","","","","1.046","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121665","21.972","0.004","5.2014","0.001","12.991","0.002","90","","117.393","0.003","90","","1318.2","0.4","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C.","A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir.","Journal of the American Chemical Society","2014","136","16","5900","5903","10.1021/ja502205q","","","0.71073","MoKα","","0.0273","0.0265","","","0.0681","0.0688","","","","","","1.037","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121666","7.0402","0.0013","8.819","0.0016","20.478","0.004","90","","90","","90","","1271.4","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C.","A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir.","Journal of the American Chemical Society","2014","136","16","5900","5903","10.1021/ja502205q","","","0.71073","MoKα","","0.0266","0.0264","","","0.0683","0.0684","","","","","","1.018","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121667","6.108","0.007","7.994","0.008","25.1","0.03","90","","90","","90","","1226","2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RB1-339","","","- C13 H15 F O4 -","- C13 H15 F O4 -","- C52 H60 F4 O16 -","4","1","","Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C.","A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir.","Journal of the American Chemical Society","2014","136","16","5900","5903","10.1021/ja502205q","","","1.54178","","","0.0208","0.0206","","","0.0536","0.0538","","","","","","1.096","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121668","4.7285","0.0002","10.6501","0.0004","27.8949","0.0012","90","","90","","90","","1404.76","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C.","A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir.","Journal of the American Chemical Society","2014","136","16","5900","5903","10.1021/ja502205q","","","1.54178","CuKα","","0.0342","0.0334","","","0.0841","0.0845","","","","","","1.071","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121669","10.0441","0.0015","7.5267","0.0012","13.403","0.002","90","","99.133","0.006","90","","1000.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Ni -","- C13 H14 Ni -","- C52 H56 Ni4 -","4","1","","Baljak, Sladjana; Russell, Andrew D.; Binding, Samantha C.; Haddow, Mairi F.; O'Hare, Dermot; Manners, Ian","Ring-opening polymerization of a strained [3]nickelocenophane: a route to polynickelocenes, a class of s = 1 metallopolymers.","Journal of the American Chemical Society","2014","136","16","5864","5867","10.1021/ja5014745","","","1.54178","CuKα","","0.0307","0.0293","","","0.0771","0.0778","","","","","","1.076","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121670","14.6218","0.0007","14.7718","0.0007","15.8406","0.0008","88.237","0.003","85.557","0.002","66.108","0.002","3118.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N2 Ni O -","- C38 H46 N2 Ni O -","- C152 H184 N8 Ni4 O4 -","4","2","","Baljak, Sladjana; Russell, Andrew D.; Binding, Samantha C.; Haddow, Mairi F.; O'Hare, Dermot; Manners, Ian","Ring-opening polymerization of a strained [3]nickelocenophane: a route to polynickelocenes, a class of s = 1 metallopolymers.","Journal of the American Chemical Society","2014","136","16","5864","5867","10.1021/ja5014745","","","0.71073","MoKα","","0.0659","0.0444","","","0.1134","0.1243","","","","","","1.067","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121671","10.141","0.004","18.471","0.007","18.792","0.007","90","","100.504","0.007","90","","3461","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H37 B F15 N -","- C34 H36.6764 B F15 N -","- C136 H146.706 B4 F60 N4 -","4","1","","Lawrence, Elliot J.; Oganesyan, Vasily S.; Hughes, David L.; Ashley, Andrew E.; Wildgoose, Gregory G.","An electrochemical study of frustrated lewis pairs: a metal-free route to hydrogen oxidation.","Journal of the American Chemical Society","2014","136","16","6031","6036","10.1021/ja500477g","","","0.71075","MoKα","","0.0612","0.0535","","","0.1166","0.1214","","","","","","1.128","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121672","14.8682","0.001","15.3817","0.0009","16.0142","0.0011","87.716","0.002","89.078","0.002","61.844","0.002","3226.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H73 B N P3 Ru Si -","- C72 H73 B N P3 Ru Si -","- C144 H146 B2 N2 P6 Ru2 Si2 -","2","1","","Lipke, Mark C.; Neumeyer, Felix; Tilley, T. Don","Interconversion of η(3)-H2SiRR' σ-Complexes and 16-Electron Silylene Complexes via Reversible H-H or C-H Elimination.","Journal of the American Chemical Society","2014","136","16","6092","6102","10.1021/ja501803w","","","0.71073","MoKα","","0.0973","0.0545","","","0.1093","0.1217","","","","","","0.929","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121673","12.4051","0.0012","13.7162","0.0013","20.534","0.002","72.644","0.005","88.841","0.005","65.196","0.004","3004.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H67 B Ge N P3 Ru -","- C69 H67 B Ge N P3 Ru -","- C138 H134 B2 Ge2 N2 P6 Ru2 -","2","1","","Lipke, Mark C.; Neumeyer, Felix; Tilley, T. Don","Interconversion of η(3)-H2SiRR' σ-Complexes and 16-Electron Silylene Complexes via Reversible H-H or C-H Elimination.","Journal of the American Chemical Society","2014","136","16","6092","6102","10.1021/ja501803w","","","0.71073","MoKα","","0.0347","0.0292","","","0.0685","0.0706","","","","","","1.061","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121674","12.1371","0.0006","14.68","0.0006","18.6112","0.0009","70.662","0.002","76.209","0.002","68.311","0.002","2881.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H72 B P3 Ru Si -","- C70 H72 B P3 Ru Si -","- C140 H144 B2 P6 Ru2 Si2 -","2","1","","Lipke, Mark C.; Neumeyer, Felix; Tilley, T. Don","Interconversion of η(3)-H2SiRR' σ-Complexes and 16-Electron Silylene Complexes via Reversible H-H or C-H Elimination.","Journal of the American Chemical Society","2014","136","16","6092","6102","10.1021/ja501803w","","","0.71073","MoKα","","0.0399","0.0323","","","0.0755","0.0798","","","","","","1.049","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121675","24.2555","0.0018","12.5562","0.0009","24.1978","0.0018","90","","95.026","0.002","90","","7341.3","0.9","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 F9 Ir N3 O6 S2 -","- C31 H36 F9 Ir N3 O6 S2 -","- C248 H288 F72 Ir8 N24 O48 S16 -","8","2","","Kim, Hyunwoo; Shin, Kwangmin; Chang, Sukbok","Iridium-catalyzed C-h amination with anilines at room temperature: compatibility of iridacycles with external oxidants.","Journal of the American Chemical Society","2014","136","16","5904","5907","10.1021/ja502270y","","","0.71073","MoKα","","0.0586","0.0406","","","0.0937","0.1069","","","","","","1.125","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121676","8.4476","0.0013","10.5579","0.0016","12.962","0.002","81.34","0.004","82.196","0.004","77.787","0.004","1110.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N4 O Rh -","- C23 H23 N4 O Rh -","- C46 H46 N8 O2 Rh2 -","2","1","","Imler, Gregory H.; Zdilla, Michael J.; Wayland, Bradford B.","Equilibrium Thermodynamics To Form a Rhodium Formyl Complex from Reactions of CO and H2: Metal σ Donor Activation of CO.","Journal of the American Chemical Society","2014","136","16","5856","5859","10.1021/ja501173d","","","0.71073","MoKα","","0.0571","0.0393","","","0.0731","0.077","","","","","","0.981","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121677","10.288","0.0005","14.6996","0.0007","15.4572","0.0008","90","","99.506","0.001","90","","2305.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl2 N4 Rh -","- C25 H29 Cl2 N4 Rh -","- C100 H116 Cl8 N16 Rh4 -","4","1","","Imler, Gregory H.; Zdilla, Michael J.; Wayland, Bradford B.","Equilibrium Thermodynamics To Form a Rhodium Formyl Complex from Reactions of CO and H2: Metal σ Donor Activation of CO.","Journal of the American Chemical Society","2014","136","16","5856","5859","10.1021/ja501173d","","","0.71073","MoKα","","0.0376","0.0246","","","0.0554","0.0582","","","","","","0.977","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121678","10.115","0.0018","11.94","0.002","17.117","0.003","87.852","0.003","76.963","0.003","68.835","0.002","1875.9","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","B in manuscript","","","- C40 H56 Cl N O P2 Ru -","- C40 H56 Cl N O P2 Ru -","- C80 H112 Cl2 N2 O2 P4 Ru2 -","2","1","","Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter","Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.","Journal of the American Chemical Society","2014","136","16","5923","5929","10.1021/ja409368a","","","0.71073","MoKα","","0.0496","0.0354","","","0.086","0.0925","","","","","","1.086","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121679","15.6113","0.0018","13.7775","0.0015","17.341","0.002","90","","91.599","0.002","90","","3728.3","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","B(prime) in manuscript","","","- C40 H56 Cl N O P2 Ru -","- C40 H56 Cl N O P2 Ru -","- C160 H224 Cl4 N4 O4 P8 Ru4 -","4","1","","Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter","Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.","Journal of the American Chemical Society","2014","136","16","5923","5929","10.1021/ja409368a","","","0.71073","MoKα","","0.0473","0.0339","","","0.0735","0.0775","","","","","","0.951","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121680","9.3907","0.0003","12.8593","0.0004","16.0266","0.0005","91.686","0.001","105.557","0.001","98.583","0.001","1838.65","0.1","200","2","200","2","","","","","","","","7","P -1","-P 1","2","E in manuscript","","","- C40 H54 Cl N O P2 Ru -","- C40 H54 Cl N O P2 Ru -","- C80 H108 Cl2 N2 O2 P4 Ru2 -","2","1","","Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter","Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.","Journal of the American Chemical Society","2014","136","16","5923","5929","10.1021/ja409368a","","","0.71073","MoKα","","0.0474","0.0358","","","0.0804","0.0857","","","","","","1.08","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121681","20.1573","0.0016","18.8644","0.0016","23.933","0.0019","90","","108.211","0.003","90","","8644.8","1.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","F in manuscript","","","- C46 H71 N O P2 Ru -","- C46 H71 N O P2 Ru -","- C368 H568 N8 O8 P16 Ru8 -","8","1","","Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter","Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.","Journal of the American Chemical Society","2014","136","16","5923","5929","10.1021/ja409368a","","","0.71073","MoKα","","0.0914","0.0607","","","0.1314","0.1439","","","","","","1.066","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121682","11.2357","0.0008","13.8823","0.0009","14.553","0.001","99.648","0.001","106.075","0.001","99.239","0.001","2098.4","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","G in manuscript","","","- C44 H64 N O2 P2 Ru -","- C44 H64 N O2 P2 Ru -","- C88 H128 N2 O4 P4 Ru2 -","2","1","","Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter","Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study.","Journal of the American Chemical Society","2014","136","16","5923","5929","10.1021/ja409368a","","","0.71073","MoKα","","0.075","0.051","","","0.1116","0.1244","","","","","","1.05","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121683","9.0086","0.0012","8","0.0009","26.351","0.004","90","","92.078","0.004","90","","1897.8","0.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","leung758s","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","1","","Toh, Kah Kah; Biswas, Anup; Wang, Yi-Feng; Tan, Yun Yun; Chiba, Shunsuke","Copper-Mediated Oxidative Transformation of N-Allyl Enamine Carboxylates toward Synthesis of Azaheterocycles.","Journal of the American Chemical Society","2014","136","16","6011","6020","10.1021/ja500382c","","","0.71073","MoKα","","0.0992","0.0519","","","0.1243","0.1703","","","","","","1.03","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121684","8.1157","0.0003","17.0873","0.0007","18.5821","0.0008","90","","91.54","0.002","90","","2575.95","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H35.62 Br1.1 F0.9 N4 Ni -","- C27.472 H35.648 Br1.0872 F0.912 N4 Ni -","- C109.888 H142.592 Br4.3488 F3.648 N16 Ni4 -","4","1","","Zheng, Bo; Tang, Fengzhi; Luo, Jia; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Organometallic Nickel(III) Complexes Relevant to Cross-Coupling and Carbon-Heteroatom Bond Formation Reactions.","Journal of the American Chemical Society","2014","136","17","6499","6504","10.1021/ja5024749","","","0.71073","MoKα","","0.0496","0.0344","","","0.0664","0.0713","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121685","11.2518","0.0005","24.698","0.0011","13.5396","0.0005","90","","106.176","0.003","90","","3613.7","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H96 Br2 F14 N8 Ni2 O3 P2 -","- C68 H96 Br2 F14 N8 Ni2 O3 P2 -","- C136 H192 Br4 F28 N16 Ni4 O6 P4 -","2","0.5","","Zheng, Bo; Tang, Fengzhi; Luo, Jia; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Organometallic Nickel(III) Complexes Relevant to Cross-Coupling and Carbon-Heteroatom Bond Formation Reactions.","Journal of the American Chemical Society","2014","136","17","6499","6504","10.1021/ja5024749","","","0.71073","MoKα","","0.0904","0.0455","","","0.088","0.1039","","","","","","1.002","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121686","11.7748","0.0019","15.072","0.003","19.717","0.005","75.795","0.016","77.796","0.011","89.143","0.011","3313","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H81 Cl2 F14 N8 Ni2 O P2 -","- C60 H81 Cl2 F14 N8 Ni2 O P2 -","- C120 H162 Cl4 F28 N16 Ni4 O2 P4 -","2","1","","Zheng, Bo; Tang, Fengzhi; Luo, Jia; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Organometallic Nickel(III) Complexes Relevant to Cross-Coupling and Carbon-Heteroatom Bond Formation Reactions.","Journal of the American Chemical Society","2014","136","17","6499","6504","10.1021/ja5024749","","","0.71073","MoKα","","0.3185","0.1014","","","0.2118","0.3069","","","","","","0.952","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121687","12.544","0.0005","19.6426","0.0007","13.4083","0.0005","90","","100.395","0.002","90","","3249.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 F N4 Ni O -","- C33 H49 F N4 Ni O -","- C132 H196 F4 N16 Ni4 O4 -","4","1","","Zheng, Bo; Tang, Fengzhi; Luo, Jia; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.","Organometallic Nickel(III) Complexes Relevant to Cross-Coupling and Carbon-Heteroatom Bond Formation Reactions.","Journal of the American Chemical Society","2014","136","17","6499","6504","10.1021/ja5024749","","","0.71073","MoKα","","0.1107","0.085","","","0.2411","0.2575","","","","","","1.102","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121688","9.1591","0.0016","15.697","0.003","12.779","0.002","90","","109.616","0.003","90","","1730.6","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H54 N4 P2 Si6 -","- C18 H54 N4 P2 Si6 -","- C36 H108 N8 P4 Si12 -","2","0.5","","Su, Yuanting; Zheng, Xin; Wang, Xingyong; Zhang, Xuan; Sui, Yunxia; Wang, Xinping","Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions.","Journal of the American Chemical Society","2014","136","17","6251","6254","10.1021/ja502675d","","","0.71073","MoKα","","0.0462","0.0373","","","0.0972","0.1047","","","","","","1.017","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121689","20.399","0.009","12.003","0.005","20.446","0.009","90","","117.444","0.007","90","","4443","3","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20 H58 Cl4 F6 N4 P2 Sb Si6 -","- C20 H58 Cl4 F6 N4 P2 Sb Si6 -","- C80 H232 Cl16 F24 N16 P8 Sb4 Si24 -","4","0.5","","Su, Yuanting; Zheng, Xin; Wang, Xingyong; Zhang, Xuan; Sui, Yunxia; Wang, Xinping","Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions.","Journal of the American Chemical Society","2014","136","17","6251","6254","10.1021/ja502675d","","","0.71073","MoKα","","0.1447","0.1064","","","0.2882","0.3355","","","","","","1.131","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121690","34.601","0.006","24.181","0.004","7.6392","0.0013","90","","90","","90","","6391.6","1.9","123","2","123","2","","","","","","","","4","C m m a","-C 2a 2","67","","","","- C24 H56 N4 P4 -","- C24 H56 N4 P4 -","- C192 H448 N32 P32 -","8","0.5","","Su, Yuanting; Zheng, Xin; Wang, Xingyong; Zhang, Xuan; Sui, Yunxia; Wang, Xinping","Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions.","Journal of the American Chemical Society","2014","136","17","6251","6254","10.1021/ja502675d","","","0.71073","MoKα","","0.1898","0.1794","","","0.4648","0.4846","","","","","","1.535","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121691","11.342","0.002","15.121","0.003","19.848","0.004","108.347","0.003","94.619","0.003","104.58","0.003","3079.2","1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H56 Al F36 N4 O4 P4 -","- C40 H56 Al F36 N4 O4 P4 -","- C80 H112 Al2 F72 N8 O8 P8 -","2","1","","Su, Yuanting; Zheng, Xin; Wang, Xingyong; Zhang, Xuan; Sui, Yunxia; Wang, Xinping","Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions.","Journal of the American Chemical Society","2014","136","17","6251","6254","10.1021/ja502675d","","","0.71073","MoKα","","0.1063","0.0757","","","0.2107","0.2502","","","","","","0.974","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121692","18.6895","0.0005","18.6895","0.0005","37.6886","0.0009","90","","90","","120","","11400.8","0.5","100","0.19","100","0.19","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C20 H8 Cu2 N2 O11 -","- C20 H8 Cu2 N2 O11 -","- C180 H72 Cu18 N18 O99 -","9","","","Li, Bin; Wen, Hui-Min; Wang, Hailong; Wu, Hui; Tyagi, Madhusudan; Yildirim, Taner; Zhou, Wei; Chen, Banglin","A porous metal-organic framework with dynamic pyrimidine groups exhibiting record high methane storage working capacity.","Journal of the American Chemical Society","2014","136","17","6207","6210","10.1021/ja501810r","","","0.71073","MoKα","","0.0896","0.0808","","","0.2558","0.2627","","","","","","1.108","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121693","8.0015","0.0008","10.3219","0.001","34.795","0.003","90","","90","","90","","2873.7","0.5","123","0.1","123","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N O3 -","- C31 H36 N O3 -","- C124 H144 N4 O12 -","4","1","","Leskinen, Mikko V.; Madarász, Adám; Yip, Kai-Tai; Vuorinen, Aini; Pápai, Imre; Neuvonen, Antti J.; Pihko, Petri M.","Cross-Dehydrogenative Couplings between Indoles and β-Keto Esters: Ligand-Assisted Ligand Tautomerization and Dehydrogenation via a Proton-Assisted Electron Transfer to Pd(II).","Journal of the American Chemical Society","2014","136","17","6453","6462","10.1021/ja501681y","","x-ray","1.54184","CuKα","","0.1308","0.1074","","","0.275","0.3025","","","","","","1.051","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121694","10.61764","0.00009","18.45055","0.00017","24.5248","0.0002","90","","99.3175","0.0008","90","","4741.05","0.07","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 F6 N2 O10 Pd2 -","- C38 H36 F6 N2 O10 Pd2 -","- C152 H144 F24 N8 O40 Pd8 -","4","1","","Leskinen, Mikko V.; Madarász, Adám; Yip, Kai-Tai; Vuorinen, Aini; Pápai, Imre; Neuvonen, Antti J.; Pihko, Petri M.","Cross-Dehydrogenative Couplings between Indoles and β-Keto Esters: Ligand-Assisted Ligand Tautomerization and Dehydrogenation via a Proton-Assisted Electron Transfer to Pd(II).","Journal of the American Chemical Society","2014","136","17","6453","6462","10.1021/ja501681y","","","1.54184","CuKα","","0.0362","0.0339","","","0.0817","0.0829","","","","","","1.05","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121695","15.9571","0.0012","16.2774","0.0013","18.1897","0.0014","72.796","0.003","72.89","0.002","77.158","0.002","4265.9","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C142 H220 Cl30 Cu3 I3 N6 -","- C142 H220 Cl30 Cu3 I3 N6 -","- C142 H220 Cl30 Cu3 I3 N6 -","1","0.5","","Weinberger, David S.; Amin Sk, Nurul; Mondal, Kartik Chandra; Melaimi, Mohand; Bertrand, Guy; Stückl, A Claudia; Roesky, Herbert W.; Dittrich, Birger; Demeshko, Serhiy; Schwederski, Brigitte; Kaim, Wolfgang; Jerabek, Paul; Frenking, Gernot","Isolation of Neutral Mononuclear Copper Complexes Stabilized by Two Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2014","136","17","6235","6238","10.1021/ja502521b","","x-ray","0.71073","MoKα","","0.0923","0.0552","","","0.1126","0.1342","","","","","","1.021","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121696","10.567","0.002","10.594","0.002","11.848","0.002","70.38","0.03","74.26","0.03","75.68","0.03","1184.5","0.5","100","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H39 Cu0.5 N -","- C27 H39 Cu0.5 N -","- C54 H78 Cu N2 -","2","1","","Weinberger, David S.; Amin Sk, Nurul; Mondal, Kartik Chandra; Melaimi, Mohand; Bertrand, Guy; Stückl, A Claudia; Roesky, Herbert W.; Dittrich, Birger; Demeshko, Serhiy; Schwederski, Brigitte; Kaim, Wolfgang; Jerabek, Paul; Frenking, Gernot","Isolation of Neutral Mononuclear Copper Complexes Stabilized by Two Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2014","136","17","6235","6238","10.1021/ja502521b","","","0.6199","","","0.0357","0.0329","","","0.0941","0.0965","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121697","9.5174","0.0003","12.0455","0.0003","17.6337","0.0005","86.172","0.002","84.756","0.002","76.646","0.002","1956.49","0.1","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H70 Cu N2 -","- C44 H70 Cu N2 -","- C88 H140 Cu2 N4 -","2","1","","Weinberger, David S.; Amin Sk, Nurul; Mondal, Kartik Chandra; Melaimi, Mohand; Bertrand, Guy; Stückl, A Claudia; Roesky, Herbert W.; Dittrich, Birger; Demeshko, Serhiy; Schwederski, Brigitte; Kaim, Wolfgang; Jerabek, Paul; Frenking, Gernot","Isolation of Neutral Mononuclear Copper Complexes Stabilized by Two Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2014","136","17","6235","6238","10.1021/ja502521b","","","0.71073","MoKα","","0.0379","0.0314","","","0.0795","0.083","","","","","","1.065","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121698","8.2456","0.0001","12.3627","0.0002","12.7774","0.0002","83.0987","0.0006","73.8045","0.0007","72.8974","0.0008","1194.47","0.03","446","2","446.15","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H52 N4 O8 -","- C60 H52 N4 O8 -","- C60 H52 N4 O8 -","1","0.5","","Li, Hui; Hughes, Russell P.; Wu, Jimmy","Dearomative indole (3 + 2) cycloaddition reactions.","Journal of the American Chemical Society","2014","136","17","6288","6296","10.1021/ja412435b","","","1.54184","CuKα","","0.0582","0.0534","","","0.1717","0.178","","","","","","1.48","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121699","10.0359","0.0018","10.4992","0.0019","10.888","0.002","81.541","0.002","69.756","0.002","70.441","0.002","1013.6","0.3","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N O -","- C27 H27 N O -","- C54 H54 N2 O2 -","2","1","","Li, Hui; Hughes, Russell P.; Wu, Jimmy","Dearomative indole (3 + 2) cycloaddition reactions.","Journal of the American Chemical Society","2014","136","17","6288","6296","10.1021/ja412435b","","","0.71073","MoKα","","0.0656","0.0426","","","0.098","0.1121","","","","","","1.049","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121700","13.0202","0.0008","10.2694","0.0007","18.7419","0.0012","90","","105.571","0.001","90","","2414","0.3","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N2 O4 -","- C30 H26 N2 O4 -","- C120 H104 N8 O16 -","4","1","","Li, Hui; Hughes, Russell P.; Wu, Jimmy","Dearomative indole (3 + 2) cycloaddition reactions.","Journal of the American Chemical Society","2014","136","17","6288","6296","10.1021/ja412435b","","","0.71073","MoKα","","0.0535","0.0405","","","0.093","0.1","","","","","","1.024","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121701","15.3811","0.0003","13.5148","0.0003","19.2527","0.0004","90","","98.9852","0.0007","90","","3953","0.14","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H37 F3 O4 P2 Pd S -","- C46 H37 F3 O4 P2 Pd S -","- C184 H148 F12 O16 P8 Pd4 S4 -","4","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Regiocontrolled palladium-catalyzed arylative cyclizations of alkynols.","Journal of the American Chemical Society","2014","136","17","6255","6258","10.1021/ja5029028","","","1.54187","CuKα","","0.0574","0.0503","","","0.1319","0.1469","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121702","9.7792","0.0003","10.4539","0.0003","11.2183","0.0003","100.735","0.0019","103.186","0.002","111.1","0.0018","995.25","0.05","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C42 H52 N4 O6 S2 -","2","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Regiocontrolled palladium-catalyzed arylative cyclizations of alkynols.","Journal of the American Chemical Society","2014","136","17","6255","6258","10.1021/ja5029028","","","1.54187","CuKα","","0.064","0.0511","","","0.1248","0.1357","","","","","","1.081","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121703","8.9334","0.0002","11.2354","0.0002","19.4368","0.0004","90","","90","","90","","1950.88","0.07","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O3 S -","- C21 H29 N O3 S -","- C84 H116 N4 O12 S4 -","4","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Regiocontrolled palladium-catalyzed arylative cyclizations of alkynols.","Journal of the American Chemical Society","2014","136","17","6255","6258","10.1021/ja5029028","","","1.54187","CuKα","","0.0335","0.0325","","","0.0976","0.0994","","","","","","0.84","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121704","9.2676","0.0004","11.5486","0.0005","15.7879","0.0007","90","","94.439","0.003","90","","1684.68","0.13","93","2","93","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Regiocontrolled palladium-catalyzed arylative cyclizations of alkynols.","Journal of the American Chemical Society","2014","136","17","6255","6258","10.1021/ja5029028","","","1.54187","CuKα","","0.0612","0.0564","","","0.1215","0.1251","","","","","","1.051","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121705","8.8867","0.0018","22.452","0.005","20.673","0.004","90","","93.025","0.004","90","","4119","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H66 N2 Ni P2 -","- C43 H66 N2 Ni P2 -","- C172 H264 N8 Ni4 P8 -","4","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.0607","0.0503","","","0.1181","0.1236","","","","","","1.076","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121706","11.3623","0.0016","11.4984","0.0016","30.63","0.004","90","","90","","90","","4001.8","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H66 Ni P2 -","- C43 H66 Ni P2 -","- C172 H264 Ni4 P8 -","4","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.0812","0.0574","","","0.0851","0.0912","","","","","","0.947","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121707","12.7248","0.0017","14.8784","0.0019","39.541","0.005","90","","93.228","0.003","90","","7474.2","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H78 B F24 Ni P2 -","- C75 H78 B F24 Ni P2 -","- C300 H312 B4 F96 Ni4 P8 -","4","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.0768","0.0504","","","0.1134","0.1225","","","","","","0.915","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121708","24.967","0.004","20.773","0.003","8.083","0.0012","90","","90","","90","","4192.2","1.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H60 N2 Ni P2 -","- C47 H60 N2 Ni P2 -","- C188 H240 N8 Ni4 P8 -","4","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.1048","0.0593","","","0.1126","0.1231","","","","","","0.863","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121709","11.0989","0.0018","12.179","0.002","16.802","0.003","89.432","0.003","78.88","0.004","64.572","0.003","2005.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H60 Ni P2 -","- C47 H60 Ni P2 -","- C94 H120 Ni2 P4 -","2","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.0697","0.0486","","","0.1024","0.1073","","","","","","0.907","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121710","11.556","0.004","11.052","0.003","14.829","0.005","90","","108.209","0.006","90","","1799.1","1","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 As Cl2 P -","- C18 H22 As Cl2 P -","- C72 H88 As4 Cl8 P4 -","4","1","","Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.","Journal of the American Chemical Society","2014","136","17","6247","6250","10.1021/ja502625z","","","0.71073","MoKα","","0.0268","0.0241","","","0.0569","0.0587","","","","","","1.042","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121711","16.5","0.004","11.912","0.003","18.07","0.005","90","","113.803","0.005","90","","3249.5","1.5","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 As P -","- C18 H22 As P -","- C144 H176 As8 P8 -","8","2","","Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.","Journal of the American Chemical Society","2014","136","17","6247","6250","10.1021/ja502625z","","","0.71075","MoKα","","","0.0533","","","","0.1413","","","","","","1.057","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121712","7.519","0.002","8.53","0.002","14.504","0.004","79.9","0.03","81.97","0.03","65.587","0.019","831.6","0.4","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 As P -","- C18 H24 As P -","- C36 H48 As2 P2 -","2","1","","Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.","Journal of the American Chemical Society","2014","136","17","6247","6250","10.1021/ja502625z","","","0.71075","MoKα","","","0.0639","","","","0.1721","","","","","","1.027","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121713","14.244","0.002","14.7481","0.0019","16.041","0.002","82.916","0.006","73.841","0.005","64.684","0.005","2925.8","0.7","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H80 As3 O7 P3 -","- C60 H72 As3 O7 P3 -","- C120 H144 As6 O14 P6 -","2","1","","Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.","Journal of the American Chemical Society","2014","136","17","6247","6250","10.1021/ja502625z","","","0.71075","MoKα","","","0.0663","","","","0.1184","","","","","","1.021","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121714","23.375","0.003","15.629","0.002","39.905","0.006","90","","106.088","0.003","90","","14007","3","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H94 As4 O3 P4 -","- C78 H94 As4 O3 P4 -","- C624 H752 As32 O24 P32 -","8","1","","Chalmers, Brian A.; Bühl, Michael; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Geometrically enforced donor-facilitated dehydrocoupling leading to an isolable arsanylidine-phosphorane.","Journal of the American Chemical Society","2014","136","17","6247","6250","10.1021/ja502625z","","","0.71075","MoKα","","","0.0388","","","","0.1006","","","","","","0.964","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121715","10.8873","0.0006","14.8827","0.0009","15.9049","0.0009","74.193","0.003","72.57","0.003","74.146","0.002","2313.7","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H58 K N O5 P2 -","- C52 H58 K N O5 P2 -","- C104 H116 K2 N2 O10 P4 -","2","1","","Zhang, Jiadi; Bellomo, Ana; Trongsiriwat, Nisalak; Jia, Tiezheng; Carroll, Patrick J.; Dreher, Spencer D.; Tudge, Matthew T.; Yin, Haolin; Robinson, Jerome R.; Schelter, Eric J.; Walsh, Patrick J.","NiXantphos: A Deprotonatable Ligand for Room-Temperature Palladium-Catalyzed Cross-Couplings of Aryl Chlorides.","Journal of the American Chemical Society","2014","136","17","6276","6287","10.1021/ja411855d","","","0.71073","MoKα","","0.0906","0.0578","","","0.1423","0.1718","","","","","","1.045","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121716","10.8453","0.0007","18.1426","0.0013","26.216","0.0017","90","","93.676","0.004","90","","5147.7","0.6","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H66 K N O9 P2 -","- C56 H66 K N O9 P2 -","- C224 H264 K4 N4 O36 P8 -","4","1","","Zhang, Jiadi; Bellomo, Ana; Trongsiriwat, Nisalak; Jia, Tiezheng; Carroll, Patrick J.; Dreher, Spencer D.; Tudge, Matthew T.; Yin, Haolin; Robinson, Jerome R.; Schelter, Eric J.; Walsh, Patrick J.","NiXantphos: A Deprotonatable Ligand for Room-Temperature Palladium-Catalyzed Cross-Couplings of Aryl Chlorides.","Journal of the American Chemical Society","2014","136","17","6276","6287","10.1021/ja411855d","","","0.71073","MoKα","","0.0602","0.0535","","","0.1391","0.1456","","","","","","1.028","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121717","39.5647","0.0019","12.2212","0.0006","24.1733","0.0013","90","","124.594","0.002","90","","9621.9","0.9","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 Cl N O P2 Pd -","- C42 H32 Cl N O P2 Pd -","- C336 H256 Cl8 N8 O8 P16 Pd8 -","8","1","","Zhang, Jiadi; Bellomo, Ana; Trongsiriwat, Nisalak; Jia, Tiezheng; Carroll, Patrick J.; Dreher, Spencer D.; Tudge, Matthew T.; Yin, Haolin; Robinson, Jerome R.; Schelter, Eric J.; Walsh, Patrick J.","NiXantphos: A Deprotonatable Ligand for Room-Temperature Palladium-Catalyzed Cross-Couplings of Aryl Chlorides.","Journal of the American Chemical Society","2014","136","17","6276","6287","10.1021/ja411855d","","","0.71073","MoKα","","0.0727","0.0507","","","0.1313","0.1383","","","","","","1.073","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121718","31.977","0.004","14.9581","0.0017","23.583","0.003","90","","129.495","0.004","90","","8704.6","1.9","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H84 K2 N2 O6 P4 Pd -","- C88 H84 K2 N2 O6 P4 Pd -","- C352 H336 K8 N8 O24 P16 Pd4 -","4","0.5","","Zhang, Jiadi; Bellomo, Ana; Trongsiriwat, Nisalak; Jia, Tiezheng; Carroll, Patrick J.; Dreher, Spencer D.; Tudge, Matthew T.; Yin, Haolin; Robinson, Jerome R.; Schelter, Eric J.; Walsh, Patrick J.","NiXantphos: A Deprotonatable Ligand for Room-Temperature Palladium-Catalyzed Cross-Couplings of Aryl Chlorides.","Journal of the American Chemical Society","2014","136","17","6276","6287","10.1021/ja411855d","","","0.71073","MoKα","","0.2019","0.137","","","0.3553","0.3971","","","","","","1.297","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121719","9.6339","0.0008","10.5744","0.0007","9.9361","0.0009","90","","92.246","0.007","90","","1011.44","0.14","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl-2-(benzyloxy)-4-(2,5-dioxopyrrolidin-1-yl) cyclopentane-1,1-dicarboxylate","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C40 H46 N2 O14 -","2","1","","de Nanteuil, Florian; Serrano, Eloisa; Perrotta, Daniele; Waser, Jerome","Dynamic kinetic asymmetric [3 + 2] annulation reactions of aminocyclopropanes.","Journal of the American Chemical Society","2014","136","17","6239","6242","10.1021/ja5024578","","x-ray","1.54186","CuKα","","0.0339","0.0329","","","0.0898","0.0903","","","","","","1.052","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121720","9.4821","0.0009","9.4938","0.0007","14.3422","0.0019","90","","103.497","0.009","90","","1255.4","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16.5 H27 Cl3 Cu1.5 N3 O15 -","- C17 H32 Cl2 Cu N2 O12 -","- C34 H64 Cl4 Cu2 N4 O24 -","2","1","","de Nanteuil, Florian; Serrano, Eloisa; Perrotta, Daniele; Waser, Jerome","Dynamic kinetic asymmetric [3 + 2] annulation reactions of aminocyclopropanes.","Journal of the American Chemical Society","2014","136","17","6239","6242","10.1021/ja5024578","","","1.54186","CuKα","","0.0476","0.0459","","","0.1254","0.1271","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121721","17.0682","0.0004","16.9409","0.0004","17.307","0.0005","90","","110.952","0.001","90","","4673.4","0.2","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 B F4 N5 P2 Rh -","- C47 H46 B F4 N5 P2 Rh -","- C188 H184 B4 F16 N20 P8 Rh4 -","4","1","","Goldfogel, Matthew J.; Roberts, Courtney C.; Meek, Simon J.","Intermolecular Hydroamination of 1,3-Dienes Catalyzed by Bis(phosphine)carbodicarbene-Rhodium Complexes.","Journal of the American Chemical Society","2014","136","17","6227","6230","10.1021/ja502275w","","","1.54178","CuKα","","0.0437","0.0396","","","0.1041","0.1067","","","","","","1.064","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121722","8.634","0.002","11.104","0.002","12.802","0.002","68.825","0.008","86.934","0.012","87.821","0.012","1142.6","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 B O3 Si -","- C24 H27 B O3 Si -","- C48 H54 B2 O6 Si2 -","2","1","","Ito, Masaki; Itazaki, Masumi; Nakazawa, Hiroshi","Selective boryl silyl ether formation in the photoreaction of bisboryloxide/boroxine with hydrosilane catalyzed by a transition-metal carbonyl complex.","Journal of the American Chemical Society","2014","136","17","6183","6186","10.1021/ja500465x","","","0.7107","MoKα","","0.0966","0.0713","","","0.1454","0.1558","","","","","","1.142","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121723","11.0778","0.0016","15.267","0.002","18.537","0.003","90","","91.017","0.003","90","","3134.6","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 B O2 Si2 -","- C37 H33 B O2 Si2 -","- C148 H132 B4 O8 Si8 -","4","1","","Ito, Masaki; Itazaki, Masumi; Nakazawa, Hiroshi","Selective boryl silyl ether formation in the photoreaction of bisboryloxide/boroxine with hydrosilane catalyzed by a transition-metal carbonyl complex.","Journal of the American Chemical Society","2014","136","17","6183","6186","10.1021/ja500465x","","","0.7107","MoKα","","0.0738","0.0604","","","0.1227","0.1275","","","","","","1.192","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121724","10.523","0.005","11.722","0.005","12.562","0.006","90","","94.948","0.005","90","","1543.8","1.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 B2 Fe O6 Si2 -","- C26 H44 B2 Fe O6 Si2 -","- C52 H88 B4 Fe2 O12 Si4 -","2","0.5","","Ito, Masaki; Itazaki, Masumi; Nakazawa, Hiroshi","Selective boryl silyl ether formation in the photoreaction of bisboryloxide/boroxine with hydrosilane catalyzed by a transition-metal carbonyl complex.","Journal of the American Chemical Society","2014","136","17","6183","6186","10.1021/ja500465x","","","0.7107","MoKα","","0.0662","0.0583","","","0.1183","0.1218","","","","","","1.222","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121725","11.861","0.0006","17.618","0.0008","19.368","0.0005","90","","90","","90","","4047.3","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(t-Bu2MeSi)2As=P(2,4,6-t-Bu3-C6H2)","","- C36 H71 As Si3 -","- C36 H71 As Si3 -","- C144 H284 As4 Si12 -","4","1","","Lee, Vladimir Ya; Aoki, Shinji; Kawai, Manami; Meguro, Takahiko; Sekiguchi, Akira","Stibasilene sb═si and its lighter homologues: a comparative study.","Journal of the American Chemical Society","2014","136","17","6243","6246","10.1021/ja5026084","","","0.7107","MoKα","","0.061","0.048","","","0.1234","0.1373","","","","","","1.085","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121726","12.0632","0.0013","17.6672","0.0019","19.301","0.002","90","","90","","90","","4113.5","0.8","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H71 Sb Si3 -","- C36 H71 Sb Si3 -","- C144 H284 Sb4 Si12 -","4","1","","Lee, Vladimir Ya; Aoki, Shinji; Kawai, Manami; Meguro, Takahiko; Sekiguchi, Akira","Stibasilene sb═si and its lighter homologues: a comparative study.","Journal of the American Chemical Society","2014","136","17","6243","6246","10.1021/ja5026084","","","0.71073","MoKα","","0.0341","0.0286","","","0.0625","0.065","","","","","","1.009","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121727","19.0462","0.0004","25.0845","0.0006","19.0686","0.0004","90","","92.458","0.002","90","","9101.9","0.3","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44.5 B2 F8 N10.5 O2.5 Ru -","- C42 H44.5 B2 F8 N10.5 O2.5 Ru -","- C336 H356 B16 F64 N84 O20 Ru8 -","8","2","","Ashford, Dennis L.; Lapides, Alexander M.; Vannucci, Aaron K.; Hanson, Kenneth; Torelli, Daniel A.; Harrison, Daniel P.; Templeton, Joseph L.; Meyer, Thomas J.","Water oxidation by an electropolymerized catalyst on derivatized mesoporous metal oxide electrodes.","Journal of the American Chemical Society","2014","136","18","6578","6581","10.1021/ja502464s","","","1.54178","CuKα","","0.1148","0.0687","","","0.166","0.192","","","","","","1.014","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4121728","8.3783","0.0005","29.7661","0.0016","18.5467","0.001","90","","90","","90","","4625.3","0.4","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","BJL-Cy","compound-4m","","- C18 H26 O2 -","- C18 H26 O2 -","- C216 H312 O24 -","12","3","","Li, Bijie; Driess, Matthias; Hartwig, John F.","Iridium-catalyzed regioselective silylation of secondary alkyl C-h bonds for the synthesis of 1,3-diols.","Journal of the American Chemical Society","2014","136","18","6586","6589","10.1021/ja5026479","","","1.54178","CuKα","","0.0319","0.0299","","","0.0774","0.0789","","","","","","1.027","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121729","26.6681","0.0008","6.9135","0.0002","18.1388","0.0005","90","","92.539","0.002","90","","3340.97","0.17","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","BJL-1","compound-5v","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C144 H184 N8 O40 -","8","1","","Li, Bijie; Driess, Matthias; Hartwig, John F.","Iridium-catalyzed regioselective silylation of secondary alkyl C-h bonds for the synthesis of 1,3-diols.","Journal of the American Chemical Society","2014","136","18","6586","6589","10.1021/ja5026479","","","1.54178","CuKα","","0.0561","0.0446","","","0.108","0.115","","","","","","1.039","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121730","16.3011","0.0003","7.747","0.0001","14.8991","0.0003","90","","101.33","0.001","90","","1844.86","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BJL3","compound-5u","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C80 H108 N4 O20 -","4","1","","Li, Bijie; Driess, Matthias; Hartwig, John F.","Iridium-catalyzed regioselective silylation of secondary alkyl C-h bonds for the synthesis of 1,3-diols.","Journal of the American Chemical Society","2014","136","18","6586","6589","10.1021/ja5026479","","","0.71073","MoKα","","0.0405","0.0357","","","0.0836","0.0869","","","","","","1.036","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121731","10.334","0.002","11.469","0.003","12.422","0.003","80.86","0.011","78.93","0.012","74.04","0.009","1380.4","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Cl2 Cu N7 O9.5 -","- C26 H27 Cl2 Cu N7 O9.5 -","- C52 H54 Cl4 Cu2 N14 O19 -","2","1","","Zhang, Hu; Yao, Bo; Zhao, Liang; Wang, De-Xian; Xu, Bo-Qing; Wang, Mei-Xiang","Direct Synthesis of High-Valent Aryl-Cu(II) and Aryl-Cu(III) Compounds: Mechanistic Insight into Arene C-H Bond Metalation.","Journal of the American Chemical Society","2014","136","17","6326","6332","10.1021/ja412615h","","","0.71073","MoKα","","0.0537","0.0507","","","0.13","0.1325","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121732","10.629","0.004","11.129","0.005","12.417","0.005","111.368","0.004","96.113","0.006","109.468","0.0015","1245.4","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Cl Cu N8 O4 -","- C26 H23 Cl Cu N8 O4 -","- C52 H46 Cl2 Cu2 N16 O8 -","2","1","","Zhang, Hu; Yao, Bo; Zhao, Liang; Wang, De-Xian; Xu, Bo-Qing; Wang, Mei-Xiang","Direct Synthesis of High-Valent Aryl-Cu(II) and Aryl-Cu(III) Compounds: Mechanistic Insight into Arene C-H Bond Metalation.","Journal of the American Chemical Society","2014","136","17","6326","6332","10.1021/ja412615h","","","0.71073","MoKα","","0.0695","0.061","","","0.123","0.1283","","","","","","1.114","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121733","27.12","0.01","8.463","0.003","26.409","0.009","90","","113.04","0.004","90","","5578","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cl Cu N7 O5 -","- C26 H26 Cl Cu N7 O5 -","- C208 H208 Cl8 Cu8 N56 O40 -","8","1","","Zhang, Hu; Yao, Bo; Zhao, Liang; Wang, De-Xian; Xu, Bo-Qing; Wang, Mei-Xiang","Direct Synthesis of High-Valent Aryl-Cu(II) and Aryl-Cu(III) Compounds: Mechanistic Insight into Arene C-H Bond Metalation.","Journal of the American Chemical Society","2014","136","17","6326","6332","10.1021/ja412615h","","","0.71073","MoKα","","0.0859","0.074","","","0.2099","0.226","","","","","","1.161","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121734","13.0129","0.001","13.9929","0.0011","20.2901","0.0011","88.836","0.005","89.435","0.005","67.668","0.007","3416.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H108 K O16 Si4 U -","- C48 H108 K O16 Si4 U -","- C96 H216 K2 O32 Si8 U2 -","2","1","","Cooper, Oliver; Camp, Clément; Pécaut, Jacques; Kefalidis, Christos E.; Maron, Laurent; Gambarelli, Serge; Mazzanti, Marinella","Multimetallic Cooperativity in Uranium-Mediated CO2 Activation.","Journal of the American Chemical Society","2014","136","18","6716","6723","10.1021/ja5017624","","","0.71073","MoKα","","0.1315","0.0791","","","0.1682","0.2036","","","","","","1.051","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121735","13.5351","0.0004","13.6577","0.0004","23.083","0.0007","103.335","0.002","91.577","0.002","118.941","0.003","3584.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H115 K O17 Si4 U -","- C51 H115 K O17 Si4 U -","- C102 H230 K2 O34 Si8 U2 -","2","1","","Cooper, Oliver; Camp, Clément; Pécaut, Jacques; Kefalidis, Christos E.; Maron, Laurent; Gambarelli, Serge; Mazzanti, Marinella","Multimetallic Cooperativity in Uranium-Mediated CO2 Activation.","Journal of the American Chemical Society","2014","136","18","6716","6723","10.1021/ja5017624","","","0.71073","MoKα","","0.0648","0.0431","","","0.0749","0.0809","","","","","","1.046","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121736","24.8819","0.0009","16.4764","0.0005","46.4053","0.0012","90","","92.983","0.003","90","","18998.7","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69.75 H142 K2 O25 Si4 U -","- C69.75 H142 K2 O25 Si4 U -","- C558 H1136 K16 O200 Si32 U8 -","8","1","","Cooper, Oliver; Camp, Clément; Pécaut, Jacques; Kefalidis, Christos E.; Maron, Laurent; Gambarelli, Serge; Mazzanti, Marinella","Multimetallic Cooperativity in Uranium-Mediated CO2 Activation.","Journal of the American Chemical Society","2014","136","18","6716","6723","10.1021/ja5017624","","","0.71073","MoKα","","0.1468","0.0983","","","0.1447","0.1608","","","","","","1.323","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121737","13.5576","0.0006","13.8032","0.0006","16.9833","0.0007","101.888","0.003","112.316","0.003","98.62","0.003","2784.3","0.2","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ2-η5-13,17-Diethyl-12,18-dimethyldibenzo[b,g]-21,22-dicarbaporphyrinato)-dipalladium(ii)-palladium(iv)","","- C73 H56 Cl3 D N4 Pd3 -","- C73 H57 Cl3 N4 Pd3 -","- C146 H114 Cl6 N8 Pd6 -","2","1","","Abusalim, Deyaa I.; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis of an adj-Dicarbaporphyrin and the Formation of an Unprecedented Tripalladium Sandwich Complex.","Journal of the American Chemical Society","2014","136","18","6763","6772","10.1021/ja502795x","","","0.71073","MoKα","","0.1103","0.0648","","","","0.1777","","","","","","1.081","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121738","8.443","0.003","8.444","","18.557","0.006","90","","90","","90","","1323","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N S -","- C14 H17 N S -","- C56 H68 N4 S4 -","4","1","","Zhuo, Chun-Xiang; Zhou, Yong; You, Shu-Li","Highly Regio- and Enantioselective Synthesis of Polysubstituted 2H-Pyrroles via Pd-Catalyzed Intermolecular Asymmetric Allylic Dearomatization of Pyrroles.","Journal of the American Chemical Society","2014","136","18","6590","6593","10.1021/ja5028138","","","0.71073","MoKα","","0.0604","0.0416","","","0.0806","0.0871","","","","","","1.037","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121739","9.814","0.002","5.6952","0.0011","16.213","0.003","90","","101.13","0.03","90","","889.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N O -","- C23 H23 N O -","- C46 H46 N2 O2 -","2","1","","He, Ruoyu; Jin, Xiqing; Chen, Hui; Huang, Zhi-Tang; Zheng, Qi-Yu; Wang, Congyang","Mn-catalyzed three-component reactions of imines/nitriles, grignard reagents, and tetrahydrofuran: an expedient access to 1,5-amino/keto alcohols.","Journal of the American Chemical Society","2014","136","18","6558","6561","10.1021/ja503520t","","","0.71073","MoKα","","0.0935","0.0783","","","0.1257","0.133","","","","","","1.164","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121740","12.5099","0.0004","13.121","0.0005","26.2852","0.0008","80.271","0.001","81.917","0.001","88.161","0.001","4210.1","0.2","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C89 H80 Cl4 Hg N8 O12 Pb S3 -","- C89 H80 Cl4 Hg N8 O12 Pb S3 -","- C178 H160 Cl8 Hg2 N16 O24 Pb2 S6 -","2","1","","Le Gac, Stéphane; Fusaro, Luca; Roisnel, Thierry; Boitrel, Bernard","Heterobimetallic porphyrin complexes displaying triple dynamics: coupled metal motions controlled by constitutional evolution.","Journal of the American Chemical Society","2014","136","18","6698","6715","10.1021/ja501926f","","x-ray","0.71073","MoKα","","0.0715","0.0594","","","0.1332","0.1396","","","","","","1.116","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121741","12.73","0.0012","49.192","0.004","13.2149","0.0012","90","","92.641","0.002","90","","8266.6","1.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C171 H142 Cd2 N16 O22 Pb2 S5 -","- C171 H142 Cd2 N16 O22 Pb2 S5 -","- C342 H284 Cd4 N32 O44 Pb4 S10 -","2","1","","Le Gac, Stéphane; Fusaro, Luca; Roisnel, Thierry; Boitrel, Bernard","Heterobimetallic porphyrin complexes displaying triple dynamics: coupled metal motions controlled by constitutional evolution.","Journal of the American Chemical Society","2014","136","18","6698","6715","10.1021/ja501926f","","x-ray","0.71073","MoKα","","0.0838","0.0718","","","0.1742","0.1799","","","","","","1.033","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121742","8.47709","0.00009","16.63717","0.00015","11.91527","0.00012","90","","102.79","0.001","90","","1638.77","0.03","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B S2 -","- C19 H17 B S2 -","- C76 H68 B4 S8 -","4","1","","Levine, David R.; Siegler, Maxime A.; Tovar, John D.","Thiophene-Fused Borepins As Directly Functionalizable Boron-Containing π-Electron Systems.","Journal of the American Chemical Society","2014","136","19","7132","7139","10.1021/ja502644e","","","1.5418","CuKα","","0.0305","0.0297","","","0.0791","0.0795","","","","","","1.072","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121743","15.2727","0.0002","8.01478","0.00012","26.8254","0.0004","90","","97.6459","0.0016","90","","3254.43","0.08","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 B S2 -","- C19 H17 B S2 -","- C152 H136 B8 S16 -","8","1","","Levine, David R.; Siegler, Maxime A.; Tovar, John D.","Thiophene-Fused Borepins As Directly Functionalizable Boron-Containing π-Electron Systems.","Journal of the American Chemical Society","2014","136","19","7132","7139","10.1021/ja502644e","","","0.71073","MoKα","","0.0402","0.0343","","","0.0923","0.0962","","","","","","1.036","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121744","6.0733","0.001","8.6732","0.0014","9.2019","0.0016","90.852","0.005","108.997","0.005","94.179","0.005","456.71","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H3 Cl4 N O -","- C6 H3 Cl4 N O -","- C12 H6 Cl8 N2 O2 -","2","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0425","0.0348","","","0.0801","0.0846","","","","","","1.058","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121745","7.4893","0.0007","11.3222","0.0011","11.1631","0.001","90","","102.969","0.003","90","","922.43","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cl2 O2 -","- C8 H10 Cl2 O2 -","- C32 H40 Cl8 O8 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0446","0.032","","","0.0657","0.0702","","","","","","1.019","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121746","9.4966","0.0007","10.2364","0.0009","12.0587","0.0011","90","","104.097","0.003","90","","1136.94","0.17","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H13 Cl2 N O -","- C10 H13 Cl2 N O -","- C40 H52 Cl8 N4 O4 -","4","2","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0393","0.033","","","0.0672","0.0705","","","","","","1.037","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121747","4.8259","0.0005","9.2547","0.0011","44.131","0.005","90","","90","","90","","1971","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","EDII140C_B1","","","- C23 H21 Cl O6 -","- C23 H21 Cl O6 -","- C92 H84 Cl4 O24 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0439","0.0399","","","0.089","0.0913","","","","","","1.066","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121748","10.1255","0.0018","6.6412","0.001","10.6229","0.0017","90","","92.713","0.009","90","","713.5","0.2","200","","200","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H20 Cl N3 O2 -","- C11 H20 Cl N3 O2 -","- C22 H40 Cl2 N6 O4 -","2","0.5","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","x-ray","0.71073","MoKα","","0.0915","0.0698","","","0.1654","0.1771","","","","","","1.055","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121749","21.149","0.004","40.631","0.008","3.8885","0.0007","90","","90","","90","","3341.4","1.1","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H6 Cl2 N2 -","- C8 H6 Cl2 N2 -","- C128 H96 Cl32 N32 -","16","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0599","0.0497","","","0.1262","0.1317","","","","","","1.005","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121750","10.9621","0.0011","6.8681","0.0006","9.707","0.001","90","","90","","90","","730.83","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H6 Cl2 O2 -","- C6 H6 Cl2 O2 -","- C24 H24 Cl8 O8 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0516","0.0377","","","0.0755","0.0823","","","","","","1.031","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121751","7.4599","0.0004","15.6717","0.0008","10.2844","0.0005","90","","90","","90","","1202.34","0.11","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H9 Cl2 N O2 S -","- C11 H9 Cl2 N O2 S -","- C44 H36 Cl8 N4 O8 S4 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.029","0.0259","","","0.0635","0.0656","","","","","","1.024","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121752","6.3756","0.0013","7.0803","0.0016","7.9919","0.0018","63.815","0.006","70.832","0.006","70.159","0.006","297.63","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 Cl N3 -","- C6 H4 Cl N3 -","- C12 H8 Cl2 N6 -","2","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.037","0.0331","","","0.087","0.0908","","","","","","1.014","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121753","10.1031","0.0007","7.7315","0.0005","18.6457","0.0012","90","","90","","90","","1456.46","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","RR unknown","","","- C7 H8 Cl N O -","- C7 H8 Cl N O -","- C56 H64 Cl8 N8 O8 -","8","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","1.54178","CuKα","","0.0295","0.0291","","","0.0837","0.084","","","","","","1.055","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121754","10.1032","0.0014","8.1016","0.0011","11.0481","0.0016","90","","105.725","0.004","90","","870.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Cl N O2 S -","- C7 H8 Cl N O2 S -","- C28 H32 Cl4 N4 O8 S4 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0369","0.0303","","","0.0763","0.0809","","","","","","1.025","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121755","7.6158","0.0003","8.4994","0.0003","10.1588","0.0004","75.01","0.002","78.014","0.002","73.334","0.002","602.15","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","RR5174","","","- C10 H16 B Cl N2 O2 -","- C10 H16 B Cl N2 O2 -","- C20 H32 B2 Cl2 N4 O4 -","2","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0312","0.029","","","0.0758","0.0777","","","","","","1.014","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121756","10.3899","0.0012","20.39","0.002","8.7813","0.001","90","","97.789","0.004","90","","1843.2","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl2 N2 -","- C22 H16 Cl2 N2 -","- C88 H64 Cl8 N8 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0822","0.0559","","","0.1463","0.1606","","","","","","1.055","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121757","8.8504","0.0011","10.2991","0.0011","10.5406","0.0013","76.153","0.005","72.22","0.005","88.192","0.005","887.41","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","CBMG","","","- C5 H8 Cl N3 O4 -","- C5 H8 Cl N3 O4 -","- C20 H32 Cl4 N12 O16 -","4","2","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0349","0.0303","","","0.0756","0.0786","","","","","","1.02","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121758","13.9499","0.0005","13.1575","0.0004","15.5683","0.0007","90","","104.197","0.002","90","","2770.22","0.18","173","","173","2","","","","","","","Local laboratory","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Br I N O5 S -","- C28 H29 Br I N O5 S -","- C112 H116 Br4 I4 N4 O20 S4 -","4","1","","Sokolovs, Igors; Lubriks, Dmitrijs; Suna, Edgars","Copper-Catalyzed Intermolecular C-H Amination of (Hetero)arenes via Transient Unsymmetrical λ(3)-Iodanes.","Journal of the American Chemical Society","2014","136","19","6920","6928","10.1021/ja502174d","","","0.71073","MoKα","","0.124","0.064","","0.128","0.114","0.114","","","1.094","1.133","1.133","1.124","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4121759","22.794","0.003","12.8303","0.0013","18.2081","0.0019","90","","94.293","0.005","90","","5310.1","1","290","2","290","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tetrakis(trans-1-(4-pyridyl)-2-phenylethylene-N)-bis (trifluoromethanesulfonate-O)-di-silver(I)","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Hutchins, Kristin M.; Rupasinghe, Thilini P.; Ditzler, Lindsay R.; Swenson, Dale C.; Sander, John R. G.; Baltrusaitis, Jonas; Tivanski, Alexei V.; MacGillivray, Leonard R.","Nanocrystals of a Metal-Organic Complex Exhibit Remarkably High Conductivity that Increases in a Single-Crystal-to-Single-Crystal Transformation.","Journal of the American Chemical Society","2014","136","19","6778","6781","10.1021/ja4131774","","","0.71073","MoKα","","0.1032","0.086","","","0.2396","0.2599","","","","","","1.035","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121760","21.768","0.004","13.498","0.003","17.57","0.004","90","","98.24","0.03","90","","5109.2","1.9","190","2","190","2","","","","","","","","7","C 1 2 1","C 2y","5","","bis(mu2-3,4-diphenylcyclobutane-1,2-bis(4-pyridyl)- N,N')-bis(trifluoromethanesulfonate-O)-di-silver(I)","","- C54 H44 Ag2 F6 N4 O6 S2 -","- C53.99 H44 Ag2 F5.97 N4 O5.97 S1.99 -","- C215.96 H176 Ag8 F23.88 N16 O23.88 S7.96 -","4","1","","Hutchins, Kristin M.; Rupasinghe, Thilini P.; Ditzler, Lindsay R.; Swenson, Dale C.; Sander, John R. G.; Baltrusaitis, Jonas; Tivanski, Alexei V.; MacGillivray, Leonard R.","Nanocrystals of a Metal-Organic Complex Exhibit Remarkably High Conductivity that Increases in a Single-Crystal-to-Single-Crystal Transformation.","Journal of the American Chemical Society","2014","136","19","6778","6781","10.1021/ja4131774","","","0.71073","MoKα","","0.1563","0.1291","","","0.2974","0.3166","","","","","","1.114","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121761","7.8206","0.0003","10.9688","0.0004","11.6123","0.0004","79.086","0.002","73.099","0.002","81.272","0.002","930.9","0.06","186","2","186","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 F6 N3 P Ru -","- C16 H22 F6 N3 P Ru -","- C32 H44 F12 N6 P2 Ru2 -","2","1","","Zeng, Mingshuo; Li, Le; Herzon, Seth B.","A highly active and air-stable ruthenium complex for the ambient temperature anti-markovnikov reductive hydration of terminal alkynes.","Journal of the American Chemical Society","2014","136","19","7058","7067","10.1021/ja501738a","","","0.71073","MoKα","","0.0313","0.0266","","","0.0589","0.0607","","","","","","1.033","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121762","18.775","0.004","5.2389","0.0011","19.165","0.004","90","","113.833","0.002","90","","1724.3","0.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H22 Br N O3 -","- C16 H22 Br N O3 -","- C64 H88 Br4 N4 O12 -","4","1","","Terada, Masahiro; Komuro, Takazumi; Toda, Yasunori; Korenaga, Toshinobu","Mechanistic studies of highly enantio- and diastereoselective aza-petasis-ferrier rearrangement catalyzed by chiral phosphoric Acid.","Journal of the American Chemical Society","2014","136","19","7044","7057","10.1021/ja5017206","","","0.71073","MoKα","","0.0238","0.0212","","","0.0503","0.0512","","","","","","1.063","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121763","19.774","0.006","5.1185","0.0015","17.225","0.005","90","","113.152","0.004","90","","1603","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H20 Br N O3 -","- C15 H20 Br N O3 -","- C60 H80 Br4 N4 O12 -","4","1","","Terada, Masahiro; Komuro, Takazumi; Toda, Yasunori; Korenaga, Toshinobu","Mechanistic studies of highly enantio- and diastereoselective aza-petasis-ferrier rearrangement catalyzed by chiral phosphoric Acid.","Journal of the American Chemical Society","2014","136","19","7044","7057","10.1021/ja5017206","","","0.71073","MoKα","","0.0338","0.0304","","","0.0702","0.0714","","","","","","1.013","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121764","6.1724","0.0004","29.6965","0.0019","21.539","0.0015","90","","95.188","0.003","90","","3931.9","0.5","226","1","226","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Rh(3,6-DBSQ-4,5-(MeO)2)(CO)2]","","","- C18 H24 O6 Rh -","- C18 H24 O6 Rh -","- C144 H192 O48 Rh8 -","8","2","","Mitsumi, Minoru; Nishitani, Takashi; Yamasaki, Shota; Shimada, Nayuta; Komatsu, Yuuki; Toriumi, Koshiro; Kitagawa, Yasutaka; Okumura, Mitsutaka; Miyazaki, Yuji; Górska, Natalia; Inaba, Akira; Kanda, Akinori; Hanasaki, Noriaki","Bistable Multifunctionality and Switchable Strong Ferromagnetic-to-Antiferromagnetic Coupling in a One-Dimensional Rhodium(I)-Semiquinonato Complex.","Journal of the American Chemical Society","2014","136","19","7026","7037","10.1021/ja5017014","","x-ray","0.7107","MoKα","","0.0694","0.0428","","","0.0989","0.1101","","","","","","1.065","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121765","6.0396","0.0008","29.968","0.004","21.239","0.003","90","","97.449","0.005","90","","3811.7","0.9","162","1","162","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Rh(3,6-DBSQ-4,5-(MeO)2)(CO)2]","","","- C18 H24 O6 Rh -","- C18 H24 O6 Rh -","- C144 H192 O48 Rh8 -","8","2","","Mitsumi, Minoru; Nishitani, Takashi; Yamasaki, Shota; Shimada, Nayuta; Komatsu, Yuuki; Toriumi, Koshiro; Kitagawa, Yasutaka; Okumura, Mitsutaka; Miyazaki, Yuji; Górska, Natalia; Inaba, Akira; Kanda, Akinori; Hanasaki, Noriaki","Bistable Multifunctionality and Switchable Strong Ferromagnetic-to-Antiferromagnetic Coupling in a One-Dimensional Rhodium(I)-Semiquinonato Complex.","Journal of the American Chemical Society","2014","136","19","7026","7037","10.1021/ja5017014","","x-ray","0.7107","MoKα","","0.096","0.0716","","","0.1249","0.135","","","","","","1.214","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121766","27.8747","0.0004","13.78762","0.00017","45.415","0.0005","90","","90","","90","","17454.2","0.4","90","0.1","90","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60.1 H41.53 I6 N14.07 O3.23 Pd S1.8 Zn3 -","- C60.0996 H41.533 I6 N14.0666 O3.2332 Pd S1.8 Zn3 -","- C480.797 H332.264 I48 N112.533 O25.8656 Pd8 S14.4 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.0717","0.0616","","","0.1835","0.1917","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121767","27.6775","0.0009","13.7981","0.0003","44.3415","0.0011","90","","90","","90","","16933.9","0.8","90","0.1","90","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C53.2 H37.4 Br I6 N14.6 Pd Zn3 -","- C53.2 H37.4 Br I6 N14.6 Pd Zn3 -","- C425.6 H299.2 Br8 I48 N116.8 Pd8 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.1865","0.1278","","","0.3569","0.387","","","","","","1.249","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121768","27.5504","0.0003","13.8353","0.00019","44.5398","0.0006","90","","90","","90","","16977.1","0.4","90","0.1","90","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52.15 H33.5 Br I6 N12.95 Zn3 -","- C52.15 H33.5 Br I6 N12.95 Zn3 -","- C417.2 H268 Br8 I48 N103.6 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.0894","0.0825","","","0.2713","0.2791","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121769","27.774","0.003","13.8933","0.0016","44.585","0.005","90","","90","","90","","17204","3","90","2","90","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60.19 H44.78 I6 N15.59 O Pd S2 Zn3 -","- C60.1859 H44.7804 I6 N15.5938 O0.9999 Pd0.9999 S1.9998 Zn3 -","- C481.487 H358.243 I48 N124.75 O7.9992 Pd7.9992 S15.9984 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.113","0.0754","","","0.1915","0.2142","","","","","","0.874","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121770","11.322","0.002","12.875","0.003","24.184","0.005","90","","103.12","0.03","90","","3433.3","1.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C25 H53 Cl F3 N2 O4 P2 Re S -","- C25 H53 Cl F3 N2 O4 P2 Re S -","- C100 H212 Cl4 F12 N8 O16 P8 Re4 S4 -","4","1","","Klopsch, Isabel; Finger, Markus; Würtele, Christian; Milde, Bastian; Werz, Daniel B.; Schneider, Sven","Dinitrogen splitting and functionalization in the coordination sphere of rhenium.","Journal of the American Chemical Society","2014","136","19","6881","6883","10.1021/ja502759d","","","0.56086","AgKα","","0.039","0.0236","","","0.0465","0.0532","","","","","","1.106","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121771","15.1843","0.0012","12.3918","0.0009","27.434","0.002","90","","90","","90","","5162","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H45 Cl2 N2 P2 Re -","- C20 H45 Cl2 N2 P2 Re -","- C160 H360 Cl16 N16 P16 Re8 -","8","1","","Klopsch, Isabel; Finger, Markus; Würtele, Christian; Milde, Bastian; Werz, Daniel B.; Schneider, Sven","Dinitrogen splitting and functionalization in the coordination sphere of rhenium.","Journal of the American Chemical Society","2014","136","19","6881","6883","10.1021/ja502759d","","","0.56086","AgKα","","0.0604","0.0329","","","0.0518","0.0593","","","","","","1.05","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121772","12.1991","0.0013","12.3901","0.0014","16.5297","0.0018","90","","90","","90","","2498.4","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H44 Cl2 N P2 Re -","- C20 H44 Cl2 N P2 Re -","- C80 H176 Cl8 N4 P8 Re4 -","4","1","","Klopsch, Isabel; Finger, Markus; Würtele, Christian; Milde, Bastian; Werz, Daniel B.; Schneider, Sven","Dinitrogen splitting and functionalization in the coordination sphere of rhenium.","Journal of the American Chemical Society","2014","136","19","6881","6883","10.1021/ja502759d","","","0.56086","AgKα","","0.0405","0.038","","","0.0935","0.0966","","","","","","1.137","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121773","8.9323","0.001","7.2047","0.0008","11.5363","0.0013","90","","98.516","0.004","90","","734.23","0.14","296","2","296","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C34 H36 O6 -","2","1","","Yu, Zhunzhun; Ma, Ben; Chen, Mingjin; Wu, Hai-Hong; Liu, Lu; Zhang, Junliang","Highly Site-Selective Direct C-H Bond Functionalization of Phenols with α-Aryl-α-diazoacetates and Diazooxindoles via Gold Catalysis.","Journal of the American Chemical Society","2014","136","19","6904","6907","10.1021/ja503163k","","","0.71073","MoKα","","0.0846","0.0466","","","0.1054","0.124","","","","","","1.01","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121774","13.7112","0.0014","7.8902","0.0008","14.7754","0.0014","90","","105.614","0.003","90","","1539.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Yu, Zhunzhun; Ma, Ben; Chen, Mingjin; Wu, Hai-Hong; Liu, Lu; Zhang, Junliang","Highly Site-Selective Direct C-H Bond Functionalization of Phenols with α-Aryl-α-diazoacetates and Diazooxindoles via Gold Catalysis.","Journal of the American Chemical Society","2014","136","19","6904","6907","10.1021/ja503163k","","","0.71073","MoKα","","0.0977","0.0508","","","0.1159","0.144","","","","","","1.02","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121775","40.77","0.002","8.0162","0.0005","12.5151","0.0009","90","","96.608","0.003","90","","4063","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C176 H232 N8 O40 -","8","1","","Morcillo, Sara P.; Miguel, Delia; Resa, Sandra; Martín-Lasanta, Ana; Millán, Alba; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M; Mota, Antonio J.; Justicia, José; Cuerva, Juan M.","Ti(III)-Catalyzed Cyclizations of Ketoepoxypolyprenes: Control over the Number of Rings and Unexpected Stereoselectivities.","Journal of the American Chemical Society","2014","136","19","6943","6951","10.1021/ja411942h","","","1.54178","CuKα","","0.0896","0.058","","","0.1202","0.1312","","","","","","1.056","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121776","8.2456","0.0006","10.624","0.0007","19.2156","0.001","82.08","0.005","86.182","0.005","79.073","0.006","1635.61","0.19","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H51 Ir O2 P2 Si -","- C30 H51 Ir O2 P2 Si -","- C60 H102 Ir2 O4 P4 Si2 -","2","1","","Metsänen, Toni T; Hrobárik, Peter; Klare, Hendrik F. T.; Kaupp, Martin; Oestreich, Martin","Insight into the Mechanism of Carbonyl Hydrosilylation Catalyzed by Brookhart's Cationic Iridium(III) Pincer Complex.","Journal of the American Chemical Society","2014","136","19","6912","6915","10.1021/ja503254f","","x-ray","1.54184","CuKα","","0.0503","0.0469","","","0.1135","0.1177","","","","","","1.054","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121777","8.2047","0.0004","11.0592","0.0005","18.8425","0.0009","88.45","0.004","78.995","0.004","68.363","0.004","1558.26","0.14","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H55 Ir O2 P2 Si -","- C28 H55 Ir O2 P2 Si -","- C56 H110 Ir2 O4 P4 Si2 -","2","1","","Metsänen, Toni T; Hrobárik, Peter; Klare, Hendrik F. T.; Kaupp, Martin; Oestreich, Martin","Insight into the Mechanism of Carbonyl Hydrosilylation Catalyzed by Brookhart's Cationic Iridium(III) Pincer Complex.","Journal of the American Chemical Society","2014","136","19","6912","6915","10.1021/ja503254f","","x-ray","1.54184","CuKα","","0.0875","0.0838","","","0.2125","0.2148","","","","","","1.193","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121778","16.7516","0.0017","9.7376","0.0011","11.798","0.0012","90","","118.328","0.002","90","","1694","0.3","90","","90","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C33 H22 Cu2 F4 N2 O8 -","- C33 H22 Cu2 F4 N2 O8 -","- C66 H44 Cu4 F8 N4 O16 -","2","0.25","","Takasaki, Yuichi; Takamizawa, Satoshi","Gas permeation in a molecular crystal and space expansion.","Journal of the American Chemical Society","2014","136","19","6806","6809","10.1021/ja501045u","","","0.71073","MoKα","","0.061","0.0463","","","0.1318","0.1466","","","","","","1.123","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121779","10.4495","0.0017","12.662","0.002","17.918","0.003","84.349","0.002","79.418","0.002","65.712","0.002","2123.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H63 N3 O6 -","- C45 H63 N3 O6 -","- C90 H126 N6 O12 -","2","1","","Zhu, Kelong; Vukotic, V. Nicholas; O'Keefe, Christopher A; Schurko, Robert W.; Loeb, Stephen J.","Metal-Organic Frameworks with Mechanically Interlocked Pillars: Controlling Ring Dynamics in the Solid-State via a Reversible Phase Change.","Journal of the American Chemical Society","2014","136","20","7403","7409","10.1021/ja502238a","","","0.71073","MoKα","","0.1703","0.1049","","","0.2833","0.3297","","","","","","1.081","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121780","19.87","0.016","22.96","0.015","48.42","0.04","90","","96.63","0.03","90","","21942","3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C112 H170 N16 O17 Zn2 -","- C73 H79 N3 O14 Zn2 -","- C584 H632 N24 O112 Zn16 -","8","2","","Zhu, Kelong; Vukotic, V. Nicholas; O'Keefe, Christopher A; Schurko, Robert W.; Loeb, Stephen J.","Metal-Organic Frameworks with Mechanically Interlocked Pillars: Controlling Ring Dynamics in the Solid-State via a Reversible Phase Change.","Journal of the American Chemical Society","2014","136","20","7403","7409","10.1021/ja502238a","","","1.54178","CuKα","","0.1125","0.1038","","","0.2963","0.3056","","","","","","1.256","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121781","21.336","0.003","23.766","0.004","15.808","0.003","90","","101.568","0.002","90","","7853","2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C79 H93 N9 O16 Zn2 -","- C73 H79 N7 O14 Zn2 -","- C292 H316 N28 O56 Zn8 -","4","1","","Zhu, Kelong; Vukotic, V. Nicholas; O'Keefe, Christopher A; Schurko, Robert W.; Loeb, Stephen J.","Metal-Organic Frameworks with Mechanically Interlocked Pillars: Controlling Ring Dynamics in the Solid-State via a Reversible Phase Change.","Journal of the American Chemical Society","2014","136","20","7403","7409","10.1021/ja502238a","","","0.71073","MoKα","","0.1612","0.0971","","","0.215","0.2551","","","","","","1.002","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121782","29.335","0.006","29.335","0.006","41.358","0.01","90","","90","","90","","35590","13","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C360 H372 Co24 O126 S24 -","- C360 H328 Co24 O126 S24 -","- C720 H656 Co48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1917","0.1391","","","0.347","0.3755","","","","","","1.121","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121783","29.2376","0.0018","29.2376","0.0018","42.213","0.005","90","","90","","90","","36085","5","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C432 H516 Ni24 O126 S24 -","- C432 H512 Ni24 O126 S24 -","- C864 H1024 Ni48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1203","0.1074","","","0.3241","0.3423","","","","","","1.538","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121784","40.715","0.002","40.715","0.002","80.041","0.008","90","","90","","120","","114908","14","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C336 H324 Ni24 O126 S24 -","- C336 H312 Ni24 O126 S24 -","- C2016 H1872 Ni144 O756 S144 -","6","0.333333","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.2099","0.1564","","","0.4164","0.4916","","","","","","1.032","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121785","28.618","0.002","28.618","0.002","41.216","0.006","90","","90","","90","","33755","6","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C336 H324 Co24 O126 S24 -","- C336 H312 Co24 O126 S24 -","- C672 H624 Co48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1709","0.1496","","","0.3957","0.431","","","","","","1.59","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121786","29.6397","0.0016","29.6397","0.0016","42.389","0.004","90","","90","","90","","37239","5","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C432 H516 Mg24 O126 S24 -","- C432 H504 Mg24 O126 S24 -","- C864 H1008 Mg48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1425","0.1341","","","0.4214","0.4411","","","","","","1.095","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121787","29.335","0.005","29.335","0.005","41.486","0.002","90","","90","","90","","35700","9","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C360 H372 Ni24 O126 S24 -","- C360 H296 Ni24 O126 S24 -","- C720 H592 Ni48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.135","0.0957","","","0.2529","0.2774","","","","","","1.042","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121788","29.5252","0.0014","29.5252","0.0014","42.576","0.004","90","","90","","90","","37115","4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C432 H516 Co24 O126 S24 -","- C432 H504 Co24 O126 S24 -","- C864 H1008 Co48 O252 S48 -","2","0.125","","Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang","Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior.","Journal of the American Chemical Society","2014","136","20","7480","7491","10.1021/ja502839b","","","0.71073","MoKα","","0.1161","0.101","","","0.3149","0.3355","","","","","","1.236","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121789","10.3696","0.0006","15.7167","0.0007","23.6257","0.0011","90","","90","","90","","3850.4","0.3","193","2","193","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C46 H26 Br2 F6 N2 Ni -","- C46 H26 Br2 F6 N2 Ni -","- C184 H104 Br8 F24 N8 Ni4 -","4","0.5","","Vaidya, Tulaza; Klimovica, Kristine; LaPointe, Anne M.; Keresztes, Ivan; Lobkovsky, Emil B.; Daugulis, Olafs; Coates, Geoffrey W.","Secondary Alkene Insertion and Precision Chain-Walking: A New Route to Semicrystalline ""Polyethylene"" from α-Olefins by Combining Two Rare Catalytic Events.","Journal of the American Chemical Society","2014","136","20","7213","7216","10.1021/ja502130w","","","0.71073","MoKα","","0.0795","0.0625","","","0.1704","0.1835","","","","","","1.073","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121790","11.5011","0.0006","17.3566","0.0008","22.7205","0.001","86.209","0.002","85.802","0.002","85.61","0.002","4501.7","0.4","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H26 Br2 Cl2 F12 N2 Ni -","- C49 H26 Br2 Cl2 F12 N2 Ni -","- C196 H104 Br8 Cl8 F48 N8 Ni4 -","4","2","","Vaidya, Tulaza; Klimovica, Kristine; LaPointe, Anne M.; Keresztes, Ivan; Lobkovsky, Emil B.; Daugulis, Olafs; Coates, Geoffrey W.","Secondary Alkene Insertion and Precision Chain-Walking: A New Route to Semicrystalline ""Polyethylene"" from α-Olefins by Combining Two Rare Catalytic Events.","Journal of the American Chemical Society","2014","136","20","7213","7216","10.1021/ja502130w","","","0.71073","MoKα","","0.0872","0.0412","","","0.076","0.0889","","","","","","1.054","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121791","10.936","0.005","12.8","0.03","17.594","0.01","72.65","0.06","80.27","0.07","85.76","0.02","2316","6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","1","0.5","","Dalle, Kristian E.; Gruene, Tim; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Weakly Coupled Biologically Relevant Cu(II)2(μ-η(1):η(1)-O2) cis-Peroxo Adduct that Binds Side-On to Additional Metal Ions.","Journal of the American Chemical Society","2014","136","20","7428","7434","10.1021/ja5025047","","","0.82657","synchrotron","","0.0969","0.0881","","","0.2509","0.2601","","","","","","0.991","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121792","10.9645","0.001","12.7788","0.0012","17.545","0.0014","72.769","0.007","80.175","0.007","84.956","0.007","2311.7","0.4","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","- C68 H126 Cu4 F12 N16 Na2 O19 S4 -","1","0.5","","Dalle, Kristian E.; Gruene, Tim; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Weakly Coupled Biologically Relevant Cu(II)2(μ-η(1):η(1)-O2) cis-Peroxo Adduct that Binds Side-On to Additional Metal Ions.","Journal of the American Chemical Society","2014","136","20","7428","7434","10.1021/ja5025047","","","0.71073","MoKα","","0.1254","0.0773","","","0.1866","0.2096","","","","","","1.051","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121793","22.0888","0.0005","23.581","0.0005","40.2916","0.001","80.4182","0.0018","78.457","0.002","89.1904","0.0018","20271.6","0.8","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C333 H210.5 Au16 Cu32 F101.5 O P4 S34 -","- C332 H211.5 Au16 Cu32 F100.5 P4 S34 -","- C664 H423 Au32 Cu64 F201 P8 S68 -","2","1","","Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng","Structural Evolution of Atomically Precise Thiolated Bimetallic [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.","Journal of the American Chemical Society","2014","136","20","7197","7200","10.1021/ja501811j","","","1.5418","CuKα","","0.1622","0.1197","","","0.3292","0.3694","","","","","","1.278","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121794","20.7601","0.0007","23.6955","0.0007","23.7758","0.0007","108.611","0.003","105.491","0.003","107.174","0.003","9710.3","0.7","100.01","0.1","173.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C290 H272 Au14 Cl4 Cu32 F96 N4 O6 S32 -","- C288 H272 Au14 Cu32 F96 N4 S32 -","- C288 H272 Au14 Cu32 F96 N4 S32 -","1","0.5","","Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng","Structural Evolution of Atomically Precise Thiolated Bimetallic [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.","Journal of the American Chemical Society","2014","136","20","7197","7200","10.1021/ja501811j","","","1.5418","CuKα","","0.1044","0.0834","","","0.2483","0.2785","","","","","","1.094","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121795","21.8379","0.0008","21.0323","0.0011","43.031","0.002","90","","97.456","0.004","90","","19597.1","1.6","100","0.1","100","0.1","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C332 H314 Au18 Cl7 Cu32 F108 N4 S36 -","- C316 H286 Au18 Cu32 F108 N4 S36 -","- C632 H572 Au36 Cu64 F216 N8 S72 -","2","0.5","","Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng","Structural Evolution of Atomically Precise Thiolated Bimetallic [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.","Journal of the American Chemical Society","2014","136","20","7197","7200","10.1021/ja501811j","","","1.5418","CuKα","","0.1109","0.0889","","","0.2447","0.2637","","","","","","1.071","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121796","18.0621","0.0008","19.5128","0.0009","20.8568","0.001","63.599","0.005","82.266","0.004","80.078","0.004","6471.7","0.6","173","0.1","173","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C238 H164 Au13 Cl4 Cu12 F60 O4 P4 S20 -","- C236.638 H156.85 Au13 Cu12 F61.034 P4 S20 -","- C236.638 H156.85 Au13 Cu12 F61.034 P4 S20 -","1","0.5","","Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng","Structural Evolution of Atomically Precise Thiolated Bimetallic [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.","Journal of the American Chemical Society","2014","136","20","7197","7200","10.1021/ja501811j","","","1.5418","CuKα","","0.0579","0.0499","","","0.1485","0.156","","","","","","1.101","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121797","25.9452","0.001","23.5533","0.0006","30.3915","0.0008","90","","95.45","0.003","90","","18488.1","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C342 H284 Au12 Cu32 F90 P4 S30 -","- C306 H200 Au12 Cu32 F90 P4 S30 -","- C612 H400 Au24 Cu64 F180 P8 S60 -","2","0.5","","Yang, Huayan; Wang, Yu; Yan, Juanzhu; Chen, Xi; Zhang, Xin; Häkkinen, Hannu; Zheng, Nanfeng","Structural Evolution of Atomically Precise Thiolated Bimetallic [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.","Journal of the American Chemical Society","2014","136","20","7197","7200","10.1021/ja501811j","","","1.54184","CuKα","","0.1232","0.0956","","","0.2476","0.2857","","","","","","0.972","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121798","16.69","0.002","17.558","0.002","24.517","0.003","90","","90","","90","","7184.5","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[NMe_4]_2 [L_2 Cu_4 (μ_4-O)]","","","- C66 H74 Cu4 N16 O15 -","- C66 H66 Cu4 N16 O15 -","- C264 H264 Cu16 N64 O60 -","4","1","","Halvagar, Mohammad Reza; Solntsev, Pavlo V.; Lim, Hyeongtaek; Hedman, Britt; Hodgson, Keith O.; Solomon, Edward I.; Cramer, Christopher J.; Tolman, William B.","Hydroxo-Bridged Dicopper(II,III) and -(III,III) Complexes: Models for Putative Intermediates in Oxidation Catalysis.","Journal of the American Chemical Society","2014","136","20","7269","7272","10.1021/ja503629r","","","0.71073","MoKα","","0.1846","0.0917","","","0.2086","0.2587","","","","","","0.992","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121799","8.9723","0.0002","16.1009","0.0004","11.4418","0.0003","90","","105.978","0.002","90","","1589.05","0.07","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","[NMe_4] [L_2 Cu_2 (μ-OH)]","","","- C32.76 H27 Cu2 N8.38 O6.62 -","- C32.372 H27 Cu2 N8.186 O6.816 -","- C64.744 H54 Cu4 N16.372 O13.632 -","2","0.5","","Halvagar, Mohammad Reza; Solntsev, Pavlo V.; Lim, Hyeongtaek; Hedman, Britt; Hodgson, Keith O.; Solomon, Edward I.; Cramer, Christopher J.; Tolman, William B.","Hydroxo-Bridged Dicopper(II,III) and -(III,III) Complexes: Models for Putative Intermediates in Oxidation Catalysis.","Journal of the American Chemical Society","2014","136","20","7269","7272","10.1021/ja503629r","","","0.71073","MoKα","","0.0888","0.0701","","","0.195","0.2107","","","","","","1.082","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121800","14.5216","0.0007","14.5216","0.0007","15.9314","0.0011","90","","90","","90","","3359.6","0.3","123","2","123","2","","","","","","","","5","I -4 2 m","I -4 2","121","[NMe_4]_2 [L_2 Cu_4 (μ_4-O)]","","","- C52 H28 Cu4 N12 O9 -","- C52 H28 Cu4 N12 O9 -","- C104 H56 Cu8 N24 O18 -","2","0.125","","Halvagar, Mohammad Reza; Solntsev, Pavlo V.; Lim, Hyeongtaek; Hedman, Britt; Hodgson, Keith O.; Solomon, Edward I.; Cramer, Christopher J.; Tolman, William B.","Hydroxo-Bridged Dicopper(II,III) and -(III,III) Complexes: Models for Putative Intermediates in Oxidation Catalysis.","Journal of the American Chemical Society","2014","136","20","7269","7272","10.1021/ja503629r","","","1.54178","CuKα","","0.0427","0.0379","","","0.1052","0.1094","","","","","","1.095","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121810","20.562","0.004","12.0606","0.0002","24.4409","0.0017","90","","113.824","0.008","90","","5544.6","1.2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H79 Cl N4 Pd2 -","- C58 H79 Cl N4 Pd2 -","- C232 H316 Cl4 N16 Pd8 -","4","1","","Hruszkewycz, Damian P.; Balcells, David; Guard, Louise M.; Hazari, Nilay; Tilset, Mats","Insight into the efficiency of cinnamyl-supported precatalysts for the suzuki-miyaura reaction: observation of pd(i) dimers with bridging allyl ligands during catalysis.","Journal of the American Chemical Society","2014","136","20","7300","7316","10.1021/ja412565c","","","1.54178","CuKα","","0.0349","0.0349","","","0.0821","0.0821","","","","","","1.207","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121811","12.1146","0.0002","24.5603","0.0004","20.2741","0.0014","90","","103.307","0.007","90","","5870.4","0.5","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H81 Cl N4 Pd2 -","- C63 H81 Cl N4 Pd2 -","- C252 H324 Cl4 N16 Pd8 -","4","1","","Hruszkewycz, Damian P.; Balcells, David; Guard, Louise M.; Hazari, Nilay; Tilset, Mats","Insight into the efficiency of cinnamyl-supported precatalysts for the suzuki-miyaura reaction: observation of pd(i) dimers with bridging allyl ligands during catalysis.","Journal of the American Chemical Society","2014","136","20","7300","7316","10.1021/ja412565c","","","1.54187","CuKα","","0.0677","0.0591","","","0.1542","0.1603","","","","","","1.081","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121812","8.218","0.0016","9.691","0.0019","18.377","0.004","101.24","0.03","92.31","0.03","110.51","0.03","1335.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Ca Cl2 N2 O15 -","- C18 H30 Ca Cl2 N2 O15 -","- C36 H60 Ca2 Cl4 N4 O30 -","2","1","","Howe, Ethan N. W.; Bhadbhade, Mohan; Thordarson, Pall","Cooperativity and complexity in the binding of anions and cations to a tetratopic ion-pair host.","Journal of the American Chemical Society","2014","136","20","7505","7516","10.1021/ja503383e","","","0.71073","Synchrotron","","0.0914","0.0766","","","0.1918","0.2033","","","","","","1.031","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121813","14.429","0.003","28.69","0.006","8.52","0.0017","90","","90","","90","","3527","1.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H52 N4 O10 -","- C36 H52 N4 O10 -","- C144 H208 N16 O40 -","4","0.5","","Howe, Ethan N. W.; Bhadbhade, Mohan; Thordarson, Pall","Cooperativity and complexity in the binding of anions and cations to a tetratopic ion-pair host.","Journal of the American Chemical Society","2014","136","20","7505","7516","10.1021/ja503383e","","","0.71085","Synchrotron","","0.0551","0.0519","","","0.1323","0.1354","","","","","","1.064","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121814","25.2432","0.0006","25.2432","0.0006","11.6336","0.0003","90","","90","","120","","6420","0.3","100","0.2","100","0.2","","","","","","","","4","P -3","-P 3","147","","","","- C84 H54 O14 Zn4 -","- C84 H54 O13.9999 Zn4 -","- C168 H108 O27.9998 Zn8 -","2","0.333333","","Zhang, Mei; Feng, Guangxue; Song, Zhegang; Zhou, Yu-Peng; Chao, Hsiu-Yi; Yuan, Daqiang; Tan, Tristan T. Y.; Guo, Zhengang; Hu, Zhigang; Tang, Ben Zhong; Liu, Bin; Zhao, Dan","Two-dimensional metal-organic framework with wide channels and responsive turn-on fluorescence for the chemical sensing of volatile organic compounds.","Journal of the American Chemical Society","2014","136","20","7241","7244","10.1021/ja502643p","","","1.54184","CuKα","","0.0819","0.0723","","","0.1986","0.2077","","","","","","1.108","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121815","25.2435","0.0014","25.2435","0.0014","11.6675","0.0006","90","","90","","120","","6438.8","0.6","100","0.2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C84 H54 O13 Zn4 -","- C84 H54 O13 Zn4 -","- C168 H108 O26 Zn8 -","2","0.333333","","Zhang, Mei; Feng, Guangxue; Song, Zhegang; Zhou, Yu-Peng; Chao, Hsiu-Yi; Yuan, Daqiang; Tan, Tristan T. Y.; Guo, Zhengang; Hu, Zhigang; Tang, Ben Zhong; Liu, Bin; Zhao, Dan","Two-dimensional metal-organic framework with wide channels and responsive turn-on fluorescence for the chemical sensing of volatile organic compounds.","Journal of the American Chemical Society","2014","136","20","7241","7244","10.1021/ja502643p","","","1.54184","CuKα","","0.1327","0.0949","","","0.24","0.2752","","","","","","0.923","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121816","9.8296","0.0004","12.6283","0.0006","18.9578","0.0008","71.769","0.004","86.991","0.004","88.723","0.004","2232","0.18","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","2","","Zhang, Mei; Feng, Guangxue; Song, Zhegang; Zhou, Yu-Peng; Chao, Hsiu-Yi; Yuan, Daqiang; Tan, Tristan T. Y.; Guo, Zhengang; Hu, Zhigang; Tang, Ben Zhong; Liu, Bin; Zhao, Dan","Two-dimensional metal-organic framework with wide channels and responsive turn-on fluorescence for the chemical sensing of volatile organic compounds.","Journal of the American Chemical Society","2014","136","20","7241","7244","10.1021/ja502643p","","","1.54184","CuKα","","0.0508","0.0397","","","0.1019","0.1081","","","","","","1.074","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4121817","11.7625","0.0003","12.8916","0.0003","18.7532","0.0004","97.595","0.002","106.386","0.001","95.691","0.002","2676.27","0.11","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H78 Si2 -","- C64 H78 Si2 -","- C128 H156 Si4 -","2","1","","Zhang, Lei; Fonari, Alexandr; Liu, Yao; Hoyt, Andra-Lisa M; Lee, Hyunbok; Granger, Devin; Parkin, Sean; Russell, Thomas P.; Anthony, John E.; Brédas, Jean-Luc; Coropceanu, Veaceslav; Briseno, Alejandro L.","Bistetracene: an air-stable, high-mobility organic semiconductor with extended conjugation.","Journal of the American Chemical Society","2014","136","26","9248","9251","10.1021/ja503643s","","","1.54178","CuKα","","0.0881","0.0521","","","0.1407","0.1608","","","","","","1.034","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121818","8.9841","0.0011","9.7368","0.0016","13.51","0.002","75.34","0.014","70.337","0.013","90.051","0.014","1071.8","0.3","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H58 Si2 -","- C54 H58 Si2 -","- C54 H58 Si2 -","1","0.5","","Zhang, Lei; Fonari, Alexandr; Liu, Yao; Hoyt, Andra-Lisa M; Lee, Hyunbok; Granger, Devin; Parkin, Sean; Russell, Thomas P.; Anthony, John E.; Brédas, Jean-Luc; Coropceanu, Veaceslav; Briseno, Alejandro L.","Bistetracene: an air-stable, high-mobility organic semiconductor with extended conjugation.","Journal of the American Chemical Society","2014","136","26","9248","9251","10.1021/ja503643s","","","1.54178","CuKα","","0.132","0.1053","","","0.2322","0.2496","","","","","","1.083","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121819","10.8998","0.0011","12.7903","0.0013","30.046","0.003","90","","94.529","0.005","90","","4175.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 Fe N O4 P2 S3 -","- C44 H44 Fe N O4 P2 S3 -","- C176 H176 Fe4 N4 O16 P8 S12 -","4","1","","Fitzpatrick, Jessica; Kalyvas, Harris; Filipovic, Milos R.; Ivanović-Burmazović, Ivana; MacDonald, John C.; Shearer, Jason; Kim, Eunsuk","Transformation of a Mononitrosyl Iron Complex to a [2Fe-2S] Cluster by a Cysteine Analogue.","Journal of the American Chemical Society","2014","136","20","7229","7232","10.1021/ja5024207","","","0.71073","MoKα","","0.081","0.0469","","","0.1116","0.1314","","","","","","1.075","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121820","8.0616","0.0006","10.096","0.0009","10.8105","0.001","112.019","0.009","99.514","0.007","101.435","0.007","771.2","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 B F2 O4 -","- C17 H15 B F2 O4 -","- C34 H30 B2 F4 O8 -","2","1","","Galer, Petra; Korošec, Romana C; Vidmar, Maja; Sket, Boris","Crystal Structures and Emission Properties of the BF2 Complex 1-Phenyl-3-(3,5-dimethoxyphenyl)-propane-1,3-dione: Multiple Chromisms, Aggregation- or Crystallization-Induced Emission, and the Self-Assembly Effect.","Journal of the American Chemical Society","2014","136","20","7383","7394","10.1021/ja501977a","","","0.71073","MoKα","","0.1911","0.0768","","","0.1482","0.1982","","","","","","1.022","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121821","7.4698","0.0002","7.484","0.0003","14.4041","0.0005","75.349","0.002","88.759","0.002","85.077","0.002","776.19","0.05","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 B F2 O4 -","- C17 H15 B F2 O4 -","- C34 H30 B2 F4 O8 -","2","1","","Galer, Petra; Korošec, Romana C; Vidmar, Maja; Sket, Boris","Crystal Structures and Emission Properties of the BF2 Complex 1-Phenyl-3-(3,5-dimethoxyphenyl)-propane-1,3-dione: Multiple Chromisms, Aggregation- or Crystallization-Induced Emission, and the Self-Assembly Effect.","Journal of the American Chemical Society","2014","136","20","7383","7394","10.1021/ja501977a","","","0.71073","MoKα","","0.076","0.0548","","","0.1441","0.1734","","","","","","1.119","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121822","14.763","0.005","14.763","0.005","14.763","0.005","90","0.005","90","0.005","90","0.005","3217.5","1.9","10","","10","","","","","","","","synthesis as described","2","P 21 3","P 2ac 2ab 3","198","","","","- Na7.5 Si34 -","- Na7.701 Si34 -","- Na30.804 Si136 -","4","0.333333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","","0.71069","MoKα","","0.0391","0.0373","","","0.0813","0.0826","","","","","","1.087","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121823","14.7679","0.0003","14.7679","0.0003","14.7679","0.0003","90","","90","","90","","3220.74","0.11","90","","90","","","","","","","","synthesis as described","2","P 21 3","P 2ac 2ab 3","198","","","","- Na7.5 Si34 -","- Na7.57 Si34 -","- Na30.28 Si136 -","4","0.333333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","x-ray","0.71069","MoKα","","0.0422","0.0345","","","0.0791","0.0873","","","","","","1.137","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121824","10.2004","0.0004","10.2004","0.0004","10.2004","0.0004","90","","90","","90","","1061.33","0.07","293","","293","","","","","","","","synthesis as described","2","P m -3 n","-P 4n 2 3","223","","","","- Na4 Si23 -","- Na4 Si23 -","- Na8 Si46 -","2","0.0416667","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","x-ray","0.71069","MoKα","","0.0316","0.0282","","","0.0755","0.0781","","","","","","1.053","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121825","14.6469","0.0007","14.6469","0.0007","14.6469","0.0007","90","","90","","90","","3142.2","0.3","293","","293","","","","","","","","synthesis as described","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na1.4 Si34 -","- Na1.636 Si34 -","- Na6.544 Si136 -","4","0.0208333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","x-ray","0.71069","MoKα","","0.0214","0.0208","","","0.0546","0.0549","","","","","","1.241","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121826","14.7956","0.0012","14.7956","0.0012","14.7956","0.0012","90","","90","","90","","3238.9","0.5","293","","293","","","","","","","","synthesis as described","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na7.5 Si34 -","- Na7.416 Si34 -","- Na29.664 Si136 -","4","0.0208333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","x-ray","0.71069","MoKα","","0.0132","0.0132","","","0.0374","0.0374","","","","","","1.208","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121827","14.756","0.001","14.756","0.001","14.756","0.001","90","","90","","90","","3213","0.4","293","","293","","","","","","","","synthesis as described","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na6.13 Si34 -","- Na6.124 Si34 -","- Na24.496 Si136 -","4","0.0208333","","Yamanaka, Shoji; Komatsu, Masaya; Tanaka, Masashi; Sawa, Hiroshi; Inumaru, Kei","High-Pressure Synthesis and Structural Characterization of the Type II Clathrate Compound Na30.5Si136 Encapsulating Two Sodium Atoms in the Same Silicon Polyhedral Cages.","Journal of the American Chemical Society","2014","136","21","7717","7725","10.1021/ja502733e","","x-ray","0.71069","MoKα","","0.0419","0.0418","","","0.1013","0.1015","","","","","","1.263","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121828","11.5478","0.0004","8.2653","0.0003","19.8451","0.0007","90","","96.492","0.001","90","","1881.99","0.12","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Hettiarachchi, Suraj U.; Prasai, Bijeta; McCarley, Robin L.","Detection and cellular imaging of human cancer enzyme using a turn-on, wavelength-shiftable, self-immolative profluorophore.","Journal of the American Chemical Society","2014","136","21","7575","7578","10.1021/ja5030707","","","1.54178","CuKα","","0.0379","0.0361","","","0.0974","0.0993","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121829","7.606","0.007","16.812","0.014","8.963","0.007","90","","104.019","0.004","90","","1112","1.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(NH4)2{HOOC(CH2)4COOH}[Zn2(C2O4)3](H2O)2","","","- C12 H22 N2 O18 Zn2 -","- C12 N2 O18 Zn2 -","- C24 N4 O36 Zn4 -","2","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Honda, Kyohei; Matsui, Hiroshi; Kitagawa, Hiroshi","Control of crystalline proton-conducting pathways by water-induced transformations of hydrogen-bonding networks in a metal-organic framework.","Journal of the American Chemical Society","2014","136","21","7701","7707","10.1021/ja5022014","","","0.7107","MoKα","","0.0724","0.058","","","0.167","0.202","","","","","","1.257","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121830","7.7002","0.0007","16.4928","0.001","9.1611","0.0008","90","","108.314","0.001","90","","1104.51","0.15","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(NH4)2{HOOC(CH2)4COOH}[Zn2(C2O4)3]","","","- C12 H18 N2 O16 Zn2 -","- C12 N2 O16 Zn2 -","- C24 N4 O32 Zn4 -","2","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Honda, Kyohei; Matsui, Hiroshi; Kitagawa, Hiroshi","Control of crystalline proton-conducting pathways by water-induced transformations of hydrogen-bonding networks in a metal-organic framework.","Journal of the American Chemical Society","2014","136","21","7701","7707","10.1021/ja5022014","","","0.7107","MoKα","","0.0658","0.0523","","","0.173","0.2038","","","","","","1.202","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121831","18.864","0.003","17.514","0.003","20.244","0.003","90","","99.656","0.002","90","","6593.5","1.8","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","4(Sc2@C66)/1.42(C8H10)/1.00(CS2)/0.58(C6H14)","","","- C279.84 H22.32 S2 Sc8 -","- C279.84 H22.32 S2 Sc8 -","- C559.68 H44.64 S4 Sc16 -","2","1","","Yamada, Michio; Kurihara, Hiroki; Suzuki, Mitsuaki; Guo, Jing Dong; Waelchli, Markus; Olmstead, Marilyn M.; Balch, Alan L.; Nagase, Shigeru; Maeda, Yutaka; Hasegawa, Tadashi; Lu, Xing; Akasaka, Takeshi","Sc2@C66 Revisited: An Endohedral Fullerene with Scandium Ions Nestled within Two Unsaturated Linear Triquinanes.","Journal of the American Chemical Society","2014","136","21","7611","7614","10.1021/ja5035649","","","0.71073","MoKα","","0.0687","0.0622","","","0.1562","0.1624","","","","","","1.021","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121832","7.2753","0.0001","7.7473","0.0001","22.6981","0.0004","90","","94.037","0.001","90","","1276.18","0.03","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 Br O4 -","- C30 H27 Br O4 -","- C60 H54 Br2 O8 -","2","1","","Masutomi, Koji; Noguchi, Keiichi; Tanaka, Ken","Enantioselective Cycloisomerization of 1,6-Enynes to Bicyclo[3.1.0]hexanes Catalyzed by Rhodium and Benzoic Acid.","Journal of the American Chemical Society","2014","136","21","7627","7630","10.1021/ja504048u","","","1.54187","CuKα","","0.0309","0.0297","","","0.075","0.0772","","","","","","1.042","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121833","12.5029","0.0004","15.7866","0.0005","18.7568","0.0006","76.828","0.002","84.688","0.002","73.539","0.002","3455.5","0.2","100","2","100.1","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H74 Fe N6 O7 P3 -","- C78 H64 Fe N6 O7 P3 -","- C156 H128 Fe2 N12 O14 P6 -","2","1","","Graham, Michael J.; Zadrozny, Joseph M.; Shiddiq, Muhandis; Anderson, John S.; Fataftah, Majed S.; Hill, Stephen; Freedman, Danna E.","Influence of electronic spin and spin-orbit coupling on decoherence in mononuclear transition metal complexes.","Journal of the American Chemical Society","2014","136","21","7623","7626","10.1021/ja5037397","","","0.71073","MoKα","","0.0656","0.0479","","","0.1107","0.1205","","","","","","1.02","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121834","24.7221","0.0009","15.0978","0.0006","25.3767","0.0013","90","","114.465","0.001","90","","8621.4","0.6","100","2","100.09","","","","","","","","","6","C 1 c 1","C -2yc","9","","tris(tetraphenylphosphonium) hexacyanoruthenate(III)","","- C84 H68.68 Cl15.32 N6 P3 Ru -","- C84 H67 Cl15.322 N6 P3 Ru -","- C336 H268 Cl61.288 N24 P12 Ru4 -","4","1","","Graham, Michael J.; Zadrozny, Joseph M.; Shiddiq, Muhandis; Anderson, John S.; Fataftah, Majed S.; Hill, Stephen; Freedman, Danna E.","Influence of electronic spin and spin-orbit coupling on decoherence in mononuclear transition metal complexes.","Journal of the American Chemical Society","2014","136","21","7623","7626","10.1021/ja5037397","","","0.71073","MoKα","","0.046","0.0403","","","0.0947","0.0985","","","","","","1.027","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121835","9.6496","0.0004","15.8469","0.0007","17.6621","0.0007","90","","101.402","0.001","90","","2647.52","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Au F5 I P -","- C25 H36 Au F5 I P -","- C100 H144 Au4 F20 I4 P4 -","4","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.0177","0.0175","","","0.0424","0.0425","","","","","","1.172","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121836","18.0923","0.0009","14.9606","0.0007","20.1354","0.0011","90","","107.34","0.002","90","","5202.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Au F3 I P -","- C25 H38 Au F3 I P -","- C200 H304 Au8 F24 I8 P8 -","8","2","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.0236","0.0194","","","0.0377","0.0388","","","","","","1.02","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121837","10.2268","0.0005","14.9875","0.0008","18.2383","0.0009","90","","90","","90","","2795.5","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Au Cl4 F P -","- C25 H39 Au Cl4 F P -","- C100 H156 Au4 Cl16 F4 P4 -","4","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.022","0.0208","","","0.0447","0.0454","","","","","","1.066","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121838","11.3296","0.0018","16.648","0.003","14.015","0.002","90","","92.676","0.007","90","","2640.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Au F3 I P -","- C26 H22 Au F3 I P -","- C104 H88 Au4 F12 I4 P4 -","4","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.021","0.0189","","","0.0454","0.0465","","","","","","1.063","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121839","10.0238","0.0006","11.7238","0.0007","12.1838","0.0008","90","","111.701","0.002","90","","1330.33","0.14","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H21 Au Cl2 F4 I P -","- C26 H21 Au Cl2 F4 I P -","- C52 H42 Au2 Cl4 F8 I2 P2 -","2","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.0135","0.0134","","","0.032","0.0321","","","","","","1.087","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121840","11.5448","0.0004","18.1771","0.0006","14.4575","0.0005","90","","92.93","0.001","90","","3029.95","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Au Cl2 F4 I P -","- C26 H39 Au Cl2 F4 I P -","- C104 H156 Au4 Cl8 F16 I4 P4 -","4","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.0232","0.0216","","","0.0506","0.0514","","","","","","1.036","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121841","11.4612","0.0006","14.5201","0.0008","18.0799","0.001","83.48","0.001","76.161","0.001","71.195","0.001","2763.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 Au F3 I P -","- C26 H40 Au F3 I P -","- C104 H160 Au4 F12 I4 P4 -","4","2","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.0175","0.0164","","","0.0394","0.0402","","","","","","1.067","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4121842","9.261","0.002","10.71","0.002","12.461","0.003","92.783","0.004","98.275","0.004","105.007","0.004","1176.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H34 B10 Si -","- C19 H34 B10 Si -","- C38 H68 B20 Si2 -","2","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.1133","0.0831","","","0.2195","0.2453","","","","","","1.037","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121843","8.8283","0.0016","11.613","0.002","13.229","0.002","65.024","0.003","82.275","0.003","77.608","0.003","1199.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H33 B10 F Si -","- C19 H33 B10 F Si -","- C38 H66 B20 F2 Si2 -","2","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.1268","0.0838","","","0.2058","0.2337","","","","","","1.008","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121844","9.713","0.003","11.46","0.004","21.611","0.007","90","","90","","90","","2405.5","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 B10 O Si -","- C20 H36 B10 O Si -","- C80 H144 B40 O4 Si4 -","4","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.2309","0.1257","","","0.2433","0.29","","","","","","1.058","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121845","9.6641","0.0008","11.7306","0.0009","21.7302","0.0018","90","","90","","90","","2463.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 B10 O Si -","- C20 H36 B10 O Si -","- C80 H144 B40 O4 Si4 -","4","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.077","0.0711","","","0.1834","0.1899","","","","","","1.044","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121846","21.774","0.002","7.5041","0.0008","25.787","0.003","90","","98.332","0.002","90","","4169","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H26 B10 Si -","- C15 H26 B10 Si -","- C120 H208 B80 Si8 -","8","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.1085","0.0731","","","0.1968","0.2266","","","","","","1.063","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121847","24.5147","0.0017","7.0276","0.0005","17.2539","0.0014","90","","110.603","0.005","90","","2782.4","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 B10 -","- C10 H16 B10 -","- C80 H128 B80 -","8","2","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.1326","0.0915","","","0.2182","0.2663","","","","","","0.991","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121848","7.0536","0.0003","16.9061","0.0006","30.9575","0.0012","90","","90","","90","","3691.6","0.2","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 N2 O2 -","- C42 H54 N2 O2 -","- C168 H216 N8 O8 -","4","1","","Xu, Jin-Biao; Zhang, Hua; Gan, Li-She; Han, Ying-Shan; Wainberg, Mark A.; Yue, Jian-Min","Logeracemin A, an Anti-HIV Daphniphyllum Alkaloid Dimer with a New Carbon Skeleton from Daphniphyllum longeracemosum.","Journal of the American Chemical Society","2014","136","21","7631","7633","10.1021/ja503995b","","","1.54178","CuKα","","0.0683","0.0597","","","0.1592","0.1654","","","","","","1.039","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121849","9.1758","0.0004","9.4495","0.0005","9.8699","0.0005","92.536","0.003","92.369","0.003","96.834","0.003","847.94","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","LMINC149","","","- C23 H17 Cl O -","- C23 H17 Cl O -","- C46 H34 Cl2 O2 -","2","1","","Seoane, Andrés; Casanova, Noelia; Quiñones, Noelia; Mascareñas, José L; Gulías, Moisés","Rhodium(III)-Catalyzed Dearomatizing (3 + 2) Annulation of 2-Alkenylphenols and Alkynes.","Journal of the American Chemical Society","2014","136","21","7607","7610","10.1021/ja5034952","","x-ray","0.71073","MoKα","","0.0731","0.0478","","","0.1133","0.1233","","","","","","1.065","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121850","8.9445","0.0004","9.4308","0.0004","9.857","0.0004","91.995","0.002","91.74","0.002","101.456","0.002","813.83","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","lm1ac407f4","","","- C23 H18 O -","- C23 H18 O -","- C46 H36 O2 -","2","1","","Seoane, Andrés; Casanova, Noelia; Quiñones, Noelia; Mascareñas, José L; Gulías, Moisés","Rhodium(III)-Catalyzed Dearomatizing (3 + 2) Annulation of 2-Alkenylphenols and Alkynes.","Journal of the American Chemical Society","2014","136","21","7607","7610","10.1021/ja5034952","","x-ray","0.71073","MoKα","","0.05","0.0416","","","0.119","0.1253","","","","","","1.054","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121851","10.3833","0.0011","7.9614","0.0008","11.2213","0.0012","90","","106.41","0.004","90","","889.83","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","141F2","","","- C23 H17 Br O -","- C23 H17 Br O -","- C46 H34 Br2 O2 -","2","1","","Seoane, Andrés; Casanova, Noelia; Quiñones, Noelia; Mascareñas, José L; Gulías, Moisés","Rhodium(III)-Catalyzed Dearomatizing (3 + 2) Annulation of 2-Alkenylphenols and Alkynes.","Journal of the American Chemical Society","2014","136","21","7607","7610","10.1021/ja5034952","","x-ray","0.71073","MoKα","","0.0586","0.0394","","","0.0694","0.0744","","","","","","1.048","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121852","8.5521","0.0002","8.5649","0.0003","15.8893","0.0005","90","","103.684","0.0014","90","","1130.82","0.06","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H20 F4 N2 O2 -","- C26 H20 F4 N2 O2 -","- C52 H40 F8 N4 O4 -","2","1","","Xiao, Kai-Jiong; Lin, David W.; Miura, Motofumi; Zhu, Ru-Yi; Gong, Wei; Wasa, Masayuki; Yu, Jin-Quan","Palladium(II)-Catalyzed Enantioselective C(sp(3))-H Activation Using a Chiral Hydroxamic Acid Ligand.","Journal of the American Chemical Society","2014","136","22","8138","","10.1021/ja504196j","","x-ray","1.54178","CuKα","","0.0265","0.0253","","","0.0637","0.0645","","","","","","1.019","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121853","21.125","0.003","8.114","0.0012","10.7158","0.0016","90","","90","","90","","1836.8","0.5","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H22 N3 O -","- C22 H22 N3 O -","- C88 H88 N12 O4 -","4","1","","Li, Liangchun; Matsuda, Ryotaro; Tanaka, Iku; Sato, Hiroshi; Kanoo, Prakash; Jeon, Hyung Joon; Foo, Maw Lin; Wakamiya, Atsushi; Murata, Yasujiro; Kitagawa, Susumu","A crystalline porous coordination polymer decorated with nitroxyl radicals catalyzes aerobic oxidation of alcohols.","Journal of the American Chemical Society","2014","136","21","7543","7546","10.1021/ja5019095","","","0.71073","MoKα","","","0.0784","","","","0.1751","","","","","","1.149","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121854","21.682","0.011","21.682","0.011","15.696","0.008","90","","90","","90","","7379","6","100","","100","2","","","","","","","","7","I 4 c m","I 4 -2c","108","FRPCP","","","- C44 H44 Cu F6 N6 O6 Si -","- C44 H44 Cu F6 N6 O6 Si -","- C176 H176 Cu4 F24 N24 O24 Si4 -","4","0.25","","Li, Liangchun; Matsuda, Ryotaro; Tanaka, Iku; Sato, Hiroshi; Kanoo, Prakash; Jeon, Hyung Joon; Foo, Maw Lin; Wakamiya, Atsushi; Murata, Yasujiro; Kitagawa, Susumu","A crystalline porous coordination polymer decorated with nitroxyl radicals catalyzes aerobic oxidation of alcohols.","Journal of the American Chemical Society","2014","136","21","7543","7546","10.1021/ja5019095","","","0.71073","MoKα","","0.1333","0.1145","","","0.2258","0.2378","","","","","","1.067","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121855","17.1764","0.0004","20.7259","0.0006","23.1192","0.0005","67.465","0.002","76.759","0.002","73.217","0.002","7212.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- Ge6 H186 K22 Na10 O337 W56 Zr24 -","- Ge6 K22 Na10 O298 W56 Zr24 -","- Ge6 K22 Na10 O298 W56 Zr24 -","1","0.5","","Huang, Ling; Wang, Sa-Sa; Zhao, Jun-Wei; Cheng, Lin; Yang, Guo-Yu","Synergistic Combination of Multi-Zr(IV) Cations and Lacunary Keggin Germanotungstates Leading to a Gigantic Zr24-Cluster-Substituted Polyoxometalate.","Journal of the American Chemical Society","2014","136","21","7637","7642","10.1021/ja413134w","","","0.71073","MoKα","","0.0635","0.0498","","","0.1222","0.1311","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121856","26.7977","0.0013","26.7977","0.0013","26.7977","0.0013","90","","90","","90","","19243.9","1.6","143","1","143","1","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C75 H78 La N9 O6 -","- C75 H78 La N9 O6 -","- C600 H624 La8 N72 O48 -","8","0.333333","","Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.","Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","22","8034","","10.1021/ja502568g","","","0.71073","MoKα","","0.0294","0.027","","","0.072","0.073","","","","","","1.038","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121857","23.8149","0.0017","36.254","0.003","36.328","0.003","90","","90","","90","","31365","4","143","1","143","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C77 H82 Eu N9 O6.5 -","- C77 H82 Eu N9 O6.5 -","- C1232 H1312 Eu16 N144 O104 -","16","2","","Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.","Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","22","8034","","10.1021/ja502568g","","","0.71073","MoKα","","0.0636","0.0527","","","0.1396","0.1451","","","","","","1.031","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121858","26.5809","0.0008","26.5809","0.0008","26.5809","0.0008","90","","90","","90","","18780.6","1","143","1","143","1","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C75 H78 N9 O6 Y -","- C75 H78 N9 O6 Y -","- C600 H624 N72 O48 Y8 -","8","0.333333","","Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.","Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","22","8034","","10.1021/ja502568g","","","0.71073","MoKα","","0.052","0.0479","","","0.1349","0.1381","","","","","","1.051","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121859","26.5542","0.001","26.5542","0.001","26.5542","0.001","90","","90","","90","","18724","1.2","100","1","100","1","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C78 H84 Cl6 N9 O6 Yb -","- C78 H84 Cl6 N9 O6 Yb -","- C624 H672 Cl48 N72 O48 Yb8 -","8","0.333333","","Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.","Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","22","8034","","10.1021/ja502568g","","","0.71073","MoKα","","0.0455","0.0429","","","0.121","0.1249","","","","","","0.792","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121860","12.0552","0.0001","12.9575","0.0002","15.4825","0.0002","88.091","0.001","80.782","0.001","72.288","0.001","2273.75","0.05","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H43 Cl5 N4 O2 P2 Pt -","- C46 H39 Cl4.9996 N4 O2 P2 Pt -","- C92 H78 Cl9.9992 N8 O4 P4 Pt2 -","2","1","","Brackemeyer, Dirk; Hervé, Alexandre; Schulte To Brinke, Christian; Jahnke, Mareike C.; Hahn, F. Ekkehardt","A Versatile Methodology for the Regioselective C(8)-Metalation of Purine Bases.","Journal of the American Chemical Society","2014","136","22","7841","","10.1021/ja5030904","","","0.71073","MoKα","","0.0359","0.0297","","","0.0708","0.0735","","","","","","1.024","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121861","14.2612","0.0006","10.4367","0.0005","28.5791","0.0013","90","","93.188","0.001","90","","4247.1","0.3","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C44 H41 B Cl F4 N4 O2.5 P2 Pt -","- C44 H40 B Cl F4 N4 O2.5 P2 Pt -","- C176 H160 B4 Cl4 F16 N16 O10 P8 Pt4 -","4","1","","Brackemeyer, Dirk; Hervé, Alexandre; Schulte To Brinke, Christian; Jahnke, Mareike C.; Hahn, F. Ekkehardt","A Versatile Methodology for the Regioselective C(8)-Metalation of Purine Bases.","Journal of the American Chemical Society","2014","136","22","7841","","10.1021/ja5030904","","","0.71073","MoKα","","0.0434","0.0298","","","0.0646","0.0689","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121862","20.0652","0.0008","11.9643","0.0005","21.7399","0.0009","90","","113.106","0.002","90","","4800.3","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Br N5 P2 Pt -","- C54 H48 Br N5 P2 Pt -","- C216 H192 Br4 N20 P8 Pt4 -","4","1","","Brackemeyer, Dirk; Hervé, Alexandre; Schulte To Brinke, Christian; Jahnke, Mareike C.; Hahn, F. Ekkehardt","A Versatile Methodology for the Regioselective C(8)-Metalation of Purine Bases.","Journal of the American Chemical Society","2014","136","22","7841","","10.1021/ja5030904","","","0.71073","MoKα","","0.0314","0.0268","","","0.0729","0.0753","","","","","","1.012","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121863","10.4325","0.0003","20.1777","0.0007","20.2332","0.0006","89.468","0.002","85.019","0.002","85.419","0.002","4229.5","0.2","153","2","153","2","","","","","","","","9","P -1","-P 1","2","","","","- C42.5 H38 B Br Cl F4 N5 P2 Pt -","- C42.5 H37 B Br Cl F4 N5 P2 Pt -","- C170 H148 B4 Br4 Cl4 F16 N20 P8 Pt4 -","4","2","","Brackemeyer, Dirk; Hervé, Alexandre; Schulte To Brinke, Christian; Jahnke, Mareike C.; Hahn, F. Ekkehardt","A Versatile Methodology for the Regioselective C(8)-Metalation of Purine Bases.","Journal of the American Chemical Society","2014","136","22","7841","","10.1021/ja5030904","","","0.71073","MoKα","","0.0807","0.0483","","","0.1101","0.1218","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121864","12.5506","0.0003","12.9933","0.0003","16.7384","0.0004","107.063","0.0013","98.5557","0.0014","112.121","0.0013","2311.45","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H64 Gd2 K2 O4 -","- C48 H64 Gd2 K2 O4 -","- C96 H128 Gd4 K4 O8 -","2","1","","Le Roy, Jennifer J.; Ungur, Liviu; Korobkov, Ilia; Chibotaru, Liviu F.; Murugesu, Muralee","Coupling Strategies to Enhance Single-Molecule Magnet Properties of Erbium-Cyclooctatetraenyl Complexes.","Journal of the American Chemical Society","2014","136","22","8003","","10.1021/ja5022552","","","0.71073","MoKα","","0.0723","0.0409","","","0.0826","0.0948","","","","","","1.034","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121865","16.862","0.0004","16.862","0.0004","20.2149","0.0005","90","","90","","90","","5747.6","0.2","200","2","200","2","","","","","","","","4","I -4","I -4","82","","","","- C21 H36 Er Si3 -","- C21 H36 Er Si3 -","- C168 H288 Er8 Si24 -","8","1","","Le Roy, Jennifer J.; Ungur, Liviu; Korobkov, Ilia; Chibotaru, Liviu F.; Murugesu, Muralee","Coupling Strategies to Enhance Single-Molecule Magnet Properties of Erbium-Cyclooctatetraenyl Complexes.","Journal of the American Chemical Society","2014","136","22","8003","","10.1021/ja5022552","","","0.71073","MoKα","","0.0346","0.0277","","","0.063","0.0658","","","","","","1.012","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121866","12.4865","0.001","12.8999","0.001","16.7853","0.0015","107.25","0.002","98.705","0.002","111.302","0.002","2301.4","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H64 Er2 K2 O4 -","- C48 H64 Er2 K2 O4 -","- C96 H128 Er4 K4 O8 -","2","1","","Le Roy, Jennifer J.; Ungur, Liviu; Korobkov, Ilia; Chibotaru, Liviu F.; Murugesu, Muralee","Coupling Strategies to Enhance Single-Molecule Magnet Properties of Erbium-Cyclooctatetraenyl Complexes.","Journal of the American Chemical Society","2014","136","22","8003","","10.1021/ja5022552","","","0.71073","MoKα","","0.1665","0.0837","","","0.1559","0.1864","","","","","","1.046","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121867","8.5164","0.0003","11.9772","0.0004","9.0562","0.0003","90","","90","","90","","923.76","0.05","293","0.14","293","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0264","0.021","","","0.0549","0.0586","","","","","","1.057","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121868","8.761","0.0003","12.3507","0.0004","8.8118","0.0003","90","","90","","90","","953.48","0.06","413","0.14","413","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H9 Mn N O6 -","- C24 H36 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.1043","0.0693","","","0.2004","0.2363","","","","","","1.131","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121869","8.5303","0.0003","11.9918","0.0004","9.0531","0.0003","90","","90","","90","","926.07","0.05","333","0.14","333","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0285","0.0224","","","0.0572","0.0606","","","","","","1.075","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121870","8.5389","0.0003","11.9989","0.0004","9.0517","0.0003","90","","90","","90","","927.41","0.05","353","0.14","353","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0287","0.0219","","","0.0544","0.0599","","","","","","1.08","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121871","8.5471","0.0003","12.0046","0.0004","9.0496","0.0003","90","","90","","90","","928.53","0.05","373","0.14","373","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0299","0.0227","","","0.0595","0.0656","","","","","","1.043","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121872","8.711","0.0003","12.3162","0.0004","8.8734","0.0003","90","","90","","90","","952","0.06","333","0.14","333","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0639","0.0423","","","0.1154","0.1299","","","","","","1.159","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121873","8.522","0.0003","11.9877","0.0004","9.054","0.0003","90","","90","","90","","924.95","0.05","313","0.14","313","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.028","0.0228","","","0.0576","0.0615","","","","","","1.063","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121874","8.5611","0.0003","12.0204","0.0004","9.0426","0.0003","90","","90","","90","","930.55","0.05","413","0.14","413","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0321","0.0245","","","0.0645","0.0702","","","","","","1.088","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121875","8.5538","0.0003","12.0096","0.0004","9.0457","0.0003","90","","90","","90","","929.24","0.05","393","0.14","393","0.14","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mn N3 O6 -","- C4 H9 Mn N3 O6 -","- C16 H36 Mn4 N12 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0313","0.0237","","","0.0607","0.0663","","","","","","1.053","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121876","8.7233","0.0003","12.3247","0.0004","8.8668","0.0003","90","","90","","90","","953.29","0.06","354","9","354","9","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0683","0.0445","","","0.1105","0.1316","","","","","","1.139","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121877","8.7515","0.0003","12.3472","0.0004","8.8346","0.0003","90","","90","","90","","954.64","0.06","393","0.14","393","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H9 Mn N O6 -","- C24 H36 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0787","0.0543","","","0.1516","0.1703","","","","","","1.17","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121878","8.7393","0.0003","12.3416","0.0004","8.8576","0.0003","90","","90","","90","","955.35","0.06","373","0.14","373","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0737","0.0496","","","0.1324","0.1522","","","","","","1.122","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121879","8.6939","0.0003","12.3048","0.0004","8.8768","0.0003","90","","90","","90","","949.61","0.06","293","0.14","293","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0635","0.0431","","","0.1072","0.124","","","","","","1.143","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121880","8.6985","0.0003","12.3141","0.0004","8.8804","0.0003","90","","90","","90","","951.22","0.06","313","0.14","313","0.14","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H11 Mn N O6 -","- C6 H11 Mn N O6 -","- C24 H44 Mn4 N4 O24 -","4","0.5","","Li, Wei; Thirumurugan, A.; Barton, Phillip T.; Lin, Zheshuai; Henke, Sebastian; Yeung, Hamish H.-M.; Wharmby, Michael T.; Bithell, Erica G.; Howard, Christopher J.; Cheetham, Anthony K.","Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture.","Journal of the American Chemical Society","2014","136","22","7801","","10.1021/ja500618z","","","0.71073","MoKα","","0.0636","0.0426","","","0.1062","0.1219","","","","","","1.102","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121890","14.552","0.0005","14.6344","0.0005","15.0327","0.0006","67.739","0.003","88.928","0.003","65.891","0.003","2669","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C110 H90 B2 Cu2 F40 N6 O4 S2 -","- C110 H90 B2 Cu2 F40 N6 O4 S2 -","- C110 H90 B2 Cu2 F40 N6 O4 S2 -","1","0.5","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","1.54178","CuKα","","0.0324","0.0297","","","0.0763","0.0784","","","","","","1.03","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121891","14.1218","0.0003","15.1886","0.0003","15.4437","0.0003","112.681","0.002","99.1365","0.0017","108.159","0.0019","2753.21","0.12","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C109.14 H84.29 B2 Cu2 F40 N6 O5.29 S2 -","- C109.144 H84.288 B2 Cu2 F40 N6 O5.286 S2 -","- C109.144 H84.288 B2 Cu2 F40 N6 O5.286 S2 -","1","0.5","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","1.54178","CuKα","","0.0379","0.0335","","","0.0951","0.0993","","","","","","1.017","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121892","11.0119","0.0002","26.6898","0.0006","11.0783","0.0002","90","","93.1668","0.0019","90","","3251","0.11","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 Cl2 Cu N3 O11 S -","- C28 H39 Cl2 Cu N3 O11 S -","- C112 H156 Cl8 Cu4 N12 O44 S4 -","4","1","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","0.71073","MoKα","","0.0436","0.0329","","","0.0773","0.0812","","","","","","1.02","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121893","8.5031","0.0002","9.9656","0.0003","16.9854","0.0005","93.826","0.003","95.153","0.002","99.59","0.003","1408.57","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H33 Cl2 Cu N3 O10 S -","- C22 H33 Cl2 Cu N3 O10 S -","- C44 H66 Cl4 Cu2 N6 O20 S2 -","2","1","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","0.71073","MoKα","","0.031","0.0276","","","0.072","0.0733","","","","","","1.058","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121894","12.4411","0.0003","12.7513","0.0003","16.4894","0.0004","98.133","0.0018","102.843","0.0019","112.2","0.002","2286.54","0.11","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C92 H66 B2 Cu2 F40 N6 O4 S2 -","- C92 H66 B2 Cu2 F40 N6 O4 S2 -","- C92 H66 B2 Cu2 F40 N6 O4 S2 -","1","0.5","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","0.71073","MoKα","","0.0358","0.0291","","","0.0741","0.077","","","","","","1.043","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121895","10.4003","0.0005","13.2758","0.0007","13.2819","0.0007","66.056","0.005","82.033","0.004","78.063","0.004","1636.74","0.16","240","2","240","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H35 Cl2 Cu N3 O11 S -","- C26 H35 Cl2 Cu N3 O11 S -","- C52 H70 Cl4 Cu2 N6 O22 S2 -","2","1","","Kim, Sunghee; Ginsbach, Jake W.; Billah, A. Imtiaz; Siegler, Maxime A.; Moore, Cathy D.; Solomon, Edward I.; Karlin, Kenneth D.","Tuning of the Copper-Thioether Bond in Tetradentate N3S(thioether) Ligands; O-O Bond Reductive Cleavage via a [Cu(II)2(μ-1,2-peroxo)](2+)/[Cu(III)2(μ-oxo)2](2+) Equilibrium.","Journal of the American Chemical Society","2014","136","22","8063","","10.1021/ja502974c","","","1.54178","CuKα","","0.0406","0.0378","","","0.1085","0.1114","","","","","","1.058","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121896","12.004","0.002","17.666","0.003","18.152","0.003","94.322","0.003","100.559","0.003","104.961","0.003","3625.3","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H119 Br6 Fe3 N3 O4 P6 -","- C55 H119 Br6 Fe3 N3 O4 P6 -","- C110 H238 Br12 Fe6 N6 O8 P12 -","2","1","","Chakraborty, Sumit; Dai, Huiguang; Bhattacharya, Papri; Fairweather, Neil T.; Gibson, Michael S.; Krause, Jeanette A.; Guan, Hairong","Iron-Based Catalysts for the Hydrogenation of Esters to Alcohols.","Journal of the American Chemical Society","2014","136","22","7869","","10.1021/ja504034q","","","0.71073","MoKα","","0.0586","0.0322","","","0.0612","0.0691","","","","","","1.011","","","","has coordinates,has disorder","179020","2020-10-21","18:00:00",""
"4121897","8.1326","0.0001","14.0809","0.0002","19.425","0.0003","90","","91.717","0.001","90","","2223.44","0.05","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H42 B Fe N O P2 -","- C17 H42 B Fe N O P2 -","- C68 H168 B4 Fe4 N4 O4 P8 -","4","1","","Chakraborty, Sumit; Dai, Huiguang; Bhattacharya, Papri; Fairweather, Neil T.; Gibson, Michael S.; Krause, Jeanette A.; Guan, Hairong","Iron-Based Catalysts for the Hydrogenation of Esters to Alcohols.","Journal of the American Chemical Society","2014","136","22","7869","","10.1021/ja504034q","","","1.54178","CuKα","","0.0446","0.0366","","","0.0929","0.0979","","","","","","1.042","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121898","8.0654","0.0001","13.8223","0.0002","19.6272","0.0003","90","","92.051","0.001","90","","2186.69","0.05","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H38 Br Fe N O P2 -","- C17 H38 Br Fe N O P2 -","- C68 H152 Br4 Fe4 N4 O4 P8 -","4","1","","Chakraborty, Sumit; Dai, Huiguang; Bhattacharya, Papri; Fairweather, Neil T.; Gibson, Michael S.; Krause, Jeanette A.; Guan, Hairong","Iron-Based Catalysts for the Hydrogenation of Esters to Alcohols.","Journal of the American Chemical Society","2014","136","22","7869","","10.1021/ja504034q","","","1.54178","CuKα","","0.0308","0.0271","","","0.0696","0.0721","","","","","","1.035","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121899","22.989","0.003","22.989","0.003","15.763","0.003","90","","90","","120","","7214.6","1.9","258","2","258","2","","","","","","","","5","R -3 :H","-R 3","148","ZIF-7","ZIF-7","","- C14 H10 N4 O2.24 Zn -","- C14 H10 N4 O2.24 Zn -","- C252 H180 N72 O40.32 Zn18 -","18","1","","Cai, Wanxi; Lee, Taehee; Lee, Maro; Cho, Woosuk; Han, Doug-Young; Choi, Nakwon; Yip, Alex C. K.; Choi, Jungkyu","Thermal Structural Transitions and Carbon Dioxide Adsorption Properties of Zeolitic Imidazolate Framework-7 (ZIF-7).","Journal of the American Chemical Society","2014","136","22","7961","","10.1021/ja5016298","","","0.71073","MoKα","","0.1711","0.0707","","","0.1157","0.127","","","","","","1.038","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121900","41.091","0.004","41.091","0.004","41.091","0.004","90","","90","","90","","69381","12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C32 H22 Mg3 O12 -","- C32 H22 Mg3 O12 -","- C768 H528 Mg72 O288 -","24","0.125","","Liu, Tian-Fu; Zou, Lanfang; Feng, Dawei; Chen, Ying-Pin; Fordham, Stephen; Wang, Xuan; Liu, Yangyang; Zhou, Hong-Cai","Stepwise Synthesis of Robust Metal-Organic Frameworks via Postsynthetic Metathesis and Oxidation of Metal Nodes in a Single-Crystal to Single-Crystal Transformation.","Journal of the American Chemical Society","2014","136","22","7813","","10.1021/ja5023283","","","0.71073","MoKα","","0.2548","0.1993","","","0.2995","0.332","","","","","","1.009","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121901","40.77","0.04","40.77","0.04","40.77","0.04","90","","90","","90","","67768","12","110","2","110","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C32 H25 Fe3 O12 -","- C32 H25 Fe3 O12 -","- C768 H600 Fe72 O288 -","24","0.125","","Liu, Tian-Fu; Zou, Lanfang; Feng, Dawei; Chen, Ying-Pin; Fordham, Stephen; Wang, Xuan; Liu, Yangyang; Zhou, Hong-Cai","Stepwise Synthesis of Robust Metal-Organic Frameworks via Postsynthetic Metathesis and Oxidation of Metal Nodes in a Single-Crystal to Single-Crystal Transformation.","Journal of the American Chemical Society","2014","136","22","7813","","10.1021/ja5023283","","","0.71073","MoKα","","0.2673","0.1289","","","0.2529","0.3099","","","","","","1.007","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121902","40.881","0.008","40.881","0.008","40.881","0.008","90","","90","","90","","68323","2","110","2","110","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C32 H25 Cr3 N0 O12 -","- C32 H29 Cr3 O11 -","- C768 H696 Cr72 O264 -","24","0.125","","Liu, Tian-Fu; Zou, Lanfang; Feng, Dawei; Chen, Ying-Pin; Fordham, Stephen; Wang, Xuan; Liu, Yangyang; Zhou, Hong-Cai","Stepwise Synthesis of Robust Metal-Organic Frameworks via Postsynthetic Metathesis and Oxidation of Metal Nodes in a Single-Crystal to Single-Crystal Transformation.","Journal of the American Chemical Society","2014","136","22","7813","","10.1021/ja5023283","","","0.71073","MoKα","","0.3268","0.1795","","","0.3935","0.4368","","","","","","1.914","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121903","12.7335","0.0002","19.3738","0.0002","31.7858","0.0004","90","","90","","90","","7841.44","0.18","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H36 Cl2 Cu N4 O6 -","- C45 H36 Cl2 Cu N4 O6 -","- C360 H288 Cl16 Cu8 N32 O48 -","8","1","","Allpress, Caleb J.; Miłaczewska, Anna; Borowski, Tomasz; Bennett, Jami R.; Tierney, David L.; Arif, Atta M.; Berreau, Lisa M.","Halide-Promoted Dioxygenolysis of a Carbon-Carbon Bond by a Copper(II) Diketonate Complex.","Journal of the American Chemical Society","2014","136","22","7821","","10.1021/ja502577b","","","0.71073","MoKα","","0.0729","0.0396","","","0.0882","0.1008","","","","","","1.011","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121904","13.1354","0.0002","15.4508","0.0003","15.3363","0.0003","90","","90.3769","0.0012","90","","3112.47","0.1","150","1","150","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C31 H28 Cl4 Cu N4 O4 -","- C31 H28 Cl4 Cu N4 O4 -","- C124 H112 Cl16 Cu4 N16 O16 -","4","1","","Allpress, Caleb J.; Miłaczewska, Anna; Borowski, Tomasz; Bennett, Jami R.; Tierney, David L.; Arif, Atta M.; Berreau, Lisa M.","Halide-Promoted Dioxygenolysis of a Carbon-Carbon Bond by a Copper(II) Diketonate Complex.","Journal of the American Chemical Society","2014","136","22","7821","","10.1021/ja502577b","","","0.71073","MoKα","","0.0631","0.0394","","","0.097","0.1098","","","","","","1.017","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121905","21.104","0.003","21.104","0.003","21.104","0.003","90","","90","","90","","9399","2","110","2","110","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","PCN-94","","","- C162 H96 O32 Zr6 -","- C162 H96 O32 Zr6 -","- C162 H96 O32 Zr6 -","1","0.0208333","","Wei, Zhangwen; Gu, Zhi-Yuan; Arvapally, Ravi K.; Chen, Ying-Pin; McDougald, Jr, Roy N; Ivy, Joshua F.; Yakovenko, Andrey A.; Feng, Dawei; Omary, Mohammad A.; Zhou, Hong-Cai","Rigidifying fluorescent linkers by metal-organic framework formation for fluorescence blue shift and quantum yield enhancement.","Journal of the American Chemical Society","2014","136","23","8269","8276","10.1021/ja5006866","","","0.71073","MoKα","","0.1352","0.1188","","","0.2496","0.2605","","","","","","1.006","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121906","20.588","0.006","78.02","0.02","8.621","0.002","90","","90","","90","","13848","6","110","2","110","2","","","","","","","","4","F d d 2","F 2 -2d","43","H4ETTC","4',4''',4''''',4'''''''-(ethene-1,1,2,2-tetrayl)tetrakis(([1,1'-biphenyl] -4-carboxylic acid))","","- C72 H78 N6 O14 -","- C72 H78 N6 O14 -","- C576 H624 N48 O112 -","8","0.5","","Wei, Zhangwen; Gu, Zhi-Yuan; Arvapally, Ravi K.; Chen, Ying-Pin; McDougald, Jr, Roy N; Ivy, Joshua F.; Yakovenko, Andrey A.; Feng, Dawei; Omary, Mohammad A.; Zhou, Hong-Cai","Rigidifying fluorescent linkers by metal-organic framework formation for fluorescence blue shift and quantum yield enhancement.","Journal of the American Chemical Society","2014","136","23","8269","8276","10.1021/ja5006866","","","0.71073","MoKα","","0.1806","0.1346","","","0.2929","0.3114","","","","","","1.004","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121911","14.926","0.003","12.592","0.003","7.6268","0.0016","90","","90.73","0.006","90","","1433.3","0.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 O8 -","- C36 H36 O8 -","- C72 H72 O16 -","2","0.25","","Gonzalez-de-Castro, Angela; Robertson, Craig M.; Xiao, Jianliang","Dehydrogenative α-Oxygenation of Ethers with an Iron Catalyst.","Journal of the American Chemical Society","2014","136","23","8350","8360","10.1021/ja502167h","","","0.71073","MoKα","","0.0446","0.0373","","","0.089","0.095","","","","","","1.033","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121912","10.984","0.0008","10.984","0.0008","52.464","0.004","90","","90","","90","","6329.7","0.8","100","","100","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C61 H67 F6 Fe N5 O11 S4 -","- C61 H67 F6 Fe N5 O11 S4 -","- C244 H268 F24 Fe4 N20 O44 S16 -","4","0.5","","Gonzalez-de-Castro, Angela; Robertson, Craig M.; Xiao, Jianliang","Dehydrogenative α-Oxygenation of Ethers with an Iron Catalyst.","Journal of the American Chemical Society","2014","136","23","8350","8360","10.1021/ja502167h","","","0.71073","MoKα","","0.0411","0.0395","","","0.0976","0.0985","","","","","","1.186","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121913","15.852","0.003","4.277","0.0008","21.043","0.004","90","","103.334","0.005","90","","1388.2","0.5","100","","100","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","0.5","","Gonzalez-de-Castro, Angela; Robertson, Craig M.; Xiao, Jianliang","Dehydrogenative α-Oxygenation of Ethers with an Iron Catalyst.","Journal of the American Chemical Society","2014","136","23","8350","8360","10.1021/ja502167h","","","0.71073","MoKα","","0.0389","0.0359","","","0.0911","0.0937","","","","","","1.059","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121914","7.2839","0.0014","7.6923","0.0015","26.517","0.005","90","","90.255","0.003","90","","1485.7","0.5","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 O8 -","- C36 H36 O8 -","- C72 H72 O16 -","2","0.5","","Gonzalez-de-Castro, Angela; Robertson, Craig M.; Xiao, Jianliang","Dehydrogenative α-Oxygenation of Ethers with an Iron Catalyst.","Journal of the American Chemical Society","2014","136","23","8350","8360","10.1021/ja502167h","","","0.71073","MoKα","","0.0573","0.0458","","","0.1082","0.1153","","","","","","1.022","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121915","9.9202","0.0005","11.6625","0.0006","15.0194","0.0008","111.87","0.003","97.172","0.003","103.982","0.003","1519.64","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20.65 N O5.32 -","- C15 H15 N O5.332 -","- C60 H60 N4 O21.328 -","4","2","","Helmy, Sameh; Leibfarth, Frank A.; Oh, Saemi; Poelma, Justin E.; Hawker, Craig J.; Read de Alaniz, Javier","Photoswitching using visible light: a new class of organic photochromic molecules.","Journal of the American Chemical Society","2014","136","23","8169","8172","10.1021/ja503016b","","","0.71073","MoKα","","0.0869","0.0666","","","0.1942","0.2084","","","","","","1.157","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121916","17.2369","0.0013","7.8216","0.0007","14.1194","0.0012","90","","104.169","0.004","90","","1845.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl2 N O5 -","- C16 H22 Cl2 N O5 -","- C64 H88 Cl8 N4 O20 -","4","1","","Helmy, Sameh; Leibfarth, Frank A.; Oh, Saemi; Poelma, Justin E.; Hawker, Craig J.; Read de Alaniz, Javier","Photoswitching using visible light: a new class of organic photochromic molecules.","Journal of the American Chemical Society","2014","136","23","8169","8172","10.1021/ja503016b","","","0.71073","MoKα","","0.0631","0.0495","","","0.1337","0.1405","","","","","","1.082","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121917","16.2394","0.0018","11.0517","0.0012","19.39","0.003","90","","114.633","0.002","90","","3163.3","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H52 Mo P4 Si2 -","- C24 H52 Mo P4 Si2 -","- C96 H208 Mo4 P16 Si8 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.1079","0.0496","","","0.0881","0.1071","","","","","","1.007","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121918","9.5132","0.0011","9.3963","0.0011","29.385","0.003","90","","91.339","0.002","90","","2626","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H43 Mo P3 Si -","- C21 H43 Mo P3 Si -","- C84 H172 Mo4 P12 Si4 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0702","0.0576","","","0.1161","0.1199","","","","","","1.256","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121919","38.441","0.003","9.6368","0.0008","16.7191","0.0015","90","","99.461","0.001","90","","6109.3","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H50 Mo P4 Si -","- C24 H50 Mo P4 Si -","- C192 H400 Mo8 P32 Si8 -","8","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0716","0.0408","","","0.0871","0.0997","","","","","","1.023","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121920","13.762","0.002","9.4136","0.0015","23.238","0.004","90","","106.705","0.002","90","","2883.4","0.8","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 Mo P3 Si -","- C27 H43 Mo P3 Si -","- C108 H172 Mo4 P12 Si4 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0952","0.0512","","","0.1002","0.1169","","","","","","1.014","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121921","11.5384","0.0011","16.2583","0.0016","19.167","0.0019","90","","102.975","0.001","90","","3503.8","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H51 Mo P3 Si2 -","- C33 H51 Mo P3 Si2 -","- C132 H204 Mo4 P12 Si8 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0627","0.0434","","","0.1066","0.1195","","","","","","1.029","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121922","9.6486","0.0016","12.613","0.002","9.6355","0.0016","90","","90","","90","","1172.6","0.3","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H44 Mo P4 Si2 -","- C12 H44 Mo P4 Si2 -","- C24 H88 Mo2 P8 Si4 -","2","0.5","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.042","0.0384","","","0.0862","0.088","","","","","","1.091","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121923","15.8327","0.001","12.3924","0.0008","14.3996","0.0009","90","","101.111","0.0009","90","","2772.3","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H48 Mo P4 Si2 -","- C18 H48 Mo P4 Si2 -","- C72 H192 Mo4 P16 Si8 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0388","0.0282","","","0.063","0.0685","","","","","","1.041","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121924","13.8563","0.0013","13.5078","0.0013","12.344","0.0012","90","","90","","90","","2310.4","0.4","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H42 Mo P4 Si -","- C12 H42 Mo P4 Si -","- C48 H168 Mo4 P16 Si4 -","4","0.5","","Zuzek, Ashley A.; Parkin, Gerard","Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.","Journal of the American Chemical Society","2014","136","23","8177","8180","10.1021/ja503368j","","","0.71073","MoKα","","0.0421","0.0318","","","0.0569","0.0604","","","","","","1.034","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121925","12.5268","0.0006","13.5257","0.0007","18.2118","0.0009","111.117","0.002","91.011","0.003","93.247","0.003","2871.5","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.5 H95 B N4 Ti -","- C60.5 H95 B N4 Ti -","- C121 H190 B2 N8 Ti2 -","2","1","","Thompson, Rick; Chen, Chun-Hsing; Pink, Maren; Wu, Gang; Mindiola, Daniel J.","A nitrido salt reagent of titanium.","Journal of the American Chemical Society","2014","136","23","8197","8200","10.1021/ja504020t","","","0.71073","MoKα","","0.0729","0.055","","","0.1433","0.155","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121926","13.1469","0.0006","14.0242","0.0006","14.8591","0.0006","84.854","0.002","68.454","0.002","81.063","0.002","2515.68","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H150 K2 N8 Ti2 -","- C112 H150 K2 N8 Ti2 -","- C112 H150 K2 N8 Ti2 -","1","0.5","","Thompson, Rick; Chen, Chun-Hsing; Pink, Maren; Wu, Gang; Mindiola, Daniel J.","A nitrido salt reagent of titanium.","Journal of the American Chemical Society","2014","136","23","8197","8200","10.1021/ja504020t","","","0.71073","MoKα","","0.0846","0.0479","","","0.113","0.1272","","","","","","1.032","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121927","12.4424","0.0005","12.4647","0.0005","20.593","0.0009","94.49","0.002","101.744","0.002","115.885","0.002","2762.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.5 H87 Al N4 O Ti -","- C58.5 H87 Al N4 O Ti -","- C117 H174 Al2 N8 O2 Ti2 -","2","1","","Thompson, Rick; Chen, Chun-Hsing; Pink, Maren; Wu, Gang; Mindiola, Daniel J.","A nitrido salt reagent of titanium.","Journal of the American Chemical Society","2014","136","23","8197","8200","10.1021/ja504020t","","","0.71073","MoKα","","0.0791","0.0653","","","0.1805","0.1937","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121928","10.4355","0.0008","12.7315","0.0009","18.1717","0.0013","86.649","0.004","84.733","0.004","70.149","0.004","2260.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H67 Cl N3 Ti -","- C49 H67 Cl N3 Ti -","- C98 H134 Cl2 N6 Ti2 -","2","1","","Thompson, Rick; Chen, Chun-Hsing; Pink, Maren; Wu, Gang; Mindiola, Daniel J.","A nitrido salt reagent of titanium.","Journal of the American Chemical Society","2014","136","23","8197","8200","10.1021/ja504020t","","","0.71073","MoKα","","0.068","0.045","","","0.1088","0.1195","","","","","","1.02","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121929","14.5091","0.0004","20.5507","0.0006","17.6019","0.0005","90","","110.483","0.001","90","","4916.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H76 N4 Ti -","- C56 H76 N4 Ti -","- C224 H304 N16 Ti4 -","4","1","","Thompson, Rick; Chen, Chun-Hsing; Pink, Maren; Wu, Gang; Mindiola, Daniel J.","A nitrido salt reagent of titanium.","Journal of the American Chemical Society","2014","136","23","8197","8200","10.1021/ja504020t","","","0.71073","MoKα","","0.0611","0.0427","","","0.1071","0.1174","","","","","","1.019","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121930","10.969","0.0001","14.0804","0.0001","20.8984","0.0002","97.76","0.0004","94.6572","0.0004","101.045","0.0003","3119.84","0.05","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C102 H48 N2 O7.5 -","- C102 H48 N2 O7.5 -","- C204 H96 N4 O15 -","2","1","","Zhang, Rui; Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Synthesis and Structure of an Open-Cage Thiafullerene C69S: Reactivity Differences of an Open-Cage C70 Tetraketone Relative to Its C60 Analogue.","Journal of the American Chemical Society","2014","136","23","8193","8196","10.1021/ja504054s","","","0.85","","","0.0879","0.081","","","0.268","0.275","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121931","10.9744","0.0001","15.6712","0.0001","32.7548","0.0003","90","","96.3456","0.0004","90","","5598.72","0.08","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C99 H34 N2 O2 -","- C99 H34 N2 O2 -","- C396 H136 N8 O8 -","4","1","","Zhang, Rui; Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Synthesis and Structure of an Open-Cage Thiafullerene C69S: Reactivity Differences of an Open-Cage C70 Tetraketone Relative to Its C60 Analogue.","Journal of the American Chemical Society","2014","136","23","8193","8196","10.1021/ja504054s","","","0.85","","","0.0905","0.077","","","0.2042","0.2221","","","","","","1.038","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121932","14.682","0.0003","14.9432","0.0003","22.5408","0.0004","104.896","0.0009","102.991","0.001","99.4224","0.0012","4526.19","0.16","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C138.5 H82 N6 Ni O3 -","- C138.5 H82 N6 Ni O3 -","- C277 H164 N12 Ni2 O6 -","2","1","","Zhang, Rui; Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Synthesis and Structure of an Open-Cage Thiafullerene C69S: Reactivity Differences of an Open-Cage C70 Tetraketone Relative to Its C60 Analogue.","Journal of the American Chemical Society","2014","136","23","8193","8196","10.1021/ja504054s","","","0.85","","","0.0885","0.0789","","","0.2188","0.2384","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121933","10.9998","0.0001","15.5835","0.0002","32.7449","0.0003","90","","96.8988","0.0005","90","","5572.34","0.1","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H31 Cl N2 O S -","- C97 H31 Cl N2 O S -","- C388 H124 Cl4 N8 O4 S4 -","4","1","","Zhang, Rui; Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Synthesis and Structure of an Open-Cage Thiafullerene C69S: Reactivity Differences of an Open-Cage C70 Tetraketone Relative to Its C60 Analogue.","Journal of the American Chemical Society","2014","136","23","8193","8196","10.1021/ja504054s","","","0.85","","","0.0868","0.0769","","","0.2065","0.2198","","","","","","1.054","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121934","9.7753","0.0011","12.6238","0.0015","30.737","0.004","90","","90","","90","","3793","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 O6 -","- C42 H60 O6 -","- C168 H240 O24 -","4","1","","Deng, Jun; Zhou, Shupeng; Zhang, Wenhao; Li, Jian; Li, Ruofan; Li, Ang","Total synthesis of taiwaniadducts B, C, and d.","Journal of the American Chemical Society","2014","136","23","8185","8188","10.1021/ja503972p","","","0.71073","MoKα","","0.064","0.0479","","","0.1139","0.1235","","","","","","1.034","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121935","7.8448","0.0009","12.3771","0.0014","20.72","0.002","90","","90","","90","","2011.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","","Deng, Jun; Zhou, Shupeng; Zhang, Wenhao; Li, Jian; Li, Ruofan; Li, Ang","Total synthesis of taiwaniadducts B, C, and d.","Journal of the American Chemical Society","2014","136","23","8185","8188","10.1021/ja503972p","","","0.71073","MoKα","","0.073","0.0486","","","0.1094","0.1204","","","","","","1.006","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121940","6.3819","0.0013","9.1034","0.0018","9.7642","0.0019","108.882","0.003","103.887","0.003","95.759","0.003","511.18","0.18","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H22 Cl N O3 -","- C24 H22 Cl N O3 -","- C24 H22 Cl N O3 -","1","1","","Li, Qing-Hua; Wei, Liang; Wang, Chun-Jiang","Catalytic asymmetric 1,3-dipolar [3 + 6] cycloaddition of azomethine ylides with 2-acyl cycloheptatrienes: efficient construction of bridged heterocycles bearing piperidine moiety.","Journal of the American Chemical Society","2014","136","24","8685","8692","10.1021/ja503309u","","","0.71073","MoKα","","0.0375","0.0334","","","0.0839","0.0881","","","","","","1.06","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121941","13.8575","0.0015","13.8575","0.0015","12.3672","0.0013","90","","90","","120","","2056.7","0.4","296","2","296","2","","","","","","","","6","P 32","P 32","145","","","","- C27 H28 Cl N O6 S -","- C27 H28 Cl N O6 S -","- C81 H84 Cl3 N3 O18 S3 -","3","1","","Li, Qing-Hua; Wei, Liang; Wang, Chun-Jiang","Catalytic asymmetric 1,3-dipolar [3 + 6] cycloaddition of azomethine ylides with 2-acyl cycloheptatrienes: efficient construction of bridged heterocycles bearing piperidine moiety.","Journal of the American Chemical Society","2014","136","24","8685","8692","10.1021/ja503309u","","","0.71073","MoKα","","0.0805","0.0399","","","0.0744","0.089","","","","","","1.016","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121942","10.7267","0.0011","8.0894","0.0009","11.6346","0.0013","90","","100.927","0.002","90","","991.26","0.19","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O2 -","- C23 H24 Cl N O2 -","- C46 H48 Cl2 N2 O4 -","2","1","","Li, Qing-Hua; Wei, Liang; Wang, Chun-Jiang","Catalytic asymmetric 1,3-dipolar [3 + 6] cycloaddition of azomethine ylides with 2-acyl cycloheptatrienes: efficient construction of bridged heterocycles bearing piperidine moiety.","Journal of the American Chemical Society","2014","136","24","8685","8692","10.1021/ja503309u","","","0.71073","MoKα","","0.037","0.0341","","","0.0789","0.0812","","","","","","0.988","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121943","8.6789","0.0003","34.3705","0.0014","11.058","0.0007","90","","110.497","0.003","90","","3089.7","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C96 H24 N12 O72 Sc8 -","4","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1486","0.1131","","0.1211","0.1102","0.1102","","","","","","1.0853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121944","8.744","0.003","20.762","0.006","34.408","0.011","90","","90","","90","","6247","3","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.057","0.0404","","0.1002","0.0941","0.1002","","","","","","0.9402","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121945","8.7977","0.0003","20.7323","0.001","34.3652","0.001","90","","90","","90","","6268.1","0.4","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C25.125 H16.5 O13.125 Sc2 -","- C26.056 H12 O14.056 Sc2 -","- C208.448 H96 O112.448 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","1.54178","CuKα","","0.0823","0.0623","","0.17","0.1523","0.17","","","","","","0.9247","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121946","8.7682","0.0014","20.4694","0.0019","33.851","0.005","90","","90","","90","","6075.6","1.4","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C28.875 H31.5 O16.875 Sc2 -","- C28.84 H12 O16.84 Sc2 -","- C230.72 H96 O134.72 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1459","0.0988","","0.3014","0.2518","0.3014","","","","","","1.1704","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121947","8.686","0.0004","34.208","0.002","11.0156","0.001","90","","110.632","0.005","90","","3063.1","0.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C96 H24 N12 O72 Sc8 -","4","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1792","0.1326","","0.1598","0.1398","0.1398","","","","","","0.9628","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121948","8.8244","0.001","20.6223","0.0014","34.123","0.003","90","","90","","90","","6209.7","1","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C28.75 H31 O16.75 Sc2 -","- C29.16 H12 O17.16 Sc2 -","- C233.28 H96 O137.28 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1147","0.0794","","0.2502","0.2209","0.2502","","","","","","0.9897","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121949","8.6765","0.0001","34.4185","0.0005","11.0608","0.0002","90","","110.476","0.001","90","","3094.42","0.08","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C96 H24 N12 O72 Sc8 -","4","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1065","0.0878","","0.0999","0.0978","0.0978","","","","","","1.0754","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121950","8.7407","0.0004","20.7577","0.001","34.3372","0.0019","90","","90","","90","","6230","0.5","298","","298","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","1.54184","CuKα","","0.0459","0.04","","0.0862","0.0783","0.0862","","","","","","0.8154","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121951","8.8567","0.0016","20.693","0.002","34.249","0.006","90","","90","","90","","6276.9","1.7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C28 H28 O16 Sc2 -","- C27.96 H12 O15.96 Sc2 -","- C223.68 H96 O127.68 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1362","0.0889","","0.2102","0.189","0.2102","","","","","","1.0483","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121952","8.7316","0.0005","20.7231","0.0007","34.3055","0.0014","90","","90","","90","","6207.4","0.5","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.0769","0.044","","0.127","0.1131","0.127","","","","","","0.8514","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121953","8.8641","0.0017","20.698","0.002","34.229","0.006","90","","90","","90","","6280","1.7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C28.875 H31.5 O16.875 Sc2 -","- C28.76 H12 O16.76 Sc2 -","- C230.08 H96 O134.08 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1783","0.099","","0.2876","0.2417","0.2876","","","","","","0.9424","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121954","18.365","0.004","31.823","0.005","8.7225","0.0011","90","","90","","90","","5097.7","1.5","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C192 H48 N24 O144 Sc16 -","8","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1747","0.1407","","0.3984","0.3745","0.3984","","","","","","1.6212","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121955","19.61","0.006","32.864","0.008","8.6757","0.0016","90","","90","","90","","5591","2","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C192 H48 N24 O144 Sc16 -","8","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1748","0.1255","","0.3453","0.3015","0.3453","","","","","","1.2282","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121956","18.621","0.002","32.033","0.003","8.6911","0.0005","90","","90","","90","","5184.1","0.8","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C192 H48 N24 O144 Sc16 -","8","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1322","0.1013","","0.2575","0.2409","0.2575","","","","","","0.9975","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121957","8.7467","0.0002","20.7505","0.0004","34.3708","0.0006","90","","90","","90","","6238.2","0.2","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 O12 Sc2 -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.0951","0.0537","","0.1001","0.0906","0.1001","","","","","","0.9236","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121958","8.8041","0.0015","20.625","0.002","34.062","0.005","90","","90","","90","","6185.1","1.5","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C29.25 H33 O17.25 Sc2 -","- C29.2 H12 O17.2 Sc2 -","- C233.6 H96 O137.6 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1444","0.0999","","0.3144","0.2676","0.3144","","","","","","0.9051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121959","18.951","0.002","32.321","0.003","8.6859","0.0005","90","","90","","90","","5320.2","0.8","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C192 H48 N24 O144 Sc16 -","8","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1495","0.1021","","0.2881","0.2512","0.2881","","","","","","0.9566","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121960","8.6111","0.0003","34.26","0.004","10.9614","0.0004","90","","109.949","0.002","90","","3039.8","0.4","293","","293","","","","27000","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C96 H24 N12 O72 Sc8 -","4","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.3238","0.1177","","0.1352","0.119","0.119","","","","","","1.3479","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121961","8.6786","0.0003","34.4286","0.0013","11.0628","0.0004","90","","110.482","0.002","90","","3096.5","0.2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 N3 O18 Sc2 -","- C24 H6 N3 O18 Sc2 -","- C96 H24 N12 O72 Sc8 -","4","0.5","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1263","0.0806","","0.0763","0.0679","0.0679","","","","","","1.1311","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121962","8.851","0.002","20.676","0.003","34.203","0.007","90","","90","","90","","6259","2","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C29.125 H32.5 O17.125 Sc2 -","- C29.24 H12 O17.24 Sc2 -","- C233.92 H96 O137.92 Sc16 -","8","0.25","","Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A.","Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure.","Journal of the American Chemical Society","2014","136","24","8606","8613","10.1021/ja411934f","","","0.71073","MoKα","","0.1803","0.0919","","0.2526","0.2118","0.2526","","","","","","0.9746","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121963","6.2662","0.0001","17.4708","0.0003","21.464","0.0015","90","","90","","90","","2349.78","0.17","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F9 N2 O2 S -","- C22 H19 F9 N2 O2 S -","- C88 H76 F36 N8 O8 S4 -","4","1","","Wangweerawong, Apiwat; Bergman, Robert G.; Ellman, Jonathan A.","Asymmetric Synthesis of α-Branched Amines via Rh(III)-Catalyzed C-H Bond Functionalization.","Journal of the American Chemical Society","2014","136","24","8520","8523","10.1021/ja5033452","","","1.54178","CuKα","","0.0386","0.0344","","","0.0724","0.075","","","","","","1.138","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121964","5.2361","0.0001","13.5746","0.0003","27.6919","0.0005","90","","90","","90","","1968.28","0.07","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","","Takeda, Youhei; Ikeda, Yuki; Kuroda, Akinobu; Tanaka, Shino; Minakata, Satoshi","Pd/NHC-Catalyzed Enantiospecific and Regioselective Suzuki-Miyaura Arylation of 2-Arylaziridines: Synthesis of Enantioenriched 2-Arylphenethylamine Derivatives.","Journal of the American Chemical Society","2014","136","24","8544","8547","10.1021/ja5039616","","","1.54187","CuKα","","0.1056","0.0708","","","0.1162","0.1282","","","","","","1.088","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121965","9.86","0.003","21.682","0.006","28.601","0.005","90","","87.321","0.014","90","","6108","3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C276 H300 N12 O24 S12 -","12","3","","Takeda, Youhei; Ikeda, Yuki; Kuroda, Akinobu; Tanaka, Shino; Minakata, Satoshi","Pd/NHC-Catalyzed Enantiospecific and Regioselective Suzuki-Miyaura Arylation of 2-Arylaziridines: Synthesis of Enantioenriched 2-Arylphenethylamine Derivatives.","Journal of the American Chemical Society","2014","136","24","8544","8547","10.1021/ja5039616","","","1.54187","CuKα","","0.1758","0.0875","","","0.1801","0.2234","","","","","","1.062","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121966","13.4376","0.0017","24.237","0.003","15.0417","0.0018","90","","93.186","0.002","90","","4891.3","1","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","cmpd5a","","","- C44 H64 O4 S4 Si4 -","- C44 H64 O4 S4 Si4 -","- C176 H256 O16 S16 Si16 -","4","1","","Fukazawa, Aiko; Oshima, Hiroya; Shimizu, Soji; Kobayashi, Nagao; Yamaguchi, Shigehiro","Dearomatization-induced transannular cyclization: synthesis of electron-accepting thiophene-s,s-dioxide-fused biphenylene.","Journal of the American Chemical Society","2014","136","24","8738","8745","10.1021/ja503499n","","","0.7107","MoKα","","0.0502","0.0452","","","0.1147","0.1186","","","","","","1.063","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121967","12.481","0.007","14.609","0.007","16.096","0.008","98.34","0.02","90.05","0.02","108.281","0.012","2754","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","cmpd5b","","","- C46 H67 N O4 S4 Si4 -","- C44 H64 O4 S4 Si4 -","- C88 H128 O8 S8 Si8 -","2","1","","Fukazawa, Aiko; Oshima, Hiroya; Shimizu, Soji; Kobayashi, Nagao; Yamaguchi, Shigehiro","Dearomatization-induced transannular cyclization: synthesis of electron-accepting thiophene-s,s-dioxide-fused biphenylene.","Journal of the American Chemical Society","2014","136","24","8738","8745","10.1021/ja503499n","","","0.7107","MoKα","","0.0796","0.0648","","","0.1754","0.187","","","","","","1.156","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121968","6.8915","0.0008","23.793","0.003","16.7203","0.0019","90","","90.691","0.0019","90","","2741.4","0.6","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","cmpd4","","","- C48 H70 N2 O6 S4 Si4 -","- C48 H70 N2 O6 S4 Si4 -","- C96 H140 N4 O12 S8 Si8 -","2","0.5","","Fukazawa, Aiko; Oshima, Hiroya; Shimizu, Soji; Kobayashi, Nagao; Yamaguchi, Shigehiro","Dearomatization-induced transannular cyclization: synthesis of electron-accepting thiophene-s,s-dioxide-fused biphenylene.","Journal of the American Chemical Society","2014","136","24","8738","8745","10.1021/ja503499n","","","0.7107","MoKα","","0.0458","0.0418","","","0.1103","0.1135","","","","","","1.073","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121969","13.746","0.005","12.472","0.004","14.807","0.005","90","","93.306","0.005","90","","2534.3","1.5","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","cmpd3","","","- C44 H64 O8 S4 Si4 -","- C44 H64 O8 S4 Si4 -","- C88 H128 O16 S8 Si8 -","2","0.5","","Fukazawa, Aiko; Oshima, Hiroya; Shimizu, Soji; Kobayashi, Nagao; Yamaguchi, Shigehiro","Dearomatization-induced transannular cyclization: synthesis of electron-accepting thiophene-s,s-dioxide-fused biphenylene.","Journal of the American Chemical Society","2014","136","24","8738","8745","10.1021/ja503499n","","","0.7107","MoKα","","0.1297","0.0872","","","0.2207","0.2736","","","","","","1.178","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121970","7.627","0.0008","8.8684","0.0009","17.4002","0.0017","76.1095","0.0019","85.395","0.002","65.8753","0.0018","1042.52","0.18","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","jonsc21","(iPr2PCH2CH2NCH2CH2PiPr2)FeH(CO)","","- C17 H37 Fe N O P2 -","- C17 H37 Fe N O P2 -","- C34 H74 Fe2 N2 O2 P4 -","2","1","","Chakraborty, Sumit; Brennessel, William W.; Jones, William D.","A molecular iron catalyst for the acceptorless dehydrogenation and hydrogenation of N-heterocycles.","Journal of the American Chemical Society","2014","136","24","8564","8567","10.1021/ja504523b","","","0.71073","MoKα","","0.0429","0.0319","","","0.0747","0.0791","","","","","","1.065","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121971","11.147","0.003","10.433","0.002","27.58","0.007","90","","92.683","0.007","90","","3203.9","1.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H8 F36 O4 -","- C21 H8 F36 O4 -","- C84 H32 F144 O16 -","4","1","","Tirotta, Ilaria; Mastropietro, Alfonso; Cordiglieri, Chiara; Gazzera, Lara; Baggi, Fulvio; Baselli, Giuseppe; Grazia Bruzzone, Maria; Zucca, Ileana; Cavallo, Gabriella; Terraneo, Giancarlo; Baldelli Bombelli, Francesca; Metrangolo, Pierangelo; Resnati, Giuseppe","A Superfluorinated Molecular Probe for Highly Sensitive in Vivo(19)F-MRI.","Journal of the American Chemical Society","2014","136","24","8524","8527","10.1021/ja503270n","","","0.71073","MoKα","","0.1236","0.0794","","","0.2014","0.239","","","","","","1.027","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121972","9.656","0.002","9.741","0.002","14.998","0.004","78.909","0.004","83.3","0.003","74.702","0.004","1332.1","0.5","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 N2 Yb -","- C32 H38 N2 Yb -","- C64 H76 N4 Yb2 -","2","1","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","","0.71073","MoKα","","0.0364","0.0305","","","0.0712","0.0739","","","","","","1.178","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121973","17.9675","0.0015","17.8594","0.0015","16.2715","0.0013","90","","90","","90","","5221.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H76 N4 Yb2 -","- C64 H76 N4 Yb2 -","- C256 H304 N16 Yb8 -","4","0.5","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","x-ray","0.71073","MoKα","","0.0563","0.0344","","","0.0783","0.0855","","","","","","1.003","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121974","9.4244","0.0013","13.0969","0.0018","14.5221","0.0019","83.002","0.002","77.287","0.002","78.976","0.002","1710.3","0.4","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C82 H100 N4 Yb2 -","- C82 H100 N4 Yb2 -","- C82 H100 N4 Yb2 -","1","0.5","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","x-ray","0.71073","MoKα","","0.0448","0.0369","","","0.0844","0.0882","","","","","","1.07","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121975","9.0108","0.0003","17.2862","0.0006","18.5122","0.0006","90","","90.228","0.002","90","","2883.48","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 N2 Yb -","- C34 H42 N2 Yb -","- C136 H168 N8 Yb4 -","4","1","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","","0.71073","MoKα","","0.0239","0.0205","","","0.0463","0.0482","","","","","","1.074","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121976","9.7032","0.0013","31.081","0.004","28.751","0.004","90","","99.71","","90","","8547","2","137","2","137","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 N2 Yb -","- C34 H42 N2 Yb -","- C408 H504 N24 Yb12 -","12","3","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","","0.71073","MoKα","","0.0588","0.0369","","","0.0653","0.0676","","","","","","0.98","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121977","10.9776","0.0003","9.9868","0.0003","28.5806","0.0008","90","","90","","90","","3133.32","0.15","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0339","0.0324","","","0.0803","0.0814","","","","","","1.054","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121978","14.5256","0.0003","6.9706","0.0002","24.6411","0.0006","90","","92.089","0.001","90","","2493.31","0.11","100","2","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C120 H120 N8 O24 -","8","4","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0297","0.0279","","","0.0682","0.0695","","","","","","1.029","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121979","7.2608","0.0002","12.2775","0.0004","13.9906","0.0005","90","","90","","90","","1247.18","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0258","0.0255","","","0.0666","0.0675","","","","","","1.077","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121980","10.9054","0.0003","17.4588","0.0004","6.6865","0.0002","90","","90","","90","","1273.08","0.06","100","","100.01","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H17 N O3.5 -","- C15 H15 N O3.5 -","- C60 H60 N4 O14 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0342","0.0327","","","0.0894","0.0908","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121981","10.9133","0.0002","17.456","0.0004","6.6856","0.0001","90","","90","","90","","1273.62","0.04","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H16 N O3.5 -","- C15 H16 N O3.5 -","- C60 H64 N4 O14 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0343","0.0337","","","0.0969","0.0975","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121982","10.0478","0.0003","7.4742","0.0002","10.4273","0.0003","90","","117.995","0.001","90","","691.45","0.03","100","2","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.025","0.0248","","","0.0656","0.0659","","","","","","1.054","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121983","10.0586","0.0015","7.4726","0.0011","10.4252","0.0015","90","","117.968","0.005","90","","692.08","0.18","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0267","0.0264","","","0.0681","0.0683","","","","","","1.059","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121984","10.4155","0.0004","10.8207","0.0004","11.9003","0.0004","90","","90","","90","","1341.2","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0496","0.0486","","","0.1323","0.1331","","","","","","1.052","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121985","10.4007","0.0007","10.8621","0.0007","11.9388","0.0008","90","","90","","90","","1348.77","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0716","0.068","","","0.198","0.2027","","","","","","1.06","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121986","10.5863","0.0005","7.2819","0.0003","10.7905","0.0005","90","","112.547","0.002","90","","768.24","0.06","100","","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C40 H34 N2 O6 -","2","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0249","0.0248","","","0.064","0.0642","","","","","","1.046","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121987","10.5871","0.0002","7.2845","0.0002","10.7784","0.0003","90","","112.488","0.002","90","","768.04","0.04","100","","100.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C40 H34 N2 O6 -","2","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0279","0.0263","","","0.0649","0.066","","","","","","1.029","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121988","10.5289","0.0002","10.8797","0.0002","11.1329","0.0002","90","","90","","90","","1275.29","0.04","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0394","0.0343","","","0.0782","0.0808","","","","","","1.092","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121989","10.412","0.0003","11.0795","0.0003","11.1114","0.0004","90","","90","","90","","1281.81","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0435","0.0413","","","0.1107","0.1124","","","","","","1.06","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121990","7.051","0.003","12.646","0.005","16.338","0.005","90","","90","","90","","1456.8","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Br O2 -","- C15 H19 Br O2 -","- C60 H76 Br4 O8 -","4","1","","Feng, Jiajie; Garza, Victoria J.; Krische, Michael J.","Redox-Triggered C-C Coupling of Alcohols and Vinyl Epoxides: Diastereo- and Enantioselective Formation of All-Carbon Quaternary Centers via tert-(Hydroxy)-Prenylation.","Journal of the American Chemical Society","2014","136","25","8911","8914","10.1021/ja504625m","","","0.71073","MoKα","","0.0209","0.0201","","","0.0508","0.0512","","","","","","1.082","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121991","11.3472","0.0015","16.549","0.002","20.044","0.003","79.129","0.002","87.126","0.002","79.929","0.002","3638.9","0.8","130","2","130","2","","","","","","","","6","P -1","-P 1","2","tap006","","","- C60 H77 K4 N11.5 O22 Th -","- C59.818 H77.08 K4 N11.577 O22.249 Th -","- C119.636 H154.16 K8 N23.154 O44.498 Th2 -","2","1","","Pham, Tiffany A.; Xu, Jide; Raymond, Kenneth N.","A macrocyclic chelator with unprecedented th(4+) affinity.","Journal of the American Chemical Society","2014","136","25","9106","9115","10.1021/ja503456r","","","0.71073","MoKα","","0.1147","0.0709","","","0.1711","0.1973","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121992","11.0189","0.0006","8.3701","0.0004","29.9278","0.0015","90","","94.475","0.002","90","","2751.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H72 Cl2 N10 O22 -","- C50 H72 Cl4 N10 O22 -","- C100 H144 Cl8 N20 O44 -","2","0.5","","Pham, Tiffany A.; Xu, Jide; Raymond, Kenneth N.","A macrocyclic chelator with unprecedented th(4+) affinity.","Journal of the American Chemical Society","2014","136","25","9106","9115","10.1021/ja503456r","","","1.54178","CuKα","","0.0432","0.0355","","","0.092","0.0966","","","","","","1.038","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121993","8.6814","0.0002","7.3122","0.0002","13.837","0.0004","90","","128.498","0.002","90","","687.44","0.04","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Ba2 O15 P5 Rb -","- Ba2 O15 P5 Rb -","- Ba4 O30 P10 Rb2 -","2","1","","Zhao, Sangen; Gong, Pifu; Luo, Siyang; Bai, Lei; Lin, Zheshuai; Ji, Chengmin; Chen, Tianliang; Hong, Maochun; Luo, Junhua","Deep-Ultraviolet Transparent Phosphates RbBa2(PO3)5 and Rb2Ba3(P2O7)2 Show Nonlinear Optical Activity from Condensation of [PO4](3-) Units.","Journal of the American Chemical Society","2014","136","24","8560","8563","10.1021/ja504319x","","","0.71073","MoKα","","0.0275","0.0266","","","0.0598","0.0604","","","","","","1.033","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121994","8.9487","0.0002","9.4087","0.0002","18.4277","0.0003","90","","90","","90","","1551.53","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ba3 O14 P4 Rb2 -","- Ba3 O14 P4 Rb2 -","- Ba12 O56 P16 Rb8 -","4","1","","Zhao, Sangen; Gong, Pifu; Luo, Siyang; Bai, Lei; Lin, Zheshuai; Ji, Chengmin; Chen, Tianliang; Hong, Maochun; Luo, Junhua","Deep-Ultraviolet Transparent Phosphates RbBa2(PO3)5 and Rb2Ba3(P2O7)2 Show Nonlinear Optical Activity from Condensation of [PO4](3-) Units.","Journal of the American Chemical Society","2014","136","24","8560","8563","10.1021/ja504319x","","","0.71073","MoKα","","0.0528","0.0491","","","0.1128","0.1148","","","","","","1.053","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121995","5.17086","0.00015","5.17086","","13.9353","0.0004","90","","90","","120","","322.68","","298","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","zinc iron tantalite","","- Fe O6 Ta Zn2 -","- Fe O6 Ta Zn2 -","- Fe3 O18 Ta3 Zn6 -","3","0.166667","","Li, Man-Rong; Stephens, Peter W.; Retuerto, Maria; Sarkar, Tapati; Grams, Christoph P.; Hemberger, Joachim; Croft, Mark C.; Walker, David; Greenblatt, Martha","Designing Polar and Magnetic Oxides: Zn2FeTaO6 - in Search of Multiferroics.","Journal of the American Chemical Society","2014","136","24","8508","8511","10.1021/ja502774v","powder diffraction","x-ray","0.70018","","","","","","","","","0.0927","","1.15","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121998","18.23736","0.00014","4.93687","0.00004","11.96092","0.00011","90","","120.722","0.0007","90","","925.769","0.015","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Fe3 Na2 O12 P3 -","- Fe3 Na2 O12 P3 -","- Fe12 Na8 O48 P12 -","4","1","","Boucher, Florent; Gaubicher, Joël; Cuisinier, Marine; Guyomard, Dominique; Moreau, Philippe","Elucidation of the Na2/3FePO4 and Li2/3FePO4 Intermediate Superstructure Revealing a Pseudouniform Ordering in 2D.","Journal of the American Chemical Society","2014","136","25","9144","9157","10.1021/ja503622y","powder diffraction","","0.725633","synchrotron","","","","","","","","","1.3528","0.777","","","","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121999","9.2633","0.0002","9.369","0.0002","9.9779","0.0002","90","","90","","90","","865.96","0.03","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","","Wang, Sen; Wen, Xin; DeVries, Arthur L.; Bagdagulyan, Yelena; Morita, Alexander; Golen, James A.; Duman, John G.; Rheingold, Arnold L.","Molecular Recognition of Methyl α-d-Mannopyranoside by Antifreeze (Glyco)Proteins.","Journal of the American Chemical Society","2014","136","25","8973","8981","10.1021/ja502837t","","","1.54178","CuKα","","0.0233","0.0232","","","0.0685","0.0687","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122000","13.8684","0.0001","14.978","0.0002","39.1771","0.0003","90","","94.9953","0.0008","90","","8106.99","0.14","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[Rh(XantPhos)(H)(BHNiPr2)(MeCN)][BArF4]","","- C79 H63 B2 F24 N2 O P2 Rh -","- C79 H63 B2 F24 N2 O P2 Rh -","- C316 H252 B8 F96 N8 O4 P8 Rh4 -","4","1","","Johnson, Heather C.; Leitao, Erin M.; Whittell, George R.; Manners, Ian; Lloyd-Jones, Guy C; Weller, Andrew S.","Mechanistic studies of the dehydrocoupling and dehydropolymerization of amine-boranes using a [rh(xantphos)](+) catalyst.","Journal of the American Chemical Society","2014","136","25","9078","9093","10.1021/ja503335g","","","1.5418","CuKα","","0.0516","0.0454","","0.1093","0.107","0.1093","","","","","","0.9908","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122001","11.393","0.003","16.693","0.004","11.163","0.002","90","","119.083","0.004","90","","1855.3","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Si2 -","- C42 H52 Si2 -","- C84 H104 Si4 -","2","0.5","","Rose, Bradley D.; Sumner, Natalie J.; Filatov, Alexander S.; Peters, Steven J.; Zakharov, Lev N.; Petrukhina, Marina A.; Haley, Michael M.","Experimental and Computational Studies of the Neutral and Reduced States of Indeno[1,2-b]fluorene.","Journal of the American Chemical Society","2014","136","25","9181","9189","10.1021/ja503870z","","","0.71073","MoKα","","0.097","0.0824","","","0.1955","0.2037","","","","","","1.098","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122002","15.372","0.005","15.458","0.005","20.271","0.006","84.859","0.004","78.483","0.004","75.506","0.004","4566","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H140 O14 Rb2 Si2 -","- C92 H140 O14 Rb2 Si2 -","- C184 H280 O28 Rb4 Si4 -","2","1","","Rose, Bradley D.; Sumner, Natalie J.; Filatov, Alexander S.; Peters, Steven J.; Zakharov, Lev N.; Petrukhina, Marina A.; Haley, Michael M.","Experimental and Computational Studies of the Neutral and Reduced States of Indeno[1,2-b]fluorene.","Journal of the American Chemical Society","2014","136","25","9181","9189","10.1021/ja503870z","","","0.71073","Mo-Kα","","0.1989","0.0801","","","0.1379","0.1704","","","","","","0.853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122003","8.8308","0.001","12.06","0.0013","14.1805","0.0015","79.933","0.003","89.743","0.003","77.696","0.003","1452","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 Mo2 O6 -","- C30 H34 Mo2 O6 -","- C60 H68 Mo4 O12 -","2","1","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.0815","0.0586","","","0.1565","0.1742","","","","","","1.096","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122004","12.964","0.0007","17.3636","0.0008","18.9563","0.0008","90","","109.657","0.003","90","","4018.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 Mo2 O6 -","- C42 H58 Mo2 O6 -","- C168 H232 Mo8 O24 -","4","1","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.1248","0.0591","","","0.1397","0.1735","","","","","","1.038","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122005","8.6722","0.0004","14.788","0.0006","23.1393","0.001","90.411","0.002","91.901","0.002","91.848","0.001","2964.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 F9 Mo2 O6 -","- C28 H21 F9 Mo2 O6 -","- C112 H84 F36 Mo8 O24 -","4","2","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.0435","0.0305","","","0.0646","0.0687","","","","","","1.035","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122006","12.196","0.003","17.152","0.004","18.742","0.003","90","","92.469","0.005","90","","3916.9","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 F9 Mo2 O6 -","- C36 H37 F9 Mo2 O6 -","- C144 H148 F36 Mo8 O24 -","4","1","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.048","0.0353","","","0.0854","0.0908","","","","","","1.045","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122007","10.7561","0.0006","12.1811","0.0006","33.4375","0.0018","81.079","0.002","89.802","0.002","87.103","0.002","4322.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H94 F12 Mo4 O9 -","- C100 H94 F12 Mo4 O9 -","- C200 H188 F24 Mo8 O18 -","2","1","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.0726","0.0516","","","0.1323","0.1421","","","","","","1.057","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122008","12.746","0.0006","13.7441","0.0007","16.6183","0.0008","82.265","0.001","83.126","0.001","82.649","0.001","2845.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H74 F6 Mo2 O4 -","- C64 H74 F6 Mo2 O4 -","- C128 H148 F12 Mo4 O8 -","2","1","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.0439","0.0342","","","0.0942","0.0988","","","","","","1.089","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122009","10.6961","0.0006","12.2227","0.0007","33.5128","0.0019","98.871","0.001","90.005","0.001","92.874","0.001","4323.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 F6 O4 W2 -","- C48 H42 F6 O4 W2 -","- C192 H168 F24 O16 W8 -","4","2","","Carrasco, Mario; Mendoza, Irene; Faust, Michelle; López-Serrano, Joaquín; Peloso, Riccardo; Rodríguez, Amor; Alvarez, Eleuterio; Maya, Celia; Power, Philip P.; Carmona, Ernesto","Terphenyl complexes of molybdenum and tungsten with quadruple metal-metal bonds and bridging carboxylate ligands.","Journal of the American Chemical Society","2014","136","25","9173","9180","10.1021/ja503750a","","","0.71073","MoKα","","0.041","0.0352","","","0.0813","0.0843","","","","","","1.044","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122010","12.1829","0.0001","16.7868","0.0002","18.386","0.0002","109.558","0.0006","104.235","0.0006","90.7803","0.0004","3415.41","0.06","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H116 N4 O4 -","- C74 H116 N4 O4 -","- C148 H232 N8 O8 -","2","1","","Hoshino, Manabu; Uchida, Emi; Norikane, Yasuo; Azumi, Reiko; Nozawa, Shunsuke; Tomita, Ayana; Sato, Tokushi; Adachi, Shin-Ichi; Koshihara, Shin-Ya","Crystal Melting by Light: X-ray Crystal Structure Analysis of an Azo Crystal Showing Photoinduced Crystal-Melt Transition.","Journal of the American Chemical Society","2014","136","25","9158","9164","10.1021/ja503652c","","","0.68889","synchrotron","","0.0559","0.0506","","","0.1385","0.1431","","","","","","1.066","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122011","12.1984","0.0001","16.88","0.0002","18.4383","0.0002","109.598","0.0006","104.431","0.0006","90.62","0.0005","3445.24","0.06","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H116 N4 O4 -","- C74 H116 N4 O4 -","- C148 H232 N8 O8 -","2","1","","Hoshino, Manabu; Uchida, Emi; Norikane, Yasuo; Azumi, Reiko; Nozawa, Shunsuke; Tomita, Ayana; Sato, Tokushi; Adachi, Shin-Ichi; Koshihara, Shin-Ya","Crystal Melting by Light: X-ray Crystal Structure Analysis of an Azo Crystal Showing Photoinduced Crystal-Melt Transition.","Journal of the American Chemical Society","2014","136","25","9158","9164","10.1021/ja503652c","","","0.68889","synchrotron","","0.057","0.0502","","","0.1402","0.1456","","","","","","1.066","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122012","12.2235","0.0001","16.9976","0.0002","18.4928","0.0002","109.685","0.0007","104.677","0.0007","90.4584","0.0005","3481.22","0.07","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H116 N4 O4 -","- C74 H116 N4 O4 -","- C148 H232 N8 O8 -","2","1","","Hoshino, Manabu; Uchida, Emi; Norikane, Yasuo; Azumi, Reiko; Nozawa, Shunsuke; Tomita, Ayana; Sato, Tokushi; Adachi, Shin-Ichi; Koshihara, Shin-Ya","Crystal Melting by Light: X-ray Crystal Structure Analysis of an Azo Crystal Showing Photoinduced Crystal-Melt Transition.","Journal of the American Chemical Society","2014","136","25","9158","9164","10.1021/ja503652c","","","0.68889","synchrotron","","0.0617","0.0516","","","0.1481","0.1578","","","","","","1.081","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122013","12.2273","0.0002","18.0447","0.0004","18.8044","0.0004","115.092","0.0009","104.766","0.0009","95.9712","0.0006","3525.16","0.13","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H116 N4 O4 -","- C74 H116 N4 O4 -","- C148 H232 N8 O8 -","2","1","","Hoshino, Manabu; Uchida, Emi; Norikane, Yasuo; Azumi, Reiko; Nozawa, Shunsuke; Tomita, Ayana; Sato, Tokushi; Adachi, Shin-Ichi; Koshihara, Shin-Ya","Crystal Melting by Light: X-ray Crystal Structure Analysis of an Azo Crystal Showing Photoinduced Crystal-Melt Transition.","Journal of the American Chemical Society","2014","136","25","9158","9164","10.1021/ja503652c","","","0.68889","synchrotron","","0.1001","0.0708","","","0.2125","0.2358","","","","","","1.094","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122014","12.51","0.0003","18.0407","0.0005","18.8888","0.0006","111.689","0.0014","104.642","0.001","102.258","0.0011","3604.13","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H116 N4 O4 -","- C74 H116 N4 O4 -","- C148 H232 N8 O8 -","2","1","","Hoshino, Manabu; Uchida, Emi; Norikane, Yasuo; Azumi, Reiko; Nozawa, Shunsuke; Tomita, Ayana; Sato, Tokushi; Adachi, Shin-Ichi; Koshihara, Shin-Ya","Crystal Melting by Light: X-ray Crystal Structure Analysis of an Azo Crystal Showing Photoinduced Crystal-Melt Transition.","Journal of the American Chemical Society","2014","136","25","9158","9164","10.1021/ja503652c","","","0.68889","synchrotron","","0.0943","0.0763","","","0.2256","0.25","","","","","","1.06","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122015","20.8477","0.0004","11.8734","0.0002","16.0707","0.0003","90","","109.47","0.001","90","","3750.55","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 Ir O P2 -","- C41 H55 Ir O P2 -","- C164 H220 Ir4 O4 P8 -","4","1","","Hackenberg, Jason D.; Kundu, Sabuj; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Acid-Catalyzed Oxidative Addition of a C-H Bond to a Square Planar d(8) Iridium Complex.","Journal of the American Chemical Society","2014","136","25","8891","8894","10.1021/ja503953v","","","1.54178","CuKα","","0.0438","0.0406","","","0.0864","0.0881","","","","","","1","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122016","12.5713","0.0006","12.3816","0.0006","38.9538","0.0018","90","","96.22","0.001","90","","6027.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H56 B F24 Ir O P2 -","- C57 H56 B F24 Ir O P2 -","- C228 H224 B4 F96 Ir4 O4 P8 -","4","1","","Hackenberg, Jason D.; Kundu, Sabuj; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Acid-Catalyzed Oxidative Addition of a C-H Bond to a Square Planar d(8) Iridium Complex.","Journal of the American Chemical Society","2014","136","25","8891","8894","10.1021/ja503953v","","","0.71073","MoKα","","0.0395","0.0336","","","0.0754","0.0781","","","","","","1.004","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122017","15.8713","0.0009","11.7642","0.0007","16.8804","0.001","90","","90","","90","","3151.8","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C33 H49 Ir O P2 -","- C33 H49 Ir O P2 -","- C132 H196 Ir4 O4 P8 -","4","1","","Hackenberg, Jason D.; Kundu, Sabuj; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Acid-Catalyzed Oxidative Addition of a C-H Bond to a Square Planar d(8) Iridium Complex.","Journal of the American Chemical Society","2014","136","25","8891","8894","10.1021/ja503953v","","","0.71073","MoKα","","0.0574","0.0377","","","0.0889","0.0989","","","","","","1.006","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122018","6.0841","0.0005","15.6924","0.0012","22.5997","0.0018","90","","90","","90","","2157.7","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O2 S2 -","- C25 H27 N O2 S2 -","- C100 H108 N4 O8 S8 -","4","1","","Denmark, Scott E.; Chi, Hyung Min","Lewis base catalyzed, enantioselective, intramolecular sulfenoamination of olefins.","Journal of the American Chemical Society","2014","136","25","8915","8918","10.1021/ja5046296","","","0.71073","MoKα","","0.0272","0.0253","","","0.0625","0.0634","","","","","","1.059","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122019","14.8695","0.0015","15.973","0.002","37.274","0.004","90","","90","","90","","8853","1.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C41.59 H60.47 B11 Cl0.7 F Fe N2 O -","- C41.59 H60.475 B11 Cl0.705 F Fe N2 O -","- C332.72 H483.8 B88 Cl5.64 F8 Fe8 N16 O8 -","8","2","","Lee, Sarah Yunmi; Neufeind, Stefan; Fu, Gregory C.","Enantioselective Nucleophile-Catalyzed Synthesis of Tertiary Alkyl Fluorides via the α-Fluorination of Ketenes: Synthetic and Mechanistic Studies.","Journal of the American Chemical Society","2014","136","25","8899","8902","10.1021/ja5044209","","","0.71073","MoKα","","0.096","0.061","","","0.1396","0.1563","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122020","8.4495","0.0007","5.1247","0.0004","14.4009","0.0012","90","","95.193","0.004","90","","621.02","0.09","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H15 Br F N O -","- C12 H15 Br F N O -","- C24 H30 Br2 F2 N2 O2 -","2","1","","Lee, Sarah Yunmi; Neufeind, Stefan; Fu, Gregory C.","Enantioselective Nucleophile-Catalyzed Synthesis of Tertiary Alkyl Fluorides via the α-Fluorination of Ketenes: Synthetic and Mechanistic Studies.","Journal of the American Chemical Society","2014","136","25","8899","8902","10.1021/ja5044209","","","0.71073","MoKα","","0.0361","0.0343","","","0.0842","0.0856","","","","","","1.092","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122021","21.7099","0.0011","21.7099","0.0011","5.3925","0.0003","90","","90","","120","","2201.1","0.2","100","","100","","","","","","","","","6","P 61","P 61","169","","","","- C16 H15 Cl F N O -","- C16 H15 Cl F N O -","- C96 H90 Cl6 F6 N6 O6 -","6","1","","Lee, Sarah Yunmi; Neufeind, Stefan; Fu, Gregory C.","Enantioselective Nucleophile-Catalyzed Synthesis of Tertiary Alkyl Fluorides via the α-Fluorination of Ketenes: Synthetic and Mechanistic Studies.","Journal of the American Chemical Society","2014","136","25","8899","8902","10.1021/ja5044209","","","0.71073","MoKα","","0.0591","0.0407","","","0.0932","0.0989","","","","","","1.037","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122022","9.3319","0.0003","11.6691","0.0003","17.0064","0.0005","80.349","0.001","75.238","0.001","88.035","0.001","1765.37","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H54 Al B N2 O2 -","- C35 H54 Al B N2 O2 -","- C70 H108 Al2 B2 N4 O4 -","2","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0641","0.0506","","","0.1412","0.1532","","","","","","1.032","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122023","11.9759","0.0009","12.3948","0.0008","24.9637","0.0017","104.188","0.003","93.639","0.004","90.242","0.004","3584.6","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H100 Al2 N6 O0.5 -","- C72 H98 Al2 N6 O0.5 -","- C144 H196 Al4 N12 O -","2","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.1329","0.0689","","","0.1628","0.1955","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122024","17.2991","0.0007","12.1331","0.0006","18.0903","0.0008","90","","100.282","0.002","90","","3736","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H52 Al N2 P -","- C41 H52 Al N2 P -","- C164 H208 Al4 N8 P4 -","4","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0631","0.05","","","0.1387","0.1516","","","","","","1.012","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122025","12.0366","0.0012","12.3508","0.0013","12.6164","0.0013","70.633","0.006","87.367","0.006","79.059","0.006","1737","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H51 Al N2 Si -","- C36 H51 Al N2 Si -","- C72 H102 Al2 N4 Si2 -","2","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0651","0.0484","","","0.1178","0.1277","","","","","","1.056","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122026","8.9717","0.0003","19.8654","0.0007","10.1194","0.0004","90","","113.658","0.002","90","","1651.97","0.11","200","2","200","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C33 H52 Al N3 -","- C33 H52.4 Al N3 -","- C66 H104.8 Al2 N6 -","2","0.5","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0629","0.0457","","","0.1173","0.1286","","","","","","1.026","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122027","16.3923","0.0004","19.852","0.0006","21.4153","0.0006","90","","90","","90","","6969","0.3","200","2","200","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C39 H57 Al N2 -","- C39 H58 Al N2 -","- C312 H464 Al8 N16 -","8","0.5","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0652","0.0453","","","0.1171","0.1336","","","","","","1.038","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122028","9.633","0.0005","16.9749","0.0008","20.9503","0.001","90","","93.418","0.003","90","","3419.7","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H49 Al N2 O0.25 Si -","- C35 H49 Al N2 O0.25 Si -","- C140 H196 Al4 N8 O Si4 -","4","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0898","0.0488","","","0.1168","0.1326","","","","","","1.039","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122029","13.2522","0.0003","16.5975","0.0004","15.2587","0.0003","90","","107.769","0.0012","90","","3196.1","0.12","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Al N2 O -","- C32 H48 Al N2 O -","- C128 H192 Al4 N8 O4 -","4","1","","Chu, Terry; Korobkov, Ilia; Nikonov, Georgii I.","Oxidative Addition of σ Bonds to an Al(I) Center.","Journal of the American Chemical Society","2014","136","25","9195","9202","10.1021/ja5038337","","","0.71073","MoKα","","0.0898","0.0581","","","0.1495","0.1708","","","","","","1.018","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122033","5.5232","0.0002","11.0315","0.0003","39.7408","0.0012","90","","93.57","0.002","90","","2416.68","0.13","150","","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H54 N2 O16 -","- C54 H54 N2 O16 -","- C108 H108 N4 O32 -","2","0.5","","Fracaroli, Alejandro M.; Furukawa, Hiroyasu; Suzuki, Mitsuharu; Dodd, Matthew; Okajima, Satoshi; Gándara, Felipe; Reimer, Jeffrey A.; Yaghi, Omar M.","Metal-organic frameworks with precisely designed interior for carbon dioxide capture in the presence of water.","Journal of the American Chemical Society","2014","136","25","8863","8866","10.1021/ja503296c","","","1.54178","CuKα","","0.071","0.0479","","","0.1086","0.1201","","","","","","1.059","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122034","7.9219","0.0004","10.4568","0.0006","16.3932","0.0008","100.853","0.0015","95.5763","0.0018","110.996","0.0016","1224.9","0.11","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O8 S2 -","- C24 H27 N O8 S2 -","- C48 H54 N2 O16 S4 -","2","1","","Fracaroli, Alejandro M.; Furukawa, Hiroyasu; Suzuki, Mitsuharu; Dodd, Matthew; Okajima, Satoshi; Gándara, Felipe; Reimer, Jeffrey A.; Yaghi, Omar M.","Metal-organic frameworks with precisely designed interior for carbon dioxide capture in the presence of water.","Journal of the American Chemical Society","2014","136","25","8863","8866","10.1021/ja503296c","","","0.71073","MoKα","","0.0521","0.0406","","","0.1004","0.1091","","","","","","1.057","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122035","16.1856","0.0003","12.0875","0.0002","23.5168","0.0005","90","","97.063","0.001","90","","4565.99","0.15","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H49 B F10 N P Si -","- C48 H49 B F10 N P Si -","- C192 H196 B4 F40 N4 P4 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0855","0.058","","","0.1233","0.1423","","","","","","1.054","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122036","12.1881","0.0007","18.7211","0.0006","18.1264","0.0003","90","","106.404","0.002","90","","3967.6","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 B F10 O P Si -","- C43 H40 B F10 O P Si -","- C172 H160 B4 F40 O4 P4 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0479","0.0417","","","0.1048","0.1097","","","","","","1.046","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122037","11.1782","0.0005","12.0098","0.0003","19.3517","0.0008","89.538","0.003","81.596","0.006","81.189","0.004","2539.43","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H45 B F10 P2 Si -","- C49 H45 B F10 P2 Si -","- C98 H90 B2 F20 P4 Si2 -","2","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0642","0.0554","","","0.1553","0.1623","","","","","","1.058","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122038","20.1442","0.0002","11.9215","0.0002","24.2551","0.0004","90","","102.698","0.001","90","","5682.38","0.15","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H49 B F10 P2 Si -","- C51 H49 B F10 P2 Si -","- C204 H196 B4 F40 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.1142","0.0766","","","0.1871","0.2069","","","","","","1.038","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122039","15.6091","0.0002","12.6864","0.0002","26.4298","0.0004","90","","103.002","0.001","90","","5099.53","0.13","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 B F10 N P2 Si -","- C54 H54 B F10 N P2 Si -","- C216 H216 B4 F40 N4 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0787","0.0576","","","0.1176","0.1313","","","","","","1.084","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122040","11.2375","0.0002","13.2532","0.0003","24.0806","0.0005","92.337","0.003","90.876","0.002","104.432","0.003","3469.13","0.13","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H49 B2 Cl2 F25 P2 Si -","- C68 H49 B2 Cl2 F25 P2 Si -","- C136 H98 B4 Cl4 F50 P4 Si2 -","2","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0952","0.0564","","","0.1314","0.1472","","","","","","1.054","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122041","13.3931","0.0008","23.7899","0.0008","17.4115","0.0014","90","","94.329","0.004","90","","5531.8","0.6","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 B F10 N O2 P2 Si -","- C49 H45 B F10 N O2 P2 Si -","- C196 H180 B4 F40 N4 O8 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0487","0.0455","","","0.1391","0.1425","","","","","","1.056","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122042","12.9178","0.0004","21.3427","0.0008","17.9706","0.0008","90","","100.694","0.002","90","","4868.5","0.3","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H49 B F10 N O2 P2 Si -","- C51 H49 B F10 N O2 P2 Si -","- C204 H196 B4 F40 N4 O8 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.1424","0.0612","","","0.1232","0.1656","","","","","","1.025","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122043","11.8792","0.0002","17.618","0.0002","12.1326","0.0002","90","","112.627","0.001","90","","2343.76","0.06","223","2","223","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C49 H46 B F10 N O2 P2 Si -","- C49 H46 B F10 N O2 P2 Si -","- C98 H92 B2 F20 N2 O4 P4 Si2 -","2","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0535","0.0479","","","0.1024","0.1073","","","","","","1.056","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122044","12.9937","0.0003","21.4524","0.0005","17.7094","0.0004","90","","100.488","0.002","90","","4854","0.2","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H50 B F10 N O2 P2 Si -","- C51 H50 B F10 N O2 P2 Si -","- C204 H200 B4 F40 N4 O8 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0498","0.0432","","","0.1124","0.1173","","","","","","1.032","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122045","12.1747","0.0009","12.7333","0.0004","13.6728","0.0008","88.238","0.004","88.482","0.007","72.921","0.004","2024.8","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H37 B F10 N P Si -","- C42 H37 B F10 N P Si -","- C84 H74 B2 F20 N2 P2 Si2 -","2","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","1.54178","CuKα","","0.0542","0.044","","","0.1091","0.1171","","","","","","1.011","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122046","20.9782","0.0002","11.7319","0.0002","21.7537","0.0003","90","","115.971","0.001","90","","4813.23","0.12","223","2","223","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H47 B Cl2 F10 O P2 Si -","- C50 H47 B Cl2 F10 O P2 Si -","- C200 H188 B4 Cl8 F40 O4 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0966","0.068","","","0.136","0.1538","","","","","","1.119","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122047","13.994","0.0002","20.2817","0.0004","18.9835","0.0003","90","","109.897","0.002","90","","5066.31","0.16","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 B F10 O P2 Si -","- C54 H52 B F10 O P2 Si -","- C216 H208 B4 F40 O4 P8 Si4 -","4","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0653","0.0501","","","0.1108","0.1222","","","","","","1.09","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122048","10.5872","0.0001","11.9366","0.0002","20.6634","0.0004","76.427","0.001","89.214","0.001","66.986","0.001","2327.47","0.07","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H45 B F10 P2 S Si -","- C49 H45 B F10 P2 S Si -","- C98 H90 B2 F20 P4 S2 Si2 -","2","1","","Liedtke, René; Scheidt, Felix; Ren, Jinjun; Schirmer, Birgitta; Cardenas, Allan Jay P.; Daniliuc, Constantin G.; Eckert, Hellmut; Warren, Timothy H.; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Frustrated lewis pair modification by 1,1-carboboration: disclosure of a phosphine oxide triggered nitrogen monoxide addition to an intramolecular p/b frustrated lewis pair.","Journal of the American Chemical Society","2014","136","25","9014","9027","10.1021/ja5028293","","","0.71073","MoKα","","0.0615","0.0534","","","0.1284","0.1364","","","","","","1.082","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122049","9.8211","0.0004","15.0223","0.0006","17.9364","0.0007","100.453","0.0014","101.946","0.0016","96.728","0.0017","2512.85","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H86 N2 O2 Si2 -","- C54 H86 N2 O2 Si2 -","- C108 H172 N4 O4 Si4 -","2","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Aysin, Rinat R.; Leites, Larissa A.; Neudeck, Sven; Lübben, Jens; Dittrich, Birger; Holzmann, Nicole; Hermann, Markus; Frenking, Gernot","One-electron-mediated rearrangements of 2,3-disiladicarbene.","Journal of the American Chemical Society","2014","136","25","8919","8922","10.1021/ja504821u","","","1.54178","CuKα","","0.0441","0.0405","","","0.1062","0.1091","","","","","","1.066","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122050","12.0658","0.0006","23.2378","0.0012","17.4312","0.0009","90","","97.8342","0.0013","90","","4841.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H158 K2 N4 O4 Si4 -","- C102 H158 K2 N4 O4 Si4 -","- C204 H316 K4 N8 O8 Si8 -","2","0.5","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Aysin, Rinat R.; Leites, Larissa A.; Neudeck, Sven; Lübben, Jens; Dittrich, Birger; Holzmann, Nicole; Hermann, Markus; Frenking, Gernot","One-electron-mediated rearrangements of 2,3-disiladicarbene.","Journal of the American Chemical Society","2014","136","25","8919","8922","10.1021/ja504821u","","","1.54178","CuKα","","0.056","0.0473","","","0.1276","0.1364","","","","","","1.041","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122051","12.79","0.02","13.783","0.009","14.433","0.019","66.35","0.06","79.58","0.1","67.48","0.07","2152","5","23","2","23","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 N2 Si2 -","- C46 H70 N2 Si2 -","- C92 H140 N4 Si4 -","2","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Aysin, Rinat R.; Leites, Larissa A.; Neudeck, Sven; Lübben, Jens; Dittrich, Birger; Holzmann, Nicole; Hermann, Markus; Frenking, Gernot","One-electron-mediated rearrangements of 2,3-disiladicarbene.","Journal of the American Chemical Society","2014","136","25","8919","8922","10.1021/ja504821u","","","0.4769","synchrotron","","0.1285","0.0641","","","0.1418","0.1721","","","","","","1.035","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122052","9.07","0.0007","10.0886","0.0008","23.115","0.0018","90","","91.0402","0.0009","90","","2114.8","0.3","88","2","88","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","2","","Kou, Kevin G. M.; Le, Diane N.; Dong, Vy M.","Rh(I)-catalyzed intermolecular hydroacylation: enantioselective cross-coupling of aldehydes and ketoamides.","Journal of the American Chemical Society","2014","136","26","9471","9476","10.1021/ja504296x","","","0.71073","MoKα","","0.0368","0.0334","","","0.0844","0.0865","","","","","","1.054","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122053","43.3194","0.0012","16.5468","0.0004","26.151","0.0007","90","","126.807","0.001","90","","15008.3","0.7","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C150 H138 Au2 B2 Cl4 F54 N2 O2 P2 -","- C150 H138 Au2 B2 Cl4 F54 N2 O2 P2 -","- C600 H552 Au8 B8 Cl16 F216 N8 O8 P8 -","4","0.5","","Wang, Zhixun; Wang, Yanzhao; Zhang, Liming","Soft propargylic deprotonation: designed ligand enables au-catalyzed isomerization of alkynes to 1,3-dienes.","Journal of the American Chemical Society","2014","136","25","8887","8890","10.1021/ja503909c","","","0.71073","MoKα","","0.048","0.0327","","","0.0807","0.0928","","","","","","1.043","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122054","12.5918","0.0005","13.5842","0.0005","13.9675","0.0005","107.425","0.002","92.766","0.002","116.936","0.002","1984.13","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H56 Au Cl F3 N2 O P -","- C43 H56 Au Cl F3 N2 O P -","- C86 H112 Au2 Cl2 F6 N4 O2 P2 -","2","1","","Wang, Zhixun; Wang, Yanzhao; Zhang, Liming","Soft propargylic deprotonation: designed ligand enables au-catalyzed isomerization of alkynes to 1,3-dienes.","Journal of the American Chemical Society","2014","136","25","8887","8890","10.1021/ja503909c","","","0.71073","MoKα","","0.0376","0.0284","","","0.0539","0.0565","","","","","","0.987","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122055","16.735","0.0008","9.6686","0.0005","16.2668","0.0007","90","","93.017","0.002","90","","2628.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Cl4 N2 O Pd -","- C23 H31 Cl4 N2 O Pd -","- C92 H124 Cl16 N8 O4 Pd4 -","4","1","","Broere, Daniël L J; de Bruin, Bas; Reek, Joost N. H.; Lutz, Martin; Dechert, Sebastian; van der Vlugt, Jarl Ivar","Intramolecular Redox-Active Ligand-to-Substrate Single-Electron Transfer: Radical Reactivity with a Palladium(II) Complex.","Journal of the American Chemical Society","2014","136","33","11574","11577","10.1021/ja502164f","","","0.71073","MoKα","","0.0318","0.0255","","","0.0619","0.0648","","","","","","1.03","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122056","9.0399","0.0005","9.7093","0.0005","23.0313","0.0013","98.706","0.005","90.011","0.005","117.738","0.004","1762.79","0.18","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H46 Cl Co N2 O1.5 Pd -","- C38 H46 Cl Co N2 O1.5 Pd -","- C76 H92 Cl2 Co2 N4 O3 Pd2 -","2","1","","Broere, Daniël L J; de Bruin, Bas; Reek, Joost N. H.; Lutz, Martin; Dechert, Sebastian; van der Vlugt, Jarl Ivar","Intramolecular Redox-Active Ligand-to-Substrate Single-Electron Transfer: Radical Reactivity with a Palladium(II) Complex.","Journal of the American Chemical Society","2014","136","33","11574","11577","10.1021/ja502164f","","","0.71073","MoKα","","0.063","0.0498","","","0.1214","0.1396","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122057","5.1028","0.0001","17.2111","0.0005","25.2391","0.0008","90","","90","","90","","2216.62","0.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 F6 N O5 -","- C21 H25 F6 N O5 -","- C84 H100 F24 N4 O20 -","4","1","","Xu, Yingjie; Kaneko, Keiichi; Kanai, Motomu; Shibasaki, Masakatsu; Matsunaga, Shigeki","Regiodivergent Kinetic Resolution of Terminal and Internal rac-Aziridines with Malonates under Dinuclear Schiff Base Catalysis.","Journal of the American Chemical Society","2014","136","25","9190","9194","10.1021/ja5039165","","","1.54187","CuKα","","0.1279","0.0496","","","0.0562","0.0721","","","","","","0.801","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122058","25.1348","0.0005","25.1348","0.0005","25.1011","0.0005","90","","90","","120","","13733.3","0.5","110","2","110","2","","","","","","","","5","P 65","P 65","170","","","","- C84 H100 F24 N4 O20 -","- C84 H100 F24 N4 O20 -","- C504 H600 F144 N24 O120 -","6","1","","Xu, Yingjie; Kaneko, Keiichi; Kanai, Motomu; Shibasaki, Masakatsu; Matsunaga, Shigeki","Regiodivergent Kinetic Resolution of Terminal and Internal rac-Aziridines with Malonates under Dinuclear Schiff Base Catalysis.","Journal of the American Chemical Society","2014","136","25","9190","9194","10.1021/ja5039165","","","1.54187","CuKα","","0.1111","0.0752","","","0.1849","0.2331","","","","","","1.099","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122059","9.5211","0.0002","19.4189","0.0004","10.1228","0.0002","90","","96.4133","0.001","90","","1859.88","0.07","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl N O3 S -","- C19 H20 Cl N O3 S -","- C76 H80 Cl4 N4 O12 S4 -","4","2","","Ebe, Yusuke; Nishimura, Takahiro","Iridium-catalyzed annulation of salicylimines with 1,3-dienes.","Journal of the American Chemical Society","2014","136","26","9284","9287","10.1021/ja504990a","","","1.54187","CuKα","","0.0804","0.0589","","","0.13","0.1451","","","","","","0.972","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122060","30.209","0.003","43.725","0.004","53.802","0.005","71.624","0.005","86.963","0.006","76.89","0.005","65672","11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C470 H396 Cd12 F144 N73 O4 P23 S2 -","- C470 H396 Cd12 F73.875 N73 O4 P12 S2 -","- C1880 H1584 Cd48 F295.5 N292 O16 P48 S8 -","4","2","","Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R.","Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures.","Journal of the American Chemical Society","2014","136","26","9491","9498","10.1021/ja504748g","","","1.54178","CuKα","","0.1898","0.1587","","","0.4192","0.4374","","","","","","1.499","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122061","90.44","0.006","30.343","0.002","48.451","0.004","90","","103.24","0.002","90","","129426","16","130","2","130","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C472 H396 As22 Cd12 F144 N74 O8 S4 -","- C471.25 H396 As17 Cd12 F111.25 N73.5 O6 S3.232 -","- C3770 H3168 As136 Cd96 F890 N588 O48 S25.856 -","8","1","","Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R.","Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures.","Journal of the American Chemical Society","2014","136","26","9491","9498","10.1021/ja504748g","","","1.54178","CuKα","","0.1495","0.1272","","","0.346","0.3725","","","","","","1.434","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122062","80.943","0.009","26.679","0.003","45.354","0.005","90","","108.199","0.005","90","","93042","18","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C393 H335.5 Cd10 Cl19 F2 N61.5 O76 -","- C393 H335.06 Cd10 Cl14.5 F2 N61.5 O58 -","- C3144 H2680.48 Cd80 Cl116 F16 N492 O464 -","8","1","","Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R.","Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures.","Journal of the American Chemical Society","2014","136","26","9491","9498","10.1021/ja504748g","","","0.6889","synchrotron","","0.1746","0.1226","","","0.3315","0.3524","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122063","42.0604","0.0017","25.907","0.0011","41.977","0.002","90","","90.464","0.002","90","","45739","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C332 H294 Cd8 Cl16 N58 O64 -","- C332 H294 Cd8 Cl12.5 N58 O50.05 -","- C1328 H1176 Cd32 Cl50 N232 O200.2 -","4","1","","Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R.","Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures.","Journal of the American Chemical Society","2014","136","26","9491","9498","10.1021/ja504748g","","","0.6889","synchrotron","","0.1338","0.1087","","","0.3111","0.3354","","","","","","1.107","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122064","18.038","0.004","22.427","0.005","26.77","0.005","91.08","0.03","108.97","0.03","95.93","0.03","10171","4","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C150 H119 As4.88 F38.62 Fe4 N26 O9.88 S3.12 -","- C150 H119 As4.875 F29.25 Fe4 N26 O0.5 -","- C300 H238 As9.75 F58.5 Fe8 N52 O -","2","1","","Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R.","Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures.","Journal of the American Chemical Society","2014","136","26","9491","9498","10.1021/ja504748g","","","0.71073","MoKα","","0.2071","0.1402","","","0.3626","0.3926","","","","","","1.174","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122065","12.2745","0.0005","16.2308","0.0006","16.6941","0.0007","62.182","0.002","75.337","0.002","79.711","0.002","2838.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Co(S2PhBr2)2","","","- C56 H32 Br8 Co2 S8 -","- C56 H32 Br8 Co2 S8 -","- C112 H64 Br16 Co4 S16 -","2","1","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.1134","0.0657","","","0.1271","0.1476","","","","","","1.137","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122066","10.5253","0.0006","11.737","0.0006","16.2361","0.0009","106.109","0.002","106.605","0.002","91.902","0.002","1832.79","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H68 Br8 Co2 N S8 -","- C72 H68 Br8 Co2 N S8 -","- C72 H68 Br8 Co2 N S8 -","1","0.5","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.0574","0.035","","","0.0662","0.0731","","","","","","1.034","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122067","8.9456","0.0005","17.3494","0.0011","18.658","0.0012","112.136","0.003","103.601","0.003","93.658","0.003","2569.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H60 Br4 Co N O1.5 S4 -","- C50 H60 Br4 Co N O1.5 S4 -","- C100 H120 Br8 Co2 N2 O3 S8 -","2","1","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.045","0.0345","","","0.0771","0.0819","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122068","17.0015","0.001","20.7933","0.0011","18.611","0.0009","90","","108.792","0.003","90","","6228.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H88 Br4 Co N2 S4 -","- C60 H88 Br4 Co N2 S4 -","- C240 H352 Br16 Co4 N8 S16 -","4","1","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.1157","0.0524","","","0.0994","0.119","","","","","","1.016","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122069","35.357","0.002","5.8724","0.0004","18.3834","0.0016","90","","120.376","0.008","90","","3293","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Co F4 K2 N2 S4 -","- C32 H22 Co F4 K2 N2 S4 -","- C128 H88 Co4 F16 K8 N8 S16 -","4","0.5","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.0453","0.033","","","0.0686","0.074","","","","","","1.058","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122070","8.1573","0.0003","13.882","0.0005","14.4088","0.0005","85.314","0.002","87.963","0.002","77.283","0.002","1586.04","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H88 Co F4 N2 S4 -","- C60 H88 Co F4 N2 S4 -","- C60 H88 Co F4 N2 S4 -","1","0.5","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.0488","0.042","","","0.1081","0.1121","","","","","","1.022","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122071","9.1467","0.0006","9.7853","0.0006","53.773","0.003","90","","93.581","0.001","90","","4803.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 Co N O4 S4 -","- C48 H64 Co N O4 S4 -","- C192 H256 Co4 N4 O16 S16 -","4","1","","Letko, Christopher S.; Panetier, Julien A.; Head-Gordon, Martin; Tilley, T. Don","Mechanism of the electrocatalytic reduction of protons with diaryldithiolene cobalt complexes.","Journal of the American Chemical Society","2014","136","26","9364","9376","10.1021/ja5019755","","","0.71073","MoKα","","0.0769","0.0629","","","0.1384","0.1444","","","","","","1.04","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122072","12.3089","0.0003","21.3544","0.0005","15.6623","0.0004","90","","92.315","0.001","90","","4113.46","0.17","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Co4 H52 K10 O94 V2 W18 -","- Co4 H4 K10 O94 V2 W18 -","- Co8 H8 K20 O188 V4 W36 -","2","0.5","","Lv, Hongjin; Song, Jie; Geletii, Yurii V.; Vickers, James W.; Sumliner, Jordan M.; Musaev, Djamaladdin G.; Kögerler, Paul; Zhuk, Petro F.; Bacsa, John; Zhu, Guibo; Hill, Craig L.","An exceptionally fast homogeneous carbon-free cobalt-based water oxidation catalyst.","Journal of the American Chemical Society","2014","136","26","9268","9271","10.1021/ja5045488","","","0.71073","MoKα","","0.0272","0.0243","","","0.059","0.0604","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122073","8.7807","0.0014","29.348","0.005","15.246","0.003","90","","99.83","0.003","90","","3871.2","1.2","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 Al Li O2 Si2 -","- C36 H66 Al Li O2 Si2 -","- C144 H264 Al4 Li4 O8 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.0815","0.0601","","","0.1368","0.1503","","","","","","1.067","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122074","13.009","0.003","28.949","0.006","13.956","0.003","90","","108.554","0.003","90","","4982.6","1.9","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H86 Al Li O6 Si2 -","- C44 H86 Al Li O6 Si2 -","- C176 H344 Al4 Li4 O24 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.0937","0.0683","","","0.1438","0.1646","","","","","","1.139","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122075","12.9728","0.0019","34.25","0.006","15.554","0.002","90","","90","","90","","6910.9","1.8","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H55 Al2 Cl3 Si2 -","- C27 H55 Al2 Cl3 Si2 -","- C216 H440 Al16 Cl24 Si16 -","8","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.0698","0.0544","","","0.1087","0.1157","","","","","","1.117","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122076","14.153","0.002","13.6408","0.0019","17.227","0.003","90","","112.442","0.0017","90","","3073.9","0.8","113.15","","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H51 Al Cl N Si2 -","- C28 H51 Al Cl N Si2 -","- C112 H204 Al4 Cl4 N4 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.0485","0.0412","","","0.096","0.1009","","","","","","1.122","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122077","13.647","0.002","14.003","0.003","15.254","0.003","89.876","0.009","64.988","0.004","86.602","0.009","2636.2","0.9","93.15","","93.15","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H88 Al Li N4 O Si2 -","- C52 H88 Al Li N4 O Si2 -","- C104 H176 Al2 Li2 N8 O2 Si4 -","2","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.1202","0.0774","","","0.1733","0.2041","","","","","","1.074","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122078","15.492","0.003","14.104","0.002","18.855","0.003","90","","100.533","0.003","90","","4050.4","1.2","93.15","","93.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H69 Al N2 Si2 -","- C40 H69 Al N2 Si2 -","- C160 H276 Al4 N8 Si8 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.1008","0.0782","","","0.1983","0.2172","","","","","","1.111","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122079","16.384","0.004","13.579","0.003","20.445","0.005","90","","106.926","0.004","90","","4351.5","1.8","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Fe K N2 O8 S2 -","- C12 H26 Fe K N2 O8 S2 -","- C96 H208 Fe8 K8 N16 O64 S16 -","8","1","","Tsou, Chih-Chin; Chiu, Wei-Chun; Ke, Chun-Hung; Tsai, Jia-Chun; Wang, Yun-Ming; Chiang, Ming-Hsi; Liaw, Wen-Feng","Iron(III) Bound by Hydrosulfide Anion Ligands: NO-Promoted Stabilization of the [Fe(III)-SH] Motif.","Journal of the American Chemical Society","2014","136","26","9424","9433","10.1021/ja503683y","","","0.71073","MoKα","","0.0868","0.0432","","","0.1043","0.1307","","","","","","0.864","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122080","34.5442","0.0008","9.0153","0.0002","22.9192","0.0005","90","","95.511","0.001","90","","7104.7","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Fe N3 O2 P2 S2 -","- C36 H32 Fe N3 O2 P2 S2 -","- C288 H256 Fe8 N24 O16 P16 S16 -","8","1","","Tsou, Chih-Chin; Chiu, Wei-Chun; Ke, Chun-Hung; Tsai, Jia-Chun; Wang, Yun-Ming; Chiang, Ming-Hsi; Liaw, Wen-Feng","Iron(III) Bound by Hydrosulfide Anion Ligands: NO-Promoted Stabilization of the [Fe(III)-SH] Motif.","Journal of the American Chemical Society","2014","136","26","9424","9433","10.1021/ja503683y","","","0.71073","MoKα","","0.0704","0.0522","","","0.1523","0.1746","","","","","","1.103","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122081","21.6622","0.0006","13.1205","0.0004","23.844","0.0007","90","","103.024","0.001","90","","6602.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H62 Fe2 N4 O2 P4 S4 -","- C72 H62 Fe2 N4 O2 P4 S4 -","- C288 H248 Fe8 N16 O8 P16 S16 -","4","1","","Tsou, Chih-Chin; Chiu, Wei-Chun; Ke, Chun-Hung; Tsai, Jia-Chun; Wang, Yun-Ming; Chiang, Ming-Hsi; Liaw, Wen-Feng","Iron(III) Bound by Hydrosulfide Anion Ligands: NO-Promoted Stabilization of the [Fe(III)-SH] Motif.","Journal of the American Chemical Society","2014","136","26","9424","9433","10.1021/ja503683y","","","0.71073","MoKα","","0.0476","0.0342","","","0.0856","0.0928","","","","","","1.014","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122082","21.6245","0.0011","13.2431","0.0007","23.8643","0.0011","90","","102.949","0.0012","90","","6660.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Fe N P2 S3 -","- C36 H32 Fe N P2 S3 -","- C288 H256 Fe8 N8 P16 S24 -","8","2","","Tsou, Chih-Chin; Chiu, Wei-Chun; Ke, Chun-Hung; Tsai, Jia-Chun; Wang, Yun-Ming; Chiang, Ming-Hsi; Liaw, Wen-Feng","Iron(III) Bound by Hydrosulfide Anion Ligands: NO-Promoted Stabilization of the [Fe(III)-SH] Motif.","Journal of the American Chemical Society","2014","136","26","9424","9433","10.1021/ja503683y","","","0.71073","MoKα","","0.0724","0.0406","","","0.0857","0.0972","","","","","","1","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122083","33.628","0.013","15.646","0.006","17.339","0.005","90","","113.81","0.013","90","","8346","5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 Cl Cr O2 P2 Rh -","- C48 H42 Cl Cr O2 P2 Rh -","- C384 H336 Cl8 Cr8 O16 P16 Rh8 -","8","1","","Ogasawara, Masamichi; Tseng, Ya-Yi; Arae, Sachie; Morita, Tomotaka; Nakaya, Takeshi; Wu, Wei-Yi; Takahashi, Tamotsu; Kamikawa, Ken","Phosphine-Olefin Ligands Based on a Planar-Chiral (π-Arene)chromium Scaffold: Design, Synthesis, and Application in Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","26","9377","9384","10.1021/ja503060e","","","0.71075","MoKα","","0.1332","0.0572","","","0.1407","0.1813","","","","","","0.969","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122084","13.7952","0.0018","13.7952","0.0018","15.095","0.003","90","","90","","90","","2872.7","0.8","33","2","33","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C120 H120 B2 F8 N16 O16 Ru4 -","2","0.125","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.1359","0.1222","","","0.2218","0.2291","","","","","","1.93","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122085","13.6662","0.0011","13.6662","0.0011","15.052","0.002","90","","90","","90","","2811.2","0.5","100","2","100","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C120 H120 B2 F8 N16 O16 Ru4 -","2","0.125","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.11","0.0983","","","0.2062","0.2123","","","","","","1.778","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122086","13.7952","0.0018","13.7952","0.0018","15.095","0.003","90","","90","","90","","2872.7","0.8","213","2","213","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","Ru2(m-DAniF)4BF4","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C120 H120 B2 F8 N16 O16 Ru4 -","2","0.125","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0807","0.0719","","","0.1649","0.1697","","","","","","1.397","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122087","13.8927","0.0005","13.8927","0.0005","15.0744","0.0011","90","","90","","90","","2909.5","0.3","298","2","298","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C120 H120 B2 F8 N16 O16 Ru4 -","2","0.125","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0608","0.0541","","","0.1408","0.1452","","","","","","1.721","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122088","34.572","0.006","12.945","0.002","12.682","0.002","90","","90","","90","","5675.6","1.6","27","2","27","2","","","","","","","","7","P n a 21","P 2c -2n","33","Ru2(p-DAniF)4(BF)4","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C240 H240 B4 F16 N32 O32 Ru8 -","4","1","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0818","0.0595","","","0.1272","0.1353","","","","","","1.873","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122089","34.973","0.008","13.011","0.003","12.766","0.003","90","","90","","90","","5809","2","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","Ru2(p-DAniF)4(BF)4","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C240 H240 B4 F16 N32 O32 Ru8 -","4","1","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0623","0.039","","","0.0823","0.0926","","","","","","1.202","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122090","34.973","0.008","13.011","0.003","12.766","0.003","90","","90","","90","","5809","2","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","Ru2(p-DAniF)4(BF)4","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C240 H240 B4 F16 N32 O32 Ru8 -","4","1","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0853","0.0441","","","0.0848","0.1007","","","","","","1.144","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122091","5.9971","0.0015","9.656","0.002","13.868","0.003","101.487","0.005","101.758","0.005","93.65","0.005","765.9","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C38 H44 O4 -","2","1","","Blaisdell, Thomas P.; Caya, Thomas C.; Zhang, Liang; Sanz-Marco, Amparo; Morken, James P.","Hydroxyl-directed stereoselective diboration of alkenes.","Journal of the American Chemical Society","2014","136","26","9264","9267","10.1021/ja504228p","","","0.71073","MoKα","","0.1142","0.0563","","","0.1102","0.1303","","","","","","1.034","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122092","7.8788","0.0004","16.7537","0.0009","25.9266","0.0013","90","","90","","90","","3422.3","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N-diethyl-4-(4-methylstyryl)benzamide","","- C20 H23 N O -","- C20 H22 N O -","- C160 H176 N8 O8 -","8","2","","Iwasaki, Takanori; Miyata, Yoshinori; Akimoto, Ryo; Fujii, Yuuki; Kuniyasu, Hitoshi; Kambe, Nobuaki","Diarylrhodates as promising active catalysts for the arylation of vinyl ethers with grignard reagents.","Journal of the American Chemical Society","2014","136","26","9260","9263","10.1021/ja5043534","","x-ray","1.54187","CuKα","","","0.096","","","","0.3222","","","","","","1.026","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122093","15.564","0.004","16.3801","0.0016","13.74","0.008","90","","109.64","0.04","90","","3299","2","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","RhPh2(cod) Li(dme)3","tris(1,2-dimethoxyethane)lithium (h4-1,5-cyclooctadiene)diphenylrhodate(I)","","- C32 H52 Li O6 Rh -","- C32 H44 Li O6 Rh -","- C128 H176 Li4 O24 Rh4 -","4","0.5","","Iwasaki, Takanori; Miyata, Yoshinori; Akimoto, Ryo; Fujii, Yuuki; Kuniyasu, Hitoshi; Kambe, Nobuaki","Diarylrhodates as promising active catalysts for the arylation of vinyl ethers with grignard reagents.","Journal of the American Chemical Society","2014","136","26","9260","9263","10.1021/ja5043534","","","0.71075","MoKα","","","0.0603","","","","0.1416","","","","","","1.004","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122094","8.5537","0.001","31.875","0.003","10.6466","0.0012","90","","90.014","0.002","90","","2902.8","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C9 H41 Cl Co La N3 O24 P3 -","- C9 H41 Cl Co La N3 O24 P3 -","- C36 H164 Cl4 Co4 La4 N12 O96 P12 -","4","1","","Bao, Song-Song; Otsubo, Kazuya; Taylor, Jared M.; Jiang, Zheng; Zheng, Li-Min; Kitagawa, Hiroshi","Enhancing Proton Conduction in 2D Co-La Coordination Frameworks by Solid-State Phase Transition.","Journal of the American Chemical Society","2014","136","26","9292","9295","10.1021/ja505916c","","","0.71073","MoKα","","0.0474","0.0349","","","0.078","0.082","","","","","","1","","","","has coordinates,has disorder","179022","2020-10-21","18:00:00",""
"4122095","14.8972","0.0006","16.7644","0.0008","37.8928","0.0016","90","","91.327","0.004","90","","9460.9","0.7","179.98","0.16","179.98","0.16","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H11.5 F20 N6 O4 Zn -","- C49.5 H11.5 F20 N6 O4 Zn -","- C396 H92 F160 N48 O32 Zn8 -","8","1","","Ke, Xian-Sheng; Chang, Yi; Chen, Jia-Zhen; Tian, Jiangwei; Mack, John; Cheng, Xin; Shen, Zhen; Zhang, Jun-Long","Porphodilactones as Synthetic Chlorophylls: Relative Orientation of β-Substituents on a Pyrrolic Ring Tunes NIR Absorption.","Journal of the American Chemical Society","2014","136","27","9598","9607","10.1021/ja502729x","","","0.71073","MoKα","","0.1126","0.0802","","","0.2278","0.2551","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122096","11.871","0.002","13.856","0.003","17.697","0.004","100.09","0.03","107.95","0.03","97.64","0.03","2671.5","1.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.5 H18 F20 N6 O5.5 Zn -","- C52.5 H14 F20 N6 O5.5 Zn -","- C105 H28 F40 N12 O11 Zn2 -","2","1","","Ke, Xian-Sheng; Chang, Yi; Chen, Jia-Zhen; Tian, Jiangwei; Mack, John; Cheng, Xin; Shen, Zhen; Zhang, Jun-Long","Porphodilactones as Synthetic Chlorophylls: Relative Orientation of β-Substituents on a Pyrrolic Ring Tunes NIR Absorption.","Journal of the American Chemical Society","2014","136","27","9598","9607","10.1021/ja502729x","","","0.71073","synchrotron","","0.0721","0.0672","","","0.2108","0.2162","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122097","12.5589","0.0003","14.6629","0.0005","20.7661","0.0005","96.7468","0.0012","101.435","0.0008","96.4981","0.0012","3685.45","0.18","173.1","","173.1","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Mo2 N12 P4 -","- C64 H107 Mo2 N12 P4 -","- C128 H214 Mo4 N24 P8 -","2","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.","Journal of the American Chemical Society","2014","136","27","9719","9731","10.1021/ja5044243","","","0.71075","MoKα","","","0.0527","","","","0.1241","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122098","14.832","0.003","15.833","0.003","17.039","0.003","95.687","0.004","114.83","0.004","106.543","0.004","3369.4","1.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H102 Mo2 N12 P4 -","- C57 H102 Mo2 N12 P4 -","- C114 H204 Mo4 N24 P8 -","2","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.","Journal of the American Chemical Society","2014","136","27","9719","9731","10.1021/ja5044243","","","0.71075","MoKα","","","0.046","","","","0.0964","","","","","","1.012","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122099","24.7796","0.0009","21.6001","0.0009","13.6238","0.0006","90","","103.738","0.001","90","","7083.4","0.5","173.1","","173.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H118 Mo2 N12 P4 -","- C60 H118 Mo2 N12 P4 -","- C240 H472 Mo8 N48 P16 -","4","0.5","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.","Journal of the American Chemical Society","2014","136","27","9719","9731","10.1021/ja5044243","","","0.71075","MoKα","","","0.042","","","","0.1031","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122100","31.2829","0.0012","10.0768","0.0004","21.9085","0.0007","90","","111.716","0.0009","90","","6416.1","0.4","183","","183","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H104 Mo2 N12 O2 P4 -","- C54 H90 Mo2 N12 O2 P4 -","- C216 H360 Mo8 N48 O8 P16 -","4","0.5","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.","Journal of the American Chemical Society","2014","136","27","9719","9731","10.1021/ja5044243","","","0.71075","MoKα","","","0.0719","","","","0.0888","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122101","13.2161","0.0006","14.3784","0.0008","15.8066","0.0007","90","","90","","90","","3003.7","0.3","173.1","","173.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H45 Cl3 Mo N P2 -","- C24 H45 Cl3 Mo N P2 -","- C96 H180 Cl12 Mo4 N4 P8 -","4","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.","Journal of the American Chemical Society","2014","136","27","9719","9731","10.1021/ja5044243","","","0.71075","MoKα","","","0.0273","","","","0.0743","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122102","17.0832","0.0003","26.3313","0.0005","30.349","0.0005","90","","90","","90","","13651.7","0.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C103 H176 Cr7 F3 N2 O38 Zn -","- C103 H176 Cr7 F3 N2 O38 Zn -","- C412 H704 Cr28 F12 N8 O152 Zn4 -","4","1","","Garlatti, Elena; Albring, Morten A.; Baker, Michael L.; Docherty, Rebecca J.; Mutka, Hannu; Guidi, Tatiana; Garcia Sakai, Victoria; Whitehead, George F. S.; Pritchard, Robin G.; Timco, Grigore A.; Tuna, Floriana; Amoretti, Giuseppe; Carretta, Stefano; Santini, Paolo; Lorusso, Giulia; Affronte, Marco; McInnes, Eric J. L.; Collison, David; Winpenny, Richard E. P.","A Detailed Study of the Magnetism of Chiral {Cr7M} Rings: An Investigation into Parametrization and Transferability of Parameters.","Journal of the American Chemical Society","2014","136","27","9763","9772","10.1021/ja5047445","","","1.54178","CuKα","","0.0629","0.0495","","","0.1192","0.1267","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122103","17.1445","0.0003","26.2806","0.0004","30.3604","0.0003","90","","90","","90","","13679.4","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C103 H176 Cr7 F3 Mn N2 O38 -","- C103 H176 Cr7 F3 Mn N2 O38 -","- C412 H704 Cr28 F12 Mn4 N8 O152 -","4","1","","Garlatti, Elena; Albring, Morten A.; Baker, Michael L.; Docherty, Rebecca J.; Mutka, Hannu; Guidi, Tatiana; Garcia Sakai, Victoria; Whitehead, George F. S.; Pritchard, Robin G.; Timco, Grigore A.; Tuna, Floriana; Amoretti, Giuseppe; Carretta, Stefano; Santini, Paolo; Lorusso, Giulia; Affronte, Marco; McInnes, Eric J. L.; Collison, David; Winpenny, Richard E. P.","A Detailed Study of the Magnetism of Chiral {Cr7M} Rings: An Investigation into Parametrization and Transferability of Parameters.","Journal of the American Chemical Society","2014","136","27","9763","9772","10.1021/ja5047445","","x-ray","1.54178","CuKα","","0.0716","0.0561","","","0.1361","0.1447","","","","","","1.027","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122104","9.25","0.003","10.658","0.01","12.088","0.009","100.23","0.05","99.97","0.03","91.24","0.04","1153.4","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Tetrachlorodisilene stabilized by cAAC","","","- C46 H70 Cl4 N2 Si2 -","- C46 H70 Cl4 N2 Si2 -","- C46 H70 Cl4 N2 Si2 -","1","0.5","","Mondal, Kartik Chandra; Dittrich, Birger; Maity, Bholanath; Koley, Debasis; Roesky, Herbert W.","Cyclic Alkyl(amino) Carbene Stabilized Biradical of Disilicontetrachloride.","Journal of the American Chemical Society","2014","136","27","9568","9571","10.1021/ja505817u","","","0.7293","","","0.0621","0.0598","","","0.2236","0.2245","","","","","","1.143","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122105","10.969","0.004","11.499","0.004","19.311","0.007","90","","97.829","0.004","90","","2413","1.5","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 Cl F20 Sb -","- C24 Cl F20 Sb -","- C96 Cl4 F80 Sb4 -","4","1","","Pan, Baofei; Gabbaï, François P","[Sb(C6F5)4][B(C6F5)4]: An Air Stable, Lewis Acidic Stibonium Salt That Activates Strong Element-Fluorine Bonds.","Journal of the American Chemical Society","2014","136","27","9564","9567","10.1021/ja505214m","","","0.71073","MoKα","","0.0518","0.0356","","","0.0739","0.0813","","","","","","1.005","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122106","17.66","0.002","20.429","0.003","15.602","0.002","90","","93.314","0.002","90","","5619.4","1.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 F23 O3 S Sb -","- C25 F23 O3 S Sb -","- C200 F184 O24 S8 Sb8 -","8","2","","Pan, Baofei; Gabbaï, François P","[Sb(C6F5)4][B(C6F5)4]: An Air Stable, Lewis Acidic Stibonium Salt That Activates Strong Element-Fluorine Bonds.","Journal of the American Chemical Society","2014","136","27","9564","9567","10.1021/ja505214m","","","0.71073","MoKα","","0.0509","0.0388","","","0.1202","0.1363","","","","","","1.04","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122107","16.836","0.003","16.836","0.003","8.201","0.003","90","","90","","90","","2324.6","1","110","2","110","2","","","","","","","","4","I -4","I -4","82","","","","- C48 B F40 Sb -","- C48 B F40 Sb -","- C96 B2 F80 Sb2 -","2","0.25","","Pan, Baofei; Gabbaï, François P","[Sb(C6F5)4][B(C6F5)4]: An Air Stable, Lewis Acidic Stibonium Salt That Activates Strong Element-Fluorine Bonds.","Journal of the American Chemical Society","2014","136","27","9564","9567","10.1021/ja505214m","","","0.71073","MoKα","","0.0279","0.0259","","","0.0583","0.0598","","","","","","1.015","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4122108","8.25345","0.00018","7.57776","0.00017","17.1862","0.0003","90","","94.4721","0.0018","90","","1071.6","0.04","110","2","110","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C8 H6 Cl2 Cu I N -","- C8 H6 Cl2 Cu I N -","- C32 H24 Cl8 Cu4 I4 N4 -","4","1","","Pitts, Cody Ross; Bloom, Steven; Woltornist, Ryan; Auvenshine, Dillon Jay; Ryzhkov, Lev R.; Siegler, Maxime A.; Lectka, Thomas","Direct, Catalytic Monofluorination of sp(3) C-H Bonds: A Radical-Based Mechanism with Ionic Selectivity.","Journal of the American Chemical Society","2014","136","27","9780","9791","10.1021/ja505136j","","","0.71073","MoKα","","0.0186","0.0167","","","0.0389","0.0398","","","","","","1.051","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122109","13.5202","0.0002","35.6701","0.0004","17.4181","0.0002","90","","110.741","0.001","90","","7855.76","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H82 Al3 Br9 Cl2 N8 -","- C63 H82 Al3 Br9 Cl2 N8 -","- C252 H328 Al12 Br36 Cl8 N32 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","1.54178","CuKα","","0.0595","0.0513","","","0.115","0.1213","","","","","","1.173","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122110","14.5976","0.0002","15.2398","0.0002","23.99","0.0003","90","","100.199","0.001","90","","5252.59","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H72 Al Br Fe N4 O8 -","- C51 H72 Al Br Fe N4 O8 -","- C204 H288 Al4 Br4 Fe4 N16 O32 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","1.54178","CuKα","","0.0737","0.0582","","","0.166","0.1779","","","","","","1.113","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122111","22.8641","0.0002","8.5709","0.0001","26.0274","0.0002","90","","90","","90","","5100.48","0.08","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C51 H55 Al Fe N4 O8 -","- C51 H55 Al Fe N4 O8 -","- C204 H220 Al4 Fe4 N16 O32 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","1.54178","CuKα","","0.0573","0.0539","","","0.1378","0.1415","","","","","","0.849","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122112","15.7084","0.0005","12.9298","0.0004","20.6112","0.0008","90","","106.683","0.004","90","","4010.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 Cl7 Ga N4 -","- C33 H44 Cl7 Ga N4 -","- C132 H176 Cl28 Ga4 N16 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","0.71073","MoKα","","0.0815","0.0547","","","0.0953","0.104","","","","","","1.05","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122113","17.1454","0.0001","16.9499","0.0001","16.2514","0.0001","90","","107.154","0.001","90","","4512.77","0.05","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C47 H50 B0 Cl F2 Fe Ga N4 O4 -","- C47 H50 Cl F2 Fe Ga N4 O4 -","- C188 H200 Cl4 F8 Fe4 Ga4 N16 O16 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","1.54178","CuKα","","0.0331","0.031","","","0.0864","0.0897","","","","","","1.033","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122114","18.2078","0.0004","15.612","0.0003","15.6949","0.0004","90","","106.429","0.002","90","","4279.28","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H57 Fe Ga N4 O6 -","- C43 H57 Fe Ga N4 O6 -","- C172 H228 Fe4 Ga4 N16 O24 -","4","1","","Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias","An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies.","Journal of the American Chemical Society","2014","136","27","9732","9742","10.1021/ja504448v","","","1.54178","CuKα","","0.1146","0.0762","","","0.1944","0.2299","","","","","","1.06","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122115","10.5213","0.0002","13.7538","0.0003","20.8719","0.0004","90","","101.581","0.002","90","","2958.84","0.1","123","2","123.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 B10 N O2 Pt S -","- C25 H35 B10 N O2 Pt S -","- C100 H140 B40 N4 O8 Pt4 S4 -","4","1","","Prokhorov, Anton M.; Hofbeck, Thomas; Czerwieniec, Rafal; Suleymanova, Alfiya F.; Kozhevnikov, Dmitry N.; Yersin, Hartmut","Brightly Luminescent Pt(II) Pincer Complexes with a Sterically Demanding Carboranyl-Phenylpyridine Ligand: A New Material Class for Diverse Optoelectronic Applications.","Journal of the American Chemical Society","2014","136","27","9637","9642","10.1021/ja503220w","","","1.54184","CuKα","","0.0499","0.0457","","","0.1196","0.1236","","","","","","1.065","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122129","11.7831","0.0005","9.6543","0.0004","17.6007","0.0007","90","","96.297","0.002","90","","1990.13","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Theunissen, Cédric; Métayer, Benoît; Henry, Nicolas; Compain, Guillaume; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Keteniminium ion-initiated cascade cationic polycyclization.","Journal of the American Chemical Society","2014","136","36","12528","12531","10.1021/ja504818p","","","0.71073","MoKα","","0.0526","0.0416","","","0.1183","0.1294","","","","","","1.053","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122130","11.0053","0.0015","10.9876","0.0014","16.699","0.002","90","","107.056","0.006","90","","1930.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Theunissen, Cédric; Métayer, Benoît; Henry, Nicolas; Compain, Guillaume; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Keteniminium ion-initiated cascade cationic polycyclization.","Journal of the American Chemical Society","2014","136","36","12528","12531","10.1021/ja504818p","","","0.71073","MoKα","","0.0409","0.0344","","","0.0933","0.0984","","","","","","1.06","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122131","5.3653","0.0012","15.987","0.003","8.8569","0.0018","90","","99.018","0.009","90","","750.3","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","","Theunissen, Cédric; Métayer, Benoît; Henry, Nicolas; Compain, Guillaume; Marrot, Jérome; Martin-Mingot, Agnès; Thibaudeau, Sébastien; Evano, Gwilherm","Keteniminium ion-initiated cascade cationic polycyclization.","Journal of the American Chemical Society","2014","136","36","12528","12531","10.1021/ja504818p","","","0.71073","MoKα","","0.1039","0.0943","","","0.2378","0.2459","","","","","","1.199","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122132","15.4235","0.0002","17.2123","0.0002","27.4854","0.0003","90","","101.153","0.001","90","","7158.85","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H27 Au3 N6 S3 -","- C39 H27 Au3 N6 S3 -","- C312 H216 Au24 N48 S24 -","8","2","","Ni, Wen-Xiu; Qiu, Yu-Min; Li, Mian; Zheng, Ji; Sun, Raymond Wai-Yin; Zhan, Shun-Ze; Ng, Seik Weng; Li, Dan","Metallophilicity-driven dynamic aggregation of a phosphorescent gold(i)-silver(i) cluster prepared by solution-based and mechanochemical approaches.","Journal of the American Chemical Society","2014","136","27","9532","9535","10.1021/ja5025113","","","0.71073","MoKα","","0.0639","0.0456","","","0.0886","0.0956","","","","","","1.087","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122133","22.1206","0.0005","15.0301","0.0003","21.6928","0.0004","90","","101.893","0.002","90","","7057.5","0.3","100","2","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H27 Au3 N6 S3 -","- C39 H27 Au3 N6 S3 -","- C312 H216 Au24 N48 S24 -","8","1","","Ni, Wen-Xiu; Qiu, Yu-Min; Li, Mian; Zheng, Ji; Sun, Raymond Wai-Yin; Zhan, Shun-Ze; Ng, Seik Weng; Li, Dan","Metallophilicity-driven dynamic aggregation of a phosphorescent gold(i)-silver(i) cluster prepared by solution-based and mechanochemical approaches.","Journal of the American Chemical Society","2014","136","27","9532","9535","10.1021/ja5025113","","","0.7107","MoKα","","0.0851","0.0586","","","0.1358","0.1529","","","","","","1.031","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122134","16.1998","0.0005","17.4168","0.0005","19.4389","0.0006","65.66","0.003","70.6","0.003","63.329","0.003","4391.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C82 H62 Ag Au6 Cl8 F6 N12 P S6 -","- C82 H62 Ag Au6 Cl8 F6 N12 P S6 -","- C164 H124 Ag2 Au12 Cl16 F12 N24 P2 S12 -","2","1","","Ni, Wen-Xiu; Qiu, Yu-Min; Li, Mian; Zheng, Ji; Sun, Raymond Wai-Yin; Zhan, Shun-Ze; Ng, Seik Weng; Li, Dan","Metallophilicity-driven dynamic aggregation of a phosphorescent gold(i)-silver(i) cluster prepared by solution-based and mechanochemical approaches.","Journal of the American Chemical Society","2014","136","27","9532","9535","10.1021/ja5025113","","","0.71073","MoKα","","0.0869","0.055","","","0.1235","0.142","","","","","","1.032","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122135","19.55","0.003","25.687","0.004","24.744","0.004","90","","98.171","0.002","90","","12300","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H96 Mo2 N26 O12 V3 -","- C124 H96 Mo2 N26 O12 V3 -","- C496 H384 Mo8 N104 O48 V12 -","4","1","","Pinkowicz, Dawid; Southerland, Heather; Wang, Xin-Yi; Dunbar, Kim R.","Record antiferromagnetic coupling for a 3d/4d cyanide-bridged compound.","Journal of the American Chemical Society","2014","136","28","9922","9924","10.1021/ja5044352","","","0.71073","MoKα","","0.227","0.0979","","","0.2213","0.348","","","","","","1.196","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122136","12.0364","0.0013","12.668","0.002","14.0217","0.0018","90","","90","","90","","2138","0.5","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 B Cl3 Ga Mo N O4 Si2 -","- C10 H18 B Cl3 Ga Mo N O4 Si2 -","- C40 H72 B4 Cl12 Ga4 Mo4 N4 O16 Si8 -","4","1","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Hupp, Florian","Complete and Partial 1,2-Additions across Transition Metal-Boron Double Bonds.","Journal of the American Chemical Society","2014","136","27","9560","9563","10.1021/ja504761f","","","0.71073","MoKα","","0.0178","0.0154","","","0.0329","0.0341","","","","","","1.079","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122137","22.48","0.003","9.9041","0.0013","26.374","0.004","90","","106.775","0.005","90","","5622.1","1.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H60 B2 Cl6 Fe2 Ga2 O6 P2 -","- C46 H60 B2 Cl6 Fe2 Ga2 O6 P2 -","- C184 H240 B8 Cl24 Fe8 Ga8 O24 P8 -","4","0.5","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Hupp, Florian","Complete and Partial 1,2-Additions across Transition Metal-Boron Double Bonds.","Journal of the American Chemical Society","2014","136","27","9560","9563","10.1021/ja504761f","","","0.71073","MoKα","","0.0613","0.0428","","","0.0906","0.0967","","","","","","1.097","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122138","5.7478","0.0016","19.923","0.005","37.012","0.01","90","","90","","90","","4238","2","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Br O2 -","- C24 H31 Br O2 -","- C192 H248 Br8 O16 -","8","2","","Qin, Changming; Davies, Huw M. L.","Role of sterically demanding chiral dirhodium catalysts in site-selective C-h functionalization of activated primary C-h bonds.","Journal of the American Chemical Society","2014","136","27","9792","9796","10.1021/ja504797x","","","0.71073","MoKα","","0.1457","0.1315","","","0.3067","0.3137","","","","","","1.095","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122139","11.0837","0.0014","5.761","0.0007","18.212","0.002","90","","105.185","0.0016","90","","1122.3","0.2","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br Cl3 O2 -","- C22 H24 Br Cl3 O2 -","- C44 H48 Br2 Cl6 O4 -","2","1","","Qin, Changming; Davies, Huw M. L.","Role of sterically demanding chiral dirhodium catalysts in site-selective C-h functionalization of activated primary C-h bonds.","Journal of the American Chemical Society","2014","136","27","9792","9796","10.1021/ja504797x","","","0.71073","MoKα","","0.0482","0.0425","","","0.0982","0.1049","","","","","","1.08","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122140","18.803","0.005","6.1937","0.0015","16.084","0.004","90","","110.666","0.004","90","","1752.6","0.8","125","2","125","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Plummer, Christopher W.; Wei, Carolyn S.; Yozwiak, Carrie E.; Soheili, Arash; Smithback, Sara O.; Leighton, James L.","Design, development, mechanistic elucidation, and rational optimization of a tandem ireland claisen/cope rearrangement reaction for rapid access to the (iso)cyclocitrinol core.","Journal of the American Chemical Society","2014","136","28","9878","9881","10.1021/ja505131v","","","0.71073","MoKα","","0.0929","0.0566","","","0.129","0.1479","","","","","","1.033","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122141","6.415","0.003","11.466","0.006","12.007","0.006","110.702","0.01","93.082","0.009","97.855","0.01","813.4","0.7","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C38 H52 O6 -","2","1","","Plummer, Christopher W.; Wei, Carolyn S.; Yozwiak, Carrie E.; Soheili, Arash; Smithback, Sara O.; Leighton, James L.","Design, development, mechanistic elucidation, and rational optimization of a tandem ireland claisen/cope rearrangement reaction for rapid access to the (iso)cyclocitrinol core.","Journal of the American Chemical Society","2014","136","28","9878","9881","10.1021/ja505131v","","","0.71073","MoKα","","0.2172","0.0718","","","0.1192","0.1511","","","","","","0.892","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122142","16.868","0.005","17.468","0.005","18.823","0.005","90","","90","","90","","5546","3","193","2","193","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H44 B F4 N O6 -","- C24 H44 B F4 N O6 -","- C192 H352 B8 F32 N8 O48 -","8","1","","Ye, Heng-Yun; Li, Shen-Hui; Zhang, Yi; Zhou, Lei; Deng, Feng; Xiong, Ren-Gen","Solid State Molecular Dynamic Investigation of An Inclusion Ferroelectric: [(2,6-Diisopropylanilinium)([18]crown-6)]BF4.","Journal of the American Chemical Society","2014","136","28","10033","10040","10.1021/ja503344b","","","0.71073","MoKα","","0.0986","0.0777","","","0.1651","0.1763","","","","","","1.153","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122143","17.125","0.017","17.685","0.016","19.071","0.016","90","","90","","90","","5776","9","333","2","333","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C24 H44 B F4 N O6 -","- C24 H44 B F4 N O6 -","- C192 H352 B8 F32 N8 O48 -","8","0.5","","Ye, Heng-Yun; Li, Shen-Hui; Zhang, Yi; Zhou, Lei; Deng, Feng; Xiong, Ren-Gen","Solid State Molecular Dynamic Investigation of An Inclusion Ferroelectric: [(2,6-Diisopropylanilinium)([18]crown-6)]BF4.","Journal of the American Chemical Society","2014","136","28","10033","10040","10.1021/ja503344b","","","0.71073","MoKα","","0.1881","0.1144","","","0.2588","0.2982","","","","","","1.205","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122144","18.757","0.005","17.392","0.005","16.703","0.004","90","","90","","90","","5449","3","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H44 B F4 N O6 -","- C24 H44 B F4 N O6 -","- C192 H352 B8 F32 N8 O48 -","8","2","","Ye, Heng-Yun; Li, Shen-Hui; Zhang, Yi; Zhou, Lei; Deng, Feng; Xiong, Ren-Gen","Solid State Molecular Dynamic Investigation of An Inclusion Ferroelectric: [(2,6-Diisopropylanilinium)([18]crown-6)]BF4.","Journal of the American Chemical Society","2014","136","28","10033","10040","10.1021/ja503344b","","","0.71073","MoKα","","0.057","0.0485","","","0.1027","0.1076","","","","","","1.078","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122145","7.848","0.003","13.118","0.005","13.512","0.005","91.063","0.005","95.731","0.005","91.051","0.005","1383.6","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 F3 N4 O2 Pt -","- C12 H11 F3 N4 O2 Pt -","- C48 H44 F12 N16 O8 Pt4 -","4","2","","Konnick, Michael M.; Bischof, Steven M.; Yousufuddin, Muhammed; Hashiguchi, Brian G.; Ess, Daniel H.; Periana, Roy A.","A Mechanistic Change Results in 100 Times Faster CH Functionalization for Ethane versus Methane by a Homogeneous Pt Catalyst.","Journal of the American Chemical Society","2014","136","28","10085","10094","10.1021/ja504368r","","","0.71073","MoKα","","0.0734","0.0587","","","0.1494","0.162","","","","","","1.048","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122146","8.7062","0.0004","11.6534","0.0005","18.7313","0.0009","90","","98.535","0.0014","90","","1879.37","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(tpy)Au(CH2CH2OCOCF3)(OCOCF3)","[2-(4-tolyl)pyridine](2-trifluoroacetoxyethyl)(trifluoroacetato)gold(III)","","- C18 H14 Au F6 N O4 -","- C18 H14 Au F6 N O4 -","- C72 H56 Au4 F24 N4 O16 -","4","1","","Langseth, Eirin; Nova, Ainara; Tråseth, Eline Aa; Rise, Frode; Oien, Sigurd; Heyn, Richard H.; Tilset, Mats","A Gold Exchange: A Mechanistic Study of a Reversible, Formal Ethylene Insertion into a Gold(III)-Oxygen Bond.","Journal of the American Chemical Society","2014","136","28","10104","10115","10.1021/ja504554u","","","0.71073","MoKα","","0.0324","0.0214","","","0.0358","0.0384","","","","","","1.041","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122147","26.5569","0.0012","4.8312","0.0002","30.7819","0.0013","90","","105.409","0.001","90","","3807.4","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(tpy)Au(CH2CH2OCH2CF3)(OCOCF3)","[2-(4-tolyl)pyridine](2-trifluoroethoxyethyl)(trifluoroacetato)gold(III)","","- C18 H16 Au Cl0 F6 N O3 -","- C18 H16 Au F6 N O3 -","- C144 H128 Au8 F48 N8 O24 -","8","1","","Langseth, Eirin; Nova, Ainara; Tråseth, Eline Aa; Rise, Frode; Oien, Sigurd; Heyn, Richard H.; Tilset, Mats","A Gold Exchange: A Mechanistic Study of a Reversible, Formal Ethylene Insertion into a Gold(III)-Oxygen Bond.","Journal of the American Chemical Society","2014","136","28","10104","10115","10.1021/ja504554u","","","0.71073","MoKα","","0.0409","0.0335","","","0.0801","0.0841","","","","","","1.08","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122148","11.2419","0.0012","11.434","0.0012","20.378","0.002","88.275","0.001","89.862","0.002","76.552","0.002","2546.4","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H83 Li O6 P -","- C51 H83 Li O6 P -","- C102 H166 Li2 O12 P2 -","2","1","","Pan, Xiaobo; Wang, Xingyong; Zhao, Yue; Sui, Yunxia; Wang, Xinping","A crystalline phosphaalkene radical anion.","Journal of the American Chemical Society","2014","136","28","9834","9837","10.1021/ja504001x","","","0.71073","MoKα","","0.0543","0.0478","","","0.111","0.1328","","","","","","1.199","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122149","33.185","0.003","10.8157","0.0009","14.5739","0.0012","90","","90","","90","","5230.8","0.8","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H85 K O4 P -","- C54.996 H85 K O4 P -","- C219.984 H340 K4 O16 P4 -","4","1","","Pan, Xiaobo; Wang, Xingyong; Zhao, Yue; Sui, Yunxia; Wang, Xinping","A crystalline phosphaalkene radical anion.","Journal of the American Chemical Society","2014","136","28","9834","9837","10.1021/ja504001x","","","0.71073","MoKα","","0.0506","0.0441","","","0.1039","0.1269","","","","","","1.154","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122150","11.4124","0.0003","12.0079","0.0004","14.6814","0.0004","90","","107.679","0.0016","90","","1916.91","0.1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","13288b","","","- C21 H20 N2 O5 S -","- C21 H20 N2 O5 S -","- C84 H80 N8 O20 S4 -","4","1","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","Torquoselective ring opening of fused cyclobutenamides: evidence for a cis,trans-cyclooctadienone intermediate.","Journal of the American Chemical Society","2014","136","28","9802","9805","10.1021/ja502252t","","","1.54178","CuKα","","0.034","0.0294","","","0.0737","0.0767","","","","","","1.033","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122151","15.2876","0.0006","10.0354","0.0004","13.8347","0.0005","90","","114.866","0.002","90","","1925.71","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","13280a","","","- C21 H20 N2 O5 S -","- C21 H20 N2 O5 S -","- C84 H80 N8 O20 S4 -","4","1","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","Torquoselective ring opening of fused cyclobutenamides: evidence for a cis,trans-cyclooctadienone intermediate.","Journal of the American Chemical Society","2014","136","28","9802","9805","10.1021/ja502252t","","","1.54178","CuKα","","0.0408","0.0326","","","0.0796","0.0837","","","","","","1.055","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122152","8.6141","0.001","20.396","0.002","12.2349","0.0014","90","","106.345","0.002","90","","2062.7","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","13158z","","","- C22 H22 N2 O5 S -","- C22 H22 N2 O5 S -","- C88 H88 N8 O20 S4 -","4","1","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","Torquoselective ring opening of fused cyclobutenamides: evidence for a cis,trans-cyclooctadienone intermediate.","Journal of the American Chemical Society","2014","136","28","9802","9805","10.1021/ja502252t","","","0.71073","MoKα","","0.0693","0.042","","","0.0881","0.1009","","","","","","1.029","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122153","12.593","0.002","11.569","0.003","13.603","0.003","90","","116.52","0.01","90","","1773.3","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","13322a","","","- C19 H20 N2 O4 S -","- C19 H20 N2 O4 S -","- C76 H80 N8 O16 S4 -","4","1","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","Torquoselective ring opening of fused cyclobutenamides: evidence for a cis,trans-cyclooctadienone intermediate.","Journal of the American Chemical Society","2014","136","28","9802","9805","10.1021/ja502252t","","","1.54178","CuKα","","0.0371","0.0332","","","0.0859","0.0889","","","","","","1.038","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122154","30.401","0.002","34.672","0.002","21.1517","0.0014","90","","90","","90","","22295","2","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C98 H72 F12 Fe2 N26 O12 S4 -","- C97 H72 F9 Fe2 N26 O9 S3 -","- C776 H576 F72 Fe16 N208 O72 S24 -","8","1","","Roberts, Derrick A.; Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Kinetically Metastable Fe(II)2L3 Triple Helicates.","Journal of the American Chemical Society","2014","136","23","8201","8204","10.1021/ja5042397","","","0.6889","synchrotron","","0.1337","0.1185","","","0.3238","0.3397","","","","","","1.051","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122155","12.0651","0.0004","20.7223","0.0006","45.3163","0.0014","90","","96.757","0.002","90","","11251.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H84 F12 Fe2 N20 O15 S4 -","- C104 H84 F12 Fe2 N20 O15 S4 -","- C416 H336 F48 Fe8 N80 O60 S16 -","4","1","","Roberts, Derrick A.; Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Kinetically Metastable Fe(II)2L3 Triple Helicates.","Journal of the American Chemical Society","2014","136","23","8201","8204","10.1021/ja5042397","","","0.6889","synchrotron","","0.1684","0.107","","","0.2999","0.3242","","","","","","0.961","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122156","47.203","0.003","12.9869","0.0009","39.414","0.003","90","","92.37","0.004","90","","24141","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H96 F12 Fe2 N20 O15 S4 -","- C109 H96 F9 Fe2 N20 O12 S3 -","- C872 H768 F72 Fe16 N160 O96 S24 -","8","1","","Roberts, Derrick A.; Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Kinetically Metastable Fe(II)2L3 Triple Helicates.","Journal of the American Chemical Society","2014","136","23","8201","8204","10.1021/ja5042397","","","0.71075","MoKα","","0.1276","0.0981","","","0.2715","0.288","","","","","","1.099","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122157","12.7077","0.0003","21.2365","0.0005","43.5084","0.001","90","","96.094","0.001","90","","11675.1","0.5","130","2","130","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C115 H90 F21 Fe2 N24 O6 P3 S -","- C115 H84 F21 Fe2 N24 O6 P3 S -","- C460 H336 F84 Fe8 N96 O24 P12 S4 -","4","1","","Roberts, Derrick A.; Castilla, Ana M.; Ronson, Tanya K.; Nitschke, Jonathan R.","Post-assembly Modification of Kinetically Metastable Fe(II)2L3 Triple Helicates.","Journal of the American Chemical Society","2014","136","23","8201","8204","10.1021/ja5042397","","","1.54178","CuKα","","0.1403","0.1054","","","0.2833","0.3081","","","","","","1.016","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122158","11.81","0.0003","12.4184","0.0003","14.541","0.0003","79.3859","0.0019","67.8701","0.0019","69.185","0.002","1843.44","0.08","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H39 Cl2 Cu N5 O11 -","- C29 H39 Cl2 Cu N5 O11 -","- C58 H78 Cl4 Cu2 N10 O22 -","2","1","","Lee, Jung Yoon; Peterson, Ryan L.; Ohkubo, Kei; Garcia-Bosch, Isaac; Himes, Richard A.; Woertink, Julia; Moore, Cathy D.; Solomon, Edward I.; Fukuzumi, Shunichi; Karlin, Kenneth D.","Mechanistic Insights into the Oxidation of Substituted Phenols via Hydrogen Atom Abstraction by a Cupric-Superoxo Complex.","Journal of the American Chemical Society","2014","136","28","9925","9937","10.1021/ja503105b","","","0.71073","MoKα","","0.0362","0.0309","","","0.0808","0.0833","","","","","","1.041","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122159","7.907","0.003","12.982","0.006","13.323","0.005","90","","90","","90","","1367.6","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 P -","- C16 H19 P -","- C64 H76 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0488","0.0391","","","0.0843","0.0901","","","","","","1.018","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122160","15.256","0.005","8.081","0.003","16.253","0.005","90","","117.473","0.005","90","","1777.8","1","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 P -","- C20 H27 P -","- C80 H108 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0693","0.0502","","","0.1255","0.1425","","","","","","1.034","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122161","16.8064","0.0013","11.5731","0.0009","18.979","0.0015","90","","114.969","0.001","90","","3346.4","0.5","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H55 O2 P -","- C34 H55 O2 P -","- C136 H220 O8 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0522","0.0466","","","0.1225","0.1283","","","","","","1.011","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122162","9.5495","0.0008","19.1961","0.0017","12.6085","0.0011","90","","106.027","0.002","90","","2221.5","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H37 N2 P -","- C24 H37 N2 P -","- C96 H148 N8 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0493","0.0403","","","0.1045","0.1114","","","","","","1.019","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122163","6.2112","0.0004","20.6287","0.0014","14.9542","0.0011","90","","92.209","0.001","90","","1914.6","0.2","200","2","200","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H29 N2 P -","- C20 H29 N2 P -","- C80 H116 N8 P4 -","4","2","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0389","0.0338","","","0.0903","0.0942","","","","","","1.022","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122164","14.117","0.002","10.1847","0.0014","14.347","0.002","90","","94.131","0.003","90","","2057.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 O2 P -","- C22 H31 O2 P -","- C88 H124 O8 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0879","0.0536","","","0.1414","0.1703","","","","","","0.925","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122165","12.3099","0.0014","14.2308","0.0016","18.822","0.002","75.22","0.002","79.664","0.002","88.112","0.002","3136.1","0.6","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H51 P -","- C32 H51 P -","- C128 H204 P4 -","4","2","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.1113","0.0768","","","0.2008","0.231","","","","","","1.019","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122166","6.6137","0.001","18.406","0.003","26.543","0.004","90","","90.626","0.003","90","","3230.9","0.9","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H53 N2 P -","- C32 H53 N2 P -","- C128 H212 N8 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0877","0.0543","","","0.1227","0.1432","","","","","","1.027","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122167","19.964","0.004","21.624","0.004","8.0369","0.0016","90","","90","","90","","3469.5","1.2","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C31 H46 I O2 P Pd Si -","- C31 H46 I O2 P Pd Si -","- C124 H184 I4 O8 P4 Pd4 Si4 -","4","0.5","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0942","0.0504","","","0.1109","0.1315","","","","","","1.062","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122168","11.687","0.0008","16.2027","0.0011","25.0686","0.0017","90","","101.826","0.001","90","","4646.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cmpd1b","cmpd1b","","- C46 H68 N6 Ta2 -","- C46 H68 N6 Ta2 -","- C184 H272 N24 Ta8 -","4","1","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0267","0.0206","","","0.0405","0.042","","","","","","1.002","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122169","10.1527","0.0012","16.0379","0.0018","14.2362","0.0016","90","","110.774","0.002","90","","2167.3","0.4","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","cmpd1c","cmpd1c","","- C38 H70 N8 Ta2 -","- C38 H70 N8 Ta2 -","- C76 H140 N16 Ta4 -","2","1","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0319","0.0277","","","0.0632","0.0655","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122170","9.7368","0.0005","20.4387","0.001","12.387","0.0006","90","","109.451","0.001","90","","2324.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cmpd2b","cmpd2b","","- C46 H68 N6 Nb2 -","- C46 H68 N6 Nb2 -","- C92 H136 N12 Nb4 -","2","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0434","0.0311","","","0.058","0.062","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122171","13.3148","0.001","17.9841","0.0013","18.9403","0.0014","90","","102.756","0.001","90","","4423.4","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cmpd_cis_3b","cmpd_cis_3b","","- C46 H68 N6 Ta2 -","- C46 H68 N6 Ta2 -","- C184 H272 N24 Ta8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0239","0.0191","","","0.0367","0.0383","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122172","16.4902","0.0011","15.3364","0.001","17.0776","0.0011","90","","90","","90","","4318.9","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cmpd_trans_3b","cmpd_trans_3b","","- C46 H68 N6 Ta2 -","- C46 H68 N6 Ta2 -","- C184 H272 N24 Ta8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0211","0.0152","","","0.0297","0.0311","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122173","11.3498","0.0006","11.3498","0.0006","31.8364","0.0017","90","","90","","90","","4101.1","0.4","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","cmpd_cis_3c","cmpd_cis_3c","","- C38 H70 N8 Ta2 -","- C38 H70 N8 Ta2 -","- C152 H280 N32 Ta8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0145","0.0139","","","0.0312","0.0314","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122174","11.1501","0.0007","11.8403","0.0008","14.9152","0.001","90","","90.438","0.001","90","","1969.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cmpd_trans_3c","cmpd_trans_3c","","- C38 H70 N8 Ta2 -","- C38 H70 N8 Ta2 -","- C76 H140 N16 Ta4 -","2","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0158","0.0148","","","0.0346","0.035","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122175","11.9347","0.0014","19.054","0.002","19.12","0.002","112.506","0.0017","90.9022","0.0017","102.703","0.0017","3894.3","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","cmpd_cis_4a","cmpd_cis_4a","","- C36 H64 N6 Nb2 -","- C36 H64 N6 Nb2 -","- C144 H256 N24 Nb8 -","4","2","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0415","0.03","","","0.0573","0.0603","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122176","16.5274","0.0018","15.3353","0.0017","17.172","0.0019","90","","90","","90","","4352.3","0.8","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cmpd_trans_4b","cmpd_trans_4b","","- C46 H68 N6 Nb2 -","- C46 H68 N6 Nb2 -","- C184 H272 N24 Nb8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0311","0.0234","","","0.0496","0.0533","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122177","12.5699","0.0005","10.2174","0.0004","15.4022","0.0007","90","","101.536","0.001","90","","1938.17","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cmpd5","cmpd5","","- C36 H64 N6 V2 -","- C36 H64 N6 V2 -","- C72 H128 N12 V4 -","2","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0437","0.0369","","","0.0784","0.082","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122178","12.9672","0.0009","9.1331","0.0006","16.5204","0.0011","90","","91.1382","0.001","90","","1956.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cmpd8","cmpd8","","- C18 H32 Cl N2 V -","- C18 H32 Cl N2 V -","- C72 H128 Cl4 N8 V4 -","4","1","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0295","0.0259","","","0.0551","0.057","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122179","12.3334","0.0016","18.228","0.002","16.578","0.002","90","","90.162","0.002","90","","3726.9","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","cmpd9a","cmpd9a","","- C36 H64 N6 O Ta2 -","- C36 H64 N6 O Ta2 -","- C144 H256 N24 O4 Ta8 -","4","2","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0463","0.0384","","","0.0804","0.0834","","","","","","1.001","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122180","10.329","0.0013","17.301","0.002","25.09","0.003","95.3168","0.0019","93.183","0.002","92.545","0.002","4451.9","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","cmpd9b","cmpd9b","","- C46 H68 N6 O Ta2 -","- C46 H68 N6 O Ta2 -","- C184 H272 N24 O4 Ta8 -","4","2","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0351","0.0246","","","0.0443","0.0462","","","","","","1.001","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122181","15.4459","0.0012","15.9426","0.0013","18.6329","0.0015","90","","90","","90","","4588.3","0.6","220","2","220","2","","","","","","","","5","C 2 2 21","C 2c 2","20","cmpd9c","cmpd9c","","- C44 H76 N8 O Ta2 -","- C44 H76 N8 O Ta2 -","- C176 H304 N32 O4 Ta8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0175","0.0171","","","0.0411","0.0413","","","","","","1.002","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122182","11.9991","0.0005","36.8188","0.0016","15.059","0.0007","90","","93.1035","0.0007","90","","6643.2","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cmpd10","cmpd10","","- C36 H50 N4 V -","- C36 H50 N4 V -","- C288 H400 N32 V8 -","8","2","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0479","0.0369","","","0.0715","0.076","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122183","22.267","0.002","11.9395","0.0011","39.627","0.004","90","","97.399","0.003","90","","10447.4","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H86 N3 O5 U -","- C53 H86 N3 O5 U -","- C424 H688 N24 O40 U8 -","8","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0377","0.0271","","","0.0549","0.0581","","","","","","1.094","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122184","10.3378","0.0018","16.399","0.003","19.791","0.003","75.292","0.003","88.4","0.003","77.537","0.003","3167.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H94 N5 O3 U -","- C71 H94 N5 O3 U -","- C142 H188 N10 O6 U2 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.066","0.0422","","","0.0765","0.0832","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122185","15.352","0.0011","18.1081","0.0009","37.4604","0.0019","90","","94.56","0.008","90","","10380.9","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C109 H151 N8 O10 U2 -","- C109 H151 N8 O10 U2 -","- C436 H604 N32 O40 U8 -","4","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0426","0.0295","","","0.0563","0.0594","","","","","","1.09","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122186","17.0957","0.0003","15.6662","0.0002","19.5697","0.0003","90","","93.813","0.001","90","","5229.65","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H77 N4 O5 U -","- C56 H77 N4 O5 U -","- C224 H308 N16 O20 U4 -","4","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0487","0.0279","","","0.0559","0.0623","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122187","10.281","0.002","16.229","0.004","17.814","0.004","87.922","0.004","89.228","0.004","81.815","0.004","2940","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H90 N4 O5 U -","- C63 H90 N4 O5 U -","- C126 H180 N8 O10 U2 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0476","0.0366","","","0.0854","0.0907","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122188","12.3462","0.0012","12.596","0.0013","17.731","0.0017","110.565","0.002","90.487","0.002","91.474","0.002","2580.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H156 N6 O8 U2 -","- C114 H156 N6 O8 U2 -","- C114 H156 N6 O8 U2 -","1","0.5","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0207","0.018","","","0.0428","0.0437","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122189","12.4596","0.0002","13.1189","0.0002","15.19","0.0002","105.809","0.001","100.266","0.001","91.83","0.001","2342.23","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H144 N6 O8 U2 -","- C102 H144 N6 O8 U2 -","- C102 H144 N6 O8 U2 -","1","0.5","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0292","0.0243","","","0.0568","0.0586","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122190","14.021","0.002","15.655","0.002","23.004","0.004","77.233","0.004","84.937","0.004","67.646","0.004","4554.4","1.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H139 K2 N6 O8 U2 -","- C93 H139 K2 N6 O8 U2 -","- C186 H278 K4 N12 O16 U4 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0366","0.0248","","","0.0519","0.056","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122191","15.288","0.002","18.239","0.003","20.518","0.002","96.245","0.01","94.885","0.009","98.665","0.011","5592.2","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H180 K2 N6 O14 U2 -","- C114 H180 K2 N6 O14 U2 -","- C228 H360 K4 N12 O28 U4 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0643","0.0438","","","0.0906","0.0946","","","","","","1.513","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122192","13.189","0.002","25.23","0.004","36.9","0.006","90","","93.896","0.004","90","","12250","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H186 K N8 O14 U2 -","- C126 H186 K N8 O14 U2 -","- C504 H744 K4 N32 O56 U8 -","4","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0867","0.0478","","","0.087","0.0958","","","","","","1.195","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122193","32.153","0.003","15.4977","0.0011","25.339","0.002","90","","115.757","0.007","90","","11371.9","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H78 F3 N3 O7 S U -","- C58 H78 F3 N3 O7 S U -","- C464 H624 F24 N24 O56 S8 U8 -","8","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0516","0.0313","","","0.0671","0.0728","","","","","","1.188","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122194","19.12","0.004","25.85","0.005","26.032","0.005","67.67","0.03","89.97","0.03","86.95","0.03","11882","5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H81 F6 N3 O4 Sb U -","- C60 H81 F6 N3 O4 Sb U -","- C480 H648 F48 N24 O32 Sb8 U8 -","8","4","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.1202","0.0667","","","0.1254","0.149","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122195","25.833","0.006","19.209","0.005","26.537","0.007","90","","112.109","0.005","90","","12200","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62.5 H86 F6 N3 O4 Sb U -","- C62.5 H86 F6 N3 O4 Sb U -","- C500 H688 F48 N24 O32 Sb8 U8 -","8","2","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.1816","0.0631","","","0.0919","0.1198","","","","","","0.963","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122196","7.7409","0.0007","13.7132","0.0013","24.015","0.002","90","","94.217","0.002","90","","2542.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 F6 N3 O11 S2 U -","- C17 H15 F6 N3 O11 S2 U -","- C68 H60 F24 N12 O44 S8 U4 -","4","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0179","0.0154","","","0.035","0.0359","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122197","13.4843","0.0013","19.0787","0.0018","24.425","0.002","67.765","0.002","87.98","0.002","86.037","0.002","5802.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H185 K N8 O16 U2 -","- C116 H185 K N8 O16 U2 -","- C232 H370 K2 N16 O32 U4 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Lukens, Jr, Wayne W; Meyer, Karsten","Molecular and Electronic Structure of Dinuclear Uranium Bis-μ-Oxo Complexes with Diamond Core Structural Motifs.","Journal of the American Chemical Society","2014","136","34","11980","","10.1021/ja504528n","","","0.71073","MoKα","","0.0548","0.0342","","","0.0712","0.0775","","","","","","1.083","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122212","10.186","0.005","11.735","0.005","13.03","0.005","79.413","0.005","72.025","0.005","75.355","0.005","1423.9","1.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 B N2 U -","- C32 H36 B N2 U -","- C64 H72 B2 N4 U2 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Farnaby, Joy H.; Gardiner, Michael G.; Nichol, Gary S.; Love, Jason B.","New Chemistry from an Old Reagent: Mono- and Dinuclear Macrocyclic Uranium(III) Complexes from [U(BH4)3(THF)2].","Journal of the American Chemical Society","2014","136","29","10218","10221","10.1021/ja504835a","","","0.71073","MoKα","","0.0341","0.0319","","","0.0972","0.0983","","","","","","1.146","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122213","14.2234","0.0001","17.8038","0.0002","14.2288","0.0001","90","","90.588","0.001","90","","3602.98","0.05","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H96 B3 Li N8 O7 U2 -","- C70 H96 B3 Li N8 O7 U2 -","- C140 H192 B6 Li2 N16 O14 U4 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Farnaby, Joy H.; Gardiner, Michael G.; Nichol, Gary S.; Love, Jason B.","New Chemistry from an Old Reagent: Mono- and Dinuclear Macrocyclic Uranium(III) Complexes from [U(BH4)3(THF)2].","Journal of the American Chemical Society","2014","136","29","10218","10221","10.1021/ja504835a","","","1.54184","CuKα","","0.0406","0.0388","","","0.1003","0.1021","","","","","","1.061","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122214","11.6073","0.0002","16.45","0.0003","26.2923","0.0006","103.397","0.002","101.111","0.002","99.36","0.002","4677.75","0.18","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C103 H105 B3 N17 Na U2 -","- C103 H105 B3 N17 Na U2 -","- C206 H210 B6 N34 Na2 U4 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Farnaby, Joy H.; Gardiner, Michael G.; Nichol, Gary S.; Love, Jason B.","New Chemistry from an Old Reagent: Mono- and Dinuclear Macrocyclic Uranium(III) Complexes from [U(BH4)3(THF)2].","Journal of the American Chemical Society","2014","136","29","10218","10221","10.1021/ja504835a","","","0.71073","MoKα","","0.075","0.0428","","","0.0816","0.0922","","","","","","1.057","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122215","11.0751","0.0002","15.0152","0.0003","24.1321","0.0005","87.395","0.002","84.766","0.002","69.187","0.002","3735.17","0.14","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H74 I N13 O2 U2 -","- C83 H74 I N13 O2 U2 -","- C166 H148 I2 N26 O4 U4 -","2","1","","Arnold, Polly L.; Stevens, Charlotte J.; Farnaby, Joy H.; Gardiner, Michael G.; Nichol, Gary S.; Love, Jason B.","New Chemistry from an Old Reagent: Mono- and Dinuclear Macrocyclic Uranium(III) Complexes from [U(BH4)3(THF)2].","Journal of the American Chemical Society","2014","136","29","10218","10221","10.1021/ja504835a","","","0.71073","MoKα","","0.0651","0.0448","","","0.0961","0.1045","","","","","","0.911","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122216","10.8914","0.0004","23.607","0.0006","24.1102","0.0007","66.568","0.0018","79.589","0.002","89.848","0.002","5577.7","0.3","100","2","100.06","","","","","","","","","10","P -1","-P 1","2","","","","- C118 H101 B Cl2 F24 N O5 P2 Pt S2 -","- C118 H101 B Cl2 F24 N O5 P2 Pt S2 -","- C236 H202 B2 Cl4 F48 N2 O10 P4 Pt2 S4 -","2","1","","Mendez-Arroyo, Jose; Barroso-Flores, Joaquín; Lifschitz, Alejo M.; Sarjeant, Amy A.; Stern, Charlotte L.; Mirkin, Chad A.","A multi-state, allosterically-regulated molecular receptor with switchable selectivity.","Journal of the American Chemical Society","2014","136","29","10340","10348","10.1021/ja503506a","","","1.54178","CuKα","","0.0697","0.0588","","","0.149","0.1541","","","","","","1.054","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122217","26.0542","0.0007","18.7864","0.0005","23.4577","0.0007","90","","90.777","0.002","90","","11480.7","0.6","100","2","100.03","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C122 H106 B Cl2 F24 N3 O4 P2 Pt S2 -","- C122 H106 B Cl2 F24 N3 O4 P2 Pt S2 -","- C488 H424 B4 Cl8 F96 N12 O16 P8 Pt4 S8 -","4","1","","Mendez-Arroyo, Jose; Barroso-Flores, Joaquín; Lifschitz, Alejo M.; Sarjeant, Amy A.; Stern, Charlotte L.; Mirkin, Chad A.","A multi-state, allosterically-regulated molecular receptor with switchable selectivity.","Journal of the American Chemical Society","2014","136","29","10340","10348","10.1021/ja503506a","","","0.71073","MoKα","","0.1054","0.0488","","","0.1008","0.1251","","","","","","1.018","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122218","12.7771","0.0005","13.4792","0.0006","35.306","0.0018","100.622","0.004","90.163","0.004","102.731","0.003","5823.5","0.5","100","2","100.09","","","","","","","","","7","P -1","-P 1","2","","","","- C128 H122 B2 O4 P2 Pt S2 -","- C128 H122 B2 O4 P2 Pt S2 -","- C256 H244 B4 O8 P4 Pt2 S4 -","2","1","","Mendez-Arroyo, Jose; Barroso-Flores, Joaquín; Lifschitz, Alejo M.; Sarjeant, Amy A.; Stern, Charlotte L.; Mirkin, Chad A.","A multi-state, allosterically-regulated molecular receptor with switchable selectivity.","Journal of the American Chemical Society","2014","136","29","10340","10348","10.1021/ja503506a","","","1.54178","CuKα","","0.1241","0.096","","","0.2176","0.2273","","","","","","1.112","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122219","11.3491","0.0006","12.3027","0.0007","15.4442","0.0008","90","","109.278","0.003","90","","2035.48","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H37 Fe N O P2 -","- C17 H37 Fe N O P2 -","- C68 H148 Fe4 N4 O4 P8 -","4","1","","Bielinski, Elizabeth A.; Lagaditis, Paraskevi O.; Zhang, Yuanyuan; Mercado, Brandon Q.; Würtele, Christian; Bernskoetter, Wesley H.; Hazari, Nilay; Schneider, Sven","Lewis Acid-assisted formic Acid dehydrogenation using a pincer-supported iron catalyst.","Journal of the American Chemical Society","2014","136","29","10234","10237","10.1021/ja505241x","","","0.56086","AgKα","","0.0511","0.0298","","","0.0702","0.0821","","","","","","1.158","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122220","8.1038","0.0001","23.1886","0.0004","15.6037","0.0011","90","","95.968","0.007","90","","2916.3","0.2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H53 Fe N O P2 -","- C29 H53 Fe N O P2 -","- C116 H212 Fe4 N4 O4 P8 -","4","1","","Bielinski, Elizabeth A.; Lagaditis, Paraskevi O.; Zhang, Yuanyuan; Mercado, Brandon Q.; Würtele, Christian; Bernskoetter, Wesley H.; Hazari, Nilay; Schneider, Sven","Lewis Acid-assisted formic Acid dehydrogenation using a pincer-supported iron catalyst.","Journal of the American Chemical Society","2014","136","29","10234","10237","10.1021/ja505241x","","","1.54178","CuKα","","0.0385","0.0366","","","0.0895","0.0906","","","","","","1.103","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122221","8.3021","0.0003","29.2371","0.0011","11.9237","0.0004","90","","107.348","0.003","90","","2762.58","0.18","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","CGCTiCl2-C0-SNS","","- C23 H38 Cl2 N2 S2 Si Ti -","- C23 H38 Cl2 N2 S2 Si Ti -","- C92 H152 Cl8 N8 S8 Si4 Ti4 -","4","1","","Liu, Shaofeng; Motta, Alessandro; Mouat, Aidan R.; Delferro, Massimiliano; Marks, Tobin J.","Very large cooperative effects in heterobimetallic titanium-chromium catalysts for ethylene polymerization/copolymerization.","Journal of the American Chemical Society","2014","136","29","10460","10469","10.1021/ja5046742","","x-ray","1.54178","CuKα","","0.0981","0.0731","","","","0.1994","","","","","","1.0286","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122222","19.601","0.011","20.274","0.011","20.336","0.01","74.425","0.016","81.702","0.017","86.891","0.019","7702","7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetrathiafulvalene-calix[4]pyrrole-TOACl-C70","","- C172.6 H153.2 Cl6.2 N5 S24 -","- C172.61 H153.22 Cl6.22 N5 S24 -","- C345.22 H306.44 Cl12.44 N10 S48 -","2","1","","Davis, Christina M.; Lim, Jong Min; Larsen, Karina R.; Kim, Dong Sub; Sung, Young Mo; Lyons, Dani M.; Lynch, Vincent M.; Nielsen, Kent A.; Jeppesen, Jan O.; Kim, Dongho; Park, Jung Su; Sessler, Jonathan L.","Ion-Regulated Allosteric Binding of Fullerenes (C60 and C70) by Tetrathiafulvalene-Calix[4]pyrroles.","Journal of the American Chemical Society","2014","136","29","10410","10417","10.1021/ja504077f","","","0.71075","MoKα","","0.1762","0.1532","","","0.3861","0.4004","","","","","","2.259","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122223","21.845","0.004","21.527","0.004","29.676","0.006","90","","106.2","0.03","90","","13401","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Benzo-TTF-C4P]THACl-C70","Benzo-tetrathiafulvalene-calix[4]pyrrole-THACl-fullerene (C70)","","- C166 H124 Cl5 N5 S16 -","- C166 H124 Cl5 N5 S16 -","- C664 H496 Cl20 N20 S64 -","4","1","","Davis, Christina M.; Lim, Jong Min; Larsen, Karina R.; Kim, Dong Sub; Sung, Young Mo; Lyons, Dani M.; Lynch, Vincent M.; Nielsen, Kent A.; Jeppesen, Jan O.; Kim, Dongho; Park, Jung Su; Sessler, Jonathan L.","Ion-Regulated Allosteric Binding of Fullerenes (C60 and C70) by Tetrathiafulvalene-Calix[4]pyrroles.","Journal of the American Chemical Society","2014","136","29","10410","10417","10.1021/ja504077f","","","0.71074","MoKα","","0.1343","0.1064","","","0.3227","0.3477","","","","","","1.767","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122224","19.557","0.006","19.323","0.006","37.662","0.012","90","","98.973","0.006","90","","14058","8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[TTF-C4P]-C60-TOACl","Tetrathiafulvalene-calix[4]pyrrole-C60-TOACl","","- C160 H152 Cl N5 S24 -","- C160 H152 Cl N5 S24 -","- C640 H608 Cl4 N20 S96 -","4","1","","Davis, Christina M.; Lim, Jong Min; Larsen, Karina R.; Kim, Dong Sub; Sung, Young Mo; Lyons, Dani M.; Lynch, Vincent M.; Nielsen, Kent A.; Jeppesen, Jan O.; Kim, Dongho; Park, Jung Su; Sessler, Jonathan L.","Ion-Regulated Allosteric Binding of Fullerenes (C60 and C70) by Tetrathiafulvalene-Calix[4]pyrroles.","Journal of the American Chemical Society","2014","136","29","10410","10417","10.1021/ja504077f","","","0.71075","MoKα","","0.2271","0.193","","","0.4031","0.4166","","","","","","1.993","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122225","18.7465","0.0008","18.7465","0.0008","14.7998","0.0007","90","","90","","90","","5201.1","0.4","233","2","233","2","","","","","","","","5","P 4/n :2","-P 4a","85","Benzo-TTF-C4P TBAF C60","Benzo-tetrathiafluvalene-calix[4]pyrrole-fullerene(C60)-Tetrabutylammonium fluoride","","- C136 H80 F N5 S16 -","- C136 H80 F N5 S16 -","- C272 H160 F2 N10 S32 -","2","0.25","","Davis, Christina M.; Lim, Jong Min; Larsen, Karina R.; Kim, Dong Sub; Sung, Young Mo; Lyons, Dani M.; Lynch, Vincent M.; Nielsen, Kent A.; Jeppesen, Jan O.; Kim, Dongho; Park, Jung Su; Sessler, Jonathan L.","Ion-Regulated Allosteric Binding of Fullerenes (C60 and C70) by Tetrathiafulvalene-Calix[4]pyrroles.","Journal of the American Chemical Society","2014","136","29","10410","10417","10.1021/ja504077f","","","0.71075","MoKα","","0.1287","0.1079","","","0.3074","0.3329","","","","","","1.067","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122226","11.636","0.002","9.2863","0.0018","20.039","0.004","90","","105.279","0.004","90","","2088.8","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound 3b","","","- C22 H26 Br N O3 -","- C22 H26 Br N O3 -","- C88 H104 Br4 N4 O12 -","4","2","","Di Iorio, Nicola; Righi, Paolo; Mazzanti, Andrea; Mancinelli, Michele; Ciogli, Alessia; Bencivenni, Giorgio","Remote Control of Axial Chirality: Aminocatalytic Desymmetrization of N-Arylmaleimides via Vinylogous Michael Addition.","Journal of the American Chemical Society","2014","136","29","10250","10253","10.1021/ja505610k","","","0.71073","MoKα","","0.0787","0.062","","","0.1527","0.1616","","","","","","0.957","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122242","15.392","0.003","25.532","0.005","17.085","0.003","90","","90","","90","","6714","2","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","trans-PtCl2(CNArDipp2)2","","","- C72 H85 Cl2 F N4 Pt -","- C72 H85 Cl2 F N4 Pt -","- C288 H340 Cl8 F4 N16 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0336","0.0248","","","0.0446","0.0465","","","","","","1.002","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122243","23.427","0.003","12.4081","0.0015","22.03","0.003","90","","111.479","0.005","90","","5959.1","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","cis-PtCl2(CNArDipp2)2","","","- C64 H78 Cl6 N2 Pt -","- C64 H78 Cl6 N2 Pt -","- C256 H312 Cl24 N8 Pt4 -","4","0.5","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0539","0.0397","","","0.0791","0.0834","","","","","","1.12","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122244","16.2253","0.0008","16.4117","0.0008","21.4546","0.0009","90","","96.143","0.002","90","","5680.2","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pt(CNArDipp2)2","","","- C66 H82 N2 O Pt -","- C66 H82 N2 O Pt -","- C264 H328 N8 O4 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0408","0.0283","","","0.0612","0.0674","","","","","","1.047","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122245","14.221","0.002","21.092","0.003","22.585","0.003","90","","99.809","0.005","90","","6675.3","1.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pt(kappa-2-N,B-(Cy)2BIM)(CNArDipp2)","","","- C76.5 H103 B N2 Pt -","- C76.5 H103 B N2 Pt -","- C306 H412 B4 N8 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0412","0.0254","","","0.0501","0.0549","","","","","","1.01","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122246","13.7552","0.0003","12.2451","0.0003","22.2006","0.0005","90","","91.249","0.0011","90","","3738.44","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(OH)(Cy)BC(H)(Cy)NHArDipp2","","","- C43 H62 B N O -","- C43 H62 B N O -","- C172 H248 B4 N4 O4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0628","0.0457","","","0.1058","0.1153","","","","","","1.017","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122247","11.7424","0.0019","41.076","0.007","15.151","0.002","90","","110.606","0.003","90","","6840.3","1.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PtH(mu-OH)((Cy)2BIM)(CNArDipp2)","","","- C76 H104 B N2 O1.5 Pt -","- C76 H104 B N2 O1.5 Pt -","- C304 H416 B4 N8 O6 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0359","0.028","","","0.0589","0.0614","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122248","10.8582","0.0006","41.318","0.002","15.8758","0.0009","90","","107.117","0.002","90","","6807","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pt(kappa-2-C,N,-(Me2CO)(Cy)2BIM)(CNArDipp2)","","","- C77 H103 B N2 O Pt -","- C77 H103 B N2 O Pt -","- C308 H412 B4 N8 O4 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0346","0.0313","","","0.0582","0.0591","","","","","","1.221","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122249","17.3778","0.0006","21.3169","0.0007","19.5427","0.0007","90","","104.843","0.002","90","","6997.8","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PtH(mu-N(H)(p-NO2C6H4))(Cy2BIM)(CNArDipp2)","","","- C80 H102 B N4 O2 Pt -","- C80 H102 B N4 O2 Pt -","- C320 H408 B4 N16 O8 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0439","0.0305","","","0.0664","0.0697","","","","","","1.043","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122250","16.521","0.0006","20.7264","0.0006","20.3651","0.0008","90","","103.659","0.001","90","","6776.2","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PtH(mu-OMe)(Cy2BIM)(CNArDipp2)","","","- C75 H101 B N2 O Pt -","- C75 H101 B N2 O Pt -","- C300 H404 B4 N8 O4 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.063","0.0346","","","0.0682","0.0885","","","","","","1.066","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122251","15.1651","0.0012","18.0874","0.0013","18.8461","0.0012","90","","99.98","0.003","90","","5091.2","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cy2BIM][BCl3]","","","- C53 H84 B2 Cl3 N -","- C53 H84 B2 Cl3 N -","- C212 H336 B8 Cl12 N4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0989","0.0584","","","0.147","0.1707","","","","","","1.063","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122252","12.1668","0.0006","14.9438","0.0008","22.7406","0.0012","100.915","0.002","100.665","0.002","102.973","0.002","3842.7","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","PtH(eta-2-C,C-kappa-1-N-PhCC-(Cy)2BIM)(CNArDipp2)","","","- C88 H117 B N2 O1.5 Pt -","- C88 H117 B N2 O1.5 Pt -","- C176 H234 B2 N4 O3 Pt2 -","2","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0716","0.0476","","","0.0867","0.0942","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122253","15.454","0.003","18.996","0.004","24.561","0.005","90","","105.179","0.004","90","","6959","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PtH(eta-2-H,B-kappa-1-N-(Cy)2BIM)(CNArDipp2)","","","- C78 H108 B N2 O Pt -","- C78 H108 B N2 O Pt -","- C312 H432 B4 N8 O4 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.05","0.0323","","","0.0608","0.0676","","","","","","1.02","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122254","15.7728","0.0011","25.8576","0.0017","24.212","0.0015","90","","107.415","0.001","90","","9422.1","1.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Pt(kappa-2-C,N,-(PhCHO)(Cy)2BIM)(CNArDipp2)'","","","- C108 H157 B N2 O Pt -","- C108 H157 B N2 O Pt -","- C432 H628 B4 N8 O4 Pt4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Cooperative Transition Metal/Lewis Acid Bond-Activation Reactions by a Bidentate (Boryl)iminomethane Complex: A Significant Metal-Borane Interaction Promoted by a Small Bite-Angle LZ Chelate.","Journal of the American Chemical Society","2014","136","29","10262","10265","10.1021/ja505843g","","x-ray","0.71073","MoKα","","0.0324","0.0253","","","0.0582","0.0611","","","","","","1.031","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122255","14.1554","0.0014","14.1554","0.0014","9.807","0.001","90","","90","","120","","1701.8","0.3","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C20 H23 Fe N9 O4 -","- C20 H23 Fe N9 O4 -","- C60 H69 Fe3 N27 O12 -","3","0.5","","Sanders, Brian C.; Hassan, Sayed M.; Harrop, Todd C.","NO2(-) Activation and Reduction to NO by a Nonheme Fe(NO2)2 Complex.","Journal of the American Chemical Society","2014","136","29","10230","10233","10.1021/ja505236x","","","0.71073","MoKα","","0.0494","0.0428","","","0.1079","0.1126","","","","","","1.056","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122256","10.9135","0.0006","21.3956","0.0012","11.3491","0.0007","90","","98.669","0.001","90","","2619.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 B2 F8 Fe N9 -","- C19 H27 B2 F8 Fe N9 -","- C76 H108 B8 F32 Fe4 N36 -","4","1","","Sanders, Brian C.; Hassan, Sayed M.; Harrop, Todd C.","NO2(-) Activation and Reduction to NO by a Nonheme Fe(NO2)2 Complex.","Journal of the American Chemical Society","2014","136","29","10230","10233","10.1021/ja505236x","","","0.71073","MoKα","","0.0374","0.0331","","","0.09","0.0939","","","","","","1.034","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122257","9.9038","0.0004","10.2229","0.0004","19.6958","0.0009","83.143","0.002","86.242","0.002","65.473","0.002","1800.92","0.13","193","2","193","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C40 H40 Au O4 P Si -","- C40 H40 Au O4 P Si -","- C80 H80 Au2 O8 P2 Si2 -","2","1","","Joost, Maximilian; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Mechanisms of syn-Insertion of Alkynes and Allenes into Gold-Silicon Bonds: A Comprehensive Experimental/Theoretical Study.","Journal of the American Chemical Society","2014","136","29","10373","10382","10.1021/ja504024h","","x-ray","0.71073","MoKα","","0.0165","0.0148","","","0.0359","0.0366","","","","","","1.076","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122258","10.8649","0.0004","23.9209","0.0008","14.8877","0.0006","90","","100.449","0.002","90","","3805.1","0.2","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H43 Au O4 P Si -","- C43 H43 Au O4 P Si -","- C172 H172 Au4 O16 P4 Si4 -","4","1","","Joost, Maximilian; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Mechanisms of syn-Insertion of Alkynes and Allenes into Gold-Silicon Bonds: A Comprehensive Experimental/Theoretical Study.","Journal of the American Chemical Society","2014","136","29","10373","10382","10.1021/ja504024h","","x-ray","0.71073","MoKα","","0.0374","0.0236","","","0.0474","0.0521","","","","","","1.024","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122259","11.053","0.002","18.656","0.004","22.247","0.004","90","","96.86","0.03","90","","4554.6","1.5","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sc3C2@C80(C7H7)l1.5CS2","","","- C90.5 H7 S3 Sc3 -","- C90.5 H7 S3 Sc3 -","- C362 H28 S12 Sc12 -","4","1","","Fang, Hongyun; Cong, Hailin; Suzuki, Mitsuaki; Bao, Lipiao; Yu, Bing; Xie, Yunpeng; Mizorogi, Naomi; Olmstead, Marilyn M.; Balch, Alan L.; Nagase, Shigeru; Akasaka, Takeshi; Lu, Xing","Regioselective Benzyl Radical Addition to an Open-Shell Cluster Metallofullerene. Crystallographic Studies of Cocrystallized Sc3C2@Ih-C80 and Its Singly Bonded Derivative.","Journal of the American Chemical Society","2014","136","29","10534","10540","10.1021/ja505858y","","","0.71073","MoKα","","0.0936","0.0866","","","0.2424","0.2535","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122260","26.788","0.003","16.9531","0.0019","17.6337","0.0017","90","","106.517","0.006","90","","7677.7","1.4","90","2","90","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Sc3C2@Ih(7)-C80/Ni(OEP)/1.5(benzene)/1.0(CS2)","","","- C128 H53 N4 Ni S2 Sc3 -","- C128 H53 N4 Ni S2 Sc3 -","- C512 H212 N16 Ni4 S8 Sc12 -","4","0.5","","Fang, Hongyun; Cong, Hailin; Suzuki, Mitsuaki; Bao, Lipiao; Yu, Bing; Xie, Yunpeng; Mizorogi, Naomi; Olmstead, Marilyn M.; Balch, Alan L.; Nagase, Shigeru; Akasaka, Takeshi; Lu, Xing","Regioselective Benzyl Radical Addition to an Open-Shell Cluster Metallofullerene. Crystallographic Studies of Cocrystallized Sc3C2@Ih-C80 and Its Singly Bonded Derivative.","Journal of the American Chemical Society","2014","136","29","10534","10540","10.1021/ja505858y","","","0.71073","MoKα","","0.1133","0.0813","","","0.2206","0.2501","","","","","","1.06","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122261","11.9905","0.0019","15.728","0.002","16.06","0.003","90","","90","","90","","3028.7","0.8","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O -","- C19 H21 N O -","- C152 H168 N8 O8 -","8","1","","Crisenza, Giacomo E. M.; McCreanor, Niall G.; Bower, John F.","Branch-Selective, Iridium-Catalyzed Hydroarylation of Monosubstituted Alkenes via a Cooperative Destabilization Strategy.","Journal of the American Chemical Society","2014","136","29","10258","10261","10.1021/ja505776m","","","1.54178","CuKα","","0.039","0.0374","","","0.0993","0.101","","","","","","1.01","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122262","17.1067","0.0005","7.6909","0.0002","13.1373","0.0003","90","","96.004","0.002","90","","1718.94","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","","Crisenza, Giacomo E. M.; McCreanor, Niall G.; Bower, John F.","Branch-Selective, Iridium-Catalyzed Hydroarylation of Monosubstituted Alkenes via a Cooperative Destabilization Strategy.","Journal of the American Chemical Society","2014","136","29","10258","10261","10.1021/ja505776m","","","0.71073","MoKα","","0.0929","0.0473","","","0.0998","0.1197","","","","","","1.01","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122263","7.5638","0.0002","13.0804","0.0003","19.4333","0.0004","90","","90","","90","","1922.68","0.08","99.96","","99.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O3 -","- C21 H22 Br N O3 -","- C84 H88 Br4 N4 O12 -","4","1","","Lee, Anna; Younai, Ashkaan; Price, Christopher K.; Izquierdo, Javier; Mishra, Rama K.; Scheidt, Karl A.","Enantioselective annulations for dihydroquinolones by in situ generation of azolium enolates.","Journal of the American Chemical Society","2014","136","30","10589","10592","10.1021/ja505880r","","","1.54178","CuKα","","0.0217","0.0197","","","0.046","0.0469","","","","","","1.034","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122264","13.941","0.004","14.762","0.004","30.916","0.009","90","","90","","90","","6362","3","93","","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H37 Cl Ge N2 O4 -","- C37 H37 Cl Ge N2 O4 -","- C296 H296 Cl8 Ge8 N16 O32 -","8","1","","Ohkawara, Takahiro; Suzuki, Kohei; Nakano, Koji; Mori, Seiji; Nozaki, Kyoko","Facile estimation of catalytic activity and selectivities in copolymerization of propylene oxide with carbon dioxide mediated by metal complexes with planar tetradentate ligand.","Journal of the American Chemical Society","2014","136","30","10728","10735","10.1021/ja5046814","","","0.71075","MoKα","","0.0777","0.0754","","","0.1218","0.1229","","","","","","1.328","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122265","10.429","0.008","11.009","0.008","14.729","0.009","76.4","0.03","69.4","0.03","79.46","0.03","1529.2","1.9","93","","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H40 N2 O4 -","- C37 H40 N2 O4 -","- C74 H80 N4 O8 -","2","1","","Ohkawara, Takahiro; Suzuki, Kohei; Nakano, Koji; Mori, Seiji; Nozaki, Kyoko","Facile estimation of catalytic activity and selectivities in copolymerization of propylene oxide with carbon dioxide mediated by metal complexes with planar tetradentate ligand.","Journal of the American Chemical Society","2014","136","30","10728","10735","10.1021/ja5046814","","","0.71075","MoKα","","0.1462","0.1036","","","0.1859","0.2084","","","","","","1.169","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122266","13.4902","0.0009","7.8876","0.0005","20.8018","0.0014","90","","96.089","0.001","90","","2200.9","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O3 S -","- C26 H20 N2 O3 S -","- C104 H80 N8 O12 S4 -","4","1","","Hwang, Heejun; Kim, Jinwoo; Jeong, Jisu; Chang, Sukbok","Regioselective introduction of heteroatoms at the C-8 position of quinoline N-oxides: remote C-h activation using N-oxide as a stepping stone.","Journal of the American Chemical Society","2014","136","30","10770","10776","10.1021/ja5053768","","","0.71073","MoKα","","0.0818","0.0562","","","0.1502","0.187","","","","","","1.089","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122267","7.2476","0.0006","8.2748","0.0007","14.1627","0.0012","90","","96.587","0.002","90","","843.76","0.12","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 I N O -","- C9 H6 I N O -","- C36 H24 I4 N4 O4 -","4","1","","Hwang, Heejun; Kim, Jinwoo; Jeong, Jisu; Chang, Sukbok","Regioselective introduction of heteroatoms at the C-8 position of quinoline N-oxides: remote C-h activation using N-oxide as a stepping stone.","Journal of the American Chemical Society","2014","136","30","10770","10776","10.1021/ja5053768","","","0.71073","MoKα","","0.0279","0.0206","","","0.0427","0.082","","","","","","1.361","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122268","6.9399","0.0005","7.6809","0.0005","16.4129","0.0011","85.534","0.002","82.698","0.001","73.532","0.001","831.39","0.1","199","2","199","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N2 O3 S -","- C20 H16 N2 O3 S -","- C40 H32 N4 O6 S2 -","2","1","","Hwang, Heejun; Kim, Jinwoo; Jeong, Jisu; Chang, Sukbok","Regioselective introduction of heteroatoms at the C-8 position of quinoline N-oxides: remote C-h activation using N-oxide as a stepping stone.","Journal of the American Chemical Society","2014","136","30","10770","10776","10.1021/ja5053768","","","0.71073","MoKα","","0.097","0.0607","","","0.1591","0.2406","","","","","","1.115","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122269","8.2672","0.0012","14.5253","0.0019","14.507","0.002","90","","92.942","0.005","90","","1739.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl Ir N O -","- C19 H21 Cl Ir N O -","- C76 H84 Cl4 Ir4 N4 O4 -","4","1","","Hwang, Heejun; Kim, Jinwoo; Jeong, Jisu; Chang, Sukbok","Regioselective introduction of heteroatoms at the C-8 position of quinoline N-oxides: remote C-h activation using N-oxide as a stepping stone.","Journal of the American Chemical Society","2014","136","30","10770","10776","10.1021/ja5053768","","","0.71073","MoKα","","0.0962","0.0454","","","0.067","0.0879","","","","","","1.002","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122270","9.627","0.0007","12.8045","0.0009","16.2628","0.0012","90","","90","","90","","2004.7","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 B O3 P -","- C25 H20 B O3 P -","- C100 H80 B4 O12 P4 -","4","1","","Courtemanche, Marc-André; Légaré, Marc-André; Maron, Laurent; Fontaine, Frédéric-Georges","Reducing CO2 to Methanol Using Frustrated Lewis Pairs: On the Mechanism of Phosphine-Borane-Mediated Hydroboration of CO2.","Journal of the American Chemical Society","2014","136","30","10708","10717","10.1021/ja5047846","","","0.71073","MoKα","","0.0363","0.0333","","","0.0831","0.0855","","","","","","1.043","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122271","12.6769","0.0007","14.3202","0.0007","11.4924","0.0006","90","","105.27","0.003","90","","2012.63","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 B O3 -","- C23 H29 B O3 -","- C92 H116 B4 O12 -","4","1","","Hong, Kai; Liu, Xun; Morken, James P.","Simple Access to Elusive α-Boryl Carbanions and Their Alkylation: An Umpolung Construction for Organic Synthesis.","Journal of the American Chemical Society","2014","136","30","10581","10584","10.1021/ja505455z","","","0.71073","MoKα","","0.0457","0.0377","","","0.0922","0.0977","","","","","","1.027","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122272","7.5037","0.0016","7.547","0.0016","27.474","0.006","90","","90","","90","","1555.9","0.6","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 S2 -","- C19 H16 S2 -","- C76 H64 S8 -","4","1","","Bailey, T. Spencer; Zakharov, Lev N.; Pluth, Michael D.","Understanding hydrogen sulfide storage: probing conditions for sulfide release from hydrodisulfides.","Journal of the American Chemical Society","2014","136","30","10573","10576","10.1021/ja505371z","","","0.71073","MoKα","","0.0521","0.0446","","","0.1138","0.1179","","","","","","1.025","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122273","36.837","0.01","44.172","0.012","35.269","0.01","90","","90","","90","","57388","3","130","2","130","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C330 H480 Cd35 N30 O60 Se20 -","- Cd35 Se20 -","- Cd140 Se80 -","4","0.25","","Beecher, Alexander N.; Yang, Xiaohao; Palmer, Joshua H.; LaGrassa, Alexandra L.; Juhas, Pavol; Billinge, Simon J. L.; Owen, Jonathan S.","Atomic structures and gram scale synthesis of three tetrahedral quantum dots.","Journal of the American Chemical Society","2014","136","30","10645","10653","10.1021/ja503590h","","","0.71073","MoKα","","0.2288","0.1822","","","0.4715","0.4977","","","","","","1.535","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122274","36.837","0.01","44.172","0.012","35.269","0.01","90","","90","","90","","57388","3","130","2","130","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C242 H352 Cd31 N22 O44 Se20 -","- Cd31 Se20 -","- Cd124 Se80 -","4","0.25","","Beecher, Alexander N.; Yang, Xiaohao; Palmer, Joshua H.; LaGrassa, Alexandra L.; Juhas, Pavol; Billinge, Simon J. L.; Owen, Jonathan S.","Atomic structures and gram scale synthesis of three tetrahedral quantum dots.","Journal of the American Chemical Society","2014","136","30","10645","10653","10.1021/ja503590h","","","0.71073","MoKα","","0.2458","0.1969","","","0.4961","0.5222","","","","","","1.639","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122275","17.0374","0.0012","9.1839","0.0006","26.2103","0.0018","90","","95.077","0.001","90","","4085","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H33 Cd3 N O12 -","- C44 H33 Cd3 N O12 -","- C176 H132 Cd12 N4 O48 -","4","1","","Beecher, Alexander N.; Yang, Xiaohao; Palmer, Joshua H.; LaGrassa, Alexandra L.; Juhas, Pavol; Billinge, Simon J. L.; Owen, Jonathan S.","Atomic structures and gram scale synthesis of three tetrahedral quantum dots.","Journal of the American Chemical Society","2014","136","30","10645","10653","10.1021/ja503590h","","","0.71073","MoKα","","0.0421","0.0292","","","0.0562","0.0606","","","","","","1.048","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122276","17.349","0.004","19.217","0.004","19.415","0.004","87.59","0.03","76.89","0.03","72.4","0.03","6007","3","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C114 H107 Au10 F12 N3 O P10 S4 -","- C114 H107 Au10 F12 N3 O P10 S4 -","- C228 H214 Au20 F24 N6 O2 P20 S8 -","2","1","","Yao, Liao-Yuan; Hau, Franky Ka-Wah; Yam, Vivian Wing-Wah","Addition Reaction-Induced Cluster-to-Cluster Transformation: Controlled Self-Assembly of Luminescent Polynuclear Gold(I) μ3-Sulfido Clusters.","Journal of the American Chemical Society","2014","136","30","10801","10806","10.1021/ja505599v","","","0.7499","","","0.0936","0.0926","","","0.2466","0.2484","","","","","","1.107","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122277","16.3705","0.0019","17.829","0.002","19.46","0.002","100.583","0.002","101.699","0.002","112.083","0.002","4937.9","1","303","2","303","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H136 Au12 Cl4 P12 S6 -","- C156 H136 Au12 Cl4 P12 S6 -","- C156 H136 Au12 Cl4 P12 S6 -","1","0.5","","Yao, Liao-Yuan; Hau, Franky Ka-Wah; Yam, Vivian Wing-Wah","Addition Reaction-Induced Cluster-to-Cluster Transformation: Controlled Self-Assembly of Luminescent Polynuclear Gold(I) μ3-Sulfido Clusters.","Journal of the American Chemical Society","2014","136","30","10801","10806","10.1021/ja505599v","","","0.71073","MoKα","","0.0833","0.0469","","","0.1166","0.1276","","","","","","0.916","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122278","9.262","0.0003","22.4163","0.0009","21.2155","0.0008","90","","95.996","0.002","90","","4380.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H64 Cl N O3 Si2 Ti -","- C43 H64 Cl N O3 Si2 Ti -","- C172 H256 Cl4 N4 O12 Si8 Ti4 -","4","1","","Sattler, Aaron; VanderVelde, David G.; Labinger, Jay A.; Bercaw, John E.","Lewis Acid promoted titanium alkylidene formation: off-cycle intermediates relevant to olefin trimerization catalysis.","Journal of the American Chemical Society","2014","136","30","10790","10800","10.1021/ja5055687","","","0.71073","MoKα","","0.0756","0.0535","","","0.1353","0.1472","","","","","","1.065","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122279","12.1256","0.0009","12.3667","0.001","14.8256","0.0011","92.283","0.004","94.294","0.004","106.191","0.004","2124.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H66 Cl N O2 Ti -","- C46 H66 Cl N O2 Ti -","- C92 H132 Cl2 N2 O4 Ti2 -","2","1","","Sattler, Aaron; VanderVelde, David G.; Labinger, Jay A.; Bercaw, John E.","Lewis Acid promoted titanium alkylidene formation: off-cycle intermediates relevant to olefin trimerization catalysis.","Journal of the American Chemical Society","2014","136","30","10790","10800","10.1021/ja5055687","","","0.71073","MoKα","","0.09","0.0521","","","0.1329","0.1548","","","","","","1.025","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122280","9.6385","0.0005","11.1526","0.0006","20.9436","0.0012","97.266","0.003","97.906","0.003","100.804","0.003","2163.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H69 N O2 Si2 Ti -","- C45 H69 N O2 Si2 Ti -","- C90 H138 N2 O4 Si4 Ti2 -","2","1","","Sattler, Aaron; VanderVelde, David G.; Labinger, Jay A.; Bercaw, John E.","Lewis Acid promoted titanium alkylidene formation: off-cycle intermediates relevant to olefin trimerization catalysis.","Journal of the American Chemical Society","2014","136","30","10790","10800","10.1021/ja5055687","","","0.71073","MoKα","","0.0744","0.0469","","","0.1145","0.128","","","","","","1.023","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122281","9.5811","0.0012","20.012","0.003","19.283","0.002","90","","101.171","0.004","90","","3627.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H57 N O2 Ti -","- C42 H57 N O2 Ti -","- C168 H228 N4 O8 Ti4 -","4","1","","Sattler, Aaron; VanderVelde, David G.; Labinger, Jay A.; Bercaw, John E.","Lewis Acid promoted titanium alkylidene formation: off-cycle intermediates relevant to olefin trimerization catalysis.","Journal of the American Chemical Society","2014","136","30","10790","10800","10.1021/ja5055687","","","0.71073","MoKα","","0.1128","0.0529","","","0.1008","0.1195","","","","","","1.016","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122282","11.6724","0.0011","24.209","0.002","22.364","0.002","90","","103.811","0.003","90","","6136.8","0.9","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C137 H77 Cl16 N16 O8 -","- C137 H77 Cl16 N16 O8 -","- C274 H154 Cl32 N32 O16 -","2","1","","Metz, Alison E.; Podlesny, Erin E.; Carroll, Patrick J.; Klinghoffer, Ariel N.; Kozlowski, Marisa C.","Axial Chiral Bisbenzophenazines: Solid-State Self-Assembly via Halide Hydrogen Bonds Triggered by Linear Alkanes.","Journal of the American Chemical Society","2014","136","30","10601","10604","10.1021/ja506137j","","","0.71073","MoKα","","0.0871","0.0626","","","0.1601","0.1787","","","","","","1.005","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122283","11.5344","0.0007","26.0993","0.0015","23.8255","0.0015","90","","90","","90","","7172.4","0.8","100","1","100","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C141 H84 Cl16 N16 O8 -","- C141 H84 Cl16 N16 O8 -","- C282 H168 Cl32 N32 O16 -","2","0.5","","Metz, Alison E.; Podlesny, Erin E.; Carroll, Patrick J.; Klinghoffer, Ariel N.; Kozlowski, Marisa C.","Axial Chiral Bisbenzophenazines: Solid-State Self-Assembly via Halide Hydrogen Bonds Triggered by Linear Alkanes.","Journal of the American Chemical Society","2014","136","30","10601","10604","10.1021/ja506137j","","","0.71073","MoKα","","0.1162","0.1147","","","0.2904","0.2913","","","","","","1.083","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122284","11.7278","0.0005","18.4783","0.0008","23.7323","0.0011","90","","90","","90","","5143","0.4","143","1","143","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H22 N4 O2 -","- C34 H22 N4 O2 -","- C272 H176 N32 O16 -","8","1","","Metz, Alison E.; Podlesny, Erin E.; Carroll, Patrick J.; Klinghoffer, Ariel N.; Kozlowski, Marisa C.","Axial Chiral Bisbenzophenazines: Solid-State Self-Assembly via Halide Hydrogen Bonds Triggered by Linear Alkanes.","Journal of the American Chemical Society","2014","136","30","10601","10604","10.1021/ja506137j","","","0.71073","MoKα","","0.0443","0.0334","","","0.0824","0.0906","","","","","","1.039","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122286","18.0353","0.0006","28.636","0.001","21.3624","0.0007","90","","90","","90","","11032.8","0.6","100","2","100.01","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C86 H70 F36 N8 P6 -","- C78 H65 F36 N8 P6 -","- C312 H260 F144 N32 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1415","0.1076","","","0.3413","0.3671","","","","","","1.435","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122287","18.1424","0.0006","28.4624","0.0009","21.3281","0.0006","90","","90","","90","","11013.3","0.6","100","2","99.99","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C104 H96 F36 N16 P6 -","- C104 H95.5 F36 N16 P6 -","- C416 H382 F144 N64 P24 -","4","0.5","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.0465","0.0456","","","0.1232","0.1251","","","","","","1.075","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122288","18.0778","0.0018","28.704","0.002","21.242","0.002","90","","90","","90","","11022.6","1.7","100","2","100.01","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C90 H72 F36 N8 P6 -","- C90 H71.5 F36 N8 P6 -","- C360 H286 F144 N32 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1233","0.0819","","","0.2204","0.2455","","","","","","1","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122289","18.0422","0.0007","28.4947","0.0014","21.5301","0.0007","90","","90","","90","","11068.8","0.8","100.15","","100.15","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C70 H60 F36 N8 P6 -","- C70 H60 F36 N8 P6 -","- C280 H240 F144 N32 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","0.71073","MoKα","","0.115","0.0954","","","0.3324","0.3527","","","","","","1.406","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122290","18.2677","0.0008","30.7383","0.0012","21.5011","0.0009","90","","111.192","0.002","90","","11256.8","0.8","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H115 F36 N13 P6 -","- C84 H66 F36 N6 P6 -","- C336 H264 F144 N24 P24 -","4","1","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1048","0.0933","","","0.2456","0.2529","","","","","","1.024","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122291","23.1338","0.0018","30.56","0.002","18.2064","0.0011","90","","120.757","0.005","90","","11060.9","1.4","100","2","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C90 H66 F36 N6 P6 -","- C90 H66 F36 N6 P6 -","- C360 H264 F144 N24 P24 -","4","0.5","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1557","0.1118","","","0.2989","0.3381","","","","","","1.258","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122292","18.1032","0.0012","28.586","0.002","21.3729","0.0013","90","","90","","90","","11060.4","1.3","100","2","100","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C86 H73 F36 N9 P6 -","- C86 H73 F36 N9 P6 -","- C344 H292 F144 N36 P24 -","4","0.5","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1569","0.1084","","","0.3388","0.3714","","","","","","1.338","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122293","18.0851","0.0005","28.5005","0.0008","21.5707","0.0006","90","","90","","90","","11118.3","0.5","100","2","99.99","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C77 H67 F36 N9 P6 -","- C77 H67 F36 N9 P6 -","- C308 H268 F144 N36 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.0924","0.0696","","","0.2293","0.241","","","","","","1.055","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122294","30.6242","0.0005","30.6242","0.0005","20.9672","0.0005","90","","90","","120","","17029.4","0.6","100","2","99.99","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C108 H102 F36 N18 P6 -","- C108 H102 F36 N18 P6 -","- C648 H612 F216 N108 P36 -","6","0.333333","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.0518","0.0435","","","0.1253","0.1313","","","","","","1.062","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4122295","18.1567","0.0008","28.6627","0.0013","21.1615","0.001","90","","90","","90","","11012.9","0.9","100","2","100.01","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C79 H66 F36 N8 P6 -","- C79 H60 F36 N8 P6 -","- C316 H240 F144 N32 P24 -","4","0.25","","Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser","ExCage","Journal of the American Chemical Society","2014","136","30","10669","","10.1021/ja5041557","","","1.54178","CuKα","","0.1153","0.0958","","","0.3104","0.3321","","","","","","1.443","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122296","16.4947","0.0007","16.7464","0.0007","22.8838","0.001","86.675","0.002","78.45","0.002","71.512","0.002","5873.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H45.5 F24 N8.5 Sb4 -","- C45 H45.5 F24 N8.5 Sb4 -","- C180 H182 F96 N34 Sb16 -","4","2","","Barnes, Jonathan C.; Frasconi, Marco; Young, Ryan M.; Khdary, Nezar H.; Liu, Wei-Guang; Dyar, Scott M.; McGonigal, Paul R.; Gibbs-Hall, Ian C; Diercks, Christian S.; Sarjeant, Amy A.; Stern, Charlotte L.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Solid-state characterization and photoinduced intramolecular electron transfer in a nanoconfined octacationic homo[2]catenane.","Journal of the American Chemical Society","2014","136","30","10569","10572","10.1021/ja505093d","","","1.54178","CuKα","","0.1005","0.0886","","","0.2435","0.2552","","","","","","1.079","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4122297","19.4173","0.0017","17.2079","0.0015","13.992","0.0013","90","","90","","90","","4675.2","0.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C58 H42 F6 N2 O4 W -","- C58 H42 F6 N2 O4 W -","- C232 H168 F24 N8 O16 W4 -","4","1","","Zhao, Yanchuan; Markopoulos, Georgios; Swager, Timothy M.","(19)F NMR fingerprints: identification of neutral organic compounds in a molecular container.","Journal of the American Chemical Society","2014","136","30","10683","10690","10.1021/ja504110f","","","0.71073","MoKα","","0.0165","0.0148","","","0.0357","0.0363","","","","","","1.029","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122298","19.005","0.003","24.244","0.003","9.1234","0.0012","90","","96.525","0.003","90","","4176.4","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H29 F11 N2 O4 W -","- C50 H29 F11 N2 O4 W -","- C200 H116 F44 N8 O16 W4 -","4","1","","Zhao, Yanchuan; Markopoulos, Georgios; Swager, Timothy M.","(19)F NMR fingerprints: identification of neutral organic compounds in a molecular container.","Journal of the American Chemical Society","2014","136","30","10683","10690","10.1021/ja504110f","","","0.71073","MoKα","","0.0379","0.0336","","","0.0716","0.073","","","","","","1.113","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122299","21.0206","0.0005","16.0491","0.0004","14.6836","0.0004","90","","120.792","0.001","90","","4255.37","0.19","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H40 F6 N2 O6 W -","- C53 H40 F6 N2 O6 W -","- C212 H160 F24 N8 O24 W4 -","4","0.5","","Zhao, Yanchuan; Markopoulos, Georgios; Swager, Timothy M.","(19)F NMR fingerprints: identification of neutral organic compounds in a molecular container.","Journal of the American Chemical Society","2014","136","30","10683","10690","10.1021/ja504110f","","","0.71073","MoKα","","0.0147","0.0142","","","0.038","0.0382","","","","","","1.085","","","","has coordinates,has disorder","179024","2020-10-21","18:00:00",""
"4122300","21.4476","0.0007","15.8488","0.0005","14.2263","0.0005","90","","120.924","0.001","90","","4148.4","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H40 F6 N2 O4 W -","- C53 H40 F6 N2 O4 W -","- C212 H160 F24 N8 O16 W4 -","4","0.5","","Zhao, Yanchuan; Markopoulos, Georgios; Swager, Timothy M.","(19)F NMR fingerprints: identification of neutral organic compounds in a molecular container.","Journal of the American Chemical Society","2014","136","30","10683","10690","10.1021/ja504110f","","","0.71073","MoKα","","0.0171","0.0165","","","0.0425","0.0428","","","","","","1.13","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122301","10.023","0.014","10.902","0.017","11.848","0.017","108.72","0.03","92.751","0.003","109.02","0.03","1142","3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H33 B O2 -","- C27 H33 B O2 -","- C54 H66 B2 O4 -","2","1","","Nagao, Kazunori; Ohmiya, Hirohisa; Sawamura, Masaya","Phosphine-catalyzed anti-carboboration of alkynoates with alkyl-, alkenyl-, and arylboranes.","Journal of the American Chemical Society","2014","136","30","10605","10608","10.1021/ja506310v","","","0.71075","MoKα","","","0.0831","","","","0.2592","","","","","","0.99","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122302","10.8175","0.0019","13.761","0.002","21.924","0.004","83.546","0.005","76.684","0.005","68.516","0.005","2953.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H26 Cl N O Ta -","- C17 H26 Cl N4 O Ta -","- C102 H156 Cl6 N24 O6 Ta6 -","6","3","","Chong, Eugene; Brandt, Jason W.; Schafer, Laurel L.","2-pyridonate tantalum complexes for the intermolecular hydroaminoalkylation of sterically demanding alkenes.","Journal of the American Chemical Society","2014","136","31","10898","10901","10.1021/ja506187m","","x-ray","0.71073","MoKα","","0.035","0.0274","","","0.0573","0.0599","","","","","","1.074","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122303","12.3246","0.0015","13.0655","0.0015","17.41","0.003","68.087","0.005","75.004","0.008","64.226","0.005","2326.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H71 N10 O2 Ta2 -","- C41 H71 N10 O2 Ta2 -","- C82 H142 N20 O4 Ta4 -","2","1","","Chong, Eugene; Brandt, Jason W.; Schafer, Laurel L.","2-pyridonate tantalum complexes for the intermolecular hydroaminoalkylation of sterically demanding alkenes.","Journal of the American Chemical Society","2014","136","31","10898","10901","10.1021/ja506187m","","","0.71073","MoKα","","0.0617","0.0468","","","0.117","0.1235","","","","","","1.257","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122304","7.442","0.003","11.75","0.004","12.367","0.004","74.751","0.007","81.066","0.008","84.295","0.007","1028.7","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N O -","- C26 H29 N O -","- C52 H58 N2 O2 -","2","1","","Chong, Eugene; Brandt, Jason W.; Schafer, Laurel L.","2-pyridonate tantalum complexes for the intermolecular hydroaminoalkylation of sterically demanding alkenes.","Journal of the American Chemical Society","2014","136","31","10898","10901","10.1021/ja506187m","","x-ray","0.71073","MoKα","","0.046","0.0415","","","0.1125","0.1169","","","","","","1.017","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122305","17.5861","0.0004","19.0753","0.0004","19.3177","0.0008","90","","92.707","0.003","90","","6473.1","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H20 B F24 Li -","- C98 H20 B F24 Li -","- C392 H80 B4 F96 Li4 -","4","1","","Ueno, Hiroshi; Kawakami, Hiroki; Nakagawa, Koji; Okada, Hiroshi; Ikuma, Naohiko; Aoyagi, Shinobu; Kokubo, Ken; Matsuo, Yutaka; Oshima, Takumi","Kinetic study of the diels-alder reaction of li(+)@c60 with cyclohexadiene: greatly increased reaction rate by encapsulated li(+).","Journal of the American Chemical Society","2014","136","31","11162","11167","10.1021/ja505952y","","","0.64898","synchrotron","","0.0581","0.0515","","","0.1356","0.1447","","","","","","0.817","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122306","14.723","0.0015","12.8193","0.0013","17.7642","0.0019","90","","93.866","0.001","90","","3345.2","0.6","106","2","106","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl3 P2 Pt Sb -","- C36 H28 Cl3 P2 Pt Sb -","- C144 H112 Cl12 P8 Pt4 Sb4 -","4","1","","Yang, Haifeng; Gabbaï, François P","Solution and Solid-State Photoreductive Elimination of Chlorine by Irradiation of a [PtSb](VII) Complex.","Journal of the American Chemical Society","2014","136","31","10866","10869","10.1021/ja5056164","","","0.71073","MoKα","","0.0543","0.0357","","","0.078","0.0929","","","","","","1.039","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122307","16.7945","0.0011","11.9268","0.0008","18.1227","0.0012","90","","103.958","0.001","90","","3522.9","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl5 P2 Pt Sb -","- C36 H28 Cl5 P2 Pt Sb -","- C144 H112 Cl20 P8 Pt4 Sb4 -","4","1","","Yang, Haifeng; Gabbaï, François P","Solution and Solid-State Photoreductive Elimination of Chlorine by Irradiation of a [PtSb](VII) Complex.","Journal of the American Chemical Society","2014","136","31","10866","10869","10.1021/ja5056164","","","0.71073","MoKα","","0.0193","0.0181","","","0.0457","0.0462","","","","","","1.046","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122308","16.015","0.002","14.1139","0.0018","10.6266","0.0014","90","","127.29","0.006","90","","1911","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 O10 -","- C18 H22 N2 O10 -","- C72 H88 N8 O40 -","4","0.5","","Rubinstein, Amir; Jiménez-Lozanao, Pablo; Carbó, Jorge J; Poblet, Josep M.; Neumann, Ronny","Aerobic carbon-carbon bond cleavage of alkenes to aldehydes catalyzed by first-row transition-metal-substituted polyoxometalates in the presence of nitrogen dioxide.","Journal of the American Chemical Society","2014","136","31","10941","10948","10.1021/ja502846h","","","0.71073","MoKα","","0.058","0.0361","","","0.0869","0.0982","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122309","20.611","0.007","7.029","0.002","13.62","0.005","90","","90","","90","","1973.2","1.1","100","2","100","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C15 H12 Br2 Cu2 N7 O -","- C15 H12 Br2 Cu2 N7 O -","- C60 H48 Br8 Cu8 N28 O4 -","4","0.25","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.0437","0.0281","","","0.0571","0.0624","","","","","","1.098","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122310","20.4733","0.0007","7.0919","0.0003","13.3346","0.0004","90","","90","","90","","1936.11","0.12","100","2","100","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C15 H12 Br2 Cu2 N7 O -","- C15 H12 Br2 Cu2 N7 O -","- C60 H48 Br8 Cu8 N28 O4 -","4","0.25","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.05","0.0381","","","0.0975","0.1052","","","","","","1.106","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122311","21.823","0.018","14.573","0.012","7.503","0.006","90","","107.95","0.009","90","","2270","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Ag N4 O3 -","- C6 H6 Ag N4 O3 -","- C48 H48 Ag8 N32 O24 -","8","1","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.1111","0.0999","","","0.2665","0.2726","","","","","","1.122","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122312","7.8576","0.001","24.637","0.003","13.7898","0.0017","90","","90","","90","","2669.5","0.6","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C8 H7 Ag N4 O3 -","- C8 H7 Ag N4 O3 -","- C64 H56 Ag8 N32 O24 -","8","1","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.2075","0.1771","","","0.3726","0.3846","","","","","","1.202","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122313","25.973","0.006","6.7789","0.0015","27.596","0.006","90","","107.919","0.003","90","","4623.1","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cu2 N6 O8 S -","- C12 H12 Cu2 N6 O8 S -","- C96 H96 Cu16 N48 O64 S8 -","8","1","","Murdock, Christopher R.; Jenkins, David M.","Isostructural synthesis of porous metal-organic nanotubes.","Journal of the American Chemical Society","2014","136","31","10983","10988","10.1021/ja5042226","","","0.71073","MoKα","","0.0765","0.0474","","","0.1174","0.1267","","","","","","0.995","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122314","27.772","0.005","31.111","0.006","6.5431","0.0012","90","","90","","90","","5653.3","1.8","140","2","140","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H25 B N2 -","- C15 H25 B N2 -","- C240 H400 B16 N32 -","16","1","","Chu, Jiaxiang; Han, Xianghao; Kefalidis, Christos E.; Zhou, Jiliang; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Lewis Acid triggered reactivity of a lewis base stabilized scandium-terminal imido complex: C-h bond activation, cycloaddition, and dehydrofluorination.","Journal of the American Chemical Society","2014","136","31","10894","10897","10.1021/ja5061559","","","0.71073","MoKα","","0.0749","0.0456","","","0.0987","0.1211","","","","","","1.098","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122315","21.163","0.0005","8.5919","0.0002","10.0756","0.0003","90","","90","","90","","1832.05","0.08","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C41 H41 Fe N3 O2 -","- C41 H41 Fe N3 O2 -","- C82 H82 Fe2 N6 O4 -","2","0.5","","Chiang, Chien-Wei; Kleespies, Scott T.; Stout, Heather D.; Meier, Katlyn K.; Li, Po-Yi; Bominaar, Emile L.; Que, Jr, Lawrence; Münck, Eckard; Lee, Way-Zen","Characterization of a paramagnetic mononuclear nonheme iron-superoxo complex.","Journal of the American Chemical Society","2014","136","31","10846","10849","10.1021/ja504410s","","","0.71073","MoKα","","0.046","0.0444","","","0.1418","0.1434","","","","","","0.991","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122316","6.843","0.001","7.27","0.001","17.736","0.003","90","","98.87","0.01","90","","871.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(3S,5R)-3-(4-Methoxyphenyl)-1-oxospiro[4.5]decan-7- ylidene]malononitrile","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","1","","Dell'Amico, Luca; Rassu, Gloria; Zambrano, Vincenzo; Sartori, Andrea; Curti, Claudio; Battistini, Lucia; Pelosi, Giorgio; Casiraghi, Giovanni; Zanardi, Franca","Exploring the vinylogous reactivity of cyclohexenylidene malononitriles: switchable regioselectivity in the organocatalytic asymmetric addition to enals giving highly enantioenriched carbabicyclic structures.","Journal of the American Chemical Society","2014","136","31","11107","11114","10.1021/ja5054576","","","0.71073","MoKα","","0.0468","0.0376","","","0.0932","0.0988","","","","","","1.035","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122317","8.4215","0.0009","6.9754","0.0008","13.365","0.002","90","","96.979","0.002","90","","779.29","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(1S,4S,5R,6S)-5-Formyl-4-methyl-6-phenylbicyclo[2.2.2] octan-2-ylidene]malononitrile","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C38 H36 N4 O2 -","2","1","","Dell'Amico, Luca; Rassu, Gloria; Zambrano, Vincenzo; Sartori, Andrea; Curti, Claudio; Battistini, Lucia; Pelosi, Giorgio; Casiraghi, Giovanni; Zanardi, Franca","Exploring the vinylogous reactivity of cyclohexenylidene malononitriles: switchable regioselectivity in the organocatalytic asymmetric addition to enals giving highly enantioenriched carbabicyclic structures.","Journal of the American Chemical Society","2014","136","31","11107","11114","10.1021/ja5054576","","","0.71073","MoKα","","0.0336","0.0328","","","0.0878","0.0885","","","","","","1.045","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122318","42.95","0.03","3.967","0.002","13.369","0.008","90","","98.813","0.011","90","","2251","2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Sb8 Se24 Sn5 Tl4 -","- Sb2.66667 Se8 Sn1.66667 Tl1.33333 -","- Sb16 Se48 Sn10 Tl8 -","6","0.75","","Fang, Lei; Iyer, Ratnasabapathy G.; Tan, Gangjian; West, Damien J.; Zhang, Shengbai; Kanatzidis, Mercouri G.","The New Phase [Tl4Sb6Se10][Sn5Sb2Se14]: A Naturally Formed Semiconducting Heterostructure with Two-Dimensional Conductance.","Journal of the American Chemical Society","2014","136","31","11079","11084","10.1021/ja505301y","","","0.71073","MoKα","","0.1179","0.0572","","","0.129","0.1551","","","","","","0.954","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122320","12.601","0.003","16.923","0.003","20.807","0.004","90","","90","","90","","4437","1.6","12","2","12","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","diaryltellurium acetimidate","","","- C26 H27 N3 O Te -","- C26 H27 N3 O Te -","- C208 H216 N24 O8 Te8 -","8","1","","Mallow, Ole; Bolsinger, Jens; Finke, Pamela; Hesse, Malte; Chen, Yu-Sheng; Duthie, Andrew; Grabowsky, Simon; Luger, Peter; Mebs, Stefan; Beckmann, Jens","Oxygen Transfer from an Intramolecularly Coordinated Diaryltellurium Oxide to Acetonitrile. Formation and Combined AIM and ELI-D Analysis of a Novel Diaryltellurium Acetimidate.","Journal of the American Chemical Society","2014","136","31","10870","10873","10.1021/ja505648x","","","0.4133","synchrotron","","0.066","0.034","","","0.072","0.072","0.052","","","","","1.092","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122321","11.307","0.005","11.66","0.007","23.091","0.01","91.282","0.008","100.757","0.006","118.983","0.005","2594","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Cl2NN]Cu-NHArCl3","","","- C23 H16 Cl7 Cu N3 -","- C23 H16 Cl7 Cu N3 -","- C92 H64 Cl28 Cu4 N12 -","4","2","","Jang, Eun Sil; McMullin, Claire L.; Käß, Martina; Meyer, Karsten; Cundari, Thomas R.; Warren, Timothy H.","Copper(II) Anilides in sp(3) C-H Amination.","Journal of the American Chemical Society","2014","136","31","10930","10940","10.1021/ja5026547","","","0.71073","MoKα","","0.0588","0.0472","","","0.1201","0.1248","","","","","","1.064","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122322","15.608","0.01","8.241","0.005","17.842","0.011","90","","92.945","0.008","90","","2292","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cl2NN]Cu-NH-2-pyr","","","- C22 H18 Cl4 Cu N4 -","- C22 H18 Cl4 Cu N4 -","- C88 H72 Cl16 Cu4 N16 -","4","1","","Jang, Eun Sil; McMullin, Claire L.; Käß, Martina; Meyer, Karsten; Cundari, Thomas R.; Warren, Timothy H.","Copper(II) Anilides in sp(3) C-H Amination.","Journal of the American Chemical Society","2014","136","31","10930","10940","10.1021/ja5026547","","","0.71073","MoKα","","0.0345","0.0296","","","0.0727","0.0772","","","","","","0.996","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122323","12.826","0.006","11.594","0.005","17.588","0.008","90","","94.677","0.006","90","","2607","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cl2NN]Cu-NHArF6","","","- C25 H17 Cl4 Cu F6 N3 -","- C25 H17 Cl4 Cu F6 N3 -","- C100 H68 Cl16 Cu4 F24 N12 -","4","1","","Jang, Eun Sil; McMullin, Claire L.; Käß, Martina; Meyer, Karsten; Cundari, Thomas R.; Warren, Timothy H.","Copper(II) Anilides in sp(3) C-H Amination.","Journal of the American Chemical Society","2014","136","31","10930","10940","10.1021/ja5026547","","","0.71073","MoKα","","0.0372","0.03","","","0.0741","0.0766","","","","","","1.074","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122324","21.957","0.004","27.821","0.006","28.369","0.006","75.91","0.03","72.76","0.03","76.36","0.03","15801","6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C277 H295 Au16 Cl2 N18 O16 S48 -","- C277 H295 Au16 Cl2 N18 O16 S48 -","- C554 H590 Au32 Cl4 N36 O32 S96 -","2","1","","Jiang, Xuan-Feng; Hau, Franky Ka-Wah; Sun, Qing-Fu; Yu, Shu-Yan; Yam, Vivian Wing-Wah","From {au(i)···au(i)}-coupled cages to the cage-built 2-d {au(i)···au(i)} arrays: au(i)···au(i) bonding interaction driven self-assembly and their ag(i) sensing and photo-switchable behavior.","Journal of the American Chemical Society","2014","136","31","10921","10929","10.1021/ja502295c","","","0.7499","","","0.1395","0.1103","","","0.299","0.3201","","","","","","1.259","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122325","26.51","0.002","39.79","0.001","39.011","0.003","90","","105.588","0.003","90","","39637","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C160 H176 Au8 N8 O8 S16 -","- C160 H176 Au8 N8 O8 S16 -","- C1280 H1408 Au64 N64 O64 S128 -","8","2","","Jiang, Xuan-Feng; Hau, Franky Ka-Wah; Sun, Qing-Fu; Yu, Shu-Yan; Yam, Vivian Wing-Wah","From {au(i)···au(i)}-coupled cages to the cage-built 2-d {au(i)···au(i)} arrays: au(i)···au(i) bonding interaction driven self-assembly and their ag(i) sensing and photo-switchable behavior.","Journal of the American Chemical Society","2014","136","31","10921","10929","10.1021/ja502295c","","","0.9001","","","0.0673","0.0645","","","0.1623","0.1671","","","","","","1.221","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122326","36.036","0.001","21.732","0.001","41.308","0.003","90","","90","","90","","32350","3","291","2","291","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C304 H320 Au16 N16 O16 S32 -","- C304 H320 Au16 N16 O16 S32 -","- C1216 H1280 Au64 N64 O64 S128 -","4","","","Jiang, Xuan-Feng; Hau, Franky Ka-Wah; Sun, Qing-Fu; Yu, Shu-Yan; Yam, Vivian Wing-Wah","From {au(i)···au(i)}-coupled cages to the cage-built 2-d {au(i)···au(i)} arrays: au(i)···au(i) bonding interaction driven self-assembly and their ag(i) sensing and photo-switchable behavior.","Journal of the American Chemical Society","2014","136","31","10921","10929","10.1021/ja502295c","","","0.7501","","","0.0459","0.0427","","","0.0958","0.0966","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122327","12.281","0.003","13.661","0.003","14.407","0.003","90","","92.245","0.004","90","","2415.2","0.9","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H40 Cl10 N4 O -","- C46 H40 Cl10 N4 O -","- C92 H80 Cl20 N8 O2 -","2","1","","Ohmatsu, Kohsuke; Kiyokawa, Mari; Ooi, Takashi","Correction to ""chiral 1,2,3-triazoliums as new cationic organic catalysts with anion-recognition ability: application to asymmetric alkylation of oxindoles"".","Journal of the American Chemical Society","2014","136","31","11195","","10.1021/ja506545z","","","0.71073","MoKα","","0.0409","0.0387","","","0.0993","0.1016","","","","","","1.022","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122328","15.9473","0.0002","14.8095","0.0002","21.5138","0.0003","90","","93.8759","0.0013","90","","5069.33","0.12","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ga{B(L)}2(OH)","","- C52 H73 B2 Ga N4 O -","- C52 H73 B2 Ga N4 O -","- C208 H292 B8 Ga4 N16 O4 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.5418","CuKα","","0.0441","0.0406","","0.0513","0.0494","0.049","","","","","","1.0967","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122329","15.11301","0.00014","18.55311","0.00017","19.57819","0.00018","90","","90","","90","","5489.59","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H82 B2 N4 Sn -","- C58 H82 B2 N4 Sn -","- C232 H328 B8 N16 Sn4 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.54184","CuKα","","0.0211","0.0203","","0.0223","0.0217","0.0216","","","","","","1.1022","","","","has coordinates","265225","2021-05-14","14:20:09",""
"4122330","31.1097","0.0002","12.833","0.00013","21.5279","0.00009","90","","90","","90","","8594.6","0.11","150","0.4","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","[{Tl{B(NArCH)2}}2{C6H10}{B(NArCH)2}].0.5(C5H12)","","- C85.25 H121 B3 N6 Tl -","- C85.25 H121 B3 N6 Tl -","- C341 H484 B12 N24 Tl4 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","0.71073","MoKα","","0.0262","0.0242","","0.0292","0.026","0.0253","","","","","","1.1254","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122331","11.3674","0.0001","18.7715","0.0001","24.657","0.0002","90","","90","","90","","5261.39","0.07","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71.5 B2 Cl2 N4 Sn -","- C52 H71.5 B2 Cl2 N4 Sn -","- C208 H286 B8 Cl8 N16 Sn4 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","0.71073","MoKα","","0.0452","0.0399","","0.0441","0.0396","0.0386","","","","","","1.1293","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122332","39.8417","0.0003","13.1343","0.0001","45.0886","0.0004","90","","103.456","0.0008","90","","22946.9","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[{In{B(NArCH)2}}2{C6H10}]. 0.25(C6H14)","","- C223 H315 B8 In4 N16 -","- C223 H315 B8 In4 N16 -","- C892 H1260 B32 In16 N64 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.5418","CuKα","","0.0444","0.0391","","0.0257","0.0244","0.024","","","","","","1.0376","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122333","24.2497","0.0004","12.5615","0.0001","19.5541","0.0003","90","","113.287","0.0017","90","","5471.19","0.15","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","{C6H10}{B(NArCH)2}2","","- C58 H82 B2 N4 -","- C58 H82 B2 N4 -","- C232 H328 B8 N16 -","4","0.5","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.5418","CuKα","","0.0499","0.0451","","0.0669","0.0606","0.0595","","","","","","1.0511","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122334","31.4051","0.0002","18.7937","0.0001","18.5996","0.0001","90","","93.0737","0.0005","90","","10962","0.11","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","[{Ga{B(NArCH)2}}2{C6H10}].(C6H14)","","- C116 H168 B4 Ga2 N8 -","- C116 H168 B4 Ga2 N8 -","- C464 H672 B16 Ga8 N32 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.5418","CuKα","","0.0264","0.0254","","0.0275","0.0271","0.0269","","","","","","1.1127","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122335","18.3798","0.0002","27.1678","0.0003","19.4457","0.0002","90","","92.2554","0.001","90","","9702.47","0.18","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","In19{B(NArCH)2}}6","","- C156 H213 B6 In19 N12 -","- C156 H213 B6 In19 N12 -","- C312 H426 B12 In38 N24 -","2","0.5","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.5418","CuKα","","0.0955","0.0709","","0.1042","0.0881","0.0853","","","","","","1.0735","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122336","10.1486","0.0002","19.1068","0.0003","10.4402","0.0002","90","","116.444","0.001","90","","1812.61","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H56 Fe O3 P4 -","- C35 H56 Fe O3 P4 -","- C70 H112 Fe2 O6 P8 -","2","1","","Bhattacharya, Papri; Krause, Jeanette A.; Guan, Hairong","Mechanistic studies of ammonia borane dehydrogenation catalyzed by iron pincer complexes.","Journal of the American Chemical Society","2014","136","31","11153","11161","10.1021/ja5058423","","","1.54178","CuKα","","0.0463","0.039","","","0.083","0.086","","","","","","0.92","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122337","7.1363","0.0005","21.1151","0.0017","23.2821","0.0018","90","","90","","90","","3508.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H30 N2 O8 S -","- C41 H30 N2 O8 S -","- C164 H120 N8 O32 S4 -","4","1","","Ling, Fei; Li, Zexiang; Zheng, Chenguang; Liu, Xiang; Ma, Cheng","Palladium/Copper-catalyzed aerobic intermolecular cyclization of enediyne compounds and alkynes: interrupting cycloaromatization for (4 + 2) cross-benzannulation.","Journal of the American Chemical Society","2014","136","31","10914","10917","10.1021/ja506795u","","","0.71073","MoKα","","0.0863","0.0648","","","0.1501","0.1714","","","","","","1.093","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122338","11.5054","0.0009","11.633","0.0007","12.6576","0.0009","67.629","0.006","77.98","0.006","63.713","0.007","1403","0.2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Br N O5 S -","- C32 H28 Br N O5 S -","- C64 H56 Br2 N2 O10 S2 -","2","1","","Ling, Fei; Li, Zexiang; Zheng, Chenguang; Liu, Xiang; Ma, Cheng","Palladium/Copper-catalyzed aerobic intermolecular cyclization of enediyne compounds and alkynes: interrupting cycloaromatization for (4 + 2) cross-benzannulation.","Journal of the American Chemical Society","2014","136","31","10914","10917","10.1021/ja506795u","","","0.71073","MoKα","","0.0681","0.0421","","","0.0832","0.0946","","","","","","1.023","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122339","14.7523","0.0014","8.2733","0.0009","17.2655","0.0015","90","","93.721","0.008","90","","2102.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C100 H88 O16 -","4","1","","Ling, Fei; Li, Zexiang; Zheng, Chenguang; Liu, Xiang; Ma, Cheng","Palladium/Copper-catalyzed aerobic intermolecular cyclization of enediyne compounds and alkynes: interrupting cycloaromatization for (4 + 2) cross-benzannulation.","Journal of the American Chemical Society","2014","136","31","10914","10917","10.1021/ja506795u","","","0.71073","MoKα","","0.091","0.0533","","","0.1249","0.1496","","","","","","1.03","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122340","11.429","0.004","14.606","0.005","18.998","0.007","90","","93.961","0.006","90","","3163.8","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cl4 I3 In N4 -","- C26 H20 Cl4 I3 In N4 -","- C104 H80 Cl16 I12 In4 N16 -","4","1","","Surendra, Karavadhi; Corey, E. J.","Diiodoindium(III) Cation, InI2(+), a Potent Yneophile. Generation and Application to Cationic Cyclization by Selective π-Activation of C\τb C.","Journal of the American Chemical Society","2014","136","31","10918","10920","10.1021/ja506502p","","","0.71073","MoKα","","0.0556","0.0469","","","0.1358","0.1425","","","","","","1.036","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122341","18.9078","0.0002","9.9378","0.0001","21.7123","0.0002","90","","90","","90","","4079.78","0.07","180","2","180","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","[Mo2(MeOPhNCHNPhOMe)2(ThCO2)2]","","","- C40 H36 Mo2 N4 O8 S2 -","- C40 H36 Mo2 N4 O8 S2 -","- C160 H144 Mo8 N16 O32 S8 -","4","0.5","","Brown-Xu, Samantha E; Chisholm, Malcolm H.; Durr, Christopher B.; Gustafson, Terry L.; Spilker, Thomas F.","Photophysical Properties of cis-Mo2 Quadruply Bonded Complexes and Observation of Photoinduced Electron Transfer to Titanium Dioxide.","Journal of the American Chemical Society","2014","136","32","11428","11435","10.1021/ja504944d","","x-ray","0.71073","MoKα","","0.0492","0.0289","","","0.0651","0.0713","","","","","","1.022","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122342","12.7307","0.0006","9.8601","0.0003","17.6478","0.001","90","","90","","90","","2215.26","0.18","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C21 H19 Cu N7 O5 -","- C21 H19 Cu N7 O5 -","- C84 H76 Cu4 N28 O20 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.0651","0.0586","","","0.2439","0.2499","","","","","","1.1","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122343","12.5529","0.0005","9.9941","0.0004","17.6881","0.0008","90","","90","","90","","2219.06","0.16","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H12 Cu N6 O4 -","- C18 H12 Cu N6 O4 -","- C72 H48 Cu4 N24 O16 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.0531","0.0368","","","0.1036","0.1143","","","","","","1.039","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122344","12.6065","0.0008","10.137","0.001","17.5701","0.0012","90","","90","","90","","2245.3","0.3","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H14 Cu N6 O5 -","- C18 H14 Cu N6 O5 -","- C72 H56 Cu4 N24 O20 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.1106","0.0669","","","0.1926","0.234","","","","","","1.051","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122345","12.6285","0.0009","10.0104","0.0007","17.6492","0.001","90","","90","","90","","2231.1","0.3","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H12 Cu N6 O4 -","- C18 H12 Cu N6 O4 -","- C72 H48 Cu4 N24 O16 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.0871","0.0572","","","0.1304","0.1496","","","","","","1.051","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122346","12.3348","0.0009","9.936","0.0007","17.8259","0.0014","90","","90","","90","","2184.7","0.3","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18.75 H12 Cu N6 O5.5 -","- C18.75 H12 Cu N6 O5.5 -","- C75 H48 Cu4 N24 O22 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.1224","0.0637","","","0.1773","0.2099","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122347","12.6868","0.0009","9.9923","0.0006","17.6153","0.0007","90","","90","","90","","2233.1","0.2","120","2","120","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H12 Cu N6 O4 -","- C18 H12 Cu N6 O4 -","- C72 H48 Cu4 N24 O16 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.1071","0.0506","","","0.1414","0.168","","","","","","1.017","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122348","6.221","0.0008","6.9277","0.0009","12.0077","0.0016","81.138","0.002","88.858","0.001","71.3","0.002","484.09","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N6 O8 -","- C18 H20 Cu N6 O8 -","- C18 H20 Cu N6 O8 -","1","0.5","","Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen","Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.","Journal of the American Chemical Society","2014","136","31","10906","10909","10.1021/ja506357n","","","0.71073","MoKα","","0.0296","0.0282","","","0.069","0.0698","","","","","","1.099","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122349","37.143","0.005","13.161","0.003","34.426","0.005","90","","93.675","0.01","90","","16794","5","100","2","100.01","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C114 H140 F48 N12 O20 P8 Pt2 S8 -","- C114 H140 F48 N12 O20 P8 Pt2 S8 -","- C456 H560 F192 N48 O80 P32 Pt8 S32 -","4","0.5","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.1189","0.0848","","","0.2084","0.2244","","","","","","1.074","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122350","13.7152","0.0005","20.7673","0.0007","33.7422","0.001","105.106","0.002","92.137","0.002","103.604","0.002","8968.4","0.5","100","2","100.04","","","","","","","","","8","P -1","-P 1","2","","","","- C128 H158 F45 N18 O22 P7 Pd2 S8 -","- C128 H158 F45 N18 O22 P7 Pd2 S8 -","- C256 H316 F90 N36 O44 P14 Pd4 S16 -","2","1","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.1481","0.1274","","","0.375","0.3933","","","","","","1.609","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122351","13.8756","0.0005","17.1561","0.0007","21.5948","0.0008","72.636","0.002","71.569","0.002","68.962","0.001","4451.5","0.3","100","2","99.96","","","","","","","","","8","P -1","-P 1","2","","","","- C130 H164 F42 N20 O28 P7 Pt2 S10 -","- C130 H164 F42 N20 O28 P7 Pt2 S10 -","- C130 H164 F42 N20 O28 P7 Pt2 S10 -","1","0.5","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.0753","0.0645","","","0.1744","0.1857","","","","","","1.112","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122352","35.6937","0.001","12.349","0.0004","39.6287","0.0011","90","","99.3191","0.0019","90","","17237.1","0.9","100","2","100.05","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C118 H146 F48 N14 O20 P8 Pt2 S8 -","- C118 H146 F47.988 N14 O20 P7.998 Pt2 S8 -","- C472 H584 F191.952 N56 O80 P31.992 Pt8 S32 -","4","0.5","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.1332","0.1208","","","0.3123","0.3193","","","","","","1.168","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122353","35.8988","0.0019","12.3423","0.0006","39.878","0.002","90","","100.002","0.004","90","","17400.4","1.5","100","2","99.99","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C114 H140 F48 N12 O20 P8 Pd2 S8 -","- C114 H140 F47.988 N12 O20 P7.998 Pd2 S8 -","- C456 H560 F191.952 N48 O80 P31.992 Pd8 S32 -","4","0.5","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.1534","0.1249","","","0.3567","0.3771","","","","","","1.541","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122354","20.9976","0.0011","33.2264","0.0017","26.4897","0.0015","90","","100.672","0.003","90","","18161.5","1.7","100","2","99.99","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C140 H179 F48 N25 O20 P8 Pt2 S8 -","- C140 H179 F48 N25 O20 P8 Pt2 S8 -","- C560 H716 F192 N100 O80 P32 Pt8 S32 -","4","1","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.0661","0.0544","","","0.1385","0.1454","","","","","","1.035","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122355","17.1706","0.0008","20.6416","0.001","27.7781","0.0014","104.377","0.002","102.42","0.002","99.953","0.002","9043.6","0.8","100","2","99.99","","","","","","","","","9","P -1","-P 1","2","","","","- C132 H167 Cl2 F42 N21 O28 P7 Pt2 S8 -","- C132 H167 Cl2 F42 N21 O28 P7 Pt2 S8 -","- C264 H334 Cl4 F84 N42 O56 P14 Pt4 S16 -","2","1","","Frasconi, Marco; Kikuchi, Takashi; Cao, Dennis; Wu, Yilei; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Sarjeant, Amy A.; Stern, Charlotte L.; Carmieli, Raanan; Wang, Cheng; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Mechanical bonds and topological effects in radical dimer stabilization.","Journal of the American Chemical Society","2014","136","31","11011","11026","10.1021/ja504662a","","","1.54178","CuKα","","0.061","0.0581","","","0.1591","0.1617","","","","","","1.034","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122356","9.835","0.005","15.598","0.007","17.538","0.008","91.992","0.009","98.322","0.011","100.485","0.008","2612","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H69 N5 O8 S2 -","- C54 H69 N5 O8 S2 -","- C108 H138 N10 O16 S4 -","2","1","","Minami, Tsuyoshi; Liu, Yuanli; Akdeniz, Ali; Koutnik, Petr; Esipenko, Nina A.; Nishiyabu, Ryuhei; Kubo, Yuji; Anzenbacher, Jr, Pavel","Intramolecular indicator displacement assay for anions: supramolecular sensor for glyphosate.","Journal of the American Chemical Society","2014","136","32","11396","11401","10.1021/ja504535q","","","0.71075","MoKα","","0.1693","0.1031","","","0.2235","0.2604","","","","","","1.047","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122357","18.444","0.004","16.057","0.004","29.515","0.007","90","","100.282","0.003","90","","8601","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H124 Fe2 O8 S4 Ti2 -","- C88 H124 Fe2 O8 S4 Ti2 -","- C352 H496 Fe8 O32 S16 Ti8 -","4","1","","Wang, Xinke; Thevenon, Arnaud; Brosmer, Jonathan L.; Yu, Insun; Khan, Saeed I.; Mehrkhodavandi, Parisa; Diaconescu, Paula L.","Redox Control of Group 4 Metal Ring-Opening Polymerization Activity toward l-Lactide and ε-Caprolactone.","Journal of the American Chemical Society","2014","136","32","11264","11267","10.1021/ja505883u","","","0.71073","MoKα","","0.0524","0.0358","","","0.0859","0.0945","","","","","","1.022","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122358","10.836","0.007","11.793","0.007","19.921","0.012","76.643","0.006","78.145","0.006","77.061","0.006","2382","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H76 Fe N2 O4 Zr -","- C50 H76 Fe N2 O4 Zr -","- C100 H152 Fe2 N4 O8 Zr2 -","2","1","","Wang, Xinke; Thevenon, Arnaud; Brosmer, Jonathan L.; Yu, Insun; Khan, Saeed I.; Mehrkhodavandi, Parisa; Diaconescu, Paula L.","Redox Control of Group 4 Metal Ring-Opening Polymerization Activity toward l-Lactide and ε-Caprolactone.","Journal of the American Chemical Society","2014","136","32","11264","11267","10.1021/ja505883u","","","0.71073","MoKα","","0.0779","0.0601","","","0.1778","0.1913","","","","","","1.034","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122359","15.096","0.0015","21.837","0.002","15.1478","0.0015","90","","105.24","0.001","90","","4817.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Fe O4 S2 Zr -","- C48 H70 Fe O4 S2 Zr -","- C192 H280 Fe4 O16 S8 Zr4 -","4","1","","Wang, Xinke; Thevenon, Arnaud; Brosmer, Jonathan L.; Yu, Insun; Khan, Saeed I.; Mehrkhodavandi, Parisa; Diaconescu, Paula L.","Redox Control of Group 4 Metal Ring-Opening Polymerization Activity toward l-Lactide and ε-Caprolactone.","Journal of the American Chemical Society","2014","136","32","11264","11267","10.1021/ja505883u","","","0.71073","MoKα","","0.0377","0.0285","","","0.0652","0.0695","","","","","","1.028","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122360","14.473","0.005","15.609","0.006","24.403","0.012","100.831","0.006","97.394","0.006","108.14","0.004","5041","4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H82 B F24 Fe O4 S2 Zr -","- C80 H82 B F24 Fe O4 S2 Zr -","- C160 H164 B2 F48 Fe2 O8 S4 Zr2 -","2","1","","Wang, Xinke; Thevenon, Arnaud; Brosmer, Jonathan L.; Yu, Insun; Khan, Saeed I.; Mehrkhodavandi, Parisa; Diaconescu, Paula L.","Redox Control of Group 4 Metal Ring-Opening Polymerization Activity toward l-Lactide and ε-Caprolactone.","Journal of the American Chemical Society","2014","136","32","11264","11267","10.1021/ja505883u","","","0.71073","MoKα","","0.1033","0.0586","","","0.1466","0.1626","","","","","","0.934","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122361","20.1882","0.0003","53.1595","0.0011","10.6226","0.0002","90","","90","","90","","11400.1","0.4","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C26 H32 B Cl Ge N4 -","- C26 H32 B Cl Ge N4 -","- C416 H512 B16 Cl16 Ge16 N64 -","16","1","","Xiong, Yun; Szilvási, Tibor; Yao, Shenglai; Tan, Gengwen; Driess, Matthias","Synthesis and Unexpected Reactivity of Germyliumylidene Hydride [:GeH](+) Stabilized by a Bis(N-heterocyclic carbene)borate Ligand.","Journal of the American Chemical Society","2014","136","32","11300","11303","10.1021/ja506824s","","","0.71073","MoKα","","0.0692","0.0645","","","0.1768","0.1831","","","","","","1.059","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122362","7.5731","0.0003","10.4197","0.0004","17.7599","0.0007","97.417","0.003","101.763","0.003","110.37","0.003","1255.27","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 B Ge N4 -","- C26 H33 B Ge N4 -","- C52 H66 B2 Ge2 N8 -","2","1","","Xiong, Yun; Szilvási, Tibor; Yao, Shenglai; Tan, Gengwen; Driess, Matthias","Synthesis and Unexpected Reactivity of Germyliumylidene Hydride [:GeH](+) Stabilized by a Bis(N-heterocyclic carbene)borate Ligand.","Journal of the American Chemical Society","2014","136","32","11300","11303","10.1021/ja506824s","","","1.54184","CuKα","","0.0393","0.0378","","","0.0975","0.0983","","","","","","1.068","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122363","19.2755","0.0001","15.9897","0.0001","20.4354","0.0001","90","","100.198","0.001","90","","6198.88","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H48 B2 F20 Ge N4 -","- C69 H48 B2 F20 Ge N4 -","- C276 H192 B8 F80 Ge4 N16 -","4","1","","Xiong, Yun; Szilvási, Tibor; Yao, Shenglai; Tan, Gengwen; Driess, Matthias","Synthesis and Unexpected Reactivity of Germyliumylidene Hydride [:GeH](+) Stabilized by a Bis(N-heterocyclic carbene)borate Ligand.","Journal of the American Chemical Society","2014","136","32","11300","11303","10.1021/ja506824s","","","1.54184","CuKα","","0.0458","0.0412","","","0.1091","0.1134","","","","","","1.031","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122364","12.6153","0.0001","21.4829","0.0002","28.9327","0.0003","90","","94.419","0.001","90","","7817.83","0.13","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C76 H65 B3 F20 Ge2 N8 -","- C76 H65 B3 F20 Ge2 N8 -","- C304 H260 B12 F80 Ge8 N32 -","4","0.5","","Xiong, Yun; Szilvási, Tibor; Yao, Shenglai; Tan, Gengwen; Driess, Matthias","Synthesis and Unexpected Reactivity of Germyliumylidene Hydride [:GeH](+) Stabilized by a Bis(N-heterocyclic carbene)borate Ligand.","Journal of the American Chemical Society","2014","136","32","11300","11303","10.1021/ja506824s","","","1.54184","CuKα","","0.0424","0.0387","","","0.0976","0.1001","","","","","","1.045","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122365","24.038","0.001","12.212","0.001","25.595","0.001","90","","102.96","0.001","90","","7322.1","0.7","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H80 Cu4 I4 O2 P4 Si4 -","- C64 H80 Cu4 I4 O2 P4 Si4 -","- C256 H320 Cu16 I16 O8 P16 Si16 -","4","0.5","","Benito, Quentin; Le Goff, Xavier F.; Maron, Sébastien; Fargues, Alexandre; Garcia, Alain; Martineau, Charlotte; Taulelle, Francis; Kahlal, Samia; Gacoin, Thierry; Boilot, Jean-Pierre; Perruchas, Sandrine","Polymorphic copper iodide clusters: insights into the mechanochromic luminescence properties.","Journal of the American Chemical Society","2014","136","32","11311","11320","10.1021/ja500247b","","","0.71069","MoKα","","0.0626","0.0369","","","0.1017","0.1169","","","","","","1.014","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122366","13.842","0.001","21.994","0.001","27.547","0.001","68.732","0.001","88.849","0.001","89.974","0.001","7813.5","0.7","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C65 H81 Cl3 Cu4 I4 O2 P4 Si4 -","- C64.5 H80.5 Cl1.5 Cu4 I4 O2 P4 Si4 -","- C258 H322 Cl6 Cu16 I16 O8 P16 Si16 -","4","2","","Benito, Quentin; Le Goff, Xavier F.; Maron, Sébastien; Fargues, Alexandre; Garcia, Alain; Martineau, Charlotte; Taulelle, Francis; Kahlal, Samia; Gacoin, Thierry; Boilot, Jean-Pierre; Perruchas, Sandrine","Polymorphic copper iodide clusters: insights into the mechanochromic luminescence properties.","Journal of the American Chemical Society","2014","136","32","11311","11320","10.1021/ja500247b","","","0.71069","MoKα","","0.066","0.0496","","","0.103","0.1125","","","","","","1.038","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122367","11.4948","0.0004","13.0509","0.0005","14.1702","0.0005","94.897","0.003","98.175","0.002","114.503","0.002","1889.93","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H34 Br2 Cl2 N4 O6 -","- C39 H34 Br2 Cl2 N4 O6 -","- C78 H68 Br4 Cl4 N8 O12 -","2","1","","Kundu, Pintu K.; Lerner, Avishai; Kučanda, Kristina; Leitus, Gregory; Klajn, Rafal","Cyclic Kinetics during Thermal Equilibration of an Axially Chiral Bis-Spiropyran.","Journal of the American Chemical Society","2014","136","32","11276","11279","10.1021/ja505948q","","","0.71073","MoKα","","0.0555","0.0353","","","0.081","0.0885","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122368","12.973","0.003","26.717","0.005","11.882","0.002","90","","105.3","0.03","90","","3972.3","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Br2 Cl4 N4 O6 -","- C40 H36 Br2 Cl4 N4 O6 -","- C160 H144 Br8 Cl16 N16 O24 -","4","1","","Kundu, Pintu K.; Lerner, Avishai; Kučanda, Kristina; Leitus, Gregory; Klajn, Rafal","Cyclic Kinetics during Thermal Equilibration of an Axially Chiral Bis-Spiropyran.","Journal of the American Chemical Society","2014","136","32","11276","11279","10.1021/ja505948q","","","0.71073","MoKα","","0.0597","0.0442","","","0.0895","0.0962","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122369","14.512","0.0005","22.916","0.001","12.015","0.0004","90","","113.674","0.009","90","","3659.4","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C39 H34 Br2 Cl2 N4 O6 -","- C39 H34 Br2 Cl2 N4 O6 -","- C156 H136 Br8 Cl8 N16 O24 -","4","1","","Kundu, Pintu K.; Lerner, Avishai; Kučanda, Kristina; Leitus, Gregory; Klajn, Rafal","Cyclic Kinetics during Thermal Equilibration of an Axially Chiral Bis-Spiropyran.","Journal of the American Chemical Society","2014","136","32","11276","11279","10.1021/ja505948q","","","0.71073","MoKα","","0.0378","0.0336","","","0.0763","0.0785","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122370","7.8436","0.0009","9.7124","0.0011","12.4551","0.0013","85.689","0.002","77.537","0.001","83.59","0.002","919.4","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl4 Co2 N10 O3 -","- C36 H28 Cl4 Co2 N10 O3 -","- C36 H28 Cl4 Co2 N10 O3 -","1","0.5","","Rhine, Melody A.; Rodrigues, Andria V.; Urbauer, Ramona J Bieber; Urbauer, Jeffrey L.; Stemmler, Timothy L.; Harrop, Todd C.","Proton-Induced Reactivity of NO(-) from a {CoNO}(8) Complex.","Journal of the American Chemical Society","2014","136","36","12560","12563","10.1021/ja5064444","","","0.71073","MoKα","","0.0618","0.0494","","","0.1318","0.1418","","","","","","1.052","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122371","11.086","0.008","12.066","0.008","14.35","0.01","90","","90","","90","","1920","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl2 Co N6 O3 -","- C18 H13 Cl2 Co N6 O3 -","- C72 H52 Cl8 Co4 N24 O12 -","4","1","","Rhine, Melody A.; Rodrigues, Andria V.; Urbauer, Ramona J Bieber; Urbauer, Jeffrey L.; Stemmler, Timothy L.; Harrop, Todd C.","Proton-Induced Reactivity of NO(-) from a {CoNO}(8) Complex.","Journal of the American Chemical Society","2014","136","36","12560","12563","10.1021/ja5064444","","","0.71073","MoKα","","0.1396","0.0753","","","0.1195","0.1406","","","","","","1.016","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122372","13.173","0.002","17.403","0.002","17.237","0.002","90","","108.58","0.02","90","","3745.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cl2 Fe N2 -","- C40 H62 Cl2 Fe N2 -","- C160 H248 Cl8 Fe4 N8 -","4","1","","Samuel, Prinson P.; Mondal, Kartik Chandra; Amin Sk, Nurul; Roesky, Herbert W.; Carl, Elena; Neufeld, Roman; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Ungur, Liviu; Chibotaru, Liviu F.; Christian, Jonathan; Ramachandran, Vasanth; van Tol, Johan; Dalal, Naresh S.","Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes.","Journal of the American Chemical Society","2014","136","34","11964","","10.1021/ja5043116","","","0.71073","MoKα","","0.0431","0.0317","","","0.0715","0.0764","","","","","","1.033","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122373","11.224","0.002","19.524","0.003","16.903","0.002","90","","97.29","0.02","90","","3674.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cl Fe N2 -","- C40 H62 Cl Fe N2 -","- C160 H248 Cl4 Fe4 N8 -","4","1","","Samuel, Prinson P.; Mondal, Kartik Chandra; Amin Sk, Nurul; Roesky, Herbert W.; Carl, Elena; Neufeld, Roman; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Ungur, Liviu; Chibotaru, Liviu F.; Christian, Jonathan; Ramachandran, Vasanth; van Tol, Johan; Dalal, Naresh S.","Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes.","Journal of the American Chemical Society","2014","136","34","11964","","10.1021/ja5043116","","","0.71073","MoKα","","0.0338","0.03","","","0.0715","0.0733","","","","","","1.031","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122374","13.666","0.002","15.211","0.002","18.071","0.003","68.51","0.02","89","0.02","68.72","0.02","3228","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H67 B F21 Fe N2 -","- C70 H67 B F20.999 Fe N2 -","- C140 H134 B2 F41.998 Fe2 N4 -","2","1","","Samuel, Prinson P.; Mondal, Kartik Chandra; Amin Sk, Nurul; Roesky, Herbert W.; Carl, Elena; Neufeld, Roman; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Ungur, Liviu; Chibotaru, Liviu F.; Christian, Jonathan; Ramachandran, Vasanth; van Tol, Johan; Dalal, Naresh S.","Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes.","Journal of the American Chemical Society","2014","136","34","11964","","10.1021/ja5043116","","","0.56086","AgKα","","0.0463","0.032","","","0.0707","0.0767","","","","","","1.024","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122375","20.238","0.007","7.02","0.002","16.081","0.005","90","","104.318","0.007","90","","2213.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 F3 N2 O2 -","- C26 H19 F3 N2 O2 -","- C104 H76 F12 N8 O8 -","4","1","","Shang, Ming; Wang, Hong-Li; Sun, Shang-Zheng; Dai, Hui-Xiong; Yu, Jin-Quan","Cu(II)-Mediated Ortho C-H Alkynylation of (Hetero)Arenes with Terminal Alkynes.","Journal of the American Chemical Society","2014","136","33","11590","11593","10.1021/ja507704b","","","0.71073","MoKα","","0.1412","0.067","","","0.1525","0.1853","","","","","","0.991","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122376","10.0589","0.0017","8.5755","0.0014","11.8802","0.0018","90","","102.345","0.004","90","","1001.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 B N3 -","- C9 H14 B N3 -","- C36 H56 B4 N12 -","4","1","","Chrostowska, Anna; Xu, Senmiao; Mazière, Audrey; Boknevitz, Katherine; Li, Bo; Abbey, Eric R.; Dargelos, Alain; Graciaa, Alain; Liu, Shih-Yuan","UV-Photoelectron Spectroscopy of BN Indoles: Experimental and Computational Electronic Structure Analysis.","Journal of the American Chemical Society","2014","136","33","11813","11820","10.1021/ja5063899","","","0.71073","MoKα","","0.0666","0.0551","","","0.151","0.1576","","","","","","1.08","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122377","8.2531","0.0004","8.6096","0.0004","9.5178","0.0004","79.778","0.002","67.137","0.002","86.49","0.002","613.25","0.05","75","","75","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 F3 N3 -","- C14 H9 F3 N3 -","- C28 H18 F6 N6 -","2","1","","Constantinides, Christos P.; Berezin, Andrey A.; Zissimou, Georgia A.; Manoli, Maria; Leitus, Gregory M.; Bendikov, Michael; Probert, Michael R.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","A Magnetostructural Investigation of an Abrupt Spin Transition for 1-Phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl.","Journal of the American Chemical Society","2014","136","34","11906","","10.1021/ja5063746","","x-ray","0.71073","MoKα","","0.0429","0.0346","","","0.0768","0.0811","","","","","","1.041","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122378","8.1117","0.0006","8.6455","0.0006","9.4731","0.0007","80.493","0.003","67.797","0.003","90.205","0.004","605.05","0.08","4","","4","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 F3 N3 -","- C14 H9 F3 N3 -","- C28 H18 F6 N6 -","2","1","","Constantinides, Christos P.; Berezin, Andrey A.; Zissimou, Georgia A.; Manoli, Maria; Leitus, Gregory M.; Bendikov, Michael; Probert, Michael R.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","A Magnetostructural Investigation of an Abrupt Spin Transition for 1-Phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl.","Journal of the American Chemical Society","2014","136","34","11906","","10.1021/ja5063746","","x-ray","0.71073","MoKα","","0.0455","0.0352","","","0.0748","0.0808","","","","","","1.07","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122379","8.269","0.0007","8.6278","0.0005","9.5105","0.0008","79.743","0.006","67.282","0.008","86.453","0.006","615.85","0.09","99.9","0.2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H9 F3 N3 -","- C14 H9 F3 N3 -","- C28 H18 F6 N6 -","2","1","","Constantinides, Christos P.; Berezin, Andrey A.; Zissimou, Georgia A.; Manoli, Maria; Leitus, Gregory M.; Bendikov, Michael; Probert, Michael R.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","A Magnetostructural Investigation of an Abrupt Spin Transition for 1-Phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl.","Journal of the American Chemical Society","2014","136","34","11906","","10.1021/ja5063746","","","1.54184","CuKα","","0.0372","0.036","","","0.0996","0.1007","","","","","","1.07","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122380","11.2431","0.0007","10.1867","0.0006","8.9687","0.0006","90","","104.512","0.007","90","","994.41","0.11","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 -","- C10 H10 N4 -","- C40 H40 N16 -","4","1","","Weston, Claire E.; Richardson, Robert D.; Haycock, Peter R.; White, Andrew J. P.; Fuchter, Matthew J.","Arylazopyrazoles: Azoheteroarene Photoswitches Offering Quantitative Isomerization and Long Thermal Half-Lives.","Journal of the American Chemical Society","2014","136","34","11878","","10.1021/ja505444d","","","0.71073","MoKα","","0.0613","0.043","","","0.0913","0.1014","","","","","","1.021","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122381","9.3288","0.0005","8.9949","0.0004","27.023","0.0013","90","","90","","90","","2267.54","0.19","173","","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N4 -","- C12 H14 N4 -","- C96 H112 N32 -","8","1","","Weston, Claire E.; Richardson, Robert D.; Haycock, Peter R.; White, Andrew J. P.; Fuchter, Matthew J.","Arylazopyrazoles: Azoheteroarene Photoswitches Offering Quantitative Isomerization and Long Thermal Half-Lives.","Journal of the American Chemical Society","2014","136","34","11878","","10.1021/ja505444d","","","0.71073","MoKα","","0.0599","0.0457","","","0.1032","0.1114","","","","","","1.044","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122382","10.9517","0.0002","9.02967","0.00016","13.0861","0.0003","90","","105.544","0.001","90","","1246.76","0.04","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C60 H68 N4 O4 -","2","1","","Azuma, Masayuki; Yoshikawa, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Biogenetically inspired total syntheses of lycopodium alkaloids, (+)-flabellidine and (-)-lycodine.","Journal of the American Chemical Society","2014","136","33","11618","11621","10.1021/ja507016g","","","1.54187","CuKα","","","0.05","","","","0.1137","","","","","","1.047","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122383","9.1575","0.00017","8.68997","0.00016","14.1387","0.0003","90","","110.322","0.0008","90","","1055.1","0.04","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H32 N2 O2 -","- C25 H32 N2 O2 -","- C50 H64 N4 O4 -","2","1","","Azuma, Masayuki; Yoshikawa, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Biogenetically inspired total syntheses of lycopodium alkaloids, (+)-flabellidine and (-)-lycodine.","Journal of the American Chemical Society","2014","136","33","11618","11621","10.1021/ja507016g","","","1.54187","CuKα","","","0.0437","","","","0.1065","","","","","","1.079","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122384","18.3618","0.0015","11.6411","0.001","25.598","0.002","90","","90","","90","","5471.6","0.8","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H32 Br2 N2 O2 -","- C30 H32 Br2 N2 O2 -","- C240 H256 Br16 N16 O16 -","8","2","","Azuma, Masayuki; Yoshikawa, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Biogenetically inspired total syntheses of lycopodium alkaloids, (+)-flabellidine and (-)-lycodine.","Journal of the American Chemical Society","2014","136","33","11618","11621","10.1021/ja507016g","","","0.71073","","","0.0505","0.0421","","","0.0919","0.0973","","","","","","1.037","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122385","17.0006","0.0002","20.7788","0.0003","43.9704","0.0007","90","","90.9576","0.0014","90","","15530.5","0.4","123","0.1","123","0.1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C276 H212 B6 Cu3 F24 N22 O26 -","- C276 H212 B6 Cu3 F24 N22 O26 -","- C552 H424 B12 Cu6 F48 N44 O52 -","2","0.5","","Gütz, Christoph; Hovorka, Rainer; Struch, Niklas; Bunzen, Jens; Meyer-Eppler, Georg; Qu, Zheng-Wang; Grimme, Stefan; Topić, Filip; Rissanen, Kari; Cetina, Mario; Engeser, Marianne; Lützen, Arne","Enantiomerically Pure Trinuclear Helicates via Diastereoselective Self-Assembly and Characterization of Their Redox Chemistry.","Journal of the American Chemical Society","2014","136","33","11830","11838","10.1021/ja506327c","","","1.54184","CuKα","","0.0992","0.0855","","","0.2383","0.265","","","","","","1.069","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122386","6.8074","0.0006","21.719","0.002","7.9131","0.0007","90","","90","","90","","1169.95","0.18","200","2","200","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","0.5","","Hsu, Yen-Hao; Chen, Yi-An; Tseng, Huan-Wei; Zhang, Zhiyun; Shen, Jiun-Yi; Chuang, Wei-Ti; Lin, Tzu-Chieh; Lee, Chun-Shu; Hung, Wen-Yi; Hong, Bor-Cherng; Liu, Shih-Hung; Chou, Pi-Tai","Locked ortho- and para-Core Chromophores of Green Fluorescent Protein; Dramatic Emission Enhancement via Structural Constraint.","Journal of the American Chemical Society","2014","136","33","11805","11812","10.1021/ja5062856","","","0.71073","MoKα","","0.0419","0.0376","","","0.0908","0.0934","","","","","","1.058","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122387","10.14297","0.00019","15.8652","0.0003","15.3256","0.0003","90","","93.3717","0.0017","90","","2461.93","0.08","173","","173","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C61 H45 Cl N2 O P2 Ru S -","- C61 H45 Cl N2 O P2 Ru S -","- C122 H90 Cl2 N4 O2 P4 Ru2 S2 -","2","1","","Moragues, María E; Toscani, Anita; Sancenón, Félix; Mart\?ínez-Máñez, Ramón; White, Andrew J. P.; Wilton-Ely, James D E T","A Chromo-Fluorogenic Synthetic ""Canary"" for CO Detection Based on a Pyrenylvinyl Ruthenium(II) Complex.","Journal of the American Chemical Society","2014","136","34","11930","11933","10.1021/ja507014a","","","0.71073","MoKα","","0.0372","0.0289","","","0.056","0.0583","","","","","","1.032","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122388","10.2934","0.0002","14.2153","0.0004","17.9941","0.0005","101.858","0.003","99.784","0.002","104.373","0.002","2427.39","0.12","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C56.5 H42 Cl2 O2 P2 Ru -","- C56 H41 Cl O2 P2 Ru -","- C112 H82 Cl2 O4 P4 Ru2 -","2","1","","Moragues, María E; Toscani, Anita; Sancenón, Félix; Mart\?ínez-Máñez, Ramón; White, Andrew J. P.; Wilton-Ely, James D E T","A Chromo-Fluorogenic Synthetic ""Canary"" for CO Detection Based on a Pyrenylvinyl Ruthenium(II) Complex.","Journal of the American Chemical Society","2014","136","34","11930","11933","10.1021/ja507014a","","","0.71073","MoKα","","0.0383","0.0309","","","0.084","0.0885","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122389","16.8857","0.0011","15.4251","0.001","17.7335","0.0012","90","","108.652","0.001","90","","4376.3","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O2 S -","- C26 H22 N2 O2 S -","- C208 H176 N16 O16 S8 -","8","1","","Lee, Dong Jin; Han, Hong Sik; Shin, Jinhwan; Yoo, Eun Jeong","Multicomponent [5 + 2] cycloaddition reaction for the synthesis of 1,4-diazepines: isolation and reactivity of azomethine ylides.","Journal of the American Chemical Society","2014","136","33","11606","11609","10.1021/ja5061609","","","0.71073","MoKα","","0.1175","0.0549","","","0.1266","0.1712","","","","","","1.039","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122390","17.4891","0.0013","15.2366","0.0011","25.185","0.0018","90","","104.285","0.001","90","","6503.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 N2 O11 P8 -","- C72 H60 N2 O11 P8 -","- C288 H240 N8 O44 P32 -","4","1","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0581","0.0407","","","0.1009","0.1127","","","","","","1.044","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122391","12.3062","0.0011","13.1808","0.0012","21.0215","0.0018","90","","105.085","0.002","90","","3292.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H64 N2 O12 P8 -","- C72.99 H63.99 N2 O12 P8 -","- C145.98 H127.98 N4 O24 P16 -","2","0.5","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0796","0.0592","","","0.1558","0.1741","","","","","","1.035","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122392","11.1026","0.0013","13.4157","0.0015","26.153","0.003","99.245","0.003","98.482","0.003","92.599","0.003","3793.3","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H79 N5 O13 P8 Sn -","- C72 H60 N2 O12 P8 Sn -","- C144 H120 N4 O24 P16 Sn2 -","2","1","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0352","0.0299","","","0.0767","0.079","","","","","","1.044","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122393","19.9148","0.0009","16.3924","0.0007","19.9502","0.0009","90","","90","","90","","6512.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72 H62 N2 O12 P8 -","- C72 H62 N2 O12 P8 -","- C288 H248 N8 O48 P32 -","4","0.5","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0465","0.0371","","","0.097","0.1039","","","","","","1.042","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122394","9.1075","0.0006","15.6495","0.001","24.771","0.0015","90","","96.561","0.001","90","","3507.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C153.41 H136.92 Cr2 N7.3 O24.7 P16 -","- C153.408 H136.928 Cr2 N7.296 O24.704 P16 -","- C153.408 H136.928 Cr2 N7.296 O24.704 P16 -","1","0.25","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0731","0.0494","","","0.1274","0.1448","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122395","8.3968","0.0007","11.0492","0.0005","15.0735","0.0005","78.892","0.005","77.533","0.011","89.288","0.006","1339.31","0.15","50","","50","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H15 O4 S12 -","- C24 H15 O4 S12 -","- C48 H30 O8 S24 -","2","1","","Ueda, Akira; Yamada, Shota; Isono, Takayuki; Kamo, Hiromichi; Nakao, Akiko; Kumai, Reiji; Nakao, Hironori; Murakami, Youichi; Yamamoto, Kaoru; Nishio, Yutaka; Mori, Hatsumi","Hydrogen-Bond-Dynamics-Based Switching of Conductivity and Magnetism: A Phase Transition Caused by Deuterium and Electron Transfer in a Hydrogen-Bonded Purely Organic Conductor Crystal.","Journal of the American Chemical Society","2014","136","34","12184","","10.1021/ja507132m","","","1","synchrotron","","","0.0497","","","","0.1435","","","","","","1.017","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122396","29.3102","0.0005","8.4609","0.0005","11.2404","0.0007","90","","100.833","0.0007","90","","2737.8","0.2","270","","270","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 O4 S12 -","- C24 H15 O4 S12 -","- C96 H60 O16 S48 -","4","0.5","","Ueda, Akira; Yamada, Shota; Isono, Takayuki; Kamo, Hiromichi; Nakao, Akiko; Kumai, Reiji; Nakao, Hironori; Murakami, Youichi; Yamamoto, Kaoru; Nishio, Yutaka; Mori, Hatsumi","Hydrogen-Bond-Dynamics-Based Switching of Conductivity and Magnetism: A Phase Transition Caused by Deuterium and Electron Transfer in a Hydrogen-Bonded Purely Organic Conductor Crystal.","Journal of the American Chemical Society","2014","136","34","12184","","10.1021/ja507132m","","","1","synchrotron","","","0.0344","","","","0.096","","","","","","1.01","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122397","29.158","0.003","15.807","0.0017","20.093","0.002","90","","127.454","0.003","90","","7351.7","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis-phosphonium-Naphthalenediimide Mono-tetraphenylborate radical cation","","","- C86 H78 B N2 O4 P2 -","- C86 H78 B N2 O4 P2 -","- C344 H312 B4 N8 O16 P8 -","4","0.5","","Kumar, Sharvan; Ajayakumar, M. R.; Hundal, Geeta; Mukhopadhyay, Pritam","Extraordinary stability of naphthalenediimide radical ion and its ultra-electron-deficient precursor: strategic role of the phosphonium group.","Journal of the American Chemical Society","2014","136","34","12004","12010","10.1021/ja504903j","","","0.71073","MoKα","","0.0901","0.0542","","","0.1239","0.1383","","","","","","0.933","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122398","11.263","0.003","12.13","0.004","12.624","0.005","105.577","0.005","101.089","0.003","110.247","0.005","1479","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Bis-phosphonium Naphthalenediimide bis-tetrafluoroborate","","","- C62 H58 B2 F8 N2 O4 P2 -","- C62 H58 B2 F8 N2 O4 P2 -","- C62 H58 B2 F8 N2 O4 P2 -","1","0.5","","Kumar, Sharvan; Ajayakumar, M. R.; Hundal, Geeta; Mukhopadhyay, Pritam","Extraordinary stability of naphthalenediimide radical ion and its ultra-electron-deficient precursor: strategic role of the phosphonium group.","Journal of the American Chemical Society","2014","136","34","12004","12010","10.1021/ja504903j","","","0.71073","MoKα","","0.0873","0.0547","","","0.1287","0.1403","","","","","","1.039","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122399","8.9765","0.001","14.1455","0.0015","22.268","0.003","90","","98.591","0.002","90","","2795.8","0.6","93","","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 Cl2 N O3 P Pd S -","- C25 H40 Cl2 N O3 P Pd S -","- C100 H160 Cl8 N4 O12 P4 Pd4 S4 -","4","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.71075","MoKα","","0.031","0.0301","","","0.0676","0.0683","","","","","","1.124","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122400","9.359","0.002","27.437","0.007","15.074","0.004","90","","104.467","0.003","90","","3748","1.6","93","","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H56 Cl2 N O3 P Pd S -","- C33 H56 Cl2 N O3 P Pd S -","- C132 H224 Cl8 N4 O12 P4 Pd4 S4 -","4","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.71075","MoKα","","0.043","0.0376","","","0.0795","0.0827","","","","","","1.071","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122401","13.797","0.012","8.394","0.007","18.318","0.016","90","","91.825","0.004","90","","2120","3","103.15","","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N O3 P Pd S -","- C20 H30 N O3 P Pd S -","- C80 H120 N4 O12 P4 Pd4 S4 -","4","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.7107","MoKα","","0.0956","0.0819","","","0.1676","0.1764","","","","","","1.233","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122402","13.59","0.003","16.051","0.004","16.89","0.004","90","","111.273","0.0011","90","","3433.2","1.4","103","2","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl6 N O3 P Pd S -","- C28 H40 Cl6 N O3 P Pd S -","- C112 H160 Cl24 N4 O12 P4 Pd4 S4 -","4","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.7107","MoKα","","0.0335","0.0308","","","0.0721","0.0737","","","","","","1.08","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122403","9.8649","0.0015","15.274","0.002","12.1669","0.0019","90","","111.051","0.0017","90","","1710.9","0.4","93","","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H54 N O3 P Pd S -","- C34 H54 N O3 P Pd S -","- C68 H108 N2 O6 P2 Pd2 S2 -","2","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.71075","MoKα","","0.0296","0.0286","","","0.0553","0.056","","","","","","1.088","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122404","8.496","0.002","33.064","0.008","8.677","0.002","90","","107.978","0.003","90","","2318.5","0.9","93","","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 N O3 P Pd S -","- C22 H34 N O3 P Pd S -","- C88 H136 N4 O12 P4 Pd4 S4 -","4","1","","Ota, Yusuke; Ito, Shingo; Kuroda, Jun-Ichi; Okumura, Yoshikuni; Nozaki, Kyoko","Quantification of the Steric Influence of Alkylphosphine-Sulfonate Ligands on Polymerization, Leading to High-Molecular-Weight Copolymers of Ethylene and Polar Monomers.","Journal of the American Chemical Society","2014","136","34","11898","","10.1021/ja505558e","","","0.71075","MoKα","","0.0559","0.0504","","","0.107","0.111","","","","","","1.128","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122405","12.807","0.003","19.191","0.004","13.761","0.003","90","","91.137","0.009","90","","3381.5","1.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","CC4-244","hartwig54","","- C57 H79 O16 P2 Rh Si3 -","- C57 H79 O16 P2 Rh Si3 -","- C114 H158 O32 P4 Rh2 Si6 -","2","1","","Cheng, Chen; Hartwig, John F.","Mechanism of the Rhodium-Catalyzed Silylation of Arene C-H Bonds.","Journal of the American Chemical Society","2014","136","34","12064","","10.1021/ja505844k","","","0.71073","MoKα","","0.0374","0.0332","","","0.076","0.0786","","","","","","1.024","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4122406","7.9765","0.0012","13.299","0.002","18.161","0.003","90","","98.877","0.007","90","","1903.4","0.5","100","2","99.98","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O3 -","- C24 H24 O3 -","- C96 H96 O12 -","4","1","","Grenning, Alexander J.; Boyce, Jonathan H.; Porco, Jr, John A","Rapid Synthesis of Polyprenylated Acylphloroglucinol Analogs via Dearomative Conjunctive Allylic Annulation.","Journal of the American Chemical Society","2014","136","33","11799","11804","10.1021/ja5060302","","","1.54178","CuKα","","0.0444","0.0414","","","0.101","0.103","","","","","","1.075","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122407","9.1291","0.0013","10.2451","0.0015","13.7745","0.0017","101.548","0.004","93.004","0.004","100.111","0.004","1237.5","0.3","198","2","198","2","","","","","","","","5","P 1","P 1","1","ccs21feb13","","","- C42 H88 Li4 N4 O6 -","- C42 H88 Li4 N4 O6 -","- C42 H88 Li4 N4 O6 -","1","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.047","0.0429","","","0.1118","0.116","","","","","","1.035","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122408","10.214","0.002","13.715","0.003","34.474","0.007","90","","90","","90","","4829.3","1.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ccs17dec12","","","- C40 H84 Li4 N4 O6 -","- C40 H84 Li4 N4 O6 -","- C160 H336 Li16 N16 O24 -","4","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.0562","0.0448","","","0.1153","0.123","","","","","","1.039","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122409","8.9565","0.0018","10.492","0.002","18.558","0.005","89.85","0.04","82.26","0.04","65.3","0.03","1567.1","0.7","296","2","296","2","","","","","","","","5","P 1","P 1","1","ccs11dec12","","","- C54 H116 Li4 N4 O6 -","- C54 H116 Li4 N4 O6 -","- C54 H116 Li4 N4 O6 -","1","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.1767","0.0992","","","0.1818","0.2054","","","","","","1.085","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4122410","8.9946","0.0006","37.481","0.002","9.9308","0.0007","90","","105.613","0.004","90","","3224.4","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","ccs15nov12","","","- C58 H122 Li4 N4 O7 -","- C58 H122 Li4 N4 O7 -","- C116 H244 Li8 N8 O14 -","2","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.0515","0.0493","","","0.1395","0.142","","","","","","1.085","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122411","14.037","0.005","10.268","0.004","17.665","0.006","90","","105.542","0.012","90","","2453","1.5","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H88 Li4 N4 O6 -","- C40 H88 Li4 N4 O6 -","- C80 H176 Li8 N8 O12 -","2","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.0591","0.0482","","","0.1163","0.1234","","","","","","1.04","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4122412","9.5393","0.0009","15.8463","0.0014","10.6314","0.001","90","","116.505","0.003","90","","1438.2","0.2","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","ccs14jul13","","","- C25 H54 Li2 N2 O3 -","- C25 H54 Li2 N2 O3 -","- C50 H108 Li4 N4 O6 -","2","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.051","0.0432","","","0.1048","0.1107","","","","","","1.032","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122413","10.8399","0.0009","12.751","0.001","36.398","0.003","90","","90","","90","","5030.9","0.7","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ccs23feb13","","","- C42 H92 Li4 N4 O6 -","- C42 H92 Li4 N4 O6 -","- C168 H368 Li16 N16 O24 -","4","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.0787","0.072","","","0.1966","0.2028","","","","","","1.03","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122414","11.7311","0.0011","23.326","0.002","8.5134","0.0008","90","","105.081","0.001","90","","2249.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O6 -","- C27 H23 N O6 -","- C108 H92 N4 O24 -","4","1","","Nicolaou, K. C.; Hale, Christopher R. H.; Nilewski, Christian; Ioannidou, Heraklidia A.; ElMarrouni, Abdelatif; Nilewski, Lizanne G.; Beabout, Kathryn; Wang, Tim T.; Shamoo, Yousif","Total synthesis of viridicatumtoxin B and analogues thereof: strategy evolution, structural revision, and biological evaluation.","Journal of the American Chemical Society","2014","136","34","12137","12160","10.1021/ja506472u","","","0.71073","MoKα","","0.0683","0.0492","","","0.1443","0.1681","","","","","","0.987","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122415","16.0786","0.0003","10.613","0.0002","14.3637","0.0002","90","","95.66","0.0007","90","","2439.1","0.07","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 O7 -","- C29 H34 O7 -","- C116 H136 O28 -","4","1","","Nicolaou, K. C.; Hale, Christopher R. H.; Nilewski, Christian; Ioannidou, Heraklidia A.; ElMarrouni, Abdelatif; Nilewski, Lizanne G.; Beabout, Kathryn; Wang, Tim T.; Shamoo, Yousif","Total synthesis of viridicatumtoxin B and analogues thereof: strategy evolution, structural revision, and biological evaluation.","Journal of the American Chemical Society","2014","136","34","12137","12160","10.1021/ja506472u","","x-ray","1.54178","CuKα","","0.0402","0.0366","","","0.0954","0.0977","","","","","","1.046","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122416","8.416","0.004","8.646","0.004","12.186","0.005","90","","90.944","0.007","90","","886.6","0.7","150","2","149.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N4 O6 -","- C6 H4 N4 O6 -","- C24 H16 N16 O24 -","4","1","","Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate.","Journal of the American Chemical Society","2014","136","34","11934","","10.1021/ja5074036","","","0.71073","MoKα","","0.1349","0.0987","","","0.2784","0.3233","","","","","","1.151","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122417","4.871","0.0008","4.871","0.0008","32.266","0.006","90","","90","","90","","765.6","0.2","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","1-nitrourea","","- C H3 N3 O3 -","- C H3 N3 O3 -","- C8 H24 N24 O24 -","8","1","","Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate.","Journal of the American Chemical Society","2014","136","34","11934","","10.1021/ja5074036","","","0.71073","MoKα","","0.0261","0.0239","","","0.0656","0.0672","","","","","","1.139","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122418","11.866","0.004","6.713","0.002","10.848","0.004","90","","93.929","0.004","90","","862.1","0.5","293","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-N,2,2,2-tetranitroacetimidic acid","","- C2 H N5 O9 -","- C2 H N5 O9 -","- C8 H4 N20 O36 -","4","1","","Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate.","Journal of the American Chemical Society","2014","136","34","11934","","10.1021/ja5074036","","","0.71073","MoKα","","0.0962","0.0775","","","0.2329","0.2577","","","","","","1.071","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122419","5.8369","0.0003","10.0255","0.0006","14.6488","0.001","99.062","0.003","90.651","0.003","97.731","0.003","838.36","0.09","150","2","150.02","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H4 F0.5 N6 O13 S -","- C4 H7 F6 N5 O13 S2 -","- C8 H14 F12 N10 O26 S4 -","2","1","","Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate.","Journal of the American Chemical Society","2014","136","34","11934","","10.1021/ja5074036","","","0.71073","MoKα","","0.0683","0.0488","","","0.1127","0.122","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122420","6.1018","0.0009","9.0572","0.0014","30.82","0.005","90","","90","","90","","1703.3","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N O3 P S -","- C18 H20 N O3 P S -","- C72 H80 N4 O12 P4 S4 -","4","1","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","0.71073","MoKα","","0.0337","0.0301","","","0.0764","0.0789","","","","","","1.027","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122421","6.4382","0.0012","13.849","0.003","21.164","0.004","90","","90","","90","","1887","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","0.71073","MoKα","","0.0419","0.0352","","","0.0862","0.0897","","","","","","1.035","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122422","6.3278","0.0002","10.3004","0.0002","25.6219","0.0006","90","","90","","90","","1670.01","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N O2 P S -","- C18 H20 N O2 P S -","- C72 H80 N4 O8 P4 S4 -","4","1","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","1.54178","CuKα","","0.025","0.0244","","","0.064","0.0643","","","","","","1.059","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122423","9.2056","0.0018","10.937","0.002","11.481","0.002","90","","90.869","0.002","90","","1155.8","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H28 Cl N O4 S -","- C24 H28 Cl N O4 S -","- C48 H56 Cl2 N2 O8 S2 -","2","1","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","0.71073","MoKα","","0.029","0.0284","","","0.0786","0.0793","","","","","","1.053","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122424","12.406","0.003","10.684","0.003","14.798","0.004","90","","96.189","0.003","90","","1950","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H22 N O3 P S -","- C22 H22 N O3 P S -","- C88 H88 N4 O12 P4 S4 -","4","2","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","0.71073","MoKα","","0.0635","0.0435","","","0.0886","0.0971","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122425","27.62","0.0009","29.0891","0.0008","27.3169","0.0008","90","","90","","90","","21947.5","1.1","150","2","150","2","","","","","","","","4","P 2 2 21","P 2c 2","17","Au20(SPhBu-t)16","","","- C160 H208 Au20 S16 -","- C160 H208 Au20 S16 -","- C640 H832 Au80 S64 -","4","1","","Zeng, Chenjie; Liu, Chong; Chen, Yuxiang; Rosi, Nathaniel L.; Jin, Rongchao","Gold-Thiolate Ring as a Protecting Motif in the Au20(SR)16 Nanocluster and Implications.","Journal of the American Chemical Society","2014","136","34","11922","","10.1021/ja506802n","","","1.54178","CuKα","","0.1303","0.0568","","","0.1313","0.1663","","","","","","1.011","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122426","21.438","0.004","21.438","0.004","23.126","0.004","90","","90","","90","","10628","3","173","2","173","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- Cl5 Na O80 Si2 Sn9 W18 -","- Cl5 Na O80 Si2 Sn9 W18 -","- Cl20 Na4 O320 Si8 Sn36 W72 -","4","0.25","","Zhao, Chongchao; Glass, Elliot N.; Chica, Bryant; Musaev, Djamaladdin G.; Sumliner, Jordan M.; Dyer, R. Brian; Lian, Tianquan; Hill, Craig L.","All-Inorganic Networks and Tetramer Based on Tin(II)-Containing Polyoxometalates: Tuning Structural and Spectral Properties with Lone-Pairs.","Journal of the American Chemical Society","2014","136","34","12085","","10.1021/ja5060127","","","0.71073","MoKα","","0.1141","0.0685","","","0.155","0.1948","","","","","","1.151","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122427","21.416","0.003","21.416","0.003","23.133","0.003","90","","90","","90","","10610","3","173","2","173","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- Cl5 Ge2 Na O80 Sn9 W18 -","- Cl5 Ge2 Na O80 Sn9 W18 -","- Cl20 Ge8 Na4 O320 Sn36 W72 -","4","0.25","","Zhao, Chongchao; Glass, Elliot N.; Chica, Bryant; Musaev, Djamaladdin G.; Sumliner, Jordan M.; Dyer, R. Brian; Lian, Tianquan; Hill, Craig L.","All-Inorganic Networks and Tetramer Based on Tin(II)-Containing Polyoxometalates: Tuning Structural and Spectral Properties with Lone-Pairs.","Journal of the American Chemical Society","2014","136","34","12085","","10.1021/ja5060127","","","0.71073","MoKα","","0.1043","0.0666","","","0.1516","0.1747","","","","","","1.177","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122428","17.778","0.003","17.778","0.003","45.221","0.013","90","","90","","120","","12378","5","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Na9 O77.5 Sb2 Sn6 W18 -","- Na9 O78.47 Sb2 Sn6 W18 -","- Na54 O470.82 Sb12 Sn36 W108 -","6","0.166667","","Zhao, Chongchao; Glass, Elliot N.; Chica, Bryant; Musaev, Djamaladdin G.; Sumliner, Jordan M.; Dyer, R. Brian; Lian, Tianquan; Hill, Craig L.","All-Inorganic Networks and Tetramer Based on Tin(II)-Containing Polyoxometalates: Tuning Structural and Spectral Properties with Lone-Pairs.","Journal of the American Chemical Society","2014","136","34","12085","","10.1021/ja5060127","","","0.71073","MoKα","","0.1204","0.068","","","0.1841","0.2252","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122429","11.567","0.005","24.266","0.005","18.216","0.005","90","","95.568","0.005","90","","5089","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C121 H133 N10 V2 -","- C121 H133 N10 V2 -","- C242 H266 N20 V4 -","2","0.5","","Milsmann, Carsten; Semproni, Scott P.; Chirik, Paul J.","N-N Bond Cleavage of 1,2-Diarylhydrazines and N-H Bond Formation via H-Atom Transfer in Vanadium Complexes Supported by a Redox-Active Ligand.","Journal of the American Chemical Society","2014","136","34","12099","","10.1021/ja5062196","","","1.54184","CuKα","","0.0553","0.0413","","","0.1033","0.1108","","","","","","1.024","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122430","9.095","0.005","25.897","0.005","19.745","0.005","90","","98.202","0.005","90","","4603","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H58 N5 V -","- C55 H58 N5 V -","- C220 H232 N20 V4 -","4","1","","Milsmann, Carsten; Semproni, Scott P.; Chirik, Paul J.","N-N Bond Cleavage of 1,2-Diarylhydrazines and N-H Bond Formation via H-Atom Transfer in Vanadium Complexes Supported by a Redox-Active Ligand.","Journal of the American Chemical Society","2014","136","34","12099","","10.1021/ja5062196","","","1.54184","CuKα","","0.0525","0.0401","","","0.0956","0.1014","","","","","","1.025","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122431","9.2952","0.0005","10.6071","0.0005","11.2809","0.0005","97.188","0.001","103.871","0.001","95.533","0.002","1062.05","0.09","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","3-([1,1'-biphenyl]-4-yl)-5-(2-iodophenyl)-2-phenylfuran","","- C28 H19 I O -","- C28 H19 I O -","- C56 H38 I2 O2 -","2","1","","Lu, Beili; Wu, Junliang; Yoshikai, Naohiko","Palladium-catalyzed condensation of N-aryl imines and alkynylbenziodoxolones to form multisubstituted furans.","Journal of the American Chemical Society","2014","136","33","11598","11601","10.1021/ja5059795","","","0.71073","MoKα","","0.028","0.0248","","","0.0565","0.0583","","","","","","1.064","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122432","28.3662","0.0007","28.3662","0.0007","13.223","0.0004","90","","90","","90","","10639.8","0.5","100","2","100","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C480 H576 N32 O32 -","16","0.5","","Zheng, Yonghao; Miao, Mao-Sheng; Zhang, Yuan; Nguyen, Thuc-Quyen; Wudl, Fred","Striking Effect of Intra- versus Intermolecular Hydrogen Bonding on Zwitterions: Physical and Electronic Properties.","Journal of the American Chemical Society","2014","136","33","11614","11617","10.1021/ja506803y","","","0.71073","MoKα","","0.0584","0.0378","","","0.0923","0.102","","","","","","1.024","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4122433","5.9209","0.0006","10.6607","0.0012","17.0647","0.0019","90","","99.223","0.001","90","","1063.2","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H35 N O3 S Si -","- C19 H35 N O3 S Si -","- C38 H70 N2 O6 S2 Si2 -","2","1","","Choi, Junwon; Martín-Gago, Pablo; Fu, Gregory C.","Stereoconvergent Arylations and Alkenylations of Unactivated Alkyl Electrophiles: Catalytic Enantioselective Synthesis of Secondary Sulfonamides and Sulfones.","Journal of the American Chemical Society","2014","136","34","12161","","10.1021/ja506885s","","","0.71073","MoKα","","0.0308","0.0279","","","0.0669","0.069","","","","","","1.098","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122434","12.835","0.0006","5.6272","0.0003","12.9187","0.0006","90","","113.133","0.002","90","","858.03","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C34 H50 N2 O6 S2 -","2","1","","Choi, Junwon; Martín-Gago, Pablo; Fu, Gregory C.","Stereoconvergent Arylations and Alkenylations of Unactivated Alkyl Electrophiles: Catalytic Enantioselective Synthesis of Secondary Sulfonamides and Sulfones.","Journal of the American Chemical Society","2014","136","34","12161","","10.1021/ja506885s","","","0.71073","MoKα","","0.0273","0.0258","","","0.0683","0.0695","","","","","","1.073","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122435","6.2283","0.0003","13.7866","0.0007","15.3937","0.0008","90","","90","","90","","1321.81","0.12","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 S -","- C14 H20 O2 S -","- C56 H80 O8 S4 -","4","1","","Choi, Junwon; Martín-Gago, Pablo; Fu, Gregory C.","Stereoconvergent Arylations and Alkenylations of Unactivated Alkyl Electrophiles: Catalytic Enantioselective Synthesis of Secondary Sulfonamides and Sulfones.","Journal of the American Chemical Society","2014","136","34","12161","","10.1021/ja506885s","","","0.71073","MoKα","","0.0741","0.054","","","0.1115","0.1179","","","","","","1.141","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122436","42.2274","0.0019","12.4325","0.0009","24.635","0.0015","90","","120.314","0.003","90","","11164.9","1.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C116 H104 N16 O16 Ru4 -","- C116 H98 N16 O16 Ru4 -","- C464 H392 N64 O64 Ru16 -","4","0.5","","Cao, Zhi; Xi, Bin; Jodoin, Diane S.; Zhang, Lei; Cummings, Steven P.; Gao, Yang; Tyler, Sarah F.; Fanwick, Phillip E.; Crutchley, Robert J.; Ren, Tong","Diruthenium-Polyyn-diyl-Diruthenium Wires: Electronic Coupling in the Long Distance Regime.","Journal of the American Chemical Society","2014","136","34","12174","","10.1021/ja507107t","","","0.71073","MO-Kα","","0.105","0.082","","","0.201","0.215","","","","","","1.085","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122437","63.138","0.0003","63.138","0.0003","41.609","0.0003","90","","90","","120","","143648","1.4","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C184.5 H94.5 B9 Br9 F36 N18 O9 Pd4.5 -","- C184.5 H94.5 B9 Br9 F36 N18 O9 Pd4.5 -","- C1476 H756 B72 Br72 F288 N144 O72 Pd36 -","8","0.444444","","Bruns, Carson J.; Fujita, Daishi; Hoshino, Manabu; Sato, Sota; Stoddart, J. Fraser; Fujita, Makoto","Emergent Ion-Gated Binding of Cationic Host-Guest Complexes within Cationic M12L24 Molecular Flasks.","Journal of the American Chemical Society","2014","136","34","12027","","10.1021/ja505296e","","","0.75","synchrotron","","0.2598","0.2139","","","0.4951","0.5207","","","","","","1.976","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122438","24.636","0.0007","13.136","0.0003","48.4001","0.0012","90","","98.9838","0.0017","90","","15471","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C77 H69.5 Br F24 N7.5 O6 P4 -","- C77 H69.5 Br F24 N7.5 O6 P4 -","- C616 H556 Br8 F192 N60 O48 P32 -","8","1","","Bruns, Carson J.; Fujita, Daishi; Hoshino, Manabu; Sato, Sota; Stoddart, J. Fraser; Fujita, Makoto","Emergent Ion-Gated Binding of Cationic Host-Guest Complexes within Cationic M12L24 Molecular Flasks.","Journal of the American Chemical Society","2014","136","34","12027","","10.1021/ja505296e","","","1.54178","CuKα","","0.0719","0.0508","","","0.113","0.1227","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122439","10.3162","0.0013","10.3415","0.0012","13.3153","0.0016","76.268","0.003","85.716","0.003","63.111","0.003","1229.9","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","esk15jan14","","","- C44 H68 Fe2 N2 O4 S6 -","- C44 H68 Fe2 N2 O4 S6 -","- C44 H68 Fe2 N2 O4 S6 -","1","0.5","","Tran, Camly T.; Williard, Paul G.; Kim, Eunsuk","Nitric Oxide Reactivity of [2Fe-2S] Clusters Leading to H2S Generation.","Journal of the American Chemical Society","2014","136","34","11874","","10.1021/ja505415c","","","0.71073","","","0.0267","0.0238","","","0.0657","0.068","","","","","","1.006","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122440","25.8595","0.001","25.8595","","6.7766","0.0004","90","","90","","120","","3924.5","0.3","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C4 H2.05 Co O3 -","- C4 H2.046 Co O3 -","- C72 H36.828 Co18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.0775","","","","","","","","","0.03547","","0.99","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122441","25.8419","0.0017","25.8419","","6.781","0.0007","90","","90","","120","","3921.7","0.5","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D1.69 O3 -","- C4 H Co D1.69 O3 -","- C72 H18 Co18 D30.42 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.05711","","0.91","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122442","25.8734","0.0023","25.8734","","6.7677","0.0009","90","","90","","120","","3923.5","0.6","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C4 H Co O3 -","- C4 H Co O3 -","- C72 H18 Co18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.06401","","0.93","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122443","25.8781","0.001","25.8781","","6.88197","0.00033","90","","90","","120","","3991.2","0.2","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H Co D4.92 O3 -","- C4 H Co D4.912 O3 -","- C72 H18 Co18 D88.416 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.07748","","1.21","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122444","25.776","0.005","25.776","","6.7544","0.0017","90","","90","","120","","3886.4","1.2","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H D3.85 Ni O3 -","- C4 H D3.855 Ni O3 -","- C72 H18 D69.39 Ni18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.14026","","1.29","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122445","25.8923","0.0017","25.8923","","6.8115","0.0006","90","","90","","120","","3954.7","0.4","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D5.63 O3 -","- C4 H Co D5.62762 O3 -","- C72 H18 Co18 D101.297 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.05497","","0.93","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122446","25.8826","0.001","25.8826","","6.803","0.0004","90","","90","","120","","3946.8","0.3","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D3.47 O3 -","- C4 H Co D3.474 O3 -","- C72 H18 Co18 D62.532 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.05113","","1.16","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122447","25.749","0.004","25.749","","6.739","0.0012","90","","90","","120","","3869.4","0.9","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H D1.97 Ni O3 -","- C4 H D1.97 Ni O3 -","- C72 H18 D35.46 Ni18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.06133","","0.99","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122448","25.8806","0.0017","25.8806","","6.8038","0.0006","90","","90","","120","","3946.7","0.4","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D3.73 O3 -","- C4 H Co D3.94262 O3 -","- C72 H18 Co18 D70.9672 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.06241","","0.93","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122449","25.8902","0.0007","25.8902","","6.79046","0.00029","90","","90","","120","","3941.9","0.2","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C4 H Co O3 -","- C4 H1.5 Co O3 -","- C72 H27 Co18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","x-ray","0.7291","","","","","","","","","0.1551","","2.12","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122450","25.8518","0.0012","25.8518","","6.7881","0.0005","90","","90","","120","","3928.8","0.3","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D2.37 O3 -","- C4 H Co D2.37 O3 -","- C72 H18 Co18 D42.66 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.04809","","1.06","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122451","25.802","0.005","25.802","","6.7613","0.0017","90","","90","","120","","3898.2","1.2","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H D5.77 Ni O3 -","- C4 H2 D5.77 Ni O3 -","- C72 H36 D103.86 Ni18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.13436","","1.24","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122452","25.8707","0.001","25.8707","","6.8687","0.0004","90","","90","","120","","3981.3","0.3","","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H Co D1.59 O3 -","- C4 H Co D1.589 O3 -","- C72 H18 Co18 D28.602 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.08687","","1.16","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122453","25.8521","0.0018","25.8521","","6.7898","0.0007","90","","90","","120","","3929.9","0.5","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D2.71 O3 -","- C4 H Co D2.71 O3 -","- C72 H18 Co18 D48.78 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.0811","","0.94","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122454","25.9008","0.0011","25.9008","","6.8104","0.0004","90","","90","","120","","3956.7","0.3","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C4 H Co D4.49 O3 -","- C4 H Co D5.012 O3 -","- C72 H18 Co18 D90.216 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.05108","","1.07","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122455","25.797","0.005","25.797","","6.7292","0.0017","90","","90","","120","","3878.2","1.2","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C4 H Ni O3 -","- C4 H Ni O3 -","- C72 H18 Ni18 O54 -","18","1","","Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.","M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.","Journal of the American Chemical Society","2014","136","34","12119","","10.1021/ja506230r","powder diffraction","neutron","2.078","","","","","","","","","0.08281","","1.09","","","","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122456","9.2299","0.0005","16.0158","0.0008","31.6935","0.0014","90","","90","","90","","4685.1","0.4","295.5","0.3","295.5","0.3","","","","","","","","4","F 2 d d","F -2d 2","43","Gd13Fe10C12.02O0.98","","","- C12.02 Fe10 Gd13 O0.98 -","- C12.02 Fe10 Gd13 O0.98 -","- C96.16 Fe80 Gd104 O7.84 -","8","0.5","","Hadler, Amelia B.; Yannello, Vincent J.; Bi, Wenli; Alp, E. Ercan; Fredrickson, Daniel C.","π-Conjugation in Gd13Fe10C13 and Its Oxycarbide: Unexpected Connections between Complex Carbides and Simple Organic Molecules.","Journal of the American Chemical Society","2014","136","34","12073","","10.1021/ja505868w","","x-ray","0.7107","MoKα","","0.0274","0.0243","","","0.0507","0.0523","","","","1.07","1.07","1.06","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122457","9.4878","0.0013","23.854","0.003","28.076","0.004","88.995","0.003","83.354","0.003","87.937","0.003","6306.9","1.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Ge9Tl-(Si(Si(CH3)3)3)3","","- C27 H81 Ge9 Si12 Tl -","- C27 H81 Ge9 Si12 Tl -","- C108 H324 Ge36 Si48 Tl4 -","4","2","","Li, Feng; Sevov, Slavi C.","Synthesis, structures, and solution dynamics of tetrasubstituted nine-atom germanium deltahedral clusters.","Journal of the American Chemical Society","2014","136","34","12056","12063","10.1021/ja505826x","","","0.71073","MoKα","","0.049","0.0348","","","0.0781","0.0898","","","","","","0.988","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122458","23.163","0.005","23.872","0.005","23.166","0.005","90","","99.96","0.03","90","","12617","5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","EthyltrisupersilylGe9","","","- C29 H86 Ge9 Si12 -","- C29 H86 Ge9 Si12 -","- C232 H688 Ge72 Si96 -","8","2","","Li, Feng; Sevov, Slavi C.","Synthesis, structures, and solution dynamics of tetrasubstituted nine-atom germanium deltahedral clusters.","Journal of the American Chemical Society","2014","136","34","12056","12063","10.1021/ja505826x","","","0.71073","MoKα","","0.0571","0.035","","","0.0699","0.0793","","","","","","1.012","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122459","64.496","0.014","64.496","0.014","22.031","0.005","90","","90","","120","","79365","3","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39 H108 Ge9 Si12 Sn -","- C39 H108 Ge9 Si12 Sn -","- C1638 H4536 Ge378 Si504 Sn42 -","42","2.33333","","Li, Feng; Sevov, Slavi C.","Synthesis, structures, and solution dynamics of tetrasubstituted nine-atom germanium deltahedral clusters.","Journal of the American Chemical Society","2014","136","34","12056","12063","10.1021/ja505826x","","","0.71073","MoKα","","0.2022","0.1028","","","0.242","0.2883","","","","","","0.949","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122460","10.3059","0.0006","12.9893","0.0007","17.987","0.001","90","","98.516","0.001","90","","2381.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H25 N2 O0.5 S2 -","- C26.5 H25 N2 O0.5 S2 -","- C106 H100 N8 O2 S8 -","4","1","","Williams, Derek E.; Rietman, Joseph A.; Maier, Josef M.; Tan, Rui; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B.","Energy Transfer on Demand: Photoswitch-Directed Behavior of Metal-Porphyrin Frameworks.","Journal of the American Chemical Society","2014","136","34","11886","","10.1021/ja505589d","","","0.71073","MoKα","","0.0879","0.0511","","","0.1438","0.1628","","","","","","0.95","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122461","16.71","0.003","16.71","0.003","29.89","0.009","90","","90","","90","","8346","3","150","2","150","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C48 H24 N6 O9 Zn3 -","- C48 H24 N6 O9 Zn3 -","- C96 H48 N12 O18 Zn6 -","2","0.125","","Williams, Derek E.; Rietman, Joseph A.; Maier, Josef M.; Tan, Rui; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B.","Energy Transfer on Demand: Photoswitch-Directed Behavior of Metal-Porphyrin Frameworks.","Journal of the American Chemical Society","2014","136","34","11886","","10.1021/ja505589d","","","1.0333","synchrotron","","0.1025","0.0536","","","0.1407","0.1579","","","","","","0.904","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122462","13.744","0.005","14.024","0.006","20.665","0.008","90","","90","","90","","3983","3","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H25.5 Cl2 N8.5 O14 Ru -","- C41 H25.5 Cl2 N8.5 O14 Ru -","- C164 H102 Cl8 N34 O56 Ru4 -","4","1","","Wendlandt, Alison E.; Stahl, Shannon S.","Modular o-Quinone Catalyst System for Dehydrogenation of Tetrahydroquinolines under Ambient Conditions.","Journal of the American Chemical Society","2014","136","34","11910","","10.1021/ja506546w","","","0.71073","MoKα","","0.0489","0.0383","","","0.088","0.0934","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122463","9.461","0.003","10.261","0.004","10.66","0.004","92.65","0.004","96.611","0.005","102.491","0.005","1000.9","0.6","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 N2 O12 Ru2 -","- C44 H36 N2 O12 Ru2 -","- C44 H36 N2 O12 Ru2 -","1","0.5","","Kosaka, Wataru; Yamagishi, Kayo; Zhang, Jun; Miyasaka, Hitoshi","Gate-Opening Gas Adsorption and Host-Guest Interacting Gas Trapping Behavior of Porous Coordination Polymers under Applied AC Electric Fields.","Journal of the American Chemical Society","2014","136","35","12304","12313","10.1021/ja504992g","","","0.7107","MoKα","","","0.0532","","","","0.1123","","","","","","1.092","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122464","8.8996","0.0008","12.883","0.0011","14.7781","0.0013","104.639","0.001","106.725","0.001","90.984","0.001","1562.6","0.2","168","2","168","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H30 Fe O3 P2 Pd S2 -","- C32 H30 Fe O3 P2 Pd S2 -","- C64 H60 Fe2 O6 P4 Pd2 S4 -","2","1","","Huynh, Mioy T.; Schilter, David; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.","Protonation of nickel-iron hydrogenase models proceeds after isomerization at nickel.","Journal of the American Chemical Society","2014","136","35","12385","12395","10.1021/ja505783z","","","0.71073","MoKα","","0.0381","0.0285","","","0.0643","0.0684","","","","","","1.027","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122465","11.4661","0.0008","20.6923","0.0014","34.72","0.002","90","","97.412","0.001","90","","8168.8","0.9","178","2","178","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C76 H88 B2 F8 Fe2 O9 P4 Pd2 S4 -","- C76 H88 B2 F8 Fe2 O9 P4 Pd2 S4 -","- C304 H352 B8 F32 Fe8 O36 P16 Pd8 S16 -","4","1","","Huynh, Mioy T.; Schilter, David; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.","Protonation of nickel-iron hydrogenase models proceeds after isomerization at nickel.","Journal of the American Chemical Society","2014","136","35","12385","12395","10.1021/ja505783z","","","0.71073","MoKα","","0.059","0.0369","","","0.0754","0.0838","","","","","","1.032","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122466","11.643","0.002","14.53","0.003","18.161","0.004","101.94","0.03","98.01","0.03","110.07","0.03","2748.4","1.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H44 Au Cl13 F6 N6 O6 S2 -","- C31 H44 Au Cl13 F6 N6 O6 S2 -","- C62 H88 Au2 Cl26 F12 N12 O12 S4 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0374","0.0314","","","0.0761","0.079","","","","","","1.04","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122467","18.626","0.004","22.161","0.004","18.053","0.004","90","","109.19","0.03","90","","7038","3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H60 Au3 Cl6 F3 N12 O3 S -","- C49 H60 Au3 Cl6 F3 N12 O3 S -","- C196 H240 Au12 Cl24 F12 N48 O12 S4 -","4","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0626","0.0515","","","0.1375","0.1469","","","","","","1.05","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4122468","6.957","0.0014","12.76","0.003","14.536","0.003","90","","90","","90","","1290.4","0.5","173","2","173","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C14 H20 Au Cl3 N4 -","- C11 H18 Au Cl3 N4 -","- C22 H36 Au2 Cl6 N8 -","2","0.125","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0519","0.0519","","","0.136","0.136","","","","","","1.23","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122469","10.876","0.002","14.998","0.003","15.432","0.003","85.31","0.03","83.96","0.03","71.84","0.03","2375.4","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H46 Au F9 N10 O9 S3 -","- C35 H46 Au F9 N10 O9 S3 -","- C70 H92 Au2 F18 N20 O18 S6 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0395","0.032","","","0.0735","0.0777","","","","","","1.044","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122470","10.684","0.002","12.227","0.002","16.079","0.003","70.76","0.03","77.74","0.03","66.98","0.03","1816.8","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H30 Au F9 N6 O9 S3 -","- C27 H30 Au F9 N6 O9 S3 -","- C54 H60 Au2 F18 N12 O18 S6 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0446","0.0324","","","0.0754","0.0828","","","","","","1.055","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122471","12.544","0.003","18.171","0.004","21.209","0.004","65.18","0.03","80.58","0.03","70.1","0.03","4125","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H56 Au2 F15 N16 O15 S5 -","- C57 H56 Au2 F15 N16 O15 S5 -","- C114 H112 Au4 F30 N32 O30 S10 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.051","0.0392","","","0.1062","0.1124","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122472","16.682","0.003","20.298","0.004","20.273","0.004","90","","106.09","0.03","90","","6596","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Au F6 N6 O6.5 S2 -","- C23 H28 Au F6 N6 O6.5 S2 -","- C184 H224 Au8 F48 N48 O52 S16 -","8","2","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0696","0.052","","","0.1233","0.1379","","","","","","1.142","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122473","8.5228","0.0017","13.81","0.003","15.57","0.003","108.65","0.03","91.73","0.03","91.36","0.03","1734.5","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H24 Au F9 N5 O9 S3 -","- C28 H24 Au F9 N5 O9 S3 -","- C56 H48 Au2 F18 N10 O18 S6 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0544","0.043","","","0.0973","0.1057","","","","","","1.039","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122474","8.8637","0.0018","9.888","0.002","12.962","0.003","78.51","0.03","80.16","0.03","79.86","0.03","1085","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H12 Au F6 N3 O7 S2 -","- C17 H12 Au F6 N3 O7 S2 -","- C34 H24 Au2 F12 N6 O14 S4 -","2","1","","Corbo, Robert; Pell, Thomas P.; Stringer, Bradley D.; Hogan, Conor F.; Wilson, David J. D.; Barnard, Peter J.; Dutton, Jason L.","Facile Formation of Homoleptic Au(III) Trications via Simultaneous Oxidation and Ligand Delivery from [PhI(pyridine)2](2+).","Journal of the American Chemical Society","2014","136","35","12415","12421","10.1021/ja506365m","","","0.71073","MoKα","","0.0379","0.0325","","","0.0803","0.084","","","","","","1.027","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122475","18.657","0.004","10.618","0.002","6.9703","0.0015","90","","95.02","0.002","90","","1375.5","0.5","173","2","173.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C4 H12 P2 S2 -","- C4 H12 P2 S2 -","- C24 H72 P12 S12 -","6","0.75","","Chitnis, Saurabh S.; Whalen, J. Marc; Burford, Neil","Influence of charge and coordination number on bond dissociation energies, distances, and vibrational frequencies for the phosphorus-phosphorus bond.","Journal of the American Chemical Society","2014","136","35","12498","12506","10.1021/ja507413s","","x-ray","0.71073","MoKα","","0.0227","0.0206","","","0.0555","0.0573","","","","","","1.082","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122476","6.2924","0.0007","8.6702","0.001","12.9527","0.0015","105.432","0.002","90.451","0.002","105.118","0.001","655.33","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H6 Eu2 O17 -","- C5 H4 Eu2 O17 -","- C10 H8 Eu4 O34 -","2","1","","Tang, Qun; Liu, Yiwei; Liu, Shuxia; He, Danfeng; Miao, Jun; Wang, Xingquan; Yang, Guocheng; Shi, Zhan; Zheng, Zhiping","High Proton Conduction at above 100 °C Mediated by Hydrogen Bonding in a Lanthanide Metal-Organic Framework.","Journal of the American Chemical Society","2014","136","35","12444","12449","10.1021/ja5069855","","","0.71073","MoKα","","0.049","0.0372","","","0.0839","0.09","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122477","8.234","0.002","19.756","0.005","36.5075","0.001","90","","90","","90","","5939","2","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 F6 N P -","- C13 H18 F6 N P -","- C208 H288 F96 N16 P16 -","16","4","","Song, Guoyong; O, Wylie W N; Hou, Zhaomin","Enantioselective C-h bond addition of pyridines to alkenes catalyzed by chiral half-sandwich rare-Earth complexes.","Journal of the American Chemical Society","2014","136","35","12209","12212","10.1021/ja504995f","","","0.71073","MoKα","","0.1249","0.1121","","","0.3264","0.3467","","","","","","1.471","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122478","10.6448","0.0001","15.6854","0.0002","19.2083","0.0003","81.764","0.001","82.5","0.001","83.311","0.001","3131.27","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H58 B F20 Hf P -","- C70 H58 B F20 Hf P -","- C140 H116 B2 F40 Hf2 P2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0387","0.0352","","","0.0848","0.088","","","","","","1.062","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122479","15.6707","0.0003","16.586","0.0003","16.7336","0.0003","79.476","0.001","75.337","0.001","79.407","0.001","4093.36","0.13","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H56 B F20 P Si Zr -","- C64 H56 B F20 P Si Zr -","- C128 H112 B2 F40 P2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0987","0.0716","","","0.1792","0.1965","","","","","","1.057","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122480","16.0769","0.0001","18.9665","0.0002","19.7085","0.0002","90","","106.073","0.001","90","","5774.65","0.1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 B F20 Hf P Si -","- C62 H52 B F20 Hf P Si -","- C248 H208 B4 F80 Hf4 P4 Si4 -","4","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0372","0.0316","","","0.0691","0.0733","","","","","","1.061","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122481","15.4699","0.0003","16.5362","0.0002","17.1816","0.0002","62.033","0.001","68.595","0.001","89.086","0.001","3549.27","0.1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H42 B F30 P Si Zr -","- C62 H42 B F30 P Si Zr -","- C124 H84 B2 F60 P2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.07","0.0583","","","0.1546","0.1624","","","","","","1.067","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122482","15.4954","0.0002","16.5161","0.0003","17.202","0.0003","62.092","0.001","68.712","0.001","89.188","0.001","3559.5","0.11","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H52 B F30 Hf P Si -","- C67 H52 B F30 Hf P Si -","- C134 H104 B2 F60 Hf2 P2 Si2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0488","0.0436","","","0.1104","0.1138","","","","","","1.057","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122483","11.5569","0.0001","21.2895","0.0004","29.9729","0.0004","98.752","0.001","93.267","0.001","103.887","0.001","7041.96","0.18","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C69.5 H66 B F20 N P Si Zr -","- C69.5 H66 B F20 N P Si Zr -","- C278 H264 B4 F80 N4 P4 Si4 Zr4 -","4","2","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0643","0.0508","","","0.133","0.1414","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122484","16.2626","0.0001","18.8643","0.0002","19.8286","0.0003","90","","105.342","0.001","90","","5866.29","0.12","223","2","223","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 B F20 O P Si Zr -","- C62 H52 B F20 O P Si Zr -","- C248 H208 B4 F80 O4 P4 Si4 Zr4 -","4","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0679","0.0533","","","0.1159","0.1277","","","","","","1.075","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122485","15.7896","0.0002","16.613","0.0002","16.9718","0.0003","66.066","0.001","80.618","0.001","79.197","0.001","3978.2","0.1","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C81 H80 B F20 O P Si Zr -","- C81 H80 B F20 O P Si Zr -","- C162 H160 B2 F40 O2 P2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0827","0.066","","","0.1629","0.1739","","","","","","1.047","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122486","15.788","0.0002","16.5313","0.0002","16.9244","0.0003","66.311","0.001","80.705","0.001","79.221","0.001","3955.28","0.1","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C72 H62 B Cl2 F20 Hf O P Si -","- C72 H62 B Cl2 F20 Hf O P Si -","- C144 H124 B2 Cl4 F40 Hf2 O2 P2 Si2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0426","0.0384","","","0.0964","0.0991","","","","","","1.051","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122487","12.0999","0.0002","17.267","0.0003","17.9375","0.0003","82.385","0.001","80.823","0.001","83.898","0.001","3653.15","0.11","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C68 H57 B F20 N O P Si Zr -","- C68 H57 B F20 N O P Si Zr -","- C136 H114 B2 F40 N2 O2 P2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.061","0.054","","","0.1501","0.1565","","","","","","1.056","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122488","12.6262","0.0001","15.4237","0.0002","19.7312","0.0004","103.725","0.001","97.999","0.001","111.023","0.001","3376.07","0.09","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C67 H62 B F20 O2 P S Si Zr -","- C67 H62 B F20 O2 P S Si Zr -","- C134 H124 B2 F40 O4 P2 S2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0642","0.0561","","","0.1455","0.1521","","","","","","1.037","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122489","12.6158","0.0001","15.4455","0.0002","19.6719","0.0002","103.71","0.001","98.041","0.001","111.153","0.001","3363.88","0.07","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C62 H52 B F20 Hf O2 P S Si -","- C62 H52 B F20 Hf O2 P S Si -","- C124 H104 B2 F40 Hf2 O4 P2 S2 Si2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0375","0.035","","","0.0939","0.0961","","","","","","1.038","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122490","12.2824","0.0002","17.4197","0.0003","18.0458","0.0004","81.278","0.001","81.595","0.001","84.991","0.002","3766.97","0.12","223","2","223","2","","","","","","","","10","P -1","-P 1","2","","","","- C78 H77 B F20 N O P S Si Zr -","- C78 H77 B F20 N O P S Si Zr -","- C156 H154 B2 F40 N2 O2 P2 S2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.0598","0.0495","","","0.1125","0.1213","","","","","","1.068","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122491","12.6173","0.0002","17.7631","0.0003","18.1774","0.0002","88.657","0.001","78.536","0.001","87.268","0.001","3987.74","0.1","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C71 H66 B Cl3 F20 Ir P Si Zr -","- C71 H66 B Cl3 F20 Ir P Si Zr -","- C142 H132 B2 Cl6 F40 Ir2 P2 Si2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Formation of unsaturated vicinal zr(+)/p frustrated lewis pairs by the unique 1,1-carbozirconation reactions.","Journal of the American Chemical Society","2014","136","35","12431","12443","10.1021/ja5068146","","","0.71073","MoKα","","0.05","0.0438","","","0.1102","0.1143","","","","","","1.057","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122492","11.732","0.0008","17.4804","0.0011","25.4536","0.0015","90","","96.9037","0.0014","90","","5182.2","0.6","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C72 H46 Cl4 -","- C72 H46 Cl4 -","- C288 H184 Cl16 -","4","1","","Tian, Yi; Uchida, Kazuyuki; Kurata, Hiroyuki; Hirao, Yasukazu; Nishiuchi, Tomohiko; Kubo, Takashi","Design and synthesis of new stable fluorenyl-based radicals.","Journal of the American Chemical Society","2014","136","36","12784","12793","10.1021/ja507005c","","","0.71075","MoKα","","0.1252","0.0656","","","0.174","0.2154","","","","","","1.011","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122493","14.719","0.002","13.335","0.002","13.137","0.002","90","","118.001","0.003","90","","2276.7","0.6","200","","200","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C35 H20 -","- C35 H21 -","- C140 H84 -","4","0.5","","Tian, Yi; Uchida, Kazuyuki; Kurata, Hiroyuki; Hirao, Yasukazu; Nishiuchi, Tomohiko; Kubo, Takashi","Design and synthesis of new stable fluorenyl-based radicals.","Journal of the American Chemical Society","2014","136","36","12784","12793","10.1021/ja507005c","","","0.71075","MoKα","","0.0752","0.0485","","","0.1112","0.1268","","","","","","1.046","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122494","9.5286","0.0009","17.5723","0.0018","19.0353","0.0017","90","","94.805","0.002","90","","3176.1","0.5","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H23 Cl6 -","- C37 H23 Cl6 -","- C148 H92 Cl24 -","4","1","","Tian, Yi; Uchida, Kazuyuki; Kurata, Hiroyuki; Hirao, Yasukazu; Nishiuchi, Tomohiko; Kubo, Takashi","Design and synthesis of new stable fluorenyl-based radicals.","Journal of the American Chemical Society","2014","136","36","12784","12793","10.1021/ja507005c","","","0.71075","MoKα","","0.1888","0.0825","","","0.2142","0.2635","","","","","","0.893","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122495","12.947","0.0004","12.7291","0.0003","28.2335","0.0006","90","","96.669","0.001","90","","4621.5","0.2","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C35 H21 -","- C35 H21 -","- C280 H168 -","8","2","","Tian, Yi; Uchida, Kazuyuki; Kurata, Hiroyuki; Hirao, Yasukazu; Nishiuchi, Tomohiko; Kubo, Takashi","Design and synthesis of new stable fluorenyl-based radicals.","Journal of the American Chemical Society","2014","136","36","12784","12793","10.1021/ja507005c","","","0.71075","MoKα","","0.0806","0.0513","","","0.1361","0.1592","","","","","","1.155","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122496","9.1206","0.0002","9.3526","0.0002","13.6329","0.001","79.823","0.006","85.785","0.006","81.629","0.006","1131.05","0.09","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Cl3 N3 O3 Pd -","- C21 H22 Cl3 N3 O3 Pd -","- C42 H44 Cl6 N6 O6 Pd2 -","2","1","","Camasso, Nicole M.; Pérez-Temprano, Mónica H; Sanford, Melanie S.","C(sp³)-O bond-forming reductive elimination from Pd(IV) with diverse oxygen nucleophiles.","Journal of the American Chemical Society","2014","136","36","12771","12775","10.1021/ja507056u","","","1.54178","CuKα","","0.0385","0.0369","","","0.097","0.0993","","","","","","1.09","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122497","12.1221","0.0003","18.9912","0.0004","20.5152","0.0003","108.304","0.002","96.657","0.002","95.751","0.002","4406.7","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe3 H65 K10 O99 Si2 W18 -","- Fe3.027 K10.3 O95.9 Si2 W17.973 -","- Fe6.054 K20.6 O191.8 Si4 W35.946 -","2","1","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.0652","0.0457","","","0.0907","0.0994","","","","","","1.019","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122498","20.2088","0.0008","22.0401","0.0006","22.1265","0.0009","106.343","0.003","101.315","0.003","109.851","0.003","8417.5","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- Cl Fe3.5 H51.5 K5 Li6 O83.5 Si1.5 W15 -","- Cl Fe3.16665 K5.05 O85.5 Si1.5 W15 -","- Cl4 Fe12.6666 K20.2 O342 Si6 W60 -","4","2","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.0875","0.0469","","","0.0976","0.1167","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122499","11.2309","0.0003","21.0954","0.0006","17.965","0.0006","90","","105.02","0.003","90","","4110.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Fe3 H95 K8 O114 Si2 W18 -","- Fe3 K7.8 O87.6 Si2 W18 -","- Fe6 K15.6 O175.2 Si4 W36 -","2","0.5","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.067","0.047","","","0.102","0.113","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122500","33.7297","0.0004","23.7222","0.0003","23.5641","0.0005","90","","91.152","0.002","90","","18850.8","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Fe10 H90 K14 O183 Si4 W36 -","- Fe10 K14 O179.5 Si4 W36 -","- Fe40 K56 O718 Si16 W144 -","4","0.5","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.058","0.041","","","0.098","0.108","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122501","12.5311","0.0007","18.5287","0.0011","20.3263","0.0013","76.707","0.002","84.117","0.002","74.896","0.002","4429.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe3 H61 K10 O98 Si2 W18 -","- Fe3 K10 O98 Si2 W18 -","- Fe6 K20 O196 Si4 W36 -","2","1","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.024","0.021","","","0.049","0.05","","","","","","1.087","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122502","12.382","0.0005","19.411","0.0008","22.2451","0.0009","114.182","0.002","95.372","0.002","93.305","0.002","4828.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe11 H100 K13 O189 Si4 W36 -","- Fe11 K12.44 O187 Si4 W36 -","- Fe11 K12.44 O187 Si4 W36 -","1","0.5","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.0459","0.0328","","","0.0794","0.0855","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122503","12.6679","0.0002","18.3023","0.0004","19.2853","0.0004","77.37","0.002","89.658","0.002","72.081","0.002","4142.43","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe3 H54 K10 O95 Si2 W18 -","- Fe3.008 K10.5 O92.4 Si2 W17.992 -","- Fe6.016 K21 O184.8 Si4 W35.984 -","2","1","","Winter, Ross S.; Cameron, Jamie M.; Cronin, Leroy","Controlling the minimal self assembly of ""complex"" polyoxometalate clusters.","Journal of the American Chemical Society","2014","136","36","12753","12761","10.1021/ja5067916","","","0.71073","MoKα","","0.0399","0.0304","","","0.0632","0.0664","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122504","7.3107","0.0003","9.0733","0.0003","26.4224","0.001","90","","90","","90","","1752.66","0.11","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","ECC-9-020-1","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Cherney, Emily C.; Lopchuk, Justin M.; Green, Jason C.; Baran, Phil S.","A unified approach to ent-atisane diterpenes and related alkaloids: synthesis of (-)-methyl atisenoate, (-)-isoatisine, and the hetidine skeleton.","Journal of the American Chemical Society","2014","136","36","12592","12595","10.1021/ja507321j","","x-ray","1.54178","CuKα","K-L~3~","0.027","0.0263","","","0.0679","0.0687","","","","","","1.038","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4122505","11.6331","0.0003","14.2907","0.0004","29.0902","0.0008","90","","90","","90","","4836.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 N O5 P -","- C24 H42 N O5 P -","- C192 H336 N8 O40 P8 -","8","2","","Cherney, Emily C.; Lopchuk, Justin M.; Green, Jason C.; Baran, Phil S.","A unified approach to ent-atisane diterpenes and related alkaloids: synthesis of (-)-methyl atisenoate, (-)-isoatisine, and the hetidine skeleton.","Journal of the American Chemical Society","2014","136","36","12592","12595","10.1021/ja507321j","","","1.54178","CuKα","","0.0352","0.0319","","","0.0796","0.0813","","","","","","1.046","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122506","8.094","0.0003","12.9407","0.0004","16.7992","0.0006","90","","90","","90","","1759.58","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ECC-10-164-1","","","- C20 H30 Cl N O2 -","- C20 H30 Cl N O2 -","- C80 H120 Cl4 N4 O8 -","4","1","","Cherney, Emily C.; Lopchuk, Justin M.; Green, Jason C.; Baran, Phil S.","A unified approach to ent-atisane diterpenes and related alkaloids: synthesis of (-)-methyl atisenoate, (-)-isoatisine, and the hetidine skeleton.","Journal of the American Chemical Society","2014","136","36","12592","12595","10.1021/ja507321j","","","1.54178","CuKα","","0.0272","0.0268","","","0.0693","0.0695","","","","","","1.006","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122507","7.3343","0.0002","9.0194","0.0003","26.3328","0.0008","90","","90","","90","","1741.94","0.09","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O2 -","- C21 H32 O2 -","- C84 H128 O8 -","4","1","","Cherney, Emily C.; Lopchuk, Justin M.; Green, Jason C.; Baran, Phil S.","A unified approach to ent-atisane diterpenes and related alkaloids: synthesis of (-)-methyl atisenoate, (-)-isoatisine, and the hetidine skeleton.","Journal of the American Chemical Society","2014","136","36","12592","12595","10.1021/ja507321j","","x-ray","1.54178","CuKα","","0.0321","0.0318","","","0.0809","0.0812","","","","","","1.057","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122508","13.2491","0.0002","13.6484","0.0003","13.7598","0.0003","75.4215","0.0007","70.2656","0.0007","75.5401","0.0007","2229.27","0.08","123","2","123","2","","","","","","","","4","P -1","-P 1","2","Partially Constrained Triarylborane Pyridine Adduct","","","- C35 H20 B N -","- C35 H20 B N -","- C140 H80 B4 N4 -","4","2","","Matsuo, Kyohei; Saito, Shohei; Yamaguchi, Shigehiro","Photodissociation of B-N Lewis adducts: a partially fused trinaphthylborane with dual fluorescence.","Journal of the American Chemical Society","2014","136","36","12580","12583","10.1021/ja506980p","","","1.54187","CuKα","","0.0418","0.0373","","","0.0959","0.0987","","","","","","1.074","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122509","23.4202","0.001","3.8518","0.0002","23.7888","0.0012","90","","116.409","0.004","90","","1922.03","0.17","123","2","123","2","","","","","","","","4","P 1 2/a 1","-P 2ya","13","Partially Constrained Triarylborane Brominated Derivative","","","- C30 H13.44 B Br1.56 -","- C30 H13.436 B Br1.564 -","- C120 H53.744 B4 Br6.256 -","4","1","","Matsuo, Kyohei; Saito, Shohei; Yamaguchi, Shigehiro","Photodissociation of B-N Lewis adducts: a partially fused trinaphthylborane with dual fluorescence.","Journal of the American Chemical Society","2014","136","36","12580","12583","10.1021/ja506980p","","","1.54187","CuKα","","0.1076","0.0816","","","0.1889","0.2093","","","","","","1.091","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122510","11.005","","11.005","","21.5849","0.0002","90","","90","","120","","2263.92","0.02","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 La O7 -","- C12 H18 La O7 -","- C72 H108 La6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.033","0.0287","","","0.0562","0.0581","","","","","","1.081","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122511","10.9931","0.0001","10.9931","0.0001","21.518","0.0004","90","","90","","120","","2252.02","0.05","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Ce O7 -","- C12 H18 Ce O7 -","- C72 H108 Ce6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0295","0.0267","","","0.0621","0.0632","","","","","","1.052","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122512","10.9771","0.0002","10.9771","0.0002","21.421","0.0007","90","","90","","120","","2235.35","0.09","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 O7 Pr -","- C12 H18 O7 Pr -","- C72 H108 O42 Pr6 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.02","0.0198","","","0.048","0.0481","","","","","","1.173","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122513","10.982","","10.982","","21.3443","0.0003","90","","90","","120","","2229.34","0.03","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Nd O7 -","- C12 H18 Nd O7 -","- C72 H108 Nd6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0387","0.0317","","","0.0684","0.0717","","","","","","0.953","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122514","10.955","0","10.955","0","21.226","0.0003","90","","90","","120","","2206.09","0.03","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 O7 Sm -","- C12 H18 O7 Sm -","- C72 H108 O42 Sm6 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0324","0.0281","","","0.061","0.0625","","","","","","1.046","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122515","10.9566","0.0002","10.9566","0.0002","21.2225","0.0005","90","","90","","120","","2206.37","0.08","173","2","173","2","","","","","","","","4","P 61","P 61","169","","","","- C12 H18 O7 Sm -","- C12 H18 O7 Sm -","- C72 H108 O42 Sm6 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0338","0.0287","","","0.0588","0.0603","","","","","","1.075","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122516","10.942","0.0001","10.942","0.0001","21.1487","0.0005","90","","90","","120","","2192.84","0.06","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Eu O7 -","- C12 H18 Eu O7 -","- C72 H108 Eu6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0227","0.0218","","","0.0528","0.053","","","","","","1.019","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122517","10.9392","0.0001","10.9392","0.0001","21.0904","0.0004","90","","90","","120","","2185.68","0.05","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Gd O7 -","- C12 H18 Gd O7 -","- C72 H108 Gd6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0221","0.0204","","","0.0451","0.0457","","","","","","1.085","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122518","10.9244","0.0002","10.9244","0.0002","21.0072","0.0007","90","","90","","120","","2171.17","0.09","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 O7 Tb -","- C12 H18 O7 Tb -","- C72 H108 O42 Tb6 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.056","0.0507","","","0.1262","0.1285","","","","","","1.077","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122519","10.908","0","10.908","0","20.9429","0.0003","90","","90","","120","","2158.03","0.03","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H18 Dy O7 -","- C12 H18 Dy O7 -","- C72 H108 Dy6 O42 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0251","0.024","","","0.0542","0.0546","","","","","","1.136","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122520","8.2383","0.0003","10.9075","0.0005","14.7942","0.0006","90","","90","","90","","1329.4","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tb -","- C11 H15 O6 Tb -","- C44 H60 O24 Tb4 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0375","0.0327","","","0.0696","0.0718","","","","","","1.057","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122521","8.1926","0.0001","10.8934","0.0001","14.7834","0.0001","90","","90","","90","","1319.35","0.02","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Dy O6 -","- C11 H15 Dy O6 -","- C44 H60 Dy4 O24 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0253","0.0237","","","0.0564","0.0571","","","","","","1.08","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122522","8.1608","0.0001","10.9191","0.0001","14.7591","0.0002","90","","90","","90","","1315.16","0.03","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Ho O6 -","- C11 H15 Ho O6 -","- C44 H60 Ho4 O24 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0318","0.0276","","","0.0629","0.0645","","","","","","1.05","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122523","8.1229","0.0003","10.9348","0.0004","14.7351","0.0008","90","","90","","90","","1308.81","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Er O6 -","- C11 H15 Er O6 -","- C44 H60 Er4 O24 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.038","0.0322","","","0.0758","0.0786","","","","","","0.998","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122524","8.1002","0.0001","10.9327","0.0001","14.721","0.0001","90","","90","","90","","1303.65","0.02","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tm -","- C11 H15 O6 Tm -","- C44 H60 O24 Tm4 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0469","0.0356","","","0.076","0.0805","","","","","","1.035","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122525","8.0669","0.0002","10.9191","0.0003","14.7177","0.0004","90","","90","","90","","1296.38","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Yb -","- C11 H15 O6 Yb -","- C44 H60 O24 Yb4 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0376","0.0301","","","0.0613","0.0643","","","","","","1.083","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122526","8.0349","0.0003","10.9499","0.0004","14.6841","0.0005","90","","90","","90","","1291.93","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Lu O6 -","- C11 H15 Lu O6 -","- C44 H60 Lu4 O24 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0458","0.0351","","","0.0913","0.1093","","","","","","1.094","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122527","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Y -","- C11 H15 O6 Y -","- C44 H60 O24 Y4 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0794","0.0553","","","0.1201","0.1325","","","","","","1.029","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122528","10.9487","0.0002","10.9487","0.0002","21.411","0.0007","90","","90","","120","","2222.76","0.09","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C12 H19 La0.259 O7 Pr0.741 -","- C12 H17 La0.259 O7 Pr0.741 -","- C72 H102 La1.554 O42 Pr4.446 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0578","0.0489","","","0.1097","0.1145","","","","","","1.08","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122529","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Gd0.329 O6 Y0.671 -","- C11 H15 Gd0.329 O6 Y0.671 -","- C44 H60 Gd1.316 O24 Y2.684 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0678","0.0497","","","0.1365","0.1438","","","","","","1.061","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122530","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tb0.484 Y0.516 -","- C11 H15 O6 Tb0.484 Y0.516 -","- C44 H60 O24 Tb1.936 Y2.064 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.063","0.0417","","","0.1041","0.1131","","","","","","1.043","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122531","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Dy0.495 O6 Y0.505 -","- C11 H15 Dy0.495 O6 Y0.505 -","- C44 H60 Dy1.98 O24 Y2.02 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0673","0.044","","","0.1076","0.1167","","","","","","1.054","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122532","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Ho0.558 O6 Y0.442 -","- C11 H15 Ho0.558 O6 Y0.442 -","- C44 H60 Ho2.232 O24 Y1.768 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0758","0.057","","","0.1351","0.1465","","","","","","1.066","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122533","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Er0.566 O6 Y0.434 -","- C11 H15 Er0.566 O6 Y0.434 -","- C44 H60 Er2.264 O24 Y1.736 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0621","0.0408","","","0.1006","0.1091","","","","","","1.021","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122534","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Y0.392 Yb0.608 -","- C11 H15 O6 Y0.392 Yb0.608 -","- C44 H60 O24 Y1.568 Yb2.432 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0536","0.0406","","","0.0999","0.1052","","","","","","1.061","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122535","7.9426","0.0008","13.8624","0.0019","22.203","0.003","90","","90","","90","","2444.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Br N O4 -","- C12 H12 Br N O4 -","- C96 H96 Br8 N8 O32 -","8","2","","Buyck, Thomas; Wang, Qian; Zhu, Jieping","Triple Role of Phenylselenonyl Group Enabled a One-Pot Synthesis of 1,3-Oxazinan-2-ones From α-Isocyanoacetates, Phenyl Vinyl Selenones, and Water.","Journal of the American Chemical Society","2014","136","32","11524","11528","10.1021/ja506031h","","","0.71073","MoKα","","0.0374","0.0278","","","0.0473","0.0505","","","","","","1.105","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122536","9.3027","0.0004","19.5605","0.0008","13.5408","0.0006","90","","94.688","0.002","90","","2455.71","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N2 Ru -","- C29 H34 N2 Ru -","- C116 H136 N8 Ru4 -","4","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.0695","0.0455","","","0.0991","0.1096","","","","","","1.037","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122537","11.324","0.005","30.125","0.005","13.405","0.005","90","0.005","105.564","0.005","90","0.005","4405","3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","hj4187","","","- C45 H60 Ag F3 N2 O3 Ru S Si -","- C45 H60 Ag F3 N2 O3 Ru S Si -","- C180 H240 Ag4 F12 N8 O12 Ru4 S4 Si4 -","4","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.0519","0.0348","","","0.073","0.0824","","","","","","1.047","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122538","21.079","0.008","8.837","0.003","20.204","0.008","90","","94.557","0.006","90","","3752","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H49 N2 Ru Si -","- C43 H49 N2 Ru Si -","- C172 H196 N8 Ru4 Si4 -","4","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.2334","0.092","","","0.146","0.1942","","","","","","0.923","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122539","46.2094","0.0015","12.0283","0.0004","19.2661","0.0006","90","","109.314","0.002","90","","10105.8","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","hj4057","","","- C54.5 H67 Br N2 O Ru Si -","- C54.5 H67 Br N2 O Ru Si -","- C436 H536 Br8 N16 O8 Ru8 Si8 -","8","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.0658","0.0394","","","0.0849","0.0963","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122540","10.2942","0.0006","31.8285","0.0017","12.239","0.0007","90","","105.762","0.002","90","","3859.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hj4032","","","- C44 H60 N2 Ru Si -","- C44 H60 N2 Ru Si -","- C176 H240 N8 Ru4 Si4 -","4","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.0375","0.0344","","","0.0848","0.0865","","","","","","1.079","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122541","8.6531","0.0007","21.9806","0.0017","13.3874","0.001","90","","90.939","0.001","90","","2545.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N4 Ru -","- C29 H34 N4 Ru -","- C116 H136 N16 Ru4 -","4","1","","Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.","Journal of the American Chemical Society","2014","136","32","11473","11482","10.1021/ja5054237","","","0.71073","MoKα","","0.0593","0.0429","","","0.0851","0.094","","","","","","1.115","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122542","8.8302","0.0005","11.981","0.0007","15.2909","0.0008","79.908","0.005","81.84","0.005","83.374","0.005","1569.73","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 Cl8 O6 Si2 -","- C23 H24 Cl8 O6 Si2 -","- C46 H48 Cl16 O12 Si4 -","2","1","","Guo, Xingwei; Mayr, Herbert","Quantification of the ambident electrophilicities of halogen-substituted quinones.","Journal of the American Chemical Society","2014","136","32","11499","11512","10.1021/ja505613b","","","0.71073","MoKα","","0.0505","0.036","","","0.0784","0.0875","","","","","","1.04","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122543","12.0384","0.0007","6.1634","0.0004","16.5271","0.0009","90","","101.491","0.002","90","","1201.69","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cl4 O4 -","- C10 H6 Cl4 O4 -","- C40 H24 Cl16 O16 -","4","1","","Guo, Xingwei; Mayr, Herbert","Quantification of the ambident electrophilicities of halogen-substituted quinones.","Journal of the American Chemical Society","2014","136","32","11499","11512","10.1021/ja505613b","","","0.71073","MoKα","","0.0716","0.0524","","","0.0962","0.102","","","","","","1.136","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122544","19.262","0.004","19.262","0.004","27.055","0.006","90","","90","","120","","8693","3","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C19 H17 N -","- C19 H15 N -","- C456 H360 N24 -","24","1.33333","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1904","0.1005","","","0.2498","0.2995","","","","","","1.021","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122545","8.0914","0.0016","10.928","0.002","13.83","0.003","107.341","0.003","104.389","0.003","102.082","0.003","1076.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N O2 S -","- C26 H23 N O2 S -","- C52 H46 N2 O4 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1786","0.0834","","","0.1367","0.1637","","","","","","1.006","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122546","11.028","0.002","11.747","0.002","12.63","0.003","90","","101.991","0.003","90","","1600.5","0.6","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1455","0.0965","","","0.1863","0.2064","","","","","","1.192","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122547","9.45","0.004","13.149","0.005","16.973","0.007","90","","90","","90","","2109","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O4 S2 -","- C22 H23 N O4 S2 -","- C88 H92 N4 O16 S8 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0949","0.0618","","","0.1223","0.1361","","","","","","1.059","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122548","11.018","0.006","6.443","0.003","21.477","0.011","90","","101.939","0.007","90","","1491.7","1.3","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1146","0.0634","","","0.1349","0.1545","","","","","","1.014","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122549","8.736","0.003","10.298","0.004","16.885","0.006","90","","94.663","0.005","90","","1514","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C64 H76 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0948","0.0554","","","0.1389","0.1622","","","","","","1.012","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122550","9.086","0.004","9.68","0.005","10.479","0.005","101.788","0.007","107.192","0.007","115.555","0.007","733.1","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C32 H34 N2 O4 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1839","0.0896","","","0.1737","0.2112","","","","","","1.062","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122551","10.788","0.006","11.06","0.006","22.393","0.013","90","","91.434","0.008","90","","2671","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 N O2 S -","- C12 H19 N O2 S -","- C96 H152 N8 O16 S8 -","8","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.114","0.0855","","","0.2461","0.2807","","","","","","1.095","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122552","9.171","0.005","9.554","0.005","9.772","0.005","95.532","0.007","111.206","0.007","118.152","0.007","665.6","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N O2 S -","- C14 H15 N O2 S -","- C28 H30 N2 O4 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1549","0.0832","","","0.172","0.2019","","","","","","1.052","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122553","34.23","0.03","15.81","0.013","6.133","0.005","90","","90","","90","","3319","5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H18 N2 O4 S2 -","- C15 H18 N2 O4 S2 -","- C120 H144 N16 O32 S16 -","8","2","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1159","0.0716","","","0.1285","0.144","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122554","15.334","0.007","7.84","0.004","11.787","0.005","90","","93.34","0.006","90","","1414.6","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1237","0.0734","","","0.1675","0.1941","","","","","","1.063","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122555","17.221","0.005","8.952","0.003","17.795","0.005","90","","108.727","0.004","90","","2598.1","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C104 H136 N8 O16 S8 -","8","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0914","0.0627","","","0.1729","0.1921","","","","","","1.066","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122556","15.351","0.003","8.6398","0.0019","17.5","0.004","90","","115.598","0.003","90","","2093.2","0.8","140","2","140","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N -","- C14 H13 N -","- C112 H104 N8 -","8","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0914","0.0652","","","0.169","0.1891","","","","","","1.054","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122557","18.983","0.007","8.172","0.003","19.434","0.007","90","","90","","90","","3014.8","1.9","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C136 H136 N8 O16 S8 -","8","2","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0804","0.055","","","0.1049","0.1165","","","","","","1.056","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122558","11.181","0.007","5.799","0.004","17.588","0.011","90","","96.723","0.011","90","","1132.5","1.3","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 N2 O3 S -","- C25 H28 N2 O3 S -","- C50 H56 N4 O6 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1438","0.0913","","","0.2026","0.2371","","","","","","1.019","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122559","9.422","0.005","6.079","0.003","15.628","0.008","90","","101.009","0.006","90","","878.6","0.8","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C42 H38 N2 O4 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0555","0.047","","","0.102","0.1074","","","","","","1.042","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122560","20.834","0.008","6.982","0.003","19.561","0.008","90","","95.085","0.006","90","","2834","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F2 N O2 S -","- C14 H11 F2 N O2 S -","- C112 H88 F16 N8 O16 S8 -","8","2","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.2926","0.1026","","","0.173","0.2356","","","","","","0.946","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122561","6.4489","0.001","17.846","0.003","11.2973","0.0017","90","","94.265","0.002","90","","1296.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.112","0.0751","","","0.1825","0.2064","","","","","","1.028","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122562","7.0804","0.0013","12.724","0.002","15.486","0.003","90","","90","","90","","1395.1","0.4","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Cl N O2 S -","- C15 H14 Cl N O2 S -","- C60 H56 Cl4 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0618","0.0473","","","0.0999","0.1073","","","","","","1.084","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122563","12.015","0.004","7.631","0.003","31.475","0.011","90","","90","","90","","2885.8","1.8","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C128 H136 N8 O16 S8 -","8","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1225","0.0931","","","0.1935","0.204","","","","","","1.182","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122564","19.954","0.003","10.0945","0.0013","20.439","0.003","90","","118.375","0.002","90","","3622.3","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C168 H152 N8 O16 S8 -","8","2","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0868","0.0523","","","0.1301","0.1513","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122565","7.577","0.0016","10.156","0.002","11.053","0.002","109.494","0.002","109.76","0.002","94.602","0.003","736.5","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 N O2 S -","- C15 H20 N O2 S -","- C30 H40 N2 O4 S2 -","2","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0484","0.0443","","","0.1214","0.125","","","","","","1.056","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122566","8.3545","0.0006","6.0819","0.0004","13.8786","0.001","90","","106.364","0.003","90","","676.62","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","","Meng, Fanke; Haeffner, Fredrik; Hoveyda, Amir H.","Diastereo- and Enantioselective Reactions of Bis(pinacolato)diboron, 1,3-Enynes, and Aldehydes Catalyzed by an Easily Accessible Bisphosphine-Cu Complex.","Journal of the American Chemical Society","2014","136","32","11304","11307","10.1021/ja5071202","","","1.54178","CuKα","","0.0285","0.0283","","","0.073","0.0731","","","","","","1.046","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122567","10.1568","0.001","6.1364","0.0006","12.3308","0.0012","90","","110.03","0.002","90","","722.05","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","","Meng, Fanke; Haeffner, Fredrik; Hoveyda, Amir H.","Diastereo- and Enantioselective Reactions of Bis(pinacolato)diboron, 1,3-Enynes, and Aldehydes Catalyzed by an Easily Accessible Bisphosphine-Cu Complex.","Journal of the American Chemical Society","2014","136","32","11304","11307","10.1021/ja5071202","","","1.54178","CuKα","","0.0258","0.0257","","","0.065","0.0652","","","","","","1.066","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122568","6.3977","0.0018","8.18","0.002","31.776","0.009","90","","90","","90","","1662.9","0.8","177","2","177","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O S -","- C21 H18 O S -","- C84 H72 O4 S4 -","4","1","","Denmark, Scott E.; Rossi, Sergio; Webster, Matthew P.; Wang, Hao","Catalytic, enantioselective sulfenylation of ketone-derived enoxysilanes.","Journal of the American Chemical Society","2014","136","37","13016","13028","10.1021/ja506133z","","","0.71073","MoKα","","0.0431","0.0327","","","0.0705","0.0753","","","","","","1.047","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122569","7.9385","0.0002","10.9763","0.0003","11.4409","0.0003","97.371","0.002","99.927","0.002","100.842","0.002","951.05","0.04","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Au Br P -","- C21 H17 Au Br P -","- C42 H34 Au2 Br2 P2 -","2","1","","Johnson, Alice; Laguna, Antonio; Gimeno, M Concepción","Axially chiral allenyl gold complexes.","Journal of the American Chemical Society","2014","136","37","12812","12815","10.1021/ja5055675","","","0.71073","MoKα","","0.0204","0.0199","","","0.0518","0.0521","","","","","","1.076","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4122570","7.9063","0.0016","14.649","0.003","17","0.003","64.53","0.03","82.11","0.03","83.47","0.03","1757.4","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Au F3 O3 P2 S -","- C40 H32 Au F3 O3 P2 S -","- C80 H64 Au2 F6 O6 P4 S2 -","2","1","","Johnson, Alice; Laguna, Antonio; Gimeno, M Concepción","Axially chiral allenyl gold complexes.","Journal of the American Chemical Society","2014","136","37","12812","12815","10.1021/ja5055675","","","0.71073","MoKα","","0.1073","0.08","","","0.1636","0.1821","","","","","","1.042","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4122571","10.544","0.0001","14.6999","0.0002","14.862","0.0002","90","","93.203","0.001","90","","2299.95","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 Au F5 P -","- C27 H17 Au F5 P -","- C108 H68 Au4 F20 P4 -","4","1","","Johnson, Alice; Laguna, Antonio; Gimeno, M Concepción","Axially chiral allenyl gold complexes.","Journal of the American Chemical Society","2014","136","37","12812","12815","10.1021/ja5055675","","","0.71073","MoKα","","0.0166","0.0153","","","0.0352","0.0357","","","","","","1.111","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4122572","27.8653","0.0007","10.5925","0.0002","24.5903","0.0008","90","","106.431","0.003","90","","6961.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H17 Au F15 P -","- C39 H17 Au F15 P -","- C312 H136 Au8 F120 P8 -","8","2","","Johnson, Alice; Laguna, Antonio; Gimeno, M Concepción","Axially chiral allenyl gold complexes.","Journal of the American Chemical Society","2014","136","37","12812","12815","10.1021/ja5055675","","","0.71073","MoKα","","0.0572","0.0433","","","0.0952","0.1021","","","","","","1.067","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4122573","11.505","0.002","19.578","0.004","17.558","0.004","90","","90.019","0.005","90","","3954.8","1.4","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H58 Ru2 Si2 Sn -","- C42 H58 Ru2 Si2 Sn -","- C168 H232 Ru8 Si8 Sn4 -","4","1","","Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Sasamori, Takahiro; Tokitoh, Norihiro; Saito, Masaichi","Synthesis, structures, and electronic properties of triple- and double-decker ruthenocenes incorporated by a group 14 metallole dianion ligand.","Journal of the American Chemical Society","2014","136","37","13059","13064","10.1021/ja507330p","","","0.71073","MoKα","","0.0765","0.056","","","0.1011","0.1086","","","","","","1.107","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122574","10.7817","0.001","17.318","0.0016","24.015","0.002","90","","100.853","0.002","90","","4403.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H70 Ru2 Si2 Sn -","- C48 H70 Ru2 Si2 Sn -","- C192 H280 Ru8 Si8 Sn4 -","4","1","","Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Sasamori, Takahiro; Tokitoh, Norihiro; Saito, Masaichi","Synthesis, structures, and electronic properties of triple- and double-decker ruthenocenes incorporated by a group 14 metallole dianion ligand.","Journal of the American Chemical Society","2014","136","37","13059","13064","10.1021/ja507330p","","","0.71073","MoKα","","0.0734","0.0463","","","0.0922","0.1079","","","","","","1.009","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122575","12.7833","0.0015","14.3558","0.0017","15.1393","0.0018","97.677","0.003","96.928","0.002","93.321","0.003","2725.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H87 Li O4 Ru Si2 Sn -","- C54 H87 Li O4 Ru Si2 Sn -","- C108 H174 Li2 O8 Ru2 Si4 Sn2 -","2","1","","Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Sasamori, Takahiro; Tokitoh, Norihiro; Saito, Masaichi","Synthesis, structures, and electronic properties of triple- and double-decker ruthenocenes incorporated by a group 14 metallole dianion ligand.","Journal of the American Chemical Society","2014","136","37","13059","13064","10.1021/ja507330p","","","0.71073","MoKα","","0.0702","0.0496","","","0.099","0.109","","","","","","1.015","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122576","13.0864","0.0001","19.3897","0.0002","14.4296","0.0001","90","","96.126","0.001","90","","3640.48","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 F6 Mn N6 O8 S2 -","- C31 H31 F6 Mn N6 O8 S2 -","- C124 H124 F24 Mn4 N24 O32 S8 -","4","1","","Yu, Meng; Ambrose, Stephen L.; Whaley, Zachary L.; Fan, Sanjun; Gorden, John D.; Beyers, Ronald J.; Schwartz, Dean D.; Goldsmith, Christian R.","A mononuclear manganese(II) complex demonstrates a strategy to simultaneously image and treat oxidative stress.","Journal of the American Chemical Society","2014","136","37","12836","12839","10.1021/ja507034d","","","1.54178","CuKα","","0.1232","0.1098","","","0.303","0.3183","","","","","","1.064","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122577","16.6834","0.0013","11.028","0.0008","11.9668","0.0009","90","","99.219","0.007","90","","2173.3","0.3","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 Fe2 O4 P2 S2 -","- C14 H26 Fe2 O4 P2 S2 -","- C56 H104 Fe8 O16 P8 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0979","0.0897","","","0.2961","0.3005","","","","","","1.266","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122578","16.784","0.0007","11.0945","0.0005","12.5523","0.0008","90","","104.937","0.007","90","","2258.4","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H30 Fe2 O4 P2 S2 -","- C16 H30 Fe2 O4 P2 S2 -","- C64 H120 Fe8 O16 P8 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0614","0.0362","","","0.0712","0.0748","","","","","","1.051","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122579","12.09","0.002","13.027","0.002","16.282","0.003","90","","90","","90","","2564.4","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 Fe2 O4 P2 S2 -","- C19 H36 Fe2 O4 P2 S2 -","- C76 H144 Fe8 O16 P8 S8 -","4","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.027","0.0258","","","0.0532","0.0538","","","","","","1.056","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122580","20.79","0.02","8.4769","0.001","13.848","0.016","90","","106.854","0.019","90","","2336","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H23 F6 Fe2 O5 P3 S2 -","- C12 H23 F6 Fe2 O5 P3 S2 -","- C48 H92 F24 Fe8 O20 P12 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0918","0.0618","","","0.1342","0.1518","","","","","","0.983","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122581","19.5329","0.0003","10.2433","0.0002","13.0247","0.0002","90","","106.752","0.002","90","","2495.4","0.08","140","2","140","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H27 F6 Fe2 O4 P3 S2 -","- C14 H27 F6 Fe2 O4 P3 S2 -","- C56 H108 F24 Fe8 O16 P12 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0242","0.0223","","","0.0535","0.0542","","","","","","1.137","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122582","18.7466","0.0009","11.1267","0.0005","25.7195","0.0018","90","","99.892","0.007","90","","5285","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H31 F6 Fe2 O4 P3 S2 -","- C16 H31 F6 Fe2 O4 P3 S2 -","- C128 H248 F48 Fe16 O32 P24 S16 -","8","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0928","0.0473","","","0.0904","0.1004","","","","","","0.917","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122583","19.689","0.018","10.202","0.008","12.987","0.012","90","","104.65","0.02","90","","2524","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H29 F6 Fe2 O4 P3 S2 -","- C15 H29 F6 Fe2 O4 P3 S2 -","- C60 H116 F24 Fe8 O16 P12 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0341","0.0313","","","0.0622","0.0635","","","","","","1.077","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122584","8.778","0.0003","9.8893","0.0005","16.9341","0.0006","90","","90","","90","","1470.02","0.1","140","2","140","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H8 Fe2 O6 S2 -","- C10 H8 Fe2 O6 S2 -","- C40 H32 Fe8 O24 S8 -","4","0.5","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0583","0.0432","","","0.0859","0.0904","","","","","","1.113","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122585","9.1168","0.0001","9.6581","0.0001","9.8273","0.0001","74.585","0.003","75.109","0.003","89.144","0.004","804.84","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Fe2 O6 S2 -","- C12 H12 Fe2 O6 S2 -","- C24 H24 Fe4 O12 S4 -","2","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0213","0.0208","","","0.058","0.0583","","","","","","1.138","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122586","7.792","0.002","11.571","0.003","11.826","0.002","116.222","0.013","101.17","0.017","95.179","0.018","919.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Fe2 O6 S2 -","- C15 H18 Fe2 O6 S2 -","- C30 H36 Fe4 O12 S4 -","2","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0276","0.0246","","","0.0552","0.0564","","","","","","1.077","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122587","8.4937","0.0005","9.4901","0.0005","11.7656","0.0006","101.03","0.004","104.003","0.005","113.074","0.005","801.9","0.09","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H13 Fe2 O5 P S2 -","- C10 H13 Fe2 O5 P S2 -","- C20 H26 Fe4 O10 P2 S4 -","2","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0905","0.0567","","","0.0856","0.0935","","","","","","1.022","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122588","7.4894","0.0006","9.0289","0.0008","14.741","0.0013","88.6","0.006","78.742","0.006","83.721","0.006","971.75","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H21 Fe2 O5 P S2 -","- C14 H21 Fe2 O5 P S2 -","- C28 H42 Fe4 O10 P2 S4 -","2","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.032","0.0267","","","0.0605","0.0621","","","","","","1.052","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122589","12.6554","0.0004","7.6882","0.0002","26.4703","0.0018","90","","97.944","0.007","90","","2550.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 F6 Fe2 O4 P3 S2 -","- C16 H23 F6 Fe2 O4 P3 S2 -","- C64 H92 F24 Fe8 O16 P12 S8 -","4","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.0408","0.0291","","","0.0632","0.0674","","","","","","1.039","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122590","8.1039","0.0003","19.8611","0.0006","14.8094","0.0005","90","","119.708","0.002","90","","2070.31","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 Cl3 O2 -","- C27 H15 Cl3 O2 -","- C108 H60 Cl12 O8 -","4","1","","Schweinfurth, David; Zalibera, Michal; Kathan, Michael; Shen, Chengshuo; Mazzolini, Marcella; Trapp, Nils; Crassous, Jeanne; Gescheidt, Georg; Diederich, François","Helicene quinones: redox-triggered chiroptical switching and chiral recognition of the semiquinone radical anion lithium salt by electron nuclear double resonance spectroscopy.","Journal of the American Chemical Society","2014","136","37","13045","13052","10.1021/ja5069323","","x-ray","0.71073","MoKα","","0.0442","0.0364","","","0.0921","0.0982","","","","","","1.041","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122591","9.8979","0.0012","16.1975","0.0017","21.268","0.002","90","","90","","90","","3409.7","0.6","100","","100.01","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H16 O2 -","- C26 H16 O2 -","- C208 H128 O16 -","8","1","","Schweinfurth, David; Zalibera, Michal; Kathan, Michael; Shen, Chengshuo; Mazzolini, Marcella; Trapp, Nils; Crassous, Jeanne; Gescheidt, Georg; Diederich, François","Helicene quinones: redox-triggered chiroptical switching and chiral recognition of the semiquinone radical anion lithium salt by electron nuclear double resonance spectroscopy.","Journal of the American Chemical Society","2014","136","37","13045","13052","10.1021/ja5069323","","x-ray","1.54178","CuKα","","0.0938","0.085","","","0.2329","0.2393","","","","","","1.068","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122592","12.0612","0.0016","14.318","0.002","18.484","0.002","101.875","0.003","97.825","0.002","111.173","0.003","2834.3","0.6","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","spiro[2,2,5,5-tetra-tert-butyl-3,3,4,4-tetramethyl-bicyclo[4.1.0]heptasil-1(6)- ene-7,1'-2,2,5,5-tetra-tert-butyl-3,3,4,4-tetramethylcyclopentasilane]","","- C40 H96 Si11 -","- C40 H96 Si11 -","- C80 H192 Si22 -","2","1","","Tsurusaki, Akihiro; Kamiyama, Jun; Kyushin, Soichiro","Tetrasilane-bridged bicyclo[4.1.0]heptasil-1(6)-ene.","Journal of the American Chemical Society","2014","136","37","12896","12898","10.1021/ja507279z","","","0.7107","MoKα","","0.0488","0.0443","","","0.1176","0.1355","","","","","","1.137","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122593","9.1903","0.0005","21.5113","0.0011","16.6086","0.001","90","","96.652","0.0008","90","","3261.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1,4,4-Tetra-tert-butyl-2,2,3,3-tetrachloro-5,5,6,6-tetramethylcyclohexasilane","","- C20 H48 Cl4 Si6 -","- C20 H48 Cl4 Si6 -","- C80 H192 Cl16 Si24 -","4","1","","Tsurusaki, Akihiro; Kamiyama, Jun; Kyushin, Soichiro","Tetrasilane-bridged bicyclo[4.1.0]heptasil-1(6)-ene.","Journal of the American Chemical Society","2014","136","37","12896","12898","10.1021/ja507279z","","","0.7107","MoKα","","0.0444","0.0425","","","0.0813","0.0826","","","","","","1.28","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122594","35.324","0.017","35.324","0.017","35.324","0.017","90","","90","","90","","44077","4","100","2","100","","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C18 H6 O41.85 S2.4 Zr6 -","- C18 H6 O41.85 S2.4 Zr6 -","- C288 H96 O669.6 S38.4 Zr96 -","16","","","Jiang, Juncong; Gándara, Felipe; Zhang, Yue-Biao; Na, Kyungsu; Yaghi, Omar M.; Klemperer, Walter G.","Superacidity in sulfated metal-organic framework-808.","Journal of the American Chemical Society","2014","136","37","12844","12847","10.1021/ja507119n","","","0.7749","","","0.0763","0.0512","","","0.1501","0.1662","","","","","","1.092","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122595","5.2357","0.0006","45.397","0.005","11.9994","0.0013","90","","94.399","0.006","90","","2843.7","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H31 N O7 -","- C34 H31 N O7 -","- C136 H124 N4 O28 -","4","2","","Wasa, Masayuki; Liu, Richard Y.; Roche, Stéphane P; Jacobsen, Eric N.","Asymmetric Mannich synthesis of α-amino esters by anion-binding catalysis.","Journal of the American Chemical Society","2014","136","37","12872","12875","10.1021/ja5075163","","","1.54178","CuKα","","0.0328","0.0317","","","0.0763","0.0772","","","","","","1.045","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122596","13.9089","0.0017","14.6451","0.0018","29.827","0.004","82.953","0.002","78.017","0.002","66.121","0.001","5429.5","1.2","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C111 H116 Au7 B3 F12 O3 P8 -","- C111 H116 Au7 B3 F12 O3 P8 -","- C222 H232 Au14 B6 F24 O6 P16 -","2","1","","Shichibu, Yukatsu; Zhang, Mingzhe; Kamei, Yutaro; Konishi, Katsuaki","[Au7](3+): a missing link in the four-electron gold cluster family.","Journal of the American Chemical Society","2014","136","37","12892","12895","10.1021/ja508005x","","","0.71073","MoKα","","0.1311","0.0627","","","0.1593","0.2062","","","","","","0.96","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122598","10.8664","0.0002","17.5792","0.0003","17.7365","0.0003","90","","90","","90","","3388.07","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 Co P2 Si2 -","- C34 H46 Co P2 Si2 -","- C136 H184 Co4 P8 Si8 -","4","1","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","1.54178","CuKα","","0.0747","0.0735","","","0.2211","0.2221","","","","","","1.092","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122599","14.892","0.004","10.862","0.003","15.727","0.004","90","","95.056","0.005","90","","2534.1","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H46 Co P2 Si2 -","- C18 H46 Co P2 Si2 -","- C72 H184 Co4 P8 Si8 -","4","0.5","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","0.71073","MoKα","","0.0811","0.0523","","","0.1355","0.1552","","","","","","1.036","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122600","16.251","0.0014","10.3659","0.0009","12.8209","0.0011","90","","92.811","0.002","90","","2157.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H38 Co P2 Si2 -","- C14 H38 Co P2 Si2 -","- C56 H152 Co4 P8 Si8 -","4","0.5","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","0.71073","MoKα","","0.0234","0.0206","","","0.0589","0.0729","","","","","","1.228","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122601","20.3936","0.0005","11.7894","0.0003","19.1693","0.0005","90","","116.206","0.002","90","","4135.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 Co P2 Si2 -","- C43 H58 Co P2 Si2 -","- C172 H232 Co4 P8 Si8 -","4","1","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","1.54178","CuKα","","0.0517","0.0421","","","0.1063","0.1126","","","","","","1.022","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122602","9.9345","0.001","9.0704","0.0009","18.5496","0.0018","90","","95.247","0.002","90","","1664.5","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H36 Co P2 -","- C34 H36 Co P2 -","- C68 H72 Co2 P4 -","2","1","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","0.71073","MoKα","","0.0602","0.0495","","","0.1474","0.1565","","","","","","1.101","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122603","20.1817","0.0004","39.2294","0.001","29.3154","0.0007","90","","93.412","0.002","90","","23168.3","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C115 H101 Eu F9 N9 O21 S3 -","- C115 H101 Eu F9 N9 O21 S3 -","- C920 H808 Eu8 F72 N72 O168 S24 -","8","2","","Ayme, Jean-François; Gil-Ramírez, Guzmán; Leigh, David A.; Lemonnier, Jean-François; Markevicius, Augustinas; Muryn, Christopher A.; Zhang, Gen","Lanthanide template synthesis of a molecular trefoil knot.","Journal of the American Chemical Society","2014","136","38","13142","13145","10.1021/ja506886p","","","0.71073","MoKα","","0.231","0.1069","","","0.2713","0.36","","","","","","1.019","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122604","9.5404","0.0007","11.9679","0.001","18.6011","0.0011","90","","120.857","0.003","90","","1823.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 P3 -","- C15 H29 P3 -","- C60 H116 P12 -","4","1","","Longobardi, Lauren E.; Russell, Christopher A.; Green, Michael; Townsend, Nell S.; Wang, Kun; Holmes, Arthur J.; Duckett, Simon B.; McGrady, John E.; Stephan, Douglas W.","Hydrogen activation by an aromatic triphosphabenzene.","Journal of the American Chemical Society","2014","136","38","13453","13457","10.1021/ja5077525","","","0.71073","MoKα","","0.1031","0.0655","","","0.1662","0.1896","","","","","","1.026","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122605","15.2213","0.0017","18.6643","0.0019","16.9332","0.0019","90","","93.967","0.002","90","","4799.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H57 B Fe N7 P -","- C55 H57 B Fe N7 P -","- C220 H228 B4 Fe4 N28 P4 -","4","1","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.0997","0.0509","","","0.1079","0.1286","","","","","","1.019","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4122606","13.4351","0.0005","17.1822","0.0006","21.9969","0.0008","90","","98.822","0.002","90","","5017.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H65 B Fe N7 O P -","- C54 H65 B Fe N7 O P -","- C216 H260 B4 Fe4 N28 O4 P4 -","4","1","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.1073","0.0574","","","0.1122","0.128","","","","","","1.012","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122607","13.5728","0.0006","17.4335","0.0008","22.004","0.001","90","","99.14","0.002","90","","5140.5","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H67 B Fe N7 P -","- C55 H67 B Fe N7 P -","- C220 H268 B4 Fe4 N28 P4 -","4","1","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.0706","0.0487","","","0.1243","0.1379","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4122608","29.0822","0.0011","29.0822","0.0011","32.064","0.0015","90","","90","","120","","23485.7","1.7","100","2","100","2","","","","","","","","6","R -3","-R 3","148","HJL-PMe3-B1Z1","","","- C45 H53 B Fe N7 P -","- C45 H53 B Fe N7 P -","- C810 H954 B18 Fe18 N126 P18 -","18","","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.096","0.0661","","","0.167","0.1807","","","","","","1.086","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122609","16.4633","0.0007","53.391","0.002","16.162","0.0008","90","","90","","90","","14206.3","1.1","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C51 H65 B Fe N7 P -","- C51 H65 B Fe N7 P -","- C612 H780 B12 Fe12 N84 P12 -","12","3","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.0933","0.0645","","","0.1464","0.185","","","","","","1.024","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4122610","22.4029","0.0006","13.1509","0.0004","41.043","0.0011","90","","90.453","0.0014","90","","12091.6","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","DSA40","","","- C65.5 H62 B F9 Fe N7 P -","- C65.5 H62 B F9 Fe N7 P -","- C524 H496 B8 F72 Fe8 N56 P8 -","8","1","","Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M.","Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.","Journal of the American Chemical Society","2014","136","38","13326","13332","10.1021/ja506425a","","","0.71073","MoKα","","0.0574","0.0472","","","0.12","0.1275","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122611","9.1763","0.0003","9.5392","0.0003","17.2775","0.0007","90","","90","","90","","1512.38","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Br N O -","- C16 H26 Br N O -","- C64 H104 Br4 N4 O4 -","4","1","","Lee, Amy S.; Liau, Brian B.; Shair, Matthew D.","A unified strategy for the synthesis of 7-membered-ring-containing Lycopodium alkaloids.","Journal of the American Chemical Society","2014","136","38","13442","13452","10.1021/ja507740u","","","1.54178","CuKα","","0.0159","0.0159","","","0.0428","0.0428","","","","","","1.086","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122612","17.864","0.003","25.801","0.005","26.912","0.005","90","","91.809","0.003","90","","12398","4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C129 H112 Au11 Cl4 P7 -","- C129 H106 Au11 Cl4 P7 -","- C516 H424 Au44 Cl16 P28 -","4","1","","McKenzie, Lallie C.; Zaikova, Tatiana O.; Hutchison, James E.","Structurally similar triphenylphosphine-stabilized undecagolds, Au11(PPh3)7Cl3 and [Au11(PPh3)8Cl2]Cl, exhibit distinct ligand exchange pathways with glutathione.","Journal of the American Chemical Society","2014","136","38","13426","13435","10.1021/ja5075689","","","0.7749","synchrotron","","0.0573","0.0347","","","0.0822","0.0935","","","","","","1.069","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122613","22.5421","0.0015","18.0509","0.0012","34.593","0.002","90","","96.067","0.001","90","","13997.2","1.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C154 H148 Au11 Cl7 O4 P8 -","- C144 H120 Au11 Cl2 P8 -","- C576 H480 Au44 Cl8 P32 -","4","1","","McKenzie, Lallie C.; Zaikova, Tatiana O.; Hutchison, James E.","Structurally similar triphenylphosphine-stabilized undecagolds, Au11(PPh3)7Cl3 and [Au11(PPh3)8Cl2]Cl, exhibit distinct ligand exchange pathways with glutathione.","Journal of the American Chemical Society","2014","136","38","13426","13435","10.1021/ja5075689","","","0.71073","MoKα","","0.0886","0.0484","","","0.1045","0.1144","","","","","","1.04","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122614","12.8592","0.0008","16.5264","0.001","16.6726","0.001","90","","92.482","0.003","90","","3539.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Compound 24","","- C41 H56 N2 Ni -","- C41 H56 N2 Ni -","- C164 H224 N8 Ni4 -","4","1","","Bair, Joseph S.; Schramm, York; Sergeev, Alexey G.; Clot, Eric; Eisenstein, Odile; Hartwig, John F.","Linear-selective hydroarylation of unactivated terminal and internal olefins with trifluoromethyl-substituted arenes.","Journal of the American Chemical Society","2014","136","38","13098","13101","10.1021/ja505579f","","","0.71073","MoKα","","0.0399","0.0309","","","0.0661","0.0704","","","","","","1.038","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4122615","32.6205","0.0016","32.6205","0.0016","32.6205","0.0016","90","","90","","90","","34711","3","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C120 H76 O32 Zr6 -","- C120 H72 O32 Zr6 -","- C480 H288 O128 Zr24 -","4","0.0208333","","Manna, Kuntal; Zhang, Teng; Carboni, Michaël; Abney, Carter W.; Lin, Wenbin","Salicylaldimine-based metal-organic framework enabling highly active olefin hydrogenation with iron and cobalt catalysts.","Journal of the American Chemical Society","2014","136","38","13182","13185","10.1021/ja507947d","","","0.41328","","","0.0809","0.0771","","","0.2168","0.223","","","","","","2.033","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122616","12.5283","0.001","15.1652","0.0013","16.1665","0.0014","90","","97.5071","0.0017","90","","3045.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H64 Cl4 Fe4 N4 O7 -","- C64 H56 Cl4 Fe4 N4 O7 -","- C128 H112 Cl8 Fe8 N8 O14 -","2","0.5","","Manna, Kuntal; Zhang, Teng; Carboni, Michaël; Abney, Carter W.; Lin, Wenbin","Salicylaldimine-based metal-organic framework enabling highly active olefin hydrogenation with iron and cobalt catalysts.","Journal of the American Chemical Society","2014","136","38","13182","13185","10.1021/ja507947d","","","0.41328","","","0.1081","0.0873","","","0.2982","0.3052","","","","","","2.079","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122617","6.0917","0.0003","28.7804","0.0014","8.886","0.0004","90","","91.852","0.002","90","","1557.09","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(EDBE)[PbBr4]","2,2'-(ethylenedioxy)bis(ethylammonium) tetrabromoplumbate","","- C6 H18 Br4 N2 O2 Pb -","- C6 H18 Br4 N2 O2 Pb -","- C24 H72 Br16 N8 O8 Pb4 -","4","1","","Dohner, Emma R.; Jaffe, Adam; Bradshaw, Liam R.; Karunadasa, Hemamala I.","Intrinsic white-light emission from layered hybrid perovskites.","Journal of the American Chemical Society","2014","136","38","13154","13157","10.1021/ja507086b","","x-ray","0.71073","MoKα","","0.0246","0.0234","","","0.0623","0.0638","","","","","","1.085","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122618","6.494","0.0005","29.461","0.002","9.2666","0.0007","90","","91.777","0.002","90","","1772","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(EDBE)[PbI4]","2,2'-(ethylenedioxy)bis(ethylammonium) tetraiodoplumbate","","- C6 H18 I4 N2 O2 Pb -","- C6 H18 I4 N2 O2 Pb -","- C24 H72 I16 N8 O8 Pb4 -","4","1","","Dohner, Emma R.; Jaffe, Adam; Bradshaw, Liam R.; Karunadasa, Hemamala I.","Intrinsic white-light emission from layered hybrid perovskites.","Journal of the American Chemical Society","2014","136","38","13154","13157","10.1021/ja507086b","","x-ray","0.71073","MoKα","","0.0173","0.0163","","","0.0415","0.0425","","","","","","1.002","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122619","7.7316","0.001","7.5418","0.001","13.2928","0.0018","90","","102.481","0.004","90","","756.79","0.17","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","(EDBE)[PbCl4]","2,2'-(ethylenedioxy)bis(ethylammonium) tetrachloroplumbate","","- C6 H18 Cl4 N2 O2 Pb -","- C6 H18 Cl4 N2 O2 Pb -","- C12 H36 Cl8 N4 O4 Pb2 -","2","0.5","","Dohner, Emma R.; Jaffe, Adam; Bradshaw, Liam R.; Karunadasa, Hemamala I.","Intrinsic white-light emission from layered hybrid perovskites.","Journal of the American Chemical Society","2014","136","38","13154","13157","10.1021/ja507086b","","x-ray","0.71073","MoKα","","0.0285","0.0285","","","0.0786","0.0786","","","","","","1.155","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122620","4.8784","0.0008","10.6424","0.0017","15.881","0.003","99.955","0.002","96.953","0.002","90.633","0.002","805.7","0.2","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H12 Cl2 F3 N O5 -","- C14 H12 Cl2 F3 N O5 -","- C28 H24 Cl4 F6 N2 O10 -","2","2","","Lu, Deng-Fu; Zhu, Cheng-Liang; Jia, Zhen-Xin; Xu, Hao","Iron(II)-catalyzed intermolecular amino-oxygenation of olefins through the N-O bond cleavage of functionalized hydroxylamines.","Journal of the American Chemical Society","2014","136","38","13186","13189","10.1021/ja508057u","","","0.71073","MoKα","","0.0563","0.0495","","","0.1187","0.1238","","","","","","1.041","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122621","11.9963","0.0005","13.7328","0.0004","21.8345","0.0008","90.837","0.002","98.991","0.002","110.539","0.002","3317.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1_[(CyPBP)CoH]2","","","- C70 H112 B2 Co2 N4 P4 -","- C70 H112 B2 Co2 N4 P4 -","- C140 H224 B4 Co4 N8 P8 -","2","1","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.0431","0.0338","","","0.0891","0.095","","","","","","1.003","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122622","13.5896","0.0008","23.6347","0.0014","24.0614","0.0015","81.261","0.001","80.57","0.002","75.633","0.002","7335.1","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","2_[(CyPBP)CoH]2[PF6]","","","- C276 H470 B8 Co8 F24 N16 O5 P20 -","- C276 H470 B8 Co8 F24 N16 O5 P20 -","- C276 H470 B8 Co8 F24 N16 O5 P20 -","1","0.5","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.1021","0.0529","","","0.113","0.1315","","","","","","1.016","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122623","13.0122","0.0005","14.2187","0.0006","18.003","0.0007","97.033","0.002","108.039","0.002","115.166","0.002","2738.7","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","3_[(PhPBP)Ni]","","","- C64 H56 B2 N4 Ni2 P4 -","- C64 H56 B2 N4 Ni2 P4 -","- C128 H112 B4 N8 Ni4 P8 -","2","2","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.057","0.0409","","","0.0772","0.0933","","","","","","1.001","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122624","11.6572","0.0004","14.3769","0.0005","31.9983","0.0012","90","","90","","90","","5362.7","0.3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","5_(tBuPBP)NiCl","","","- C24 H44 B Cl N2 Ni P2 -","- C24 H44 B Cl N2 Ni P2 -","- C192 H352 B8 Cl8 N16 Ni8 P16 -","8","1","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.0302","0.0276","","","0.0721","0.0739","","","","","","1.006","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122625","12.502","0.002","15.269","0.004","17.419","0.004","102.463","0.006","107.648","0.008","90.012","0.007","3086.3","1.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","6_(tBuPBP)NiOTf","","","- C25 H44 B F3 N2 Ni O3 P2 S -","- C25 H44 B F3 N2 Ni O3 P2 S -","- C100 H176 B4 F12 N8 Ni4 O12 P8 S4 -","4","2","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.0536","0.0464","","","0.1133","0.1188","","","","","","1.032","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122626","11.9309","0.0017","15.669","0.002","29.546","0.004","90","","99.204","0.008","90","","5452.4","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7_(tBuPBP)NiH","","","- C24 H45 B N2 Ni P2 -","- C24 H45 B N2 Ni P2 -","- C192 H360 B8 N16 Ni8 P16 -","8","2","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.065","0.0411","","","0.0941","0.1047","","","","","","1.028","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122627","12.0755","0.0018","14.717","0.002","31.911","0.004","90","","90","","90","","5671.1","1.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","8_(tBuPBP)NiOC(H)O","","","- C25 H45 B N2 Ni O2 P2 -","- C25 H45 B N2 Ni O2 P2 -","- C200 H360 B8 N16 Ni8 O16 P16 -","8","1","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.1114","0.054","","","0.0991","0.1189","","","","","","1.021","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122628","7.9038","0.0006","9.2715","0.0007","9.2904","0.0007","61.644","0.001","72.462","0.001","82.794","0.001","571.14","0.08","113","2","113","2","","","","","","","","5","P -1","-P 1","2","K2{HOOC(CH2)4COOH}[Zn2(C2O4)3](H2O)3","","","- C12 H16 K2 O19 Zn2 -","- C12 K2 O19 Zn2 -","- C12 K2 O19 Zn2 -","1","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Kitagawa, Hiroshi","Proton conductivity control by ion substitution in a highly proton-conductive metal-organic framework.","Journal of the American Chemical Society","2014","136","38","13166","13169","10.1021/ja507634v","","","0.71073","MoKα","","0.0255","0.0251","","","0.0759","0.0761","","","","","","1.091","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122629","6.5138","0.0001","8.157","0.0001","25.3751","0.0017","90","","90","","90","","1348.26","0.09","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Han, Jing-Chun; Li, Fuzhuo; Li, Chuang-Chuang","Collective synthesis of humulanolides using a metathesis cascade reaction.","Journal of the American Chemical Society","2014","136","39","13610","13613","10.1021/ja5084927","","","1.54187","CuKα","","","0.056","","","","0.1707","","","","","","1.092","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122630","5.9752","0.0002","13.963","0.0004","17.2188","0.0012","90","","90","","90","","1436.59","0.12","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Han, Jing-Chun; Li, Fuzhuo; Li, Chuang-Chuang","Collective synthesis of humulanolides using a metathesis cascade reaction.","Journal of the American Chemical Society","2014","136","39","13610","13613","10.1021/ja5084927","","","1.54178","CuKα","","0.0689","0.0589","","","0.1376","0.1605","","","","","","1.179","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122631","13.8412","0.0019","17.037","0.002","20.983","0.003","90","","98.441","0.007","90","","4894.5","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H74 Fe2 N2 O P4 Si2 -","- C48 H74 Fe2 N2 O P4 Si2 -","- C192 H296 Fe8 N8 O4 P16 Si8 -","4","1","","Rittle, Jonathan; McCrory, Charles C. L.; Peters, Jonas C.","A 10(6)-Fold Enhancement in N2-Binding Affinity of an Fe2(μ-H)2 Core upon Reduction to a Mixed-Valence Fe(II)Fe(I) State.","Journal of the American Chemical Society","2014","136","39","13853","13862","10.1021/ja507217v","","","0.71073","MoKα","","0.06","0.0345","","","0.074","0.0846","","","","","","1.022","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122632","14.5593","0.001","14.5601","0.001","21.2237","0.0014","94.695","0.002","90.478","0.002","119.603","0.002","3892.5","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C70 H120.99 Fe2 N4 Na O10.5 P4 Si2 -","- C69.996 H120.99 Fe2 N4 Na O10.499 P4 Si2 -","- C139.992 H241.98 Fe4 N8 Na2 O20.998 P8 Si4 -","2","1","","Rittle, Jonathan; McCrory, Charles C. L.; Peters, Jonas C.","A 10(6)-Fold Enhancement in N2-Binding Affinity of an Fe2(μ-H)2 Core upon Reduction to a Mixed-Valence Fe(II)Fe(I) State.","Journal of the American Chemical Society","2014","136","39","13853","13862","10.1021/ja507217v","","","0.71073","MoKα","","0.0813","0.0487","","","0.1117","0.1279","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122633","13.6471","0.0002","15.0512","0.0003","16.2264","0.0003","90","","99.0936","0.0009","90","","3291.1","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H60 Ni2 -","- C34 H60 Ni2 -","- C136 H240 Ni8 -","4","1","","Yao, Shu A.; Corcos, Amanda R.; Infante, Ivan; Hillard, Elizabeth A.; Clérac, Rodolphe; Berry, John F.","An ""Intermediate Spin"" Nickel Hydride Complex Stemming from Delocalized Ni2(μ-H)2 Bonding.","Journal of the American Chemical Society","2014","136","39","13538","13541","10.1021/ja507342a","","","1.54178","CuKα","","0.0353","0.033","","","0.09","0.0922","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122634","12.5016","0.0003","18.0745","0.0004","20.0716","0.0005","72.074","0.001","88.776","0.001","84.763","0.001","4297.09","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Cp'2Ni2Br2","","","- C34 H58 Br2 Ni2 -","- C34 H58 Br1.996 Ni2 -","- C170 H290 Br9.98 Ni10 -","5","2.5","","Yao, Shu A.; Corcos, Amanda R.; Infante, Ivan; Hillard, Elizabeth A.; Clérac, Rodolphe; Berry, John F.","An ""Intermediate Spin"" Nickel Hydride Complex Stemming from Delocalized Ni2(μ-H)2 Bonding.","Journal of the American Chemical Society","2014","136","39","13538","13541","10.1021/ja507342a","","","0.71073","MoKα","","0.0804","0.035","","","0.0633","0.0689","","","","","","0.772","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122635","8.2681","0.0008","10.2507","0.001","10.4202","0.001","93.553","0.003","100.268","0.003","102.858","0.003","842.45","0.14","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H20 Au Cl N2 O2 S -","- C15 H20 Au Cl N2 O2 S -","- C30 H40 Au2 Cl2 N4 O4 S2 -","2","1","","Hu, Xingbang; Martin, David; Melaimi, Mohand; Bertrand, Guy","Gold-catalyzed hydroarylation of alkenes with dialkylanilines.","Journal of the American Chemical Society","2014","136","39","13594","13597","10.1021/ja507788r","","x-ray","0.71073","MoKα","","0.0484","0.0416","","","0.1096","0.1127","","","","","","1.106","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122636","9.19","0.0004","12.5091","0.0005","14.6497","0.0005","90","","106.992","0.001","90","","1610.59","0.11","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Au Cl N2 -","- C16 H22 Au Cl N2 -","- C64 H88 Au4 Cl4 N8 -","4","1","","Hu, Xingbang; Martin, David; Melaimi, Mohand; Bertrand, Guy","Gold-catalyzed hydroarylation of alkenes with dialkylanilines.","Journal of the American Chemical Society","2014","136","39","13594","13597","10.1021/ja507788r","","x-ray","0.71073","MoKα","","0.029","0.0229","","","0.0513","0.0534","","","","","","1.055","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122637","18.728","0.007","11.899","0.005","9.571","0.004","90","","90.329","0.005","90","","2132.8","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O -","- C27 H30 N2 O -","- C108 H120 N8 O4 -","4","1","","Deb, Arghya; Bag, Sukdev; Kancherla, Rajesh; Maiti, Debabrata","Palladium-catalyzed aryl C-h olefination with unactivated, aliphatic alkenes.","Journal of the American Chemical Society","2014","136","39","13602","13605","10.1021/ja5082734","","","0.71075","MoKα","","0.165","0.0903","","","0.2061","0.3157","","","","","","0.721","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122638","8.011","0.004","12.635","0.006","13.614","0.006","63.932","0.018","75.04","0.03","81.88","0.03","1195.2","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 O3 -","- C29 H30 N2 O3 -","- C58 H60 N4 O6 -","2","1","","Deb, Arghya; Bag, Sukdev; Kancherla, Rajesh; Maiti, Debabrata","Palladium-catalyzed aryl C-h olefination with unactivated, aliphatic alkenes.","Journal of the American Chemical Society","2014","136","39","13602","13605","10.1021/ja5082734","","","0.71075","MoKα","","0.1787","0.1054","","","0.2345","0.3014","","","","","","0.898","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122639","8.7109","0.0002","18.371","0.0003","13.1898","0.0002","90","","122.659","0.001","90","","1777.02","0.06","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 B Cu F4 N O -","- C18 H17 B Cu F4 N O -","- C72 H68 B4 Cu4 F16 N4 O4 -","4","1","","Yoshida, Suguru; Hatakeyama, Yasutomo; Johmoto, Kohei; Uekusa, Hidehiro; Hosoya, Takamitsu","Transient Protection of Strained Alkynes from Click Reaction via Complexation with Copper.","Journal of the American Chemical Society","2014","136","39","13590","13593","10.1021/ja507660x","","","1.54186","CuKα","","0.0413","0.0369","","","0.0976","0.1023","","","","","","1.091","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122640","8.3108","0.0009","6.1042","0.0007","11.6311","0.0013","90","","108.656","0.002","90","","559.05","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H10 Cl P -","- C14 H10 Cl P -","- C28 H20 Cl2 P2 -","2","1","","Velian, Alexandra; Nava, Matthew; Temprado, Manuel; Zhou, Yan; Field, Robert W.; Cummins, Christopher C.","A retro diels-alder route to diphosphorus chemistry: molecular precursor synthesis, kinetics of p2 transfer to 1,3-dienes, and detection of p2 by molecular beam mass spectrometry.","Journal of the American Chemical Society","2014","136","39","13586","13589","10.1021/ja507922x","","","0.71073","MoKα","","0.0299","0.0286","","","0.0765","0.0773","","","","","","1.064","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122641","10.5027","0.001","21.598","0.002","14.9821","0.0014","90","","104.9","0.002","90","","3284.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H23 Al2 Cl8 P2 -","- C29.5 H22 Al Cl8 P2 -","- C118 H88 Al4 Cl32 P8 -","4","1","","Velian, Alexandra; Nava, Matthew; Temprado, Manuel; Zhou, Yan; Field, Robert W.; Cummins, Christopher C.","A retro diels-alder route to diphosphorus chemistry: molecular precursor synthesis, kinetics of p2 transfer to 1,3-dienes, and detection of p2 by molecular beam mass spectrometry.","Journal of the American Chemical Society","2014","136","39","13586","13589","10.1021/ja507922x","","","0.71073","MoKα","","0.1064","0.0856","","","0.2156","0.2251","","","","","","1.197","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122642","15.716","0.003","19.409","0.004","20.207","0.004","90","","90","","90","","6164","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H25 B F4 Mo O3 P2 -","- C36 H25 B F4 Mo O3 P2 -","- C288 H200 B8 F32 Mo8 O24 P16 -","8","1","","Velian, Alexandra; Nava, Matthew; Temprado, Manuel; Zhou, Yan; Field, Robert W.; Cummins, Christopher C.","A retro diels-alder route to diphosphorus chemistry: molecular precursor synthesis, kinetics of p2 transfer to 1,3-dienes, and detection of p2 by molecular beam mass spectrometry.","Journal of the American Chemical Society","2014","136","39","13586","13589","10.1021/ja507922x","","","0.71073","MoKα","","0.0377","0.0335","","","0.087","0.0902","","","","","","1.101","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122643","20.508","0.002","11.6305","0.0012","20.199","0.002","90","","109.809","0.0019","90","","4532.8","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C49 H71 Cu3 N8 O -","- C49 H71 Cu3 N8 O -","- C196 H284 Cu12 N32 O4 -","4","1","","Murray, Leslie J.; Weare, Walter W.; Shearer, Jason; Mitchell, Alyssa D.; Abboud, Khalil A.","Isolation of a (Dinitrogen)Tricopper(I) Complex","Journal of the American Chemical Society","2014","","","140919104426007","","10.1021/ja506445d","","","0.71073","MoKα","","0.0639","0.0381","","","0.0608","0.0655","","","","","","0.887","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122644","6.7094","0.0015","15.687","0.004","19.052","0.004","90","","90","","90","","2005.2","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br Cl2 N O3 -","- C21 H18 Br Cl2 N O3 -","- C84 H72 Br4 Cl8 N4 O12 -","4","1","","Zhu, Yunbo; Zhang, Long; Luo, Sanzhong","Asymmetric α-Photoalkylation of β-Ketocarbonyls by Primary Amine Catalysis: Facile Access to Acyclic All-Carbon Quaternary Stereocenters.","Journal of the American Chemical Society","2014","136","42","14642","14645","10.1021/ja508605a","","","0.71073","MoKα","","0.0346","0.0332","","","0.0785","0.0796","","","","","","1.1","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122645","17.888","0.003","9.4477","0.0014","18.022","0.003","90","","90","","90","","3045.7","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C112 H168 N8 O16 S8 -","8","1","","Shigehisa, Hiroki; Koseki, Natsumi; Shimizu, Nao; Fujisawa, Mayu; Niitsu, Makoto; Hiroya, Kou","Catalytic hydroamination of unactivated olefins using a co catalyst for complex molecule synthesis.","Journal of the American Chemical Society","2014","136","39","13534","13537","10.1021/ja507295u","","","0.71073","MoKα","","0.0491","0.0407","","","0.1119","0.1205","","","","","","0.939","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122646","7.7421","0.0018","21.21","0.005","7.4082","0.0017","90","","98.222","0.002","90","","1204","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","","Shigehisa, Hiroki; Koseki, Natsumi; Shimizu, Nao; Fujisawa, Mayu; Niitsu, Makoto; Hiroya, Kou","Catalytic hydroamination of unactivated olefins using a co catalyst for complex molecule synthesis.","Journal of the American Chemical Society","2014","136","39","13534","13537","10.1021/ja507295u","","","0.71073","MoKα","","0.065","0.0417","","","0.1016","0.1136","","","","","","1.025","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122647","6.5204","0.0011","26.602","0.004","7.9704","0.0013","90","","101.144","0.002","90","","1356.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O2 S -","- C13 H19 N O2 S -","- C52 H76 N4 O8 S4 -","4","1","","Shigehisa, Hiroki; Koseki, Natsumi; Shimizu, Nao; Fujisawa, Mayu; Niitsu, Makoto; Hiroya, Kou","Catalytic hydroamination of unactivated olefins using a co catalyst for complex molecule synthesis.","Journal of the American Chemical Society","2014","136","39","13534","13537","10.1021/ja507295u","","","0.71073","MoKα","","0.0632","0.0535","","","0.1223","0.1285","","","","","","1.004","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122648","12.0434","0.0003","16.6809","0.0003","19.6812","0.0004","90","","105.521","0.002","90","","3809.66","0.15","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl2 F5 Fe N6 O8 -","- C37 H28 Cl2 F5 Fe N6 O8 -","- C148 H112 Cl8 F20 Fe4 N24 O32 -","4","1","","Sahu, Sumit; Quesne, Matthew G.; Davies, Casey G.; Dürr, Maximilian; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; de Visser, Sam P.; Goldberg, David P.","Direct Observation of a Nonheme Iron(IV)-Oxo Complex That Mediates Aromatic C-F Hydroxylation.","Journal of the American Chemical Society","2014","136","39","13542","13545","10.1021/ja507346t","","","1.54178","CuKα","","0.0449","0.0375","","","0.0946","0.0994","","","","","","1.034","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122649","11.468","0.0003","13.2371","0.0004","14.0375","0.0004","107.298","0.002","90.325","0.002","115.477","0.003","1814.52","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H28 Cl2 F3 Fe N6 O9 -","- C37 H28 Cl2 F3 Fe N6 O9 -","- C74 H56 Cl4 F6 Fe2 N12 O18 -","2","1","","Sahu, Sumit; Quesne, Matthew G.; Davies, Casey G.; Dürr, Maximilian; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; de Visser, Sam P.; Goldberg, David P.","Direct Observation of a Nonheme Iron(IV)-Oxo Complex That Mediates Aromatic C-F Hydroxylation.","Journal of the American Chemical Society","2014","136","39","13542","13545","10.1021/ja507346t","","","1.54178","CuKα","","0.0812","0.0724","","","0.2086","0.2158","","","","","","1.054","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122650","11.75412","0.00016","16.2865","0.0002","19.2739","0.0003","90","","99.2246","0.0013","90","","3641.95","0.09","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl2 F4 Fe N6 O8 -","- C37 H28 Cl2 F4 Fe N6 O8 -","- C148 H112 Cl8 F16 Fe4 N24 O32 -","4","1","","Sahu, Sumit; Quesne, Matthew G.; Davies, Casey G.; Dürr, Maximilian; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; de Visser, Sam P.; Goldberg, David P.","Direct Observation of a Nonheme Iron(IV)-Oxo Complex That Mediates Aromatic C-F Hydroxylation.","Journal of the American Chemical Society","2014","136","39","13542","13545","10.1021/ja507346t","","","0.71073","MoKα","","0.0386","0.0317","","","0.0815","0.0846","","","","","","1.051","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122651","10.4244","0.0007","31.64","0.002","12.6878","0.0008","90","","107.884","0.003","90","","3982.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cp*(IXy)(H)2RuSnTrip","","- C44 H60 N2 Ru Sn -","- C44 H58 N2 Ru Sn -","- C176 H232 N8 Ru4 Sn4 -","4","1","","Liu, Hsueh-Ju; Guihaumé, Julie; Davin, Thomas; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","1,2-Hydrogen Migration to a Saturated Ruthenium Complex via Reversal of Electronic Properties for Tin in a Stannylene-to-Metallostannylene Conversion.","Journal of the American Chemical Society","2014","136","40","13991","","10.1021/ja507799e","","","0.71073","MoKα","","0.0955","0.0867","","","0.2038","0.2073","","","","","","1.235","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122652","6.1781","0.0011","35.439","0.006","15.264","0.003","90","","100.518","0.003","90","","3285.8","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H74 N12 O14 S4 -","- C59 H74 N12 O14 S4 -","- C118 H148 N24 O28 S8 -","2","1","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.1243","0.094","","","0.2297","0.2395","","","","","","1.135","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122653","6.001","0.003","35.559","0.015","15.223","0.006","90","","101.047","0.004","90","","3188","2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H74 N12 O20 S4 -","- C50 H74 N12 O20 S4 -","- C100 H148 N24 O40 S8 -","2","1","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.217","0.1344","","","0.3043","0.3409","","","","","","1.138","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122654","16.068","0.004","18.326","0.004","35.252","0.008","80.336","0.003","85.481","0.003","77.775","0.003","9991","4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H82.18 N12 O22.17 S4 -","- C54.0047 H82.176 N12 O22.1617 S3.99833 -","- C324.028 H493.056 N72 O132.97 S23.99 -","6","6","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.1709","0.1099","","","0.2799","0.3016","","","","","","1.129","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122655","16.049","0.004","18.303","0.004","35.233","0.008","80.303","0.003","85.43","0.003","77.818","0.003","9961","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H82.18 N12 O22.17 S4 -","- C34 H43.3333 N12 O11.8643 S4 -","- C204 H260 N72 O71.186 S24 -","6","3","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.1676","0.1339","","","0.3601","0.3856","","","","","","1.261","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122656","12.043","0.005","15.891","0.006","34.087","0.013","84.671","0.005","87.393","0.005","83.725","0.004","6452","4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H82 N12 O17 S4 -","- C54 H82 N12 O17 S4 -","- C216 H328 N48 O68 S16 -","4","4","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Guest Exchange through Single Crystal-Single Crystal Transformations in a Flexible Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2014","136","40","14200","","10.1021/ja507689m","","","0.71073","MoKα","","0.2252","0.1405","","","0.3221","0.3487","","","","","","1.025","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122657","21.66","0.002","5.489","0.0007","16.9869","0.0018","90","","113.084","0.006","90","","1857.9","0.4","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C72 H120 O24 -","4","1","","Saha, Tanmoy; Dasari, Sathish; Tewari, Debanjan; Prathap, Annamalai; Sureshan, Kana M.; Bera, Amal K.; Mukherjee, Arnab; Talukdar, Pinaki","Hopping-Mediated Anion Transport through a Mannitol-Based Rosette Ion Channel.","Journal of the American Chemical Society","2014","136","40","14128","","10.1021/ja506278z","","","0.71073","MoKα","","0.1176","0.0678","","","0.1835","0.2309","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122658","14.199","0.005","5.526","0.005","18.342","0.005","90","0.005","93.478","0.005","90","0.005","1436.5","1.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O6 -","- C12 H22 O6 -","- C48 H88 O24 -","4","2","","Saha, Tanmoy; Dasari, Sathish; Tewari, Debanjan; Prathap, Annamalai; Sureshan, Kana M.; Bera, Amal K.; Mukherjee, Arnab; Talukdar, Pinaki","Hopping-Mediated Anion Transport through a Mannitol-Based Rosette Ion Channel.","Journal of the American Chemical Society","2014","136","40","14128","","10.1021/ja506278z","","","0.71073","MoKα","","0.0682","0.0409","","","0.111","0.1448","","","","","","1.113","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122659","37.246","0.0007","38.9864","0.0006","13.6966","0.0003","90","","90","","90","","19888.7","0.7","100.15","","100.15","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C92 H164 Cu4 O6 S6 Sm4 -","- C92 H164 Cu4 O6 S6 Sm4 -","- C736 H1312 Cu32 O48 S48 Sm32 -","8","0.5","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0417","0.0375","","","0.0911","0.093","","","","","","1.009","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122660","18.1249","0.0004","25.8707","0.0004","20.4267","0.0004","90","","95.652","0.002","90","","9531.6","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H137 As3 O4 S7 Sm4 -","- C86 H137 As3 O4 S7 Sm4 -","- C344 H548 As12 O16 S28 Sm16 -","4","1","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0335","0.0285","","","0.0654","0.0677","","","","","","1.045","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122661","13.009","0.003","13.399","0.003","19.68","0.004","85.64","0.03","87.33","0.03","69.09","0.03","3194.5","1.4","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H84 As3 O3 S6 Yb3 -","- C52 H84 As3 O3 S6 Yb3 -","- C104 H168 As6 O6 S12 Yb6 -","2","1","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0843","0.0682","","","0.1675","0.1776","","","","","","1.028","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122662","14.0987","0.0005","28.9735","0.0014","16.6015","0.0006","90","","112.253","0.003","90","","6276.4","0.5","100.15","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H95 As2 O S6 Sm3 -","- C55 H95 As2 O S6 Sm3 -","- C220 H380 As8 O4 S24 Sm12 -","4","1","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0632","0.03","","","0.0435","0.0499","","","","","","0.808","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122663","8.5385","0.0003","11.9152","0.0005","19.7595","0.001","93.682","0.004","90.745","0.004","108.932","0.003","1896.4","0.15","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 As2 S6 Yb3 -","- C30 H45 As2 S6 Yb3 -","- C60 H90 As4 S12 Yb6 -","2","1","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0685","0.0491","","","0.1177","0.1301","","","","","","0.956","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122664","23.933","0.005","15.656","0.003","27.292","0.006","90","","102.18","0.03","90","","9996","4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H129 As3 O3 S7 Sm4 -","- C82 H129 As3 O3 S7 Sm4 -","- C328 H516 As12 O12 S28 Sm16 -","4","1","","Arleth, Nicholas; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W.","Realgar as a Building Block for Lanthanide Clusters: Encapsulation of a Copper Cluster by a Lanthanide Cluster.","Journal of the American Chemical Society","2014","136","40","14023","","10.1021/ja508880z","","","0.71073","MoKα","","0.0731","0.0397","","","0.0571","0.0628","","","","","","0.893","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122665","6.7753","0.0003","9.7463","0.0004","10.5571","0.0005","90","","93.5333","0.0006","90","","695.8","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 Br N O -","- C16 H16 Br N O -","- C32 H32 Br2 N2 O2 -","2","1","","Li, Ling; Zhao, Shibin; Joshi-Pangu, Amruta; Diane, Mohamed; Biscoe, Mark R.","Stereospecific Pd-Catalyzed Cross-Coupling Reactions of Secondary Alkylboron Nucleophiles and Aryl Chlorides.","Journal of the American Chemical Society","2014","136","40","14027","","10.1021/ja508815w","","","0.71073","MoKα","","0.0212","0.0209","","","0.0527","0.0529","","","","","","1.067","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122666","12.6369","0.0018","16.656","0.002","10.926","0.0017","90","","96.734","0.004","90","","2283.8","0.6","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N -","- C31 H29 N -","- C124 H116 N4 -","4","1","","Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert","Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group.","Journal of the American Chemical Society","2014","136","40","14263","","10.1021/ja508065e","","","0.71073","MoKα","","0.1235","0.0605","","","0.1448","0.1727","","","","","","1.078","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122667","9.8402","0.0004","8.4762","0.0004","28.5374","0.0012","90","","92.7937","0.0012","90","","2377.4","0.18","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 N Si -","- C30 H29 N Si -","- C120 H116 N4 Si4 -","4","1","","Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert","Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group.","Journal of the American Chemical Society","2014","136","40","14263","","10.1021/ja508065e","","","0.71073","MoKα","","0.0421","0.0348","","","0.0878","0.0926","","","","","","1.06","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122668","17.8165","0.0011","18.3144","0.0011","23.5832","0.0017","90","","90","","90","","7695.2","0.9","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C45 H44.35 B F4 N O2.18 Si -","- C45 H44 B F4 N O2.178 Si -","- C360 H352 B8 F32 N8 O17.424 Si8 -","8","2","","Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert","Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group.","Journal of the American Chemical Society","2014","136","40","14263","","10.1021/ja508065e","","","0.71073","MoKα","","0.0696","0.0459","","","0.1004","0.1105","","","","","","1.054","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122669","10.0798","0.0004","10.0798","0.0004","31.705","0.002","90","","90","","120","","2789.7","0.2","100","2","100","2","","","","","","","","6","P 31","P 31","144","","","","- C46 H44 B F4 N O2 -","- C46 H44 B F4 N O2 -","- C138 H132 B3 F12 N3 O6 -","3","1","","Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert","Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group.","Journal of the American Chemical Society","2014","136","40","14263","","10.1021/ja508065e","","","0.71073","MoKα","","0.0433","0.0375","","","0.0827","0.0851","","","","","","1.049","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122670","9.1164","0.0006","27.1275","0.0016","9.9782","0.0006","90","","100.629","0.002","90","","2425.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 B F4 N O2 -","- C27 H30 B F4 N O2 -","- C108 H120 B4 F16 N4 O8 -","4","1","","Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert","Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group.","Journal of the American Chemical Society","2014","136","40","14263","","10.1021/ja508065e","","","0.71073","MoKα","","0.0603","0.0452","","","0.1041","0.1123","","","","","","1.056","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122671","11.5861","0.0016","12.2589","0.0017","16.041","0.002","82.4668","0.0016","88.9589","0.0016","75.582","0.0015","2187.3","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- H68 K4 Na6 Ni4 O102 P2 W18 -","- H4 K4 Na6 Ni4 O102 P2 W18 -","- H4 K4 Na6 Ni4 O102 P2 W18 -","1","0.5","","Lv, Hongjin; Guo, Weiwei; Wu, Kaifeng; Chen, Zheyuan; Bacsa, John; Musaev, Djamaladdin G.; Geletii, Yurii V.; Lauinger, Sarah M.; Lian, Tianquan; Hill, Craig L.","A Noble-Metal-Free, Tetra-nickel Polyoxotungstate Catalyst for Efficient Photocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2014","136","40","14015","","10.1021/ja5084078","","","0.71073","MoKα","","0.0444","0.0362","","","0.0893","0.0938","","","","","","1.042","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122672","8.6328","0.0009","8.7993","0.0009","28.664","0.003","89.787","0.002","83.161","0.002","73.91","0.003","2076.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H38 N12 O11 -","- C45 H38 N12 O11 -","- C90 H76 N24 O22 -","2","1","","Zhao, Huaiqing; Sheng, Shen; Hong, Yunhan; Zeng, Huaqiang","Proton Gradient-Induced Water Transport Mediated by Water Wires Inside Narrow Aquapores of Aquafoldamer Molecules.","Journal of the American Chemical Society","2014","136","40","14270","","10.1021/ja5077537","","","0.71073","MoKα","","0.1051","0.0751","","","0.1436","0.1539","","","","","","1.156","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122673","13.137","0.0017","10.1694","0.0014","26.597","0.004","90","","98.7","0.003","90","","3512.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 N9 O9 -","- C40 H31 N9 O9 -","- C160 H124 N36 O36 -","4","1","","Zhao, Huaiqing; Sheng, Shen; Hong, Yunhan; Zeng, Huaqiang","Proton Gradient-Induced Water Transport Mediated by Water Wires Inside Narrow Aquapores of Aquafoldamer Molecules.","Journal of the American Chemical Society","2014","136","40","14270","","10.1021/ja5077537","","","0.71073","MoKα","","0.0869","0.0597","","","0.1425","0.1616","","","","","","1.088","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122674","7.4551","0.0008","14.761","0.0014","28.613","0.003","90","","93.752","0.002","90","","3142","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 N9 O8 -","- C33 H29 N9 O8 -","- C132 H116 N36 O32 -","4","1","","Zhao, Huaiqing; Sheng, Shen; Hong, Yunhan; Zeng, Huaqiang","Proton Gradient-Induced Water Transport Mediated by Water Wires Inside Narrow Aquapores of Aquafoldamer Molecules.","Journal of the American Chemical Society","2014","136","40","14270","","10.1021/ja5077537","","","0.71073","MoKα","","0.0746","0.0525","","","0.1345","0.1513","","","","","","1.063","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122675","13.4832","0.0014","10.4163","0.0012","13.7636","0.0016","90","","95.496","0.003","90","","1924.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Zhao, Huaiqing; Sheng, Shen; Hong, Yunhan; Zeng, Huaqiang","Proton Gradient-Induced Water Transport Mediated by Water Wires Inside Narrow Aquapores of Aquafoldamer Molecules.","Journal of the American Chemical Society","2014","136","40","14270","","10.1021/ja5077537","","","0.71073","MoKα","","0.0941","0.067","","","0.1321","0.1458","","","","","","1.025","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122676","79.378","0.007","12.2996","0.001","31.089","0.003","90","","112.633","0.002","90","","28015","4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H22 Cl3 O4 P -","- C43 H22 Cl3 O4 P -","- C1376 H704 Cl96 O128 P32 -","32","4","","Yamamura, Masaki; Saito, Tsuyoshi; Nabeshima, Tatsuya","Phosphorus-Containing Chiral Molecule for Fullerene Recognition Based on Concave/Convex Interaction.","Journal of the American Chemical Society","2014","136","40","14299","","10.1021/ja507913u","","","0.71073","MoKα","","0.1447","0.0928","","","0.1934","0.2144","","","","","","1.122","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122677","31.285","0.006","31.285","0.006","16.399","0.004","90","","90","","90","","16051","6","120","2","120","2","","","","","","","","4","I 41","I 4bw","80","","","","- C228 H84 O16 P4 -","- C228 H84 O16 P4 -","- C912 H336 O64 P16 -","4","0.5","","Yamamura, Masaki; Saito, Tsuyoshi; Nabeshima, Tatsuya","Phosphorus-Containing Chiral Molecule for Fullerene Recognition Based on Concave/Convex Interaction.","Journal of the American Chemical Society","2014","136","40","14299","","10.1021/ja507913u","","","0.71073","MoKα","","0.073","0.0569","","","0.133","0.1399","","","","","","1.162","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122678","11.548","0.003","16.863","0.004","16.778","0.004","90","","100.312","0.003","90","","3214.5","1.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H21 O4 P -","- C42 H21 O4 P -","- C168 H84 O16 P4 -","4","2","","Yamamura, Masaki; Saito, Tsuyoshi; Nabeshima, Tatsuya","Phosphorus-Containing Chiral Molecule for Fullerene Recognition Based on Concave/Convex Interaction.","Journal of the American Chemical Society","2014","136","40","14299","","10.1021/ja507913u","","","0.71073","MoKα","","0.1149","0.0885","","","0.2383","0.2634","","","","","","1.013","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122679","7.8695","0.00017","11.6934","0.0003","12.1791","0.0003","102.214","0.002","105.141","0.002","99.416","0.002","1028.5","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 F6 N5 Pt Sb -","- C18 H20 F6 N5 Pt Sb -","- C36 H40 F12 N10 Pt2 Sb2 -","2","1","","Petersen, Allan R.; Taylor, Russell A.; Vicente-Hernández, Inmaculada; Mallender, Philip R.; Olley, Harriet; White, Andrew J. P.; Britovsek, George J. P.","Oxygen Insertion into Metal Carbon Bonds: Formation of Methylperoxo Pd(II) and Pt(II) Complexes via Photogenerated Dinuclear Intermediates.","Journal of the American Chemical Society","2014","136","40","14089","14099","10.1021/ja5055143","","","0.71073","MoKα","","0.0274","0.0223","","","0.0499","0.0517","","","","","","1.059","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122680","8.92385","0.00016","14.6411","0.0003","21.3047","0.0003","91.8823","0.0015","100.599","0.0014","104.132","0.0017","2644.42","0.09","173","","173","","","","","","","","","7","P 1","P 1","1","","","","- C26.7 H23.4 F6 N3 O0.9 Pt Sb -","- C26.7 H23.4 F6 N3 O0.9 Pt Sb -","- C106.8 H93.6 F24 N12 O3.6 Pt4 Sb4 -","4","4","","Petersen, Allan R.; Taylor, Russell A.; Vicente-Hernández, Inmaculada; Mallender, Philip R.; Olley, Harriet; White, Andrew J. P.; Britovsek, George J. P.","Oxygen Insertion into Metal Carbon Bonds: Formation of Methylperoxo Pd(II) and Pt(II) Complexes via Photogenerated Dinuclear Intermediates.","Journal of the American Chemical Society","2014","136","40","14089","14099","10.1021/ja5055143","","","0.71073","MoKα","","0.0427","0.0338","","","0.0854","0.0871","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122681","11.82761","0.00009","7.52718","0.00006","24.4124","0.0002","90","","93.9813","0.0008","90","","2168.16","0.03","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 F6 N5 Pt Sb -","- C20 H16 F6 N5 Pt Sb -","- C80 H64 F24 N20 Pt4 Sb4 -","4","1","","Petersen, Allan R.; Taylor, Russell A.; Vicente-Hernández, Inmaculada; Mallender, Philip R.; Olley, Harriet; White, Andrew J. P.; Britovsek, George J. P.","Oxygen Insertion into Metal Carbon Bonds: Formation of Methylperoxo Pd(II) and Pt(II) Complexes via Photogenerated Dinuclear Intermediates.","Journal of the American Chemical Society","2014","136","40","14089","14099","10.1021/ja5055143","","","1.54184","CuKα","","0.0285","0.0249","","","0.0609","0.0623","","","","","","1.105","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122682","15.156","0.003","11.359","0.003","21.942","0.004","90","","100.659","0.005","90","","3712.3","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 Cl N3 -","- C23 H18 Cl N3 -","- C184 H144 Cl8 N24 -","8","1","","Daw, Prosenjit; Petakamsetty, Ramu; Sarbajna, Abir; Laha, Siladitya; Ramapanicker, Ramesh; Bera, Jitendra K.","A Highly Efficient Catalyst for Selective Oxidative Scission of Olefins to Aldehydes: Abnormal-NHC-Ru(II) Complex in Oxidation Chemistry.","Journal of the American Chemical Society","2014","136","40","13987","","10.1021/ja5075294","","","0.71073","MoKα","","0.1102","0.0574","","","0.123","0.1494","","","","","","1.005","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122683","10.9052","0.0007","17.507","0.0011","15.5267","0.001","90","","94.072","0.001","90","","2956.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 Br2 Cl2 N3 Ru -","- C32 H31 Br2 Cl2 N3 Ru -","- C128 H124 Br8 Cl8 N12 Ru4 -","4","1","","Daw, Prosenjit; Petakamsetty, Ramu; Sarbajna, Abir; Laha, Siladitya; Ramapanicker, Ramesh; Bera, Jitendra K.","A Highly Efficient Catalyst for Selective Oxidative Scission of Olefins to Aldehydes: Abnormal-NHC-Ru(II) Complex in Oxidation Chemistry.","Journal of the American Chemical Society","2014","136","40","13987","","10.1021/ja5075294","","","0.71073","MoKα","","0.1191","0.0766","","","0.2119","0.2591","","","","","","1.081","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122684","14.465","0.002","15.922","0.001","35.52","0.003","90","","111.57","0.01","90","","7607.8","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H50 La N8 O19 Y -","- C65 H47 La N8 O19 Y -","- C260 H188 La4 N32 O76 Y4 -","4","1","","Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem","Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates.","Journal of the American Chemical Society","2014","136","40","14215","","10.1021/ja507809w","","","0.71073","MoKα","","0.1576","0.0853","","","0.1968","0.2334","","","","","","1","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122685","14.45","0.001","15.867","0.002","35.483","0.003","90","","110.535","0.007","90","","7618.5","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H57 Ce0.7 N10 O19 Y1.3 -","- C75 H54 Ce0.7 N10 O19 Y1.3 -","- C300 H216 Ce2.8 N40 O76 Y5.2 -","4","1","","Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem","Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates.","Journal of the American Chemical Society","2014","136","40","14215","","10.1021/ja507809w","","","0.71073","MoKα","","0.1739","0.0973","","","0.2243","0.2721","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122686","14.45","0.003","15.827","0.003","35.468","0.006","90","","112.707","0.006","90","","7483","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H60 Ce N10 O19 Y -","- C75 H60 Ce N10 O19 Y -","- C300 H240 Ce4 N40 O76 Y4 -","4","1","","Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem","Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates.","Journal of the American Chemical Society","2014","136","40","14215","","10.1021/ja507809w","","","0.7749","synchrotron","","0.0779","0.0583","","","0.1515","0.165","","","","","","1.041","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122687","14.5502","0.0003","15.8974","0.0003","35.5552","0.0009","90","","112.521","0.002","90","","7597.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H60 Ce Er N10 O19 -","- C75 H60 Ce Er N10 O19 -","- C300 H240 Ce4 Er4 N40 O76 -","4","1","","Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem","Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates.","Journal of the American Chemical Society","2014","136","40","14215","","10.1021/ja507809w","","","0.71073","MoKα","","0.117","0.0569","","","0.1101","0.1208","","","","","","0.921","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122688","14.5226","0.0011","15.8712","0.0011","35.345","0.002","90","","112.646","0.002","90","","7518.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77.5 H62.5 Er La N10.5 O19 -","- C77.5 H60.5 Er La N10.5 O19 -","- C310 H242 Er4 La4 N42 O76 -","4","1","","Aguilà, David; Barrios, Leoní A; Velasco, Verónica; Roubeau, Olivier; Repollés, Ana; Alonso, Pablo J.; Sesé, Javier; Teat, Simon J.; Luis, Fernando; Aromí, Guillem","Heterodimetallic [LnLn'] Lanthanide Complexes: Toward a Chemical Design of Two-Qubit Molecular Spin Quantum Gates.","Journal of the American Chemical Society","2014","136","40","14215","","10.1021/ja507809w","","","0.7749","synchrotron","","0.0932","0.0838","","","0.1959","0.2003","","","","","","1.185","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122689","13.7444","0.0001","11.4337","0.0001","20.4733","0.0002","90","","94.8","0.001","90","","3206.08","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 N4 Si -","- C34 H46 N4 Si -","- C136 H184 N16 Si4 -","4","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","","1.54184","CuKα","","0.0559","0.0526","","","0.1442","0.1488","","","","","","1.044","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122690","20.2447","0.0002","13.0816","0.0001","23.9262","0.0003","90","","112.898","0.001","90","","5837.13","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 Br N3 Si -","- C29 H42 Br N3 Si -","- C232 H336 Br8 N24 Si8 -","8","2","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","","1.54184","CuKα","","0.0428","0.0395","","","0.0989","0.1011","","","","","","1.1","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122691","9.0265","0.0002","19.804","0.0004","10.3399","0.0003","90","","114.806","0.003","90","","1677.83","0.08","150","2","150","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C32 H50 N6 Si2 -","- C32 H50 N6 Si2 -","- C64 H100 N12 Si4 -","2","0.5","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","x-ray","1.54184","CuKα","","0.0759","0.0722","","","0.1848","0.1878","","","","","","1.034","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122692","16.1243","0.0002","12.8303","0.0002","13.7672","0.0002","90","","96.057","0.001","90","","2832.25","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 N4 Si -","- C29 H44 N4 Si -","- C116 H176 N16 Si4 -","4","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","","1.54184","CuKα","","0.0459","0.0372","","","0.0912","0.0978","","","","","","1.025","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122693","21.7599","0.0004","14.356","0.0002","21.8626","0.0004","90","","90","","90","","6829.6","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H51 N5 Si -","- C36 H51 N5 Si -","- C288 H408 N40 Si8 -","8","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","","1.54184","CuKα","","0.0673","0.0468","","","0.1099","0.1235","","","","","","1.028","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122694","11.9124","0.0005","13.7376","0.0005","18.3154","0.0007","87.411","0.003","80.195","0.003","74.748","0.004","2849.5","0.2","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H82 Br2 Li2 N6 Si2 -","- C58 H82 Br2 Li2 N6 Si2 -","- C116 H164 Br4 Li4 N12 Si4 -","2","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","x-ray","1.54184","CuKα","","0.0889","0.0748","","","0.1814","0.1961","","","","","","1.127","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122695","9.149","0.005","12.298","0.005","19.169","0.005","74.475","0.005","89.769","0.005","80.187","0.005","2045.7","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H30 N O7 Si -","- C43 H65 N O7 Si -","- C86 H130 N2 O14 Si2 -","2","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","1.5418","CuKα","","0.0755","0.0497","","","0.1361","0.1815","","","","","","1.039","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122696","11.236","0.003","9.694","0.002","30.536","0.007","90","","99.891","0.007","90","","3276.6","1.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 Br Cl7 N3 O3 -","- C25 H35 Br Cl7 N3 O3 -","- C100 H140 Br4 Cl28 N12 O12 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71075","MoKα","","0.1792","0.1211","","","0.2551","0.2879","","","","","","1.423","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122697","9.951","0.003","10.858","0.004","12.328","0.003","114.423","0.009","90.61","0.008","101.279","0.007","1183.1","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H33 Br Cl N3 O3 -","- C23 H32 Br N3 O3 -","- C46 H64 Br2 N6 O6 -","2","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71075","MoKα","","0.059","0.0479","","","0.1218","0.127","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122698","7.4902","0.0009","10.5726","0.0013","21.85","0.002","90","","90","","90","","1730.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O5 -","- C18 H27 N O5 -","- C72 H108 N4 O20 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71074","MoKα","","0.0351","0.033","","","0.0831","0.0843","","","","","","1.04","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122699","7.6223","0.0009","17.3371","0.0015","23.506","0.003","90","","95.126","0.002","90","","3093.9","0.6","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 Br Cl6 N3 O4 -","- C25 H32 Br Cl6 N3 O4 -","- C100 H128 Br4 Cl24 N12 O16 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71075","MoKα","","0.0609","0.0455","","","0.1037","0.1154","","","","","","1.02","","","","has coordinates,has disorder","179028","2020-10-21","18:00:00",""
"4122700","8.344","0.002","14.187","0.003","15.306","0.003","90","","105.013","0.011","90","","1750","0.7","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H42 Br Cl6 N3 O5 -","- C26 H38 Br Cl2 N3 O5 -","- C52 H76 Br2 Cl4 N6 O10 -","2","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71075","MoKα","","0.1025","0.0806","","","0.2094","0.2225","","","","","","1.042","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122701","14.7885","0.0018","15.481","0.002","14.806","0.002","90","","98.104","0.011","90","","3355.8","0.8","153","2","153","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C35 H52 N4 O4 -","- C35 H52 N4 O4 -","- C140 H208 N16 O16 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71075","MoKα","","0.0462","0.0428","","","0.1099","0.1123","","","","","","1.07","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122702","6.1992","0.0004","12.3171","0.0009","30.606","0.0015","90","","90","","90","","2337","0.3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 Cl3 N2 O5 -","- C20 H33 Cl3 N2 O5 -","- C80 H132 Cl12 N8 O20 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71074","MoKα","","0.049","0.0386","","","0.094","0.1023","","","","","","0.968","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122703","8.9767","0.0003","9.9161","0.0003","27.7083","0.0019","90","","90","","90","","2466.4","0.2","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","1","","Romney, David K.; Colvin, Sean M.; Miller, Scott J.","Catalyst Control over Regio- and Enantioselectivity in Baeyer-Villiger Oxidations of Functionalized Ketones.","Journal of the American Chemical Society","2014","136","40","14019","","10.1021/ja508757g","","","1.54187","CuKα","","0.1079","0.0549","","","0.1313","0.154","","","","","","0.924","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122704","18.553","0.0007","50.228","0.004","5.1431","0.0002","90","","90","","90","","4792.8","0.5","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C224 H272 N16 O32 -","16","1","","Romney, David K.; Colvin, Sean M.; Miller, Scott J.","Catalyst Control over Regio- and Enantioselectivity in Baeyer-Villiger Oxidations of Functionalized Ketones.","Journal of the American Chemical Society","2014","136","40","14019","","10.1021/ja508757g","","","1.54187","CuKα","","0.107","0.0733","","","0.187","0.2213","","","","","","1.157","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122705","16.0042","0.0015","9.8362","0.0008","22.3583","0.0019","90","","100.198","0.002","90","","3464.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 N2 -","- C38 H60 N2 -","- C152 H240 N8 -","4","1","","Olankitwanit, Arnon; Pink, Maren; Rajca, Suchada; Rajca, Andrzej","Synthesis of Aza-m-Xylylene Diradicals with Large Singlet-Triplet Energy Gap and Statistical Analyses of Their EPR Spectra.","Journal of the American Chemical Society","2014","136","40","14277","","10.1021/ja508119d","","","0.41328","synchrotron","","0.147","0.069","","","0.134","0.1627","","","","","","0.991","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122706","6.9085","0.0009","10.0392","0.0012","21.009","0.003","90","","93.407","0.002","90","","1454.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","1","","Olankitwanit, Arnon; Pink, Maren; Rajca, Suchada; Rajca, Andrzej","Synthesis of Aza-m-Xylylene Diradicals with Large Singlet-Triplet Energy Gap and Statistical Analyses of Their EPR Spectra.","Journal of the American Chemical Society","2014","136","40","14277","","10.1021/ja508119d","","","0.41328","synchrotron","","0.0664","0.0512","","","0.154","0.1645","","","","","","1.066","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122707","31.3443","0.001","32.3864","0.0011","92.098","0.003","90","","90","","90","","93491","5","150","2","150","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- Ce7 H434 K Mo100 O518 -","- Ce7 K Mo100 O477.6 -","- Ce56 K8 Mo800 O3820.8 -","8","0.5","","Xuan, Weimin; Surman, Andrew J.; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy","Controlling the Ring Curvature, Solution Assembly, and Reactivity of Gigantic Molybdenum Blue Wheels.","Journal of the American Chemical Society","2014","136","40","14114","","10.1021/ja5062483","","","0.71073","MoKα","","0.084","0.058","","","0.147","0.19","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122708","27.0684","0.0014","28.3041","0.0014","35.7553","0.0018","92.786","0.003","110.338","0.002","91.695","0.003","25624","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- Ce14 H1104 K2 Mo200 O1154 -","- Ce14 K Mo200 O968.7 -","- Ce14 K Mo200 O968.7 -","1","0.5","","Xuan, Weimin; Surman, Andrew J.; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy","Controlling the Ring Curvature, Solution Assembly, and Reactivity of Gigantic Molybdenum Blue Wheels.","Journal of the American Chemical Society","2014","136","40","14114","","10.1021/ja5062483","","","0.71073","MoKα","","0.0834","0.0556","","","0.1474","0.1793","","","","","","1.104","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122709","10.272","0.002","10.655","0.002","17.385","0.004","92.947","0.006","101.171","0.006","117.538","0.005","1633.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H38 F4 N2 O3 Ru -","- C37 H38 F4 N2 O3 Ru -","- C74 H76 F8 N4 O6 Ru2 -","2","1","","Khan, R Kashif M; Torker, Sebastian; Hoveyda, Amir H.","Reactivity and Selectivity Differences between Catecholate and Catechothiolate Ru Complexes. Implications Regarding Design of Stereoselective Olefin Metathesis Catalysts.","Journal of the American Chemical Society","2014","136","41","14337","","10.1021/ja505961z","","","1.54178","CuKα","","0.0209","0.0208","","","0.0508","0.0509","","","","","","1.053","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122710","15.5758","0.0008","15.505","0.0008","15.5858","0.0008","90","","98.722","0.003","90","","3720.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H47 N3 O2 Ru -","- C45 H47 N3 O2 Ru -","- C180 H188 N12 O8 Ru4 -","4","1","","Khan, R Kashif M; Torker, Sebastian; Hoveyda, Amir H.","Reactivity and Selectivity Differences between Catecholate and Catechothiolate Ru Complexes. Implications Regarding Design of Stereoselective Olefin Metathesis Catalysts.","Journal of the American Chemical Society","2014","136","41","14337","","10.1021/ja505961z","","","0.71073","MoKα","","0.0859","0.043","","","0.0766","0.0891","","","","","","1.008","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122711","20.0944","0.0014","20.0944","0.0014","20.0944","0.0014","90","","90","","90","","8113.8","1","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C2 H N O1.17 Zn0.67 -","- C2 H N O1.16667 Zn0.666667 -","- C96 H48 N48 O56 Zn32 -","48","1","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","0.71073","MoKα","","0.0748","0.0552","","","0.1627","0.1703","","","","","","1.077","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122712","20.0872","0.0019","20.0872","0.0019","20.0872","0.0019","90","","90","","90","","8105.1","1.3","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C48 H24 N24 O68 Zn24 -","- C48 H24 N24 O68 Zn24 -","- C48 H24 N24 O68 Zn24 -","1","0.0833333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","0.71073","MoKα","","0.1252","0.1109","","","0.2419","0.2484","","","","","","1.188","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122713","20.1619","0.0003","20.1619","0.0003","20.1619","0.0003","90","","90","","90","","8195.9","0.2","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H12 N12 O14 Zn8 -","- C24 H12 N12 O14 Zn8 -","- C96 H48 N48 O56 Zn32 -","4","0.333333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.1428","0.1245","","","0.2471","0.2548","","","","","","1.166","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122714","20.131","0.0004","20.131","0.0004","20.131","0.0004","90","","90","","90","","8158.2","0.3","203","2","203","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C24 H12 Co2 N12 O14 Zn6 -","- C24 H12 Co2 N12 O14 Zn6 -","- C96 H48 Co8 N48 O56 Zn24 -","4","0.333333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.1206","0.0885","","","0.1769","0.1938","","","","","","1.066","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122715","20.1616","0.0002","20.1616","0.0002","20.1616","0.0002","90","","90","","90","","8195.49","0.14","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H12 N12 O14 Zn8 -","- C24 H12 N12 O14 Zn8 -","- C96 H48 N48 O56 Zn32 -","4","0.333333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.1417","0.1223","","","0.2619","0.2732","","","","","","1.061","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122716","20.1405","0.0001","20.1405","0.0001","20.1405","0.0001","90","","90","","90","","8169.79","0.07","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C96 H48 N48 O56 Zn32 -","- C96 H48 N48 O56 Zn32 -","- C96 H48 N48 O56 Zn32 -","1","0.0833333","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.1403","0.1256","","","0.267","0.2745","","","","","","1.104","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122717","20.1448","0.0001","20.1448","0.0001","20.1448","0.0001","90","","90","","90","","8175.02","0.07","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C2 H N O1.17 Zn0.67 -","- C2 H N O1.16667 Zn0.666667 -","- C96 H48 N48 O56 Zn32 -","48","1","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.0787","0.0748","","","0.1855","0.1873","","","","","","1.183","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122718","20.1107","0.0001","20.1107","0.0001","20.1107","0.0001","90","","90","","90","","8133.58","0.07","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C2 H N O1.17 Zn0.67 -","- C2 H N O1.16667 Zn0.666667 -","- C96 H48 N48 O56 Zn32 -","48","1","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.0847","0.0766","","","0.2041","0.2094","","","","","","1.166","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122719","20.1232","0.0001","20.1232","0.0001","20.1232","0.0001","90","","90","","90","","8148.75","0.07","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C2 H N O1.17 Zn0.67 -","- C2 H N O1.16667 Zn0.666667 -","- C96 H48 N48 O56 Zn32 -","48","1","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.0863","0.0769","","","0.1937","0.1995","","","","","","1.178","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122720","20.1198","0.0005","20.1198","0.0005","20.1198","0.0005","90","","90","","90","","8144.6","0.4","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C2 H N O1.17 Zn0.67 -","- C2 H N O1.16667 Zn0.666667 -","- C96 H48 N48 O56 Zn32 -","48","1","","Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei","Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.","Journal of the American Chemical Society","2014","136","41","14465","","10.1021/ja5063423","","","1.54178","CuKα","","0.0569","0.0468","","","0.1312","0.1358","","","","","","1.002","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122721","16.158","0.003","15.794","0.003","16.302","0.003","90","","103.762","0.004","90","","4040.8","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48.34 H33 Cl4.02 D1.34 N O4 -","- C48.338 H33 Cl4.014 D1.338 N O4 -","- C193.352 H132 Cl16.056 D5.352 N4 O16 -","4","1","","Hwang, Jungwun; Li, Ping; Carroll, William R.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Additivity of Substituent Effects in Aromatic Stacking Interactions.","Journal of the American Chemical Society","2014","136","40","14060","","10.1021/ja504378p","","","0.71073","MoKα","","0.118","0.0658","","","0.1564","0.1795","","","","","","0.979","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122722","9.6849","0.0009","11.8004","0.0011","16.09","0.0015","80.08","0.002","80.09","0.002","80.508","0.002","1766.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H30 Cl N O4 -","- C46 H30 Cl N O4 -","- C92 H60 Cl2 N2 O8 -","2","1","","Hwang, Jungwun; Li, Ping; Carroll, William R.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Additivity of Substituent Effects in Aromatic Stacking Interactions.","Journal of the American Chemical Society","2014","136","40","14060","","10.1021/ja504378p","","","0.71073","MoKα","","0.0689","0.0479","","","0.1148","0.1246","","","","","","1","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122723","23.4123","0.0004","9.0701","0.0002","18.5703","0.0003","90","","118.601","0.001","90","","3462.24","0.12","173","2","172.99","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 B O6 -","- C16 H23 B O6 -","- C128 H184 B8 O48 -","8","1","","Ghaffari, Behnaz; Preshlock, Sean M.; Plattner, Donald L.; Staples, Richard J.; Maligres, Peter E.; Krska, Shane W.; Maleczka, Jr, Robert E; Smith, 3rd, Milton R","Silyl Phosphorus and Nitrogen Donor Chelates for Homogeneous Ortho Borylation Catalysis.","Journal of the American Chemical Society","2014","136","41","14345","","10.1021/ja506229s","","","1.54178","CuKα","","0.0701","0.0663","","","0.1903","0.1943","","","","","","1.075","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122724","9.9128","0.0011","10.2416","0.0011","16.4821","0.0018","77.315","0.001","86.765","0.001","69.119","0.001","1524.8","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Ir P Si -","- C34 H44 Ir P Si -","- C68 H88 Ir2 P2 Si2 -","2","1","","Ghaffari, Behnaz; Preshlock, Sean M.; Plattner, Donald L.; Staples, Richard J.; Maligres, Peter E.; Krska, Shane W.; Maleczka, Jr, Robert E; Smith, 3rd, Milton R","Silyl Phosphorus and Nitrogen Donor Chelates for Homogeneous Ortho Borylation Catalysis.","Journal of the American Chemical Society","2014","136","41","14345","","10.1021/ja506229s","","","0.71073","MoKα","","0.0519","0.0395","","","0.0819","0.0884","","","","","","1.06","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122725","25.2024","0.0004","13.7121","0.0002","25.3895","0.0004","90","","116.212","0.0004","90","","7871.8","0.2","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H51 Cl Ge N2 O3 W -","- C40 H51 Cl Ge N2 O3 W -","- C320 H408 Cl8 Ge8 N16 O24 W8 -","8","2","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.0601","0.0516","","","0.1322","0.1404","","","","","","1.12","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122726","16.7596","0.0005","9.4706","0.0003","17.3328","0.0005","90","","95.1602","0.001","90","","2739.97","0.14","140","2","140","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C24 H35 Cl Ge N2 O3 W -","- C24 H35 Cl Ge N2 O3 W -","- C96 H140 Cl4 Ge4 N8 O12 W4 -","4","1","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.068","0.0544","","","0.1272","0.1358","","","","","","1.197","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122727","15.1009","0.0011","8.6137","0.0006","18.7415","0.0013","90","","110.979","0.0014","90","","2276.2","0.3","140","2","140","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H27 Cl Ge N2 O3 W -","- C20 H27 Cl Ge N2 O3 W -","- C80 H108 Cl4 Ge4 N8 O12 W4 -","4","1","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.0795","0.0668","","","0.1564","0.1633","","","","","","1.133","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122728","14.9419","0.0006","18.725","0.0006","26.8623","0.0009","97.183","0.0012","92.0485","0.001","101.438","0.0009","7294.5","0.4","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H63 B F24 Ge N2 O3 W -","- C72 H63 B F24 Ge N2 O3 W -","- C288 H252 B4 F96 Ge4 N8 O12 W4 -","4","2","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.1142","0.0823","","","0.1989","0.2195","","","","","","1.087","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122729","12.8703","0.0004","19.4136","0.0005","27.6906","0.001","94.436","0.0011","94.1879","0.001","98.6647","0.0009","6794.1","0.4","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C130 H109 B2 F51 Ge2 N4 O6 W2 -","- C130 H104 B2 F50 Ge2 N4 O6 W2 -","- C260 H208 B4 F100 Ge4 N8 O12 W4 -","2","1","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.1089","0.0776","","","0.181","0.1982","","","","","","1.086","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122730","12.7478","0.0012","14.3085","0.001","16.6663","0.0012","111.179","0.003","99.6","0.004","93.475","0.003","2770.7","0.4","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C104 H78 B2 F48 Ge2 N4 O6 W2 -","- C104 H78 B2 F48 Ge2 N4 O6 W2 -","- C104 H78 B2 F48 Ge2 N4 O6 W2 -","1","0.5","","Inomata, Koya; Watanabe, Takahito; Tobita, Hiromi","Cationic Metallogermylene and Dicationic Dimetallodigermenes: Synthesis by Chloride Abstraction from N-Heterocyclic Carbene-Stabilized Chlorometallogermylenes.","Journal of the American Chemical Society","2014","136","41","14341","","10.1021/ja506018f","","","0.71073","MoKα","","0.1062","0.0842","","","0.2026","0.2149","","","","","","1.199","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122731","22.7502","0.0009","22.7502","0.0009","22.7502","0.0009","90","","90","","90","","11774.9","0.8","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C168 H144 Fe4 N48 O16 S4 -","- C168 H144 Fe4 N48 -","- C336 H288 Fe8 N96 -","2","0.0833333","","Bolliger, Jeanne L.; Ronson, Tanya K.; Ogawa, Masahiro; Nitschke, Jonathan R.","Solvent Effects upon Guest Binding and Dynamics of a Fe(II)4L4 Cage.","Journal of the American Chemical Society","2014","136","41","14545","","10.1021/ja5077102","","","0.71073","MoKα","","0.0971","0.0802","","","0.213","0.2288","","","","","","1.047","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122732","10.5376","0.0004","11.9462","0.0005","12.0486","0.0005","93.522","0.002","113.425","0.002","94.009","0.002","1381.71","0.1","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","Complex 1","","","- C23 H39 Cl Ir N O5 P -","- C23 H39 Cl Ir N O5 P -","- C46 H78 Cl2 Ir2 N2 O10 P2 -","2","1","","Kita, Matthew R.; Miller, Alexander J. M.","Cation-Modulated Reactivity of Iridium Hydride Pincer-Crown Ether Complexes.","Journal of the American Chemical Society","2014","136","41","14519","","10.1021/ja507324s","","","1.54178","CuKα","","0.038","0.0344","","","0.083","0.0858","","","","","","1.077","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122733","35.8564","0.0005","12.8798","0.0002","26.6812","0.0003","90","","98.0262","0.0006","90","","12201.3","0.3","100.15","","100.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Complex 2","block","","- C55 H51 B F24 Ir N O5 P -","- C55 H51 B F24 Ir N O5 P -","- C440 H408 B8 F192 Ir8 N8 O40 P8 -","8","1","","Kita, Matthew R.; Miller, Alexander J. M.","Cation-Modulated Reactivity of Iridium Hydride Pincer-Crown Ether Complexes.","Journal of the American Chemical Society","2014","136","41","14519","","10.1021/ja507324s","","","1.54178","CuKα","","0.0325","0.0287","","","0.0728","0.0746","","","","","","1.054","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122734","31.574","0.004","17.923","0.002","32.134","0.006","90","","119.365","0.003","90","","15848","4","100","2","100","2","","","","","","","","10","I 1 2/a 1","-I 2ya","15","","","","- C74 H71 Ag Ca Cl3.5 F3 Mn3 N10 O14.5 S -","- C74 H71 Ag Ca Cl3.5 F3 Mn3 N10 O14.5 S -","- C592 H568 Ag8 Ca8 Cl28 F24 Mn24 N80 O116 S8 -","8","1","","Kanady, Jacob S.; Lin, Po-Heng; Carsch, Kurtis M.; Nielsen, Robert J.; Takase, Michael K.; Goddard, 3rd, William A; Agapie, Theodor","Toward Models for the Full Oxygen-Evolving Complex of Photosystem II by Ligand Coordination To Lower the Symmetry of the Mn3CaO4 Cubane: Demonstration That Electronic Effects Facilitate Binding of a Fifth Metal.","Journal of the American Chemical Society","2014","136","41","14373","","10.1021/ja508160x","","","0.71073","MoKα","","0.2258","0.1667","","","0.4213","0.4924","","","","","","2.111","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122735","13.9463","0.0015","16.9456","0.0018","21.456","0.002","101.26","0.003","102.405","0.003","102.535","0.003","4676.1","0.8","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C93.91 H91.19 Ca F3 Mn3 N10 O15.55 S -","- C93.91 H89.186 Ca F3 Mn3 N10 O15.546 S -","- C187.82 H178.372 Ca2 F6 Mn6 N20 O31.092 S2 -","2","1","","Kanady, Jacob S.; Lin, Po-Heng; Carsch, Kurtis M.; Nielsen, Robert J.; Takase, Michael K.; Goddard, 3rd, William A; Agapie, Theodor","Toward Models for the Full Oxygen-Evolving Complex of Photosystem II by Ligand Coordination To Lower the Symmetry of the Mn3CaO4 Cubane: Demonstration That Electronic Effects Facilitate Binding of a Fifth Metal.","Journal of the American Chemical Society","2014","136","41","14373","","10.1021/ja508160x","","","0.71073","MoKα","","0.1404","0.076","","","0.1878","0.2244","","","","","","1.044","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122736","14.8835","0.001","16.1532","0.0011","16.7758","0.0011","88.985","0.003","89.785","0.003","69.483","0.003","3776.7","0.4","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C77 H81 F3 Gd Mn3 N11 O17 S -","- C77 H79 F3 Gd Mn3 N11 O17 S -","- C154 H158 F6 Gd2 Mn6 N22 O34 S2 -","2","1","","Kanady, Jacob S.; Lin, Po-Heng; Carsch, Kurtis M.; Nielsen, Robert J.; Takase, Michael K.; Goddard, 3rd, William A; Agapie, Theodor","Toward Models for the Full Oxygen-Evolving Complex of Photosystem II by Ligand Coordination To Lower the Symmetry of the Mn3CaO4 Cubane: Demonstration That Electronic Effects Facilitate Binding of a Fifth Metal.","Journal of the American Chemical Society","2014","136","41","14373","","10.1021/ja508160x","","","0.71073","MoKα","","0.1131","0.065","","","0.1574","0.1808","","","","","","1.037","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122737","12.0962","0.0005","9.3752","0.0004","20.3554","0.0009","90","","91.582","0.002","90","","2307.51","0.17","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl N4 O6 Re -","- C20 H22 Cl N4 O6 Re -","- C80 H88 Cl4 N16 O24 Re4 -","4","1","","Machan, Charles W.; Chabolla, Steven A.; Yin, Jian; Gilson, Michael K.; Tezcan, F. Akif; Kubiak, Clifford P.","Supramolecular Assembly Promotes the Electrocatalytic Reduction of Carbon Dioxide by Re(I) Bipyridine Catalysts at a Lower Overpotential.","Journal of the American Chemical Society","2014","136","41","14598","","10.1021/ja5085282","","","0.71073","MoKα","","0.0346","0.0257","","","0.0781","0.0893","","","","","","0.712","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122738","24.7255","0.0018","24.7255","0.0018","20.3293","0.0011","90","","90","","120","","10763.2","1.3","110","2","110","2","","","","","","","","8","P 63/m","-P 6c","176","","di(tris(isonicotinoyl)-cyclotriguaiacylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate iodine clathrate","","- C171 H138 B6 F24 I2 N18 O18 Pd3 -","- C171 H138 B6.01 F24.04 I2.01 N18 O18 Pd3 -","- C342 H276 B12.02 F48.08 I4.02 N36 O36 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","1.54184","CuKα","","0.1598","0.1292","","","0.367","0.3991","","","","","","1.687","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122739","25.21","0.0012","25.21","0.0012","20.5293","0.0007","90","","90","","120","","11299.3","0.9","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","di(tris(2-methyl-isonicotinoyl)-cyclotriguaiacylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate","","- C185 H174 B6 F24 N26 O34 Pd3 -","- C177 H150 B6.01 F24.01 N18 O18 Pd3 -","- C354 H300 B12.02 F48.02 N36 O36 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","0.6889","synchrotron","","0.1835","0.1417","","","0.3436","0.3647","","","","","","1.927","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122740","24.736","0.0008","24.736","0.0008","20.0595","0.0007","90","","90","","120","","10629.4","0.6","100","2","100","2","","","","","","","","8","P 63/m","-P 6c","176","","di(tris(isonicotinoyl)-tris(propyl)-cyclotricatechylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate 1,2-dichlorobenzene nitromethane clathrate","","- C206 H189 B6 Cl6 F24 N23 O28 Pd3 -","- C201.99 H177.06 B6.01 Cl6 F24.04 N19 O20.01 Pd3 -","- C403.98 H354.12 B12.02 Cl12 F48.08 N38 O40.02 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","0.6889","synchrotron","","0.1348","0.1233","","","0.3418","0.3488","","","","","","2.594","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122741","24.6118","0.0019","24.6118","0.0019","20.272","0.003","90","","90","","120","","10634","2","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","di(tris(isonicotinoyl)-tris(propyl)-cyclotricatechylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate nitromethane clathrate","","- C191 H186 B6 F24 N26 O34 Pd3 -","- C186.99 H174.03 B6.01 F24.04 N22 O26.01 Pd3 -","- C373.98 H348.06 B12.02 F48.08 N44 O52.02 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","1.54184","CuKα","","0.1162","0.096","","","0.2723","0.2935","","","","","","1.186","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122742","12.2792","0.0003","14.3456","0.0004","20.8758","0.0006","90","","96.321","0.001","90","","3654.97","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(acetonitrile)[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]palladium(II) tetrafluoroborate acetonitrile","","- C35 H33 B2 F8 N7 Pd -","- C35 H33 B2 F8 N7 Pd -","- C140 H132 B8 F32 N28 Pd4 -","4","1","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","0.71073","MoKα","","0.0922","0.0661","","","0.1715","0.1914","","","","","","1.034","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122743","24.6185","0.0014","24.6185","0.0014","20.3337","0.0012","90","","90","","120","","10672.6","1.1","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","di(tris(isonicotinoyl)-cyclotriguaiacylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate nitromethane clathrate","","- C179 H162 B6 F24 N26 O34 Pd3 -","- C174.99 H150.03 B6.01 F24.04 N22 O26.01 Pd3 -","- C349.98 H300.06 B12.02 F48.08 N44 O52.02 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","0.6889","synchrotron","","0.1269","0.1082","","","0.3142","0.3312","","","","","","1.373","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122744","24.7016","0.0008","24.7016","0.0008","20.3905","0.0007","90","","90","","120","","10774.8","0.6","100","2","100","2","","","","","","","","8","P 63/m","-P 6c","176","","di(tris(isonicotinoyl)-cyclotriguaiacylene} tri[1,1'-methylenebis(3-(naphthalen-2-ylmethyl)- imidazol-2-ylidene)]tripalladium(II) tetrafluoroborate iodine clathrate","","- C171 H147 B6 F24 I6 N18 O22.5 Pd3 -","- C171 H138 B6.01 F24.04 I6.07 N18 O22.5 Pd3 -","- C342 H276 B12.02 F48.08 I12.14 N36 O45 Pd6 -","2","0.166667","","Henkelis, James J.; Carruthers, Christopher J.; Chambers, Scott E.; Clowes, Rob; Cooper, Andrew I.; Fisher, Julie; Hardie, Michaele J.","Metallo-cryptophanes decorated with bis-N-heterocyclic carbene ligands: self-assembly and guest uptake into a nonporous crystalline lattice.","Journal of the American Chemical Society","2014","136","41","14393","14396","10.1021/ja508502u","","","1.54184","CuKα","","0.1843","0.1468","","","0.3884","0.4234","","","","","","1.761","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122745","10.9396","0.0006","10.9396","0.0006","14.064","0.0011","90","","90","","90","","1683.11","0.19","223","","223","","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C34 H20 N2 O8 Zn2 -","- C34 H8 N2 O8 Zn2 -","- C34 H8 N2 O8 Zn2 -","1","0.0625","","Hirai, Kenji; Reboul, Julien; Morone, Nobuhiro; Heuser, John E.; Furukawa, Shuhei; Kitagawa, Susumu","Diffusion-coupled molecular assembly: structuring of coordination polymers across multiple length scales.","Journal of the American Chemical Society","2014","136","42","14966","14973","10.1021/ja507971r","","","0.7107","MoKα","","","0.0692","","","","0.2315","","","","","","1.158","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122746","9.923","0.016","19.1","0.03","14.33","0.03","90","","90","","90","","2716","8","93","","93","","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C56 H34 N4 O16 Zn4 -","- C55.9952 N4 O16 Zn4 -","- C111.99 N8 O32 Zn8 -","2","0.125","","Hirai, Kenji; Reboul, Julien; Morone, Nobuhiro; Heuser, John E.; Furukawa, Shuhei; Kitagawa, Susumu","Diffusion-coupled molecular assembly: structuring of coordination polymers across multiple length scales.","Journal of the American Chemical Society","2014","136","42","14966","14973","10.1021/ja507971r","","","0.71075","MoKα","","","0.1428","","","","0.3874","","","","","","1.333","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122747","10.887","0.003","10.923","0.003","14.068","0.004","89.214","0.008","87.59","0.007","79.816","0.008","1645.1","0.8","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N3 O9 Zn2 -","- C31 H8 N3 O9 Zn2 -","- C62 H16 N6 O18 Zn4 -","2","1","","Hirai, Kenji; Reboul, Julien; Morone, Nobuhiro; Heuser, John E.; Furukawa, Shuhei; Kitagawa, Susumu","Diffusion-coupled molecular assembly: structuring of coordination polymers across multiple length scales.","Journal of the American Chemical Society","2014","136","42","14966","14973","10.1021/ja507971r","","","0.71075","MoKα","","","0.0512","","","","0.1835","","","","","","1.098","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122748","10.135","0.004","19.904","0.008","28.122","0.012","90","","98.474","0.009","90","","5611","4","296","2","296","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39 H42 B2 F8 Fe2 N2 O4 P2 S2 -","- C39 H42 B2 F8 Fe2 N2 O4 P2 S2 -","- C156 H168 B8 F32 Fe8 N8 O16 P8 S8 -","4","1","","Zheng, Dehua; Wang, Ning; Wang, Mei; Ding, Shengda; Ma, Chengbing; Darensbourg, Marcetta Y.; Hall, Michael B.; Sun, Licheng","Intramolecular Iron-Mediated C-H Bond Heterolysis with an Assist of Pendant Base in a [FeFe]-Hydrogenase Model.","Journal of the American Chemical Society","2014","","","141007112505006","","10.1021/ja5078014","","x-ray","0.71073","MoKα","","0.236","0.0904","","","0.166","0.2199","","","","","","0.996","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122749","12.7976","0.0013","13.3807","0.0013","13.8252","0.0014","96.816","0.002","106.05","0.002","117.22","0.002","1938.2","0.3","296","2","296","2","","","","","","","","10","P 1","P 1","1","","","","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","- C72 H55 B Cl2 F24 Fe2 N2 O4 P2 S2 -","1","1","","Zheng, Dehua; Wang, Ning; Wang, Mei; Ding, Shengda; Ma, Chengbing; Darensbourg, Marcetta Y.; Hall, Michael B.; Sun, Licheng","Intramolecular Iron-Mediated C-H Bond Heterolysis with an Assist of Pendant Base in a [FeFe]-Hydrogenase Model.","Journal of the American Chemical Society","2014","","","141007112505006","","10.1021/ja5078014","","","0.71073","MoKα","","0.0508","0.0434","","","0.1133","0.1203","","","","","","1.073","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122750","14.5288","0.0005","12.6354","0.0004","17.3422","0.0006","90","","113.921","0.002","90","","2910.18","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Fe2 O4 P2 S2 -","- C26 H30 Fe2 O4 P2 S2 -","- C104 H120 Fe8 O16 P8 S8 -","4","1","","Zheng, Dehua; Wang, Ning; Wang, Mei; Ding, Shengda; Ma, Chengbing; Darensbourg, Marcetta Y.; Hall, Michael B.; Sun, Licheng","Intramolecular Iron-Mediated C-H Bond Heterolysis with an Assist of Pendant Base in a [FeFe]-Hydrogenase Model.","Journal of the American Chemical Society","2014","","","141007112505006","","10.1021/ja5078014","","","0.71073","MoKα","","0.0357","0.0275","","","0.0764","0.0812","","","","","","1.059","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122751","18.1015","0.0009","18.1158","0.0009","23.999","0.0012","90","","90","","90","","7869.8","0.7","110","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H42 Fe2 N2 O4 P2 S2 -","- C39 H42 Fe2 N2 O4 P2 S2 -","- C312 H336 Fe16 N16 O32 P16 S16 -","8","1","","Zheng, Dehua; Wang, Ning; Wang, Mei; Ding, Shengda; Ma, Chengbing; Darensbourg, Marcetta Y.; Hall, Michael B.; Sun, Licheng","Intramolecular Iron-Mediated C-H Bond Heterolysis with an Assist of Pendant Base in a [FeFe]-Hydrogenase Model.","Journal of the American Chemical Society","2014","","","141007112505006","","10.1021/ja5078014","","x-ray","0.71073","MoKα","","0.102","0.0472","","","0.0937","0.1122","","","","","","0.991","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122752","17.8314","0.0007","17.0079","0.0007","20.8227","0.0008","90","","114.012","0.002","90","","5768.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H77 B Co N6 O -","- C70 H77 B Co N6 O -","- C280 H308 B4 Co4 N24 O4 -","4","1","","Zolnhofer, Eva M.; Käß, Martina; Khusniyarov, Marat M.; Heinemann, Frank W.; Maron, Laurent; van Gastel, Maurice; Bill, Eckhard; Meyer, Karsten","An Intermediate Cobalt(IV) Nitrido Complex and its N-Migratory Insertion Product.","Journal of the American Chemical Society","2014","136","42","15072","15078","10.1021/ja508144j","","","1.54178","CuKα","","0.0669","0.0486","","","0.1159","0.1258","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122753","19.0807","0.0018","42.12","0.005","22.668","0.002","90","","90","","90","","18218","3","120","2","120","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C50 H65.25 Cl Co N5.94 O2.16 -","- C50 H65.257 Cl Co N5.937 O2.159 -","- C800 H1044.11 Cl16 Co16 N94.992 O34.544 -","16","1","","Zolnhofer, Eva M.; Käß, Martina; Khusniyarov, Marat M.; Heinemann, Frank W.; Maron, Laurent; van Gastel, Maurice; Bill, Eckhard; Meyer, Karsten","An Intermediate Cobalt(IV) Nitrido Complex and its N-Migratory Insertion Product.","Journal of the American Chemical Society","2014","136","42","15072","15078","10.1021/ja508144j","","","0.71073","MoKα","","0.0948","0.0584","","","0.1106","0.1164","","","","","","1.639","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122754","13.421","0.002","21.477","0.003","17.353","0.002","90","","96.674","0.003","90","","4968","1.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H62 Cs F N6 O5 -","- C53 H62 Cs F N6 O5 -","- C212 H248 Cs4 F4 N24 O20 -","4","1","","Kim, Sung Kuk; Lee, Juhoon; Williams, Neil J.; Lynch, Vincent M.; Hay, Benjamin P.; Moyer, Bruce A.; Sessler, Jonathan L.","Bipyrrole-Strapped Calix[4]pyrroles: Strong Anion Receptors That Extract the Sulfate Anion.","Journal of the American Chemical Society","2014","136","42","15079","15085","10.1021/ja5086996","","","0.71075","MoKα","","0.0783","0.0524","","","0.1076","0.1182","","","","","","1.073","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122755","24.031","0.003","20.452","0.002","24.097","0.002","90","","112.993","0.004","90","","10902","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H78 Cl N7 O4 -","- C60 H78 Cl N7 O4 -","- C480 H624 Cl8 N56 O32 -","8","2","","Kim, Sung Kuk; Lee, Juhoon; Williams, Neil J.; Lynch, Vincent M.; Hay, Benjamin P.; Moyer, Bruce A.; Sessler, Jonathan L.","Bipyrrole-Strapped Calix[4]pyrroles: Strong Anion Receptors That Extract the Sulfate Anion.","Journal of the American Chemical Society","2014","136","42","15079","15085","10.1021/ja5086996","","","0.71075","MoKα","","0.1449","0.0712","","","0.1432","0.1893","","","","","","1.046","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122756","11.318","0.002","23.919","0.003","25.502","0.004","90","","95.086","0.003","90","","6876.6","1.8","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H97 Cl3 N8 O12 S -","- C64 H95 Cl3 N8 O12 S -","- C256 H380 Cl12 N32 O48 S4 -","4","1","","Kim, Sung Kuk; Lee, Juhoon; Williams, Neil J.; Lynch, Vincent M.; Hay, Benjamin P.; Moyer, Bruce A.; Sessler, Jonathan L.","Bipyrrole-Strapped Calix[4]pyrroles: Strong Anion Receptors That Extract the Sulfate Anion.","Journal of the American Chemical Society","2014","136","42","15079","15085","10.1021/ja5086996","","","0.71075","MoKα","","0.2094","0.0948","","","0.2155","0.2715","","","","","","1.038","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122757","13.6765","0.0017","14.0933","0.0019","14.6861","0.0018","101.957","0.006","113.378","0.005","92.43","0.006","2517.4","0.6","193","2","193","2","","","","","","","","11","P -1","-P 1","2","","","","- C36 H39 Au B10 Cl4 F6 I N O4 P2 S2 -","- C36 H39 Au B10 Cl4 F6 I N O4 P2 S2 -","- C72 H78 Au2 B20 Cl8 F12 I2 N2 O8 P4 S4 -","2","1","","Joost, Maximilian; Zeineddine, Abdallah; Estévez, Laura; Mallet Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Facile oxidative addition of aryl iodides to gold(i) by ligand design: bending turns on reactivity.","Journal of the American Chemical Society","2014","136","42","14654","14657","10.1021/ja506978c","","x-ray","0.71073","MoKα","","0.1196","0.0619","","","0.1554","0.2278","","","","","","1.083","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122758","12.6158","0.0004","24.9363","0.0008","17.8759","0.0006","90","","105.403","0.001","90","","5421.6","0.3","193","2","193","2","","","","","","","synthesis as described","11","P 1 21/n 1","-P 2yn","14","","","","- C33 H59 Au B10 Cl4 F6 I N5 O4 P2 S2 -","- C33 H59 Au B10 Cl4 F6 I N5 O4 P2 S2 -","- C132 H236 Au4 B40 Cl16 F24 I4 N20 O16 P8 S8 -","4","1","","Joost, Maximilian; Zeineddine, Abdallah; Estévez, Laura; Mallet Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Facile oxidative addition of aryl iodides to gold(i) by ligand design: bending turns on reactivity.","Journal of the American Chemical Society","2014","136","42","14654","14657","10.1021/ja506978c","","x-ray","0.71073","MoKα","","0.0736","0.0385","","","0.0786","0.0925","","","","","","1.022","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122759","16.8086","0.0008","13.3678","0.0006","19.1005","0.0009","90","","103.857","0.002","90","","4166.9","0.3","193","2","193","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C21 H48 Au B10 Cl2 F6 N5 O4 P2 S2 -","- C21 H48 Au B10 Cl2 F6 N5 O4 P2 S2 -","- C84 H192 Au4 B40 Cl8 F24 N20 O16 P8 S8 -","4","1","","Joost, Maximilian; Zeineddine, Abdallah; Estévez, Laura; Mallet Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Facile oxidative addition of aryl iodides to gold(i) by ligand design: bending turns on reactivity.","Journal of the American Chemical Society","2014","136","42","14654","14657","10.1021/ja506978c","","","0.71073","MoKα","","0.0557","0.0306","","","0.0609","0.0674","","","","","","1.017","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122760","13.6536","0.0004","17.8161","0.0005","37.5266","0.001","90","","90","","90","","9128.5","0.4","193","2","193","2","","","","","","","synthesis as described","11","C 2 2 21","C 2c 2","20","","","","- C51 H102 Au2 B20 Cl2 F12 I2 N12 O8 P4 S4 -","- C51 H102 Au2 B20 Cl2 F12 I2 N12 O8 P4 S4 -","- C204 H408 Au8 B80 Cl8 F48 I8 N48 O32 P16 S16 -","4","0.5","","Joost, Maximilian; Zeineddine, Abdallah; Estévez, Laura; Mallet Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Facile oxidative addition of aryl iodides to gold(i) by ligand design: bending turns on reactivity.","Journal of the American Chemical Society","2014","136","42","14654","14657","10.1021/ja506978c","","x-ray","0.71073","MoKα","","0.0446","0.0331","","","0.0665","0.0783","","","","","","1.082","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122761","43.3","0.001","43.3","0.001","43.3","0.001","90","","90","","90","","81183","3","293","2","293","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C150 H168 Ag6 Cl12 F36 N24 P6 S6 -","- C144 H156 Ag6 F35.96 N24 P6 S6 -","- C2304 H2496 Ag96 F575.36 N384 P96 S96 -","16","0.166667","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0784","0.0501","","","0.1163","0.1339","","","","","","1.064","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122762","43.025","0.002","43.025","0.002","43.025","0.002","90","","90","","90","","79646","6","293","2","293","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C183 H204 Ag6 F36 N24 O6 P6 S6 -","- C162 H156 Ag6 F35.96 N24 P6 S6 -","- C2592 H2496 Ag96 F575.36 N384 P96 S96 -","16","0.166667","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0661","0.0419","","","0.1063","0.1178","","","","","","1.007","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122763","43.087","0.002","43.087","0.002","43.087","0.002","90","","90","","90","","79991","6","293","2","293","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- C180 H234 Ag6 F42 N24 O12 P6 S6 -","- C137.64 H137.76 Ag6 F41.9 N24 P6 S6 -","- C2202.24 H2204.16 Ag96 F670.4 N384 P96 S96 -","16","0.166667","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0955","0.0466","","","0.0903","0.1021","","","","","","1.007","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122764","42.95","0.003","42.95","0.003","42.95","0.003","90","","90","","90","","79230","10","293","2","293","2","","","","","","","","9","F d -3 :2","-F 2uv 2vw 3","203","","","","- C156 H180 Ag6 Cl24 F36 N24 O6 P6 S6 -","- C144 H156 Ag6 F35.96 N24 O6 P6 S6 -","- C2304 H2496 Ag96 F575.36 N384 O96 P96 S96 -","16","0.166667","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.1093","0.0773","","","0.2156","0.2453","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122765","11.708","0.001","15.342","0.001","34.461","0.002","90","","90","","90","","6190","0.8","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H25 Ag Cl2 F4 N4 O3 S2 -","- C25 H25 Ag Cl2 F4 N4 O3 S2 -","- C200 H200 Ag8 Cl16 F32 N32 O24 S16 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0616","0.0462","","","0.1288","0.141","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122766","30.542","0.007","22.961","0.005","24.166","0.005","90","","131.839","0.003","90","","12626","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H64 Ag2 F6 N8 O7.5 S4 -","- C56 H64 Ag2 F6 N8 O7.5 S4 -","- C448 H512 Ag16 F48 N64 O60 S32 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.1265","0.0532","","","0.1217","0.1488","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122767","22.444","0.001","20.464","0.001","28.423","0.001","90","","90","","90","","13054.5","1","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H56 Ag2 Cl4 F6 N8 O6 S4 -","- C58 H56 Ag2 Cl4 F6 N8 O6 S4 -","- C464 H448 Ag16 Cl32 F48 N64 O48 S32 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.1354","0.0515","","","0.0834","0.0969","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122768","22.553","0.003","12.525","0.001","20.818","0.002","90","","90","","90","","5880.6","1.1","293","2","293","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C49 H54 Ag2 Cl2 F12 N8 O2 P2 S2 -","- C49 H54 Ag2 Cl2 F12 N8 O2 P2 S2 -","- C196 H216 Ag8 Cl8 F48 N32 O8 P8 S8 -","4","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0795","0.0411","","","0.0425","0.0467","","","","","","1.001","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122769","22.726","0.009","13.108","0.005","20.763","0.007","90","","90","","90","","6185","4","293","2","293","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C51 H54 Ag2 Cl2 F6 N8 O8 S4 -","- C51 H54 Ag2 Cl2 F6 N8 O8 S4 -","- C204 H216 Ag8 Cl8 F24 N32 O32 S16 -","4","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0647","0.0401","","","0.0865","0.0944","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122770","23.758","0.002","23.758","0.002","22.318","0.002","90","","90","","90","","12597.2","1.9","293","2","293","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C26.5 H31.5 Ag F6 N4 O0.75 P S -","- C26.5 H29 Ag F6 N4 O0.75 P S -","- C424 H464 Ag16 F96 N64 O12 P16 S16 -","16","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0616","0.042","","","0.1091","0.1215","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122771","21.775","0.001","21.08","0.001","27.323","0.002","90","","90","","90","","12541.7","1.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H54.5 Ag2 F6 N8 O6.25 S4 -","- C51 H54.5 Ag2 F6 N8 O6.25 S4 -","- C408 H436 Ag16 F48 N64 O50 S32 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.1343","0.0555","","","0.1049","0.1258","","","","","","1.003","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122772","16.1996","0.0007","8.8498","0.0004","13.0994","0.0005","90","","103.144","0.001","90","","1828.77","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0708","0.0448","","","0.1164","0.1322","","","","","","1.051","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122773","16.2248","0.001","8.8585","0.0005","13.0907","0.0008","90","","103.194","0.001","90","","1831.83","0.19","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0751","0.0482","","","0.1287","0.1436","","","","","","1.079","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122774","14.1437","0.001","10.7763","0.0008","12.2759","0.0009","90","","92.9231","0.001","90","","1868.6","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 Be O4 -","- C26 H14 Be O4 -","- C104 H56 Be4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0987","0.0494","","","0.116","0.138","","","","","","1.004","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122775","16.2127","0.0007","8.8624","0.0004","13.0931","0.0006","90","","103.167","0.001","90","","1831.8","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0757","0.0469","","","0.1201","0.1361","","","","","","1.054","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122776","16.3111","0.0012","8.8173","0.0006","13.0729","0.001","90","","103.499","0.001","90","","1828.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0809","0.0485","","","0.1215","0.1373","","","","","","1.046","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122777","16.2217","0.0005","8.8531","0.0003","13.0922","0.0004","90","","103.187","0.001","90","","1830.62","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0531","0.0434","","","0.1264","0.1362","","","","","","1.062","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122778","16.3914","0.0003","8.7861","0.0002","13.0587","0.0003","90","","103.74","0.001","90","","1826.85","0.07","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0618","0.0459","","","0.1358","0.1497","","","","","","1.026","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122779","16.2312","0.001","8.8458","0.0005","13.0948","0.0008","90","","103.209","0.001","90","","1830.38","0.19","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0727","0.0474","","","0.1234","0.1399","","","","","","1.035","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122780","16.0323","0.0006","8.9644","0.0003","13.1066","0.0005","90","","102.599","0.002","90","","1838.32","0.12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0781","0.0438","","","0.1153","0.133","","","","","","1.031","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122781","16.1858","0.0008","8.8633","0.0004","13.1029","0.0007","90","","103.117","0.001","90","","1830.69","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B O4 -","- C26 H14 B O4 -","- C104 H56 B4 O16 -","4","0.5","","Pal, Sushanta K.; Bag, Pradip; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.","Enhanced Electrical Conductivity in a Substitutionally Doped Spiro-bis(phenalenyl)boron Radical Molecular Solid.","Journal of the American Chemical Society","2014","136","42","14738","14741","10.1021/ja508903z","","","0.71073","MoKα","","0.0713","0.047","","","0.1275","0.1444","","","","","","1.038","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122782","25.1101","0.0003","11.0118","0.0002","19.2265","0.0001","90","","90","","90","","5316.27","0.12","100","2","100.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H56 F18 Ir2 N7 P3 -","- C46 H56 F18 Ir2 N7 P3 -","- C184 H224 F72 Ir8 N28 P12 -","4","1","","Barrett, Seth M.; Pitman, Catherine L.; Walden, Andrew G.; Miller, Alexander J. M.","Photoswitchable hydride transfer from iridium to 1-methylnicotinamide rationalized by thermochemical cycles.","Journal of the American Chemical Society","2014","136","42","14718","14721","10.1021/ja508762g","","","1.54178","CuKα","","0.0441","0.0401","","","0.0942","0.0967","","","","","","1.046","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122783","11.2341","0.0004","5.9399","0.0002","13.0778","0.0004","90","","97.744","0.002","90","","864.72","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 Br Cl O4 -","- C18 H18 Br Cl O4 -","- C36 H36 Br2 Cl2 O8 -","2","1","","Goodman, C. Guy; Johnson, Jeffrey S.","Dynamic Kinetic Asymmetric Cross-Benzoin Additions of β-Stereogenic α-Keto Esters.","Journal of the American Chemical Society","2014","136","42","14698","14701","10.1021/ja508521a","","","1.54178","CuKα","","0.0282","0.0259","","","0.0603","0.0611","","","","","","1.046","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122784","11.75","0.003","10.503","0.002","22.465","0.005","90","","105.16","","90","","2675.9","1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(POCOP)Rh(Na)(SPh)","","","- C24 H36 Na O2 P2 Rh S -","- C24 H36 Na O2 P2 Rh S -","- C96 H144 Na4 O8 P8 Rh4 S4 -","4","1","","Timpa, Samuel D.; Pell, Christopher J.; Ozerov, Oleg V.","A Well-Defined (POCOP)Rh Catalyst for the Coupling of Aryl Halides with Thiols.","Journal of the American Chemical Society","2014","136","42","14772","14779","10.1021/ja505576g","","","0.71073","MoKα","","0.0365","0.0291","","","0.0591","0.0612","","","","","","0.962","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122785","7.971","0.002","10.293","0.003","16.739","0.005","104.378","0.003","97.568","0.003","91.94","0.003","1315.6","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","(POCOP)Rh(H)(SPh)","","","- C24 H36 O2 P2 Rh S -","- C24 H36 O2 P2 Rh S -","- C48 H72 O4 P4 Rh2 S2 -","2","1","","Timpa, Samuel D.; Pell, Christopher J.; Ozerov, Oleg V.","A Well-Defined (POCOP)Rh Catalyst for the Coupling of Aryl Halides with Thiols.","Journal of the American Chemical Society","2014","136","42","14772","14779","10.1021/ja505576g","","","0.71073","MoKα","","0.0922","0.087","","","0.2382","0.24","","","","","","1.23","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122786","11.742","0.002","21.333","0.004","12.042","0.002","90","","100.23","0.002","90","","2968.5","0.9","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(POCOP)Rh(SPh2)","","","- C30 H41 O2 P2 Rh S -","- C30 H41 O2 P2 Rh S -","- C120 H164 O8 P8 Rh4 S4 -","4","1","","Timpa, Samuel D.; Pell, Christopher J.; Ozerov, Oleg V.","A Well-Defined (POCOP)Rh Catalyst for the Coupling of Aryl Halides with Thiols.","Journal of the American Chemical Society","2014","136","42","14772","14779","10.1021/ja505576g","","","0.71073","MoKα","","0.0385","0.032","","","0.0865","0.0897","","","","","","0.963","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122787","11.492","0.003","32.514","0.008","16.267","0.004","90","","92.333","0.003","90","","6073","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(POCOP)Rh(Ph)(SPh)","","","- C30 H41 O2 P2 Rh S -","- C30 H41 O2 P2 Rh S -","- C240 H328 O16 P16 Rh8 S8 -","8","2","","Timpa, Samuel D.; Pell, Christopher J.; Ozerov, Oleg V.","A Well-Defined (POCOP)Rh Catalyst for the Coupling of Aryl Halides with Thiols.","Journal of the American Chemical Society","2014","136","42","14772","14779","10.1021/ja505576g","","","0.71073","MoKα","","0.1068","0.0461","","","0.0641","0.0755","","","","","","0.784","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122788","18.8758","0.001","20.3394","0.0013","13.1067","0.0008","90","","104.883","0.003","90","","4863.1","0.5","100","2","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H94 F36 N16 P6 -","- C82 H94 F36 N16 P6 -","- C164 H188 F72 N32 P12 -","2","0.5","","Cheng, Chuyang; McGonigal, Paul R.; Liu, Wei-Guang; Li, Hao; Vermeulen, Nicolaas A.; Ke, Chenfeng; Frasconi, Marco; Stern, Charlotte L.; Goddard Iii, William A.; Stoddart, J. Fraser","Energetically demanding transport in a supramolecular assembly.","Journal of the American Chemical Society","2014","136","42","14702","14705","10.1021/ja508615f","","","1.54178","CuKα","","0.0744","0.0696","","","0.187","0.1898","","","","","","1.123","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122789","10.4419","0.0019","11.239","0.002","13.655","0.003","84.562","0.004","85.982","0.003","75.605","0.003","1543.4","0.5","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 F3 N2 O2 Rh -","- C36 H34 F3 N2 O2 Rh -","- C72 H68 F6 N4 O4 Rh2 -","2","1","","O'Reilly, Matthew E; Fu, Ross; Nielsen, Robert J.; Sabat, Michal; Goddard, 3rd, William A; Gunnoe, T. Brent","Long-Range C-H Bond Activation by Rh(III)-Carboxylates.","Journal of the American Chemical Society","2014","136","42","14690","14693","10.1021/ja508367m","","","0.71073","MoKα","","0.0278","0.0229","","","0.0482","0.05","","","","","","1.04","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122790","11.2149","0.0009","15.3785","0.0012","15.982","0.0011","91.046","0.006","93.877","0.007","98.227","0.007","2720.7","0.4","200","","200","","","","","","","","","5","P -1","-P 1","2","","[{(t-BuC6H4)3CCONH](n-BuCONH)C6H3COO}2Mg(H2O)4]-5(dioxane)-2H2O","","- C108 H158 Mg N4 O24 -","- C108 H158 Mg N4 O24 -","- C108 H158 Mg N4 O24 -","1","0.5","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Regulation of the Hydrolytic Activity of Mg(2+)-Dependent Phosphatase Models by Intramolecular NH···O Hydrogen Bonds.","Journal of the American Chemical Society","2014","136","42","14639","14641","10.1021/ja509006x","","","0.71075","MoKα","","0.0901","0.0714","","","0.1861","0.1997","","","","","","1.038","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122791","11.074","0.003","16.485","0.005","28.872","0.009","84.653","0.006","85.433","0.006","81.963","0.006","5184","3","200","","200","","","","","","","","","5","P -1","-P 1","2","","[{(t-BuC6H4)3CCONHC6H4COO}2Mg(H2O)4]-7(dioxane)","","- C106 H152 Mg N2 O24 -","- C106 H152 Mg N2 O24 -","- C212 H304 Mg2 N4 O48 -","2","1","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Regulation of the Hydrolytic Activity of Mg(2+)-Dependent Phosphatase Models by Intramolecular NH···O Hydrogen Bonds.","Journal of the American Chemical Society","2014","136","42","14639","14641","10.1021/ja509006x","","","0.71075","MoKα","","0.213","0.0814","","","0.1681","0.2129","","","","","","1.005","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122792","26.9772","0.0018","25.2813","0.0005","16.7103","0.0003","90","","90","","90","","11396.7","0.8","200","","200","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[{[(t-BuC6H4)3CCONH](n-BuCONH)C6H4COO}2Zn(H2O)4]-6(dioxane)","","- C112 H162 N4 O24 Zn -","- C112 H162 N4 O24 Zn -","- C448 H648 N16 O96 Zn4 -","4","0.5","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Regulation of the Hydrolytic Activity of Mg(2+)-Dependent Phosphatase Models by Intramolecular NH···O Hydrogen Bonds.","Journal of the American Chemical Society","2014","136","42","14639","14641","10.1021/ja509006x","","","0.71075","MoKα","","0.0836","0.0599","","","0.1473","0.1614","","","","","","1.018","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122793","11.0889","0.0012","14.4891","0.0016","16.502","0.002","84.685","0.006","82.201","0.006","85.359","0.006","2609.2","0.5","200","","200","","","","","","","","","5","P -1","-P 1","2","","[Zn(H2O)4{O2CC6H4NHCOC(C6H4-t-Bu)3}2]-7(dioxane)","","- C106 H152 N2 O24 Zn -","- C106 H152 N2 O24 Zn -","- C106 H152 N2 O24 Zn -","1","0.5","","Okamura, Taka-Aki; Furuya, Ryosuke; Onitsuka, Kiyotaka","Regulation of the Hydrolytic Activity of Mg(2+)-Dependent Phosphatase Models by Intramolecular NH···O Hydrogen Bonds.","Journal of the American Chemical Society","2014","136","42","14639","14641","10.1021/ja509006x","","","0.71075","MoKα","","0.2576","0.0846","","","0.1152","0.1484","","","","","","0.945","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122794","23.344","0.0015","14.6417","0.0009","15.9048","0.001","90","","102.03","0.004","90","","5316.8","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","PMIdimer1","","- C69 H53 Cl3 N2 O6 -","- C69 H53 Cl3 N2 O6 -","- C276 H212 Cl12 N8 O24 -","4","1","","Lindquist, Rebecca J.; Lefler, Kelly M.; Brown, Kristen E.; Dyar, Scott M.; Margulies, Eric A.; Young, Ryan M.; Wasielewski, Michael R.","Energy Flow Dynamics within Cofacial and Slip-Stacked Perylene-3,4-dicarboximide Dimer Models of π-Aggregates.","Journal of the American Chemical Society","2014","136","42","14912","14923","10.1021/ja507653p","","","1.54178","CuKα","","0.2039","0.1517","","","0.3748","0.4083","","","","","","1.394","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122795","17.3715","0.0012","21.011","0.0015","21.0234","0.0014","73.849","0.005","71.103","0.005","69.341","0.005","6675.5","0.8","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","","","- C80.88 H59.38 Cl4.12 N2 O5.5 -","- C80.875 H59.375 Cl4.125 N2 O5.5 -","- C323.5 H237.5 Cl16.5 N8 O22 -","4","2","","Lindquist, Rebecca J.; Lefler, Kelly M.; Brown, Kristen E.; Dyar, Scott M.; Margulies, Eric A.; Young, Ryan M.; Wasielewski, Michael R.","Energy Flow Dynamics within Cofacial and Slip-Stacked Perylene-3,4-dicarboximide Dimer Models of π-Aggregates.","Journal of the American Chemical Society","2014","136","42","14912","14923","10.1021/ja507653p","","","1.54178","CuKα","","0.1568","0.0963","","","0.2415","0.2686","","","","","","1.001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122796","11.815","0.005","9.296","0.005","11.952","0.006","90","","110.06","0.02","90","","1233.1","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H38 N2 O5 -","- C25 H38 N2 O5 -","- C50 H76 N4 O10 -","2","1","","Giuliano, Michael W.; Maynard, Stacy J.; Almeida, Aaron M.; Guo, Li; Guzei, Ilia A.; Spencer, Lara C.; Gellman, Samuel H.","A γ-Amino Acid That Favors 12/10-Helical Secondary Structure in α/γ-Peptides.","Journal of the American Chemical Society","2014","136","42","15046","15053","10.1021/ja5076585","","","1.54178","CuKα","","0.0288","0.0283","","","0.072","0.0724","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122797","13.8249","0.0011","16.1166","0.0011","17.3628","0.0017","90","","90","","90","","3868.6","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 N4 O7 -","- C38 H60 N4 O7 -","- C152 H240 N16 O28 -","4","1","","Giuliano, Michael W.; Maynard, Stacy J.; Almeida, Aaron M.; Guo, Li; Guzei, Ilia A.; Spencer, Lara C.; Gellman, Samuel H.","A γ-Amino Acid That Favors 12/10-Helical Secondary Structure in α/γ-Peptides.","Journal of the American Chemical Society","2014","136","42","15046","15053","10.1021/ja5076585","","","1.54178","CuKα","","0.0285","0.0282","","","0.0732","0.0735","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122798","8.0074","0.0003","11.6089","0.0006","13.7965","0.0008","86.976","0.004","78.153","0.004","73.826","0.004","1205.47","0.11","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 N3 O6 S -","- C25 H29 N3 O6 S -","- C50 H58 N6 O12 S2 -","2","1","","Wagnières, Olivier; Xu, Zhengren; Wang, Qian; Zhu, Jieping","Unified strategy to monoterpene indole alkaloids: total syntheses of (±)-goniomitine, (±)-1,2-dehydroaspidospermidine, (±)-aspidospermidine, (±)-vincadifformine, and (±)-kopsihainanine a.","Journal of the American Chemical Society","2014","136","42","15102","15108","10.1021/ja509329x","","","1.54178","CuKα","","0.0385","0.037","","","0.0963","0.0977","","","","","","1.03","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122799","7.6082","0.0004","5.8948","0.0003","28.6991","0.0015","90","","93.583","0.003","90","","1284.6","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 B N -","- C18 H14 B N -","- C72 H56 B4 N4 -","4","1","","Ishibashi, Jacob S. A.; Marshall, Jonathan L.; Mazière, Audrey; Lovinger, Gabriel J.; Li, Bo; Zakharov, Lev N.; Dargelos, Alain; Graciaa, Alain; Chrostowska, Anna; Liu, Shih-Yuan","Two BN Isosteres of Anthracene: Synthesis and Characterization.","Journal of the American Chemical Society","2014","136","43","15414","15421","10.1021/ja508813v","","","1.54178","CuKα","","0.0666","0.0616","","","0.1449","0.1485","","","","","","1.103","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122800","10.982","0.003","40.431","0.01","8.0776","0.0018","90","","132.593","0.004","90","","2640.4","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H27 B N2 -","- C36 H27 B N2 -","- C144 H108 B4 N8 -","4","1","","Ishibashi, Jacob S. A.; Marshall, Jonathan L.; Mazière, Audrey; Lovinger, Gabriel J.; Li, Bo; Zakharov, Lev N.; Dargelos, Alain; Graciaa, Alain; Chrostowska, Anna; Liu, Shih-Yuan","Two BN Isosteres of Anthracene: Synthesis and Characterization.","Journal of the American Chemical Society","2014","136","43","15414","15421","10.1021/ja508813v","","","0.71073","MoKα","","0.0507","0.0418","","","0.0924","0.0974","","","","","","1.017","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122801","18.884","0.012","10.814","0.007","27.811","0.018","90","","90.185","0.01","90","","5679","6","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 F3 N2 O3 P3 S -","- C21 H40 F3 N2 O3 P3 S -","- C168 H320 F24 N16 O24 P24 S8 -","8","2","","Robertson, Alasdair P. M.; Dyker, C. Adam; Gray, Paul A.; Patrick, Brian O.; Decken, Andreas; Burford, Neil","Diverse Reactivity of the cyclo-Diphosphinophosphonium Cation [(PtBu)3Me](+): Parallels with Epoxides and New catena-Phosphorus Frameworks.","Journal of the American Chemical Society","2014","136","42","14941","14950","10.1021/ja507741s","","x-ray","0.71073","MoKα","","0.0449","0.0399","","","0.0929","0.0953","","","","","","1.071","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122802","11.385","0.006","14.133","0.007","17.412","0.008","90","","100.007","0.008","90","","2759","2","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 F6 O6 P4 S2 -","- C14 H30 F6 O6 P4 S2 -","- C56 H120 F24 O24 P16 S8 -","4","1","","Robertson, Alasdair P. M.; Dyker, C. Adam; Gray, Paul A.; Patrick, Brian O.; Decken, Andreas; Burford, Neil","Diverse Reactivity of the cyclo-Diphosphinophosphonium Cation [(PtBu)3Me](+): Parallels with Epoxides and New catena-Phosphorus Frameworks.","Journal of the American Chemical Society","2014","136","42","14941","14950","10.1021/ja507741s","","x-ray","0.71073","MoKα","","0.0685","0.0369","","","0.0819","0.0882","","","","","","1.01","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122803","9.6018","0.0005","9.3773","0.0005","11.5356","0.0006","90","","92.6341","0.0007","90","","1037.56","0.09","88","2","88","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","2","","Tollefson, Emily J.; Dawson, David D.; Osborne, Charlotte A.; Jarvo, Elizabeth R.","Stereospecific cross-coupling reactions of aryl-substituted tetrahydrofurans, tetrahydropyrans, and lactones.","Journal of the American Chemical Society","2014","136","42","14951","14958","10.1021/ja5076426","","","0.71073","MoKα","","0.0397","0.0367","","","0.0917","0.0939","","","","","","1.042","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122804","6.1199","0.0004","10.7129","0.0007","23.8191","0.0015","90","","90","","90","","1561.62","0.17","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O -","- C21 H20 O -","- C84 H80 O4 -","4","1","","Tollefson, Emily J.; Dawson, David D.; Osborne, Charlotte A.; Jarvo, Elizabeth R.","Stereospecific cross-coupling reactions of aryl-substituted tetrahydrofurans, tetrahydropyrans, and lactones.","Journal of the American Chemical Society","2014","136","42","14951","14958","10.1021/ja5076426","","","0.71073","MoKα","","0.0608","0.0505","","","0.1037","0.1096","","","","","","1.05","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122805","15.8595","0.0011","11.0683","0.0008","13.0301","0.0009","90","","90.8344","0.0009","90","","2287","0.3","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O5 -","- C28 H25 N O5 -","- C112 H100 N4 O20 -","4","1","","Tollefson, Emily J.; Dawson, David D.; Osborne, Charlotte A.; Jarvo, Elizabeth R.","Stereospecific cross-coupling reactions of aryl-substituted tetrahydrofurans, tetrahydropyrans, and lactones.","Journal of the American Chemical Society","2014","136","42","14951","14958","10.1021/ja5076426","","","0.71073","MoKα","","0.0529","0.045","","","0.125","0.1306","","","","","","1.061","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122806","16.686","0.0008","11.0565","0.0005","12.9454","0.0006","90","","105.515","0.0006","90","","2301.26","0.19","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O5 -","- C28 H25 N O5 -","- C112 H100 N4 O20 -","4","1","","Tollefson, Emily J.; Dawson, David D.; Osborne, Charlotte A.; Jarvo, Elizabeth R.","Stereospecific cross-coupling reactions of aryl-substituted tetrahydrofurans, tetrahydropyrans, and lactones.","Journal of the American Chemical Society","2014","136","42","14951","14958","10.1021/ja5076426","","","0.71073","MoKα","","0.0564","0.0422","","","0.1007","0.1085","","","","","","1.033","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122807","27.1914","0.0002","64.5676","0.0006","59.3556","0.0012","90","","92.701","0.001","90","","104094","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C688 H1107 Dy19 N104 O190 -","- C688 H1021 Dy19 N104 O190 -","- C2752 H4084 Dy76 N416 O760 -","4","1","","D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I.","Lanthanoid ""bottlebrush"" clusters: remarkably elongated metal-oxo core structures with controllable lengths.","Journal of the American Chemical Society","2014","136","43","15122","15125","10.1021/ja506677h","","","1.54178","CuKα","","0.1841","0.1061","","","0.3052","0.3682","","","","","","1.002","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122808","52.1542","0.001","44.1877","0.001","50.9434","0.0008","90","","112.332","0.002","90","","108597","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C652 H959 Dy19 N96 O172 -","- C652 H943 Dy19 N96 O172.04 -","- C2608 H3772 Dy76 N384 O688.16 -","4","0.5","","D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I.","Lanthanoid ""bottlebrush"" clusters: remarkably elongated metal-oxo core structures with controllable lengths.","Journal of the American Chemical Society","2014","136","43","15122","15125","10.1021/ja506677h","","","1.54178","CuKα","","0.1121","0.0773","","","0.2112","0.2296","","","","","","1.012","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122809","45.6636","0.0006","45.6636","0.0006","151.631","0.003","90","","90","","120","","273816","7","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C660 H988 Dy19 N96 O162.5 -","- C660 H967.01 Dy19 N96 O162.47 -","- C7920 H11604.1 Dy228 N1152 O1949.64 -","12","0.333333","","D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I.","Lanthanoid ""bottlebrush"" clusters: remarkably elongated metal-oxo core structures with controllable lengths.","Journal of the American Chemical Society","2014","136","43","15122","15125","10.1021/ja506677h","","","1.54178","CuKα","","0.1449","0.1043","","","0.2847","0.3124","","","","","","1.268","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122810","39.2443","0.0011","39.2443","0.0011","26.2023","0.0008","90","","90","","120","","34948.1","1.7","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C347 H485 Dy12 N48 O83 -","- C346.86 H427.623 Dy12 N48 O76.2496 -","- C1040.58 H1282.87 Dy36 N144 O228.749 -","3","0.333333","","D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I.","Lanthanoid ""bottlebrush"" clusters: remarkably elongated metal-oxo core structures with controllable lengths.","Journal of the American Chemical Society","2014","136","43","15122","15125","10.1021/ja506677h","","","0.71073","MoKα","","0.091","0.0642","","","0.1674","0.1852","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122811","10.0282","0.0008","12.0996","0.0011","14.7064","0.0012","90","","90","","90","","1784.4","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl I N O3 P -","- C17 H18 Cl I N O3 P -","- C68 H72 Cl4 I4 N4 O12 P4 -","4","1","","Toda, Yasunori; Pink, Maren; Johnston, Jeffrey N.","Brønsted Acid catalyzed phosphoramidic Acid additions to alkenes: diastereo- and enantioselective halogenative cyclizations for the synthesis of C- and p-chiral phosphoramidates.","Journal of the American Chemical Society","2014","136","42","14734","14737","10.1021/ja5088584","","","0.71073","MoKα","","0.0231","0.0204","","","0.0393","0.0399","","","","","","1.058","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122812","16.362","0.003","19.9","0.003","32.189","0.005","89.736","0.009","77.79","0.008","80.239","0.009","10090","3","100","","100.28","","","","","","","","","4","P -1","-P 1","2","","","","- C160 H240 Au24 S16 -","- C160 H240 Au24 S16 -","- C320 H480 Au48 S32 -","2","1","","Crasto, David; Barcaro, Giovanni; Stener, Mauro; Sementa, Luca; Fortunelli, Alessandro; Dass, Amala","Au24(SAdm)16 Nanomolecules: X-ray Crystal Structure, Theoretical Analysis, Adaptability of Adamantane Ligands to Form Au23(SAdm)16 and Au25(SAdm)16, and Its Relation to Au25(SR)18.","Journal of the American Chemical Society","2014","136","42","14933","14940","10.1021/ja507738e","","x-ray","0.71073","MoKα","K-L~3~","0.0902","0.0519","","","0.1646","0.1797","","","","","","1.047","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122813","10.5769","0.0016","15.839","0.002","16.025","0.002","109.034","0.0019","102.164","0.002","108.021","0.002","2263.7","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H16 Al F36 O4 S2 -","- C38 H16 Al F36 O4 S2 -","- C76 H32 Al2 F72 O8 S4 -","2","1","","Zhang, Senwang; Wang, Xingyong; Sui, Yunxia; Wang, Xinping","Odd-Electron-Bonded Sulfur Radical Cations: X-ray Structural Evidence of a Sulfur-Sulfur Three-Electron σ-Bond.","Journal of the American Chemical Society","2014","136","42","14666","14669","10.1021/ja507918c","","","0.71073","MoKα","","0.0739","0.0592","","","0.1733","0.2024","","","","","","1.015","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122814","18.1584","0.0016","20.0734","0.0017","54.656","0.005","90","","94.057","0.002","90","","19872","3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C155.54 H71.07 Al4 Cl7.07 F144 O16 S4 Se4 -","- C155.541 H71.082 Al4 Cl7.082 F144 O16 S4 Se4 -","- C622.164 H284.328 Al16 Cl28.328 F576 O64 S16 Se16 -","4","1","","Zhang, Senwang; Wang, Xingyong; Sui, Yunxia; Wang, Xinping","Odd-Electron-Bonded Sulfur Radical Cations: X-ray Structural Evidence of a Sulfur-Sulfur Three-Electron σ-Bond.","Journal of the American Chemical Society","2014","136","42","14666","14669","10.1021/ja507918c","","","0.71073","MoKα","","0.2132","0.1385","","","0.3858","0.4302","","","","","","1.416","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122815","10.8535","0.0002","11.216","0.0002","16.7367","0.0003","91.474","0.002","101.653","0.002","118.93","0.002","1728.21","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H55.86 B Br0.07 Co P3 -","- C36 H55.868 B Br0.066 Co P3 -","- C72 H111.736 B2 Br0.132 Co2 P6 -","2","1","","Gunderson, William A.; Suess, Daniel L. M.; Fong, Henry; Wang, Xiaoping; Hoffmann, Christina M.; Cutsail Iii, George E.; Peters, Jonas C.; Hoffman, Brian M.","Free H2 Rotation vs Jahn-Teller Constraints in the Nonclassical Trigonal (TPB)Co-H2 Complex.","Journal of the American Chemical Society","2014","136","42","14998","15009","10.1021/ja508117h","","","1","neutron","","0.0664","0.0664","","","0.1288","0.1288","","","","","","1.115","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122816","6.97471","0.00013","15.5811","0.0003","15.7189","0.0003","90","","92.442","0.0007","90","","1706.68","0.06","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cu F5 N2 -","- C20 H12 Cu F5 N2 -","- C80 H48 Cu4 F20 N8 -","4","1","","Saijo, Hiroki; Ohashi, Masato; Ogoshi, Sensuke","Fluoroalkylcopper(I) complexes generated by the carbocupration of tetrafluoroethylene: construction of a tetrafluoroethylene-bridging structure.","Journal of the American Chemical Society","2014","136","43","15158","15161","10.1021/ja5093776","","","1.54187","CuKα","","","0.0355","","","","0.0928","","","","","","1.126","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122817","9.2786","0.0011","8.7907","0.0012","18.68","0.003","90","","101.237","0.004","90","","1494.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 Cl N3 O4 -","- C11 H20 Cl N3 O4 -","- C44 H80 Cl4 N12 O16 -","4","1","","Rodriguez, Rodrigo A.; Barrios Steed, Danielle; Kawamata, Yu; Su, Shun; Smith, Peter A.; Steed, Tyler C.; Romesberg, Floyd E.; Baran, Phil S.","Axinellamines as broad-spectrum antibacterial agents: scalable synthesis and biology.","Journal of the American Chemical Society","2014","136","43","15403","15413","10.1021/ja508632y","","","0.71073","MoKα","","0.0333","0.0299","","","0.0808","0.083","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122818","12.0535","0.0013","7.1631","0.0007","9.0112","0.0009","90","","92.403","0.007","90","","777.35","0.14","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 O3 -","- C8 H12 O3 -","- C32 H48 O12 -","4","1","","Rodriguez, Rodrigo A.; Barrios Steed, Danielle; Kawamata, Yu; Su, Shun; Smith, Peter A.; Steed, Tyler C.; Romesberg, Floyd E.; Baran, Phil S.","Axinellamines as broad-spectrum antibacterial agents: scalable synthesis and biology.","Journal of the American Chemical Society","2014","136","43","15403","15413","10.1021/ja508632y","","","1.54178","CuKα","","0.0395","0.0376","","","0.0935","0.095","","","","","","1.112","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122819","5.6142","0.0005","12.7026","0.0008","12.0019","0.0008","90","","95.341","0.003","90","","852.2","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RRVI N oxide diol","3-(N,N-diethylamine)-propan-1,2-diol-N-oxide","","- C7 H17 N O3 -","- C7 H17 N O3 -","- C28 H68 N4 O12 -","4","1","","Rodriguez, Rodrigo A.; Barrios Steed, Danielle; Kawamata, Yu; Su, Shun; Smith, Peter A.; Steed, Tyler C.; Romesberg, Floyd E.; Baran, Phil S.","Axinellamines as broad-spectrum antibacterial agents: scalable synthesis and biology.","Journal of the American Chemical Society","2014","136","43","15403","15413","10.1021/ja508632y","","x-ray","0.71073","MoKα","K-L~3~","0.0383","0.0324","","","0.0846","0.0872","","","","","","1.044","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122820","10.0808","0.0012","10.94","0.0013","17.225","0.002","90","","94.659","0.002","90","","1893.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 Br N2 O5 -","- C17 H27 Br N2 O5 -","- C68 H108 Br4 N8 O20 -","4","1","","Rodriguez, Rodrigo A.; Barrios Steed, Danielle; Kawamata, Yu; Su, Shun; Smith, Peter A.; Steed, Tyler C.; Romesberg, Floyd E.; Baran, Phil S.","Axinellamines as broad-spectrum antibacterial agents: scalable synthesis and biology.","Journal of the American Chemical Society","2014","136","43","15403","15413","10.1021/ja508632y","","","0.71073","MoKα","","0.0338","0.0266","","","0.0576","0.0602","","","","","","1.051","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122821","12.5877","0.0003","13.9945","0.0004","13.4289","0.0004","90","","92.471","0.002","90","","2363.42","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl F6 N12 O5 -","- C16 H19 Cl F6 N12 O5 -","- C64 H76 Cl4 F24 N48 O20 -","4","1","","Rodriguez, Rodrigo A.; Barrios Steed, Danielle; Kawamata, Yu; Su, Shun; Smith, Peter A.; Steed, Tyler C.; Romesberg, Floyd E.; Baran, Phil S.","Axinellamines as broad-spectrum antibacterial agents: scalable synthesis and biology.","Journal of the American Chemical Society","2014","136","43","15403","15413","10.1021/ja508632y","","","0.71073","MoKα","","0.0767","0.0417","","","0.087","0.0992","","","","","","1.012","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122822","24.4088","0.0015","6.4226","0.0004","16.4976","0.001","90","","107.496","0.002","90","","2466.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 O4 P2 -","- C28 H28 O4 P2 -","- C112 H112 O16 P8 -","4","0.5","","Molitor, Sebastian; Becker, Julia; Gessner, Viktoria H.","Selective dehydrocoupling of phosphines by lithium chloride carbenoids.","Journal of the American Chemical Society","2014","136","44","15517","15520","10.1021/ja509381w","","","0.71073","MoKα","","0.0331","0.0289","","","0.0799","0.0834","","","","","","1.032","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122823","22.001","0.003","6.2497","0.0017","21.876","0.004","90","","94.39","0.006","90","","2999.1","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 N4 P2 -","- C32 H40 N4 P2 -","- C128 H160 N16 P8 -","4","0.5","","Molitor, Sebastian; Becker, Julia; Gessner, Viktoria H.","Selective dehydrocoupling of phosphines by lithium chloride carbenoids.","Journal of the American Chemical Society","2014","136","44","15517","15520","10.1021/ja509381w","","","0.71073","MoKα","","0.0455","0.0357","","","0.0794","0.0845","","","","","","1.078","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122824","10.008","0.0007","9.9556","0.0007","12.4143","0.0009","90","","112.631","0.002","90","","1141.67","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 P2 -","- C28 H28 P2 -","- C56 H56 P4 -","2","0.5","","Molitor, Sebastian; Becker, Julia; Gessner, Viktoria H.","Selective dehydrocoupling of phosphines by lithium chloride carbenoids.","Journal of the American Chemical Society","2014","136","44","15517","15520","10.1021/ja509381w","","","0.71073","MoKα","","0.0338","0.0289","","","0.0716","0.0754","","","","","","1.018","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122825","5.1968","0.0002","5.1968","0.0002","13.9363","0.0005","90","","90","","120","","325.95","0.02","300","","300","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Fe O3 Sc -","- Fe O3 Sc -","- Fe6 O18 Sc6 -","6","0.333333","","Kawamoto, Takahiro; Fujita, Koji; Yamada, Ikuya; Matoba, Tomohiko; Kim, Sung Joo; Gao, Peng; Pan, Xiaoqing; Findlay, Scott D.; Tassel, Cédric; Kageyama, Hiroshi; Studer, Andrew J.; Hester, James; Irifune, Tetsuo; Akamatsu, Hirofumi; Tanaka, Katsuhisa","Room-Temperature Polar Ferromagnet ScFeO3 Transformed from a High-Pressure Orthorhombic Perovskite Phase.","Journal of the American Chemical Society","2014","136","43","15291","15299","10.1021/ja507958z","powder diffraction","","0.41912","","","0.00635","","","","","","0.00633","0.01306","0.7877","","","","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122826","9","0.0018","15","0.003","17","0.003","83","0.03","77","0.03","87","0.03","2218.8","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H88 Mg2 N4 O16 -","- C102 H88 Mg2 N4 O16 -","- C102 H88 Mg2 N4 O16 -","1","0.5","","Guo, Yuexin; Feng, Xiao; Han, Tianyu; Wang, Shan; Lin, Zhengguo; Dong, Yuping; Wang, Bo","Tuning the luminescence of metal-organic frameworks for detection of energetic heterocyclic compounds.","Journal of the American Chemical Society","2014","136","44","15485","15488","10.1021/ja508962m","","","0.71073","MoKα","","0.0498","0.0409","","","0.1076","0.114","","","","","","1.031","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122827","6","0.0012","7","0.0014","17.544","0.003","97.67","0.03","96.82","0.03","96","0.03","719.6","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N2 Ni O6 -","- C36 H34 N2 Ni O6 -","- C36 H34 N2 Ni O6 -","1","0.5","","Guo, Yuexin; Feng, Xiao; Han, Tianyu; Wang, Shan; Lin, Zhengguo; Dong, Yuping; Wang, Bo","Tuning the luminescence of metal-organic frameworks for detection of energetic heterocyclic compounds.","Journal of the American Chemical Society","2014","136","44","15485","15488","10.1021/ja508962m","","","0.71073","MoKα","","0.032","0.0294","","","0.0745","0.0758","","","","","","1.08","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122828","6","0.0012","7","0.0014","17.422","0.003","96.72","0.03","96.87","0.03","96","0.03","716.2","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Co N2 O6 -","- C36 H34 Co N2 O6 -","- C36 H34 Co N2 O6 -","1","0.5","","Guo, Yuexin; Feng, Xiao; Han, Tianyu; Wang, Shan; Lin, Zhengguo; Dong, Yuping; Wang, Bo","Tuning the luminescence of metal-organic frameworks for detection of energetic heterocyclic compounds.","Journal of the American Chemical Society","2014","136","44","15485","15488","10.1021/ja508962m","","","0.71073","MoKα","","0.0309","0.0291","","","0.0773","0.0785","","","","","","1.087","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122829","16.1791","0.0013","9.7736","0.0008","16.939","0.0013","90","","92.285","0.002","90","","2676.4","0.4","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H33 Cl2 Co N3 O -","- C29 H33 Cl2 Co N3 O -","- C116 H132 Cl8 Co4 N12 O4 -","4","2","","Zhang, Lei; Zuo, Ziqing; Wan, Xiaolong; Huang, Zheng","Cobalt-catalyzed enantioselective hydroboration of 1,1-disubstituted aryl alkenes.","Journal of the American Chemical Society","2014","136","44","15501","15504","10.1021/ja5093908","","","0.71073","MoKα","","0.0862","0.0516","","","0.0993","0.1198","","","","","","0.984","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122830","14.2134","0.0005","22.5695","0.0008","16.1066","0.0006","90","","95.976","0.001","90","","5138.7","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","NiCl(C2Cl5)(CNArMes2)2","","","- C54 H54 Cl6 N2 Ni O0.5 -","- C54 H54 Cl6 N2 Ni O0.5 -","- C216 H216 Cl24 N8 Ni4 O2 -","4","1","","Carpenter, Alex E.; McNeece, Andrew J.; Barnett, Brandon R.; Estrada, Alexander L.; Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Perrin, Charles L.; Figueroa, Joshua S.","Direct Observation of β-Chloride Elimination from an Isolable β-Chloroalkyl Complex of Square-Planar Nickel.","Journal of the American Chemical Society","2014","136","44","15481","15484","10.1021/ja508956q","","x-ray","0.71073","MoKα","","0.0555","0.0404","","","0.1","0.108","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122831","12.3698","0.001","14.649","0.0012","16.2882","0.0014","69.508","0.003","70.124","0.003","68.086","0.003","2489.4","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","NiCl2(CNArMes2)2","","","- C58.25 H59.375 Cl2 F1.125 N2 Ni O0.375 -","- C58.25 H59.375 Cl2 F1.125 N2 Ni O0.375 -","- C116.5 H118.75 Cl4 F2.25 N4 Ni2 O0.75 -","2","1","","Carpenter, Alex E.; McNeece, Andrew J.; Barnett, Brandon R.; Estrada, Alexander L.; Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Perrin, Charles L.; Figueroa, Joshua S.","Direct Observation of β-Chloride Elimination from an Isolable β-Chloroalkyl Complex of Square-Planar Nickel.","Journal of the American Chemical Society","2014","136","44","15481","15484","10.1021/ja508956q","","x-ray","0.71073","MoKα","","0.0943","0.0473","","","0.0918","0.1055","","","","","","1.003","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122832","17.0333","0.0009","12.9995","0.0008","29.635","0.0019","90","","105.552","0.0017","90","","6321.7","0.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pd(eta2-C2Cl4)(CNArDipp2)2","","","- C71.5 H92 Cl4 N2 Pd -","- C64 H74 Cl4 N2 Pd -","- C256 H296 Cl16 N8 Pd4 -","4","0.5","","Carpenter, Alex E.; McNeece, Andrew J.; Barnett, Brandon R.; Estrada, Alexander L.; Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Perrin, Charles L.; Figueroa, Joshua S.","Direct Observation of β-Chloride Elimination from an Isolable β-Chloroalkyl Complex of Square-Planar Nickel.","Journal of the American Chemical Society","2014","136","44","15481","15484","10.1021/ja508956q","","x-ray","0.71073","MoKα","","0.0672","0.0439","","","0.0939","0.1009","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122833","5.7265","0.0002","12.1931","0.0003","22.4695","0.0005","90","","90","","90","","1568.91","0.08","90","2","90.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Soldi, Cristian; Lamb, Kellan N.; Squitieri, Richard A.; González-López, Marcos; Di Maso, Michael J.; Shaw, Jared T.","Enantioselective intramolecular C-h insertion reactions of donor-donor metal carbenoids.","Journal of the American Chemical Society","2014","136","43","15142","15145","10.1021/ja508586t","","","1.54178","CuKα","","0.0362","0.0314","","","0.0729","0.075","","","","","","1.085","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122834","8.5218","0.0004","11.618","0.0005","17.0886","0.0007","87.451","0.001","83.151","0.001","81.44","0.001","1660.48","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","2","","Tlais, Sami F.; Danheiser, Rick L.","N-tosyl-3-azacyclohexyne. Synthesis and chemistry of a strained cyclic ynamide.","Journal of the American Chemical Society","2014","136","44","15489","15492","10.1021/ja509055r","","","0.71073","MoKα","","0.0473","0.0367","","","0.0902","0.0973","","","","","","1.031","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122835","8.8244","0.0012","10.6363","0.0015","17.548","0.002","95.353","0.002","96.262","0.002","111.638","0.002","1505.9","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H42 Co N2 O Si2 -","- C29 H42 Co N2 O Si2 -","- C58 H84 Co2 N4 O2 Si4 -","2","1","","Zhang, Long; Liu, Yuesheng; Deng, Liang","Three-Coordinate Cobalt(IV) and Cobalt(V) Imido Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Their Distinct Reactivity in C-H Bond Amination.","Journal of the American Chemical Society","2014","136","44","15525","15528","10.1021/ja509731z","","","0.71073","MoKα","","0.0744","0.0486","","","0.1307","0.1632","","","","","","1.049","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122836","16.843","0.003","16.843","0.003","28.286","0.005","90","","90","","90","","8024","2","140","2","140","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C45 H58 Co N4 -","- C45 H58 Co N4 -","- C360 H464 Co8 N32 -","8","0.5","","Zhang, Long; Liu, Yuesheng; Deng, Liang","Three-Coordinate Cobalt(IV) and Cobalt(V) Imido Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Their Distinct Reactivity in C-H Bond Amination.","Journal of the American Chemical Society","2014","136","44","15525","15528","10.1021/ja509731z","","","0.71073","MoKα","","0.0725","0.0377","","","0.0844","0.0997","","","","","","1.019","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122837","35.0267","0.0011","22.8219","0.0011","19.3509","0.0007","90","","103.123","0.002","90","","15064.7","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C77 H70 B Co F24 N4 -","- C77 H70 B Co F24 N4 -","- C616 H560 B8 Co8 F192 N32 -","8","1","","Zhang, Long; Liu, Yuesheng; Deng, Liang","Three-Coordinate Cobalt(IV) and Cobalt(V) Imido Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Their Distinct Reactivity in C-H Bond Amination.","Journal of the American Chemical Society","2014","136","44","15525","15528","10.1021/ja509731z","","","0.71073","MoKα","","0.1215","0.0704","","","0.1753","0.2088","","","","","","1.076","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122838","12.0254","0.0016","17.359","0.002","21.162","0.003","110.953","0.003","94.896","0.003","102.582","0.002","3961.3","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H58 Co N4 -","- C45 H58 Co N4 -","- C180 H232 Co4 N16 -","4","2","","Zhang, Long; Liu, Yuesheng; Deng, Liang","Three-Coordinate Cobalt(IV) and Cobalt(V) Imido Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Their Distinct Reactivity in C-H Bond Amination.","Journal of the American Chemical Society","2014","136","44","15525","15528","10.1021/ja509731z","","","0.71073","MoKα","","0.1293","0.0602","","","0.1369","0.1719","","","","","","0.954","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122839","15.7932","0.0016","13.3261","0.0013","10.5524","0.0011","90","","102.516","0.002","90","","2168.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Br2 N O4 -","- C23 H19 Br2 N O4 -","- C92 H76 Br8 N4 O16 -","4","1","","Fukui, Yuki; Liu, Ping; Liu, Qiang; He, Zhi-Tao; Wu, Nuo-Yi; Tian, Ping; Lin, Guo-Qiang","Tunable Arylative Cyclization of 1,6-Enynes Triggered by Rhodium(III)-Catalyzed C-H Activation.","Journal of the American Chemical Society","2014","136","44","15607","15614","10.1021/ja5072702","","","0.71073","MoKα","","0.069","0.0454","","","0.1077","0.1194","","","","","","1.02","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122840","12.17","0.003","16.366","0.004","7.4816","0.0018","90","","101.97","0.005","90","","1457.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br N O3 -","- C17 H14 Br N O3 -","- C68 H56 Br4 N4 O12 -","4","1","","Fukui, Yuki; Liu, Ping; Liu, Qiang; He, Zhi-Tao; Wu, Nuo-Yi; Tian, Ping; Lin, Guo-Qiang","Tunable Arylative Cyclization of 1,6-Enynes Triggered by Rhodium(III)-Catalyzed C-H Activation.","Journal of the American Chemical Society","2014","136","44","15607","15614","10.1021/ja5072702","","","0.71073","MoKα","","0.0454","0.035","","","0.0819","0.0868","","","","","","1.04","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122841","12.945","0.002","7.1669","0.0013","14.497","0.003","90","","114.553","0.003","90","","1223.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Xu, Ren-Qi; Gu, Qing; Wu, Wen-Ting; Zhao, Zhuo-An; You, Shu-Li","Construction of Erythrinane Skeleton via Pd(0)-Catalyzed Intramolecular Dearomatization of para-Aminophenols.","Journal of the American Chemical Society","2014","136","44","15469","15472","10.1021/ja508645j","","","0.71073","MoKα","","0.0678","0.0552","","","0.1343","0.1443","","","","","","1.018","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122842","18.063","0.003","11.0258","0.0016","20.374","0.003","90","","110.097","0.002","90","","3810.6","1","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 B10 -","- C16 H22 B10 -","- C128 H176 B80 -","8","1","","Quan, Yangjian; Xie, Zuowei","Iridium Catalyzed Regioselective Cage Boron Alkenylation of o-Carboranes via Direct Cage B-H Activation.","Journal of the American Chemical Society","2014","136","44","15513","15516","10.1021/ja509557j","","","0.71073","MoKα","","0.1021","0.0526","","","0.1222","0.1505","","","","","","1.013","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122843","10.3898","0.001","28.77","0.003","9.6471","0.001","90","","117.068","0.002","90","","2567.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 B10 O4 -","- C22 H30 B10 O4 -","- C88 H120 B40 O16 -","4","1","","Quan, Yangjian; Xie, Zuowei","Iridium Catalyzed Regioselective Cage Boron Alkenylation of o-Carboranes via Direct Cage B-H Activation.","Journal of the American Chemical Society","2014","136","44","15513","15516","10.1021/ja509557j","","","0.71073","MoKα","","0.0946","0.0634","","","0.1877","0.2124","","","","","","1.092","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122844","6.6623","0.0004","11.3564","0.0007","12.8542","0.0008","69.376","0.001","75.686","0.001","78.945","0.001","876.07","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20 B10 O2 -","- C13 H20 B10 O2 -","- C26 H40 B20 O4 -","2","1","","Quan, Yangjian; Xie, Zuowei","Iridium Catalyzed Regioselective Cage Boron Alkenylation of o-Carboranes via Direct Cage B-H Activation.","Journal of the American Chemical Society","2014","136","44","15513","15516","10.1021/ja509557j","","","0.71073","MoKα","","0.0527","0.043","","","0.1158","0.1228","","","","","","1.041","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122845","9.3691","0.0007","9.8429","0.0008","13.8368","0.0011","73.574","0.002","82.746","0.002","76.124","0.002","1185.88","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H33 B10 Ir O3 S -","- C16 H33 B10 Ir O3 S -","- C32 H66 B20 Ir2 O6 S2 -","2","1","","Quan, Yangjian; Xie, Zuowei","Iridium Catalyzed Regioselective Cage Boron Alkenylation of o-Carboranes via Direct Cage B-H Activation.","Journal of the American Chemical Society","2014","136","44","15513","15516","10.1021/ja509557j","","","0.71073","MoKα","","0.0351","0.033","","","0.0899","0.0906","","","","","","1.195","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122846","11.116","0.003","16.755","0.004","9.432","0.003","90","","103.049","0.004","90","","1711.3","0.8","230","2","230","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C84 H76 N12 -","4","1","","Longstreet, Ashley R.; Jo, Minyoung; Chandler, Rebecca R.; Hanson, Kenneth; Zhan, Naiqian; Hrudka, Jeremy J.; Mattoussi, Hedi; Shatruk, Michael; McQuade, D. Tyler","Ylidenemalononitrile enamines as fluorescent ""turn-on"" indicators for primary amines.","Journal of the American Chemical Society","2014","136","44","15493","15496","10.1021/ja509058u","","","0.71073","MoKα","","0.069","0.0423","","","0.1011","0.1155","","","","","","1.021","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122847","7.7043","0.0009","15.9073","0.0019","15.9426","0.0019","90","","90","","90","","1953.8","0.4","230","2","230","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N3 -","- C10 H13 N3 -","- C80 H104 N24 -","8","1","","Longstreet, Ashley R.; Jo, Minyoung; Chandler, Rebecca R.; Hanson, Kenneth; Zhan, Naiqian; Hrudka, Jeremy J.; Mattoussi, Hedi; Shatruk, Michael; McQuade, D. Tyler","Ylidenemalononitrile enamines as fluorescent ""turn-on"" indicators for primary amines.","Journal of the American Chemical Society","2014","136","44","15493","15496","10.1021/ja509058u","","","0.71073","MoKα","","0.0493","0.0409","","","0.1143","0.1231","","","","","","1.011","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122848","18.731","0.002","8.154","0.001","19.066","0.002","90","","90","","90","","2912","0.6","125","2","125","2","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C48 H24 -","- C48 H24 -","- C192 H96 -","4","0.5","","Hiszpanski, Anna M.; Baur, Robin M.; Kim, Bumjung; Tremblay, Noah J.; Nuckolls, Colin; Woll, Arthur R.; Loo, Yueh-Lin","Tuning Polymorphism and Orientation in Organic Semiconductor Thin Films via Post-deposition Processing.","Journal of the American Chemical Society","2014","136","44","15749","15756","10.1021/ja5091035","","","0.71073","MoKα","","0.1525","0.0618","","","0.1068","0.1359","","","","","","1","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122849","12.2985","0.0019","7.9282","0.0012","13.998","0.002","90","","90.123","0.002","90","","1364.9","0.4","125","2","125","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H24 -","- C48 H24 -","- C96 H48 -","2","0.5","","Hiszpanski, Anna M.; Baur, Robin M.; Kim, Bumjung; Tremblay, Noah J.; Nuckolls, Colin; Woll, Arthur R.; Loo, Yueh-Lin","Tuning Polymorphism and Orientation in Organic Semiconductor Thin Films via Post-deposition Processing.","Journal of the American Chemical Society","2014","136","44","15749","15756","10.1021/ja5091035","","","0.71073","MoKα","","0.1164","0.0577","","","0.1202","0.1426","","","","","","1.018","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122850","21.4604","0.0015","21.6292","0.0015","22.0437","0.0017","88.052","0.002","64.744","0.002","60.903","0.003","7888.8","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C176 H328 Ag62 B2 S44 -","- C176 H328 Ag62 B2 S44 -","- C176 H328 Ag62 B2 S44 -","1","0.5","","Jin, Shan; Wang, Shuxin; Song, Yongbo; Zhou, Meng; Zhong, Juan; Zhang, Jun; Xia, Andong; Pei, Yong; Chen, Man; Li, Peng; Zhu, Manzhou","Crystal Structure and Optical Properties of the [Ag62S12(SBu(t))32](2+) Nanocluster with a Complete Face-Centered Cubic Kernel.","Journal of the American Chemical Society","2014","136","44","15559","15565","10.1021/ja506773d","","","0.71073","MoKα","","0.0655","0.0607","","","0.1505","0.1571","","","","","","1.066","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122851","23.5482","0.0016","23.548","","31.983","0.002","90","","90","","90","","17735","1.6","296","2","296","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C100 H52 In3 N4 O16 -","- C100 H52 In3 N4 O16 -","- C200 H104 In6 N8 O32 -","2","0.25","","Johnson, Jacob A.; Zhang, Xu; Reeson, Tyler C.; Chen, Yu-Sheng; Zhang, Jian","Facile Control of the Charge Density and Photocatalytic Activity of an Anionic Indium Porphyrin Framework via in Situ Metalation.","Journal of the American Chemical Society","2014","","","141028135635006","","10.1021/ja5092672","","","0.41329","Synchrotron","","0.1437","0.0958","","","0.279","0.3034","","","","","","0.952","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122852","23.881","0.002","23.915","0.002","28.808","0.002","90","","90","","90","","16453","2","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C100 H52 In3 N4 O16 -","- C100 H52 In3 N4 O16 -","- C200 H104 In6 N8 O32 -","2","0.25","","Johnson, Jacob A.; Zhang, Xu; Reeson, Tyler C.; Chen, Yu-Sheng; Zhang, Jian","Facile Control of the Charge Density and Photocatalytic Activity of an Anionic Indium Porphyrin Framework via in Situ Metalation.","Journal of the American Chemical Society","2014","","","141028135635006","","10.1021/ja5092672","","","0.4428","Synchrotron","","0.1738","0.099","","","0.2567","0.2858","","","","","","0.887","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122853","6.7128","0.0002","9.2273","0.0004","22.4255","0.0009","86.47","0.002","83.099","0.0014","89.5329","0.0017","1376.38","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H41 N O -","- C34 H41 N O -","- C68 H82 N2 O2 -","2","2","","Zhu, Shaolin; Buchwald, Stephen L.","Enantioselective CuH-Catalyzed Anti-Markovnikov Hydroamination of 1,1-Disubstituted Alkenes.","Journal of the American Chemical Society","2014","","","141029103858000","","10.1021/ja509786v","","","1.54178","CuKα","","0.0309","0.0305","","","0.0838","0.0841","","","","","","1.066","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122854","10.4142","0.0004","22.9367","0.0007","13.8197","0.0007","90","","106.992","0.005","90","","3157","0.2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H88 B2 Br2 Mn2 N4 O2 -","- C60 H88 B2 Br2 Mn2 N4 O2 -","- C120 H176 B4 Br4 Mn4 N8 O4 -","2","0.5","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","0.71073","MoKα","","0.0649","0.0426","","","0.0947","0.1068","","","","","","1.039","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122855","14.73","0.0002","17.6322","0.0002","26.2218","0.0004","90","","90","","90","","6810.39","0.16","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H41 B Cr N2 O6 -","- C34 H41 B Cr N2 O6 -","- C272 H328 B8 Cr8 N16 O48 -","8","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0419","0.0377","","0.0959","0.0934","0.0959","","","","","","1.0121","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122856","18.1928","0.0001","8.7226","0.0001","19.6128","0.0001","90","","90","","90","","3112.33","0.04","150","","150","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C31 H36 B Mn N2 O5 -","- C31 H36 B Mn N2 O5 -","- C124 H144 B4 Mn4 N8 O20 -","4","0.5","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0251","0.0243","","0.0674","0.0667","0.0674","","","","","","0.9873","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122857","10.5864","0.0002","16.1312","0.0004","20.7425","0.0005","69.554","0.002","78.5898","0.0019","85.9673","0.0018","3253.47","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 B N2 O6 Re -","- C32 H36 B N2 O6 Re -","- C128 H144 B4 N8 O24 Re4 -","4","2","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0317","0.0301","","0.0823","0.0807","0.0823","","","","","","1.0004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122858","11.2399","0.0001","13.8423","0.0001","20.2363","0.0002","90","","90","","90","","3148.49","0.05","150","","150","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C31 H36 B N2 O5 Re -","- C31 H36 B N2 O5 Re -","- C124 H144 B4 N8 O20 Re4 -","4","0.25","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0183","0.0183","","0.0483","0.0483","0.0483","","","","","","1.0251","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122859","10.5899","0.0001","10.6149","0.0001","14.9425","0.0002","104.508","0.0005","93.2151","0.0006","99.4456","0.0006","1595.76","0.03","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H41 B Fe N2 O3 -","- C34 H41 B Fe N2 O3 -","- C68 H82 B2 Fe2 N4 O6 -","2","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","0.71073","MoKα","","0.0498","0.0393","","0.0962","0.0842","0.0962","","","","","","0.9136","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122860","15.1999","0.0001","36.2208","0.0003","12.2597","0.0001","90","","105.802","0.0005","90","","6494.52","0.09","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H41 B Fe N2 O2 -","- C33 H41 B Fe N2 O2 -","- C264 H328 B8 Fe8 N16 O16 -","8","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","0.71073","MoKα","","0.0534","0.039","","0.1087","0.0928","0.1087","","","","","","0.9342","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122861","10.7633","0.0002","17.1573","0.0004","19.4817","0.0004","90","","98.4399","0.0019","90","","3558.71","0.13","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 B Fe N2 O2 S -","- C37 H48 B Fe N2 O2 S -","- C148 H192 B4 Fe4 N8 O8 S4 -","4","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0553","0.0493","","0.1352","0.1298","0.1352","","","","","","0.9902","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122862","14.1205","0.0004","13.8672","0.0004","14.9082","0.0004","90","","98.874","0.003","90","","2884.26","0.14","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 B Co3 O10 -","- C28 H22 B Co3 O10 -","- C112 H88 B4 Co12 O40 -","4","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0543","0.0393","","0.098","0.089","0.0979","","","","","","0.9948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122863","10.3904","0.0001","16.1108","0.0001","27.8515","0.0003","90","","98.9535","0.0004","90","","4605.47","0.07","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H51 B Co N2 O3 P -","- C47 H51 B Co N2 O3 P -","- C188 H204 B4 Co4 N8 O12 P4 -","4","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","0.71073","MoKα","","0.0847","0.051","","0.1432","0.1138","0.1432","","","","","","0.9829","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122864","7.632","0.0002","7.9748","0.0002","17.8334","0.0005","90","","90","","90","","1085.41","0.05","100","","100","","","","","","","","see paper","3","P 21 21 21","P 2ac 2ab","19","","Title","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Mailhol, Damien; Willwacher, Jens; Kausch-Busies, Nina; Rubitski, Elizabeth E.; Sobol, Zhanna; Schuler, Maik; Lam, My-Hanh; Musto, Sylvia; Loganzo, Frank; Maderna, Andreas; Fürstner, Alois","Synthesis, molecular editing, and biological assessment of the potent cytotoxin leiodermatolide.","Journal of the American Chemical Society","2014","136","44","15719","15729","10.1021/ja508846g","","","1.54178","Cu-Kα","","0.031","0.0291","","","0.0705","0.0714","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122865","8.7417","0.0005","18.3901","0.0009","21.568","0.0011","90","","90","","90","","3467.3","0.3","100","","100","","","","","","","","dichloromethane,diethylether","4","P 21 21 21","P 2ac 2ab","19","","Title","","- C34 H53 N O9 -","- C34 H53 N O9 -","- C136 H212 N4 O36 -","4","1","","Mailhol, Damien; Willwacher, Jens; Kausch-Busies, Nina; Rubitski, Elizabeth E.; Sobol, Zhanna; Schuler, Maik; Lam, My-Hanh; Musto, Sylvia; Loganzo, Frank; Maderna, Andreas; Fürstner, Alois","Synthesis, molecular editing, and biological assessment of the potent cytotoxin leiodermatolide.","Journal of the American Chemical Society","2014","136","44","15719","15729","10.1021/ja508846g","","","1.54178","Cu-Kα","","0.0284","0.0274","","","0.0666","0.0673","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122866","24.4345","0.0015","25.6731","0.0016","28.6611","0.0017","82.922","0.003","66.366","0.004","72.449","0.003","15704.5","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C256 H172.5 F48 Fe4 N24.5 P8 -","- C256 H172.5 F48 Fe4 N24.5 P8 -","- C512 H345 F96 Fe8 N49 P16 -","2","1","","Ronson, Tanya K.; League, Aaron B.; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.","Pyrene-Edged Fe(II)4L6 Cages Adaptively Reconfigure During Guest Binding.","Journal of the American Chemical Society","2014","136","44","15615","15624","10.1021/ja507617h","","","0.6889","synchrotron","","0.1417","0.1016","","","0.2795","0.3111","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122867","15.839","0.004","25.104","0.005","25.353","0.005","70.598","0.003","88.362","0.003","89.674","0.003","9504","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C276 H394 F54 N18 O108 Rh18 S18 -","- C268 H306 F42 N18 O90 Rh18 S14 -","- C268 H306 F42 N18 O90 Rh18 S14 -","1","0.5","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.2","0.1237","","","0.3392","0.383","","","","","","1.124","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122868","18.8903","0.0019","19.91","0.002","24.123","0.003","100.142","0.002","95.751","0.002","95.281","0.002","8830.2","1.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C274 H398 F24 N28 O104 Rh18 S8 -","- C260 H300 F18 N28 O86 Rh18 S6 -","- C260 H300 F18 N28 O86 Rh18 S6 -","1","0.5","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.1072","0.0728","","","0.2054","0.2456","","","","","","0.886","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122869","16.6973","0.0012","17.2047","0.0012","17.8926","0.0013","65.351","0.001","71.501","0.001","62.58","0.001","4096.6","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H64 F18 Ir3 K3 N8 O22 S6 -","- C56 H61 F18 Ir3 K3 N8 O22 S6 -","- C112 H122 F36 Ir6 K6 N16 O44 S12 -","2","1","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.0527","0.0355","","","0.0846","0.1163","","","","","","1.107","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122870","11.8675","0.0012","17.6975","0.0017","20.619","0.002","113.598","0.001","91.896","0.001","98.774","0.002","3900.7","0.7","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C110 H128 F30 K2 N16 O38 Rh6 S10 Zn -","- C110 H122 F30 K2 N16 O38 Rh6 S10 Zn -","- C110 H122 F30 K2 N16 O38 Rh6 S10 Zn -","1","0.5","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.0902","0.0709","","","0.214","0.2468","","","","","","1.08","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122871","7.9644","0.0007","15.4104","0.0014","21.4544","0.0019","104.205","0.001","97.878","0.001","103.111","0.001","2433.8","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H61 Cl4 Li N3 O7 Rh3 -","- C42 H57 Cl4 Li N3 O6 Rh3 -","- C84 H114 Cl8 Li2 N6 O12 Rh6 -","2","1","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.0432","0.0358","","","0.127","0.1435","","","","","","1.081","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122872","22.644","0.0015","22.644","0.0015","20.7045","0.0014","90","","90","","120","","9193.9","1.1","173","2","173","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C131 H180 F15 N16 O51 Rh9 S5 -","- C126 H156 N16 O24 Rh9 -","- C252 H312 N32 O48 Rh18 -","2","0.333333","","Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin","Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.","Journal of the American Chemical Society","2014","136","44","15521","15524","10.1021/ja5096914","","","0.71073","MoKα","","0.0675","0.0486","","","0.1264","0.1373","","","","","","0.969","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122873","18.253","0.003","14.801","0.002","17.422","0.002","90","","90","","90","","4706.8","1.1","120","2","120","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C45 H42 B Co F3 Fe N15 O4 S -","- C42 H35 B Co F3 Fe N14 O3 S -","- C168 H140 B4 Co4 F12 Fe4 N56 O12 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.0604","0.052","","","0.1396","0.143","","","","","","1.176","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122874","18.6572","0.0009","15.2008","0.0008","17.5964","0.0009","90","","90","","90","","4990.4","0.4","90","2","90","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C48 H49 B Co F3 Fe N16 O5 S -","- C48 H35 B Co F3 Fe N16 O5 S -","- C192 H140 B4 Co4 F12 Fe4 N64 O20 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.1155","0.0992","","","0.2348","0.2431","","","","","","1.229","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122875","18.3266","0.0015","14.898","0.0011","17.4326","0.0014","90","","90","","90","","4759.6","0.6","120","2","120","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C45 H42 B Co F3 Fe N15 O4 S -","- C42 H35 B Co F3 Fe N14 O3 S -","- C168 H140 B4 Co4 F12 Fe4 N56 O12 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.0715","0.0656","","","0.1806","0.184","","","","","","1.161","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122876","18.843","0.003","15.396","0.002","17.67","0.003","90","","90","","90","","5126.2","1.4","180","2","180","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C48 H49 B Co F3 Fe N16 O5 S -","- C48 H35 B Co F3 Fe N16 O5 S -","- C192 H140 B4 Co4 F12 Fe4 N64 O20 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.0691","0.0595","","","0.1642","0.1737","","","","","","1.069","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122877","18.5561","0.0017","15.1628","0.0013","17.78","0.0016","90","","90","","90","","5002.6","0.8","200","2","200","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C45 H42 B Co F3 Fe N15 O4 S -","- C42 H35 B Co F3 Fe N14 O3 S -","- C168 H140 B4 Co4 F12 Fe4 N56 O12 S4 -","4","0.5","","Koumousi, Evangelia S.; Jeon, Ie-Rang; Gao, Qian; Dechambenoit, Pierre; Woodruff, Daniel N.; Merzeau, Pascal; Buisson, Lionel; Jia, Xiaolu; Li, Dongfeng; Volatron, Florence; Mathonière, Corine; Clérac, Rodolphe","Metal-to-Metal Electron Transfer in Co/Fe Prussian Blue Molecular Analogues: The Ultimate Miniaturization.","Journal of the American Chemical Society","2014","136","44","15461","15464","10.1021/ja508094h","","","0.71073","MoKα","","0.0685","0.0649","","","0.1807","0.1828","","","","","","1.183","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122878","10.4253","0.0003","6.4492","0.0002","11.5276","0.0004","90","","110.011","0.001","90","","728.26","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","S2","S2","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Chen, Wenyong; Chen, Ming; Hartwig, John F.","Diastereo- and Enantioselective Iridium-Catalyzed Allylation of Cyclic Ketone Enolates: Synergetic Effect of Ligands and Barium Enolates.","Journal of the American Chemical Society","2014","","","141030073216002","","10.1021/ja506500u","","","1.54178","CuKα","","0.0341","0.0337","","","0.0889","0.0893","","","","","","1.053","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4122879","10.4745","0.0004","13.2976","0.0005","33.3082","0.0013","90","","90","","90","","4639.4","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","S1","S1","","- C30 H32 O -","- C30 H32 O -","- C240 H256 O8 -","8","2","","Chen, Wenyong; Chen, Ming; Hartwig, John F.","Diastereo- and Enantioselective Iridium-Catalyzed Allylation of Cyclic Ketone Enolates: Synergetic Effect of Ligands and Barium Enolates.","Journal of the American Chemical Society","2014","","","141030073216002","","10.1021/ja506500u","","","1.54178","CuKα","","0.0712","0.0673","","","0.1792","0.182","","","","","","1.067","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4122880","10.1015","0.0005","13.0117","0.0006","15.979","0.0008","90","","100.364","0.002","90","","2065.98","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 B N O2 -","- C21 H32 B N O2 -","- C84 H128 B4 N4 O8 -","4","1","","Parra, Alejandro; Amenós, Laura; Guisán-Ceinos, Manuel; López, Aurora; García Ruano, José Luis; Tortosa, Mariola","Copper-Catalyzed Diastereo- and Enantioselective Desymmetrization of Cyclopropenes: Synthesis of Cyclopropylboronates.","Journal of the American Chemical Society","2014","","","141031133923007","","10.1021/ja510419z","","","0.71073","MoKα","","0.1534","0.0907","","","0.2581","0.3097","","","","","","1.033","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122881","10.7904","0.0003","14.1523","0.0004","20.1412","0.0005","90","","97.716","0.001","90","","3047.89","0.14","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","AP588","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","1","","Parra, Alejandro; Amenós, Laura; Guisán-Ceinos, Manuel; López, Aurora; García Ruano, José Luis; Tortosa, Mariola","Copper-Catalyzed Diastereo- and Enantioselective Desymmetrization of Cyclopropenes: Synthesis of Cyclopropylboronates.","Journal of the American Chemical Society","2014","","","141031133923007","","10.1021/ja510419z","","","0.71073","","","0.0524","0.0408","","","0.1082","0.1176","","","","","","1.017","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122882","7.134","0.0002","10.6384","0.0003","21.0677","0.0007","90","","90","","90","","1598.92","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","MGC-109","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","1","","Parra, Alejandro; Amenós, Laura; Guisán-Ceinos, Manuel; López, Aurora; García Ruano, José Luis; Tortosa, Mariola","Copper-Catalyzed Diastereo- and Enantioselective Desymmetrization of Cyclopropenes: Synthesis of Cyclopropylboronates.","Journal of the American Chemical Society","2014","","","141031133923007","","10.1021/ja510419z","","","0.71073","","","0.0573","0.0423","","","0.1202","0.138","","","","","","1.018","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122883","12.7865","0.0006","19.9241","0.0009","17.011","0.0007","90","","106.744","0.001","90","","4150","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.81 H29.34 B Br0.47 F20 O2 -","- C42.8062 H29.3385 B Br0.4677 F20 O2 -","- C171.225 H117.354 B4 Br1.8708 F80 O8 -","4","1","","Mahdi, Tayseer; Stephan, Douglas W.","Enabling Catalytic Ketone Hydrogenation by Frustrated Lewis Pairs.","Journal of the American Chemical Society","2014","","","141031153414000","","10.1021/ja508829x","","","0.71073","MoKα","","0.0758","0.0458","","","0.1009","0.1147","","","","","","1.02","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122884","9.7425","0.0002","13.7693","0.0004","20.5477","0.0006","90","","90","","90","","2756.42","0.13","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Cl2 N2 O2 Pt S -","- C27 H36 Cl2 N2 O2 Pt S -","- C108 H144 Cl8 N8 O8 Pt4 S4 -","4","1","","Miura, Tomoya; Nakamuro, Takayuki; Liang, Chia-Jung; Murakami, Masahiro","Synthesis of trans-Cycloalkenes via Enantioselective Cyclopropanation and Skeletal Rearrangement.","Journal of the American Chemical Society","2014","","","141031153715006","","10.1021/ja5096045","","","0.71075","MoKα","","0.0352","0.0332","","","0.0702","0.0713","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122885","7.1607","0.0008","10.3859","0.0011","11.0559","0.0012","109.592","0.002","102.758","0.002","94.887","0.002","744.07","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C28 H42 N2 O4 S2 -","2","2","","Yu, Chang-Bin; Huang, Wen-Xue; Shi, Lei; Chen, Mu-Wang; Wu, Bo; Zhou, Yong-Gui","Asymmetric Hydrogenation via Capture of Active Intermediates Generated from Aza-Pinacol Rearrangement.","Journal of the American Chemical Society","2014","","","141103063712008","","10.1021/ja5075745","","","0.71073","MoKα","","0.0558","0.0471","","","0.1264","0.1348","","","","","","1.022","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122886","10.0319","0.0005","17.4127","0.0008","11.7886","0.0006","90","","110.653","0.003","90","","1926.92","0.17","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","","Hoshimoto, Yoichi; Ohata, Tomoya; Sasaoka, Yukari; Ohashi, Masato; Ogoshi, Sensuke","Nickel(0)-Catalyzed [2 + 2 + 1] Carbonylative Cycloaddition of Imines and Alkynes or Norbornene Leading to γ-Lactams.","Journal of the American Chemical Society","2014","","","141104082258000","","10.1021/ja509171a","","","1.54187","CuKα","","","0.0485","","","","0.138","","","","","","1.102","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122887","17.052","0.004","15.401","0.003","20.091","0.006","90","","98.56","0.011","90","","5217","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 N Ru2 S -","- C27 H35 N Ru2 S -","- C216 H280 N8 Ru16 S8 -","8","2","","Takemoto, Shin; Ohata, Jun; Umetani, Kento; Yamaguchi, Masahiro; Matsuzaka, Hiroyuki","A Diruthenium μ-Carbido Complex That Shows Singlet-Carbene-Like Reactivity.","Journal of the American Chemical Society","2014","","","141104122937002","","10.1021/ja509364d","","","0.71075","MoKα","","0.2255","0.0812","","","0.1309","0.177","","","","","","0.933","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122888","17.093","0.006","15.377","0.005","20.122","0.005","90","","98.35","0.012","90","","5233","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 N Ru2 Se -","- C27 H35 N Ru2 Se -","- C216 H280 N8 Ru16 Se8 -","8","2","","Takemoto, Shin; Ohata, Jun; Umetani, Kento; Yamaguchi, Masahiro; Matsuzaka, Hiroyuki","A Diruthenium μ-Carbido Complex That Shows Singlet-Carbene-Like Reactivity.","Journal of the American Chemical Society","2014","","","141104122937002","","10.1021/ja509364d","","","0.71075","MoKα","","0.2073","0.0943","","","0.2169","0.2654","","","","","","0.993","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122889","11.013","0.008","11.881","0.012","13.538","0.011","73.53","0.03","71.1","0.03","76.21","0.03","1586","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H35 N O2 Ru2 -","- C28 H35 N O2 Ru2 -","- C56 H70 N2 O4 Ru4 -","2","1","","Takemoto, Shin; Ohata, Jun; Umetani, Kento; Yamaguchi, Masahiro; Matsuzaka, Hiroyuki","A Diruthenium μ-Carbido Complex That Shows Singlet-Carbene-Like Reactivity.","Journal of the American Chemical Society","2014","","","141104122937002","","10.1021/ja509364d","","","0.71075","MoKα","","0.2479","0.1206","","","0.2973","0.3783","","","","","","0.985","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122890","16.264","0.006","15.01","0.004","25.756","0.006","90","","103.844","0.013","90","","6105","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H44 N O3 P Ru2 -","- C30 H35 N O3 P Ru2 -","- C240 H280 N8 O24 P8 Ru16 -","8","1","","Takemoto, Shin; Ohata, Jun; Umetani, Kento; Yamaguchi, Masahiro; Matsuzaka, Hiroyuki","A Diruthenium μ-Carbido Complex That Shows Singlet-Carbene-Like Reactivity.","Journal of the American Chemical Society","2014","","","141104122937002","","10.1021/ja509364d","","","0.71075","MoKα","","0.042","0.0322","","","0.0842","0.0897","","","","","","1.048","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122891","16.508","0.0006","9.0189","0.0004","20.058","0.0008","90","","104.827","0.004","90","","2886.9","0.2","101","2","101","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H39 Br O3 -","- C32 H39 Br O3 -","- C128 H156 Br4 O12 -","4","2","","Caruana, Lorenzo; Kniep, Florian; Johansen, Tore Kiilerich; Poulsen, Pernille H.; Jørgensen, Karl Anker","A New Organocatalytic Concept for Asymmetric α-Alkylation of Aldehydes.","Journal of the American Chemical Society","2014","","","141104124641007","","10.1021/ja510475n","","x-ray","0.71073","MoKα","","0.0974","0.0565","","","0.1144","0.135","","","","","","1.0644","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122892","13.212","0.003","37.811","0.008","10.198","0.002","90","","109.57","0.03","90","","4800","2","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H44 Cl N5 O2 S5 -","- C44.5 H44 Cl N5 O2 S5 -","- C178 H176 Cl4 N20 O8 S20 -","4","0.5","","Zhang, Cheng; Zang, Yaping; Gann, Eliot; McNeill, Christopher R.; Zhu, Xiaozhang; Di, Chong-An; Zhu, Daoben","Two-Dimensional π-Expanded Quinoidal Terthiophenes Terminated with Dicyanomethylenes as n-Type Semiconductors for High-Performance Organic Thin-Film Transistors.","Journal of the American Chemical Society","2014","","","141106072905001","","10.1021/ja510003y","","","0.71073","MoKα","","0.1704","0.1514","","","0.4288","0.4522","","","","","","1.808","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122893","10.3939","0.0009","4.6419","0.0002","11.1181","0.0009","90","","101.161","0.007","90","","526.27","0.07","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Methylammonium Lead Iodide Hydrate","","","- C H8 I3 N O Pb -","- C H8 I3 N O Pb -","- C2 H16 I6 N2 O2 Pb2 -","2","0.5","","Hao, Feng; Stoumpos, Constantinos C.; Liu, Zhao; Chang, Robert P. H.; Kanatzidis, Mercouri G.","Controllable Perovskite Crystallization at a Gas‒Solid Interface for Hole Conductor-Free Solar Cells with Steady Power Conversion Efficiency over 10%","Journal of the American Chemical Society","2014","","","141106073145004","","10.1021/ja509245x","","","0.71073","MoKα","","0.0313","0.0254","","","0.0495","0.0506","","","","","","1.021","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122894","4.576","0.0002","25.493","0.0017","12.2186","0.0006","90","","96.065","0.004","90","","1417.39","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Methylammonium Lead Iodide DMF solvate","","","- C4 H13 I3 N2 O Pb -","- C4 H13 I3 N2 O Pb -","- C16 H52 I12 N8 O4 Pb4 -","4","1","","Hao, Feng; Stoumpos, Constantinos C.; Liu, Zhao; Chang, Robert P. H.; Kanatzidis, Mercouri G.","Controllable Perovskite Crystallization at a Gas‒Solid Interface for Hole Conductor-Free Solar Cells with Steady Power Conversion Efficiency over 10%","Journal of the American Chemical Society","2014","","","141106073145004","","10.1021/ja509245x","","","0.71073","MoKα","","0.0626","0.048","","","0.0804","0.0847","","","","","","1.156","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122895","11.298","0.002","13.599","0.003","13.964","0.003","75.51","0.03","86.77","0.03","69.05","0.03","1938.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H39 N4 O5 Pt S2 -","- C41 H39 N4 O5 Pt S2 -","- C82 H78 N8 O10 Pt2 S4 -","2","1","","Browning, Charles; Hudson, Joshua M.; Reinheimer, Eric W.; Kuo, Fang-Ling; McDougald, Jr, Roy N; Rabaâ, Hassan; Pan, Hongjun; Bacsa, John; Wang, Xiaoping; Dunbar, Kim R.; Shepherd, Nigel D.; Omary, Mohammad A.","Synthesis, Spectroscopic Properties, and Photoconductivity of Black Absorbers Consisting of Pt(Bipyridine)(Dithiolate) Charge Transfer Complexes in the Presence and Absence of Nitrofluorenone Acceptors.","Journal of the American Chemical Society","2014","","","141107065104007","","10.1021/ja506583k","","","0.71073","MoKα","","0.0475","0.0352","","","0.0813","0.1032","","","","","","1.099","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122896","52.43","0.006","48.844","0.006","6.7985","0.0008","90","","90","","90","","17410","4","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C44 H41 N5 O7 Pt S2 -","- C44 H41 N5 O7 Pt S2 -","- C704 H656 N80 O112 Pt16 S32 -","16","1","","Browning, Charles; Hudson, Joshua M.; Reinheimer, Eric W.; Kuo, Fang-Ling; McDougald, Jr, Roy N; Rabaâ, Hassan; Pan, Hongjun; Bacsa, John; Wang, Xiaoping; Dunbar, Kim R.; Shepherd, Nigel D.; Omary, Mohammad A.","Synthesis, Spectroscopic Properties, and Photoconductivity of Black Absorbers Consisting of Pt(Bipyridine)(Dithiolate) Charge Transfer Complexes in the Presence and Absence of Nitrofluorenone Acceptors.","Journal of the American Chemical Society","2014","","","141107065104007","","10.1021/ja506583k","","","1.54108","CuKα","","0.0701","0.0556","","","0.1371","0.1438","","","","","","1.017","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122897","11.257","0.002","26.004","0.005","24.165","0.005","90","","92.19","0.03","90","","7069","2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H76 N8 O9 Pt2 S4 -","- C75 H76 N8 O9 Pt2 S4 -","- C300 H304 N32 O36 Pt8 S16 -","4","1","","Browning, Charles; Hudson, Joshua M.; Reinheimer, Eric W.; Kuo, Fang-Ling; McDougald, Jr, Roy N; Rabaâ, Hassan; Pan, Hongjun; Bacsa, John; Wang, Xiaoping; Dunbar, Kim R.; Shepherd, Nigel D.; Omary, Mohammad A.","Synthesis, Spectroscopic Properties, and Photoconductivity of Black Absorbers Consisting of Pt(Bipyridine)(Dithiolate) Charge Transfer Complexes in the Presence and Absence of Nitrofluorenone Acceptors.","Journal of the American Chemical Society","2014","","","141107065104007","","10.1021/ja506583k","","","1.54184","CuKα","","0.2769","0.0931","","","0.1707","0.2442","","","","","","0.919","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122898","23.128","0.002","7.164","0.0006","25.474","0.002","90","","109.19","0.001","90","","3986.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Pt(tdt)(dbbpy)[TENF], 0.5benzene","{(3,4-Toluenedithiolato)-(4,4'-di-t-butyl-2,2'-bipyridine)-platinum(ii)} {2,4,5,7-Tetranitro-9-fluorenone}, half benzene solvate","","- C41 H37 N6 O9 Pt S2 -","- C41 H37 N6 O9 Pt S2 -","- C164 H148 N24 O36 Pt4 S8 -","4","1","","Browning, Charles; Hudson, Joshua M.; Reinheimer, Eric W.; Kuo, Fang-Ling; McDougald, Jr, Roy N; Rabaâ, Hassan; Pan, Hongjun; Bacsa, John; Wang, Xiaoping; Dunbar, Kim R.; Shepherd, Nigel D.; Omary, Mohammad A.","Synthesis, Spectroscopic Properties, and Photoconductivity of Black Absorbers Consisting of Pt(Bipyridine)(Dithiolate) Charge Transfer Complexes in the Presence and Absence of Nitrofluorenone Acceptors.","Journal of the American Chemical Society","2014","","","141107065104007","","10.1021/ja506583k","","","0.71073","MoKα","","0.0833","0.048","","","0.1076","0.1236","","","","","","1.041","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122899","15.657","0.009","20.034","0.011","26.302","0.015","90","","90","","90","","8250","8","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C96 H77 O3 -","- C96 H77 O3 -","- C384 H308 O12 -","4","1","","Matsui, Katsuma; Segawa, Yasutomo; Itami, Kenichiro","All-Benzene Carbon Nanocages: Size-Selective Synthesis, Photophysical Properties, and Crystal Structure.","Journal of the American Chemical Society","2014","","","141107064945005","","10.1021/ja509880v","","","0.71075","MoKα","","0.2632","0.1884","","","0.3944","0.447","","","","","","1.253","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122900","16.9594","0.0002","12.7408","0.0002","7.244","0.0001","90","","94.125","0.001","90","","1561.2","0.04","173","2","172.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 B F2 N4 O -","- C18 H13 B F2 N4 O -","- C72 H52 B4 F8 N16 O4 -","4","1","","Yang, Yin; Hughes, Russell P.; Aprahamian, Ivan","Near-infrared light activated azo-BF2 switches.","Journal of the American Chemical Society","2014","136","38","13190","13193","10.1021/ja508125n","","","1.54178","CuKα","","0.0372","0.0315","","","0.0877","0.0923","","","","","","1.037","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122901","17.6056","0.0013","13.5354","0.001","7.3372","0.0005","90","","100.304","0.001","90","","1720.2","0.2","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 B F2 N5 -","- C19 H16 B F2 N5 -","- C76 H64 B4 F8 N20 -","4","1","","Yang, Yin; Hughes, Russell P.; Aprahamian, Ivan","Near-infrared light activated azo-BF2 switches.","Journal of the American Chemical Society","2014","136","38","13190","13193","10.1021/ja508125n","","","0.71073","MoKα","","0.0538","0.0365","","","0.0874","0.0954","","","","","","1.05","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122902","20.291","0.003","10.2096","0.0016","17.982","0.003","90","","100.078","0.004","90","","3667.7","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H43 P3 Ru -","- C45 H43 P3 Ru -","- C180 H172 P12 Ru4 -","4","1","","vom Stein, Thorsten; Meuresch, Markus; Limper, Dominik; Schmitz, Marc; Hölscher, Markus; Coetzee, Jacorien; Cole-Hamilton, David J; Klankermayer, Jürgen; Leitner, Walter","Highly versatile catalytic hydrogenation of carboxylic and carbonic acid derivatives using a Ru-triphos complex: molecular control over selectivity and substrate scope.","Journal of the American Chemical Society","2014","136","38","13217","13225","10.1021/ja506023f","","","0.71073","MoKα","","0.1051","0.0641","","","0.1246","0.141","","","","","","1.03","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122903","10.4626","0.0005","12.8543","0.0006","18.3722","0.001","101.602","0.001","95.897","0.001","106.666","0.001","2284.6","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H18 O2 -","- C32 H18 O2 -","- C128 H72 O8 -","4","2","","Thapaliya, Ek Raj; Swaminathan, Subramani; Captain, Burjor; Raymo, Françisco M","Autocatalytic fluorescence photoactivation.","Journal of the American Chemical Society","2014","136","39","13798","13804","10.1021/ja5068383","","","0.71073","MoKα","","0.0604","0.0467","","","0.117","0.1273","","","","","","1.024","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122904","8.6876","0.0004","14.2494","0.0007","9.2839","0.0005","90","","97.417","0.001","90","","1139.67","0.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Thapaliya, Ek Raj; Swaminathan, Subramani; Captain, Burjor; Raymo, Françisco M","Autocatalytic fluorescence photoactivation.","Journal of the American Chemical Society","2014","136","39","13798","13804","10.1021/ja5068383","","","0.71073","MoKα","","0.045","0.0386","","","0.0917","0.0975","","","","","","1.03","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122905","11.7514","0.0004","16.2204","0.0005","19.154","0.0006","90","","100.142","0.003","90","","3593.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 B2 F12 Fe N6 -","- C37 H28 B2 F12 Fe N6 -","- C148 H112 B8 F48 Fe4 N24 -","4","1","","Sahu, Sumit; Quesne, Matthew G.; Davies, Casey G.; Dürr, Maximilian; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; de Visser, Sam P.; Goldberg, David P.","Direct Observation of a Nonheme Iron(IV)-Oxo Complex That Mediates Aromatic C-F Hydroxylation.","Journal of the American Chemical Society","2014","136","39","13542","13545","10.1021/ja507346t","","","1.54178","CuKα","","0.0347","0.0319","","","0.081","0.0828","","","","","","1.04","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122906","7.2422","0.0001","9.7575","0.0001","20.2541","0.0003","90","","90","","90","","1431.27","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Yeung, Charles S.; Ziegler, Robert E.; Porco, Jr, John A; Jacobsen, Eric N.","Thiourea-catalyzed enantioselective addition of indoles to pyrones: alkaloid cores with quaternary carbons.","Journal of the American Chemical Society","2014","136","39","13614","13617","10.1021/ja508523g","","","1.54178","CuKα","","0.0233","0.0226","","","0.0537","0.0543","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122907","14.683","0.006","10.965","0.004","24.216","0.009","90","","90","","90","","3899","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H24 N4 S2 -","- C19 H24 N4 S2 -","- C152 H192 N32 S16 -","8","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.1204","0.0726","","","0.1558","0.1774","","","","","","1.061","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122908","11.1337","0.001","18.7761","0.0017","33.96","0.003","96.441","0.002","97.22","0.002","106.428","0.002","6673.5","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H74.5 B4 F16 Ir2 N8.5 O2 S4 -","- C52 H66 B3 F12 Ir2 N8 S4 -","- C208 H264 B12 F48 Ir8 N32 S16 -","4","2","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.1122","0.0719","","","0.2102","0.2364","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122909","12.2748","0.0009","16.6642","0.0012","18.5597","0.0013","105.517","0.001","106.117","0.001","106.425","0.001","3242.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H78 Ir2 N12 O15 S4 -","- C55 H66 Ir2 N12 O15 S4 -","- C110 H132 Ir4 N24 O30 S8 -","2","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0565","0.0384","","","0.1152","0.1494","","","","","","1.072","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122910","12.2035","0.001","17.833","0.0015","19.246","0.003","105.581","0.002","97.204","0.002","109.42","0.001","3697.2","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H74 F12 Ir2 N8 O14 S8 -","- C57 H66 F12 Ir2 N8 O13 S8 -","- C114 H132 F24 Ir4 N16 O26 S16 -","2","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0771","0.0582","","","0.1685","0.1915","","","","","","1.033","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122911","12.188","0.0009","17.8414","0.0013","19.1883","0.0014","69.735","0.001","83.044","0.001","70.324","0.001","3685.6","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H74 F12 N8 O14 Rh2 S8 -","- C57 H66 F12 N8 O13 Rh2 S8 -","- C114 H132 F24 N16 O26 Rh4 S16 -","2","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0728","0.0556","","","0.1797","0.2164","","","","","","1.022","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122912","16.7688","0.001","29.1467","0.0018","16.8413","0.001","90","","115.984","0.001","90","","7399.2","0.8","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H78 Cl2 F6 Ir2 N8 O6 S6 -","- C60 H78 Cl2 F6 Ir2 N8 O6 S6 -","- C240 H312 Cl8 F24 Ir8 N32 O24 S24 -","4","0.5","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0236","0.0201","","","0.0569","0.0598","","","","","","1.087","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122913","12.2074","0.0008","12.2637","0.0008","15.7816","0.0011","98.588","0.001","96.339","0.001","108.62","0.001","2182.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H96 F12 Ir2 N10 O14 S8 -","- C74 H96 F12 Ir2 N10 O14 S8 -","- C74 H96 F12 Ir2 N10 O14 S8 -","1","0.5","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0696","0.0538","","","0.1661","0.2063","","","","","","1.135","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122914","14.1913","0.0009","27.0778","0.0018","20.2418","0.0013","90","","106.483","0.001","90","","7458.6","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H74 F12 Ir2 N8 O14 S8 -","- C58 H66 F12 Ir2 N8 O14 S8 -","- C232 H264 F48 Ir8 N32 O56 S32 -","4","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0442","0.031","","","0.0776","0.0818","","","","","","1.042","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122915","34.139","0.014","11.739","0.005","35.255","0.014","90","","108.581","0.006","90","","13392","10","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H62 F12 Ir2 N8 O12 S8 -","- C45 H62 F9 Ir2 N8 O9 S7 -","- C360 H496 F72 Ir16 N64 O72 S56 -","8","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.086","0.0397","","","0.0779","0.0824","","","","","","0.75","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122916","12.3964","0.0009","21.3342","0.0016","16.4768","0.0012","90","","99.555","0.001","90","","4297.1","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H90 F12 Ir2 N8 O16 S8 -","- C72 H74 F12 Ir2 N8 O12 S8 -","- C144 H148 F24 Ir4 N16 O24 S16 -","2","0.5","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.052","0.0356","","","0.0907","0.0964","","","","","","1.028","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122917","11.3564","0.001","27.465","0.003","13.0954","0.0012","90","","104.866","0.002","90","","3947.8","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H90 F12 Ir2 N8 O18 S8 -","- C56 H66 F12 Ir2 N8 O12 S8 -","- C112 H132 F24 Ir4 N16 O24 S16 -","2","0.5","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0772","0.0476","","","0.136","0.1563","","","","","","0.887","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122918","14.749","0.0012","15.4204","0.0013","22.4129","0.0018","86.922","0.001","72.937","0.002","83.271","0.002","4838.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H114 Ir2 N18 O19 S6 -","- C75 H98 Ir2 N17 O12 S6 -","- C150 H196 Ir4 N34 O24 S12 -","2","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.1099","0.0578","","","0.1454","0.1837","","","","","","0.942","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122919","20.923","0.003","21.606","0.003","24.564","0.004","71.189","0.002","73.194","0.002","85.738","0.002","10060","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H105 Cl F12 Ir2 N12 O16.25 S10 -","- C78 H90 Cl F12 Ir2 N12 O16.25 S10 -","- C312 H360 Cl4 F48 Ir8 N48 O65 S40 -","4","2","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.1433","0.0964","","","0.2684","0.3046","","","","","","1.056","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122920","7.4415","0.0011","12.3336","0.0019","13.172","0.002","90","","91.17","0.002","90","","1208.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C21 H33 F3 Ir2 O3 S -","- C21 H33 F3 Ir2 O3 S -","- C42 H66 F6 Ir4 O6 S2 -","2","0.5","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0245","0.0167","","","0.0372","0.0393","","","","","","1.085","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122921","15.7876","0.0013","16.5051","0.0014","24.296","0.002","80.297","0.001","78.457","0.001","65.489","0.001","5617.9","0.8","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H128 F12 Ir2 N12 O17 S10 -","- C87 H112 F12 Ir2 N12 O15 S10 -","- C174 H224 F24 Ir4 N24 O30 S20 -","2","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.1078","0.0675","","","0.1919","0.234","","","","","","0.98","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122922","19.579","0.007","20.736","0.008","28.869","0.011","90","","96.224","0.005","90","","11651","8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C93 H124 F12 Ir2 N12 O23 S10 -","- C89 H96 F9 Ir2 N12 O11 S9 -","- C356 H384 F36 Ir8 N48 O44 S36 -","4","1","","Han, Ying-Feng; Zhang, Long; Weng, Lin-Hong; Jin, Guo-Xin","H2-Initiated Reversible Switching between Two-Dimensional Metallacycles and Three-Dimensional Cylinders.","Journal of the American Chemical Society","2014","136","41","14608","","10.1021/ja508543y","","","0.71073","MoKα","","0.0989","0.0489","","","0.1085","0.1178","","","","","","0.795","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122923","4.9777","0.0004","9.2119","0.0007","21.6756","0.0018","90","","90","","90","","993.91","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ZW05163","toste107","","- C10 H10 Br F O -","- C10 H10 Br F O -","- C40 H40 Br4 F4 O4 -","4","1","","Zi, Weiwei; Wang, Yi-Ming; Toste, F. Dean","An in situ directing group strategy for chiral anion phase-transfer fluorination of allylic alcohols.","Journal of the American Chemical Society","2014","136","37","12864","12867","10.1021/ja507468u","","","1.54178","CuKα","","0.1288","0.1034","","","0.2596","0.2816","","","","","","1.066","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4122924","10.7782","0.0006","12.1739","0.0006","17.5944","0.001","72.345","0.003","89.877","0.003","80.812","0.003","2169","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H48 Cl2 N5 O5 Rh -","- C47 H48 Cl2 N5 O5 Rh -","- C94 H96 Cl4 N10 O10 Rh2 -","2","1","","Komor, Alexis C.; Barton, Jacqueline K.","An Unusual Ligand Coordination Gives Rise to a New Family of Rhodium Metalloinsertors with Improved Selectivity and Potency.","Journal of the American Chemical Society","2014","136","40","14160","","10.1021/ja5072064","","","0.71073","MoKα","","0.0499","0.0372","","","0.0859","0.0919","","","","","","1.055","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122925","9.1633","0.0011","15.4046","0.0019","16.791","0.002","110.881","0.002","94.61","0.002","105.705","0.002","2090.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H48 Cl2 N5 O3 Rh -","- C45 H48 Cl2 N5 O3 Rh -","- C90 H96 Cl4 N10 O6 Rh2 -","2","1","","Komor, Alexis C.; Barton, Jacqueline K.","An Unusual Ligand Coordination Gives Rise to a New Family of Rhodium Metalloinsertors with Improved Selectivity and Potency.","Journal of the American Chemical Society","2014","136","40","14160","","10.1021/ja5072064","","","0.71073","MoKα","","0.0387","0.0308","","","0.0703","0.075","","","","","","1.112","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122926","9.6145","0.0008","15.7645","0.0013","16.8583","0.0014","64.434","0.004","85.049","0.004","73.491","0.004","2208","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H47 Cl2 N6 O5 Rh -","- C45.998 H46.994 Cl2 N6 O4.999 Rh -","- C91.996 H93.988 Cl4 N12 O9.998 Rh2 -","2","1","","Komor, Alexis C.; Barton, Jacqueline K.","An Unusual Ligand Coordination Gives Rise to a New Family of Rhodium Metalloinsertors with Improved Selectivity and Potency.","Journal of the American Chemical Society","2014","136","40","14160","","10.1021/ja5072064","","","0.71073","MoKα","","0.0468","0.0418","","","0.105","0.111","","","","","","1.12","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122927","9.4383","0.0004","25.4636","0.001","16.6094","0.0006","90","","96.746","0.002","90","","3964.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H43 Cl2 N8 O3 Rh -","- C42 H43 Cl2 N8 O3 Rh -","- C168 H172 Cl8 N32 O12 Rh4 -","4","1","","Komor, Alexis C.; Barton, Jacqueline K.","An Unusual Ligand Coordination Gives Rise to a New Family of Rhodium Metalloinsertors with Improved Selectivity and Potency.","Journal of the American Chemical Society","2014","136","40","14160","","10.1021/ja5072064","","","0.71073","MoKα","","0.0371","0.0284","","","0.0641","0.0677","","","","","","1.035","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122928","13.3281","0.0002","8.6447","0.0001","16.5817","0.0003","90","","110.91","0.001","90","","1784.68","0.05","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O -","- C22 H24 O -","- C88 H96 O4 -","4","1","","Wu, Yen-Ku; Dunbar, Christine R.; McDonald, Robert; Ferguson, Michael J.; West, F. G.","Experimental and Computational Studies on Interrupted Nazarov Reactions: Exploration of Umpolung Reactivity at the α-Carbon of Cyclopentanones.","Journal of the American Chemical Society","2014","136","42","14903","14911","10.1021/ja507638r","","","1.54178","CuKα","","0.0472","0.0452","","","0.1205","0.1225","","","","","","1.053","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122929","11.1819","0.0007","8.2935","0.0005","18.6856","0.0012","90","","92.4596","0.0008","90","","1731.25","0.19","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","1","","Wu, Yen-Ku; Dunbar, Christine R.; McDonald, Robert; Ferguson, Michael J.; West, F. G.","Experimental and Computational Studies on Interrupted Nazarov Reactions: Exploration of Umpolung Reactivity at the α-Carbon of Cyclopentanones.","Journal of the American Chemical Society","2014","136","42","14903","14911","10.1021/ja507638r","","","0.71073","MoKα","","0.053","0.0404","","","0.0962","0.104","","","","","","1.048","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122930","8.8571","0.0006","26.3976","0.0017","8.4439","0.0005","90","","110.755","0.0008","90","","1846.1","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","1","","Wu, Yen-Ku; Dunbar, Christine R.; McDonald, Robert; Ferguson, Michael J.; West, F. G.","Experimental and Computational Studies on Interrupted Nazarov Reactions: Exploration of Umpolung Reactivity at the α-Carbon of Cyclopentanones.","Journal of the American Chemical Society","2014","136","42","14903","14911","10.1021/ja507638r","","","0.71073","MoKα","","0.0598","0.0441","","","0.1098","0.1193","","","","","","1.041","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122931","29.7494","0.0013","11.8562","0.0005","16.1391","0.0007","90","","114.441","0.001","90","","5182.4","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H31 N O -","- C34 H31 N O -","- C272 H248 N8 O8 -","8","1","","Wu, Yen-Ku; Dunbar, Christine R.; McDonald, Robert; Ferguson, Michael J.; West, F. G.","Experimental and Computational Studies on Interrupted Nazarov Reactions: Exploration of Umpolung Reactivity at the α-Carbon of Cyclopentanones.","Journal of the American Chemical Society","2014","136","42","14903","14911","10.1021/ja507638r","","","0.71073","MoKα","","0.0779","0.044","","","0.0984","0.1163","","","","","","1.024","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122932","10.6991","0.0002","16.9663","0.0002","18.5203","0.0003","90","","105.031","0.0005","90","","3246.86","0.09","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 O3 -","- C42 H40 O3 -","- C168 H160 O12 -","4","0.5","","Wu, Yen-Ku; Dunbar, Christine R.; McDonald, Robert; Ferguson, Michael J.; West, F. G.","Experimental and Computational Studies on Interrupted Nazarov Reactions: Exploration of Umpolung Reactivity at the α-Carbon of Cyclopentanones.","Journal of the American Chemical Society","2014","136","42","14903","14911","10.1021/ja507638r","","","1.54178","CuKα","","0.036","0.0352","","","0.0876","0.0882","","","","","","1.046","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122933","7.2488","0.0009","11.4291","0.0013","12.5189","0.0015","90","","105.968","0.003","90","","997.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 Br O4 Si -","- C17 H27 Br O4 Si -","- C34 H54 Br2 O8 Si2 -","2","1","","Li, Jian; Yang, Peng; Yao, Ming; Deng, Jun; Li, Ang","Total Synthesis of Rubriflordilactone A.","Journal of the American Chemical Society","2014","","","141113160240003","","10.1021/ja5092563","","","0.71073","MoKα","","0.0824","0.0531","","","0.1356","0.1521","","","","","","1.017","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122934","6.7558","0.0015","8.971","0.002","12.667","0.003","104.136","0.004","94.884","0.005","93.828","0.005","738.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C34 H34 Br2 O6 -","2","1","","Li, Jian; Yang, Peng; Yao, Ming; Deng, Jun; Li, Ang","Total Synthesis of Rubriflordilactone A.","Journal of the American Chemical Society","2014","","","141113160240003","","10.1021/ja5092563","","","0.71073","MoKα","","0.074","0.0608","","","0.1748","0.1835","","","","","","1.039","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122935","5.7402","0.0004","14.357","0.001","22.6404","0.0017","90","","90","","90","","1865.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br O2 Se -","- C22 H19 Br O2 Se -","- C88 H76 Br4 O8 Se4 -","4","1","","Zhang, Hu; Lin, Song; Jacobsen, Eric N.","Enantioselective Selenocyclization via Dynamic Kinetic Resolution of Seleniranium Ions by Hydrogen-Bond Donor Catalysts.","Journal of the American Chemical Society","2014","","","141112110859008","","10.1021/ja510113s","","","0.71073","MoKα","","0.024","0.0205","","","0.0435","0.0444","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122936","13.78","0.003","16.661","0.003","19.202","0.004","104.86","0.03","106.47","0.03","104.87","0.03","3820","2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","Cu(2,7-AQDC)","Copper 2,7-anthraquinone dicarboxylate","","- C16 H6 Cu O6 -","- C16 H6 Cu O6 -","- C96 H36 Cu6 O36 -","6","3","","Zhang, Zhongyue; Yoshikawa, Hirofumi; Awaga, Kunio","Monitoring the Solid-State Electrochemistry of Cu(2,7-AQDC) (AQDC = Anthraquinone Dicarboxylate) in a Lithium Battery: Coexistence of Metal and Ligand Redox Activities in a Metal-Organic Framework.","Journal of the American Chemical Society","2014","","","141110144839000","","10.1021/ja508197w","","","0.71073","MoKα","","0.1757","0.089","","","0.2267","0.2646","","","","","","0.846","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122937","18.804","0.008","20.072","0.009","20.265","0.009","90.33","0.05","108.89","0.05","117.02","0.05","6340","6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C157 H161 N7 O14 -","- C157 H161 N7 O14 -","- C314 H322 N14 O28 -","2","1","","Gońka, Elżbieta; Chmielewski, Piotr J.; Lis, Tadeusz; Stępień, Marcin","Expanded Hexapyrrolohexaazacoronenes. Near-Infrared Absorbing Chromophores with Interrupted Peripheral Conjugation.","Journal of the American Chemical Society","2014","","","141110133001000","","10.1021/ja508963v","","","1.5418","CuKα","","0.338","0.1189","","","0.171","0.1985","","","","","","1.066","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122938","10.128","0.004","17.189","0.006","22.208","0.009","86.63","0.05","83.05","0.05","77.62","0.05","3746","3","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","","","- C172 H192 Cl4 N8 O16 -","- C171.998 H192 Cl4 N8 O16 -","- C171.998 H192 Cl4 N8 O16 -","1","0.5","","Gońka, Elżbieta; Chmielewski, Piotr J.; Lis, Tadeusz; Stępień, Marcin","Expanded Hexapyrrolohexaazacoronenes. Near-Infrared Absorbing Chromophores with Interrupted Peripheral Conjugation.","Journal of the American Chemical Society","2014","","","141110133001000","","10.1021/ja508963v","","","0.71073","MoKα","","0.4847","0.1155","","","0.1495","0.2647","","","","","","0.869","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122939","15.7472","0.001","16.1193","0.0013","16.2046","0.0012","119.442","0.004","100.225","0.003","92.957","0.004","3478.6","0.5","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- C66 H54 Br6 N6 O12 -","- C66 H54 Br6 N6 O12 -","- C132 H108 Br12 N12 O24 -","2","2","","Liu, Zhichang; Liu, Guoliang; Wu, Yilei; Cao, Dennis; Sun, Junling; Schneebeli, Severin T.; Nassar, Majed S.; Mirkin, Chad A.; Stoddart, J. Fraser","Assembly of Supramolecular Nanotubes from Molecular Triangles and 1,2-Dihalohydrocarbons.","Journal of the American Chemical Society","2014","","","141114095931006","","10.1021/ja509480u","","","1.54178","CuKα","","0.1084","0.0968","","","0.2768","0.2928","","","","","","1.278","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122940","15.7342","0.0006","16.0668","0.0006","16.1856","0.0006","119.55","0.0016","100.205","0.0018","92.9355","0.0018","3457","0.2","100","2","99.97","","","","","","","","","5","P 1","P 1","1","","","","- C66 H54 Br6 N6 O12 -","- C66 H54 Br6 N6 O12 -","- C132 H108 Br12 N12 O24 -","2","2","","Liu, Zhichang; Liu, Guoliang; Wu, Yilei; Cao, Dennis; Sun, Junling; Schneebeli, Severin T.; Nassar, Majed S.; Mirkin, Chad A.; Stoddart, J. Fraser","Assembly of Supramolecular Nanotubes from Molecular Triangles and 1,2-Dihalohydrocarbons.","Journal of the American Chemical Society","2014","","","141114095931006","","10.1021/ja509480u","","","1.54178","CuKα","","0.0543","0.0525","","","0.1458","0.1478","","","","","","1.057","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122941","46.2752","0.0015","16.1173","0.0005","40.4255","0.0014","90","","90.025","0.002","90","","30150.6","1.7","100","2","100.07","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C61 H44 Cl N6 O12 -","- C61 H44 Cl N6 O12 -","- C976 H704 Cl16 N96 O192 -","16","4","","Liu, Zhichang; Liu, Guoliang; Wu, Yilei; Cao, Dennis; Sun, Junling; Schneebeli, Severin T.; Nassar, Majed S.; Mirkin, Chad A.; Stoddart, J. Fraser","Assembly of Supramolecular Nanotubes from Molecular Triangles and 1,2-Dihalohydrocarbons.","Journal of the American Chemical Society","2014","","","141114095931006","","10.1021/ja509480u","","","1.54178","CuKα","","0.085","0.0651","","","0.1802","0.1923","","","","","","1.021","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122942","46.8926","0.0008","16.3192","0.0003","40.7083","0.0007","90","","90.6571","0.0012","90","","31150","0.9","240","2","240","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C60 H42 N6 O12 -","- C60 H42 N6 O12 -","- C960 H672 N96 O192 -","16","4","","Liu, Zhichang; Liu, Guoliang; Wu, Yilei; Cao, Dennis; Sun, Junling; Schneebeli, Severin T.; Nassar, Majed S.; Mirkin, Chad A.; Stoddart, J. Fraser","Assembly of Supramolecular Nanotubes from Molecular Triangles and 1,2-Dihalohydrocarbons.","Journal of the American Chemical Society","2014","","","141114095931006","","10.1021/ja509480u","","","1.54178","CuKα","","0.0765","0.0523","","","0.1349","0.144","","","","","","0.979","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122943","7.6581","0.0005","10.9491","0.0008","11.8918","0.0009","76.1231","0.0019","82.045","0.003","70.7134","0.0018","911.78","0.11","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C38 H38 Br2 O4 -","2","2","","Yamamoto, Eiji; Takenouchi, Yuta; Ozaki, Taichi; Miya, Takanori; Ito, Hajime","Copper(I)-Catalyzed Enantioselective Synthesis of α-Chiral Linear or Carbocyclic (E)-(γ-Alkoxyallyl)boronates.","Journal of the American Chemical Society","2014","","","141114100046006","","10.1021/ja506284w","","","0.71075","MoKα","","","0.0588","","","","0.1599","","","","","","1.134","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122944","7.8581","0.0012","7.9046","0.0012","11.4343","0.0019","74.344","0.004","87.755","0.004","65.93","0.003","622.39","0.17","123","","123","","","","","","","","","3","P 1","P 1","1","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C28 H36 O6 -","2","2","","Yamamoto, Eiji; Takenouchi, Yuta; Ozaki, Taichi; Miya, Takanori; Ito, Hajime","Copper(I)-Catalyzed Enantioselective Synthesis of α-Chiral Linear or Carbocyclic (E)-(γ-Alkoxyallyl)boronates.","Journal of the American Chemical Society","2014","","","141114100046006","","10.1021/ja506284w","","","0.71075","MoKα","","","0.0352","","","","0.1065","","","","","","1.086","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122945","11.5695","0.0009","6.0722","0.0004","15.1263","0.0009","90","","110.659","0.0017","90","","994.33","0.12","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C48 H56 O8 -","4","1","","Yamamoto, Eiji; Takenouchi, Yuta; Ozaki, Taichi; Miya, Takanori; Ito, Hajime","Copper(I)-Catalyzed Enantioselective Synthesis of α-Chiral Linear or Carbocyclic (E)-(γ-Alkoxyallyl)boronates.","Journal of the American Chemical Society","2014","","","141114100046006","","10.1021/ja506284w","","","0.71075","MoKα","","","0.0418","","","","0.1134","","","","","","1.075","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122946","9.0926","0.0007","10.6133","0.0008","9.8276","0.0008","90","","96.206","0.002","90","","942.83","0.13","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C46 H46 N6 O4 -","2","1","","Ruchti, Jonathan; Carreira, Erick M.","Ir-Catalyzed Reverse Prenylation of 3-Substituted Indoles: Total Synthesis of (+)-Aszonalenin and (-)-Brevicompanine B.","Journal of the American Chemical Society","2014","","","141119074653005","","10.1021/ja509893s","","x-ray","0.71073","MoKα","","0.0356","0.0341","","","0.0898","0.0911","","","","","","1.052","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122947","13.5108","0.0006","10.3083","0.0004","16.0724","0.0007","90","","121.932","0.003","90","","1899.73","0.15","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3a-(2-methylbut-3-en-2-yl)-1-tosyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole","","- C22 H26 N2 O2 S -","- C22 H26 N2 O2 S -","- C88 H104 N8 O8 S4 -","4","1","","Ruchti, Jonathan; Carreira, Erick M.","Ir-Catalyzed Reverse Prenylation of 3-Substituted Indoles: Total Synthesis of (+)-Aszonalenin and (-)-Brevicompanine B.","Journal of the American Chemical Society","2014","","","141119074653005","","10.1021/ja509893s","","x-ray","0.71073","MoKα","","0.051","0.0372","","","0.0856","0.0933","","","","","","1.042","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122948","11.0636","0.0004","12.5676","0.0004","12.9313","0.0004","63.123","0.001","88.225","0.001","88.28","0.001","1602.76","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H38 O6 -","- C42 H38 O6 -","- C84 H76 O12 -","2","1","","Mathew, Sanyo; Crandall, Laura A.; Ziegler, Christopher J.; Hartley, C. Scott","Enhanced Helical Folding of ortho-Phenylenes through the Control of Aromatic Stacking Interactions.","Journal of the American Chemical Society","2014","","","141117142844002","","10.1021/ja509902m","","","1.54178","CuKα","","0.0361","0.0355","","","0.1479","0.1492","","","","","","1.436","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122949","13.8491","0.0006","15.7919","0.0007","22.1467","0.0009","83.426","0.002","81.434","0.002","78.1","0.002","4669","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H32 F30 O30 S10 -","- C70 H32 F30 O30 S10 -","- C140 H64 F60 O60 S20 -","2","1","","Mathew, Sanyo; Crandall, Laura A.; Ziegler, Christopher J.; Hartley, C. Scott","Enhanced Helical Folding of ortho-Phenylenes through the Control of Aromatic Stacking Interactions.","Journal of the American Chemical Society","2014","","","141117142844002","","10.1021/ja509902m","","","1.54178","CuKα","","0.1018","0.0994","","","0.3719","0.3762","","","","","","1.87","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122950","12.2025","0.0005","13.7032","0.0005","22.3536","0.0009","80.895","0.002","81.765","0.002","76.661","0.002","3568.9","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C80 H62 O20 -","- C80 H62 O20 -","- C160 H124 O40 -","2","1","","Mathew, Sanyo; Crandall, Laura A.; Ziegler, Christopher J.; Hartley, C. Scott","Enhanced Helical Folding of ortho-Phenylenes through the Control of Aromatic Stacking Interactions.","Journal of the American Chemical Society","2014","","","141117142844002","","10.1021/ja509902m","","","1.54178","CuKα","","0.1065","0.0624","","","0.1791","0.2132","","","","","","1.191","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122951","12.4294","0.0013","22.99","0.003","23.405","0.003","90","","90","","90","","6688","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H26 F24 O24 S8 -","- C56 H26 F24 O24 S8 -","- C224 H104 F96 O96 S32 -","4","1","","Mathew, Sanyo; Crandall, Laura A.; Ziegler, Christopher J.; Hartley, C. Scott","Enhanced Helical Folding of ortho-Phenylenes through the Control of Aromatic Stacking Interactions.","Journal of the American Chemical Society","2014","","","141117142844002","","10.1021/ja509902m","","","0.71073","MoKα","","0.056","0.0477","","","0.1287","0.1367","","","","","","1.011","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122952","15.5769","0.0007","27.008","0.0012","30.9543","0.0013","90","","94.781","0.002","90","","12977.2","1","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C130 H122 B4 Co2 Fe2 N32 -","- C130 H122 B4 Co2 Fe2 N32 -","- C520 H488 B16 Co8 Fe8 N128 -","4","1","","Zhang, Yuan-Zhu; Ferko, Philip; Siretanu, Diana; Ababei, Rodica; Rath, Nigam P.; Shaw, Michael J.; Clérac, Rodolphe; Mathonière, Corine; Holmes, Stephen M.","Thermochromic and Photoresponsive Cyanometalate Fe/Co Squares: Toward Control of the Electron Transfer Temperature.","Journal of the American Chemical Society","2014","","","141119160917008","","10.1021/ja508280n","","","0.71073","MoKα","","0.1286","0.0636","","","0.1629","0.2044","","","","","","1.034","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122953","13.347","0.002","14.903","0.003","16.519","0.003","86.703","0.009","67.965","0.009","76.033","0.01","2953.7","0.9","240","2","240","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H120 B4 Co2 Fe4 N44 O12 -","- C100 H105.372 B4 Co2 Fe4 N44 O12 -","- C100 H105.372 B4 Co2 Fe4 N44 O12 -","1","0.5","","Zhang, Yuan-Zhu; Ferko, Philip; Siretanu, Diana; Ababei, Rodica; Rath, Nigam P.; Shaw, Michael J.; Clérac, Rodolphe; Mathonière, Corine; Holmes, Stephen M.","Thermochromic and Photoresponsive Cyanometalate Fe/Co Squares: Toward Control of the Electron Transfer Temperature.","Journal of the American Chemical Society","2014","","","141119160917008","","10.1021/ja508280n","","","0.71073","MoKα","","0.0997","0.0583","","","0.1433","0.1681","","","","","","1.018","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122954","15.2955","0.0009","26.6377","0.0015","30.6024","0.0018","90","","94.725","0.003","90","","12426.2","1.2","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C258 H245 B8 Co4 Fe4 N63 O2 -","- C258 H241 B8 Co4 Fe4 N63 O2 -","- C516 H482 B16 Co8 Fe8 N126 O4 -","2","0.5","","Zhang, Yuan-Zhu; Ferko, Philip; Siretanu, Diana; Ababei, Rodica; Rath, Nigam P.; Shaw, Michael J.; Clérac, Rodolphe; Mathonière, Corine; Holmes, Stephen M.","Thermochromic and Photoresponsive Cyanometalate Fe/Co Squares: Toward Control of the Electron Transfer Temperature.","Journal of the American Chemical Society","2014","","","141119160917008","","10.1021/ja508280n","","","0.71073","MoKα","","0.1972","0.0975","","","0.2293","0.2833","","","","","","1.027","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122955","9.7165","0.0001","17.1804","0.0002","18.738","0.0003","90","","93.3752","0.0006","90","","3122.57","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H90 B2 Fe2 N20 O9 -","- C46 H86 B2 Fe2 N20 O9 -","- C92 H172 B4 Fe4 N40 O18 -","2","0.5","","Zhang, Yuan-Zhu; Ferko, Philip; Siretanu, Diana; Ababei, Rodica; Rath, Nigam P.; Shaw, Michael J.; Clérac, Rodolphe; Mathonière, Corine; Holmes, Stephen M.","Thermochromic and Photoresponsive Cyanometalate Fe/Co Squares: Toward Control of the Electron Transfer Temperature.","Journal of the American Chemical Society","2014","","","141119160917008","","10.1021/ja508280n","","","0.71073","MoKα","","0.0784","0.0592","","","0.1572","0.1731","","","","","","1.022","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122956","15.2959","0.0007","26.6774","0.0011","30.6016","0.0013","90","","94.561","0.001","90","","12447.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C130 H122 B4 Co2 Fe2 N32 -","- C130 H122 B4 Co2 Fe2 N32 -","- C520 H488 B16 Co8 Fe8 N128 -","4","1","","Zhang, Yuan-Zhu; Ferko, Philip; Siretanu, Diana; Ababei, Rodica; Rath, Nigam P.; Shaw, Michael J.; Clérac, Rodolphe; Mathonière, Corine; Holmes, Stephen M.","Thermochromic and Photoresponsive Cyanometalate Fe/Co Squares: Toward Control of the Electron Transfer Temperature.","Journal of the American Chemical Society","2014","","","141119160917008","","10.1021/ja508280n","","","0.71073","MoKα","","0.1162","0.0781","","","0.1874","0.2113","","","","","","1.122","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122957","13.2136","0.0013","14.7388","0.0015","16.3368","0.0017","86.606","0.003","67.817","0.002","75.689","0.002","2852.6","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H120 B4 Co2 Fe4 N44 O12 -","- C100 H105.476 B4 Co2 Fe4 N44 O12 -","- C100 H105.476 B4 Co2 Fe4 N44 O12 -","1","0.5","","Zhang, Yuan-Zhu; Ferko, Philip; Siretanu, Diana; Ababei, Rodica; Rath, Nigam P.; Shaw, Michael J.; Clérac, Rodolphe; Mathonière, Corine; Holmes, Stephen M.","Thermochromic and Photoresponsive Cyanometalate Fe/Co Squares: Toward Control of the Electron Transfer Temperature.","Journal of the American Chemical Society","2014","","","141119160917008","","10.1021/ja508280n","","","0.71073","MoKα","","0.083","0.0535","","","0.1388","0.1529","","","","","","1.046","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122958","15.3435","0.0019","26.718","0.003","30.65","0.004","90","","94.612","0.005","90","","12524","3","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C258 H243 B8 Co4 Fe4 N63 O -","- C258 H241 B8 Co4 Fe4 N63 O -","- C516 H482 B16 Co8 Fe8 N126 O2 -","2","0.5","","Zhang, Yuan-Zhu; Ferko, Philip; Siretanu, Diana; Ababei, Rodica; Rath, Nigam P.; Shaw, Michael J.; Clérac, Rodolphe; Mathonière, Corine; Holmes, Stephen M.","Thermochromic and Photoresponsive Cyanometalate Fe/Co Squares: Toward Control of the Electron Transfer Temperature.","Journal of the American Chemical Society","2014","","","141119160917008","","10.1021/ja508280n","","","0.71073","MoKα","","0.2063","0.0943","","","0.2427","0.3008","","","","","","1.032","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122959","11.9646","0.001","20.1695","0.0017","16.2286","0.0014","90","","111.334","0.008","90","","3647.9","0.6","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H111 Fe3 N8 Na O2 -","- C80 H111 Fe3 N8 Na O2 -","- C160 H222 Fe6 N16 Na2 O4 -","2","1","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71075","MoKα","","0.1318","0.0819","","","0.1731","0.1992","","","","","","1.034","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122960","14.8536","0.0016","18.951","0.002","19.309","0.002","97.857","0.002","104.953","0.002","109.636","0.002","4794.5","0.9","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","holkg19","","","- C94 H122 Cl2 Fe4 N10 Rb2 -","- C94 H122 Cl2 Fe4 N10 Rb2 -","- C188 H244 Cl4 Fe8 N20 Rb4 -","2","1","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71073","MoKα","","0.0941","0.0516","","","0.1094","0.1216","","","","","","0.973","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122961","15.5032","0.0016","10.9819","0.0011","22.473","0.002","90","","94.767","0.002","90","","3812.9","0.6","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","holkg04","","","- C44 H54 Fe N4 -","- C44 H54 Fe N4 -","- C176 H216 Fe4 N16 -","4","1","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71073","MoKα","","0.1017","0.0547","","","0.1191","0.1402","","","","","","1.029","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122962","14.2235","0.0011","14.2235","0.0011","64.483","0.005","90","","90","","120","","11297.7","1.5","100","0.5","100","0.5","","","","","","","","6","R -3 c :H","-R 3 2""c","167","holkg14","","","- C66 H81 Cl Cs2 Fe3 N10 -","- C66 H81 Cl0.9999 Cs2 Fe3 N10.0002 -","- C396 H486 Cl5.9994 Cs12 Fe18 N60.0012 -","6","0.166667","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71073","MoKα","","0.0707","0.037","","","0.0911","0.1122","","","","","","1.021","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122963","14.202","0.003","14.202","0.003","64.058","0.015","90","","90","","120","","11189","4","100","0.5","100","0.5","","","","","","","","5","R -3 c :H","-R 3 2""c","167","holkg15","","","- C66 H81 Fe3 N12 Rb2 -","- C66 H81 Fe3 N12 Rb2 -","- C396 H486 Fe18 N72 Rb12 -","6","0.166667","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71073","MoKα","","0.1641","0.0912","","","0.2138","0.2472","","","","","","1.185","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122964","14.218","0.003","14.218","0.003","64.509","0.013","90","","90","","120","","11293","4","100","0.5","100","0.5","","","","","","","","5","R -3 c :H","-R 3 2""c","167","holkg16","","","- C66 H81 Cs2 Fe3 N12 -","- C66 H81 Cs2 Fe3 N12 -","- C396 H486 Cs12 Fe18 N72 -","6","0.166667","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71073","MoKα","","0.1091","0.0431","","","0.0925","0.1188","","","","","","0.998","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122965","12.577","0.002","13.577","0.002","13.373","0.002","90","","115.854","0.003","90","","2055","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","holmc22","","","- C44 H54 Cl2 Fe2 N4 -","- C44 H54 Cl2 Fe2 N4 -","- C88 H108 Cl4 Fe4 N8 -","2","0.5","","Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.","Alkali Metal Control over N-N Cleavage in Iron Complexes.","Journal of the American Chemical Society","2014","","","141120101403003","","10.1021/ja507442b","","","0.71073","MoKα","","0.1006","0.0494","","","0.0922","0.1118","","","","","","1","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122966","9.273","0.002","16.959","0.002","22.383","0.003","90","","90.75","0.02","90","","3519.7","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H62 N2 Si -","- C40 H62 N2 Si -","- C160 H248 N8 Si4 -","4","1","","Roy, Sudipta; Mondal, Kartik Chandra; Krause, Lennard; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Meyer, Jann; Stückl, A Claudia; Maity, Bholanath; Koley, Debasis; Vasa, Suresh Kumar; Xiang, Sheng Qi; Linser, Rasmus; Roesky, Herbert W.","Electron-Induced Conversion of Silylones to Six-Membered Cyclic Silylenes.","Journal of the American Chemical Society","2014","","","141119074807003","","10.1021/ja510427r","","","0.71073","MoKα","","0.0908","0.0489","","","0.1063","0.1235","","","","","","1.036","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122967","9.533","0.002","18.139","0.002","22.863","0.003","90","","93","0.02","90","","3948","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H70 N2 Si -","- C46 H70 N2 Si -","- C184 H280 N8 Si4 -","4","1","","Roy, Sudipta; Mondal, Kartik Chandra; Krause, Lennard; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Meyer, Jann; Stückl, A Claudia; Maity, Bholanath; Koley, Debasis; Vasa, Suresh Kumar; Xiang, Sheng Qi; Linser, Rasmus; Roesky, Herbert W.","Electron-Induced Conversion of Silylones to Six-Membered Cyclic Silylenes.","Journal of the American Chemical Society","2014","","","141119074807003","","10.1021/ja510427r","","","0.56086","AgKα","","0.0831","0.054","","","0.14","0.1562","","","","","","1.04","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122968","38.758","0.002","38.758","0.002","38.758","0.002","90","","90","","90","","58222","5","293","2","293","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C276 H160 N24 O32 Zn6 Zr6 -","- C276 H96 N24 O32 Zn6 Zr6 -","- C1104 H384 N96 O128 Zn24 Zr24 -","4","0.0208333","","Lu, Kuangda; He, Chunbai; Lin, Wenbin","Nanoscale Metal-Organic Framework for Highly Effective Photodynamic Therapy of Resistant Head and Neck Cancer.","Journal of the American Chemical Society","2014","","","141119074725009","","10.1021/ja508679h","","","0.41328","","","0.094","0.0896","","","0.2592","0.2644","","","","","","2.324","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122969","10.736","0.002","25.965","0.005","13.034","0.002","90","","97.68","0.003","90","","3600.8","1.1","100","","100","","","","","","","","acetonitrile,diethylether","5","P 1 21/c 1","-P 2ybc","14","","Title","","- C34 H19 F15 I3 N3 -","- C34 H19 F15 I3 N3 -","- C136 H76 F60 I12 N12 -","4","1","","Jungbauer, Stefan H.; Bulfield, David; Kniep, Florian; Lehmann, Christian W.; Herdtweck, Eberhardt; Huber, Stefan M.","Toward Molecular Recognition: Three-Point Halogen Bonding in the Solid State and in Solution.","Journal of the American Chemical Society","2014","","","141119074946004","","10.1021/ja509705f","","","0.71073","Mo-Kα","","0.0211","0.0177","","","0.0409","0.0422","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122970","22.379","0.005","22.379","0.005","42.132","0.005","90","","90","","120","","18274","6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C162 H174 N78 O54 -","- C162 H162 N78 O54 -","- C486 H486 N234 O162 -","3","0.166667","","Chen, Kai; Kang, Yan-Shang; Zhao, Yue; Yang, Ji-Min; Lu, Yi; Sun, Wei-Yin","Cucurbit[6]uril-Based Supramolecular Assemblies: Possible Application in Radioactive Cesium Cation Capture.","Journal of the American Chemical Society","2014","","","141119145920008","","10.1021/ja5098836","","","0.71073","MoKα","","0.1389","0.0849","","","0.1804","0.1936","","","","","","1.183","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122971","23.6641","0.0018","23.6641","0.0018","31.78","0.002","90","","90","","120","","15412.2","1.9","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C180 H180 N90 O54 -","- C180 H179.76 N90 O54 -","- C360 H359.52 N180 O108 -","2","0.166667","","Chen, Kai; Kang, Yan-Shang; Zhao, Yue; Yang, Ji-Min; Lu, Yi; Sun, Wei-Yin","Cucurbit[6]uril-Based Supramolecular Assemblies: Possible Application in Radioactive Cesium Cation Capture.","Journal of the American Chemical Society","2014","","","141119145920008","","10.1021/ja5098836","","","0.71073","MoKα","","0.2055","0.1159","","","0.2343","0.2503","","","","","","1.197","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122972","22.309","0.005","22.309","0.005","42.278","0.005","90","","90","","120","","18222","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C81 H75 Cs3 N36 O27 -","- C81 H69 Cs3 N36 O27 -","- C486 H414 Cs18 N216 O162 -","6","0.333333","","Chen, Kai; Kang, Yan-Shang; Zhao, Yue; Yang, Ji-Min; Lu, Yi; Sun, Wei-Yin","Cucurbit[6]uril-Based Supramolecular Assemblies: Possible Application in Radioactive Cesium Cation Capture.","Journal of the American Chemical Society","2014","","","141119145920008","","10.1021/ja5098836","","","0.71069","MoKα","","0.1909","0.1267","","","0.2794","0.2962","","","","","","1.19","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122973","34.623","0.002","34.623","0.002","16.4266","0.001","90","","90","","90","","19691","2","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C168 H104 Mo8 N24 O56 -","- C168 H104 Mo8 N24 O56 -","- C336 H208 Mo16 N48 O112 -","2","0.125","","Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai","Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing ""Codes"" of Bridging Ligands and Metathesis of Metal Units.","Journal of the American Chemical Society","2014","","","141120112955009","","10.1021/ja508822r","","","0.71073","MoKα","","0.0881","0.0626","","","0.1625","0.1693","","","","","","1.002","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122974","23.524","0.005","31.791","0.007","48.797","0.01","90","","90","","90","","36493","13","110","2","110","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C168 H104 Cu8 N24 O56 -","- C168 H104 Cu8 N24 O56 -","- C672 H416 Cu32 N96 O224 -","4","0.25","","Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai","Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing ""Codes"" of Bridging Ligands and Metathesis of Metal Units.","Journal of the American Chemical Society","2014","","","141120112955009","","10.1021/ja508822r","","","0.71073","MoKα","","0.2137","0.1591","","","0.3077","0.3287","","","","","","1.009","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4122975","8.918","0.0012","15.89","0.002","20.734","0.003","90","","97.404","0.002","90","","2913.7","0.7","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 Cu2 N10 O16 -","- C58 H62 Cu2 N10 O16 -","- C116 H124 Cu4 N20 O32 -","2","0.5","","Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai","Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing ""Codes"" of Bridging Ligands and Metathesis of Metal Units.","Journal of the American Chemical Society","2014","","","141120112955009","","10.1021/ja508822r","","","0.71073","MoKα","","0.0872","0.0441","","","0.0764","0.0832","","","","","","1.005","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122976","26.273","0.005","26.687","0.005","29.106","0.006","90.067","0.003","108.93","0.002","105.381","0.002","18527","6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C252 H156 Cu12 N36 O84 -","- C252 H156 Cu12 N36 O84 -","- C252 H156 Cu12 N36 O84 -","1","0.5","","Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai","Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing ""Codes"" of Bridging Ligands and Metathesis of Metal Units.","Journal of the American Chemical Society","2014","","","141120112955009","","10.1021/ja508822r","","","0.71073","MoKα","","0.2168","0.0815","","","0.1519","0.1634","","","","","","0.88","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122977","31.22","0.01","31.22","0.01","24.656","0.008","90","","90","","90","","24032","13","110","2","110","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C252 H156 Mo12 N36 O80 -","- C252 H156 Mo12 N36 O80 -","- C504 H312 Mo24 N72 O160 -","2","0.125","","Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai","Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing ""Codes"" of Bridging Ligands and Metathesis of Metal Units.","Journal of the American Chemical Society","2014","","","141120112955009","","10.1021/ja508822r","","","0.71073","MoKα","","0.2542","0.1353","","","0.2555","0.2847","","","","","","0.994","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122978","31.22","0.03","31.22","0.03","25.05","0.03","90","","90","","90","","24416","4","110","2","110","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C252 H156 Cu5.6 Mo6.4 N36 O78 -","- C252 H156 Cu5.6 Mo6.4 N36 O78 -","- C504 H312 Cu11.2 Mo12.8 N72 O156 -","2","0.125","","Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai","Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing ""Codes"" of Bridging Ligands and Metathesis of Metal Units.","Journal of the American Chemical Society","2014","","","141120112955009","","10.1021/ja508822r","","","0.71073","MoKα","","0.3304","0.1434","","","0.2659","0.315","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122979","17.287","0.004","11.975","0.003","18.283","0.004","90","","114.716","0.0018","90","","3438.1","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 N2 P2 -","- C36 H54 N2 P2 -","- C144 H216 N8 P8 -","4","1","","Cui, Jingjing; Li, Yongxin; Ganguly, Rakesh; Inthirarajah, Anusiya; Hirao, Hajime; Kinjo, Rei","Metal-Free σ-Bond Metathesis in Ammonia Activation by a Diazadiphosphapentalene.","Journal of the American Chemical Society","2014","","","141119074650008","","10.1021/ja509963m","","","0.71073","MoKα","","0.141","0.0582","","","0.1184","0.1484","","","","","","0.968","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122980","9.7159","0.0007","12.9229","0.001","16.3051","0.0016","67.064","0.006","81.934","0.006","70.631","0.005","1778.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H57 N3 P2 -","- C36 H57 N3 P2 -","- C72 H114 N6 P4 -","2","1","","Cui, Jingjing; Li, Yongxin; Ganguly, Rakesh; Inthirarajah, Anusiya; Hirao, Hajime; Kinjo, Rei","Metal-Free σ-Bond Metathesis in Ammonia Activation by a Diazadiphosphapentalene.","Journal of the American Chemical Society","2014","","","141119074650008","","10.1021/ja509963m","","","0.71073","MoKα","","0.2111","0.0979","","","0.2259","0.2986","","","","","","1.061","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122981","15.829","0.008","12.119","0.006","19.547","0.01","90","","113.612","0.006","90","","3436","3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 Cl N2 P -","- C36 H56 Cl N2 P -","- C144 H224 Cl4 N8 P4 -","4","1","","Cui, Jingjing; Li, Yongxin; Ganguly, Rakesh; Inthirarajah, Anusiya; Hirao, Hajime; Kinjo, Rei","Metal-Free σ-Bond Metathesis in Ammonia Activation by a Diazadiphosphapentalene.","Journal of the American Chemical Society","2014","","","141119074650008","","10.1021/ja509963m","","","0.71073","MoKα","","0.1089","0.0873","","","0.232","0.2459","","","","","","1.119","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122982","16.3011","0.0011","12.2497","0.0007","19.483","0.0009","90","","113.72","0.0018","90","","3561.8","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 B N2 P -","- C36 H60 B N2 P -","- C144 H240 B4 N8 P4 -","4","1","","Cui, Jingjing; Li, Yongxin; Ganguly, Rakesh; Inthirarajah, Anusiya; Hirao, Hajime; Kinjo, Rei","Metal-Free σ-Bond Metathesis in Ammonia Activation by a Diazadiphosphapentalene.","Journal of the American Chemical Society","2014","","","141119074650008","","10.1021/ja509963m","","","0.71073","MoKα","","0.1179","0.0641","","","0.1578","0.192","","","","","","1.038","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122983","19.1008","0.0013","9.3723","0.0006","20.0296","0.0015","90","","101.868","0.003","90","","3509","0.4","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H55 Cl N2 P2 -","- C36 H55 Cl N2 P2 -","- C144 H220 Cl4 N8 P8 -","4","1","","Cui, Jingjing; Li, Yongxin; Ganguly, Rakesh; Inthirarajah, Anusiya; Hirao, Hajime; Kinjo, Rei","Metal-Free σ-Bond Metathesis in Ammonia Activation by a Diazadiphosphapentalene.","Journal of the American Chemical Society","2014","","","141119074650008","","10.1021/ja509963m","","","0.71073","MoKα","","0.1129","0.0638","","","0.1457","0.1693","","","","","","1.034","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122984","9.5581","0.0018","13.979","0.003","14.962","0.003","114.231","0.008","90.678","0.008","95.787","0.008","1810.6","0.6","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H57 N3 P2 -","- C36 H57 N3 P2 -","- C72 H114 N6 P4 -","2","1","","Cui, Jingjing; Li, Yongxin; Ganguly, Rakesh; Inthirarajah, Anusiya; Hirao, Hajime; Kinjo, Rei","Metal-Free σ-Bond Metathesis in Ammonia Activation by a Diazadiphosphapentalene.","Journal of the American Chemical Society","2014","","","141119074650008","","10.1021/ja509963m","","","0.71073","MoKα","","0.2294","0.0722","","","0.1453","0.1991","","","","","","0.97","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122985","12.9755","0.0006","16.0657","0.0007","17.3774","0.0007","90","","90.158","0.003","90","","3622.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H57 N3 P2 -","- C36 H57 N3 P2 -","- C144 H228 N12 P8 -","4","1","","Cui, Jingjing; Li, Yongxin; Ganguly, Rakesh; Inthirarajah, Anusiya; Hirao, Hajime; Kinjo, Rei","Metal-Free σ-Bond Metathesis in Ammonia Activation by a Diazadiphosphapentalene.","Journal of the American Chemical Society","2014","","","141119074650008","","10.1021/ja509963m","","","0.71073","MoKα","","0.2194","0.0807","","","0.1498","0.206","","","","","","1.02","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122986","10.3885","0.0005","10.4707","0.0005","10.6706","0.0005","111.553","0.004","96.864","0.004","102.719","0.004","1027.04","0.1","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Br F4 N2 O -","- C22 H19 Br F4 N2 O -","- C44 H38 Br2 F8 N4 O2 -","2","1","","Kalz, Kai F.; Brinkmeier, Alexander; Dechert, Sebastian; Mata, Ricardo A.; Meyer, Franc","Functional Model for the [Fe] Hydrogenase Inspired by the Frustrated Lewis Pair Concept.","Journal of the American Chemical Society","2014","","","141117115410006","","10.1021/ja509186d","","","0.71073","MoKα","","0.0261","0.024","","","0.0596","0.0605","","","","","","1.039","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122987","9.0488","0.0017","9.7465","0.0018","11.796","0.002","106.091","0.015","92.927","0.015","110.799","0.014","921.4","0.3","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 F4 N2 -","- C22 H18 F4 N2 -","- C44 H36 F8 N4 -","2","1","","Kalz, Kai F.; Brinkmeier, Alexander; Dechert, Sebastian; Mata, Ricardo A.; Meyer, Franc","Functional Model for the [Fe] Hydrogenase Inspired by the Frustrated Lewis Pair Concept.","Journal of the American Chemical Society","2014","","","141117115410006","","10.1021/ja509186d","","","0.71073","MoKα","","0.0898","0.0474","","","0.1052","0.1224","","","","","","0.915","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122988","9.6121","0.0005","11.8218","0.0005","13.3728","0.0006","76.337","0.004","87.56","0.004","84.662","0.004","1469.84","0.12","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H25 Br F3 N3 O2 Ru -","- C31 H25 Br F3 N3 O2 Ru -","- C62 H50 Br2 F6 N6 O4 Ru2 -","2","1","","Kalz, Kai F.; Brinkmeier, Alexander; Dechert, Sebastian; Mata, Ricardo A.; Meyer, Franc","Functional Model for the [Fe] Hydrogenase Inspired by the Frustrated Lewis Pair Concept.","Journal of the American Chemical Society","2014","","","141117115410006","","10.1021/ja509186d","","","0.71073","MoKα","","0.0423","0.0309","","","0.0669","0.0699","","","","","","1.011","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122989","7.6277","0.0003","16.5219","0.0006","18.3654","0.0007","71.57","0.001","78.105","0.001","89.954","0.001","2143.45","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H25 Br N2 O2 S Si -","- C22 H25 Br N2 O2 S Si -","- C88 H100 Br4 N8 O8 S4 Si4 -","4","2","","Gandhamsetty, Narasimhulu; Joung, Seewon; Park, Sung-Woo; Park, Sehoon; Chang, Sukbok","Boron-Catalyzed Silylative Reduction of Quinolines: Selective sp(3) C-Si Bond Formation.","Journal of the American Chemical Society","2014","","","141120154130001","","10.1021/ja510674u","","","0.71073","MoKα","","0.0802","0.0599","","","0.1616","0.184","","","","","","1.184","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122990","9.9207","0.0006","11.1361","0.0007","15.2656","0.0009","90","","100.731","0.002","90","","1657.02","0.17","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C76 H72 N8 O12 S4 -","4","1","","Gandhamsetty, Narasimhulu; Joung, Seewon; Park, Sung-Woo; Park, Sehoon; Chang, Sukbok","Boron-Catalyzed Silylative Reduction of Quinolines: Selective sp(3) C-Si Bond Formation.","Journal of the American Chemical Society","2014","","","141120154130001","","10.1021/ja510674u","","","0.71073","MoKα","","0.0668","0.0566","","","0.147","0.158","","","","","","1.061","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122991","18.662","0.015","10.727","0.009","11.793","0.01","90","","119.34","0.05","90","","2058","3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H26 N2 O2 S Si -","- C22 H26 N2 O2 S Si -","- C88 H104 N8 O8 S4 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Joung, Seewon; Park, Sung-Woo; Park, Sehoon; Chang, Sukbok","Boron-Catalyzed Silylative Reduction of Quinolines: Selective sp(3) C-Si Bond Formation.","Journal of the American Chemical Society","2014","","","141120154130001","","10.1021/ja510674u","","","0.71073","MoKα","","0.0994","0.0743","","","0.1586","0.1717","","","","","","1.062","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122992","17.1983","0.0012","8.0849","0.0006","17.9476","0.0014","90","","111.473","0.002","90","","2322.3","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 Br N2 O2 S Si -","- C23 H27 Br N2 O2 S Si -","- C92 H108 Br4 N8 O8 S4 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Joung, Seewon; Park, Sung-Woo; Park, Sehoon; Chang, Sukbok","Boron-Catalyzed Silylative Reduction of Quinolines: Selective sp(3) C-Si Bond Formation.","Journal of the American Chemical Society","2014","","","141120154130001","","10.1021/ja510674u","","","0.71073","MoKα","","0.1036","0.0882","","","0.2242","0.2375","","","","","","1.03","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122993","11.0102","0.0005","8.7962","0.0004","22.3342","0.0009","90","","96.328","0.002","90","","2149.84","0.16","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N2 O2 S Si -","- C23 H27 N2 O2 S Si -","- C92 H108 N8 O8 S4 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Joung, Seewon; Park, Sung-Woo; Park, Sehoon; Chang, Sukbok","Boron-Catalyzed Silylative Reduction of Quinolines: Selective sp(3) C-Si Bond Formation.","Journal of the American Chemical Society","2014","","","141120154130001","","10.1021/ja510674u","","","0.71073","MoKα","","0.085","0.0641","","","0.1759","0.1959","","","","","","1.089","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122994","5.8577","0.0003","6.6735","0.0003","12.7807","0.0006","90","","98.084","0.003","90","","494.65","0.04","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C22 H30 N2 O4 -","2","1","","Gandhamsetty, Narasimhulu; Joung, Seewon; Park, Sung-Woo; Park, Sehoon; Chang, Sukbok","Boron-Catalyzed Silylative Reduction of Quinolines: Selective sp(3) C-Si Bond Formation.","Journal of the American Chemical Society","2014","","","141120154130001","","10.1021/ja510674u","","","0.71073","MoKα","","0.0635","0.0432","","","0.0941","0.1015","","","","","","1.081","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122995","38.4265","0.0016","38.4265","0.0016","38.4265","0.0016","90","","90","","90","","56740","4","100","2","100.01","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C144 H72 Fe3 N12 O64 Zr12 -","- C144 H72 Fe3 N12 O64 Zr12 -","- C576 H288 Fe12 N48 O256 Zr48 -","4","0.0416667","","Anderson, John S.; Gallagher, Audrey T.; Mason, Jarad A.; Harris, T. David","A Five-Coordinate Heme Dioxygen Adduct Isolated within a Metal-Organic Framework.","Journal of the American Chemical Society","2014","","","141117151249006","","10.1021/ja5103103","","x-ray","1.54178","CuKα","","0.0825","0.0691","","","0.2273","0.2397","","","","","","1.112","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122996","38.6484","0.0019","38.6484","0.0019","38.6484","0.0019","90","","90","","90","","57729","5","100","2","100.13","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C18 H9 Fe0.38 N1.5 O8.75 Zr1.5 -","- C18 H9 Fe0.375 N1.5 O8.56235 Zr1.5 -","- C576 H288 Fe12 N48 O273.995 Zr48 -","32","0.333333","","Anderson, John S.; Gallagher, Audrey T.; Mason, Jarad A.; Harris, T. David","A Five-Coordinate Heme Dioxygen Adduct Isolated within a Metal-Organic Framework.","Journal of the American Chemical Society","2014","","","141117151249006","","10.1021/ja5103103","","x-ray","1.54178","CuKα","","0.0495","0.0441","","","0.1381","0.1415","","","","","","1.089","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122997","13.0108","0.0013","13.0547","0.0013","37.484","0.004","90","","90","","90","","6366.7","1.1","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C67 H52 B F24 N3 Ni O2 -","- C67 H52 B F24 N3 Ni O2 -","- C268 H208 B4 F96 N12 Ni4 O8 -","4","1","","Schley, Nathan D.; Fu, Gregory C.","Nickel-Catalyzed Negishi Arylations of Propargylic Bromides: A Mechanistic Investigation.","Journal of the American Chemical Society","2014","","","141117163347008","","10.1021/ja508718m","","","0.71073","MoKα","","0.0568","0.04","","","0.0777","0.0848","","","","","","1.026","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4122998","10.45","0.002","11.491","0.002","18.143","0.004","90","","99.75","0.03","90","","2147.2","0.8","100","","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N3 Ni O2 -","- C23 H28 N3 Ni O2 -","- C92 H112 N12 Ni4 O8 -","4","2","","Schley, Nathan D.; Fu, Gregory C.","Nickel-Catalyzed Negishi Arylations of Propargylic Bromides: A Mechanistic Investigation.","Journal of the American Chemical Society","2014","","","141117163347008","","10.1021/ja508718m","","","0.7293","synchrotron","","0.0446","0.0401","","","0.1013","0.1031","","","","","","1.007","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122999","21.9265","0.0025","21.9265","0.0025","21.9265","0.0025","90","","90","","90","","10542","2","295","","295","","","","","","","","","5","F m -3","-F 2 2 3","202","Nickel Telurium Triethylphosphine C70 complex","","","- C118 H120 Ni9 P8 Te6 -","- C118.56 H120 Ni9.001 P8 Te6 -","- C474.24 H480 Ni36.004 P32 Te24 -","4","0.0416667","","Lee, Chul-Ho; Liu, Lian; Bejger, Christopher; Turkiewicz, Ari; Goko, Tatsuo; Arguello, Carlos J.; Frandsen, Benjamin A.; Cheung, Sky C.; Medina, Teresa; Munsie, Timothy J. S.; D'Ortenzio, Robert; Luke, Graeme M.; Besara, Tiglet; Lalancette, Roger A.; Siegrist, Theo; Stephens, Peter W.; Crowther, Andrew C.; Brus, Louis E.; Matsuo, Yutaka; Nakamura, Eiichi; Uemura, Yasutomo J.; Kim, Philip; Nuckolls, Colin; Steigerwald, Michael L.; Roy, Xavier","Ferromagnetic Ordering in Superatomic Solids.","Journal of the American Chemical Society","2014","","","141120142959006","","10.1021/ja5098622","powder diffraction","","0.69962","","","","","","","","","","0.009","1.205","","","","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4123000","17.3709","0.0005","17.3709","0.0005","14.927","0.0004","90","","90","","120","","3900.75","0.19","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H72 Ni9 P8 Te6 -","- C24 H72 Ni9 P8 Te6 -","- C72 H216 Ni27 P24 Te18 -","3","0.166667","","Lee, Chul-Ho; Liu, Lian; Bejger, Christopher; Turkiewicz, Ari; Goko, Tatsuo; Arguello, Carlos J.; Frandsen, Benjamin A.; Cheung, Sky C.; Medina, Teresa; Munsie, Timothy J. S.; D'Ortenzio, Robert; Luke, Graeme M.; Besara, Tiglet; Lalancette, Roger A.; Siegrist, Theo; Stephens, Peter W.; Crowther, Andrew C.; Brus, Louis E.; Matsuo, Yutaka; Nakamura, Eiichi; Uemura, Yasutomo J.; Kim, Philip; Nuckolls, Colin; Steigerwald, Michael L.; Roy, Xavier","Ferromagnetic Ordering in Superatomic Solids.","Journal of the American Chemical Society","2014","","","141120142959006","","10.1021/ja5098622","","","0.71073","MoKα","","0.0639","0.0491","","0.1183","0.1007","0.1183","","","","","","1.8766","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123001","14.75719","0.00028","14.75719","0.00028","31.8543","0.00089","90","","90","","120","","6007.7","0.2","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","Nickel Telurium Trimethylphosphine C60 complex","","","- C84 H72 Ni9 P8 Te6 -","- C84 H72 Ni9 P8 Te6 -","- C252 H216 Ni27 P24 Te18 -","3","0.166667","","Lee, Chul-Ho; Liu, Lian; Bejger, Christopher; Turkiewicz, Ari; Goko, Tatsuo; Arguello, Carlos J.; Frandsen, Benjamin A.; Cheung, Sky C.; Medina, Teresa; Munsie, Timothy J. S.; D'Ortenzio, Robert; Luke, Graeme M.; Besara, Tiglet; Lalancette, Roger A.; Siegrist, Theo; Stephens, Peter W.; Crowther, Andrew C.; Brus, Louis E.; Matsuo, Yutaka; Nakamura, Eiichi; Uemura, Yasutomo J.; Kim, Philip; Nuckolls, Colin; Steigerwald, Michael L.; Roy, Xavier","Ferromagnetic Ordering in Superatomic Solids.","Journal of the American Chemical Society","2014","","","141120142959006","","10.1021/ja5098622","powder diffraction","","0.69991","","","","","","","","","","0.009","2.544","","","","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4123002","20.3534","0.001","8.3596","0.0005","22.6457","0.0011","90","","90","","90","","3853.1","0.4","122","1","122","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H38 O8 S4 Si2 -","- C34 H38 O8 S4 Si2 -","- C136 H152 O32 S16 Si8 -","4","0.5","","Parker, Christian R.; Leary, Edmund; Frisenda, Riccardo; Wei, Zhongming; Jennum, Karsten S.; Glibstrup, Emil; Abrahamsen, Peter Bæch; Santella, Marco; Christensen, Mikkel A.; Della Pia, Eduardo Antonio; Li, Tao; Gonzalez, Maria Teresa; Jiang, Xingbin; Morsing, Thorbjørn J; Rubio-Bollinger, Gabino; Laursen, Bo W.; Nørgaard, Kasper; van der Zant, Herre; Agrait, Nicolas; Nielsen, Mogens Brøndsted","A Comprehensive Study of Extended Tetrathiafulvalene Cruciform Molecules for Molecular Electronics: Synthesis and Electrical Transport Measurements.","Journal of the American Chemical Society","2014","","","141117163359006","","10.1021/ja509937k","","","0.71073","MoKα","","0.075","0.0426","","","0.0856","0.0981","","","","","","1.0426","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123003","3.94518","0.0001","3.94518","0.0001","13.13219","0.0001","90","","90","","90","","204.395","0.007","295","","295","","","","","","","","","4","I 4/m m m","-I 4 2","139","Barium Potassium Iron Arsenide","","","- As2 Ba0.83 Fe2 K0.17 -","- As2 Ba0.833 Fe2 K0.167 -","- As4 Ba1.666 Fe4 K0.334 -","2","0.0625","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.0429","0.0429","","","0.0371","0.0371","","","2.73","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123004","3.88324","0.0001","3.88324","0.0001","13.53814","0.0001","90","","90","","90","","204.149","0.008","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","Barium Potassium Iron Arsenide","","","- As2 Ba0.32 Fe2 K0.68 -","- As2 Ba0.317 Fe2 K0.683 -","- As4 Ba0.634 Fe4 K1.366 -","2","0.0625","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.0617","0.0598","","","0.052","0.052","","","3.29","","","","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123005","3.961","0.006","3.961","0.006","13.02","0.02","90","","90","","90","","204.3","0.5","293","","293","","","","","","","","","3","I 4/m m m","-I 4 2","139","Barium Iron Arsenide","","","- As2 Ba Fe2 -","- As2 Ba Fe2 -","- As4 Ba2 Fe4 -","2","0.0625","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.0436","0.0399","","","0.0247","0.0248","","","2.09","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123006","3.94518","0.0001","3.94518","0.0001","13.13219","0.0001","90","","90","","90","","204.395","0.007","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","Barium Potassium Iron Arsenide","","","- As2 Ba0.84 Fe2 K0.16 -","- As2 Ba0.839 Fe2 K0.161 -","- As4 Ba1.678 Fe4 K0.322 -","2","0.0625","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.0438","0.0437","","","0.038","0.038","","","3.49","","","","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123007","3.90675","0.0001","3.90675","0.0001","13.37425","0.0001","90","","90","","90","","204.127","0.008","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","Barium Potassium Iron Arsenide","","","- As2 Ba0.52 Fe2 K0.48 -","- As2 Ba0.523 Fe2 K0.477 -","- As4 Ba1.046 Fe4 K0.954 -","2","0.0625","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.0708","0.0634","","","0.0425","0.0426","","","2.6","","","","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123008","3.849","0.002","3.849","0.002","13.867","0.003","90","","90","","90","","205.44","0.16","293","","293","","","","","","","","","3","I 4/m m m","-I 4 2","139","Potassium Iron Arsenide","","","- As2 Fe2 K -","- As2 Fe1.854 K -","- As4 Fe3.708 K2 -","2","0.0625","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.1171","0.083","","","0.06","0.061","","","1.76","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123009","5.6139","0.0001","5.5746","0.0001","12.9594","0.0003","90","","90","","90","","405.568","0.014","100","","100","","","","","","","","","3","F m m m","-F 2 2","69","Barium Iron Arsenide","","","- As2 Ba Fe2 -","- As2 Ba Fe2 -","- As8 Ba4 Fe8 -","4","0.125","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.0336","0.0336","","","0.028","0.028","","","1.82","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123010","5.5864","0.0002","5.5564","0.0002","13.061","0.006","90","","90","","90","","405.42","0.19","100","","100","","","","","","","","","4","F m m m","-F 2 2","69","Barium Potassium Iron Arsenide","","","- As2 Ba0.84 Fe2 K0.16 -","- As2 Ba0.838 Fe2 K0.162 -","- As8 Ba3.352 Fe8 K0.648 -","4","0.125","","Zaikina, Julia V.; Batuk, Maria; Abakumov, Artem M.; Navrotsky, Alexandra; Kauzlarich, Susan M.","Facile Synthesis of Ba1-xKxFe2As2 Superconductors via Hydride Route.","Journal of the American Chemical Society","2014","","","141121132150009","","10.1021/ja509907r","powder diffraction","","0.41383","synchrotron","","0.0369","0.0369","","","0.037","0.037","","","1.97","","","","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123011","13.0544","0.0004","10.6929","0.0003","17.401","0.0005","90","","101.818","0.003","90","","2377.51","0.12","180","0.14","180","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Cl3 N O P Pd -","- C23 H23 Cl3 N O P Pd -","- C92 H92 Cl12 N4 O4 P4 Pd4 -","4","1","","Larionov, Evgeny; Lin, Luqing; Guénée, Laure; Mazet, Clément","Scope and Mechanism in Palladium-Catalyzed Isomerizations of Highly Substituted Allylic, Homoallylic, and Alkenyl Alcohols.","Journal of the American Chemical Society","2014","","","141121132216006","","10.1021/ja508736u","","x-ray","1.54184","CuKα","","0.0343","0.0328","","","0.0852","0.0864","","","","","","1.062","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123012","7.5365","0.0003","9.4101","0.0003","10.7721","0.0003","93.659","0.002","108.172","0.003","100.009","0.003","709.09","0.04","180","2","180","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H51 Cl P2 Pd -","- C27 H51 Cl P2 Pd -","- C27 H51 Cl P2 Pd -","1","1","","Larionov, Evgeny; Lin, Luqing; Guénée, Laure; Mazet, Clément","Scope and Mechanism in Palladium-Catalyzed Isomerizations of Highly Substituted Allylic, Homoallylic, and Alkenyl Alcohols.","Journal of the American Chemical Society","2014","","","141121132216006","","10.1021/ja508736u","","","1.54184","CuKα","","0.0201","0.0201","","","0.0534","0.0534","","","","","","0.934","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123013","11.204","0.0005","15.3731","0.0007","19.3918","0.0008","90","","118.028","0.003","90","","2948.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 F6 O7 P2 Pd S2 -","- C20 H42 F6 O7 P2 Pd S2 -","- C80 H168 F24 O28 P8 Pd4 S8 -","4","1","","Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan","A Comprehensive Mechanistic Picture of the Isomerizing Alkoxycarbonylation of Plant Oils","Journal of the American Chemical Society","2014","","","141121132036004","","10.1021/ja508447d","","","0.71073","MoKα","","0.0327","0.0247","","","0.0581","0.06","","","","","","1.036","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123014","18.639","0.0018","8.4318","0.0005","14.4869","0.0014","90","","109.106","0.007","90","","2151.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H38 Cl2 P2 Pd -","- C17 H38 Cl2 P2 Pd -","- C68 H152 Cl8 P8 Pd4 -","4","1","","Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan","A Comprehensive Mechanistic Picture of the Isomerizing Alkoxycarbonylation of Plant Oils","Journal of the American Chemical Society","2014","","","141121132036004","","10.1021/ja508447d","","","0.71073","MoKα","","0.0324","0.0239","","","0.0477","0.0493","","","","","","1.011","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123015","10.7915","0.0006","11.2935","0.0006","12.4906","0.0007","89.818","0.005","85.071","0.005","86.76","0.005","1514.22","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H44 F6 O6 P2 Pd S2 -","- C22 H44 F6 O6 P2 Pd S2 -","- C44 H88 F12 O12 P4 Pd2 S4 -","2","1","","Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan","A Comprehensive Mechanistic Picture of the Isomerizing Alkoxycarbonylation of Plant Oils","Journal of the American Chemical Society","2014","","","141121132036004","","10.1021/ja508447d","","","0.71073","MoKα","","0.0306","0.0252","","","0.0516","0.0525","","","","","","1.042","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123016","13.3167","0.0008","11.4282","0.0005","16.5889","0.001","90","","112.288","0.005","90","","2336","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H81 F3 O4 P4 Pd2 S -","- C38 H81 F3 O4 P4 Pd2 S -","- C76 H162 F6 O8 P8 Pd4 S2 -","2","1","","Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan","A Comprehensive Mechanistic Picture of the Isomerizing Alkoxycarbonylation of Plant Oils","Journal of the American Chemical Society","2014","","","141121132036004","","10.1021/ja508447d","","","0.71073","MoKα","","0.0276","0.0259","","","0.0626","0.0632","","","","","","1.044","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123017","14.3747","0.0007","9.705","0.0003","17.8111","0.0009","90","","112.703","0.004","90","","2292.24","0.19","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H26 F6 O6 P2 Pd S2 -","- C13 H26 F6 O6 P2 Pd S2 -","- C52 H104 F24 O24 P8 Pd4 S8 -","4","1","","Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan","A Comprehensive Mechanistic Picture of the Isomerizing Alkoxycarbonylation of Plant Oils","Journal of the American Chemical Society","2014","","","141121132036004","","10.1021/ja508447d","","","0.71073","MoKα","","0.0369","0.0282","","","0.0601","0.0624","","","","","","1.023","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123018","10.3945","0.0004","20.9158","0.001","15.8422","0.0008","90","","110.059","0.003","90","","3235.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H51 F3 O3 P2 Pd S -","- C29 H51 F3 O3 P2 Pd S -","- C116 H204 F12 O12 P8 Pd4 S4 -","4","1","","Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan","A Comprehensive Mechanistic Picture of the Isomerizing Alkoxycarbonylation of Plant Oils","Journal of the American Chemical Society","2014","","","141121132036004","","10.1021/ja508447d","","","0.71073","MoKα","","0.0584","0.0471","","","0.1155","0.1205","","","","","","1.025","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123019","30.2938","0.001","10.505","0.0004","21.3012","0.0008","90","","125.849","0.002","90","","5494.7","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H36 F6 O7 P2 Pd S2 -","- C17 H36 F6 O7 P2 Pd S2 -","- C136 H288 F48 O56 P16 Pd8 S16 -","8","1","","Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan","A Comprehensive Mechanistic Picture of the Isomerizing Alkoxycarbonylation of Plant Oils","Journal of the American Chemical Society","2014","","","141121132036004","","10.1021/ja508447d","","","0.71073","MoKα","","0.0323","0.0235","","","0.0493","0.051","","","","","","1.032","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123020","19.2399","0.0015","16.7691","0.0013","24.62","0.002","90","","90","","90","","7943.3","1.1","15","","15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H35 Co4 F6 N5 O12 P -","- C30 H35 Co4 F6 N5 O12 P -","- C240 H280 Co32 F48 N40 O96 P8 -","8","1","","Ullman, Andrew M.; Liu, Yi; Huynh, Michael; Bediako, D. Kwabena; Wang, Hongsen; Anderson, Bryce L.; Powers, David C.; Breen, John J.; Abruña, Héctor D; Nocera, Daniel G.","Water Oxidation Catalysis by Co(II) Impurities in Co(III)4O4 Cubanes.","Journal of the American Chemical Society","2014","","","141204115603004","","10.1021/ja5110393","","","0.41328","synchrotron","","0.0527","0.0336","","","0.0931","0.1187","","","","","","1.211","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4123021","12.7759","0.0005","13.4483","0.0005","13.7997","0.0005","63.766","0.001","74.697","0.002","64.887","0.001","1917.2","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H51 F3 Fe N7 O4 S -","- C37 H51 F3 Fe N7 O4 S -","- C74 H102 F6 Fe2 N14 O8 S2 -","2","1","","Matson, Ellen M.; Park, Yun Ji; Fout, Alison R.","Facile Nitrite Reduction in a Non-heme Iron System: Formation of an Iron(III)-Oxo.","Journal of the American Chemical Society","2014","","","141203122255000","","10.1021/ja510615p","","","0.71073","MoKα","","0.056","0.0387","","","0.0957","0.1028","","","","","","1.05","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123022","14.4321","0.0004","23.909","0.0006","25.8489","0.0007","90","","90","","90","","8919.3","0.4","104","2","104","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H61 F3 N8 O6 S Zn -","- C41 H61 F3 N8 O6 S Zn -","- C328 H488 F24 N64 O48 S8 Zn8 -","8","1","","Matson, Ellen M.; Park, Yun Ji; Fout, Alison R.","Facile Nitrite Reduction in a Non-heme Iron System: Formation of an Iron(III)-Oxo.","Journal of the American Chemical Society","2014","","","141203122255000","","10.1021/ja510615p","","","0.71073","MoKα","","0.0747","0.0547","","","0.1346","0.151","","","","","","1.034","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123023","5.8916","0.0003","11.8596","0.0005","25.8111","0.0011","90","","92.489","0.003","90","","1801.77","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","2","","Guo, Chang; Sahoo, Basudev; Daniliuc, Constantin G.; Glorius, Frank","N-Heterocyclic Carbene Catalyzed Switchable Reactions of Enals with Azoalkenes: Formal [4 + 3] and [4 + 1] Annulations for the Synthesis of 1,2-Diazepines and Pyrazoles.","Journal of the American Chemical Society","2014","","","141203132036004","","10.1021/ja510737n","","","1.54178","CuKα","","0.0762","0.0542","","","0.1121","0.1222","","","","","","1.054","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123024","10.1545","0.0003","10.4775","0.0003","38.4179","0.001","90","","90","","90","","4087.4","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F3 N O -","- C22 H26 F3 N O -","- C176 H208 F24 N8 O8 -","8","2","","Watson, Charlotte G.; Balanta, Angelica; Elford, Tim G.; Essafi, Stéphanie; Harvey, Jeremy N.; Aggarwal, Varinder K.","Construction of Multiple, Contiguous Quaternary Stereocenters in Acyclic Molecules by Lithiation-Borylation.","Journal of the American Chemical Society","2014","","","141203101453003","","10.1021/ja509029h","","","0.71073","MoKα","","0.0813","0.0505","","","0.0929","0.1047","","","","","","1.01","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123025","7.6822","0.0002","13.245","0.0004","9.5272","0.0003","90","","107.126","0.002","90","","926.42","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 F3 N O -","- C21 H24 F3 N O -","- C42 H48 F6 N2 O2 -","2","1","","Watson, Charlotte G.; Balanta, Angelica; Elford, Tim G.; Essafi, Stéphanie; Harvey, Jeremy N.; Aggarwal, Varinder K.","Construction of Multiple, Contiguous Quaternary Stereocenters in Acyclic Molecules by Lithiation-Borylation.","Journal of the American Chemical Society","2014","","","141203101453003","","10.1021/ja509029h","","","0.71073","MoKα","","0.0423","0.0349","","","0.078","0.0817","","","","","","1.038","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123026","9.4867","0.0015","9.7387","0.0015","20.945","0.003","90","","90","","90","","1935.1","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 F3 N O2 -","- C21 H24 F3 N O2 -","- C84 H96 F12 N4 O8 -","4","1","","Watson, Charlotte G.; Balanta, Angelica; Elford, Tim G.; Essafi, Stéphanie; Harvey, Jeremy N.; Aggarwal, Varinder K.","Construction of Multiple, Contiguous Quaternary Stereocenters in Acyclic Molecules by Lithiation-Borylation.","Journal of the American Chemical Society","2014","","","141203101453003","","10.1021/ja509029h","","","1.54178","CuKα","","0.0339","0.0337","","","0.0968","0.097","","","","","","1.153","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123027","9.9876","0.0003","10.1713","0.0003","12.4643","0.0004","90","","101.604","0.002","90","","1240.33","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 F3 N O2 -","- C29 H32 F3 N O2 -","- C58 H64 F6 N2 O4 -","2","1","","Watson, Charlotte G.; Balanta, Angelica; Elford, Tim G.; Essafi, Stéphanie; Harvey, Jeremy N.; Aggarwal, Varinder K.","Construction of Multiple, Contiguous Quaternary Stereocenters in Acyclic Molecules by Lithiation-Borylation.","Journal of the American Chemical Society","2014","","","141203101453003","","10.1021/ja509029h","","","0.71073","MoKα","","0.0421","0.0343","","","0.0737","0.0773","","","","","","1.029","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123028","9.9486","0.0002","13.0728","0.0003","16.3326","0.0004","90","","90","","90","","2124.15","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O2 -","- C27 H32 O2 -","- C108 H128 O8 -","4","1","","Watson, Charlotte G.; Balanta, Angelica; Elford, Tim G.; Essafi, Stéphanie; Harvey, Jeremy N.; Aggarwal, Varinder K.","Construction of Multiple, Contiguous Quaternary Stereocenters in Acyclic Molecules by Lithiation-Borylation.","Journal of the American Chemical Society","2014","","","141203101453003","","10.1021/ja509029h","","","0.71073","MoKα","","0.0396","0.0333","","","0.0732","0.0763","","","","","","1.024","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123029","8.1664","0.0001","26.8552","0.0004","8.7672","0.0001","90","","105.364","0.0009","90","","1854.02","0.04","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","","Kumar, Puneet; Thakur, Ashish; Hong, Xin; Houk, K. N.; Louie, Janis","Ni(NHC)]-Catalyzed Cycloaddition of Diynes and Tropone: Apparent Enone Cycloaddition Involving an 8π Insertion.","Journal of the American Chemical Society","2014","","","141205115205004","","10.1021/ja5105206","","","0.71073","MoKα","","0.063","0.0423","","","0.1076","0.1204","","","","","","1.021","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123030","10.7009","0.0001","11.9592","0.0002","12.041","0.0002","95.2769","0.0008","111.332","0.001","110.844","0.0009","1297.32","0.04","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 Br N O4 S -","- C29 H26 Br N O4 S -","- C58 H52 Br2 N2 O8 S2 -","2","1","","Kumar, Puneet; Thakur, Ashish; Hong, Xin; Houk, K. N.; Louie, Janis","Ni(NHC)]-Catalyzed Cycloaddition of Diynes and Tropone: Apparent Enone Cycloaddition Involving an 8π Insertion.","Journal of the American Chemical Society","2014","","","141205115205004","","10.1021/ja5105206","","","0.71073","MoKα","","0.0483","0.0347","","","0.0854","0.092","","","","","","1.023","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123031","5.8864","0.0003","9.254","0.0006","12.6617","0.0007","104.549","0.002","95.9357","0.0014","105.233","0.0015","633.46","0.06","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H41 N O4 S -","- C26 H41 N O4 S -","- C26 H41 N O4 S -","1","1","","Trost, Barry M.; Ryan, Michael C.; Rao, Meera; Markovic, Tim Z.","Construction of Enantioenriched [3.1.0] Bicycles via a Ruthenium-Catalyzed Asymmetric Redox Bicycloisomerization Reaction.","Journal of the American Chemical Society","2014","","","141203130348009","","10.1021/ja510968h","","","1.54184","CuKα","","0.025","0.0249","","","0.0627","0.0628","","","","","","1.079","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123032","10.8661","0.0008","15.5141","0.0011","16.9911","0.0012","90","","100.56","0.001","90","","2815.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Ce Co N4 O14 -","- C23 H24 Ce Co N4 O14 -","- C92 H96 Ce4 Co4 N16 O56 -","4","1","","Elias, Joseph S.; Risch, Marcel; Giordano, Livia; Mansour, Azzam N.; Shao-Horn, Yang","Structure, Bonding, and Catalytic Activity of Monodisperse, Transition-Metal-Substituted CeO2 Nanoparticles.","Journal of the American Chemical Society","2014","","","141126140831004","","10.1021/ja509214d","","","0.71073","MoKα","","0.0328","0.0284","","","0.0769","0.0806","","","","","","1.037","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123033","9.3373","0.0009","11.5258","0.0011","13.0679","0.0013","67.652","0.002","71.758","0.002","70.559","0.002","1198.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Ce2 Cu2 N10 O26 -","- C38 H40 Ce2 Cu2 N10 O26 -","- C38 H40 Ce2 Cu2 N10 O26 -","1","0.5","","Elias, Joseph S.; Risch, Marcel; Giordano, Livia; Mansour, Azzam N.; Shao-Horn, Yang","Structure, Bonding, and Catalytic Activity of Monodisperse, Transition-Metal-Substituted CeO2 Nanoparticles.","Journal of the American Chemical Society","2014","","","141126140831004","","10.1021/ja509214d","","","0.71073","MoKα","","0.0166","0.015","","","0.0381","0.0387","","","","","","1.037","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123034","9.7345","0.0007","17.2662","0.0012","18.0756","0.0012","90","","91.003","0.001","90","","3037.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Ce N7 Ni O13 -","- C23 H26 Ce N7 Ni O13 -","- C92 H104 Ce4 N28 Ni4 O52 -","4","1","","Elias, Joseph S.; Risch, Marcel; Giordano, Livia; Mansour, Azzam N.; Shao-Horn, Yang","Structure, Bonding, and Catalytic Activity of Monodisperse, Transition-Metal-Substituted CeO2 Nanoparticles.","Journal of the American Chemical Society","2014","","","141126140831004","","10.1021/ja509214d","","","0.71073","MoKα","","0.0199","0.0171","","","0.0414","0.0425","","","","","","1.021","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123035","12.082","0.0004","14.092","0.0004","23.209","0.001","95.839","0.0011","92.629","0.0011","102.239","0.002","3832.5","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","moris371","","","- C66 H90 N6 Si6 Th -","- C66 H114 N6 Si6 Th -","- C132 H228 N12 Si12 Th2 -","2","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.1691","0.0849","","","0.173","0.2008","","","","","","1.06","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123036","12.044","0.0002","14.056","0.0003","23.188","0.0004","95.588","0.0018","92.653","0.0015","102.178","0.0008","3809.92","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","moris372","","","- C66 H90 N6 Si6 U -","- C66 H114 N6 Si6 U -","- C132 H228 N12 Si12 U2 -","2","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.0799","0.0545","","","0.1384","0.1526","","","","","","1.073","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123037","21.675","0.0008","12.284","0.0011","20.007","0.0014","90","","99.745","0.004","90","","5250.1","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris379","","","- C39 H78 N6 Si6 U -","- C39 H78 N6 Si6 U -","- C156 H312 N24 Si24 U4 -","4","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.0522","0.035","","","0.0788","0.0837","","","","","","1.023","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123038","21.675","0.0008","12.284","0.0011","20.007","0.0014","90","","99.745","0.004","90","","5250.1","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris380","","","- C39 H78 N6 Si6 Th -","- C39 H78 N6 Si6 Th -","- C156 H312 N24 Si24 Th4 -","4","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.1047","0.0701","","","0.0951","0.1029","","","","","","1.142","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123039","11.954","0.0004","19.277","0.0008","19.413","0.0004","90","","90","","90","","4473.5","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Moris382","","","- C29 H74 N6 Si6 U -","- C29 H74 N6 Si6 U -","- C116 H296 N24 Si24 U4 -","4","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.0407","0.0351","","","0.0713","0.0728","","","","","","1.124","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123040","11.954","0.0004","19.277","0.0008","19.413","0.0004","90","","90","","90","","4473.5","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Moris383","","","- C29 H74 N6 Si6 Th -","- C29 H74 N6 Si6 Th -","- C116 H296 N24 Si24 Th4 -","4","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.0494","0.0423","","","0.0608","0.0622","","","","","","1.164","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123041","13.5984","0.0017","15.999","0.002","26.25","0.003","91.7738","0.0014","100.245","0.002","100.191","0.002","5519.8","1.2","123.15","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C112 H156 K4 N4 O12 V2 -","- C112 H156 K4 N4 O12 V2 -","- C224 H312 K8 N8 O24 V4 -","2","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Nitrogen Atom Transfer from a Dinitrogen-Derived Vanadium Nitride Complex to Carbon Monoxide and Isocyanide.","Journal of the American Chemical Society","2014","","","141125125639001","","10.1021/ja510317h","","","0.71075","MoKα","","0.0817","0.0615","","","0.1473","0.1622","","","","","","1.068","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123042","17.064","0.002","17.2356","0.0015","18.934","0.002","116.88","0.009","96.196","0.009","109.314","0.009","4462.8","1.1","123","","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H127 K2 N4 O8 V2 -","- C93 H127 K2 N4 O8 V2 -","- C186 H254 K4 N8 O16 V4 -","2","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Nitrogen Atom Transfer from a Dinitrogen-Derived Vanadium Nitride Complex to Carbon Monoxide and Isocyanide.","Journal of the American Chemical Society","2014","","","141125125639001","","10.1021/ja510317h","","","0.71075","MoKα","","0.1711","0.0736","","","0.1494","0.2237","","","","","","1.135","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123043","13.168","0.003","14.008","0.003","20.555","0.004","108.112","0.0019","91.266","0.0019","116.77","0.003","3158.2","1.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H94 K N4 O10 V -","- C64 H94 K N4 O10 V -","- C128 H188 K2 N8 O20 V2 -","2","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Nitrogen Atom Transfer from a Dinitrogen-Derived Vanadium Nitride Complex to Carbon Monoxide and Isocyanide.","Journal of the American Chemical Society","2014","","","141125125639001","","10.1021/ja510317h","","","0.71075","MoKα","","0.1003","0.0649","","","0.1341","0.1565","","","","","","1.06","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123044","13.6344","0.0017","13.6344","0.0017","34.41","0.004","90","","90","","120","","5539.7","1.2","123","2","123","2","","","","","","","","6","P 32","P 32","145","","","","- C76 H111 K N5 O10 V -","- C76 H111 K N5 O10 V -","- C228 H333 K3 N15 O30 V3 -","3","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Nitrogen Atom Transfer from a Dinitrogen-Derived Vanadium Nitride Complex to Carbon Monoxide and Isocyanide.","Journal of the American Chemical Society","2014","","","141125125639001","","10.1021/ja510317h","","","0.71075","MoKα","","0.0733","0.0558","","","0.1204","0.1332","","","","","","1.053","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123045","7.9111","0.0003","11.4711","0.0004","15.1101","0.0006","96.671","0.002","102.582","0.002","97.379","0.002","1312.41","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(BPI)Cu(3,4-OMe2)","hartwig65","","- C27.61 H23 Cl1.23 Cu N5 O4.39 -","- C27.614 H23 Cl1.228 Cu N5 O4.386 -","- C55.228 H46 Cl2.456 Cu2 N10 O8.772 -","2","1","","Tran, Ba L.; Driess, Matthias; Hartwig, John F.","Copper-Catalyzed Oxidative Dehydrogenative Carboxylation of Unactivated Alkanes to Allylic Esters via Alkenes.","Journal of the American Chemical Society","2014","","","141125144245005","","10.1021/ja510093x","","","0.71073","MoKα","","0.0443","0.0387","","","0.0901","0.0945","","","","","","1.042","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4123046","14.0463","0.0006","22.0426","0.0009","7.97","0.0003","90","","96.867","0.002","90","","2449.95","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(BPI)Cu(2,6-OMe2)","hartwig64","","- C27 H25 Cu N5 O6 -","- C27 H25 Cu N5 O6 -","- C108 H100 Cu4 N20 O24 -","4","1","","Tran, Ba L.; Driess, Matthias; Hartwig, John F.","Copper-Catalyzed Oxidative Dehydrogenative Carboxylation of Unactivated Alkanes to Allylic Esters via Alkenes.","Journal of the American Chemical Society","2014","","","141125144245005","","10.1021/ja510093x","","","0.71073","MoKα","","0.0383","0.03","","","0.0672","0.0709","","","","","","1.039","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123047","15.683","0.003","15.683","0.003","11.5526","0.0016","90","","90","","120","","2460.8","0.7","173","2","173","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C16 In N2 O9.5 -","- C16 In N2 O9.5 -","- C48 In3 N6 O28.5 -","3","0.25","","Pan, Liang; Liu, Gang; Li, Hui; Meng, Sheng; Han, Lei; Shang, Jie; Chen, Bin; Platero-Prats, Ana E; Lu, Wei; Zou, Xiaodong; Li, Run-Wei","A Resistance-Switchable and Ferroelectric Metal-Organic Framework.","Journal of the American Chemical Society","2014","","","141203161926003","","10.1021/ja508592f","","","0.71073","MoKα","","0.1152","0.0744","","","0.2025","0.2198","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123048","10.7302","0.001","10.1147","0.0009","16.0345","0.0015","90","","90.386","0.002","90","","1740.2","0.3","130","","130","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 O -","- C22 H26 O -","- C88 H104 O4 -","4","1","","Zhao, Chenglong; Jia, Xiao; Wang, Xuan; Gong, Hegui","Ni-Catalyzed Reductive Coupling of Alkyl Acids with Unactivated Tertiary Alkyl and Glycosyl Halides.","Journal of the American Chemical Society","2014","","","141204123340001","","10.1021/ja510653n","","","0.71073","MoKα","","0.0831","0.0554","","","0.1391","0.1573","","","","","","1.047","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123049","8.227","0.0009","26.921","0.003","10.8369","0.0011","90","","90.331","0.006","90","","2400.1","0.4","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H32 Br N O2 -","- C27 H32 Br N O2 -","- C108 H128 Br4 N4 O8 -","4","2","","Murakami, Keiichi; Sasano, Yusuke; Tomizawa, Masaki; Shibuya, Masatoshi; Kwon, Eunsang; Iwabuchi, Yoshiharu","Highly Enantioselective Organocatalytic Oxidative Kinetic Resolution of Secondary Alcohols Using Chiral Alkoxyamines as Precatalysts: Catalyst Structure, Active Species, and Substrate Scope.","Journal of the American Chemical Society","2014","","","141205132142002","","10.1021/ja509766f","","","0.71075","MoKα","","","0.0581","","","","0.1305","","","","","","1.117","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123050","18.3041","0.0019","17.6314","0.0018","14.4784","0.0015","90","","90","","90","","4672.6","0.8","301","2","301","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H24 S3 Si -","- C24 H24 S3 Si -","- C192 H192 S24 Si8 -","8","2","","Chan, Jacky Chi-Hung; Lam, Wai Han; Yam, Vivian Wing-Wah","A Highly Efficient Silole-Containing Dithienylethene with Excellent Thermal Stability and Fatigue Resistance: A Promising Candidate for Optical Memory Storage Materials.","Journal of the American Chemical Society","2014","","","141126091854009","","10.1021/ja5101855","","","0.71073","MoKα","","0.063","0.0496","","","0.1204","0.1296","","","","","","1.027","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123051","21.954","0.003","22.904","0.003","24.02","0.005","111.03","0.002","106.034","0.002","107.928","0.002","9656","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C312 H496 Ga12 N10 O170 Tl1.4 -","- C287.2 H250 Ga12 N7.2 O128.8 Tl1.4 -","- C287.2 H250 Ga12 N7.2 O128.8 Tl1.4 -","1","0.5","","Kumari, Harshita; Jin, Ping; Teat, Simon J.; Barnes, Charles L.; Dalgarno, Scott J.; Atwood, Jerry L.","Strong Cation···π Interactions Promote the Capture of Metal Ions within Metal-Seamed Nanocapsule.","Journal of the American Chemical Society","2014","","","141126123744004","","10.1021/ja5107354","","","0.71073","MoKα","","0.2019","0.1029","","","0.2882","0.3721","","","","","","1.174","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123052","21.834","0.002","22.851","0.003","23.985","0.004","111.113","0.002","105.909","0.002","108.18","0.001","9545","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C288 H528 Ga12 N14 O178 Rb1.77 Tl1.74 -","- C278.8 H260.2 Ga12 N10.5 O136.4 Rb1.768 Tl1.74 -","- C278.8 H260.2 Ga12 N10.5 O136.4 Rb1.768 Tl1.74 -","1","0.5","","Kumari, Harshita; Jin, Ping; Teat, Simon J.; Barnes, Charles L.; Dalgarno, Scott J.; Atwood, Jerry L.","Strong Cation···π Interactions Promote the Capture of Metal Ions within Metal-Seamed Nanocapsule.","Journal of the American Chemical Society","2014","","","141126123744004","","10.1021/ja5107354","","","0.71073","MoKα","","0.2003","0.101","","","0.293","0.357","","","","","","1.115","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123053","21.915","0.0017","22.9674","0.0017","24.021","0.003","111.226","0.001","106.028","0.001","107.9","0.001","9648","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C298 H552 Ga12 K2 N8 O148 Tl0.74 -","- C281.5 H276 Ga12 K2 N6 O134.4 Tl0.74 -","- C281.5 H276 Ga12 K2 N6 O134.4 Tl0.74 -","1","0.5","","Kumari, Harshita; Jin, Ping; Teat, Simon J.; Barnes, Charles L.; Dalgarno, Scott J.; Atwood, Jerry L.","Strong Cation···π Interactions Promote the Capture of Metal Ions within Metal-Seamed Nanocapsule.","Journal of the American Chemical Society","2014","","","141126123744004","","10.1021/ja5107354","","","0.71073","MoKα","","0.1343","0.0844","","","0.2542","0.305","","","","","","1.065","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123054","19.225","0.005","23.737","0.006","25.093","0.006","79.918","0.006","71.066","0.006","77.757","0.006","10515","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H304 N36 O98 Pd6 -","- C144 H180 N31 O21 Pd6 -","- C288 H360 N62 O42 Pd12 -","2","1","","Samanta, Dipak; Mukherjee, Partha Sarathi","Sunlight-Induced Covalent Marriage of Two Triply Interlocked Pd6 Cages and Their Facile Thermal Separation.","Journal of the American Chemical Society","2014","","","141201090511001","","10.1021/ja511360e","","","0.71073","MoKα","","0.1819","0.149","","","0.413","0.4312","","","","","","1.672","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123055","18.9972","0.0019","23.139","0.002","25.029","0.003","76.364","0.003","71.122","0.002","70.708","0.003","9723","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H250 N36 O71 Pd6 -","- C144 H180 N33 O59 Pd6 -","- C288 H360 N66 O118 Pd12 -","2","1","","Samanta, Dipak; Mukherjee, Partha Sarathi","Sunlight-Induced Covalent Marriage of Two Triply Interlocked Pd6 Cages and Their Facile Thermal Separation.","Journal of the American Chemical Society","2014","","","141201090511001","","10.1021/ja511360e","","","0.71073","MoKα","","0.1431","0.0996","","","0.2632","0.2848","","","","","","1.013","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123056","6.7868","0.0001","10.8904","0.0002","15.7778","0.0002","70.88","0.001","81.554","0.001","83.156","0.001","1086.72","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H24 N2 O9 -","- C23 H24 N2 O9 -","- C46 H48 N4 O18 -","2","1","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","0.71073","MoKα","","0.0925","0.0542","","","0.1219","0.1414","","","","","","1.045","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123057","6.8961","0.0002","8.0293","0.0003","12.3435","0.0004","89.213","0.001","83.73","0.002","73.487","0.002","651.25","0.04","100","2","99.98","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N6 O4 -","- C30 H30 N6 O4 -","- C30 H30 N6 O4 -","1","0.5","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","1.54178","CuKα","","0.0321","0.0314","","","0.0832","0.0838","","","","","","1.056","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123058","6.7603","0.0007","10.8522","0.0011","15.785","0.002","71.882","0.009","81.81","0.009","84.105","0.008","1087.3","0.2","84","2","84.64","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H49 N5 O17 -","- C46 H49 N5 O17 -","- C46 H49 N5 O17 -","1","0.5","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","1.54178","CuKα","","0.0771","0.0568","","","0.1528","0.1692","","","","","","1.018","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123059","6.6667","0.0003","23.3906","0.001","8.3455","0.0003","90","","104.657","0.003","90","","1259.03","0.09","84","2","84.33","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O10 -","- C28 H28 N2 O10 -","- C56 H56 N4 O20 -","2","0.5","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","0.71073","MoKα","","0.1129","0.0653","","","0.1522","0.1763","","","","","","1.024","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123060","9.5063","0.0004","12.1715","0.0006","12.8872","0.0006","61.896","0.003","89.095","0.003","76.689","0.003","1272.5","0.11","84","2","84.44","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 N4 O8 -","- C28 H30 N4 O8 -","- C56 H60 N8 O16 -","2","1","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","0.71073","MoKα","","0.0792","0.0533","","","0.1318","0.1468","","","","","","1.03","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4123061","6.9937","0.0002","11.8675","0.0002","17.5154","0.0003","90","","100.896","0.001","90","","1427.53","0.05","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 N4 O8 -","- C34 H32 N4 O8 -","- C68 H64 N8 O16 -","2","0.5","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","1.54178","CuKα","","0.0573","0.0541","","","0.1463","0.1497","","","","","","1.043","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123062","6.951","0.0002","8.6966","0.0002","12.1281","0.0003","72.093","0.002","76.054","0.002","80.941","0.002","674.3","0.03","100","2","100.02","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N4 O8 -","- C32 H32 N4 O8 -","- C32 H32 N4 O8 -","1","0.5","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","0.71073","MoKα","","0.1357","0.0773","","","0.2129","0.254","","","","","","1.079","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123063","11.9236","0.0004","6.9553","0.0003","16.7123","0.0005","90","","104.157","0.002","90","","1343.89","0.08","85","2","84.91","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O10 S4 -","- C26 H28 N2 O10 S4 -","- C52 H56 N4 O20 S8 -","2","0.5","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","1.54178","CuKα","","0.0483","0.0439","","","0.1187","0.1224","","","","","","1.071","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123064","10.9811","0.0008","12.4287","0.0008","12.9441","0.0009","94.62","0.005","112.518","0.005","109.84","0.005","1489.3","0.2","85","2","85.28","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H33 N3 O8 -","- C38 H33 N3 O8 -","- C76 H66 N6 O16 -","2","1","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","1.54178","CuKα","","0.0838","0.0587","","","0.1605","0.1798","","","","","","1.063","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123065","32.625","0.003","6.6459","0.0007","15.0606","0.0015","90","","95.288","0.006","90","","3251.6","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 N2 O12 S2 -","- C32 H40 N2 O12 S2 -","- C128 H160 N8 O48 S8 -","4","0.5","","Blackburn, Anthea K.; Sue, Andrew C.-H.; Shveyd, Alexander K.; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S.; Szarko, Jodi M.; Bozdemir, Ozgur A.; Wakabayashi, Rie; Lehrman, Jessica A.; Kahr, Bart; Chen, Lin X.; Nassar, Majed S.; Stupp, Samuel I.; Stoddart, J. Fraser","Lock-Arm Supramolecular Ordering: A Molecular Construction Set for Cocrystallizing Organic Charge Transfer Complexes.","Journal of the American Chemical Society","2014","","","141124065827003","","10.1021/ja509442t","","","0.71073","MoKα","","0.055","0.0397","","","0.1001","0.1145","","","","","","1.098","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123066","15.8091","0.0011","13.0726","0.0009","21.0353","0.0015","90","","105.228","0.0011","90","","4194.6","0.5","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H68 Th -","- C48 H68 Th -","- C192 H272 Th4 -","4","0.5","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.022","0.019","","","0.042","0.0428","","","","","","1.027","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123067","10.6273","0.0008","12.6345","0.001","21.4306","0.0016","92.172","0.001","103.965","0.001","104.885","0.001","2683.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H85 Cl O Th -","- C61 H85 Cl O Th -","- C122 H170 Cl2 O2 Th2 -","2","1","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.0331","0.0278","","","0.0651","0.0672","","","","","","1.054","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123068","30.937","0.004","10.7644","0.0015","37.102","0.004","90","","125.205","0.008","90","","10096","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H71 S2 Th -","- C52 H71 S2 Th -","- C416 H568 S16 Th8 -","8","2","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.0709","0.0435","","","0.0834","0.0902","","","","","","0.944","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123069","11.7337","0.0006","23.9476","0.0012","18.4523","0.001","90","","90.796","0.001","90","","5184.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H73 N S Th -","- C55 H73 N S Th -","- C220 H292 N4 S4 Th4 -","4","1","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.0412","0.0289","","","0.062","0.0665","","","","","","0.995","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123070","13.0567","0.0014","17.4865","0.0018","27.078","0.003","80.947","0.002","81.742","0.002","88.587","0.002","6042","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H90 N2 Th -","- C61 H90 N2 Th -","- C244 H360 N8 Th4 -","4","2","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.1013","0.0565","","","0.1192","0.1399","","","","","","0.968","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123071","23.875","0.002","18.2742","0.0018","19.869","0.002","90","","123.613","0.002","90","","7219.3","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H126 O2 Th -","- C84 H126 O2 Th -","- C336 H504 O8 Th4 -","4","0.5","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.0363","0.0299","","","0.0717","0.0745","","","","","","1.032","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123072","11.3317","0.0009","12.9233","0.0011","18.2014","0.0016","76.814","0.001","75.328","0.002","67.654","0.001","2358.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H77 N Si Th -","- C51 H77 N Si Th -","- C102 H154 N2 Si2 Th2 -","2","1","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.0346","0.028","","","0.0593","0.0617","","","","","","1.011","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123073","10.42","0.002","18.183","0.004","13.287","0.003","90","","93.105","0.004","90","","2513.8","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C61 H76 N2 Th -","- C61 H76 N2 Th -","- C122 H152 N4 Th2 -","2","1","","Fang, Bo; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Maron, Laurent; Walter, Marc D.","An Actinide Metallacyclopropene Complex: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2014","","","141202122629003","","10.1021/ja509770t","","","0.71073","MoKα","","0.0793","0.0623","","","0.1089","0.1175","","","","","","1.063","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123074","10.159","0.003","11.241","0.003","11.273","0.003","96.42","0.007","102.856","0.007","114.267","0.007","1113.9","0.5","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 B Cl N3 O5 -","- C23 H21 B Cl N3 O5 -","- C46 H42 B2 Cl2 N6 O10 -","2","1","","St Denis, Jeffrey D.; Zajdlik, Adam; Tan, Joanne; Trinchera, Piera; Lee, C. Frank; He, Zhi; Adachi, Shinya; Yudin, Andrei K.","Boron-Containing Enamine and Enamide Linchpins in the Synthesis of Nitrogen Heterocycles.","Journal of the American Chemical Society","2014","","","141205135107007","","10.1021/ja510963k","","","0.71073","MoKα","","0.0366","0.0335","","","0.0862","0.0891","","","","","","1.034","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123075","7.1823","0.0007","16.881","0.002","22.071","0.002","90","","96.064","0.006","90","","2661","0.5","147","2","147","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 B Br Cl N2 O5 -","- C28 H25 B Br Cl N2 O5 -","- C112 H100 B4 Br4 Cl4 N8 O20 -","4","1","","St Denis, Jeffrey D.; Zajdlik, Adam; Tan, Joanne; Trinchera, Piera; Lee, C. Frank; He, Zhi; Adachi, Shinya; Yudin, Andrei K.","Boron-Containing Enamine and Enamide Linchpins in the Synthesis of Nitrogen Heterocycles.","Journal of the American Chemical Society","2014","","","141205135107007","","10.1021/ja510963k","","","0.71073","MoKα","","0.1058","0.0561","","","0.1185","0.1364","","","","","","1.008","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123076","14.0723","0.0006","14.5531","0.0006","7.3488","0.0003","90","","99.001","0.002","90","","1486.47","0.11","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F3 N O -","- C18 H14 F3 N O -","- C72 H56 F12 N4 O4 -","4","1","","St Denis, Jeffrey D.; Zajdlik, Adam; Tan, Joanne; Trinchera, Piera; Lee, C. Frank; He, Zhi; Adachi, Shinya; Yudin, Andrei K.","Boron-Containing Enamine and Enamide Linchpins in the Synthesis of Nitrogen Heterocycles.","Journal of the American Chemical Society","2014","","","141205135107007","","10.1021/ja510963k","","","1.54178","CuKα","","0.05","0.0483","","","0.12","0.1211","","","","","","1.1","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123077","5.65","0.0006","11.4069","0.0012","19.702","0.002","90","","93.531","0.002","90","","1267.4","0.2","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N3 P -","- C14 H14 N3 P -","- C56 H56 N12 P4 -","4","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.045","0.0412","","","0.1128","0.1155","","","","","","1.226","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123078","7.002","0.003","12.529","0.004","32.212","0.011","90","","90","","90","","2825.9","1.8","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Cl2 N3 P -","- C14 H14 Cl2 N3 P -","- C112 H112 Cl16 N24 P8 -","8","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.0465","0.042","","","0.103","0.1056","","","","","","1.112","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123079","9.481","0.004","10.44","0.004","23.696","0.009","90","","94.909","0.006","90","","2336.9","1.6","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 N4 P -","- C26 H33 N4 P -","- C104 H132 N16 P4 -","4","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.0896","0.0727","","","0.1841","0.1979","","","","","","1.03","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123080","10.226","0.005","13.074","0.006","17.348","0.008","70.969","0.008","80.335","0.008","71.356","0.008","2072.3","1.7","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 N4 P -","- C23 H27 N4 P -","- C92 H108 N16 P4 -","4","2","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.1012","0.0689","","","0.1513","0.1692","","","","","","1.026","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123081","26.49","0.009","26.49","0.009","13.871","0.004","90","","90","","120","","8430","5","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20.17 H21 Cl0.5 N4 P -","- C20.1667 H21 Cl0.5 N4 P -","- C363 H378 Cl9 N72 P18 -","18","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.1401","0.0875","","","0.2042","0.2347","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123082","5.24","0.002","10.285","0.005","16.928","0.007","91.277","0.007","92.317","0.007","96.133","0.008","906","0.7","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N3 O2 P -","- C21 H20 N3 O2 P -","- C42 H40 N6 O4 P2 -","2","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.0484","0.0435","","","0.1167","0.1216","","","","","","0.951","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123083","15.119","0.006","5.367","0.002","21.576","0.011","90","","99.935","0.01","90","","1724.5","1.3","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N3 O P -","- C20 H20 N3 O P -","- C80 H80 N12 O4 P4 -","4","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.1209","0.0719","","","0.1412","0.1602","","","","","","1.023","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123084","6.02","0.0012","18.018","0.004","15.917","0.003","90","","96.614","0.003","90","","1715","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N3 O P -","- C18 H24 N3 O P -","- C72 H96 N12 O4 P4 -","4","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.044","0.0393","","","0.1176","0.1262","","","","","","0.703","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123085","13.646","0.006","5.483","0.002","19.372","0.009","90","","104.307","0.007","90","","1404.5","1","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N3 P Se -","- C14 H14 N3 P Se -","- C56 H56 N12 P4 Se4 -","4","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.0817","0.0496","","","0.1011","0.1112","","","","","","0.978","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123086","10.8518","0.001","14.8683","0.0014","21.679","0.002","90","","90","","90","","3497.9","0.6","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H47 Cl Co N2 P -","- C41 H47 Cl Co N2 P -","- C164 H188 Cl4 Co4 N8 P4 -","4","1","","Mo, Zhenbo; Xiao, Jie; Gao, Yafei; Deng, Liang","Regio- and Stereoselective Hydrosilylation of Alkynes Catalyzed by Three-Coordinate Cobalt(I) Alkyl and Silyl Complexes.","Journal of the American Chemical Society","2014","","","141209075314002","","10.1021/ja510924v","","","0.71073","MoKα","","0.0346","0.028","","","0.0647","0.067","","","","","","1.01","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123087","40.118","0.005","10.1313","0.0013","19.364","0.003","90","","93.027","0.002","90","","7859.5","1.9","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H58 Co N2 P Si -","- C45 H58 Co N2 P Si -","- C360 H464 Co8 N16 P8 Si8 -","8","1","","Mo, Zhenbo; Xiao, Jie; Gao, Yafei; Deng, Liang","Regio- and Stereoselective Hydrosilylation of Alkynes Catalyzed by Three-Coordinate Cobalt(I) Alkyl and Silyl Complexes.","Journal of the American Chemical Society","2014","","","141209075314002","","10.1021/ja510924v","","","0.71073","MoKα","","0.071","0.0423","","","0.1022","0.1157","","","","","","1.016","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123088","10.378","0.002","13.095","0.003","18.259","0.004","81.92","0.004","78.351","0.004","73.214","0.004","2317.8","0.9","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H65 Co N2 P Si -","- C56 H65 Co N2 P Si -","- C112 H130 Co2 N4 P2 Si2 -","2","1","","Mo, Zhenbo; Xiao, Jie; Gao, Yafei; Deng, Liang","Regio- and Stereoselective Hydrosilylation of Alkynes Catalyzed by Three-Coordinate Cobalt(I) Alkyl and Silyl Complexes.","Journal of the American Chemical Society","2014","","","141209075314002","","10.1021/ja510924v","","","0.71073","MoKα","","0.1466","0.0686","","","0.1624","0.2326","","","","","","1.064","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123089","10.4302","0.0008","21.6815","0.0017","15.8328","0.0013","90","","102.28","0.002","90","","3498.5","0.5","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H53 Co N2 Si -","- C41 H53 Co N2 Si -","- C164 H212 Co4 N8 Si4 -","4","1","","Mo, Zhenbo; Xiao, Jie; Gao, Yafei; Deng, Liang","Regio- and Stereoselective Hydrosilylation of Alkynes Catalyzed by Three-Coordinate Cobalt(I) Alkyl and Silyl Complexes.","Journal of the American Chemical Society","2014","","","141209075314002","","10.1021/ja510924v","","","0.71073","MoKα","","0.0976","0.0473","","","0.0878","0.1023","","","","","","1.026","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123090","6.799","0.002","17.085","0.005","17.516","0.005","68.123","0.011","83.058","0.014","77.859","0.014","1843.9","0.9","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 O2 Si -","- C19 H27 O2 Si -","- C76 H108 O8 Si4 -","4","2","","Tani, Yosuke; Fujihara, Tetsuaki; Terao, Jun; Tsuji, Yasushi","Copper-Catalyzed Regiodivergent Silacarboxylation of Allenes with Carbon Dioxide and a Silylborane.","Journal of the American Chemical Society","2014","","","141212124847001","","10.1021/ja512040c","","","0.7107","MoKα","","","0.0795","","","","0.2242","","","","","","1.052","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123093","12.729","0.006","14.432","0.007","17.929","0.008","89.22","0.005","72.659","0.006","76.126","0.006","3046","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H96 Fe2 N4 O2 Sc2 Si4 -","- C52 H96 Fe2 N4 O2 Sc2 Si4 -","- C104 H192 Fe4 N8 O4 Sc4 Si8 -","2","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.1165","0.0943","","","0.242","0.258","","","","","","0.982","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123094","24.002","0.003","15.7124","0.0016","20.586","0.002","90","","90","","90","","7763.6","1.5","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C71 H117 Fe2 N4 O2 Sc2 Si4 -","- C71 H117 Fe2 N4 O2 Sc2 Si4 -","- C284 H468 Fe8 N16 O8 Sc8 Si16 -","4","0.5","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.076","0.0632","","","0.1593","0.1656","","","","","","1.137","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123095","14.381","0.002","14.514","0.002","17.253","0.003","90","","90","","90","","3601.1","0.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H53 Fe N2 O Sc Si2 -","- C33 H53 Fe N2 O Sc Si2 -","- C132 H212 Fe4 N8 O4 Sc4 Si8 -","4","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.0675","0.0584","","","0.1634","0.1744","","","","","","1.035","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123096","11.534","0.003","13.143","0.003","20.525","0.005","71.835","0.002","87.753","0.002","79.358","0.002","2904.9","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C101 H180 F4 Fe4 N8 O2 Sc4 Si8 -","- C101 H180 F4 Fe4 N8 O2 Sc4 Si8 -","- C101 H180 F4 Fe4 N8 O2 Sc4 Si8 -","1","0.5","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.0605","0.0458","","","0.1071","0.1126","","","","","","1.043","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123097","11.618","0.006","15.479","0.006","16.953","0.007","77.348","0.005","87.648","0.005","88.981","0.003","2972","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H46 Fe N2 O Si2 Y -","- C26 H46 Fe N2 O Si2 Y -","- C104 H184 Fe4 N8 O4 Si8 Y4 -","4","2","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.1156","0.0957","","","0.2607","0.2659","","","","","","1.77","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123098","9.7595","0.001","29.761","0.003","12.8474","0.0013","90","","94.539","0.001","90","","3719.9","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35.08 H58.22 Fe I0.15 N2 O2 Si2 Y -","- C35.0838 H58.2365 Fe I0.1527 N2 O2 Si2 Y -","- C140.335 H232.946 Fe4 I0.6108 N8 O8 Si8 Y4 -","4","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.038","0.0346","","","0.0721","0.0731","","","","","","1.162","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123099","10.815","0.001","12.4852","0.0011","23.535","0.002","95.936","0.001","100.12","0.001","104.381","0.001","2994.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H94 Fe2 Lu2 N4 O2 Si4 -","- C52 H94 Fe2 Lu2 N4 O2 Si4 -","- C104 H188 Fe4 Lu4 N8 O4 Si8 -","2","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.0286","0.0232","","","0.0555","0.0574","","","","","","1.025","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123100","9.7679","0.0012","29.678","0.004","12.8261","0.0016","90","","94.391","0.001","90","","3707.3","0.8","105","2","105","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35.7 H58.75 Fe I0.05 Lu N2 O2 Si2 -","- C35.7012 H58.751 Fe I0.0498 Lu N2 O2 Si2 -","- C142.805 H235.004 Fe4 I0.1992 Lu4 N8 O8 Si8 -","4","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.0222","0.0193","","","0.0404","0.0413","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123101","15.367","0.005","13.525","0.004","19.513","0.006","90","","104.036","0.003","90","","3934","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H61 Fe Lu N2 O2 Si2 -","- C40 H61 Fe Lu N2 O2 Si2 -","- C160 H244 Fe4 Lu4 N8 O8 Si8 -","4","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.0461","0.038","","","0.0916","0.0961","","","","","","1.046","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123102","11.682","0.004","11.922","0.004","17.793","0.005","80.603","0.003","86.689","0.003","62.727","0.003","2172.6","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H60 Fe Li Lu N2 O Si2 -","- C46 H60 Fe Li Lu N2 O Si2 -","- C92 H120 Fe2 Li2 Lu2 N4 O2 Si4 -","2","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.031","0.0258","","","0.0554","0.0575","","","","","","1.049","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123103","10.85","0.001","12.5353","0.0012","23.562","0.002","95.965","0.001","100.115","0.001","104.448","0.001","3018.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H94 Er2 Fe2 N4 O2 Si4 -","- C52 H94 Er2 Fe2 N4 O2 Si4 -","- C104 H188 Er4 Fe4 N8 O4 Si8 -","2","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.026","0.0209","","","0.0457","0.0471","","","","","","1.034","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123104","10.3102","0.0012","22.263","0.003","16.831","0.002","90","","90.324","0.0015","90","","3863.3","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 F5 Fe N2 O Sc Si2 -","- C35 H53 F5 Fe N2 O Sc Si2 -","- C140 H212 F20 Fe4 N8 O4 Sc4 Si8 -","4","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.0431","0.0324","","","0.0776","0.0833","","","","","","0.981","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123105","6.6033","0.0014","26.229","0.006","9.322","0.002","90","","95.63","0.003","90","","1606.8","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Lu, Ping; Mailyan, Artur; Gu, Zhenhua; Guptill, David; Wang, Hengbin; Davies, Huw M. L.; Zakarian, Armen","Enantioselective Synthesis of (-)-Maoecrystal V by Enantiodetermining C-H Functionalization.","Journal of the American Chemical Society","2014","","","141211134508005","","10.1021/ja510573v","","","0.71073","MoKα","","0.0642","0.047","","","0.0658","0.0672","","","","","","2.033","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123106","5.7636","0.0002","16.0522","0.0004","28.0601","0.0007","90","","90","","90","","2596.08","0.13","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 Br N O4 -","- C27 H32 Br N O4 -","- C108 H128 Br4 N4 O16 -","4","1","","Badiola, Eider; Fiser, Béla; Gómez-Bengoa, Enrique; Mielgo, Antonia; Olaizola, Iurre; Urruzuno, Iñaki; García, Jesús M; Odriozola, José M; Razkin, Jesús; Oiarbide, Mikel; Palomo, Claudio","Enantioselective Construction of Tetrasubstituted Stereogenic Carbons through Brønsted Base Catalyzed Michael Reactions: α'-Hydroxy Enones as Key Enoate Equivalent.","Journal of the American Chemical Society","2014","","","141209140339003","","10.1021/ja510603w","","x-ray","0.71073","MoKα","","0.053","0.0445","","","0.0934","0.0967","","","","","","1.103","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123107","10.6309","0.0002","14.6523","0.0003","18.3905","0.0004","90","","104.407","0.0011","90","","2774.55","0.1","200","","200","","","","","","","","Research School of Chemistry","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 B N6 O2 P W -","- C24 H34 B N6 O2 P W -","- C96 H136 B4 N24 O8 P4 W4 -","4","1","","Colebatch, Annie L.; Hill, Anthony F.","Secondary Phosphinocarbyne and Phosphaisonitrile Complexes.","Journal of the American Chemical Society","2014","","","141208061520004","","10.1021/ja511308k","","","0.71073","MoKα","","0.0909","0.0575","","0.1606","0.1298","0.1606","","","","","","0.9724","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123108","14.6929","0.0003","23.4328","0.0005","15.9038","0.0003","90","","95.396","0.0018","90","","5451.35","0.19","150","","150","","","","","","","","Research School of Chemistry","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 B K N8 O8 P W -","- C42 H63 B K N8 O8 P W -","- C168 H252 B4 K4 N32 O32 P4 W4 -","4","1","","Colebatch, Annie L.; Hill, Anthony F.","Secondary Phosphinocarbyne and Phosphaisonitrile Complexes.","Journal of the American Chemical Society","2014","","","141208061520004","","10.1021/ja511308k","","","1.54184","CuKα","","0.0664","0.0614","","0.1122","0.1095","0.112","","","","","","0.9562","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123109","9.023","0.0008","10.7212","0.001","13.903","0.0013","103.245","0.002","94.106","0.002","110.337","0.002","1210.59","0.19","223.2","0.2","223.2","0.2","","","","","","","","5","P -1","-P 1","2","","2-methyl-9-phenyl-4-oxa-1-azaspiro[5.5]undecane chloride","","- C18 H26 Cl7 N O -","- C18 H26 Cl7 N O -","- C36 H52 Cl14 N2 O2 -","2","1","","Siau, Woon-Yew; Bode, Jeffrey W.","One-Step Synthesis of Saturated Spirocyclic N-Heterocycles with Stannyl Amine Protocol (SnAP) Reagents and Ketones.","Journal of the American Chemical Society","2014","","","141209160958008","","10.1021/ja511232b","","x-ray","0.71073","MoKα","","0.0649","0.0487","","","0.1239","0.1347","","","","","","1.048","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123110","13.9447","0.0018","20.027","0.002","10.2082","0.0013","90","","123.76","0.004","90","","2370.1","0.5","100","0.2","100","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H23 N O -","- C14 H23 N O -","- C112 H184 N8 O8 -","8","1","","Siau, Woon-Yew; Bode, Jeffrey W.","One-Step Synthesis of Saturated Spirocyclic N-Heterocycles with Stannyl Amine Protocol (SnAP) Reagents and Ketones.","Journal of the American Chemical Society","2014","","","141209160958008","","10.1021/ja511232b","","x-ray","0.71073","MoKα","","0.0488","0.0382","","","0.1026","0.1109","","","","","","1.056","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123111","19.79","0.011","25.183","0.014","6.297","0.004","90","","106.786","0.016","90","","3005","3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H14 N4 Ni -","- C20 H14 N4 Ni -","- C160 H112 N32 Ni8 -","8","2","","Moragas, Toni; Cornella, Josep; Martin, Ruben","Ligand-controlled Regiodivergent Ni-Catalyzed Reductive Carboxylation of Allyl Esters with CO2.","Journal of the American Chemical Society","2014","","","141212124924001","","10.1021/ja509077a","","","0.71073","MoKα","","0.1146","0.0639","","","0.1327","0.159","","","","","","1.065","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123112","16.002","0.002","16.073","0.002","35.407","0.005","90","","102.854","0.002","90","","8878","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N4 Ni -","- C28 H24 N4 Ni -","- C448 H384 N64 Ni16 -","16","4","","Moragas, Toni; Cornella, Josep; Martin, Ruben","Ligand-controlled Regiodivergent Ni-Catalyzed Reductive Carboxylation of Allyl Esters with CO2.","Journal of the American Chemical Society","2014","","","141212124924001","","10.1021/ja509077a","","","0.71073","MoKα","","0.1724","0.1456","","","0.3428","0.3669","","","","","","1.044","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123113","21.43","0.03","21.43","0.03","16.89","0.02","90","","90","","120","","6717","15","110","2","110","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C144 H72 Cl3 Fe3 N12 O24 Zr6 -","- C144 H72 Cl3 Fe3 N12 O24 Zr5.94 -","- C144 H72 Cl3 Fe3 N12 O24 Zr5.94 -","1","0.0833333","","Feng, Dawei; Gu, Zhi-Yuan; Chen, Ying-Pin; Park, Jihye; Wei, Zhangwen; Sun, Yujia; Bosch, Mathieu; Yuan, Shuai; Zhou, Hong-Cai","A Highly Stable Porphyrinic Zirconium Metal-Organic Frame-work with shp-a Topology.","Journal of the American Chemical Society","2014","","","141212123922008","","10.1021/ja510525s","","","0.71073","MoKα","","0.1922","0.1331","","","0.3131","0.3473","","","","","","1.013","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123114","14.751","0.001","24.8219","0.0016","19.4882","0.0014","90","","92.759","0.001","90","","7127.3","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Methylmarked Red House","","","- C80 H76 Mn4 N14 -","- C80 H76 Mn4 N14 -","- C320 H304 Mn16 N56 -","4","1","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.065","0.0429","","","0.1071","0.1204","","","","","","1.024","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4123115","11.1968","0.0016","11.5552","0.0016","17.838","0.003","89.739","0.003","86.275","0.003","77.148","0.002","2245.2","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H68 Mn2 N4 O2 Si4 -","- C34 H68 Mn2 N4 O2 Si4 -","- C68 H136 Mn4 N8 O4 Si8 -","2","1","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0506","0.0426","","","0.1138","0.1189","","","","","","1.036","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123116","8.746","0.003","10.811","0.004","11.224","0.004","100.65","0.007","94.51","0.007","96.956","0.007","1029.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H58 Mn2 N6 Si4 -","- C34 H58 Mn2 N6 Si4 -","- C34 H58 Mn2 N6 Si4 -","1","0.5","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0505","0.0435","","","0.1419","0.1445","","","","","","1.122","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123117","12.703","0.003","13.905","0.004","13.986","0.004","90","","97.69","0.005","90","","2448.2","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Phenol Mn Dimer w DPH","","","- C56 H52 Mn2 N8 O2 -","- C56 H52 Mn2 N8 O2 -","- C112 H104 Mn4 N16 O4 -","2","0.5","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0605","0.0452","","","0.1283","0.1424","","","","","","1.063","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123118","12.625","0.0009","15.0713","0.001","13.5101","0.0009","90","","98.284","0.001","90","","2543.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","MnCresolTerminalHydrazide","","","- C29 H28 Mn N4 O -","- C29 H28 Mn N4 O -","- C116 H112 Mn4 N16 O4 -","4","1","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0399","0.0312","","","0.0782","0.0822","","","","","","1.03","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123119","23.128","0.004","14.029","0.002","24.127","0.004","90","","108.484","0.003","90","","7424","2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H76.35 Mn4 N14.35 O0.65 -","- C83 H76.34 Mn4 N14.34 O0.66 -","- C332 H305.36 Mn16 N57.36 O2.64 -","4","1","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0536","0.0338","","","0.0737","0.0831","","","","","","1.009","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123120","16.7834","0.0016","15.7756","0.0015","17.4535","0.0016","90","","117.807","0.003","90","","4087.5","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Methyl-Marked Red House","","","- C90 H86 Mn4 N16 -","- C90 H86 Mn4 N16 -","- C180 H172 Mn8 N32 -","2","1","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0467","0.0404","","","0.1132","0.1204","","","","","","1.059","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123121","16.516","0.005","15.842","0.004","16.591","0.005","90","","116.311","0.004","90","","3891.3","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Red House","","","- C88 H82 Mn4 N16 -","- C88 H82 Mn4 N16 -","- C176 H164 Mn8 N32 -","2","1","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.163","0.071","","","0.1259","0.1587","","","","","","0.973","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123122","19.981","0.002","16.5186","0.0016","22.047","0.002","90","","109.417","0.002","90","","6862.9","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","All-Tolyl House","","","- C76 H78 Mn4 N12 -","- C76 H78 Mn4 N12 -","- C304 H312 Mn16 N48 -","4","0.5","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0686","0.0458","","","0.1179","0.1294","","","","","","1.033","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123123","8.8333","0.0017","17.029","0.003","14.282","0.003","90","","93.673","0.004","90","","2143.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H33 Mn N O2 Si2 -","- C17 H33 Mn N O2 Si2 -","- C68 H132 Mn4 N4 O8 Si8 -","4","1","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0399","0.0296","","","0.0678","0.0716","","","","","","1.03","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123124","11.2553","0.0007","17.7873","0.001","13.1292","0.0008","90","","96.7912","0.001","90","","2610","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H72 Mn2 N8 Si4 -","- C46 H72 Mn2 N8 Si4 -","- C92 H144 Mn4 N16 Si8 -","2","0.5","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0423","0.0321","","","0.0815","0.0869","","","","","","1.043","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123125","15.1502","0.0019","28.231","0.004","8.2921","0.001","90","","106.295","0.003","90","","3404.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MnBisBpy","","","- C24.5 H50 Mn N4 Si4 -","- C22 H44 Mn N4 Si4 -","- C88 H176 Mn4 N16 Si16 -","4","0.5","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.0357","0.0285","","","0.0744","0.0768","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123126","26.474","0.007","10.909","0.003","20.872","0.009","90","","127.903","0.005","90","","4756","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","MnBpyDPH Dimer","","","- C56 H50 Mn2 N10 -","- C56 H50 Mn2 N10 -","- C224 H200 Mn8 N40 -","4","0.5","","Hamilton, Clifton R.; Gau, Michael R.; Baglia, Regina A.; McWilliams, Sean F.; Zdilla, Michael J.","Mechanistic Elucidation of the Stepwise Formation of a Tetranuclear Manganese Pinned Butterfly Cluster via N-N Bond Cleavage, Hydrogen Atom Transfer, and Cluster Rearrangement.","Journal of the American Chemical Society","2014","","","141218154447008","","10.1021/ja508244x","","","0.71073","MoKα","","0.094","0.0486","","","0.0996","0.115","","","","","","1.008","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123127","20.26","0.003","13.91","0.002","29.599","0.004","90","","102.459","0.004","90","","8145","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 Cl4 F6 Fe P2 Pd -","- C35 H40 Cl4 F6 Fe P2 Pd -","- C280 H320 Cl32 F48 Fe8 P16 Pd8 -","8","2","","Potter, Bowman; Szymaniak, Adam A.; Edelstein, Emma K.; Morken, James P.","Nonracemic Allylic Boronates through Enantiotopic-Group-Selective Cross-Coupling of Geminal Bis(boronates) and Vinyl Halides.","Journal of the American Chemical Society","2014","","","141215065957008","","10.1021/ja510266x","","","0.71073","MoKα","","0.0555","0.0432","","","0.0993","0.1071","","","","","","1.027","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123128","12.766","0.003","11.529","0.003","16.076","0.004","90","","102.701","0.007","90","","2308.2","1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 B F2 N2 O -","- C28 H23 B F2 N2 O -","- C112 H92 B4 F8 N8 O4 -","4","1","","Yoshii, Ryousuke; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Functionalization of Boron Diiminates with Unique Optical Properties: Multicolor Tuning of Crystallization-Induced Emission and Introduction into the Main Chain of Conjugated Polymers.","Journal of the American Chemical Society","2014","","","141218122017004","","10.1021/ja510985v","","","0.71075","MoKα","","0.0823","0.0611","","","0.1542","0.1697","","","","","","1.048","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123129","17.226","0.007","23.087","0.01","6.148","0.003","90","","90","","90","","2445","1.9","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H26 B F2 N3 -","- C29 H26 B F2 N3 -","- C116 H104 B4 F8 N12 -","4","1","","Yoshii, Ryousuke; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Functionalization of Boron Diiminates with Unique Optical Properties: Multicolor Tuning of Crystallization-Induced Emission and Introduction into the Main Chain of Conjugated Polymers.","Journal of the American Chemical Society","2014","","","141218122017004","","10.1021/ja510985v","","","0.71075","MoKα","","0.167","0.0788","","","0.1351","0.1601","","","","","","1.025","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123130","12.223","0.004","11.721","0.004","15.042","0.004","90","","97.188","0.007","90","","2138.1","1.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 B F2 N2 -","- C27 H21 B F2 N2 -","- C108 H84 B4 F8 N8 -","4","1","","Yoshii, Ryousuke; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Functionalization of Boron Diiminates with Unique Optical Properties: Multicolor Tuning of Crystallization-Induced Emission and Introduction into the Main Chain of Conjugated Polymers.","Journal of the American Chemical Society","2014","","","141218122017004","","10.1021/ja510985v","","","0.71075","MoKα","","0.1898","0.0975","","","0.2343","0.2876","","","","","","1.026","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123131","8.1887","0.0005","10.9033","0.0008","40.705","0.003","90","","90","","90","","3634.3","0.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 B F2 N2 -","- C22 H19 B F2 N2 -","- C176 H152 B8 F16 N16 -","8","1","","Yoshii, Ryousuke; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Functionalization of Boron Diiminates with Unique Optical Properties: Multicolor Tuning of Crystallization-Induced Emission and Introduction into the Main Chain of Conjugated Polymers.","Journal of the American Chemical Society","2014","","","141218122017004","","10.1021/ja510985v","","","0.71075","MoKα","","0.1168","0.0677","","","0.1209","0.1385","","","","","","1.057","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123132","7.4932","0.0019","14.893","0.004","20.397","0.006","90","","90","","90","","2276.2","1.1","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 B F2 N3 O2 -","- C27 H20 B F2 N3 O2 -","- C108 H80 B4 F8 N12 O8 -","4","1","","Yoshii, Ryousuke; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Functionalization of Boron Diiminates with Unique Optical Properties: Multicolor Tuning of Crystallization-Induced Emission and Introduction into the Main Chain of Conjugated Polymers.","Journal of the American Chemical Society","2014","","","141218122017004","","10.1021/ja510985v","","","0.71075","MoKα","","0.132","0.0656","","","0.1108","0.1308","","","","","","1.017","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123133","10.7979","0.0003","12.0306","0.0004","21.0272","0.0007","75.806","0.003","78.375","0.002","72.389","0.003","2499.97","0.15","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 Cl N2 O7 Re -","- C59 H58 Cl N2 O7 Re -","- C118 H116 Cl2 N4 O14 Re2 -","2","1","","Movsisyan, Levon D.; Peeks, Martin D.; Greetham, Gregory M.; Towrie, Michael; Thompson, Amber L.; Parker, Anthony W.; Anderson, Harry L.","Photophysics of Threaded sp-Carbon Chains: The Polyyne is a Sink for Singlet and Triplet Excitation.","Journal of the American Chemical Society","2014","","","141218154756006","","10.1021/ja510663z","","","1.5418","CuKα","","0.0419","0.0338","","0.0795","0.0755","0.0795","","","","","","0.9775","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123134","26.3893","0.0002","13.8656","0.0001","39.2076","0.0003","90","","106.743","0.0008","90","","13738","0.19","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C143 H168 Cl N2 O7 Re -","- C143 H168 Cl N2 O7 Re -","- C572 H672 Cl4 N8 O28 Re4 -","4","1","","Movsisyan, Levon D.; Peeks, Martin D.; Greetham, Gregory M.; Towrie, Michael; Thompson, Amber L.; Parker, Anthony W.; Anderson, Harry L.","Photophysics of Threaded sp-Carbon Chains: The Polyyne is a Sink for Singlet and Triplet Excitation.","Journal of the American Chemical Society","2014","","","141218154756006","","10.1021/ja510663z","","","0.6889","Synchrotron","","0.0791","0.0669","","0.1309","0.1257","0.1309","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123138","12.2864","0.0003","12.6957","0.0003","12.8907","0.0004","86.4763","0.0008","88.5529","0.0008","71.3157","0.0007","1901.14","0.09","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Ag F6 N2 Sb -","- C48 H32 Ag F6 N2 Sb -","- C96 H64 Ag2 F12 N4 Sb2 -","2","1","","Omoto, Kenichiro; Tashiro, Shohei; Kuritani, Masumi; Shionoya, Mitsuhiko","Multipoint Recognition of Ditopic Aromatic Guest Molecules via Ag-π Interactions within a Dimetal Macrocycle.","Journal of the American Chemical Society","2014","","","141216134140000","","10.1021/ja5106249","","","0.71075","MoKα","","","0.029","","","","0.0763","","","","","","1.08","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123139","12.4086","0.0006","22.2413","0.0009","23.7368","0.001","92.379","0.001","90.228","0.001","105.396","0.001","6309.7","0.5","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C224.28 H197.68 Ag4 Cl24.85 F24 N8 O14.7 Sb4 -","- C224.284 H180.284 Ag4 Cl24.852 F24 N8 O14.704 Sb4 -","- C224.284 H180.284 Ag4 Cl24.852 F24 N8 O14.704 Sb4 -","1","0.5","","Omoto, Kenichiro; Tashiro, Shohei; Kuritani, Masumi; Shionoya, Mitsuhiko","Multipoint Recognition of Ditopic Aromatic Guest Molecules via Ag-π Interactions within a Dimetal Macrocycle.","Journal of the American Chemical Society","2014","","","141216134140000","","10.1021/ja5106249","","","0.71075","MoKα","","0.1247","0.0798","","","0.2229","0.2675","","","","","","1.112","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123140","29.8734","0.0019","36.531","0.002","24.3398","0.0014","90","","120.035","0.0014","90","","22995","2","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C130.39 H106.49 Ag2 F6 N4 O8 S2 -","- C130.392 H106.49 Ag2 F6 N4 O8 S2 -","- C1043.14 H851.92 Ag16 F48 N32 O64 S16 -","8","1","","Omoto, Kenichiro; Tashiro, Shohei; Kuritani, Masumi; Shionoya, Mitsuhiko","Multipoint Recognition of Ditopic Aromatic Guest Molecules via Ag-π Interactions within a Dimetal Macrocycle.","Journal of the American Chemical Society","2014","","","141216134140000","","10.1021/ja5106249","","","0.71075","MoKα","","0.1988","0.1276","","","0.3483","0.3917","","","","","","1.217","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123141","11.8793","0.0003","12.7449","0.0004","13.1635","0.0004","90.9228","0.0011","94.7179","0.0009","100.35","0.0009","1952.92","0.1","98","","98","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H34 Ag F6 N2 O Sb -","- C44 H34 Ag F6 N2 O Sb -","- C88 H68 Ag2 F12 N4 O2 Sb2 -","2","1","","Omoto, Kenichiro; Tashiro, Shohei; Kuritani, Masumi; Shionoya, Mitsuhiko","Multipoint Recognition of Ditopic Aromatic Guest Molecules via Ag-π Interactions within a Dimetal Macrocycle.","Journal of the American Chemical Society","2014","","","141216134140000","","10.1021/ja5106249","","","0.71075","MoKα","","0.0213","0.0196","","","0.0702","0.0757","","","","","","1.15","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123142","17.7926","0.0004","13.3933","0.0003","24.5823","0.0006","90","","99.1138","0.0007","90","","5784","0.2","96","","96","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65 H57 Ag Cl3 F6 N2 O2 Sb -","- C65 H57 Ag Cl3 F6 N2 O2 Sb -","- C260 H228 Ag4 Cl12 F24 N8 O8 Sb4 -","4","1","","Omoto, Kenichiro; Tashiro, Shohei; Kuritani, Masumi; Shionoya, Mitsuhiko","Multipoint Recognition of Ditopic Aromatic Guest Molecules via Ag-π Interactions within a Dimetal Macrocycle.","Journal of the American Chemical Society","2014","","","141216134140000","","10.1021/ja5106249","","","0.71075","MoKα","","","0.0812","","","","0.2368","","","","","","1.02","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123143","5.46","0.002","19.858","0.007","25.535","0.01","90","","90","","90","","2768.6","1.8","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16.5 Br O3 -","- C13 H16.5 Br O3 -","- C104 H132 Br8 O24 -","8","2","","Guptill, David M.; Davies, Huw M. L.","2,2,2-Trichloroethyl Aryldiazoacetates as Robust Reagents for the Enantioselective C-H Functionalization of Methyl Ethers.","Journal of the American Chemical Society","2014","","","141215145223006","","10.1021/ja5107404","","","0.71073","MoKα","","0.1946","0.0886","","","0.1995","0.2831","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123144","13.9306","0.0016","21.573","0.002","41.331","0.006","90","","90","","90","","12421","3","100","2","100","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C52 H78 Eu2 F12 N12 O13 P2 -","- C52 H78 Eu2 F12 N12 O13 P2 -","- C416 H624 Eu16 F96 N96 O104 P16 -","8","1","","Rodríguez-Rodríguez, Aurora; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Garda, Zoltán; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Lanthanide(III) Complexes with a Reinforced Cyclam Ligand Show Unprecedented Kinetic Inertness.","Journal of the American Chemical Society","2014","","","141219122522002","","10.1021/ja511331n","","x-ray","0.71073","MoKα","","0.1143","0.0671","","","0.1271","0.1451","","","","","","1.018","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123145","9.1551","0.0001","9.1571","0.0001","35.8168","0.0005","92.624","0.001","91.737","0.001","101.022","0.001","2941.86","0.06","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C41 H43 Cl5 F3 N3 O17 Pt S Si8 -","- C41 H43 Cl5 F3 N3 O17 Pt S Si8 -","- C82 H86 Cl10 F6 N6 O34 Pt2 S2 Si16 -","2","1","","Au-Yeung, Ho-Leung; Leung, Sammual Yu-Lut; Tam, Anthony Yiu-Yan; Yam, Vivian Wing-Wah","Transformable Nanostructures of Platinum-Containing Organosilane Hybrids: Non-covalent Self-Assembly of Polyhedral Oligomeric Silsesquioxanes Assisted by Pt···Pt and π-π Stacking Interactions of Alkynylplatinum(II) Terpyridine Moieties.","Journal of the American Chemical Society","2014","","","141219093104001","","10.1021/ja510048b","","","1.54178","CuKα","","0.0612","0.0605","","","0.1594","0.1601","","","","","","1.058","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123146","10.9333","0.0011","13.7311","0.0013","15.0616","0.0015","93.915","0.004","106.122","0.004","112.247","0.004","1971.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Fe(III)(OEP)(2-MeHIm)(NO), ClO4","","","- C40.5 H51 Cl2 Fe N7 O5 -","- C40.5 H51 Cl2 Fe N7 O5 -","- C81 H102 Cl4 Fe2 N14 O10 -","2","1","","Li, Jianfeng; Peng, Qian; Oliver, Allen G.; Alp, E. Ercan; Hu, Michael Y.; Zhao, Jiyong; Sage, J. Timothy; Scheidt, W. Robert","Comprehensive Fe-Ligand Vibration Identification in {FeNO}(6) Hemes.","Journal of the American Chemical Society","2014","","","141218154634001","","10.1021/ja5105766","","","0.71073","MoKα","","0.0615","0.054","","","0.1471","0.1564","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123147","32.764","0.0012","32.764","0.0012","32.257","0.002","90","","90","","90","","34627","3","173","2","173","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C136 H936 Cl24 Nd104 O692 -","- C120 H312 Cl24 Nd104 O534 -","- C240 H624 Cl48 Nd208 O1068 -","2","0.125","","Peng, Jun-Bo; Kong, Xiang-Jian; Zhang, Qian-Chong; Orendáč, Martin; Prokleška, Jan; Ren, Yan-Ping; Long, La-Sheng; Zheng, Zhiping; Zheng, Lan-Sun","Beauty, Symmetry, and Magnetocaloric Effect-Four-Shell Keplerates with 104 Lanthanide Atoms.","Journal of the American Chemical Society","2014","","","141218121523002","","10.1021/ja5107749","","","0.71073","MoKα","","0.1517","0.103","","","0.2193","0.2456","","","","","","1.029","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123148","28.4235","0.0009","29.0435","0.0008","29.0487","0.0009","77.113","0.002","61.544","0.003","71.479","0.003","19917","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H852 Cl28 Nd104 O676 -","- C112 H330 Cl28 Nd104 O532 -","- C112 H330 Cl28 Nd104 O532 -","1","0.5","","Peng, Jun-Bo; Kong, Xiang-Jian; Zhang, Qian-Chong; Orendáč, Martin; Prokleška, Jan; Ren, Yan-Ping; Long, La-Sheng; Zheng, Zhiping; Zheng, Lan-Sun","Beauty, Symmetry, and Magnetocaloric Effect-Four-Shell Keplerates with 104 Lanthanide Atoms.","Journal of the American Chemical Society","2014","","","141218121523002","","10.1021/ja5107749","","","0.71073","MoKα","","0.1915","0.0868","","","0.1741","0.2166","","","","","","0.887","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123149","28.065","0.004","28.197","0.004","28.503","0.004","64.603","0.002","65.165","0.002","60.816","0.002","17142","4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H852 Cl28 Gd104 O676 -","- C106 H318 Cl28 Gd104 O502 -","- C106 H318 Cl28 Gd104 O502 -","1","0.5","","Peng, Jun-Bo; Kong, Xiang-Jian; Zhang, Qian-Chong; Orendáč, Martin; Prokleška, Jan; Ren, Yan-Ping; Long, La-Sheng; Zheng, Zhiping; Zheng, Lan-Sun","Beauty, Symmetry, and Magnetocaloric Effect-Four-Shell Keplerates with 104 Lanthanide Atoms.","Journal of the American Chemical Society","2014","","","141218121523002","","10.1021/ja5107749","","","0.71073","MoKα","","0.2056","0.0986","","","0.2066","0.2281","","","","","","0.904","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123150","9.6573","0.0009","16.3977","0.0015","21.2536","0.0019","90","","94.398","0.001","90","","3355.8","0.5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H51 P3 Si3 W -","- C27 H51 P3 Si3 W -","- C108 H204 P12 Si12 W4 -","4","1","","Zuzek, Ashley A.; Neary, Michelle C.; Parkin, Gerard","σ-Silane, Disilanyl, and [W(μ-H)Si(μ-H)W] Bridging Silylene Complexes via the Reactions of W(PMe3)4(η(2)-CH2PMe2)H with Phenylsilanes.","Journal of the American Chemical Society","2014","","","141217070549000","","10.1021/ja510703s","","","0.71073","MoKα","","0.1062","0.0524","","","0.0943","0.1119","","","","","","1.012","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123151","9.5594","0.0007","9.4055","0.0007","29.378","0.002","90","","91.234","0.001","90","","2640.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H43 P3 Si W -","- C21 H43 P3 Si W -","- C84 H172 P12 Si4 W4 -","4","1","","Zuzek, Ashley A.; Neary, Michelle C.; Parkin, Gerard","σ-Silane, Disilanyl, and [W(μ-H)Si(μ-H)W] Bridging Silylene Complexes via the Reactions of W(PMe3)4(η(2)-CH2PMe2)H with Phenylsilanes.","Journal of the American Chemical Society","2014","","","141217070549000","","10.1021/ja510703s","","","0.71073","MoKα","","0.0487","0.0382","","","0.0696","0.0724","","","","","","1.154","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123152","11.276","0.002","13.112","0.002","18.316","0.003","75.844","0.003","81.307","0.003","84.182","0.003","2589.8","0.7","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C38.5 H82 P6 Si3 W2 -","- C38.5 H82 P6 Si3 W2 -","- C77 H164 P12 Si6 W4 -","2","1","","Zuzek, Ashley A.; Neary, Michelle C.; Parkin, Gerard","σ-Silane, Disilanyl, and [W(μ-H)Si(μ-H)W] Bridging Silylene Complexes via the Reactions of W(PMe3)4(η(2)-CH2PMe2)H with Phenylsilanes.","Journal of the American Chemical Society","2014","","","141217070549000","","10.1021/ja510703s","","","0.71073","MoKα","","0.0857","0.0411","","","0.056","0.0648","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123153","9.7561","0.0009","16.1203","0.0015","10.2677","0.001","90","","93.0754","0.0013","90","","1612.5","0.3","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H52 P4 Si2 W -","- C24 H52 P4 Si2 W -","- C48 H104 P8 Si4 W2 -","2","1","","Zuzek, Ashley A.; Neary, Michelle C.; Parkin, Gerard","σ-Silane, Disilanyl, and [W(μ-H)Si(μ-H)W] Bridging Silylene Complexes via the Reactions of W(PMe3)4(η(2)-CH2PMe2)H with Phenylsilanes.","Journal of the American Chemical Society","2014","","","141217070549000","","10.1021/ja510703s","","","0.71073","MoKα","","0.0314","0.0266","","","0.0586","0.0604","","","","","","1.051","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123154","18.2815","0.0003","18.3875","0.0003","33.1185","0.0006","90","","96.477","0.007","90","","11061.8","0.4","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59.88 H52.33 Cu F9 N2 O2.38 P3 -","- C59.882 H52.329 Cu F9 N2 O2.382 P3 -","- C479.056 H418.632 Cu8 F72 N16 O19.056 P24 -","8","2","","Yin, Liang; Brewitz, Lennart; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic Generation of α-CF3 Enolate: Direct Catalytic Asymmetric Mannich-Type Reaction of α-CF3 Amide.","Journal of the American Chemical Society","2014","","","141219122731002","","10.1021/ja511458k","","","1.54187","CuKα","","0.0988","0.0747","","","0.2173","0.2349","","","","","","1.074","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123155","10.1405","0.00018","11.5825","0.0002","18.6098","0.0004","90","","90","","90","","2185.76","0.07","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 F3 N3 O3 -","- C22 H24 F3 N3 O3 -","- C88 H96 F12 N12 O12 -","4","1","","Yin, Liang; Brewitz, Lennart; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic Generation of α-CF3 Enolate: Direct Catalytic Asymmetric Mannich-Type Reaction of α-CF3 Amide.","Journal of the American Chemical Society","2014","","","141219122731002","","10.1021/ja511458k","","","1.54187","CuKα","","","0.028","","","","0.0597","","","","","","1.051","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123156","5.6349","0.0007","12.3583","0.0015","15.003","0.002","113.201","0.004","93.127","0.004","99.011","0.004","940.6","0.2","100","0.2","100","0.2","","","","","","","","5","P 1","P 1","1","(3S,5S)-tert-butyl 3-((4-bromophenyl)carbamoyl)-5-ethoxyisoxazolidine-2-carboxylate","(3S,5S)-tert-butyl 3-((4-bromophenyl)carbamoyl)-5-ethoxyisoxazolidine-2-carboxylate","","- C17 H23 Br N2 O5 -","- C17 H23 Br N2 O5 -","- C34 H46 Br2 N4 O10 -","2","2","","Murar, Claudia E.; Thuaud, Frédéric; Bode, Jeffrey W.","KAHA Ligations That Form Aspartyl Aldehyde Residues as Synthetic Handles for Protein Modification and Purification.","Journal of the American Chemical Society","2014","","","141215094849001","","10.1021/ja511231f","","x-ray","0.71073","MoKα","","0.0695","0.0427","","","0.0698","0.0776","","","","","","0.873","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123157","20.203","0.003","20.203","0.003","20.203","0.003","90","","90","","90","","8246","2","100","2","100","2","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- C31 H21 -","- C31 H21 -","- C496 H336 -","16","0.333333","","Mou, Zhongyu; Uchida, Kazuyuki; Kubo, Takashi; Kertesz, Miklos","Evidence of σ- and π-Dimerization in a Series of Phenalenyls.","Journal of the American Chemical Society","2014","","","141216073244005","","10.1021/ja509243p","","","0.71075","MoKα","","0.0466","0.041","","","0.1009","0.1042","","","","","","1.091","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123158","10.4471","0.0004","11.2032","0.0003","19.9952","0.0006","93.7663","0.001","99.8235","0.001","90.3569","0.001","2300.6","0.13","200","","200","","","","","","","","","2","P -1","-P 1","2","","","","- C16 H15 -","- C16 H15 -","- C128 H120 -","8","4","","Mou, Zhongyu; Uchida, Kazuyuki; Kubo, Takashi; Kertesz, Miklos","Evidence of σ- and π-Dimerization in a Series of Phenalenyls.","Journal of the American Chemical Society","2014","","","141216073244005","","10.1021/ja509243p","","","0.71075","MoKα","","0.1053","0.0478","","","0.1225","0.1773","","","","","","1.146","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123159","20.4186","0.0004","20.4186","0.0004","20.4186","0.0004","90","","90","","90","","8512.9","0.3","300","2","300","2","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- C31 H21 -","- C31 H21 -","- C496 H336 -","16","0.333333","","Mou, Zhongyu; Uchida, Kazuyuki; Kubo, Takashi; Kertesz, Miklos","Evidence of σ- and π-Dimerization in a Series of Phenalenyls.","Journal of the American Chemical Society","2014","","","141216073244005","","10.1021/ja509243p","","","0.71075","MoKα","","0.0655","0.057","","","0.174","0.1819","","","","","","1.178","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123160","8.157","0.0013","8.8163","0.0013","9.1728","0.0015","61.817","0.004","75.861","0.004","78.188","0.004","560.75","0.15","100","2","100","2","","","","","","","","2","P 1","P 1","1","","","","- C16 H15 -","- C16 H15 -","- C32 H30 -","2","2","","Mou, Zhongyu; Uchida, Kazuyuki; Kubo, Takashi; Kertesz, Miklos","Evidence of σ- and π-Dimerization in a Series of Phenalenyls.","Journal of the American Chemical Society","2014","","","141216073244005","","10.1021/ja509243p","","","0.71075","MoKα","","0.1255","0.0606","","","0.1705","0.2669","","","","","","0.93","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4127282","4.01245","0.00007","4.01245","0.00007","4.01245","0.00007","90","","90","","90","","64.599","0.002","300","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- F3 Sc -","- F3 Sc -","- F3 Sc -","1","0.0208333","","Hu, Lei; Chen, Jun; Fan, Longlong; Ren, Yang; Rong, Yangchun; Pan, Zhao; Deng, Jinxia; Yu, Ranbo; Xing, Xianran","Zero thermal expansion and ferromagnetism in cubic Sc1-x Mx F3 (M = Ga, Fe) over a wide temperature range","Journal of the American Chemical Society","2014","136","39","13566","13569","10.1021/ja5077487","","","","","","","","","","","","","","","","","","","","","has coordinates","256727","2020-10-21","18:00:00",""
"4129244","11.2246","0.0004","13.3972","0.0004","20.0794","0.0006","72.726","0.001","74.475","0.001","86.383","0.002","2777.67","0.15","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N4 O6 -","- C30 H32 N4 O6 -","- C120 H128 N16 O24 -","4","2","","Nitsch, Dominik; Huber, Stefan M.; Pöthig, Alexander; Narayanan, Arjun; Olah, George A.; Prakash, G. K. Surya; Bach, Thorsten","Chiral propargylic cations as intermediates in SN1-type reactions: substitution pattern, nuclear magnetic resonance studies, and origin of the diastereoselectivity.","Journal of the American Chemical Society","2014","136","7","2851","2857","10.1021/ja411772n","","x-ray","0.71073","MoKα","","0.0404","0.0329","","","0.0799","0.0844","","","","","","1.012","","","","has coordinates","240014","2020-10-21","18:00:00",""
"4129245","10.3367","0.0003","11.7642","0.0003","12.4129","0.0009","91.596","0.007","111.824","0.008","96.479","0.007","1388.32","0.14","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Br N2 O5 -","- C27 H31 Br N2 O5 -","- C54 H62 Br2 N4 O10 -","2","1","","Mbofana, Curren T.; Miller, Scott J.","Diastereo- and enantioselective addition of anilide-functionalized allenoates to N-acylimines catalyzed by a pyridylalanine-based peptide.","Journal of the American Chemical Society","2014","136","8","3285","3292","10.1021/ja412996f","","","1.54178","CuKα","","0.0675","0.0602","","","0.1685","0.1782","","","","","","1.109","","","","has coordinates,has disorder","240016","2020-10-21","18:00:00",""
"4129246","20.2148","0.0012","15.337","0.0008","22.5133","0.0011","90","","107.266","0.002","90","","6665.4","0.6","100","2","100","2","","","","","","","see text","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H76 Cu2 F6 N7 O6 P S2 -","- C56 H76 Cu2 F6 N7 O6 P S2 -","- C224 H304 Cu8 F24 N28 O24 P4 S8 -","4","0.5","","Dielmann, Fabian; Andrada, Diego M.; Frenking, Gernot; Bertrand, Guy","Isolation of bridging and terminal coinage metal-nitrene complexes.","Journal of the American Chemical Society","2014","136","10","3800","3802","10.1021/ja5007355","","x-ray","0.71073","MoKα","","0.0783","0.0666","","","0.2009","0.2104","","","","","","1.032","","","","has coordinates","240017","2020-10-21","18:00:00",""
"4129247","12.4071","0.0005","12.6841","0.0005","23.857","0.0009","98.235","0.002","98.559","0.002","106.927","0.002","3482","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","DF489","","- C64 H92 Ag2 F6 N7 O8 P S2 -","- C64 H92 Ag2 F6 N7 O8 P S2 -","- C128 H184 Ag4 F12 N14 O16 P2 S4 -","2","1","","Dielmann, Fabian; Andrada, Diego M.; Frenking, Gernot; Bertrand, Guy","Isolation of bridging and terminal coinage metal-nitrene complexes.","Journal of the American Chemical Society","2014","136","10","3800","3802","10.1021/ja5007355","","","0.71073","MoKα","","0.0563","0.0485","","","0.1315","0.1355","","","","","","1.057","","","","has coordinates","240017","2020-10-21","18:00:00",""
"4129248","20.6834","0.0012","25.1597","0.0016","24.6629","0.0012","90","","112.552","0.002","90","","11852.9","1.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C113 H160 Cu F3 N14 O4 P2 S -","- C113 H160 Cu F3 N14 O4 P2 S -","- C452 H640 Cu4 F12 N56 O16 P8 S4 -","4","1","","Dielmann, Fabian; Andrada, Diego M.; Frenking, Gernot; Bertrand, Guy","Isolation of bridging and terminal coinage metal-nitrene complexes.","Journal of the American Chemical Society","2014","136","10","3800","3802","10.1021/ja5007355","","","0.71073","MoKα","","0.1197","0.0763","","","0.2114","0.2316","","","","","","1.067","","","","has coordinates,has disorder","240017","2020-10-21","18:00:00",""
"4129249","20.956","0.002","25.095","0.003","24.505","0.003","90","","113.346","0.002","90","","11832","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C117 H168 Ag F3 N14 O5 P2 S -","- C117 H168 Ag F3 N14 O5 P2 S -","- C468 H672 Ag4 F12 N56 O20 P8 S4 -","4","1","","Dielmann, Fabian; Andrada, Diego M.; Frenking, Gernot; Bertrand, Guy","Isolation of bridging and terminal coinage metal-nitrene complexes.","Journal of the American Chemical Society","2014","136","10","3800","3802","10.1021/ja5007355","","","0.71073","MoKα","","0.1024","0.0642","","","0.161","0.1759","","","","","","1.046","","","","has coordinates,has disorder","240017","2020-10-21","18:00:00",""
"4129250","26.442","0.006","13.697","0.003","9.715","0.002","90","","107.328","0.004","90","","3358.9","1.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ubql14","","","- C17 H22 N2 O3.5 -","- C17 H22 N2 O3.5 -","- C136 H176 N16 O28 -","8","1","","Yu, Zhipeng; Lin, Qing","Design of spiro[2.3]hex-1-ene, a genetically encodable double-strained alkene for superfast photoclick chemistry.","Journal of the American Chemical Society","2014","136","11","4153","4156","10.1021/ja5012542","","","0.71073","MoKα","","0.112","0.0758","","","0.1954","0.2199","","","","","","1.032","","","","has coordinates,has disorder","240018","2020-10-21","18:00:00",""
"4129251","18.5189","0.0017","6.1174","0.0006","21.937","0.003","90","","95.7725","0.0014","90","","2472.6","0.5","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","ubql12","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C96 H104 N8 O40 -","8","1","","Yu, Zhipeng; Lin, Qing","Design of spiro[2.3]hex-1-ene, a genetically encodable double-strained alkene for superfast photoclick chemistry.","Journal of the American Chemical Society","2014","136","11","4153","4156","10.1021/ja5012542","","","0.71073","MoKα","","0.079","0.0445","","","0.102","0.1172","","","","","","1.021","","","","has coordinates,has disorder","240019","2020-10-21","18:00:00",""
"4129252","19.837","0.003","19.837","0.003","21.423","0.003","90","","90","","90","","8430","2","100","0.5","100","0.5","","","","","","","","4","P 42/n :2","-P 4bc","86","neima07","","","- C80 H110 Fe P2 -","- C80 H110 Fe P2 -","- C320 H440 Fe4 P8 -","4","0.5","","Daifuku, Stephanie L.; Al-Afyouni, Malik H; Snyder, Benjamin E. R.; Kneebone, Jared L.; Neidig, Michael L.","A combined Mössbauer, magnetic circular dichroism, and density functional theory approach for iron cross-coupling catalysis: electronic structure, in situ formation, and reactivity of iron-mesityl-bisphosphines.","Journal of the American Chemical Society","2014","136","25","9132","9143","10.1021/ja503596m","","","0.71073","MoKα","","0.0828","0.0613","","","0.1666","0.1845","","","","","","1.044","","","","has coordinates,has disorder","240020","2020-10-21","18:00:00",""
"4129253","17.196","0.002","23.437","0.003","19.421","0.002","90","","114.225","0.002","90","","7137.9","1.4","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","neijk24","","","- C75 H109 Cl Fe O P2 -","- C75 H109 Cl Fe O P2 -","- C300 H436 Cl4 Fe4 O4 P8 -","4","1","","Daifuku, Stephanie L.; Al-Afyouni, Malik H; Snyder, Benjamin E. R.; Kneebone, Jared L.; Neidig, Michael L.","A combined Mössbauer, magnetic circular dichroism, and density functional theory approach for iron cross-coupling catalysis: electronic structure, in situ formation, and reactivity of iron-mesityl-bisphosphines.","Journal of the American Chemical Society","2014","136","25","9132","9143","10.1021/ja503596m","","","0.71073","MoKα","","0.0993","0.0542","","","0.1266","0.1494","","","","","","1.011","","","","has coordinates,has disorder","240021","2020-10-21","18:00:00",""
"4129254","17.219","0.004","23.733","0.005","19.346","0.004","90","","113.739","0.004","90","","7237","3","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","neima06","","","- C75 H109 Br Fe O P2 -","- C75 H109 Br Fe O P2 -","- C300 H436 Br4 Fe4 O4 P8 -","4","1","","Daifuku, Stephanie L.; Al-Afyouni, Malik H; Snyder, Benjamin E. R.; Kneebone, Jared L.; Neidig, Michael L.","A combined Mössbauer, magnetic circular dichroism, and density functional theory approach for iron cross-coupling catalysis: electronic structure, in situ formation, and reactivity of iron-mesityl-bisphosphines.","Journal of the American Chemical Society","2014","136","25","9132","9143","10.1021/ja503596m","","","0.71073","MoKα","","0.1236","0.0601","","","0.1174","0.1408","","","","","","1.008","","","","has coordinates","240022","2020-10-21","18:00:00",""
"4129255","17.205","0.004","23.705","0.006","19.398","0.005","90","","113.906","0.005","90","","7233","3","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","neima05","","","- C75 H109 Br0.8 Cl0.2 Fe O P2 -","- C75 H109 Br0.796 Cl0.204 Fe O P2 -","- C300 H436 Br3.184 Cl0.816 Fe4 O4 P8 -","4","1","","Daifuku, Stephanie L.; Al-Afyouni, Malik H; Snyder, Benjamin E. R.; Kneebone, Jared L.; Neidig, Michael L.","A combined Mössbauer, magnetic circular dichroism, and density functional theory approach for iron cross-coupling catalysis: electronic structure, in situ formation, and reactivity of iron-mesityl-bisphosphines.","Journal of the American Chemical Society","2014","136","25","9132","9143","10.1021/ja503596m","","","0.71073","MoKα","","0.0951","0.0536","","","0.1186","0.1359","","","","","","1.019","","","","has coordinates,has disorder","240023","2020-10-21","18:00:00",""
"4129256","12.9284","0.0007","12.6055","0.0006","19.2797","0.0009","90","","100.02","0.002","90","","3094.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Mo O3 P2 -","- C33 H40 Mo O3 P2 -","- C132 H160 Mo4 O12 P8 -","4","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.04","0.0313","","","0.0531","0.0544","","","","","","1.631","","","","has coordinates","240024","2020-10-21","18:00:00",""
"4129257","12.7866","0.0006","16.4447","0.0007","17.5292","0.0007","90","","91.785","0.002","90","","3684.1","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 F6 Mo O8 P2 S2 -","- C34 H40 F6 Mo O8 P2 S2 -","- C136 H160 F24 Mo4 O32 P8 S8 -","4","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.0619","0.0464","","","0.1251","0.1329","","","","","","1.13","","","","has coordinates","240024","2020-10-21","18:00:00",""
"4129258","32.0444","0.001","32.0444","0.001","21.1665","0.0009","90","","90","","120","","18822.8","1.2","100","","100","","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C36.67 H46 F6 Mo N2.33 O6 P2 S2 -","- C36.6667 H46.9999 F6 Mo N2.33333 O6 P2 S2 -","- C660 H845.998 F108 Mo18 N42 O108 P36 S36 -","18","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.0487","0.0371","","","0.0855","0.0909","","","","","","1.056","","","","has coordinates","240024","2020-10-21","18:00:00",""
"4129259","8.9892","0.0003","23.8655","0.0007","12.7797","0.0004","90","","94.7145","0.0016","90","","2732.38","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Mo N2 P2 -","- C30 H40 Mo N2 P2 -","- C120 H160 Mo4 N8 P8 -","4","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.0899","0.0492","","","0.0978","0.1151","","","","","","1.101","","","","has coordinates","240024","2020-10-21","18:00:00",""
"4129260","12.7883","0.0006","16.1757","0.0007","23.2443","0.001","90","","101.25","0.002","90","","4715.9","0.4","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 B Mo N P2 -","- C56 H64 B Mo N P2 -","- C224 H256 B4 Mo4 N4 P8 -","4","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.1259","0.0731","","","0.1418","0.1777","","","","","","1.12","","","","has coordinates,has disorder","240024","2020-10-21","18:00:00",""
"4129261","11.1314","0.0005","17.1403","0.0008","26.9594","0.0012","90","","94.544","0.002","90","","5127.6","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H71 B Mo O P2 -","- C58 H71 B Mo O P2 -","- C232 H284 B4 Mo4 O4 P8 -","4","1","","Buss, Joshua A.; Edouard, Guy A.; Cheng, Christine; Shi, Jade; Agapie, Theodor","Molybdenum catalyzed ammonia borane dehydrogenation: oxidation state specific mechanisms.","Journal of the American Chemical Society","2014","136","32","11272","11275","10.1021/ja5059923","","","0.71073","MoKα","","0.0726","0.0448","","","0.1007","0.1118","","","","","","1.092","","","","has coordinates","240024","2020-10-21","18:00:00",""
"4129262","6.2426","0.0004","7.7345","0.0005","25.5322","0.0016","90","","90","","90","","1232.78","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 S -","- C13 H15 N O2 S -","- C52 H60 N4 O8 S4 -","4","1","","Hartung, John; Dornan, Peter K.; Grubbs, Robert H.","Enantioselective olefin metathesis with cyclometalated ruthenium complexes.","Journal of the American Chemical Society","2014","136","37","13029","13037","10.1021/ja506611k","","","0.71073","MoKα","","0.0314","0.0284","","","0.0729","0.0737","","","","","","1.528","","","","has coordinates","240025","2020-10-21","18:00:00",""
"4129263","10.303","0.0001","17.4632","0.0002","20.3423","0.0002","94.204","0.001","101.929","0.001","92.428","0.001","3565.17","0.07","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","Bis(acetonitrile)(μ^2^-buta-1,3-diyne-1,4-diyl)tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]diiron(2+) diiodide acetonitrile solvate (1:3)","","- C54 H111 Fe2 I2 N5 P8 -","- C54 H111 Fe2 I2 N5 P8 -","- C108 H222 Fe4 I4 N10 P16 -","2","1","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.036","0.0271","","","0.0716","0.0736","","","","","","1.065","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129264","14.0211","0.0004","26.5865","0.0007","17.9536","0.0006","90","","111.308","0.003","90","","6235.1","0.3","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}bis(nitrogen-κ<i>N</i>^1^)diiron(2+) bis{tetrakis[3,5-bis(trifluoromethyl)phenyl]borate(1-)}","","- C108 H120 B2 F48 Fe2 N4 P8 -","- C108 H120 B2 F48 Fe2 N4 P8 -","- C216 H240 B4 F96 Fe4 N8 P16 -","2","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.1134","0.0582","","","0.1487","0.1627","","","","","","0.896","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129265","29.5938","0.0006","10.0002","0.0001","21.104","0.0004","90","","116.945","0.002","90","","5567.59","0.19","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}diethynyldiiron","","- C48 H98 Fe2 P8 -","- C48 H98 Fe2 P8 -","- C192 H392 Fe8 P32 -","4","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0544","0.0466","","","0.1417","0.1459","","","","","","1.055","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129266","19.0064","0.0003","18.7974","0.0004","19.7398","0.0003","90","","90.9394","0.0016","90","","7051.5","0.2","183","1","183","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H120 Fe2 P8 Sn2 -","- C60 H120 Fe2 P8 Sn2 -","- C240 H480 Fe8 P32 Sn8 -","4","1","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0799","0.0647","","","0.1661","0.1769","","","","","","1.088","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129267","10.0294","0.0007","19.4329","0.0007","18.4637","0.001","90","","96.994","0.005","90","","3571.8","0.3","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}bis(selenocyanato-κ<i>N</i>)diiron benzene solvate (1:2)","","- C64 H114 Fe2 N2 P8 Se2 -","- C64 H114 Fe2 N2 P8 Se2 -","- C128 H228 Fe4 N4 P16 Se4 -","2","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0999","0.0628","","","0.1413","0.1682","","","","","","1.059","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129268","18.9951","0.0016","15.3883","0.0008","20.0151","0.0013","90","","90","","90","","5850.5","0.7","183","2","183","2","","","","","","","","6","C m c e","-C 2ac 2","64","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}bis(thiocyanato-κ<i>N</i>)diiron","","- C46 H104 Fe2 N2 P8 S2 -","- C46 H104 Fe2 N2 P8 S2 -","- C184 H416 Fe8 N8 P32 S8 -","4","0.25","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.099","0.0667","","","0.1588","0.1779","","","","","","1.043","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129269","21.0545","0.0007","10.0187","0.0003","26.9455","0.0009","90","","107.922","0.004","90","","5408","0.3","183","2","183","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","(μ^2^-Buta-1,3-diyne-1,4-diyl)[bis(cyano-κ<i>C</i>)]tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]diiron","","- C46 H96 Fe2 N2 P8 -","- C46 H96 Fe2 N2 P8 -","- C184 H384 Fe8 N8 P32 -","4","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0641","0.0556","","","0.1516","0.1596","","","","","","1.037","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129270","14.19","0.0011","19.2827","0.0012","20.1632","0.0015","90","","104.209","0.008","90","","5348.3","0.7","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}disulfanyldiiron","","- C44 H98 Fe2 P8 S2 -","- C44 H98 Fe2 P8 S2 -","- C176 H392 Fe8 P32 S8 -","4","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.1019","0.0537","","","0.1202","0.1467","","","","","","1.019","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129271","20.9315","0.0003","10.0246","0.0001","27.2939","0.0004","90","","108.157","0.002","90","","5441.9","0.14","183","2","183","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}dinitrodiiron","","- C44 H96 Fe2 N2 O4 P8 -","- C44 H96 Fe2 N2 O4 P8 -","- C176 H384 Fe8 N8 O16 P32 -","4","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0375","0.033","","","0.083","0.086","","","","","","1.033","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4337072","29.928","0.01","43.631","0.009","16.789","0.003","90","","90","","90","","21923","9","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C54 H18 N0 O38 Zn9 -","- C54 H18 O38 Zn9 -","- C432 H144 O304 Zn72 -","8","0.5","","Gao, Junkuo; Ye, Kaiqi; Yang, Ling; Xiong, Wei-Wei; Ye, Ling; Wang, Yue; Zhang, Qichun","Growing Crystalline Zinc-1,3,5-benzenetricarboxylate Metal-Organic Frameworks in Different Surfactants.","Inorganic chemistry","2014","53","2","691","693","10.1021/ic402692p","","","0.71073","MoKα","","0.1153","0.0884","","","0.1998","0.2198","","","","","","0.998","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337073","15.157","0.003","16.822","0.003","8.6649","0.0017","90","","100.08","0.03","90","","2175.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 N O12 Zn -","- C23 H11 N O12 Zn -","- C92 H44 N4 O48 Zn4 -","4","1","","Gao, Junkuo; Ye, Kaiqi; Yang, Ling; Xiong, Wei-Wei; Ye, Ling; Wang, Yue; Zhang, Qichun","Growing Crystalline Zinc-1,3,5-benzenetricarboxylate Metal-Organic Frameworks in Different Surfactants.","Inorganic chemistry","2014","53","2","691","693","10.1021/ic402692p","","","0.71073","MoKα","","0.0433","0.0345","","","0.0885","0.0986","","","","","","1.093","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337074","14.489","0.003","15.73","0.003","16.672","0.003","90","","90","","90","","3799.7","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H14 N2 O6 Zn -","- C19 H14 N2 O6 Zn -","- C152 H112 N16 O48 Zn8 -","8","1","","Gao, Junkuo; Ye, Kaiqi; Yang, Ling; Xiong, Wei-Wei; Ye, Ling; Wang, Yue; Zhang, Qichun","Growing Crystalline Zinc-1,3,5-benzenetricarboxylate Metal-Organic Frameworks in Different Surfactants.","Inorganic chemistry","2014","53","2","691","693","10.1021/ic402692p","","","0.71073","MoKα","","0.0461","0.0368","","","0.0887","0.0927","","","","","","1.261","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337075","23.55","0.008","23.55","0.008","23.55","0.008","90","","90","","90","","13061","8","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C54 H18 N0 O41 Zn9 -","- C54 H18 O41 Zn9 -","- C216 H72 O164 Zn36 -","4","0.166667","","Gao, Junkuo; Ye, Kaiqi; Yang, Ling; Xiong, Wei-Wei; Ye, Ling; Wang, Yue; Zhang, Qichun","Growing Crystalline Zinc-1,3,5-benzenetricarboxylate Metal-Organic Frameworks in Different Surfactants.","Inorganic chemistry","2014","53","2","691","693","10.1021/ic402692p","","","0.71073","MoKα","","0.1043","0.0844","","","0.2301","0.2494","","","","","","1.115","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337076","13.871","0.003","19.994","0.004","15.102","0.003","90","","94.69","0.03","90","","4174.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H76 N4 O36 Zn5 -","- C78 H76 N4 O36 Zn5 -","- C156 H152 N8 O72 Zn10 -","2","0.5","","Gao, Junkuo; Ye, Kaiqi; Yang, Ling; Xiong, Wei-Wei; Ye, Ling; Wang, Yue; Zhang, Qichun","Growing Crystalline Zinc-1,3,5-benzenetricarboxylate Metal-Organic Frameworks in Different Surfactants.","Inorganic chemistry","2014","53","2","691","693","10.1021/ic402692p","","","0.71073","MoKα","","0.0714","0.047","","","0.1098","0.1288","","","","","","1.033","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337077","20.78","0.003","20.78","0.003","17.677","0.004","90","","90","","90","","7633","2","293","2","293","2","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C18 H6 N0 O16 Zn3 -","- C18 H6 O16 Zn3 -","- C144 H48 O128 Zn24 -","8","0.5","","Gao, Junkuo; Ye, Kaiqi; Yang, Ling; Xiong, Wei-Wei; Ye, Ling; Wang, Yue; Zhang, Qichun","Growing Crystalline Zinc-1,3,5-benzenetricarboxylate Metal-Organic Frameworks in Different Surfactants.","Inorganic chemistry","2014","53","2","691","693","10.1021/ic402692p","","","0.71073","MoKα","","0.1132","0.0876","","","0.2498","0.2701","","","","","","1.032","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337078","16.345","0.009","13.493","0.007","19.954","0.011","90","","104.685","0.004","90","","4257","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H82 Eu N12 O32 Tb -","- C74 H82 Eu N12 O32 Tb -","- C148 H164 Eu2 N24 O64 Tb2 -","2","0.5","","Gao, Cunji; Kirillov, Alexander M.; Dou, Wei; Tang, Xiaoliang; Liu, Liangliang; Yan, Xuhuan; Xie, Yujie; Zang, Peixian; Liu, Weisheng; Tang, Yu","Self-Assembly Synthesis, Structural Features, and Photophysical Properties of Dilanthanide Complexes Derived from a Novel Amide Type Ligand: Energy Transfer from Tb(III) to Eu(III) in a Heterodinuclear Derivative.","Inorganic chemistry","2014","53","2","935","942","10.1021/ic402338q","","","0.71073","MoKα","","0.0833","0.0515","","","0.1243","0.145","","","","","","1.013","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337079","16.338","0.004","13.49","0.003","19.957","0.005","90","","104.485","0.002","90","","4258.7","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H82 Eu2 N12 O32 -","- C74 H82 Eu2 N12 O32 -","- C148 H164 Eu4 N24 O64 -","2","0.5","","Gao, Cunji; Kirillov, Alexander M.; Dou, Wei; Tang, Xiaoliang; Liu, Liangliang; Yan, Xuhuan; Xie, Yujie; Zang, Peixian; Liu, Weisheng; Tang, Yu","Self-Assembly Synthesis, Structural Features, and Photophysical Properties of Dilanthanide Complexes Derived from a Novel Amide Type Ligand: Energy Transfer from Tb(III) to Eu(III) in a Heterodinuclear Derivative.","Inorganic chemistry","2014","53","2","935","942","10.1021/ic402338q","","","0.71073","MoKα","","0.0762","0.0497","","","0.123","0.1453","","","","","","0.985","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337080","16.338","0.004","13.49","0.003","19.957","0.005","90","","104.485","0.002","90","","4258.7","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H82 N12 O32 Tb2 -","- C74 H82 N12 O32 Tb2 -","- C148 H164 N24 O64 Tb4 -","2","0.5","","Gao, Cunji; Kirillov, Alexander M.; Dou, Wei; Tang, Xiaoliang; Liu, Liangliang; Yan, Xuhuan; Xie, Yujie; Zang, Peixian; Liu, Weisheng; Tang, Yu","Self-Assembly Synthesis, Structural Features, and Photophysical Properties of Dilanthanide Complexes Derived from a Novel Amide Type Ligand: Energy Transfer from Tb(III) to Eu(III) in a Heterodinuclear Derivative.","Inorganic chemistry","2014","53","2","935","942","10.1021/ic402338q","","","0.71073","MoKα","","0.0706","0.0455","","","0.1147","0.1347","","","","","","1.056","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337081","16.287","0.008","13.456","0.006","19.899","0.009","90","","104.544","0.005","90","","4221","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H82 Gd2 N12 O32 -","- C74 H82 Gd2 N12 O32 -","- C148 H164 Gd4 N24 O64 -","2","0.5","","Gao, Cunji; Kirillov, Alexander M.; Dou, Wei; Tang, Xiaoliang; Liu, Liangliang; Yan, Xuhuan; Xie, Yujie; Zang, Peixian; Liu, Weisheng; Tang, Yu","Self-Assembly Synthesis, Structural Features, and Photophysical Properties of Dilanthanide Complexes Derived from a Novel Amide Type Ligand: Energy Transfer from Tb(III) to Eu(III) in a Heterodinuclear Derivative.","Inorganic chemistry","2014","53","2","935","942","10.1021/ic402338q","","","0.71073","MoKα","","0.1075","0.0566","","","0.136","0.1766","","","","","","1.078","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337082","18.75","0.011","9.636","0.005","14.324","0.004","90","","93.26","0.02","90","","2584","2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C39 H73 K2 N9 Ni2 O7 -","- C39 H66 K2 N9 Ni2 O7 -","- C78 H132 K4 N18 Ni4 O14 -","2","0.5","","Gómez-Coca, Silvia; Cremades, Eduard; Aliaga-Alcalde, Núria; Ruiz, Eliseo","Huge Magnetic Anisotropy in a Trigonal-Pyramidal Nickel(II) Complex.","Inorganic chemistry","2014","53","2","676","678","10.1021/ic402256v","","","0.71073","MoKα","","0.0446","0.0389","","","0.1088","0.1172","","","","","","1.109","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337083","13.3193","0.0013","25.503","0.002","20.0756","0.0019","90","","104.871","0.002","90","","6590.9","1","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H51 I4 N17 Ru2 -","- C63 H50.25 I4 N17 Ru2 -","- C252 H201 I16 N68 Ru8 -","4","1","","Kohler, Lars; Kaveevivitchai, Nattawut; Zong, Ruifa; Thummel, Randolph P.","Component analysis of dyads designed for light-driven water oxidation.","Inorganic chemistry","2014","53","2","912","921","10.1021/ic4022905","","","0.71073","MoKα","","0.049","0.0464","","","0.1079","0.1096","","","","","","1.274","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337084","10.5121","0.0008","11.1887","0.0009","13.132","0.0011","76.799","0.006","88.361","0.006","73.751","0.005","1442.6","0.2","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 Cu1.5 F12 N3 O6 -","- C21 H23 Cu1.5 F12 N3 O6 -","- C42 H46 Cu3 F24 N6 O12 -","2","1","","Furui, Takanori; Suzuki, Shuichi; Kozaki, Masatoshi; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Okada, Keiji; Tretyakov, Evgeny V.; Tolstikov, Svyatoslav E.; Romanenko, Galina V.; Ovcharenko, Victor I.","Preparation and Magnetic Properties of Metal-Complexes from N-t-Butyl-N-oxidanyl-2-amino-(nitronyl nitroxide).","Inorganic chemistry","2014","53","2","802","809","10.1021/ic4020898","","","0.71073","MoKα","","0.1081","0.0438","","","0.0785","0.0934","","","","","","0.763","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337085","25.196","0.0013","8.5524","0.0004","27.5246","0.0016","90","","90.202","0.003","90","","5931.1","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 F12 Mn N3 O7 -","- C21 H23 F12 Mn N3 O7 -","- C168 H184 F96 Mn8 N24 O56 -","8","1","","Furui, Takanori; Suzuki, Shuichi; Kozaki, Masatoshi; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Okada, Keiji; Tretyakov, Evgeny V.; Tolstikov, Svyatoslav E.; Romanenko, Galina V.; Ovcharenko, Victor I.","Preparation and Magnetic Properties of Metal-Complexes from N-t-Butyl-N-oxidanyl-2-amino-(nitronyl nitroxide).","Inorganic chemistry","2014","53","2","802","809","10.1021/ic4020898","","","0.7107","MoKα","","0.0755","0.0648","","","0.1486","0.1546","","","","","","1.091","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337086","22.671","0.004","22.671","0.004","10.073","0.003","90","","90","","90","","5177","2","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C42 H40 Mn4 N22 O15 -","- C42 H40 Mn4 N22 O15 -","- C168 H160 Mn16 N88 O60 -","4","0.5","","Qin, Jianhua; Jia, Yanyuan; Li, Huijun; Zhao, Bei; Wu, Dongqing; Zang, Shuangquan; Hou, Hongwei; Fan, Yaoting","Conversion from a heterochiral [2 + 2] coaxially nested double-helical column to a cationic spiral staircase stimulated by an ionic liquid anion.","Inorganic chemistry","2014","53","2","685","687","10.1021/ic402598p","","","0.71073","MoKα","","0.0951","0.0654","","","0.1744","0.2037","","","","","","1.026","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337087","19.87","0.003","19.87","0.003","12.749","0.003","90","","90","","90","","5033.5","1.6","293","2","293","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C76 H72 Br4 Mn8 N44 O22 -","- C76 H72 Br4 Mn8 N44 O22 -","- C152 H144 Br8 Mn16 N88 O44 -","2","0.25","","Qin, Jianhua; Jia, Yanyuan; Li, Huijun; Zhao, Bei; Wu, Dongqing; Zang, Shuangquan; Hou, Hongwei; Fan, Yaoting","Conversion from a heterochiral [2 + 2] coaxially nested double-helical column to a cationic spiral staircase stimulated by an ionic liquid anion.","Inorganic chemistry","2014","53","2","685","687","10.1021/ic402598p","","","0.71073","MoKα","","0.051","0.0446","","","0.1065","0.1102","","","","","","1.087","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337088","10.4036","0.0004","7.5904","0.0003","7.8341","0.0003","90","","90","","90","","618.64","0.04","298","0.2","298","0.2","","","","","","","","4","A b m 2","A 2 -2b","39","","","","- O8 Se2 V Y -","- O8 Se2 V Y -","- O32 Se8 V4 Y4 -","4","","","Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min","Noncentrosymmetric YVSe2O8 and Centrosymmetric YVTe2O8: Macroscopic Centricities Influenced by the Size of Lone Pair Cation Linkers.","Inorganic chemistry","2014","53","2","1250","1256","10.1021/ic402929m","","","0.71073","MoKα","","0.0505","0.0463","","","0.1126","0.1145","","","","","","1.071","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337089","7.9396","0.001","7.5625","0.001","21.282","0.002","90","","90.01","0.01","90","","1277.8","0.3","298","0.2","298","0.2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- O8 Te2 V Y -","- O8 Te2 V Y -","- O64 Te16 V8 Y8 -","8","1","","Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min","Noncentrosymmetric YVSe2O8 and Centrosymmetric YVTe2O8: Macroscopic Centricities Influenced by the Size of Lone Pair Cation Linkers.","Inorganic chemistry","2014","53","2","1250","1256","10.1021/ic402929m","","","0.71073","MoKα","","0.0349","0.0288","","","0.0682","0.0706","","","","","","1.039","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337090","10.3642","0.0009","10.4066","0.0009","14.8129","0.0012","92.932","0.001","103.536","0.001","111.041","0.001","1433.5","0.2","187","2","187","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H26 N4 Pt -","- C38 H26 N4 Pt -","- C76 H52 N8 Pt2 -","2","1","","Li, Hui; Li, Jing; Ding, Junqiao; Yuan, Wei; Zhang, Zilong; Zou, Luyi; Wang, Xingdong; Zhan, Hongmei; Xie, Zhiyuan; Cheng, Yanxiang; Wang, Lixiang","Design, Synthesis, and Optoelectronic Properties of Dendrimeric Pt(II) Complexes and Their Ability to Inhibit Intermolecular Interaction.","Inorganic chemistry","2014","53","2","810","821","10.1021/ic402099x","","","0.71073","MoKα","","0.0311","0.0274","","","0.0663","0.0682","","","","","","1.019","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337091","11.9104","0.0006","12.1992","0.0006","13.8206","0.0006","90","","90","","90","","2008.1","0.17","185","2","185","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O2 Pt -","- C24 H20 N2 O2 Pt -","- C96 H80 N8 O8 Pt4 -","4","1","","Li, Hui; Li, Jing; Ding, Junqiao; Yuan, Wei; Zhang, Zilong; Zou, Luyi; Wang, Xingdong; Zhan, Hongmei; Xie, Zhiyuan; Cheng, Yanxiang; Wang, Lixiang","Design, Synthesis, and Optoelectronic Properties of Dendrimeric Pt(II) Complexes and Their Ability to Inhibit Intermolecular Interaction.","Inorganic chemistry","2014","53","2","810","821","10.1021/ic402099x","","","0.71073","MoKα","","0.0474","0.0467","","","0.1138","0.1145","","","","","","1.014","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337092","6.8964","0.0005","19.7941","0.0018","8.3942","0.0006","90","","108.038","0.005","90","","1089.56","0.15","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Li0.976 Pb0.911 S6 Sb3.068 -","- Li0.975 Pb0.911 S6 Sb3.068 -","- Li3.9 Pb3.644 S24 Sb12.272 -","4","1","","Agha, Eva C.; Malliakas, Christos D.; Im, Jino; Jin, Hosub; Zhao, Li-Dong; Freeman, Arthur J.; Kanatzidis, Mercouri G.","LiPbSb3S6: A Semiconducting Sulfosalt with Very Low Thermal Conductivity.","Inorganic chemistry","2014","53","2","673","675","10.1021/ic402262z","","x-ray","0.71073","MoKα","","0.0629","0.0577","","","0.1651","0.1675","","","","1.71","1.71","1.65","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337093","17.324","0.006","15.319","0.005","26.351","0.009","90","","105.76","0.004","90","","6730","4","193","","193","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77 H82 B2 N4 Pt Rh2 S2 -","- C77 H82 B2 N4 Pt Rh2 S2 -","- C308 H328 B8 N16 Pt4 Rh8 S8 -","4","1","","Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori","π-Back-Bonding Interaction Depending on the Bridging Chain Lengths of Chelated N-Heterocyclic Carbene Platinum Units in Heterometallic Trinuclear Complexes Affecting Their Electrochemical Property.","Inorganic chemistry","2014","53","2","661","663","10.1021/ic402063f","","","0.71075","MoKα","","","0.0582","","","","0.1158","","","","","","1.035","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337094","12.236","0.004","19.912","0.006","28.688","0.009","90","","92.909","0.005","90","","6981","4","193","","193","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H84 B2 N4 Pt Rh2 S2 -","- C78 H84 B2 N4 Pt Rh2 S2 -","- C312 H336 B8 N16 Pt4 Rh8 S8 -","4","1","","Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori","π-Back-Bonding Interaction Depending on the Bridging Chain Lengths of Chelated N-Heterocyclic Carbene Platinum Units in Heterometallic Trinuclear Complexes Affecting Their Electrochemical Property.","Inorganic chemistry","2014","53","2","661","663","10.1021/ic402063f","","","0.7107","MoKα","","","0.0681","","","","0.1539","","","","","","1.079","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337095","18.9565","0.0011","14.9634","0.0007","25.6965","0.0015","90","","106.187","0.0019","90","","7000","0.7","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H86 B2 N4 Pt Rh2 S2 -","- C79 H86 B2 N4 Pt Rh2 S2 -","- C316 H344 B8 N16 Pt4 Rh8 S8 -","4","1","","Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori","π-Back-Bonding Interaction Depending on the Bridging Chain Lengths of Chelated N-Heterocyclic Carbene Platinum Units in Heterometallic Trinuclear Complexes Affecting Their Electrochemical Property.","Inorganic chemistry","2014","53","2","661","663","10.1021/ic402063f","","","0.71075","MoKα","","","0.0583","","","","0.1313","","","","","","1.11","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337096","17.302","0.004","15.37","0.004","26.254","0.007","90","","105.539","0.0019","90","","6727","3","193","","193","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77 H82 B2 Ir2 N4 Pt S2 -","- C77 H82 B2 Ir2 N4 Pt S2 -","- C308 H328 B8 Ir8 N16 Pt4 S8 -","4","1","","Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori","π-Back-Bonding Interaction Depending on the Bridging Chain Lengths of Chelated N-Heterocyclic Carbene Platinum Units in Heterometallic Trinuclear Complexes Affecting Their Electrochemical Property.","Inorganic chemistry","2014","53","2","661","663","10.1021/ic402063f","","","0.71075","MoKα","","","0.0413","","","","0.0874","","","","","","1.045","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337097","12.25","0.0009","19.8908","0.0015","28.782","0.003","90","","92.822","0.005","90","","7004.6","1","193","","193","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H84 B2 Ir2 N4 Pt S2 -","- C78 H84 B2 Ir2 N4 Pt S2 -","- C312 H336 B8 Ir8 N16 Pt4 S8 -","4","1","","Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori","π-Back-Bonding Interaction Depending on the Bridging Chain Lengths of Chelated N-Heterocyclic Carbene Platinum Units in Heterometallic Trinuclear Complexes Affecting Their Electrochemical Property.","Inorganic chemistry","2014","53","2","661","663","10.1021/ic402063f","","","0.71075","MoKα","","","0.064","","","","0.1887","","","","","","1.104","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337098","14.388","0.003","14.732","0.003","19.978","0.004","70.97","0.03","89.92","0.03","72.09","0.03","3786.1","1.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H55 Ag17 N44 O80 P2 W24 -","- C77 H55 Ag17 N44 O80 P2 W24 -","- C77 H55 Ag17 N44 O80 P2 W24 -","1","0.5","","Liang, Min-Xia; Ruan, Chan-Zi; Sun, Di; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Solvothermal Synthesis of Four Polyoxometalate-Based Coordination Polymers Including Diverse Ag(I)···π Interactions.","Inorganic chemistry","2014","53","2","897","902","10.1021/ic4022596","","","0.71073","MoKα","","0.0839","0.0747","","","0.1953","0.2051","","","","","","1.019","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337099","14.138","0.004","14.546","0.005","19.922","0.006","107.906","0.006","90.517","0.006","107.615","0.005","3692","2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H55 Ag17 Mo24 N44 O80 P2 -","- C77 H55 Ag17 Mo24 N44 O80 P2 -","- C77 H55 Ag17 Mo24 N44 O80 P2 -","1","0.5","","Liang, Min-Xia; Ruan, Chan-Zi; Sun, Di; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Solvothermal Synthesis of Four Polyoxometalate-Based Coordination Polymers Including Diverse Ag(I)···π Interactions.","Inorganic chemistry","2014","53","2","897","902","10.1021/ic4022596","","","0.71073","MoKα","","0.0977","0.0891","","","0.2212","0.2274","","","","","","1.178","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337100","12.342","0.002","12.447","0.002","14.98","0.003","97.787","0.003","107.293","0.003","108.721","0.003","2012","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H30 Ag12 N26 O40 Si W12 -","- C44 H30 Ag12 N26 O40 Si W12 -","- C44 H30 Ag12 N26 O40 Si W12 -","1","0.5","","Liang, Min-Xia; Ruan, Chan-Zi; Sun, Di; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Solvothermal Synthesis of Four Polyoxometalate-Based Coordination Polymers Including Diverse Ag(I)···π Interactions.","Inorganic chemistry","2014","53","2","897","902","10.1021/ic4022596","","","0.71073","MoKα","","0.0858","0.0749","","","0.1942","0.2029","","","","","","1.022","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337101","23.927","0.005","22.684","0.005","33.277","0.007","90","","109.73","0.03","90","","17001","7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H50 Ag20 N40 O117 P5 W30 -","- C70 H50 Ag20 N40 O117 P5 W30 -","- C280 H200 Ag80 N160 O468 P20 W120 -","4","0.5","","Liang, Min-Xia; Ruan, Chan-Zi; Sun, Di; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Solvothermal Synthesis of Four Polyoxometalate-Based Coordination Polymers Including Diverse Ag(I)···π Interactions.","Inorganic chemistry","2014","53","2","897","902","10.1021/ic4022596","","","0.71073","MoKα","","0.0692","0.0577","","","0.1706","0.1865","","","","","","0.739","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337102","17.5075","0.0002","17.5075","0.0002","16.9453","0.0002","90","","90","","120","","4498.09","0.09","183.1","","183","2","","","","","","","","7","P 63/m","-P 6c","176","","Diiodo-(1,1'-dipentyl-3,3'-methylene-bis(benzimidazoline)-2,2'-diylidene) -platinum(II) dichloromethane and methanol solvate 3/1/1","","- C25.67 H34 Cl0.67 I2 N4 O0.33 Pt -","- C24.6666 H31.0002 Cl0.6666 I2 N4 O0.3333 Pt -","- C148 H186.001 Cl3.9996 I12 N24 O1.9998 Pt6 -","6","0.5","","Zhang, Yuzhen; Clavadetscher, Jessica; Bachmann, Michael; Blacque, Olivier; Venkatesan, Koushik","Tuning the Luminescent Properties of Pt(II) Acetylide Complexes through Varying the Electronic Properties of N-Heterocyclic Carbene Ligands.","Inorganic chemistry","2014","53","2","756","771","10.1021/ic401841n","","","0.7107","MoKα","","0.0467","0.0391","","","0.1024","0.1063","","","","","","1.12","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337103","13.7433","0.0002","21.0614","0.0003","13.1858","0.0001","90","","90","","90","","3816.67","0.08","183","2","183","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","bis(4-Fluorophenylethynyl)-(1,1'-dipentyl-3,3'-methylene-bis(benzimidazoline) -2,2'-diylidene)-platinum(II) methanol water solvate 1/1/1","","- C42 H46 F2 N4 O2 Pt -","- C42 H46 F2 N4 O2 Pt -","- C168 H184 F8 N16 O8 Pt4 -","4","1","","Zhang, Yuzhen; Clavadetscher, Jessica; Bachmann, Michael; Blacque, Olivier; Venkatesan, Koushik","Tuning the Luminescent Properties of Pt(II) Acetylide Complexes through Varying the Electronic Properties of N-Heterocyclic Carbene Ligands.","Inorganic chemistry","2014","53","2","756","771","10.1021/ic401841n","","","0.7107","MoKα","","0.058","0.0347","","","0.0579","0.0653","","","","","","1.014","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337104","16.9885","0.0007","25.65","0.0008","19.5345","0.0009","90","","114.494","0.005","90","","7746.2","0.6","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(Phenylethynyl)-(1,1'-dipentyl-3,3'-methylene-bis(benzimidazoline) -2,2'-diylidene)-platinum(II) dichloromethane pentane solvate 4/1/1","","- C85 H91 Cl N8 Pt2 -","- C85 H91 Cl N8 Pt2 -","- C340 H364 Cl4 N32 Pt8 -","4","1","","Zhang, Yuzhen; Clavadetscher, Jessica; Bachmann, Michael; Blacque, Olivier; Venkatesan, Koushik","Tuning the Luminescent Properties of Pt(II) Acetylide Complexes through Varying the Electronic Properties of N-Heterocyclic Carbene Ligands.","Inorganic chemistry","2014","53","2","756","771","10.1021/ic401841n","","","0.7107","MoKα","","0.1091","0.0701","","","0.1433","0.1629","","","","","","1.034","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337105","13.8528","0.0006","15.5714","0.0005","17.863","0.0006","82.817","0.003","69.071","0.004","73.626","0.003","3451.7","0.2","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","bis(4-Fluorophenylethynyl)-(1,1'-dipentyl-3,3'-methylene-bis(1,2,4-triazoline) -2,2'-diylidene)-platinum(II) methanol solvate 2/3","","- C65 H80 F4 N12 O3 Pt2 -","- C65 H80 F4 N12 O3 Pt2 -","- C130 H160 F8 N24 O6 Pt4 -","2","1","","Zhang, Yuzhen; Clavadetscher, Jessica; Bachmann, Michael; Blacque, Olivier; Venkatesan, Koushik","Tuning the Luminescent Properties of Pt(II) Acetylide Complexes through Varying the Electronic Properties of N-Heterocyclic Carbene Ligands.","Inorganic chemistry","2014","53","2","756","771","10.1021/ic401841n","","","0.7107","MoKα","","0.0879","0.0539","","","0.1091","0.1247","","","","","","1.044","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337106","11.8477","0.0009","20.4016","0.0017","20.8037","0.0016","90","","92.457","0.003","90","","5023.9","0.7","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Moris-334 (Sara)","","","- C44 H80 N12 U -","- C44 H80 N12 U -","- C176 H320 N48 U4 -","4","1","","Karmel, Isabell S. R.; Botoshansky, Mark; Tamm, Matthias; Eisen, Moris S.","Uranium(IV) Imidazolin-2-iminato Complexes: A New Class of Actinide Complexes.","Inorganic chemistry","2014","53","2","694","696","10.1021/ic402806x","","","0.71073","MoKα","","0.0603","0.0406","","","0.0983","0.1103","","","","","","1.144","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337107","45.543","0.004","12.563","0.001","34.112","0.003","90","","112.469","0.002","90","","18036","3","240","2","240","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Moris-327(Sara)","","","- C60 H88 N8 U -","- C60 H88 N8 U -","- C720 H1056 N96 U12 -","12","1.5","","Karmel, Isabell S. R.; Botoshansky, Mark; Tamm, Matthias; Eisen, Moris S.","Uranium(IV) Imidazolin-2-iminato Complexes: A New Class of Actinide Complexes.","Inorganic chemistry","2014","53","2","694","696","10.1021/ic402806x","","","0.71073","MoKα","","0.0475","0.0372","","","0.1221","0.1343","","","","","","1.068","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337108","11.833","0.0006","12.484","0.0006","23.687","0.001","81.532","0.002","83.63","0.002","65.465","0.002","3143.6","0.3","240","2","240","2","","","","","","","","4","P -1","-P 1","2","Moris-294 (Sara)","","","- C65 H78 N10 U -","- C65 H78 N10 U -","- C130 H156 N20 U2 -","2","1","","Karmel, Isabell S. R.; Botoshansky, Mark; Tamm, Matthias; Eisen, Moris S.","Uranium(IV) Imidazolin-2-iminato Complexes: A New Class of Actinide Complexes.","Inorganic chemistry","2014","53","2","694","696","10.1021/ic402806x","","","0.71073","MoKα","","0.0996","0.0669","","","0.1689","0.2198","","","","","","1.02","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337109","22.9082","0.0003","22.9082","0.0003","22.9082","0.0003","90","","90","","90","","12021.9","0.3","100","2","100","2","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C84 H48 N0 O30 P4 Zn6 -","- C84 H48 O30 P4 Zn6 -","- C336 H192 O120 P16 Zn24 -","4","0.0833333","","Li, Xing-Jun; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Zhou, Kang; Yuan, Da-Qiang; Hong, Mao-Chun","Construction of Two Microporous Metal-Organic Frameworks with flu and pyr Topologies Based on Zn4(μ3-OH)2(CO2)6 and Zn6(μ6-O)(CO2)6 Secondary Building Units.","Inorganic chemistry","2014","53","2","1032","1038","10.1021/ic402481b","","","1.54184","CuKα","","0.127","0.0846","","","0.1808","0.1963","","","","","","1.005","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337110","13.71","0.003","14.753","0.003","20.027","0.004","90","","107.969","0.003","90","","3853.2","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 N0 O18 P2 Zn4 -","- C42 H30 O18 P2 Zn4 -","- C84 H60 O36 P4 Zn8 -","2","0.5","","Li, Xing-Jun; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Zhou, Kang; Yuan, Da-Qiang; Hong, Mao-Chun","Construction of Two Microporous Metal-Organic Frameworks with flu and pyr Topologies Based on Zn4(μ3-OH)2(CO2)6 and Zn6(μ6-O)(CO2)6 Secondary Building Units.","Inorganic chemistry","2014","53","2","1032","1038","10.1021/ic402481b","","","0.71073","MoKα","","0.0498","0.047","","","0.16","0.1646","","","","","","1.003","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337111","8.5217","0.0013","21.116","0.003","17.248","0.003","90","","90","","90","","3103.7","0.8","123","2","123","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H4 Cs Er F24 O8 -","- C20 H4 Cs Er F24 O8 -","- C80 H16 Cs4 Er4 F96 O32 -","4","0.5","","Zeng, Dai; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Tuning the Coordination Geometries and Magnetic Dynamics of [Ln(hfac)4](-) through Alkali Metal Counterions.","Inorganic chemistry","2014","53","2","795","801","10.1021/ic402111v","","","0.71073","MoKα","","0.0384","0.0338","","","0.1209","0.1295","","","","","","1.038","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337112","8.5259","0.0008","21.272","0.002","17.2044","0.0016","90","","90","","90","","3120.2","0.5","123","2","123","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H4 Cs Dy F24 O8 -","- C20 H4 Cs Dy F24 O8 -","- C80 H16 Cs4 Dy4 F96 O32 -","4","0.5","","Zeng, Dai; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Tuning the Coordination Geometries and Magnetic Dynamics of [Ln(hfac)4](-) through Alkali Metal Counterions.","Inorganic chemistry","2014","53","2","795","801","10.1021/ic402111v","","","0.71073","MoKα","","0.0365","0.0333","","","0.1151","0.1194","","","","","","1.083","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337113","11.7644","0.0017","12.161","0.0019","13.3468","0.0012","73.298","0.002","65.509","0.003","63.667","0.002","1544.8","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H4 Dy F24 K O8 -","- C20 H4 Dy F24 K O8 -","- C40 H8 Dy2 F48 K2 O16 -","2","1","","Zeng, Dai; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Tuning the Coordination Geometries and Magnetic Dynamics of [Ln(hfac)4](-) through Alkali Metal Counterions.","Inorganic chemistry","2014","53","2","795","801","10.1021/ic402111v","","","0.71073","MoKα","","0.0567","0.0539","","","0.1356","0.1369","","","","","","1.191","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337114","14.8003","0.0001","38.0848","0.0002","11.2473","0.0005","90","","90","","90","","6339.7","0.3","293","","293","","","","","","","","","4","I 2 m b","I -2b 2","46","","","","- Bi18 O77 P14 Zn15 -","- Bi18.004 O77 P14 Zn14.996 -","- Bi72.016 O308 P56 Zn59.984 -","4","0.5","","Aliev, A.; Endara, D.; Huvé, M; Colmont, M.; Roussel, P.; Delevoye, L.; Tran, T. T.; Halasyamani, P. S.; Mentré, O","Labile Degree of Disorder in Bismuth-Oxophosphate Compounds: Illustration through Three New Structural Types.","Inorganic chemistry","2014","53","2","861","871","10.1021/ic402930d","","x-ray","0.71073","MoKα","","0.0445","0.037","","","0.0401","0.0453","","","","1.37","1.37","1.43","","","","has coordinates","288070","2023-12-06","12:51:11",""
"4337115","13.7008","0.0002","13.7008","0.0002","5.6633","0.0001","90","","90","","90","","1063.07","0.03","293","","293","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Bi3.56 K1.319 O11 P2 -","- Bi3.56 K1.3195 O11 P2 -","- Bi14.24 K5.278 O44 P8 -","4","0.5","","Aliev, A.; Endara, D.; Huvé, M; Colmont, M.; Roussel, P.; Delevoye, L.; Tran, T. T.; Halasyamani, P. S.; Mentré, O","Labile Degree of Disorder in Bismuth-Oxophosphate Compounds: Illustration through Three New Structural Types.","Inorganic chemistry","2014","53","2","861","871","10.1021/ic402930d","","x-ray","0.71073","MoKα","","0.0419","0.0314","","","0.0364","0.0618","","","","2.2","2.2","3.42","","","","has coordinates","288070","2023-12-06","12:51:22",""
"4337116","19.662","0.003","19.662","0.003","19.662","0.003","90","","90","","90","","7601","2","100","2","100","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Bi2 H14.1 Mo9.4 O47.05 V3.6 -","- Bi2 H14.04 Mo9.36 O47.02 V3.64 -","- Bi16 H112.32 Mo74.88 O376.16 V29.12 -","8","0.0416667","","Zhang, Zhenxin; Sadakane, Masahiro; Murayama, Toru; Izumi, Shoko; Yasuda, Nobuhiro; Sakaguchi, Norihito; Ueda, Wataru","Tetrahedral Connection of ε-Keggin-type Polyoxometalates To Form an All-Inorganic Octahedral Molecular Sieve with an Intrinsic 3D Pore System.","Inorganic chemistry","2014","53","2","903","911","10.1021/ic4022849","","","0.83077","Synchrotron","","0.0675","0.058","","","0.146","0.1552","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337117","19.685","0.0006","19.685","0.0006","19.685","0.0006","90","","90","","90","","7627.9","0.4","100","2","100","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Bi2 H10.07 K1.7 Mo9.4 O45.03 V3.6 -","- Bi2 H9.924 K1.777 Mo9.36 O44.962 V3.64 -","- Bi16 H79.392 K14.216 Mo74.88 O359.696 V29.12 -","8","0.0416667","","Zhang, Zhenxin; Sadakane, Masahiro; Murayama, Toru; Izumi, Shoko; Yasuda, Nobuhiro; Sakaguchi, Norihito; Ueda, Wataru","Tetrahedral Connection of ε-Keggin-type Polyoxometalates To Form an All-Inorganic Octahedral Molecular Sieve with an Intrinsic 3D Pore System.","Inorganic chemistry","2014","53","2","903","911","10.1021/ic4022849","","","0.83112","Synchrotron","","0.0579","0.0344","","","0.0616","0.0646","","","","","","0.904","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337118","21.3989","0.0006","21.3989","0.0006","30.3895","0.001","90","","90","","90","","13915.7","0.7","150","2","150","2","","","","","","","","7","P 4/n","-P 4a","85","","","","- C215 H327 Cl12 Cu6 Fe8 N89 O83 -","- C180 H244 Cl8 Cu6 Fe8 N84 O52 -","- C360 H488 Cl16 Cu12 Fe16 N168 O104 -","2","","","Reichel, Florian; Clegg, Jack K.; Gloe, Karsten; Gloe, Kerstin; Weigand, Jan J.; Reynolds, Jason K.; Li, Chun-Guang; Aldrich-Wright, Janice R; Kepert, Cameron J.; Lindoy, Leonard F.; Yao, Hong-Chang; Li, Feng","Self-Assembly of an Imidazolate-Bridged Fe(III)/Cu(II) Heterometallic Cage.","Inorganic chemistry","2014","53","2","688","690","10.1021/ic402686s","","","0.71073","MoKα","","0.1676","0.1195","","","0.3461","0.4116","","","","","","1.367","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337119","7.6712","0.0005","12.631","0.0009","12.9757","0.0008","90","","99.74","0.004","90","","1239.16","0.14","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 B Be Cl N6 -","- C9 H10 B Be Cl N6 -","- C36 H40 B4 Be4 Cl4 N24 -","4","1","","Naglav, Dominik; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis and Characterization of Heteroleptic 1-Tris(pyrazolyl)borate Beryllium Complexes.","Inorganic chemistry","2014","53","2","1241","1249","10.1021/ic402895h","","","0.71073","MoKα","","0.0393","0.0313","","","0.0788","0.0854","","","","","","1.067","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337120","7.7158","0.0002","12.6696","0.0003","13.1953","0.0003","90","","100.189","0.001","90","","1269.58","0.05","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 B Be Br N6 -","- C9 H10 B Be Br N6 -","- C36 H40 B4 Be4 Br4 N24 -","4","1","","Naglav, Dominik; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis and Characterization of Heteroleptic 1-Tris(pyrazolyl)borate Beryllium Complexes.","Inorganic chemistry","2014","53","2","1241","1249","10.1021/ic402895h","","","0.71073","MoKα","","0.0303","0.0244","","","0.063","0.0656","","","","","","1.045","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337121","7.9099","0.0003","12.7438","0.0006","14.6259","0.0007","90","","104.383","0.002","90","","1428.11","0.11","180","1","180","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 B2 Be2 F2 N12 -","- C25 H28 B2 Be2 F2 N12 -","- C50 H56 B4 Be4 F4 N24 -","2","0.5","","Naglav, Dominik; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis and Characterization of Heteroleptic 1-Tris(pyrazolyl)borate Beryllium Complexes.","Inorganic chemistry","2014","53","2","1241","1249","10.1021/ic402895h","","","0.71073","MoKα","","0.0468","0.0368","","","0.0958","0.1035","","","","","","1.059","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337122","12.7981","0.0011","14.2608","0.0013","14.5214","0.0013","90","","90","","90","","2650.3","0.4","180","1","180","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H10 B Be I N6 -","- C9 H10 B Be I N6 -","- C72 H80 B8 Be8 I8 N48 -","8","1","","Naglav, Dominik; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis and Characterization of Heteroleptic 1-Tris(pyrazolyl)borate Beryllium Complexes.","Inorganic chemistry","2014","53","2","1241","1249","10.1021/ic402895h","","","0.71073","MoKα","","0.0313","0.0239","","","0.0585","0.063","","","","","","1.06","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337123","7.7207","0.0008","15.7986","0.0017","12.7865","0.0013","90","","101.13","0.006","90","","1530.3","0.3","180","1","180","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 B Be F N8 -","- C12 H14 B Be F N8 -","- C48 H56 B4 Be4 F4 N32 -","4","1","","Naglav, Dominik; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis and Characterization of Heteroleptic 1-Tris(pyrazolyl)borate Beryllium Complexes.","Inorganic chemistry","2014","53","2","1241","1249","10.1021/ic402895h","","","0.71073","MoKα","","0.0705","0.0454","","","0.1117","0.1282","","","","","","1.021","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337124","12.6215","0.0013","13.7714","0.0014","20.966","0.002","86.845","0.002","75.441","0.001","65.095","0.001","3193.8","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H44 Al Mo14 N5 O46 -","- C32.5 H32 Al Mo14 N5 O46 -","- C65 H64 Al2 Mo28 N10 O92 -","2","1","","Han, Zhan-Gang; Chang, Xiao-Qing; Yan, Jin-Shuang; Gong, Kai-Ning; Zhao, Chuan; Zhai, Xue-Liang","An Unusual Metallic Oxygen Cluster Consisting of a {AlMo12O40(MoO2)}.","Inorganic chemistry","2014","53","2","670","672","10.1021/ic402126e","","","0.71073","MoKα","","0.0553","0.0419","","","0.1102","0.12","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337125","12.822","0.003","8.8089","0.0019","14.026","0.003","90","","94.373","0.01","90","","1579.6","0.6","100","0.5","100","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 F6 N3 O5 P Re S -","- C8 H15 F6 N3 O5 P Re S -","- C32 H60 F24 N12 O20 P4 Re4 S4 -","4","1","","Abhayawardhana, Pramuditha L.; Marzilli, Patricia A.; Fronczek, Frank R.; Marzilli, Luigi G.","Complexes Possessing Rare ""Tertiary"" Sulfonamide Nitrogen-to-Metal Bonds of Normal Length: fac-[Re(CO)3(N(SO2R)dien)]PF6 Complexes with Hydrophilic Sulfonamide Ligands.","Inorganic chemistry","2014","53","2","1144","1155","10.1021/ic4026987","","","0.71073","MoKα","","0.02","0.0181","","","0.0432","0.0439","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337126","26.0233","0.0014","13.0607","0.0007","12.2147","0.0007","90","","95.831","0.003","90","","4130.1","0.4","100","0.5","100","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 F6 N3 O5 P Re S -","- C14 H19 F6 N3 O5 P Re S -","- C112 H152 F48 N24 O40 P8 Re8 S8 -","8","2","","Abhayawardhana, Pramuditha L.; Marzilli, Patricia A.; Fronczek, Frank R.; Marzilli, Luigi G.","Complexes Possessing Rare ""Tertiary"" Sulfonamide Nitrogen-to-Metal Bonds of Normal Length: fac-[Re(CO)3(N(SO2R)dien)]PF6 Complexes with Hydrophilic Sulfonamide Ligands.","Inorganic chemistry","2014","53","2","1144","1155","10.1021/ic4026987","","","0.71073","MoKα","","0.0441","0.0291","","","0.0516","0.0554","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337127","21.5552","0.0004","10.3266","0.0001","17.3114","0.0003","90","","107.77","0.002","90","","3669.53","0.11","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31.13 H31 B2 Co5.11 O11.13 Rh2 -","- C31.14 H31 B2 Co5.12 O11.14 Rh2 -","- C124.56 H124 B8 Co20.48 O44.56 Rh8 -","4","0.5","","Roy, Dipak Kumar; Barik, Subrat Kumar; Mondal, Bijan; Varghese, Babu; Ghosh, Sundargopal","A Novel Heterometallic μ9-Boride Cluster: Synthesis and Structural Characterization of [(η(5)-C5Me5Rh)2{Co6(CO)12}(μ-H)(BH)B].","Inorganic chemistry","2014","53","2","667","669","10.1021/ic4021178","","","0.71073","MoKα","","0.0606","0.0596","","","0.1368","0.1372","","","","","","1.352","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337128","14.3777","0.0003","12.2507","0.0002","16.3481","0.0003","90","","93.622","0.001","90","","2873.75","0.09","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H30 Co2 O7 Rh2 -","- C27 H30 Co2 O7 Rh2 -","- C108 H120 Co8 O28 Rh8 -","4","1","","Roy, Dipak Kumar; Barik, Subrat Kumar; Mondal, Bijan; Varghese, Babu; Ghosh, Sundargopal","A Novel Heterometallic μ9-Boride Cluster: Synthesis and Structural Characterization of [(η(5)-C5Me5Rh)2{Co6(CO)12}(μ-H)(BH)B].","Inorganic chemistry","2014","53","2","667","669","10.1021/ic4021178","","","0.71073","MoKα","","0.0215","0.0208","","","0.0492","0.0496","","","","","","1.054","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337129","8.2502","0.0005","10.8875","0.0007","14.7638","0.001","70.007","0.002","77.884","0.002","73.479","0.002","1185.39","0.13","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H38 B6 Co2 -","- C20 H38 B6 Co2 -","- C40 H76 B12 Co4 -","2","1","","Roy, Dipak Kumar; Barik, Subrat Kumar; Mondal, Bijan; Varghese, Babu; Ghosh, Sundargopal","A Novel Heterometallic μ9-Boride Cluster: Synthesis and Structural Characterization of [(η(5)-C5Me5Rh)2{Co6(CO)12}(μ-H)(BH)B].","Inorganic chemistry","2014","53","2","667","669","10.1021/ic4021178","","","0.71073","MoKα","","0.047","0.0319","","","0.0812","0.093","","","","","","1.068","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337130","10.8481","0.0009","14.1928","0.0006","30.7277","0.0008","90","","100.123","0.004","90","","4657.3","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 c 1","P -2yc","7","","","","- C25 H41 N3 Ru Si -","- C25 H41 N3 Ru Si -","- C200 H328 N24 Ru8 Si8 -","8","4","","Smart, Katharine A.; Grellier, Mary; Coppel, Yannick; Vendier, Laure; Mason, Sax A.; Capelli, Silvia C.; Albinati, Alberto; Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Sabo-Etienne, Sylviane","Nature of si-h interactions in a series of ruthenium silazane complexes using multinuclear solid-state NMR and neutron diffraction.","Inorganic chemistry","2014","53","2","1156","1165","10.1021/ic4027199","","x-ray","0.71073","MoKα","","0.049","0.0327","","","0.0612","0.0662","","","","","","0.992","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337131","14.266","0.0011","15.8964","0.0012","19.4635","0.0015","90","","90","","90","","4413.9","0.6","110","2","110","","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C25 H34 N2 Ru Si -","- C25 H34 N2 Ru Si -","- C200 H272 N16 Ru8 Si8 -","8","1","","Smart, Katharine A.; Grellier, Mary; Coppel, Yannick; Vendier, Laure; Mason, Sax A.; Capelli, Silvia C.; Albinati, Alberto; Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Sabo-Etienne, Sylviane","Nature of si-h interactions in a series of ruthenium silazane complexes using multinuclear solid-state NMR and neutron diffraction.","Inorganic chemistry","2014","53","2","1156","1165","10.1021/ic4027199","","x-ray","0.71073","MoKα","","0.0498","0.0344","","","0.0767","0.0854","","","","","","1.125","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337132","9.6855","0.0005","14.974","0.0009","16.1437","0.001","90","","107.199","0.002","90","","2236.6","0.2","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cl N3 Ru Si -","- C24 H32 Cl N3 Ru Si -","- C96 H128 Cl4 N12 Ru4 Si4 -","4","1","","Smart, Katharine A.; Grellier, Mary; Coppel, Yannick; Vendier, Laure; Mason, Sax A.; Capelli, Silvia C.; Albinati, Alberto; Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Sabo-Etienne, Sylviane","Nature of si-h interactions in a series of ruthenium silazane complexes using multinuclear solid-state NMR and neutron diffraction.","Inorganic chemistry","2014","53","2","1156","1165","10.1021/ic4027199","","x-ray","0.71073","MoKα","","0.0504","0.0308","","","0.0566","0.0629","","","","","","1.013","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337133","9.3827","0.0002","18.4666","0.0005","18.9153","0.0005","90","","92.516","0.001","90","","3274.23","0.14","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H55 N9 Ru Si3 -","- C27 H55 N9 Ru Si3 -","- C108 H220 N36 Ru4 Si12 -","4","1","","Smart, Katharine A.; Grellier, Mary; Coppel, Yannick; Vendier, Laure; Mason, Sax A.; Capelli, Silvia C.; Albinati, Alberto; Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Sabo-Etienne, Sylviane","Nature of si-h interactions in a series of ruthenium silazane complexes using multinuclear solid-state NMR and neutron diffraction.","Inorganic chemistry","2014","53","2","1156","1165","10.1021/ic4027199","","x-ray","0.71073","MoKα","","0.0239","0.0199","","","0.0489","0.051","","","","","","1.032","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337134","15.1399","0.0009","15.1399","0.0009","11.2499","0.0017","90","","90","","120","","2233.2","0.4","100","","100","","","","","","","","synthesis as described","5","R 3 :H","R 3","146","","","","- C27 H34 N6 Ru Si3 -","- C27 H34 N6 Ru Si3 -","- C81 H102 N18 Ru3 Si9 -","3","0.333333","","Smart, Katharine A.; Grellier, Mary; Coppel, Yannick; Vendier, Laure; Mason, Sax A.; Capelli, Silvia C.; Albinati, Alberto; Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Sabo-Etienne, Sylviane","Nature of si-h interactions in a series of ruthenium silazane complexes using multinuclear solid-state NMR and neutron diffraction.","Inorganic chemistry","2014","53","2","1156","1165","10.1021/ic4027199","","x-ray","0.71073","MoKα","","0.0176","0.0173","","","0.0419","0.0421","","","","","","1.058","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337135","9.7355","0.0006","9.5108","0.0006","33.6476","0.0017","90","","90.921","0.007","90","","3115.1","0.3","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl3 N9 Ru Si3 -","- C24 H28 Cl3 N9 Ru Si3 -","- C96 H112 Cl12 N36 Ru4 Si12 -","4","1","","Smart, Katharine A.; Grellier, Mary; Coppel, Yannick; Vendier, Laure; Mason, Sax A.; Capelli, Silvia C.; Albinati, Alberto; Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Sabo-Etienne, Sylviane","Nature of si-h interactions in a series of ruthenium silazane complexes using multinuclear solid-state NMR and neutron diffraction.","Inorganic chemistry","2014","53","2","1156","1165","10.1021/ic4027199","","x-ray","1.5418","CuKα","","0.0655","0.0496","","","0.1122","0.1195","","","","","","1.068","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337136","9.4948","0.0013","9.6324","0.0013","18.339","0.002","95.782","0.002","98.83","0.002","105.106","0.002","1582.6","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H41 N6 Ru Si3 -","- C30 H41 N6 Ru Si3 -","- C60 H82 N12 Ru2 Si6 -","2","1","","Smart, Katharine A.; Grellier, Mary; Coppel, Yannick; Vendier, Laure; Mason, Sax A.; Capelli, Silvia C.; Albinati, Alberto; Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Sabo-Etienne, Sylviane","Nature of si-h interactions in a series of ruthenium silazane complexes using multinuclear solid-state NMR and neutron diffraction.","Inorganic chemistry","2014","53","2","1156","1165","10.1021/ic4027199","","x-ray","0.71073","MoKα","","0.0379","0.0336","","","0.0795","0.0816","","","","","","1.048","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337137","9.3703","0.0002","18.4278","0.0005","18.8875","0.0005","90","","92.53","0.001","90","","3258.2","0.14","20","2","20","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[RuH{kappa-Si,N-(SiMe2)(C7H12N3)}3]","","","- C27 H55 N9 Ru Si3 -","- C27 H55 N9 Ru Si3 -","- C108 H220 N36 Ru4 Si12 -","4","1","","Smart, Katharine A.; Grellier, Mary; Coppel, Yannick; Vendier, Laure; Mason, Sax A.; Capelli, Silvia C.; Albinati, Alberto; Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Sabo-Etienne, Sylviane","Nature of si-h interactions in a series of ruthenium silazane complexes using multinuclear solid-state NMR and neutron diffraction.","Inorganic chemistry","2014","53","2","1156","1165","10.1021/ic4027199","","neutron","1.17","monochromatic","","0.0486","0.0439","","","0.1042","0.1068","","","","","","1.119","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337138","12.1134","0.0002","12.8423","0.0003","16.9086","0.0003","101.722","0.002","105.697","0.002","110.022","0.002","2248.41","0.1","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C27 H56 F6 N9 P Ru Si3 -","- C27 H56 F6 N9 P Ru Si3 -","- C54 H112 F12 N18 P2 Ru2 Si6 -","2","1","","Smart, Katharine A.; Grellier, Mary; Coppel, Yannick; Vendier, Laure; Mason, Sax A.; Capelli, Silvia C.; Albinati, Alberto; Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Sabo-Etienne, Sylviane","Nature of si-h interactions in a series of ruthenium silazane complexes using multinuclear solid-state NMR and neutron diffraction.","Inorganic chemistry","2014","53","2","1156","1165","10.1021/ic4027199","","x-ray","0.71073","MoKα","","0.0361","0.031","","","0.0846","0.087","","","","","","1.068","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337139","12.5626","0.0003","14.8823","0.0004","18.5097","0.0004","90.597","0.001","102.012","0.001","93.531","0.001","3377.43","0.14","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C59 H68 B F24 N9 Ru Si3 -","- C59 H68 B F24 N9 Ru Si3 -","- C118 H136 B2 F48 N18 Ru2 Si6 -","2","1","","Smart, Katharine A.; Grellier, Mary; Coppel, Yannick; Vendier, Laure; Mason, Sax A.; Capelli, Silvia C.; Albinati, Alberto; Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Sabo-Etienne, Sylviane","Nature of si-h interactions in a series of ruthenium silazane complexes using multinuclear solid-state NMR and neutron diffraction.","Inorganic chemistry","2014","53","2","1156","1165","10.1021/ic4027199","","x-ray","0.71073","MoKα","","0.0392","0.0333","","","0.0794","0.0838","","","","","","1.023","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337140","6.2784","0.0005","6.663","0.0003","10.1465","0.0008","81.519","0.008","82.589","0.008","85.66","0.006","415.61","0.05","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 Ni3 O12 -","- C16 H14 Ni3 O12 -","- C16 H14 Ni3 O12 -","1","0.5","","Mesbah, Adel; Rabu, Pierre; Sibille, Romain; Lebègue, Sébastien; Mazet, Thomas; Malaman, Bernard; François, Michel","From Hydrated Ni3(OH)2(C8H4O4)2(H2O)4 to Anhydrous Ni2(OH)2(C8H4O4): Impact of Structural Transformations on Magnetic Properties.","Inorganic chemistry","2014","53","2","872","881","10.1021/ic402106v","powder diffraction","","1.5418","CuKα","","","","","","","","","12.2363","","","","","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337141","19.8413","0.0004","3.31813","0.00006","6.26826","0.00013","90","","96.55","0.0011","90","","409.984","0.014","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H6 Ni2 O4 -","- C8 H6 Ni2 O4 -","- C16 H12 Ni4 O8 -","2","0.25","","Mesbah, Adel; Rabu, Pierre; Sibille, Romain; Lebègue, Sébastien; Mazet, Thomas; Malaman, Bernard; François, Michel","From Hydrated Ni3(OH)2(C8H4O4)2(H2O)4 to Anhydrous Ni2(OH)2(C8H4O4): Impact of Structural Transformations on Magnetic Properties.","Inorganic chemistry","2014","53","2","872","881","10.1021/ic402106v","powder diffraction","","0.79988","synchrotron","","","","","","","","","11.4206","","","","","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337142","26.835","0.005","13.736","0.005","21.431","0.005","90","0.005","126.545","0.005","90","0.005","6346","3","161","2","161","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H40 N8 O8 Re2 -","- C62 H42 N8 O8 Re2 -","- C248 H168 N32 O32 Re8 -","4","0.5","","Shankar, Bhaskaran; Sahu, Saugata; Deibel, Naina; Schweinfurth, David; Sarkar, Biprajit; Elumalai, Palani; Gupta, Deepak; Hussain, Firasat; Krishnamoorthy, Govindarajan; Sathiyendiran, Malaichamy","Luminescent dirhenium(i)-double-heterostranded helicate and mesocate.","Inorganic chemistry","2014","53","2","922","930","10.1021/ic4023135","","","0.71073","MoKα","","0.0555","0.0465","","","0.145","0.1495","","","","","","1.372","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4337143","12.302","0.005","15.165","0.005","18.904","0.005","83.977","0.005","74.106","0.005","69.732","0.005","3181.7","1.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H48 N8 O8 Re2 -","- C65 H48 N8 O8 Re2 -","- C130 H96 N16 O16 Re4 -","2","1","","Shankar, Bhaskaran; Sahu, Saugata; Deibel, Naina; Schweinfurth, David; Sarkar, Biprajit; Elumalai, Palani; Gupta, Deepak; Hussain, Firasat; Krishnamoorthy, Govindarajan; Sathiyendiran, Malaichamy","Luminescent dirhenium(i)-double-heterostranded helicate and mesocate.","Inorganic chemistry","2014","53","2","922","930","10.1021/ic4023135","","","0.71073","MoKα","","0.117","0.0886","","","0.2306","0.2474","","","","","","1.125","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337144","7.8497","0.0003","5.8106","0.0002","4.5754","0.0002","90","","90","","90","","208.691","0.014","173","2","173","2","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- B3 H8 Na -","- B3 H8 Na -","- B6 H16 Na2 -","2","0.5","","Dunbar, Andrew C.; Macor, Joseph A.; Girolami, Gregory S.","Synthesis and Single Crystal Structure of Sodium Octahydrotriborate, NaB3H8.","Inorganic chemistry","2014","53","2","822","826","10.1021/ic402127x","","","1.54178","CuKα","","0.022","0.022","","","0.0501","0.0502","","","","","","1.107","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337145","12.276","0.003","27.657","0.006","21.046","0.005","90","","90","","90","","7145","3","103","","103","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C74 H104 Mn2 N5 O7 -","- C74 H104 Mn2 N5 O7 -","- C296 H416 Mn8 N20 O28 -","4","0.5","","Kurahashi, Takuya; Hada, Masahiko; Fujii, Hiroshi","Di-μ-oxo Dimetal Core of Mn(IV) and Ti(IV) as a Linker Between Two Chiral Salen Complexes Leading to the Stereoselective Formation of Different M- and P-Helical Structures.","Inorganic chemistry","2014","53","2","1070","1079","10.1021/ic402572h","","","0.7107","MoKα","","","0.0413","","","","0.1071","","","","","","1.086","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337146","8.4336","0.0002","14.5042","0.0003","19.5495","0.0006","90","","91.276","0.001","90","","2390.75","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl3 N2 O Ru -","- C26 H23 Cl3 N2 O Ru -","- C104 H92 Cl12 N8 O4 Ru4 -","4","1","","Almodares, Zahra; Lucas, Stephanie J.; Crossley, Benjamin D.; Basri, Aida M.; Pask, Christopher M.; Hebden, Andrew J.; Phillips, Roger M.; McGowan, Patrick C.","Rhodium, iridium, and ruthenium half-sandwich picolinamide complexes as anticancer agents.","Inorganic chemistry","2014","53","2","727","736","10.1021/ic401529u","","","0.71073","MoKα","","0.0259","0.0213","","","0.0514","0.0553","","","","","","1.091","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337147","9.7097","0.0009","14.634","0.0015","16.3669","0.0015","90","","96.546","0.004","90","","2310.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl3 Ir N2 O2 -","- C22 H24 Cl3 Ir N2 O2 -","- C88 H96 Cl12 Ir4 N8 O8 -","4","1","","Almodares, Zahra; Lucas, Stephanie J.; Crossley, Benjamin D.; Basri, Aida M.; Pask, Christopher M.; Hebden, Andrew J.; Phillips, Roger M.; McGowan, Patrick C.","Rhodium, iridium, and ruthenium half-sandwich picolinamide complexes as anticancer agents.","Inorganic chemistry","2014","53","2","727","736","10.1021/ic401529u","","","0.71073","MoKα","","0.0318","0.022","","","0.0444","0.0477","","","","","","1.067","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337148","7.7924","0.001","22.664","0.003","14.6133","0.0019","90","","97.996","0.006","90","","2555.7","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Cl4 Ir N2 O -","- C23 H25 Cl4 Ir N2 O -","- C92 H100 Cl16 Ir4 N8 O4 -","4","1","","Almodares, Zahra; Lucas, Stephanie J.; Crossley, Benjamin D.; Basri, Aida M.; Pask, Christopher M.; Hebden, Andrew J.; Phillips, Roger M.; McGowan, Patrick C.","Rhodium, iridium, and ruthenium half-sandwich picolinamide complexes as anticancer agents.","Inorganic chemistry","2014","53","2","727","736","10.1021/ic401529u","","","0.71073","MoKα","","0.05","0.0235","","","0.0346","0.0406","","","","","","1.096","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337149","17.82","0.0004","10.5378","0.0002","24.2106","0.0006","90","","102.25","0.001","90","","4442.84","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Cl2 N2 O2.5 Ru -","- C22 H25 Cl2 N2 O2.5 Ru -","- C176 H200 Cl16 N16 O20 Ru8 -","8","2","","Almodares, Zahra; Lucas, Stephanie J.; Crossley, Benjamin D.; Basri, Aida M.; Pask, Christopher M.; Hebden, Andrew J.; Phillips, Roger M.; McGowan, Patrick C.","Rhodium, iridium, and ruthenium half-sandwich picolinamide complexes as anticancer agents.","Inorganic chemistry","2014","53","2","727","736","10.1021/ic401529u","","","0.71073","MoKα","","0.0357","0.0284","","","0.0726","0.0785","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337150","8.3556","0.0007","8.3782","0.0008","16.2423","0.0015","104.245","0.005","91.676","0.004","99.021","0.004","1085.71","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H21 Cl3 N2 O Ru -","- C22 H21 Cl3 N2 O Ru -","- C44 H42 Cl6 N4 O2 Ru2 -","2","1","","Almodares, Zahra; Lucas, Stephanie J.; Crossley, Benjamin D.; Basri, Aida M.; Pask, Christopher M.; Hebden, Andrew J.; Phillips, Roger M.; McGowan, Patrick C.","Rhodium, iridium, and ruthenium half-sandwich picolinamide complexes as anticancer agents.","Inorganic chemistry","2014","53","2","727","736","10.1021/ic401529u","","","0.71073","MoKα","","0.0219","0.0194","","","0.0488","0.0504","","","","","","1.058","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337151","8.525","0.0006","13.383","0.0012","20.7498","0.0017","90","","90","","90","","2367.3","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Cl3 N2 O2 Ru -","- C23 H25 Cl3 N2 O2 Ru -","- C92 H100 Cl12 N8 O8 Ru4 -","4","1","","Almodares, Zahra; Lucas, Stephanie J.; Crossley, Benjamin D.; Basri, Aida M.; Pask, Christopher M.; Hebden, Andrew J.; Phillips, Roger M.; McGowan, Patrick C.","Rhodium, iridium, and ruthenium half-sandwich picolinamide complexes as anticancer agents.","Inorganic chemistry","2014","53","2","727","736","10.1021/ic401529u","","","0.71073","MoKα","","0.0236","0.0213","","","0.044","0.045","","","","","","1.041","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337152","16.1177","0.001","8.5924","0.0005","29.2109","0.0019","90","","90","","90","","4045.4","0.4","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H22 Cl2 N2 O Ru -","- C22 H22 Cl2 N2 O Ru -","- C176 H176 Cl16 N16 O8 Ru8 -","8","2","","Almodares, Zahra; Lucas, Stephanie J.; Crossley, Benjamin D.; Basri, Aida M.; Pask, Christopher M.; Hebden, Andrew J.; Phillips, Roger M.; McGowan, Patrick C.","Rhodium, iridium, and ruthenium half-sandwich picolinamide complexes as anticancer agents.","Inorganic chemistry","2014","53","2","727","736","10.1021/ic401529u","","","0.71073","MoKα","","0.0354","0.0316","","","0.0773","0.08","","","","","","1.069","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337153","18.0809","0.001","41.675","0.002","16.9102","0.001","90","","90.162","0.001","90","","12742.1","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H48 N4 O11 Pt Ru3 -","- C53 H48 N4 O11 Pt Ru3 -","- C424 H384 N32 O88 Pt8 Ru24 -","8","2","","Saha, Sumit; Captain, Burjor","Synthesis and structural characterization of ruthenium carbonyl cluster complexes containing platinum with a bulky N-heterocyclic carbene ligand.","Inorganic chemistry","2014","53","2","1210","1216","10.1021/ic402832b","","","0.71073","MoKα","","0.1849","0.106","","","0.2205","0.2657","","","","","","1.113","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337154","16.4415","0.0009","15.8001","0.0009","20.6466","0.0012","90","","90.086","0.001","90","","5363.5","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H48 N4 O12 Pt2 Ru3 -","- C54 H48 N4 O12 Pt2 Ru3 -","- C216 H192 N16 O48 Pt8 Ru12 -","4","1","","Saha, Sumit; Captain, Burjor","Synthesis and structural characterization of ruthenium carbonyl cluster complexes containing platinum with a bulky N-heterocyclic carbene ligand.","Inorganic chemistry","2014","53","2","1210","1216","10.1021/ic402832b","","","0.71073","MoKα","","0.058","0.0485","","","0.1155","0.1202","","","","","","1.11","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337155","9.0916","0.0003","10.8002","0.0004","18.0566","0.0007","81.06","0.001","80.374","0.001","72.777","0.001","1659.06","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H20 N2 O9 Pt Ru2 -","- C30 H20 N2 O9 Pt Ru2 -","- C60 H40 N4 O18 Pt2 Ru4 -","2","1","","Saha, Sumit; Captain, Burjor","Synthesis and structural characterization of ruthenium carbonyl cluster complexes containing platinum with a bulky N-heterocyclic carbene ligand.","Inorganic chemistry","2014","53","2","1210","1216","10.1021/ic402832b","","","0.71073","MoKα","","0.0257","0.0231","","","0.0573","0.0584","","","","","","1.081","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337156","22.2711","0.0009","10.6747","0.0004","22.7224","0.0009","90","","117.779","0.001","90","","4779.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 N4 O6 Pt2 Ru -","- C48 H48 N4 O6 Pt2 Ru -","- C192 H192 N16 O24 Pt8 Ru4 -","4","1","","Saha, Sumit; Captain, Burjor","Synthesis and structural characterization of ruthenium carbonyl cluster complexes containing platinum with a bulky N-heterocyclic carbene ligand.","Inorganic chemistry","2014","53","2","1210","1216","10.1021/ic402832b","","","0.71073","MoKα","","0.0337","0.0248","","","0.0593","0.064","","","","","","1.024","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337157","11.1505","0.0005","11.3048","0.0005","15.8466","0.0007","108.061","0.001","99.189","0.001","94.688","0.001","1856.31","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O11 Ru4 -","- C32 H28 N2 O11 Ru4 -","- C64 H56 N4 O22 Ru8 -","2","1","","Saha, Sumit; Captain, Burjor","Synthesis and structural characterization of ruthenium carbonyl cluster complexes containing platinum with a bulky N-heterocyclic carbene ligand.","Inorganic chemistry","2014","53","2","1210","1216","10.1021/ic402832b","","","0.71073","MoKα","","0.055","0.0324","","","0.0623","0.0733","","","","","","1","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337158","18.1662","0.0009","17.0073","0.0009","12.9425","0.0007","90","","130.851","0.001","90","","3024.7","0.3","100","","100","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C52 H52 Cl4 N4 O8 Pt2 Ru2 -","- C52 H52 Cl4 N4 O8 Pt2 Ru2 -","- C104 H104 Cl8 N8 O16 Pt4 Ru4 -","2","0.5","","Saha, Sumit; Captain, Burjor","Synthesis and structural characterization of ruthenium carbonyl cluster complexes containing platinum with a bulky N-heterocyclic carbene ligand.","Inorganic chemistry","2014","53","2","1210","1216","10.1021/ic402832b","","","0.71073","MoKα","","0.0324","0.0309","","","0.0939","0.0947","","","","","","1.056","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337159","8.957","0.003","9.332","0.003","24.143","0.007","89.521","0.004","87.52","0.004","66.342","0.004","1846.6","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 N4 Pd S4 -","- C13 H16 N4 Pd S4 -","- C52 H64 N16 Pd4 S16 -","4","2","","Espa, Davide; Pilia, Luca; Makedonas, Christodoulos; Marchiò, Luciano; Mercuri, M. Laura; Serpe, Angela; Barsella, Alberto; Fort, Alain; Mitsopoulou, Christiana A.; Deplano, Paola","Role of the Acceptor in Tuning the Properties of Metal [M(II) = Ni, Pd, Pt] Dithiolato/Dithione (Donor/Acceptor) Second-Order Nonlinear Chromophores: Combined Experimental and Theoretical Studies.","Inorganic chemistry","2014","53","2","1170","1183","10.1021/ic402738b","","","0.71073","MoKα","","0.1451","0.0596","","","0.0783","0.0963","","","","","","1.002","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337160","8.994","0.002","9.354","0.002","24.146","0.006","89.73","0.004","87.22","0.005","66.29","0.004","1857.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 N4 Pt S4 -","- C13 H16 N4 Pt S4 -","- C52 H64 N16 Pt4 S16 -","4","2","","Espa, Davide; Pilia, Luca; Makedonas, Christodoulos; Marchiò, Luciano; Mercuri, M. Laura; Serpe, Angela; Barsella, Alberto; Fort, Alain; Mitsopoulou, Christiana A.; Deplano, Paola","Role of the Acceptor in Tuning the Properties of Metal [M(II) = Ni, Pd, Pt] Dithiolato/Dithione (Donor/Acceptor) Second-Order Nonlinear Chromophores: Combined Experimental and Theoretical Studies.","Inorganic chemistry","2014","53","2","1170","1183","10.1021/ic402738b","","","0.71073","MoKα","","0.0694","0.0431","","","0.0793","0.0857","","","","","","1.004","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337161","13.6279","0.0006","18.257","0.0006","14.4482","0.0006","90","","110.246","0.005","90","","3372.7","0.3","100.3","0.5","100.3","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H51 Mg2 N3 O4 -","- C32 H51 Mg2 N3 O4 -","- C128 H204 Mg8 N12 O16 -","4","1","","Gao, Yuan; Dai, Zhongran; Zhang, Jinjin; Ma, Xinxian; Tang, Ning; Wu, Jincai","Trinuclear and Tetranuclear Magnesium Alkoxide Clusters as Highly Active Initiators for Ring-Opening Polymerization of l-Lactide.","Inorganic chemistry","2014","53","2","716","726","10.1021/ic401459a","","","1.5418","CuKα","","0.0785","0.0701","","","0.193","0.2027","","","","","","1.066","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337162","16.8271","0.0005","16.2974","0.0004","19.0381","0.0006","90","","108.324","0.003","90","","4956.2","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H82 Mg3 N4 O6 -","- C44 H82 Mg3 N4 O6 -","- C176 H328 Mg12 N16 O24 -","4","1","","Gao, Yuan; Dai, Zhongran; Zhang, Jinjin; Ma, Xinxian; Tang, Ning; Wu, Jincai","Trinuclear and Tetranuclear Magnesium Alkoxide Clusters as Highly Active Initiators for Ring-Opening Polymerization of l-Lactide.","Inorganic chemistry","2014","53","2","716","726","10.1021/ic401459a","","","0.7107","MoKα","","0.0657","0.0459","","","0.0969","0.1095","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337163","16.0188","0.0002","17.3708","0.0002","16.2816","0.0002","90","","93.8503","0.0013","90","","4520.28","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H74 Mg3 N4 O6 -","- C40 H74 Mg3 N4 O6 -","- C160 H296 Mg12 N16 O24 -","4","1","","Gao, Yuan; Dai, Zhongran; Zhang, Jinjin; Ma, Xinxian; Tang, Ning; Wu, Jincai","Trinuclear and Tetranuclear Magnesium Alkoxide Clusters as Highly Active Initiators for Ring-Opening Polymerization of l-Lactide.","Inorganic chemistry","2014","53","2","716","726","10.1021/ic401459a","","","1.54184","CuKα","","0.0371","0.0334","","","0.0891","0.0924","","","","","","1.028","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337164","9.7974","0.0009","11.3807","0.0009","14.21","0.0006","80.512","0.005","81.229","0.006","80.605","0.007","1528.9","0.2","206","20","206","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 Cl2 Mg2 O7 -","- C24 H42 Cl2 Mg2 O7 -","- C48 H84 Cl4 Mg4 O14 -","2","1","","Gao, Yuan; Dai, Zhongran; Zhang, Jinjin; Ma, Xinxian; Tang, Ning; Wu, Jincai","Trinuclear and Tetranuclear Magnesium Alkoxide Clusters as Highly Active Initiators for Ring-Opening Polymerization of l-Lactide.","Inorganic chemistry","2014","53","2","716","726","10.1021/ic401459a","","","0.71073","MoKα","","0.1029","0.0822","","","0.2405","0.2654","","","","","","1.049","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337165","10.4677","0.0016","10.9528","0.0018","13.4461","0.0017","109.035","0.013","104.169","0.012","105.59","0.014","1306.8","0.4","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H38 Mg2 O7.5 -","- C23 H38 Mg2 O7.5 -","- C46 H76 Mg4 O15 -","2","1","","Gao, Yuan; Dai, Zhongran; Zhang, Jinjin; Ma, Xinxian; Tang, Ning; Wu, Jincai","Trinuclear and Tetranuclear Magnesium Alkoxide Clusters as Highly Active Initiators for Ring-Opening Polymerization of l-Lactide.","Inorganic chemistry","2014","53","2","716","726","10.1021/ic401459a","","","0.71073","MoKα","","0.0755","0.0577","","","0.149","0.1645","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337166","19.88","0.002","8.5182","0.001","15.1491","0.0016","90","","112.735","0.007","90","","2366.1","0.5","193","2","193","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H44 B4 Ca N2 O2 -","- C12 H44 B4 Ca N2 O2 -","- C48 H176 B16 Ca4 N8 O8 -","4","1","","Dunbar, Andrew C.; Girolami, Gregory S.","Synthesis and characterization of calcium n,n-dimethylaminodiboranates as possible chemical vapor deposition precursors.","Inorganic chemistry","2014","53","2","888","896","10.1021/ic402237b","","","0.71073","MoKα","","0.0863","0.0467","","","0.1001","0.1171","","","","","","0.972","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337167","11.5087","0.0002","11.5087","0.0002","28.5959","0.0013","90","","90","","120","","3280.1","0.17","193","2","193","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C12 H40 B4 Ca N2 O2 -","- C12 H40 B4 Ca N2 O2 -","- C72 H240 B24 Ca6 N12 O12 -","6","1","","Dunbar, Andrew C.; Girolami, Gregory S.","Synthesis and characterization of calcium n,n-dimethylaminodiboranates as possible chemical vapor deposition precursors.","Inorganic chemistry","2014","53","2","888","896","10.1021/ic402237b","","","0.71073","MoKα","","0.0348","0.0291","","","0.0771","0.0797","","","","","","1.025","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337168","9.5866","0.001","14.2788","0.0014","14.8732","0.0016","89.536","0.007","76.043","0.007","77.185","0.007","1924.4","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H34 B4 Ca N2 O2 -","- C8 H34 B4 Ca N2 O2 -","- C32 H136 B16 Ca4 N8 O8 -","4","2","","Dunbar, Andrew C.; Girolami, Gregory S.","Synthesis and characterization of calcium n,n-dimethylaminodiboranates as possible chemical vapor deposition precursors.","Inorganic chemistry","2014","53","2","888","896","10.1021/ic402237b","","","0.71073","MoKα","","0.159","0.0522","","","0.0982","0.1237","","","","","","0.764","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337169","10.2617","0.0015","11.28","0.0016","18.027","0.003","90","","90","","90","","2086.7","0.5","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H38 B4 Ca N2 O3 -","- C10 H38 B4 Ca N2 O3 -","- C40 H152 B16 Ca4 N8 O12 -","4","0.5","","Dunbar, Andrew C.; Girolami, Gregory S.","Synthesis and characterization of calcium n,n-dimethylaminodiboranates as possible chemical vapor deposition precursors.","Inorganic chemistry","2014","53","2","888","896","10.1021/ic402237b","","","0.71073","MoKα","","0.1558","0.039","","","0.05","0.0644","","","","","","0.697","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337170","10.1637","0.0006","14.9076","0.0009","13.7731","0.0008","90","","97.201","0.004","90","","2070.4","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H40 B4 Ca N4 -","- C10 H40 B4 Ca N4 -","- C40 H160 B16 Ca4 N16 -","4","1","","Dunbar, Andrew C.; Girolami, Gregory S.","Synthesis and characterization of calcium n,n-dimethylaminodiboranates as possible chemical vapor deposition precursors.","Inorganic chemistry","2014","53","2","888","896","10.1021/ic402237b","","","0.71073","MoKα","","0.0755","0.0474","","","0.118","0.1285","","","","","","0.988","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337171","15.7631","0.001","10.1952","0.0006","23.2794","0.0015","90","","104.528","0.003","90","","3621.6","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H64 B4 Ca N2 O9 -","- C24 H64 B4 Ca N2 O9 -","- C96 H256 B16 Ca4 N8 O36 -","4","1","","Dunbar, Andrew C.; Girolami, Gregory S.","Synthesis and characterization of calcium n,n-dimethylaminodiboranates as possible chemical vapor deposition precursors.","Inorganic chemistry","2014","53","2","888","896","10.1021/ic402237b","","","0.71073","MoKα","","0.0885","0.0478","","","0.1111","0.1243","","","","","","0.91","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337172","9.988","0.003","18.83","0.005","29.206","0.008","90","","95.846","0.008","90","","5464","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H54 Cl2 Cu2 N2 P4 -","- C60 H54 Cl2 Cu2 N2 P4 -","- C240 H216 Cl8 Cu8 N8 P16 -","4","1","","Kumar, Shanish; Mani, Ganesan; Dutta, Debodyuti; Mishra, Sabyashachi","Structural Diversity of Copper(I) Complexes Formed by Pyrrole- and Dipyrrolylmethane-Based Diphosphine Ligands with Cu-X···HN Hydrogen Bonds.","Inorganic chemistry","2014","53","2","700","709","10.1021/ic402253y","","","0.71073","MoKα","","0.1491","0.0748","","","0.1767","0.2184","","","","","","1.058","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337173","11.9315","0.0004","21.6633","0.0008","22.2219","0.0008","90","","103.446","0.001","90","","5586.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 Cu2 I2 N2 P4 -","- C60 H54 Cu2 I2 N2 P4 -","- C240 H216 Cu8 I8 N8 P16 -","4","1","","Kumar, Shanish; Mani, Ganesan; Dutta, Debodyuti; Mishra, Sabyashachi","Structural Diversity of Copper(I) Complexes Formed by Pyrrole- and Dipyrrolylmethane-Based Diphosphine Ligands with Cu-X···HN Hydrogen Bonds.","Inorganic chemistry","2014","53","2","700","709","10.1021/ic402253y","","","0.71073","MoKα","","0.1011","0.0452","","","0.0915","0.1144","","","","","","1.046","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337174","11.0444","0.0007","13.7726","0.0009","14.0611","0.0009","112.505","0.002","94.387","0.002","93.33","0.002","1961.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Cl Cu N2 P2 -","- C47 H40 Cl Cu N2 P2 -","- C94 H80 Cl2 Cu2 N4 P4 -","2","1","","Kumar, Shanish; Mani, Ganesan; Dutta, Debodyuti; Mishra, Sabyashachi","Structural Diversity of Copper(I) Complexes Formed by Pyrrole- and Dipyrrolylmethane-Based Diphosphine Ligands with Cu-X···HN Hydrogen Bonds.","Inorganic chemistry","2014","53","2","700","709","10.1021/ic402253y","","","0.71073","MoKα","","0.0634","0.0403","","","0.0937","0.1054","","","","","","1.015","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337175","11.122","0.006","13.824","0.008","14.055","0.008","112.608","0.018","94.64","0.02","94.06","0.02","1976.1","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Br Cu N2 P2 -","- C47 H40 Br Cu N2 P2 -","- C94 H80 Br2 Cu2 N4 P4 -","2","1","","Kumar, Shanish; Mani, Ganesan; Dutta, Debodyuti; Mishra, Sabyashachi","Structural Diversity of Copper(I) Complexes Formed by Pyrrole- and Dipyrrolylmethane-Based Diphosphine Ligands with Cu-X···HN Hydrogen Bonds.","Inorganic chemistry","2014","53","2","700","709","10.1021/ic402253y","","","0.71073","MoKα","","0.1728","0.0609","","","0.0862","0.1194","","","","","","0.978","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337176","9.5043","0.0014","11.7029","0.0018","19.291","0.003","76.012","0.005","85.609","0.005","75.171","0.005","2012.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Cu I N2 P2 -","- C47 H40 Cu I N2 P2 -","- C94 H80 Cu2 I2 N4 P4 -","2","1","","Kumar, Shanish; Mani, Ganesan; Dutta, Debodyuti; Mishra, Sabyashachi","Structural Diversity of Copper(I) Complexes Formed by Pyrrole- and Dipyrrolylmethane-Based Diphosphine Ligands with Cu-X···HN Hydrogen Bonds.","Inorganic chemistry","2014","53","2","700","709","10.1021/ic402253y","","","0.71073","MoKα","","0.0897","0.0483","","","0.0944","0.1101","","","","","","1.029","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337177","17.3607","0.0015","12.7387","0.0011","22.6008","0.0018","90","","104.827","0.002","90","","4831.8","0.7","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C102 H96 Cu4 I4 N4 O2 P4 -","- C94 H80 Cu4 I4 N4 P4 -","- C188 H160 Cu8 I8 N8 P8 -","2","0.5","","Kumar, Shanish; Mani, Ganesan; Dutta, Debodyuti; Mishra, Sabyashachi","Structural Diversity of Copper(I) Complexes Formed by Pyrrole- and Dipyrrolylmethane-Based Diphosphine Ligands with Cu-X···HN Hydrogen Bonds.","Inorganic chemistry","2014","53","2","700","709","10.1021/ic402253y","","","0.71073","MoKα","","0.0762","0.0472","","","0.0948","0.1048","","","","","","1.036","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337178","24.571","0.008","16.581","0.005","17.629","0.005","90","","122.542","0.008","90","","6055","3","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C71 H56 B Cl Cu2 F4 N6 P2 -","- C71 H56 B Cl Cu2 F4 N6 P2 -","- C284 H224 B4 Cl4 Cu8 F16 N24 P8 -","4","1","","Kumar, Shanish; Mani, Ganesan; Dutta, Debodyuti; Mishra, Sabyashachi","Structural Diversity of Copper(I) Complexes Formed by Pyrrole- and Dipyrrolylmethane-Based Diphosphine Ligands with Cu-X···HN Hydrogen Bonds.","Inorganic chemistry","2014","53","2","700","709","10.1021/ic402253y","","","0.71073","MoKα","","0.1653","0.0672","","","0.09","0.1149","","","","","","0.992","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337179","42.72","0.009","5.94","0.0012","24.2","0.005","90","","114","0.03","90","","5610","2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H34 B F4 N4 O Pt -","- C31 H34 B F4 N4 O Pt -","- C248 H272 B8 F32 N32 O8 Pt8 -","8","2","","Deibel, Naina; Schweinfurth, David; Hohloch, Stephan; Delor, Milan; Sazanovich, Igor V.; Towrie, Michael; Weinstein, Julia A.; Sarkar, Biprajit","Electrochemistry, Chemical Reactivity, and Time-Resolved Infrared Spectroscopy of Donor-Acceptor Systems [(Q(x))Pt(pap(y))] (Q = Substituted o-Quinone or o-Iminoquinone; pap = Phenylazopyridine).","Inorganic chemistry","2014","53","2","1021","1031","10.1021/ic4024713","","","0.71073","MoKα","","0.0327","0.0283","","","0.0659","0.078","","","","","","1.174","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337180","13.037","0.002","14.066","0.002","15.397","0.003","78.583","0.007","82.987","0.009","70.899","0.007","2610.2","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H55 Cl2 F6 N O P3 Pt -","- C57 H55 Cl2 F6 N O P3 Pt -","- C114 H110 Cl4 F12 N2 O2 P6 Pt2 -","2","1","","Deibel, Naina; Schweinfurth, David; Hohloch, Stephan; Delor, Milan; Sazanovich, Igor V.; Towrie, Michael; Weinstein, Julia A.; Sarkar, Biprajit","Electrochemistry, Chemical Reactivity, and Time-Resolved Infrared Spectroscopy of Donor-Acceptor Systems [(Q(x))Pt(pap(y))] (Q = Substituted o-Quinone or o-Iminoquinone; pap = Phenylazopyridine).","Inorganic chemistry","2014","53","2","1021","1031","10.1021/ic4024713","","","0.71073","MoKα","","0.0216","0.0183","","","0.0435","0.0451","","","","","","1.07","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337181","12.2001","0.0007","13.8477","0.0008","18.6741","0.0011","90","","101.914","0.001","90","","3086.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H46 Cl2 O2 P2 Ru S -","- C29 H46 Cl2 O2 P2 Ru S -","- C116 H184 Cl8 O8 P8 Ru4 S4 -","4","1","","Alós, Joaquín; Bolaño, Tamara; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","POP-Pincer Ruthenium Complexes: d(6) Counterparts of Osmium d(4) Species.","Inorganic chemistry","2014","53","2","1195","1209","10.1021/ic402795g","","","0.71073","MoKα","","0.0568","0.0341","","","0.0749","0.0847","","","","","","0.992","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337182","10.652","0.003","12.276","0.004","23.675","0.007","90","","90","","90","","3095.8","1.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H47 Cl O2 P2 Ru S -","- C29 H47 Cl O2 P2 Ru S -","- C116 H188 Cl4 O8 P8 Ru4 S4 -","4","1","","Alós, Joaquín; Bolaño, Tamara; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","POP-Pincer Ruthenium Complexes: d(6) Counterparts of Osmium d(4) Species.","Inorganic chemistry","2014","53","2","1195","1209","10.1021/ic402795g","","","0.71073","MoKα","","0.0636","0.0447","","","0.0807","0.0857","","","","","","0.988","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337183","11.3942","0.0008","12.0436","0.0009","22.0937","0.0016","90","","90","","90","","3031.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H48 O2 P2 Ru S -","- C29 H48 O2 P2 Ru S -","- C116 H192 O8 P8 Ru4 S4 -","4","1","","Alós, Joaquín; Bolaño, Tamara; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","POP-Pincer Ruthenium Complexes: d(6) Counterparts of Osmium d(4) Species.","Inorganic chemistry","2014","53","2","1195","1209","10.1021/ic402795g","","","0.71073","MoKα","","0.0475","0.0371","","","0.0792","0.0847","","","","","","1.074","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337184","13.3598","0.0017","14.0823","0.0018","39.586","0.005","90","","92.453","0.002","90","","7440.8","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 Cl2 O P2 Ru -","- C42 H50 Cl2 O P2 Ru -","- C336 H400 Cl16 O8 P16 Ru8 -","8","2","","Alós, Joaquín; Bolaño, Tamara; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","POP-Pincer Ruthenium Complexes: d(6) Counterparts of Osmium d(4) Species.","Inorganic chemistry","2014","53","2","1195","1209","10.1021/ic402795g","","","0.71073","MoKα","","0.1155","0.0751","","","0.1416","0.1581","","","","","","1.074","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337185","22.2729","0.0012","14.7254","0.0008","11.6178","0.0006","90","","90","","90","","3810.4","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H50 Cl2 O Os P2 -","- C42 H50 Cl2 O Os P2 -","- C168 H200 Cl8 O4 Os4 P8 -","4","1","","Alós, Joaquín; Bolaño, Tamara; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","POP-Pincer Ruthenium Complexes: d(6) Counterparts of Osmium d(4) Species.","Inorganic chemistry","2014","53","2","1195","1209","10.1021/ic402795g","","","0.71073","MoKα","","0.0377","0.0279","","","0.0601","0.066","","","","","","1.008","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337186","12.183","0.005","12.582","0.004","16.689","0.005","93.84","0.02","91.81","0.02","107.65","0.02","2428.7","1.5","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H58 N24 Ni3 O3 -","- C37 H58 N24 Ni3 O3 -","- C74 H116 N48 Ni6 O6 -","2","1","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0762","0.0531","","","0.1318","0.1423","","","","","","1.069","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337187","12.742","0.005","12.023","0.004","16.827","0.004","90","","108.06","0.02","90","","2450.8","1.4","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 N12 Ni2 O3 -","- C17 H32 N12 Ni2 O3 -","- C68 H128 N48 Ni8 O12 -","4","1","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0402","0.0402","","","0.0978","0.0978","","","","","","1.261","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337188","9.194","0.004","12.236","0.004","15.887","0.006","70.99","0.02","89.05","0.02","87.42","0.02","1688.1","1.1","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H72 N32 Ni4 O4 -","- C60 H72 N32 Ni4 O4 -","- C60 H72 N32 Ni4 O4 -","1","0.5","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0624","0.0506","","","0.1322","0.1432","","","","","","1.083","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337189","9.8184","0.0003","13.0209","0.0004","16.2408","0.0005","81.061","0.003","77.215","0.003","78.688","0.002","1971.82","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H94 N30 Ni4 O4 -","- C74 H94 N30 Ni4 O4 -","- C74 H94 N30 Ni4 O4 -","1","0.5","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.037","0.0308","","","0.0685","0.0723","","","","","","1.038","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337190","31.1231","0.0012","13.5792","0.0005","22.1012","0.0008","90","","128.426","0.001","90","","7317.5","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H69 N19 Ni5 O15 -","- C62 H69 N19 Ni5 O15 -","- C248 H276 N76 Ni20 O60 -","4","0.5","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0525","0.036","","","0.0856","0.0934","","","","","","1.047","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337191","17.8824","0.0003","17.8824","0.0003","72.9661","0.0014","90","","90","","120","","20207.1","0.6","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C110 H159 N63 Ni9 O12 -","- C110 H156 N63 Ni9 O12 -","- C660 H936 N378 Ni54 O72 -","6","0.166667","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0353","0.0267","","","0.0715","0.0784","","","","","","1.065","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337192","17.918","0.005","17.918","0.005","73.01","0.02","90","","90","","120","","20300","10","105","2","105","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C108 H160 B2 F8 N60 Ni9 O8 -","- C108 H156 B2 F8 N60 Ni9 O8 -","- C648 H936 B12 F48 N360 Ni54 O48 -","6","0.166667","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0794","0.0651","","","0.1914","0.2056","","","","","","1.157","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337193","17.9145","0.0008","17.9145","0.0008","72.917","0.005","90","","90","","120","","20266","1.9","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C109 H160 F2 N60 Ni9 O7 -","- C109 H156 F2.04 N60 Ni9 O7 -","- C654 H936 F12.24 N360 Ni54 O42 -","6","0.166667","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0708","0.0459","","","0.146","0.1632","","","","","","1.077","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337194","18.0085","0.0009","18.0085","0.0009","73.205","0.005","90","","90","","120","","20560","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C216 H314 Cl4 N120 Ni18 O13 -","- C216 H312 Cl4.08 N120 Ni18 O13 -","- C648 H936 Cl12.24 N360 Ni54 O39 -","3","0.0833333","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0742","0.0379","","","0.1056","0.1265","","","","","","1.043","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337195","18.0774","0.0008","18.0774","0.0008","72.889","0.004","90","","90","","120","","20628.4","1.7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C108 H156 Br3 N57 Ni9 O7 -","- C108 H156 Br3.04 N57 Ni9 O7 -","- C648 H936 Br18.24 N342 Ni54 O42 -","6","0.166667","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0734","0.0501","","","0.1466","0.1676","","","","","","1.066","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337196","17.9113","0.0012","17.9113","0.0012","72.574","0.005","90","","90","","120","","20163","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C108 H160 I3 N57 Ni9 O8 -","- C108 H156 I3 N57 Ni9 O8 -","- C648 H936 I18 N342 Ni54 O48 -","6","0.166667","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0761","0.0545","","","0.1679","0.1883","","","","","","1.061","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337197","17.792","0.0005","17.792","0.0005","72.826","0.003","90","","90","","120","","19964.9","1.1","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C104 H154 Cl2 N66 Ni9 O16 -","- C104 H150 Cl2 N66 Ni9 O15.98 -","- C624 H900 Cl12 N396 Ni54 O95.88 -","6","0.166667","","Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert","Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.","Inorganic chemistry","2014","53","2","1113","1121","10.1021/ic402651k","","","0.71073","MoKα","","0.0598","0.0452","","","0.1127","0.1266","","","","","","1.028","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4337198","14.51","0.002","14.941","0.002","17.181","0.004","101.266","0.003","99.829","0.003","112.01","0.002","3262.6","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[PPh4][Fe(PS3"")(CH3CN)]","","","- C65 H56 Fe N5 O P2 S3 Si3 -","- C65 H56 Fe N5 O P2 S3 Si3 -","- C130 H112 Fe2 N10 O2 P4 S6 Si6 -","2","1","","Chang, Ya-Ho; Chan, Pooi-Mun; Tsai, Yi-Fang; Lee, Gene-Hsiang; Hsu, Hua-Fen","Catalytic Reduction of Hydrazine to Ammonia by a Mononuclear Iron(II) Complex on a Tris(thiolato)phosphine Platform.","Inorganic chemistry","2014","53","2","664","666","10.1021/ic402108w","","","0.71073","MoKα","","0.1384","0.0741","","","0.203","0.2352","","","","","","1.018","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337199","14.8275","0.0007","25.9245","0.0011","17.1163","0.0007","90","","97.986","0.002","90","","6515.6","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Fe(PS3"")(N2H4)][NBu4]","","","- C53 H106 Fe N3 O5 P S3 Si3 -","- C53 H106 Fe N3 O5 P S3 Si3 -","- C212 H424 Fe4 N12 O20 P4 S12 Si12 -","4","1","","Chang, Ya-Ho; Chan, Pooi-Mun; Tsai, Yi-Fang; Lee, Gene-Hsiang; Hsu, Hua-Fen","Catalytic Reduction of Hydrazine to Ammonia by a Mononuclear Iron(II) Complex on a Tris(thiolato)phosphine Platform.","Inorganic chemistry","2014","53","2","664","666","10.1021/ic402108w","","","0.71073","MoKα","","0.1323","0.0644","","","0.1517","0.1815","","","","","","1.001","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337200","19.5139","0.0003","24.4891","0.0003","20.9796","0.0003","90","","96.4301","0.0006","90","","9962.6","0.2","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[NEt4][Fe(PS3"")(NH3)]","","","- C41 H77 Fe N2 O3 P S3 Si3 -","- C41 H77 Fe N2 O3 P S3 Si3 -","- C328 H616 Fe8 N16 O24 P8 S24 Si24 -","8","1","","Chang, Ya-Ho; Chan, Pooi-Mun; Tsai, Yi-Fang; Lee, Gene-Hsiang; Hsu, Hua-Fen","Catalytic Reduction of Hydrazine to Ammonia by a Mononuclear Iron(II) Complex on a Tris(thiolato)phosphine Platform.","Inorganic chemistry","2014","53","2","664","666","10.1021/ic402108w","","","0.71073","MoKα","","0.074","0.0497","","","0.1359","0.1482","","","","","","1.109","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337201","15.1877","0.0019","11.7191","0.0015","30.919","0.004","90","","90","","90","","5503.2","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H29 Cl3 N6 O13 Ru -","- C19 H29 Cl3 N6 O13 Ru -","- C152 H232 Cl24 N48 O104 Ru8 -","8","1","","Codesido, Nicolás Osa; Weyhermüller, Thomas; Olabe, José A; Slep, Leonardo D.","Nitrosyl-Centered Redox and Acid-Base Interconversions in [Ru(Me3[9]aneN3)(bpy)(NO)](3,2,1+). The pKa of HNO for its Nitroxyl Derivative in Aqueous Solution.","Inorganic chemistry","2014","53","2","981","997","10.1021/ic402448p","","","0.71073","MoKα","","0.0783","0.0608","","","0.1433","0.1529","","","","","","1.187","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337202","25.25","0.009","12.053","0.004","8.325","0.003","90","","90","","90","","2533.6","1.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H34 Cl N7 O7 Ru -","- C21 H29 Cl N7 O7 Ru -","- C84 H116 Cl4 N28 O28 Ru4 -","4","0.5","","Codesido, Nicolás Osa; Weyhermüller, Thomas; Olabe, José A; Slep, Leonardo D.","Nitrosyl-Centered Redox and Acid-Base Interconversions in [Ru(Me3[9]aneN3)(bpy)(NO)](3,2,1+). The pKa of HNO for its Nitroxyl Derivative in Aqueous Solution.","Inorganic chemistry","2014","53","2","981","997","10.1021/ic402448p","","","0.71073","MoKα","","0.0745","0.0688","","","0.1676","0.1706","","","","","","1.263","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337203","8.2554","0.0016","8.9604","0.0018","11.657","0.002","69.295","0.01","71.751","0.01","63.885","0.009","711.4","0.2","278","2","278","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H40 N12 O12 Pt2 -","- C14 H40 N12 O12 Pt2 -","- C14 H40 N12 O12 Pt2 -","1","0.5","","Otsubo, Kazuya; Kobayashi, Atsushi; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Variable-rung design for a mixed-valence two-legged ladder system situated in a dimensional crossover region.","Inorganic chemistry","2014","53","2","1229","1240","10.1021/ic402846v","","","0.7107","MoKα","","0.0328","0.031","","","0.0782","0.0793","","","","","","1.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337204","25.047","0.003","10.2155","0.0012","27.692","0.003","90","","109.926","0.001","90","","6661.3","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 N14 O14 Pt2 -","- C18 H34 N14 O14 Pt2 -","- C144 H272 N112 O112 Pt16 -","8","1","","Otsubo, Kazuya; Kobayashi, Atsushi; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Variable-rung design for a mixed-valence two-legged ladder system situated in a dimensional crossover region.","Inorganic chemistry","2014","53","2","1229","1240","10.1021/ic402846v","","","0.71073","MoKα","","0.0443","0.0417","","","0.097","0.0987","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337205","14.0452","0.0018","11.1313","0.0014","15.0297","0.0019","90","","111.114","0.001","90","","2192","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H50 Cl4 N14 O16 Pt2 -","- C24 H50 Cl4 N14 O16 Pt2 -","- C48 H100 Cl8 N28 O32 Pt4 -","2","0.5","","Otsubo, Kazuya; Kobayashi, Atsushi; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Variable-rung design for a mixed-valence two-legged ladder system situated in a dimensional crossover region.","Inorganic chemistry","2014","53","2","1229","1240","10.1021/ic402846v","","","0.71073","MoKα","","0.0382","0.0374","","","0.1056","0.1065","","","","","","1.129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337206","17.91","0.003","11.4097","0.0018","17.05","0.003","90","","108.587","0.002","90","","3302.4","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H38 Br2 N12 O14 Pt2 -","- C18 H34 Br2 N12 O14 Pt2 -","- C72 H136 Br8 N48 O56 Pt8 -","4","1","","Otsubo, Kazuya; Kobayashi, Atsushi; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Variable-rung design for a mixed-valence two-legged ladder system situated in a dimensional crossover region.","Inorganic chemistry","2014","53","2","1229","1240","10.1021/ic402846v","","","0.71073","MoKα","","0.0613","0.055","","","0.1528","0.1632","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337207","15.0812","0.0017","18.109","0.002","5.5828","0.0006","90","","90","","90","","1524.7","0.3","100","2","100","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C14 H40 Br2 N12 O12 Pt2 -","- C14 Br2 N12 O12 Pt2 -","- C28 Br4 N24 O24 Pt4 -","2","0.25","","Otsubo, Kazuya; Kobayashi, Atsushi; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Variable-rung design for a mixed-valence two-legged ladder system situated in a dimensional crossover region.","Inorganic chemistry","2014","53","2","1229","1240","10.1021/ic402846v","","","0.71073","MoKα","","0.0289","0.0277","","","0.0777","0.079","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337208","9.1522","0.0013","10.9649","0.0016","38.5","0.005","90.017","0.001","90.011","0.001","90.044","0.001","3863.6","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H40 Cl6 N10 O17 Pt2 -","- C21 H40 Cl6 N10 O17 Pt2 -","- C84 H160 Cl24 N40 O68 Pt8 -","4","2","","Otsubo, Kazuya; Kobayashi, Atsushi; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Variable-rung design for a mixed-valence two-legged ladder system situated in a dimensional crossover region.","Inorganic chemistry","2014","53","2","1229","1240","10.1021/ic402846v","","","0.71073","MoKα","","0.0685","0.0537","","","0.1088","0.1139","","","","","","1.299","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337209","9.0236","0.0003","12.5884","0.0003","26.6685","0.0007","90","","97.331","0.002","90","","3004.58","0.15","170","2","170","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 B F4 Mo2 N2 O S3 -","- C24 H39 B F4 Mo2 N2 O S3 -","- C96 H156 B4 F16 Mo8 N8 O4 S12 -","4","1","","Le Goff, Alan; Vénec, David; Le Roy, Christine; Pétillon, François Y; Schollhammer, Philippe; Talarmin, Jean","Acid-base control of hemilabile proton-responsive protecting devices in dimolybdenum, thiolate-bridged complexes.","Inorganic chemistry","2014","53","4","2200","2210","10.1021/ic402873c","","","0.71073","MoKα","","0.0556","0.0315","","","0.0709","0.0756","","","","","","0.957","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337210","7.1614","0.0004","7.1614","0.0004","19.0269","0.0015","90","","90","","90","","975.81","0.11","140","2","140","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0253","0.0252","","","0.0679","0.0679","","","","","","1.346","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337211","7.151","0.0004","7.151","0.0004","19.0089","0.0011","90","","90","","90","","972.05","0.1","109","2","109","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0241","0.024","","","0.0617","0.0617","","","","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337212","7.192","0.002","7.192","0.002","19.094","0.009","90","","90","","90","","987.6","0.6","223","2","223","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0446","0.0414","","","0.1157","0.1192","","","","","","1.359","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337213","5.12","0.004","5.12","0.004","19.272","0.014","90","","90","","90","","505.2","0.7","383","2","383","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C0.13 H0.75 Cl0.25 Fe0.06 N0.13 -","- C0.125 H0.78 Cl0.25 Fe0.0625 N0.125 -","- C4 H24.96 Cl8 Fe2 N4 -","32","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0323","0.0317","","","0.0826","0.0835","","","","","","1.274","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337214","7.156","0.003","7.156","0.003","19.041","0.009","90","","90","","90","","975.1","0.7","90","2","90","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0323","0.0306","","","0.0748","0.0757","","","","","","1.181","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337215","7.204","0.003","7.204","0.003","19.126","0.012","90","","90","","90","","992.6","0.9","273","2","273","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0608","0.0501","","","0.1275","0.1361","","","","","","1.254","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337216","7.1561","0.0007","7.1561","0.0007","19.05","0.003","90","","90","","90","","975.5","0.2","105","2","105","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0164","0.0156","","","0.0425","0.0464","","","","","","1.338","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337217","7.1765","0.0018","7.2058","0.0018","19.127","0.005","90","","90","","90","","989.1","0.4","250","2","250","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0483","0.0433","","","0.0837","0.0871","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337218","7.1686","0.0007","7.1686","0.0007","19.062","0.003","90","","90","","90","","979.6","0.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0188","0.0179","","","0.0486","0.0513","","","","","","1.336","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337219","7.2099","0.0018","7.2099","0.0018","19.19","0.007","90","","90","","90","","997.5","0.5","300","2","300","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0597","0.0519","","","0.1249","0.1315","","","","","","1.165","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337220","5.117","0.003","5.117","0.003","19.26","0.012","90","","90","","90","","504.3","0.5","350","2","350","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C0.13 H0.75 Cl0.25 Fe0.06 N0.13 -","- C0.125 H0.9 Cl0.25 Fe0.0625 N0.125 -","- C4 H28.8 Cl8 Fe2 N4 -","32","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0163","0.0163","","","0.0407","0.0407","","","","","","1.328","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337221","7.1798","0.0007","7.1798","0.0007","19.09","0.003","90","","90","","90","","984.1","0.2","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0219","0.0211","","","0.0595","0.0613","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337222","7.1902","0.0014","7.1902","0.0014","19.1","0.005","90","","90","","90","","987.5","0.4","160","2","160","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0351","0.0343","","","0.0837","0.0843","","","","","","1.522","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337223","7.198","0.004","7.198","0.004","19.144","0.01","90","","90","","90","","991.9","0.9","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0364","0.0345","","","0.0826","0.0839","","","","","","1.408","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337224","7.198","0.002","7.198","0.002","19.148","0.008","90","","90","","90","","992.1","0.6","250","2","250","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C0.5 H3 Cl Fe0.25 N0.5 -","- C4 H24 Cl8 Fe2 N4 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0571","0.0533","","","0.1085","0.1112","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337225","7.1809","0.0015","7.1809","0.0015","19.083","0.006","90","","90","","90","","984","0.4","130","2","130","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0318","0.031","","","0.0718","0.0726","","","","","","1.475","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337226","7.169","0.002","7.169","0.002","19.064","0.006","90","","90","","90","","979.8","0.5","105","2","105","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0283","0.0275","","","0.0633","0.0642","","","","","","1.458","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337227","7.164","0.002","7.164","0.002","19.045","0.007","90","","90","","90","","977.4","0.5","130","2","130","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C4 H24 Cl8 Fe2 N4 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0241","0.0226","","","0.0563","0.0582","","","","","","1.453","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337228","7.1764","0.0015","7.2095","0.0015","19.128","0.004","90","","90","","90","","989.6","0.4","253","2","253","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0503","0.0394","","","0.0761","0.0814","","","","","","1.172","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337229","5.113","0.0014","5.113","0.0014","19.278","0.005","90","","90","","90","","504","0.2","340","2","340","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C0.13 H0.75 Cl0.25 Fe0.06 N0.13 -","- C0.125 H0.9 Cl0.25 Fe0.0625 N0.125 -","- C4 H28.8 Cl8 Fe2 N4 -","32","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0154","0.0149","","","0.0422","0.0424","","","","","","1.228","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337230","7.199","0.002","7.199","0.002","19.169","0.006","90","","90","","90","","993.4","0.5","310","2","310","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C4 H24 Cl8 Fe2 N4 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0459","0.0301","","","0.0625","0.0695","","","","","","1.134","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337231","7.1804","0.0016","7.1804","0.0016","19.085","0.004","90","","90","","90","","984","0.4","193","2","193","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C H6 Cl2 Fe0.5 N -","- C H6 Cl2 Fe0.5 N -","- C8 H48 Cl16 Fe4 N8 -","8","1","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","On the Nature of the Structural and Magnetic Phase Transitions in the Layered Perovskite-Like (CH3NH3)2[Fe(II)Cl4].","Inorganic chemistry","2014","53","4","2068","2075","10.1021/ic402535u","","","0.71073","MoKα","","0.0271","0.0261","","","0.0911","0.0935","","","","","","1.342","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337232","13.968","0.0004","15.6454","0.0005","18.3497","0.0005","77.105","0.001","69.968","0.001","66.628","0.001","3440.57","0.18","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- Cl H112 Mn4 Na13 O151 Se6 W24 -","- Cl Mn4 Na13 O151 Se6 W24 -","- Cl Mn4 Na13 O151 Se6 W24 -","1","0.5","","Kalinina, Irina V.; Peresypkina, Eugenia V.; Izarova, Natalya V.; Nkala, Fiona M.; Kortz, Ulrich; Kompankov, Nikolay B.; Moroz, Nikolay K.; Sokolov, Maxim N.","Cyclic Tungstoselenites Based on {Se2W12} Units.","Inorganic chemistry","2014","53","4","2076","2082","10.1021/ic402668v","","","0.71073","MoKα","","0.0872","0.0469","","","0.08","0.0915","","","","","","1.003","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337233","14.1423","0.0002","22.4551","0.0003","35.5982","0.0004","88.138","0.001","79.171","0.001","75.052","0.001","10726.2","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- H60.75 K2 Na22 O201.75 Se6 W39 -","- K2.015 Na22.03 O201.75 Se6 W39 -","- K4.03 Na44.06 O403.5 Se12 W78 -","2","1","","Kalinina, Irina V.; Peresypkina, Eugenia V.; Izarova, Natalya V.; Nkala, Fiona M.; Kortz, Ulrich; Kompankov, Nikolay B.; Moroz, Nikolay K.; Sokolov, Maxim N.","Cyclic Tungstoselenites Based on {Se2W12} Units.","Inorganic chemistry","2014","53","4","2076","2082","10.1021/ic402668v","","","0.71073","MoKα","","0.0848","0.0373","","","0.0684","0.0724","","","","","","0.774","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337234","15.0673","0.0004","5.2744","0.0002","17.5437","0.0005","90","","108.902","0.001","90","","1319.03","0.07","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O12 Pt S2 -","- C22 H30 N2 O12 Pt S2 -","- C44 H60 N4 O24 Pt2 S4 -","2","1","","Kitani, Naoki; Kuwamura, Naoto; Tsuji, Takaaki; Tsuge, Kiyoshi; Konno, Takumi","Water-Molecule-Driven Vapochromic Behavior of a Mononuclear Platinum(II) System with Mixed Bipyridine and Thioglucose.","Inorganic chemistry","2014","53","4","1949","1951","10.1021/ic402887f","","","0.71075","MoKα","","0.0509","0.0375","","","0.0689","0.0821","","","","","","1.084","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337235","11.3655","0.0006","6.6148","0.0003","19.1243","0.0008","90","","94.696","0.001","90","","1432.95","0.12","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H34 N2 O13 Pt S2 -","- C24 H34 N2 O13 Pt S2 -","- C48 H68 N4 O26 Pt2 S4 -","2","1","","Kitani, Naoki; Kuwamura, Naoto; Tsuji, Takaaki; Tsuge, Kiyoshi; Konno, Takumi","Water-Molecule-Driven Vapochromic Behavior of a Mononuclear Platinum(II) System with Mixed Bipyridine and Thioglucose.","Inorganic chemistry","2014","53","4","1949","1951","10.1021/ic402887f","","","0.71075","MoKα","","0.0365","0.0318","","","0.0625","0.0667","","","","","","1.076","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337236","11.2673","0.0005","12.2807","0.0005","13.3887","0.0004","111.889","0.003","94.522","0.003","104.051","0.003","1637.83","0.12","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H98 N8 Ni O12 S4 -","- C54 H98 N8 Ni O12 S4 -","- C54 H98 N8 Ni O12 S4 -","1","0.5","","Sung, Simon; Holmes, Holly; Wainwright, Luke; Toscani, Anita; Stasiuk, Graeme J.; White, Andrew J. P.; Bell, Jimmy D.; Wilton-Ely, James D E T","Multimetallic Complexes and Functionalized Gold Nanoparticles Based on a Combination of d- and f-Elements.","Inorganic chemistry","2014","53","4","1989","2005","10.1021/ic401936w","","","0.71073","MoKα","","0.0687","0.0465","","","0.1224","0.1323","","","","","","1.113","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337237","4.0665","0.0008","19.859","0.004","11.873","0.002","90","","90","","90","","958.8","0.3","153","2","153","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- Ba Ce S6 Sn2 -","- Ba Ce S6 Sn2 -","- Ba4 Ce4 S24 Sn8 -","4","1","","Feng, Kai; Zhang, Xu; Yin, Wenlong; Shi, Youguo; Yao, Jiyong; Wu, Yicheng","New Quaternary Rare-Earth Chalcogenides BaLnSn2Q6 (Ln = Ce, Pr, Nd, Q = S; Ln = Ce, Q = Se): Synthesis, Structure, and Magnetic Properties.","Inorganic chemistry","2014","53","4","2248","2253","10.1021/ic402934m","","","0.71073","MoKα","","0.0455","0.0424","","","0.0933","0.095","","","","","","1.072","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337238","4.0478","0.0002","19.8914","0.0007","11.9303","0.0005","90","","90","","90","","960.58","0.07","293","2","293","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- Ba Pr S6 Sn2 -","- Ba Pr S6 Sn2 -","- Ba4 Pr4 S24 Sn8 -","4","1","","Feng, Kai; Zhang, Xu; Yin, Wenlong; Shi, Youguo; Yao, Jiyong; Wu, Yicheng","New Quaternary Rare-Earth Chalcogenides BaLnSn2Q6 (Ln = Ce, Pr, Nd, Q = S; Ln = Ce, Q = Se): Synthesis, Structure, and Magnetic Properties.","Inorganic chemistry","2014","53","4","2248","2253","10.1021/ic402934m","","","0.71073","MoKα","","0.0628","0.0563","","","0.1373","0.1448","","","","","","1.108","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337239","4.0098","0.0008","19.761","0.004","11.841","0.002","90","","90","","90","","938.3","0.3","153","2","153","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- Ba Nd S6 Sn2 -","- Ba Nd S6 Sn2 -","- Ba4 Nd4 S24 Sn8 -","4","1","","Feng, Kai; Zhang, Xu; Yin, Wenlong; Shi, Youguo; Yao, Jiyong; Wu, Yicheng","New Quaternary Rare-Earth Chalcogenides BaLnSn2Q6 (Ln = Ce, Pr, Nd, Q = S; Ln = Ce, Q = Se): Synthesis, Structure, and Magnetic Properties.","Inorganic chemistry","2014","53","4","2248","2253","10.1021/ic402934m","","","0.71073","MoKα","","0.0284","0.028","","","0.0656","0.0659","","","","","","1.057","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337240","4.1908","0.0008","20.749","0.004","12.406","0.003","90","","90","","90","","1078.8","0.4","153","2","153","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- Ba Ce Se6 Sn2 -","- Ba Ce Se6 Sn2 -","- Ba4 Ce4 Se24 Sn8 -","4","1","","Feng, Kai; Zhang, Xu; Yin, Wenlong; Shi, Youguo; Yao, Jiyong; Wu, Yicheng","New Quaternary Rare-Earth Chalcogenides BaLnSn2Q6 (Ln = Ce, Pr, Nd, Q = S; Ln = Ce, Q = Se): Synthesis, Structure, and Magnetic Properties.","Inorganic chemistry","2014","53","4","2248","2253","10.1021/ic402934m","","","0.71073","MoKα","","0.052","0.0471","","","0.1005","0.1039","","","","","","1.044","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337241","19.4","0.003","14.171","0.002","30.796","0.004","90","","94.807","0.003","90","","8437","2","100","2","100","2","","","","","","","thf, pentane","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Mn N6 -","- C36 H36 Mn N6 -","- C288 H288 Mn8 N48 -","8","2","","Wang, Mei; England, Jason; Weyhermüller, Thomas; Wieghardt, Karl","Molecular and Electronic Structures of the Members of the Electron Transfer Series [Mn(bpy)3](n) (n = 2+, 1+, 0, 1-) and [Mn(tpy)2](m) (m = 4+, 3+, 2+, 1+, 0). An Experimental and Density Functional Theory Study.","Inorganic chemistry","2014","53","4","2276","2287","10.1021/ic4029854","","","0.71073","MoKα","","0.1091","0.0693","","","0.1594","0.1767","","","","","","1.038","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337242","12.841","0.003","17.827","0.004","18.182","0.004","90","","90","","90","","4162.2","1.6","100","2","100","2","","","","","","","tetrahydrofuran","6","P b c n","-P 2n 2ab","60","","","","- C46 H56 Li Mn N6 O4 -","- C46 H56 Li Mn N6 O4 -","- C184 H224 Li4 Mn4 N24 O16 -","4","0.5","","Wang, Mei; England, Jason; Weyhermüller, Thomas; Wieghardt, Karl","Molecular and Electronic Structures of the Members of the Electron Transfer Series [Mn(bpy)3](n) (n = 2+, 1+, 0, 1-) and [Mn(tpy)2](m) (m = 4+, 3+, 2+, 1+, 0). An Experimental and Density Functional Theory Study.","Inorganic chemistry","2014","53","4","2276","2287","10.1021/ic4029854","","","0.71073","MoKα","","0.0662","0.0409","","","0.0906","0.1027","","","","","","1.028","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337243","16.321","0.004","18.167","0.004","18.187","0.004","90","","95.479","0.004","90","","5368","2","100","2","100","2","","","","","","","tetrahydrofuran, pentane","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Mn N6 -","- C30 H22 Mn N6 -","- C240 H176 Mn8 N48 -","8","2","","Wang, Mei; England, Jason; Weyhermüller, Thomas; Wieghardt, Karl","Molecular and Electronic Structures of the Members of the Electron Transfer Series [Mn(bpy)3](n) (n = 2+, 1+, 0, 1-) and [Mn(tpy)2](m) (m = 4+, 3+, 2+, 1+, 0). An Experimental and Density Functional Theory Study.","Inorganic chemistry","2014","53","4","2276","2287","10.1021/ic4029854","","","0.71073","MoKα","","0.0851","0.0427","","","0.0905","0.11","","","","","","1.021","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337244","17.6854","0.0007","34.4361","0.0014","29.1894","0.0012","90","","92.457","0.001","90","","17760.5","1.2","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C156 H144 Au18 Cl2 P12 S8 -","- C156 H144 Au18 P12 S8 -","- C624 H576 Au72 P48 S32 -","4","1","","Keter, Frankline K.; Guzei, Ilia A.; Nell, Margo; Zyl, Werner E van; Darkwa, James","Phosphinogold(I) dithiocarbamate complexes: effect of the nature of phosphine ligand on anticancer properties.","Inorganic chemistry","2014","53","4","2058","2067","10.1021/ic4025926","","","0.71073","Mo-Kα","","0.0677","0.0473","","","0.1258","0.1347","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337245","13.499","0.011","11.56","0.019","15.396","0.015","90","","108.6","0.06","90","","2277","5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 Au2 N4 P2 S4 -","- C46 H42 Au2 N4 P2 S4 -","- C92 H84 Au4 N8 P4 S8 -","2","0.5","","Keter, Frankline K.; Guzei, Ilia A.; Nell, Margo; Zyl, Werner E van; Darkwa, James","Phosphinogold(I) dithiocarbamate complexes: effect of the nature of phosphine ligand on anticancer properties.","Inorganic chemistry","2014","53","4","2058","2067","10.1021/ic4025926","","","0.7749","synchrotron","","0.0566","0.0404","","","0.0984","0.1071","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337246","9.1382","0.0012","22.487","0.003","11.376","0.0014","90","","91.541","0.002","90","","2336.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Au N2 P S2 -","- C26 H20 Au N2 P S2 -","- C104 H80 Au4 N8 P4 S8 -","4","1","","Keter, Frankline K.; Guzei, Ilia A.; Nell, Margo; Zyl, Werner E van; Darkwa, James","Phosphinogold(I) dithiocarbamate complexes: effect of the nature of phosphine ligand on anticancer properties.","Inorganic chemistry","2014","53","4","2058","2067","10.1021/ic4025926","","","0.71073","Mo-Kα","","0.0216","0.021","","","0.0542","0.0544","","","","","","1.188","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337247","8.1342","0.0008","12.5836","0.0013","12.8618","0.0013","117.169","0.005","101.227","0.005","97.439","0.005","1112.3","0.2","190","","190","","","","","","","","","5","P -1","-P 1","2","fac-[ReI(CO)3(10)]","fac-triscarbonyl(2-(((3-phenylisoxazol-5-yl)methyl)(pyridin-2-ylmethyl)amino)acetate)rhenium(I)","","- C22 H20 N3 O7 Re -","- C22 H20 N3 O7 Re -","- C44 H40 N6 O14 Re2 -","2","1","","Bottorff, Shalina C.; Kasten, Benjamin B.; Stojakovic, Jelena; Moore, Adam L.; Macgillivray, Leonard R.; Benny, Paul D.","Cu-Free 1,3-Dipolar Cycloaddition Click Reactions To Form Isoxazole Linkers in Chelating Ligands for fac-[M(I)(CO)3](+) Centers (M = Re, (99m)Tc).","Inorganic chemistry","2014","53","4","1943","1945","10.1021/ic402825t","","","0.71073","MoKα","","0.044","0.0326","","","0.066","0.0713","","","","","","1.051","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337248","17.952","0.007","19.56","0.007","17.598","0.007","90","","90","","90","","6179","4","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(H2TMhpp)2[W2(¦Ì-O)2(¦Ì-TMhpp)2Cl4]","","","- C46 H88 Cl8 N12 O2 W2 -","- C46 H88 Cl8 N12 O2 W2 -","- C184 H352 Cl32 N48 O8 W8 -","4","0.5","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Zhao, Qinliang","A Strong Metal-to-Metal Interaction in an Edge-Sharing Bioctahedral Compound that Leads to a Very Short Tungsten-Tungsten Double Bond.","Inorganic chemistry","2014","53","4","2288","2295","10.1021/ic402992n","","","0.71073","MoKα","","0.1077","0.0473","","","0.1088","0.1321","","","","","","1.193","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337249","14.614","0.003","20.523","0.004","16.71","0.003","90","","107.77","0.03","90","","4772.6","1.8","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H76 Cl2 Fe Li N3 O5 Si6 -","- C29 H76 Cl2 Fe Li N3 O5 Si6 -","- C116 H304 Cl8 Fe4 Li4 N12 O20 Si24 -","4","1","","Eichhöfer, Andreas; Lan, Yanhua; Mereacre, Valeriu; Bodenstein, Tilmann; Weigend, Florian","Slow Magnetic Relaxation in Trigonal-Planar Mononuclear Fe(II) and Co(II) Bis(trimethylsilyl)amido Complexes-A Comparative Study.","Inorganic chemistry","2014","53","4","1962","1974","10.1021/ic401677j","","","0.71073","MoKα","","0.0611","0.0461","","","0.1206","0.1279","","","","","","1.054","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337250","14.614","0.003","20.494","0.004","16.727","0.003","90","","108.03","0.03","90","","4763.7","1.8","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58 H152 Cl4 Co2 Li2 N6 O10 Si12 -","- C58 H152 Cl3.98 Co2 Li2 N6 O10 Si12 -","- C116 H304 Cl7.96 Co4 Li4 N12 O20 Si24 -","2","0.5","","Eichhöfer, Andreas; Lan, Yanhua; Mereacre, Valeriu; Bodenstein, Tilmann; Weigend, Florian","Slow Magnetic Relaxation in Trigonal-Planar Mononuclear Fe(II) and Co(II) Bis(trimethylsilyl)amido Complexes-A Comparative Study.","Inorganic chemistry","2014","53","4","1962","1974","10.1021/ic401677j","","","0.71073","MoKα","","0.072","0.047","","","0.1207","0.1304","","","","","","1.01","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337251","13.609","0.003","11.165","0.002","17.819","0.004","90","","90","","90","","2707.5","1","180","2","180","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H44 Co N2 O Si4 -","- C16 H44 Co N2 O Si4 -","- C64 H176 Co4 N8 O4 Si16 -","4","0.5","","Eichhöfer, Andreas; Lan, Yanhua; Mereacre, Valeriu; Bodenstein, Tilmann; Weigend, Florian","Slow Magnetic Relaxation in Trigonal-Planar Mononuclear Fe(II) and Co(II) Bis(trimethylsilyl)amido Complexes-A Comparative Study.","Inorganic chemistry","2014","53","4","1962","1974","10.1021/ic401677j","","","0.71073","MoKα","","0.0551","0.0376","","","0.0996","0.1086","","","","","","1.019","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337252","17.254","0.004","11.781","0.002","20.81","0.004","90","","111.33","0.03","90","","3940.3","1.6","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H69 Co N2 P Si4 -","- C30 H69 Co N2 P Si4 -","- C120 H276 Co4 N8 P4 Si16 -","4","1","","Eichhöfer, Andreas; Lan, Yanhua; Mereacre, Valeriu; Bodenstein, Tilmann; Weigend, Florian","Slow Magnetic Relaxation in Trigonal-Planar Mononuclear Fe(II) and Co(II) Bis(trimethylsilyl)amido Complexes-A Comparative Study.","Inorganic chemistry","2014","53","4","1962","1974","10.1021/ic401677j","","","0.71073","MoKα","","0.0518","0.0421","","","0.1144","0.1183","","","","","","1.021","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337253","10.3203","0.001","42.774","0.004","11.9508","0.0012","90","","102.136","0.002","90","","5157.7","0.9","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C41.5 H43 Cl3 Fe2 N16 O14.5 -","- C41.499 H36 Cl3 Fe2 N16 O14.499 -","- C165.996 H144 Cl12 Fe8 N64 O57.996 -","4","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-O(H)-M Bridges [M = Fe(II), Co(II), Ni(II), Cu(II)]: Effects of Large Bridging Angles on Structure and Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2014","53","4","1975","1988","10.1021/ic4017905","","","0.71073","MoKα","","0.1086","0.0529","","","0.1176","0.1325","","","","","","0.885","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337254","14.2961","0.0011","16.9353","0.0013","22.027","0.0017","97.085","0.002","102.73","0.002","94.027","0.002","5135.9","0.7","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Cl3 Co2 N17 O13 -","- C42 H39 Cl3 Co2 N17 O13 -","- C168 H156 Cl12 Co8 N68 O52 -","4","2","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-O(H)-M Bridges [M = Fe(II), Co(II), Ni(II), Cu(II)]: Effects of Large Bridging Angles on Structure and Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2014","53","4","1975","1988","10.1021/ic4017905","","","0.71073","MoKα","","0.0994","0.0538","","","0.1213","0.1372","","","","","","0.932","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337255","11.6805","0.0005","14.072","0.0006","15.4802","0.0006","93.721","0.001","103.333","0.001","101.286","0.001","2411.79","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H41 Cl3 Cu2 N16 O15 -","- C40 H41 Cl3 Cu2 N16 O15 -","- C80 H82 Cl6 Cu4 N32 O30 -","2","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-O(H)-M Bridges [M = Fe(II), Co(II), Ni(II), Cu(II)]: Effects of Large Bridging Angles on Structure and Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2014","53","4","1975","1988","10.1021/ic4017905","","","0.71073","MoKα","","0.0502","0.0411","","","0.1043","0.1102","","","","","","1.046","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337256","10.6154","0.0004","42.3862","0.0016","11.5326","0.0004","90","","101.648","0.001","90","","5082.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43 H41.5 Cl3 Cu2 N17.5 O13 -","- C43 H41.5 Cl3 Cu2 N17.5 O13 -","- C172 H166 Cl12 Cu8 N70 O52 -","4","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-O(H)-M Bridges [M = Fe(II), Co(II), Ni(II), Cu(II)]: Effects of Large Bridging Angles on Structure and Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2014","53","4","1975","1988","10.1021/ic4017905","","","0.71073","MoKα","","0.0862","0.0489","","","0.0931","0.1031","","","","","","0.894","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337257","11.3744","0.0007","12.8037","0.0008","13.332","0.0008","116.545","0.001","99.203","0.001","105.9","0.001","1577.94","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H69 Cl3 Co2 N16 O13 -","- C56 H69 Cl3 Co2 N16 O13 -","- C56 H69 Cl3 Co2 N16 O13 -","1","0.5","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-O(H)-M Bridges [M = Fe(II), Co(II), Ni(II), Cu(II)]: Effects of Large Bridging Angles on Structure and Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2014","53","4","1975","1988","10.1021/ic4017905","","","0.71073","MoKα","","0.0594","0.0508","","","0.144","0.1517","","","","","","1.038","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337258","12.6577","0.001","13.6991","0.0011","18.718","0.0014","92.443","0.001","99.717","0.002","106.747","0.001","3049.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H69 Cl3 Co2 N16 O13 -","- C56 H68 Cl3 Co2 N16 O13 -","- C112 H136 Cl6 Co4 N32 O26 -","2","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-O(H)-M Bridges [M = Fe(II), Co(II), Ni(II), Cu(II)]: Effects of Large Bridging Angles on Structure and Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2014","53","4","1975","1988","10.1021/ic4017905","","","0.71073","MoKα","","0.0602","0.0531","","","0.1465","0.1535","","","","","","1.045","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337259","11.395","0.006","12.762","0.006","13.222","0.006","116.338","0.008","99.724","0.009","105.896","0.009","1560.4","1.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H69 Cl3 N16 Ni2 O13 -","- C56 H69 Cl3 N16 Ni2 O13 -","- C56 H69 Cl3 N16 Ni2 O13 -","1","0.5","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-O(H)-M Bridges [M = Fe(II), Co(II), Ni(II), Cu(II)]: Effects of Large Bridging Angles on Structure and Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2014","53","4","1975","1988","10.1021/ic4017905","","","0.71073","MoKα","","0.0534","0.048","","","0.1382","0.1434","","","","","","1.026","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337260","14.7236","0.0007","13.66","0.0007","15.8038","0.0008","90","","95.017","0.001","90","","3166.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H73 Cl3 Cu2 N16 O15 -","- C56 H69 Cl3 Cu2 N16 O15 -","- C112 H138 Cl6 Cu4 N32 O30 -","2","0.5","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-O(H)-M Bridges [M = Fe(II), Co(II), Ni(II), Cu(II)]: Effects of Large Bridging Angles on Structure and Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2014","53","4","1975","1988","10.1021/ic4017905","","","0.71073","MoKα","","0.0444","0.0385","","","0.101","0.1057","","","","","","1.03","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337261","24.236","0.003","9.5662","0.0008","24.599","0.003","90","","112.342","0.003","90","","5275.1","1","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 As F6 Fe N6 O2 -","- C24 H26 As F6 Fe N6 O2 -","- C192 H208 As8 F48 Fe8 N48 O16 -","8","1","","Fujinami, Takeshi; Koike, Masataka; Matsumoto, Naohide; Sunatsuki, Yukinari; Okazawa, Atsushi; Kojima, Norimichi","Abrupt Spin Transition with Thermal Hysteresis of Iron(III) Complex [Fe(III)(Him)2(hapen)]AsF6 (Him = Imidazole, H2hapen = N,N'-Bis(2-hydroxyacetophenylidene)ethylenediamine).","Inorganic chemistry","2014","53","4","2254","2259","10.1021/ic402947u","","","0.71075","MoKα","","","0.0796","","","","0.2453","","","","","","1.001","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337262","14.0927","0.0009","14.7542","0.0009","15.633","0.0009","65.723","0.001","84.227","0.001","76.221","0.001","2877.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H120 Ag8 F7 O2 P7 S12 -","- C102 H120 Ag8 F7 O2 P7 S12 -","- C102 H120 Ag8 F7 O2 P7 S12 -","1","0.5","","Liao, Jian-Hong; Latouche, Camille; Li, Bing; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","A twelve-coordinated iodide in a cuboctahedral silver(i) skeleton.","Inorganic chemistry","2014","53","4","2260","2267","10.1021/ic402960e","","","0.71073","MoKα","","0.0345","0.0296","","","0.086","0.0894","","","","","","1.037","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337263","14.0917","0.0008","14.7983","0.0009","15.6099","0.0009","65.548","0.001","84.308","0.001","76.107","0.001","2876.5","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H120 Ag8 Cl F6 O2 P7 S12 -","- C102 H120 Ag8 Cl F6 O2 P7 S12 -","- C102 H120 Ag8 Cl F6 O2 P7 S12 -","1","0.5","","Liao, Jian-Hong; Latouche, Camille; Li, Bing; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","A twelve-coordinated iodide in a cuboctahedral silver(i) skeleton.","Inorganic chemistry","2014","53","4","2260","2267","10.1021/ic402960e","","","0.71073","MoKα","","0.0563","0.0406","","","0.085","0.0946","","","","","","1.056","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337264","12.7022","0.0018","15.623","0.002","15.907","0.002","64.959","0.002","86.766","0.003","79.957","0.003","2815.6","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H108 Ag8 Br F6 P7 S12 -","- C96 H108 Ag8 Br F6 P7 S12 -","- C96 H108 Ag8 Br F6 P7 S12 -","1","0.5","","Liao, Jian-Hong; Latouche, Camille; Li, Bing; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","A twelve-coordinated iodide in a cuboctahedral silver(i) skeleton.","Inorganic chemistry","2014","53","4","2260","2267","10.1021/ic402960e","","","0.71073","MoKα","","0.1167","0.0957","","","0.2189","0.237","","","","","","1.048","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337265","18.2949","0.0007","18.2949","0.0007","18.2949","0.0007","90","","90","","90","","6123.4","0.4","296","2","296","2","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C96 H108 Ag12 I6 P6 S12 -","- C96 H108 Ag12 I6 P6 S12 -","- C192 H216 Ag24 I12 P12 S24 -","2","0.0416667","","Liao, Jian-Hong; Latouche, Camille; Li, Bing; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","A twelve-coordinated iodide in a cuboctahedral silver(i) skeleton.","Inorganic chemistry","2014","53","4","2260","2267","10.1021/ic402960e","","","0.71073","MoKα","","0.0844","0.0683","","","0.208","0.2501","","","","","","1.112","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337266","17.186","0.002","33.138","0.004","23.42","0.003","90","","106.093","0.002","90","","12815","3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C168 H134 As4 N28 Ni5 O130 W36 -","- C168 H116 As4 N28 Ni5 O132 W36 -","- C336 H232 As8 N56 Ni10 O264 W72 -","2","0.5","","Han, Qiuxia; Sun, Xueping; Li, Jie; Ma, Pengtao; Niu, Jingyang","Beat over the Old Ground with New Strategy: Engineering As···As Interaction in Arsenite-Based Dawson Cluster β-[W18O54(AsO3)2](6-).","Inorganic chemistry","2014","53","4","2006","2011","10.1021/ic402179u","","","0.71073","MoKα","","0.1243","0.0711","","","0.1835","0.2053","","","","","","1.013","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337267","14.8066","0.0003","11.6969","0.0002","20.849","0.0005","90","","104.966","0.002","90","","3488.38","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis(di(2-pyridyl)amine-N,N')-bis(μ~2~-tolfenamato-O,O')-bis(tolfenamato-O,O')-di-manganese(II)","bis(di(2-pyridyl)amine-N,N')-bis(μ~2~-2-[(3-chloro-2-methylphenyl)amino]benzoato-O,O')-bis(2-[(3-chloro-2-methylphenyl)amino]benzoato-O,O')-di-manganese(II)","","- C76 H62 Cl4 Mn2 N10 O8 -","- C76 H62 Cl4 Mn2 N10 O8 -","- C152 H124 Cl8 Mn4 N20 O16 -","2","0.5","","Zampakou, Marianthi; Rizeq, Natalia; Tangoulis, Vassilis; Papadopoulos, Athanasios N.; Perdih, Franc; Turel, Iztok; Psomas, George","Manganese(II) Complexes with the Non-steroidal Anti-Inflammatory Drug Tolfenamic Acid: Structure and Biological Perspectives.","Inorganic chemistry","2014","53","4","2040","2052","10.1021/ic4025487","","","0.71073","MoKα","","0.0798","0.0545","","","0.1353","0.1555","","","","","","1.03","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337268","12.8789","0.0003","33.6065","0.0007","19.2735","0.0004","90","","96.066","0.002","90","","8295.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(μ~2~-aqua)-bis(μ~2~-tolfenamato-O,O')-bis(tolfenamato-O)-tetrapyridine-dimanganese(II)‒methanol‒pyridine (1/1.5/1)","(μ~2~aqua)-bis(μ~2~-2-[(3-chloro-2-methylphenyl)amino]benzoato-O,O')-bis(-2-[(3-chloro-2-methylphenyl)amino]benzoato-O)-tetrapyridine-dimanganese(II)‒methanol‒pyridine (1/1.5/1)","","- C167 H154 Cl8 Mn4 N16 O21 -","- C167 H154 Cl8 Mn4 N16 O21 -","- C334 H308 Cl16 Mn8 N32 O42 -","2","0.5","","Zampakou, Marianthi; Rizeq, Natalia; Tangoulis, Vassilis; Papadopoulos, Athanasios N.; Perdih, Franc; Turel, Iztok; Psomas, George","Manganese(II) Complexes with the Non-steroidal Anti-Inflammatory Drug Tolfenamic Acid: Structure and Biological Perspectives.","Inorganic chemistry","2014","53","4","2040","2052","10.1021/ic4025487","","","0.71073","MoKα","","0.1619","0.0741","","","0.177","0.2244","","","","","","0.962","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337269","17.5013","0.0003","8.3208","0.0002","23.4388","0.0004","90","","94.54","0.002","90","","3402.56","0.12","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","catena-bis(dimethylformamide-O)-bis(μ~2~tolfenamato-O,O')-manganese(II)","catena-bis(dimethylformamide-O)-bis(μ~2~-2-[(3-chloro-2-methylphenyl)amino]benzoato-O,O')-manganese(II)","","- C34 H36 Cl2 Mn N4 O6 -","- C34 H36 Cl2 Mn N4 O6 -","- C136 H144 Cl8 Mn4 N16 O24 -","4","1","","Zampakou, Marianthi; Rizeq, Natalia; Tangoulis, Vassilis; Papadopoulos, Athanasios N.; Perdih, Franc; Turel, Iztok; Psomas, George","Manganese(II) Complexes with the Non-steroidal Anti-Inflammatory Drug Tolfenamic Acid: Structure and Biological Perspectives.","Inorganic chemistry","2014","53","4","2040","2052","10.1021/ic4025487","","","0.71073","MoKα","","0.055","0.0381","","","0.0807","0.0869","","","","","","1.034","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337270","9.5991","0.0004","12.1813","0.0004","15.7068","0.0006","96.858","0.003","96.597","0.003","97.584","0.003","1791.5","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","aqua-(1,10-phenanthroline-N,N')-(tolfenamato-O,O')-(tolfenamato-O)-manganese(II)","aqua-(1,10-phenanthroline-N,N')-(2-[(3-chloro-2-methylphenyl)amino]benzoato- O,O')-(2-[(3-chloro-2-methylphenyl)amino]benzoato-O)-manganese(II)","","- C40 H32 Cl2 Mn N4 O5 -","- C40 H32 Cl2 Mn N4 O5 -","- C80 H64 Cl4 Mn2 N8 O10 -","2","1","","Zampakou, Marianthi; Rizeq, Natalia; Tangoulis, Vassilis; Papadopoulos, Athanasios N.; Perdih, Franc; Turel, Iztok; Psomas, George","Manganese(II) Complexes with the Non-steroidal Anti-Inflammatory Drug Tolfenamic Acid: Structure and Biological Perspectives.","Inorganic chemistry","2014","53","4","2040","2052","10.1021/ic4025487","","","0.71073","MoKα","","0.0968","0.0487","","","0.0842","0.0978","","","","","","0.943","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337271","11.7591","0.0003","14.9848","0.0003","19.0708","0.0004","108.135","0.001","99.899","0.001","105.668","0.001","2952.07","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C49.75 H46 Gd2 N12 O10.75 S3 -","- C49.75 H46 Gd2 N9 O10.75 S3 -","- C99.5 H92 Gd4 N18 O21.5 S6 -","2","1","","Hutchings, Amy-Jayne; Habib, Fatemah; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Structural rearrangement through lanthanide contraction in dinuclear complexes.","Inorganic chemistry","2014","53","4","2102","2112","10.1021/ic402682r","","","0.71073","MoKα","","0.0427","0.0341","","","0.097","0.1057","","","","","","1.018","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337272","11.6516","0.0003","14.9787","0.0003","18.9061","0.0006","108.702","0.002","100.444","0.002","104.145","0.001","2907.02","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H57 Dy2 N9 O12 S3 -","- C54 H57 Dy2 N9 O12 S3 -","- C108 H114 Dy4 N18 O24 S6 -","2","1","","Hutchings, Amy-Jayne; Habib, Fatemah; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Structural rearrangement through lanthanide contraction in dinuclear complexes.","Inorganic chemistry","2014","53","4","2102","2112","10.1021/ic402682r","","","0.71073","MoKα","","0.0792","0.0423","","","0.0787","0.0914","","","","","","1.005","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337273","11.7069","0.0002","14.9767","0.0003","18.9807","0.0004","108.372","0.001","99.923","0.001","105.442","0.001","2922.39","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C50.5 H41.5 Ho2 N9.5 O9 S3 -","- C50.5 H41.5 Ho2 N9.5 O9 S3 -","- C101 H83 Ho4 N19 O18 S6 -","2","1","","Hutchings, Amy-Jayne; Habib, Fatemah; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Structural rearrangement through lanthanide contraction in dinuclear complexes.","Inorganic chemistry","2014","53","4","2102","2112","10.1021/ic402682r","","","0.71073","MoKα","","0.0462","0.0332","","","0.0896","0.0988","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337274","11.6015","0.0003","15.0634","0.0003","19.1116","0.0004","107.901","0.001","99.799","0.001","105.95","0.001","2935.11","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.75 H44 Eu2 N9 O10.75 S3 -","- C48.75 H44 Eu2 N9 O10.75 S3 -","- C97.5 H88 Eu4 N18 O21.5 S6 -","2","1","","Hutchings, Amy-Jayne; Habib, Fatemah; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Structural rearrangement through lanthanide contraction in dinuclear complexes.","Inorganic chemistry","2014","53","4","2102","2112","10.1021/ic402682r","","","0.71073","MoKα","","0.0425","0.033","","","0.0935","0.0998","","","","","","1.033","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337275","11.7308","0.0005","15.0179","0.0006","19.0123","0.0007","108.212","0.002","100.009","0.001","105.431","0.001","2943.7","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C49.25 H46 N9 O11.25 S3 Tb2 -","- C49.25 H46 N9 O11.25 S3 Tb2 -","- C98.5 H92 N18 O22.5 S6 Tb4 -","2","1","","Hutchings, Amy-Jayne; Habib, Fatemah; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Structural rearrangement through lanthanide contraction in dinuclear complexes.","Inorganic chemistry","2014","53","4","2102","2112","10.1021/ic402682r","","","0.71073","MoKα","","0.053","0.0429","","","0.1158","0.1232","","","","","","1.047","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337276","9.7648","0.0002","10.324","0.0002","11.8846","0.0002","97.284","0.001","94.608","0.001","102.89","0.001","1151.16","0.04","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 N4 O5 S2 Yb -","- C19 H21 N4 O5 S2 Yb -","- C38 H42 N8 O10 S4 Yb2 -","2","1","","Hutchings, Amy-Jayne; Habib, Fatemah; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Structural rearrangement through lanthanide contraction in dinuclear complexes.","Inorganic chemistry","2014","53","4","2102","2112","10.1021/ic402682r","","","0.71073","MoKα","","0.0151","0.0143","","","0.0374","0.0379","","","","","","1.032","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337277","11.5128","0.0002","14.9324","0.0003","18.7898","0.0004","106.975","0.001","100.073","0.001","105.875","0.001","2855.44","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.25 H44.5 N9.5 O9.75 S3 Y2 -","- C51.25 H44.5 N9.5 O9.75 S3 Y2 -","- C102.5 H89 N19 O19.5 S6 Y4 -","2","1","","Hutchings, Amy-Jayne; Habib, Fatemah; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee","Structural rearrangement through lanthanide contraction in dinuclear complexes.","Inorganic chemistry","2014","53","4","2102","2112","10.1021/ic402682r","","","0.71073","MoKα","","0.0642","0.045","","","0.133","0.1436","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337278","11.3862","0.0004","19.1051","0.0007","18.6796","0.0007","90","","107.783","0.002","90","","3869.3","0.2","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C20 H24 Cu N3 O4.5 -","- C20 H24 Cu N3 O4.5 -","- C160 H192 Cu8 N24 O36 -","8","4","","Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure","Synthesis, structural characterization, and magnetic properties of a copper-gadolinium complex derived from a hydroxybenzohydrazide ligand.","Inorganic chemistry","2014","53","4","2181","2187","10.1021/ic4027283","","","0.71073","MoKα","","0.0321","0.029","","0.0387","0.0329","0.0319","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337279","16.8827","0.0003","16.8827","0.0003","12.6346","0.0002","90","","90","","90","","3601.18","0.11","100","","100","","","","","","","","","5","P -4","P -4","81","","","","- C60 H48 Cu4 N8 O16 -","- C60 H48 Cu4 N8 O16 -","- C120 H96 Cu8 N16 O32 -","2","0.5","","Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure","Synthesis, structural characterization, and magnetic properties of a copper-gadolinium complex derived from a hydroxybenzohydrazide ligand.","Inorganic chemistry","2014","53","4","2181","2187","10.1021/ic4027283","","","1.5418","CuKα","","0.0783","0.0748","","0.0915","0.0863","0.0853","","","","","","0.9937","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337280","20.873","0.0011","17.923","0.003","26.037","0.0015","90","","112.462","0.005","90","","9001.6","1.7","180","","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H108 Cu2 Gd2 N4 O18 -","- C74 H100 Cu2 Gd2 N4 O18 -","- C296 H400 Cu8 Gd8 N16 O72 -","4","1","","Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure","Synthesis, structural characterization, and magnetic properties of a copper-gadolinium complex derived from a hydroxybenzohydrazide ligand.","Inorganic chemistry","2014","53","4","2181","2187","10.1021/ic4027283","","","0.71073","MoKα","","0.1351","0.0716","","0.1062","0.0795","0.0694","","","","","","1.1365","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337281","25.612","0.005","4.3295","0.0009","6.6549","0.0013","90","","90","","90","","737.9","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- B5 Be2 O11 Y -","- B5 Be2 O11 Y -","- B20 Be8 O44 Y4 -","4","1","","Yan, Xue; Luo, Siyang; Lin, Zheshuai; Yao, Jiyong; He, Ran; Yue, Yinchao; Chen, Chuangtian","ReBe2B5O11 (Re = Y, Gd): Rare-Earth Beryllium Borates as Deep-Ultraviolet Nonlinear-Optical Materials.","Inorganic chemistry","2014","53","4","1952","1954","10.1021/ic4029436","","","0.71073","MoKα","","0.0384","0.0367","","","0.0854","0.0862","","","","","","1.035","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337282","25.784","0.005","4.3454","0.0009","6.6886","0.0013","90","","90","","90","","749.4","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- B5 Be2 Gd O11 -","- B5 Be2 Gd O11 -","- B20 Be8 Gd4 O44 -","4","1","","Yan, Xue; Luo, Siyang; Lin, Zheshuai; Yao, Jiyong; He, Ran; Yue, Yinchao; Chen, Chuangtian","ReBe2B5O11 (Re = Y, Gd): Rare-Earth Beryllium Borates as Deep-Ultraviolet Nonlinear-Optical Materials.","Inorganic chemistry","2014","53","4","1952","1954","10.1021/ic4029436","","","0.71073","MoKα","","0.0241","0.0222","","","0.0434","0.0441","","","","","","1.067","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337283","15.0772","0.0008","17.1629","0.001","17.1699","0.0009","117.767","0.004","102.466","0.004","102.723","0.004","3564.3","0.4","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H51 Ag3 Cu3 F15 N6 O9 S9 -","- C60 H51 Ag3 Cu3 F15 N6 O9 S9 -","- C120 H102 Ag6 Cu6 F30 N12 O18 S18 -","2","1","","Veronelli, Mattia; Kindermann, Nicole; Dechert, Sebastian; Meyer, Steffen; Meyer, Franc","Crowning of coinage metal pyrazolates: double-decker homo- and heteronuclear complexes with synergic emissive properties.","Inorganic chemistry","2014","53","4","2333","2341","10.1021/ic5001792","","","0.71073","MoKα","","0.0695","0.0517","","","0.118","0.1251","","","","","","1.073","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337284","14.9374","0.0005","16.5649","0.0006","18.5377","0.0006","112.851","0.002","101.668","0.003","107.282","0.003","3764","0.3","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H53 Ag6 Cl2 F15 N6 O9 S9 -","- C61 H53 Ag6 Cl2 F15 N6 O9 S9 -","- C122 H106 Ag12 Cl4 F30 N12 O18 S18 -","2","1","","Veronelli, Mattia; Kindermann, Nicole; Dechert, Sebastian; Meyer, Steffen; Meyer, Franc","Crowning of coinage metal pyrazolates: double-decker homo- and heteronuclear complexes with synergic emissive properties.","Inorganic chemistry","2014","53","4","2333","2341","10.1021/ic5001792","","","0.71073","MoKα","","0.0435","0.0308","","","0.0664","0.0697","","","","","","1.013","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4337285","10.1694","0.0006","14.6453","0.0011","25.6313","0.0016","95.254","0.005","96.414","0.005","104.966","0.005","3635.9","0.4","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H63 Ag6 B3 F18 N6 O2 S6 -","- C63 H63 Ag6 B3 F18 N6 O2 S6 -","- C126 H126 Ag12 B6 F36 N12 O4 S12 -","2","1","","Veronelli, Mattia; Kindermann, Nicole; Dechert, Sebastian; Meyer, Steffen; Meyer, Franc","Crowning of coinage metal pyrazolates: double-decker homo- and heteronuclear complexes with synergic emissive properties.","Inorganic chemistry","2014","53","4","2333","2341","10.1021/ic5001792","","","0.71073","MoKα","","0.0748","0.0439","","","0.0816","0.0881","","","","","","1.005","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337286","17.0905","0.0004","17.0905","0.0004","8.0783","0.0002","90","","90","","120","","2043.43","0.08","123","2","123","2","","","","","","","","3","P 3 1 m","P 3 -2","157","Lithium Sodium Germanide","","","- Ge17 Li18 Na2 -","- Ge17 Li18 Na2 -","- Ge51 Li54 Na6 -","3","0.5","","Scherf, Lavinia M.; Zeilinger, Michael; Fässler, Thomas F","Li18Na2Ge17-A Compound Demonstrating Cation Effects on Cluster Shapes and Crystal Packing in Ternary Zintl Phases.","Inorganic chemistry","2014","53","4","2096","2101","10.1021/ic4027046","","","0.71073","MoKα","","0.0212","0.0185","","","0.0412","0.042","","","","","","1.041","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337287","9.9128","0.001","14.657","0.0016","25.946","0.003","93.371","0.004","92.665","0.004","103.775","0.004","3647.9","0.7","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H42 Cl6 N16 O28 Pb3 -","- C37 H42 Cl6 N16 O28 Pb3 -","- C74 H84 Cl12 N32 O56 Pb6 -","2","1","","Hutchinson, Daniel J.; James, Matthew P.; Hanton, Lyall R.; Moratti, Stephen C.","Metal-induced isomerization of a molecular strand containing contradictory dynamic coordination sites.","Inorganic chemistry","2014","53","4","2122","2132","10.1021/ic4027392","","","0.71069","MoKα","","0.0738","0.0513","","","0.1341","0.1427","","","","","","1.105","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337288","22.3152","0.0003","11.64703","0.00016","25.6567","0.0004","90","","103.207","0.0014","90","","6491.97","0.16","100.01","0.13","100.01","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Cl6 N16 O29 Pb3 -","- C36 H42 Cl6 N16 O29 Pb3 -","- C144 H168 Cl24 N64 O116 Pb12 -","4","1","","Hutchinson, Daniel J.; James, Matthew P.; Hanton, Lyall R.; Moratti, Stephen C.","Metal-induced isomerization of a molecular strand containing contradictory dynamic coordination sites.","Inorganic chemistry","2014","53","4","2122","2132","10.1021/ic4027392","","","1.5418","CuKα","","0.0957","0.0933","","","0.2315","0.233","","","","","","1.036","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337289","14.3516","0.0009","15.9545","0.0009","17.4788","0.0011","103.245","0.002","92.541","0.003","102.89","0.002","3778.3","0.4","91","2","91","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H42 F18 N16 O20 Pb3 S6 -","- C43 H42 F18 N16 O20 Pb3 S6 -","- C86 H84 F36 N32 O40 Pb6 S12 -","2","1","","Hutchinson, Daniel J.; James, Matthew P.; Hanton, Lyall R.; Moratti, Stephen C.","Metal-induced isomerization of a molecular strand containing contradictory dynamic coordination sites.","Inorganic chemistry","2014","53","4","2122","2132","10.1021/ic4027392","","","0.71069","MoKα","","0.0747","0.0472","","","0.1222","0.1328","","","","","","1.019","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337290","23.791","0.004","8.4896","0.0016","40.356","0.007","90","","103.753","0.006","90","","7917","2","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H43 F9 N15 O18 S3 Zn3 -","- C38 H43 F9 N15 O18 S3 Zn3 -","- C152 H172 F36 N60 O72 S12 Zn12 -","4","1","","Hutchinson, Daniel J.; James, Matthew P.; Hanton, Lyall R.; Moratti, Stephen C.","Metal-induced isomerization of a molecular strand containing contradictory dynamic coordination sites.","Inorganic chemistry","2014","53","4","2122","2132","10.1021/ic4027392","","","0.71069","MoKα","","0.092","0.0763","","","0.2034","0.2117","","","","","","1.07","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337291","15.906","0.0004","20.1642","0.0006","28.7161","0.0012","90","","98.747","0.003","90","","9103","0.5","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H78 Ag3 F6 N30 O10 S2 -","- C72 H78 Ag3 F6 N30 O10 S2 -","- C288 H312 Ag12 F24 N120 O40 S8 -","4","1","","Hutchinson, Daniel J.; James, Matthew P.; Hanton, Lyall R.; Moratti, Stephen C.","Metal-induced isomerization of a molecular strand containing contradictory dynamic coordination sites.","Inorganic chemistry","2014","53","4","2122","2132","10.1021/ic4027392","","","0.71069","MoKα","","0.11","0.0957","","","0.2386","0.2472","","","","","","1.079","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337292","34.0737","0.0014","20.2018","0.0013","33.1437","0.0011","90","","91.233","0.003","90","","22809.2","1.9","100.01","0.13","100.01","0.13","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C72 H77 Ag6 F6 N30 O10 S2 -","- C72 H78 Ag6 F6 N30 O10 S2 -","- C576 H624 Ag48 F48 N240 O80 S16 -","8","1","","Hutchinson, Daniel J.; James, Matthew P.; Hanton, Lyall R.; Moratti, Stephen C.","Metal-induced isomerization of a molecular strand containing contradictory dynamic coordination sites.","Inorganic chemistry","2014","53","4","2122","2132","10.1021/ic4027392","","","1.5418","CuKα","","0.1268","0.0901","","","0.2576","0.2857","","","","","","0.998","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337293","9.6651","0.0019","16.754","0.003","21.68","0.004","90","","94.55","0.03","90","","3499.6","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 K2 N4 O12 Ti -","- C28 H42 K2 N4 O12 Ti -","- C112 H168 K8 N16 O48 Ti4 -","4","1","","Uppal, Ritika; Israel, Hayley P.; Incarvito, Christopher D.; Valentine, Ann M.","Correction to Titanium(IV) Complexes with N,N'-Dialkyl-2,3-dihydroxyterephthalamides and 1-Hydroxy-2(1H)-pyridinone as Siderophore and Tunichrome Analogues.","Inorganic chemistry","2014","53","4","2342","","10.1021/ic5001182","","","0.71073","MoKα","","0.1967","0.0649","","","0.0945","0.1171","","","","","","1.005","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337294","9.5453","0.0019","11.149","0.002","13.218","0.003","90","","97.02","0.03","90","","1396.1","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O6 Ti -","- C12 H14 N2 O6 Ti -","- C48 H56 N8 O24 Ti4 -","4","1","","Uppal, Ritika; Israel, Hayley P.; Incarvito, Christopher D.; Valentine, Ann M.","Correction to Titanium(IV) Complexes with N,N'-Dialkyl-2,3-dihydroxyterephthalamides and 1-Hydroxy-2(1H)-pyridinone as Siderophore and Tunichrome Analogues.","Inorganic chemistry","2014","53","4","2342","","10.1021/ic5001182","","","0.71073","MoKα","","0.0676","0.0433","","","0.1136","0.1231","","","","","","1.071","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337295","10.954","0.002","12.906","0.003","13.14","0.003","81.88","0.03","86.79","0.03","75.7","0.03","1781.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 N6 O18 Ti2 -","- C30 H24 N6 O18 Ti2 -","- C60 H48 N12 O36 Ti4 -","2","1","","Uppal, Ritika; Israel, Hayley P.; Incarvito, Christopher D.; Valentine, Ann M.","Correction to Titanium(IV) Complexes with N,N'-Dialkyl-2,3-dihydroxyterephthalamides and 1-Hydroxy-2(1H)-pyridinone as Siderophore and Tunichrome Analogues.","Inorganic chemistry","2014","53","4","2342","","10.1021/ic5001182","","","0.71073","MoKα","","0.1999","0.0916","","","0.185","0.2267","","","","","","1.043","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337296","9.9533","0.0005","11.0652","0.0007","11.5908","0.0007","76.561","0.005","88.071","0.004","85.292","0.005","1237.27","0.13","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H66 N2 P2 Pt -","- C56 H66 N2 P2 Pt -","- C56 H66 N2 P2 Pt -","1","0.5","","Parthey, Matthias; Vincent, Kevin B.; Renz, Manuel; Schauer, Phil A.; Yufit, Dmitry S.; Howard, Judith A. K.; Kaupp, Martin; Low, Paul J.","A combined computational and spectroelectrochemical study of platinum-bridged bis-triarylamine systems.","Inorganic chemistry","2014","53","3","1544","1554","10.1021/ic402538e","","","0.7107","MoKα","Mo","0.0315","0.0292","","","0.0623","0.0636","","","","","","1.013","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337297","11.45081","0.00014","14.77726","0.00018","19.3346","0.0002","92.6221","0.001","98.4836","0.001","90.988","0.001","3231.5","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H40 N5 O12 Tb Zn -","- C27 H40 N5 O12 Tb Zn -","- C108 H160 N20 O48 Tb4 Zn4 -","4","2","","Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique","Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands.","Inorganic chemistry","2014","53","3","1465","1474","10.1021/ic402597s","","","0.71073","MoKα","","0.0363","0.026","","","0.0549","0.0566","","","","","","0.979","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337298","11.345","0.005","14.542","0.005","20.078","0.005","90","0.005","101.407","0.005","90","0.005","3247","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 Er N5 O12 Zn -","- C27 H40 Er N5 O12 Zn -","- C108 H160 Er4 N20 O48 Zn4 -","4","1","","Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique","Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands.","Inorganic chemistry","2014","53","3","1465","1474","10.1021/ic402597s","","","0.71069","MoKα","","0.031","0.0281","","","0.0683","0.07","","","","","","1.055","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337299","11.3197","0.0007","14.5238","0.0009","20.1539","0.0012","90","","101.791","0.001","90","","3243.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 N5 O12 Yb Zn -","- C27 H40 N5 O12 Yb Zn -","- C108 H160 N20 O48 Yb4 Zn4 -","4","1","","Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique","Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands.","Inorganic chemistry","2014","53","3","1465","1474","10.1021/ic402597s","","","0.71073","MoKα","","0.0269","0.024","","","0.0557","0.0576","","","","","","1.057","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337300","10.7276","0.0005","15.8243","0.0007","17.8958","0.0008","90","","90","","90","","3037.9","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 Er N6 O13 Zn -","- C25 H37 Er N6 O13 Zn -","- C100 H148 Er4 N24 O52 Zn4 -","4","1","","Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique","Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands.","Inorganic chemistry","2014","53","3","1465","1474","10.1021/ic402597s","","","0.71073","MoKα","","0.0272","0.0253","","","0.0609","0.0627","","","","","","0.823","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337301","18.288","0.005","13.04","0.005","17.534","0.005","90","0.005","116.03","0.005","90","0.005","3757","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H47 N6 Nd O16 Zn -","- C27 H47 N6 Nd O16 Zn -","- C108 H188 N24 Nd4 O64 Zn4 -","4","1","","Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique","Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands.","Inorganic chemistry","2014","53","3","1465","1474","10.1021/ic402597s","","","0.71069","MoKα","","0.038","0.0317","","","0.0787","0.0825","","","","","","1.051","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337302","13.546","0.005","23.332","0.005","14.885","0.005","90","0.005","102.616","0.005","90","0.005","4591","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 N7 O12 Tb Zn -","- C44 H52 N7 O12 Tb Zn -","- C176 H208 N28 O48 Tb4 Zn4 -","4","1","","Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique","Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands.","Inorganic chemistry","2014","53","3","1465","1474","10.1021/ic402597s","","","0.71069","MoKα","","0.033","0.0289","","","0.0688","0.071","","","","","","1.063","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337303","13.547","0.005","23.341","0.005","14.882","0.005","90","0.005","102.621","0.005","90","0.005","4592","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Dy N7 O12 Zn -","- C44 H52 Dy N7 O12 Zn -","- C176 H208 Dy4 N28 O48 Zn4 -","4","1","","Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique","Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands.","Inorganic chemistry","2014","53","3","1465","1474","10.1021/ic402597s","","","0.71069","MoKα","","0.028","0.0251","","","0.0601","0.0618","","","","","","1.066","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337304","13.533","0.005","23.34","0.005","14.868","0.005","90","0.005","102.6","0.005","90","0.005","4583","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Er N7 O12 Zn -","- C44 H52 Er N7 O12 Zn -","- C176 H208 Er4 N28 O48 Zn4 -","4","1","","Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique","Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands.","Inorganic chemistry","2014","53","3","1465","1474","10.1021/ic402597s","","","0.71069","MoKα","","0.0293","0.0262","","","0.0634","0.065","","","","","","1.076","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337305","13.542","0.005","23.319","0.005","14.857","0.005","90","0.005","102.575","0.005","90","0.005","4579","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 N7 O12 Yb Zn -","- C44 H52 N7 O12 Yb Zn -","- C176 H208 N28 O48 Yb4 Zn4 -","4","1","","Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique","Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands.","Inorganic chemistry","2014","53","3","1465","1474","10.1021/ic402597s","","","0.71069","MoKα","","0.0309","0.0277","","","0.0658","0.0675","","","","","","1.04","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337306","22.4764","0.0012","12.8315","0.0007","19.7813","0.001","90","","90","","90","","5705","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C61 H64 N7 O11 Yb Zn -","- C61 H64 N7 O11 Yb Zn -","- C244 H256 N28 O44 Yb4 Zn4 -","4","1","","Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique","Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands.","Inorganic chemistry","2014","53","3","1465","1474","10.1021/ic402597s","","","0.71073","MoKα","","0.037","0.0319","","","0.0693","0.0723","","","","","","1.037","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337307","22.664","0.005","12.828","0.005","19.893","0.005","90","0.005","90","0.005","90","0.005","5784","3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C59 H61 N6 Nd O14 Zn -","- C59 H61 N6 Nd O14 Zn -","- C236 H244 N24 Nd4 O56 Zn4 -","4","1","","Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique","Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands.","Inorganic chemistry","2014","53","3","1465","1474","10.1021/ic402597s","","","0.71069","MoKα","","0.0467","0.0409","","","0.0914","0.0965","","","","","","1.041","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337308","12.051","0.005","12.325","0.005","17.328","0.005","74.587","0.005","86.073","0.005","83.022","0.005","2461","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H62 N4 Nd O13 Zn -","- C44 H62 N4 Nd O13 Zn -","- C88 H124 N8 Nd2 O26 Zn2 -","2","1","","Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique","Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands.","Inorganic chemistry","2014","53","3","1465","1474","10.1021/ic402597s","","","0.71069","MoKα","","0.0566","0.0442","","","0.0935","0.0989","","","","","","1.001","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337309","10.3282","0.0009","10.851","0.001","16.2529","0.0017","77.338","0.005","85.894","0.006","69.482","0.005","1664.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H38 Fe2 N O3 P3 S2 -","- C30 H38 Fe2 N O3 P3 S2 -","- C60 H76 Fe4 N2 O6 P6 S4 -","2","1","","Zheng, Dehua; Wang, Mei; Chen, Lin; Wang, Ning; Sun, Licheng","Redox Reactions of [FeFe]-Hydrogenase Models Containing an Internal Amine and a Pendant Phosphine.","Inorganic chemistry","2014","53","3","1555","1561","10.1021/ic4025519","","","0.71073","MoKα","","0.0332","0.0265","","","0.0672","0.0698","","","","","","1.094","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337310","9.8361","0.0012","10.0581","0.0013","14.3251","0.0017","95.202","0.01","105.16","0.009","105.407","0.009","1299.1","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Fe2 N O5 P S2 -","- C26 H20 Fe2 N O5 P S2 -","- C52 H40 Fe4 N2 O10 P2 S4 -","2","1","","Zheng, Dehua; Wang, Mei; Chen, Lin; Wang, Ning; Sun, Licheng","Redox Reactions of [FeFe]-Hydrogenase Models Containing an Internal Amine and a Pendant Phosphine.","Inorganic chemistry","2014","53","3","1555","1561","10.1021/ic4025519","","","0.71073","MoKα","","0.1104","0.073","","","0.1896","0.2082","","","","","","1.023","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337311","9.8055","0.0013","13.574","0.002","22.372","0.003","90","","90.992","0.007","90","","2977.3","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Fe2 N O4 P2 S2 -","- C28 H29 Fe2 N O4 P2 S2 -","- C112 H116 Fe8 N4 O16 P8 S8 -","4","1","","Zheng, Dehua; Wang, Mei; Chen, Lin; Wang, Ning; Sun, Licheng","Redox Reactions of [FeFe]-Hydrogenase Models Containing an Internal Amine and a Pendant Phosphine.","Inorganic chemistry","2014","53","3","1555","1561","10.1021/ic4025519","","","0.71073","MoKα","","0.1177","0.0489","","","0.0993","0.1218","","","","","","0.89","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337312","18.4962","0.0005","19.465","0.0005","20.153","0.0005","68.726","0.002","79.281","0.002","70.382","0.002","6351.7","0.3","230","2","230","2","","","","","","","","10","P -1","-P 1","2","","","","- C99 H70 B2 Cl8 F48 Fe2 N O4 P3 S2 -","- C99 H70 B2 Cl8 F48 Fe2 N O4 P3 S2 -","- C198 H140 B4 Cl16 F96 Fe4 N2 O8 P6 S4 -","2","1","","Zheng, Dehua; Wang, Mei; Chen, Lin; Wang, Ning; Sun, Licheng","Redox Reactions of [FeFe]-Hydrogenase Models Containing an Internal Amine and a Pendant Phosphine.","Inorganic chemistry","2014","53","3","1555","1561","10.1021/ic4025519","","","0.71073","MoKα","","0.103","0.0667","","","0.1853","0.2036","","","","","","1.068","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337313","4.194","0.001","4.194","0.001","8.269","0.002","90","","90","","90","","145.45","0.06","295","2","295","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","europium iridium tetraluminum disilicide EuIrAl4Si2","","- Al4 Eu Ir Si2 -","- Al4 Eu Ir Si2 -","- Al4 Eu Ir Si2 -","1","0.0625","","Maurya, Arvind; Thamizhavel, Arumugam; Provino, Alessia; Pani, Marcella; Manfrinetti, Pietro; Paudyal, Durga; Dhar, Sudesh Kumar","Synthesis, Crystal and Electronic Structure of the Quaternary Magnetic EuTAl4Si2 (T = Rh and Ir) Compounds.","Inorganic chemistry","2014","53","3","1443","1448","10.1021/ic402363s","","","0.7107","MoKα","","0.0144","0.014","","","0.0391","0.0391","","","","","","1.195","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337314","4.176","0.001","4.176","0.001","8.289","0.002","90","","90","","90","","144.55","0.06","295","2","295","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","europium rhodium tetraluminum disilicide EuRhAl4Si2","","- Al4 Eu Rh Si2 -","- Al4 Eu Rh Si2 -","- Al4 Eu Rh Si2 -","1","0.0625","","Maurya, Arvind; Thamizhavel, Arumugam; Provino, Alessia; Pani, Marcella; Manfrinetti, Pietro; Paudyal, Durga; Dhar, Sudesh Kumar","Synthesis, Crystal and Electronic Structure of the Quaternary Magnetic EuTAl4Si2 (T = Rh and Ir) Compounds.","Inorganic chemistry","2014","53","3","1443","1448","10.1021/ic402363s","","","0.7107","MoKα","","0.0282","0.0272","","","0.0639","0.0642","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337315","11.4012","0.0004","21.2295","0.0008","15.8472","0.0006","90","","103.602","0.0005","90","","3728.1","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2","","","- C40 H46 B Br Cl2 N2 -","- C40 H46 B Br Cl2 N2 -","- C160 H184 B4 Br4 Cl8 N8 -","4","1","","Berger, Christopher J.; He, Gang; Merten, Christian; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Synthesis and luminescent properties of lewis base-appended borafluorenes.","Inorganic chemistry","2014","53","3","1475","1486","10.1021/ic402408t","","","0.71073","MoKα","","0.0518","0.0374","","","0.0872","0.094","","","","","","1.023","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337316","11.3096","0.0004","14.8357","0.0006","20.1829","0.0008","90","","104.247","0.001","90","","3282.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6","","","- C39 H45 B N2 -","- C39 H45 B N2 -","- C156 H180 B4 N8 -","4","1","","Berger, Christopher J.; He, Gang; Merten, Christian; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Synthesis and luminescent properties of lewis base-appended borafluorenes.","Inorganic chemistry","2014","53","3","1475","1486","10.1021/ic402408t","","","0.71073","MoKα","","0.0498","0.04","","","0.101","0.109","","","","","","1.03","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337317","29.9685","0.0007","12.7445","0.0003","43.8064","0.001","90","","91.3286","0.0004","90","","16726.6","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","10","","","- C28.33 H32.67 B Br Cl0.67 N4 O0.5 -","- C26.3333 H28.6667 B Br Cl0.666667 N4 -","- C632 H688 B24 Br24 Cl16 N96 -","24","3","","Berger, Christopher J.; He, Gang; Merten, Christian; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Synthesis and luminescent properties of lewis base-appended borafluorenes.","Inorganic chemistry","2014","53","3","1475","1486","10.1021/ic402408t","","","0.71073","MoKα","","0.0909","0.0659","","","0.1866","0.1996","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337318","11.6745","0.0003","12.1104","0.0003","12.244","0.0003","79.336","0.001","85.434","0.001","89.785","0.001","1695.69","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","13","","","- C30 H43 Br Cl4 N2 -","- C30 H43 Br Cl4 N2 -","- C60 H86 Br2 Cl8 N4 -","2","1","","Berger, Christopher J.; He, Gang; Merten, Christian; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Synthesis and luminescent properties of lewis base-appended borafluorenes.","Inorganic chemistry","2014","53","3","1475","1486","10.1021/ic402408t","","","1.54178","CuKα","","0.0463","0.0419","","","0.1129","0.1166","","","","","","1.039","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337319","12.5593","0.0009","22.5211","0.0015","15.155","0.001","90","","101.145","0.003","90","","4205.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","13","","","- C42 H50 B Br Cl4 N2 -","- C42 H50 B Br Cl4 N2 -","- C168 H200 B4 Br4 Cl16 N8 -","4","1","","Berger, Christopher J.; He, Gang; Merten, Christian; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Synthesis and luminescent properties of lewis base-appended borafluorenes.","Inorganic chemistry","2014","53","3","1475","1486","10.1021/ic402408t","","","1.54178","CuKα","","0.0373","0.035","","","0.0896","0.0914","","","","","","1.034","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337320","16.6901","0.0011","8.1097","0.0013","20.289","0.0012","90","","90","","90","","2746.2","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H23 N11 O5 Zn2 -","- C24 H23 N11 O5 Zn2 -","- C96 H92 N44 O20 Zn8 -","4","1","","Liu, Juan; Zhang, Hua-Bin; Tan, Yan-Xi; Wang, Fei; Kang, Yao; Zhang, Jian","Structural Diversity and Photoluminescent Properties of Zinc Benzotriazole-5-carboxylate Coordination Polymers.","Inorganic chemistry","2014","53","3","1500","1506","10.1021/ic402467g","","","0.71073","MoKα","","0.1486","0.0741","","","0.0987","0.1185","","","","","","0.954","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337321","14.531","0.002","21.96","0.002","9.8361","0.0014","90","","90","","90","","3138.7","0.7","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C13 H14 N6 O3 Zn -","- C13 H14 N6 O3 Zn -","- C104 H112 N48 O24 Zn8 -","8","1","","Liu, Juan; Zhang, Hua-Bin; Tan, Yan-Xi; Wang, Fei; Kang, Yao; Zhang, Jian","Structural Diversity and Photoluminescent Properties of Zinc Benzotriazole-5-carboxylate Coordination Polymers.","Inorganic chemistry","2014","53","3","1500","1506","10.1021/ic402467g","","","0.71073","MoKα","","0.09","0.0546","","","0.1346","0.1533","","","","","","1.008","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337322","18.1524","0.0007","18.1524","0.0007","27.5897","0.0016","90","","90","","90","","9091.1","0.7","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C27 H20 N8 O4 Zn2 -","- C27 H20 N8 O4 Zn2 -","- C216 H160 N64 O32 Zn16 -","8","0.5","","Liu, Juan; Zhang, Hua-Bin; Tan, Yan-Xi; Wang, Fei; Kang, Yao; Zhang, Jian","Structural Diversity and Photoluminescent Properties of Zinc Benzotriazole-5-carboxylate Coordination Polymers.","Inorganic chemistry","2014","53","3","1500","1506","10.1021/ic402467g","","","0.71073","MoKα","","0.1833","0.0883","","","0.2108","0.238","","","","","","0.946","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337323","10.1264","0.001","15.0101","0.0008","17.4862","0.0018","90","","106.359","0.006","90","","2550.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H12 N12 O8 Zn3 -","- C28 H12 N12 O8 Zn3 -","- C56 H24 N24 O16 Zn6 -","2","1","","Liu, Juan; Zhang, Hua-Bin; Tan, Yan-Xi; Wang, Fei; Kang, Yao; Zhang, Jian","Structural Diversity and Photoluminescent Properties of Zinc Benzotriazole-5-carboxylate Coordination Polymers.","Inorganic chemistry","2014","53","3","1500","1506","10.1021/ic402467g","","","0.71073","MoKα","","0.0744","0.0597","","","0.1633","0.1794","","","","","","0.97","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337324","17.3222","0.0009","30.933","0.002","30.4764","0.0017","90","","96.517","0.003","90","","16224.6","1.6","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C115 H172 Co12 N4 O60 P4 -","- C115 H172 Co12 N4 O60 P4 -","- C460 H688 Co48 N16 O240 P16 -","4","0.5","","Sheikh, Javeed Ahmad; Adhikary, Amit; Jena, Himanshu Sekhar; Biswas, Soumava; Konar, Sanjit","High Nuclearity (Octa-, Dodeca-, and Pentadecanuclear) Metal (M = Co(II), Ni(II)) Phosphonate Cages: Synthesis, Structure, and Magnetic Behavior.","Inorganic chemistry","2014","53","3","1606","1613","10.1021/ic402673v","","","0.71073","MoKα","","0.1234","0.1096","","","0.2791","0.2878","","","","","","1.078","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337325","19.7023","0.0005","19.7023","0.0005","52.319","0.002","90","","90","","120","","17588.3","0.9","130","2","130","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C114 H165 N3 Ni12 O64.5 P4 -","- C114 H165 N3 Ni12 O64.5 P4 -","- C456 H660 N12 Ni48 O258 P16 -","4","0.333333","","Sheikh, Javeed Ahmad; Adhikary, Amit; Jena, Himanshu Sekhar; Biswas, Soumava; Konar, Sanjit","High Nuclearity (Octa-, Dodeca-, and Pentadecanuclear) Metal (M = Co(II), Ni(II)) Phosphonate Cages: Synthesis, Structure, and Magnetic Behavior.","Inorganic chemistry","2014","53","3","1606","1613","10.1021/ic402673v","","","0.71073","MoKα","","0.0869","0.0823","","","0.2082","0.2117","","","","","","1.213","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4337326","21.5512","0.0018","21.5512","0.0018","19.1984","0.0019","90","","90","","90","","8916.8","1.4","130","2","130","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C110 H176 Co12 O58 P4 -","- C110 H176 Co12 O58 P4 -","- C220 H352 Co24 O116 P8 -","2","0.25","","Sheikh, Javeed Ahmad; Adhikary, Amit; Jena, Himanshu Sekhar; Biswas, Soumava; Konar, Sanjit","High Nuclearity (Octa-, Dodeca-, and Pentadecanuclear) Metal (M = Co(II), Ni(II)) Phosphonate Cages: Synthesis, Structure, and Magnetic Behavior.","Inorganic chemistry","2014","53","3","1606","1613","10.1021/ic402673v","","","0.71073","MoKα","","0.0676","0.0566","","","0.169","0.1796","","","","","","1.002","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337327","57","0.007","16.0479","0.0018","30.275","0.003","90","","105.678","0.006","90","","26663","5","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H141 Ni8 O40 P2 -","- C94 H141 Ni8 O40 P2 -","- C752 H1128 Ni64 O320 P16 -","8","1","","Sheikh, Javeed Ahmad; Adhikary, Amit; Jena, Himanshu Sekhar; Biswas, Soumava; Konar, Sanjit","High Nuclearity (Octa-, Dodeca-, and Pentadecanuclear) Metal (M = Co(II), Ni(II)) Phosphonate Cages: Synthesis, Structure, and Magnetic Behavior.","Inorganic chemistry","2014","53","3","1606","1613","10.1021/ic402673v","","","0.71073","MoKα","","0.1895","0.1228","","","0.2646","0.2791","","","","","","1.119","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337328","20.011","0.003","28.907","0.004","30.35","0.006","90","","93.332","0.012","90","","17527","5","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C140 H118 Cl18 Co15 N12 O48 P8 -","- C140 H118 Cl18 Co15 N12 O48 P8 -","- C560 H472 Cl72 Co60 N48 O192 P32 -","4","0.5","","Sheikh, Javeed Ahmad; Adhikary, Amit; Jena, Himanshu Sekhar; Biswas, Soumava; Konar, Sanjit","High Nuclearity (Octa-, Dodeca-, and Pentadecanuclear) Metal (M = Co(II), Ni(II)) Phosphonate Cages: Synthesis, Structure, and Magnetic Behavior.","Inorganic chemistry","2014","53","3","1606","1613","10.1021/ic402673v","","","0.71073","MoKα","","0.0943","0.0838","","","0.2328","0.2448","","","","","","1.049","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337329","11.454","0.005","8.985","0.004","18.166","0.006","90","","122.113","0.019","90","","1583.5","1.2","220","2","493","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","data","","","- C11 H18 Cl2 Cu N4 O5 -","- C11 H18 Cl2 Cu N4 O5.008 -","- C44 H72 Cl8 Cu4 N16 O20.032 -","4","1","","Lincoln, Kimberly M.; Offutt, Michael E.; Hayden, Travis D.; Saunders, Ryker E.; Green, Kayla N.","Structural, Spectral, and Electrochemical Properties of Nickel(II), Copper(II), and Zinc(II) Complexes Containing 12-Membered Pyridine- and Pyridol-Based Tetra-aza Macrocycles.","Inorganic chemistry","2014","53","3","1406","1416","10.1021/ic402119s","","","0.71073","","","0.0277","0.0245","","","0.0638","0.066","","","","","","1.024","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337330","8.0118","0.001","9.0865","0.0011","13.2273","0.0017","109.532","0.003","93.412","0.004","107.352","0.003","852.55","0.19","86","","359.15","","","","","","","","","6","P -1","-P 1","2","data","","","- C11 H20 Cl2 Cu N4 O6 -","- C11 H20 Cl2 Cu N4 O6 -","- C22 H40 Cl4 Cu2 N8 O12 -","2","1","","Lincoln, Kimberly M.; Offutt, Michael E.; Hayden, Travis D.; Saunders, Ryker E.; Green, Kayla N.","Structural, Spectral, and Electrochemical Properties of Nickel(II), Copper(II), and Zinc(II) Complexes Containing 12-Membered Pyridine- and Pyridol-Based Tetra-aza Macrocycles.","Inorganic chemistry","2014","53","3","1406","1416","10.1021/ic402119s","","","0.71073","","","0.0453","0.0407","","","0.1179","0.1221","","","","","","1.038","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337331","7.783","0.002","26.239","0.008","17.071","0.005","90","","104.446","0.013","90","","3376","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 Cl2 N4 O5.5 Zn -","- C11 H19 Cl2 N4 O5.5 Zn -","- C88 H152 Cl16 N32 O44 Zn8 -","8","2","","Lincoln, Kimberly M.; Offutt, Michael E.; Hayden, Travis D.; Saunders, Ryker E.; Green, Kayla N.","Structural, Spectral, and Electrochemical Properties of Nickel(II), Copper(II), and Zinc(II) Complexes Containing 12-Membered Pyridine- and Pyridol-Based Tetra-aza Macrocycles.","Inorganic chemistry","2014","53","3","1406","1416","10.1021/ic402119s","","","0.71073","MoKα","","0.0713","0.0457","","","0.1124","0.1242","","","","","","1.06","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4337332","7.065","0.004","10.659","0.007","11.799","0.007","72.958","0.016","80.072","0.016","78.071","0.017","825.2","0.9","100","","373.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 Cl4 N8 Ni2 O10 -","- C22 H36 Cl4 N8 Ni2 O10 -","- C22 H36 Cl4 N8 Ni2 O10 -","1","0.5","","Lincoln, Kimberly M.; Offutt, Michael E.; Hayden, Travis D.; Saunders, Ryker E.; Green, Kayla N.","Structural, Spectral, and Electrochemical Properties of Nickel(II), Copper(II), and Zinc(II) Complexes Containing 12-Membered Pyridine- and Pyridol-Based Tetra-aza Macrocycles.","Inorganic chemistry","2014","53","3","1406","1416","10.1021/ic402119s","","","0.71073","","","0.0413","0.0401","","","0.1121","0.1136","","","","","","1.001","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337333","7.1569","0.0004","18.7039","0.001","11.3004","0.0006","90","","97.055","0.002","90","","1501.24","0.14","100","2","373","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl4 N8 Ni2 O8 -","- C22 H36 Cl4 N8 Ni2 O8 -","- C44 H72 Cl8 N16 Ni4 O16 -","2","0.5","","Lincoln, Kimberly M.; Offutt, Michael E.; Hayden, Travis D.; Saunders, Ryker E.; Green, Kayla N.","Structural, Spectral, and Electrochemical Properties of Nickel(II), Copper(II), and Zinc(II) Complexes Containing 12-Membered Pyridine- and Pyridol-Based Tetra-aza Macrocycles.","Inorganic chemistry","2014","53","3","1406","1416","10.1021/ic402119s","","","0.71073","","","0.0426","0.0363","","","0.0889","0.0918","","","","","","1.09","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337334","11.5092","0.0005","9.0075","0.0004","15.4711","0.0007","90","","97.41","0.002","90","","1590.48","0.12","100","","373.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ZnpHP","","","- C11 H18 Cl2 N4 O5 Zn -","- C11 H18 Cl2 N4 O5 Zn -","- C44 H72 Cl8 N16 O20 Zn4 -","4","1","","Lincoln, Kimberly M.; Offutt, Michael E.; Hayden, Travis D.; Saunders, Ryker E.; Green, Kayla N.","Structural, Spectral, and Electrochemical Properties of Nickel(II), Copper(II), and Zinc(II) Complexes Containing 12-Membered Pyridine- and Pyridol-Based Tetra-aza Macrocycles.","Inorganic chemistry","2014","53","3","1406","1416","10.1021/ic402119s","","","0.71073","","","0.0684","0.0453","","","0.1106","0.1251","","","","","","1.019","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337335","12.487","0.004","30.961","0.011","23.215","0.007","90","","101.066","0.005","90","","8808","5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C78 H74 Co2 F24 Gd2 N4 O16 -","- C78 H74 Co2 F24 Gd2 N4 O16 -","- C312 H296 Co8 F96 Gd8 N16 O64 -","4","1","","Abtab, Sk Md Towsif; Majee, Mithun Chandra; Maity, Manoranjan; Titiš, Ján; Boča, Roman; Chaudhury, Muktimoy","Tetranuclear Hetero-Metal [Co(II)2Ln(III)2] (Ln = Gd, Tb, Dy, Ho, La) Complexes Involving Carboxylato Bridges in a Rare μ4-η(2):η(2) Mode: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","3","1295","1306","10.1021/ic401484d","","","0.71073","MoKα","","0.0441","0.0371","","","0.0804","0.0828","","","","","","1.136","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337336","12.4119","0.0009","30.895","0.002","23.1418","0.0016","90","","100.714","0.003","90","","8719.4","1","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C78 H74 Co2 F24 N4 O16 Tb2 -","- C78 H74 Co2 F24 N4 O16 Tb2 -","- C312 H296 Co8 F96 N16 O64 Tb8 -","4","1","","Abtab, Sk Md Towsif; Majee, Mithun Chandra; Maity, Manoranjan; Titiš, Ján; Boča, Roman; Chaudhury, Muktimoy","Tetranuclear Hetero-Metal [Co(II)2Ln(III)2] (Ln = Gd, Tb, Dy, Ho, La) Complexes Involving Carboxylato Bridges in a Rare μ4-η(2):η(2) Mode: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","3","1295","1306","10.1021/ic401484d","","","0.71073","MoKα","","0.0711","0.0588","","","0.1423","0.1529","","","","","","1.084","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337337","12.4052","0.0005","30.8506","0.0013","23.1455","0.001","90","","100.866","0.002","90","","8699.1","0.6","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C78 H74 Co2 Dy2 F24 N4 O16 -","- C78 H74 Co2 Dy2 F24 N4 O16 -","- C312 H296 Co8 Dy8 F96 N16 O64 -","4","1","","Abtab, Sk Md Towsif; Majee, Mithun Chandra; Maity, Manoranjan; Titiš, Ján; Boča, Roman; Chaudhury, Muktimoy","Tetranuclear Hetero-Metal [Co(II)2Ln(III)2] (Ln = Gd, Tb, Dy, Ho, La) Complexes Involving Carboxylato Bridges in a Rare μ4-η(2):η(2) Mode: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","3","1295","1306","10.1021/ic401484d","","","0.71073","MoKα","","0.0556","0.0429","","","0.1123","0.1236","","","","","","0.853","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337338","12.4729","0.0008","31.218","0.002","23.1884","0.0015","90","","100.334","0.002","90","","8882.6","1","298","2","298","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C78 H74 Co2 F24 Ho2 N4 O16 -","- C78 H74 Co2 F24 Ho2 N4 O16 -","- C312 H296 Co8 F96 Ho8 N16 O64 -","4","1","","Abtab, Sk Md Towsif; Majee, Mithun Chandra; Maity, Manoranjan; Titiš, Ján; Boča, Roman; Chaudhury, Muktimoy","Tetranuclear Hetero-Metal [Co(II)2Ln(III)2] (Ln = Gd, Tb, Dy, Ho, La) Complexes Involving Carboxylato Bridges in a Rare μ4-η(2):η(2) Mode: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","3","1295","1306","10.1021/ic401484d","","","0.71073","MoKα","","0.0613","0.0451","","","0.1207","0.1349","","","","","","0.905","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337339","24.0316","0.0013","12.4015","0.0007","29.9633","0.0016","90","","90","","90","","8929.9","0.8","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C78 H74 Co2 F24 La2 N4 O16 -","- C78 H74 Co2 F24 La2 N4 O16 -","- C312 H296 Co8 F96 La8 N16 O64 -","4","1","","Abtab, Sk Md Towsif; Majee, Mithun Chandra; Maity, Manoranjan; Titiš, Ján; Boča, Roman; Chaudhury, Muktimoy","Tetranuclear Hetero-Metal [Co(II)2Ln(III)2] (Ln = Gd, Tb, Dy, Ho, La) Complexes Involving Carboxylato Bridges in a Rare μ4-η(2):η(2) Mode: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","3","1295","1306","10.1021/ic401484d","","","0.71073","MoKα","","0.0455","0.0365","","","0.0824","0.0872","","","","","","1.129","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337340","12.4944","0.0007","31.2598","0.0017","23.219","0.0012","90","","100.184","0.001","90","","8925.8","0.8","298","2","298","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C78 H74 Dy2 F24 N4 O16 Zn2 -","- C78 H74 Dy2 F24 N4 O16 Zn2 -","- C312 H296 Dy8 F96 N16 O64 Zn8 -","4","1","","Abtab, Sk Md Towsif; Majee, Mithun Chandra; Maity, Manoranjan; Titiš, Ján; Boča, Roman; Chaudhury, Muktimoy","Tetranuclear Hetero-Metal [Co(II)2Ln(III)2] (Ln = Gd, Tb, Dy, Ho, La) Complexes Involving Carboxylato Bridges in a Rare μ4-η(2):η(2) Mode: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","3","1295","1306","10.1021/ic401484d","","","0.71073","MoKα","","0.0575","0.0415","","","0.1094","0.1252","","","","","","0.864","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337341","9.992","0.002","10.534","0.002","15.403","0.004","81.777","0.008","74.7","0.008","72.946","0.008","1491.2","0.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H46 N4 -","- C31 H46 N4 -","- C62 H92 N8 -","2","1","","Komine, Nobuyuki; Buell, René W; Chen, Chun-Hsing; Hui, Alice K.; Pink, Maren; Caulton, Kenneth G.","Probing the steric and electronic characteristics of a new bis-pyrrolide pincer ligand.","Inorganic chemistry","2014","53","3","1361","1369","10.1021/ic402120r","","","0.71073","MoKα","","0.065","0.0508","","","0.1307","0.1401","","","","","","1.033","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337342","16.6811","0.001","9.6848","0.0006","25.8426","0.0014","90","","108.415","0.001","90","","3961.2","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H55 N4 Pt -","- C45 H54.999 N4 Pt -","- C180 H219.996 N16 Pt4 -","4","1","","Komine, Nobuyuki; Buell, René W; Chen, Chun-Hsing; Hui, Alice K.; Pink, Maren; Caulton, Kenneth G.","Probing the steric and electronic characteristics of a new bis-pyrrolide pincer ligand.","Inorganic chemistry","2014","53","3","1361","1369","10.1021/ic402120r","","","0.71073","MoKα","","0.0324","0.0229","","0.0453","0.0435","0.0453","","","","","","0.965","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337343","12.924","0.0005","14.2909","0.0005","15.16","0.0005","95.566","0.002","104.189","0.002","93.641","0.002","2690.69","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H84 Fe N6 -","- C58 H84 Fe N6 -","- C116 H168 Fe2 N12 -","2","1","","Komine, Nobuyuki; Buell, René W; Chen, Chun-Hsing; Hui, Alice K.; Pink, Maren; Caulton, Kenneth G.","Probing the steric and electronic characteristics of a new bis-pyrrolide pincer ligand.","Inorganic chemistry","2014","53","3","1361","1369","10.1021/ic402120r","","","0.71073","MoKα","","0.1025","0.05","","","0.095","0.111","","","","","","0.985","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337344","14.052","0.0006","10.8214","0.0004","23.6887","0.001","90","","105.161","0.002","90","","3476.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 N5 Zn -","- C36 H51 N5 Zn -","- C144 H204 N20 Zn4 -","4","1","","Komine, Nobuyuki; Buell, René W; Chen, Chun-Hsing; Hui, Alice K.; Pink, Maren; Caulton, Kenneth G.","Probing the steric and electronic characteristics of a new bis-pyrrolide pincer ligand.","Inorganic chemistry","2014","53","3","1361","1369","10.1021/ic402120r","","","0.71073","MoKα","","0.0446","0.0325","","","0.0774","0.082","","","","","","1.045","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337345","13.6754","0.0007","19.5172","0.001","11.5242","0.0006","90","","106.629","0.001","90","","2947.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 N3 Zn -","- C31 H47 N3 Zn -","- C124 H188 N12 Zn4 -","4","1","","Komine, Nobuyuki; Buell, René W; Chen, Chun-Hsing; Hui, Alice K.; Pink, Maren; Caulton, Kenneth G.","Probing the steric and electronic characteristics of a new bis-pyrrolide pincer ligand.","Inorganic chemistry","2014","53","3","1361","1369","10.1021/ic402120r","","","0.71073","MoKα","","0.0553","0.04","","","0.1143","0.1278","","","","","","1.067","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337346","12.626","0.003","14.716","0.003","16.237","0.004","78.159","0.002","85.001","0.003","72.657","0.002","2817.4","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 Cl2 O P2 Pt -","- C26 H40 Cl2 O P2 Pt -","- C104 H160 Cl8 O4 P8 Pt4 -","4","2","","Wickramasinghe, Lasantha A.; Sharp, Paul R.","Photoreduction of Pt(IV) Halo-Hydroxo Complexes: Possible Hypohalous Acid Elimination.","Inorganic chemistry","2014","53","3","1430","1442","10.1021/ic402358s","","","0.71073","MoKα","","0.0703","0.0411","","","0.0887","0.1009","","","","","","1.025","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337347","9.2578","0.0014","11.4972","0.0017","12.868","0.0019","99.642","0.002","110.651","0.002","96.949","0.002","1239.2","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H36 Cl F3 O3 P2 Pt -","- C19 H36 Cl F3 O3 P2 Pt -","- C38 H72 Cl2 F6 O6 P4 Pt2 -","2","1","","Wickramasinghe, Lasantha A.; Sharp, Paul R.","Photoreduction of Pt(IV) Halo-Hydroxo Complexes: Possible Hypohalous Acid Elimination.","Inorganic chemistry","2014","53","3","1430","1442","10.1021/ic402358s","","","0.71073","MoKα","","0.0302","0.027","","","0.0693","0.0707","","","","","","1.105","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337348","10.3696","0.0017","13.66","0.002","17.993","0.003","77.882","0.002","85.522","0.002","89.135","0.002","2484.3","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H35 Cl2 F3 O P2 Pt -","- C19 H35 Cl2 F3 O P2 Pt -","- C76 H140 Cl8 F12 O4 P8 Pt4 -","4","2","","Wickramasinghe, Lasantha A.; Sharp, Paul R.","Photoreduction of Pt(IV) Halo-Hydroxo Complexes: Possible Hypohalous Acid Elimination.","Inorganic chemistry","2014","53","3","1430","1442","10.1021/ic402358s","","","0.71073","MoKα","","0.0369","0.0295","","","0.0663","0.0691","","","","","","1.051","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337349","12.377","0.004","12.681","0.004","13.374","0.005","107.28","0.02","102.53","0.01","112.24","0.02","1721.6","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H98 Ba4 Cl4 O29 Ti2 -","- C42 H98 Ba4 Cl4 O29 Ti2 -","- C42 H98 Ba4 Cl4 O29 Ti2 -","1","0.5","","Kosińska-Klähn, Magdalena; John, Lukasz; Drąg-Jarząbek, Anna; Utko, Józef; Petrus, Rafał; Jerzykiewicz, Lucjan B.; Sobota, Piotr","Transformation of Barium-Titanium Chloro-Alkoxide Compound to BaTiO3 Nanoparticles by BaCl2 Elimination.","Inorganic chemistry","2014","53","3","1630","1636","10.1021/ic402987n","","","0.71073","MoKα","","0.0251","0.0196","","","0.0471","0.0495","","","","","","1.063","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337350","13.381","0.003","15.794","0.003","18.948","0.004","107.01","0.02","106.43","0.03","103.81","0.02","3440","1.7","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H178 Ba4 O33 Ti2 -","- C144 H178 Ba4 O33 Ti2 -","- C144 H178 Ba4 O33 Ti2 -","1","0.5","","Kosińska-Klähn, Magdalena; John, Lukasz; Drąg-Jarząbek, Anna; Utko, Józef; Petrus, Rafał; Jerzykiewicz, Lucjan B.; Sobota, Piotr","Transformation of Barium-Titanium Chloro-Alkoxide Compound to BaTiO3 Nanoparticles by BaCl2 Elimination.","Inorganic chemistry","2014","53","3","1630","1636","10.1021/ic402987n","","","0.71073","MoKα","","0.0322","0.0244","","","0.0512","0.0544","","","","","","1.022","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337351","6.5802","0.0003","14.2081","0.0014","16.4891","0.0008","90","","90","","90","","1541.6","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Cl3 N2 O2 Os -","- C12 H16 Cl3 N2 O2 Os -","- C48 H64 Cl12 N8 O8 Os4 -","4","1","","Tory, Joanne; King, Lisa; Maroulis, Antonios; Haukka, Matti; Calhorda, Maria José; Hartl, František","Solvent-Dependent Formation of Os(0) Complexes by Electrochemical Reduction of [Os(CO)(2,2'-bipyridine)(L)Cl2]; L = Cl(-), PrCN.","Inorganic chemistry","2014","53","3","1382","1396","10.1021/ic402146t","","","0.71073","MoKα","","0.0205","0.0168","","","0.0284","0.0292","","","","","","1.007","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337352","8.1215","0.0005","6.7002","0.0003","12.3686","0.0004","90","","104.791","0.003","90","","650.74","0.05","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C11 H8 Cl3 N2 O Os -","- C11 H8 Cl3 N2 O Os -","- C22 H16 Cl6 N4 O2 Os2 -","2","1","","Tory, Joanne; King, Lisa; Maroulis, Antonios; Haukka, Matti; Calhorda, Maria José; Hartl, František","Solvent-Dependent Formation of Os(0) Complexes by Electrochemical Reduction of [Os(CO)(2,2'-bipyridine)(L)Cl2]; L = Cl(-), PrCN.","Inorganic chemistry","2014","53","3","1382","1396","10.1021/ic402146t","","","0.71073","MoKα","","0.0138","0.0127","","","0.0267","0.027","","","","","","0.801","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337353","5.0181","0.0002","18.1139","0.0006","13.0979","0.0004","90","","92.255","0.002","90","","1189.64","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Br N4 -","- C12 H15 Br N4 -","- C48 H60 Br4 N16 -","4","1","","Pal, Amlan K.; Nag, Samik; Ferreira, Janaina G.; Brochery, Victor; La Ganga, Giuseppina; Santoro, Antonio; Serroni, Scolastica; Campagna, Sebastiano; Hanan, Garry S.","Red-Emitting [Ru(bpy)2(N-N)](2+) Photosensitizers: Emission from a Ruthenium(II) to 2,2'-Bipyridine (3)MLCT State in the Presence of Neutral Ancillary ""Super Donor"" Ligands.","Inorganic chemistry","2014","53","3","1679","1689","10.1021/ic4028332","","","1.54178","CuKα","","0.0442","0.0366","","","0.0899","0.095","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337354","35.6514","0.001","10.152","0.0003","26.1512","0.0012","90","","130.121","0.001","90","","7237.7","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 F12 N8 P2 Ru -","- C32 H32 F12 N8 P2 Ru -","- C256 H256 F96 N64 P16 Ru8 -","8","1","","Pal, Amlan K.; Nag, Samik; Ferreira, Janaina G.; Brochery, Victor; La Ganga, Giuseppina; Santoro, Antonio; Serroni, Scolastica; Campagna, Sebastiano; Hanan, Garry S.","Red-Emitting [Ru(bpy)2(N-N)](2+) Photosensitizers: Emission from a Ruthenium(II) to 2,2'-Bipyridine (3)MLCT State in the Presence of Neutral Ancillary ""Super Donor"" Ligands.","Inorganic chemistry","2014","53","3","1679","1689","10.1021/ic4028332","","","1.54178","CuKα","","0.0813","0.064","","","0.1766","0.1889","","","","","","0.98","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337355","20.4021","0.0008","10.5565","0.0004","16.4117","0.0007","90","","95.787","0.002","90","","3516.7","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 F12 N9 P2 Ru -","- C31 H31 F12 N9 P2 Ru -","- C124 H124 F48 N36 P8 Ru4 -","4","1","","Pal, Amlan K.; Nag, Samik; Ferreira, Janaina G.; Brochery, Victor; La Ganga, Giuseppina; Santoro, Antonio; Serroni, Scolastica; Campagna, Sebastiano; Hanan, Garry S.","Red-Emitting [Ru(bpy)2(N-N)](2+) Photosensitizers: Emission from a Ruthenium(II) to 2,2'-Bipyridine (3)MLCT State in the Presence of Neutral Ancillary ""Super Donor"" Ligands.","Inorganic chemistry","2014","53","3","1679","1689","10.1021/ic4028332","","","1.54178","CuKα","","0.0415","0.0362","","","0.0971","0.0999","","","","","","1.038","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337356","12.0837","0.0005","12.3164","0.0004","14.5069","0.0005","88.11","0.002","81.464","0.002","82.341","0.002","2115.87","0.13","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H64 Cl F12 N9 O7 P2 Ru -","- C34 H36 Cl F12 N9 O P2 Ru -","- C68 H72 Cl2 F24 N18 O2 P4 Ru2 -","2","1","","Pal, Amlan K.; Nag, Samik; Ferreira, Janaina G.; Brochery, Victor; La Ganga, Giuseppina; Santoro, Antonio; Serroni, Scolastica; Campagna, Sebastiano; Hanan, Garry S.","Red-Emitting [Ru(bpy)2(N-N)](2+) Photosensitizers: Emission from a Ruthenium(II) to 2,2'-Bipyridine (3)MLCT State in the Presence of Neutral Ancillary ""Super Donor"" Ligands.","Inorganic chemistry","2014","53","3","1679","1689","10.1021/ic4028332","","","1.54178","CuKα","","0.0623","0.0611","","","0.1853","0.1867","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337357","13.509","0.009","16.514","0.011","13.872","0.009","90","","95.833","0.009","90","","3079","4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N/A","","","- C33 H34 N4 O3 -","- C33 H34 N4 O3 -","- C132 H136 N16 O12 -","4","1","","Xiao, Cheng-Liang; Wang, Cong-Zhi; Yuan, Li-Yong; Li, Bin; He, Hui; Wang, Shuao; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun","Excellent selectivity for actinides with a tetradentate 2,9-diamide-1,10-phenanthroline ligand in highly acidic solution: a hard-soft donor combined strategy.","Inorganic chemistry","2014","53","3","1712","1720","10.1021/ic402784c","","","0.71073","MoKα","","0.1333","0.0971","","","0.3246","0.3672","","","","","","1.338","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337358","18.0542","0.0017","10.9572","0.001","20.9202","0.0017","90","","115.522","0.001","90","","3734.7","0.6","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N/A","","","- C32 H30 N8 O15 Th -","- C32 H32 N8 O15 Th -","- C128 H128 N32 O60 Th4 -","4","1","","Xiao, Cheng-Liang; Wang, Cong-Zhi; Yuan, Li-Yong; Li, Bin; He, Hui; Wang, Shuao; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun","Excellent selectivity for actinides with a tetradentate 2,9-diamide-1,10-phenanthroline ligand in highly acidic solution: a hard-soft donor combined strategy.","Inorganic chemistry","2014","53","3","1712","1720","10.1021/ic402784c","","","0.71073","MoKα","","0.0762","0.044","","","0.074","0.0937","","","","","","1.005","","","","has coordinates","189367","2020-10-21","18:00:00",""
"4337359","10.3764","0.0018","14.334","0.003","15.045","0.003","72.449","0.003","87.864","0.003","76.227","0.003","2070.8","0.7","273","2","273","2","","","","","","","","5","P -1","-P 1","2","N/A","","","- C34 H40 N6 O9 U -","- C34 H36 N6 O9 U -","- C68 H72 N12 O18 U2 -","2","1","","Xiao, Cheng-Liang; Wang, Cong-Zhi; Yuan, Li-Yong; Li, Bin; He, Hui; Wang, Shuao; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun","Excellent selectivity for actinides with a tetradentate 2,9-diamide-1,10-phenanthroline ligand in highly acidic solution: a hard-soft donor combined strategy.","Inorganic chemistry","2014","53","3","1712","1720","10.1021/ic402784c","","","0.71073","MoKα","","0.0901","0.0762","","","0.2255","0.2486","","","","","","1.052","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337360","8.1003","0.001","6.8966","0.0009","11.8834","0.0015","90","","90.606","0.002","90","","663.82","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diammonium heptafluoroprotactinate(V)","","","- F7 H8 N2 Pa -","- F7 H8 N2 Pa -","- F28 H32 N8 Pa4 -","4","1","","De Sio, Stéphanie M; Wilson, Richard E.","Structural and spectroscopic studies of fluoroprotactinates.","Inorganic chemistry","2014","53","3","1750","1755","10.1021/ic402877a","","","0.71073","MoKα","","0.0179","0.0171","","","0.0537","0.0544","","","","","","1.238","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337361","13.675","0.004","6.6903","0.0019","8.096","0.002","90","","125.087","0.003","90","","606.1","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","dipotassium heptafluoroprotactinate(V)","","","- F7 K2 Pa -","- F7 K2 Pa -","- F28 K8 Pa4 -","4","0.5","","De Sio, Stéphanie M; Wilson, Richard E.","Structural and spectroscopic studies of fluoroprotactinates.","Inorganic chemistry","2014","53","3","1750","1755","10.1021/ic402877a","","","0.71073","MoKα","","0.0201","0.02","","","0.0498","0.0499","","","","","","1.161","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337362","14.1027","0.0012","6.9361","0.0006","8.1467","0.0007","90","","124.85","0.001","90","","653.97","0.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","dirubidium heptafluoroprotactinate(V)","","","- F7 Pa Rb2 -","- F7 Pa Rb2 -","- F28 Pa4 Rb8 -","4","0.5","","De Sio, Stéphanie M; Wilson, Richard E.","Structural and spectroscopic studies of fluoroprotactinates.","Inorganic chemistry","2014","53","3","1750","1755","10.1021/ic402877a","","","0.71073","MoKα","","0.035","0.0349","","","0.095","0.0951","","","","","","1.143","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337363","14.4439","0.0013","7.2533","0.0007","8.215","0.0008","90","","122.87","0.001","90","","722.87","0.12","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","dicesium heptafluoroprotactinate(V)","","","- Cs2 F7 Pa -","- Cs2 F7 Pa -","- Cs8 F28 Pa4 -","4","0.5","","De Sio, Stéphanie M; Wilson, Richard E.","Structural and spectroscopic studies of fluoroprotactinates.","Inorganic chemistry","2014","53","3","1750","1755","10.1021/ic402877a","","","0.71073","MoKα","","0.0174","0.0167","","","0.0413","0.0415","","","","","","1.154","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337364","5.4415","0.0009","5.4415","0.0009","10.8482","0.0019","90","","90","","90","","321.21","0.09","100","2","100","2","","","","","","","","3","I 4/m m m","-I 4 2","139","trisodium octofluoroprotactinate(V)","","","- F8 Na3 Pa -","- F8 Na3 Pa -","- F16 Na6 Pa2 -","2","0.0625","","De Sio, Stéphanie M; Wilson, Richard E.","Structural and spectroscopic studies of fluoroprotactinates.","Inorganic chemistry","2014","53","3","1750","1755","10.1021/ic402877a","","","0.71073","MoKα","","0.0116","0.0116","","","0.0267","0.0267","","","","","","1.143","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337365","15.1001","0.0005","9.0563","0.0003","12.9862","0.0004","90","","104.92","","90","","1716","0.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H28 F8 N2 O2 Pa -","- C8 H24 F8 N2 O2 Pa -","- C32 H96 F32 N8 O8 Pa4 -","4","0.5","","De Sio, Stéphanie M; Wilson, Richard E.","Structural and spectroscopic studies of fluoroprotactinates.","Inorganic chemistry","2014","53","3","1750","1755","10.1021/ic402877a","","","0.71073","MoKα","","0.0198","0.0184","","","0.0439","0.0443","","","","","","1.236","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337366","8.033","0.0004","15.9214","0.0007","7.9958","0.0004","90","","90","","90","","1022.64","0.09","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C4 H12 F6 N Pa -","- C4 H12 F6 N Pa -","- C16 H48 F24 N4 Pa4 -","4","0.5","","De Sio, Stéphanie M; Wilson, Richard E.","Structural and spectroscopic studies of fluoroprotactinates.","Inorganic chemistry","2014","53","3","1750","1755","10.1021/ic402877a","","","0.71073","MoKα","","0.0473","0.0326","","","0.0817","0.0925","","","","","","1.225","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337367","34.0239","0.0015","34.0239","0.0015","34.0239","0.0015","90","","90","","90","","39387","3","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C30 Ir3 N18 O13 Zn4 -","- C30 Ir3 N18.12 O13 Zn4 -","- C240 Ir24 N144.96 O104 Zn32 -","8","0.0416667","","Wang, Cheng; Liu, Demin; Xie, Zhigang; Lin, Wenbin","Functional Metal-Organic Frameworks via Ligand Doping: Influences of Ligand Charge and Steric Demand.","Inorganic chemistry","2014","53","3","1331","1338","10.1021/ic402015q","","","1.54178","CuKα","","0.1802","0.1464","","","0.422","0.4455","","","","","","1.639","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337368","18.3559","0.0014","26.314","0.002","42.406","0.003","90","","90","","90","","20483","3","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C55 H0 Ir N8 O10 Zn2 -","- C55.2159 Ir1.0002 N4.0008 O10 Zn2 -","- C441.727 Ir8.0016 N32.0064 O80 Zn16 -","8","1","","Wang, Cheng; Liu, Demin; Xie, Zhigang; Lin, Wenbin","Functional Metal-Organic Frameworks via Ligand Doping: Influences of Ligand Charge and Steric Demand.","Inorganic chemistry","2014","53","3","1331","1338","10.1021/ic402015q","","","1.54178","CuKα","","0.1736","0.1256","","","0.3232","0.3568","","","","","","1.049","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337369","34.66","0.006","19.562","0.004","20.249","0.004","90","","123.357","0.002","90","","11467","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C114 H84 Cl6 N6 P6 Pt3 -","- C114 H84 Cl6 N6 P6 Pt3 -","- C456 H336 Cl24 N24 P24 Pt12 -","4","0.5","","Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.","Novel Trisphosphine Ligand Containing 1,3,5-Triazine Core, [2,4,6-C3N3{C6H4PPh2-p}3]: Synthesis and Transition Metal Chemistry.","Inorganic chemistry","2014","53","3","1370","1381","10.1021/ic402150k","","","0.71073","MoKα","","0.0951","0.0702","","","0.1866","0.208","","","","","","1.066","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337370","19.274","0.005","19.274","0.005","31.844","0.008","90","","90","","120","","10245","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H66 N3 P3 S3 -","- C78 H66 N3 P3 S3 -","- C468 H396 N18 P18 S18 -","6","0.333333","","Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.","Novel Trisphosphine Ligand Containing 1,3,5-Triazine Core, [2,4,6-C3N3{C6H4PPh2-p}3]: Synthesis and Transition Metal Chemistry.","Inorganic chemistry","2014","53","3","1370","1381","10.1021/ic402150k","","","0.71073","MoKα","","0.0627","0.0493","","","0.1329","0.142","","","","","","1.078","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337371","11.3827","0.0008","14.314","0.001","19.9079","0.0014","106.484","0.001","104.102","0.001","90.936","0.001","3003.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H42 Au3 Cl3 N3 P3 -","- C57 H42 Au3 Cl3 N3 P3 -","- C114 H84 Au6 Cl6 N6 P6 -","2","1","","Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.","Novel Trisphosphine Ligand Containing 1,3,5-Triazine Core, [2,4,6-C3N3{C6H4PPh2-p}3]: Synthesis and Transition Metal Chemistry.","Inorganic chemistry","2014","53","3","1370","1381","10.1021/ic402150k","","","0.71073","MoKα","","0.0532","0.038","","","0.0858","0.0919","","","","","","1.01","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337372","12.5403","0.0012","13.7369","0.0013","16.9325","0.0017","88.724","0.001","88.473","0.001","84.99","0.001","2904.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H42 Au3 Cl3 N3 P3 -","- C57 H42 Au3 Cl3 N3 P3 -","- C114 H84 Au6 Cl6 N6 P6 -","2","1","","Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.","Novel Trisphosphine Ligand Containing 1,3,5-Triazine Core, [2,4,6-C3N3{C6H4PPh2-p}3]: Synthesis and Transition Metal Chemistry.","Inorganic chemistry","2014","53","3","1370","1381","10.1021/ic402150k","","","0.71073","MoKα","","0.1059","0.0643","","","0.1513","0.1684","","","","","","0.974","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337373","20.302","0.002","20.302","0.002","46.497","0.005","90","","90","","120","","16597","3","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C114 H84 Cu3 I3 N6 P6 -","- C114 H84 Cu3 I3 N6 P6 -","- C684 H504 Cu18 I18 N36 P36 -","6","0.333333","","Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.","Novel Trisphosphine Ligand Containing 1,3,5-Triazine Core, [2,4,6-C3N3{C6H4PPh2-p}3]: Synthesis and Transition Metal Chemistry.","Inorganic chemistry","2014","53","3","1370","1381","10.1021/ic402150k","","","0.71073","MoKα","","0.114","0.0758","","","0.2022","0.2288","","","","","","1.097","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337374","27.517","0.006","29.404","0.006","26.16","0.008","90","","112.306","0.009","90","","19582","8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H114 Co1.67 K0 N9.5 O128.5 P4 W34.33 -","- C38 H114 Co1.667 N9.5 O128.5 P4 W34.333 -","- C152 H456 Co6.668 N38 O514 P16 W137.332 -","4","1","","Barats-Damatov, Delina; Shimon, Linda J. W.; Weiner, Lev; Schreiber, Roy E.; Jiménez-Lozano, Pablo; Poblet, Josep M.; de Graaf, Coen; Neumann, Ronny","Dicobalt-μ-oxo Polyoxometalate Compound, [(α2-P2W17O61Co)2O](14-): A Potent Species for Water Oxidation, C-H Bond Activation, and Oxygen Transfer.","Inorganic chemistry","2014","53","3","1779","1787","10.1021/ic402962c","","","0.71073","MoKα","","0.1671","0.0822","","","0.1725","0.2005","","","","","","0.914","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337375","10.742","0.002","11.593","0.002","18.237","0.004","93.15","0.03","93.05","0.03","97.94","0.03","2241.7","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H32 F0 N4 O0 Pd S0 -","- C44 H32 N4 Pd -","- C88 H64 N8 Pd2 -","2","1","","Corbo, Robert; Georgiou, Dayne C.; Wilson, David J. D.; Dutton, Jason L.","Reactions of [PhI(pyridine)2](2+) with Model Pd and Pt II/IV Redox Couples.","Inorganic chemistry","2014","53","3","1690","1698","10.1021/ic402836d","","","0.71073","MoKα","","0.1226","0.1137","","","0.2863","0.2918","","","","","","1.07","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337376","17.359","0.004","11.059","0.002","15.135","0.003","90","","90.08","0.03","90","","2905.5","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 F6 N4 O6 Pd S2 -","- C22 H20 F6 N4 O6 Pd S2 -","- C88 H80 F24 N16 O24 Pd4 S8 -","4","1","","Corbo, Robert; Georgiou, Dayne C.; Wilson, David J. D.; Dutton, Jason L.","Reactions of [PhI(pyridine)2](2+) with Model Pd and Pt II/IV Redox Couples.","Inorganic chemistry","2014","53","3","1690","1698","10.1021/ic402836d","","","0.71073","MoKα","","0.0393","0.0317","","","0.0624","0.0673","","","","","","1.127","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337377","11.136","0.002","11.325","0.002","18.711","0.004","90","","93.64","0.03","90","","2355","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18.5 H26 F3 N5.5 O3 Pd0.5 S -","- C18.5 H26 F3 N5.5 O3 Pd0.5 S -","- C74 H104 F12 N22 O12 Pd2 S4 -","4","1","","Corbo, Robert; Georgiou, Dayne C.; Wilson, David J. D.; Dutton, Jason L.","Reactions of [PhI(pyridine)2](2+) with Model Pd and Pt II/IV Redox Couples.","Inorganic chemistry","2014","53","3","1690","1698","10.1021/ic402836d","","","0.71073","MoKα","","0.076","0.0714","","","0.1921","0.1965","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337378","11.021","0.002","13.311","0.003","14.466","0.003","92.57","0.03","105.87","0.03","104.07","0.03","1965.9","0.8","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H36 Cl0 F6 N6 O6 Pt S2 -","- C38 H36 F6 N6 O6 Pt S2 -","- C76 H72 F12 N12 O12 Pt2 S4 -","2","1","","Corbo, Robert; Georgiou, Dayne C.; Wilson, David J. D.; Dutton, Jason L.","Reactions of [PhI(pyridine)2](2+) with Model Pd and Pt II/IV Redox Couples.","Inorganic chemistry","2014","53","3","1690","1698","10.1021/ic402836d","","","0.71073","MoKα","","0.0644","0.0504","","","0.1154","0.1227","","","","","","1.097","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337379","8.2453","0.0016","17.384","0.004","13.412","0.003","90","","103.46","0.03","90","","1869.6","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 F3 N3 O3 Pd S -","- C17 H16 F3 N3 O3 Pd S -","- C68 H64 F12 N12 O12 Pd4 S4 -","4","1","","Corbo, Robert; Georgiou, Dayne C.; Wilson, David J. D.; Dutton, Jason L.","Reactions of [PhI(pyridine)2](2+) with Model Pd and Pt II/IV Redox Couples.","Inorganic chemistry","2014","53","3","1690","1698","10.1021/ic402836d","","","0.71073","MoKα","","0.0588","0.0582","","","0.1602","0.1608","","","","","","1.212","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337380","30.97","0.006","7.18","0.0014","19.112","0.004","90","","91.77","0.03","90","","4247.8","1.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 F3 N4 O3 Pd S -","- C19 H21 F3 N4 O3 Pd S -","- C152 H168 F24 N32 O24 Pd8 S8 -","8","1","","Corbo, Robert; Georgiou, Dayne C.; Wilson, David J. D.; Dutton, Jason L.","Reactions of [PhI(pyridine)2](2+) with Model Pd and Pt II/IV Redox Couples.","Inorganic chemistry","2014","53","3","1690","1698","10.1021/ic402836d","","","0.71073","MoKα","","0.0388","0.0357","","","0.0961","0.0991","","","","","","1.083","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337381","17.882","0.004","20.815","0.004","13.062","0.003","90","","91.92","0.03","90","","4859.1","1.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 F3 N4 O3 Pt S -","- C21 H27 F3 N4 O3 Pt S -","- C168 H216 F24 N32 O24 Pt8 S8 -","8","2","","Corbo, Robert; Georgiou, Dayne C.; Wilson, David J. D.; Dutton, Jason L.","Reactions of [PhI(pyridine)2](2+) with Model Pd and Pt II/IV Redox Couples.","Inorganic chemistry","2014","53","3","1690","1698","10.1021/ic402836d","","","0.71073","MoKα","","0.0588","0.0543","","","0.1176","0.1202","","","","","","1.177","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337382","8.0532","0.0016","9.0874","0.0018","19.727","0.004","83.45","0.03","83.3","0.03","64.52","0.03","1291.1","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H18 F6 N4 O6 Pt S2 -","- C22 H18 F6 N4 O6 Pt S2 -","- C44 H36 F12 N8 O12 Pt2 S4 -","2","1","","Corbo, Robert; Georgiou, Dayne C.; Wilson, David J. D.; Dutton, Jason L.","Reactions of [PhI(pyridine)2](2+) with Model Pd and Pt II/IV Redox Couples.","Inorganic chemistry","2014","53","3","1690","1698","10.1021/ic402836d","","","0.71073","MoKα","","0.0231","0.0216","","","0.0517","0.0524","","","","","","1.043","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337383","13.557","0.003","14.316","0.003","20.976","0.004","89.32","0.03","78.53","0.03","86.67","0.03","3983","1.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C17.25 H16.25 Cl0.75 F3 N3 O3 Pt S -","- C17.25 H16.25 Cl0.75 F3 N3 O3 Pt S -","- C138 H130 Cl6 F24 N24 O24 Pt8 S8 -","8","4","","Corbo, Robert; Georgiou, Dayne C.; Wilson, David J. D.; Dutton, Jason L.","Reactions of [PhI(pyridine)2](2+) with Model Pd and Pt II/IV Redox Couples.","Inorganic chemistry","2014","53","3","1690","1698","10.1021/ic402836d","","","0.71073","MoKα","","0.0698","0.0522","","","0.1127","0.1188","","","","","","1.227","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337384","28.064","0.004","28.064","0.004","6.6762","0.0013","90","","90","","90","","5258.1","1.5","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C14.67 H12 Cl4 N2.67 Pd1.33 -","- C14.6667 H12 Cl4 N2.66667 Pd1.33333 -","- C176 H144 Cl48 N32 Pd16 -","12","1.5","","Corbo, Robert; Georgiou, Dayne C.; Wilson, David J. D.; Dutton, Jason L.","Reactions of [PhI(pyridine)2](2+) with Model Pd and Pt II/IV Redox Couples.","Inorganic chemistry","2014","53","3","1690","1698","10.1021/ic402836d","","","0.71073","MoKα","","0.0576","0.0435","","","0.0966","0.1023","","","","","","1.091","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337385","31.752","0.003","32.804","0.003","9.3184","0.0009","90","","90","","90","","9706","1.6","180","2","180","2","","","","","","","synthesis as described","6","F d d 2","F 2 -2d","43","","","","- C13 H37 Al Cu P3 S2 -","- C13 H37 Al Cu P3 S2 -","- C208 H592 Al16 Cu16 P48 S32 -","16","1","","Kischel, Marcus; Dornberg, Gregor; Krautscheid, Harald","Trialkylphosphine-Stabilized Copper(I) Dialkylaluminum(III) Ethanedithiolate Complexes: Single-Source Precursors and a Novel Modification of Copper Aluminum Disulfide.","Inorganic chemistry","2014","53","3","1614","1623","10.1021/ic402675w","","","0.71073","MoKα","","0.0661","0.0421","","","0.0686","0.0741","","","","","","0.915","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337386","13.5491","0.0015","13.9955","0.0013","16.0747","0.0018","64.164","0.008","68.421","0.008","66.996","0.008","2452.5","0.5","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-diethanido -tris(triisopropylphosphine)-tricopper(+1)-aluminium(+3)","","- C35 H81 Al Cu3 P3 S4 -","- C35 H81 Al Cu3 P3 S4 -","- C70 H162 Al2 Cu6 P6 S8 -","2","1","","Kischel, Marcus; Dornberg, Gregor; Krautscheid, Harald","Trialkylphosphine-Stabilized Copper(I) Dialkylaluminum(III) Ethanedithiolate Complexes: Single-Source Precursors and a Novel Modification of Copper Aluminum Disulfide.","Inorganic chemistry","2014","53","3","1614","1623","10.1021/ic402675w","","","0.71073","MoKα","","0.0729","0.0422","","","0.097","0.1062","","","","","","0.901","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337387","10.6765","0.0008","16.4983","0.001","11.7204","0.0009","90","","95.986","0.006","90","","2053.2","0.3","213","2","213","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-tetra(vinylido) -bis(triisopropylphosphine)-dicopper(+1)-dialuminium(+3)","","- C30 H62 Al2 Cu2 P2 S4 -","- C30 H62 Al2 Cu2 P2 S4 -","- C60 H124 Al4 Cu4 P4 S8 -","2","0.5","","Kischel, Marcus; Dornberg, Gregor; Krautscheid, Harald","Trialkylphosphine-Stabilized Copper(I) Dialkylaluminum(III) Ethanedithiolate Complexes: Single-Source Precursors and a Novel Modification of Copper Aluminum Disulfide.","Inorganic chemistry","2014","53","3","1614","1623","10.1021/ic402675w","","","0.71073","MoKα","","0.0378","0.0312","","","0.0783","0.0803","","","","","","1.048","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337388","8.75291","0.00034","12.0455","0.0004","13.3844","0.0005","66.073","0.003","78.3526","0.0026","84.3666","0.0027","1263.12","0.09","293","","293","","","","","","","","","6","P -1","-P 1","2","","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-tetra(2-methylpropan-2-ido) -bis(triisopropylphosphine)-dicopper(+1)-dialuminium(+3)","","- C38 H86 Al2 Cu2 P2 S4 -","- C38 H86 Al2 Cu2 P2 S4 -","- C38 H86 Al2 Cu2 P2 S4 -","1","0.5","","Kischel, Marcus; Dornberg, Gregor; Krautscheid, Harald","Trialkylphosphine-Stabilized Copper(I) Dialkylaluminum(III) Ethanedithiolate Complexes: Single-Source Precursors and a Novel Modification of Copper Aluminum Disulfide.","Inorganic chemistry","2014","53","3","1614","1623","10.1021/ic402675w","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.1413","","1.119","","","","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337389","12.0748","0.0011","14.3899","0.0013","19.191","0.002","96.368","0.008","91.008","0.008","112.984","0.007","3044.1","0.5","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C33 H87 Cu6 O1.5 P7 S6 -","- C33 H87 Cu6 O1.5 P7 S6 -","- C66 H174 Cu12 O3 P14 S12 -","2","1","","Kischel, Marcus; Dornberg, Gregor; Krautscheid, Harald","Trialkylphosphine-Stabilized Copper(I) Dialkylaluminum(III) Ethanedithiolate Complexes: Single-Source Precursors and a Novel Modification of Copper Aluminum Disulfide.","Inorganic chemistry","2014","53","3","1614","1623","10.1021/ic402675w","","","0.71073","MoKα","","0.0769","0.0506","","","0.1258","0.1364","","","","","","0.956","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337390","11.0435","0.0008","15.2761","0.0011","13.2147","0.0011","90","","107.84","0.006","90","","2122.1","0.3","180","2","180","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-tetraethanido -bis(triisopropylphosphine)-dicopper(+1)-dialuminium(+3)","","- C30 H70 Al2 Cu2 P2 S4 -","- C30 H70 Al2 Cu2 P2 S4 -","- C60 H140 Al4 Cu4 P4 S8 -","2","1","","Kischel, Marcus; Dornberg, Gregor; Krautscheid, Harald","Trialkylphosphine-Stabilized Copper(I) Dialkylaluminum(III) Ethanedithiolate Complexes: Single-Source Precursors and a Novel Modification of Copper Aluminum Disulfide.","Inorganic chemistry","2014","53","3","1614","1623","10.1021/ic402675w","","","0.71073","MoKα","","0.0445","0.0327","","","0.0661","0.0689","","","","","","0.922","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337391","8.4693","0.0012","11.733","0.0017","13.4863","0.0017","65.856","0.01","72.629","0.01","86.589","0.012","1164.1","0.3","213","2","213","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-tetra(propan-2-ido) -bis(triisopropylphosphine)-dicopper(+1)-dialuminium(+3)","","- C34 H78 Al2 Cu2 P2 S4 -","- C34 H78 Al2 Cu2 P2 S4 -","- C34 H78 Al2 Cu2 P2 S4 -","1","0.5","","Kischel, Marcus; Dornberg, Gregor; Krautscheid, Harald","Trialkylphosphine-Stabilized Copper(I) Dialkylaluminum(III) Ethanedithiolate Complexes: Single-Source Precursors and a Novel Modification of Copper Aluminum Disulfide.","Inorganic chemistry","2014","53","3","1614","1623","10.1021/ic402675w","","","0.71073","MoKα","","0.0382","0.0236","","","0.0502","0.0519","","","","","","0.815","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337392","10.8223","0.0012","16.9838","0.0013","14.2081","0.0016","90","","91.901","0.009","90","","2610.1","0.5","213","2","213","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H41 Al Cu P3 S2 -","- C15 H41 Al Cu P3 S2 -","- C60 H164 Al4 Cu4 P12 S8 -","4","1","","Kischel, Marcus; Dornberg, Gregor; Krautscheid, Harald","Trialkylphosphine-Stabilized Copper(I) Dialkylaluminum(III) Ethanedithiolate Complexes: Single-Source Precursors and a Novel Modification of Copper Aluminum Disulfide.","Inorganic chemistry","2014","53","3","1614","1623","10.1021/ic402675w","","","0.71073","MoKα","","0.0472","0.0316","","","0.0679","0.0706","","","","","","0.882","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337393","12.943","0.002","12.943","0.002","8.6752","0.0015","90","","90","","90","","1453.3","0.4","180","2","180","2","","","","","","","synthesis as described","6","I -4","I -4","82","","tetrakis(trimethylphosphine)-copper(+1)-1,2-dithiolatoethane -dimethanido-aluminate(+3)","","- C16 H46 Al Cu P4 S2 -","- C16 H46 Al Cu P4 S2 -","- C32 H92 Al2 Cu2 P8 S4 -","2","0.25","","Kischel, Marcus; Dornberg, Gregor; Krautscheid, Harald","Trialkylphosphine-Stabilized Copper(I) Dialkylaluminum(III) Ethanedithiolate Complexes: Single-Source Precursors and a Novel Modification of Copper Aluminum Disulfide.","Inorganic chemistry","2014","53","3","1614","1623","10.1021/ic402675w","","","0.71073","MoKα","","0.0293","0.0236","","","0.0535","0.0548","","","","","","0.973","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337394","17.6389","0.0014","15.8682","0.0013","15.6344","0.0012","90","","116.681","0.005","90","","3910.1","0.6","180","2","180","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-tetramethanido -bis(triisopropylphosphine)-dicopper(+1)-dialuminium(+3)","","- C26 H62 Al2 Cu2 P2 S4 -","- C26 H62 Al2 Cu2 P2 S4 -","- C104 H248 Al8 Cu8 P8 S16 -","4","0.5","","Kischel, Marcus; Dornberg, Gregor; Krautscheid, Harald","Trialkylphosphine-Stabilized Copper(I) Dialkylaluminum(III) Ethanedithiolate Complexes: Single-Source Precursors and a Novel Modification of Copper Aluminum Disulfide.","Inorganic chemistry","2014","53","3","1614","1623","10.1021/ic402675w","","","0.71073","MoKα","","0.0381","0.0277","","","0.0645","0.0665","","","","","","0.999","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337395","9.3435","0.0009","13.9117","0.0019","25.887","0.003","90","","90","","90","","3364.9","0.7","213","2","213","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","tetrakis(trimethylphosphine)-copper(+1)-1,2-dithiolatoethane -di(propan-2-ido)-aluminate(+3)","","- C20 H54 Al Cu P4 S2 -","- C20 H54 Al Cu P4 S2 -","- C80 H216 Al4 Cu4 P16 S8 -","4","1","","Kischel, Marcus; Dornberg, Gregor; Krautscheid, Harald","Trialkylphosphine-Stabilized Copper(I) Dialkylaluminum(III) Ethanedithiolate Complexes: Single-Source Precursors and a Novel Modification of Copper Aluminum Disulfide.","Inorganic chemistry","2014","53","3","1614","1623","10.1021/ic402675w","","","0.71073","MoKα","","0.1178","0.0803","","","0.1901","0.2035","","","","","","0.872","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337396","8.0342","0.0002","15.347","0.0004","16.4079","0.0004","112.865","0.001","98.183","0.001","101.17","0.001","1775.05","0.08","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C31 H29 Cl F6 Ir N5 O2 P -","- C31 H29 Cl F6 Ir N5 O2 P -","- C62 H58 Cl2 F12 Ir2 N10 O4 P2 -","2","1","","Chirdon, Danielle N.; Transue, Wesley J.; Kagalwala, Husain N.; Kaur, Aman; Maurer, Andrew B.; Pintauer, Tomislav; Bernhard, Stefan","[Ir(N^N^N)(C^N)L](+): a new family of luminophores combining tunability and enhanced photostability.","Inorganic chemistry","2014","53","3","1487","1499","10.1021/ic402411g","","","0.71073","MoKα","","0.0274","0.025","","","0.0892","0.0921","","","","","","0.78","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337397","10.0648","0.0004","10.7357","0.0004","27.2474","0.0011","81.559","0.002","80.336","0.002","64.769","0.002","2616.12","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis((2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl- 2')amido)tetramethyldisilazanido-N,N',N""-cerium sesqui(tetrahydrofuran)solvate","","- C58 H74 Ce N3 O1.5 Si2 -","- C58 H74 Ce N3 O1.5 Si2 -","- C116 H148 Ce2 N6 O3 Si4 -","2","1","","Bubrin, Denis; Niemeyer, Mark","Formation of Novel T-Shaped NNN Ligands via Rare-Earth Metal-Mediated Si-H Activation.","Inorganic chemistry","2014","53","3","1269","1271","10.1021/ic402941z","","","0.71073","MoKα","","0.0562","0.0463","","","0.1055","0.108","","","","","","1.459","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337398","10.3733","0.0015","48.263","0.007","10.9263","0.0016","90","","113.932","0.003","90","","4999.9","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis((2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl- 2')amido)tetramethyldisilazanido-N,N',N""-cerium hemi(n-heptane)solvate","","- C52 H62 Ce N3 Si2 -","- C52 H62 Ce N3 Si2 -","- C208 H248 Ce4 N12 Si8 -","4","1","","Bubrin, Denis; Niemeyer, Mark","Formation of Novel T-Shaped NNN Ligands via Rare-Earth Metal-Mediated Si-H Activation.","Inorganic chemistry","2014","53","3","1269","1271","10.1021/ic402941z","","","0.71073","MoKα","","0.1761","0.0641","","","0.1076","0.1367","","","","","","0.86","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337399","13.8928","0.0006","15.3039","0.0006","15.7594","0.0006","80.973","0.002","83.157","0.002","63.777","0.002","2963.9","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis((2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl- 2')amido)tetramethyldisilazanido-N,N',N""-praseodymium tris(tetrahydrofuran)solvate","","- C60 H78 N3 O2 Pr Si2 -","- C60 H78 N3 O2 Pr Si2 -","- C120 H156 N6 O4 Pr2 Si4 -","2","1","","Bubrin, Denis; Niemeyer, Mark","Formation of Novel T-Shaped NNN Ligands via Rare-Earth Metal-Mediated Si-H Activation.","Inorganic chemistry","2014","53","3","1269","1271","10.1021/ic402941z","","","0.71073","MoKα","","0.0558","0.0458","","","0.1063","0.1119","","","","","","1.431","","","","has coordinates,has disorder","179476","2020-10-21","18:00:00",""
"4337400","14.8503","0.0008","20.1989","0.0012","26.8045","0.0016","90","","93.525","0.004","90","","8025.1","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis((2,4,6,2'',4'',6''-hexaisopropyl-1,1':3';1''-terphenyl- 2')amino)tetramethyldisilazane","","- C76 H113 N3 Si2 -","- C76 H113 N3 Si2 -","- C304 H452 N12 Si8 -","4","1","","Bubrin, Denis; Niemeyer, Mark","Formation of Novel T-Shaped NNN Ligands via Rare-Earth Metal-Mediated Si-H Activation.","Inorganic chemistry","2014","53","3","1269","1271","10.1021/ic402941z","","","0.71073","MoKα","","0.1548","0.0578","","","0.1207","0.1482","","","","","","0.913","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337401","13.232","0.003","16.457","0.004","16.928","0.003","90","","91.144","0.016","90","","3685.5","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(tetramethyldisilazanido)bis(tetrahydrofuran)cerium","","- C20 H58 Ce N3 O2 Si6 -","- C20 H58 Ce N3 O2 Si6 -","- C80 H232 Ce4 N12 O8 Si24 -","4","1","","Bubrin, Denis; Niemeyer, Mark","Formation of Novel T-Shaped NNN Ligands via Rare-Earth Metal-Mediated Si-H Activation.","Inorganic chemistry","2014","53","3","1269","1271","10.1021/ic402941z","","","0.71073","MoKα","","0.0515","0.0416","","","0.1058","0.1089","","","","","","0.967","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337402","13.242","0.002","16.456","0.003","16.928","0.002","90","","91.188","0.012","90","","3688","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(tetramethyldisilazanido)bis(tetrahydrofuran)praseodymium","","- C20 H58 N3 O2 Pr Si6 -","- C20 H58 N3 O2 Pr Si6 -","- C80 H232 N12 O8 Pr4 Si24 -","4","1","","Bubrin, Denis; Niemeyer, Mark","Formation of Novel T-Shaped NNN Ligands via Rare-Earth Metal-Mediated Si-H Activation.","Inorganic chemistry","2014","53","3","1269","1271","10.1021/ic402941z","","","0.71073","MoKα","","0.0368","0.0315","","","0.084","0.0854","","","","","","1.04","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337403","10.477","0.008","20.632","0.013","10.772","0.007","90","","103.96","0.011","90","","2260","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 B F2 N4 O2 -","- C26 H23 B F2 N4 O2 -","- C104 H92 B4 F8 N16 O8 -","4","1","","Madhu, Sheri; Ravikanth, Mangalampalli","Boron-dipyrromethene based reversible and reusable selective chemosensor for fluoride detection.","Inorganic chemistry","2014","53","3","1646","1653","10.1021/ic402767j","","","0.71075","MoKα","","0.19","0.1158","","","0.294","0.3965","","","","","","1.219","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337404","7.8661","0.0015","11.812","0.0013","13.031","0.0014","87.294","0.012","77.555","0.009","86.783","0.016","1179.7","0.3","299","2","299","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H20 F3 N4 O10 Ru S -","- C18 H20 F3 N4 O10 Ru S -","- C36 H40 F6 N8 O20 Ru2 S2 -","2","1","","Staehle, Robert; Tong, Lianpeng; Wang, Lei; Duan, Lele; Fischer, Andreas; Ahlquist, Mårten S G; Sun, Licheng; Rau, Sven","Water Oxidation Catalyzed by Mononuclear Ruthenium Complexes with a 2,2'-Bipyridine-6,6'-dicarboxylate (bda) Ligand: How Ligand Environment Influences the Catalytic Behavior.","Inorganic chemistry","2014","53","3","1307","1319","10.1021/ic401701z","","","0.71073","MoKα","","0.0478","0.0311","","","0.0605","0.0662","","","","","","1.024","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337405","10.902","0.0006","10.183","0.001","18.918","0.0013","90","","99.319","0.006","90","","2072.5","0.3","299","2","299","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Cl N4 O10 Ru -","- C17 H18 Cl N4 O10 Ru -","- C68 H72 Cl4 N16 O40 Ru4 -","4","1","","Staehle, Robert; Tong, Lianpeng; Wang, Lei; Duan, Lele; Fischer, Andreas; Ahlquist, Mårten S G; Sun, Licheng; Rau, Sven","Water Oxidation Catalyzed by Mononuclear Ruthenium Complexes with a 2,2'-Bipyridine-6,6'-dicarboxylate (bda) Ligand: How Ligand Environment Influences the Catalytic Behavior.","Inorganic chemistry","2014","53","3","1307","1319","10.1021/ic401701z","","","0.71073","MoKα","","0.0431","0.0276","","","0.0602","0.0663","","","","","","1.039","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337406","6.5493","0.0011","7.5664","0.0019","10.749","0.003","104.83","0.02","94.614","0.018","111.186","0.019","471.2","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H20 Fe N14 O8 -","- C6 H20 Fe N14 O8 -","- C6 H20 Fe N14 O8 -","1","0.5","","Naik, Anil D.; Robeyns, Koen; Meunier, Christophe F.; Léonard, Alexandre F; Rotaru, Aurelian; Tinant, Bernard; Filinchuk, Yaroslav; Su, Bao Lian; Garcia, Yann","Selective and Reusable Iron(II)-Based Molecular Sensor for the Vapor-Phase Detection of Alcohols.","Inorganic chemistry","2014","53","3","1263","1265","10.1021/ic402816a","","","0.71073","MoKα","","0.0632","0.059","","","0.1679","0.1698","","","","","","1.237","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337407","18.6631","0.0014","24.0308","0.0018","10.9921","0.0008","90","","90","","90","","4929.8","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H81 N2 O3 Si2 Yb -","- C46 H81 N2 O3 Si2 Yb -","- C184 H324 N8 O12 Si8 Yb4 -","4","1","","Basalov, Ivan V.; Roşca, Sorin Claudiu; Lyubov, Dmitry M.; Selikhov, Alexander N.; Fukin, Georgy K.; Sarazin, Yann; Carpentier, Jean-François; Trifonov, Alexander A.","Divalent heteroleptic ytterbium complexes - effective catalysts for intermolecular styrene hydrophosphination and hydroamination.","Inorganic chemistry","2014","53","3","1654","1661","10.1021/ic4027859","","","0.71073","MoKα","","0.0733","0.0415","","","0.0722","0.0787","","","","","","0.978","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337408","10.3636","0.0006","17.943","0.001","20.4406","0.0011","79.836","0.002","88.185","0.002","87.923","0.002","3737.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H59 N3 O2 Si2 Yb -","- C34 H59 N3 O2 Si2 Yb -","- C136 H236 N12 O8 Si8 Yb4 -","4","2","","Basalov, Ivan V.; Roşca, Sorin Claudiu; Lyubov, Dmitry M.; Selikhov, Alexander N.; Fukin, Georgy K.; Sarazin, Yann; Carpentier, Jean-François; Trifonov, Alexander A.","Divalent heteroleptic ytterbium complexes - effective catalysts for intermolecular styrene hydrophosphination and hydroamination.","Inorganic chemistry","2014","53","3","1654","1661","10.1021/ic4027859","","","0.71073","MoKα","","0.041","0.0298","","","0.0652","0.0674","","","","","","1.01","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337409","9.383","0.0003","12.5151","0.0005","34.5743","0.0013","90","","90","","90","","4060","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H66 N2 O Si2 Yb -","- C38 H66 N2 O Si2 Yb -","- C152 H264 N8 O4 Si8 Yb4 -","4","1","","Basalov, Ivan V.; Roşca, Sorin Claudiu; Lyubov, Dmitry M.; Selikhov, Alexander N.; Fukin, Georgy K.; Sarazin, Yann; Carpentier, Jean-François; Trifonov, Alexander A.","Divalent heteroleptic ytterbium complexes - effective catalysts for intermolecular styrene hydrophosphination and hydroamination.","Inorganic chemistry","2014","53","3","1654","1661","10.1021/ic4027859","","","0.71073","MoKα","","0.0448","0.0356","","","0.0725","0.0749","","","","","","1.039","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337410","7.4936","0.0004","7.5769","0.0003","8.2308","0.0004","77.881","0.004","84.744","0.004","82.716","0.004","452.21","0.04","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- H2 I3 O9 Rb -","- H2 I3 O9 Rb -","- H4 I6 O18 Rb2 -","2","2","","Xu, Xiang; Yang, Bing-Ping; Huang, Chao; Mao, Jiang-Gao","Explorations of New Second-Order Nonlinear Optical Materials in the Ternary Rubidium Iodate System: Noncentrosymmetric β-RbIO3(HIO3)2 and Centrosymmetric Rb3(IO3)3(I2O5)(HIO3)4(H2O).","Inorganic chemistry","2014","53","3","1756","1763","10.1021/ic4028942","","","0.71073","MoKα","","0.0294","0.0269","","","0.0543","0.0559","","","","","","0.977","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337411","8.5195","0.0003","25.5012","0.0007","13.3874","0.0007","90","","111.053","0.004","90","","2714.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H6 I9 O27 Rb3 -","- H6 I9 O27 Rb3 -","- H24 I36 O108 Rb12 -","4","1","","Xu, Xiang; Yang, Bing-Ping; Huang, Chao; Mao, Jiang-Gao","Explorations of New Second-Order Nonlinear Optical Materials in the Ternary Rubidium Iodate System: Noncentrosymmetric β-RbIO3(HIO3)2 and Centrosymmetric Rb3(IO3)3(I2O5)(HIO3)4(H2O).","Inorganic chemistry","2014","53","3","1756","1763","10.1021/ic4028942","","","0.71073","MoKα","","0.0384","0.0324","","","0.0666","0.0706","","","","","","1.057","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337412","12.2154","0.0017","17.233","0.003","14.038","0.002","90","","101.582","0.002","90","","2894.9","0.8","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 N2 O3 Sn -","- C37 H30 N2 O3 Sn -","- C148 H120 N8 O12 Sn4 -","4","1","","Yamamura, Masaki; Albrecht, Marcel; Albrecht, Markus; Nishimura, Yoshinobu; Arai, Tatsuo; Nabeshima, Tatsuya","Red/Near-infrared luminescence tuning of group-14 element complexes of dipyrrins based on a central atom.","Inorganic chemistry","2014","53","3","1355","1360","10.1021/ic402116j","","","0.71073","MoKα","","0.0383","0.0314","","","0.0732","0.0792","","","","","","1.087","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337413","10.649","0.002","11.237","0.002","12.325","0.002","115.032","0.002","90.514","0.002","110.193","0.002","1233.2","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 Ge N2 O2 -","- C33 H22 Ge N2 O2 -","- C66 H44 Ge2 N4 O4 -","2","1","","Yamamura, Masaki; Albrecht, Marcel; Albrecht, Markus; Nishimura, Yoshinobu; Arai, Tatsuo; Nabeshima, Tatsuya","Red/Near-infrared luminescence tuning of group-14 element complexes of dipyrrins based on a central atom.","Inorganic chemistry","2014","53","3","1355","1360","10.1021/ic402116j","","","0.71073","MoKα","","0.0241","0.0231","","","0.0629","0.0634","","","","","","1.05","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337414","14.7748","0.0003","21.881","0.0005","24.442","0.0005","73.209","0.002","82.452","0.002","87.043","0.002","7498.6","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C155 H151 Mo4 N O34.5 P3 -","- C151.3 H112 Mo4 N O33.1 P3 -","- C302.6 H224 Mo8 N2 O66.2 P6 -","2","1","","McCormick, Laura J.; Abrahams, Brendan F.; Boughton, Berin A.; Grannas, Martin J.; Hudson, Timothy A.; Robson, Richard","Synthesis, Structure and Cation-Binding Properties of Some [4 + 4] Metallocyclic MO2(2+) (M = Mo or W) Derivatives of 9-Phenyl-2,3,7-trihydroxyfluor-6-one.","Inorganic chemistry","2014","53","3","1721","1728","10.1021/ic402860r","","","1.54184","CuKα","","0.0949","0.0712","","","0.2253","0.2413","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337415","14.7533","0.0011","21.8439","0.0016","24.5355","0.0017","73.335","0.001","81.164","0.002","86.668","0.001","7484.2","0.9","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C152 H145 N O34.5 P3 W4 -","- C150.761 H125.943 N O34.381 P3 W4 -","- C301.522 H251.886 N2 O68.762 P6 W8 -","2","1","","McCormick, Laura J.; Abrahams, Brendan F.; Boughton, Berin A.; Grannas, Martin J.; Hudson, Timothy A.; Robson, Richard","Synthesis, Structure and Cation-Binding Properties of Some [4 + 4] Metallocyclic MO2(2+) (M = Mo or W) Derivatives of 9-Phenyl-2,3,7-trihydroxyfluor-6-one.","Inorganic chemistry","2014","53","3","1721","1728","10.1021/ic402860r","","","0.71073","MoKα","","0.1055","0.0739","","","0.2047","0.2204","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337416","14.7679","0.0007","22.1004","0.0011","24.4164","0.0011","72.927","0.004","82.588","0.004","87.114","0.004","7553.5","0.6","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C157.5 H135 O36 P4 W4 -","- C157.65 H108 O36.35 P4 W4 -","- C315.3 H216 O72.7 P8 W8 -","2","1","","McCormick, Laura J.; Abrahams, Brendan F.; Boughton, Berin A.; Grannas, Martin J.; Hudson, Timothy A.; Robson, Richard","Synthesis, Structure and Cation-Binding Properties of Some [4 + 4] Metallocyclic MO2(2+) (M = Mo or W) Derivatives of 9-Phenyl-2,3,7-trihydroxyfluor-6-one.","Inorganic chemistry","2014","53","3","1721","1728","10.1021/ic402860r","","","1.54184","CuKα","","0.162","0.1181","","","0.333","0.3514","","","","","","1.128","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337417","18.8383","0.0012","20.1833","0.0014","22.3973","0.0015","87.328","0.001","88.31","0.001","66.96","0.001","7827.5","0.9","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C161.5 H174 Mo4 N2 O35.5 P2 -","- C161.598 H147.43 Mo4 N2 O35.436 P2 -","- C323.196 H294.86 Mo8 N4 O70.872 P4 -","2","1","","McCormick, Laura J.; Abrahams, Brendan F.; Boughton, Berin A.; Grannas, Martin J.; Hudson, Timothy A.; Robson, Richard","Synthesis, Structure and Cation-Binding Properties of Some [4 + 4] Metallocyclic MO2(2+) (M = Mo or W) Derivatives of 9-Phenyl-2,3,7-trihydroxyfluor-6-one.","Inorganic chemistry","2014","53","3","1721","1728","10.1021/ic402860r","","","0.71073","MoKα","","0.1467","0.0791","","","0.2043","0.2276","","","","","","0.984","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337418","18.8066","0.0004","21.1275","0.0004","21.7979","0.0005","90.18","0.002","109.883","0.002","92.257","0.002","8137.2","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C170 H156 As3 Mo4 N O34 -","- C170.14 H132 As3 Mo4 N O34.14 -","- C340.28 H264 As6 Mo8 N2 O68.28 -","2","1","","McCormick, Laura J.; Abrahams, Brendan F.; Boughton, Berin A.; Grannas, Martin J.; Hudson, Timothy A.; Robson, Richard","Synthesis, Structure and Cation-Binding Properties of Some [4 + 4] Metallocyclic MO2(2+) (M = Mo or W) Derivatives of 9-Phenyl-2,3,7-trihydroxyfluor-6-one.","Inorganic chemistry","2014","53","3","1721","1728","10.1021/ic402860r","","","1.54184","CuKα","","0.1187","0.0872","","","0.2489","0.2664","","","","","","1.015","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337419","18.4245","0.0005","20.6396","0.0007","21.924","0.0008","85.629","0.003","85.911","0.003","65.71","0.003","7569.7","0.5","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C159 H163 As2 N2 O32.5 W4 -","- C155.13 H121 As2 N2 O32.72 W4 -","- C310.26 H242 As4 N4 O65.44 W8 -","2","1","","McCormick, Laura J.; Abrahams, Brendan F.; Boughton, Berin A.; Grannas, Martin J.; Hudson, Timothy A.; Robson, Richard","Synthesis, Structure and Cation-Binding Properties of Some [4 + 4] Metallocyclic MO2(2+) (M = Mo or W) Derivatives of 9-Phenyl-2,3,7-trihydroxyfluor-6-one.","Inorganic chemistry","2014","53","3","1721","1728","10.1021/ic402860r","","","1.54184","CuKα","","0.1558","0.0817","","","0.2075","0.2348","","","","","","0.916","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337420","18.958","0.0003","21.1324","0.0006","22.6782","0.0004","75.049","0.002","82.216","0.002","63.834","0.002","7875.9","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C164.5 H194 Mo4 N4 O33.5 P2 -","- C164.72 H184.41 Mo4 N4 O33.77 P2 -","- C329.44 H368.82 Mo8 N8 O67.54 P4 -","2","1","","McCormick, Laura J.; Abrahams, Brendan F.; Boughton, Berin A.; Grannas, Martin J.; Hudson, Timothy A.; Robson, Richard","Synthesis, Structure and Cation-Binding Properties of Some [4 + 4] Metallocyclic MO2(2+) (M = Mo or W) Derivatives of 9-Phenyl-2,3,7-trihydroxyfluor-6-one.","Inorganic chemistry","2014","53","3","1721","1728","10.1021/ic402860r","","","1.54184","CuKα","","0.0864","0.0591","","","0.1536","0.1641","","","","","","0.966","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337421","18.4066","0.0004","20.8649","0.0002","21.3598","0.0005","88.312","0.001","65.145","0.002","83.726","0.001","7397.6","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C160.5 H177 N4 O29 P2 W4 -","- C150.06 H162.125 N3.786 O29.09 P1.998 W4 -","- C300.12 H324.25 N7.572 O58.18 P3.996 W8 -","2","1","","McCormick, Laura J.; Abrahams, Brendan F.; Boughton, Berin A.; Grannas, Martin J.; Hudson, Timothy A.; Robson, Richard","Synthesis, Structure and Cation-Binding Properties of Some [4 + 4] Metallocyclic MO2(2+) (M = Mo or W) Derivatives of 9-Phenyl-2,3,7-trihydroxyfluor-6-one.","Inorganic chemistry","2014","53","3","1721","1728","10.1021/ic402860r","","","1.54184","CuKα","","0.0769","0.0612","","","0.1869","0.1964","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337422","26.8568","0.0004","30.8169","0.0004","17.4524","0.0003","90","","94.508","0.002","90","","14399.7","0.4","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C139.75 H195.5 Mo4 N4 O36 -","- C135.45 H174.8 Mo4 N4 O31.82 -","- C541.8 H699.2 Mo16 N16 O127.28 -","4","1","","McCormick, Laura J.; Abrahams, Brendan F.; Boughton, Berin A.; Grannas, Martin J.; Hudson, Timothy A.; Robson, Richard","Synthesis, Structure and Cation-Binding Properties of Some [4 + 4] Metallocyclic MO2(2+) (M = Mo or W) Derivatives of 9-Phenyl-2,3,7-trihydroxyfluor-6-one.","Inorganic chemistry","2014","53","3","1721","1728","10.1021/ic402860r","","","1.54184","CuKα","","0.0963","0.0812","","","0.2392","0.2517","","","","","","0.96","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337423","6.047","0.002","10.171","0.002","25.288","0.006","85.675","0.009","83.516","0.009","76.627","0.009","1501.5","0.7","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","11-(4-Diphenylaminophenyl)dipyrido[3,2-a:2',3'-c]phenazine","","- C37 H24 Cl3 N5 -","- C37 H24 Cl3 N5 -","- C74 H48 Cl6 N10 -","2","1","","Larsen, Christopher B.; van der Salm, Holly; Clark, Charlotte A.; Elliott, Anastasia B. S.; Fraser, Michael G.; Horvath, Raphael; Lucas, Nigel T.; Sun, Xue-Zhong; George, Michael W.; Gordon, Keith C.","Intraligand charge-transfer excited States in re(i) complexes with donor-substituted dipyridophenazine ligands.","Inorganic chemistry","2014","53","3","1339","1354","10.1021/ic402082m","","","0.71073","MoKα","","0.1048","0.0501","","","0.1006","0.1199","","","","","","1.006","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337424","6.892","0.001","10.453","0.002","16.852","0.002","89.638","0.007","85.067","0.006","73.619","0.006","1160.3","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","11-(4-Dimethylaminophenyl)dipyrido[3,2-a:2',3'-c]phenazine","","- C27 H20 Cl3 N5 -","- C27 H20 Cl3 N5 -","- C54 H40 Cl6 N10 -","2","1","","Larsen, Christopher B.; van der Salm, Holly; Clark, Charlotte A.; Elliott, Anastasia B. S.; Fraser, Michael G.; Horvath, Raphael; Lucas, Nigel T.; Sun, Xue-Zhong; George, Michael W.; Gordon, Keith C.","Intraligand charge-transfer excited States in re(i) complexes with donor-substituted dipyridophenazine ligands.","Inorganic chemistry","2014","53","3","1339","1354","10.1021/ic402082m","","","0.71073","MoKα","","0.0955","0.0614","","","0.1296","0.1484","","","","","","1.06","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337425","21.15","0.004","18.85","0.004","26.2","0.005","90","","102.9","0.03","90","","10182","4","293","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","SNU9","","","- C40 H24 N2 O10 Zn2 -","- C40 H24 N2 O10 Zn2 -","- C320 H192 N16 O80 Zn16 -","8","1","","Bon, Volodymyr; Senkovska, Irena; Wallacher, Dirk; Többens, Daniel M; Zizak, Ivo; Feyerherm, Ralf; Mueller, Uwe; Kaskel, Stefan","In Situ Observation of Gating Phenomena in the Flexible Porous Coordination Polymer Zn2(BPnDC)2(bpy) (SNU-9) in a Combined Diffraction and Gas Adsorption Experiment.","Inorganic chemistry","2014","53","3","1513","1520","10.1021/ic4024844","","x-ray","0.88561","synchrotron","","0.074","0.0724","","","0.2126","0.2172","","","","","","1.144","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337426","26.23","0.005","10.68","0.002","27.04","0.005","90","","104.5","0.03","90","","7334","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","SNU-9","","","- C40 H24 N2 O10 Zn2 -","- C40 H24 N2 O10 Zn2 -","- C320 H192 N16 O80 Zn16 -","8","1","","Bon, Volodymyr; Senkovska, Irena; Wallacher, Dirk; Többens, Daniel M; Zizak, Ivo; Feyerherm, Ralf; Mueller, Uwe; Kaskel, Stefan","In Situ Observation of Gating Phenomena in the Flexible Porous Coordination Polymer Zn2(BPnDC)2(bpy) (SNU-9) in a Combined Diffraction and Gas Adsorption Experiment.","Inorganic chemistry","2014","53","3","1513","1520","10.1021/ic4024844","","x-ray","0.88561","synchrotron","","0.0562","0.0534","","","0.134","0.1369","","","","","","1.15","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337427","14.451","0.0009","18.3763","0.0011","27.5849","0.0017","90","","90.853","0.001","90","","7324.5","0.8","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C142 H194 Cl8 F12 N4 O19 P4 Pt2 Rh4 S8 -","- C114 H124 Cl8 F12 N4 O12 P4 Pt2 Rh4 S8 -","- C228 H248 Cl16 F24 N8 O24 P8 Pt4 Rh8 S16 -","2","0.5","","Ferrer, Montserrat; Gómez-Bautista, Daniel; Gutiérrez, Albert; Miranda, José R; Orduña-Marco, Guillermo; Oro, Luis A.; Pérez-Torrente, Jesús J; Rossell, Oriol; García-Orduña, Pilar; Lahoz, Fernando J.","Dinuclear Pyridine-4-thiolate-Bridged Rhodium and Iridium Complexes as Ditopic Building Blocks in Molecular Architecture.","Inorganic chemistry","2014","53","3","1699","1711","10.1021/ic402838y","","","0.71073","MoKα","","0.0775","0.048","","","0.1227","0.1336","","","","","","1.03","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337428","39.803","0.004","16.5686","0.0016","28.098","0.003","90","","115.516","0.002","90","","16723","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C76.5 H107.5 B2 Cl2 F8 N4 Rh6 S4 -","- C69 H88.36 B2 Cl2 F8 N4 Rh6 S4 -","- C552 H706.88 B16 Cl16 F64 N32 Rh48 S32 -","8","1","","Ferrer, Montserrat; Gómez-Bautista, Daniel; Gutiérrez, Albert; Miranda, José R; Orduña-Marco, Guillermo; Oro, Luis A.; Pérez-Torrente, Jesús J; Rossell, Oriol; García-Orduña, Pilar; Lahoz, Fernando J.","Dinuclear Pyridine-4-thiolate-Bridged Rhodium and Iridium Complexes as Ditopic Building Blocks in Molecular Architecture.","Inorganic chemistry","2014","53","3","1699","1711","10.1021/ic402838y","","","0.6934","synchrotron","","0.1451","0.1028","","","0.3046","0.3229","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337429","15.4041","0.0004","26.9046","0.0007","32.7428","0.0008","90","","90","","90","","13570","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 N4 O Yb -","- C36 H48 N4 O Yb -","- C576 H768 N64 O16 Yb16 -","16","4","","Tolpygin, Aleksei O.; Cherkasov, Anton V.; Fukin, Georgii K.; Trifonov, Alexander A.","Reversible Switching of Coordination Mode of ansa bis(Amidinate) Ligand in Ytterbium Complexes Driven by Oxidation State of the Metal Atom.","Inorganic chemistry","2014","53","3","1537","1543","10.1021/ic402530w","","","0.71073","MoKα","","0.0606","0.046","","","0.0939","0.099","","","","","","1.021","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337430","12.3731","0.0007","15.9925","0.0009","19.7268","0.0011","86.857","0.001","78.881","0.001","82.954","0.001","3799.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H56.5 Cl N4 O2.5 Yb -","- C39.5 H56.5 Cl N4 O2.5 Yb -","- C158 H226 Cl4 N16 O10 Yb4 -","4","2","","Tolpygin, Aleksei O.; Cherkasov, Anton V.; Fukin, Georgii K.; Trifonov, Alexander A.","Reversible Switching of Coordination Mode of ansa bis(Amidinate) Ligand in Ytterbium Complexes Driven by Oxidation State of the Metal Atom.","Inorganic chemistry","2014","53","3","1537","1543","10.1021/ic402530w","","","0.71073","MoKα","","0.0644","0.0374","","","0.0805","0.0873","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337431","12.0273","0.0005","12.6115","0.0006","13.6486","0.0006","110.18","0.001","108.3","0.001","94.12","0.001","1806.79","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H94 N8 S2 Yb2 -","- C78 H94 N8 S2 Yb2 -","- C78 H94 N8 S2 Yb2 -","1","0.5","","Tolpygin, Aleksei O.; Cherkasov, Anton V.; Fukin, Georgii K.; Trifonov, Alexander A.","Reversible Switching of Coordination Mode of ansa bis(Amidinate) Ligand in Ytterbium Complexes Driven by Oxidation State of the Metal Atom.","Inorganic chemistry","2014","53","3","1537","1543","10.1021/ic402530w","","","0.71073","MoKα","","0.0166","0.0159","","","0.0406","0.0409","","","","","","1.063","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337432","10.37278","0.00016","16.566","0.0003","15.0527","0.0002","90","","96.0749","0.0015","90","","2572.06","0.07","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 Cl2 F5 N2 O Pt -","- C29 H17 Cl2 F5 N2 O Pt -","- C116 H68 Cl8 F20 N8 O4 Pt4 -","4","1","","Baya, Miguel; Belío, Ursula; Martín, Antonio","Synthesis, characterization, and computational study of complexes containing Pt···H hydrogen bonding interactions.","Inorganic chemistry","2014","53","1","189","200","10.1021/ic402036p","","","0.71073","MoKα","","0.0246","0.0217","","","0.0515","0.0523","","","","","","1.048","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337433","10.9721","0.0002","15.5286","0.0002","16.6883","0.0002","90","","107.556","0.002","90","","2710.94","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Cl3 F5 N2 O Pt -","- C30 H18 Cl3 F5 N2 O Pt -","- C120 H72 Cl12 F20 N8 O4 Pt4 -","4","1","","Baya, Miguel; Belío, Ursula; Martín, Antonio","Synthesis, characterization, and computational study of complexes containing Pt···H hydrogen bonding interactions.","Inorganic chemistry","2014","53","1","189","200","10.1021/ic402036p","","","0.71073","MoKα","","0.0191","0.0174","","","0.0424","0.0432","","","","","","1.059","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337434","14.3558","0.0002","14.5503","0.0002","17.2806","0.0003","78.6088","0.0014","81.501","0.0014","80.2842","0.0014","3463.18","0.09","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C73.87 H67.75 Cl3.75 F10 Li N5 O2 Pt2 -","- C73.88 H67.76 Cl3.75 F10 Li N5 O2 Pt2 -","- C147.76 H135.52 Cl7.5 F20 Li2 N10 O4 Pt4 -","2","1","","Baya, Miguel; Belío, Ursula; Martín, Antonio","Synthesis, characterization, and computational study of complexes containing Pt···H hydrogen bonding interactions.","Inorganic chemistry","2014","53","1","189","200","10.1021/ic402036p","","","0.71073","MoKα","","0.0402","0.029","","","0.0796","0.0813","","","","","","1.04","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337435","13.8434","0.0001","14.2761","0.0002","18.7328","0.0002","79.406","0.001","86.245","0.001","81.744","0.001","3598.43","0.07","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H72 Cl4 F10 Li N5 O2 Pt2 -","- C76 H72 Cl4 F10 Li N5 O2 Pt2 -","- C152 H144 Cl8 F20 Li2 N10 O4 Pt4 -","2","1","","Baya, Miguel; Belío, Ursula; Martín, Antonio","Synthesis, characterization, and computational study of complexes containing Pt···H hydrogen bonding interactions.","Inorganic chemistry","2014","53","1","189","200","10.1021/ic402036p","","","0.71073","MoKα","","0.0396","0.0276","","","0.0745","0.0769","","","","","","1.024","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337436","15.1861","0.0002","21.3417","0.0002","21.2958","0.0003","90","","98.782","0.001","90","","6820.99","0.15","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C75 H70 Cl2 F10 Li N5 O2 Pt2 -","- C75 H68 Cl2 F10 Li N5 O2 Pt2 -","- C300 H272 Cl8 F40 Li4 N20 O8 Pt8 -","4","1","","Baya, Miguel; Belío, Ursula; Martín, Antonio","Synthesis, characterization, and computational study of complexes containing Pt···H hydrogen bonding interactions.","Inorganic chemistry","2014","53","1","189","200","10.1021/ic402036p","","","0.71073","MoKα","","0.0502","0.0302","","","0.0537","0.055","","","","","","1.024","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337437","14.4588","0.0014","10.9079","0.0009","21.423","0.002","90","","101.441","0.002","90","","3311.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Au Fe N7 -","- C15 H10 Au Fe N7 -","- C120 H80 Au8 Fe8 N56 -","8","1","","Yan, Zheng; Ni, Zhao-Ping; Guo, Fu-Sheng; Li, Jin-Yan; Chen, Yan-Chong; Liu, Jun-Liang; Lin, Wei-Quan; Aravena, Daniel; Ruiz, Eliseo; Tong, Ming-Liang","Spin-crossover behavior in two new supramolecular isomers.","Inorganic chemistry","2014","53","1","201","208","10.1021/ic402096s","","","0.71073","MoKα","","0.089","0.0524","","","0.1075","0.127","","","","","","0.991","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337438","14.573","0.0018","11.0366","0.0012","21.694","0.003","90","","101.854","0.003","90","","3414.8","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Au Fe N7 -","- C15 H10 Au Fe N7 -","- C120 H80 Au8 Fe8 N56 -","8","1","","Yan, Zheng; Ni, Zhao-Ping; Guo, Fu-Sheng; Li, Jin-Yan; Chen, Yan-Chong; Liu, Jun-Liang; Lin, Wei-Quan; Aravena, Daniel; Ruiz, Eliseo; Tong, Ming-Liang","Spin-crossover behavior in two new supramolecular isomers.","Inorganic chemistry","2014","53","1","201","208","10.1021/ic402096s","","","0.71073","MoKα","","0.1136","0.0698","","","0.1464","0.1655","","","","","","1.062","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337439","14.5393","0.0019","11.0615","0.0015","21.854","0.003","90","","102.012","0.003","90","","3437.7","0.8","373","2","373","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Au Fe N7 -","- C15 H10 Au Fe N7 -","- C120 H80 Au8 Fe8 N56 -","8","1","","Yan, Zheng; Ni, Zhao-Ping; Guo, Fu-Sheng; Li, Jin-Yan; Chen, Yan-Chong; Liu, Jun-Liang; Lin, Wei-Quan; Aravena, Daniel; Ruiz, Eliseo; Tong, Ming-Liang","Spin-crossover behavior in two new supramolecular isomers.","Inorganic chemistry","2014","53","1","201","208","10.1021/ic402096s","","","0.71073","MoKα","","0.155","0.0704","","","0.1461","0.2244","","","","","","1.034","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337440","9.3277","0.0016","10.1541","0.0013","10.8491","0.0017","106.128","0.004","102.779","0.005","112.248","0.004","849.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Au Fe N7 O -","- C15 H10 Au Fe N7 O -","- C30 H20 Au2 Fe2 N14 O2 -","2","1","","Yan, Zheng; Ni, Zhao-Ping; Guo, Fu-Sheng; Li, Jin-Yan; Chen, Yan-Chong; Liu, Jun-Liang; Lin, Wei-Quan; Aravena, Daniel; Ruiz, Eliseo; Tong, Ming-Liang","Spin-crossover behavior in two new supramolecular isomers.","Inorganic chemistry","2014","53","1","201","208","10.1021/ic402096s","","","0.71073","MoKα","","0.0974","0.0711","","","0.1776","0.1924","","","","","","1.061","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337441","9.397","0.0017","10.3248","0.0016","10.9108","0.0016","103.937","0.004","102.971","0.005","112.799","0.005","885.4","0.3","275","2","275","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Au Fe N7 O -","- C15 H10 Au Fe N7 -","- C30 H20 Au2 Fe2 N14 -","2","1","","Yan, Zheng; Ni, Zhao-Ping; Guo, Fu-Sheng; Li, Jin-Yan; Chen, Yan-Chong; Liu, Jun-Liang; Lin, Wei-Quan; Aravena, Daniel; Ruiz, Eliseo; Tong, Ming-Liang","Spin-crossover behavior in two new supramolecular isomers.","Inorganic chemistry","2014","53","1","201","208","10.1021/ic402096s","","","0.71073","MoKα","","0.1264","0.0608","","","0.1479","0.1982","","","","","","0.963","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337442","9.616","0.005","10.473","0.005","10.906","0.006","104.535","0.013","103.124","0.013","112.617","0.011","914.8","0.8","350","2","350","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Au Fe N7 O -","- C15 H10 Au Fe N7 -","- C30 H20 Au2 Fe2 N14 -","2","1","","Yan, Zheng; Ni, Zhao-Ping; Guo, Fu-Sheng; Li, Jin-Yan; Chen, Yan-Chong; Liu, Jun-Liang; Lin, Wei-Quan; Aravena, Daniel; Ruiz, Eliseo; Tong, Ming-Liang","Spin-crossover behavior in two new supramolecular isomers.","Inorganic chemistry","2014","53","1","201","208","10.1021/ic402096s","","","0.71073","MoKα","","0.1634","0.0808","","","0.1902","0.2425","","","","","","0.966","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337443","14.5603","0.0003","15.4333","0.0003","15.0431","0.0003","90","","90","","90","","3380.39","0.12","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C34 H22 F12 Fe N6 O4 P2 -","- C34 H22 F12 Fe N6 O4 P2 -","- C136 H88 F48 Fe4 N24 O16 P8 -","4","0.5","","Jamula, Lindsey L.; Brown, Allison M.; Guo, Dong; McCusker, James K.","Synthesis and characterization of a high-symmetry ferrous polypyridyl complex: approaching the 5T2/3T1 crossing point for Fe(II.).","Inorganic chemistry","2014","53","1","15","17","10.1021/ic402407k","","","0.71073","MoKα","","0.0546","0.0474","","","0.1251","0.133","","","","","","1.054","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337444","9.1819","0.0006","12.0719","0.0007","9.7282","0.0005","90","","100.258","0.006","90","","1061.07","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Fe N8 Ni -","- C22 H16 Fe N8 Ni -","- C44 H32 Fe2 N16 Ni2 -","2","0.5","","Setifi, Fatima; Milin, Eric; Charles, Catherine; Thétiot, Franck; Triki, Smail; Gómez-García, Carlos J","Spin crossover iron(II) coordination polymer chains: syntheses, structures, and magnetic characterizations of [Fe(aqin)2(μ2-M(CN)4)] (M = Ni(II), Pt(II), aqin = quinolin-8-amine).","Inorganic chemistry","2014","53","1","97","104","10.1021/ic401721x","","","0.71073","MoKα","","0.1549","0.04","","","0.0556","0.0707","","","","","","0.812","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337445","9.0033","0.0005","12.0053","0.0006","9.6117","0.0005","90","","100.043","0.006","90","","1022.98","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Fe N8 Ni -","- C22 H16 Fe N8 Ni -","- C44 H32 Fe2 N16 Ni2 -","2","0.5","","Setifi, Fatima; Milin, Eric; Charles, Catherine; Thétiot, Franck; Triki, Smail; Gómez-García, Carlos J","Spin crossover iron(II) coordination polymer chains: syntheses, structures, and magnetic characterizations of [Fe(aqin)2(μ2-M(CN)4)] (M = Ni(II), Pt(II), aqin = quinolin-8-amine).","Inorganic chemistry","2014","53","1","97","104","10.1021/ic401721x","","","0.71073","MoKα","","0.0884","0.0385","","","0.0857","0.0984","","","","","","0.91","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337446","9.3073","0.0003","12.1228","0.0004","9.9073","0.0003","90","","101.67","0.004","90","","1094.74","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Fe N8 Pt -","- C22 H16 Fe N8 Pt -","- C44 H32 Fe2 N16 Pt2 -","2","0.5","","Setifi, Fatima; Milin, Eric; Charles, Catherine; Thétiot, Franck; Triki, Smail; Gómez-García, Carlos J","Spin crossover iron(II) coordination polymer chains: syntheses, structures, and magnetic characterizations of [Fe(aqin)2(μ2-M(CN)4)] (M = Ni(II), Pt(II), aqin = quinolin-8-amine).","Inorganic chemistry","2014","53","1","97","104","10.1021/ic401721x","","","0.71073","MoKα","","0.0493","0.0226","","","0.0494","0.0539","","","","","","0.973","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337447","9.029","0.0002","12.0904","0.0003","9.8107","0.0003","90","","101.124","0.003","90","","1050.86","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Fe N8 Pt -","- C22 H16 Fe N8 Pt -","- C44 H32 Fe2 N16 Pt2 -","2","0.5","","Setifi, Fatima; Milin, Eric; Charles, Catherine; Thétiot, Franck; Triki, Smail; Gómez-García, Carlos J","Spin crossover iron(II) coordination polymer chains: syntheses, structures, and magnetic characterizations of [Fe(aqin)2(μ2-M(CN)4)] (M = Ni(II), Pt(II), aqin = quinolin-8-amine).","Inorganic chemistry","2014","53","1","97","104","10.1021/ic401721x","","","0.71073","MoKα","","0.0342","0.0186","","","0.048","0.0504","","","","","","1.125","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337448","7.9385","0.0002","11.0586","0.0002","29.8637","0.0007","90","","90","","90","","2621.7","0.1","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 F N2 P Pd -","- C30 H34 F N2 P Pd -","- C120 H136 F4 N8 P4 Pd4 -","4","1","","Scharf, Adam; Goldberg, Israel; Vigalok, Arkadi","Room temperature rapid functionalization of E-H bonds (E = O, N, S) via the metal-ligand cooperation mechanism.","Inorganic chemistry","2014","53","1","12","14","10.1021/ic402315a","","","0.71073","MoKα","","0.0235","0.0219","","","0.0508","0.0513","","","","","","1.004","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337449","12.999","0.0007","17.0995","0.0009","17.4393","0.0009","75.968","0.002","80.708","0.002","82.083","0.002","3691.6","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H35 F4 N2 O2 P Pd -","- C32 H35 F4 N2 O2 P Pd -","- C128 H140 F16 N8 O8 P4 Pd4 -","4","2","","Scharf, Adam; Goldberg, Israel; Vigalok, Arkadi","Room temperature rapid functionalization of E-H bonds (E = O, N, S) via the metal-ligand cooperation mechanism.","Inorganic chemistry","2014","53","1","12","14","10.1021/ic402315a","","","0.71073","MoKα","","0.0548","0.0429","","","0.1202","0.1261","","","","","","1.107","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337450","8.3593","0.0002","11.5609","0.0004","11.5879","0.0003","90.686","0.002","98.984","0.002","106.86","0.001","1056.64","0.05","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H29 F N O P Pd -","- C24 H29 F N O P Pd -","- C48 H58 F2 N2 O2 P2 Pd2 -","2","1","","Scharf, Adam; Goldberg, Israel; Vigalok, Arkadi","Room temperature rapid functionalization of E-H bonds (E = O, N, S) via the metal-ligand cooperation mechanism.","Inorganic chemistry","2014","53","1","12","14","10.1021/ic402315a","","","0.71073","MoKα","","0.0421","0.0364","","","0.0919","0.0959","","","","","","0.972","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337451","8.7535","0.0004","11.5398","0.0005","15.0375","0.0007","69.022","0.002","77.424","0.002","72.829","0.002","1344.36","0.11","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H34 F I N P Pd S -","- C26 H34 F I N P Pd S -","- C52 H68 F2 I2 N2 P2 Pd2 S2 -","2","1","","Scharf, Adam; Goldberg, Israel; Vigalok, Arkadi","Room temperature rapid functionalization of E-H bonds (E = O, N, S) via the metal-ligand cooperation mechanism.","Inorganic chemistry","2014","53","1","12","14","10.1021/ic402315a","","","0.71073","MoKα","","0.0664","0.0559","","","0.1387","0.1473","","","","","","1.023","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337452","7.3527","0.0001","9.7682","0.0002","14.9867","0.0002","90","","94.875","0.001","90","","1072.49","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","KHA Cr(TMC)(OH)(Cl)Cl 100K","","","- C16 H38 Cl2 Cr N5 O2 -","- C16 H38 Cl2 Cr N5 O2 -","- C32 H76 Cl4 Cr2 N10 O4 -","2","1","","Cho, Kyung-Bin; Kang, Hyeona; Woo, Jaeyoung; Park, Young Jun; Seo, Mi Sook; Cho, Jaeheung; Nam, Wonwoo","Mechanistic insights into the C-H bond activation of hydrocarbons by chromium(IV) oxo and chromium(III) superoxo complexes.","Inorganic chemistry","2014","53","1","645","652","10.1021/ic402831f","","","0.71073","","","0.028","0.0235","","","0.0497","0.0509","","","","","","1.033","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337453","13.7874","0.0003","18.6536","0.0004","19.522","0.0004","90","","105.271","0.001","90","","4843.48","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Mo14 N4 O44 Si -","- C20 H16 Mo14 N4 O44 Si -","- C80 H64 Mo56 N16 O176 Si4 -","4","1","","Iyer, Abishek K.; Peter, Sebastian C.","Two-dimensional bicapped supramolecular hybrid semiconductor material constructed from the insulators α-Keggin polyoxomolybdate and 4,4'-bipyridine.","Inorganic chemistry","2014","53","1","653","660","10.1021/ic402858u","","","0.71073","MoKα","","0.0703","0.0472","","","0.1327","0.1599","","","","","","1.24","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337454","10.9895","0.001","16.0209","0.0015","19.9307","0.0018","99.443","0.001","101.626","0.001","102.145","0.001","3281.1","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H93 Co Dy O13 P3 -","- C63 H93 Co Dy O13 P3 -","- C126 H186 Co2 Dy2 O26 P6 -","2","1","","Gao, Feng; Cui, Long; Song, You; Li, Yi-Zhi; Zuo, Jing-Lin","Calix[4]arene-supported mononuclear lanthanide single-molecule magnet.","Inorganic chemistry","2014","53","1","562","567","10.1021/ic4026624","","","0.71073","MoKα","","0.0614","0.0596","","","0.1501","0.1509","","","","","","1.058","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337455","10.9869","0.0012","16.0612","0.0017","19.974","0.002","99.463","0.001","101.538","0.002","102.099","0.001","3297.5","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H93 Co O13 P3 Tb -","- C63 H93 Co O13 P3 Tb -","- C126 H186 Co2 O26 P6 Tb2 -","2","1","","Gao, Feng; Cui, Long; Song, You; Li, Yi-Zhi; Zuo, Jing-Lin","Calix[4]arene-supported mononuclear lanthanide single-molecule magnet.","Inorganic chemistry","2014","53","1","562","567","10.1021/ic4026624","","","0.71073","MoKα","","0.0583","0.0567","","","0.1439","0.1445","","","","","","1.052","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337456","11.1053","0.0008","16.0939","0.0011","20.2194","0.0014","99.464","0.001","101.065","0.002","101.911","0.001","3391","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H93 Co Ho O13 P3 -","- C63 H93 Co Ho O13 P3 -","- C126 H186 Co2 Ho2 O26 P6 -","2","1","","Gao, Feng; Cui, Long; Song, You; Li, Yi-Zhi; Zuo, Jing-Lin","Calix[4]arene-supported mononuclear lanthanide single-molecule magnet.","Inorganic chemistry","2014","53","1","562","567","10.1021/ic4026624","","","0.71073","MoKα","","0.0654","0.0604","","","0.1518","0.1529","","","","","","1.068","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337457","19.9611","0.0009","17.2003","0.0009","21.6034","0.0012","90","","102.324","0.003","90","","7246.3","0.6","173","2","173","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C50 H77 Ag3 F18 N3 O8 P3 S8 -","- C46 H71 Ag3 F18 N O8 P3 S8 -","- C184 H284 Ag12 F72 N4 O32 P12 S32 -","4","1","","Siewe, Arlette Deukam; Kim, Ja-Yeon; Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung","Regioisomer-dependent endo- and exocyclic coordination of bis-dithiamacrocycles.","Inorganic chemistry","2014","53","1","393","398","10.1021/ic402346z","","","0.71073","MoKα","","0.1041","0.071","","","0.2027","0.224","","","","","","1.061","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337458","10.2723","0.0013","11.4579","0.0014","13.764","0.002","114.576","0.006","99.486","0.009","98.585","0.007","1409.6","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H34 Ag F6 O4 P S4 -","- C22 H34 Ag F6 O4 P S4 -","- C44 H68 Ag2 F12 O8 P2 S8 -","2","1","","Siewe, Arlette Deukam; Kim, Ja-Yeon; Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung","Regioisomer-dependent endo- and exocyclic coordination of bis-dithiamacrocycles.","Inorganic chemistry","2014","53","1","393","398","10.1021/ic402346z","","","0.71073","MoKα","","0.0643","0.0474","","","0.1264","0.1409","","","","","","1.006","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337459","12.6287","0.0008","15.4148","0.001","17.7054","0.0012","78.326","0.001","86.512","0.001","68.977","0.001","3150.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H77 B3 F12 Fe2 N14 O5 -","- C55 H77 B3 F12 Fe2 N14 O5 -","- C110 H154 B6 F24 Fe4 N28 O10 -","2","1","","Majumdar, Amit; Apfel, Ulf-Peter; Jiang, Yunbo; Moënne-Loccoz, Pierre; Lippard, Stephen J.","Versatile reactivity of a solvent-coordinated diiron(II) compound: synthesis and dioxygen reactivity of a mixed-valent Fe(II)Fe(III) species.","Inorganic chemistry","2014","53","1","167","181","10.1021/ic4019585","","","0.71073","MoKα","","0.0597","0.0513","","","0.1236","0.1301","","","","","","1.028","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337460","14.6563","0.0006","16.0306","0.0006","16.885","0.0006","112.807","0.001","94.447","0.001","110.424","0.001","3321.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H67 B3 F12 Fe2 N16 O -","- C55 H67 B3 F12 Fe2 N16 O -","- C110 H134 B6 F24 Fe4 N32 O2 -","2","1","","Majumdar, Amit; Apfel, Ulf-Peter; Jiang, Yunbo; Moënne-Loccoz, Pierre; Lippard, Stephen J.","Versatile reactivity of a solvent-coordinated diiron(II) compound: synthesis and dioxygen reactivity of a mixed-valent Fe(II)Fe(III) species.","Inorganic chemistry","2014","53","1","167","181","10.1021/ic4019585","","","0.71073","MoKα","","0.0411","0.0348","","","0.0927","0.0958","","","","","","1.056","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337461","13.0157","0.0015","13.827","0.0016","18.859","0.002","72.271","0.002","80.965","0.002","67.018","0.002","2973.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H68 B2 F8 Fe2 N12 O5 -","- C56 H68 B2 F8 Fe2 N12 O5 -","- C112 H136 B4 F16 Fe4 N24 O10 -","2","1","","Majumdar, Amit; Apfel, Ulf-Peter; Jiang, Yunbo; Moënne-Loccoz, Pierre; Lippard, Stephen J.","Versatile reactivity of a solvent-coordinated diiron(II) compound: synthesis and dioxygen reactivity of a mixed-valent Fe(II)Fe(III) species.","Inorganic chemistry","2014","53","1","167","181","10.1021/ic4019585","","","0.71073","MoKα","","0.129","0.0728","","","0.165","0.2235","","","","","","1.013","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337462","12.1498","0.0016","16.28","0.002","17.653","0.002","98.098","0.002","95.663","0.002","101.203","0.002","3362.4","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H78 B2 F8 Fe2 N12 O5 -","- C69 H78 B2 F8 Fe2 N12 O5 -","- C138 H156 B4 F16 Fe4 N24 O10 -","2","1","","Majumdar, Amit; Apfel, Ulf-Peter; Jiang, Yunbo; Moënne-Loccoz, Pierre; Lippard, Stephen J.","Versatile reactivity of a solvent-coordinated diiron(II) compound: synthesis and dioxygen reactivity of a mixed-valent Fe(II)Fe(III) species.","Inorganic chemistry","2014","53","1","167","181","10.1021/ic4019585","","","0.71073","MoKα","","0.0483","0.0381","","","0.1016","0.109","","","","","","1.044","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337463","19.1808","0.0009","19.9429","0.0009","20.4483","0.0009","99.085","0.001","105.025","0.001","97.781","0.001","7331.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H89 B3 F12 Fe2 N15 O8 -","- C65 H89 B3 F12 Fe2 N15 O8 -","- C260 H356 B12 F48 Fe8 N60 O32 -","4","2","","Majumdar, Amit; Apfel, Ulf-Peter; Jiang, Yunbo; Moënne-Loccoz, Pierre; Lippard, Stephen J.","Versatile reactivity of a solvent-coordinated diiron(II) compound: synthesis and dioxygen reactivity of a mixed-valent Fe(II)Fe(III) species.","Inorganic chemistry","2014","53","1","167","181","10.1021/ic4019585","","","0.71073","MoKα","","0.0733","0.0577","","","0.1545","0.1689","","","","","","1.055","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337464","19.6058","0.0008","21.5223","0.0009","17.6495","0.0007","90","","114.826","0.001","90","","6759.2","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C96 H122 B4 Cl6 F16 Fe4 N22 O5 -","- C96 H122 B4 Cl6 F16 Fe4 N22 O5 -","- C192 H244 B8 Cl12 F32 Fe8 N44 O10 -","2","0.5","","Majumdar, Amit; Apfel, Ulf-Peter; Jiang, Yunbo; Moënne-Loccoz, Pierre; Lippard, Stephen J.","Versatile reactivity of a solvent-coordinated diiron(II) compound: synthesis and dioxygen reactivity of a mixed-valent Fe(II)Fe(III) species.","Inorganic chemistry","2014","53","1","167","181","10.1021/ic4019585","","","0.71073","MoKα","","0.0708","0.0595","","","0.1899","0.1999","","","","","","1.065","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337465","17.548","0.002","18.524","0.002","20.896","0.002","78.952","0.002","71.109","0.002","69.479","0.002","5995.3","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H150 B4 F16 Fe5 N25 O13 -","- C105 H146 B4 F16 Fe5 N25 O13 -","- C210 H292 B8 F32 Fe10 N50 O26 -","2","1","","Majumdar, Amit; Apfel, Ulf-Peter; Jiang, Yunbo; Moënne-Loccoz, Pierre; Lippard, Stephen J.","Versatile reactivity of a solvent-coordinated diiron(II) compound: synthesis and dioxygen reactivity of a mixed-valent Fe(II)Fe(III) species.","Inorganic chemistry","2014","53","1","167","181","10.1021/ic4019585","","","0.71073","MoKα","","0.1138","0.084","","","0.2266","0.2479","","","","","","1.071","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337466","15.092","0.002","17.612","0.003","27.955","0.004","85.993","0.003","80.605","0.002","64.731","0.002","6629.3","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H116 B2 F8 Fe4 N22 O9 -","- C92 H116 B2 F8 Fe4 N22 O9 -","- C184 H232 B4 F16 Fe8 N44 O18 -","2","1","","Majumdar, Amit; Apfel, Ulf-Peter; Jiang, Yunbo; Moënne-Loccoz, Pierre; Lippard, Stephen J.","Versatile reactivity of a solvent-coordinated diiron(II) compound: synthesis and dioxygen reactivity of a mixed-valent Fe(II)Fe(III) species.","Inorganic chemistry","2014","53","1","167","181","10.1021/ic4019585","","","0.71073","MoKα","","0.1157","0.0809","","","0.2559","0.2789","","","","","","1.116","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337467","17.2818","0.0013","17.5986","0.0014","23.455","0.003","100.636","0.002","95.959","0.002","116.188","0.001","6150.9","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H112 B2 F8 Fe4 N22 O8 -","- C92 H112 B2 F8 Fe4 N22 O8 -","- C184 H224 B4 F16 Fe8 N44 O16 -","2","1","","Majumdar, Amit; Apfel, Ulf-Peter; Jiang, Yunbo; Moënne-Loccoz, Pierre; Lippard, Stephen J.","Versatile reactivity of a solvent-coordinated diiron(II) compound: synthesis and dioxygen reactivity of a mixed-valent Fe(II)Fe(III) species.","Inorganic chemistry","2014","53","1","167","181","10.1021/ic4019585","","","0.71073","MoKα","","0.0959","0.0762","","","0.2433","0.2587","","","","","","1.096","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337468","23.9781","0.0016","11.5551","0.0008","19.5801","0.0013","90","","90","","90","","5425","0.6","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C51 H62 B2 F8 Fe N14 O -","- C51 H62 B2 F8 Fe N14 O -","- C204 H248 B8 F32 Fe4 N56 O4 -","4","0.5","","Majumdar, Amit; Apfel, Ulf-Peter; Jiang, Yunbo; Moënne-Loccoz, Pierre; Lippard, Stephen J.","Versatile reactivity of a solvent-coordinated diiron(II) compound: synthesis and dioxygen reactivity of a mixed-valent Fe(II)Fe(III) species.","Inorganic chemistry","2014","53","1","167","181","10.1021/ic4019585","","","0.71073","MoKα","","0.0776","0.0652","","","0.1622","0.1737","","","","","","1.057","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337469","13.8788","0.0012","23.342","0.002","15.968","0.0014","90","","97.122","0.002","90","","5133.1","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 B2 F8 Fe2 N12 O3 -","- C48 H60 B2 F8 Fe2 N12 O3 -","- C192 H240 B8 F32 Fe8 N48 O12 -","4","1","","Majumdar, Amit; Apfel, Ulf-Peter; Jiang, Yunbo; Moënne-Loccoz, Pierre; Lippard, Stephen J.","Versatile reactivity of a solvent-coordinated diiron(II) compound: synthesis and dioxygen reactivity of a mixed-valent Fe(II)Fe(III) species.","Inorganic chemistry","2014","53","1","167","181","10.1021/ic4019585","","","0.71073","MoKα","","0.1089","0.0912","","","0.22","0.2335","","","","","","1.051","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337470","12.8212","0.0004","17.5282","0.0006","17.7027","0.0006","73.288","0.001","76.65","0.001","79.532","0.001","3678.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H78 B3 F12 Fe2 N14 O7 -","- C55 H78 B3 F12 Fe2 N14 O7 -","- C110 H156 B6 F24 Fe4 N28 O14 -","2","1","","Majumdar, Amit; Apfel, Ulf-Peter; Jiang, Yunbo; Moënne-Loccoz, Pierre; Lippard, Stephen J.","Versatile reactivity of a solvent-coordinated diiron(II) compound: synthesis and dioxygen reactivity of a mixed-valent Fe(II)Fe(III) species.","Inorganic chemistry","2014","53","1","167","181","10.1021/ic4019585","","","0.71073","MoKα","","0.111","0.0848","","","0.2554","0.2771","","","","","","1.143","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337471","30.9156","0.0019","15.34138","0.00087","7.36774","0.0004","90","","95.2747","0.0043","90","","3479.6","0.3","298","","298","","","","","","","","Phase transition","6","P 1 21/a 1","-P 2yab","14","","[(eta6-p-cymene)Ru(II)Cl2(isonicotinic acid)]","","- C16 H19 Cl2 N O2 Ru -","- C16 H19 Cl2 N O2 Ru -","- C128 H152 Cl16 N8 O16 Ru8 -","8","2","","Chierotti, Michele R.; Gobetto, Roberto; Nervi, Carlo; Bacchi, Alessia; Pelagatti, Paolo; Colombo, Valentina; Sironi, Angelo","Probing hydrogen bond networks in half-sandwich Ru(II) building blocks by a combined 1H DQ CRAMPS solid-state NMR, XRPD, and DFT approach.","Inorganic chemistry","2014","53","1","139","146","10.1021/ic401762z","powder diffraction","","1.54056","CuKα11.54056CuKα21.54439","","","","","","","","","","2.34","","","","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337472","14.7052","0.001","15.0862","0.001","7.72342","0.00047","90","","98.0455","0.0038","90","","1696.54","0.19","373","","373","","","","","","","","Phase transition","6","P 1 21/c 1","-P 2ybc","14","","[(eta6-p-cymene)Ru(II)Cl2(isonicotinic acid)]","","- C16 H19 Cl2 N O2 Ru -","- C16 H19 Cl2 N O2 Ru -","- C64 H76 Cl8 N4 O8 Ru4 -","4","1","","Chierotti, Michele R.; Gobetto, Roberto; Nervi, Carlo; Bacchi, Alessia; Pelagatti, Paolo; Colombo, Valentina; Sironi, Angelo","Probing hydrogen bond networks in half-sandwich Ru(II) building blocks by a combined 1H DQ CRAMPS solid-state NMR, XRPD, and DFT approach.","Inorganic chemistry","2014","53","1","139","146","10.1021/ic401762z","powder diffraction","","1.54056","CuKα11.54056CuKα21.54439","","","","","","","","","","2.34","","","","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337473","11.2556","0.0008","11.2128","0.0008","19.2242","0.0014","90","","93.579","0.001","90","","2421.5","0.3","298","2","298","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C34 H52 Cl2 Cu4 Ge2 I4 N6 -","- C34 H52 Cl2 Cu4 Ge2 I4 N6 -","- C68 H104 Cl4 Cu8 Ge4 I8 N12 -","2","0.5","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Sinhababu, Soumen; Nagendran, Selvarajan","Aminotroponiminato(chloro)germylene stabilized copper(I) iodide complexes: synthesis and structure.","Inorganic chemistry","2014","53","1","600","606","10.1021/ic402742f","","","0.71073","MoKα","","0.0368","0.0284","","","0.0686","0.0717","","","","","","1.044","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337474","19.985","0.003","10.2202","0.0017","32.465","0.006","90","","90","","90","","6631","1.9","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H38 Cl Cu Ge I N5 -","- C30 H38 Cl Cu Ge I N5 -","- C240 H304 Cl8 Cu8 Ge8 I8 N40 -","8","1","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Sinhababu, Soumen; Nagendran, Selvarajan","Aminotroponiminato(chloro)germylene stabilized copper(I) iodide complexes: synthesis and structure.","Inorganic chemistry","2014","53","1","600","606","10.1021/ic402742f","","","0.71073","MoKα","","0.0972","0.0799","","","0.1615","0.1687","","","","","","1.304","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337475","9.8792","0.001","12.7926","0.0012","19.0572","0.0018","90","","90.856","0.002","90","","2408.2","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Cl2 Cu2 Ge2 I2 N6 -","- C40 H56 Cl2 Cu2 Ge2 I2 N6 -","- C80 H112 Cl4 Cu4 Ge4 I4 N12 -","2","0.5","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Sinhababu, Soumen; Nagendran, Selvarajan","Aminotroponiminato(chloro)germylene stabilized copper(I) iodide complexes: synthesis and structure.","Inorganic chemistry","2014","53","1","600","606","10.1021/ic402742f","","","0.71073","MoKα","","0.0631","0.0437","","","0.1115","0.1206","","","","","","1.026","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337476","26.2994","0.0003","33.3014","0.0005","37.9859","0.0003","79.778","0.001","85.964","0.001","66.865","0.001","30107.3","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C414 H514 Cl0 Co40 N2 O124 P16 S40 -","- C400 H391 Co40 O114 P16 S40 -","- C800 H782 Co80 O228 P32 S80 -","2","1","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Wu, Mingyan; Gai, Yanli; Pan, Jie; Yuan, Daqiang; Hong, Maochun","Open pentameric calixarene nanocage.","Inorganic chemistry","2014","53","1","18","20","10.1021/ic4024184","","","0.71073","MoKα","","0.1265","0.0934","","","0.2757","0.3078","","","","","","1.063","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337477","19.5893","0.0001","19.5893","0.0001","15.6809","0.0001","90","","90","","90","","6017.4","0.06","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C94 H192 Bi4 N12 O24 -","- C94 H192 Bi4 N12 O24 -","- C188 H384 Bi8 N24 O48 -","2","0.25","","Cosham, Samuel D.; Hill, Michael S.; Horley, Graeme A.; Johnson, Andrew L.; Jordan, Laura; Molloy, Kieran C.; Stanton, David C.","Synthesis and materials chemistry of bismuth tris-(di-i-propylcarbamate): deposition of photoactive Bi2O3 thin films.","Inorganic chemistry","2014","53","1","503","511","10.1021/ic402499r","","","0.71073","MoKα","","0.027","0.0228","","","0.0546","0.0572","","","","","","1.086","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337478","16.121","0.0002","27.1155","0.0003","16.8963","0.0003","90","","105.426","0.0007","90","","7119.77","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H216 Bi8 N12 O36 -","- C108 H216 Bi8 N12 O36 -","- C216 H432 Bi16 N24 O72 -","2","0.5","","Cosham, Samuel D.; Hill, Michael S.; Horley, Graeme A.; Johnson, Andrew L.; Jordan, Laura; Molloy, Kieran C.; Stanton, David C.","Synthesis and materials chemistry of bismuth tris-(di-i-propylcarbamate): deposition of photoactive Bi2O3 thin films.","Inorganic chemistry","2014","53","1","503","511","10.1021/ic402499r","","","0.71073","MoKα","","0.0965","0.0444","","","0.0745","0.0864","","","","","","1.012","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337479","7.3591","0.0018","12.383","0.003","17.574","0.004","90","","97.147","0.005","90","","1589","0.7","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ba3Nb2Se9","","","- Ba3 Nb2 Se9 -","- Ba3 Nb2 Se9 -","- Ba12 Nb8 Se36 -","4","1","","Chung, Ming-Yan; Lee, Chi-Shen","Ba3TM2Se9 (TM = Nb, Ta): synthesis and characterization of new polyselenides.","Inorganic chemistry","2014","53","1","80","84","10.1021/ic4013763","","","0.71073","MoKα","","0.0455","0.0278","","","0.0565","0.062","","","","","","0.992","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337480","7.3579","0.0008","12.3741","0.0014","17.593","0.002","90","","97.359","0.002","90","","1588.6","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba3 Se9 Ta2 -","- Ba3 Se9 Ta2 -","- Ba12 Se36 Ta8 -","4","1","","Chung, Ming-Yan; Lee, Chi-Shen","Ba3TM2Se9 (TM = Nb, Ta): synthesis and characterization of new polyselenides.","Inorganic chemistry","2014","53","1","80","84","10.1021/ic4013763","","","0.71073","MoKα","","0.0398","0.0319","","","0.0837","0.0882","","","","","","1.026","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337481","3.8517","0.0001","45.453","0.0009","15.5814","0.0003","90","","90","","90","","2727.86","0.1","293","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Bi6 Cl4 Na O7.5 -","- Bi5.99995 Cl4 Na1.00005 O7.5 -","- Bi47.9996 Cl32 Na8.0004 O60 -","8","0.5","","Lü, Minfeng; Aliev, Almaz; Olchowka, Jacob; Colmont, Marie; Huvé, Marielle; Wickleder, Claudia; Mentré, Olivier","Multidimensional open-frameworks: combinations of one-dimensional channels and two-dimensional layers in novel BI/M oxo-chlorides.","Inorganic chemistry","2014","53","1","528","536","10.1021/ic402578m","","x-ray","0.71073","MoKα","","0.0303","0.0215","","","0.0258","0.0271","","","","1.4","1.4","1.33","","","","has coordinates","288070","2023-12-06","12:51:36",""
"4337482","3.8695","0.0002","31.737","0.002","15.7602","0.0007","90","","90","","90","","1935.45","0.18","293","","293","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Bi9 Cl5 Mn0.821 O12 Pb0.179 -","- Bi9 Cl4.9999 Mn0.8 O12 Pb0.2 -","- Bi36 Cl19.9996 Mn3.2 O48 Pb0.8 -","4","0.25","","Lü, Minfeng; Aliev, Almaz; Olchowka, Jacob; Colmont, Marie; Huvé, Marielle; Wickleder, Claudia; Mentré, Olivier","Multidimensional open-frameworks: combinations of one-dimensional channels and two-dimensional layers in novel BI/M oxo-chlorides.","Inorganic chemistry","2014","53","1","528","536","10.1021/ic402578m","","x-ray","0.71073","MoKα","","0.0515","0.0468","","","0.0652","0.0668","","","","1.08","1.08","1.03","","","","has coordinates","288070","2023-12-06","12:51:47",""
"4337483","38.9122","0.0018","3.885","0.0002","11.6784","0.0006","90","","95.729","0.003","90","","1756.65","0.15","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi17 Cl9 O22 Pb -","- Bi17 Cl9 O22 Pb -","- Bi34 Cl18 O44 Pb2 -","2","0.25","","Lü, Minfeng; Aliev, Almaz; Olchowka, Jacob; Colmont, Marie; Huvé, Marielle; Wickleder, Claudia; Mentré, Olivier","Multidimensional open-frameworks: combinations of one-dimensional channels and two-dimensional layers in novel BI/M oxo-chlorides.","Inorganic chemistry","2014","53","1","528","536","10.1021/ic402578m","","x-ray","0.71073","MoKα","","0.072","0.0568","","","0.0722","0.0739","","","","2.82","2.82","2.56","","","","has coordinates","288070","2023-12-06","12:52:57",""
"4337484","22.083","0.006","17.756","0.005","15.261","0.005","90","","126.292","0.005","90","","4823","2","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C70 H84 Cl4 Mo4 N24 S16 -","- C70 H84 Cl4 Mo4 N24 S16 -","- C140 H168 Cl8 Mo8 N48 S32 -","2","0.25","","Bose, Moumita; Moula, Golam; Sarkar, Sabyasachi","A cyanide-bridged molybdenum bis(maleonitriledithiolate) square.","Inorganic chemistry","2014","53","1","6","8","10.1021/ic402160h","","","0.71069","MoKα","","0.1144","0.0697","","","0.1727","0.2271","","","","","","1.073","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337485","12.7307","0.0018","8.5517","0.0012","8.5111","0.0012","90","","93.558","0.002","90","","924.8","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Mn N2 O6 -","- C4 H2 Mn N2 O6 -","- C16 H8 Mn4 N8 O24 -","4","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Jacobson, Allan J.; Tapp, Joshua; Möller, Angela","Synthesis, crystal structures, magnetic, and thermal properties of divalent metal formate-formamide layered compounds.","Inorganic chemistry","2014","53","1","244","256","10.1021/ic402200v","","","0.71073","MoKα","","0.0338","0.0324","","","0.0871","0.0886","","","","","","1.061","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337486","12.536","0.006","8.623","0.005","8.341","0.004","90","","95.884","0.003","90","","896.9","0.8","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Mn N2 O6 -","- C4 H2 Mn N2 O6 -","- C16 H8 Mn4 N8 O24 -","4","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Jacobson, Allan J.; Tapp, Joshua; Möller, Angela","Synthesis, crystal structures, magnetic, and thermal properties of divalent metal formate-formamide layered compounds.","Inorganic chemistry","2014","53","1","244","256","10.1021/ic402200v","","","0.71073","MoKα","","0.0325","0.0321","","","0.0936","0.0939","","","","","","1.333","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337487","25.039","0.002","34.572","0.003","8.2874","0.0008","90","","96.231","0.001","90","","7131.6","1.1","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Mn N2 O6 -","- C4 H2.5 Mn N2 O6 -","- C128 H80 Mn32 N64 O192 -","32","4","","Samarasekere, Pradeep; Wang, Xiqu; Jacobson, Allan J.; Tapp, Joshua; Möller, Angela","Synthesis, crystal structures, magnetic, and thermal properties of divalent metal formate-formamide layered compounds.","Inorganic chemistry","2014","53","1","244","256","10.1021/ic402200v","","","0.71073","MoKα","","0.0862","0.0492","","","0.1734","0.2034","","","","","","1.102","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337488","12.7638","0.0019","8.2459","0.0012","8.1902","0.0012","90","","92.646","0.002","90","","861.1","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 N2 Ni O6 -","- C4 H2 N2 Ni O6 -","- C16 H8 N8 Ni4 O24 -","4","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Jacobson, Allan J.; Tapp, Joshua; Möller, Angela","Synthesis, crystal structures, magnetic, and thermal properties of divalent metal formate-formamide layered compounds.","Inorganic chemistry","2014","53","1","244","256","10.1021/ic402200v","","","0.71073","MoKα","","0.0304","0.0294","","","0.0758","0.0767","","","","","","1.064","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337489","7.3615","0.0018","8.088","0.002","8.24","0.003","90","","116.052","0.003","90","","440.8","0.2","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N2 Ni O6 -","- C4 H8 N2 Ni O6 -","- C8 H16 N4 Ni2 O12 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Jacobson, Allan J.; Tapp, Joshua; Möller, Angela","Synthesis, crystal structures, magnetic, and thermal properties of divalent metal formate-formamide layered compounds.","Inorganic chemistry","2014","53","1","244","256","10.1021/ic402200v","","","0.71073","MoKα","","0.0454","0.0326","","","0.0892","0.0921","","","","","","1.16","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337490","7.7801","0.0011","7.9527","0.0011","8.0058","0.0011","90","","115.115","0.002","90","","448.51","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Cu N2 O6 -","- C4 H8 Cu N2 O6 -","- C8 H16 Cu2 N4 O12 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Jacobson, Allan J.; Tapp, Joshua; Möller, Angela","Synthesis, crystal structures, magnetic, and thermal properties of divalent metal formate-formamide layered compounds.","Inorganic chemistry","2014","53","1","244","256","10.1021/ic402200v","","","0.71073","MoKα","","0.0439","0.034","","","0.0878","0.0921","","","","","","0.961","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337491","12.8085","0.0017","8.3137","0.0011","8.2677","0.0011","90","","93.065","0.002","90","","879.1","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 N2 O6 Zn -","- C4 H2 N1.998 O6 Zn -","- C16 H8 N7.992 O24 Zn4 -","4","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Jacobson, Allan J.; Tapp, Joshua; Möller, Angela","Synthesis, crystal structures, magnetic, and thermal properties of divalent metal formate-formamide layered compounds.","Inorganic chemistry","2014","53","1","244","256","10.1021/ic402200v","","","0.71073","MoKα","","0.0433","0.0423","","","0.1208","0.1221","","","","","","1.159","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337492","7.4455","0.0017","8.1095","0.0019","8.275","0.003","90","","116.184","0.002","90","","448.4","0.2","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N2 O6 Zn -","- C4 H8 N2 O6 Zn -","- C8 H16 N4 O12 Zn2 -","2","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Jacobson, Allan J.; Tapp, Joshua; Möller, Angela","Synthesis, crystal structures, magnetic, and thermal properties of divalent metal formate-formamide layered compounds.","Inorganic chemistry","2014","53","1","244","256","10.1021/ic402200v","","","0.71073","MoKα","","0.0266","0.0242","","","0.0734","0.0745","","","","","","1.259","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337493","8.6278","0.0009","8.4343","0.0009","12.1534","0.0013","90","","91.033","0.001","90","","884.25","0.16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Mg N2 O6 -","- C4 H8 Mg N2 O6 -","- C16 H32 Mg4 N8 O24 -","4","1","","Samarasekere, Pradeep; Wang, Xiqu; Jacobson, Allan J.; Tapp, Joshua; Möller, Angela","Synthesis, crystal structures, magnetic, and thermal properties of divalent metal formate-formamide layered compounds.","Inorganic chemistry","2014","53","1","244","256","10.1021/ic402200v","","","0.71073","MoKα","","0.033","0.0308","","","0.0903","0.0915","","","","","","1.047","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337494","7.9147","0.0002","11.1818","0.0002","9.5726","0.0003","90","","113.626","0.003","90","","776.17","0.04","173","","173","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H18 Cl3 N3 O3 -","- C11 H18 Cl3 N3 O3 -","- C22 H36 Cl6 N6 O6 -","2","1","","Tan, Kel Vin; Pellegrini, Paul A.; Skelton, Brian W.; Hogan, Conor F.; Greguric, Ivan; Barnard, Peter J.","Triamidetriamine bearing macrobicyclic and macrotricyclic ligands: potential applications in the development of copper-64 radiopharmaceuticals.","Inorganic chemistry","2014","53","1","468","477","10.1021/ic4024508","","","1.54184","CuKα","","0.0401","0.04","","","0.1014","0.1018","","","","","","1.099","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337495","15.9861","0.0002","14.9331","0.0002","15.0549","0.0002","90","","97.815","0.001","90","","3560.56","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 N6 O3 -","- C16 H30 N6 O3 -","- C128 H240 N48 O24 -","8","2","","Tan, Kel Vin; Pellegrini, Paul A.; Skelton, Brian W.; Hogan, Conor F.; Greguric, Ivan; Barnard, Peter J.","Triamidetriamine bearing macrobicyclic and macrotricyclic ligands: potential applications in the development of copper-64 radiopharmaceuticals.","Inorganic chemistry","2014","53","1","468","477","10.1021/ic4024508","","","1.54184","CuKα","","0.0518","0.0413","","","0.1136","0.125","","","","","","0.861","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337496","10.337","0.002","15.943","0.003","10.759","0.002","90","","94.84","0.03","90","","1766.8","0.6","173.2","","173.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 N6 O3 -","- C17 H30 N6 O3 -","- C68 H120 N24 O12 -","4","1","","Tan, Kel Vin; Pellegrini, Paul A.; Skelton, Brian W.; Hogan, Conor F.; Greguric, Ivan; Barnard, Peter J.","Triamidetriamine bearing macrobicyclic and macrotricyclic ligands: potential applications in the development of copper-64 radiopharmaceuticals.","Inorganic chemistry","2014","53","1","468","477","10.1021/ic4024508","","","0.71073","MoKα","","0.0403","0.0352","","","0.0873","0.0908","","","","","","1.046","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337497","15.7221","0.0007","7.824","0.0003","17.6366","0.0007","90","","106.127","0.004","90","","2084.1","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17.5 H33 Co N6 O4.5 -","- C17.5 H33 Co N6 O4.5 -","- C70 H132 Co4 N24 O18 -","4","1","","Tan, Kel Vin; Pellegrini, Paul A.; Skelton, Brian W.; Hogan, Conor F.; Greguric, Ivan; Barnard, Peter J.","Triamidetriamine bearing macrobicyclic and macrotricyclic ligands: potential applications in the development of copper-64 radiopharmaceuticals.","Inorganic chemistry","2014","53","1","468","477","10.1021/ic4024508","","","0.71073","MoKα","","0.0783","0.0471","","","0.101","0.1161","","","","","","1.023","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337498","11.2087","0.0006","8.4478","0.0005","22.7388","0.0011","90","","114.94","0.004","90","","1952.33","0.19","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 Cu N6 O4 -","- C17 H32 Cu N6 O4 -","- C68 H128 Cu4 N24 O16 -","4","1","","Tan, Kel Vin; Pellegrini, Paul A.; Skelton, Brian W.; Hogan, Conor F.; Greguric, Ivan; Barnard, Peter J.","Triamidetriamine bearing macrobicyclic and macrotricyclic ligands: potential applications in the development of copper-64 radiopharmaceuticals.","Inorganic chemistry","2014","53","1","468","477","10.1021/ic4024508","","","0.71073","MoKα","","0.0467","0.0368","","","0.0886","0.0936","","","","","","1.042","","","","has coordinates,has disorder","179477","2020-10-21","18:00:00",""
"4337499","24.442","0.005","4.1285","0.0008","19.721","0.004","90","","90","","90","","1990","0.7","300","2","300","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Manganese Lead Antimony Selenide (0.89/3.11/4/10)","","- Mn3.48 Pb12.52 Sb16 Se40 -","- Mn3.48 Pb12.52 Sb16 Se40 -","- Mn3.48 Pb12.52 Sb16 Se40 -","1","0.125","","Poudeu, Pierre F. P.; Djieutedjeu, Honore; Ranmohotti, Kulugammana G. S.; Makongo, Julien P. A. M.; Takas, Nathan","Geometrical spin frustration and ferromagnetic ordering in (MnxPb2-x)Pb2Sb4Se10.","Inorganic chemistry","2014","53","1","209","220","10.1021/ic402128c","","","0.71073","MoKα","","0.025","0.025","","","0.0617","0.0617","","","","","","1.183","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337500","24.385","0.005","4.1142","0.0008","19.605","0.004","90","","90","","90","","1966.9","0.7","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Manganese Lead Antimony Selenide (0.93/3.07/4/10)","","- Mn3.71 Pb12.29 Sb16 Se40 -","- Mn3.708 Pb12.292 Sb16 Se40 -","- Mn3.708 Pb12.292 Sb16 Se40 -","1","0.125","","Poudeu, Pierre F. P.; Djieutedjeu, Honore; Ranmohotti, Kulugammana G. S.; Makongo, Julien P. A. M.; Takas, Nathan","Geometrical spin frustration and ferromagnetic ordering in (MnxPb2-x)Pb2Sb4Se10.","Inorganic chemistry","2014","53","1","209","220","10.1021/ic402128c","","","0.71073","MoKα","","0.0373","0.0373","","","0.1109","0.1109","","","","","","1.811","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337501","24.4409","0.0019","4.1281","0.0003","19.698","0.0015","90","","90","","90","","1987.4","0.3","300","2","300","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Manganese Lead Antimony Selenide (0.92/3.08/4/10)","","- Mn3.66 Pb12.34 Sb16 Se40 -","- Mn3.664 Pb12.336 Sb16 Se40 -","- Mn3.664 Pb12.336 Sb16 Se40 -","1","0.125","","Poudeu, Pierre F. P.; Djieutedjeu, Honore; Ranmohotti, Kulugammana G. S.; Makongo, Julien P. A. M.; Takas, Nathan","Geometrical spin frustration and ferromagnetic ordering in (MnxPb2-x)Pb2Sb4Se10.","Inorganic chemistry","2014","53","1","209","220","10.1021/ic402128c","","","0.71073","MoKα","","0.0212","0.0212","","","0.0507","0.0507","","","","","","1.248","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337502","24.281","0.005","4.0894","0.0008","19.45","0.004","90","","90","","90","","1931.3","0.7","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Manganese Lead Antimony Selenide (1.19/2.81/4/10)","","- Mn4.76 Pb11.24 Sb16 Se40 -","- Mn4.76 Pb11.24 Sb16 Se40 -","- Mn4.76 Pb11.24 Sb16 Se40 -","1","0.125","","Poudeu, Pierre F. P.; Djieutedjeu, Honore; Ranmohotti, Kulugammana G. S.; Makongo, Julien P. A. M.; Takas, Nathan","Geometrical spin frustration and ferromagnetic ordering in (MnxPb2-x)Pb2Sb4Se10.","Inorganic chemistry","2014","53","1","209","220","10.1021/ic402128c","","","0.71073","MoKα","","0.0307","0.0307","","","0.0721","0.0721","","","","","","1.333","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337503","24.341","0.005","4.1069","0.0008","19.535","0.004","90","","90","","90","","1952.8","0.7","300","2","300","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Manganese Lead Antimony Selenide (1.22/2.78/4/10)","","- Mn4.86 Pb11.14 Sb16 Se40 -","- Mn4.864 Pb11.136 Sb16 Se40 -","- Mn4.864 Pb11.136 Sb16 Se40 -","1","0.125","","Poudeu, Pierre F. P.; Djieutedjeu, Honore; Ranmohotti, Kulugammana G. S.; Makongo, Julien P. A. M.; Takas, Nathan","Geometrical spin frustration and ferromagnetic ordering in (MnxPb2-x)Pb2Sb4Se10.","Inorganic chemistry","2014","53","1","209","220","10.1021/ic402128c","","","0.71073","MoKα","","0.0331","0.0331","","","0.0651","0.0651","","","","","","1.313","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337504","18.8314","0.0017","21.5487","0.0017","21.0387","0.0018","90","","90.317","0.002","90","","8537.2","1.3","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C83 H74 F24 N8 O P4 Ru2 S4 -","- C83 H74 F24 N8 O P4 Ru2 S4 -","- C332 H296 F96 N32 O4 P16 Ru8 S16 -","4","1","","Al-Rawashdeh, Nathir A F; Chatterjee, Sayandev; Krause, Jeanette A.; Connick, William B.","Ruthenium bis-diimine complexes with a chelating thioether ligand: delineating 1,10-phenanthrolinyl and 2,2'-bipyridyl ligand substituent effects.","Inorganic chemistry","2014","53","1","294","307","10.1021/ic4022454","","","0.7749","synchrotron","","0.0616","0.0463","","","0.1047","0.1121","","","","","","1.019","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337505","25.961","0.002","9.2613","0.0008","19.6949","0.0016","90","","100.194","0.002","90","","4660.5","0.7","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40.68 H32.02 F12 N7.34 O4.01 P2 Ru S2 -","- C40.68 H32.02 F12 N7.36 O4.04 P2 Ru S2 -","- C162.72 H128.08 F48 N29.44 O16.16 P8 Ru4 S8 -","4","0.5","","Al-Rawashdeh, Nathir A F; Chatterjee, Sayandev; Krause, Jeanette A.; Connick, William B.","Ruthenium bis-diimine complexes with a chelating thioether ligand: delineating 1,10-phenanthrolinyl and 2,2'-bipyridyl ligand substituent effects.","Inorganic chemistry","2014","53","1","294","307","10.1021/ic4022454","","","0.7749","synchrotron","","0.0654","0.0624","","","0.1704","0.1721","","","","","","1.207","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337506","32.5431","0.001","8.7643","0.0003","23.0088","0.0008","90","","111.525","0.002","90","","6104.8","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H52 F12 N6 P2 Ru S2 -","- C66 H52 F12 N6 P2 Ru S2 -","- C264 H208 F48 N24 P8 Ru4 S8 -","4","0.5","","Al-Rawashdeh, Nathir A F; Chatterjee, Sayandev; Krause, Jeanette A.; Connick, William B.","Ruthenium bis-diimine complexes with a chelating thioether ligand: delineating 1,10-phenanthrolinyl and 2,2'-bipyridyl ligand substituent effects.","Inorganic chemistry","2014","53","1","294","307","10.1021/ic4022454","","","1.54178","CuKα","","0.0505","0.0435","","","0.107","0.1107","","","","","","1.078","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337507","29.518","0.002","9.9121","0.0007","20.8271","0.0014","90","","108.383","0.002","90","","5782.7","0.7","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H65 F12 N5 P2 Ru S2 -","- C52 H65 F12 N5 P2 Ru S2 -","- C208 H260 F48 N20 P8 Ru4 S8 -","4","0.5","","Al-Rawashdeh, Nathir A F; Chatterjee, Sayandev; Krause, Jeanette A.; Connick, William B.","Ruthenium bis-diimine complexes with a chelating thioether ligand: delineating 1,10-phenanthrolinyl and 2,2'-bipyridyl ligand substituent effects.","Inorganic chemistry","2014","53","1","294","307","10.1021/ic4022454","","","0.7749","synchrotron","","0.0453","0.0406","","","0.113","0.1163","","","","","","1.084","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337508","25.396","0.003","10.4086","0.0011","15.79","0.002","90","","127.756","0.003","90","","3300","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 F12 N6 P2 Ru -","- C28 H30 F12 N6 P2 Ru -","- C112 H120 F48 N24 P8 Ru4 -","4","0.5","","Al-Rawashdeh, Nathir A F; Chatterjee, Sayandev; Krause, Jeanette A.; Connick, William B.","Ruthenium bis-diimine complexes with a chelating thioether ligand: delineating 1,10-phenanthrolinyl and 2,2'-bipyridyl ligand substituent effects.","Inorganic chemistry","2014","53","1","294","307","10.1021/ic4022454","","","0.7749","synchrotron","","0.0542","0.0449","","","0.1167","0.1242","","","","","","1.027","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337509","20.079","0.0006","7.758","0.0002","11.4836","0.0003","90","","90","","90","","1788.83","0.08","99.99","","99.99","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Br2 F21 K10 Mo6 O12 -","- Br2 F21 K10 Mo6 O12 -","- Br4 F42 K20 Mo12 O24 -","2","0.5","","Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.","Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.","Inorganic chemistry","2014","53","1","221","228","10.1021/ic402177j","","","0.71073","MoKα","","0.0467","0.0434","","","0.1385","0.1421","","","","","","1.231","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337510","20.0779","0.0006","7.7588","0.0002","11.4828","0.0004","90","","90","","90","","1788.8","0.09","99.99","","99.99","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Br2 F27 K10 Nb6 O6 -","- Br2.001 F27 K10 Nb6 O6 -","- Br4.002 F54 K20 Nb12 O12 -","2","0.5","","Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.","Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.","Inorganic chemistry","2014","53","1","221","228","10.1021/ic402177j","","","0.71073","MoKα","","0.0326","0.0305","","","0.0835","0.085","","","","","","1.174","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337511","19.7095","0.0005","34.1319","0.0008","7.7539","0.0002","90","","90","","90","","5216.2","0.2","100","2","99.98","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Br12 F148 K60 Mo36 O58.32 -","- Br12 F148 K60 Mo36 O58.32 -","- Br12 F148 K60 Mo36 O58.32 -","1","0.125","","Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.","Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.","Inorganic chemistry","2014","53","1","221","228","10.1021/ic402177j","","","0.71073","MoKα","","0.1078","0.0989","","","0.2748","0.2818","","","","","","1.128","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337512","20.1125","0.0011","7.7382","0.0004","11.4797","0.0006","90","","90","","90","","1786.64","0.16","100","2","100","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Br F27 K10 Nb6 O6 -","- Br F27 K10 Nb6 O6 -","- Br2 F54 K20 Nb12 O12 -","2","0.5","","Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.","Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.","Inorganic chemistry","2014","53","1","221","228","10.1021/ic402177j","","","0.71073","MoKα","","0.0292","0.029","","","0.0843","0.0844","","","","","","1.17","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337513","20.072","0.0008","7.7549","0.0003","11.4644","0.0004","90","","90","","90","","1784.51","0.12","99.97","","99.97","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- F21 I2 K10 Mo6 O12 -","- F21 I1.9991 K10 Mo6 O12 -","- F42 I3.9982 K20 Mo12 O24 -","2","0.5","","Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.","Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.","Inorganic chemistry","2014","53","1","221","228","10.1021/ic402177j","","","0.71073","MoKα","","0.047","0.0427","","","0.1152","0.1186","","","","","","1.067","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337514","19.907","0.002","7.7643","0.001","11.2139","0.0014","90","","90","","90","","1733.3","0.4","100.02","","100.02","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cl2 F42.02 K20 Mo12 O24 -","- Cl2 F42.02 K20 Mo12 O24 -","- Cl2 F42.02 K20 Mo12 O24 -","1","0.25","","Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.","Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.","Inorganic chemistry","2014","53","1","221","228","10.1021/ic402177j","","","0.71073","MoKα","","0.0452","0.0425","","","0.1109","0.113","","","","","","1.033","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337515","11.2978","0.0003","19.1761","0.0005","7.7624","0.0002","90","","93.247","0.001","90","","1679.01","0.08","100.02","","100.02","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Br2 F27 K10 O6 V6 -","- Br1.9996 F27 K10 O6 V6 -","- Br3.9992 F54 K20 O12 V12 -","2","0.25","","Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.","Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.","Inorganic chemistry","2014","53","1","221","228","10.1021/ic402177j","","","0.71073","MoKα","","0.0362","0.0332","","","0.0911","0.0977","","","","","","1.157","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337516","20.3471","0.0006","7.8376","0.0003","11.6367","0.0003","90","","90","","90","","1855.73","0.1","299","2","299","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- F27 I2 K10 Nb6 O6 -","- F27 I2 K10 Nb6 O6 -","- F54 I4 K20 Nb12 O12 -","2","0.5","","Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.","Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.","Inorganic chemistry","2014","53","1","221","228","10.1021/ic402177j","","","0.71073","MoKα","","0.0593","0.0434","","","0.1028","0.1088","","","","","","0.949","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337517","19.2623","0.0006","19.2623","0.0006","7.7318","0.0002","90","","90","","120","","2484.43","0.13","100","","100.07","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl F83 K30 O18 V18 -","- Cl F83 K30 O18 V18 -","- Cl F83 K30 O18 V18 -","1","0.0833333","","Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.","Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.","Inorganic chemistry","2014","53","1","221","228","10.1021/ic402177j","","","0.71073","MoKα","","0.0623","0.0613","","","0.1754","0.1774","","","","","","1.132","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337518","10.471","0.003","3.2059","0.001","4.6977","0.0014","90","","90","","90","","157.7","0.08","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F Fe H O -","- F Fe H O -","- F4 Fe4 H4 O4 -","4","0.5","","Ben Yahia, Hamdi; Shikano, Masahiro; Tabuchi, Mitsuharu; Kobayashi, Hironori; Avdeev, Maxim; Tan, Thiam Teck; Liu, Samuel; Ling, Chris D.","Synthesis and characterization of the crystal and magnetic structures and properties of the hydroxyfluorides Fe(OH)F and Co(OH)F.","Inorganic chemistry","2014","53","1","365","374","10.1021/ic402294g","","","0.71073","MoKα","","0.0211","0.0211","","","0.0519","0.0519","","","","1.14","1.14","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337519","9.929","0.005","15.766","0.008","11.506","0.006","90","0.006","114.326","0.005","90","0.006","1641.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 I2 N2 O6 Zn2 -","- C28 H44 I2 N2 O6 Zn2 -","- C56 H88 I4 N4 O12 Zn4 -","2","0.5","","Sanyal, Ria; Guha, Averi; Ghosh, Totan; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis","Influence of the coordination environment of zinc(II) complexes of designed Mannich ligands on phosphatase activity: a combined experimental and theoretical study.","Inorganic chemistry","2014","53","1","85","96","10.1021/ic4015493","","","0.71073","MoKα","","0.0901","0.0615","","","0.1336","0.1564","","","","","","1.024","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4337520","9.161","0.004","9.568","0.004","16.493","0.007","84.493","0.005","88.106","0.005","63.801","0.004","1291.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H38 Cl2 N2 O5 Zn -","- C21 H38 Cl2 N2 O5 Zn -","- C42 H76 Cl4 N4 O10 Zn2 -","2","1","","Sanyal, Ria; Guha, Averi; Ghosh, Totan; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis","Influence of the coordination environment of zinc(II) complexes of designed Mannich ligands on phosphatase activity: a combined experimental and theoretical study.","Inorganic chemistry","2014","53","1","85","96","10.1021/ic4015493","","","0.71073","MoKα","","0.0829","0.0605","","","0.1564","0.1732","","","","","","1.043","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4337521","9.936","0.003","15.907","0.004","11.429","0.003","90","","115.753","0.003","90","","1627","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Br2 N2 O6 Zn2 -","- C28 H44 Br2 N2 O6 Zn2 -","- C56 H88 Br4 N4 O12 Zn4 -","2","0.5","","Sanyal, Ria; Guha, Averi; Ghosh, Totan; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis","Influence of the coordination environment of zinc(II) complexes of designed Mannich ligands on phosphatase activity: a combined experimental and theoretical study.","Inorganic chemistry","2014","53","1","85","96","10.1021/ic4015493","","","0.71073","MoKα","","0.0575","0.045","","","0.116","0.1233","","","","","","1.048","","","","has coordinates,has disorder","288193","2023-12-08","17:12:23",""
"4337522","9.9384","0.0003","15.8724","0.0005","11.2234","0.0003","90","","115.353","0.001","90","","1599.93","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 N2 O6 Zn2 -","- C28 H44 Cl2 N2 O6 Zn2 -","- C56 H88 Cl4 N4 O12 Zn4 -","2","0.5","","Sanyal, Ria; Guha, Averi; Ghosh, Totan; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis","Influence of the coordination environment of zinc(II) complexes of designed Mannich ligands on phosphatase activity: a combined experimental and theoretical study.","Inorganic chemistry","2014","53","1","85","96","10.1021/ic4015493","","","0.71073","MoKα","","0.0423","0.0334","","","0.0884","0.0938","","","","","","1.03","","","","has coordinates,has disorder","288193","2023-12-08","17:12:23",""
"4337523","16.584","0.005","26.705","0.005","8.18","0.005","90","0.005","100.99","0.005","90","0.005","3556","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 La N6 O7 -","- C21 H27 La N6 O7 -","- C84 H108 La4 N24 O28 -","4","1","","Tang, Qun; Liu, Shuxia; Liu, Yiwei; He, Danfeng; Miao, Jun; Wang, Xingquan; Ji, Yujuan; Zheng, Zhiping","Color tuning and white light emission via in situ doping of luminescent lanthanide metal-organic frameworks.","Inorganic chemistry","2014","53","1","289","293","10.1021/ic402228g","","","0.71069","MoKα","","0.0754","0.0458","","","0.0777","0.0828","","","","","","1.042","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337524","16.6053","0.0004","26.7895","0.0008","8.1163","0.0002","90","","101.127","0.002","90","","3542.65","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N6 O7 Sm -","- C21 H27 N6 O7 Sm -","- C84 H108 N24 O28 Sm4 -","4","1","","Tang, Qun; Liu, Shuxia; Liu, Yiwei; He, Danfeng; Miao, Jun; Wang, Xingquan; Ji, Yujuan; Zheng, Zhiping","Color tuning and white light emission via in situ doping of luminescent lanthanide metal-organic frameworks.","Inorganic chemistry","2014","53","1","289","293","10.1021/ic402228g","","","0.71073","MoKα","","0.0558","0.0332","","","0.0716","0.0733","","","","","","1.012","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337525","16.176","","7.948","","27.278","","90","","93.5","","90","","3500.5","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N6 O7 Tb -","- C21 H27 N6 O7 Tb -","- C84 H108 N24 O28 Tb4 -","4","1","","Tang, Qun; Liu, Shuxia; Liu, Yiwei; He, Danfeng; Miao, Jun; Wang, Xingquan; Ji, Yujuan; Zheng, Zhiping","Color tuning and white light emission via in situ doping of luminescent lanthanide metal-organic frameworks.","Inorganic chemistry","2014","53","1","289","293","10.1021/ic402228g","","","0.71073","MoKα","","0.0708","0.0511","","","0.1384","0.146","","","","","","1.04","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337526","3.9511","0.0004","14.0715","0.0017","7.089","0.0009","90","","93.464","0.005","90","","393.41","0.08","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H6 F4 N Nb O -","- C4.98 H6 F4 N1.02 Nb O -","- C9.96 H12 F8 N2.04 Nb2 O2 -","2","0.5","","Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Liu, Zhengtang; Poeppelmeier, Kenneth R.","From solution to the solid state: control of niobium oxide-fluoride [NbOxFy]n- species.","Inorganic chemistry","2014","53","1","537","542","10.1021/ic402561g","","x-ray","0.71069","MoKα","","0.1165","0.0492","","","0.0617","0.0751","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337527","11.9876","0.0005","6.7669","0.0003","14.1792","0.0007","90","","90","","90","","1150.2","0.09","100","2","100","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C10 H10 F5 N2 Nb O -","- C10 H10 F5 N2 Nb O -","- C40 H40 F20 N8 Nb4 O4 -","4","0.5","","Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Liu, Zhengtang; Poeppelmeier, Kenneth R.","From solution to the solid state: control of niobium oxide-fluoride [NbOxFy]n- species.","Inorganic chemistry","2014","53","1","537","542","10.1021/ic402561g","","x-ray","0.71069","MoKα","","0.0206","0.0195","","","0.0512","0.0519","","","","","","1.019","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337528","18.5295","0.0011","25.7151","0.0015","19.4977","0.001","90","","93.491","0.002","90","","9273.2","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C162 H264 Cl3 Mn6 N18 O42 Os -","- C162 H253 Cl3 Mn6 N18 O42 Os -","- C324 H506 Cl6 Mn12 N36 O84 Os2 -","2","0.5","","Hoeke, Veronika; Stammler, Anja; Bögge, Hartmut; Schnack, Jürgen; Glaser, Thorsten","Strong and anisotropic superexchange in the single-molecule magnet (SMM) [MnIII(6)OsIII]3+: promoting SMM behavior through 3d-5d transition metal substitution.","Inorganic chemistry","2014","53","1","257","268","10.1021/ic4022068","","","0.71073","MoKα","","0.0316","0.0263","","","0.0643","0.0697","","","","","","1.097","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337529","7.3833","0.0003","8.5042","0.0003","12.6894","0.0005","80.127","0.002","80.033","0.003","79.988","0.002","764.53","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Cu3 N10 O14 S2 -","- C22 H20 Cu3 N10 O14 S2 -","- C22 H20 Cu3 N10 O14 S2 -","1","0.5","","Huang, Wei; Jin, Yuchao; Wu, Dayu; Wu, Genhua","Anion-tunable configuration isomerism and magnetic coupling in a tetranuclear discrete, one-dimensional (1D) chiral chain and 1D-decker copper(II) complexes of a carbohydrazine derivative.","Inorganic chemistry","2014","53","1","73","79","10.1021/ic4014027","","","0.71073","MoKα","","0.0852","0.0767","","","0.1855","0.1886","","","","","","1.234","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337530","8.3845","0.0002","8.3845","0.0002","19.2943","0.0011","90","","90","","90","","1356.39","0.09","296","2","296","2","","","","","","","","6","P 41","P 4w","76","","","","- C11 H8 Cl Cu N5 O5 -","- C11 H8 Cl Cu N5 O5 -","- C44 H32 Cl4 Cu4 N20 O20 -","4","1","","Huang, Wei; Jin, Yuchao; Wu, Dayu; Wu, Genhua","Anion-tunable configuration isomerism and magnetic coupling in a tetranuclear discrete, one-dimensional (1D) chiral chain and 1D-decker copper(II) complexes of a carbohydrazine derivative.","Inorganic chemistry","2014","53","1","73","79","10.1021/ic4014027","","","0.71073","MoKα","","0.1021","0.0865","","","0.2277","0.2415","","","","","","1.072","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337531","9.1816","0.0003","10.7148","0.0004","11.2422","0.0003","62.331","0.003","85.798","0.003","85.028","0.003","975.15","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Cu4 N10 O16 -","- C30 H36 Cu4 N10 O16 -","- C30 H36 Cu4 N10 O16 -","1","0.5","","Huang, Wei; Jin, Yuchao; Wu, Dayu; Wu, Genhua","Anion-tunable configuration isomerism and magnetic coupling in a tetranuclear discrete, one-dimensional (1D) chiral chain and 1D-decker copper(II) complexes of a carbohydrazine derivative.","Inorganic chemistry","2014","53","1","73","79","10.1021/ic4014027","","","0.71073","MoKα","","0.0434","0.0358","","","0.096","0.0998","","","","","","1.064","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337532","20.276","0.005","13.306","0.003","16.615","0.004","90","","108.177","0.005","90","","4258.9","1.8","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H65 N3 O3 Yb -","- C42 H57 N3 O3 Yb -","- C168 H228 N12 O12 Yb4 -","4","1","","Yang, Sheng; Nie, Kun; Zhang, Yong; Xue, Mingqiang; Yao, Yingming; Shen, Qi","New [ONOO]-type amine bis(phenolate) ytterbium(II) and -(III) complexes: synthesis, structure, and catalysis for highly heteroselective polymerization of rac-lactide.","Inorganic chemistry","2014","53","1","105","115","10.1021/ic401747n","","","0.71075","MoKα","","0.0566","0.044","","","0.1188","0.1303","","","","","","1.086","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337533","13.552","0.004","17.092","0.005","17.402","0.006","90","","104.584","0.007","90","","3901","2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H57 N3 O3 Yb -","- C38.5 H53 N3 O3 Yb -","- C154 H212 N12 O12 Yb4 -","4","1","","Yang, Sheng; Nie, Kun; Zhang, Yong; Xue, Mingqiang; Yao, Yingming; Shen, Qi","New [ONOO]-type amine bis(phenolate) ytterbium(II) and -(III) complexes: synthesis, structure, and catalysis for highly heteroselective polymerization of rac-lactide.","Inorganic chemistry","2014","53","1","105","115","10.1021/ic401747n","","","0.71075","MoKα","","0.0773","0.0548","","","0.1531","0.2295","","","","","","1.142","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337534","16.6627","0.0016","20.8999","0.0019","25.771","0.002","90","","90","","90","","8974.7","1.4","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C91 H130 N2 O8 Yb2 -","- C91 H106 N2 O8 Yb2 -","- C364 H424 N8 O32 Yb8 -","4","0.5","","Yang, Sheng; Nie, Kun; Zhang, Yong; Xue, Mingqiang; Yao, Yingming; Shen, Qi","New [ONOO]-type amine bis(phenolate) ytterbium(II) and -(III) complexes: synthesis, structure, and catalysis for highly heteroselective polymerization of rac-lactide.","Inorganic chemistry","2014","53","1","105","115","10.1021/ic401747n","","","0.71075","MoKα","","0.0995","0.0787","","","0.1432","0.156","","","","","","1.157","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337535","15.387","0.002","16.533","0.002","18.915","0.003","90","","90","","90","","4811.8","1.1","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H76 N O5 Yb -","- C49 H76 N O5 Yb -","- C196 H304 N4 O20 Yb4 -","4","1","","Yang, Sheng; Nie, Kun; Zhang, Yong; Xue, Mingqiang; Yao, Yingming; Shen, Qi","New [ONOO]-type amine bis(phenolate) ytterbium(II) and -(III) complexes: synthesis, structure, and catalysis for highly heteroselective polymerization of rac-lactide.","Inorganic chemistry","2014","53","1","105","115","10.1021/ic401747n","","","0.71075","MoKα","","0.0483","0.0427","","","0.0815","0.0843","","","","","","1.077","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337536","12.3637","0.0009","7.6175","0.0006","18.332","0.0014","90","","102.966","0.001","90","","1682.5","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetraethylammonium Chloropentacarbonyltungstate(0)","","- C13 H20 Cl N O5 W -","- C13 H20 Cl N O5 W -","- C52 H80 Cl4 N4 O20 W4 -","4","0.5","","Greene, Angelique F.; Chandrasekaran, P.; Yan, Yong; Mague, Joel T.; Donahue, James P.","Element misidentification in X-ray crystallography: a reassessment of the [MCl2(diazadiene)] (M = Cr, Mo, W) series.","Inorganic chemistry","2014","53","1","308","317","10.1021/ic402246d","","","0.71073","MoKα","","0.0175","0.0141","","","0.0324","0.0342","","","","","","1.09","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337537","31.074","0.012","31.074","0.012","13.293","0.005","90","","90","","120","","11116","7","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","fac-trichlorotris(trimethylphosphine)tungsten(III)","","- C9 H27 Cl3 P3 W -","- C9 H27 Cl3 P3 W -","- C216 H648 Cl72 P72 W24 -","24","1.33333","","Greene, Angelique F.; Chandrasekaran, P.; Yan, Yong; Mague, Joel T.; Donahue, James P.","Element misidentification in X-ray crystallography: a reassessment of the [MCl2(diazadiene)] (M = Cr, Mo, W) series.","Inorganic chemistry","2014","53","1","308","317","10.1021/ic402246d","","","0.71073","MoKα","","0.0541","0.0401","","","0.0806","0.087","","","","","","1.027","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337538","12.6703","0.0002","14.4861","0.0002","14.1761","0.0002","90","","90.837","0.001","90","","2601.65","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Cl4 N2 Zn -","- C23.0004 H28 Cl4.0008 N2 Zn -","- C92.0016 H112 Cl16.0032 N8 Zn4 -","4","1","","Greene, Angelique F.; Chandrasekaran, P.; Yan, Yong; Mague, Joel T.; Donahue, James P.","Element misidentification in X-ray crystallography: a reassessment of the [MCl2(diazadiene)] (M = Cr, Mo, W) series.","Inorganic chemistry","2014","53","1","308","317","10.1021/ic402246d","","","0.71073","MoKα","","0.0682","0.0514","","","0.1343","0.1442","","","","","","1.118","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337539","12.625","0.003","14.625","0.003","14.336","0.003","90","","90.002","0.03","90","","2647","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Br2 Cl2 N2 Zn -","- C23 H30 Br2 Cl2 N2 Zn -","- C92 H120 Br8 Cl8 N8 Zn4 -","4","1","","Greene, Angelique F.; Chandrasekaran, P.; Yan, Yong; Mague, Joel T.; Donahue, James P.","Element misidentification in X-ray crystallography: a reassessment of the [MCl2(diazadiene)] (M = Cr, Mo, W) series.","Inorganic chemistry","2014","53","1","308","317","10.1021/ic402246d","","","0.71073","MoKα","","0.064","0.0465","","","0.1177","0.1225","","","","","","0.964","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337540","5.4456","0.0003","8.5381","0.0005","8.8381","0.0005","71.126","0.001","72.806","0.001","86.962","0.001","371.04","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl4 N2 O2 Pu -","- C10 H10 Cl4 N2 O2 Pu -","- C10 H10 Cl4 N2 O2 Pu -","1","0.5","","Wilson, Richard E.; Schnaars, David D.; Andrews, Michael B.; Cahill, C. L.","Supramolecular interactions in PuO2Cl4(2-) and PuCl6(2-) complexes with protonated pyridines: synthesis, crystal structures, and Raman spectroscopy.","Inorganic chemistry","2014","53","1","383","392","10.1021/ic4023294","","","0.71073","MoKα","","0.0113","0.0113","","","0.027","0.027","","","","","","1.044","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337541","6.9002","0.0018","8.077","0.002","8.304","0.002","81.327","0.003","74.563","0.003","66.512","0.003","408.62","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl4 N2 O2 Pu -","- C12 H12 Cl4 N2 O2 Pu -","- C12 H12 Cl4 N2 O2 Pu -","1","0.5","","Wilson, Richard E.; Schnaars, David D.; Andrews, Michael B.; Cahill, C. L.","Supramolecular interactions in PuO2Cl4(2-) and PuCl6(2-) complexes with protonated pyridines: synthesis, crystal structures, and Raman spectroscopy.","Inorganic chemistry","2014","53","1","383","392","10.1021/ic4023294","","","0.71073","MoKα","","0.0368","0.0349","","","0.0627","0.0638","","","","","","1.017","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337542","12.6101","0.0009","11.6363","0.0009","12.2529","0.0012","90","","101.441","0.001","90","","1762.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Cl4 N2 O2 Pu -","- C13 H16 Cl4 N2 O2 Pu -","- C52 H64 Cl16 N8 O8 Pu4 -","4","0.5","","Wilson, Richard E.; Schnaars, David D.; Andrews, Michael B.; Cahill, C. L.","Supramolecular interactions in PuO2Cl4(2-) and PuCl6(2-) complexes with protonated pyridines: synthesis, crystal structures, and Raman spectroscopy.","Inorganic chemistry","2014","53","1","383","392","10.1021/ic4023294","","","0.71073","MoKα","","0.0246","0.0179","","","0.0425","0.0458","","","","","","1.029","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337543","7.0418","0.0013","9.8282","0.0018","11.438","0.002","72.093","0.003","72.116","0.004","77.488","0.004","710.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 Cl6 N6 O4 Pu -","- C20 H26 Cl6 N6 O4 Pu -","- C20 H26 Cl6 N6 O4 Pu -","1","0.5","","Wilson, Richard E.; Schnaars, David D.; Andrews, Michael B.; Cahill, C. L.","Supramolecular interactions in PuO2Cl4(2-) and PuCl6(2-) complexes with protonated pyridines: synthesis, crystal structures, and Raman spectroscopy.","Inorganic chemistry","2014","53","1","383","392","10.1021/ic4023294","","","0.71073","MoKα","","0.0271","0.0261","","","0.052","0.0525","","","","","","1.081","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337544","7.4284","0.0011","16.051","0.002","14.1729","0.0017","90","","113.294","0.006","90","","1552.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl10 N4 O2 Pu2 -","- C20 H20 Cl10 N4 O2 Pu2 -","- C40 H40 Cl20 N8 O4 Pu4 -","2","0.5","","Wilson, Richard E.; Schnaars, David D.; Andrews, Michael B.; Cahill, C. L.","Supramolecular interactions in PuO2Cl4(2-) and PuCl6(2-) complexes with protonated pyridines: synthesis, crystal structures, and Raman spectroscopy.","Inorganic chemistry","2014","53","1","383","392","10.1021/ic4023294","","","0.71073","MoKα","","0.064","0.0303","","","0.0587","0.0696","","","","","","1.033","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337545","7.3488","0.0008","10.9808","0.0012","12.0278","0.0014","83.524","0.002","73.93","0.002","88.64","0.002","926.69","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cl10 N6 Pu -","- C30 H30 Cl10 N6 Pu -","- C30 H30 Cl10 N6 Pu -","1","0.5","","Wilson, Richard E.; Schnaars, David D.; Andrews, Michael B.; Cahill, C. L.","Supramolecular interactions in PuO2Cl4(2-) and PuCl6(2-) complexes with protonated pyridines: synthesis, crystal structures, and Raman spectroscopy.","Inorganic chemistry","2014","53","1","383","392","10.1021/ic4023294","","","0.71073","MoKα","","0.0322","0.0287","","","0.0573","0.0587","","","","","","1.013","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337546","7.9292","0.0016","9.1715","0.0019","13.182","0.003","76.27","0.004","89.413","0.004","82.04","0.003","922","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cl6 N2 Pu -","- C12 H14 Cl6 N2 Pu -","- C24 H28 Cl12 N4 Pu2 -","2","1","","Wilson, Richard E.; Schnaars, David D.; Andrews, Michael B.; Cahill, C. L.","Supramolecular interactions in PuO2Cl4(2-) and PuCl6(2-) complexes with protonated pyridines: synthesis, crystal structures, and Raman spectroscopy.","Inorganic chemistry","2014","53","1","383","392","10.1021/ic4023294","","","0.71073","MoKα","","0.028","0.0236","","","0.0527","0.0547","","","","","","1.027","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337547","17.4103","0.0015","23.7012","0.0017","20.3902","0.0011","90","","104.701","0.002","90","","8138.5","1","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H65 Fe2 Mn2 N19 O7 -","- C82 H65 Fe2 Mn2 N19 O7 -","- C328 H260 Fe8 Mn8 N76 O28 -","4","1","","Shen, Xiaoping; Zhou, Hongbo; Yan, Jiahao; Li, Yanfeng; Zhou, Hu","Syntheses, crystal structures, and magnetic properties of four new cyano-bridged bimetallic complexes based on the mer-[Fe(III)(qcq)(CN)3]- building block.","Inorganic chemistry","2014","53","1","116","127","10.1021/ic401753y","","","0.71073","MoKα","","0.0685","0.0475","","","0.1174","0.1246","","","","","","1.074","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337548","17.6439","0.0015","23.7322","0.0017","20.535","0.002","90","","105.385","0.003","90","","8290.5","1.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H64 Fe2 Mn2 N16 O10 -","- C78 H64 Fe2 Mn2 N16 O10 -","- C312 H256 Fe8 Mn8 N64 O40 -","4","1","","Shen, Xiaoping; Zhou, Hongbo; Yan, Jiahao; Li, Yanfeng; Zhou, Hu","Syntheses, crystal structures, and magnetic properties of four new cyano-bridged bimetallic complexes based on the mer-[Fe(III)(qcq)(CN)3]- building block.","Inorganic chemistry","2014","53","1","116","127","10.1021/ic401753y","","","0.71073","MoKα","","0.0824","0.0587","","","0.126","0.1321","","","","","","1.052","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337549","13.184","0.003","13.904","0.003","15.349","0.003","95.66","0.03","106.3","0.03","98.89","0.03","2638","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H42 Fe2 Mn N14 O5 -","- C56 H40 Fe2 Mn N14 O5 -","- C112 H80 Fe4 Mn2 N28 O10 -","2","1","","Shen, Xiaoping; Zhou, Hongbo; Yan, Jiahao; Li, Yanfeng; Zhou, Hu","Syntheses, crystal structures, and magnetic properties of four new cyano-bridged bimetallic complexes based on the mer-[Fe(III)(qcq)(CN)3]- building block.","Inorganic chemistry","2014","53","1","116","127","10.1021/ic401753y","","","0.71073","MoKα","","0.1136","0.0893","","","0.1815","0.1995","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337550","12.6301","0.0013","16.0901","0.0015","17.9602","0.0014","96.881","0.002","109.572","0.003","109.261","0.002","3135.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H47 Fe2 Mn N17 O4 -","- C70 H47 Fe2 Mn N17 O4 -","- C140 H94 Fe4 Mn2 N34 O8 -","2","1","","Shen, Xiaoping; Zhou, Hongbo; Yan, Jiahao; Li, Yanfeng; Zhou, Hu","Syntheses, crystal structures, and magnetic properties of four new cyano-bridged bimetallic complexes based on the mer-[Fe(III)(qcq)(CN)3]- building block.","Inorganic chemistry","2014","53","1","116","127","10.1021/ic401753y","","","0.71073","MoKα","","0.0808","0.0585","","","0.1123","0.1171","","","","","","1.026","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337551","17.3556","0.0017","22.004","0.002","31.228","0.003","90","","82.541","0.003","90","","11824.8","1.9","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H162 Cl8 N32 O71 Zn2 -","- C48 H48 Cl8 N32 O16 Zn2 -","- C192 H192 Cl32 N128 O64 Zn8 -","4","1","","Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Liang, Li-Li; Ni, Xin-Long; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Dong, Nan; Tao, Zhu","Tetrachloridometallate dianion-induced cucurbit[8]uril supramolecular assemblies with large channels and their potential applications for extraction coating on solid-phase microextraction fibers.","Inorganic chemistry","2014","53","1","21","23","10.1021/ic4025684","","","0.71073","MoKα","","0.1657","0.0742","","","0.1929","0.2168","","","","","","0.841","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337552","17.659","0.004","21.661","0.005","30.507","0.008","90","","98.17","0.004","90","","11551","5","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H172 Cl8 N32 Ni2 O76 -","- C48 H48 Cl8 N32 Ni2 O16 -","- C192 H192 Cl32 N128 Ni8 O64 -","4","1","","Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Liang, Li-Li; Ni, Xin-Long; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Dong, Nan; Tao, Zhu","Tetrachloridometallate dianion-induced cucurbit[8]uril supramolecular assemblies with large channels and their potential applications for extraction coating on solid-phase microextraction fibers.","Inorganic chemistry","2014","53","1","21","23","10.1021/ic4025684","","","0.71073","MoKα","","0.1187","0.0512","","","0.1195","0.1327","","","","","","0.826","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337553","17.591","0.002","30.659","0.004","23.036","0.003","90","","108.474","0.002","90","","11784","3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H196 Cd2 Cl4 N32 O88 -","- C48 H48 Cd2 Cl8 N32 O16 -","- C192 H192 Cd8 Cl32 N128 O64 -","4","1","","Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Liang, Li-Li; Ni, Xin-Long; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Dong, Nan; Tao, Zhu","Tetrachloridometallate dianion-induced cucurbit[8]uril supramolecular assemblies with large channels and their potential applications for extraction coating on solid-phase microextraction fibers.","Inorganic chemistry","2014","53","1","21","23","10.1021/ic4025684","","","0.71073","MoKα","","0.0759","0.0435","","","0.1035","0.1103","","","","","","0.879","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337554","17.632","0.002","22.527","0.003","30.21","0.003","90","","97.638","0.004","90","","11893","2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H142 Cl8 N34 O53 Zn2 -","- C48 H48 Cl8 N32 O16 Zn2 -","- C192 H192 Cl32 N128 O64 Zn8 -","4","1","","Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Liang, Li-Li; Ni, Xin-Long; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Dong, Nan; Tao, Zhu","Tetrachloridometallate dianion-induced cucurbit[8]uril supramolecular assemblies with large channels and their potential applications for extraction coating on solid-phase microextraction fibers.","Inorganic chemistry","2014","53","1","21","23","10.1021/ic4025684","","","0.71073","MoKα","","0.0873","0.0569","","","0.1445","0.1573","","","","","","0.959","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337555","16.2221","0.0007","13.9144","0.0007","15.453","0.0005","90","","109.799","0.002","90","","3281.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl2 Cu2 N14 O9 -","- C24 H26 Cl2 Cu2 N14 O9 -","- C96 H104 Cl8 Cu8 N56 O36 -","4","1","","Hernández-Gil, Javier; Ferrer, Sacramento; Castiñeiras, Alfonso; Liu-González, Malva; Lloret, Francesc; Ribes, Angela; Coga, Lucija; Bernecker, Anja; Mareque-Rivas, Juan C","Two novel ternary dicopper(II) μ-guanazole complexes with aromatic amines strongly activated by quantum dots for DNA cleavage.","Inorganic chemistry","2014","53","1","578","593","10.1021/ic4027249","","","0.71073","MoKα","","0.0801","0.05","","","0.1347","0.1618","","","","","","1.083","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337556","10.725","0.005","12.31","0.005","14.278","0.005","103.673","0.005","102.037","0.005","108.806","0.005","1648.7","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 Cu2 N13 O14 -","- C26 H25 Cu2 N13 O14 -","- C52 H50 Cu4 N26 O28 -","2","1","","Hernández-Gil, Javier; Ferrer, Sacramento; Castiñeiras, Alfonso; Liu-González, Malva; Lloret, Francesc; Ribes, Angela; Coga, Lucija; Bernecker, Anja; Mareque-Rivas, Juan C","Two novel ternary dicopper(II) μ-guanazole complexes with aromatic amines strongly activated by quantum dots for DNA cleavage.","Inorganic chemistry","2014","53","1","578","593","10.1021/ic4027249","","","0.71069","MoKα","","0.0921","0.0603","","","0.1631","0.2029","","","","","","1.078","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337557","7.83","0.0008","31.718","0.009","8.1626","0.0017","90","","91.454","0.015","90","","2026.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H12 N7 O3 Re -","- C21 H12 N7 O3 Re -","- C84 H48 N28 O12 Re4 -","4","1","","Werrett, Melissa V.; Muzzioli, Sara; Wright, Phillip J.; Palazzi, Antonio; Raiteri, Paolo; Zacchini, Stefano; Massi, Massimiliano; Stagni, Stefano","Proton-induced reversible modulation of the luminescent output of rhenium(I), iridium(III), and ruthenium(II) tetrazolate complexes.","Inorganic chemistry","2014","53","1","229","243","10.1021/ic402187e","","","0.71073","MoKα","","0.0586","0.0394","","","0.097","0.1013","","","","","","0.949","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337558","13.3153","0.0006","11.0529","0.0005","18.4096","0.0008","90","","103.447","0.001","90","","2635.1","0.2","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 F3 N6 O6 Re S -","- C23 H14 F3 N6 O6 Re S -","- C92 H56 F12 N24 O24 Re4 S4 -","4","1","","Werrett, Melissa V.; Muzzioli, Sara; Wright, Phillip J.; Palazzi, Antonio; Raiteri, Paolo; Zacchini, Stefano; Massi, Massimiliano; Stagni, Stefano","Proton-induced reversible modulation of the luminescent output of rhenium(I), iridium(III), and ruthenium(II) tetrazolate complexes.","Inorganic chemistry","2014","53","1","229","243","10.1021/ic402187e","","","0.71073","MoKα","","0.0267","0.0201","","","0.0459","0.0487","","","","","","1.025","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337559","26.563","0.003","19.134","0.002","12.9609","0.0014","90","","118.078","0.001","90","","5812.2","1.1","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H16.5 F3 N6 O6.25 Re S -","- C24 H16.5 F3 N6 O6.25 Re S -","- C192 H132 F24 N48 O50 Re8 S8 -","8","1","","Werrett, Melissa V.; Muzzioli, Sara; Wright, Phillip J.; Palazzi, Antonio; Raiteri, Paolo; Zacchini, Stefano; Massi, Massimiliano; Stagni, Stefano","Proton-induced reversible modulation of the luminescent output of rhenium(I), iridium(III), and ruthenium(II) tetrazolate complexes.","Inorganic chemistry","2014","53","1","229","243","10.1021/ic402187e","","","0.71073","MoKα","","0.036","0.0257","","","0.0621","0.0677","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337560","15.854","0.005","11.86","0.003","14.429","0.004","90","","100.176","0.003","90","","2670.4","1.3","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 F3 N7 O6 Re S -","- C24 H13 F3 N7 O6 Re S -","- C96 H52 F12 N28 O24 Re4 S4 -","4","1","","Werrett, Melissa V.; Muzzioli, Sara; Wright, Phillip J.; Palazzi, Antonio; Raiteri, Paolo; Zacchini, Stefano; Massi, Massimiliano; Stagni, Stefano","Proton-induced reversible modulation of the luminescent output of rhenium(I), iridium(III), and ruthenium(II) tetrazolate complexes.","Inorganic chemistry","2014","53","1","229","243","10.1021/ic402187e","","","0.71073","MoKα","","0.0289","0.0226","","","0.0577","0.0609","","","","","","1.019","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337561","15.813","0.002","11.6452","0.0017","14.579","0.002","90","","99.299","0.002","90","","2649.4","0.6","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F3 N6 O7 Re S -","- C24 H14 F3 N6 O7 Re S -","- C96 H56 F12 N24 O28 Re4 S4 -","4","1","","Werrett, Melissa V.; Muzzioli, Sara; Wright, Phillip J.; Palazzi, Antonio; Raiteri, Paolo; Zacchini, Stefano; Massi, Massimiliano; Stagni, Stefano","Proton-induced reversible modulation of the luminescent output of rhenium(I), iridium(III), and ruthenium(II) tetrazolate complexes.","Inorganic chemistry","2014","53","1","229","243","10.1021/ic402187e","","","0.71073","MoKα","","0.06","0.0354","","","0.0876","0.1035","","","","","","0.996","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337562","10.908","0.002","11.003","0.002","13.106","0.002","66.945","0.002","79.886","0.002","65.53","0.002","1317.2","0.4","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H13 F3 N7 O6 Re S -","- C22 H13 F3 N7 O6 Re S -","- C44 H26 F6 N14 O12 Re2 S2 -","2","1","","Werrett, Melissa V.; Muzzioli, Sara; Wright, Phillip J.; Palazzi, Antonio; Raiteri, Paolo; Zacchini, Stefano; Massi, Massimiliano; Stagni, Stefano","Proton-induced reversible modulation of the luminescent output of rhenium(I), iridium(III), and ruthenium(II) tetrazolate complexes.","Inorganic chemistry","2014","53","1","229","243","10.1021/ic402187e","","","0.71073","MoKα","","0.0473","0.0327","","","0.0672","0.0728","","","","","","1.052","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337563","14.9375","0.0012","9.6047","0.0008","18.274","0.0015","90","","91.582","0.001","90","","2620.8","0.4","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 F3 N6 O7 Re S -","- C22 H14 F3 N6 O7 Re S -","- C88 H56 F12 N24 O28 Re4 S4 -","4","1","","Werrett, Melissa V.; Muzzioli, Sara; Wright, Phillip J.; Palazzi, Antonio; Raiteri, Paolo; Zacchini, Stefano; Massi, Massimiliano; Stagni, Stefano","Proton-induced reversible modulation of the luminescent output of rhenium(I), iridium(III), and ruthenium(II) tetrazolate complexes.","Inorganic chemistry","2014","53","1","229","243","10.1021/ic402187e","","","0.71073","MoKα","","0.0481","0.0352","","","0.0904","0.0986","","","","","","1.042","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337564","12.1242","0.0001","12.6939","0.0001","18.6708","0.0002","109.595","0.0005","93.161","0.0005","112.991","0.0005","2433.98","0.04","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C53 H49 Mo2 N7 O8 -","- C53 H49 Mo2 N7 O8 -","- C106 H98 Mo4 N14 O16 -","2","1","","Brown-Xu, Samantha E; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Spilker, Thomas F.; Young, Philip J.","Mo2 paddlewheel complexes functionalized with a single MLCT, S1 infrared-active carboxylate reporter ligand: preparation and studies of ground and photoexcited states.","Inorganic chemistry","2014","53","1","637","644","10.1021/ic402775s","","x-ray","0.71073","MoKα","","0.051","0.0328","","","0.0773","0.0843","","","","","","1.056","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337565","20.3501","0.001","26.4964","0.0015","26.964","0.0019","90","","90","","90","","14539.1","1.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","8","P 21 21 21","P 2ac 2ab","19","","tetra(N""-(2,2'-bipyridinetricarbony-rhenium(I))-N,N'-diphenyl- isonicotamidate)(acetonitrile)dirhodium(II) tetrakis(hexafluorophospate), acetonitrile disolvate","","- C130 H97 F24 N23 O12 P4 Re4 Rh2 -","- C130 H97 F24 N23 O12 P4 Re4 Rh2 -","- C520 H388 F96 N92 O48 P16 Re16 Rh8 -","4","1","","Chartrand, Daniel; Hanan, Garry S.","Rhodium amidinate dimers as structural and functional hubs for multimetallic assemblies.","Inorganic chemistry","2014","53","1","624","636","10.1021/ic4024585","","","1.54178","CuKα","","0.1374","0.1087","","","0.2779","0.303","","","","","","1.126","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337566","25.6654","0.0014","27.3601","0.0015","21.9392","0.0011","90","","113.913","0.003","90","","14083.5","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetra(N,N'-diphenyl-isonicotamidate) dirhodium, dimethylsulfoxide pentasolvate, dihydrate","","- C77 H73 N12 O3.5 Rh2 S2.5 -","- C76.999 H72.997 N12 O3.4995 Rh2 S2.4995 -","- C615.992 H583.976 N96 O27.996 Rh16 S19.996 -","8","2","","Chartrand, Daniel; Hanan, Garry S.","Rhodium amidinate dimers as structural and functional hubs for multimetallic assemblies.","Inorganic chemistry","2014","53","1","624","636","10.1021/ic4024585","","","1.54178","CuKα","","0.0577","0.0535","","","0.152","0.1548","","","","","","1.072","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337567","12.692","0.002","17.182","0.003","21.751","0.003","75.315","0.008","77.197","0.008","73.324","0.007","4338.3","1.2","150","","150","","","","","","","","Synthesized by the authors. See text","8","P -1","-P 1","2","","acetonitrile(N""-(2,2'-bipyridinetricarbonyl-rhenium(I))-N,N'-diphenyl- isonicotinamidate)-tris(N,N'-diphenylisonicotinamidate)dirhodium(II,II) hexafluorophospate, acetonitrile 2.5 solvate","","- C92 H74.5 F6 N17.5 O3 P Re Rh2 -","- C92 H74.5 F6 N17.5 O3 P Re Rh2 -","- C184 H149 F12 N35 O6 P2 Re2 Rh4 -","2","1","","Chartrand, Daniel; Hanan, Garry S.","Rhodium amidinate dimers as structural and functional hubs for multimetallic assemblies.","Inorganic chemistry","2014","53","1","624","636","10.1021/ic4024585","","","1.54178","CuKα","","0.0775","0.0605","","","0.1346","0.1422","","","","","","1.164","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337568","29.056","0.006","12.987","0.003","52.124","0.012","90","","90.879","0.003","90","","19667","8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","[(tpe)Fe(NHC6H4CCH3)][Li(THF)4]","","","- C438 H564 Fe6 Li6 N24 O24 -","- C438 H564 Fe6 Li6 N24 O24 -","- C876 H1128 Fe12 Li12 N48 O48 -","2","1","","Sazama, Graham T.; Betley, Theodore A.","Multiple, disparate redox pathways exhibited by a tris(pyrrolido)ethane iron complex.","Inorganic chemistry","2014","53","1","269","281","10.1021/ic402210j","","","0.71073","MoKα","","0.1171","0.0778","","","0.1695","0.1885","","","","","","1.048","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4337569","12.256","0.003","27.789","0.006","18.113","0.004","90","","104.699","0.005","90","","5967","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(tpe)Fe(SBn)][Li(THF)2(Et2O)2]","","","- C64 H85.56 Fe Li N3 O4 S -","- C64 H85.602 Fe Li N3 O4 S -","- C256 H342.408 Fe4 Li4 N12 O16 S4 -","4","1","","Sazama, Graham T.; Betley, Theodore A.","Multiple, disparate redox pathways exhibited by a tris(pyrrolido)ethane iron complex.","Inorganic chemistry","2014","53","1","269","281","10.1021/ic402210j","","","0.71073","MoKα","","0.1004","0.0578","","","0.1426","0.1633","","","","","","1.021","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337570","12.082","0.004","12.281","0.003","41.471","0.012","93.38","0.005","95.44","0.005","90.334","0.008","6115","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C140 H178.1 Fe2 Li2 N10 O8 -","- C140 H178.1 Fe2 Li2 N10 O8 -","- C280 H356.2 Fe4 Li4 N20 O16 -","2","1","","Sazama, Graham T.; Betley, Theodore A.","Multiple, disparate redox pathways exhibited by a tris(pyrrolido)ethane iron complex.","Inorganic chemistry","2014","53","1","269","281","10.1021/ic402210j","","","0.71073","MoKα","","0.2139","0.1281","","","0.2618","0.2978","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337571","11.9043","0.0013","15.178","0.0016","20.739","0.002","69.777","0.002","76.321","0.002","71.438","0.004","3299.4","0.6","15","2","15","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H104 Fe Li N4 O5 -","- C70 H104 Fe Li N4 O5 -","- C140 H208 Fe2 Li2 N8 O10 -","2","1","","Sazama, Graham T.; Betley, Theodore A.","Multiple, disparate redox pathways exhibited by a tris(pyrrolido)ethane iron complex.","Inorganic chemistry","2014","53","1","269","281","10.1021/ic402210j","","","0.41328","synchrotron","","0.1284","0.1062","","","0.2251","0.2367","","","","","","1.196","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337572","12.0492","0.0003","13.4546","0.0004","36.7591","0.0009","90","","93.767","0.002","90","","5946.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H89 Fe Li N3 O5 -","- C66 H89 Fe Li N3 O5 -","- C264 H356 Fe4 Li4 N12 O20 -","4","1","","Sazama, Graham T.; Betley, Theodore A.","Multiple, disparate redox pathways exhibited by a tris(pyrrolido)ethane iron complex.","Inorganic chemistry","2014","53","1","269","281","10.1021/ic402210j","","","1.54178","CuKα","","0.1005","0.0621","","","0.138","0.1573","","","","","","1.015","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337573","12.8241","0.0014","22.32","0.002","22.456","0.003","109.209","0.002","91.476","0.002","92.858","0.002","6056.2","1.2","105","2","105","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H83 Fe Li N3 O4 P -","- C60 H83 Fe Li N3 O4 P -","- C240 H332 Fe4 Li4 N12 O16 P4 -","4","2","","Sazama, Graham T.; Betley, Theodore A.","Multiple, disparate redox pathways exhibited by a tris(pyrrolido)ethane iron complex.","Inorganic chemistry","2014","53","1","269","281","10.1021/ic402210j","","","0.71073","MoKα","","0.1238","0.0572","","","0.0904","0.1002","","","","","","1.001","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337574","29.151","0.003","29.151","0.003","24.933","0.003","90","","90","","120","","18349","3","100","2","100","2","","","","","","","","8","R 3 2 :H","R 3 2""","155","","","","- C249 H159 F2 N12 O65.25 P Ru2 Zn12 -","- C241.86 H154.188 F2.04 N11.586 O65.25 P1.02 Ru2 Zn12 -","- C725.58 H462.564 F6.12 N34.758 O195.75 P3.06 Ru6 Zn36 -","3","0.166667","","Whittington, Christi L.; Wojtas, Lukasz; Larsen, Randy W.","Ruthenium(II) tris(2,2'-bipyridine)-templated zinc(II) 1,3,5-tris(4-carboxyphenyl)benzene metal organic frameworks: structural characterization and photophysical properties.","Inorganic chemistry","2014","53","1","160","166","10.1021/ic402614w","","","0.41328","synchrotron","","0.0754","0.0531","","","0.1417","0.1527","","","","","","1.03","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337575","17.227","0.0005","23.5944","0.0008","23.7271","0.0006","90","","90","","90","","9644.1","0.5","228","2","228","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C264 H156 N8 O71.33 Ru1.33 Zn12 -","- C264.12 H156.64 N8.16 O71.44 Ru1.36 Zn12 -","- C264.12 H156.64 N8.16 O71.44 Ru1.36 Zn12 -","1","0.125","","Whittington, Christi L.; Wojtas, Lukasz; Larsen, Randy W.","Ruthenium(II) tris(2,2'-bipyridine)-templated zinc(II) 1,3,5-tris(4-carboxyphenyl)benzene metal organic frameworks: structural characterization and photophysical properties.","Inorganic chemistry","2014","53","1","160","166","10.1021/ic402614w","","","1.54178","CuKα","","0.1181","0.0773","","","0.2142","0.2353","","","","","","1.045","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337576","19.4779","0.0011","12.6964","0.0008","37.386","0.002","90","","90","","90","","9245.5","0.9","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H47 B20 Ir N2 O2 S2 -","- C37 H47 B20 Ir N2 O2 S2 -","- C296 H376 B160 Ir8 N16 O16 S16 -","8","1","","Bae, Hye Jin; Chung, Jin; Kim, Hyungjun; Park, Jihyun; Lee, Kang Mun; Koh, Tae-Wook; Lee, Yoon Sup; Yoo, Seunghyup; Do, Youngkyu; Lee, Min Hyung","Deep red phosphorescence of cyclometalated iridium complexes by o-carborane substitution.","Inorganic chemistry","2014","53","1","128","138","10.1021/ic401755m","","","0.71073","MoKα","","0.0926","0.0648","","","0.1797","0.2014","","","","","","1.013","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337577","20.133","0.002","16.8868","0.0017","16.0759","0.0016","90","","100.299","0.004","90","","5377.5","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H59 B20 Ir N2 O2 S2 -","- C43 H59 B20 Ir N2 O2 S2 -","- C172 H236 B80 Ir4 N8 O8 S8 -","4","1","","Bae, Hye Jin; Chung, Jin; Kim, Hyungjun; Park, Jihyun; Lee, Kang Mun; Koh, Tae-Wook; Lee, Yoon Sup; Yoo, Seunghyup; Do, Youngkyu; Lee, Min Hyung","Deep red phosphorescence of cyclometalated iridium complexes by o-carborane substitution.","Inorganic chemistry","2014","53","1","128","138","10.1021/ic401755m","","","0.71073","MoKα","","0.0987","0.0503","","","0.1237","0.1549","","","","","","1.01","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337578","29.2494","0.0019","18.6667","0.0011","20.5349","0.0013","90","","95.102","0.001","90","","11167.4","1.2","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C110 H82 Cu3 F36 N8 O14 -","- C110 H82 Cu3 F36 N8 O14 -","- C440 H328 Cu12 F144 N32 O56 -","4","1","","Ikeda, Mari; Ohno, Keiji; Kasumi, Yuki; Kuwahara, Shunsuke; Habata, Yoichi","Construction of an M3L2A6 cage with small windows from a flexible tripodal ligand and Cu(hfac)3.","Inorganic chemistry","2014","53","1","24","26","10.1021/ic402610q","","","0.71073","MoKα","","0.1012","0.0651","","","0.1685","0.1916","","","","","","1.042","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337579","29.418","0.003","18.8328","0.0017","20.7242","0.0018","90","","94.843","0.002","90","","11440.7","1.8","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C103 H67 Cl3 Cu3 F36 N8 O12 -","- C103 H66 Cl3 Cu3 F36 N8 O12 -","- C412 H264 Cl12 Cu12 F144 N32 O48 -","4","1","","Ikeda, Mari; Ohno, Keiji; Kasumi, Yuki; Kuwahara, Shunsuke; Habata, Yoichi","Construction of an M3L2A6 cage with small windows from a flexible tripodal ligand and Cu(hfac)3.","Inorganic chemistry","2014","53","1","24","26","10.1021/ic402610q","","","0.71073","MoKα","","0.1635","0.1021","","","0.3009","0.3487","","","","","","1.135","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337580","22.7206","0.0016","15.0666","0.001","21.6657","0.0013","90","","118.189","0.004","90","","6537","0.8","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 Ce F N3 Si6 -","- C18 H54 Ce F N3 Si6 -","- C144 H432 Ce8 F8 N24 Si48 -","8","2","","Williams, Ursula J.; Robinson, Jerome R.; Lewis, Andrew J.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","Synthesis, bonding, and reactivity of a cerium(IV) fluoride complex.","Inorganic chemistry","2014","53","1","27","29","10.1021/ic402769u","","","0.71073","MoKα","","0.0925","0.0683","","","0.1657","0.183","","","","","","1.13","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337581","8.7141","0.0004","18.2582","0.0008","21.197","0.0009","90","","97.711","0.002","90","","3342","0.3","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 F N3 Si6 U -","- C18 H54 F N3 Si6 U -","- C72 H216 F4 N12 Si24 U4 -","4","1","","Williams, Ursula J.; Robinson, Jerome R.; Lewis, Andrew J.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","Synthesis, bonding, and reactivity of a cerium(IV) fluoride complex.","Inorganic chemistry","2014","53","1","27","29","10.1021/ic402769u","","","0.71073","MoKα","","0.0187","0.0155","","","0.0348","0.0366","","","","","","1.123","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337582","25.86","0.002","13.5459","0.0009","23.8311","0.0019","90","","118.045","0.002","90","","7367.7","1","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","Zn2DPO.DAP","","","- C79 H88 N10 O Zn2 -","- C79 H88 N10 O Zn2 -","- C316 H352 N40 O4 Zn8 -","4","1","","Brahma, Sanfaori; Ikbal, Sk Asif; Rath, Sankar Prasad","Synthesis, structure, and properties of a series of chiral tweezer-diamine complexes consisting of an achiral zinc(II) bisporphyrin host and chiral diamine guest: induction and rationalization of supramolecular chirality.","Inorganic chemistry","2014","53","1","49","62","10.1021/ic401091r","","","0.71073","MoKα","","0.0745","0.0537","","","0.1029","0.1163","","","","","","0.949","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337583","24.136","0.005","13.526","0.005","24.539","0.005","90","0.005","116.872","0.005","90","0.005","7146","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Zn2DPO.CHDA","","","- C164 H182 N20 O2 Zn4 -","- C164 H182 N20 O2 Zn4 -","- C328 H364 N40 O4 Zn8 -","2","1","","Brahma, Sanfaori; Ikbal, Sk Asif; Rath, Sankar Prasad","Synthesis, structure, and properties of a series of chiral tweezer-diamine complexes consisting of an achiral zinc(II) bisporphyrin host and chiral diamine guest: induction and rationalization of supramolecular chirality.","Inorganic chemistry","2014","53","1","49","62","10.1021/ic401091r","","","0.71073","MoKα","","0.0933","0.0593","","","0.1319","0.1501","","","","","","0.984","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337584","26.094","0.002","13.6168","0.001","24.0581","0.0019","90","","119.703","0.001","90","","7425.1","1","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","Zn2DPO.PPDA","","","- C85 H92 N10 O Zn2 -","- C85 H92 N10 O Zn2 -","- C340 H368 N40 O4 Zn8 -","4","1","","Brahma, Sanfaori; Ikbal, Sk Asif; Rath, Sankar Prasad","Synthesis, structure, and properties of a series of chiral tweezer-diamine complexes consisting of an achiral zinc(II) bisporphyrin host and chiral diamine guest: induction and rationalization of supramolecular chirality.","Inorganic chemistry","2014","53","1","49","62","10.1021/ic401091r","","","0.71073","MoKα","","0.0879","0.065","","","0.1552","0.1759","","","","","","1.005","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337585","26.6269","0.0016","13.4266","0.0007","24.865","0.0012","90","","121.501","0.002","90","","7579.4","0.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","Zn2DPO.PEDA","","","- C173 H189 Cl10 N20 O2 Zn4 -","- C173 H189 Cl10 N20 O2 Zn4 -","- C346 H378 Cl20 N40 O4 Zn8 -","2","0.5","","Brahma, Sanfaori; Ikbal, Sk Asif; Rath, Sankar Prasad","Synthesis, structure, and properties of a series of chiral tweezer-diamine complexes consisting of an achiral zinc(II) bisporphyrin host and chiral diamine guest: induction and rationalization of supramolecular chirality.","Inorganic chemistry","2014","53","1","49","62","10.1021/ic401091r","","","0.71073","MoKα","","0.066","0.0564","","","0.144","0.1509","","","","","","1.02","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337586","25.188","0.005","14.481","0.003","23.119","0.004","90","","101.694","0.003","90","","8258","3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","Zn2DPO.DPEA","","","- C92 H96 Cl6 N10 O Zn2 -","- C92 H96 Cl6 N10 O Zn2 -","- C368 H384 Cl24 N40 O4 Zn8 -","4","1","","Brahma, Sanfaori; Ikbal, Sk Asif; Rath, Sankar Prasad","Synthesis, structure, and properties of a series of chiral tweezer-diamine complexes consisting of an achiral zinc(II) bisporphyrin host and chiral diamine guest: induction and rationalization of supramolecular chirality.","Inorganic chemistry","2014","53","1","49","62","10.1021/ic401091r","","","0.71073","MoKα","","0.1377","0.0785","","","0.1722","0.2128","","","","","","1.045","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337587","7.4565","0.0008","17.0215","0.0017","17.1578","0.0017","90","","97.28","0.002","90","","2160.1","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cu3.5 N6 O13.5 S -","- C12 H15 Cu3.5 N6 O13.5 S -","- C48 H60 Cu14 N24 O54 S4 -","4","1","","Yang, En-Cui; Zhang, Yuan-Yuan; Liu, Zhong-Yi; Zhao, Xiao-Jun","Diverse self-assembly from predesigned conformationally flexible pentanuclear clusters observed in a ternary copper(II)-triazolate-sulfoisophthalate system: synthesis, structure, and magnetism.","Inorganic chemistry","2014","53","1","327","335","10.1021/ic402280p","","","0.71073","MoKα","","0.0432","0.036","","","0.0828","0.0868","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337588","16.1491","0.0014","20.6896","0.0016","20.7592","0.0016","113.408","0.001","98.04","0.002","90.077","0.001","6290.3","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H82 Cu20 N60 O47 S4 -","- C72 H66 Cu20 N60 O45.5 S4 -","- C144 H132 Cu40 N120 O91 S8 -","2","1","","Yang, En-Cui; Zhang, Yuan-Yuan; Liu, Zhong-Yi; Zhao, Xiao-Jun","Diverse self-assembly from predesigned conformationally flexible pentanuclear clusters observed in a ternary copper(II)-triazolate-sulfoisophthalate system: synthesis, structure, and magnetism.","Inorganic chemistry","2014","53","1","327","335","10.1021/ic402280p","","","0.71073","MoKα","","0.0777","0.0455","","","0.1026","0.1111","","","","","","1.01","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337589","10.4774","0.0006","21.9744","0.0012","19.6644","0.001","90","","103.284","0.001","90","","4406.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 Cu6 N12 O23.5 S2 -","- C24 H28 Cu6 N12 O23.5 S2 -","- C96 H112 Cu24 N48 O94 S8 -","4","1","","Yang, En-Cui; Zhang, Yuan-Yuan; Liu, Zhong-Yi; Zhao, Xiao-Jun","Diverse self-assembly from predesigned conformationally flexible pentanuclear clusters observed in a ternary copper(II)-triazolate-sulfoisophthalate system: synthesis, structure, and magnetism.","Inorganic chemistry","2014","53","1","327","335","10.1021/ic402280p","","","0.71073","MoKα","","0.0626","0.0461","","","0.1118","0.121","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337590","8.869","0.0004","10.0658","0.0004","15.5522","0.0006","90","","95.733","0.004","90","","1381.46","0.1","123.01","0.1","123.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N4 -","- C18 H13 N4 -","- C72 H52 N16 -","4","1","","Morgan, Ian S.; Peuronen, Anssi; Hänninen, Mikko M; Reed, Robert W.; Clérac, Rodolphe; Tuononen, Heikki M.","1-Phenyl-3-(pyrid-2-yl)benzo[e][1,2,4]triazinyl: the first ""Blatter radical"" for coordination chemistry.","Inorganic chemistry","2014","53","1","33","35","10.1021/ic402954p","","","1.54184","CuKα","","0.0442","0.0354","","","0.094","0.1007","","","","","","1.02","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337591","29.6356","0.0007","12.609","0.0003","17.3227","0.0004","90","","111.937","0.002","90","","6004.4","0.3","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H15 Cu F12 N4 O4 -","- C28 H15 Cu F12 N4 O4 -","- C224 H120 Cu8 F96 N32 O32 -","8","2","","Morgan, Ian S.; Peuronen, Anssi; Hänninen, Mikko M; Reed, Robert W.; Clérac, Rodolphe; Tuononen, Heikki M.","1-Phenyl-3-(pyrid-2-yl)benzo[e][1,2,4]triazinyl: the first ""Blatter radical"" for coordination chemistry.","Inorganic chemistry","2014","53","1","33","35","10.1021/ic402954p","","","1.54184","CuKα","","0.0443","0.0362","","","0.0937","0.1","","","","","","1.024","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337592","15.5585","0.0003","12.681","0.0002","17.3525","0.0003","90","","113.14","0.002","90","","3148.16","0.11","293","0.1","293","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H15 Cu F12 N4 O4 -","- C27.999 H15 Cu F11.997 N4 O4 -","- C111.996 H60 Cu4 F47.988 N16 O16 -","4","1","","Morgan, Ian S.; Peuronen, Anssi; Hänninen, Mikko M; Reed, Robert W.; Clérac, Rodolphe; Tuononen, Heikki M.","1-Phenyl-3-(pyrid-2-yl)benzo[e][1,2,4]triazinyl: the first ""Blatter radical"" for coordination chemistry.","Inorganic chemistry","2014","53","1","33","35","10.1021/ic402954p","","","1.54184","CuKα","","0.0726","0.0633","","","0.1816","0.1945","","","","","","1.065","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337593","12.557","0.005","9.989","0.005","28.118","0.005","90","","100.49","0.005","90","","3468","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 N6 Ni3 O4 S2 -","- C36 H32 N6 Ni3 O4 S2 -","- C144 H128 N24 Ni12 O16 S8 -","4","1","","Das, Lakshmi Kanta; Biswas, Apurba; Gómez-García, Carlos J; Drew, Michael G. B.; Ghosh, Ashutosh","Isolation of two different Ni2Zn complexes with an unprecedented cocrystal formed by one of them and a ""coordination positional isomer"" of the other.","Inorganic chemistry","2014","53","1","434","445","10.1021/ic402415b","","","0.71073","MoKα","","0.0713","0.0405","","","0.0856","0.1003","","","","","","0.917","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337594","12.598","0.005","9.96","0.005","28.247","0.005","90","","101.299","0.005","90","","3476","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 N6 Ni2 O4 S2 Zn -","- C36 H32 N6 Ni2 O4 S2 Zn -","- C144 H128 N24 Ni8 O16 S8 Zn4 -","4","1","","Das, Lakshmi Kanta; Biswas, Apurba; Gómez-García, Carlos J; Drew, Michael G. B.; Ghosh, Ashutosh","Isolation of two different Ni2Zn complexes with an unprecedented cocrystal formed by one of them and a ""coordination positional isomer"" of the other.","Inorganic chemistry","2014","53","1","434","445","10.1021/ic402415b","","","0.71073","MoKα","","0.0869","0.067","","","0.1767","0.1925","","","","","","1.058","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337595","12.162","0.005","16.153","0.007","22.493","0.009","90","","94.635","0.005","90","","4404","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 N6 Ni2 O8 S2 Zn -","- C40 H48 N6 Ni2 O8 S2 Zn -","- C160 H192 N24 Ni8 O32 S8 Zn4 -","4","1","","Das, Lakshmi Kanta; Biswas, Apurba; Gómez-García, Carlos J; Drew, Michael G. B.; Ghosh, Ashutosh","Isolation of two different Ni2Zn complexes with an unprecedented cocrystal formed by one of them and a ""coordination positional isomer"" of the other.","Inorganic chemistry","2014","53","1","434","445","10.1021/ic402415b","","","0.71073","MoKα","","0.1131","0.0717","","","0.198","0.2276","","","","","","1.045","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337596","27.683","0.014","9.304","0.005","30.671","0.015","90","","95.513","0.005","90","","7863","7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H38 N6 Ni2 O6 S2 Zn -","- C37 H36 N6 Ni2 O6 S2 Zn -","- C296 H288 N48 Ni16 O48 S16 Zn8 -","8","1","","Das, Lakshmi Kanta; Biswas, Apurba; Gómez-García, Carlos J; Drew, Michael G. B.; Ghosh, Ashutosh","Isolation of two different Ni2Zn complexes with an unprecedented cocrystal formed by one of them and a ""coordination positional isomer"" of the other.","Inorganic chemistry","2014","53","1","434","445","10.1021/ic402415b","","","0.71073","MoKα","","0.1204","0.0596","","","0.1572","0.1832","","","","","","1.035","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337597","12.9551","0.0008","16.0835","0.001","17.5047","0.0011","89.28","0.003","88.725","0.003","73.44","0.003","3495.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H78 Mn4 N10 Na O30 Pr -","- C54 H78 Mn4 N10 Na O30 Pr -","- C108 H156 Mn8 N20 Na2 O60 Pr2 -","2","1","","Azar, Michael R.; Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Zegalia, Kelcie A.; Nimthong, Ruthairat; Ferrence, Gregory M.; Zeller, Matthias; Kampf, Jeff W.; Pecoraro, Vincent L.; Zaleski, Curtis M.","Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.","Inorganic chemistry","2014","53","3","1729","1742","10.1021/ic402865p","","","0.71073","MoKα","","0.0569","0.0446","","","0.1169","0.1305","","","","","","1.065","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337598","12.999","0.003","16.108","0.003","17.471","0.003","89.377","0.003","88.793","0.003","73.224","0.003","3501.7","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H78 Mn4 N10 Na Nd O30 -","- C54 H78 Mn4 N10 Na Nd O30 -","- C108 H156 Mn8 N20 Na2 Nd2 O60 -","2","1","","Azar, Michael R.; Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Zegalia, Kelcie A.; Nimthong, Ruthairat; Ferrence, Gregory M.; Zeller, Matthias; Kampf, Jeff W.; Pecoraro, Vincent L.; Zaleski, Curtis M.","Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.","Inorganic chemistry","2014","53","3","1729","1742","10.1021/ic402865p","","","0.71073","MoKα","","0.0503","0.0365","","","0.0758","0.0815","","","","","","1.022","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337599","12.9948","0.0014","16.095","0.0017","17.4377","0.0019","89.3383","0.0016","88.8405","0.0016","73.2931","0.0015","3492.4","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H78 Mn4 N10 Na O30 Sm -","- C54 H78 Mn4 N10 Na O30 Sm -","- C108 H156 Mn8 N20 Na2 O60 Sm2 -","2","1","","Azar, Michael R.; Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Zegalia, Kelcie A.; Nimthong, Ruthairat; Ferrence, Gregory M.; Zeller, Matthias; Kampf, Jeff W.; Pecoraro, Vincent L.; Zaleski, Curtis M.","Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.","Inorganic chemistry","2014","53","3","1729","1742","10.1021/ic402865p","","","0.71073","MoKα","","0.0293","0.025","","","0.0615","0.0642","","","","","","1.046","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4337600","12.9959","0.0012","16.0915","0.0015","17.4147","0.0016","89.3524","0.0014","88.8596","0.0014","73.2486","0.0013","3486.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H78 Eu Mn4 N10 Na O30 -","- C54 H78 Eu Mn4 N10 Na O30 -","- C108 H156 Eu2 Mn8 N20 Na2 O60 -","2","1","","Azar, Michael R.; Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Zegalia, Kelcie A.; Nimthong, Ruthairat; Ferrence, Gregory M.; Zeller, Matthias; Kampf, Jeff W.; Pecoraro, Vincent L.; Zaleski, Curtis M.","Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.","Inorganic chemistry","2014","53","3","1729","1742","10.1021/ic402865p","","","0.71073","MoKα","","0.0279","0.0243","","","0.0597","0.0626","","","","","","1.054","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4337601","13.016","0.003","16.117","0.003","17.435","0.003","89.349","0.003","88.876","0.003","73.158","0.003","3499.9","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H78 Gd Mn4 N10 Na O30 -","- C54 H78 Gd Mn4 N10 Na O30 -","- C108 H156 Gd2 Mn8 N20 Na2 O60 -","2","1","","Azar, Michael R.; Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Zegalia, Kelcie A.; Nimthong, Ruthairat; Ferrence, Gregory M.; Zeller, Matthias; Kampf, Jeff W.; Pecoraro, Vincent L.; Zaleski, Curtis M.","Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.","Inorganic chemistry","2014","53","3","1729","1742","10.1021/ic402865p","","","0.71073","MoKα","","0.0424","0.033","","","0.0736","0.0782","","","","","","1.033","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4337602","12.9813","0.0004","16.0778","0.0005","17.3885","0.0005","89.369","0.001","88.871","0.002","73.257","0.001","3474.59","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H78 Mn4 N10 Na O30 Tb -","- C54 H78 Mn4 N10 Na O30 Tb -","- C108 H156 Mn8 N20 Na2 O60 Tb2 -","2","1","","Azar, Michael R.; Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Zegalia, Kelcie A.; Nimthong, Ruthairat; Ferrence, Gregory M.; Zeller, Matthias; Kampf, Jeff W.; Pecoraro, Vincent L.; Zaleski, Curtis M.","Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.","Inorganic chemistry","2014","53","3","1729","1742","10.1021/ic402865p","","","0.71073","MoKα","","0.0288","0.0237","","","0.0568","0.0604","","","","","","1.111","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337603","12.9657","0.0013","16.0684","0.0016","17.4114","0.0016","89.412","0.005","88.862","0.005","73.308","0.005","3473.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H78 Dy Mn4 N10 Na O30 -","- C54 H78 Dy Mn4 N10 Na O30 -","- C108 H156 Dy2 Mn8 N20 Na2 O60 -","2","1","","Azar, Michael R.; Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Zegalia, Kelcie A.; Nimthong, Ruthairat; Ferrence, Gregory M.; Zeller, Matthias; Kampf, Jeff W.; Pecoraro, Vincent L.; Zaleski, Curtis M.","Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.","Inorganic chemistry","2014","53","3","1729","1742","10.1021/ic402865p","","","0.71073","MoKα","","0.0331","0.0243","","","0.0502","0.0544","","","","","","1.085","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337604","12.9749","0.0009","16.076","0.0011","17.3795","0.0012","89.404","0.004","88.872","0.004","73.32","0.004","3471.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H78 Ho Mn4 N10 Na O30 -","- C54 H78 Ho Mn4 N10 Na O30 -","- C108 H156 Ho2 Mn8 N20 Na2 O60 -","2","1","","Azar, Michael R.; Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Zegalia, Kelcie A.; Nimthong, Ruthairat; Ferrence, Gregory M.; Zeller, Matthias; Kampf, Jeff W.; Pecoraro, Vincent L.; Zaleski, Curtis M.","Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.","Inorganic chemistry","2014","53","3","1729","1742","10.1021/ic402865p","","","0.71073","MoKα","","0.0278","0.0225","","","0.0494","0.0519","","","","","","1.043","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337605","12.9903","0.0014","16.0769","0.0017","17.363","0.0018","89.395","0.002","88.89","0.002","73.224","0.002","3471.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H78 Er Mn4 N10 Na O30 -","- C54 H78 Er Mn4 N10 Na O30 -","- C108 H156 Er2 Mn8 N20 Na2 O60 -","2","1","","Azar, Michael R.; Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Zegalia, Kelcie A.; Nimthong, Ruthairat; Ferrence, Gregory M.; Zeller, Matthias; Kampf, Jeff W.; Pecoraro, Vincent L.; Zaleski, Curtis M.","Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.","Inorganic chemistry","2014","53","3","1729","1742","10.1021/ic402865p","","","0.71073","MoKα","","0.0361","0.0295","","","0.0647","0.0678","","","","","","1.023","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4337606","12.98","0.003","16.066","0.004","17.333","0.004","89.392","0.003","88.886","0.003","73.237","0.003","3460.3","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H78 Mn4 N10 Na O30 Tm -","- C54 H78 Mn4 N10 Na O30 Tm -","- C108 H156 Mn8 N20 Na2 O60 Tm2 -","2","1","","Azar, Michael R.; Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Zegalia, Kelcie A.; Nimthong, Ruthairat; Ferrence, Gregory M.; Zeller, Matthias; Kampf, Jeff W.; Pecoraro, Vincent L.; Zaleski, Curtis M.","Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.","Inorganic chemistry","2014","53","3","1729","1742","10.1021/ic402865p","","","0.71073","MoKα","","0.0486","0.035","","","0.0686","0.0737","","","","","","1.026","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4337607","12.9978","0.0011","16.0779","0.0013","17.3428","0.0014","89.4135","0.0012","88.8742","0.0012","73.2204","0.0012","3469.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H78 Mn4 N10 Na O30 Yb -","- C54 H78 Mn4 N10 Na O30 Yb -","- C108 H156 Mn8 N20 Na2 O60 Yb2 -","2","1","","Azar, Michael R.; Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Zegalia, Kelcie A.; Nimthong, Ruthairat; Ferrence, Gregory M.; Zeller, Matthias; Kampf, Jeff W.; Pecoraro, Vincent L.; Zaleski, Curtis M.","Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.","Inorganic chemistry","2014","53","3","1729","1742","10.1021/ic402865p","","","0.71073","MoKα","","0.0329","0.0271","","","0.0633","0.066","","","","","","1.035","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4337608","12.9998","0.001","16.084","0.0012","17.3773","0.0013","89.415","0.001","88.892","0.001","73.189","0.001","3477.4","0.5","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C54 H78 Mn4 N10 Na O30 Y -","- C54 H78 Mn4 N10 Na O30 Y -","- C108 H156 Mn8 N20 Na2 O60 Y2 -","2","2","","Azar, Michael R.; Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Zegalia, Kelcie A.; Nimthong, Ruthairat; Ferrence, Gregory M.; Zeller, Matthias; Kampf, Jeff W.; Pecoraro, Vincent L.; Zaleski, Curtis M.","Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.","Inorganic chemistry","2014","53","3","1729","1742","10.1021/ic402865p","","","0.71073","MoKα","","0.0532","0.0402","","","0.0928","0.0996","","","","","","1.039","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337609","14.8397","0.0014","17.1527","0.0016","14.7756","0.0014","90","","111.468","0.001","90","","3500.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H81.2 Mn4 N12 Na2 O25.6 -","- C56 H81.2 Mn4 N12 Na2 O25.6 -","- C112 H162.4 Mn8 N24 Na4 O51.2 -","2","0.5","","Azar, Michael R.; Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Zegalia, Kelcie A.; Nimthong, Ruthairat; Ferrence, Gregory M.; Zeller, Matthias; Kampf, Jeff W.; Pecoraro, Vincent L.; Zaleski, Curtis M.","Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.","Inorganic chemistry","2014","53","3","1729","1742","10.1021/ic402865p","","","0.71073","MoKα","","0.0353","0.029","","","0.0758","0.0815","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337610","16.1208","0.0013","16.3127","0.0013","23.4413","0.0018","90","","95.346","0.001","90","","6137.6","0.8","85","2","85","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H63 Dy K Mn4 N9 O25 -","- C51 H63 Dy K Mn4 N9 O25 -","- C204 H252 Dy4 K4 Mn16 N36 O100 -","4","0.5","","Azar, Michael R.; Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Zegalia, Kelcie A.; Nimthong, Ruthairat; Ferrence, Gregory M.; Zeller, Matthias; Kampf, Jeff W.; Pecoraro, Vincent L.; Zaleski, Curtis M.","Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.","Inorganic chemistry","2014","53","3","1729","1742","10.1021/ic402865p","","","0.71073","MoKα","","0.0373","0.0328","","","0.0854","0.0882","","","","","","1.096","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337611","10.314","0.004","13.464","0.006","14.79","0.006","99.551","0.006","110.28","0.005","100.085","0.006","1838.8","1.3","163","2","163","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H66 Cl2 F2 Mn4 N8 O22 P2 -","- C76 H66 Cl2 F2 Mn4 N8 O22 P2 -","- C76 H66 Cl2 F2 Mn4 N8 O22 P2 -","1","0.5","","Wang, Ting-Ting; Ren, Min; Bao, Song-Song; Liu, Bin; Pi, Li; Cai, Zhong-Sheng; Zheng, Ze-Hua; Xu, Zhong-Li; Zheng, Li-Min","Effect of structural isomerism on magnetic dynamics: from single-molecule magnet to single-chain magnet.","Inorganic chemistry","2014","53","6","3117","3125","10.1021/ic403042p","","","0.71073","MoKα","","0.1754","0.0666","","","0.1068","0.132","","","","","","0.85","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337612","10.8532","0.0015","13.2141","0.0018","14.515","0.002","69.045","0.002","79.784","0.002","88.2","0.002","1912","0.5","163","2","163","2","","","","","","","","8","P -1","-P 1","2","","","","- C77 H70 Cl2 F2 Mn4 N8 O23 P2 -","- C77 H70 Cl2 F2 Mn4 N8 O23 P2 -","- C77 H70 Cl2 F2 Mn4 N8 O23 P2 -","1","0.5","","Wang, Ting-Ting; Ren, Min; Bao, Song-Song; Liu, Bin; Pi, Li; Cai, Zhong-Sheng; Zheng, Ze-Hua; Xu, Zhong-Li; Zheng, Li-Min","Effect of structural isomerism on magnetic dynamics: from single-molecule magnet to single-chain magnet.","Inorganic chemistry","2014","53","6","3117","3125","10.1021/ic403042p","","","0.71073","MoKα","","0.0572","0.0451","","","0.1249","0.1351","","","","","","1.115","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337613","16.7339","0.0018","24.44","0.003","28.002","0.003","90","","112.758","0.005","90","","10561","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H102 Cl6 N13 Ni5 O18 -","- C108.44 H94 Cl5.59 N13 Ni5 O18 -","- C433.76 H376 Cl22.36 N52 Ni20 O72 -","4","1","","Esteban, Jordi; Font-Bardia, Mercè; Costa, José Sánchez; Teat, Simon J.; Escuer, Albert","New topologies in pentanuclear nickel/oximato clusters: structural and magnetic characterization.","Inorganic chemistry","2014","53","6","3194","3203","10.1021/ic500057j","","","0.7749","synchrotron","","0.1081","0.0725","","","0.194","0.2217","","","","","","1.031","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337614","15.6739","0.0018","14.7668","0.0017","18.47","0.002","90","","108.501","0.002","90","","4054","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H42 Cl6 N24 Ni5 O11 -","- C58 H38 Cl6 N24 Ni5 O11 -","- C116 H76 Cl12 N48 Ni10 O22 -","2","0.5","","Esteban, Jordi; Font-Bardia, Mercè; Costa, José Sánchez; Teat, Simon J.; Escuer, Albert","New topologies in pentanuclear nickel/oximato clusters: structural and magnetic characterization.","Inorganic chemistry","2014","53","6","3194","3203","10.1021/ic500057j","","","0.71073","MoKα","","0.0546","0.0335","","","0.0914","0.1012","","","","","","1.043","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337615","15.21","0.007","15.21","0.007","40.38","0.02","90","","90","","120","","8090","7","105","2","105","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C65 H104 Br6 N18 Ni10 O30 -","- C65 H95.94 Br6 N18 Ni10 O30 -","- C195 H287.82 Br18 N54 Ni30 O90 -","3","0.166667","","Esteban, Jordi; Font-Bardia, Mercè; Costa, José Sánchez; Teat, Simon J.; Escuer, Albert","New topologies in pentanuclear nickel/oximato clusters: structural and magnetic characterization.","Inorganic chemistry","2014","53","6","3194","3203","10.1021/ic500057j","","","0.71073","MoKα","","0.0648","0.0517","","","0.1441","0.1534","","","","","","1.109","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337616","32.3601","0.0017","23.1876","0.0012","23.2403","0.0013","90","","101.395","0.003","90","","17094.7","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C217 H208 N100 Ni20 O62 S8 -","- C217 H152 N100 Ni20 O61 S8 -","- C434 H304 N200 Ni40 O122 S16 -","2","0.25","","Esteban, Jordi; Font-Bardia, Mercè; Costa, José Sánchez; Teat, Simon J.; Escuer, Albert","New topologies in pentanuclear nickel/oximato clusters: structural and magnetic characterization.","Inorganic chemistry","2014","53","6","3194","3203","10.1021/ic500057j","","","0.71073","MoKα","","0.1002","0.0521","","","0.1787","0.2148","","","","","","1.063","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337617","34.0083","0.0004","34.0083","0.0004","12.0595","0.0002","90","","90","","90","","13947.6","0.3","100","0.1","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C191 H216 N74 Ni20 O74 -","- C191 H142 N74 Ni20 O74 -","- C382 H284 N148 Ni40 O148 -","2","0.25","","Esteban, Jordi; Font-Bardia, Mercè; Costa, José Sánchez; Teat, Simon J.; Escuer, Albert","New topologies in pentanuclear nickel/oximato clusters: structural and magnetic characterization.","Inorganic chemistry","2014","53","6","3194","3203","10.1021/ic500057j","","","1.54178","CuKα","","0.071","0.0684","","","0.2147","0.219","","","","","","1.142","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337618","10.112","0.011","13.012","0.014","17.237","0.018","81.01","0.04","73.85","0.03","86.53","0.04","2151","4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H78 Br4 Cl2 Cu2 N6 O8 P4 -","- C86 H78 Br4 Cl2 Cu2 N6 O8 P4 -","- C86 H78 Br4 Cl2 Cu2 N6 O8 P4 -","1","0.5","","Xin, Xue-Lian; Chen, Min; Ai, Yu-Bo; Yang, Feng-Lei; Li, Xiu-Ling; Li, Fuyou","Aggregation-induced emissive copper(i) complexes for living cell imaging.","Inorganic chemistry","2014","53","6","2922","2931","10.1021/ic402685u","","","0.71073","MoKα","","0.2256","0.0631","","","0.1183","0.1858","","","","","","0.958","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337619","15.2947","0.0003","18.9245","0.0004","21.5573","0.0004","90","","133.5","0.001","90","","4526.08","0.17","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H76 Br4 Cl10 Cu2 N4 O8 P4 -","- C84 H76 Br4 Cl10 Cu2 N4 O8 P4 -","- C168 H152 Br8 Cl20 Cu4 N8 O16 P8 -","2","0.5","","Xin, Xue-Lian; Chen, Min; Ai, Yu-Bo; Yang, Feng-Lei; Li, Xiu-Ling; Li, Fuyou","Aggregation-induced emissive copper(i) complexes for living cell imaging.","Inorganic chemistry","2014","53","6","2922","2931","10.1021/ic402685u","","","0.71073","MoKα","","0.0798","0.0436","","","0.0917","0.1088","","","","","","1.016","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337620","15.7167","0.0006","16.1174","0.0006","19.3925","0.0007","94.696","0.001","92.254","0.001","90.699","0.001","4891.5","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H84 Br4 Cl10 Cu2 N4 O8 P4 -","- C88 H84 Br4 Cl10 Cu2 N4 O8 P4 -","- C176 H168 Br8 Cl20 Cu4 N8 O16 P8 -","2","1","","Xin, Xue-Lian; Chen, Min; Ai, Yu-Bo; Yang, Feng-Lei; Li, Xiu-Ling; Li, Fuyou","Aggregation-induced emissive copper(i) complexes for living cell imaging.","Inorganic chemistry","2014","53","6","2922","2931","10.1021/ic402685u","","","0.71073","MoKα","","0.119","0.0652","","","0.1577","0.1923","","","","","","1.008","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337621","23.5057","0.0016","13.567","0.001","24.8584","0.0017","90","","90","","90","","7927.4","1","296","2","296","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C76 H60 Br4 Cl6 Cu2 N4 O8 P4 -","- C76 H60 Br4 Cl6 Cu2 N4 O8 P4 -","- C304 H240 Br16 Cl24 Cu8 N16 O32 P16 -","4","1","","Xin, Xue-Lian; Chen, Min; Ai, Yu-Bo; Yang, Feng-Lei; Li, Xiu-Ling; Li, Fuyou","Aggregation-induced emissive copper(i) complexes for living cell imaging.","Inorganic chemistry","2014","53","6","2922","2931","10.1021/ic402685u","","","0.71073","MoKα","","0.1034","0.0536","","","0.1095","0.1362","","","","","","1.038","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337622","7.888","0.0014","11.156","0.002","6.92","0.002","90","","108.066","0.002","90","","578.9","0.2","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C H5 Cl2 Fe N O2 -","- C H5 Cl2 Fe N O2 -","- C4 H20 Cl8 Fe4 N4 O8 -","4","0.5","","Greenfield, Joshua T.; Kamali, Saeed; Izquierdo, Nezhueyotl; Chen, Michael; Kovnir, Kirill","NH4FeCl2(HCOO): Synthesis, Structure, and Magnetism of a Novel Low-Dimensional Magnetic Material.","Inorganic chemistry","2014","53","6","3162","3169","10.1021/ic403173v","","","0.71073","MoKα","","0.0169","0.0153","","","0.039","0.0402","","","","","","1.086","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337623","9.8817","0.0003","14.9229","0.0004","34.1873","0.0009","87.422","0.001","87.813","0.001","71.724","0.002","4780.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Complex-La","","","- C38 H40 Cl6 La N7 O10.5 -","- C38 H38 Cl6 La N7 O10.5 -","- C152 H152 Cl24 La4 N28 O42 -","4","2","","Muxel, Alfredo A.; Neves, Ademir; Camargo, Maryene A.; Bortoluzzi, Adailton J.; Szpoganicz, Bruno; Castellano, Eduardo E.; Castilho, Nathalia; Bortolotto, Tiago; Terenzi, Hernán","New La(III) Complex Immobilized on 3-Aminopropyl-Functionalized Silica as an Efficient and Reusable Catalyst for Hydrolysis of Phosphate Ester Bonds.","Inorganic chemistry","2014","53","6","2943","2952","10.1021/ic402705r","","","0.71073","MoKα","","0.0671","0.0512","","","0.1393","0.149","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337624","16.8951","0.0002","16.8951","0.0002","103.8149","0.0015","90","","90","","120","","25663.3","0.6","100","","100","","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C127 H192 Fe6 O59 P6 Tb6 -","- C127 H192 Fe6 O59 P6 Tb6 -","- C762 H1152 Fe36 O354 P36 Tb36 -","6","","","Pineda, Eufemio Moreno; Tuna, Floriana; Zheng, Yan-Zhen; Teat, Simon J.; Winpenny, Richard E. P.; Schnack, Jürgen; McInnes, Eric J. L.","Iron Lanthanide Phosphonate Clusters: {Fe6Ln6P6} Wells-Dawson-like Structures with D3d Symmetry.","Inorganic chemistry","2014","53","6","3032","3038","10.1021/ic402839q","","","0.7107","MoKα","","0.1031","0.095","","","0.1972","0.2011","","","","","","1.232","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337625","34.247","0.0004","34.247","0.0004","103.0464","0.0012","90","","90","","120","","104667","2","100","2","100","","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C127 H240 Fe6 Gd6 O59 P6 -","- C127 H240 Fe6 Gd6 O59 P6 -","- C3048 H5760 Fe144 Gd144 O1416 P144 -","24","","","Pineda, Eufemio Moreno; Tuna, Floriana; Zheng, Yan-Zhen; Teat, Simon J.; Winpenny, Richard E. P.; Schnack, Jürgen; McInnes, Eric J. L.","Iron Lanthanide Phosphonate Clusters: {Fe6Ln6P6} Wells-Dawson-like Structures with D3d Symmetry.","Inorganic chemistry","2014","53","6","3032","3038","10.1021/ic402839q","","","0.6889","synchrotron","","0.1296","0.0993","","","0.2927","0.3327","","","","","","1.066","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337626","16.8883","0.0003","16.8883","0.0003","103.953","0.002","90","","90","","120","","25676.7","0.8","100","","100","","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C127 H192 Fe6 Gd6 O59 P6 -","- C127 H192 Fe6 Gd6 O59 P6 -","- C762 H1152 Fe36 Gd36 O354 P36 -","6","","","Pineda, Eufemio Moreno; Tuna, Floriana; Zheng, Yan-Zhen; Teat, Simon J.; Winpenny, Richard E. P.; Schnack, Jürgen; McInnes, Eric J. L.","Iron Lanthanide Phosphonate Clusters: {Fe6Ln6P6} Wells-Dawson-like Structures with D3d Symmetry.","Inorganic chemistry","2014","53","6","3032","3038","10.1021/ic402839q","","","0.7107","MoKα","","0.075","0.0717","","","0.1433","0.1449","","","","","","1.257","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337627","15.59","0.003","15.565","0.003","31.774","0.006","90","","109.13","0.03","90","","7284","3","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H180 Fe6 Gd6 O60 P6 -","- C96 H180 Fe6 Gd6 O60 P6 -","- C192 H360 Fe12 Gd12 O120 P12 -","2","0.5","","Pineda, Eufemio Moreno; Tuna, Floriana; Zheng, Yan-Zhen; Teat, Simon J.; Winpenny, Richard E. P.; Schnack, Jürgen; McInnes, Eric J. L.","Iron Lanthanide Phosphonate Clusters: {Fe6Ln6P6} Wells-Dawson-like Structures with D3d Symmetry.","Inorganic chemistry","2014","53","6","3032","3038","10.1021/ic402839q","","","0.71073","MoKα","","0.1122","0.0937","","","0.274","0.2924","","","","","","1.097","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337628","10.6396","0.0007","15.9476","0.001","11.943","0.0008","90","","101.216","0.004","90","","1987.7","0.2","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O5 S2 -","- C19 H20 N4 O5 S2 -","- C76 H80 N16 O20 S8 -","4","1","","Sundberg, Jonas; Witt, Hannes; Cameron, Lisa; Håkansson, Mikael; Bendix, Jesper; McKenzie, Christine J.","A versatile dinucleating ligand containing sulfonamide groups.","Inorganic chemistry","2014","53","6","2873","2882","10.1021/ic402599e","","","0.71073","MoKα","","0.0493","0.0357","","","0.0886","0.0957","","","","","","1.079","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337629","9.0921","0.0006","16.4521","0.001","14.1333","0.0009","90","","108.384","0.003","90","","2006.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cu4 N8 O12 S4 -","- C38 H36 Cu4 N8 O12 S4 -","- C76 H72 Cu8 N16 O24 S8 -","2","0.5","","Sundberg, Jonas; Witt, Hannes; Cameron, Lisa; Håkansson, Mikael; Bendix, Jesper; McKenzie, Christine J.","A versatile dinucleating ligand containing sulfonamide groups.","Inorganic chemistry","2014","53","6","2873","2882","10.1021/ic402599e","","x-ray","0.71073","MoKα","","0.0256","0.0224","","","0.0714","0.0741","","","","","","1.021","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337630","9.158","0.005","19.566","0.005","23.902","0.005","77.309","0.005","82.883","0.005","89.968","0.005","4144","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Cl5 Cu2 N5 O9 S2 -","- C32 H44 Cl5 Cu2 N5 O9 S2 -","- C128 H176 Cl20 Cu8 N20 O36 S8 -","4","2","","Sundberg, Jonas; Witt, Hannes; Cameron, Lisa; Håkansson, Mikael; Bendix, Jesper; McKenzie, Christine J.","A versatile dinucleating ligand containing sulfonamide groups.","Inorganic chemistry","2014","53","6","2873","2882","10.1021/ic402599e","","x-ray","0.7107","MoKα","","0.0726","0.0621","","","0.1622","0.1701","","","","","","1.049","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337631","10.1207","0.001","21.195","0.002","21.764","0.003","90","","95.101","0.006","90","","4650.1","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Ga N8 O11 S4 -","- C38 H38 Ga N8 O11 S4 -","- C152 H152 Ga4 N32 O44 S16 -","4","1","","Sundberg, Jonas; Witt, Hannes; Cameron, Lisa; Håkansson, Mikael; Bendix, Jesper; McKenzie, Christine J.","A versatile dinucleating ligand containing sulfonamide groups.","Inorganic chemistry","2014","53","6","2873","2882","10.1021/ic402599e","","x-ray","0.71073","MoKα","","0.1423","0.072","","","0.1916","0.2135","","","","","","1","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337632","10.0243","0.0005","21.3352","0.0009","21.2266","0.001","90","","94.546","0.002","90","","4525.5","0.4","150","0.2","150","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Fe N8 O13.22 S4 -","- C38 H38 Fe N8 O13.213 S4 -","- C152 H152 Fe4 N32 O52.852 S16 -","4","1","","Sundberg, Jonas; Witt, Hannes; Cameron, Lisa; Håkansson, Mikael; Bendix, Jesper; McKenzie, Christine J.","A versatile dinucleating ligand containing sulfonamide groups.","Inorganic chemistry","2014","53","6","2873","2882","10.1021/ic402599e","","","0.71073","MoKα","","0.066","0.0398","","","0.1114","0.1391","","","","","","1.142","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337633","25.662","0.004","9.2714","0.0014","20.309","0.003","90","","97.787","0.006","90","","4787.4","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H38 Cu3 N8 O12 S4 -","- C38 H34 Cu3 N8 O12 S4 -","- C152 H136 Cu12 N32 O48 S16 -","4","0.5","","Sundberg, Jonas; Witt, Hannes; Cameron, Lisa; Håkansson, Mikael; Bendix, Jesper; McKenzie, Christine J.","A versatile dinucleating ligand containing sulfonamide groups.","Inorganic chemistry","2014","53","6","2873","2882","10.1021/ic402599e","","","0.71073","MoKα","","0.0499","0.0445","","","0.1359","0.1395","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337634","10.772","0.005","21.674","0.005","10.81","0.005","90","","118.602","0.005","90","","2215.8","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Ce O4 -","- C16 H36 Ce O4 -","- C64 H144 Ce4 O16 -","4","1","","Schläfer, Johannes; Tyrra, Wieland; Mathur, Sanjay","Octakis(tert-butoxo)dicerium(IV) [Ce2(O(t)Bu)8]: Synthesis, Characterization, Decomposition, and Reactivity.","Inorganic chemistry","2014","53","6","2751","2753","10.1021/ic4025876","","","0.71073","MoKα","","0.0958","0.0376","","","0.0738","0.083","","","","","","0.802","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337635","21.444","0.005","24.029","0.005","23.796","0.005","90","0.005","100.675","0.005","90","0.005","12049","5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H99 Ce3 O11 -","- C44 H99 Ce3 O11 -","- C352 H792 Ce24 O88 -","8","2","","Schläfer, Johannes; Tyrra, Wieland; Mathur, Sanjay","Octakis(tert-butoxo)dicerium(IV) [Ce2(O(t)Bu)8]: Synthesis, Characterization, Decomposition, and Reactivity.","Inorganic chemistry","2014","53","6","2751","2753","10.1021/ic4025876","","","0.71073","MoKα","","0.103","0.0523","","","0.1387","0.1675","","","","","","0.917","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337636","13.983","0.005","20.167","0.005","17.063","0.005","90","","90","","90","","4812","3","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C36 H81 Ce2 O9 -","- C36 H83 Ce2 O9 -","- C144 H332 Ce8 O36 -","4","0.5","","Schläfer, Johannes; Tyrra, Wieland; Mathur, Sanjay","Octakis(tert-butoxo)dicerium(IV) [Ce2(O(t)Bu)8]: Synthesis, Characterization, Decomposition, and Reactivity.","Inorganic chemistry","2014","53","6","2751","2753","10.1021/ic4025876","","","0.71073","MoKα","","0.0612","0.0405","","","0.1001","0.1108","","","","","","1.014","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337637","12.2206","0.0003","24.6808","0.0004","17.2941","0.0004","90","","101.127","0.002","90","","5118.09","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H82 Ce2 O9 -","- C45 H82 Ce2 O9 -","- C180 H328 Ce8 O36 -","4","1","","Schläfer, Johannes; Tyrra, Wieland; Mathur, Sanjay","Octakis(tert-butoxo)dicerium(IV) [Ce2(O(t)Bu)8]: Synthesis, Characterization, Decomposition, and Reactivity.","Inorganic chemistry","2014","53","6","2751","2753","10.1021/ic4025876","","","0.71073","MoKα","","0.0378","0.0317","","","0.0788","0.0883","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337638","27.236","0.003","27.236","0.003","27.236","0.003","90","","90","","90","","20204","4","173","2","173","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C162 H218 Co4 N6 Na4 O52 S12 -","- C159 H198 Co4 N6 Na4.02 O52 S12 -","- C636 H792 Co16 N24 Na16.08 O208 S48 -","4","0.0833333","","Kim, Ka Young; Park, Sunhong; Jung, Sung Ho; Lee, Shim Sung; Park, Ki-Min; Shinkai, Seiji; Jung, Jong Hwa","Geometric Change of a Thiacalix[4]arene Supramolecular Gel with Volatile Gases and Its Chromogenic Detection for Rapid Analysis.","Inorganic chemistry","2014","53","6","3004","3011","10.1021/ic402804p","","","0.71073","MoKα","","0.1478","0.0918","","","0.2444","0.3012","","","","","","1.022","","","","has coordinates,has disorder","194001","2020-10-21","18:00:00",""
"4337639","27.2658","0.0003","27.2658","0.0003","27.2658","0.0003","90","","90","","90","","20270","0.4","173","2","173","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C153 H207 Co4 K4 N3 O54 S12 -","- C151.5 H177 Co4 K4.02 N3 O53.32 S12 -","- C606 H708 Co16 K16.08 N12 O213.28 S48 -","4","0.0833333","","Kim, Ka Young; Park, Sunhong; Jung, Sung Ho; Lee, Shim Sung; Park, Ki-Min; Shinkai, Seiji; Jung, Jong Hwa","Geometric Change of a Thiacalix[4]arene Supramolecular Gel with Volatile Gases and Its Chromogenic Detection for Rapid Analysis.","Inorganic chemistry","2014","53","6","3004","3011","10.1021/ic402804p","","","0.71073","MoKα","","0.0881","0.0726","","","0.1982","0.2259","","","","","","1.112","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337640","12.4539","0.0008","21.4481","0.0013","22.3028","0.0014","90","","104.972","0.0007","90","","5755.1","0.6","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H92 K N6 O2 Si8 Tb2 -","- C35.5 H88 K N6 O2 Si8 Tb2 -","- C142 H352 K4 N24 O8 Si32 Tb8 -","4","1","","Meihaus, Katie R.; Corbey, Jordan F.; Fang, Ming; Ziller, Joseph W.; Long, Jeffrey R.; Evans, William J.","Influence of an inner-sphere k(+) ion on the magnetic behavior of n2(3-) radical-bridged dilanthanide complexes isolated using an external magnetic field.","Inorganic chemistry","2014","53","6","3099","3107","10.1021/ic4030102","","","0.71073","MoKα","","0.0363","0.0252","","","0.0549","0.0585","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337641","11.871","0.0005","9.903","0.0004","17.4651","0.0007","90","","106.292","0.001","90","","1970.73","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Mg N2 O10 -","- C20 H20 Mg N2 O10 -","- C80 H80 Mg4 N8 O40 -","4","0.5","","Schwartz, Sarina C.; Pinto-Pacheco, Brismar; Pitteloud, Jean-Philippe; Buccella, Daniela","Formation of Ternary Complexes with MgATP: Effects on the Detection of Mg(2+) in Biological Samples by Bidentate Fluorescent Sensors.","Inorganic chemistry","2014","53","6","3204","3209","10.1021/ic5000606","","","0.71073","MoKα","","0.0328","0.0288","","","0.0807","0.0837","","","","","","1.103","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337642","21.913","0.004","9.224","0.002","12.878","0.002","90","","99.17","0.05","90","","2569.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 Cu N5 O9 S -","- C23 H35 Cu N5 O9 S -","- C92 H140 Cu4 N20 O36 S4 -","4","1","","Takács, Anett; Napolitano, Roberta; Purgel, Mihály; Bényei, Attila Csaba; Zékány, László; Brücher, Ernő; Tóth, Imre; Baranyai, Zsolt; Aime, Silvio","Solution Structures, Stabilities, Kinetics, and Dynamics of DO3A and DO3A-Sulphonamide Complexes.","Inorganic chemistry","2014","53","6","2858","2872","10.1021/ic4025958","","","0.71073","MoKα","","0.1043","0.0627","","","","0.1667","","","","","","1.019","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337643","8.487","0.005","20.06","0.005","15.743","0.005","90","0.005","101.278","0.005","90","0.005","2628.5","1.9","89","2","89","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 Br F6 N5 O3 P Re -","- C26 H14 Br F6 N5 O3 P Re -","- C104 H56 Br4 F24 N20 O12 P4 Re4 -","4","1","","van der Salm, Holly; Fraser, Michael G.; Horvath, Raphael; Cameron, Scott A.; Barnsley, Jonathan E.; Sun, Xue-Zhong; George, Michael W.; Gordon, Keith C.","Re(I) Complexes of Substituted dppz: A Computational and Spectroscopic Study.","Inorganic chemistry","2014","53","6","3126","3140","10.1021/ic403056g","","","0.71069","MoKα","","0.0607","0.0501","","","0.1088","0.113","","","","","","1.158","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337644","13.193","0.005","14.854","0.005","14.913","0.005","94.93","0.005","106.802","0.005","100.213","0.005","2724","1.7","89","2","89","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H8 Br2 Cl N4 O3 Re -","- C21 H8 Br2 Cl N4 O3 Re -","- C84 H32 Br8 Cl4 N16 O12 Re4 -","4","2","","van der Salm, Holly; Fraser, Michael G.; Horvath, Raphael; Cameron, Scott A.; Barnsley, Jonathan E.; Sun, Xue-Zhong; George, Michael W.; Gordon, Keith C.","Re(I) Complexes of Substituted dppz: A Computational and Spectroscopic Study.","Inorganic chemistry","2014","53","6","3126","3140","10.1021/ic403056g","","","0.71069","MoKα","","0.0498","0.0375","","","0.0851","0.0897","","","","","","1.068","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337645","11.8044","0.0019","15.699","0.003","14.329","0.002","90","","94.249","0.002","90","","2648.1","0.8","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","1,8-AQ.3Aniline","","","- C28 H26 N4 O10 -","- C28 H26 N4 O10 -","- C112 H104 N16 O40 -","4","2","","Mariappan, Kadarkaraisamy; Alaparthi, Madhubabu; Caple, Gerald; Balasubramanian, Vinothini; Hoffman, Mariah M.; Hudspeth, Mikaela; Sykes, Andrew G.","Selective Fluorescence Sensing of Copper(II) and Water via Competing Imine Hydrolysis and Alcohol Oxidation Pathways Sensitive to Water Content in Aqueous Acetonitrile Mixtures.","Inorganic chemistry","2014","53","6","2953","2962","10.1021/ic402723c","","","0.71073","MoKα","","0.089","0.047","","","0.1148","0.1408","","","","","","1.023","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337646","7.5495","0.0019","11.068","0.003","17.357","0.006","105.748","0.004","100.04","0.004","96.371","0.003","1355.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","5a.CH2Cl2","","","- C29 H32 Cl2 N2 O6 -","- C29 H32 Cl2 N2 O6 -","- C58 H64 Cl4 N4 O12 -","2","1","","Mariappan, Kadarkaraisamy; Alaparthi, Madhubabu; Caple, Gerald; Balasubramanian, Vinothini; Hoffman, Mariah M.; Hudspeth, Mikaela; Sykes, Andrew G.","Selective Fluorescence Sensing of Copper(II) and Water via Competing Imine Hydrolysis and Alcohol Oxidation Pathways Sensitive to Water Content in Aqueous Acetonitrile Mixtures.","Inorganic chemistry","2014","53","6","2953","2962","10.1021/ic402723c","","","0.71073","MoKα","","0.1054","0.0711","","","0.1399","0.1553","","","","","","1.066","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337647","8.0308","0.0006","11.7948","0.0008","12.5327","0.0009","70.324","0.001","88.649","0.001","78.119","0.001","1092.51","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1.CuCl2","","","- C22 H22 Cl2 Cu O7 -","- C22 H22 Cl2 Cu O7 -","- C44 H44 Cl4 Cu2 O14 -","2","1","","Mariappan, Kadarkaraisamy; Alaparthi, Madhubabu; Caple, Gerald; Balasubramanian, Vinothini; Hoffman, Mariah M.; Hudspeth, Mikaela; Sykes, Andrew G.","Selective Fluorescence Sensing of Copper(II) and Water via Competing Imine Hydrolysis and Alcohol Oxidation Pathways Sensitive to Water Content in Aqueous Acetonitrile Mixtures.","Inorganic chemistry","2014","53","6","2953","2962","10.1021/ic402723c","","","0.71073","MoKα","","0.0571","0.0394","","","0.0889","0.0971","","","","","","1.042","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337648","15.2459","0.0019","14.8786","0.0018","15.983","0.002","90","","92.423","0.006","90","","3622.3","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H74 Ho4 N14 O36 -","- C58 H74 Ho4 N14 O36 -","- C116 H148 Ho8 N28 O72 -","2","0.5","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Pham, Linh; Bekiari, Vlasoula; Christou, George; Stamatatos, Theocharis C.","Tetranuclear Lanthanide(III) Complexes with a Zigzag Topology from the Use of Pyridine-2,6-dimethanol: Synthetic, Structural, Spectroscopic, Magnetic and Photoluminescence Studies.","Inorganic chemistry","2014","53","6","3220","3229","10.1021/ic5001045","","","0.71073","MoKα","","0.0523","0.049","","","0.0894","0.0904","","","","","","1.324","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337649","15.2655","0.0018","14.9732","0.0016","16.0103","0.0019","90","","92.407","0.006","90","","3656.3","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H74 N14 O36 Tb4 -","- C58 H74 N14 O36 Tb4 -","- C116 H148 N28 O72 Tb8 -","2","0.5","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Pham, Linh; Bekiari, Vlasoula; Christou, George; Stamatatos, Theocharis C.","Tetranuclear Lanthanide(III) Complexes with a Zigzag Topology from the Use of Pyridine-2,6-dimethanol: Synthetic, Structural, Spectroscopic, Magnetic and Photoluminescence Studies.","Inorganic chemistry","2014","53","6","3220","3229","10.1021/ic5001045","","","0.71073","MoKα","","0.0475","0.0422","","","0.0779","0.0797","","","","","","1.21","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337650","15.5716","0.0018","14.0309","0.0015","16.5856","0.0019","90","","95.035","0.006","90","","3609.7","0.7","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H74 Er4 N14 O36 -","- C58 H74 Er4 N14 O36 -","- C116 H148 Er8 N28 O72 -","2","1","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Pham, Linh; Bekiari, Vlasoula; Christou, George; Stamatatos, Theocharis C.","Tetranuclear Lanthanide(III) Complexes with a Zigzag Topology from the Use of Pyridine-2,6-dimethanol: Synthetic, Structural, Spectroscopic, Magnetic and Photoluminescence Studies.","Inorganic chemistry","2014","53","6","3220","3229","10.1021/ic5001045","","","0.71073","MoKα","","0.0761","0.0588","","","0.1277","0.1366","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337651","15.287","0.002","14.773","0.002","15.954","0.002","90","","93.095","0.007","90","","3597.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H74 N14 O36 Yb4 -","- C58 H72 N14 O36 Yb4 -","- C116 H144 N28 O72 Yb8 -","2","0.5","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luís; Pham, Linh; Bekiari, Vlasoula; Christou, George; Stamatatos, Theocharis C.","Tetranuclear Lanthanide(III) Complexes with a Zigzag Topology from the Use of Pyridine-2,6-dimethanol: Synthetic, Structural, Spectroscopic, Magnetic and Photoluminescence Studies.","Inorganic chemistry","2014","53","6","3220","3229","10.1021/ic5001045","","","0.71073","MoKα","","0.1322","0.103","","","0.1186","0.1219","","","","","","1.341","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337652","12.585","0.003","13.22","0.003","24.903","0.006","75.42","0.003","77.176","0.003","73.647","0.003","3796.3","1.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H106 Cu8 N16 O96 P2 W22 -","- C84 H74 Cu8 N16 O96 P2 W22 -","- C84 H74 Cu8 N16 O96 P2 W22 -","1","0.5","","Miao, Hao; Xu, Xiao; Ju, Wei-Wei; Wan, Hong-Xiang; Zhang, Yu; Zhu, Dun-Ru; Xu, Yan","A Novel Dumbbell-like Polyoxometalate Assembled of Copper(II)-Disubstituted Monovacant Keggin Polyoxoanions with a Tetranuclear Copper Cluster.","Inorganic chemistry","2014","53","6","2757","2759","10.1021/ic5000827","","","0.71073","MoKα","","0.0985","0.0534","","","0.1177","0.1309","","","","","","1.001","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337653","21.2976","0.0005","16.0636","0.0004","14.5906","0.0004","90","","108.472","0.001","90","","4734.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Cl N3 O11 Zr3 -","- C34 H34 Cl N3 O11 Zr3 -","- C136 H136 Cl4 N12 O44 Zr12 -","4","1","","Iden, Hassan; Bi, Wenhua; Morin, Jean-François; Fontaine, Frédéric-Georges","Zirconium(IV) Metallocavitands As Blue-Emitting Materials.","Inorganic chemistry","2014","53","6","2883","2891","10.1021/ic402602d","","","0.71073","MoKα","","0.0399","0.0317","","","0.0814","0.0846","","","","","","1.091","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337654","14.372","0.002","15.973","0.002","19.995","0.003","70.543","0.009","77.67","0.009","63.506","0.008","3862","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C79.18 H80 Cl N3 O11.8 Zr3 -","- C79.168 H80 Cl N3 O11.792 Zr3 -","- C158.336 H160 Cl2 N6 O23.584 Zr6 -","2","1","","Iden, Hassan; Bi, Wenhua; Morin, Jean-François; Fontaine, Frédéric-Georges","Zirconium(IV) Metallocavitands As Blue-Emitting Materials.","Inorganic chemistry","2014","53","6","2883","2891","10.1021/ic402602d","","","0.71073","MoKα","","0.0933","0.0499","","","0.1102","0.1223","","","","","","0.945","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337655","19.5237","0.0003","20.4786","0.0003","21.8854","0.0003","101.697","0.001","115.773","0.001","96.63","0.001","7507.6","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C313.8 H273 Cl4 N12 O48.6 Zr12 -","- C313.8 H273 Cl4 N12 O48.6 Zr12 -","- C313.8 H273 Cl4 N12 O48.6 Zr12 -","1","0.5","","Iden, Hassan; Bi, Wenhua; Morin, Jean-François; Fontaine, Frédéric-Georges","Zirconium(IV) Metallocavitands As Blue-Emitting Materials.","Inorganic chemistry","2014","53","6","2883","2891","10.1021/ic402602d","","","0.71073","MoKα","","0.0623","0.0446","","","0.1266","0.1353","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337656","12.0098","0.0007","10.3144","0.0006","12.226","0.0007","90","","90","","90","","1514.48","0.15","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H2 Ag O8 P2 U -","- C H2 Ag O8 P2 U -","- C8 H16 Ag8 O64 P16 U8 -","8","1","","Nelson, Anna-Gay D; Rak, Zsolt; Albrecht-Schmitt, Thomas E; Becker, Udo; Ewing, Rodney C.","Three new silver uranyl diphosphonates: structures and properties.","Inorganic chemistry","2014","53","6","2787","2796","10.1021/ic401897n","","","0.71073","MoKα","","0.0234","0.0225","","","0.0773","0.078","","","","","","1.272","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337657","9.23","0.0007","13.2842","0.001","11.1757","0.0009","90","","90","","90","","1370.29","0.18","193","2","193","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C H2 Ag2 F2 O12 P2 U2 -","- C H2 Ag2 F2 O12 P2 U2 -","- C4 H8 Ag8 F8 O48 P8 U8 -","4","0.5","","Nelson, Anna-Gay D; Rak, Zsolt; Albrecht-Schmitt, Thomas E; Becker, Udo; Ewing, Rodney C.","Three new silver uranyl diphosphonates: structures and properties.","Inorganic chemistry","2014","53","6","2787","2796","10.1021/ic401897n","","","0.71073","MoKα","","0.0237","0.0226","","","0.054","0.0544","","","","","","0.984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337658","7.9919","0.0004","12.5811","0.0006","8.1506","0.0004","90","","96.26","0.001","90","","814.63","0.07","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C H2 Ag2 O8 P2 U -","- C H2 Ag2 O8 P2 U -","- C4 H8 Ag8 O32 P8 U4 -","4","1","","Nelson, Anna-Gay D; Rak, Zsolt; Albrecht-Schmitt, Thomas E; Becker, Udo; Ewing, Rodney C.","Three new silver uranyl diphosphonates: structures and properties.","Inorganic chemistry","2014","53","6","2787","2796","10.1021/ic401897n","","","0.71073","MoKα","","0.0229","0.0219","","","0.0522","0.0527","","","","","","1.059","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337659","5.2713","0.0007","5.2713","0.0007","12.907","0.003","90","","90","","90","","358.64","0.11","293","2","293","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- Co8 H4 O20 P4 -","- Co8 O20 P4 -","- Co8 O20 P4 -","1","0.03125","","Wang, Guangmei; Valldor, Martin; Spielberg, Eike T.; Mudring, Anja-Verena","Ionothermal Synthesis, Crystal Structure, and Magnetic Study of Co2PO4OH Isostructural with Caminite.","Inorganic chemistry","2014","53","6","3072","3077","10.1021/ic4029904","","","0.71073","MoKα","","0.0893","0.0867","","","0.2494","0.254","","","","","","1.184","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337660","12.6563","0.0017","12.896","0.0017","15.892","0.002","90.1","0.002","107.326","0.002","91.163","0.002","2475.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H100 As2 Mo12 N12 O71 -","- C42 H36 As2 Mo12 N12 O71 -","- C42 H36 As2 Mo12 N12 O71 -","1","0.5","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Ligand-directed conformation of inorganic-organic molecular capsule and cage.","Inorganic chemistry","2014","53","6","3048","3053","10.1021/ic402882a","","","0.71073","MoKα","","0.0926","0.0796","","","0.2568","0.2667","","","","","","1.003","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337661","11.257","0.003","16.412","0.004","30.25","0.008","88.947","0.004","84.938","0.005","81.281","0.004","5502","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H113 As3 Mo18 N16 O101 -","- C15 H11 As3 Mo18 N16 O101 -","- C30 H22 As6 Mo36 N32 O202 -","2","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Ligand-directed conformation of inorganic-organic molecular capsule and cage.","Inorganic chemistry","2014","53","6","3048","3053","10.1021/ic402882a","","","0.71073","MoKα","","0.1245","0.0884","","","0.2057","0.2174","","","","","","1.053","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337662","12.066","0.012","21","0.02","21.87","0.03","76.18","0.03","74.673","0.018","74.569","0.016","5066","10","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H97 As2 Mo12 N11 O62 -","- C24 H36 As2 Mo12 N11 O62 -","- C48 H72 As4 Mo24 N22 O124 -","2","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Ligand-directed conformation of inorganic-organic molecular capsule and cage.","Inorganic chemistry","2014","53","6","3048","3053","10.1021/ic402882a","","","0.71073","MoKα","","0.1179","0.0641","","","0.1683","0.1882","","","","","","1.001","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337663","28.02","0.02","23.925","0.016","26.979","0.016","90","","99.551","0.017","90","","17835","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H139 As4 Mo24 N18 O132.5 -","- C36 H12 As4 Mo24 N18 O132.5 -","- C144 H48 As16 Mo96 N72 O530 -","4","0.5","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Ligand-directed conformation of inorganic-organic molecular capsule and cage.","Inorganic chemistry","2014","53","6","3048","3053","10.1021/ic402882a","","","0.71073","MoKα","","0.09","0.0486","","","0.118","0.1262","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337664","18.1583","0.0006","12.5089","0.0003","5.3882","0.0002","90","","105.058","0.003","90","","1181.85","0.07","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Mo3 O12 Rb2 Th -","- Mo3 O12 Rb2 Th -","- Mo12 O48 Rb8 Th4 -","4","0.5","","Xiao, Bin; Gesing, Thorsten M.; Kegler, Philip; Modolo, Giuseppe; Bosbach, Dirk; Schlenz, Hartmut; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","High-temperature phase transitions, spectroscopic properties, and dimensionality reduction in rubidium thorium molybdate family.","Inorganic chemistry","2014","53","6","3088","3098","10.1021/ic403003f","","","0.71073","MoKα","","0.0583","0.0349","","","0.0571","0.0654","","","","","","1.091","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337665","10.7163","0.0003","18.0594","0.0004","14.9941","0.0004","90","","103.417","0.003","90","","2822.61","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Mo6 O24 Rb8 Th -","- Mo6 O24 Rb8 Th -","- Mo24 O96 Rb32 Th4 -","4","0.5","","Xiao, Bin; Gesing, Thorsten M.; Kegler, Philip; Modolo, Giuseppe; Bosbach, Dirk; Schlenz, Hartmut; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","High-temperature phase transitions, spectroscopic properties, and dimensionality reduction in rubidium thorium molybdate family.","Inorganic chemistry","2014","53","6","3088","3098","10.1021/ic403003f","","","0.71073","MoKα","","0.0562","0.0464","","","0.1109","0.115","","","","","","1.143","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337666","26.889","0.0004","6.3934","0.0001","11.3566","0.0001","90","","113.986","0.001","90","","1783.74","0.04","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Mo4 O16 Rb4 Th -","- Mo4 O16 Rb4 Th -","- Mo16 O64 Rb16 Th4 -","4","0.5","","Xiao, Bin; Gesing, Thorsten M.; Kegler, Philip; Modolo, Giuseppe; Bosbach, Dirk; Schlenz, Hartmut; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","High-temperature phase transitions, spectroscopic properties, and dimensionality reduction in rubidium thorium molybdate family.","Inorganic chemistry","2014","53","6","3088","3098","10.1021/ic403003f","","","0.71073","MoKα","","0.0256","0.0231","","","0.0656","0.0676","","","","","","1.013","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337667","29.3907","0.0004","16.8025","0.0002","10.2016","0.0001","90","","101.539","0.001","90","","4936.11","0.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Mo12 O48 Rb4 Th5 -","- Mo12 O48 Rb4 Th5 -","- Mo48 O192 Rb16 Th20 -","4","0.5","","Xiao, Bin; Gesing, Thorsten M.; Kegler, Philip; Modolo, Giuseppe; Bosbach, Dirk; Schlenz, Hartmut; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","High-temperature phase transitions, spectroscopic properties, and dimensionality reduction in rubidium thorium molybdate family.","Inorganic chemistry","2014","53","6","3088","3098","10.1021/ic403003f","","","0.71073","MoKα","","0.0304","0.028","","","0.0597","0.0607","","","","","","1.08","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337668","10.9098","0.0005","14.1254","0.0005","14.4369","0.0006","110.622","0.004","102.013","0.004","90.398","0.003","2028.81","0.16","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C17.38 H10.38 Br Cl1.13 N2 O5 Re -","- C17.375 H10.375 Br Cl1.125 N2 O5 Re -","- C69.5 H41.5 Br4 Cl4.5 N8 O20 Re4 -","4","2","","Ng, Chi-On; Yiu, Shek-Man; Ko, Chi-Chiu","Synthesis, characterization, and photophysical study of luminescent rhenium(i) diimine complexes with various types of N-heterocyclic carbene ligands.","Inorganic chemistry","2014","53","6","3022","3031","10.1021/ic4028145","","","1.5418","CuKα","","0.0475","0.0456","","","0.1429","0.1446","","","","","","1.092","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337669","9.0574","0.0007","12.3624","0.0008","14.8748","0.001","70.632","0.006","74.249","0.006","80.3","0.006","1506.63","0.19","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H20 Cl2 F6 N4 O4 P Re -","- C27 H20 Cl2 F6 N4 O4 P Re -","- C54 H40 Cl4 F12 N8 O8 P2 Re2 -","2","1","","Ng, Chi-On; Yiu, Shek-Man; Ko, Chi-Chiu","Synthesis, characterization, and photophysical study of luminescent rhenium(i) diimine complexes with various types of N-heterocyclic carbene ligands.","Inorganic chemistry","2014","53","6","3022","3031","10.1021/ic4028145","","","1.54184","CUKα","","0.0241","0.0237","","","0.0615","0.0618","","","","","","1.064","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337670","18.281","0.0012","17.0715","0.0007","21.2735","0.0018","90","","114.253","0.008","90","","6053.2","0.8","133","2","133","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cl2 F6 N4 O3 P Re -","- C28 H20 Cl2 F6 N4 O3 P Re -","- C224 H160 Cl16 F48 N32 O24 P8 Re8 -","8","1","","Ng, Chi-On; Yiu, Shek-Man; Ko, Chi-Chiu","Synthesis, characterization, and photophysical study of luminescent rhenium(i) diimine complexes with various types of N-heterocyclic carbene ligands.","Inorganic chemistry","2014","53","6","3022","3031","10.1021/ic4028145","","","1.54184","CUKα","","0.0734","0.0558","","","0.195","0.256","","","","","","1.235","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337671","8.9611","0.0003","11.5117","0.0005","15.4666","0.0007","90.121","0.003","100.348","0.003","107.215","0.003","1496.63","0.11","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H21 Cl2 F6 N5 O2 P Re -","- C28 H21 Cl2 F6 N5 O2 P Re -","- C56 H42 Cl4 F12 N10 O4 P2 Re2 -","2","1","","Ng, Chi-On; Yiu, Shek-Man; Ko, Chi-Chiu","Synthesis, characterization, and photophysical study of luminescent rhenium(i) diimine complexes with various types of N-heterocyclic carbene ligands.","Inorganic chemistry","2014","53","6","3022","3031","10.1021/ic4028145","","","1.54184","CuKα","","0.0521","0.0516","","","0.1448","0.1454","","","","","","1.088","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337672","17.2744","0.0007","9.8309","0.0003","20.7285","0.0007","90","","112.302","0.004","90","","3256.9","0.2","133","2","133","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C28.25 H20.5 Cl2.5 F6 N4 O2 P Re S -","- C28.25 H20 Cl2.5 F6 N4 O2 P Re S -","- C113 H80 Cl10 F24 N16 O8 P4 Re4 S4 -","4","1","","Ng, Chi-On; Yiu, Shek-Man; Ko, Chi-Chiu","Synthesis, characterization, and photophysical study of luminescent rhenium(i) diimine complexes with various types of N-heterocyclic carbene ligands.","Inorganic chemistry","2014","53","6","3022","3031","10.1021/ic4028145","","","1.5418","CuKα","","0.058","0.0541","","","0.1416","0.145","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337673","24.796","0.002","14.781","0.0005","18.781","0.003","90","","119.867","0.015","90","","5969.2","1.4","133","2","133","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 Cl2 F6 N5 O2 P Re -","- C28 H19 Cl2 F6 N5 O2 P Re -","- C224 H152 Cl16 F48 N40 O16 P8 Re8 -","8","1","","Ng, Chi-On; Yiu, Shek-Man; Ko, Chi-Chiu","Synthesis, characterization, and photophysical study of luminescent rhenium(i) diimine complexes with various types of N-heterocyclic carbene ligands.","Inorganic chemistry","2014","53","6","3022","3031","10.1021/ic4028145","","","0.7107","MoKα","","0.0361","0.0283","","","0.0727","0.0792","","","","","","1.06","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337674","10.0785","0.0006","7.5317","0.0003","12.8559","0.0008","90","","110.743","0.007","90","","912.61","0.1","130","2","130","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C18 H10 Cu2 F4 N6 -","- C18 H10 Cu2 F4 N6 -","- C36 H20 Cu4 F8 N12 -","2","0.25","","Le, Thanh H.; Nafady, Ayman; Vo, Nguyen T.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Abrahams, Brendan F.; Martin, Lisandra L.; Bond, Alan M.","Electrochemically Directed Synthesis of Cu2(I)(TCNQF4(II-))(MeCN)2 (TCNQF4 = 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane): Voltammetry, Simulations, Bulk Electrolysis, Spectroscopy, Photoactivity, and X-ray Crystal Structure of the Cu2(I)(TCNQF4(II-))(EtCN)2 Analogue.","Inorganic chemistry","2014","53","6","3230","3242","10.1021/ic500225v","","","1.54184","CuKα","","0.0309","0.0285","","","0.0791","0.0801","","","","","","1.12","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337675","21.6694","0.0005","21.6694","0.0005","23.9946","0.0007","90","","90","","90","","11267","0.5","123","","123","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C76 H104 Cl8 N8 O20 V8 -","- C76 H104 Cl8 N8 O20 V8 -","- C304 H416 Cl32 N32 O80 V32 -","4","0.25","","Kodama, Shintaro; Taya, Nobuto; Ishii, Youichi","A Novel Octanuclear Vanadium(V) Oxide Cluster Complex Having an Unprecedented Neutral V8O20 Core Functionalized with 4,4'-Di-tert-butyl-2,2'-bipyridine.","Inorganic chemistry","2014","53","6","2754","2756","10.1021/ic4031393","","","0.71075","MoKα","","","0.048","","","","0.1325","","","","","","1.155","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337676","15.487","0.003","9.647","0.0015","18.471","0.003","90","","107.928","0.0017","90","","2625.6","0.8","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H72 N4 O16 V4 -","- C42 H68 N4 O16 V4 -","- C84 H136 N8 O32 V8 -","2","0.5","","Kodama, Shintaro; Taya, Nobuto; Ishii, Youichi","A Novel Octanuclear Vanadium(V) Oxide Cluster Complex Having an Unprecedented Neutral V8O20 Core Functionalized with 4,4'-Di-tert-butyl-2,2'-bipyridine.","Inorganic chemistry","2014","53","6","2754","2756","10.1021/ic4031393","","","0.71075","MoKα","","","0.0507","","","","0.1444","","","","","","1.072","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337677","14.19","0.004","14.19","0.004","40.593","0.01","90","","90","","120","","7079","3","150","","150","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C36 H18 Mg2 N6 O24 Ru -","- C36 H18 Mg2.005 N6 O24 Ru -","- C216 H108 Mg12.03 N36 O144 Ru6 -","6","0.333333","","Kobayashi, Atsushi; Ohba, Tadashi; Saitoh, Erika; Suzuki, Yui; Noro, Shin-Ichiro; Chang, Ho-Chol; Kato, Masako","Flexible Coordination Polymers Composed of Luminescent Ruthenium(II) Metalloligands: Importance of the Position of the Coordination Site in Metalloligands.","Inorganic chemistry","2014","53","6","2910","2921","10.1021/ic402683j","","","0.689","synchrotron","","","0.0509","","","","0.1661","","","","","","1.131","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337678","24.75","0.005","15.008","0.003","25.792","0.006","90","","111.957","0.002","90","","8885","3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N6 O21 Ru Sr2 -","- C36 H18 N6 O21 Ru Sr2 -","- C288 H144 N48 O168 Ru8 Sr16 -","8","2","","Kobayashi, Atsushi; Ohba, Tadashi; Saitoh, Erika; Suzuki, Yui; Noro, Shin-Ichiro; Chang, Ho-Chol; Kato, Masako","Flexible Coordination Polymers Composed of Luminescent Ruthenium(II) Metalloligands: Importance of the Position of the Coordination Site in Metalloligands.","Inorganic chemistry","2014","53","6","2910","2921","10.1021/ic402683j","","","0.6889","synchrotron","","","0.0767","","","","0.2436","","","","","","1.022","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337679","12.6003","0.0008","14.581","0.001","14.8558","0.001","101.241","0.002","96.253","0.002","108.479","0.003","2495.9","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H18 Mg2 N6 O27 Ru -","- C36 H18 Mg2 N6 O27 Ru -","- C72 H36 Mg4 N12 O54 Ru2 -","2","1","","Kobayashi, Atsushi; Ohba, Tadashi; Saitoh, Erika; Suzuki, Yui; Noro, Shin-Ichiro; Chang, Ho-Chol; Kato, Masako","Flexible Coordination Polymers Composed of Luminescent Ruthenium(II) Metalloligands: Importance of the Position of the Coordination Site in Metalloligands.","Inorganic chemistry","2014","53","6","2910","2921","10.1021/ic402683j","","","0.7107","MoKα","","","0.0665","","","","0.1987","","","","","","1.029","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337680","12.397","0.007","13.89","0.008","14.987","0.009","82.63","0.02","80.552","0.019","71.995","0.017","2413","2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 N6 O25 Ru Sr2 -","- C36 H18 N6 O25 Ru Sr2 -","- C72 H36 N12 O50 Ru2 Sr4 -","2","1","","Kobayashi, Atsushi; Ohba, Tadashi; Saitoh, Erika; Suzuki, Yui; Noro, Shin-Ichiro; Chang, Ho-Chol; Kato, Masako","Flexible Coordination Polymers Composed of Luminescent Ruthenium(II) Metalloligands: Importance of the Position of the Coordination Site in Metalloligands.","Inorganic chemistry","2014","53","6","2910","2921","10.1021/ic402683j","","","0.71075","MoKα","","","0.0938","","","","0.2791","","","","","","1.076","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337681","12.085","0.003","19.169","0.005","24.119","0.006","90","","90.341","0.004","90","","5587","2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Cd2 N6 O24 Ru -","- C36 H18 Cd2 N6 O24 Ru -","- C144 H72 Cd8 N24 O96 Ru4 -","4","1","","Kobayashi, Atsushi; Ohba, Tadashi; Saitoh, Erika; Suzuki, Yui; Noro, Shin-Ichiro; Chang, Ho-Chol; Kato, Masako","Flexible Coordination Polymers Composed of Luminescent Ruthenium(II) Metalloligands: Importance of the Position of the Coordination Site in Metalloligands.","Inorganic chemistry","2014","53","6","2910","2921","10.1021/ic402683j","","","0.689","synchrotron","","","0.0898","","","","0.2557","","","","","","1.096","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337682","17.854","0.009","16.428","0.008","15.648","0.008","90","","96.55","0.04","90","","4560","4","122","2","122","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H35.38 Cl2 Cr2 N10 O10.69 S2 -","- C42 H35.374 Cl2 Cr2 N10 O10.687 S2 -","- C168 H141.496 Cl8 Cr8 N40 O42.748 S8 -","4","1","","Morsing, Thorbjørn J; Bendix, Jesper; Weihe, Høgni; Døssing, Anders","Oxo-Bridged Dinuclear Chromium(III) Complexes: Correlation between the Optical and Magnetic Properties and the Basicity of the Oxo Bridge.","Inorganic chemistry","2014","53","6","2996","3003","10.1021/ic4027927","","","0.71073","MoKα","","0.0822","0.0555","","","","0.1591","","","","","","1.1396","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337683","10.313","0.0012","22.265","0.0019","12.431","0.001","90","","122.232","0.008","90","","2414.5","0.5","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","mu-oxo-bis[pentakis(methylisocyanide)chromium(III)]hexafluorophosphate","","- C24 H36 Cr2 F24 N12 O P4 -","- C24 H36 Cr2 F24 N12 O P4 -","- C48 H72 Cr4 F48 N24 O2 P8 -","2","0.5","","Morsing, Thorbjørn J; Bendix, Jesper; Weihe, Høgni; Døssing, Anders","Oxo-Bridged Dinuclear Chromium(III) Complexes: Correlation between the Optical and Magnetic Properties and the Basicity of the Oxo Bridge.","Inorganic chemistry","2014","53","6","2996","3003","10.1021/ic4027927","","","0.71073","MoKα","","0.0881","0.0702","","","0.1967","0.2206","","","","","","1.116","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337684","6.7175","0.001","28.871","0.004","8.2254","0.0013","90","","110.207","0.0016","90","","1497.1","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H32 Cl2 Cu N4 O8 -","- C28 H32 Cl2 Cu N4 O8 -","- C56 H64 Cl4 Cu2 N8 O16 -","2","1","","Merten, Christian; McDonald, Robert; Xu, Yunjie","Strong Solvent-Dependent Preference of Δ and Λ Stereoisomers of a Tris(diamine)nickel(II) Complex Revealed by Vibrational Circular Dichroism Spectroscopy.","Inorganic chemistry","2014","53","6","3177","3182","10.1021/ic4031766","","","0.71073","MoKα","","0.0458","0.0425","","","0.1173","0.1191","","","","","","1.146","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337685","14.744","0.0011","14.744","0.0011","42.978","0.003","90","","90","","120","","8091.1","1","173","2","173","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C48 H66 Cl2 N6 Ni O11 S3 -","- C48 H66 Cl2 N6 Ni O11 S3 -","- C288 H396 Cl12 N36 Ni6 O66 S18 -","6","0.333333","","Merten, Christian; McDonald, Robert; Xu, Yunjie","Strong Solvent-Dependent Preference of Δ and Λ Stereoisomers of a Tris(diamine)nickel(II) Complex Revealed by Vibrational Circular Dichroism Spectroscopy.","Inorganic chemistry","2014","53","6","3177","3182","10.1021/ic4031766","","","0.71073","MoKα","","0.0284","0.0264","","","0.0725","0.0739","","","","","","1.05","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337686","8.7233","0.0008","9.9107","0.0009","47.563","0.005","90","","91.594","0.003","90","","4110.4","0.7","193","2","193","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C34 H42 N4 Ni O8 S6 -","- C34 H39 N4 Ni O8 S6 -","- C136 H156 N16 Ni4 O32 S24 -","4","1","","Sun, Yong-Gang; Ji, Shu-Fang; Huo, Peng; Yin, Jing-Xue; Huang, Yu-De; Zhu, Qin-Yu; Dai, Jie","Role of the coordination center in photocurrent behavior of a tetrathiafulvalene and metal complex dyad.","Inorganic chemistry","2014","53","6","3078","3087","10.1021/ic402993y","","","0.7107","MoKα","","0.1283","0.0899","","","0.1436","0.1602","","","","","","1.046","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337687","9.4978","0.0013","13.3237","0.0019","14.205","0.002","77.79","0.01","76.45","0.009","73.682","0.009","1656.6","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H54 Cu2 I2 N10 O5 S12 -","- C52 H46 Cu2 I2 N10 O5 S12 -","- C52 H46 Cu2 I2 N10 O5 S12 -","1","0.5","","Sun, Yong-Gang; Ji, Shu-Fang; Huo, Peng; Yin, Jing-Xue; Huang, Yu-De; Zhu, Qin-Yu; Dai, Jie","Role of the coordination center in photocurrent behavior of a tetrathiafulvalene and metal complex dyad.","Inorganic chemistry","2014","53","6","3078","3087","10.1021/ic402993y","","","0.7107","MoKα","","0.035","0.0312","","","0.0717","0.0738","","","","","","1.086","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337688","17.167","0.003","8.5626","0.0011","19.717","0.003","90","","93.173","0.004","90","","2893.8","0.8","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 Cl2 Mn N8 O6 S12 -","- C48 H40 Cl2 Mn N8 O6 S12 -","- C96 H80 Cl4 Mn2 N16 O12 S24 -","2","0.5","","Sun, Yong-Gang; Ji, Shu-Fang; Huo, Peng; Yin, Jing-Xue; Huang, Yu-De; Zhu, Qin-Yu; Dai, Jie","Role of the coordination center in photocurrent behavior of a tetrathiafulvalene and metal complex dyad.","Inorganic chemistry","2014","53","6","3078","3087","10.1021/ic402993y","","","0.7107","MoKα","","0.0697","0.0596","","","0.1458","0.1511","","","","","","1.163","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337689","16.9769","0.0005","9.3993","0.0003","37.9843","0.0012","90","","93.495","0.002","90","","6049.9","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","N-tris(trimethylsilyl)sily-N-(trimethylsilyl)amino-bis(triflourocetyl)phosphane","","- C16 H36 F6 N O4 P Si5 -","- C16 H36 F6 N O4 P Si5 -","- C128 H288 F48 N8 O32 P8 Si40 -","8","1","","Schulz, Axel; Villinger, Alexander; Westenkirchner, Andrea","The Reactivity of Silylated Amino(dichloro)phosphanes in the Presence of Silver Salts.","Inorganic chemistry","2014","53","6","3183","3193","10.1021/ic500054w","","","0.71073","MoKα","","0.0607","0.0412","","","0.0921","0.0984","","","","","","1.04","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337690","9.7411","0.0004","17.2317","0.0009","27.1963","0.0014","90","","91.248","0.002","90","","4564","0.4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","bis{N-[(triflouoromethylsulfonato)-bis(trimethylsilyl)silyl]-N- (trimethylsilyl)amino}diphosphene","","- C20 H54 F6 N2 O6 P2 S2 Si8 -","- C20 H54 F6 N2 O6 P2 S2 Si8 -","- C80 H216 F24 N8 O24 P8 S8 Si32 -","4","1","","Schulz, Axel; Villinger, Alexander; Westenkirchner, Andrea","The Reactivity of Silylated Amino(dichloro)phosphanes in the Presence of Silver Salts.","Inorganic chemistry","2014","53","6","3183","3193","10.1021/ic500054w","","","0.71073","MoKα","","0.0903","0.0612","","","0.1759","0.1931","","","","","","1.077","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337691","14.7631","0.0002","14.7767","0.0002","24.6511","0.0004","73.796","0.001","88.587","0.001","89.952","0.001","5162.33","0.13","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H108 Ag4 Cl4 F20 N4 P4 Si16 -","- C60 H108 Ag4 Cl4 F20 N4 P4 Si16 -","- C120 H216 Ag8 Cl8 F40 N8 P8 Si32 -","2","1","","Schulz, Axel; Villinger, Alexander; Westenkirchner, Andrea","The Reactivity of Silylated Amino(dichloro)phosphanes in the Presence of Silver Salts.","Inorganic chemistry","2014","53","6","3183","3193","10.1021/ic500054w","","","0.71073","MoKα","","0.1096","0.046","","","0.0695","0.0846","","","","","","1.017","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337692","9.8121","0.0007","11.6925","0.0008","15.0723","0.0011","75.135","0.005","74.483","0.004","69.088","0.004","1531.32","0.19","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C25.17 H63.52 Cl14.83 Ga2 N4 P2 Si8 -","- C10.587 H27.761 Cl3.413 Ga N2 P Si4 -","- C21.174 H55.522 Cl6.826 Ga2 N4 P2 Si8 -","2","1","","Schulz, Axel; Villinger, Alexander; Westenkirchner, Andrea","The Reactivity of Silylated Amino(dichloro)phosphanes in the Presence of Silver Salts.","Inorganic chemistry","2014","53","6","3183","3193","10.1021/ic500054w","","","0.71073","MoKα","","0.0961","0.0557","","","0.1219","0.1342","","","","","","1.004","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337693","8.8451","0.0005","12.1525","0.0006","13.8638","0.0008","90.811","0.003","104.19","0.003","99.59","0.003","1422.2","0.14","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H30 Ag Cl F5 N2 P Si4 -","- C16.994 H29.982 Ag Cl F5 N2 P Si4 -","- C33.988 H59.964 Ag2 Cl2 F10 N4 P2 Si8 -","2","1","","Schulz, Axel; Villinger, Alexander; Westenkirchner, Andrea","The Reactivity of Silylated Amino(dichloro)phosphanes in the Presence of Silver Salts.","Inorganic chemistry","2014","53","6","3183","3193","10.1021/ic500054w","","","0.71073","MoKα","","0.0896","0.0496","","","0.1142","0.1343","","","","","","1.016","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337694","28.7479","0.0011","13.1009","0.0004","15.2495","0.0006","90","","90","","90","","5743.3","0.4","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C12 H32 Cl6 Ga N2 P Si4 -","- C12 H32 Cl6 Ga N2 P Si4 -","- C96 H256 Cl48 Ga8 N16 P8 Si32 -","8","2","","Schulz, Axel; Villinger, Alexander; Westenkirchner, Andrea","The Reactivity of Silylated Amino(dichloro)phosphanes in the Presence of Silver Salts.","Inorganic chemistry","2014","53","6","3183","3193","10.1021/ic500054w","","","0.71073","MoKα","","0.0938","0.0496","","","0.0763","0.0893","","","","","","1.011","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337695","17.195","0.003","25.155","0.005","9.9897","0.0018","90","","90","","90","","4320.9","1.4","30","2","30","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C34 H60 Cl2 F6 N12 O2 Os2 P -","- C34 H60 Cl2 F6 N12 O2 Os2 P -","- C136 H240 Cl8 F24 N48 O8 Os8 P4 -","4","0.5","","Cotton, F. Albert; Chiarella, Gina M.; Dalal, Naresh S.; Murillo, Carlos A.; Wang, Zhenxing; Young, Mark D.","Correction to Proof by EPR Spectroscopy that the Unpaired Electron in an Os2(7+) Species Is in a δ* Metal-based Molecular Orbital.","Inorganic chemistry","2014","53","6","3253","","10.1021/ic500117b","","","0.71073","MoKα","","0.063","0.0418","","","0.1039","0.1134","","","","","","1.395","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337696","10.7259","0.0017","16.573","0.003","22.259","0.004","90","","90.533","0.002","90","","3956.6","1.2","113","2","113","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C84 H70 B2 Cl4 Cu2 F8 N4 O2 P4 -","- C84 H70 B2 Cl4 Cu2 F8 N4 O2 P4 -","- C168 H140 B4 Cl8 Cu4 F16 N8 O4 P8 -","2","0.5","","Hattori, Yohei; Nishikawa, Michihiro; Kusamoto, Tetsuro; Kume, Shoko; Nishihara, Hiroshi","Regulation of the rate of dinucleation of a monocopper(i) complex containing bipyrimidine rotary units by restricted double pyrimidine rotation.","Inorganic chemistry","2014","53","6","2831","2840","10.1021/ic500074c","","","0.7107","MoKα","","","0.0386","","","","0.1015","","","","","","1.066","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337697","10.8667","0.0016","11.8041","0.0016","18.376","0.003","72.27","0.005","84.089","0.006","75.188","0.005","2169.7","0.6","113","2","113","","","","","","","","","9","P -1","-P 1","2","","","","- C47 H40 B Cl2 Cu F4 N4 O P2 -","- C47 H40 B Cl2 Cu F4 N4 O P2 -","- C94 H80 B2 Cl4 Cu2 F8 N8 O2 P4 -","2","1","","Hattori, Yohei; Nishikawa, Michihiro; Kusamoto, Tetsuro; Kume, Shoko; Nishihara, Hiroshi","Regulation of the rate of dinucleation of a monocopper(i) complex containing bipyrimidine rotary units by restricted double pyrimidine rotation.","Inorganic chemistry","2014","53","6","2831","2840","10.1021/ic500074c","","","0.7107","MoKα","","","0.0782","","","","0.2341","","","","","","1.085","","","","has coordinates,has disorder","179479","2020-10-21","18:00:00",""
"4337698","14.8203","0.0004","12.9107","0.0003","16.616","0.0005","90","","109.204","0.002","90","","3002.39","0.14","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 F6 N7 Ni2 O4 P -","- C28 H24 F6 N7 Ni2 O4 P -","- C112 H96 F24 N28 Ni8 O16 P4 -","4","0.5","","Wright, Ashley M.; Zaman, Homaira T.; Wu, Guang; Hayton, Trevor W.","Mechanistic Insights into the Formation of N2O by a Nickel Nitrosyl Complex.","Inorganic chemistry","2014","53","6","3108","3116","10.1021/ic403038e","","","0.71073","MoKα","","0.058","0.0458","","","0.0987","0.1057","","","","","","1.132","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337699","10.6523","0.0006","12.1166","0.0008","11.3286","0.0008","90","","109.374","0.005","90","","1379.38","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 Ni O3 -","- C14 H12 N4 Ni O3 -","- C56 H48 N16 Ni4 O12 -","4","1","","Wright, Ashley M.; Zaman, Homaira T.; Wu, Guang; Hayton, Trevor W.","Mechanistic Insights into the Formation of N2O by a Nickel Nitrosyl Complex.","Inorganic chemistry","2014","53","6","3108","3116","10.1021/ic403038e","","","0.71073","MoKα","","0.0462","0.0357","","","0.0798","0.0837","","","","","","1.028","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337700","10.837","0.003","16.351","0.005","23.731","0.006","70.639","0.007","88.309","0.007","86.922","0.006","3961.2","1.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30.5 H24 Cl F12 N10 Ni3 O4 P2 -","- C30.5 H24 Cl F12 N10 Ni3 O4 P2 -","- C122 H96 Cl4 F48 N40 Ni12 O16 P8 -","4","2","","Wright, Ashley M.; Zaman, Homaira T.; Wu, Guang; Hayton, Trevor W.","Mechanistic Insights into the Formation of N2O by a Nickel Nitrosyl Complex.","Inorganic chemistry","2014","53","6","3108","3116","10.1021/ic403038e","","","0.71073","MoKα","","0.1705","0.0982","","","0.2305","0.2573","","","","","","1.227","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337701","17.5372","0.0007","34.0208","0.001","16.9603","0.0007","90","","92.167","0.003","90","","10111.8","0.7","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 Co4 N8 O12 -","- C48 H56 Co4 N8 O12 -","- C384 H448 Co32 N64 O96 -","8","2","","Klinke, Felix J.; Das, Animesh; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Inducing Single Molecule Magnetic Behavior in a [Co4O4] Cubane via a Pronounced Solvatomagnetic Effect.","Inorganic chemistry","2014","53","6","2976","2982","10.1021/ic4027656","","","0.71073","MoKα","","0.113","0.0604","","","0.1016","0.1163","","","","","","1.026","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337702","8.6613","0.0014","18.601","0.003","19.603","0.004","65.515","0.007","80.203","0.007","89.382","0.007","2826","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H62 B3 F2 N3 -","- C63 H62 B3 F2 N3 -","- C126 H124 B6 F4 N6 -","2","1","","P, Chinna Ayya Swamy; Thilagar, Pakkirisamy","Triarylborane-appended new triad and tetrad: chromogenic and fluorogenic anion recognition.","Inorganic chemistry","2014","53","6","2776","2786","10.1021/ic402898n","","","0.71073","MoKα","","0.1471","0.0606","","","0.1747","0.2245","","","","","","0.754","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337703","3.8855","0.0005","15.424","0.002","11.2995","0.0015","90","","93.551","0.007","90","","675.88","0.15","260","2","260","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H9 Cl Cu N9 -","- C11 H9 Cl Cu N9 -","- C22 H18 Cl2 Cu2 N18 -","2","0.5","","Hui, Alice K.; Losovyj, Yaroslav; Lord, Richard L.; Caulton, Kenneth G.","Chemical Implications of Incompatible Ligand versus Metal Coordination Geometry Preferences.","Inorganic chemistry","2014","53","6","3039","3047","10.1021/ic402866e","","","0.71073","MoKα","","0.0789","0.0535","","","0.1182","0.1303","","","","","","1.07","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337704","8.287","0.004","19.251","0.009","20.497","0.009","90","","119.719","0.014","90","","2840","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 B Cl4 N9 O3 Zn -","- C22 H24 B Cl4 N9 O3 Zn -","- C88 H96 B4 Cl16 N36 O12 Zn4 -","4","1","","Varzatskii, Oleg A.; Penkova, Larysa V.; Kats, Svitlana V.; Dolganov, Alexander V.; Vologzhanina, Anna V.; Pavlov, Alexander A.; Novikov, Valentin V.; Bogomyakov, Artem S.; Nemykin, Victor N.; Voloshin, Yan Z.","Chloride Ion-Aided Self-Assembly of Pseudoclathrochelate Metal Tris-pyrazoloximates.","Inorganic chemistry","2014","53","6","3062","3071","10.1021/ic4029047","","","0.71073","MoKα","","0.1123","0.0507","","","0.075","0.0939","","","","","","1.002","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337705","8.2626","0.0008","19.1575","0.0019","20.499","0.002","90","","119.605","0.002","90","","2821.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 B Cl4 Co N9 O3 -","- C22 H24 B Cl4 Co N9 O3 -","- C88 H96 B4 Cl16 Co4 N36 O12 -","4","1","","Varzatskii, Oleg A.; Penkova, Larysa V.; Kats, Svitlana V.; Dolganov, Alexander V.; Vologzhanina, Anna V.; Pavlov, Alexander A.; Novikov, Valentin V.; Bogomyakov, Artem S.; Nemykin, Victor N.; Voloshin, Yan Z.","Chloride Ion-Aided Self-Assembly of Pseudoclathrochelate Metal Tris-pyrazoloximates.","Inorganic chemistry","2014","53","6","3062","3071","10.1021/ic4029047","","","0.71073","MoKα","","0.1209","0.0603","","","0.1131","0.1372","","","","","","1.008","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337706","8.9159","0.0014","12.727","0.002","13.286","0.002","107.528","0.003","99.747","0.003","106.006","0.003","1328.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H29 B Cl Fe N9 O4 -","- C21 H23 B Cl Fe N9 O3 -","- C42 H46 B2 Cl2 Fe2 N18 O6 -","2","1","","Varzatskii, Oleg A.; Penkova, Larysa V.; Kats, Svitlana V.; Dolganov, Alexander V.; Vologzhanina, Anna V.; Pavlov, Alexander A.; Novikov, Valentin V.; Bogomyakov, Artem S.; Nemykin, Victor N.; Voloshin, Yan Z.","Chloride Ion-Aided Self-Assembly of Pseudoclathrochelate Metal Tris-pyrazoloximates.","Inorganic chemistry","2014","53","6","3062","3071","10.1021/ic4029047","","","0.71073","MoKα","","0.0662","0.0534","","","0.0924","0.0966","","","","","","1.007","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337707","9.0064","0.0007","12.7956","0.001","13.2377","0.0016","108.882","0.002","99.828","0.002","106.186","0.002","1327.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H29 B Cl Mn N9 O4 -","- C23 H29 B Cl Mn N9 O4 -","- C46 H58 B2 Cl2 Mn2 N18 O8 -","2","1","","Varzatskii, Oleg A.; Penkova, Larysa V.; Kats, Svitlana V.; Dolganov, Alexander V.; Vologzhanina, Anna V.; Pavlov, Alexander A.; Novikov, Valentin V.; Bogomyakov, Artem S.; Nemykin, Victor N.; Voloshin, Yan Z.","Chloride Ion-Aided Self-Assembly of Pseudoclathrochelate Metal Tris-pyrazoloximates.","Inorganic chemistry","2014","53","6","3062","3071","10.1021/ic4029047","","","0.71073","MoKα","","0.1057","0.0651","","","0.1298","0.1482","","","","","","1.003","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337708","12.163","0.0003","12.163","0.0003","13.94","0.0004","90","","90","","120","","1785.97","0.08","100","2","100","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ag Ba3 S6 U -","- Ag Ba3 S6 U -","- Ag6 Ba18 S36 U6 -","6","0.166667","","Mesbah, Adel; Malliakas, Christos D.; Lebègue, Sébastien; Sarjeant, Amy A.; Stojko, Wojciech; Koscielski, Lukasz A.; Ibers, James A.","Syntheses, Structures, and Electronic Properties of Ba3FeUS6 and Ba3AgUS6.","Inorganic chemistry","2014","53","6","2899","2903","10.1021/ic4026574","","","0.71073","MoKα","","0.0138","0.0132","","","0.0276","0.0276","","","","","","2.597","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337709","12.0314","0.0004","12.0314","0.0004","13.3812","0.0005","90","","90","","120","","1677.48","0.1","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Fe S6 U -","- Ba3 Fe S6 U -","- Ba18 Fe6 S36 U6 -","6","0.166667","","Mesbah, Adel; Malliakas, Christos D.; Lebègue, Sébastien; Sarjeant, Amy A.; Stojko, Wojciech; Koscielski, Lukasz A.; Ibers, James A.","Syntheses, Structures, and Electronic Properties of Ba3FeUS6 and Ba3AgUS6.","Inorganic chemistry","2014","53","6","2899","2903","10.1021/ic4026574","","","0.71073","MoKα","","0.0213","0.021","","","0.0556","0.0558","","","","","","1.336","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337710","6.8046","0.0006","8.767","0.0008","23.3292","0.0018","90","","99.518","0.002","90","","1372.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cd N6 O4 -","- C30 H28 Cd N6 O4 -","- C60 H56 Cd2 N12 O8 -","2","0.5","","Cao, Wei; Zheng, Xiang-Jun; Sun, Ji-Ping; Wong, Wing-Tak; Fang, De-Cai; Zhang, Jia-Xin; Jin, Lin-Pei","A Highly Selective Chemosensor for Al(III) and Zn(II) and Its Coordination with Metal Ions.","Inorganic chemistry","2014","53","6","3012","3021","10.1021/ic402811x","","","0.71073","MoKα","","0.0692","0.0427","","","0.0818","0.0906","","","","","","1.005","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337711","6.7712","0.0013","8.7395","0.0017","22.99","0.005","90","","98.451","0.004","90","","1345.7","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Co N6 O4 -","- C30 H28 Co N6 O4 -","- C60 H56 Co2 N12 O8 -","2","0.5","","Cao, Wei; Zheng, Xiang-Jun; Sun, Ji-Ping; Wong, Wing-Tak; Fang, De-Cai; Zhang, Jia-Xin; Jin, Lin-Pei","A Highly Selective Chemosensor for Al(III) and Zn(II) and Its Coordination with Metal Ions.","Inorganic chemistry","2014","53","6","3012","3021","10.1021/ic402811x","","","0.71073","MoKα","","0.0857","0.0447","","","0.0874","0.1039","","","","","","1.019","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337712","6.761","0.0014","8.7428","0.0017","22.919","0.005","90","","98.426","0.003","90","","1340.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N6 Ni O4 -","- C30 H28 N6 Ni O4 -","- C60 H56 N12 Ni2 O8 -","2","0.5","","Cao, Wei; Zheng, Xiang-Jun; Sun, Ji-Ping; Wong, Wing-Tak; Fang, De-Cai; Zhang, Jia-Xin; Jin, Lin-Pei","A Highly Selective Chemosensor for Al(III) and Zn(II) and Its Coordination with Metal Ions.","Inorganic chemistry","2014","53","6","3012","3021","10.1021/ic402811x","","","0.71073","MoKα","","0.0588","0.0397","","","0.0962","0.1048","","","","","","1.02","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337713","6.7782","0.0006","8.7472","0.0008","22.946","0.002","90","","98.465","0.002","90","","1345.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Mg N6 O4 -","- C30 H28 Mg N6 O4 -","- C60 H56 Mg2 N12 O8 -","2","0.5","","Cao, Wei; Zheng, Xiang-Jun; Sun, Ji-Ping; Wong, Wing-Tak; Fang, De-Cai; Zhang, Jia-Xin; Jin, Lin-Pei","A Highly Selective Chemosensor for Al(III) and Zn(II) and Its Coordination with Metal Ions.","Inorganic chemistry","2014","53","6","3012","3021","10.1021/ic402811x","","","0.71073","MoKα","","0.0776","0.0453","","","0.1065","0.1214","","","","","","1.023","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337714","12.3448","0.0013","7.082","0.0008","7.2016","0.0008","90","","103.408","0.002","90","","612.45","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Plutonium(III) molybdate bromide hydrate","","","- Br Mo O5 Pu -","- Br Mo O5 Pu -","- Br4 Mo4 O20 Pu4 -","4","1","","Cross, Justin N.; Cary, Samantha K.; Stritzinger, Jared T.; Polinski, Matthew J.; Albrecht Schmitt, Thomas E.","Synthesis and Spectroscopy of New Plutonium(III) and -(IV) Molybdates: Comparisons of Electronic Characteristics.","Inorganic chemistry","2014","53","6","3148","3152","10.1021/ic403116r","","","0.71073","MoKα","","0.037","0.0323","","","0.0888","0.0908","","","","","","1.159","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337715","12.6873","0.0017","22.052","0.003","7.8057","0.001","90","","96.683","0.003","90","","2169","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Plutonium(IV) hexamolybdate hydrate","","","- Mo6 O26 Pu3 -","- Mo6 O26 Pu3 -","- Mo24 O104 Pu12 -","4","0.5","","Cross, Justin N.; Cary, Samantha K.; Stritzinger, Jared T.; Polinski, Matthew J.; Albrecht Schmitt, Thomas E.","Synthesis and Spectroscopy of New Plutonium(III) and -(IV) Molybdates: Comparisons of Electronic Characteristics.","Inorganic chemistry","2014","53","6","3148","3152","10.1021/ic403116r","","","0.71073","MoKα","","0.0429","0.0334","","","0.0637","0.0667","","","","","","1.128","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337716","17.3669","0.0003","17.3669","0.0003","25.4356","0.0005","90","","90","","120","","6643.8","0.2","296","2","296","2","","","","","","","","4","R -3 c","-R 3 2""c","167","Neodymium(III) dodecamolybdate hydrate","","","- H0 Mo12 Nd4 O53 -","- Mo12 Nd4 O53 -","- Mo72 Nd24 O318 -","6","","","Cross, Justin N.; Cary, Samantha K.; Stritzinger, Jared T.; Polinski, Matthew J.; Albrecht Schmitt, Thomas E.","Synthesis and Spectroscopy of New Plutonium(III) and -(IV) Molybdates: Comparisons of Electronic Characteristics.","Inorganic chemistry","2014","53","6","3148","3152","10.1021/ic403116r","","","0.71073","MoKα","","0.049","0.0365","","","0.0944","0.1014","","","","","","1.059","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337717","8.4187","0.0007","8.5857","0.0008","8.6384","0.0008","90","","92.484","0.002","90","","623.8","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 P2 -","- C12 H16 N2 P2 -","- C24 H32 N4 P4 -","2","0.5","","Kornev, Alexander N.; Sushev, Vyacheslav V.; Panova, Yulia S.; Lukoyanova, Olga V.; Ketkov, Sergey Yu; Baranov, Evgenii V.; Fukin, Georgy K.; Lopatin, Mikhail A.; Budnikova, Yulia G.; Abakumov, Gleb A.","N,N'-fused bisphosphole: heteroaromatic molecule with two-coordinate and formally divalent phosphorus. Synthesis, electronic structure, and chemical properties.","Inorganic chemistry","2014","53","6","3243","3252","10.1021/ic500274h","","","0.71073","MoKα","","0.111","0.0854","","","0.2073","0.2238","","","","","","1.034","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337718","12.9608","0.0006","11.117","0.0005","23.3096","0.0012","90","","100.033","0.001","90","","3307.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cl6 Ge2 N4 P4 -","- C24 H32 Cl6 Ge2 N4 P4 -","- C96 H128 Cl24 Ge8 N16 P16 -","4","1","","Kornev, Alexander N.; Sushev, Vyacheslav V.; Panova, Yulia S.; Lukoyanova, Olga V.; Ketkov, Sergey Yu; Baranov, Evgenii V.; Fukin, Georgy K.; Lopatin, Mikhail A.; Budnikova, Yulia G.; Abakumov, Gleb A.","N,N'-fused bisphosphole: heteroaromatic molecule with two-coordinate and formally divalent phosphorus. Synthesis, electronic structure, and chemical properties.","Inorganic chemistry","2014","53","6","3243","3252","10.1021/ic500274h","","","0.71073","MoKα","","0.045","0.0308","","","0.0694","0.0738","","","","","","1.035","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337719","11.9905","0.0005","11.9905","0.0005","33.8096","0.0014","90","","90","","120","","4209.6","0.3","100","2","100","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C76 H104 Cl4 Hg2 N12 O P12 -","- C76.08 H104.16 Cl4 Hg2 N12 O1.02 P12 -","- C152.16 H208.32 Cl8 Hg4 N24 O2.04 P24 -","2","0.166667","","Kornev, Alexander N.; Sushev, Vyacheslav V.; Panova, Yulia S.; Lukoyanova, Olga V.; Ketkov, Sergey Yu; Baranov, Evgenii V.; Fukin, Georgy K.; Lopatin, Mikhail A.; Budnikova, Yulia G.; Abakumov, Gleb A.","N,N'-fused bisphosphole: heteroaromatic molecule with two-coordinate and formally divalent phosphorus. Synthesis, electronic structure, and chemical properties.","Inorganic chemistry","2014","53","6","3243","3252","10.1021/ic500274h","","","0.71073","MoKα","","0.0585","0.0465","","","0.0851","0.0884","","","","","","1.054","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337720","12.6252","0.0004","9.1344","0.0003","18.7997","0.0006","90","","104.976","0.001","90","","2094.41","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cl2 N2 P2 Sn -","- C19 H24 Cl2 N2 P2 Sn -","- C76 H96 Cl8 N8 P8 Sn4 -","4","1","","Kornev, Alexander N.; Sushev, Vyacheslav V.; Panova, Yulia S.; Lukoyanova, Olga V.; Ketkov, Sergey Yu; Baranov, Evgenii V.; Fukin, Georgy K.; Lopatin, Mikhail A.; Budnikova, Yulia G.; Abakumov, Gleb A.","N,N'-fused bisphosphole: heteroaromatic molecule with two-coordinate and formally divalent phosphorus. Synthesis, electronic structure, and chemical properties.","Inorganic chemistry","2014","53","6","3243","3252","10.1021/ic500274h","","","0.71073","MoKα","","0.0184","0.017","","","0.0437","0.0442","","","","","","1.043","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337721","10.0532","0.0006","9.6052","0.0005","16.726","0.0009","90","","104.705","0.001","90","","1562.21","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl2 N2 P2 Sn -","- C12 H16 Cl2 N2 P2 Sn -","- C48 H64 Cl8 N8 P8 Sn4 -","4","1","","Kornev, Alexander N.; Sushev, Vyacheslav V.; Panova, Yulia S.; Lukoyanova, Olga V.; Ketkov, Sergey Yu; Baranov, Evgenii V.; Fukin, Georgy K.; Lopatin, Mikhail A.; Budnikova, Yulia G.; Abakumov, Gleb A.","N,N'-fused bisphosphole: heteroaromatic molecule with two-coordinate and formally divalent phosphorus. Synthesis, electronic structure, and chemical properties.","Inorganic chemistry","2014","53","6","3243","3252","10.1021/ic500274h","","","0.71073","MoKα","","0.0241","0.0214","","","0.0539","0.0551","","","","","","1.008","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337722","17.31","0.004","9.1759","0.0019","29.294","0.006","90","","95.267","0.007","90","","4633.3","1.7","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C51 H47 B Fe N6 O4 -","- C51 H47 B Fe N6 O4 -","- C204 H188 B4 Fe4 N24 O16 -","4","1","","Paria, Sayantan; Chatterjee, Sayanti; Paine, Tapan Kanti","Reactivity of an Iron-Oxygen Oxidant Generated upon Oxidative Decarboxylation of Biomimetic Iron(II) α-Hydroxy Acid Complexes.","Inorganic chemistry","2014","53","6","2810","2821","10.1021/ic402443r","","","0.71073","MoKα","","0.0877","0.0809","","","0.216","0.2195","","","","","","1.212","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337723","10.0685","0.0011","35.818","0.004","15.7399","0.0013","90","","123.364","0.005","90","","4740.8","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H43 B Cl2 Fe N6 O4 -","- C54 H43 B Cl2 Fe N6 O4 -","- C216 H172 B4 Cl8 Fe4 N24 O16 -","4","1","","Paria, Sayantan; Chatterjee, Sayanti; Paine, Tapan Kanti","Reactivity of an Iron-Oxygen Oxidant Generated upon Oxidative Decarboxylation of Biomimetic Iron(II) α-Hydroxy Acid Complexes.","Inorganic chemistry","2014","53","6","2810","2821","10.1021/ic402443r","","","0.71073","MoKα","","0.0759","0.0601","","","0.1439","0.1545","","","","","","1.044","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337724","24.2185","0.0014","24.2185","0.0014","24.2185","0.0014","90","","90","","90","","14205","1.4","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C72 H101 Fe N9 O6 -","- C71.9995 H100.997 Fe N9 O6 -","- C575.996 H807.972 Fe8 N72 O48 -","8","0.333333","","Adelhardt, Mario; Chalkley, Matthew J.; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Meyer, Karsten","Synthesis and characterization of iron trisphenolate complexes with hydrogen-bonding cavities.","Inorganic chemistry","2014","53","6","2763","2765","10.1021/ic5002286","","","0.71073","MoKα","","0.084","0.0689","","","0.1805","0.1959","","","","","","1.075","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337725","23.772","0.003","23.772","0.003","23.772","0.003","90","","90","","90","","13434","3","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C69.5 H98.5 N8.5 O6 Zn -","- C69.5 H95.9997 N8.50001 O6 Zn -","- C556 H767.998 N68.0001 O48 Zn8 -","8","0.333333","","Adelhardt, Mario; Chalkley, Matthew J.; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Meyer, Karsten","Synthesis and characterization of iron trisphenolate complexes with hydrogen-bonding cavities.","Inorganic chemistry","2014","53","6","2763","2765","10.1021/ic5002286","","","0.71073","MoKα","","0.0586","0.0403","","","0.1056","0.1202","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337726","51.022","0.003","8.3174","0.0004","36.5011","0.0018","90","","132.078","0.002","90","","11497.2","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60.8 H74.6 N5 O7.4 S2 -","- C60.8 H73 N5 O7.4 S2 -","- C486.4 H584 N40 O59.2 S16 -","8","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","1.54178","CuKα","","0.044","0.0369","","","0.0949","0.0994","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337727","15.904","0.002","18.674","0.003","19.304","0.003","72.31","0.002","69.182","0.002","76.54","0.003","5055.1","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C113 H151 K2 N10 O5 -","- C112.992 H150.98 K2 N10 O4.998 -","- C225.984 H301.96 K4 N20 O9.996 -","2","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.1171","0.0775","","","0.2139","0.2473","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337728","16.416","0.002","14.879","0.002","18.542","0.001","90","","105.713","0.007","90","","4359.7","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H58.5 Cl Mn N5.5 O -","- C48.5 H58.5 Cl Mn N5.5 O -","- C194 H234 Cl4 Mn4 N22 O4 -","4","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.0928","0.0483","","","0.0977","0.1158","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337729","25.774","0.002","16.383","0.002","29.054","0.003","90","","114.11","0.002","90","","11198","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H74 Mn N8 O -","- C64 H74 Mn N8 O -","- C512 H592 Mn8 N64 O8 -","8","2","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.1105","0.0545","","","0.1098","0.1296","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337730","10.1155","0.0011","11.4124","0.0012","20.714","0.002","89.033","0.002","85.62","0.002","79.081","0.002","2341.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 Cl Fe N7 O -","- C50 H62 Cl Fe N7 O -","- C100 H124 Cl2 Fe2 N14 O2 -","2","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.0488","0.0395","","","0.0963","0.1005","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337731","24.081","0.005","16.332","0.0015","35.883","0.002","90","","131.205","0.011","90","","10618","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55.39 H79.18 Fe N8.61 O3.5 -","- C55.3985 H79.1955 Fe N8.6015 O3.5 -","- C443.188 H633.564 Fe8 N68.812 O28 -","8","2","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.0782","0.0545","","","0.1394","0.154","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337732","9.7911","0.0003","11.4573","0.0007","40.34","0.003","90","","90","","90","","4525.3","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H59 Cl Co N6 O -","- C48 H59 Cl Co N6 O -","- C192 H236 Cl4 Co4 N24 O4 -","4","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.0446","0.0341","","","0.0745","0.078","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337733","9.655","0.002","13.96","0.003","21.756","0.004","100.652","0.004","93.97","0.004","103.686","0.004","2780.3","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H80 Co F6 N5 O4 P -","- C58 H80 Co F6 N5 O4 P -","- C116 H160 Co2 F12 N10 O8 P2 -","2","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.0762","0.0544","","","0.1267","0.1366","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337734","16.2835","0.0014","16.5632","0.0014","23.247","0.002","83.346","0.002","71.426","0.002","60.9094","0.0019","5187.8","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H150 Co2 N16 O6 -","- C114 H150 Co2 N16 O6 -","- C228 H300 Co4 N32 O12 -","2","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.0591","0.0455","","","0.1183","0.1274","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337735","18.366","0.002","21.614","0.003","27.656","0.003","90","","106.599","0.003","90","","10521","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H80 Mn N3 O5.5 -","- C58 H80 Mn N3 O5.5 -","- C464 H640 Mn8 N24 O44 -","8","2","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.1402","0.0973","","","0.2419","0.2621","","","","","","1.765","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337736","28.968","0.002","21.6574","0.0018","18.0292","0.0014","90","","109.178","0.002","90","","10683.3","1.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59.2 H80.31 Fe N3 O4.3 -","- C59.196 H80.306 Fe N3 O4.299 -","- C473.568 H642.448 Fe8 N24 O34.392 -","8","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.1081","0.0694","","","0.1955","0.2101","","","","","","1.602","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337737","19.701","0.0011","21.8705","0.0014","13.0814","0.0009","90","","116.207","0.004","90","","5057","0.6","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H63 Cl6 Co N3 O2 -","- C52 H63 Cl6 Co N3 O2 -","- C208 H252 Cl24 Co4 N12 O8 -","4","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.0649","0.0492","","","0.1199","0.1302","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337738","11.0606","0.0008","26.262","0.002","28.395","0.002","90","","90","","90","","8248","1","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C90 H96 Mn N2 O3 P2 -","- C90 H96 Mn N2 O3 P2 -","- C360 H384 Mn4 N8 O12 P8 -","4","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.1033","0.0963","","","0.2314","0.2357","","","","","","1.142","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337739","11.0427","0.0008","26.2778","0.0019","28.351","0.002","90","","90","","90","","8226.8","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C100 H112 Fe N2 O5 P2 -","- C100 H112 Fe N2 O5 P2 -","- C400 H448 Fe4 N8 O20 P8 -","4","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.057","0.0467","","","0.1185","0.1258","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337740","14.176","0.002","14.365","0.002","20.562","0.002","92.717","0.01","94.758","0.007","106.976","0.006","3979.7","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H106 Co N2 O5 P2 -","- C94 H105.995 Co N2 O4.999 P2 -","- C188 H211.99 Co2 N4 O9.998 P4 -","2","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.0841","0.0496","","","0.1109","0.126","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337741","11.8382","0.0003","15.215","0.0004","15.3292","0.0004","88.652","0.002","69.946","0.001","84.812","0.001","2582.96","0.12","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H59 F6 Fe N7 O7 S2 -","- C48 H59 F6 Fe N7 O7 S2 -","- C96 H118 F12 Fe2 N14 O14 S4 -","2","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.0806","0.0495","","","0.1112","0.1263","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337742","14.6042","0.0016","27.0532","0.0017","15.9969","0.0014","90","","115.288","0.007","90","","5714.6","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C122 H172 Co2 N2 Na2 O8 -","- C122 H172 Co2 N2 Na2 O8 -","- C244 H344 Co4 N4 Na4 O16 -","2","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.0789","0.0497","","","0.1037","0.1138","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337743","15.3028","0.0012","15.9303","0.0009","18.704","0.0013","66.569","0.005","84.488","0.007","65.275","0.005","3786.6","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H102 Co N4 O3 P2 -","- C85 H102 Co N4 O3 P2 -","- C170 H204 Co2 N8 O6 P4 -","2","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.0759","0.0479","","","0.1089","0.1215","","","","","","1.128","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337744","8.4293","0.0002","19.255","0.0006","14.5767","0.0004","90","","90","","90","","2365.89","0.11","230.01","0.1","230.01","0.1","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B3 Cs O7 Zn2 -","- B3 Cs O7 Zn2 -","- B36 Cs12 O84 Zn24 -","12","1.5","","Zhao, Sangen; Zhang, Jia; Zhang, Shu-Quan; Sun, Zhihua; Lin, Zheshuai; Wu, Yicheng; Hong, Maochun; Luo, Junhua","A New UV Nonlinear Optical Material CsZn2B3O7: ZnO4 Tetrahedra Double the Efficiency of Second-Harmonic Generation.","Inorganic chemistry","2014","53","5","2521","2527","10.1021/ic402667m","","","0.71073","MoKα","","0.0362","0.0309","","","0.0581","0.0615","","","","","","1.023","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337745","14.755","0.005","14.82","0.004","15.716","0.003","61.31","0.02","64","0.02","80.77","0.03","2704.1","1.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H36 Cl3 N2 O9 Re3 S2 -","- C57 H36 Cl3 N2 O9 Re3 S2 -","- C114 H72 Cl6 N4 O18 Re6 S4 -","2","1","","Kaur, Tejinder; Ghosh, Avijit; Rajakannu, Palanisamy; Ravikanth, Mangalampalli","Synthesis and Crystal Structure of the Rhenium(I) Tricarbonyl Complex of 5,10,15,20-Tetra-p-tolyl-21,23-dithiaporphyrin.","Inorganic chemistry","2014","53","5","2355","2357","10.1021/ic4029832","","","0.71075","MoKα","","0.0927","0.0885","","","0.2355","0.2392","","","","","","1.072","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337746","10.1942","0.0005","16.8268","0.0009","15.6678","0.0008","90","","90","","90","","2687.6","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Tetrabutylammonium trichlorido-glycinato-nitrosyl-ruthenate(III)","","- C18 H40 Cl3 N3 O3 Ru -","- C18 H40 Cl3 N3 O3 Ru -","- C72 H160 Cl12 N12 O12 Ru4 -","4","1","","Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.","Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.","Inorganic chemistry","2014","53","5","2718","2729","10.1021/ic4031359","","","0.71073","MoKα","","0.0503","0.0321","","","0.0732","0.0844","","","","","","1.001","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337747","15.3062","0.0008","17.0885","0.0008","31.366","0.0016","90","","91.371","0.003","90","","8201.7","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tetrabutylammonium trichlorido-L-alaninato-nitrosyl-ruthenate(III)","","- C114 H254 Cl18 N18 O19 Ru6 -","- C114 H252 Cl18 N18 O19 Ru6 -","- C228 H504 Cl36 N36 O38 Ru12 -","2","1","","Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.","Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.","Inorganic chemistry","2014","53","5","2718","2729","10.1021/ic4031359","","","0.71073","MoKα","","0.0634","0.0566","","","0.1304","0.1346","","","","","","1.132","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337748","8.6937","0.0008","13.8069","0.0012","22.711","0.002","90","","90","","90","","2726.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrabutylammonium trichlorido-L-valinato-nitrosyl-ruthenate(III)","","- C21 H46 Cl3 N3 O3 Ru -","- C21 H46 Cl3 N3 O3 Ru -","- C84 H184 Cl12 N12 O12 Ru4 -","4","1","","Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.","Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.","Inorganic chemistry","2014","53","5","2718","2729","10.1021/ic4031359","","","0.71073","MoKα","","0.0751","0.0634","","","0.1565","0.1656","","","","","","1.092","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337749","10.2263","0.0004","15.6517","0.0006","17.9281","0.0007","90","","90","","90","","2869.55","0.19","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrabutylammonium trichlorido-L-prolinato-nitrosyl-ruthenate(III)","","- C21 H44 Cl3 N3 O3 Ru -","- C21 H44 Cl3 N3 O3 Ru -","- C84 H176 Cl12 N12 O12 Ru4 -","4","1","","Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.","Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.","Inorganic chemistry","2014","53","5","2718","2729","10.1021/ic4031359","","","0.71073","MoKα","","0.0153","0.0147","","","0.0412","0.0418","","","","","","1.025","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337750","10.1919","0.0019","15.628","0.003","17.93","0.004","90","","90","","90","","2855.9","1","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrabutylammonium trichlorido-D-prolinato-nitrosyl-ruthenate(III)","","- C21 H44 Cl3 N3 O3 Ru -","- C21 H44 Cl3 N3 O3 Ru -","- C84 H176 Cl12 N12 O12 Ru4 -","4","1","","Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.","Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.","Inorganic chemistry","2014","53","5","2718","2729","10.1021/ic4031359","","","0.71073","MoKα","","0.0971","0.0539","","","0.1131","0.1326","","","","","","1.01","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337751","9.7963","0.0004","10.7133","0.0004","13.6446","0.0006","75.44","0.002","85.146","0.002","79.953","0.002","1363.52","0.1","100","2","100","2","","","","","","","","6","P 1","P 1","1","","Tetrabutylammonium trichlorido-L-serinato-nitrosyl-ruthenate(III)","","- C19 H42.15 Cl3 N3 O4.08 Ru -","- C19 H42 Cl3 N3 O4.075 Ru -","- C38 H84 Cl6 N6 O8.15 Ru2 -","2","2","","Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.","Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.","Inorganic chemistry","2014","53","5","2718","2729","10.1021/ic4031359","","","0.71073","MoKα","","0.0243","0.0211","","","0.0491","0.0508","","","","","","1.003","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337752","12.6677","0.0012","10.7195","0.001","20.253","0.002","90","","102.943","0.005","90","","2680.3","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tetrabutylammonium trichlorido-L-threoninato-nitrosyl-ruthenate(III)","","- C20 H44 Cl3 N3 O4 Ru -","- C20 H44 Cl3 N3 O4 Ru -","- C80 H176 Cl12 N12 O16 Ru4 -","4","2","","Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.","Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.","Inorganic chemistry","2014","53","5","2718","2729","10.1021/ic4031359","","","0.71073","MoKα","","0.0501","0.043","","","0.1059","0.111","","","","","","1.065","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337753","9.9542","0.0003","17.118","0.0006","17.8215","0.0006","90","","90","","90","","3036.71","0.17","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrabutylammonium trichlorido-L-tyrosinato-nitrosyl-ruthenate(III)","","- C25 H46 Cl3 N3 O4 Ru -","- C25 H46 Cl3 N3 O4 Ru -","- C100 H184 Cl12 N12 O16 Ru4 -","4","1","","Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.","Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.","Inorganic chemistry","2014","53","5","2718","2729","10.1021/ic4031359","","","0.71073","MoKα","","0.0362","0.0318","","","0.0786","0.0816","","","","","","1.003","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337754","12.2371","0.0009","18.0253","0.0013","14.2323","0.001","90","","115.091","0.002","90","","2843.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 Cl2 N7 O2 U -","- C29 H23 Cl2 N7 O2 U -","- C116 H92 Cl8 N28 O8 U4 -","4","1","","Copping, Roy; Jeon, Byoungseon; Pemmaraju, C. Das; Wang, Shuao; Teat, Simon J.; Janousch, Markus; Tyliszczak, Tolek; Canning, Andrew; Grønbech-Jensen, Niels; Prendergast, David; Shuh, David K.","Toward Equatorial Planarity about Uranyl: Synthesis and Structure of Tridentate Nitrogen-Donor {UO2}(2+) Complexes.","Inorganic chemistry","2014","53","5","2506","2515","10.1021/ic4026359","","","0.7749","synchrotron","","0.035","0.0305","","","0.0794","0.0826","","","","","","1.039","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337755","14.4978","0.001","8.6973","0.0006","21.3949","0.0014","90","","101.319","0.002","90","","2645.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 Cl N7 O2 U -","- C29 H22 Cl N7 O2 U -","- C116 H88 Cl4 N28 O8 U4 -","4","1","","Copping, Roy; Jeon, Byoungseon; Pemmaraju, C. Das; Wang, Shuao; Teat, Simon J.; Janousch, Markus; Tyliszczak, Tolek; Canning, Andrew; Grønbech-Jensen, Niels; Prendergast, David; Shuh, David K.","Toward Equatorial Planarity about Uranyl: Synthesis and Structure of Tridentate Nitrogen-Donor {UO2}(2+) Complexes.","Inorganic chemistry","2014","53","5","2506","2515","10.1021/ic4026359","","","0.7749","synchrotron","","0.0428","0.0377","","","0.0944","0.0971","","","","","","1.084","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337756","8.4712","0.0007","14.868","0.0013","20.3713","0.0018","80.382","0.002","81","0.002","83.108","0.002","2486.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H43 Cl N13 O2 U -","- C56 H43 Cl N13 O2 U -","- C112 H86 Cl2 N26 O4 U2 -","2","1","","Copping, Roy; Jeon, Byoungseon; Pemmaraju, C. Das; Wang, Shuao; Teat, Simon J.; Janousch, Markus; Tyliszczak, Tolek; Canning, Andrew; Grønbech-Jensen, Niels; Prendergast, David; Shuh, David K.","Toward Equatorial Planarity about Uranyl: Synthesis and Structure of Tridentate Nitrogen-Donor {UO2}(2+) Complexes.","Inorganic chemistry","2014","53","5","2506","2515","10.1021/ic4026359","","","0.7749","synchrotron","","0.0377","0.0267","","","0.0583","0.0616","","","","","","1.022","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337757","13.7287","0.0017","12.9878","0.0016","14.8038","0.0019","90","","90","","90","","2639.6","0.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H21 N7 O2 U -","- C29 H21 N7 O2 U -","- C116 H84 N28 O8 U4 -","4","0.5","","Copping, Roy; Jeon, Byoungseon; Pemmaraju, C. Das; Wang, Shuao; Teat, Simon J.; Janousch, Markus; Tyliszczak, Tolek; Canning, Andrew; Grønbech-Jensen, Niels; Prendergast, David; Shuh, David K.","Toward Equatorial Planarity about Uranyl: Synthesis and Structure of Tridentate Nitrogen-Donor {UO2}(2+) Complexes.","Inorganic chemistry","2014","53","5","2506","2515","10.1021/ic4026359","","","0.7749","synchrotron","","0.0617","0.027","","","0.0506","0.0585","","","","","","1.049","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337758","9.1355","0.0014","11.5699","0.0017","19.045","0.003","99.748","0.002","95.692","0.002","105.565","0.002","1888.9","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H50 Co0.95 O2 -","- C48 H50 Co0.9498 O2 -","- C96 H100 Co1.8996 O4 -","2","1","","Bryan, Aimee M.; Long, Gary J.; Grandjean, Fernande; Power, Philip P.","Synthesis, Structural, Spectroscopic, and Magnetic Characterization of Two-Coordinate Cobalt(II) Aryloxides with Bent or Linear Coordination.","Inorganic chemistry","2014","53","5","2692","2698","10.1021/ic403098p","","","0.71073","MoKα","","0.1148","0.0551","","","0.1017","0.1166","","","","","","0.918","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337759","10.7205","0.0007","20.2142","0.0013","11.2077","0.0007","90","","90.338","0.0009","90","","2428.7","0.3","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 Co0.93 O2 -","- C60 H74 Co0.9346 O2 -","- C120 H148 Co1.8692 O4 -","2","0.5","","Bryan, Aimee M.; Long, Gary J.; Grandjean, Fernande; Power, Philip P.","Synthesis, Structural, Spectroscopic, and Magnetic Characterization of Two-Coordinate Cobalt(II) Aryloxides with Bent or Linear Coordination.","Inorganic chemistry","2014","53","5","2692","2698","10.1021/ic403098p","","","0.71073","MoKα","","0.0448","0.0383","","","0.0902","0.0939","","","","","","1.048","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337760","10.7365","0.0008","20.2062","0.0015","11.1732","0.0009","90","","90.411","0.0011","90","","2423.9","0.3","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 Co0.85 O2 -","- C60 H74 Co0.846 O2 -","- C120 H148 Co1.692 O4 -","2","0.5","","Bryan, Aimee M.; Long, Gary J.; Grandjean, Fernande; Power, Philip P.","Synthesis, Structural, Spectroscopic, and Magnetic Characterization of Two-Coordinate Cobalt(II) Aryloxides with Bent or Linear Coordination.","Inorganic chemistry","2014","53","5","2692","2698","10.1021/ic403098p","","","0.71073","MoKα","","0.069","0.0501","","","0.1188","0.1285","","","","","","1.05","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337761","6.1876","0.0002","32.4166","0.0011","7.0025","0.0002","90","","108.353","0.001","90","","1333.12","0.07","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Co0.5 N O7 S -","- C8 H18 Co0.5 N O7 S -","- C32 H72 Co2 N4 O28 S4 -","4","1","","Kammoun, Omar; Bataille, Thierry; Lucas, Anita; Dorcet, Vincent; Marlart, Isabelle; Rekik, Walid; Na\?ïli, Houcine; Mhiri, Tahar","A Supramolecular Double Sulfate Salt with a Lamellar Type: Crystal Structure and Thermal Behavior.","Inorganic chemistry","2014","53","5","2619","2627","10.1021/ic402974k","","x-ray","0.71073","MoKα","","0.0582","0.0543","","","0.175","0.1775","","","","","","1.204","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337762","6.226","","33.095","","7.003","","90","","109.68","","90","","1358.68","","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Cu N2 O14 S2 -","- C16 H36 Cu N2 O14 S2 -","- C32 H72 Cu2 N4 O28 S4 -","2","0.5","","Kammoun, Omar; Bataille, Thierry; Lucas, Anita; Dorcet, Vincent; Marlart, Isabelle; Rekik, Walid; Na\?ïli, Houcine; Mhiri, Tahar","A Supramolecular Double Sulfate Salt with a Lamellar Type: Crystal Structure and Thermal Behavior.","Inorganic chemistry","2014","53","5","2619","2627","10.1021/ic402974k","","x-ray","0.71073","MoKα","","0.0675","0.0465","","","0.0837","0.0905","","","","","","1.175","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337763","6.2172","0.0001","32.5008","0.0007","7.0022","0.0001","90","","108.186","0.001","90","","1344.22","0.04","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Fe N2 O14 S2 -","- C16 H36 Fe N2 O14 S2 -","- C32 H72 Fe2 N4 O28 S4 -","2","0.5","","Kammoun, Omar; Bataille, Thierry; Lucas, Anita; Dorcet, Vincent; Marlart, Isabelle; Rekik, Walid; Na\?ïli, Houcine; Mhiri, Tahar","A Supramolecular Double Sulfate Salt with a Lamellar Type: Crystal Structure and Thermal Behavior.","Inorganic chemistry","2014","53","5","2619","2627","10.1021/ic402974k","","x-ray","0.71073","MoKα","","0.0336","0.0298","","","0.0828","0.0854","","","","","","1.079","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337764","6.1582","0.0001","32.4154","0.0006","6.9909","0.0001","90","","108.439","0.001","90","","1323.88","0.04","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 N2 Ni O14 S2 -","- C16 H36 N2 Ni O14 S2 -","- C32 H72 N4 Ni2 O28 S4 -","2","0.5","","Kammoun, Omar; Bataille, Thierry; Lucas, Anita; Dorcet, Vincent; Marlart, Isabelle; Rekik, Walid; Na\?ïli, Houcine; Mhiri, Tahar","A Supramolecular Double Sulfate Salt with a Lamellar Type: Crystal Structure and Thermal Behavior.","Inorganic chemistry","2014","53","5","2619","2627","10.1021/ic402974k","","x-ray","0.71073","MoKα","","0.0354","0.0289","","","0.0821","0.0972","","","","","","1.176","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337765","11.6522","0.0005","12.1177","0.0007","13.7807","0.0008","104.26","0.005","94.848","0.004","91.927","0.004","1876.12","0.18","220","0.14","220","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C44 H44 N2 O8 -","- C44 H44 N2 O8 -","- C88 H88 N4 O16 -","2","1","","Gomila, Antoine; Duval, Sylvain; Besnard, Céline; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Williams, Alan F.","Tetracarboxylate Ligands as New Chelates Supporting Copper(II) Paddlewheel-Like Structures.","Inorganic chemistry","2014","53","5","2683","2691","10.1021/ic403077q","","","1.5418","CuKα","","0.0782","0.0524","","","0.1321","0.1522","","","","","","1.038","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337766","10.9478","0.0003","15.3695","0.0003","15.1896","0.0004","90","","94.351","0.002","90","","2548.47","0.11","192","3","192","3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H60 Cl3 N5 O10 -","- C44.1 H50.9 Cl3 N3.7 O8.7 -","- C88.2 H101.8 Cl6 N7.4 O17.4 -","2","1","","Gomila, Antoine; Duval, Sylvain; Besnard, Céline; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Williams, Alan F.","Tetracarboxylate Ligands as New Chelates Supporting Copper(II) Paddlewheel-Like Structures.","Inorganic chemistry","2014","53","5","2683","2691","10.1021/ic403077q","","","1.5418","CuKα","","0.0553","0.0512","","","0.1434","0.1486","","","","","","1.055","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337767","14.2102","0.0006","17.3347","0.0009","21.6372","0.0009","95.097","0.004","102.273","0.004","106.039","0.004","4943.2","0.4","180","2","180.15","","","","","","","","","6","P -1","-P 1","2","","","","- C95 H103 Cl4 Cu4 N9 O33 -","- C95 H103 Cl4 Cu4 N9 O33 -","- C190 H206 Cl8 Cu8 N18 O66 -","2","1","","Gomila, Antoine; Duval, Sylvain; Besnard, Céline; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Williams, Alan F.","Tetracarboxylate Ligands as New Chelates Supporting Copper(II) Paddlewheel-Like Structures.","Inorganic chemistry","2014","53","5","2683","2691","10.1021/ic403077q","","","1.5418","CuKα","","0.1505","0.0981","","","0.2609","0.3101","","","","","","1.037","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337768","31.4137","0.0006","31.4137","0.0006","10.8904","0.0003","90","","90","","90","","10746.9","0.4","190","2","190.15","","","","","","","","","5","I -4","I -4","82","","","","- C203.4 H231.4 Cu8 N18.2 O45.4 -","- C203.4 H231.4 Cu8 N18.2 O45.4 -","- C406.8 H462.8 Cu16 N36.4 O90.8 -","2","0.25","","Gomila, Antoine; Duval, Sylvain; Besnard, Céline; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Williams, Alan F.","Tetracarboxylate Ligands as New Chelates Supporting Copper(II) Paddlewheel-Like Structures.","Inorganic chemistry","2014","53","5","2683","2691","10.1021/ic403077q","","","1.5418","CuKα","","0.0483","0.0433","","","0.1139","0.1199","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337769","12.86902","0.00013","18.90939","0.00014","23.3517","0.0002","90","","97.2196","0.0008","90","","5637.47","0.09","179.9","","179.9","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C116 H128 Cu4 N12 O24 -","- C116 H128 Cu4 N12 O24 -","- C232 H256 Cu8 N24 O48 -","2","0.5","","Gomila, Antoine; Duval, Sylvain; Besnard, Céline; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Williams, Alan F.","Tetracarboxylate Ligands as New Chelates Supporting Copper(II) Paddlewheel-Like Structures.","Inorganic chemistry","2014","53","5","2683","2691","10.1021/ic403077q","","","1.5418","CuKα","","0.0486","0.0383","","","0.0989","0.1074","","","","","","1.031","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337770","10.154","0.003","14.784","0.004","21.7","0.006","90","","93.489","0.004","90","","3251.5","1.6","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","holtd26","","","- C33 H49 Br Fe N2 O -","- C33 H49 Br Fe N2 O -","- C132 H196 Br4 Fe4 N8 O4 -","4","1","","Dugan, Thomas R.; Bill, Eckhard; Macleod, K. Cory; Brennessel, William W.; Holland, Patrick L.","Synthesis, Spectroscopy, and Hydrogen/Deuterium Exchange in High-Spin Iron(II) Hydride Complexes.","Inorganic chemistry","2014","53","5","2370","2380","10.1021/ic4013137","","","0.71073","MoKα","","0.0689","0.0531","","","0.1301","0.134","","","","","","1.16","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337771","23.2919","0.0009","10.4559","0.0004","17.3059","0.0007","90","","97.357","0.002","90","","4179.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Co Cu2 N10 O5 -","- C42 H42 Co Cu2 N10 O5 -","- C168 H168 Co4 Cu8 N40 O20 -","4","0.5","","Biswas, Saptarshi; Gómez-García, Carlos J; Clemente-Juan, Juan M; Benmansour, Samia; Ghosh, Ashutosh","Supramolecular 2D/3D Isomerism in a Compound Containing Heterometallic Cu(II)2Co(II) Nodes and Dicyanamide Bridges.","Inorganic chemistry","2014","53","5","2441","2449","10.1021/ic4023536","","","0.71073","MoKα","","0.0521","0.0392","","","0.1016","0.1145","","","","","","1.077","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337772","16.314","0.005","10.792","0.005","21.913","0.005","90","0.005","106.668","0.005","90","0.005","3696","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Co Cu2 N10 O4 -","- C38 H32 Co Cu2 N10 O4 -","- C152 H128 Co4 Cu8 N40 O16 -","4","1","","Biswas, Saptarshi; Gómez-García, Carlos J; Clemente-Juan, Juan M; Benmansour, Samia; Ghosh, Ashutosh","Supramolecular 2D/3D Isomerism in a Compound Containing Heterometallic Cu(II)2Co(II) Nodes and Dicyanamide Bridges.","Inorganic chemistry","2014","53","5","2441","2449","10.1021/ic4023536","","","0.71073","MoKα","","0.0628","0.0375","","","0.0812","0.0906","","","","","","1.023","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337773","11.447","0.005","11.447","0.005","24.454","0.005","90","","90","","120","","2775","1.8","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C38 H32 Co Cu2 N10 O4 -","- C38 H32 Co Cu2 N10 O4 -","- C114 H96 Co3 Cu6 N30 O12 -","3","0.5","","Biswas, Saptarshi; Gómez-García, Carlos J; Clemente-Juan, Juan M; Benmansour, Samia; Ghosh, Ashutosh","Supramolecular 2D/3D Isomerism in a Compound Containing Heterometallic Cu(II)2Co(II) Nodes and Dicyanamide Bridges.","Inorganic chemistry","2014","53","5","2441","2449","10.1021/ic4023536","","","0.71073","MoKα","","0.0614","0.0446","","","0.1026","0.1117","","","","","","1.035","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337774","22.6662","0.0016","22.6662","0.0016","7.2085","0.0005","90","","90","","120","","3207.3","0.4","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- B11 Ga4.5 H10.5 O28.5 -","- B11 Ga4.5 H10.5 O28.5 -","- B66 Ga27 H63 O171 -","6","0.666667","","Gao, Wenliang; Jing, Yan; Yang, Jia; Zhou, Zhengyang; Yang, Dingfeng; Sun, Junliang; Lin, Jianhua; Cong, Rihong; Yang, Tao","Open-Framework Gallium Borate with Boric and Metaboric Acid Molecules inside Structural Channels Showing Photocatalysis to Water Splitting.","Inorganic chemistry","2014","53","5","2364","2366","10.1021/ic403175w","","","0.71073","MoKα","","0.0946","0.0645","","","0.1193","0.1357","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337775","29.3456","0.0015","13.0477","0.0007","14.8443","0.001","90","","114.628","0.0015","90","","5166.7","0.5","293","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H15.5 Br2 Cl2 Co N10.5 O0.5 -","- C21.5 H12 Br2 Cl2 Co N10.5 O0.5 -","- C172 H96 Br16 Cl16 Co8 N84 O4 -","8","1","","Wu, Shu-Qi; Wang, Yi-Tong; Cui, Ai-Li; Kou, Hui-Zhong","Toward Higher Nuclearity: Tetranuclear Cobalt(II) Metallogrid Exhibiting Spin Crossover.","Inorganic chemistry","2014","53","5","2613","2618","10.1021/ic402971a","","","0.71073","MoKα","","0.0933","0.0534","","","0.1467","0.1974","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337776","29.4329","0.0013","12.9537","0.0007","14.6693","0.0007","90","","114.942","0.0013","90","","5071.3","0.4","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H15.5 Br2 Cl2 Co N10.5 O0.5 -","- C21.5 H12 Br2 Cl2 Co N10.5 O0.5 -","- C172 H96 Br16 Cl16 Co8 N84 O4 -","8","1","","Wu, Shu-Qi; Wang, Yi-Tong; Cui, Ai-Li; Kou, Hui-Zhong","Toward Higher Nuclearity: Tetranuclear Cobalt(II) Metallogrid Exhibiting Spin Crossover.","Inorganic chemistry","2014","53","5","2613","2618","10.1021/ic402971a","","","0.71073","MoKα","","0.0506","0.0362","","","0.0848","0.0945","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337777","8.9811","0.001","16.912","0.0017","17.1719","0.0019","90","","95.615","0.003","90","","2595.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl3 Co N10 O4 -","- C22 H18 Cl3 Co N10 O4 -","- C88 H72 Cl12 Co4 N40 O16 -","4","1","","Wu, Shu-Qi; Wang, Yi-Tong; Cui, Ai-Li; Kou, Hui-Zhong","Toward Higher Nuclearity: Tetranuclear Cobalt(II) Metallogrid Exhibiting Spin Crossover.","Inorganic chemistry","2014","53","5","2613","2618","10.1021/ic402971a","","","0.71073","MoKα","","0.0811","0.0586","","","0.1585","0.1785","","","","","","1.1","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337778","22.615","0.008","22.615","0.008","13.039","0.004","90","","90","","90","","6669","4","253","","253","2","","","","","","","","7","P 42/n m c :2","-P 4ac 2a","137","","","","- C64 H44 Br8 Cl4 Co4 N32 O16 -","- C64 H44 Br8 Cl4 Co4 N32 O16 -","- C128 H88 Br16 Cl8 Co8 N64 O32 -","2","0.125","","Wu, Shu-Qi; Wang, Yi-Tong; Cui, Ai-Li; Kou, Hui-Zhong","Toward Higher Nuclearity: Tetranuclear Cobalt(II) Metallogrid Exhibiting Spin Crossover.","Inorganic chemistry","2014","53","5","2613","2618","10.1021/ic402971a","","","0.71047","MoKα","","0.0985","0.0806","","","0.2296","0.2504","","","","","","1.124","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337779","22.639","0.003","22.639","0.003","12.961","0.003","90","","90","","90","","6643","2","153","2","153","2","","","","","","","","7","P 42/n m c :2","-P 4ac 2a","137","","","","- C74 H94 Br8 Cl4 Co4 N32 O31 -","- C64 H44 Br8 Cl4 Co4 N32 O16 -","- C128 H88 Br16 Cl8 Co8 N64 O32 -","2","0.125","","Wu, Shu-Qi; Wang, Yi-Tong; Cui, Ai-Li; Kou, Hui-Zhong","Toward Higher Nuclearity: Tetranuclear Cobalt(II) Metallogrid Exhibiting Spin Crossover.","Inorganic chemistry","2014","53","5","2613","2618","10.1021/ic402971a","","","0.71073","MoKα","","0.1164","0.0871","","","0.239","0.2623","","","","","","1.134","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337780","17.276","0.002","17.276","0.002","30.908","0.005","90","","90","","90","","9225","2","153","2","153","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C72 H96 Cl4 Co4 N32 O32 -","- C72 H64 Cl4 Co4 N32 O32 -","- C288 H256 Cl16 Co16 N128 O128 -","4","0.25","","Wu, Shu-Qi; Wang, Yi-Tong; Cui, Ai-Li; Kou, Hui-Zhong","Toward Higher Nuclearity: Tetranuclear Cobalt(II) Metallogrid Exhibiting Spin Crossover.","Inorganic chemistry","2014","53","5","2613","2618","10.1021/ic402971a","","","0.71073","MoKα","","0.0807","0.0745","","","0.1818","0.1863","","","","","","1.156","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337781","9.0531","0.0004","12.3579","0.0006","15.7312","0.0008","91.82","0.003","99.113","0.003","106.04","0.003","1664.8","0.14","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C27 H25 Cl5 N6 O3 Zn -","- C27 H25 Cl5 N6 O3 Zn -","- C54 H50 Cl10 N12 O6 Zn2 -","2","1","","Carreira-Barral, Israel; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos; de Blas, Andrés; Esteban-Gómez, David","Cooperative Anion Recognition in Copper(II) and Zinc(II) Complexes with a Ditopic Tripodal Ligand Containing a Urea Group.","Inorganic chemistry","2014","53","5","2554","2568","10.1021/ic402855r","","x-ray","0.71073","MoKα","","0.0813","0.0579","","","0.1544","0.1658","","","","","","1.095","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337782","9.2361","0.0003","12.368","0.0004","13.5847","0.0004","99.696","0.002","94.596","0.002","106.471","0.002","1453.38","0.08","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C27 H28 Cu N8 O10 -","- C27 H28 Cu N8 O10 -","- C54 H56 Cu2 N16 O20 -","2","1","","Carreira-Barral, Israel; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos; de Blas, Andrés; Esteban-Gómez, David","Cooperative Anion Recognition in Copper(II) and Zinc(II) Complexes with a Ditopic Tripodal Ligand Containing a Urea Group.","Inorganic chemistry","2014","53","5","2554","2568","10.1021/ic402855r","","x-ray","0.71073","MoKα","","0.0761","0.0442","","","0.1023","0.1194","","","","","","1.14","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337783","8.7439","0.0005","12.9521","0.0007","14.6569","0.0008","65.471","0.002","89.183","0.003","70.88","0.003","1412.43","0.14","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C26 H30 Cu N6 O10 S -","- C26 H30 Cu N6 O10 S -","- C52 H60 Cu2 N12 O20 S2 -","2","1","","Carreira-Barral, Israel; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos; de Blas, Andrés; Esteban-Gómez, David","Cooperative Anion Recognition in Copper(II) and Zinc(II) Complexes with a Ditopic Tripodal Ligand Containing a Urea Group.","Inorganic chemistry","2014","53","5","2554","2568","10.1021/ic402855r","","x-ray","0.71073","MoKα","","0.0263","0.0247","","","0.0661","0.0672","","","","","","1.059","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337784","9.4204","0.0011","26.459","0.003","14.3146","0.0018","90","","95.339","0.008","90","","3552.5","0.7","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Cu N6 O8 -","- C40 H36 Cu N6 O8 -","- C160 H144 Cu4 N24 O32 -","4","1","","Carreira-Barral, Israel; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos; de Blas, Andrés; Esteban-Gómez, David","Cooperative Anion Recognition in Copper(II) and Zinc(II) Complexes with a Ditopic Tripodal Ligand Containing a Urea Group.","Inorganic chemistry","2014","53","5","2554","2568","10.1021/ic402855r","","x-ray","0.71073","MoKα","","0.1237","0.0581","","","0.1159","0.1396","","","","","","1.033","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337785","4.626","0.003","4.686","0.003","5.894","0.005","68.22","0.05","72.01","0.05","61.02","0.04","102.47","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- B Be Li O3 -","- B Be Li O3 -","- B2 Be2 Li2 O6 -","2","1","","Wang, Shichao; Ye, Ning; Zou, Guohong","Three New Alkaline Beryllium Borates LiBeBO3, Li6Be3B4O12, and Li8Be5B6O18 in the Ternary Phase Diagrams Li2O-BeO-B2O3.","Inorganic chemistry","2014","53","5","2742","2748","10.1021/ic5000843","","","0.71073","MoKα","","0.0375","0.0311","","","0.0739","0.081","","","","","","1.067","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337786","4.6677","0.0016","9.025","0.003","11.344","0.005","105.072","0.017","101.436","0.014","103.521","0.015","431.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- B4 Be3 Li6 O12 -","- B4 Be3 Li6 O12 -","- B8 Be6 Li12 O24 -","2","1","","Wang, Shichao; Ye, Ning; Zou, Guohong","Three New Alkaline Beryllium Borates LiBeBO3, Li6Be3B4O12, and Li8Be5B6O18 in the Ternary Phase Diagrams Li2O-BeO-B2O3.","Inorganic chemistry","2014","53","5","2742","2748","10.1021/ic5000843","","","0.71073","MoKα","","0.0263","0.0244","","","0.0648","0.0661","","","","","","1.109","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337787","4.698","0.003","11.565","0.008","11.87","0.008","77.849","0.013","89.42","0.018","89.21","0.016","630.4","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- B6 Be5 Li8 O18 -","- B6 Be5 Li8 O18 -","- B12 Be10 Li16 O36 -","2","1","","Wang, Shichao; Ye, Ning; Zou, Guohong","Three New Alkaline Beryllium Borates LiBeBO3, Li6Be3B4O12, and Li8Be5B6O18 in the Ternary Phase Diagrams Li2O-BeO-B2O3.","Inorganic chemistry","2014","53","5","2742","2748","10.1021/ic5000843","","","0.71073","MoKα","","0.0711","0.0563","","","0.1637","0.1729","","","","","","1.209","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337788","8.8688","0.0011","18.125","0.002","19.124","0.002","62.151","0.002","81.553","0.002","80.656","0.002","2673.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H28 B N3 -","- C36 H28 B N3 -","- C144 H112 B4 N12 -","4","2","","Berhe, Seare A.; Rodriguez, Marco T.; Park, Eunsol; Nesterov, Vladimir N.; Pan, Hongjun; Youngblood, W. Justin","Optoelectronic Tuning of Organoborylazadipyrromethenes via Effective Electronegativity at the Metalloid Center.","Inorganic chemistry","2014","53","5","2346","2348","10.1021/ic402596u","","","0.71073","MoKα","","0.0887","0.0478","","","0.0974","0.1132","","","","","","1.002","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337789","10.0268","0.001","12.5229","0.0012","15.1688","0.0014","81.432","0.002","79.619","0.002","84.886","0.002","1848.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 B N3 Si2 -","- C42 H40 B N3 Si2 -","- C84 H80 B2 N6 Si4 -","2","1","","Berhe, Seare A.; Rodriguez, Marco T.; Park, Eunsol; Nesterov, Vladimir N.; Pan, Hongjun; Youngblood, W. Justin","Optoelectronic Tuning of Organoborylazadipyrromethenes via Effective Electronegativity at the Metalloid Center.","Inorganic chemistry","2014","53","5","2346","2348","10.1021/ic402596u","","","0.71073","MoKα","","0.0446","0.0361","","","0.0873","0.0931","","","","","","1.032","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337790","13.6443","0.0009","13.6443","0.0009","15.0214","0.0017","90","","90","","90","","2796.5","0.4","301","","301","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- B7 Ba12 F4 Na O21 -","- B7 Ba12 F4 Na O21 -","- B28 Ba48 F16 Na4 O84 -","4","0.125","","Zhao, Jing; Li, R. K.","Two New Barium Borate Fluorides ABa12(BO3)7F4 (A = Li and Na).","Inorganic chemistry","2014","53","5","2501","2505","10.1021/ic4025525","","","0.71075","MoKα","","0.0302","0.0295","","","0.0604","0.0607","","","","","","1.182","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337791","13.5709","0.0006","13.5709","0.0006","14.9908","0.0013","90","","90","","90","","2760.8","0.3","301","","301","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- B7 Ba12 F4 Li O21 -","- B7 Ba12 F4 Li O21 -","- B28 Ba48 F16 Li4 O84 -","4","0.125","","Zhao, Jing; Li, R. K.","Two New Barium Borate Fluorides ABa12(BO3)7F4 (A = Li and Na).","Inorganic chemistry","2014","53","5","2501","2505","10.1021/ic4025525","","","0.71073","MoKα","","0.0365","0.0346","","","0.0764","0.0783","","","","","","1.32","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337792","28.528","0.0004","11.988","0.0002","31.504","0.0006","90","","99.347","0.001","90","","10631.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H64 Cl2 Cu2 N4 O4 -","- C55 H64 Cl2 Cu2 N4 O4 -","- C440 H512 Cl16 Cu16 N32 O32 -","8","2","","Collins, Lee R.; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Copper diamidocarbene complexes: characterization of monomeric to tetrameric species.","Inorganic chemistry","2014","53","5","2699","2707","10.1021/ic4031014","","","0.71073","MoKα","","0.1587","0.0625","","","0.114","0.1467","","","","","","1.028","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337793","30.436","0.0005","9.233","0.0002","22.118","0.0006","90","","127.27","0.001","90","","4946.2","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Cl1.5 Cu1.5 N2 O2 -","- C24 H28 Cl1.5 Cu1.5 N2 O2 -","- C192 H224 Cl12 Cu12 N16 O16 -","8","1","","Collins, Lee R.; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Copper diamidocarbene complexes: characterization of monomeric to tetrameric species.","Inorganic chemistry","2014","53","5","2699","2707","10.1021/ic4031014","","","0.71073","MoKα","","0.043","0.031","","","0.0758","0.0828","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337794","8.154","0.0002","12.401","0.0004","14.894","0.0005","68.995","0.001","88.842","0.002","84.932","0.002","1400.37","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 Cu2 N2 O2.5 -","- C24 H28 Cl2 Cu2 N2 O2 -","- C48 H56 Cl4 Cu4 N4 O4 -","2","1","","Collins, Lee R.; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Copper diamidocarbene complexes: characterization of monomeric to tetrameric species.","Inorganic chemistry","2014","53","5","2699","2707","10.1021/ic4031014","","","0.71073","MoKα","","0.05","0.0378","","","0.1004","0.1051","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337795","13.322","0.0002","17.076","0.0002","18.554","0.0003","113.943","0.001","104.89","0.001","91.572","0.001","3686.36","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H94 Cl3 Cu3 N6 O7 -","- C76 H94 Cl3 Cu3 N6 O7 -","- C152 H188 Cl6 Cu6 N12 O14 -","2","1","","Collins, Lee R.; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Copper diamidocarbene complexes: characterization of monomeric to tetrameric species.","Inorganic chemistry","2014","53","5","2699","2707","10.1021/ic4031014","","","0.71073","MoKα","","0.0761","0.0421","","","0.0846","0.0971","","","","","","1.025","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337796","12.243","0.0001","19.761","0.0002","23.846","0.0003","90","","104.57","0.001","90","","5583.63","0.1","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50.55 H61.1 Cl5.1 Cu F6 N4 O4 P -","- C50.55 H61.1 Cl5.1 Cu F6 N4 O4 P -","- C202.2 H244.4 Cl20.4 Cu4 F24 N16 O16 P4 -","4","1","","Collins, Lee R.; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Copper diamidocarbene complexes: characterization of monomeric to tetrameric species.","Inorganic chemistry","2014","53","5","2699","2707","10.1021/ic4031014","","","0.71073","MoKα","","0.0599","0.0446","","","0.1058","0.1133","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337797","12.9524","0.0011","18.3368","0.0014","21.6831","0.0017","67.014","0.003","73.618","0.003","77.208","0.003","4512.2","0.6","150","2","150","2","","","","","","","synthesis as described","10","P -1","-P 1","2","","","","- C97 H74 Cl2 Dy F9 N2 O6 P4 Ru S3 -","- C97 H74 Cl2 Dy F9 N2 O6 P4 Ru S3 -","- C194 H148 Cl4 Dy2 F18 N4 O12 P8 Ru2 S6 -","2","1","","Norel, Lucie; Feng, Min; Bernot, Kevin; Roisnel, Thierry; Guizouarn, Thierry; Costuas, Karine; Rigaut, Stéphane","Redox modulation of magnetic slow relaxation in a 4f-based single-molecule magnet with a 4d carbon-rich ligand.","Inorganic chemistry","2014","53","5","2361","2363","10.1021/ic403081y","","x-ray","0.71073","MoKα","","0.0731","0.0467","","","0.0964","0.1045","","","","","","1.046","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337798","31.6945","0.0007","18.9206","0.0005","23.8228","0.0005","90","","109.815","0.001","90","","13440.2","0.5","123","2","123","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C116 H112 Ag2 B2 F8 N8 O16 -","- C116 H112 Ag2 B2 F8 N8 O16 -","- C464 H448 Ag8 B8 F32 N32 O64 -","4","1","","Xi, Xiaobing; Liu, Yan; Cui, Yong","Homochiral silver-based coordination polymers exhibiting temperature-dependent photoluminescence behavior.","Inorganic chemistry","2014","53","5","2352","2354","10.1021/ic4027865","","","1.54178","CuKα","","0.0868","0.073","","","0.1995","0.2132","","","","","","1.042","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337799","51.6398","0.0014","13.6915","0.0004","17.593","0.0005","90","","102.828","0.001","90","","12128.3","0.6","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C106 H112 Ag2 Cl2 N9 O23 -","- C106 H112 Ag2 Cl2 N9 O23 -","- C424 H448 Ag8 Cl8 N36 O92 -","4","1","","Xi, Xiaobing; Liu, Yan; Cui, Yong","Homochiral silver-based coordination polymers exhibiting temperature-dependent photoluminescence behavior.","Inorganic chemistry","2014","53","5","2352","2354","10.1021/ic4027865","","","1.54178","CuKα","","0.0783","0.0756","","","0.1996","0.204","","","","","","1.038","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337800","18.7958","0.0003","18.7958","0.0003","29.6903","0.0008","90","","90","","120","","9083.8","0.3","123","2","123","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H25.5 Ag0.5 N4 O4.5 -","- C29 H25.5 Ag0.5 N4 O4.5 -","- C348 H306 Ag6 N48 O54 -","12","1","","Xi, Xiaobing; Liu, Yan; Cui, Yong","Homochiral silver-based coordination polymers exhibiting temperature-dependent photoluminescence behavior.","Inorganic chemistry","2014","53","5","2352","2354","10.1021/ic4027865","","","1.54178","CuKα","","0.0681","0.0666","","","0.1817","0.1838","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337801","13.0767","0.0009","14.8224","0.0011","17.5256","0.0012","85.539","0.002","81.705","0.002","69.761","0.002","3152.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H62 B1.5 F2 I N2 S -","- C71 H62 B3 F2 I N2 S -","- C142 H124 B6 F4 I2 N4 S2 -","2","1","","Sarkar, Samir Kumar; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Going beyond Red with a Tri- and Tetracoordinate Boron Conjugate: Intriguing Near-IR Optical Properties and Applications in Anion Sensing.","Inorganic chemistry","2014","53","5","2343","2345","10.1021/ic402441w","","","0.71073","MoKα","","0.1297","0.0752","","","0.2201","0.2496","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337802","41.643","0.013","14.469","0.005","17.265","0.006","90","","113.899","0.007","90","","9511","6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","H4FcTPP","","","- C100 H66 Fe N8 O4 -","- C100 H66 Fe N8 O4 -","- C400 H264 Fe4 N32 O16 -","4","0.5","","Brahma, Sanfaori; Ikbal, Sk Asif; Dhamija, Avinash; Rath, Sankar Prasad","Highly Enhanced Bisignate Circular Dichroism of Ferrocene-Bridged Zn(II) Bisporphyrin Tweezer with Extended Chiral Substrates due to Well-Matched Host-Guest System.","Inorganic chemistry","2014","53","5","2381","2395","10.1021/ic401395d","","","0.71073","MoKα","","0.1648","0.089","","","0.2105","0.247","","","","","","0.907","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337803","11.224","0.0003","11.24","0.0004","11.498","0.0004","84.705","0.001","83.654","0.001","65.825","0.001","1313.47","0.07","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H30 Dy N7 O12 -","- C19 H30 Dy N7 O12 -","- C38 H60 Dy2 N14 O24 -","2","1","","Campbell, Victoria E.; Bolvin, Hélène; Rivière, Eric; Guillot, Regis; Wernsdorfer, Wolfgang; Mallah, Talal","Structural and Electronic Dependence of the Single-Molecule-Magnet Behavior of Dysprosium(III) Complexes.","Inorganic chemistry","2014","53","5","2598","2605","10.1021/ic402950j","","x-ray","0.71073","MoKα","","0.027","0.0236","","","0.0535","0.0556","","","","","","1.138","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337804","7.893","0.004","11.861","0.005","13.99","0.005","92.479","0.005","95.807","0.005","94.319","0.005","1297.6","1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Dy N7 O12 -","- C19 H26 Dy N7 O12 -","- C38 H52 Dy2 N14 O24 -","2","1","","Campbell, Victoria E.; Bolvin, Hélène; Rivière, Eric; Guillot, Regis; Wernsdorfer, Wolfgang; Mallah, Talal","Structural and Electronic Dependence of the Single-Molecule-Magnet Behavior of Dysprosium(III) Complexes.","Inorganic chemistry","2014","53","5","2598","2605","10.1021/ic402950j","","x-ray","0.71069","MoKα","","0.0446","0.0385","","","0.1022","0.1089","","","","","","1.098","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337805","12.94805","0.00015","12.83389","0.00014","14.34358","0.00015","90","","91.0548","0.001","90","","2383.12","0.05","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Au N P S2 -","- C25 H25 Au N P S2 -","- C100 H100 Au4 N4 P4 S8 -","4","1","","Naeem, Saira; Serapian, Stefano A.; Toscani, Anita; White, Andrew J. P.; Hogarth, Graeme; Wilton-Ely, James D E T","Ring-closing metathesis and nanoparticle formation based on diallyldithiocarbamate complexes of gold(i): synthetic, structural, and computational studies.","Inorganic chemistry","2014","53","5","2404","2416","10.1021/ic402048a","","","0.71073","MoKα","","0.0327","0.018","","","0.032","0.0328","","","","","","0.917","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337806","18.443","0.0002","18.443","0.0002","22.9755","0.0003","90","","90","","90","","7814.98","0.16","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H20 Au2 N2 S4 -","- C14 H20 Au2 N2 S4 -","- C224 H320 Au32 N32 S64 -","16","1","","Naeem, Saira; Serapian, Stefano A.; Toscani, Anita; White, Andrew J. P.; Hogarth, Graeme; Wilton-Ely, James D E T","Ring-closing metathesis and nanoparticle formation based on diallyldithiocarbamate complexes of gold(i): synthetic, structural, and computational studies.","Inorganic chemistry","2014","53","5","2404","2416","10.1021/ic402048a","","","0.71073","MoKα","","0.0375","0.0242","","","0.0463","0.0494","","","","","","1.079","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337807","21.028","0.006","10.415","0.003","13.294","0.004","90","","90","","90","","2911.5","1.5","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- B5 Cs O8 -","- B5 Cs O8 -","- B80 Cs16 O128 -","16","2","","Jiao, Anqing; Yu, Hongwei; Wu, Hongping; Pan, Shilie; Zhang, Xingwen","A New Cesium Pentaborate with New B10O19 Building Blocks.","Inorganic chemistry","2014","53","5","2358","2360","10.1021/ic403070b","","","0.71073","MoKα","","0.0306","0.0211","","","0.0496","0.0558","","","","","","1.042","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337808","12.313","0.003","16.612","0.003","18.099","0.004","83.78","0.03","78.86","0.03","83.49","0.03","3594.6","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C86.27 H64.54 Dy3 N9 O10.76 -","- C86.271 H64.542 Dy3 N9 O10.757 -","- C172.542 H129.084 Dy6 N18 O21.514 -","2","1","","Chilton, Nicholas F.; Deacon, Glen B.; Gazukin, Olga; Junk, Peter C.; Kersting, Berthold; Langley, Stuart K.; Moubaraki, Boujemaa; Murray, Keith S.; Schleife, Frederik; Shome, Mahasish; Turner, David R.; Walker, Julia A.","Structure, magnetic behavior, and anisotropy of homoleptic trinuclear lanthanoid 8-quinolinolate complexes.","Inorganic chemistry","2014","53","5","2528","2534","10.1021/ic402672m","","","0.7107","synchrotron","","0.0394","0.0349","","","0.0894","0.0952","","","","","","1.078","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337809","29.7225","0.0015","26.7796","0.0014","20.8404","0.0011","90","","125.972","0.002","90","","13424.8","1.3","180","2","180","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H72.5 Cl Mn3 N7.5 O13 -","- C67 H72.5 Cl Mn3 N7.5 O13 -","- C536 H580 Cl8 Mn24 N60 O104 -","8","1","","Ledesma, Gabriela N.; Anxolabéhère-Mallart, Elodie; Rivière, Eric; Mallet-Ladeira, Sonia; Hureau, Christelle; Signorella, Sandra R.","Trinuclear Manganese Complexes of Unsymmetrical Polypodal Diamino N3O3 Ligands with an Unusual [Mn3(μ-OR)4](5+) Triangular Core: Synthesis, Characterization, and Catalase Activity.","Inorganic chemistry","2014","53","5","2545","2553","10.1021/ic402843y","","x-ray","0.71073","MoKα","","0.1509","0.069","","","0.1787","0.2253","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337810","12.172","0.002","16.5748","0.001","26.694","0.003","90","","90","","90","","5385.5","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H60 La N3 O21 P6 -","- C36 H60 La N3 O21 P6 -","- C144 H240 La4 N12 O84 P24 -","4","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0488","0.0335","","","0.0695","0.0747","","","","","","1.066","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337811","12.1705","0.0008","16.5077","0.0012","26.6601","0.0017","90","","90","","90","","5356.2","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H60 N3 O21 P6 Pr -","- C36 H60 N3 O21 P6 Pr -","- C144 H240 N12 O84 P24 Pr4 -","4","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0295","0.0264","","","0.0653","0.0663","","","","","","1.019","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337812","12.1304","0.0008","16.5237","0.001","26.6343","0.0018","90","","90","","90","","5338.6","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H60 N3 Nd O21 P6 -","- C36 H60 N3 Nd O21 P6 -","- C144 H240 N12 Nd4 O84 P24 -","4","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0352","0.0321","","","0.0797","0.0809","","","","","","1.013","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337813","11.1318","0.0007","11.8742","0.0009","22.8997","0.0014","90","","91.818","0.008","90","","3025.4","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H60 N3 O27 P6 Sm -","- C36 H60 N3 O27 P6 Sm -","- C72 H120 N6 O54 P12 Sm2 -","2","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0377","0.033","","","0.082","0.084","","","","","","0.976","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337814","11.1476","0.0008","11.8848","0.0008","22.9395","0.0017","90","","91.81","0.009","90","","3037.7","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H60 Eu N3 O27 P6 -","- C36 H60 Eu N3 O27 P6 -","- C72 H120 Eu2 N6 O54 P12 -","2","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0609","0.0387","","","0.0868","0.0976","","","","","","0.927","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337815","11.144","0.0004","11.8806","0.0009","22.934","0.002","90","","91.716","0.006","90","","3035","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H60 Gd N3 O27 P6 -","- C36 H60 Gd N3 O27 P6 -","- C72 H120 Gd2 N6 O54 P12 -","2","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0649","0.0397","","","0.0618","0.0671","","","","","","0.999","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337816","11.1296","0.0009","11.8385","0.0007","22.875","0.002","90","","91.622","0.011","90","","3012.8","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H60 N3 O27 P6 Tb -","- C36 H60 N3 O27 P6 Tb -","- C72 H120 N6 O54 P12 Tb2 -","2","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0579","0.0361","","","0.0514","0.0554","","","","","","0.844","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337817","11.13","0.0008","11.851","0.001","22.8564","0.0018","90","","91.699","0.009","90","","3013.5","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H60 Dy N3 O27 P6 -","- C36 H60 Dy N3 O27 P6 -","- C72 H120 Dy2 N6 O54 P12 -","2","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0424","0.0348","","","0.0742","0.076","","","","","","0.996","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337818","11.1386","0.0008","11.8158","0.0009","22.8715","0.0017","90","","91.579","0.009","90","","3009","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H60 Ho N3 O27 P6 -","- C36 H60 Ho N3 O27 P6 -","- C72 H120 Ho2 N6 O54 P12 -","2","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0334","0.0282","","","0.0594","0.0602","","","","","","1.173","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337819","11.1375","0.0008","11.785","0.0008","22.8365","0.0017","90","","91.817","0.009","90","","2995.9","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H60 Er N3 O27 P6 -","- C36 H60 Er N3 O27 P6 -","- C72 H120 Er2 N6 O54 P12 -","2","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.1437","0.0487","","","0.0963","0.1299","","","","","","0.761","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4337820","29.907","0.008","7.4667","0.0017","20.066","0.005","90","","100.851","0.004","90","","4400.8","1.9","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Cl N3 O P Pt -","- C24 H19 Cl N3 O P Pt -","- C192 H152 Cl8 N24 O8 P8 Pt8 -","8","1","","Kobayashi, Atsushi; Yamamoto, Daisuke; Horiki, Hiroyuki; Sawaguchi, Kana; Matsumoto, Takeshi; Nakajima, Kiyohiko; Chang, Ho-Chol; Kato, Masako","Photoinduced Dimerization Reaction Coupled with Oxygenation of a Platinum(II)-Hydrazone Complex.","Inorganic chemistry","2014","53","5","2573","2581","10.1021/ic402879g","","","0.71075","MoKα","","","0.0397","","","","0.1212","","","","","","1.053","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337821","15.241","0.005","11.609","0.004","25.365","0.008","90","","98.718","0.003","90","","4436","3","130","","130","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Cl2 N6 O P2 Pt2 -","- C48 H36 Cl2 N6 O P2 Pt2 -","- C192 H144 Cl8 N24 O4 P8 Pt8 -","4","1","","Kobayashi, Atsushi; Yamamoto, Daisuke; Horiki, Hiroyuki; Sawaguchi, Kana; Matsumoto, Takeshi; Nakajima, Kiyohiko; Chang, Ho-Chol; Kato, Masako","Photoinduced Dimerization Reaction Coupled with Oxygenation of a Platinum(II)-Hydrazone Complex.","Inorganic chemistry","2014","53","5","2573","2581","10.1021/ic402879g","","","0.689","Synchrotron","","","0.0676","","","","0.2046","","","","","","1.082","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337822","19.328","0.002","15.9729","0.0009","17.736","0.002","90","","115.605","0.01","90","","4937.8","0.9","100","2","100","2","","","","","","","dichloromethane, hexane","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 Cl2 N4 O2 P2 Ru -","- C52 H44 Cl2 N4 O2 P2 Ru -","- C208 H176 Cl8 N16 O8 P8 Ru4 -","4","1","","Patra, Sarat Chandra; Weyhermüller, Thomas; Ghosh, Prasanta","Ruthenium, Rhodium, Osmium, and Iridium Complexes of Osazones (Osazones = Bis-Arylhydrazones of Glyoxal): Radical versus Nonradical States.","Inorganic chemistry","2014","53","5","2427","2440","10.1021/ic4022432","","","0.71073","MoKα","","0.0306","0.0252","","","0.0643","0.0677","","","","","","1.085","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337823","19.182","0.003","16.005","0.001","17.914","0.003","90","","113.708","0.012","90","","5035.6","1.3","100","2","100","2","","","","","","","dichloromethane, hexane","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 Br2 N4 O2 Os P2 -","- C52 H44 Br2 N4 O2 Os P2 -","- C208 H176 Br8 N16 O8 Os4 P8 -","4","1","","Patra, Sarat Chandra; Weyhermüller, Thomas; Ghosh, Prasanta","Ruthenium, Rhodium, Osmium, and Iridium Complexes of Osazones (Osazones = Bis-Arylhydrazones of Glyoxal): Radical versus Nonradical States.","Inorganic chemistry","2014","53","5","2427","2440","10.1021/ic4022432","","","0.71073","MoKα","","0.0281","0.0245","","","0.0571","0.0586","","","","","","1.131","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337824","11.4399","0.0015","14.218","0.002","18.786","0.004","102.24","0.003","100.287","0.003","113.189","0.002","2625.5","0.8","100","2","100","2","","","","","","","dichlormethane, hexane","8","P -1","-P 1","2","","","","- C54 H47 Cl3 F6 N4 O2 P3 Rh -","- C54 H47 Cl3 F6 N4 O2 P3 Rh -","- C108 H94 Cl6 F12 N8 O4 P6 Rh2 -","2","1","","Patra, Sarat Chandra; Weyhermüller, Thomas; Ghosh, Prasanta","Ruthenium, Rhodium, Osmium, and Iridium Complexes of Osazones (Osazones = Bis-Arylhydrazones of Glyoxal): Radical versus Nonradical States.","Inorganic chemistry","2014","53","5","2427","2440","10.1021/ic4022432","","","0.71073","MoKα","","0.0477","0.0404","","","0.1081","0.1144","","","","","","1.071","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337825","18.0489","0.0012","22.812","0.002","24.131","0.003","90","","90","","90","","9935.5","1.6","100","2","100","2","","","","","","","dichlormethane, hexane","7","P b c a","-P 2ac 2ab","61","","","","- C53 H48 Cl2 N6 O2 P2 Ru -","- C53 H48 Cl2 N6 O2 P2 Ru -","- C424 H384 Cl16 N48 O16 P16 Ru8 -","8","1","","Patra, Sarat Chandra; Weyhermüller, Thomas; Ghosh, Prasanta","Ruthenium, Rhodium, Osmium, and Iridium Complexes of Osazones (Osazones = Bis-Arylhydrazones of Glyoxal): Radical versus Nonradical States.","Inorganic chemistry","2014","53","5","2427","2440","10.1021/ic4022432","","","0.71073","MoKα","","0.0623","0.0385","","","0.0818","0.0935","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337826","7.1596","0.0004","4.09","0.0002","15.8309","0.0006","90","","90","","90","","463.57","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ce Ni0.14 Ru0.87 -","- Al Ce Ni0.135 Ru0.865 -","- Al8 Ce8 Ni1.08 Ru6.92 -","8","1","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.0223","0.0125","","","0.0158","0.0164","","","","","","0.793","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337827","7.1231","0.0004","4.1106","0.0002","15.7987","0.0008","90","","90","","90","","462.59","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ce Ni0.2 Ru0.8 -","- Al Ce Ni0.2005 Ru0.7995 -","- Al8 Ce8 Ni1.604 Ru6.396 -","8","1","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.0216","0.0134","","","0.017","0.0175","","","","","","0.806","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337828","7.0835","0.0003","4.1384","0.0002","15.7571","0.0008","90","","90","","90","","461.91","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ce Ni0.3 Ru0.7 -","- Al Ce Ni0.303 Ru0.697 -","- Al8 Ce8 Ni2.424 Ru5.576 -","8","1","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.0366","0.0265","","","0.0507","0.0521","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337829","7.0452","0.0002","4.1719","0.0001","15.7158","0.0006","90","","90","","90","","461.92","0.02","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ce Ni0.49 Ru0.51 -","- Al Ce Ni0.487 Ru0.513 -","- Al8 Ce8 Ni3.896 Ru4.104 -","8","1","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.021","0.0168","","","0.036","0.0369","","","","","","1.161","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337830","7.0288","0.0002","4.1757","0.0001","15.7004","0.0004","90","","90","","90","","460.81","0.02","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ce Ni0.56 Ru0.44 -","- Al Ce Ni0.552 Ru0.448 -","- Al8 Ce8 Ni4.416 Ru3.584 -","8","1","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.0202","0.0188","","","0.0389","0.0394","","","","","","1.072","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337831","7.0174","0.0005","4.18","0.0002","15.6816","0.0008","90","","90","","90","","459.98","0.05","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ce Ni0.63 Ru0.38 -","- Al Ce Ni0.6265 Ru0.3735 -","- Al8 Ce8 Ni5.012 Ru2.988 -","8","1","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.0467","0.0236","","","0.034","0.0358","","","","","","0.853","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337832","7.0006","0.0005","4.1854","0.0002","15.6624","0.001","90","","90","","90","","458.91","0.05","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ce Ni0.8 Ru0.2 -","- Al Ce Ni0.795 Ru0.205 -","- Al8 Ce8 Ni6.36 Ru1.64 -","8","1","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.0486","0.0201","","","0.0201","0.0219","","","","","","0.658","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337833","6.9973","0.0003","4.1826","0.0002","15.6642","0.0007","90","","90","","90","","458.44","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al Ce Ni0.8 Ru0.2 -","- Al Ce Ni0.797 Ru0.203 -","- Al8 Ce8 Ni6.376 Ru1.624 -","8","1","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.021","0.0126","","","0.0188","0.0194","","","","","","0.887","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337834","6.9805","0.0003","6.9805","0.0003","4.0231","0.0002","90","","90","","120","","169.771","0.013","293","2","293","2","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- Al Ce Ni0.93 Ru0.07 -","- Al Ce Ni0.928667 Ru0.0713333 -","- Al3 Ce3 Ni2.786 Ru0.214 -","3","0.25","","Niehaus, Oliver; Rodewald, Ute Ch; Abdala, Paula M.; Touzani, Rachid St; Fokwa, Boniface P. T.; Janka, Oliver","Synthesis and Theoretical Investigations of the Solid Solution CeRu1-xNixAl (x = 0.1-0.95) Showing Cerium Valence Fluctuations.","Inorganic chemistry","2014","53","5","2471","2480","10.1021/ic402414f","","","0.71073","MoKα","","0.0121","0.0121","","","0.0305","0.0305","","","","","","1.275","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337835","30.2491","0.0005","3.72717","0.00005","12.8518","0.0003","90","","110.196","0.0016","90","","1359.88","0.05","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H7 Mo3 N3 O9 -","- C8 H7 Mo3 N3 O9 -","- C32 H28 Mo12 N12 O36 -","4","0.5","","Amarante, Tatiana R.; Neves, Patrícia; Gomes, Ana C.; Nolasco, Mariela M.; Ribeiro-Claro, Paulo; Coelho, Ana C.; Valente, Anabela A.; Paz, Filipe A Almeida; Smeets, Stef; McCusker, Lynne B.; Pillinger, Martyn; Gonçalves, Isabel S","Synthesis, Structural Elucidation, and Catalytic Properties in Olefin Epoxidation of the Polymeric Hybrid Material [Mo3O9(2-[3(5)-Pyrazolyl]pyridine)]n.","Inorganic chemistry","2014","53","5","2652","2665","10.1021/ic403033j","powder diffraction","","0.826611","Synchrotron","","7.9","","","","","","","","4.05","","","","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337836","15.1933","0.0014","8.43","0.0008","15.4515","0.0013","90","","90","","90","","1979","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H7 Mo N3 O5 -","- C8 H7 Mo N3 O5 -","- C64 H56 Mo8 N24 O40 -","8","1","","Amarante, Tatiana R.; Neves, Patrícia; Gomes, Ana C.; Nolasco, Mariela M.; Ribeiro-Claro, Paulo; Coelho, Ana C.; Valente, Anabela A.; Paz, Filipe A Almeida; Smeets, Stef; McCusker, Lynne B.; Pillinger, Martyn; Gonçalves, Isabel S","Synthesis, Structural Elucidation, and Catalytic Properties in Olefin Epoxidation of the Polymeric Hybrid Material [Mo3O9(2-[3(5)-Pyrazolyl]pyridine)]n.","Inorganic chemistry","2014","53","5","2652","2665","10.1021/ic403033j","","","0.71073","MoKα","","0.07","0.046","","","0.0697","0.0751","","","","","","1.092","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337837","7.1856","0.0003","8.2553","0.0003","16.9444","0.0006","89.786","0.002","83.593","0.002","84.279","0.002","993.85","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl4 Mo N6 -","- C16 H16 Cl4 Mo N6 -","- C32 H32 Cl8 Mo2 N12 -","2","1","","Amarante, Tatiana R.; Neves, Patrícia; Gomes, Ana C.; Nolasco, Mariela M.; Ribeiro-Claro, Paulo; Coelho, Ana C.; Valente, Anabela A.; Paz, Filipe A Almeida; Smeets, Stef; McCusker, Lynne B.; Pillinger, Martyn; Gonçalves, Isabel S","Synthesis, Structural Elucidation, and Catalytic Properties in Olefin Epoxidation of the Polymeric Hybrid Material [Mo3O9(2-[3(5)-Pyrazolyl]pyridine)]n.","Inorganic chemistry","2014","53","5","2652","2665","10.1021/ic403033j","","","0.71073","MoKα","","0.0776","0.0558","","","0.1764","0.1914","","","","","","1.05","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337838","18.3243","0.0011","13.0863","0.0008","10.6892","0.0005","90","","105.088","0.005","90","","2474.9","0.2","120","2","120","2","","","","","","","synthesis as described","7","C 1 2/m 1","-C 2y","12","","","","- C8 H14 Au0.5 F3 N2 O0.75 P0.5 -","- C8 H14 Au0.5 F3 N2 O0.75 P0.5 -","- C64 H112 Au4 F24 N16 O6 P4 -","8","1","","Messori, Luigi; Marchetti, Lorella; Massai, Lara; Scaletti, Federica; Guerri, Annalisa; Landini, Ida; Nobili, Stefania; Perrone, Gabriele; Mini, Enrico; Leoni, Piero; Pasquali, Marco; Gabbiani, Chiara","Chemistry and biology of two novel gold(i) carbene complexes as prospective anticancer agents.","Inorganic chemistry","2014","53","5","2396","2403","10.1021/ic401731a","","x-ray","0.71073","MoKα","","0.08","0.0562","","","0.1198","0.148","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337839","8.2009","0.0006","10.6215","0.0007","12.1355","0.0009","90","","90","","90","","1057.07","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Au Cl N2 -","- C8 H14 Au Cl N2 -","- C32 H56 Au4 Cl4 N8 -","4","1","","Messori, Luigi; Marchetti, Lorella; Massai, Lara; Scaletti, Federica; Guerri, Annalisa; Landini, Ida; Nobili, Stefania; Perrone, Gabriele; Mini, Enrico; Leoni, Piero; Pasquali, Marco; Gabbiani, Chiara","Chemistry and biology of two novel gold(i) carbene complexes as prospective anticancer agents.","Inorganic chemistry","2014","53","5","2396","2403","10.1021/ic401731a","","x-ray","0.71073","MoKα","","0.0776","0.0709","","","0.1793","0.1863","","","","","","1.105","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337840","14.9059","0.001","14.9059","0.001","44.895","0.003","90","","90","","120","","8638.6","1","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- P8 Rb6 S32 Sb2 U3 -","- P8 Rb6 S32 Sb2 U3 -","- P48 Rb36 S192 Sb12 U18 -","6","0.166667","","Babo, Jean-Marie; Diefenbach, Kariem; Albrecht-Schmitt, Thomas E","A6U3Sb2P8S32 (A = Rb, Cs): Quinary Uranium(IV) Thiophosphates Containing the [Sb(PS4)3](6-) Anion.","Inorganic chemistry","2014","53","7","3540","","10.1021/ic403044x","","","0.71073","MoKα","","0.0369","0.0304","","","0.0815","0.0833","","","","","","1.082","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337841","14.9846","0.0013","14.9846","0.0013","46.139","0.004","90","","90","","120","","8972","1.3","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Cs6 P8 S32 Sb2 U3 -","- Cs6 P8 S32 Sb2 U3 -","- Cs36 P48 S192 Sb12 U18 -","6","0.166667","","Babo, Jean-Marie; Diefenbach, Kariem; Albrecht-Schmitt, Thomas E","A6U3Sb2P8S32 (A = Rb, Cs): Quinary Uranium(IV) Thiophosphates Containing the [Sb(PS4)3](6-) Anion.","Inorganic chemistry","2014","53","7","3540","","10.1021/ic403044x","","","0.71073","MoKα","","0.0405","0.0333","","","0.0933","0.095","","","","","","1.344","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337842","10.2654","0.0001","14.1815","0.0002","12.6412","0.0008","90","","103.818","0.007","90","","1787.03","0.13","85","","85","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl Cu N4 O3 -","- C18 H18 Cl Cu N4 O3 -","- C72 H72 Cl4 Cu4 N16 O12 -","4","1","","Moore, Cameron M.; Quist, David A.; Kampf, Jeff W.; Szymczak, Nathaniel K.","A 3-Fold-Symmetric Ligand Based on 2-Hydroxypyridine: Regulation of Ligand Binding by Hydrogen Bonding.","Inorganic chemistry","2014","53","7","3278","","10.1021/ic5003594","","","1.54187","CuKα","","0.0371","0.0371","","","0.0968","0.0968","","","","","","1.25","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337843","8.884","0.0002","8.9889","0.0002","11.4219","0.0008","90.267","0.006","104.955","0.007","101.462","0.007","862.15","0.08","85","","85","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H40 N8 O7 -","- C37 H40 N8 O7 -","- C37 H40 N8 O7 -","1","0.5","","Moore, Cameron M.; Quist, David A.; Kampf, Jeff W.; Szymczak, Nathaniel K.","A 3-Fold-Symmetric Ligand Based on 2-Hydroxypyridine: Regulation of Ligand Binding by Hydrogen Bonding.","Inorganic chemistry","2014","53","7","3278","","10.1021/ic5003594","","","1.54178","CuKα","","0.0527","0.0524","","","0.1272","0.1276","","","","","","1.181","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337844","15.9813","0.0003","9.9195","0.0002","27.99","0.002","90","","93.677","0.007","90","","4428","0.3","85","2","85","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl Cu F6 N4 O3 P -","- C18 H18 Cl Cu F6 N4 O3 P -","- C144 H144 Cl8 Cu8 F48 N32 O24 P8 -","8","2","","Moore, Cameron M.; Quist, David A.; Kampf, Jeff W.; Szymczak, Nathaniel K.","A 3-Fold-Symmetric Ligand Based on 2-Hydroxypyridine: Regulation of Ligand Binding by Hydrogen Bonding.","Inorganic chemistry","2014","53","7","3278","","10.1021/ic5003594","","","1.54178","CuKα","","0.0829","0.0791","","","0.2167","0.2207","","","","","","1.041","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337845","7.497","0.003","12.972","0.005","14.009","0.006","113.442","0.006","93.191","0.007","93.698","0.007","1242.4","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Li4 N4 O22 S8 -","- C44 H40 Li4 N4 O22 S8 -","- C44 H40 Li4 N4 O22 S8 -","1","0.5","","Huang, Yu-De; Huo, Peng; Shao, Ming-Yan; Yin, Jing-Xue; Shen, Wei-Chun; Zhu, Qin-Yu; Dai, Jie","A New Type of Charge-Transfer Salts Based on Tetrathiafulvalene-Tetracarboxylate Coordination Polymers and Methyl Viologen.","Inorganic chemistry","2014","53","7","3480","","10.1021/ic402926n","","","0.71073","MoKα","","0.1498","0.0992","","","0.1928","0.2165","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337846","14.95","0.008","6.961","0.004","17.373","0.01","90","","97.937","0.012","90","","1790.6","1.7","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 N2 Na2 O20 S4 -","- C22 H22 N2 Na2 O20 S4 -","- C44 H44 N4 Na4 O40 S8 -","2","0.5","","Huang, Yu-De; Huo, Peng; Shao, Ming-Yan; Yin, Jing-Xue; Shen, Wei-Chun; Zhu, Qin-Yu; Dai, Jie","A New Type of Charge-Transfer Salts Based on Tetrathiafulvalene-Tetracarboxylate Coordination Polymers and Methyl Viologen.","Inorganic chemistry","2014","53","7","3480","","10.1021/ic402926n","","","0.71075","MoKα","","0.1215","0.0664","","","0.1307","0.178","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337847","9.034","0.003","11.188","0.003","25.73","0.005","90","","93.3","0.03","90","","2596.3","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Mn N2 O12 S4 -","- C22 H18 Mn N2 O12 S4 -","- C88 H72 Mn4 N8 O48 S16 -","4","0.5","","Huang, Yu-De; Huo, Peng; Shao, Ming-Yan; Yin, Jing-Xue; Shen, Wei-Chun; Zhu, Qin-Yu; Dai, Jie","A New Type of Charge-Transfer Salts Based on Tetrathiafulvalene-Tetracarboxylate Coordination Polymers and Methyl Viologen.","Inorganic chemistry","2014","53","7","3480","","10.1021/ic402926n","","","0.71073","MoKα","","0.147","0.0715","","","0.1215","0.1656","","","","","","1.198","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337848","6.3594","0.0013","13.651","0.003","14.421","0.003","90","","101.31","0.03","90","","1227.6","0.5","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H18 Mn N2 O10 S4 -","- C22 H14 Mn N2 O10 S4 -","- C44 H28 Mn2 N4 O20 S8 -","2","0.5","","Huang, Yu-De; Huo, Peng; Shao, Ming-Yan; Yin, Jing-Xue; Shen, Wei-Chun; Zhu, Qin-Yu; Dai, Jie","A New Type of Charge-Transfer Salts Based on Tetrathiafulvalene-Tetracarboxylate Coordination Polymers and Methyl Viologen.","Inorganic chemistry","2014","53","7","3480","","10.1021/ic402926n","","","0.71073","MoKα","","0.1134","0.0557","","","0.1054","0.1395","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337849","10.288","0.003","10.937","0.003","11.342","0.003","69.14","0.003","85.436","0.003","85.915","0.003","1187.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Cl6 N W -","- C21 H20 Cl6 N W -","- C42 H40 Cl12 N2 W2 -","2","1","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Tribenzylamine C-H Activation and Intermolecular Hydrogen Transfer Promoted by WCl6.","Inorganic chemistry","2014","53","7","3832","","10.1021/ic5001683","","","0.71073","MoKα","","0.0678","0.0406","","","0.0836","0.0948","","","","","","1.012","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337850","14.7496","0.0016","15.1195","0.0017","10.858","0.0012","90","","90","","90","","2421.4","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H22 Cl6 N W -","- C21 H22 Cl6 N W -","- C84 H88 Cl24 N4 W4 -","4","1","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Tribenzylamine C-H Activation and Intermolecular Hydrogen Transfer Promoted by WCl6.","Inorganic chemistry","2014","53","7","3832","","10.1021/ic5001683","","","0.71073","MoKα","","0.0273","0.0263","","","0.0622","0.0627","","","","","","1.05","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337851","19.449","0.002","19.449","0.002","20.958","0.002","90","","90","","90","","7927.6","1.4","301","2","301","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C124 H108 Au10 Cl2 N4 O8 P8 S4 -","- C124 H108 Au10 N4 P8 S4 -","- C248 H216 Au20 N8 P16 S8 -","2","0.25","","Cheng, Eddie Chung-Chin; Lo, Wing-Yin; Lee, Terence Kwok-Ming; Zhu, Nianyong; Yam, Vivian Wing-Wah","Synthesis, Characterization, and Luminescence Studies of Discrete Polynuclear Gold(I) Sulfido and Selenido Complexes with Intramolecular Aurophilic Contacts.","Inorganic chemistry","2014","53","7","3854","","10.1021/ic500215d","","","0.71073","MoKα","","0.0594","0.0477","","","0.1384","0.1525","","","","","","1.062","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337852","19.442","0.002","19.442","0.002","21.17","0.002","90","","90","","90","","8002.1","1.4","301","2","301","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C120 H96 Au10 Cl6 N4 O8 P8 S4 -","- C120 H96 Au10 Cl6 N4 O8 P8 S4 -","- C240 H192 Au20 Cl12 N8 O16 P16 S8 -","2","0.25","","Cheng, Eddie Chung-Chin; Lo, Wing-Yin; Lee, Terence Kwok-Ming; Zhu, Nianyong; Yam, Vivian Wing-Wah","Synthesis, Characterization, and Luminescence Studies of Discrete Polynuclear Gold(I) Sulfido and Selenido Complexes with Intramolecular Aurophilic Contacts.","Inorganic chemistry","2014","53","7","3854","","10.1021/ic500215d","","","0.71073","mokα","","0.0653","0.0507","","","0.1393","0.1559","","","","","","1.082","","","","has coordinates","134500","2020-10-21","18:00:00",""
"4337853","18.734","0.004","34.153","0.007","24.686","0.005","90","","109.49","0.03","90","","14890","6","253","2","253","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C120 H126 Au10 Cl22 N4 O8 P8 Se4 -","- C120 H114 Au10 Cl22 N4 O8 P8 Se4 -","- C480 H456 Au40 Cl88 N16 O32 P32 Se16 -","4","0.5","","Cheng, Eddie Chung-Chin; Lo, Wing-Yin; Lee, Terence Kwok-Ming; Zhu, Nianyong; Yam, Vivian Wing-Wah","Synthesis, Characterization, and Luminescence Studies of Discrete Polynuclear Gold(I) Sulfido and Selenido Complexes with Intramolecular Aurophilic Contacts.","Inorganic chemistry","2014","53","7","3854","","10.1021/ic500215d","","","0.71073","MoKα","","0.0985","0.055","","","0.1308","0.1494","","","","","","0.887","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337854","26.67","0.005","17.226","0.003","22.079","0.004","90","","93.08","0.03","90","","10129","3","253","2","253","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C85 H89 Au6 Cl8 F12 N3 P8 Se2 -","- C85 H82 Au6 Cl8 F12 N3 P8 Se2 -","- C340 H328 Au24 Cl32 F48 N12 P32 Se8 -","4","0.5","","Cheng, Eddie Chung-Chin; Lo, Wing-Yin; Lee, Terence Kwok-Ming; Zhu, Nianyong; Yam, Vivian Wing-Wah","Synthesis, Characterization, and Luminescence Studies of Discrete Polynuclear Gold(I) Sulfido and Selenido Complexes with Intramolecular Aurophilic Contacts.","Inorganic chemistry","2014","53","7","3854","","10.1021/ic500215d","","","0.71069","MoKα","","0.0679","0.0375","","","0.094","0.1142","","","","","","0.947","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337855","14.961","0.003","22.075","0.004","28.92","0.006","90","","95.89","0.03","90","","9501","3","253","2","253","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C92 H79 Au6 Cl6 N3 O8 P6 Se2 -","- C92 H79 Au6 Cl6 N3 O8 P6 Se2 -","- C368 H316 Au24 Cl24 N12 O32 P24 Se8 -","4","1","","Cheng, Eddie Chung-Chin; Lo, Wing-Yin; Lee, Terence Kwok-Ming; Zhu, Nianyong; Yam, Vivian Wing-Wah","Synthesis, Characterization, and Luminescence Studies of Discrete Polynuclear Gold(I) Sulfido and Selenido Complexes with Intramolecular Aurophilic Contacts.","Inorganic chemistry","2014","53","7","3854","","10.1021/ic500215d","","","0.71069","MoKα","","0.0602","0.0376","","","0.0967","0.1129","","","","","","0.906","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337856","15.7842","0.0008","13.1866","0.0007","19.5857","0.001","90","","93.825","0.002","90","","4067.5","0.4","100","2","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H39 Cl F6 N7 P Ru S -","- C42 H39 Cl F5.6 N7 P Ru S -","- C168 H156 Cl4 F22.4 N28 P4 Ru4 S4 -","4","1","","Wanniarachchi, Dakshika C.; Heeg, Mary Jane; Verani, Cláudio N","Effect of Substituents on the Water Oxidation Activity of [Ru(II)(terpy)(phen)Cl](+) Procatalysts.","Inorganic chemistry","2014","53","7","3311","","10.1021/ic402118u","","","0.71073","MoKα","","0.0454","0.0371","","","0.0994","0.1048","","","","","","1.019","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337857","8.8581","0.0007","15.4618","0.0011","16.0397","0.0012","103.24","0.004","105.443","0.004","91.864","0.004","2051","0.3","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C42 H38 Cl F6 N8 P Ru S -","- C42 H38 Cl F6 N8 P Ru S -","- C84 H76 Cl2 F12 N16 P2 Ru2 S2 -","2","1","","Wanniarachchi, Dakshika C.; Heeg, Mary Jane; Verani, Cláudio N","Effect of Substituents on the Water Oxidation Activity of [Ru(II)(terpy)(phen)Cl](+) Procatalysts.","Inorganic chemistry","2014","53","7","3311","","10.1021/ic402118u","","","0.71073","MoKα","","0.1837","0.1212","","","0.3099","0.3483","","","","","","1.07","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337858","18.788","0.005","16.882","0.005","27.893","0.005","90","0.005","102.47","0.005","90","0.005","8638","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H104 Gd4 N8 O25 -","- C78 H104 Gd4 N8 O25 -","- C312 H416 Gd16 N32 O100 -","4","1","","Das, Sourav; Dey, Atanu; Biswas, Sourav; Colacio, Enrique; Chandrasekhar, Vadapalli","Hydroxide-Free Cubane-Shaped Tetranuclear [Ln4] Complexes.","Inorganic chemistry","2014","53","7","3417","","10.1021/ic402827b","","","0.71069","MoKα","","0.1073","0.0718","","","0.1655","0.186","","","","","","1.042","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337859","17.781","0.003","17.155","0.003","26.846","0.004","90","","100.194","0.003","90","","8060","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 N8 O24 Tb4 -","- C74 H84 N8 O24 Tb4 -","- C296 H336 N32 O96 Tb16 -","4","1","","Das, Sourav; Dey, Atanu; Biswas, Sourav; Colacio, Enrique; Chandrasekhar, Vadapalli","Hydroxide-Free Cubane-Shaped Tetranuclear [Ln4] Complexes.","Inorganic chemistry","2014","53","7","3417","","10.1021/ic402827b","","","0.71073","MoKα","","0.0629","0.0398","","","0.0911","0.101","","","","","","1.011","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337860","18.644","0.005","16.89","0.005","28.125","0.005","90","0.005","103.149","0.005","90","0.005","8624","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H100 Dy4 N8 O26 -","- C78 H100 Dy4 N8 O26 -","- C312 H400 Dy16 N32 O104 -","4","1","","Das, Sourav; Dey, Atanu; Biswas, Sourav; Colacio, Enrique; Chandrasekhar, Vadapalli","Hydroxide-Free Cubane-Shaped Tetranuclear [Ln4] Complexes.","Inorganic chemistry","2014","53","7","3417","","10.1021/ic402827b","","","0.71069","MoKα","","0.0942","0.0571","","","0.1423","0.1632","","","","","","1.029","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337861","11.799","0.0012","7.0659","0.0008","12.1075","0.0005","90","","91.753","0.006","90","","1008.94","0.16","100","","100","","","","","","","","N-methyl-formamide","5","P 1 21/n 1","-P 2yn","14","","N,N'-3,7-diazabicyclo[3.3.1]nonane-dichloro-platinum(ii)","","- C7 H14 Cl2 N2 Pt -","- C7 H14 Cl2 N2 Pt -","- C28 H56 Cl8 N8 Pt4 -","4","1","","Cui, Huiling; Goddard, Richard; Pörschke, Klaus-Richard; Hamacher, Alexandra; Kassack, Matthias U.","Bispidine Analogues of Cisplatin, Carboplatin, and Oxaliplatin. Synthesis, Structures, and Cytotoxicity.","Inorganic chemistry","2014","53","7","3371","","10.1021/ic402737f","","","0.71073","MoKα","","0.0208","0.017","","","0.0335","0.0343","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337862","6.4029","0.0007","6.7311","0.0008","16.8847","0.0019","91.573","0.002","94.723","0.002","92.842","0.002","723.98","0.14","100","","100","","","","","","","","dimethylformamide","6","P -1","-P 1","2","","N,N'-3,7-diazabicyclo[3.3.1]nonane-dichloro-platinum(ii) dimethylformamide","","- C10 H21 Cl2 N3 O Pt -","- C10 H21 Cl2 N3 O Pt -","- C20 H42 Cl4 N6 O2 Pt2 -","2","1","","Cui, Huiling; Goddard, Richard; Pörschke, Klaus-Richard; Hamacher, Alexandra; Kassack, Matthias U.","Bispidine Analogues of Cisplatin, Carboplatin, and Oxaliplatin. Synthesis, Structures, and Cytotoxicity.","Inorganic chemistry","2014","53","7","3371","","10.1021/ic402737f","","","0.71073","Mo-Kα","","0.0386","0.0358","","","0.0958","0.0969","","","","","","1.179","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337863","11.5643","0.0008","12.4656","0.0012","8.824","0.0006","90","","90","","90","","1272.03","0.17","100","","100","","","","","","","","water","6","P n m a","-P 2ac 2n","62","","N,N'-3,7-diazabicyclo[3.3.1]nonane-dichloro-platinum(ii) trihydrate","","- C7 H20 Cl2 N2 O3 Pt -","- C7 H20 Cl2 N2 O3 Pt -","- C28 H80 Cl8 N8 O12 Pt4 -","4","0.5","","Cui, Huiling; Goddard, Richard; Pörschke, Klaus-Richard; Hamacher, Alexandra; Kassack, Matthias U.","Bispidine Analogues of Cisplatin, Carboplatin, and Oxaliplatin. Synthesis, Structures, and Cytotoxicity.","Inorganic chemistry","2014","53","7","3371","","10.1021/ic402737f","","","0.71073","MoKα","","0.0123","0.0116","","","0.0281","0.0284","","","","","","1.307","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337864","9.4208","0.001","12.9561","0.0014","16.9582","0.0018","69.322","0.002","88.402","0.002","77.024","0.002","1884.1","0.3","100","","100","","","","","","","","water","5","P -1","-P 1","2","","N,N'-3,7-diazabicyclo[3.3.1]nonane-1,1-cyclobutane-dicarboxylato-platinum(ii) penta-hydrate","","- C13 H30 N2 O9 Pt -","- C13 H30 N2 O9 Pt -","- C52 H120 N8 O36 Pt4 -","4","2","","Cui, Huiling; Goddard, Richard; Pörschke, Klaus-Richard; Hamacher, Alexandra; Kassack, Matthias U.","Bispidine Analogues of Cisplatin, Carboplatin, and Oxaliplatin. Synthesis, Structures, and Cytotoxicity.","Inorganic chemistry","2014","53","7","3371","","10.1021/ic402737f","","","0.71073","Mo-Kα","","0.031","0.0265","","","0.0662","0.0681","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337865","7.0242","0.0008","7.8624","0.0009","10.0847","0.0011","94.501","0.001","105.465","0.001","99.269","0.001","525.44","0.1","200","","200","","","","","","","","water","5","P -1","-P 1","2","","N,N'-3,7-diazabicyclo[3.3.1]nonane-oxalato-platinum(ii)","","- C9 H14 N2 O4 Pt -","- C9 H14 N2 O4 Pt -","- C18 H28 N4 O8 Pt2 -","2","1","","Cui, Huiling; Goddard, Richard; Pörschke, Klaus-Richard; Hamacher, Alexandra; Kassack, Matthias U.","Bispidine Analogues of Cisplatin, Carboplatin, and Oxaliplatin. Synthesis, Structures, and Cytotoxicity.","Inorganic chemistry","2014","53","7","3371","","10.1021/ic402737f","","","0.71073","Mo-Kα","","0.0252","0.0243","","","0.0626","0.063","","","","","","1.101","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337866","12.1129","0.0008","12.2928","0.0008","21.849","0.0015","94.436","0.003","97","0.003","91.324","0.003","3217.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H28.5 F12 N7.5 P2 Ru -","- C25 H28.5 F12 N7.5 P2 Ru -","- C100 H114 F48 N30 P8 Ru4 -","4","2","","Sharma, Rajgopal; Knoll, Jessica D.; Martin, Philip D.; Podgorski, Izabela; Turro, Claudia; Kodanko, Jeremy J.","Ruthenium Tris(2-pyridylmethyl)amine as an Effective Photocaging Group for Nitriles.","Inorganic chemistry","2014","53","7","3272","","10.1021/ic500299s","","","0.71073","MoKα","","0.0771","0.0579","","","0.1853","0.1952","","","","","","1.413","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4337867","44.2046","0.0009","58.0184","0.0014","13.2016","0.0002","90","","90","","90","","33857.9","1.2","153","2","153","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H80 O32 Pd8 S16 -","- C48 H78.5 O32 Pd8 S16 -","- C768 H1256 O512 Pd128 S256 -","16","1","","Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki","Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.","Inorganic chemistry","2014","53","7","3558","","10.1021/ic403050c","","","0.71075","MoKα","","0.0437","0.0396","","","0.1021","0.1075","","","","","","1.082","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337868","8.797","0.002","8.972","0.002","21.14","0.005","90","","98.819","0.004","90","","1648.8","0.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Cl O4 Pd S2 -","- C14 H17 Cl O4 Pd S2 -","- C56 H68 Cl4 O16 Pd4 S8 -","4","1","","Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki","Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.","Inorganic chemistry","2014","53","7","3558","","10.1021/ic403050c","","","0.71075","MoKα","","0.0334","0.0319","","","0.0806","0.0822","","","","","","1.076","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337869","14.86","","15.072","","21.378","","103.32","","97.07","","101.26","","4498.12","","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H81 Cl3 O32 Pt8 S16 -","- C49 H81 Cl3 O32 Pt8 S16 -","- C98 H162 Cl6 O64 Pt16 S32 -","2","1","","Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki","Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.","Inorganic chemistry","2014","53","7","3558","","10.1021/ic403050c","","","0.71075","MoKα","","0.0592","0.055","","","0.1541","0.162","","","","","","1.045","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337870","44.4491","0.0014","57.776","0.002","13.386","0.0004","90","","90","","90","","34376.5","1.9","153","2","153","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C49 H82 Cl2 O32 Pd8 S16 -","- C49 H82 Cl2 O32 Pd8 S16 -","- C784 H1312 Cl32 O512 Pd128 S256 -","16","1","","Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki","Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.","Inorganic chemistry","2014","53","7","3558","","10.1021/ic403050c","","","0.71075","MoKα","","0.0497","0.0454","","","0.1229","0.1289","","","","","","1.059","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337871","44.343","0.008","57.699","0.01","13.638","0.002","90","","90","","90","","34893","10","153","2","153","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H84 Cl2 O32 Pd8 S16 -","- C50 H84 Cl2 O32 Pd8 S16 -","- C800 H1344 Cl32 O512 Pd128 S256 -","16","1","","Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki","Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.","Inorganic chemistry","2014","53","7","3558","","10.1021/ic403050c","","","0.71075","MoKα","","0.0659","0.0563","","","0.1258","0.1316","","","","","","1.163","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337872","44.4317","0.0016","57.845","0.002","13.4171","0.0005","90","","90","","90","","34484","2","123","2","123","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C49 H82 Br2 O32 Pd8 S16 -","- C49 H72.75 Br2 O32 Pd8 S16 -","- C784 H1164 Br32 O512 Pd128 S256 -","16","1","","Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki","Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.","Inorganic chemistry","2014","53","7","3558","","10.1021/ic403050c","","","0.71075","MoKα","","0.0676","0.0576","","","0.1542","0.167","","","","","","1.071","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337873","44.3537","0.0016","57.846","0.002","13.4113","0.0005","90","","90","","90","","34409","2","153","2","153","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C49 H83 I O32 Pd8 S16 -","- C49 H82.1 I O32 Pd8 S16 -","- C784 H1313.6 I16 O512 Pd128 S256 -","16","1","","Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki","Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.","Inorganic chemistry","2014","53","7","3558","","10.1021/ic403050c","","","0.71075","MoKα","","0.0969","0.0772","","","0.2177","0.2452","","","","","","1.063","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337874","14.972","0.005","15.233","0.005","21.264","0.005","102.981","0.005","98.033","0.005","102.249","0.005","4528","2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H84 Cl4 O32 Pt8 S16 -","- C50 H81 Cl4 O32 Pt8 S16 -","- C100 H162 Cl8 O64 Pt16 S32 -","2","1","","Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki","Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.","Inorganic chemistry","2014","53","7","3558","","10.1021/ic403050c","","","0.71069","MoKα","","0.078","0.0614","","","0.1842","0.2248","","","","","","1.069","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337875","14.874","0.005","15.16","0.005","20.963","0.007","102.418","0.004","97.522","0.008","101.807","0.003","4442","3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H84 Cl2 O32 Pt8 S16 -","- C50.5 H80.5 Cl2 O31.5 Pt8 S16 -","- C101 H161 Cl4 O63 Pt16 S32 -","2","1","","Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki","Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.","Inorganic chemistry","2014","53","7","3558","","10.1021/ic403050c","","","0.71075","MoKα","","0.1326","0.0989","","","0.2471","0.2785","","","","","","1.119","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337876","15.009","0.005","15.279","0.005","21.271","0.005","103.088","0.005","97.974","0.005","102.537","0.005","4546","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H84 Br4 O32 Pt8 S16 -","- C50 H84 Br4 O32 Pt8 S16 -","- C100 H168 Br8 O64 Pt16 S32 -","2","1","","Yamashina, Yukari; Kataoka, Yasutaka; Ura, Yasuyuki","Tiara-like Octanuclear Palladium(II) and Platinum(II) Thiolates and Their Inclusion Complexes with Dihalo- or Iodoalkanes.","Inorganic chemistry","2014","53","7","3558","","10.1021/ic403050c","","","0.71069","MoKα","","0.0954","0.0725","","","0.2031","0.2337","","","","","","1.075","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337877","26.2457","0.0015","13.9671","0.0008","29.8116","0.0017","90","","95.311","0.001","90","","10881.3","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H120 N32 Ni4 O16 W2 -","- C76 H120 N32 Ni4 O16 W2 -","- C304 H480 N128 Ni16 O64 W8 -","4","1","","Zhang, Daopeng; Si, Weijiang; Wang, Ping; Chen, Xia; Jiang, Jianzhuang","1D to 3D Heterobimetallic Complexes Tuned by Cyanide Precursors: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","7","3494","","10.1021/ic4029386","","","0.71073","MoKα","","0.07","0.0493","","","0.1363","0.1538","","","","","","1.032","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337878","11.2803","0.0008","16.4227","0.0011","20.3742","0.0014","98.24","0.001","91.116","0.001","105.467","0.001","3593.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H80 Cr2 N24 Ni3 O7 -","- C57 H80 Cr2 N24 Ni3 O7 -","- C114 H160 Cr4 N48 Ni6 O14 -","2","1","","Zhang, Daopeng; Si, Weijiang; Wang, Ping; Chen, Xia; Jiang, Jianzhuang","1D to 3D Heterobimetallic Complexes Tuned by Cyanide Precursors: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","7","3494","","10.1021/ic4029386","","","0.71073","MoKα","","0.0913","0.0688","","","0.1994","0.2231","","","","","","1.035","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337879","11.226","0.0016","16.255","0.002","19.936","0.003","98.772","0.002","91.718","0.002","105.78","0.002","3450.1","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H80 Fe2 N24 Ni3 O7 -","- C57 H80 Fe2 N24 Ni3 O7 -","- C114 H160 Fe4 N48 Ni6 O14 -","2","1","","Zhang, Daopeng; Si, Weijiang; Wang, Ping; Chen, Xia; Jiang, Jianzhuang","1D to 3D Heterobimetallic Complexes Tuned by Cyanide Precursors: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","7","3494","","10.1021/ic4029386","","","0.71073","MoKα","","0.0898","0.063","","","0.1769","0.1964","","","","","","1.025","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337880","11.217","0.003","17.405","0.005","20.125","0.005","90","","99.431","0.005","90","","3875.9","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 Cl Fe N10 Ni O6 -","- C35 H34 Cl Fe N10 Ni O6 -","- C140 H136 Cl4 Fe4 N40 Ni4 O24 -","4","1","","Zhang, Daopeng; Si, Weijiang; Wang, Ping; Chen, Xia; Jiang, Jianzhuang","1D to 3D Heterobimetallic Complexes Tuned by Cyanide Precursors: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","7","3494","","10.1021/ic4029386","","","0.71073","MoKα","","0.1394","0.078","","","0.206","0.2469","","","","","","1.005","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337881","26.11","0.05","13.91","0.03","29.55","0.06","90","","94.27","0.04","90","","10702","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H116 Mo2 N33 Ni4 O13 -","- C78 H116 Mo2 N33 Ni4 O13 -","- C312 H464 Mo8 N132 Ni16 O52 -","4","1","","Zhang, Daopeng; Si, Weijiang; Wang, Ping; Chen, Xia; Jiang, Jianzhuang","1D to 3D Heterobimetallic Complexes Tuned by Cyanide Precursors: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","7","3494","","10.1021/ic4029386","","","0.71073","MoKα","","0.1424","0.0775","","","0.2079","0.2612","","","","","","1.024","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337882","20.051","0.00019","6.18822","0.00006","14.8462","0.00014","90","","105.361","0.001","90","","1776.31","0.03","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Ru2 S2 -","- C20 H18 Ru2 S2 -","- C80 H72 Ru8 S8 -","4","1","","Hess, Jeannine; Konatschnig, Sandro; Morard, Sandra; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Gasser, Gilles","Novel, Mercury-Free Synthetic Pathway for Trifluoromethylthio-Substituted Metallocenes.","Inorganic chemistry","2014","53","7","3662","","10.1021/ic403169z","","","1.54184","CuKα","","0.0218","0.021","","","0.0536","0.0543","","","","","","1.059","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337883","9.8641","0.0004","8.9636","0.0005","11.181","0.0005","90","","90","","90","","988.6","0.08","183","2","183","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H9 Fe N S -","- C11 H9 Fe N S -","- C44 H36 Fe4 N4 S4 -","4","0.5","","Hess, Jeannine; Konatschnig, Sandro; Morard, Sandra; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Gasser, Gilles","Novel, Mercury-Free Synthetic Pathway for Trifluoromethylthio-Substituted Metallocenes.","Inorganic chemistry","2014","53","7","3662","","10.1021/ic403169z","","","0.71073","MoKα","","0.0401","0.0322","","","0.0753","0.0817","","","","","","1.072","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337884","6.1998","0.0003","23.4486","0.0017","8.0167","0.0005","90","","96.175","0.005","90","","1158.68","0.12","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 I N Ru S -","- C11 H8 I N Ru S -","- C44 H32 I4 N4 Ru4 S4 -","4","1","","Hess, Jeannine; Konatschnig, Sandro; Morard, Sandra; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Gasser, Gilles","Novel, Mercury-Free Synthetic Pathway for Trifluoromethylthio-Substituted Metallocenes.","Inorganic chemistry","2014","53","7","3662","","10.1021/ic403169z","","","0.7107","MoKα","","0.0794","0.0766","","","0.2172","0.2191","","","","","","1.129","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337885","10.1795","0.0004","8.8273","0.0004","11.3535","0.0004","90","","90","","90","","1020.2","0.07","183","2","183","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H9 N Ru S -","- C11 H9 N Ru S -","- C44 H36 N4 Ru4 S4 -","4","0.5","","Hess, Jeannine; Konatschnig, Sandro; Morard, Sandra; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Gasser, Gilles","Novel, Mercury-Free Synthetic Pathway for Trifluoromethylthio-Substituted Metallocenes.","Inorganic chemistry","2014","53","7","3662","","10.1021/ic403169z","","","0.7107","MoKα","","0.0238","0.0198","","","0.0465","0.0485","","","","","","1.072","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337886","8.6139","0.0003","15.6899","0.0005","17.6143","0.0006","112.155","0.003","91.782","0.003","93.535","0.003","2196.83","0.14","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 I2 Ru -","- C10 H8 I2 Ru -","- C80 H64 I16 Ru8 -","8","4","","Hess, Jeannine; Konatschnig, Sandro; Morard, Sandra; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Gasser, Gilles","Novel, Mercury-Free Synthetic Pathway for Trifluoromethylthio-Substituted Metallocenes.","Inorganic chemistry","2014","53","7","3662","","10.1021/ic403169z","","","0.7107","MoKα","","0.0703","0.041","","","0.0901","0.0961","","","","","","0.957","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337887","5.6975","0.0001","9.97855","0.00016","10.16289","0.00019","87.2395","0.0014","86.0821","0.0015","76.6531","0.0014","560.557","0.017","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F3 Ru S -","- C11 H9 F3 Ru S -","- C22 H18 F6 Ru2 S2 -","2","1","","Hess, Jeannine; Konatschnig, Sandro; Morard, Sandra; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Gasser, Gilles","Novel, Mercury-Free Synthetic Pathway for Trifluoromethylthio-Substituted Metallocenes.","Inorganic chemistry","2014","53","7","3662","","10.1021/ic403169z","","","0.71073","MoKα","","0.0176","0.0169","","","0.043","0.0434","","","","","","1.081","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337888","17.2322","0.0005","17.4969","0.0005","20.5736","0.0006","90","","90","","90","","6203.1","0.3","120","2","120","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C20 H40 Cu3 Mo N16 O5 -","- C20 H40 Cu3 Mo N16 O5 -","- C160 H320 Cu24 Mo8 N128 O40 -","8","1","","Stefańczyk, Olaf; Rams, Michał; Majcher, Anna M.; Mathonière, Corine; Sieklucka, Barbara","Chiral (LH)2L2Cu3 Trinuclear Paramagnetic Nodes in Octacyanidometalate-Bridged Helical Chains.","Inorganic chemistry","2014","53","7","3874","","10.1021/ic500271f","","x-ray","0.71073","MoKα","","0.0497","0.0286","","","0.06","0.0634","","","","","","0.932","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337889","17.246","0.0002","17.529","0.0002","20.614","0.0004","90","","90","","90","","6231.72","0.16","120","2","120","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C20 H40 Cu3 N16 O5 W -","- C20 H40 Cu3 N16 O5 W -","- C160 H320 Cu24 N128 O40 W8 -","8","1","","Stefańczyk, Olaf; Rams, Michał; Majcher, Anna M.; Mathonière, Corine; Sieklucka, Barbara","Chiral (LH)2L2Cu3 Trinuclear Paramagnetic Nodes in Octacyanidometalate-Bridged Helical Chains.","Inorganic chemistry","2014","53","7","3874","","10.1021/ic500271f","","x-ray","0.71069","MoKα","","0.0263","0.0237","","","0.0595","0.0613","","","","","","1.083","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337890","6.5693","0.0013","11.154","0.002","11.224","0.002","86.73","0.03","81.82","0.03","89.08","0.03","812.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H30 B2 P2 -","- C12 H30 B2 P2 -","- C24 H60 B4 P4 -","2","1","","Hooper, Thomas N.; Huertos, Miguel A.; Jurca, Titel; Pike, Sebastian D.; Weller, Andrew S.; Manners, Ian","Effect of the Phosphine Steric and Electronic Profile on the Rh-Promoted Dehydrocoupling of Phosphine-Boranes.","Inorganic chemistry","2014","53","7","3716","","10.1021/ic500032f","","","0.71073","MoKα","","0.0451","0.0355","","","0.0877","0.0923","","","","","","1.055","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337891","23.0154","0.0005","17.2614","0.0003","28.0372","0.0009","90","","109.424","0.003","90","","10504.6","0.5","150","","150","","","","","","","","CRL, Universtity of Oxford","6","P 1 21/c 1","-P 2ybc","14","","RhH(dpp3)P(CF3)2BH2P(CF3)2BH3","","- C96 H68 B3 F48 P4 Rh -","- C96 H68 B3 F48 P4 Rh -","- C384 H272 B12 F192 P16 Rh4 -","4","1","","Hooper, Thomas N.; Huertos, Miguel A.; Jurca, Titel; Pike, Sebastian D.; Weller, Andrew S.; Manners, Ian","Effect of the Phosphine Steric and Electronic Profile on the Rh-Promoted Dehydrocoupling of Phosphine-Boranes.","Inorganic chemistry","2014","53","7","3716","","10.1021/ic500032f","","","1.5418","CuKα","","0.0961","0.065","","0.1711","0.1596","0.1711","","","","","","0.947","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337892","14.972","0.001","17.8931","0.001","20.0362","0.0012","79.893","0.005","89.102","0.005","74.957","0.005","5100.7","0.6","150","","150","","","","","","","","CRL, University of Oxford","6","P -1","-P 1","2","","[Rh(dpp3)(PHAd2)(BH3.PHAd2)][BARF4]","","- C104 H115 B2 F24 P4 Rh -","- C104 H115 B2 F24 P4 Rh -","- C208 H230 B4 F48 P8 Rh2 -","2","1","","Hooper, Thomas N.; Huertos, Miguel A.; Jurca, Titel; Pike, Sebastian D.; Weller, Andrew S.; Manners, Ian","Effect of the Phosphine Steric and Electronic Profile on the Rh-Promoted Dehydrocoupling of Phosphine-Boranes.","Inorganic chemistry","2014","53","7","3716","","10.1021/ic500032f","","","1.5418","CuKα","","0.1324","0.0752","","0.195","0.1811","0.195","","","","","","0.9152","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337893","16.4783","0.0002","18.4893","0.0002","21.272","0.0003","79.5983","0.0005","74.0583","0.0006","64.6987","0.0006","5619.05","0.12","150","","150","","","","","","","","CRL, University of Oxford","6","P -1","-P 1","2","","[RhH(dpp3)(P(ArF)2BH3)(PH(ArF)2BH3)][BArF4]","","- C106.69 H68.46 B3 F53.23 P4 Rh -","- C106.687 H68.458 B3 F53.229 P4 Rh -","- C213.374 H136.916 B6 F106.458 P8 Rh2 -","2","1","","Hooper, Thomas N.; Huertos, Miguel A.; Jurca, Titel; Pike, Sebastian D.; Weller, Andrew S.; Manners, Ian","Effect of the Phosphine Steric and Electronic Profile on the Rh-Promoted Dehydrocoupling of Phosphine-Boranes.","Inorganic chemistry","2014","53","7","3716","","10.1021/ic500032f","","","0.71073","MoKα","","0.0859","0.0629","","0.1857","0.1623","0.1855","","","","","","0.8277","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337894","6.6357","0.0005","14.1424","0.0011","18.142","0.0014","90.95","0.001","94.208","0.001","94.766","0.001","1691.6","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H22 Cl F6 N5 O7 Pt S2 -","- C30 H22 Cl F6 N5 O7 Pt S2 -","- C60 H44 Cl2 F12 N10 O14 Pt2 S4 -","2","1","","Han, Ali; Du, Pingwu; Sun, Zijun; Wu, Haotian; Jia, Hongxing; Zhang, Rui; Liang, Zhenning; Cao, Rui; Eisenberg, Richard","Reversible Mechanochromic Luminescence at Room Temperature in Cationic Platinum(II) Terpyridyl Complexes.","Inorganic chemistry","2014","53","7","3338","","10.1021/ic402624u","","","0.71073","MoKα","","0.0265","0.0199","","","0.0521","0.0625","","","","","","1.051","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337895","9.923","0.0011","11.9119","0.0013","13.9323","0.0015","91.86","0.002","101.43","0.002","95.305","0.002","1605.1","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H22 Cl F6 N5 O7 Pt S2 -","- C30 H22 Cl F6 N5 O7 Pt S2 -","- C60 H44 Cl2 F12 N10 O14 Pt2 S4 -","2","1","","Han, Ali; Du, Pingwu; Sun, Zijun; Wu, Haotian; Jia, Hongxing; Zhang, Rui; Liang, Zhenning; Cao, Rui; Eisenberg, Richard","Reversible Mechanochromic Luminescence at Room Temperature in Cationic Platinum(II) Terpyridyl Complexes.","Inorganic chemistry","2014","53","7","3338","","10.1021/ic402624u","","","0.71073","MoKα","","0.0373","0.0284","","","0.0603","0.0728","","","","","","1.063","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337896","17.809","0.002","17.809","0.002","27.08","0.008","90","","90","","90","","8589","3","200","2","200","2","","","","","","","","5","I 41","I 4bw","80","","","","- C48 H30 N5 O Zn -","- C48 H30 N5 O Zn -","- C384 H240 N40 O8 Zn8 -","8","1","","Jiang, Jiaxun; Fang, Xianshi; Liu, Baozhen; Hu, Chuanjiang","m-Phthalic Diamide-Linked Zinc Bisporphyrinate: Spontaneous Resolution of Its Crystals and Its Application in Chiral Recognition of Amino Acid Esters.","Inorganic chemistry","2014","53","7","3298","","10.1021/ic401949e","","","0.71073","MoKα","","0.1395","0.088","","","0.2257","0.2506","","","","","","0.995","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337897","10.6098","0.0006","11.0454","0.0006","15.5814","0.0009","101.428","0.003","97.149","0.003","94.792","0.003","1764.84","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.91 H36.88 Cl2.68 Fe N5 O5 -","- C36.906 H36.885 Cl2.676 Fe N5 O5 -","- C73.812 H73.77 Cl5.352 Fe2 N10 O10 -","2","1","","Wyllie, Graeme R. A.; Silvernail, Nathan J.; Oliver, Allen G.; Schulz, Charles E.; Scheidt, W. Robert","Iron Nitrosyl ""Natural"" Porphyrinates: Does the Porphyrin Matter?","Inorganic chemistry","2014","53","7","3763","","10.1021/ic500086k","","","0.71073","MoKα","","0.1033","0.0828","","","0.2145","0.2384","","","","","","1.084","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337898","12.7518","0.0012","16.2382","0.0015","18.3196","0.0017","101.158","0.001","104.882","0.001","93.238","0.001","3574.2","0.6","188","2","188","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H56 B F24 Ni P2 Ru S2 -","- C71 H56 B F24 Ni P2 Ru S2 -","- C142 H112 B2 F48 Ni2 P4 Ru2 S4 -","2","1","","Chambers, Geoffrey M.; Mitra, Joyee; Rauchfuss, Thomas B.; Stein, Matthias","Ni(I)/Ru(II) Model for the Ni-L State of the [NiFe]Hydrogenases: Synthesis, Spectroscopy, and Reactivity.","Inorganic chemistry","2014","53","8","4243","4249","10.1021/ic500389p","","","0.71073","MoKα","","0.0836","0.0537","","","0.1199","0.1352","","","","","","1.024","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337899","11.91","0.0009","16.8607","0.0011","34.616","0.003","90","","96.94","0.003","90","","6900.3","0.9","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C71 H55 B F24 Ni P2 Ru S2 -","- C71 H55 B F24 Ni P2 Ru S2 -","- C284 H220 B4 F96 Ni4 P8 Ru4 S8 -","4","1","","Chambers, Geoffrey M.; Mitra, Joyee; Rauchfuss, Thomas B.; Stein, Matthias","Ni(I)/Ru(II) Model for the Ni-L State of the [NiFe]Hydrogenases: Synthesis, Spectroscopy, and Reactivity.","Inorganic chemistry","2014","53","8","4243","4249","10.1021/ic500389p","","","0.71073","MoKα","","0.0669","0.0433","","","0.088","0.0966","","","","","","1.028","","","","has coordinates,has disorder","179481","2020-10-21","18:00:00",""
"4337900","24.9726","0.001","16.6486","0.0004","16.1717","0.0006","90","","90","","90","","6723.5","0.4","173","2","173","2","","","","","","","synthesis as described","7","P b c n","-P 2n 2ab","60","","","","- C26 H40 Al Bi Cl4 N2 Si -","- C26 H40 Al Bi Cl4 N2 Si -","- C208 H320 Al8 Bi8 Cl32 N16 Si8 -","8","1","","Schwamm, Ryan J.; Day, Benjamin M.; Coles, Martyn P.; Fitchett, Christopher M.","Low-Coordinate Bismuth Cations.","Inorganic chemistry","2014","53","7","3778","","10.1021/ic500113g","","x-ray","0.71073","MoKα","","0.1307","0.0767","","","0.1631","0.1886","","","","","","1.018","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337901","12.8472","0.0005","17.0713","0.0007","17.4081","0.0007","117.739","0.004","92.142","0.003","90.447","0.003","3375.4","0.3","120.01","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C58 H94 Bi2 Cl5 Ga N4 Si2 -","- C58 H94 Bi2 Cl5 Ga N4 Si2 -","- C116 H188 Bi4 Cl10 Ga2 N8 Si4 -","2","1","","Schwamm, Ryan J.; Day, Benjamin M.; Coles, Martyn P.; Fitchett, Christopher M.","Low-Coordinate Bismuth Cations.","Inorganic chemistry","2014","53","7","3778","","10.1021/ic500113g","","","1.5418","CuKα","","0.0402","0.0306","","","0.0733","0.0799","","","","","","1.036","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337902","12.9068","0.0002","15.6323","0.0004","17.324","0.0005","108.94","0.002","93.6783","0.0018","100.279","0.0018","3224.93","0.14","120","0.1","120.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C135 H180 Bi4 N8 Si4 -","- C135 H180 Bi4 N8 Si4 -","- C135 H180 Bi4 N8 Si4 -","1","0.5","","Schwamm, Ryan J.; Day, Benjamin M.; Coles, Martyn P.; Fitchett, Christopher M.","Low-Coordinate Bismuth Cations.","Inorganic chemistry","2014","53","7","3778","","10.1021/ic500113g","","","0.7107","MoKα","","0.0332","0.0237","","","0.0527","0.0558","","","","","","1.036","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337903","28.7503","0.0011","28.7503","0.0011","9.8541","0.0005","90","","90","","120","","7053.9","0.5","120","0.1","120","0.1","","","","","","","","5","R -3","-R 3","148","","","","- C28 H45 Bi N2 Si -","- C28 H45 Bi N2 Si -","- C252 H405 Bi9 N18 Si9 -","9","","","Schwamm, Ryan J.; Day, Benjamin M.; Coles, Martyn P.; Fitchett, Christopher M.","Low-Coordinate Bismuth Cations.","Inorganic chemistry","2014","53","7","3778","","10.1021/ic500113g","","","0.7107","MoKα","","0.1514","0.1289","","","0.2716","0.2795","","","","","","1.323","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337904","13.173","0.002","20.597","0.004","14.857","0.003","90","","115.395","0.002","90","","3641.6","1.2","123","","123","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C2 H38 K8 O78 P2 Ru S W17 -","- C2 H6 K6.7 O72.41 P2 Ru S W17 -","- C4 H12 K13.4 O144.82 P4 Ru2 S2 W34 -","2","0.5","","Ogo, Shuhei; Shimizu, Noriko; Nishiki, Kensuke; Yasuda, Nobuhiro; Mizuta, Tsutomu; Sano, Tsuneji; Sadakane, Masahiro","Preparation and Redox Studies of α1- and α2-Isomers of Mono-Ru-Substituted Dawson-type Phosphotungstates with a DMSO Ligand: [α1/α2-P2W17O61Ru(II)(DMSO)](8-)","Inorganic chemistry","2014","53","7","3526","","10.1021/ic403041s","","","0.71073","MoKα","","0.0848","0.0552","","","0.1459","0.1649","","","","","","1.044","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337905","12.5844","0.0005","15.1035","0.0006","22.214","0.0009","97.996","0.0014","90.9513","0.0015","112.943","0.0012","3838.7","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C2 H38 K8 O78 P2 Ru S W17 -","- C1.308 H3.924 K5.58 O77.348 P2 Ru0.996 S0.654 W17.004 -","- C2.616 H7.848 K11.16 O154.696 P4 Ru1.992 S1.308 W34.008 -","2","1","","Ogo, Shuhei; Shimizu, Noriko; Nishiki, Kensuke; Yasuda, Nobuhiro; Mizuta, Tsutomu; Sano, Tsuneji; Sadakane, Masahiro","Preparation and Redox Studies of α1- and α2-Isomers of Mono-Ru-Substituted Dawson-type Phosphotungstates with a DMSO Ligand: [α1/α2-P2W17O61Ru(II)(DMSO)](8-)","Inorganic chemistry","2014","53","7","3526","","10.1021/ic403041s","","","0.83095","Synchrotron","","0.1032","0.0883","","","0.2547","0.2679","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337906","17.6845","0.0014","14.1011","0.001","18.3747","0.0014","90","","90","","90","","4582.1","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(LMes1-)AlCl2","","","- C22 H28 Al Cl2 N2 -","- C22 H28 Al Cl2 N2 -","- C176 H224 Al8 Cl16 N16 -","8","1","","Cole, Bren E.; Wolbach, Jeffrey P.; Dougherty, Jr, William G.; Piro, Nicholas A.; Kassel, W. Scott; Graves, Christopher R.","Synthesis and Characterization of Aluminum-α-diimine Complexes over Multiple Redox States.","Inorganic chemistry","2014","53","7","3899","","10.1021/ic5003989","","","0.71073","MoKα","","0.068","0.043","","","0.1023","0.1152","","","","","","1.044","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337907","23.107","0.003","11.7175","0.0014","23.314","0.003","90","","100.299","0.007","90","","6210.7","1.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H44 Al Cl N2 O -","- C33 H44 Al Cl N2 O -","- C264 H352 Al8 Cl8 N16 O8 -","8","1","","Cole, Bren E.; Wolbach, Jeffrey P.; Dougherty, Jr, William G.; Piro, Nicholas A.; Kassel, W. Scott; Graves, Christopher R.","Synthesis and Characterization of Aluminum-α-diimine Complexes over Multiple Redox States.","Inorganic chemistry","2014","53","7","3899","","10.1021/ic5003989","","","0.71073","MoKα","","0.1743","0.0661","","","0.1122","0.1438","","","","","","1.019","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337908","12.3683","0.0004","21.3523","0.0008","10.4652","0.0004","90","","90","","90","","2763.77","0.17","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(LDipp1-)AlCl2","","","- C28 H40 Al Cl2 N2 -","- C28 H40 Al Cl2 N2 -","- C112 H160 Al4 Cl8 N8 -","4","0.5","","Cole, Bren E.; Wolbach, Jeffrey P.; Dougherty, Jr, William G.; Piro, Nicholas A.; Kassel, W. Scott; Graves, Christopher R.","Synthesis and Characterization of Aluminum-α-diimine Complexes over Multiple Redox States.","Inorganic chemistry","2014","53","7","3899","","10.1021/ic5003989","","","0.71073","MoKα","","0.0566","0.0387","","","0.0999","0.1108","","","","","","1.025","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337909","9.38858","0.00005","10.62813","0.00006","11.51412","0.00006","72.9455","0.0004","75.4527","0.0004","84.9335","0.0004","1063.05","0.01","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Fe N12 O8 S2 -","- C42 H42 Fe N12 O8 S2 -","- C42 H42 Fe N12 O8 S2 -","1","0.5","","Bräunlich, Irene; Sánchez-Ferrer, Antoni; Bauer, Matthias; Schepper, Rahel; Knüsel, Philippe; Dshemuchadse, Julia; Mezzenga, Raffaele; Caseri, Walter","Polynuclear Iron(II)-Aminotriazole Spincrossover Complexes (Polymers) In Solution.","Inorganic chemistry","2014","53","7","3546","","10.1021/ic403035u","","","0.71073","MoKα","","0.0387","0.0378","","","0.112","0.1133","","","","","","1.085","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337910","13.5997","0.0002","13.5997","0.0002","32.6601","0.0007","90","","90","","120","","5231.27","0.16","173","","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C43 H42 N P3 Ru -","- C43 H42 N P3 Ru -","- C258 H252 N6 P18 Ru6 -","6","0.333333","","Phanopoulos, Andreas; Brown, Neil J.; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Synthesis, Characterization, and Reactivity of Ruthenium Hydride Complexes of N-Centered Triphosphine Ligands.","Inorganic chemistry","2014","53","7","3742","","10.1021/ic500030k","","","0.71073","MoKα","","0.0285","0.0234","","","0.0574","0.0606","","","","","","1.065","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337911","12.22","0.0002","20.1647","0.0003","22.2859","0.0003","90","","102.413","0.0017","90","","5363.15","0.14","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 N O1.5 P4 Ru -","- C57 H53 N P4 Ru -","- C228 H212 N4 P16 Ru4 -","4","1","","Phanopoulos, Andreas; Brown, Neil J.; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Synthesis, Characterization, and Reactivity of Ruthenium Hydride Complexes of N-Centered Triphosphine Ligands.","Inorganic chemistry","2014","53","7","3742","","10.1021/ic500030k","","","0.71073","MoKα","","0.0489","0.0347","","","0.096","0.104","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337912","10.16076","0.0001","19.30931","0.00018","18.25882","0.00019","90","","101.221","0.0009","90","","3513.86","0.06","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 N O2 P3 Ru -","- C41 H36 N O2 P3 Ru -","- C164 H144 N4 O8 P12 Ru4 -","4","1","","Phanopoulos, Andreas; Brown, Neil J.; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Synthesis, Characterization, and Reactivity of Ruthenium Hydride Complexes of N-Centered Triphosphine Ligands.","Inorganic chemistry","2014","53","7","3742","","10.1021/ic500030k","","","0.71073","MoKα","","0.0396","0.0258","","","0.072","0.0744","","","","","","1.057","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337913","56.2065","0.0011","28.0254","0.0004","19.0501","0.0004","90","","90.438","0.002","90","","30007","1","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H60 N O3 P3 Ru -","- C36 H60 N O3 P3 Ru -","- C1152 H1920 N32 O96 P96 Ru32 -","32","8","","Phanopoulos, Andreas; Brown, Neil J.; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Synthesis, Characterization, and Reactivity of Ruthenium Hydride Complexes of N-Centered Triphosphine Ligands.","Inorganic chemistry","2014","53","7","3742","","10.1021/ic500030k","","","0.71073","MoKα","","0.0416","0.034","","","0.0762","0.0815","","","","","","1.051","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337914","12.1061","0.0002","16.2216","0.0004","24.8191","0.0007","100.354","0.002","101.124","0.0019","105.082","0.0019","4479.6","0.2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C48.75 H45.5 Cl1.5 N O4 P3 Ru -","- C48.75 H45.5 Cl1.5 N O4 P3 Ru -","- C195 H182 Cl6 N4 O16 P12 Ru4 -","4","2","","Phanopoulos, Andreas; Brown, Neil J.; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Synthesis, Characterization, and Reactivity of Ruthenium Hydride Complexes of N-Centered Triphosphine Ligands.","Inorganic chemistry","2014","53","7","3742","","10.1021/ic500030k","","","1.54184","CuKα","","0.0447","0.0382","","","0.1002","0.1056","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337915","10.07103","0.0001","21.9377","0.0002","17.91037","0.00017","90","","96.9317","0.0009","90","","3928.11","0.07","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 Cl3 N O P3 Ru -","- C41 H39 Cl3 N O P3 Ru -","- C164 H156 Cl12 N4 O4 P12 Ru4 -","4","1","","Phanopoulos, Andreas; Brown, Neil J.; White, Andrew J. P.; Long, Nicholas J.; Miller, Philip W.","Synthesis, Characterization, and Reactivity of Ruthenium Hydride Complexes of N-Centered Triphosphine Ligands.","Inorganic chemistry","2014","53","7","3742","","10.1021/ic500030k","","","1.54184","CuKα","","0.039","0.0315","","","0.0793","0.084","","","","","","1.041","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337916","8.2054","0.0002","11.419","0.0002","13.0767","0.0009","79.305","0.006","77.099","0.005","76.629","0.005","1150.3","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H31 N3 -","- C27 H31 N3 -","- C54 H62 N6 -","2","1","","Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C.","Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes.","Inorganic chemistry","2014","53","7","3730","","10.1021/ic500012x","","","1.54178","CuKα","","0.0685","0.0459","","","0.1187","0.1639","","","","","","1.177","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337917","11.5323","0.0003","12.9693","0.0003","29.1811","0.0006","90","","94.776","0.002","90","","4349.34","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H58 N3 O2 U -","- C51 H58 N3 O2 U -","- C204 H232 N12 O8 U4 -","4","1","","Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C.","Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes.","Inorganic chemistry","2014","53","7","3730","","10.1021/ic500012x","","","1.54178","CuKα","","0.0355","0.0325","","","0.0858","0.0881","","","","","","1.063","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337918","12.8518","0.0003","15.4726","0.0005","15.675","0.0006","72.608","0.002","73.288","0.002","65.822","0.001","2664.29","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.5 H68.5 I N3 O2 U -","- C58.674 H68.556 I N3 O2 U -","- C117.348 H137.112 I2 N6 O4 U2 -","2","1","","Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C.","Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes.","Inorganic chemistry","2014","53","7","3730","","10.1021/ic500012x","","","0.71073","MoKα","","0.0793","0.0549","","","0.1363","0.1483","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337919","11.6038","0.0006","14.515","0.0005","15.5767","0.0007","75.149","0.003","77.997","0.002","73.826","0.003","2409.06","0.19","150","0.02","150","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C55 H62 I N3 U -","- C55 H62 I N3 U -","- C110 H124 I2 N6 U2 -","2","1","","Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C.","Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes.","Inorganic chemistry","2014","53","7","3730","","10.1021/ic500012x","","","0.71073","MO-Kα","","0.045","0.03","","","0.059","0.063","","","","","","0.991","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4337920","8.4353","0.0007","23.8206","0.0018","20.85","0.0015","90","","94.155","0.006","90","","4178.5","0.6","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 I2 N3 U -","- C41 H46 I2 N3 U -","- C164 H184 I8 N12 U4 -","4","1","","Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C.","Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes.","Inorganic chemistry","2014","53","7","3730","","10.1021/ic500012x","","","1.54184","CU-Kα","","0.082","0.067","","","0.184","0.194","","","","","","1.05","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4337921","26.9579","0.0007","12.369","0.0003","11.8789","0.0002","90","","90","","90","","3960.93","0.16","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H46 I N3 U -","- C37 H46 I N3 U -","- C148 H184 I4 N12 U4 -","4","1","","Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C.","Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes.","Inorganic chemistry","2014","53","7","3730","","10.1021/ic500012x","","","0.71073","MoKα","","0.0832","0.0398","","","0.0615","0.0676","","","","","","1.014","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337922","12.5568","0.0005","13.1001","0.0004","18.1409","0.0006","78.949","0.002","88.801","0.003","84.91","0.003","2917.19","0.18","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H74 N3 O3 U -","- C71 H74 N3 O3 U -","- C142 H148 N6 O6 U2 -","2","1","","Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C.","Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes.","Inorganic chemistry","2014","53","7","3730","","10.1021/ic500012x","","","1.54184","CU-Kα","","0.04","0.039","","","0.103","0.104","","","","","","1.052","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4337923","33.251","0.0016","8.3849","0.0004","27.5427","0.0011","90","","114.731","0.003","90","","6974.8","0.6","260","0.2","260","0.2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H45 U -","- C42 H45 U -","- C336 H360 U8 -","8","1","","Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C.","Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes.","Inorganic chemistry","2014","53","7","3730","","10.1021/ic500012x","","","1.54184","CU-Kα","","0.074","0.066","","","0.179","0.188","","","","","","1.052","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4337924","22.2642","0.0012","24.4304","0.001","12.265","0.0006","90","","90","","90","","6671.2","0.6","150","2","150","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C26 H39 I2 O3 U -","- C26 H39 I2 O3 U -","- C208 H312 I16 O24 U8 -","8","1","","Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C.","Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes.","Inorganic chemistry","2014","53","7","3730","","10.1021/ic500012x","","","1.54178","CuKα","","0.0668","0.0652","","","0.1922","0.1947","","","","","","1.154","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337925","28.0801","0.0019","9.3144","0.0006","9.3565","0.0006","90","","90.104","0.002","90","","2447.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H43 Br N O3 P Zn -","- C19 H43 Br N O3 P Zn -","- C76 H172 Br4 N4 O12 P4 Zn4 -","4","1","","Wang, Chih-Min; Chang, Tsung-Yuan; Chiu, Cheng-Wei; Lin, Hsiu-Mei; Lii, Kwang-Hwa","New Nanostructured Zinc Phosphite Templated by Cetyltrimethylammonium Cations: Synthesis, Crystal Structure, Adsorption, and Photoluminescence Properties.","Inorganic chemistry","2014","53","7","3266","","10.1021/ic500068x","","","0.71073","MoKα","","0.1149","0.0416","","","0.0919","0.1257","","","","","","0.836","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337926","24.5212","0.0015","12.1479","0.0008","7.4313","0.0004","90","","93.329","0.005","90","","2209.9","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Ag N4 O8 Y -","- C24 H12 Ag N4 O8 Y -","- C96 H48 Ag4 N16 O32 Y4 -","4","0.5","","Zhou, Yunshan; Li, Xiaomin; Zhang, Lijuan; Guo, Yan; Shi, Zonghai","3-D Silver(I)-Lanthanide(III) Heterometallic-Organic Frameworks Constructed from 2,2'-Bipyridine-3,3'-dicarboxylic Acid: Synthesis, Structure, Photoluminescence, and Their Remarkable Thermostability.","Inorganic chemistry","2014","53","7","3362","","10.1021/ic402718c","","","0.71073","MoKα","","0.0342","0.0284","","","0.0677","0.07","","","","","","1.053","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337927","24.4855","0.0008","12.136","0.0004","7.4943","0.0003","90","","93.055","0.003","90","","2223.81","0.14","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Ag Eu N4 O8 -","- C24 H12 Ag Eu N4 O8 -","- C96 H48 Ag4 Eu4 N16 O32 -","4","0.5","","Zhou, Yunshan; Li, Xiaomin; Zhang, Lijuan; Guo, Yan; Shi, Zonghai","3-D Silver(I)-Lanthanide(III) Heterometallic-Organic Frameworks Constructed from 2,2'-Bipyridine-3,3'-dicarboxylic Acid: Synthesis, Structure, Photoluminescence, and Their Remarkable Thermostability.","Inorganic chemistry","2014","53","7","3362","","10.1021/ic402718c","","","0.71073","MoKα","","0.0319","0.0283","","","0.0651","0.0671","","","","","","1.059","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337928","24.615","0.005","12.0995","0.0011","7.3686","0.0003","90","","93.35","0.007","90","","2190.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Ag N4 O8 Yb -","- C24 H12 Ag N4 O8 Yb -","- C96 H48 Ag4 N16 O32 Yb4 -","4","0.5","","Zhou, Yunshan; Li, Xiaomin; Zhang, Lijuan; Guo, Yan; Shi, Zonghai","3-D Silver(I)-Lanthanide(III) Heterometallic-Organic Frameworks Constructed from 2,2'-Bipyridine-3,3'-dicarboxylic Acid: Synthesis, Structure, Photoluminescence, and Their Remarkable Thermostability.","Inorganic chemistry","2014","53","7","3362","","10.1021/ic402718c","","","0.71073","MoKα","","0.0237","0.0218","","","0.0485","0.0494","","","","","","1.072","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337929","24.533","0.0012","12.084","0.0006","7.4465","0.0004","90","","93.073","0.004","90","","2204.39","0.19","102","2","102","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Ag N4 O8 Tb -","- C24 H12 Ag N4 O8 Tb -","- C96 H48 Ag4 N16 O32 Tb4 -","4","0.5","","Zhou, Yunshan; Li, Xiaomin; Zhang, Lijuan; Guo, Yan; Shi, Zonghai","3-D Silver(I)-Lanthanide(III) Heterometallic-Organic Frameworks Constructed from 2,2'-Bipyridine-3,3'-dicarboxylic Acid: Synthesis, Structure, Photoluminescence, and Their Remarkable Thermostability.","Inorganic chemistry","2014","53","7","3362","","10.1021/ic402718c","","","0.71073","MoKα","","0.029","0.0263","","","0.0576","0.0592","","","","","","1.035","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337930","24.5101","0.0014","12.1342","0.0011","7.4571","0.0004","90","","93.302","0.005","90","","2214.1","0.3","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Ag Dy N4 O8 -","- C24 H12 Ag Dy N4 O8 -","- C96 H48 Ag4 Dy4 N16 O32 -","4","0.5","","Zhou, Yunshan; Li, Xiaomin; Zhang, Lijuan; Guo, Yan; Shi, Zonghai","3-D Silver(I)-Lanthanide(III) Heterometallic-Organic Frameworks Constructed from 2,2'-Bipyridine-3,3'-dicarboxylic Acid: Synthesis, Structure, Photoluminescence, and Their Remarkable Thermostability.","Inorganic chemistry","2014","53","7","3362","","10.1021/ic402718c","","","1.54184","CuKα","","0.0346","0.0319","","","0.0792","0.0813","","","","","","0.955","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337931","24.5295","0.0008","12.121","0.0005","7.4131","0.0003","90","","93.319","0.003","90","","2200.38","0.15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Ag Er N4 O8 -","- C24 H12 Ag Er N4 O8 -","- C96 H48 Ag4 Er4 N16 O32 -","4","0.5","","Zhou, Yunshan; Li, Xiaomin; Zhang, Lijuan; Guo, Yan; Shi, Zonghai","3-D Silver(I)-Lanthanide(III) Heterometallic-Organic Frameworks Constructed from 2,2'-Bipyridine-3,3'-dicarboxylic Acid: Synthesis, Structure, Photoluminescence, and Their Remarkable Thermostability.","Inorganic chemistry","2014","53","7","3362","","10.1021/ic402718c","","","0.71073","MoKα","","0.0329","0.03","","","0.0611","0.0637","","","","","","1.053","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337932","24.52","0.002","12.1514","0.0007","7.4337","0.0003","90","","93.212","0.004","90","","2211.4","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Ag Ho N4 O8 -","- C24 H12 Ag Ho N4 O8 -","- C96 H48 Ag4 Ho4 N16 O32 -","4","0.5","","Zhou, Yunshan; Li, Xiaomin; Zhang, Lijuan; Guo, Yan; Shi, Zonghai","3-D Silver(I)-Lanthanide(III) Heterometallic-Organic Frameworks Constructed from 2,2'-Bipyridine-3,3'-dicarboxylic Acid: Synthesis, Structure, Photoluminescence, and Their Remarkable Thermostability.","Inorganic chemistry","2014","53","7","3362","","10.1021/ic402718c","","","0.71073","MoKα","","0.0222","0.0211","","","0.0506","0.0513","","","","","","1.083","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337933","18.2317","0.0001","14.4825","0.0001","18.6286","0.0002","90","","94.5","","90","","4903.54","0.07","153","2","153","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C65 Ge N4 O40 V2 W10 -","- C65 Ge N4 O40 V2 W10 -","- C130 Ge2 N8 O80 V4 W20 -","2","1","","Uehara, Kazuhiro; Miyachi, Takuya; Nakajima, Takahito; Mizuno, Noritaka","Effects of Heteroatoms on Electronic States of Divanadium-Substituted γ-Keggin-type Polyoxometalates.","Inorganic chemistry","2014","53","7","3907","","10.1021/ic5005209","","x-ray","0.71069","MoKα","","","0.0388","","","","0.126","","","","","","1.095","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337934","24.5651","0.0002","25.1254","0.0003","17.2009","0.0002","90","","90","","90","","10616.5","0.2","153","2","153","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C66 Ge N4 O40 V2 W10 -","- C66 Ge N4 O40 V2 W10 -","- C264 Ge4 N16 O160 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Nakajima, Takahito; Mizuno, Noritaka","Effects of Heteroatoms on Electronic States of Divanadium-Substituted γ-Keggin-type Polyoxometalates.","Inorganic chemistry","2014","53","7","3907","","10.1021/ic5005209","","x-ray","0.71069","MoKα","","","0.0712","","","","0.1773","","","","","","1.173","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337935","24.5272","0.0011","25.0227","0.0013","17.3856","0.0009","90","","90","","90","","10670.2","0.9","153","2","153","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 Ge N4 O40 V2 W10 -","- C67 Ge N4 O40 V2 W10 -","- C268 Ge4 N16 O160 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Nakajima, Takahito; Mizuno, Noritaka","Effects of Heteroatoms on Electronic States of Divanadium-Substituted γ-Keggin-type Polyoxometalates.","Inorganic chemistry","2014","53","7","3907","","10.1021/ic5005209","","x-ray","0.71069","MoKα","","","0.0819","","","","0.1876","","","","","","1.077","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337936","24.0164","0.0003","30.9323","0.0005","14.7456","0.0002","90","","90","","90","","10954.2","0.3","123","2","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C65 H0 N4 O40 Si V2 W10 -","- C65 N4 O40 Si V2 W10 -","- C260 N16 O160 Si4 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Nakajima, Takahito; Mizuno, Noritaka","Effects of Heteroatoms on Electronic States of Divanadium-Substituted γ-Keggin-type Polyoxometalates.","Inorganic chemistry","2014","53","7","3907","","10.1021/ic5005209","","x-ray","0.71069","MoKα","","","0.0813","","","","0.2053","","","","","","1.079","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337937","24.5529","0.0002","25.1124","0.0002","17.1651","0.0001","90","","90","","90","","10583.7","0.14","123","2","123","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C66 N4 O40 Si V2 W10 -","- C66 N4 O40 Si V2 W10 -","- C264 N16 O160 Si4 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Nakajima, Takahito; Mizuno, Noritaka","Effects of Heteroatoms on Electronic States of Divanadium-Substituted γ-Keggin-type Polyoxometalates.","Inorganic chemistry","2014","53","7","3907","","10.1021/ic5005209","","x-ray","0.71069","MoKα","","","0.0737","","","","0.1559","","","","","","1.192","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337938","24.6549","0.0002","25.1382","0.0002","17.2005","0.0001","90","","90","","90","","10660.5","0.14","153","2","153","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 N4 O40 Si V2 W10 -","- C67 N4 O40 Si V2 W10 -","- C268 N16 O160 Si4 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Nakajima, Takahito; Mizuno, Noritaka","Effects of Heteroatoms on Electronic States of Divanadium-Substituted γ-Keggin-type Polyoxometalates.","Inorganic chemistry","2014","53","7","3907","","10.1021/ic5005209","","x-ray","0.71069","MoKα","","","0.0486","","","","0.1323","","","","","","1.124","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337939","13.065","0.004","13.698","0.004","15.968","0.004","90","","90.385","0.008","90","","2857.6","1.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 N4 Ni O2 S6 -","- C22 H34 N4 Ni O2 S6 -","- C88 H136 N16 Ni4 O8 S24 -","4","1","","Ji, Shu-Fang; Sun, Yong-Gang; Huo, Peng; Shen, Wei-Chun; Huang, Yu-De; Zhu, Qin-Yu; Dai, Jie","Effect of Metal Coordination on Photocurrent Response Properties of a Tetrathiafulvalene Organogel Film.","Inorganic chemistry","2014","53","7","3611","","10.1021/ic403107v","","","0.71075","MoKα","","0.0637","0.0447","","","0.1029","0.1304","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337940","13.661","0.009","15.647","0.01","17.922","0.012","103.56","0.011","112.429","0.015","89.799","0.003","3427","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H41 Cu N5 O3 S6 -","- C25 H39 Cu N5 O3 S6 -","- C100 H156 Cu4 N20 O12 S24 -","4","2","","Ji, Shu-Fang; Sun, Yong-Gang; Huo, Peng; Shen, Wei-Chun; Huang, Yu-De; Zhu, Qin-Yu; Dai, Jie","Effect of Metal Coordination on Photocurrent Response Properties of a Tetrathiafulvalene Organogel Film.","Inorganic chemistry","2014","53","7","3611","","10.1021/ic403107v","","","0.71075","MoKα","","0.1541","0.0905","","","0.1492","0.1702","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337941","11.491","0.002","8.5395","0.0017","28.167","0.006","90","","97.888","0.004","90","","2737.8","0.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl F6 N8 O P Ru -","- C23 H26 Cl F6 N8 O P Ru -","- C92 H104 Cl4 F24 N32 O4 P4 Ru4 -","4","1","","Coe, Benjamin J.; Helliwell, Madeleine; Peers, Martyn K.; Raftery, James; Rusanova, Daniela; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.","Synthesis, Structures, and Optical Properties of Ruthenium(II) Complexes of the Tris(1-pyrazolyl)methane Ligand.","Inorganic chemistry","2014","53","7","3798","","10.1021/ic500145r","","","0.71073","MoKα","","0.1129","0.0554","","","0.0754","0.0887","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337942","16.2895","0.0014","7.7203","0.0007","26.279","0.002","90","","104.064","0.002","90","","3205.8","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Cl F6 N8 O4 P Ru -","- C26 H28 Cl F6 N8 O4 P Ru -","- C104 H112 Cl4 F24 N32 O16 P4 Ru4 -","4","1","","Coe, Benjamin J.; Helliwell, Madeleine; Peers, Martyn K.; Raftery, James; Rusanova, Daniela; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.","Synthesis, Structures, and Optical Properties of Ruthenium(II) Complexes of the Tris(1-pyrazolyl)methane Ligand.","Inorganic chemistry","2014","53","7","3798","","10.1021/ic500145r","","","0.71073","MoKα","","0.1212","0.0871","","","0.1776","0.2022","","","","","","1.282","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337943","22.7148","0.0019","11.6324","0.001","17.5531","0.0015","90","","108.045","0.002","90","","4409.9","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 Cl F18 N10 O P3 Ru -","- C35 H38 Cl F18 N10 O P3 Ru -","- C140 H152 Cl4 F72 N40 O4 P12 Ru4 -","4","1","","Coe, Benjamin J.; Helliwell, Madeleine; Peers, Martyn K.; Raftery, James; Rusanova, Daniela; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.","Synthesis, Structures, and Optical Properties of Ruthenium(II) Complexes of the Tris(1-pyrazolyl)methane Ligand.","Inorganic chemistry","2014","53","7","3798","","10.1021/ic500145r","","","0.71073","MoKα","","0.1245","0.0585","","","0.108","0.1236","","","","","","0.885","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337944","12.3685","0.0003","14.2012","0.0003","18.098","0.0005","74.623","0.002","80.305","0.002","84.128","0.0019","3015.73","0.13","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C56.68 H45.02 F18 La N5.34 O6 -","- C56.68 H45.02 F18 La N5.34 O6 -","- C113.36 H90.04 F36 La2 N10.68 O12 -","2","1","","Babel, Lucille; Hoang, Thi Nhu Y.; Nozary, Homayoun; Salamanca, Jasmina; Guénée, Laure; Piguet, Claude","Lanthanide Loading of Luminescent Multi-Tridentate Polymers under Thermodynamic Control.","Inorganic chemistry","2014","53","7","3568","","10.1021/ic4030525","","","1.54184","CuKα","","0.0539","0.0494","","","0.1333","0.1384","","","","","","1.035","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337945","12.633","0.003","12.633","0.003","25.427","0.007","90","","90","","90","","4058","1.8","100","2","100","2","","","","","","","Cava Lab Princeton University","2","I 41/a c d :2","-I 4bd 2c","142","Cadmium Arsenide","","","- As2 Cd3 -","- As2 Cd3 -","- As64 Cd96 -","32","1","","Ali, Mazhar N.; Gibson, Quinn; Jeon, Sangjun; Zhou, Brian B.; Yazdani, Ali; Cava, R. J.","The Crystal and Electronic Structures of Cd3As2, the Three-Dimensional Electronic Analogue of Graphene.","Inorganic chemistry","2014","53","8","4062","4067","10.1021/ic403163d","","x-ray","0.71073","MoKα","","0.048","","","0.04","","0.0401","","","1.04","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4337946","12.0144","0.0004","16.9892","0.0006","31.2716","0.0013","90","","90","","90","","6383","0.4","150","2","150","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C26 H25 Ag3 Fe N8 O2 -","- C25.99 H12 Ag3 Fe N8 O1.99 -","- C207.92 H96 Ag24 Fe8 N64 O15.92 -","8","1","","Li, Jin-Yan; Yan, Zheng; Ni, Zhao-Ping; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Guest-effected spin-crossover in a novel three-dimensional self-penetrating coordination polymer with permanent porosity.","Inorganic chemistry","2014","53","8","4039","4046","10.1021/ic403069d","","","1.54178","CuKα","","0.1243","0.0948","","","0.2454","0.2657","","","","","","1.108","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337947","12.0015","0.0005","17.0849","0.0008","31.3706","0.0016","90","","90","","90","","6432.4","0.5","180","2","180","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C26 H25 Ag3 Fe N8 O2 -","- C21 H12 Ag3 Fe N7 -","- C168 H96 Ag24 Fe8 N56 -","8","1","","Li, Jin-Yan; Yan, Zheng; Ni, Zhao-Ping; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Guest-effected spin-crossover in a novel three-dimensional self-penetrating coordination polymer with permanent porosity.","Inorganic chemistry","2014","53","8","4039","4046","10.1021/ic403069d","","","1.54178","CuKα","","0.0869","0.0694","","","0.1869","0.1987","","","","","","0.996","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337948","12.0545","0.0004","17.28","0.0006","31.6186","0.0009","90","","90","","90","","6586.2","0.4","180","2","180","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C26 H25 Ag3 Fe N8 O2 -","- C21 H12 Ag3 Fe N7 -","- C168 H96 Ag24 Fe8 N56 -","8","1","","Li, Jin-Yan; Yan, Zheng; Ni, Zhao-Ping; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Guest-effected spin-crossover in a novel three-dimensional self-penetrating coordination polymer with permanent porosity.","Inorganic chemistry","2014","53","8","4039","4046","10.1021/ic403069d","","","1.54178","CuKα","","0.1037","0.0774","","","0.206","0.2231","","","","","","0.919","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337949","8.838","0.002","16.38","0.005","12.421","0.004","90","","108.642","0.004","90","","1703.8","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Ag2 Fe N8 -","- C36 H24 Ag2 Fe N8 -","- C72 H48 Ag4 Fe2 N16 -","2","0.5","","Li, Jin-Yan; Yan, Zheng; Ni, Zhao-Ping; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Guest-effected spin-crossover in a novel three-dimensional self-penetrating coordination polymer with permanent porosity.","Inorganic chemistry","2014","53","8","4039","4046","10.1021/ic403069d","","","0.71073","MoKα","","0.0411","0.0333","","","0.0801","0.0832","","","","","","1.05","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337950","33.123","0.006","29.011","0.005","40.956","0.008","90","","90","","90","","39356","12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C174 H174 Au20 Cl4 P16 -","- C174 H174 Au20 Cl4 P16 -","- C1392 H1392 Au160 Cl32 P128 -","8","1","","Chen, Jing; Zhang, Qian-Fan; Williard, Paul G.; Wang, Lai-Sheng","Synthesis and structure determination of a new au20 nanocluster protected by tripodal tetraphosphine ligands.","Inorganic chemistry","2014","53","8","3932","3934","10.1021/ic500562r","","","0.7749","","","0.0787","0.047","","","0.1219","0.1437","","","","","","1.036","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337951","23.1443","0.0002","29.482","0.003","32.219","0.002","90","","90","","90","","21984","3","100","","100","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C114 H130 Cl6 Dy N16 S8 -","- C114 H130 Cl6 Dy N16 S8 -","- C912 H1040 Cl48 Dy8 N128 S64 -","8","0.25","","Ayhan, Mehmet Menaf; Singh, Anu; Jeanneau, Erwann; Ahsen, Vefa; Zyss, Joseph; Ledoux-Rak, Isabelle; Gürek, Ayşe Gül; Hirel, Catherine; Bretonnière, Yann; Andraud, Chantal","ABAB Homoleptic Bis(phthalocyaninato)lanthanide(III) Complexes: Original Octupolar Design Leading to Giant Quadratic Hyperpolarizability.","Inorganic chemistry","2014","53","9","4359","4370","10.1021/ic4031188","","","0.7107","MoKα","","0.0675","0.0545","","0.1269","0.108","0.1269","","","","","","0.9351","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337952","23.186","0.001","29.276","0.002","32.081","0.002","90","","90","","90","","21776","2","100","","100","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C114 H130 Cl6 N16 S8 Y -","- C114 H130 Cl6 N16 S8 Y -","- C912 H1040 Cl48 N128 S64 Y8 -","8","0.25","","Ayhan, Mehmet Menaf; Singh, Anu; Jeanneau, Erwann; Ahsen, Vefa; Zyss, Joseph; Ledoux-Rak, Isabelle; Gürek, Ayşe Gül; Hirel, Catherine; Bretonnière, Yann; Andraud, Chantal","ABAB Homoleptic Bis(phthalocyaninato)lanthanide(III) Complexes: Original Octupolar Design Leading to Giant Quadratic Hyperpolarizability.","Inorganic chemistry","2014","53","9","4359","4370","10.1021/ic4031188","","","0.7107","MoKα","","0.0976","0.0788","","0.2229","0.1739","0.2229","","","","","","0.9887","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337953","23.275","0.001","29.404","0.001","32.015","0.002","90","","90","","90","","21910.4","1.8","100","","100","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C114 H130 Cl6 N16 Nd S8 -","- C114 H130 Cl6 N16 Nd S8 -","- C912 H1040 Cl48 N128 Nd8 S64 -","8","0.25","","Ayhan, Mehmet Menaf; Singh, Anu; Jeanneau, Erwann; Ahsen, Vefa; Zyss, Joseph; Ledoux-Rak, Isabelle; Gürek, Ayşe Gül; Hirel, Catherine; Bretonnière, Yann; Andraud, Chantal","ABAB Homoleptic Bis(phthalocyaninato)lanthanide(III) Complexes: Original Octupolar Design Leading to Giant Quadratic Hyperpolarizability.","Inorganic chemistry","2014","53","9","4359","4370","10.1021/ic4031188","","","0.7107","MoKα","","0.1007","0.0864","","0.2057","0.1748","0.2057","","","","","","0.8431","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337954","23.289","0.001","29.342","0.002","31.977","0.001","90","","90","","90","","21851.3","1.9","100","","100","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C114 H130 Cl6 Eu N16 S8 -","- C114 H130 Cl6 Eu N16 S8 -","- C912 H1040 Cl48 Eu8 N128 S64 -","8","0.25","","Ayhan, Mehmet Menaf; Singh, Anu; Jeanneau, Erwann; Ahsen, Vefa; Zyss, Joseph; Ledoux-Rak, Isabelle; Gürek, Ayşe Gül; Hirel, Catherine; Bretonnière, Yann; Andraud, Chantal","ABAB Homoleptic Bis(phthalocyaninato)lanthanide(III) Complexes: Original Octupolar Design Leading to Giant Quadratic Hyperpolarizability.","Inorganic chemistry","2014","53","9","4359","4370","10.1021/ic4031188","","","0.7107","MoKα","","0.0798","0.0665","","0.1272","0.1096","0.1272","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337955","5.7771","0.0002","8.1522","0.0003","17.5012","0.0007","90","","90.451","0.001","90","","824.21","0.05","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H8 Cu N2 O6 V2 -","- C2 H8 Cu N2 O6 V2 -","- C8 H32 Cu4 N8 O24 V8 -","4","1","","Dong, Huan; Hu, Hailiang; Liu, Yang; Zhong, Jun; Zhang, Guangju; Zhao, Fangfang; Sun, Xuhui; Li, Youyong; Kang, Zhenhui","Obtaining Chiral Metal-Organic Frameworks via a Prochirality Synthetic Strategy with Achiral Ligands Step-by-Step.","Inorganic chemistry","2014","53","7","3434","","10.1021/ic402867x","","","0.71073","MoKα","","0.0207","0.0189","","","0.0492","0.0506","","","","","","1.116","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337956","10.6943","0.0017","11.6521","0.0019","12.834","0.002","90","","90","","90","","1599.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Cu N6 O6 V2 -","- C8 H16 Cu N6 O6 V2 -","- C32 H64 Cu4 N24 O24 V8 -","4","1","","Dong, Huan; Hu, Hailiang; Liu, Yang; Zhong, Jun; Zhang, Guangju; Zhao, Fangfang; Sun, Xuhui; Li, Youyong; Kang, Zhenhui","Obtaining Chiral Metal-Organic Frameworks via a Prochirality Synthetic Strategy with Achiral Ligands Step-by-Step.","Inorganic chemistry","2014","53","7","3434","","10.1021/ic402867x","","","0.71073","MoKα","","0.0288","0.0241","","","0.0486","0.0501","","","","","","0.967","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337957","10.682","0.0007","11.6044","0.0007","12.6888","0.0008","90","","90","","90","","1572.88","0.17","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Cu N6 O6 V2 -","- C8 H16 Cu N6 O6 V2 -","- C32 H64 Cu4 N24 O24 V8 -","4","1","","Dong, Huan; Hu, Hailiang; Liu, Yang; Zhong, Jun; Zhang, Guangju; Zhao, Fangfang; Sun, Xuhui; Li, Youyong; Kang, Zhenhui","Obtaining Chiral Metal-Organic Frameworks via a Prochirality Synthetic Strategy with Achiral Ligands Step-by-Step.","Inorganic chemistry","2014","53","7","3434","","10.1021/ic402867x","","","0.71073","MoKα","","0.0173","0.0161","","","0.0396","0.0399","","","","","","1.011","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337958","7.6455","0.0004","14.2669","0.0008","14.201","0.0008","90","","99.596","0.003","90","","1527.34","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cl5 Ga N P -","- C6 H14 Cl5 Ga N P -","- C24 H56 Cl20 Ga4 N4 P4 -","4","1","","Hering, Christian; Hertrich, Maximilian; Schulz, Axel; Villinger, Alexander","Azidophosphenium Cations: Versatile Reagents in Inorganic Synthesis.","Inorganic chemistry","2014","53","7","3880","","10.1021/ic500332s","","","0.71073","MoKα","","0.099","0.0392","","","0.0579","0.0736","","","","","","0.998","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337959","27.5006","0.0006","10.367","0.0002","11.8807","0.0003","90","","113.032","0.001","90","","3117.17","0.12","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diisopropylaminoazidophosphenium tetrachloridogallate","","- C6 H14 Cl4 Ga N4 P -","- C6 H14 Cl4 Ga N4 P -","- C48 H112 Cl32 Ga8 N32 P8 -","8","1","","Hering, Christian; Hertrich, Maximilian; Schulz, Axel; Villinger, Alexander","Azidophosphenium Cations: Versatile Reagents in Inorganic Synthesis.","Inorganic chemistry","2014","53","7","3880","","10.1021/ic500332s","","","0.71073","MoKα","","0.0376","0.0242","","","0.0557","0.0613","","","","","","1.029","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337960","13.0816","0.0003","11.9343","0.0003","31.5103","0.0008","90","","90.949","0.001","90","","4918.7","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl6 Ga N3 P2 -","- C12 H28 Cl6 Ga N3 P2 -","- C96 H224 Cl48 Ga8 N24 P16 -","8","2","","Hering, Christian; Hertrich, Maximilian; Schulz, Axel; Villinger, Alexander","Azidophosphenium Cations: Versatile Reagents in Inorganic Synthesis.","Inorganic chemistry","2014","53","7","3880","","10.1021/ic500332s","","","0.71073","MoKα","","0.1181","0.0427","","","0.0719","0.0889","","","","","","1.002","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337961","9.08","0.0007","26.0437","0.0018","12.1092","0.0009","90","","95.938","0.003","90","","2848.2","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Cl6 Ga N3 P2 Si2 -","- C12 H32 Cl6 Ga N3 P2 Si2 -","- C48 H128 Cl24 Ga4 N12 P8 Si8 -","4","1","","Hering, Christian; Hertrich, Maximilian; Schulz, Axel; Villinger, Alexander","Azidophosphenium Cations: Versatile Reagents in Inorganic Synthesis.","Inorganic chemistry","2014","53","7","3880","","10.1021/ic500332s","","","0.71073","MoKα","","0.103","0.0498","","","0.0898","0.105","","","","","","1.013","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337962","7.5887","0.0007","12.6369","0.0012","10.2193","0.001","90","","92.224","0.006","90","","979.27","0.16","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H28 Cl3 N3 P2 -","- C12 H28 Cl3 N3 P2 -","- C24 H56 Cl6 N6 P4 -","2","1","","Hering, Christian; Hertrich, Maximilian; Schulz, Axel; Villinger, Alexander","Azidophosphenium Cations: Versatile Reagents in Inorganic Synthesis.","Inorganic chemistry","2014","53","7","3880","","10.1021/ic500332s","","","0.71073","MoKα","","0.0953","0.0518","","","0.0763","0.0902","","","","","","1.025","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337963","9.992","0.0006","23.5175","0.0015","12.8529","0.0008","90","","93.526","0.003","90","","3014.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 Cl6 Ga N3 P2 -","- C18 H38 Cl6 Ga N3 P2 -","- C72 H152 Cl24 Ga4 N12 P8 -","4","1","","Hering, Christian; Hertrich, Maximilian; Schulz, Axel; Villinger, Alexander","Azidophosphenium Cations: Versatile Reagents in Inorganic Synthesis.","Inorganic chemistry","2014","53","7","3880","","10.1021/ic500332s","","","0.71073","MoKα","","0.1075","0.0477","","","0.1054","0.1253","","","","","","1.032","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337964","16.1569","0.0008","16.6106","0.0008","17.3001","0.0008","90","","90","","90","","4642.9","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H18 Cl7 Ga2 N3 P2 Si2 -","- C6 H18 Cl7 Ga2 N3 P2 Si2 -","- C48 H144 Cl56 Ga16 N24 P16 Si16 -","8","1","","Hering, Christian; Hertrich, Maximilian; Schulz, Axel; Villinger, Alexander","Azidophosphenium Cations: Versatile Reagents in Inorganic Synthesis.","Inorganic chemistry","2014","53","7","3880","","10.1021/ic500332s","","","0.71073","MoKα","","0.0664","0.0328","","","0.0612","0.0671","","","","","","1.009","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337965","19.3622","0.0014","10.609","0.0009","32.315","0.002","90","","96.085","0.002","90","","6600.5","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H48 Cl5 Ga N2 P2 -","- C24.5 H48 Cl5 Ga N2 P2 -","- C196 H384 Cl40 Ga8 N16 P16 -","8","2","","Hering, Christian; Hertrich, Maximilian; Schulz, Axel; Villinger, Alexander","Azidophosphenium Cations: Versatile Reagents in Inorganic Synthesis.","Inorganic chemistry","2014","53","7","3880","","10.1021/ic500332s","","","0.71073","MoKα","","0.1328","0.0545","","","0.1157","0.1476","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337966","8.6326","0.0004","21.8911","0.0009","11.364","0.0005","90","","91.592","0.001","90","","2146.71","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 Cl3 Ga P -","- C18 H33 Cl3 Ga P -","- C72 H132 Cl12 Ga4 P4 -","4","1","","Hering, Christian; Hertrich, Maximilian; Schulz, Axel; Villinger, Alexander","Azidophosphenium Cations: Versatile Reagents in Inorganic Synthesis.","Inorganic chemistry","2014","53","7","3880","","10.1021/ic500332s","","","0.71073","MoKα","","0.0555","0.0335","","","0.0669","0.0706","","","","","","0.938","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337967","6.3996","0.0005","11.0092","0.0009","7.7964","0.0006","90","","98.145","0.004","90","","543.75","0.07","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H14 Cl1.21 N3.38 P -","- C6 H14 Cl1.208 N3.376 P -","- C12 H28 Cl2.416 N6.752 P2 -","2","0.5","","Hering, Christian; Hertrich, Maximilian; Schulz, Axel; Villinger, Alexander","Azidophosphenium Cations: Versatile Reagents in Inorganic Synthesis.","Inorganic chemistry","2014","53","7","3880","","10.1021/ic500332s","","","0.71073","MoKα","","0.0835","0.0468","","","0.097","0.1112","","","","","","1.037","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337968","18.906","0.005","8.834","0.003","12.665","0.004","90","","103.995","0.003","90","","2052.5","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H12 Br3 Cu N -","- C5 H12 Br3 Cu N -","- C40 H96 Br24 Cu8 N8 -","8","1","","Pan, Bingying; Wang, Yang; Zhang, Lijuan; Li, Shiyan","Structure and Thermodynamic Properties of (C5H12N)CuBr3: A New Weakly Coupled Antiferromagnetic Spin-1/2 Chain Complex Lying in the 1D-3D Dimensional Cross-Over Regime.","Inorganic chemistry","2014","53","7","3606","","10.1021/ic403100h","","","0.71073","MoKα","","0.0365","0.0296","","","0.0711","0.0811","","","","","","1.175","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337969","13.972","0.005","15.262","0.005","20.028","0.005","95.272","0.005","95.905","0.005","111.219","0.005","3922","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H67 Gd4 N21 O29 -","- C61 H67 Gd4 N21 O29 -","- C122 H134 Gd8 N42 O58 -","2","1","","Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli","Tetranuclear Lanthanide(III) Complexes in a Seesaw Geometry: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2014","53","7","3385","","10.1021/ic4027915","","","0.71069","MoKα","","0.0438","0.0332","","","0.0752","0.0802","","","","","","1.062","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337970","13.966","0.005","15.284","0.005","19.802","0.005","95.728","0.005","95.302","0.005","111.289","0.005","3881","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H63 N21 O29 Tb4 -","- C60 H63 N21 O29 Tb4 -","- C120 H126 N42 O58 Tb8 -","2","1","","Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli","Tetranuclear Lanthanide(III) Complexes in a Seesaw Geometry: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2014","53","7","3385","","10.1021/ic4027915","","","0.71069","MoKα","","0.0874","0.0531","","","0.1205","0.1375","","","","","","1.025","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337971","13.995","0.005","15.264","0.005","19.91","0.005","96.262","0.005","94.902","0.005","111.33","0.005","3902","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H69 Dy4 N23 O27 -","- C64 H69 Dy4 N23 O27 -","- C128 H138 Dy8 N46 O54 -","2","1","","Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli","Tetranuclear Lanthanide(III) Complexes in a Seesaw Geometry: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2014","53","7","3385","","10.1021/ic4027915","","","0.71069","MoKα","","0.0507","0.0321","","","0.0681","0.0747","","","","","","1.023","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337972","14.239","0.005","14.396","0.005","21.642","0.005","99.618","0.005","104.751","0.005","108.128","0.005","3928","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H51 Ho4 N18 O28 -","- C54 H51 Ho4 N18 O28 -","- C108 H102 Ho8 N36 O56 -","2","1","","Goura, Joydeb; Walsh, James P. S.; Tuna, Floriana; Chandrasekhar, Vadapalli","Tetranuclear Lanthanide(III) Complexes in a Seesaw Geometry: Synthesis, Structure, and Magnetism.","Inorganic chemistry","2014","53","7","3385","","10.1021/ic4027915","","","0.71069","MoKα","","0.1475","0.128","","","0.3487","0.3583","","","","","","1.065","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337973","8.486","0.006","13.191","0.01","14.67","0.011","98.879","0.009","100.701","0.009","91.722","0.009","1591","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H16 Co6 N O14 -","- C25 H16 Co6 N O14 -","- C50 H32 Co12 N2 O28 -","2","1","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano","The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.","Inorganic chemistry","2014","53","7","3818","","10.1021/ic500161e","","","0.71073","MoKα","","0.0756","0.0402","","","0.0655","0.0785","","","","","","0.959","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337974","8.6041","0.0003","8.6041","0.0003","42.833","0.003","90","","90","","90","","3170.9","0.3","293","2","293","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C23 H20 Co6 N O14 -","- C23 H20 Co6 N O14 -","- C92 H80 Co24 N4 O56 -","4","0.5","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano","The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.","Inorganic chemistry","2014","53","7","3818","","10.1021/ic500161e","","","0.71073","MoKα","","0.0862","0.0413","","","0.0555","0.0667","","","","","","0.977","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337975","21.669","0.004","11.2475","0.0019","43.857","0.009","90","","102.462","0.002","90","","10437","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H32 Co11 N2 O23 -","- C45 H32 Co11 N2 O23 -","- C360 H256 Co88 N16 O184 -","8","1","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano","The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.","Inorganic chemistry","2014","53","7","3818","","10.1021/ic500161e","","","0.71073","MoKα","","0.0748","0.0666","","","0.1527","0.1564","","","","","","1.144","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337976","9.982","0.001","24.042","0.002","24.415","0.002","106.945","0.001","97.088","0.001","90.843","0.001","5554.1","0.9","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C45.25 H32.5 Cl0.5 Co11 N2 O23 -","- C45.25 H32.5 Cl0.5 Co11 N2 O23 -","- C181 H130 Cl2 Co44 N8 O92 -","4","2","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano","The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.","Inorganic chemistry","2014","53","7","3818","","10.1021/ic500161e","","","0.71073","MoKα","","0.1136","0.0474","","","0.0818","0.1027","","","","","","0.97","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337977","45.53","0.013","9.782","0.003","12.033","0.003","90","","90","","90","","5359","3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C41 H40 Co11 N2 O23 -","- C41 H40 Co11 N2 O23 -","- C164 H160 Co44 N8 O92 -","4","1","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano","The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.","Inorganic chemistry","2014","53","7","3818","","10.1021/ic500161e","","","0.71073","MoKα","","0.1211","0.0869","","","0.2148","0.2467","","","","","","1.01","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337978","9.79","0.003","12.275","0.004","37.754","0.012","90","","90.568","0.004","90","","4537","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H16 Co11 N O23 -","- C35 H16 Co11 N O23 -","- C140 H64 Co44 N4 O92 -","4","1","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano","The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.","Inorganic chemistry","2014","53","7","3818","","10.1021/ic500161e","","","0.71073","MoKα","","0.0884","0.0822","","","0.2402","0.2494","","","","","","1.033","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337979","11.6783","0.0007","14.6091","0.0009","15.2432","0.0016","102.609","0.001","95.451","0.001","110.243","0.001","2339.5","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H17 Cl Co11 N O23 -","- C35.5 H17 Cl Co11 N O23 -","- C71 H34 Cl2 Co22 N2 O46 -","2","1","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano","The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.","Inorganic chemistry","2014","53","7","3818","","10.1021/ic500161e","","","0.71073","MoKα","","0.0806","0.0686","","","0.2102","0.2249","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4337980","10.0609","0.0014","11.8203","0.0017","17.039","0.002","90","","105.387","0.002","90","","1953.7","0.5","295","2","295","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C36 H20 Co8 O15 -","- C36 H20 Co8 O15 -","- C72 H40 Co16 O30 -","2","0.5","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano","The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.","Inorganic chemistry","2014","53","7","3818","","10.1021/ic500161e","","","0.71073","MoKα","","0.0408","0.0332","","","0.0877","0.092","","","","","","1.062","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337981","12.2252","0.0014","17.194","0.002","23.594","0.003","90","","91.873","0.001","90","","4956.8","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H32 Co10 N2 O21 -","- C43 H32 Co10 N2 O21 -","- C172 H128 Co40 N8 O84 -","4","0.5","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano","The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.","Inorganic chemistry","2014","53","7","3818","","10.1021/ic500161e","","","0.71073","MoKα","","0.0755","0.0596","","","0.1502","0.1601","","","","","","1.151","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337982","41.486","0.003","15.5536","0.0011","20.7702","0.0014","90","","90","","90","","13402.1","1.6","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C54 H72 Co11 N3 O24 -","- C54 H72 Co11 N3 O24 -","- C432 H576 Co88 N24 O192 -","8","1","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano","The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.","Inorganic chemistry","2014","53","7","3818","","10.1021/ic500161e","","","0.71073","MoKα","","0.1042","0.0558","","","0.1253","0.1493","","","","","","1.153","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337983","14.6212","0.0011","17.7645","0.0013","24.2184","0.0017","90","","93.574","0.001","90","","6278.2","0.8","289","2","289","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H64 Co8 N4 O17 -","- C58 H64 Co8 N4 O17 -","- C232 H256 Co32 N16 O68 -","4","1","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano","The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.","Inorganic chemistry","2014","53","7","3818","","10.1021/ic500161e","","","0.71073","MoKα","","0.1219","0.0722","","","0.1882","0.2315","","","","","","1.011","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337984","20.694","0.015","20.694","0.015","23.638","0.017","90","","90","","120","","8767","11","294","2","294","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C51 H60 Co6 N7 O12 -","- C50.98 H59.97 Co6 N6.99 O12 -","- C305.88 H359.82 Co36 N41.94 O72 -","6","0.333333","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano","The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.","Inorganic chemistry","2014","53","7","3818","","10.1021/ic500161e","","","0.71073","MoKα","","0.0414","0.0291","","","0.0709","0.0782","","","","","","1.063","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337985","40.11","0.003","11.7289","0.0007","33.545","0.002","90","","109.809","0.001","90","","14847.3","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H60 Co7 N3 O15 -","- C40 H60 Co7 N3 O15 -","- C480 H720 Co84 N36 O180 -","12","1.5","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano","The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.","Inorganic chemistry","2014","53","7","3818","","10.1021/ic500161e","","","0.71073","MoKα","","0.1136","0.0738","","","0.2063","0.2419","","","","","","1.022","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337986","15.0299","0.0004","21.7036","0.0007","24.4704","0.0006","90","","90","","90","","7982.3","0.4","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C65 H97 F N2 O19 P4 S3 Zn4 -","- C65 H97 F N2 O19 P4 S3 Zn4 -","- C260 H388 F4 N8 O76 P16 S12 Zn16 -","4","1","","Kalita, Alok Ch; Murugavel, Ramaswamy","Fluoride Ion Sensing and Caging by a Preformed Molecular D4R Zinc Phosphate Heterocubane.","Inorganic chemistry","2014","53","7","3345","","10.1021/ic500193n","","","0.71073","MoKα","","0.0835","0.0423","","","0.0789","0.0842","","","","","","0.822","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337987","21.48","0.02","15.268","0.017","31.93","0.04","90","","97.689","0.012","90","","10378","2","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C72 H98 F I N4 O18 P4 Zn4 -","- C72 H96 F I N4 O18 P4 Zn4 -","- C288 H384 F4 I4 N16 O72 P16 Zn16 -","4","1","","Kalita, Alok Ch; Murugavel, Ramaswamy","Fluoride Ion Sensing and Caging by a Preformed Molecular D4R Zinc Phosphate Heterocubane.","Inorganic chemistry","2014","53","7","3345","","10.1021/ic500193n","","","0.71075","MoKα","","0.1669","0.1318","","","0.3408","0.3713","","","","","","1.084","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337988","21.118","0.0016","15.0644","0.001","31.417","0.004","90","","97.306","0.01","90","","9913.5","1.6","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C72 H98 B F5 N4 O18 P4 Zn4 -","- C72 H96 F N4 O18 P4 Zn4 -","- C288 H384 F4 N16 O72 P16 Zn16 -","4","1","","Kalita, Alok Ch; Murugavel, Ramaswamy","Fluoride Ion Sensing and Caging by a Preformed Molecular D4R Zinc Phosphate Heterocubane.","Inorganic chemistry","2014","53","7","3345","","10.1021/ic500193n","","","0.71073","MoKα","","0.1579","0.0631","","","0.1335","0.1463","","","","","","0.686","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337989","11.8665","0.0004","24.5917","0.0007","15.8557","0.0007","90","","103.382","0.004","90","","4501.3","0.3","100","0.2","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H80 N8 O23 P2 Pt2 S4 -","- C76 H80 N8 O23 P2 Pt2 S4 -","- C152 H160 N16 O46 P4 Pt4 S8 -","2","0.5","","Lo, Warrick K. C.; Cavigliasso, Germán; Stranger, Robert; Crowley, James D.; Blackman, Allan G.","Five-Coordinate [Pt(II)(bipyridine)2(phosphine)](n+) Complexes: Long-Lived Intermediates in Ligand Substitution Reactions of [Pt(bipyridine)2](2+) with Phosphine Ligands.","Inorganic chemistry","2014","53","7","3595","","10.1021/ic403089j","","","0.7107","MoKα","","0.1033","0.0836","","","0.2181","0.2358","","","","","","1.08","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337990","10.4219","0.0002","25.1945","0.0006","18.9236","0.0004","90","","93.356","0.002","90","","4960.33","0.18","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H90 Cl4 N4 O17 P4 Pt2 -","- C98 H90 Cl4 N4 O17 P4 Pt2 -","- C196 H180 Cl8 N8 O34 P8 Pt4 -","2","0.5","","Lo, Warrick K. C.; Cavigliasso, Germán; Stranger, Robert; Crowley, James D.; Blackman, Allan G.","Five-Coordinate [Pt(II)(bipyridine)2(phosphine)](n+) Complexes: Long-Lived Intermediates in Ligand Substitution Reactions of [Pt(bipyridine)2](2+) with Phosphine Ligands.","Inorganic chemistry","2014","53","7","3595","","10.1021/ic403089j","","","0.7107","MoKα","","0.0382","0.034","","","0.0873","0.0897","","","","","","1.072","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337991","14.6903","0.0002","16.3775","0.0002","23.1011","0.0004","92.731","0.001","107.447","0.001","114.682","0.002","4721.05","0.15","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.75 H94.75 Al3 F12 O28 P6 Si10 -","- C40.75 H93.75 Al3 F12 O28 P6 Si10 -","- C81.5 H187.5 Al6 F24 O56 P12 Si20 -","2","1","","Chyba, Jan; Moravec, Zdenek; Necas, Marek; Mathur, Sanjay; Pinkas, Jiri","Construction of Larger Molecular Aluminophosphate Cages from the Cyclic Four-Ring Building Unit.","Inorganic chemistry","2014","53","7","3753","","10.1021/ic500083a","","","0.71073","MoKα","","0.099","0.0687","","","0.2212","0.234","","","","","","1.064","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337992","17.207","0.002","21.72","0.003","21.77","0.003","90","","91.442","0.013","90","","8133.7","1.8","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H86 Al3 F12 O24 P5 Si9 -","- C38 H86 Al3 F12 O24 P5 Si9 -","- C152 H344 Al12 F48 O96 P20 Si36 -","4","1","","Chyba, Jan; Moravec, Zdenek; Necas, Marek; Mathur, Sanjay; Pinkas, Jiri","Construction of Larger Molecular Aluminophosphate Cages from the Cyclic Four-Ring Building Unit.","Inorganic chemistry","2014","53","7","3753","","10.1021/ic500083a","","","0.71073","MoKα","","0.0654","0.0448","","","0.1228","0.1331","","","","","","1.075","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337993","13.9324","0.0003","16.0191","0.0004","16.7797","0.0005","81.927","0.002","77.855","0.002","77.631","0.002","3558.29","0.16","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H168 Al6 F12 O46 P10 Si16 -","- C68 H168 Al6 F12 O46 P10 Si16 -","- C68 H168 Al6 F12 O46 P10 Si16 -","1","0.5","","Chyba, Jan; Moravec, Zdenek; Necas, Marek; Mathur, Sanjay; Pinkas, Jiri","Construction of Larger Molecular Aluminophosphate Cages from the Cyclic Four-Ring Building Unit.","Inorganic chemistry","2014","53","7","3753","","10.1021/ic500083a","","","0.71073","MoKα","","0.0976","0.0539","","","0.1439","0.1739","","","","","","1.058","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337994","8.5098","0.001","10.6686","0.001","10.8765","0.0017","98.789","0.014","112.477","0.012","107.401","0.009","829.8","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H52 Al2 O6 P2 Si2 -","- C22 H52 Al2 O6 P2 Si2 -","- C22 H52 Al2 O6 P2 Si2 -","1","0.5","","Chyba, Jan; Moravec, Zdenek; Necas, Marek; Mathur, Sanjay; Pinkas, Jiri","Construction of Larger Molecular Aluminophosphate Cages from the Cyclic Four-Ring Building Unit.","Inorganic chemistry","2014","53","7","3753","","10.1021/ic500083a","","","0.71073","MoKα","","0.0803","0.0457","","","0.1132","0.1227","","","","","","0.979","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337995","13.964","0.0004","17.0083","0.0008","17.412","0.0007","61.565","0.003","83.837","0.003","79.157","0.004","3570.8","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H164 Al6 O44 P10 Si16 -","- C60 H164 Al6 O44 P10 Si16 -","- C60 H164 Al6 O44 P10 Si16 -","1","0.5","","Chyba, Jan; Moravec, Zdenek; Necas, Marek; Mathur, Sanjay; Pinkas, Jiri","Construction of Larger Molecular Aluminophosphate Cages from the Cyclic Four-Ring Building Unit.","Inorganic chemistry","2014","53","7","3753","","10.1021/ic500083a","","","0.71073","MoKα","","0.105","0.0702","","","0.229","0.2409","","","","","","1.04","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337996","10.016","0.002","11.514","0.002","23.409","0.005","85.85","0.003","79.514","0.003","72.24","0.003","2527.6","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H33 B2 Br8 Cl2 F7 N5 -","- C46 H33 B2 Br8 Cl2 F7 N5 -","- C92 H66 B4 Br16 Cl4 F14 N10 -","2","1","","Albrett, Amelia M.; Thomas, Kolle E.; Maslek, Stefanie; Młodzianowska, Anna; Conradie, Jeanet; Beavers, Christine M.; Ghosh, Abhik; Brothers, Penelope J.","Mono- and diboron corroles: factors controlling stoichiometry and hydrolytic reactivity.","Inorganic chemistry","2014","53","11","5486","5493","10.1021/ic500114k","","","0.7749","synchrotron","","0.0848","0.0644","","","0.1632","0.1747","","","","","","1.037","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337997","16.2254","0.0007","16.5881","0.0007","20.7891","0.0008","90","","101.999","0.001","90","","5473.1","0.4","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H52 Cl8 Co3 N10 -","- C39 H52 Cl8 Co3 N10 -","- C156 H208 Cl32 Co12 N40 -","4","0.5","","Hui, Alice K.; Cook, Brian J.; Mindiola, Daniel J.; Caulton, Kenneth G.","Transition Metal Chlorides Are Lewis Acids toward Terminal Chloride Attached to Late Transition Metals.","Inorganic chemistry","2014","53","7","3307","","10.1021/ic402107z","","","0.71073","MoKα","","0.0578","0.0468","","","0.141","0.1515","","","","","","1.085","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337998","9.0226","0.0004","29.2686","0.0012","14.6157","0.0006","90","","92.414","0.001","90","","3856.3","0.3","95","","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl6 Cu3 N20 -","- C26 H24 Cl6 Cu3 N20 -","- C104 H96 Cl24 Cu12 N80 -","4","1","","Hui, Alice K.; Cook, Brian J.; Mindiola, Daniel J.; Caulton, Kenneth G.","Transition Metal Chlorides Are Lewis Acids toward Terminal Chloride Attached to Late Transition Metals.","Inorganic chemistry","2014","53","7","3307","","10.1021/ic402107z","","","0.41328","Synchrotron","","0.0908","0.0455","","","0.0947","0.1127","","","","","","0.999","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337999","9.7687","0.0005","9.8146","0.0005","10.5982","0.0005","89.256","0.003","73.098","0.003","73.041","0.003","927.07","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Cu2 Mo4 N4 O13 -","- C8 H8 Cu2 Mo4 N4 O13 -","- C16 H16 Cu4 Mo8 N8 O26 -","2","1","","Luo, Lan; Lin, Haisheng; Li, Le; Smirnova, Tatyana I.; Maggard, Paul A.","Copper-Organic/Octamolybdates: Structures, Bandgap Sizes, and Photocatalytic Activities.","Inorganic chemistry","2014","53","7","3464","","10.1021/ic402910a","","","0.71073","MoKα","","0.0665","0.0385","","","0.0861","0.0962","","","","","","0.973","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338000","18.685","0.003","10.6119","0.0012","12.2994","0.0016","90","","90","","90","","2438.8","0.6","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","LiN(C6F5)(C4F9)","Lithium-(pentafluorophenyl)(nonafluoro-tert-butyl)amide","","- C10 F14 Li N -","- C10 F14 Li N -","- C80 F112 Li8 N8 -","8","1","","Kögel, Julius F; Finger, Lars H.; Frank, Nicolas; Sundermeyer, Jörg","The New NH-Acid HN(C6F5)(C(CF3)3) and Its Crystalline and Volatile Alkaline and Earth Alkaline Metal Salts.","Inorganic chemistry","2014","53","7","3839","","10.1021/ic5001717","","","0.71073","MoKα","","0.1777","0.0417","","","0.054","0.0727","","","","","","0.488","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338001","6.9421","0.0005","9.874","0.0006","10.4269","0.0006","64.098","0.0017","75.0294","0.0019","74.61","0.002","611.46","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","NaN(C6F5)(C4F9)","Sodium-(pentafluorophenyl)(nonafluoro-tert-butyl)amide","","- C10 F14 N Na -","- C10 F14 N Na -","- C20 F28 N2 Na2 -","2","1","","Kögel, Julius F; Finger, Lars H.; Frank, Nicolas; Sundermeyer, Jörg","The New NH-Acid HN(C6F5)(C(CF3)3) and Its Crystalline and Volatile Alkaline and Earth Alkaline Metal Salts.","Inorganic chemistry","2014","53","7","3839","","10.1021/ic5001717","","","0.71073","MoKα","","0.0416","0.035","","","0.0907","0.0956","","","","","","1.059","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338002","15.993","0.0005","13.9077","0.0006","11.7967","0.0004","90","","95.485","0.003","90","","2611.88","0.17","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","KN(C6F5)(C4F9)","Potassium-(pentafluorophenyl)(nonafluoro-tert-butyl)amide","","- C10 F14 K N -","- C10 F14 K N -","- C80 F112 K8 N8 -","8","1","","Kögel, Julius F; Finger, Lars H.; Frank, Nicolas; Sundermeyer, Jörg","The New NH-Acid HN(C6F5)(C(CF3)3) and Its Crystalline and Volatile Alkaline and Earth Alkaline Metal Salts.","Inorganic chemistry","2014","53","7","3839","","10.1021/ic5001717","","","0.71073","MoKα","","0.0248","0.0214","","","0.0527","0.0537","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338003","10.0049","0.0009","20.86","0.002","10.331","0.001","90","","112.852","0.003","90","","1986.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","CsN(C6F5)(C4F9)","Cesium-(pentafluorophenyl)(nonafluoro-tert-butyl)amide","","- C17 H8 Cs F14 N -","- C17 H8 Cs F14 N -","- C68 H32 Cs4 F56 N4 -","4","1","","Kögel, Julius F; Finger, Lars H.; Frank, Nicolas; Sundermeyer, Jörg","The New NH-Acid HN(C6F5)(C(CF3)3) and Its Crystalline and Volatile Alkaline and Earth Alkaline Metal Salts.","Inorganic chemistry","2014","53","7","3839","","10.1021/ic5001717","","","0.71073","MoKα","","0.031","0.0235","","","0.0582","0.0704","","","","","","1.203","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338004","6.785","0.005","10.022","0.005","10.497","0.004","61.91","0.03","85.492","0.011","74.112","0.005","604.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Mg[N(C6F5)(C4F9)]2","Magnesium-bis[(pentafluorophenyl)(nonafluoro-tert-butyl)amide]","","- C20 F28 Mg N2 -","- C20 F28 Mg N2 -","- C20 F28 Mg N2 -","1","0.5","","Kögel, Julius F; Finger, Lars H.; Frank, Nicolas; Sundermeyer, Jörg","The New NH-Acid HN(C6F5)(C(CF3)3) and Its Crystalline and Volatile Alkaline and Earth Alkaline Metal Salts.","Inorganic chemistry","2014","53","7","3839","","10.1021/ic5001717","","","0.71069","MoKα","","0.054","0.046","","","0.1171","0.1217","","","","","","0.981","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338005","4.9559","0.0005","5.2023","0.0006","12.0404","0.0015","90","","97.871","0.01","90","","307.5","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F Fe O3 Se -","- F Fe O3 Se -","- F4 Fe4 O12 Se4 -","4","1","","Hu, Shichao; Johnsson, Mats; Law, Joseph M.; Bettis, Jr, Jerry L; Whangbo, Myung-Hwan; Kremer, Reinhard K.","Crystal Structure and Magnetic Properties of FeSeO3F-Alternating Antiferromagnetic S = 5/2 chains.","Inorganic chemistry","2014","53","8","4250","4256","10.1021/ic5003995","","","0.71073","MoKα","","0.0397","0.0278","","","0.054","0.0559","","","","","","0.817","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338006","8.1644","0.0007","17.6255","0.0017","13.6343","0.0015","90","","97.645","0.009","90","","1944.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl N3 O3 Re -","- C20 H17 Cl N3 O3 Re -","- C80 H68 Cl4 N12 O12 Re4 -","4","1","","Vaughan, Jamila G.; Reid, Brodie L.; Wright, Phillip J.; Ramchandani, Sushil; Skelton, Brian W.; Raiteri, Paolo; Muzzioli, Sara; Brown, David H.; Stagni, Stefano; Massi, Massimiliano","Photophysical and Photochemical Trends in Tricarbonyl Rhenium(I) N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2014","53","7","3629","","10.1021/ic403138a","","","0.71073","MoKα","","0.0758","0.062","","","0.1266","0.1326","","","","","","1.157","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4338007","8.2661","0.0002","17.5306","0.0003","13.6552","0.0004","90","","97.69","0.002","90","","1960.97","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Br N3 O3 Re -","- C20 H17 Br N3 O3 Re -","- C80 H68 Br4 N12 O12 Re4 -","4","1","","Vaughan, Jamila G.; Reid, Brodie L.; Wright, Phillip J.; Ramchandani, Sushil; Skelton, Brian W.; Raiteri, Paolo; Muzzioli, Sara; Brown, David H.; Stagni, Stefano; Massi, Massimiliano","Photophysical and Photochemical Trends in Tricarbonyl Rhenium(I) N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2014","53","7","3629","","10.1021/ic403138a","","","0.71073","MoKα","","0.0761","0.0484","","","0.0764","0.0807","","","","","","1.129","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4338008","6.7096","0.0014","10.825","0.002","12.49","0.003","68.04","0.02","88.674","0.019","81.954","0.016","832.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Br N4 O3 Re -","- C16 H10 Br N4 O3 Re -","- C32 H20 Br2 N8 O6 Re2 -","2","1","","Vaughan, Jamila G.; Reid, Brodie L.; Wright, Phillip J.; Ramchandani, Sushil; Skelton, Brian W.; Raiteri, Paolo; Muzzioli, Sara; Brown, David H.; Stagni, Stefano; Massi, Massimiliano","Photophysical and Photochemical Trends in Tricarbonyl Rhenium(I) N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2014","53","7","3629","","10.1021/ic403138a","","","0.71073","MoKα","","0.1956","0.1267","","","0.2083","0.2411","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338009","6.6905","0.0004","10.8368","0.0007","13.3444","0.0011","101.192","0.006","90.789","0.006","98.036","0.005","938.96","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H13 Cl N5 O3 Re -","- C18 H13 Cl N5 O3 Re -","- C36 H26 Cl2 N10 O6 Re2 -","2","1","","Vaughan, Jamila G.; Reid, Brodie L.; Wright, Phillip J.; Ramchandani, Sushil; Skelton, Brian W.; Raiteri, Paolo; Muzzioli, Sara; Brown, David H.; Stagni, Stefano; Massi, Massimiliano","Photophysical and Photochemical Trends in Tricarbonyl Rhenium(I) N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2014","53","7","3629","","10.1021/ic403138a","","","0.71073","MoKα","","0.0734","0.0661","","","0.1575","0.1614","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338010","18.0965","0.0004","10.2473","0.0002","9.2381","0.0002","90","","90.81","0.002","90","","1712.94","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl N3 O3 Re -","- C15 H15 Cl N3 O3 Re -","- C60 H60 Cl4 N12 O12 Re4 -","4","1","","Vaughan, Jamila G.; Reid, Brodie L.; Wright, Phillip J.; Ramchandani, Sushil; Skelton, Brian W.; Raiteri, Paolo; Muzzioli, Sara; Brown, David H.; Stagni, Stefano; Massi, Massimiliano","Photophysical and Photochemical Trends in Tricarbonyl Rhenium(I) N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2014","53","7","3629","","10.1021/ic403138a","","","0.71073","MoKα","","0.0453","0.0309","","","0.0569","0.0603","","","","","","1.092","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4338011","7.1179","0.0009","46.0879","0.0005","34.7382","0.0005","90","","90.316","0.001","90","","11395.7","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Br N4 O3 Re -","- C20 H12 Br N4 O3 Re -","- C480 H288 Br24 N96 O72 Re24 -","24","6","","Vaughan, Jamila G.; Reid, Brodie L.; Wright, Phillip J.; Ramchandani, Sushil; Skelton, Brian W.; Raiteri, Paolo; Muzzioli, Sara; Brown, David H.; Stagni, Stefano; Massi, Massimiliano","Photophysical and Photochemical Trends in Tricarbonyl Rhenium(I) N-Heterocyclic Carbene Complexes.","Inorganic chemistry","2014","53","7","3629","","10.1021/ic403138a","","","1.54178","CuKα","","0.0412","0.0375","","","0.0802","0.0817","","","","","","1.217","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338012","9.6986","0.0004","20.227","0.0008","13.1742","0.0005","90","","102.788","0.001","90","","2520.33","0.17","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(p-cymene)Ru(Q-Me-Me-Napht)Cl","[1,3-dimethyl-4-naphthylcarbonyl-pyrazolon-5-ato](eta-6-p-cymene) ruthenium(II)chloro]","","- C26 H29 Cl N2 O3 Ru -","- C26 H27 Cl N2 O3 Ru -","- C104 H108 Cl4 N8 O12 Ru4 -","4","1","","Caruso, Francesco; Monti, Elena; Matthews, Julian; Rossi, Miriam; Gariboldi, Marzia Bruna; Pettinari, Claudio; Pettinari, Riccardo; Marchetti, Fabio","Synthesis, Characterization, and Antitumor Activity of Water-Soluble (Arene)ruthenium(II) Derivatives of 1,3-Dimethyl-4-acylpyrazolon-5-ato Ligands. First Example of Ru(arene)(ligand) Antitumor Species Involving Simultaneous Ru-N7(guanine) Bonding and Ligand Intercalation to DNA.","Inorganic chemistry","2014","53","7","3668","","10.1021/ic403170y","","","0.71073","MoKα","","0.0522","0.0441","","","0.1055","0.1136","","","","","","1.081","","","","has coordinates,has disorder","179483","2020-10-21","18:00:00",""
"4338013","7.8172","0.0016","17.886","0.004","9.5912","0.0019","90","","97.37","0.03","90","","1329.9","0.5","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(benzene)Ru(Q-Me-Me-Me)Cl","[4-acetyl-1,3-dimethyl-pyrazolon-5-ato](eta6-benzene) ruthenium(II)chloro","","- C13 H15 Cl N2 O2 Ru -","- C13 H15 Cl N2 O2 Ru -","- C52 H60 Cl4 N8 O8 Ru4 -","4","1","","Caruso, Francesco; Monti, Elena; Matthews, Julian; Rossi, Miriam; Gariboldi, Marzia Bruna; Pettinari, Claudio; Pettinari, Riccardo; Marchetti, Fabio","Synthesis, Characterization, and Antitumor Activity of Water-Soluble (Arene)ruthenium(II) Derivatives of 1,3-Dimethyl-4-acylpyrazolon-5-ato Ligands. First Example of Ru(arene)(ligand) Antitumor Species Involving Simultaneous Ru-N7(guanine) Bonding and Ligand Intercalation to DNA.","Inorganic chemistry","2014","53","7","3668","","10.1021/ic403170y","","","0.71073","MoKα","","0.0531","0.0512","","","0.1492","0.1501","","","","","","1.298","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338014","16.809","0.014","18.756","0.016","31.64","0.03","92.148","0.013","98.901","0.012","94.909","0.011","9806","15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C180 H132 Cu11 N38 O12 -","- C180 H130 Cu11 N38 O12 -","- C360 H260 Cu22 N76 O24 -","2","1","","Craig, Gavin A.; Schütze, Mike; Aguilà, David; Roubeau, Olivier; Ribas-Ariño, Jordi; Vela, Sergi; Teat, Simon J.; Aromí, Guillem","Linear or Cyclic Clusters of Cu(II) with a Hierarchical Relationship.","Inorganic chemistry","2014","53","7","3290","","10.1021/ic402647t","","","0.7749","synchrotron","","0.1884","0.14","","","0.3481","0.3811","","","","","","1.139","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338015","18.4017","0.0008","32.334","0.002","11.8948","0.0005","90","","90","","90","","7077.4","0.6","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C134 H134 Cu7 N24 O8 -","- C134 H124 Cu7 N24 O8 -","- C268 H248 Cu14 N48 O16 -","2","0.5","","Craig, Gavin A.; Schütze, Mike; Aguilà, David; Roubeau, Olivier; Ribas-Ariño, Jordi; Vela, Sergi; Teat, Simon J.; Aromí, Guillem","Linear or Cyclic Clusters of Cu(II) with a Hierarchical Relationship.","Inorganic chemistry","2014","53","7","3290","","10.1021/ic402647t","","","0.71073","MoKα","","0.1204","0.0946","","","0.2574","0.2823","","","","","","1.077","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338016","21.968","0.008","22.557","0.008","25.407","0.009","65.291","0.005","64.961","0.005","76.157","0.005","10333","6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C239 H165 Cu16 N51 O19 -","- C239 H159 Cu16 N51 O19 -","- C478 H318 Cu32 N102 O38 -","2","1","","Craig, Gavin A.; Schütze, Mike; Aguilà, David; Roubeau, Olivier; Ribas-Ariño, Jordi; Vela, Sergi; Teat, Simon J.; Aromí, Guillem","Linear or Cyclic Clusters of Cu(II) with a Hierarchical Relationship.","Inorganic chemistry","2014","53","7","3290","","10.1021/ic402647t","","","0.7749","synchrotron","","0.2602","0.202","","","0.4554","0.4771","","","","","","1.106","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338017","40.052","0.006","41.569","0.006","40.712","0.006","90","","117.881","0.004","90","","59914","15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C245.5 H183.5 Cu16 N51.5 O23 -","- C245.5 H175 Cu16 N51.5 O23 -","- C1964 H1400 Cu128 N412 O184 -","8","1","","Craig, Gavin A.; Schütze, Mike; Aguilà, David; Roubeau, Olivier; Ribas-Ariño, Jordi; Vela, Sergi; Teat, Simon J.; Aromí, Guillem","Linear or Cyclic Clusters of Cu(II) with a Hierarchical Relationship.","Inorganic chemistry","2014","53","7","3290","","10.1021/ic402647t","","","0.71073","MoKα","","0.1178","0.0667","","","0.1517","0.1697","","","","","","0.896","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338018","24.0243","0.0016","13.8359","0.0007","12.1933","0.0006","90","","97.346","0.004","90","","4019.8","0.4","296","2","296","2","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","unk","","- C42 H54 Cu N2 O5 -","- C42 H54 Cu N2 O5 -","- C168 H216 Cu4 N8 O20 -","4","0.5","","Rakshit, Richa; Ghorai, Samir; Biswas, Soumava; Mukherjee, Chandan","Effect of Ligand Substituent Coordination on the Geometry and the Electronic Structure of Cu(II)-Diradical Complexes.","Inorganic chemistry","2014","53","7","3333","","10.1021/ic402612v","","","0.71073","MoKα","","0.0906","0.0637","","","0.1659","0.1822","","","","","","1.073","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338019","21.3102","0.0004","10.192","0.0002","21.5854","0.0005","90","","104.775","0.002","90","","4533.19","0.17","296","2","296","2","","","","","","","synthesis","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H58 Cu N2 O2 Se2 -","- C52 H58 Cu N2 O2 Se2 -","- C208 H232 Cu4 N8 O8 Se8 -","4","0.5","","Rakshit, Richa; Ghorai, Samir; Biswas, Soumava; Mukherjee, Chandan","Effect of Ligand Substituent Coordination on the Geometry and the Electronic Structure of Cu(II)-Diradical Complexes.","Inorganic chemistry","2014","53","7","3333","","10.1021/ic402612v","","x-ray","0.71073","MoKα","","0.0424","0.0292","","","0.0847","0.0914","","","","","","1.078","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338020","9.6134","0.0002","20.2505","0.0004","11.6483","0.0003","90","","97.52","0.001","90","","2248.14","0.09","296","2","296","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 F6 Ga N4 O4 P -","- C19 H22 F6 Ga N4 O4 P -","- C76 H88 F24 Ga4 N16 O16 P4 -","4","1","","Kissel, Daniel S.; Florián, Jan; McLauchlan, Craig C.; Herlinger, Albert W.","Metal Ion Complexes of N,N'-Bis(2-Pyridylmethyl)-1,3-Diaminopropane-N,N'-Diacetic Acid, H2bppd.","Inorganic chemistry","2014","53","7","3404","","10.1021/ic402810e","","","0.71073","MoKα","","0.0317","0.0289","","","0.0755","0.0777","","","","","","1.073","","","","has coordinates,has disorder","179483","2020-10-21","18:00:00",""
"4338021","17.9388","0.0017","13.7773","0.0013","39.461","0.004","90","","92.511","0.002","90","","9743.4","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H100 O P2 Sn6 -","- C112 H100 O P2 Sn6 -","- C448 H400 O4 P8 Sn24 -","4","1","","Cummins, Christopher C.; Huang, Chao; Miller, Tabitha J.; Reintinger, Markus W.; Stauber, Julia M.; Tannou, Isabelle; Tofan, Daniel; Toubaei, Abouzar; Velian, Alexandra; Wu, Gang","The Stannylphosphide Anion Reagent Sodium Bis(triphenylstannyl) Phosphide: Synthesis, Structural Characterization, and Reactions with Indium, Tin, and Gold Electrophiles.","Inorganic chemistry","2014","53","7","3678","","10.1021/ic403178j","","","0.71073","MoKα","","0.0309","0.0246","","","0.0501","0.0525","","","","","","1.092","","","","has coordinates,has disorder","179483","2020-10-21","18:00:00",""
"4338022","10.252","0.002","20.081","0.005","22.705","0.005","90","","97.656","0.004","90","","4632.6","1.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H50 Na O5 P Sn2 -","- C50 H50 Na O5 P Sn2 -","- C200 H200 Na4 O20 P4 Sn8 -","4","2","","Cummins, Christopher C.; Huang, Chao; Miller, Tabitha J.; Reintinger, Markus W.; Stauber, Julia M.; Tannou, Isabelle; Tofan, Daniel; Toubaei, Abouzar; Velian, Alexandra; Wu, Gang","The Stannylphosphide Anion Reagent Sodium Bis(triphenylstannyl) Phosphide: Synthesis, Structural Characterization, and Reactions with Indium, Tin, and Gold Electrophiles.","Inorganic chemistry","2014","53","7","3678","","10.1021/ic403178j","","","0.71073","MoKα","","0.0441","0.0344","","","0.0677","0.071","","","","","","1.079","","","","has coordinates,has disorder","179483","2020-10-21","18:00:00",""
"4338023","19.2138","0.0006","20.2016","0.0006","24.71","0.0008","94.672","0.001","97.341","0.001","104.34","0.001","9152.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45 Au P2 Sn2 -","- C54 H45 Au P2 Sn2 -","- C432 H360 Au8 P16 Sn16 -","8","4","","Cummins, Christopher C.; Huang, Chao; Miller, Tabitha J.; Reintinger, Markus W.; Stauber, Julia M.; Tannou, Isabelle; Tofan, Daniel; Toubaei, Abouzar; Velian, Alexandra; Wu, Gang","The Stannylphosphide Anion Reagent Sodium Bis(triphenylstannyl) Phosphide: Synthesis, Structural Characterization, and Reactions with Indium, Tin, and Gold Electrophiles.","Inorganic chemistry","2014","53","7","3678","","10.1021/ic403178j","","","0.71073","MoKα","","0.0676","0.0448","","","0.1027","0.1106","","","","","","0.939","","","","has coordinates,has disorder","179483","2020-10-21","18:00:00",""
"4338024","9.5384","0.0009","22.752","0.002","21.878","0.002","90","","102.076","0.002","90","","4642.8","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47.5 H54 In N2 P S2 Sn2 -","- C47.496 H53.99 In N1.999 P S1.999 Sn2 -","- C189.984 H215.96 In4 N7.996 P4 S7.996 Sn8 -","4","1","","Cummins, Christopher C.; Huang, Chao; Miller, Tabitha J.; Reintinger, Markus W.; Stauber, Julia M.; Tannou, Isabelle; Tofan, Daniel; Toubaei, Abouzar; Velian, Alexandra; Wu, Gang","The Stannylphosphide Anion Reagent Sodium Bis(triphenylstannyl) Phosphide: Synthesis, Structural Characterization, and Reactions with Indium, Tin, and Gold Electrophiles.","Inorganic chemistry","2014","53","7","3678","","10.1021/ic403178j","","","0.71073","MoKα","","0.0538","0.0365","","","0.0646","0.0737","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338025","9.5191","0.0001","9.6194","0.0001","9.8204","0.0001","90","","118.92","","90","","787.096","0.014","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Dy O8 -","- C5 H4 Dy O8 -","- C20 H16 Dy4 O32 -","4","1","","Biswas, Soumava; Jena, Himanshu Sekhar; Adhikary, Amit; Konar, Sanjit","Two Isostructural 3D Lanthanide Coordination Networks (Ln = Gd(3+), Dy(3+)) with Squashed Cuboid-Type Nanoscopic Cages Showing Significant Cryogenic Magnetic Refrigeration and Slow Magnetic Relaxation.","Inorganic chemistry","2014","53","8","3926","3928","10.1021/ic4030316","","","0.71073","MoKα","","0.0298","0.0261","","","0.0633","0.0656","","","","","","1.118","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338026","9.5652","0.0002","9.6944","0.0001","9.8654","0.0002","90","","118.97","","90","","800.34","0.02","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Gd O8 -","- C5 H4 Gd O8 -","- C20 H16 Gd4 O32 -","4","1","","Biswas, Soumava; Jena, Himanshu Sekhar; Adhikary, Amit; Konar, Sanjit","Two Isostructural 3D Lanthanide Coordination Networks (Ln = Gd(3+), Dy(3+)) with Squashed Cuboid-Type Nanoscopic Cages Showing Significant Cryogenic Magnetic Refrigeration and Slow Magnetic Relaxation.","Inorganic chemistry","2014","53","8","3926","3928","10.1021/ic4030316","","","0.71073","MoKα","","0.0309","0.027","","","0.0731","0.0762","","","","","","1.013","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338027","23.507","0.005","12.84","0.003","15.962","0.003","90","","90","","90","","4817.8","1.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H18 Fe2 N14 O4 -","- C18 H18 Fe2 N14 O4 -","- C144 H144 Fe16 N112 O32 -","8","1","","Xu, Zhouqing; Meng, Wei; Li, Huijun; Hou, Hongwei; Fan, Yaoting","Guest Molecule Release Triggers Changes in the Catalytic and Magnetic Properties of a Fe(II)-Based 3D Metal-Organic Framework.","Inorganic chemistry","2014","53","7","3260","","10.1021/ic500004s","","","0.71073","MoKα","","0.0517","0.0491","","","0.1279","0.1299","","","","","","1.146","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338028","22.696","0.005","12.696","0.003","16.126","0.003","90","","90","","90","","4646.7","1.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H16 Fe2 N14 O3 -","- C18 H16 Fe2 N14 O3 -","- C144 H128 Fe16 N112 O24 -","8","1","","Xu, Zhouqing; Meng, Wei; Li, Huijun; Hou, Hongwei; Fan, Yaoting","Guest Molecule Release Triggers Changes in the Catalytic and Magnetic Properties of a Fe(II)-Based 3D Metal-Organic Framework.","Inorganic chemistry","2014","53","7","3260","","10.1021/ic500004s","","","0.71073","MoKα","","0.0716","0.0635","","","0.1384","0.1432","","","","","","1.186","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338029","7.3362","0.0005","7.4467","0.0006","13.8751","0.001","75.658","0.003","81.412","0.003","72.302","0.003","697.37","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","mu-fluorido-bis(difluorido-1,4,7-trimethyltriazacyclononane-manganese(III)) hexafluorophosphate","","- C18 H42 F11 Mn2 N6 P -","- C18 H42 F11 Mn2 N6 P -","- C18 H42 F11 Mn2 N6 P -","1","0.5","","Pedersen, Kasper S.; Sigrist, Marc; Weihe, Høgni; Bond, Andrew D.; Thuesen, Christian Aa; Simonsen, Kim P.; Birk, Torben; Mutka, Hannu; Barra, Anne-Laure; Bendix, Jesper","Magnetic Interactions through Fluoride: Magnetic and Spectroscopic Characterization of Discrete, Linearly Bridged [Mn(III)2(μ-F)F4(Me3tacn)2](PF6).","Inorganic chemistry","2014","53","10","5013","5019","10.1021/ic500049w","","","0.71073","MoKα","","0.0548","0.0503","","","0.1111","0.1144","","","","","","1.048","","","","has coordinates,has disorder","179483","2020-10-21","18:00:00",""
"4338030","10.8739","0.0004","17.39","0.0005","12.0958","0.0004","90","","108.957","0.006","90","","2163.22","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu3(OH)(trgly)3(SO4)]•2H2O","","","- C12 H17 Cu3 N9 O13 S -","- C12 H17 Cu3 N9 O13 S -","- C48 H68 Cu12 N36 O52 S4 -","4","1","","Vasylevs'kyy, Sergiy I.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Jezierska, Julia; Krautscheid, Harald; Domasevitch, Konstantin V.; Ozarowski, Andrew","1,2,4-Triazolyl-Carboxylate-Based MOFs Incorporating Triangular Cu(II)-Hydroxo Clusters: Topological Metamorphosis and Magnetism.","Inorganic chemistry","2014","53","7","3642","","10.1021/ic403148f","","","0.71073","MoKα","","0.0951","0.0459","","","0.0818","0.0916","","","","","","0.939","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4338031","12.0614","0.0007","12.0614","0.0007","36.028","0.005","90","","90","","120","","4539.1","0.7","296","2","296","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","[Cu3(OH)(trala)3(ClO4)0.5](ClO4)1.5•1.5H2O","","","- C15 H22 Cl2 Cu3 N9 O16.5 -","- C15 H19 Cl2 Cu3 N9 O16.5 -","- C90 H114 Cl12 Cu18 N54 O99 -","6","0.333333","","Vasylevs'kyy, Sergiy I.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Jezierska, Julia; Krautscheid, Harald; Domasevitch, Konstantin V.; Ozarowski, Andrew","1,2,4-Triazolyl-Carboxylate-Based MOFs Incorporating Triangular Cu(II)-Hydroxo Clusters: Topological Metamorphosis and Magnetism.","Inorganic chemistry","2014","53","7","3642","","10.1021/ic403148f","","","0.71073","MoKα","","0.0627","0.0458","","","0.1429","0.152","","","","","","1.033","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4338032","21.1373","0.0003","21.1373","0.0003","21.1373","0.0003","90","","90","","90","","9443.8","0.2","296","2","296","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","[Cu3(OH)(trgly)3(H2O)3](SO4)•16H2O","","","- C12 H51 Cu3 N9 O30 S -","- C12 H25 Cu3 N9 O24.27 S1.005 -","- C96 H200 Cu24 N72 O194.16 S8.04 -","8","0.166667","","Vasylevs'kyy, Sergiy I.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Jezierska, Julia; Krautscheid, Harald; Domasevitch, Konstantin V.; Ozarowski, Andrew","1,2,4-Triazolyl-Carboxylate-Based MOFs Incorporating Triangular Cu(II)-Hydroxo Clusters: Topological Metamorphosis and Magnetism.","Inorganic chemistry","2014","53","7","3642","","10.1021/ic403148f","","","0.71073","MoKα","","0.0607","0.056","","","0.1746","0.1787","","","","","","1.126","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4338033","14.545","0.003","16.007","0.003","19.231","0.004","107.86","0.001","98.556","0.003","109.686","0.0016","3850.5","1.3","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C97 H83 In N6 -","- C97 H83 In N6 -","- C194 H166 In2 N12 -","2","1","","Kusaka, Shinpei; Sakamoto, Ryota; Nishihara, Hiroshi","Luminescent Heteroleptic Tris(dipyrrinato)indium(III) Complexes.","Inorganic chemistry","2014","53","7","3275","","10.1021/ic500326u","","","0.7107","MoKα","","","0.0427","","","","0.1075","","","","","","1.07","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338034","25.4814","0.0012","17.1832","0.0008","18.1746","0.0009","90","","133.54","","90","","5768.5","0.5","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- H16 N16 O64 Pb16 -","- H16 N16 O64 Pb16 -","- H64 N64 O256 Pb64 -","4","1","","Chang, Lixian; Wang, Li; Su, Xin; Pan, Shilie; Hailili, Reshalaiti; Yu, Hongwei; Yang, Zhihua","A Nitrate Nonlinear Optical Crystal Pb16(OH)16(NO3)16 with a Large Second-Harmonic Generation Response.","Inorganic chemistry","2014","53","7","3320","","10.1021/ic402404a","","","0.71073","MoKα","","0.0533","0.0432","","","0.0938","0.113","","","","","","1.071","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338035","14.044","0.007","28.147","0.013","14.654","0.007","90","","109.734","0.006","90","","5452","5","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C20 H74 Ce N7 Na O76.5 Si2 W19 -","- C20 H61 Ce N7 Na O76.5 Si2 W19 -","- C40 H122 Ce2 N14 Na2 O153 Si4 W38 -","2","1","","Ju, Wei-Wei; Zhang, Hai-Tao; Xu, Xiao; Zhang, Yu; Xu, Yan","Enantiomerically Pure Lanthanide-Organic Polytungstates Exhibiting Two-Photon Absorption Properties.","Inorganic chemistry","2014","53","7","3269","","10.1021/ic500157x","","","0.71073","MoKα","","0.0775","0.0511","","","0.1101","0.123","","","","","","0.986","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338036","14.071","0.009","28.174","0.019","14.788","0.01","90","","109.375","0.009","90","","5530","6","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C12 H46 Ce N3 Na3 O77.5 Si2 W19 -","- C12 H25 Ce N3 Na3 O77.5 Si2 W19 -","- C24 H50 Ce2 N6 Na6 O155 Si4 W38 -","2","1","","Ju, Wei-Wei; Zhang, Hai-Tao; Xu, Xiao; Zhang, Yu; Xu, Yan","Enantiomerically Pure Lanthanide-Organic Polytungstates Exhibiting Two-Photon Absorption Properties.","Inorganic chemistry","2014","53","7","3269","","10.1021/ic500157x","","","0.71073","MoKα","","0.1323","0.0665","","","0.1488","0.1811","","","","","","0.986","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338037","31.33","0.04","31.33","0.04","21.84","0.03","90","","90","","120","","18565","4","93","","93","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 Cr3 O38.33 P0.33 W4 -","- C18 Cr3 O34.3333 P0.333333 W4 -","- C324 Cr54 O618 P6 W72 -","18","1","","Kawahara, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka","Concerted Functions of Anions and Cations in a Molecular Ionic Crystal with Stable Three-Dimensional Micropores.","Inorganic chemistry","2014","53","7","3655","","10.1021/ic4031574","","","0.7107","MoKα","","","0.0943","","","","0.2378","","","","","","1.313","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338038","4.8867","0.0002","33.784","0.002","14.9055","0.001","90","","92.598","0.002","90","","2458.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 N5 O4 -","- C30 H29 N5 O4 -","- C120 H116 N20 O16 -","4","1","","Langdon-Jones, Emily E; Symonds, Nadine O.; Yates, Sara E.; Hayes, Anthony J.; Lloyd, David; Williams, Rebecca; Coles, Simon J.; Horton, Peter N.; Pope, Simon J. A.","Fluorescent Rhenium-Naphthalimide Conjugates as Cellular Imaging Agents.","Inorganic chemistry","2014","53","7","3788","","10.1021/ic500142z","","","0.71075","MoKα","","0.0534","0.0417","","","0.1108","0.1196","","","","","","1.027","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338039","11.1988","0.0013","12.3323","0.0014","14.2061","0.0016","110.846","0.002","105.31","0.002","99.812","0.002","1690.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H90 Gd2 N8 O24 Zn2 -","- C56 H90 Gd2 N8 O24 Zn2 -","- C56 H90 Gd2 N8 O24 Zn2 -","1","0.5","","Ruiz, José; Lorusso, Giulia; Evangelisti, Marco; Brechin, Euan K.; Pope, Simon J. A.; Colacio, Enrique","Closely-Related Zn(II)2Ln(III)2 Complexes (Ln(III) = Gd, Yb) with Either Magnetic Refrigerant or Luminescent Single-Molecule Magnet Properties.","Inorganic chemistry","2014","53","7","3586","","10.1021/ic403097s","","","0.71073","MoKα","","0.0325","0.0304","","","0.0755","0.0772","","","","","","1.066","","","","has coordinates,has disorder","179483","2020-10-21","18:00:00",""
"4338040","12.818","0.005","12.963","0.005","13.031","0.005","62.537","0.005","61.983","0.005","81.114","0.005","1690.7","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H90 N8 O28 Yb2 Zn2 -","- C56 H90 N8 O28 Yb2 Zn2 -","- C56 H90 N8 O28 Yb2 Zn2 -","1","0.5","","Ruiz, José; Lorusso, Giulia; Evangelisti, Marco; Brechin, Euan K.; Pope, Simon J. A.; Colacio, Enrique","Closely-Related Zn(II)2Ln(III)2 Complexes (Ln(III) = Gd, Yb) with Either Magnetic Refrigerant or Luminescent Single-Molecule Magnet Properties.","Inorganic chemistry","2014","53","7","3586","","10.1021/ic403097s","","","0.71069","MoKα","","0.0341","0.0328","","","0.0861","0.0871","","","","","","1.062","","","","has coordinates,has disorder","179483","2020-10-21","18:00:00",""
"4338041","10.7318","0.0001","15.8327","0.0001","17.8712","0.0001","90","","90","","90","","3036.56","0.04","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N6 O13 Yb Zn -","- C25 H37 N6 O13 Yb Zn -","- C100 H148 N24 O52 Yb4 Zn4 -","4","1","","Ruiz, José; Lorusso, Giulia; Evangelisti, Marco; Brechin, Euan K.; Pope, Simon J. A.; Colacio, Enrique","Closely-Related Zn(II)2Ln(III)2 Complexes (Ln(III) = Gd, Yb) with Either Magnetic Refrigerant or Luminescent Single-Molecule Magnet Properties.","Inorganic chemistry","2014","53","7","3586","","10.1021/ic403097s","","","0.71073","MoKα","","0.0177","0.017","","","0.0364","0.0367","","","","","","1.035","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338042","14.4755","0.0019","15.3293","0.0018","25.52","0.004","82.58","0.007","87.684","0.007","61.671","0.004","4941.5","1.2","173.1","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C107 H116 Fe4 Na O S8 -","- C107 H100 Fe4 Na O S8 -","- C214 H200 Fe8 Na2 O2 S16 -","2","1","","Tanifuji, Kazuki; Yamada, Norihiro; Tajima, Tomoyuki; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa; Tamao, Kohei; Ohki, Yasuhiro; Tatsumi, Kazuyuki","A convenient route to synthetic analogues of the oxidized form of high-potential iron-sulfur proteins.","Inorganic chemistry","2014","53","8","4000","4009","10.1021/ic402890k","","","0.7107","MoKα","","","0.0727","","","","0.2142","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338043","32.2442","0.0009","32.2442","0.0009","17.789","0.0007","90","","90","","90","","18495","1","173","","173","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C112 H244 Fe4 Na O S8 Si24 -","- C112 H236 Fe4 Na O S8 Si24 -","- C448 H944 Fe16 Na4 O4 S32 Si96 -","4","0.25","","Tanifuji, Kazuki; Yamada, Norihiro; Tajima, Tomoyuki; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa; Tamao, Kohei; Ohki, Yasuhiro; Tatsumi, Kazuyuki","A convenient route to synthetic analogues of the oxidized form of high-potential iron-sulfur proteins.","Inorganic chemistry","2014","53","8","4000","4009","10.1021/ic402890k","","","0.7107","MoKα","","","0.0831","","","","0.2554","","","","","","1.097","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338044","15.7648","0.0015","16.0212","0.0015","25.024","0.003","83.258","0.005","83.814","0.005","64.542","0.004","5655.6","1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C123 H136 Fe4 N S8 -","- C122.5 H136 Fe4 N S8 -","- C245 H272 Fe8 N2 S16 -","2","1","","Tanifuji, Kazuki; Yamada, Norihiro; Tajima, Tomoyuki; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa; Tamao, Kohei; Ohki, Yasuhiro; Tatsumi, Kazuyuki","A convenient route to synthetic analogues of the oxidized form of high-potential iron-sulfur proteins.","Inorganic chemistry","2014","53","8","4000","4009","10.1021/ic402890k","","","0.7107","MoKα","","","0.0553","","","","0.1743","","","","","","1.034","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338045","17.359","0.002","24.54","0.003","31.797","0.004","90","","92.8329","0.0013","90","","13529","3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C134 H206 Fe4 N S8 -","- C134 H206 Fe4 N S8 -","- C536 H824 Fe16 N4 S32 -","4","1","","Tanifuji, Kazuki; Yamada, Norihiro; Tajima, Tomoyuki; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa; Tamao, Kohei; Ohki, Yasuhiro; Tatsumi, Kazuyuki","A convenient route to synthetic analogues of the oxidized form of high-potential iron-sulfur proteins.","Inorganic chemistry","2014","53","8","4000","4009","10.1021/ic402890k","","","0.7107","MoKα","","","0.0606","","","","0.192","","","","","","1.098","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338046","14.982","0.002","16.228","0.002","23.468","0.003","94.71","0.003","92.6277","0.0018","100.58","0.003","5579","1.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C125 H134 Fe4 N S8 -","- C125 H134 Fe4 N S8 -","- C250 H268 Fe8 N2 S16 -","2","1","","Tanifuji, Kazuki; Yamada, Norihiro; Tajima, Tomoyuki; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa; Tamao, Kohei; Ohki, Yasuhiro; Tatsumi, Kazuyuki","A convenient route to synthetic analogues of the oxidized form of high-potential iron-sulfur proteins.","Inorganic chemistry","2014","53","8","4000","4009","10.1021/ic402890k","","","0.7107","MoKα","","","0.0687","","","","0.2499","","","","","","1.097","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338047","20.1852","0.0012","18.3077","0.0011","22.3279","0.0013","90","","94.5234","0.0009","90","","8225.5","0.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H78 Fe4 N S8 -","- C88 H83 Fe4 N S8 -","- C352 H332 Fe16 N4 S32 -","4","1","","Tanifuji, Kazuki; Yamada, Norihiro; Tajima, Tomoyuki; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa; Tamao, Kohei; Ohki, Yasuhiro; Tatsumi, Kazuyuki","A convenient route to synthetic analogues of the oxidized form of high-potential iron-sulfur proteins.","Inorganic chemistry","2014","53","8","4000","4009","10.1021/ic402890k","","","0.7107","MoKα","","","0.0373","","","","0.0976","","","","","","1.216","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338048","11.458","0.014","7.019","0.014","7.324","0.014","90","","124.413","0.016","90","","485.9","1.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B2 K O6 Sb -","- B2 K O6 Sb -","- B8 K4 O24 Sb4 -","4","1","","Huang, Chao; Zhang, Jian-Han; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao","KSbB2O6 and BaSb2B4O12: Novel Boroantimonates with 3D Anionic Architectures Composed of 1D Chains of SbO6 Octahedra and B2O5 Groups.","Inorganic chemistry","2014","53","7","3847","","10.1021/ic5001842","","","0.71073","MoKα","","0.0244","0.0216","","","0.0505","0.0509","","","","","","1.092","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338049","6.9818","0.0014","11.8452","0.0019","11.089","0.003","90","","102.772","0.014","90","","894.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B4 Ba O12 Sb2 -","- B4 Ba O12 Sb2 -","- B16 Ba4 O48 Sb8 -","4","0.5","","Huang, Chao; Zhang, Jian-Han; Hu, Chun-Li; Xu, Xiang; Kong, Fang; Mao, Jiang-Gao","KSbB2O6 and BaSb2B4O12: Novel Boroantimonates with 3D Anionic Architectures Composed of 1D Chains of SbO6 Octahedra and B2O5 Groups.","Inorganic chemistry","2014","53","7","3847","","10.1021/ic5001842","","","0.71073","MoKα","","0.0219","0.021","","","0.0498","0.0503","","","","","","1.094","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338050","13.5056","0.0004","44.6178","0.0014","13.2577","0.0004","90","","116.803","0.002","90","","7130.6","0.4","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.45 H34.9 Cl0.9 Fe N4 -","- C46 H34 Fe N4 -","- C368 H272 Fe8 N32 -","8","2","","Nardis, Sara; Cicero, Daniel O.; Licoccia, Silvia; Pomarico, Giuseppe; Berionni Berna, Beatrice; Sette, Marco; Ricciardi, Giampaolo; Rosa, Angela; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","Phenyl derivative of iron 5,10,15-tritolylcorrole.","Inorganic chemistry","2014","53","8","4215","4227","10.1021/ic5003572","","","1.54178","CuKα","","0.0741","0.0565","","","0.1439","0.1528","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338051","16.08589","0.00016","21.47794","0.00014","17.84876","0.00018","90","","90.1428","0.0009","90","","6166.58","0.1","100","0.1","100","0.1","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C63 H60 Cl4 F3 Fe N6 O5 P S -","- C63 H60 Cl4 F3 Fe N6 O5 P S -","- C252 H240 Cl16 F12 Fe4 N24 O20 P4 S4 -","4","2","","Bittner, Michael M.; Lindeman, Sergey V.; Popescu, Codrina V.; Fiedler, Adam T.","Dioxygen Reactivity of Biomimetic Fe(II) Complexes with Noninnocent Catecholate, o-Aminophenolate, and o-Phenylenediamine Ligands.","Inorganic chemistry","2014","53","8","4047","4061","10.1021/ic403126p","","","1.5418","CuKα","","0.0395","0.039","","","0.1022","0.1028","","","","","","1.041","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338052","15.3998","0.0003","15.6626","0.0003","17.9588","0.0003","88.1913","0.0014","64.9341","0.0017","61.0812","0.0019","3351.41","0.15","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C67.12 H68.8 F6 Fe N10 O6.78 P S2 -","- C67.12 H68.8 F6 Fe N10 O6.78 P S2 -","- C134.24 H137.6 F12 Fe2 N20 O13.56 P2 S4 -","2","1","","Bittner, Michael M.; Lindeman, Sergey V.; Popescu, Codrina V.; Fiedler, Adam T.","Dioxygen Reactivity of Biomimetic Fe(II) Complexes with Noninnocent Catecholate, o-Aminophenolate, and o-Phenylenediamine Ligands.","Inorganic chemistry","2014","53","8","4047","4061","10.1021/ic403126p","","","0.7107","MoKα","","0.0589","0.047","","","0.117","0.1253","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338053","19.6939","0.0004","18.3202","0.0004","22.2057","0.0004","90","","92.0089","0.0017","90","","8006.8","0.3","100","0.1","100","0.1","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C88.82 H88.32 B Cl1.6 F3 Fe N8 O3 P S -","- C88.816 H88.32 B Cl1.596 F3 Fe N8 O3 P S -","- C355.264 H353.28 B4 Cl6.384 F12 Fe4 N32 O12 P4 S4 -","4","1","","Bittner, Michael M.; Lindeman, Sergey V.; Popescu, Codrina V.; Fiedler, Adam T.","Dioxygen Reactivity of Biomimetic Fe(II) Complexes with Noninnocent Catecholate, o-Aminophenolate, and o-Phenylenediamine Ligands.","Inorganic chemistry","2014","53","8","4047","4061","10.1021/ic403126p","","","0.7107","MoKα","","0.128","0.0962","","","0.2182","0.2375","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338054","15.5548","0.0002","17.2278","0.0003","23.4768","0.0004","97.7901","0.0014","91.8278","0.0012","115.874","0.0017","5578.95","0.18","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C58.5 H51 Cl3 F3 Fe N6 O5 P S -","- C58.5 H51 Cl3 F3 Fe N6 O5 P S -","- C234 H204 Cl12 F12 Fe4 N24 O20 P4 S4 -","4","2","","Bittner, Michael M.; Lindeman, Sergey V.; Popescu, Codrina V.; Fiedler, Adam T.","Dioxygen Reactivity of Biomimetic Fe(II) Complexes with Noninnocent Catecholate, o-Aminophenolate, and o-Phenylenediamine Ligands.","Inorganic chemistry","2014","53","8","4047","4061","10.1021/ic403126p","","","1.54184","CuKα","","0.0478","0.0425","","","0.1169","0.1215","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338055","17.8945","0.0012","12.0688","0.0009","19.1758","0.0014","90","","94.295","0.002","90","","4129.7","0.5","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H42 Cu F6 N7 P2 -","- C36 H42 Cu F6 N7 P2 -","- C144 H168 Cu4 F24 N28 P8 -","4","1","","Haldón, Estela; Delgado-Rebollo, Manuela; Prieto, Auxiliadora; Alvarez, Eleuterio; Maya, Celia; Nicasio, M. Carmen; Pérez, Pedro J","Synthesis, Structural Characterization, Reactivity, and Catalytic Properties of Copper(I) Complexes with a Series of Tetradentate Tripodal Tris(pyrazolylmethyl)amine Ligands.","Inorganic chemistry","2014","53","8","4192","4201","10.1021/ic500311y","","","0.71073","MoKα","","0.0857","0.0679","","","0.1836","0.195","","","","","","1.063","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338056","23.5567","0.001","13.7634","0.001","13.9797","0.0007","90","","95.895","0.002","90","","4508.5","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Br9 N7 -","- C12 H6 Br9 N7 -","- C96 H48 Br72 N56 -","8","1","","Haldón, Estela; Delgado-Rebollo, Manuela; Prieto, Auxiliadora; Alvarez, Eleuterio; Maya, Celia; Nicasio, M. Carmen; Pérez, Pedro J","Synthesis, Structural Characterization, Reactivity, and Catalytic Properties of Copper(I) Complexes with a Series of Tetradentate Tripodal Tris(pyrazolylmethyl)amine Ligands.","Inorganic chemistry","2014","53","8","4192","4201","10.1021/ic500311y","","","0.71073","MoKα","","0.0585","0.0387","","","0.1105","0.1421","","","","","","0.979","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338057","14.6993","0.0009","14.6993","0.0009","19.4361","0.0017","90","","90","","120","","3636.9","0.4","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H24 Br3 N7 -","- C18 H24 Br3 N7 -","- C108 H144 Br18 N42 -","6","0.333333","","Haldón, Estela; Delgado-Rebollo, Manuela; Prieto, Auxiliadora; Alvarez, Eleuterio; Maya, Celia; Nicasio, M. Carmen; Pérez, Pedro J","Synthesis, Structural Characterization, Reactivity, and Catalytic Properties of Copper(I) Complexes with a Series of Tetradentate Tripodal Tris(pyrazolylmethyl)amine Ligands.","Inorganic chemistry","2014","53","8","4192","4201","10.1021/ic500311y","","","0.71073","MoKα","","0.0559","0.0497","","","0.1402","0.1426","","","","","","1.068","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338058","10.3188","0.0007","12.2799","0.001","18.4566","0.0015","90","","97.141","0.003","90","","2320.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Cu F6 N7 P -","- C18 H27 Cu F6 N7 P -","- C72 H108 Cu4 F24 N28 P4 -","4","1","","Haldón, Estela; Delgado-Rebollo, Manuela; Prieto, Auxiliadora; Alvarez, Eleuterio; Maya, Celia; Nicasio, M. Carmen; Pérez, Pedro J","Synthesis, Structural Characterization, Reactivity, and Catalytic Properties of Copper(I) Complexes with a Series of Tetradentate Tripodal Tris(pyrazolylmethyl)amine Ligands.","Inorganic chemistry","2014","53","8","4192","4201","10.1021/ic500311y","","","0.71073","MoKα","","0.1201","0.0511","","","0.112","0.1247","","","","","","0.941","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338059","16.4932","0.0014","17.2851","0.0013","24.641","0.002","78.537","0.003","74.054","0.002","71.455","0.003","6355.8","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C87 H138 Cl6 Cu4 F24 N28 P4 -","- C87 H138 Cl6 Cu4 F24 N28 P4 -","- C174 H276 Cl12 Cu8 F48 N56 P8 -","2","1","","Haldón, Estela; Delgado-Rebollo, Manuela; Prieto, Auxiliadora; Alvarez, Eleuterio; Maya, Celia; Nicasio, M. Carmen; Pérez, Pedro J","Synthesis, Structural Characterization, Reactivity, and Catalytic Properties of Copper(I) Complexes with a Series of Tetradentate Tripodal Tris(pyrazolylmethyl)amine Ligands.","Inorganic chemistry","2014","53","8","4192","4201","10.1021/ic500311y","","","0.71073","MoKα","","0.1298","0.0837","","","0.1398","0.1877","","","","","","1.017","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338060","31.9572","0.0009","31.9572","0.0009","9.5202","0.0003","90","","90","","120","","8420","0.4","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","","","- C12 H15 Cu2 I2 N7 -","- C12 H15 Cu2 I2 N7 -","- C216 H270 Cu36 I36 N126 -","18","","","Haldón, Estela; Delgado-Rebollo, Manuela; Prieto, Auxiliadora; Alvarez, Eleuterio; Maya, Celia; Nicasio, M. Carmen; Pérez, Pedro J","Synthesis, Structural Characterization, Reactivity, and Catalytic Properties of Copper(I) Complexes with a Series of Tetradentate Tripodal Tris(pyrazolylmethyl)amine Ligands.","Inorganic chemistry","2014","53","8","4192","4201","10.1021/ic500311y","","","0.71073","MoKα","","0.0352","0.0261","","","0.0506","0.053","","","","","","1.072","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338061","9.2355","0.0018","11.278","0.002","18.64","0.004","93.948","0.002","98.273","0.002","109.09","0.002","1801.6","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H19 Cu N2 O17 P4 U2 -","- C28 H19 Cu N2 O17 P4 U2 -","- C56 H38 Cu2 N4 O34 P8 U4 -","2","1","","Adelani, Pius O.; Cook, Nathaniel D.; Babo, Jean-Marie; Burns, Peter C.","Incorporation of cu(2+) ions into nanotubular uranyl diphosphonates.","Inorganic chemistry","2014","53","8","4169","4176","10.1021/ic500220d","","","0.71073","MoKα","","0.0607","0.0368","","","0.0771","0.0852","","","","","","0.989","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338062","9.053","0.003","10.786","0.003","13.549","0.004","81.354","0.004","74.852","0.003","68.034","0.003","1182.3","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H14 Cu N4 O9 P2 U -","- C20 H14 Cu N4 O9 P2 U -","- C40 H28 Cu2 N8 O18 P4 U2 -","2","1","","Adelani, Pius O.; Cook, Nathaniel D.; Babo, Jean-Marie; Burns, Peter C.","Incorporation of cu(2+) ions into nanotubular uranyl diphosphonates.","Inorganic chemistry","2014","53","8","4169","4176","10.1021/ic500220d","","","0.71073","MoKα","","0.0596","0.0466","","","0.1096","0.1155","","","","","","1.334","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338063","18.608","0.003","9.9149","0.0014","19.979","0.003","90","","93.926","0.002","90","","3677.4","1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Cu F N2 O20 P4 U2 -","- C28 H19 Cu F N2 O20 P4 U2 -","- C112 H76 Cu4 F4 N8 O80 P16 U8 -","4","1","","Adelani, Pius O.; Cook, Nathaniel D.; Babo, Jean-Marie; Burns, Peter C.","Incorporation of cu(2+) ions into nanotubular uranyl diphosphonates.","Inorganic chemistry","2014","53","8","4169","4176","10.1021/ic500220d","","","0.71073","MoKα","","0.0754","0.0457","","","0.1023","0.1216","","","","","","1.009","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338064","4.22324","0.00007","4.22324","0.00007","20.0359","0.0004","90","","90","","90","","357.355","0.011","298","2","298","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Ag2 Ba2 Co O2 Se2 -","- Ag2 Ba2 Co O2 Se2 -","- Ag4 Ba4 Co2 O4 Se4 -","2","0.0625","","Zhou, Tingting; Wang, Yumei; Jin, Shifeng; Li, Dandan; Lai, Xiaofang; Ying, Tianping; Zhang, Han; Shen, Shijie; Wang, Wenjun; Chen, Xiaolong","Structures and Physical Properties of Layered Oxyselenides Ba2MO2Ag2Se2 (M = Co, Mn).","Inorganic chemistry","2014","53","8","4154","4160","10.1021/ic500203k","powder diffraction","","1.5418","CuKα","","","","","","","","","6.1417","1.4176","","","","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338065","4.26514","0.00005","4.26514","0.00005","19.7184","0.0002","90","","90","","90","","358.706","0.007","298","2","298","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Ag3.71 Ba4 Mn2 O4 Se4 -","- Ag3.708 Ba4 Mn2 O4 Se4 -","- Ag3.708 Ba4 Mn2 O4 Se4 -","1","0.03125","","Zhou, Tingting; Wang, Yumei; Jin, Shifeng; Li, Dandan; Lai, Xiaofang; Ying, Tianping; Zhang, Han; Shen, Shijie; Wang, Wenjun; Chen, Xiaolong","Structures and Physical Properties of Layered Oxyselenides Ba2MO2Ag2Se2 (M = Co, Mn).","Inorganic chemistry","2014","53","8","4154","4160","10.1021/ic500203k","powder diffraction","","1.5418","CuKα","","","","","","","","","6.7159","1.7257","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338066","8.4804","0.0003","14.1017","0.0006","20.7617","0.0009","83.472","0.004","81.241","0.004","82.823","0.003","2423.3","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H35 N7 O7 Zn2 -","- C48 H35 N7 O7 Zn2 -","- C96 H70 N14 O14 Zn4 -","2","1","","Fu, Hong-Ru; Kang, Yao; Zhang, Jian","Highly Selective Sorption of Small Hydrocarbons and Photocatalytic Properties of Three Metal-Organic Frameworks Based on Tris(4-(1H-imidazol-1-yl)phenyl)amine Ligand.","Inorganic chemistry","2014","53","8","4209","4214","10.1021/ic5003226","","","0.71073","MoKα","","0.082","0.0613","","","0.1912","0.2061","","","","","","1.111","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338067","25.6632","0.0005","15.0315","0.0003","17.7572","0.0003","90","","90","","90","","6850","0.2","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C27 H21 Cd Cl2 N7 -","- C27 H21 Cd Cl2 N7 -","- C216 H168 Cd8 Cl16 N56 -","8","1","","Fu, Hong-Ru; Kang, Yao; Zhang, Jian","Highly Selective Sorption of Small Hydrocarbons and Photocatalytic Properties of Three Metal-Organic Frameworks Based on Tris(4-(1H-imidazol-1-yl)phenyl)amine Ligand.","Inorganic chemistry","2014","53","8","4209","4214","10.1021/ic5003226","","","1.54178","CuKα","","0.0588","0.0543","","","0.1489","0.1523","","","","","","1.08","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338068","26.15","0.01","15.464","0.005","9.002","0.003","90","","103.994","0.006","90","","3532","2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C27 H23 Cl2 Co N7 O -","- C27 H23 Cl2 Co N7 O -","- C108 H92 Cl8 Co4 N28 O4 -","4","1","","Fu, Hong-Ru; Kang, Yao; Zhang, Jian","Highly Selective Sorption of Small Hydrocarbons and Photocatalytic Properties of Three Metal-Organic Frameworks Based on Tris(4-(1H-imidazol-1-yl)phenyl)amine Ligand.","Inorganic chemistry","2014","53","8","4209","4214","10.1021/ic5003226","","","0.71073","MoKα","","0.0674","0.0608","","","0.1778","0.1835","","","","","","1.04","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338069","11.3419","0.0005","13.1615","0.0006","23.6682","0.0011","78.198","0.002","77.615","0.002","88.162","0.002","3377.7","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H58 B Cu F18 O P4 -","- C73 H58 B Cu F18 O P4 -","- C146 H116 B2 Cu2 F36 O2 P8 -","2","1","","Arenas, Ismael; Fuentes, M Ángeles; Alvarez, Eleuterio; Díaz, Yolanda; Caballero, Ana; Castillón, Sergio; Pérez, Pedro J","Syntheses of a Novel Fluorinated Trisphosphinoborate Ligand and Its Copper and Silver Complexes. Catalytic Activity toward Nitrene Transfer Reactions.","Inorganic chemistry","2014","53","8","3991","3999","10.1021/ic4028223","","","0.71073","MoKα","","0.1392","0.0676","","","0.1679","0.202","","","","","","1.03","","","","has coordinates,has disorder","179483","2020-10-21","18:00:00",""
"4338070","18.1124","0.0006","13.423","0.0005","24.1073","0.0009","90","","106.249","0.001","90","","5626.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H64 Ag B O P4 -","- C67 H64 Ag B O P4 -","- C268 H256 Ag4 B4 O4 P16 -","4","1","","Arenas, Ismael; Fuentes, M Ángeles; Alvarez, Eleuterio; Díaz, Yolanda; Caballero, Ana; Castillón, Sergio; Pérez, Pedro J","Syntheses of a Novel Fluorinated Trisphosphinoborate Ligand and Its Copper and Silver Complexes. Catalytic Activity toward Nitrene Transfer Reactions.","Inorganic chemistry","2014","53","8","3991","3999","10.1021/ic4028223","","","0.71073","MoKα","","0.0446","0.0349","","","0.0927","0.0981","","","","","","1.038","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338071","13.6917","0.0011","36.911","0.003","22.944","0.002","90","","101.431","0.002","90","","11365.3","1.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C207 H146 B4 Cl6 F72 P12 Tl4 -","- C207 H146 B4 Cl6 F72 P12 Tl4 -","- C414 H292 B8 Cl12 F144 P24 Tl8 -","2","0.5","","Arenas, Ismael; Fuentes, M Ángeles; Alvarez, Eleuterio; Díaz, Yolanda; Caballero, Ana; Castillón, Sergio; Pérez, Pedro J","Syntheses of a Novel Fluorinated Trisphosphinoborate Ligand and Its Copper and Silver Complexes. Catalytic Activity toward Nitrene Transfer Reactions.","Inorganic chemistry","2014","53","8","3991","3999","10.1021/ic4028223","","","0.71073","MoKα","","0.0753","0.0605","","","0.1659","0.1741","","","","","","1.115","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338072","10.1543","0.0003","33.376","0.0007","10.673","0.0003","90","","104.838","0.003","90","","3496.57","0.17","110","1","110","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 N3 P Si3 -","- C30 H48 N3 P Si3 -","- C120 H192 N12 P4 Si12 -","4","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","A Tripodal Benzylene-Linked Trisamidophosphine Ligand Scaffold: Synthesis and Coordination Chemistry with Group(IV) Metals.","Inorganic chemistry","2014","53","8","4144","4153","10.1021/ic500163c","","x-ray","0.7107","MoKα","","0.0805","0.0532","","","0.1055","0.1151","","","","","","1.044","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338073","9.609","0.008","16.534","0.012","18.232","0.015","103.949","0.009","92.39","0.017","95.127","0.008","2794","4","100","2","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C50 H89 Li3 N3 O5 P Si3 -","- C50 H89 Li3 N3 O5 P Si3 -","- C100 H178 Li6 N6 O10 P2 Si6 -","2","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","A Tripodal Benzylene-Linked Trisamidophosphine Ligand Scaffold: Synthesis and Coordination Chemistry with Group(IV) Metals.","Inorganic chemistry","2014","53","8","4144","4153","10.1021/ic500163c","","x-ray","0.71073","MoKα","","0.1067","0.0562","","","0.1281","0.1533","","","","","","1.068","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338074","11.604","0.006","11.97","0.006","15.902","0.007","92.052","0.011","109.865","0.009","118.711","0.011","1768.1","1.5","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H51 N4 P Si3 Zr -","- C32 H51 N4 P Si3 Zr -","- C64 H102 N8 P2 Si6 Zr2 -","2","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","A Tripodal Benzylene-Linked Trisamidophosphine Ligand Scaffold: Synthesis and Coordination Chemistry with Group(IV) Metals.","Inorganic chemistry","2014","53","8","4144","4153","10.1021/ic500163c","","x-ray","0.71073","MoKα","","0.0448","0.0346","","","0.0865","0.0955","","","","","","1.065","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338075","11.5891","0.00009","11.9921","0.00011","15.93941","0.0001","92.1162","0.0006","109.777","0.0006","118.755","0.0009","1773.14","0.03","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H51 Hf N4 P Si3 -","- C32 H51 Hf N4 P Si3 -","- C64 H102 Hf2 N8 P2 Si6 -","2","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","A Tripodal Benzylene-Linked Trisamidophosphine Ligand Scaffold: Synthesis and Coordination Chemistry with Group(IV) Metals.","Inorganic chemistry","2014","53","8","4144","4153","10.1021/ic500163c","","x-ray","0.7107","MoKα","","0.0256","0.0236","","","0.0479","0.0486","","","","","","1.144","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338076","18.1196","0.0008","21.4503","0.0011","19.9812","0.0011","90","","105.836","0.005","90","","7471.4","0.7","110","1","110","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C31 H45 F3 Hf N3 O3 P S Si3 -","- C31 H45 F3 Hf N3 O3 P S Si3 -","- C248 H360 F24 Hf8 N24 O24 P8 S8 Si24 -","8","2","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","A Tripodal Benzylene-Linked Trisamidophosphine Ligand Scaffold: Synthesis and Coordination Chemistry with Group(IV) Metals.","Inorganic chemistry","2014","53","8","4144","4153","10.1021/ic500163c","","x-ray","1.5418","CuKα","","0.1058","0.0783","","","0.1783","0.1907","","","","","","1.079","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338077","11.273","0.005","16.455","0.007","19.074","0.009","90","","106.134","0.006","90","","3399","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 Cl N3 P Si3 Ti -","- C30 H45 Cl N3 P Si3 Ti -","- C120 H180 Cl4 N12 P4 Si12 Ti4 -","4","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","A Tripodal Benzylene-Linked Trisamidophosphine Ligand Scaffold: Synthesis and Coordination Chemistry with Group(IV) Metals.","Inorganic chemistry","2014","53","8","4144","4153","10.1021/ic500163c","","x-ray","0.71073","MoKα","","0.0601","0.0377","","","0.083","0.0933","","","","","","1.054","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338078","11.408","0.005","16.448","0.007","19.168","0.01","90","","105.986","0.017","90","","3458","3","100","2","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 Cl N3 P Si3 Zr -","- C30 H45 Cl N3 P Si3 Zr -","- C120 H180 Cl4 N12 P4 Si12 Zr4 -","4","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","A Tripodal Benzylene-Linked Trisamidophosphine Ligand Scaffold: Synthesis and Coordination Chemistry with Group(IV) Metals.","Inorganic chemistry","2014","53","8","4144","4153","10.1021/ic500163c","","x-ray","0.71073","MoKα","","0.0645","0.0371","","","0.0732","0.0823","","","","","","1.02","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338079","11.40019","0.00006","16.50065","0.00007","19.14401","0.0001","90","","105.969","0.0005","90","","3462.23","0.03","110","1","110","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 Cl Hf N3 P Si3 -","- C30 H45 Cl Hf N3 P Si3 -","- C120 H180 Cl4 Hf4 N12 P4 Si12 -","4","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","A Tripodal Benzylene-Linked Trisamidophosphine Ligand Scaffold: Synthesis and Coordination Chemistry with Group(IV) Metals.","Inorganic chemistry","2014","53","8","4144","4153","10.1021/ic500163c","","x-ray","0.7107","MoKα","","0.0234","0.0188","","","0.0379","0.0391","","","","","","1.053","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338080","9.7694","0.0005","11.3071","0.0004","18.5921","0.0007","107.384","0.003","101.288","0.004","92.178","0.003","1911.79","0.15","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H50 Cl2 N3 P Si3 Ti -","- C30 H46 Cl2 N3 P Si3 Ti -","- C60 H92 Cl4 N6 P2 Si6 Ti2 -","2","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","A Tripodal Benzylene-Linked Trisamidophosphine Ligand Scaffold: Synthesis and Coordination Chemistry with Group(IV) Metals.","Inorganic chemistry","2014","53","8","4144","4153","10.1021/ic500163c","","x-ray","1.5418","CuKα","","0.0532","0.0479","","","0.1088","0.1116","","","","","","1.103","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338081","20.297","0.0004","9.31074","0.00014","22.7693","0.0005","90","","112.201","0.003","90","","3983.94","0.16","110","1","110","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H53 Cl N3 P Si3 Ti -","- C37 H53 Cl N3 P Si3 Ti -","- C148 H212 Cl4 N12 P4 Si12 Ti4 -","4","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","A Tripodal Benzylene-Linked Trisamidophosphine Ligand Scaffold: Synthesis and Coordination Chemistry with Group(IV) Metals.","Inorganic chemistry","2014","53","8","4144","4153","10.1021/ic500163c","","x-ray","0.7107","MoKα","","0.0657","0.0451","","","0.1026","0.1122","","","","","","1.039","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338082","15.4536","0.0004","15.5687","0.0004","15.9472","0.0004","74.457","0.002","66.589","0.003","68.283","0.002","3237.94","0.16","110","1","110","1","","","","","","","","8","P -1","-P 1","2","","","","- C66 H54 Cl2 D18 N6 P2 Si2 Ti3 -","- C66 H54 Cl2 D18 N6 P2 Si2 Ti3 -","- C132 H108 Cl4 D36 N12 P4 Si4 Ti6 -","2","1","","Batke, Sonja; Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim","A Tripodal Benzylene-Linked Trisamidophosphine Ligand Scaffold: Synthesis and Coordination Chemistry with Group(IV) Metals.","Inorganic chemistry","2014","53","8","4144","4153","10.1021/ic500163c","","x-ray","1.5418","CuKα","","0.0581","0.0383","","","0.0846","0.0934","","","","","","1.012","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338083","8.7113","0.0003","10.0389","0.0003","17.8182","0.0005","90","","118.193","0.002","90","","1373.37","0.08","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C22 H28 Cl2 O12 Pb S2 -","- C22 H28 Cl2 O12 Pb S2 -","- C44 H56 Cl4 O24 Pb2 S4 -","2","1","","Ryu, Hyunsoo; Park, Ki-Min; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","A Ditopic O4S2 Macrocycle and Its Hard, Soft, and Hard/Soft Metal Complexes Exhibiting Endo-, Exo-, or Endo/Exocyclic Coordination: Synthesis, Crystal Structures, NMR Titration, and Physical Properties.","Inorganic chemistry","2014","53","8","4029","4038","10.1021/ic4030475","","","0.71073","MoKα","","0.0507","0.0478","","","0.1301","0.1332","","","","","","1.081","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338084","9.7472","0.0001","19.4245","0.0003","14.5507","0.0002","90","","118.427","0.001","90","","2422.77","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 Ag2 N2 O14 S4 -","- C44 H54 Ag2 N2 O14 S4 -","- C88 H108 Ag4 N4 O28 S8 -","2","0.5","","Ryu, Hyunsoo; Park, Ki-Min; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","A Ditopic O4S2 Macrocycle and Its Hard, Soft, and Hard/Soft Metal Complexes Exhibiting Endo-, Exo-, or Endo/Exocyclic Coordination: Synthesis, Crystal Structures, NMR Titration, and Physical Properties.","Inorganic chemistry","2014","53","8","4029","4038","10.1021/ic4030475","","","0.71073","MoKα","","0.0274","0.0233","","","0.0547","0.0567","","","","","","1.039","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338085","6.8632","0.0001","18.596","0.0003","9.3849","0.0002","90","","97.289","0.001","90","","1188.1","0.04","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C22 H28 Cu I O4 S2 -","- C22 H28 Cu I O4 S2 -","- C44 H56 Cu2 I2 O8 S4 -","2","0.5","","Ryu, Hyunsoo; Park, Ki-Min; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","A Ditopic O4S2 Macrocycle and Its Hard, Soft, and Hard/Soft Metal Complexes Exhibiting Endo-, Exo-, or Endo/Exocyclic Coordination: Synthesis, Crystal Structures, NMR Titration, and Physical Properties.","Inorganic chemistry","2014","53","8","4029","4038","10.1021/ic4030475","","","0.71073","MoKα","","0.0514","0.0498","","","0.1261","0.1271","","","","","","1.467","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338086","9.1904","0.0006","20.0371","0.0014","15.1204","0.0009","90","","120.884","0.004","90","","2389.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Cu2 I2 O8 S4 -","- C44 H56 Cu2 I2 O8 S4 -","- C88 H112 Cu4 I4 O16 S8 -","2","0.5","","Ryu, Hyunsoo; Park, Ki-Min; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","A Ditopic O4S2 Macrocycle and Its Hard, Soft, and Hard/Soft Metal Complexes Exhibiting Endo-, Exo-, or Endo/Exocyclic Coordination: Synthesis, Crystal Structures, NMR Titration, and Physical Properties.","Inorganic chemistry","2014","53","8","4029","4038","10.1021/ic4030475","","","0.71073","MoKα","","0.0216","0.0203","","","0.0558","0.0573","","","","","","1.031","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338087","12.4226","0.0006","20.6183","0.0009","18.4739","0.0006","90","","129.865","0.002","90","","3631.9","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cu3 I4 N2 Na O4 S2 -","- C26 H34 Cu3 I4 N2 Na O4 S2 -","- C104 H136 Cu12 I16 N8 Na4 O16 S8 -","4","1","","Ryu, Hyunsoo; Park, Ki-Min; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","A Ditopic O4S2 Macrocycle and Its Hard, Soft, and Hard/Soft Metal Complexes Exhibiting Endo-, Exo-, or Endo/Exocyclic Coordination: Synthesis, Crystal Structures, NMR Titration, and Physical Properties.","Inorganic chemistry","2014","53","8","4029","4038","10.1021/ic4030475","","","0.71073","MoKα","","0.0273","0.0219","","","0.0448","0.0465","","","","","","1.057","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338088","12.584","0.003","13.521","0.003","5.7647","0.0012","90","","90.27","0.03","90","","980.8","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Acetylruthenocene","","","- C12 H12 O Ru -","- C12 H12 O Ru -","- C48 H48 O4 Ru4 -","4","1","","Leusmann, Eliza; Wagner, Mona; Rosemann, Nils W.; Chatterjee, Sangam; Dehnen, Stefanie","Synthesis, crystal structure, and photoluminescence studies of a ruthenocenyl-decorated sn/s cluster.","Inorganic chemistry","2014","53","8","4228","4233","10.1021/ic500367y","","","0.71073","MoKα","","0.048","0.023","","","0.0471","0.0508","","","","","","0.836","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338089","11.3247","0.0008","11.4359","0.0008","21.0917","0.0015","95.154","0.006","102.536","0.005","92.727","0.006","2649.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","[(RcAcN=NCMeCH2CMe2Sn)4Sn2S10]","","- C72 H92 N8 Ru4 S10 Sn6 -","- C72 H92 N8 Ru4 S10 Sn6 -","- C72 H92 N8 Ru4 S10 Sn6 -","1","0.5","","Leusmann, Eliza; Wagner, Mona; Rosemann, Nils W.; Chatterjee, Sangam; Dehnen, Stefanie","Synthesis, crystal structure, and photoluminescence studies of a ruthenocenyl-decorated sn/s cluster.","Inorganic chemistry","2014","53","8","4228","4233","10.1021/ic500367y","","","0.71073","MoKα","","0.0609","0.0472","","","0.1319","0.1357","","","","","","0.895","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338090","6.1549","0.0012","10.678","0.002","25.259","0.005","91.801","0.004","90.6","0.004","102.554","0.004","1619.3","0.5","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Br3 Cu5 N4 O11 -","- C24 H19 Br3 Cu5 N4 O11 -","- C48 H38 Br6 Cu10 N8 O22 -","2","1","","Liu, Min-Min; Hou, Juan-Juan; Qi, Zhi-Kai; Duan, Li Na; Ji, Wen-Juan; Han, Cai-Yun; Zhang, Xian-Ming","Tuning of valence States, bonding types, hierarchical structures, and physical properties in copper/halide/isonicotinate system.","Inorganic chemistry","2014","53","8","4130","4143","10.1021/ic5001232","","","0.71073","MoKα","","0.0664","0.0491","","","0.1387","0.1728","","","","","","1.044","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338091","5.951","0.007","10.706","0.011","25.35","0.03","90.92","0.02","90.37","0.02","101.89","0.02","1580","3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Cl3 Cu5 N4 O11 -","- C24 H19 Cl3 Cu5 N4 O11 -","- C48 H38 Cl6 Cu10 N8 O22 -","2","1","","Liu, Min-Min; Hou, Juan-Juan; Qi, Zhi-Kai; Duan, Li Na; Ji, Wen-Juan; Han, Cai-Yun; Zhang, Xian-Ming","Tuning of valence States, bonding types, hierarchical structures, and physical properties in copper/halide/isonicotinate system.","Inorganic chemistry","2014","53","8","4130","4143","10.1021/ic5001232","","","0.71073","MoKα","","0.0996","0.0683","","","0.1384","0.1535","","","","","","1.027","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338092","6.1018","0.0002","21.6019","0.0006","11.0266","0.0003","90","","105.043","0.001","90","","1403.61","0.07","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cl Cu2 N2 O5 -","- C12 H8 Cl Cu2 N2 O5 -","- C48 H32 Cl4 Cu8 N8 O20 -","4","1","","Liu, Min-Min; Hou, Juan-Juan; Qi, Zhi-Kai; Duan, Li Na; Ji, Wen-Juan; Han, Cai-Yun; Zhang, Xian-Ming","Tuning of valence States, bonding types, hierarchical structures, and physical properties in copper/halide/isonicotinate system.","Inorganic chemistry","2014","53","8","4130","4143","10.1021/ic5001232","","","0.71073","MoKα","","0.0225","0.0211","","","0.0557","0.0566","","","","","","1.069","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338093","9.7398","0.0005","13.0223","0.0006","7.1713","0.0003","90","","105.493","0.001","90","","876.52","0.07","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl2 Cu3 N2 O8 -","- C12 H10 Cl2 Cu3 N2 O8 -","- C24 H20 Cl4 Cu6 N4 O16 -","2","0.5","","Liu, Min-Min; Hou, Juan-Juan; Qi, Zhi-Kai; Duan, Li Na; Ji, Wen-Juan; Han, Cai-Yun; Zhang, Xian-Ming","Tuning of valence States, bonding types, hierarchical structures, and physical properties in copper/halide/isonicotinate system.","Inorganic chemistry","2014","53","8","4130","4143","10.1021/ic5001232","","","0.71073","MoKα","","0.0296","0.0268","","","0.0777","0.0803","","","","","","1.085","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338094","9.693","0.009","13.192","0.013","7.432","0.007","90","","105.632","0.016","90","","915.2","1.5","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 Cu3 N2 O8 -","- C12 H10 Br2 Cu3 N2 O8 -","- C24 H20 Br4 Cu6 N4 O16 -","2","0.5","","Liu, Min-Min; Hou, Juan-Juan; Qi, Zhi-Kai; Duan, Li Na; Ji, Wen-Juan; Han, Cai-Yun; Zhang, Xian-Ming","Tuning of valence States, bonding types, hierarchical structures, and physical properties in copper/halide/isonicotinate system.","Inorganic chemistry","2014","53","8","4130","4143","10.1021/ic5001232","","","0.71073","MoKα","","0.0281","0.0239","","","0.0636","0.066","","","","","","1.051","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338095","7.5825","0.0003","10.5201","0.0005","11.2163","0.0005","108.019","0.001","100.59","0.001","105.675","0.001","783.48","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl2 Cu2 N2 O6 -","- C12 H12 Cl2 Cu2 N2 O6 -","- C24 H24 Cl4 Cu4 N4 O12 -","2","1","","Liu, Min-Min; Hou, Juan-Juan; Qi, Zhi-Kai; Duan, Li Na; Ji, Wen-Juan; Han, Cai-Yun; Zhang, Xian-Ming","Tuning of valence States, bonding types, hierarchical structures, and physical properties in copper/halide/isonicotinate system.","Inorganic chemistry","2014","53","8","4130","4143","10.1021/ic5001232","","","0.71073","MoKα","","0.0393","0.0339","","","0.0832","0.0865","","","","","","1.073","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338096","11.3747","0.0004","12.1459","0.0004","12.6348","0.0005","90","","92.6352","0.0007","90","","1743.73","0.11","298","2","298.15","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H13 Cl Cu2 N2 O8 -","- C14 H13 Cl Cu2 N2 O8 -","- C56 H52 Cl4 Cu8 N8 O32 -","4","1","","Liu, Min-Min; Hou, Juan-Juan; Qi, Zhi-Kai; Duan, Li Na; Ji, Wen-Juan; Han, Cai-Yun; Zhang, Xian-Ming","Tuning of valence States, bonding types, hierarchical structures, and physical properties in copper/halide/isonicotinate system.","Inorganic chemistry","2014","53","8","4130","4143","10.1021/ic5001232","","","0.71073","MOKα","","0.0292","0.0263","","","0.075","0.0768","","","","","","1.065","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338097","11.007","0.003","22.483","0.005","12.325","0.003","90","","98.604","0.005","90","","3015.7","1.3","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br7 Cu6 N2 O5 -","- C14 H14 Br7 Cu6 N2 O5 -","- C56 H56 Br28 Cu24 N8 O20 -","4","1","","Liu, Min-Min; Hou, Juan-Juan; Qi, Zhi-Kai; Duan, Li Na; Ji, Wen-Juan; Han, Cai-Yun; Zhang, Xian-Ming","Tuning of valence States, bonding types, hierarchical structures, and physical properties in copper/halide/isonicotinate system.","Inorganic chemistry","2014","53","8","4130","4143","10.1021/ic5001232","","","0.71073","MoKα","","0.1378","0.0704","","","0.2067","0.2494","","","","","","1.027","","","","has coordinates,has disorder","179483","2020-10-21","18:00:00",""
"4338098","7.9345","0.0006","8.6669","0.0007","10.4946","0.0008","88.037","0.002","72.826","0.001","77.796","0.001","673.62","0.09","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Br3 Cu2 N O2 -","- C8 H10 Br3 Cu2 N O2 -","- C16 H20 Br6 Cu4 N2 O4 -","2","1","","Liu, Min-Min; Hou, Juan-Juan; Qi, Zhi-Kai; Duan, Li Na; Ji, Wen-Juan; Han, Cai-Yun; Zhang, Xian-Ming","Tuning of valence States, bonding types, hierarchical structures, and physical properties in copper/halide/isonicotinate system.","Inorganic chemistry","2014","53","8","4130","4143","10.1021/ic5001232","","","0.71073","MoKα","","0.0874","0.0737","","","0.2114","0.2237","","","","","","1.136","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338099","17.84","0.003","8.9328","0.0015","22.386","0.004","90","","93.429","0.006","90","","3561.1","1.1","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C28 H43 Cl4 N9 O3 Pd2 -","- C28 H37 Cl4 N9 O2 Pd2 -","- C112 H148 Cl16 N36 O8 Pd8 -","4","1","","Ghorai, Debasish; Mani, Ganesan","Single-Step Substitution of all the α, β-Positions in Pyrrole: Choice of Binuclear versus Multinuclear Complex of the Novel Polydentate Ligand.","Inorganic chemistry","2014","53","8","4117","4129","10.1021/ic5000974","","","0.71073","MoKα","","0.0974","0.0481","","","0.1035","0.1262","","","","","","1.033","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338100","17.8756","0.0011","17.0372","0.0011","12.9493","0.0008","90","","102.187","0.002","90","","3854.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 Cl3 Cu3 N9 O -","- C32 H45 Cl3 Cu3 N9 O -","- C128 H180 Cl12 Cu12 N36 O4 -","4","1","","Ghorai, Debasish; Mani, Ganesan","Single-Step Substitution of all the α, β-Positions in Pyrrole: Choice of Binuclear versus Multinuclear Complex of the Novel Polydentate Ligand.","Inorganic chemistry","2014","53","8","4117","4129","10.1021/ic5000974","","","0.71073","MoKα","","0.095","0.0459","","","0.1142","0.1432","","","","","","1.012","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338101","11.508","0.0013","12.0734","0.0014","16.0273","0.0018","88.789","0.004","79.613","0.003","71.175","0.003","2071.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H45 Cu3 I3 N9 O -","- C32 H45 Cu3 I3 N9 O -","- C64 H90 Cu6 I6 N18 O2 -","2","1","","Ghorai, Debasish; Mani, Ganesan","Single-Step Substitution of all the α, β-Positions in Pyrrole: Choice of Binuclear versus Multinuclear Complex of the Novel Polydentate Ligand.","Inorganic chemistry","2014","53","8","4117","4129","10.1021/ic5000974","","","0.71073","MoKα","","0.0715","0.0377","","","0.0926","0.1162","","","","","","1.016","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338102","16.546","0.002","13.631","0.002","18.377","0.003","90","","90","","90","","4144.7","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H43 Ag2 B2 F8 N11 -","- C32 H43 Ag2 B2 F8 N11 -","- C128 H172 Ag8 B8 F32 N44 -","4","1","","Ghorai, Debasish; Mani, Ganesan","Single-Step Substitution of all the α, β-Positions in Pyrrole: Choice of Binuclear versus Multinuclear Complex of the Novel Polydentate Ligand.","Inorganic chemistry","2014","53","8","4117","4129","10.1021/ic5000974","","","0.71073","MoKα","","0.0729","0.0419","","","0.0966","0.1113","","","","","","1","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338103","14.4357","0.0015","28.482","0.003","8.5802","0.0009","90","","90","","90","","3527.8","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 Cl5 N9 Pd2 -","- C29 H38 Cl5 N9 Pd2 -","- C116 H152 Cl20 N36 Pd8 -","4","1","","Ghorai, Debasish; Mani, Ganesan","Single-Step Substitution of all the α, β-Positions in Pyrrole: Choice of Binuclear versus Multinuclear Complex of the Novel Polydentate Ligand.","Inorganic chemistry","2014","53","8","4117","4129","10.1021/ic5000974","","","0.71073","MoKα","","0.0891","0.0451","","","0.0987","0.1124","","","","","","0.914","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338104","34.062","0.007","14.332","0.003","14.568","0.003","90","","95.993","0.003","90","","7073","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H80 Cu5 I3 N18 -","- C63 H79 Cu5 I3 N18 -","- C252 H316 Cu20 I12 N72 -","4","0.5","","Ghorai, Debasish; Mani, Ganesan","Single-Step Substitution of all the α, β-Positions in Pyrrole: Choice of Binuclear versus Multinuclear Complex of the Novel Polydentate Ligand.","Inorganic chemistry","2014","53","8","4117","4129","10.1021/ic5000974","","","0.71073","MoKα","","0.1245","0.0572","","","0.1302","0.1683","","","","","","1.043","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338105","12.874","0.003","16.378","0.003","16.669","0.004","90","","103.524","0.007","90","","3417.2","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H78 Ag4 B2 F8 N20 -","- C60 H78 Ag4 B2 F8 N20 -","- C120 H156 Ag8 B4 F16 N40 -","2","0.5","","Ghorai, Debasish; Mani, Ganesan","Single-Step Substitution of all the α, β-Positions in Pyrrole: Choice of Binuclear versus Multinuclear Complex of the Novel Polydentate Ligand.","Inorganic chemistry","2014","53","8","4117","4129","10.1021/ic5000974","","","0.71073","MoKα","","0.1167","0.0511","","","0.0919","0.1151","","","","","","1","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338106","25.48","0.004","14.7785","0.0017","17.786","0.002","90","","108.903","0.007","90","","6336.2","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H39 N9 O2 Pd -","- C30 H39 N9 O2 Pd -","- C240 H312 N72 O16 Pd8 -","8","1","","Ghorai, Debasish; Mani, Ganesan","Single-Step Substitution of all the α, β-Positions in Pyrrole: Choice of Binuclear versus Multinuclear Complex of the Novel Polydentate Ligand.","Inorganic chemistry","2014","53","8","4117","4129","10.1021/ic5000974","","","0.71073","MoKα","","0.1103","0.0554","","","0.1274","0.1533","","","","","","1.036","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338107","17.447","0.004","17.823","0.004","17.148","0.004","90","","100.226","0.009","90","","5248","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 F6 N4 Pt Sb -","- C54 H72 F6 N4 Pt Sb -","- C216 H288 F24 N16 Pt4 Sb4 -","4","0.5","","Rivada-Wheelaghan, Orestes; Roselló-Merino, Marta; Ortuño, Manuel A; Vidossich, Pietro; Gutiérrez-Puebla, Enrique; Lledós, Agustí; Conejero, Salvador","Reactivity of Coordinatively Unsaturated Bis(N-heterocyclic carbene) Pt(II) Complexes toward H2. Crystal Structure of a 14-Electron Pt(II) Hydride Complex.","Inorganic chemistry","2014","53","8","4257","4268","10.1021/ic500705t","","","1.54178","CuKα","","0.0263","0.0227","","","0.0668","0.0758","","","","","","1.161","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338108","13.0241","0.0012","13.3619","0.0014","17.873","0.003","98.136","0.007","97.312","0.007","109.328","0.005","2854.6","0.6","200","1","200","1","","","","","","","","7","P -1","-P 1","2","","","","- C98 H75 F12 N17 O16 Pd2 S4 -","- C98 H66 F12 N17 O16 Pd2 S4 -","- C98 H66 F12 N17 O16 Pd2 S4 -","1","0.5","","Desmarets, Christophe; Gontard, Geoffrey; Cooksy, Andrew L.; Rager, Marie Noelle; Amouri, Hani","Encapsulation of a Metal Complex within a Self-Assembled Nanocage: Synergy Effects, Molecular Structures, and Density Functional Theory Calculations.","Inorganic chemistry","2014","53","9","4287","4294","10.1021/ic402539x","","","0.71073","MoKα","","0.0899","0.072","","","0.2188","0.2394","","","","","","1.077","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338109","12.23","0.0005","13.5899","0.0005","16.4293","0.0007","90.57","0.002","100.104","0.002","105.592","0.002","2584.65","0.18","200","1","200","1","","","","","","","","8","P -1","-P 1","2","","","","- C92 H73 F6 N19 O20 Pd2 Pt S2 -","- C92 H66 F6 N19 O20 Pd2 Pt S2 -","- C92 H66 F6 N19 O20 Pd2 Pt S2 -","1","0.5","","Desmarets, Christophe; Gontard, Geoffrey; Cooksy, Andrew L.; Rager, Marie Noelle; Amouri, Hani","Encapsulation of a Metal Complex within a Self-Assembled Nanocage: Synergy Effects, Molecular Structures, and Density Functional Theory Calculations.","Inorganic chemistry","2014","53","9","4287","4294","10.1021/ic402539x","","","0.71073","MoKα","","0.0653","0.0491","","","0.1379","0.1623","","","","","","1.14","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338110","38.968","0.004","46.919","0.005","4.3266","0.0003","90","","90","","90","","7910.5","1.3","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H19 Cl2 N O3 -","- C23 H19 Cl2 N O3 -","- C368 H304 Cl32 N16 O48 -","16","1","","Zipp, Caitlin F.; Michael, Joseph P.; Fernandes, Manuel A.; Mathura, Sadhna; Perry, Christopher B.; Navizet, Isabelle; Govender, Penny P.; Marques, Helder M.","The synthesis of a corrole analogue of aquacobalamin (vitamin b12a) and its ligand substitution reactions.","Inorganic chemistry","2014","53","9","4418","4429","10.1021/ic5000793","","","0.71073","MoKα","","0.2176","0.0537","","","0.066","0.0976","","","","","","0.715","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338111","4.1955","0.0002","26.054","0.0015","12.1996","0.0008","90","","90.279","0.002","90","","1333.52","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl N O2 -","- C15 H14 Cl N O2 -","- C60 H56 Cl4 N4 O8 -","4","1","","Zipp, Caitlin F.; Michael, Joseph P.; Fernandes, Manuel A.; Mathura, Sadhna; Perry, Christopher B.; Navizet, Isabelle; Govender, Penny P.; Marques, Helder M.","The synthesis of a corrole analogue of aquacobalamin (vitamin b12a) and its ligand substitution reactions.","Inorganic chemistry","2014","53","9","4418","4429","10.1021/ic5000793","","","0.71073","MoKα","","0.0618","0.0396","","","0.0886","0.0954","","","","","","1.015","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338112","6.60306","0.00075","18.0599","0.0016","10.85793","0.0007","90","","90.3736","0.0087","90","","1294.8","0.2","","","298","","","","1013","","","","","3","P 1 21 1","P 2yb","4","CAU-13(o-xylene)","","","- C24 Al2 O10 -","- C24 Al2 O10 -","- C48 Al4 O20 -","2","1","","Niekiel, Felicitas; Lannoeye, Jeroen; Reinsch, Helge; Munn, Alexis S.; Heerwig, Andreas; Zizak, Ivo; Kaskel, Stefan; Walton, Richard I.; de Vos, Dirk; Llewellyn, Philip; Lieb, Alexandra; Maurin, Guillaume; Stock, Norbert","Conformation-Controlled Sorption Properties and Breathing of the Aliphatic Al-MOF [Al(OH)(CDC)].","Inorganic chemistry","2014","53","9","4610","4620","10.1021/ic500288w","","x-ray","1.54187","CuKα","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4338113","6.6237","0.0003","9.4227","0.0003","9.7034","0.0005","108.362","0.002","93.685","0.003","107.395","0.005","540.04","0.05","","","298","","","","1013","","","","","3","P -1","-P 1","2","","","","- C8 Al O5 -","- C8 Al O5 -","- C16 Al2 O10 -","2","1","","Niekiel, Felicitas; Lannoeye, Jeroen; Reinsch, Helge; Munn, Alexis S.; Heerwig, Andreas; Zizak, Ivo; Kaskel, Stefan; Walton, Richard I.; de Vos, Dirk; Llewellyn, Philip; Lieb, Alexandra; Maurin, Guillaume; Stock, Norbert","Conformation-Controlled Sorption Properties and Breathing of the Aliphatic Al-MOF [Al(OH)(CDC)].","Inorganic chemistry","2014","53","9","4610","4620","10.1021/ic500288w","","x-ray","0.825986","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338114","6.61029","0.00034","17.89844","0.00085","11.09887","0.00047","90","","91.2461","0.0036","90","","1312.84","0.11","","","298","","","","1013","","","","","3","P 1 21 1","P 2yb","4","CAU-13(m-xylene)","","","- C24 Al2 O10 -","- C24 Al2 O10 -","- C48 Al4 O20 -","2","1","","Niekiel, Felicitas; Lannoeye, Jeroen; Reinsch, Helge; Munn, Alexis S.; Heerwig, Andreas; Zizak, Ivo; Kaskel, Stefan; Walton, Richard I.; de Vos, Dirk; Llewellyn, Philip; Lieb, Alexandra; Maurin, Guillaume; Stock, Norbert","Conformation-Controlled Sorption Properties and Breathing of the Aliphatic Al-MOF [Al(OH)(CDC)].","Inorganic chemistry","2014","53","9","4610","4620","10.1021/ic500288w","","x-ray","1.54187","CuKα","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4338115","13.2246","0.0016","17.8923","0.0018","11.08364","0.00092","90","","89.801","0.018","90","","2622.6","0.5","","","298","","","","1013","","","","","3","P 1 21 1","P 2yb","4","CAU-13(p-xylene)","","","- C48 Al4 O20 -","- C48 Al4 O20 -","- C96 Al8 O40 -","2","1","","Niekiel, Felicitas; Lannoeye, Jeroen; Reinsch, Helge; Munn, Alexis S.; Heerwig, Andreas; Zizak, Ivo; Kaskel, Stefan; Walton, Richard I.; de Vos, Dirk; Llewellyn, Philip; Lieb, Alexandra; Maurin, Guillaume; Stock, Norbert","Conformation-Controlled Sorption Properties and Breathing of the Aliphatic Al-MOF [Al(OH)(CDC)].","Inorganic chemistry","2014","53","9","4610","4620","10.1021/ic500288w","","x-ray","1.54187","CuKα","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4338116","14.3131","0.0017","15.8611","0.0015","16.521","0.002","70.492","0.004","86.635","0.005","66.389","0.004","3227.1","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H52 Cl6 N4 O0.34 P2 Pd2 Se4 -","- C62 H52 Cl6 N4 O0.34 P2 Pd2 Se4 -","- C124 H104 Cl12 N8 O0.68 P4 Pd4 Se8 -","2","1","","Kimura, Takeshi; Nakahodo, Tsukasa; Fujihara, Hisashi; Suzuki, Eiichi","4,5-Dicyano-3,6-diethylbenzo-1,2-diselenete, a Highly Stable 1,2-Diselenete: Its Preparation, Structural Characterization, Calculated Molecular Orbitals, and Complexation with Tetrakis(triphenylphosphine)palladium.","Inorganic chemistry","2014","53","9","4411","4417","10.1021/ic5000765","","","0.71075","MoKα","","0.0437","0.0365","","","0.0858","0.092","","","","","","1.074","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338117","5.205","0.003","6.871","0.004","8.804","0.005","106.19","0.007","91.612","0.006","103.098","0.005","293.1","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H10 N2 Se2 -","- C12 H10 N2 Se2 -","- C12 H10 N2 Se2 -","1","1","","Kimura, Takeshi; Nakahodo, Tsukasa; Fujihara, Hisashi; Suzuki, Eiichi","4,5-Dicyano-3,6-diethylbenzo-1,2-diselenete, a Highly Stable 1,2-Diselenete: Its Preparation, Structural Characterization, Calculated Molecular Orbitals, and Complexation with Tetrakis(triphenylphosphine)palladium.","Inorganic chemistry","2014","53","9","4411","4417","10.1021/ic5000765","","","0.71075","MoKα","","0.0296","0.0291","","","0.0726","0.0732","","","","","","1.062","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338118","12.19","0.002","8.6768","0.0017","8.3708","0.0017","90","","90","","90","","885.4","0.3","293","2","293","2","","","","","","","synthesis as described","3","P n m a","-P 2ac 2n","62","","Barium Mercuric sulfide","","- Ba2 Hg S5 -","- Ba2 Hg S5 -","- Ba8 Hg4 S20 -","4","0.5","","Islam, Saiful M.; Im, Jino; Freeman, Arthur J.; Kanatzidis, Mercouri G.","Ba2HgS5-A Molecular Trisulfide Salt with Dumbbell-like (HgS2)(2-) Ions.","Inorganic chemistry","2014","53","9","4698","4704","10.1021/ic500388s","","x-ray","0.71073","MoKα","","0.032","0.0202","","","0.0266","0.0281","","","","","","0.88","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338119","8.6647","0.0004","13.9199","0.0005","16.055","0.0006","101.352","0.002","102.329","0.002","95.691","0.002","1834.49","0.13","110","2","110","2","","","","","","","","9","P -1","-P 1","2","JBWW16","","","- C28.5 H36 B Cl2 Co F2 I2 N7 O4.5 -","- C28.5 H33.5 B Cl2 Co F2 I2 N7 O4.5 -","- C57 H67 B2 Cl4 Co2 F4 I4 N14 O9 -","2","1","","Bartelmess, Juergen; Francis, Aaron J.; El Roz, Karim A.; Castellano, Felix N.; Weare, Walter W.; Sommer, Roger D.","Light-Driven Hydrogen Evolution by BODIPY-Sensitized Cobaloxime Catalysts.","Inorganic chemistry","2014","53","9","4527","4534","10.1021/ic500218q","","","0.71073","MoKα","","0.06","0.0421","","","0.1003","0.1089","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338120","8.6485","0.0004","12.5074","0.0005","16.9781","0.0008","82.983","0.002","79.078","0.002","72.351","0.002","1714.27","0.13","110","2","110","2","","","","","","","","9","P -1","-P 1","2","JBWW15 B","","","- C27 H32 B Br2 Cl3 Co F2 N7 O4 -","- C27 H32 B Br2 Cl3 Co F2 N7 O4 -","- C54 H64 B2 Br4 Cl6 Co2 F4 N14 O8 -","2","1","","Bartelmess, Juergen; Francis, Aaron J.; El Roz, Karim A.; Castellano, Felix N.; Weare, Walter W.; Sommer, Roger D.","Light-Driven Hydrogen Evolution by BODIPY-Sensitized Cobaloxime Catalysts.","Inorganic chemistry","2014","53","9","4527","4534","10.1021/ic500218q","","","0.71073","MoKα","","0.0557","0.0365","","","0.0882","0.0958","","","","","","1.018","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338121","15.481","0.002","12.2437","0.0011","9.4722","0.0013","90","","118.609","0.005","90","","1576.2","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H14 N4 O4 Zn -","- C14 H14 N4 O4 Zn -","- C56 H56 N16 O16 Zn4 -","4","1","","Guo, Jin-Shuang; Xu, Gang; Jiang, Xiao-Ming; Zhang, Ming-Jian; Liu, Bin-Wen; Guo, Guo-Cong","A Highly Stable 3D Acentric Zinc Metal-Organic Framework Based on Two Symmetrical Flexible Ligands: High Second-Harmonic-Generation Efficiency and Tunable Photoluminescence.","Inorganic chemistry","2014","53","9","4278","4280","10.1021/ic500315z","","","0.71073","MoKα","","0.0404","0.036","","","0.0663","0.0685","","","","","","0.996","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4338122","10.0492","0.0003","10.0492","0.0003","3.14959","0.00013","90","","90","","90","","318.066","0.019","110","5","110","5","","","","","","","","3","I 4/m","-I 4","87","","","","- Ir4 K O8 -","- Ir4 K O8 -","- Ir8 K2 O16 -","2","0.125","","Talanov, Artem; Phelan, W. Adam; Kelly, Zachary A.; Siegler, Maxime A.; McQueen, Tyrel M.","Control of the Iridium Oxidation State in the Hollandite Iridate Solid Solution K1-xIr4O8.","Inorganic chemistry","2014","53","9","4500","4507","10.1021/ic5001667","","","0.71073","MoKα","","0.0237","0.0208","","","0.041","0.0418","","","","","","1.081","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338123","15.0876","0.0003","11.0682","0.0002","21.9755","0.0006","90","","121.608","0.002","90","","3125.35","0.14","118","4","118","4","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 N2 O4 P2 W2 -","- C35 H30 N2 O4 P2 W2 -","- C140 H120 N8 O16 P8 W8 -","4","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Melón, Sonia; Ruiz, Miguel A.; Toyos, Adrián","Reactions of the Unsaturated Ditungsten Complexes [W2Cp2(μ-PPh2)2(CO)x] (x = 1, 2) with Nitric Oxide: Stereoselective Carbonyl Displacement and Oxygen-Transfer Reactions of a Nitrite Ligand.","Inorganic chemistry","2014","53","9","4739","4750","10.1021/ic500498k","","x-ray","1.54184","CuKα","","0.0417","0.0347","","","0.088","0.094","","","","","","1.062","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338124","11.6012","0.0004","16.5397","0.0004","18.9692","0.0003","81.1647","0.0018","83.415","0.002","76.575","0.002","3486.51","0.16","130","7","130","7","","","","","","","synthesis as described","9","P -1","-P 1","2","","","","- C69 H44 B Cl2 F24 N O3 P2 W2 -","- C69 H44 B Cl2 F24 N O3 P2 W2 -","- C138 H88 B2 Cl4 F48 N2 O6 P4 W4 -","2","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Melón, Sonia; Ruiz, Miguel A.; Toyos, Adrián","Reactions of the Unsaturated Ditungsten Complexes [W2Cp2(μ-PPh2)2(CO)x] (x = 1, 2) with Nitric Oxide: Stereoselective Carbonyl Displacement and Oxygen-Transfer Reactions of a Nitrite Ligand.","Inorganic chemistry","2014","53","9","4739","4750","10.1021/ic500498k","","x-ray","1.54184","CuKα","","0.0495","0.0437","","","0.1129","0.1188","","","","","","1.05","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338125","12.7992","0.0004","14.3171","0.0003","19.8093","0.0005","82.575","0.002","76.783","0.002","87.726","0.002","3504.02","0.16","139","3","139","3","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C73 H50 B F24 N O2 P2 W2 -","- C73 H50 B F24 N O2 P2 W2 -","- C146 H100 B2 F48 N2 O4 P4 W4 -","2","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Melón, Sonia; Ruiz, Miguel A.; Toyos, Adrián","Reactions of the Unsaturated Ditungsten Complexes [W2Cp2(μ-PPh2)2(CO)x] (x = 1, 2) with Nitric Oxide: Stereoselective Carbonyl Displacement and Oxygen-Transfer Reactions of a Nitrite Ligand.","Inorganic chemistry","2014","53","9","4739","4750","10.1021/ic500498k","","x-ray","1.54184","CuKα","","0.0472","0.0431","","","0.1098","0.114","","","","","","1.061","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338126","5.5676","0.0014","10.692","0.003","11.859","0.003","90","","90","","90","","706","0.3","273","2","273","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Co H4 O8 V2 -","- Co H4 O8 V2 -","- Co4 H16 O32 V8 -","4","0.5","","Li, Shaobin; Sun, Wenlong; Wang, Kun; Ma, Huiyuan; Pang, Haijun; Liu, Heng; Zhang, Jianxin","Turn Helical Motifs from Pair to Single Entangled Double Helixes in a Cobalt-Vanadate System via Introduction of a V-Shaped Ligand.","Inorganic chemistry","2014","53","9","4541","4547","10.1021/ic500224m","","","0.71073","MoKα","","0.0266","0.025","","","0.0661","0.0673","","","","","","0.959","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338127","7.981","0.005","8.672","0.005","11.828","0.005","104.092","0.005","97.985","0.005","102.84","0.005","757.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Co N4 O6 V2 -","- C12 H10 Co N4 O6 V2 -","- C24 H20 Co2 N8 O12 V4 -","2","1","","Li, Shaobin; Sun, Wenlong; Wang, Kun; Ma, Huiyuan; Pang, Haijun; Liu, Heng; Zhang, Jianxin","Turn Helical Motifs from Pair to Single Entangled Double Helixes in a Cobalt-Vanadate System via Introduction of a V-Shaped Ligand.","Inorganic chemistry","2014","53","9","4541","4547","10.1021/ic500224m","","","0.71069","MoKα","","0.0437","0.0333","","","0.0736","0.0791","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338128","12.2583","0.0003","13.5867","0.0003","16.9143","0.0004","90","","90","","90","","2817.07","0.11","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Cl2 Hg N O10 S3 -","- C25 H27 Cl2 Hg N O10 S3 -","- C100 H108 Cl8 Hg4 N4 O40 S12 -","4","1","","Lee, Hyeong-Hwan; Park, In-Hyeok; Lee, Shim Sung","Cooperative Effect of Anion and Mole Ratio on the Coordination Modes of an NO2S3-Donor Macrocycle.","Inorganic chemistry","2014","53","9","4763","4769","10.1021/ic500594f","","","0.71073","MoKα","","0.0358","0.0307","","","0.0568","0.0585","","","","","","0.825","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338129","4.9569","0.0004","25.526","0.002","21.0651","0.0016","90","","93.611","0.004","90","","2660.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Br2 Hg N O2 S3 -","- C25 H27 Br2 Hg N O2 S3 -","- C100 H108 Br8 Hg4 N4 O8 S12 -","4","1","","Lee, Hyeong-Hwan; Park, In-Hyeok; Lee, Shim Sung","Cooperative Effect of Anion and Mole Ratio on the Coordination Modes of an NO2S3-Donor Macrocycle.","Inorganic chemistry","2014","53","9","4763","4769","10.1021/ic500594f","","","0.71073","MoKα","","0.079","0.0461","","","0.0793","0.0898","","","","","","1.012","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338130","34.6711","0.0007","13.2665","0.0003","15.1019","0.0003","90","","96.868","0.001","90","","6896.5","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 Br12 Hg6 N2 O4 S6 -","- C50 H50 Br12 Hg6 N2 O4 S6 -","- C200 H200 Br48 Hg24 N8 O16 S24 -","4","0.5","","Lee, Hyeong-Hwan; Park, In-Hyeok; Lee, Shim Sung","Cooperative Effect of Anion and Mole Ratio on the Coordination Modes of an NO2S3-Donor Macrocycle.","Inorganic chemistry","2014","53","9","4763","4769","10.1021/ic500594f","","","0.71073","MoKα","","0.0863","0.071","","","0.1966","0.2088","","","","","","1.069","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338131","10.78","0.002","13.154","0.003","19.292","0.004","95.35","0.03","100.13","0.03","94.48","0.03","2668.7","1","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H47 Cu Fe O P2 S2 -","- C51 H47 Cu Fe O P2 S2 -","- C102 H94 Cu2 Fe2 O2 P4 S4 -","2","1","","Kaub, Christoph; Augenstein, Timo; Bauer, Thomas O.; Rothe, Elisa; Esmezjan, Lars; Schünemann, Volker; Roesky, Peter W.","High-coordinate gold(i) complexes with dithiocarboxylate ligands.","Inorganic chemistry","2014","53","9","4491","4499","10.1021/ic500151j","","","0.71073","MoKα","","0.0607","0.0377","","","0.0904","0.0945","","","","","","0.862","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338132","15.18","0.003","20.75","0.004","16.74","0.003","90","","105.8","0.03","90","","5073.6","1.8","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49.25 H44.5 Au2 Cl0.5 Fe2 P2 S4 -","- C49.25 H44.5 Au2 Cl0.5 Fe2 P2 S4 -","- C197 H178 Au8 Cl2 Fe8 P8 S16 -","4","1","","Kaub, Christoph; Augenstein, Timo; Bauer, Thomas O.; Rothe, Elisa; Esmezjan, Lars; Schünemann, Volker; Roesky, Peter W.","High-coordinate gold(i) complexes with dithiocarboxylate ligands.","Inorganic chemistry","2014","53","9","4491","4499","10.1021/ic500151j","","","0.71073","MoKα","","0.0826","0.0485","","","0.1158","0.1252","","","","","","0.936","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338133","12.348","0.003","13.089","0.003","15.366","0.003","97.82","0.03","95.82","0.03","113.23","0.03","2227.9","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H43 Au Fe O0.5 P2 S2 -","- C49 H43 Au Fe O0.5 P2 S2 -","- C98 H86 Au2 Fe2 O P4 S4 -","2","1","","Kaub, Christoph; Augenstein, Timo; Bauer, Thomas O.; Rothe, Elisa; Esmezjan, Lars; Schünemann, Volker; Roesky, Peter W.","High-coordinate gold(i) complexes with dithiocarboxylate ligands.","Inorganic chemistry","2014","53","9","4491","4499","10.1021/ic500151j","","","0.71073","MoKα","","0.0454","0.031","","","0.077","0.1051","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338134","11.666","0.0003","22.0215","0.0004","23.4212","0.0005","90","","95.9479","0.0018","90","","5984.6","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H53 Au2 Cl Fe P4 S2 -","- C61 H53 Au2 Cl Fe P4 S2 -","- C244 H212 Au8 Cl4 Fe4 P16 S8 -","4","1","","Kaub, Christoph; Augenstein, Timo; Bauer, Thomas O.; Rothe, Elisa; Esmezjan, Lars; Schünemann, Volker; Roesky, Peter W.","High-coordinate gold(i) complexes with dithiocarboxylate ligands.","Inorganic chemistry","2014","53","9","4491","4499","10.1021/ic500151j","","","0.71073","MoKα","","0.0452","0.0308","","","0.0655","0.0687","","","","","","0.923","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338135","8.8884","0.0009","8.8903","0.0008","15.0357","0.0012","80.612","0.007","81.612","0.007","67.214","0.008","1076.26","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H33 K O6 Sn -","- C15 H33 K O6 Sn -","- C30 H66 K2 O12 Sn2 -","2","1","","Kleeberg, Christian; Grunenberg, Jörg; Xie, Xiulan","K-H3C and K-Sn Interactions in Potassium Trimethylstannyl Complexes: A Structural, Mechanochemical, and NMR Study.","Inorganic chemistry","2014","53","9","4400","4410","10.1021/ic500065s","","","1.54184","CuKα","","0.0268","0.0262","","","0.0673","0.0678","","","","","","1.056","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4338136","9.4936","0.0002","16.6351","0.0003","17.0426","0.0003","94.374","0.002","98.663","0.002","102.959","0.002","2576.04","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H82 K2 O14 Sn2 -","- C38 H82 K2 O14 Sn2 -","- C76 H164 K4 O28 Sn4 -","2","1","","Kleeberg, Christian; Grunenberg, Jörg; Xie, Xiulan","K-H3C and K-Sn Interactions in Potassium Trimethylstannyl Complexes: A Structural, Mechanochemical, and NMR Study.","Inorganic chemistry","2014","53","9","4400","4410","10.1021/ic500065s","","","0.71073","MoKα","","0.0308","0.0229","","","0.0494","0.0523","","","","","","1.051","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338137","14.6515","0.001","22.3453","0.0016","14.4641","0.001","90","","99.96","0.005","90","","4664.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H41 K N4 Sn -","- C15 H41 K N4 Sn -","- C120 H328 K8 N32 Sn8 -","8","2","","Kleeberg, Christian; Grunenberg, Jörg; Xie, Xiulan","K-H3C and K-Sn Interactions in Potassium Trimethylstannyl Complexes: A Structural, Mechanochemical, and NMR Study.","Inorganic chemistry","2014","53","9","4400","4410","10.1021/ic500065s","","","1.54178","CuKα","","0.0795","0.0524","","","0.1393","0.1584","","","","","","1.085","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338138","7.6217","0.0012","21.232","0.004","8.1478","0.0013","90","","99.082","0.016","90","","1302","0.4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H41 K O8 Sn -","- C19 H41 K O8 Sn -","- C38 H82 K2 O16 Sn2 -","2","0.5","","Kleeberg, Christian; Grunenberg, Jörg; Xie, Xiulan","K-H3C and K-Sn Interactions in Potassium Trimethylstannyl Complexes: A Structural, Mechanochemical, and NMR Study.","Inorganic chemistry","2014","53","9","4400","4410","10.1021/ic500065s","","","0.71073","MoKα","","0.1024","0.0641","","","0.1339","0.143","","","","","","0.946","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338139","9.267","0.005","11.145","0.003","12.596","0.003","99.6","0.02","95.06","0.03","107.32","0.03","1211.3","0.8","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H31 N O10 P2 Ru4 Se2 -","- C46 H31 N O10 P2 Ru4 Se2 -","- C46 H31 N O10 P2 Ru4 Se2 -","1","0.5","","Shieh, Minghuey; Chu, Yen-Yi; Jang, Li-Fing; Ho, Chia-Hua","CO and CO2 Fixation by Se-Ru-CO Hydride Clusters.","Inorganic chemistry","2014","53","9","4284","4286","10.1021/ic500821z","","","0.71073","Mokα","","0.0637","0.0506","","","0.1381","0.1486","","","","","","1.125","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338140","11.4391","0.0006","24.1395","0.0011","33.9535","0.0016","90","","90","","90","","9375.7","0.8","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O14 Ru5 Se -","- C22 H21 N O14 Ru5 Se -","- C264 H252 N12 O168 Ru60 Se12 -","12","3","","Shieh, Minghuey; Chu, Yen-Yi; Jang, Li-Fing; Ho, Chia-Hua","CO and CO2 Fixation by Se-Ru-CO Hydride Clusters.","Inorganic chemistry","2014","53","9","4284","4286","10.1021/ic500821z","","","0.71073","MoKα","","0.0531","0.0449","","","0.1125","0.1185","","","","","","1.045","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338141","13.5081","0.0004","14.1852","0.0004","20.8051","0.0006","71.234","0.001","82.852","0.001","83.466","0.001","3733.75","0.19","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H45 N2 O26 Ru10 Se4 -","- C42 H45 N2 O26 Ru10 Se4 -","- C84 H90 N4 O52 Ru20 Se8 -","2","1","","Shieh, Minghuey; Chu, Yen-Yi; Jang, Li-Fing; Ho, Chia-Hua","CO and CO2 Fixation by Se-Ru-CO Hydride Clusters.","Inorganic chemistry","2014","53","9","4284","4286","10.1021/ic500821z","","","0.71073","MoKα","","0.0315","0.025","","","0.0791","0.0816","","","","","","1.088","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338142","15.7439","0.0003","20.5616","0.0005","26.8211","0.0006","74.184","0.001","77.959","0.001","79.319","0.001","8093.5","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H70 N3 O52 Ru20 Se8 -","- C78 H70 N3 O52 Ru20 Se8 -","- C156 H140 N6 O104 Ru40 Se16 -","2","1","","Shieh, Minghuey; Chu, Yen-Yi; Jang, Li-Fing; Ho, Chia-Hua","CO and CO2 Fixation by Se-Ru-CO Hydride Clusters.","Inorganic chemistry","2014","53","9","4284","4286","10.1021/ic500821z","","","0.71073","MoKα","","0.1885","0.0768","","","0.1921","0.2202","","","","","","0.916","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338143","15.884","0.0001","20.094","0.0002","26.269","0.0003","74.7875","0.0003","78.0736","0.0003","78.3033","0.0005","7817.38","0.13","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H90 N4 O55 Ru20 Se8 -","- C86 H90 N4 O54.5 Ru20 Se8 -","- C172 H180 N8 O109 Ru40 Se16 -","2","1","","Shieh, Minghuey; Chu, Yen-Yi; Jang, Li-Fing; Ho, Chia-Hua","CO and CO2 Fixation by Se-Ru-CO Hydride Clusters.","Inorganic chemistry","2014","53","9","4284","4286","10.1021/ic500821z","","","0.71073","MoKα","","0.0753","0.051","","","0.1516","0.1713","","","","","","0.828","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338144","6.983","0.0004","19.851","0.0013","12.712","0.0008","90","","100.259","0.002","90","","1733.96","0.19","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N2 O10 Ru4 Se2 -","- C26 H40 N2 O10 Ru4 Se2 -","- C52 H80 N4 O20 Ru8 Se4 -","2","0.5","","Shieh, Minghuey; Chu, Yen-Yi; Jang, Li-Fing; Ho, Chia-Hua","CO and CO2 Fixation by Se-Ru-CO Hydride Clusters.","Inorganic chemistry","2014","53","9","4284","4286","10.1021/ic500821z","","","0.71073","MoKα","","0.0756","0.0549","","","0.1564","0.1757","","","","","","1.086","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338145","17.5632","0.0017","17.5632","0.0017","18.423","0.003","90","","90","","120","","4921.5","1","200","2","200","2","","","","","","","","7","P 65","P 65","170","","","","- C27 H30 Cl3 Cu Mn2 N3 O10 -","- C27 H24 Cl3 Cu Mn2 N3 O10 -","- C162 H144 Cl18 Cu6 Mn12 N18 O60 -","6","1","","Shiga, Takuya; Maruyama, Kazuya; Newton, Graham N.; Inglis, Ross; Brechin, Euan K.; Oshio, Hiroki","Chiral Single-Chain Magnet: Helically Stacked [Mn(III)2Cu(II)] Triangles.","Inorganic chemistry","2014","53","9","4272","4274","10.1021/ic5002418","","","0.71073","MoKα","","0.1362","0.0574","","","0.0883","0.1029","","","","","","0.866","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338146","8.059","0.001","14.707","0.001","12.526","0.001","90","","90.093","0.002","90","","1484.6","0.2","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C12 H15 Ag B F4 N3 O -","- C12 H15 Ag B F4 N3 O -","- C48 H60 Ag4 B4 F16 N12 O4 -","4","1","","Bassanetti, Irene; Twist, Christina P.; Kim, Myung-Gil; Seyam, Afif M.; Bazzi, Hassan S.; Wang, Q. Jane; Chung, Yip-Wah; Marchió, Luciano; Delferro, Massimiliano; Marks, Tobin J.","Synthesis and characterization of silver(i) pyrazolylmethylpyridine complexes and their implementation as metallic silver thin film precursors.","Inorganic chemistry","2014","53","9","4629","4638","10.1021/ic500321w","","","0.71073","MoKα","","0.0613","0.0446","","","0.126","0.1386","","","","","","1.038","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338147","16.225","0.008","16.54","0.007","16.514","0.007","90","","118.75","0.03","90","","3885","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 Ag2 B2 Cl2 F8 N6 O2 -","- C28.99 H39.98 Ag2 B2 Cl1.98 F7.96 N6 O2 -","- C115.96 H159.92 Ag8 B8 Cl7.92 F31.84 N24 O8 -","4","1","","Bassanetti, Irene; Twist, Christina P.; Kim, Myung-Gil; Seyam, Afif M.; Bazzi, Hassan S.; Wang, Q. Jane; Chung, Yip-Wah; Marchió, Luciano; Delferro, Massimiliano; Marks, Tobin J.","Synthesis and characterization of silver(i) pyrazolylmethylpyridine complexes and their implementation as metallic silver thin film precursors.","Inorganic chemistry","2014","53","9","4629","4638","10.1021/ic500321w","","","0.71073","MoKα","","0.0921","0.0376","","","0.0742","0.085","","","","","","1.006","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338148","14.05","0.001","16.735","0.002","8.913","0.001","90","","99.032","0.005","90","","2069.7","0.4","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H27 Ag B F4 N3 O -","- C18 H27 Ag B F4 N3 O -","- C72 H108 Ag4 B4 F16 N12 O4 -","4","1","","Bassanetti, Irene; Twist, Christina P.; Kim, Myung-Gil; Seyam, Afif M.; Bazzi, Hassan S.; Wang, Q. Jane; Chung, Yip-Wah; Marchió, Luciano; Delferro, Massimiliano; Marks, Tobin J.","Synthesis and characterization of silver(i) pyrazolylmethylpyridine complexes and their implementation as metallic silver thin film precursors.","Inorganic chemistry","2014","53","9","4629","4638","10.1021/ic500321w","","","0.71073","MoKα","","0.0743","0.0482","","","0.0913","0.1003","","","","","","1.007","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338149","7.478","0.002","22.283","0.006","9.195","0.003","90","","109.168","0.005","90","","1447.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H15 Ag N4 O4 -","- C12 H15 Ag N4 O4 -","- C48 H60 Ag4 N16 O16 -","4","1","","Bassanetti, Irene; Twist, Christina P.; Kim, Myung-Gil; Seyam, Afif M.; Bazzi, Hassan S.; Wang, Q. Jane; Chung, Yip-Wah; Marchió, Luciano; Delferro, Massimiliano; Marks, Tobin J.","Synthesis and characterization of silver(i) pyrazolylmethylpyridine complexes and their implementation as metallic silver thin film precursors.","Inorganic chemistry","2014","53","9","4629","4638","10.1021/ic500321w","","","0.71073","MoKα","","0.0564","0.0376","","","0.0918","0.1012","","","","","","1.014","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338150","10.585","0.003","11.735","0.003","16.013","0.004","108.122","0.004","105.492","0.005","94.63","0.004","1792.3","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H40 Ag2 Cl N8 O8.5 -","- C28.5 H40 Ag2 Cl N8 O8.5 -","- C57 H80 Ag4 Cl2 N16 O17 -","2","1","","Bassanetti, Irene; Twist, Christina P.; Kim, Myung-Gil; Seyam, Afif M.; Bazzi, Hassan S.; Wang, Q. Jane; Chung, Yip-Wah; Marchió, Luciano; Delferro, Massimiliano; Marks, Tobin J.","Synthesis and characterization of silver(i) pyrazolylmethylpyridine complexes and their implementation as metallic silver thin film precursors.","Inorganic chemistry","2014","53","9","4629","4638","10.1021/ic500321w","","","0.71073","MoKα","","0.1173","0.056","","","0.1199","0.144","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338151","12.286","0.005","17.512","0.007","21.794","0.008","107.455","0.007","103.456","0.008","101.335","0.008","4167","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H108 Ag4 N16 O16 -","- C72 H108 Ag4 N16 O16 -","- C144 H216 Ag8 N32 O32 -","2","1","","Bassanetti, Irene; Twist, Christina P.; Kim, Myung-Gil; Seyam, Afif M.; Bazzi, Hassan S.; Wang, Q. Jane; Chung, Yip-Wah; Marchió, Luciano; Delferro, Massimiliano; Marks, Tobin J.","Synthesis and characterization of silver(i) pyrazolylmethylpyridine complexes and their implementation as metallic silver thin film precursors.","Inorganic chemistry","2014","53","9","4629","4638","10.1021/ic500321w","","","0.71073","MoKα","","0.1438","0.0579","","","0.085","0.1045","","","","","","0.96","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338152","23.1481","0.0004","4.4736","0.0001","11.0128","0.0002","90","","90","","90","","1140.43","0.04","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag1.05 Ca5 Ge5 Mg0.95 -","- Ag1.05 Ca5 Ge5 Mg0.95 -","- Ag4.2 Ca20 Ge20 Mg3.8 -","4","0.5","","Ponou, Siméon; Lidin, Sven; Zhang, Yuemei; Miller, Gordon J.","Valence State Driven Site Preference in the Quaternary Compound Ca5MgAgGe5: An Electron-Deficient Phase with Optimized Bonding.","Inorganic chemistry","2014","53","9","4724","4732","10.1021/ic500449d","","","0.71073","MoKα","","0.0586","0.0368","","","0.0701","0.0734","","","","","","1.091","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338153","20.5936","0.0013","11.5366","0.0007","21.81","0.002","90","","111.952","0.001","90","","4805.9","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50.3 H69.7 Cu3 N6 O0.35 S -","- C50.3 H69.7 Cu3 N6 O0.35 S -","- C201.2 H278.8 Cu12 N24 O1.4 S4 -","4","1","","Di Francesco, Gianna N.; Gaillard, Aleth; Ghiviriga, Ion; Abboud, Khalil A.; Murray, Leslie J.","Modeling biological copper clusters: synthesis of a tricopper complex, and its chloride- and sulfide-bridged congeners.","Inorganic chemistry","2014","53","9","4647","4654","10.1021/ic500333p","","","0.71073","MoKα","","0.0465","0.0382","","","0.095","0.0977","","","","","","1.008","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338154","23.4","0.002","13.757","0.0013","18.4689","0.0017","90","","90","","90","","5945.4","0.9","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C61 H95 Cl Cu3 K N6 O4 -","- C61 H95 Cl Cu3 K N6 O4 -","- C244 H380 Cl4 Cu12 K4 N24 O16 -","4","1","","Di Francesco, Gianna N.; Gaillard, Aleth; Ghiviriga, Ion; Abboud, Khalil A.; Murray, Leslie J.","Modeling biological copper clusters: synthesis of a tricopper complex, and its chloride- and sulfide-bridged congeners.","Inorganic chemistry","2014","53","9","4647","4654","10.1021/ic500333p","","","0.71073","MoKα","","0.0424","0.03","","","0.062","0.0651","","","","","","0.971","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338155","20.3816","0.001","20.3816","0.001","18.511","0.0017","90","","90","","120","","6659.4","0.8","193","2","193","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C3 H90 Al7 In6 N15 O96 -","- Al7 H72 In6 N12 O84 -","- Al21 H216 In18 N36 O252 -","3","0.166667","","Kamunde-Devonish, Maisha K; Jackson, Jr, Milton N; Mensinger, Zachary L.; Zakharov, Lev N.; Johnson, Darren W.","Transmetalation of aqueous inorganic clusters: a useful route to the synthesis of heterometallic aluminum and indium hydroxo-aquo clusters.","Inorganic chemistry","2014","53","14","7101","7105","10.1021/ic403121r","","","0.71073","MoKα","","0.0171","0.0163","","","0.0435","0.0439","","","","","","1.107","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338156","6.1995","0.0013","19.91","0.004","24.478","0.005","90","","96.343","0.006","90","","3002.9","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N5 -","- C17 H13 N5 -","- C136 H104 N40 -","8","2","","Ghosh, Pradip; Samanta, Subhas; Roy, Suman K.; Demeshko, Serhiy; Meyer, Franc; Goswami, Sreebrata","Introducing a new azoaromatic pincer ligand. Isolation and characterization of redox events in its ferrous complexes.","Inorganic chemistry","2014","53","9","4678","4686","10.1021/ic500355f","","","0.71073","MoKα","","0.0709","0.0363","","","0.0729","0.0875","","","","","","0.995","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338157","13.334","0.002","14.982","0.003","17.158","0.003","90","","90","","90","","3427.7","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 Cl2 Fe N5 -","- C17 H13 Cl2 Fe N5 -","- C136 H104 Cl16 Fe8 N40 -","8","1","","Ghosh, Pradip; Samanta, Subhas; Roy, Suman K.; Demeshko, Serhiy; Meyer, Franc; Goswami, Sreebrata","Introducing a new azoaromatic pincer ligand. Isolation and characterization of redox events in its ferrous complexes.","Inorganic chemistry","2014","53","9","4678","4686","10.1021/ic500355f","","","0.71073","MoKα","","0.045","0.0327","","","0.0786","0.0851","","","","","","1.048","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338158","14.521","0.005","27.079","0.005","32.807","0.005","90","0.005","90","0.005","90","0.005","12900","5","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C34 H26 F6 Fe N10 P -","- C34 H26 F6 Fe N10 P -","- C544 H416 F96 Fe16 N160 P16 -","16","0.5","","Ghosh, Pradip; Samanta, Subhas; Roy, Suman K.; Demeshko, Serhiy; Meyer, Franc; Goswami, Sreebrata","Introducing a new azoaromatic pincer ligand. Isolation and characterization of redox events in its ferrous complexes.","Inorganic chemistry","2014","53","9","4678","4686","10.1021/ic500355f","","","0.71073","MoKα","","0.0481","0.0362","","","0.1056","0.1339","","","","","","0.779","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338159","33.7242","0.0026","10.6096","0.0008","21.0186","0.0016","90","","104.059","0.001","90","","7295.2","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cetrai","","","- C39 H66 Ce N -","- C39 H66 Ce N -","- C312 H528 Ce8 N8 -","8","1","","Perrin, Lionel; Werkema, Evan L.; Eisenstein, Odile; Andersen, Richard A.","Two [1,2,4-(Me3C)3C5H2]2CeH Molecules are Involved in Hydrogenation of Pyridine to Piperidine as Shown by Experiments and Computations.","Inorganic chemistry","2014","53","13","6361","6373","10.1021/ic500133y","","","0.71073","MoKα","","0.0409","0.0315","","","0.0682","0.0735","","","","","","1.049","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338160","33.6814","0.0014","10.668","0.0004","21.0852","0.0009","90","","103.594","0.001","90","","7363.9","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cepip","","","- C39 H68 Ce N -","- C39 H68 Ce N -","- C312 H544 Ce8 N8 -","8","1","","Perrin, Lionel; Werkema, Evan L.; Eisenstein, Odile; Andersen, Richard A.","Two [1,2,4-(Me3C)3C5H2]2CeH Molecules are Involved in Hydrogenation of Pyridine to Piperidine as Shown by Experiments and Computations.","Inorganic chemistry","2014","53","13","6361","6373","10.1021/ic500133y","","","0.71073","MoKα","","0.0175","0.0167","","","0.0433","0.0441","","","","","","1.067","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338161","22.5721","0.0005","8.806","0.0002","22.5134","0.0005","90","","108.192","0.0014","90","","4251.31","0.17","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 Cr2 F6 N12 O6 S2 -","- C42 H32 Cr2 F6 N12 O6 S2 -","- C168 H128 Cr8 F24 N48 O24 S8 -","4","1","","Brogden, David W.; Turov, Yevgeniya; Nippe, Michael; Li Manni, Giovanni; Hillard, Elizabeth A.; Clérac, Rodolphe; Gagliardi, Laura; Berry, John F.","Oxidative stretching of metal-metal bonds to their limits.","Inorganic chemistry","2014","53","9","4777","4790","10.1021/ic5007204","","x-ray","0.71073","MoKα","","0.0626","0.0406","","","0.0938","0.1048","","","","","","1.016","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338162","21.8793","0.0006","12.7419","0.0004","17.789","0.0005","90","","120.994","0.001","90","","4251.2","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 F6 Mo2 N12 O6 S2 -","- C42 H32 F6 Mo2 N12 O6 S2 -","- C168 H128 F24 Mo8 N48 O24 S8 -","4","0.5","","Brogden, David W.; Turov, Yevgeniya; Nippe, Michael; Li Manni, Giovanni; Hillard, Elizabeth A.; Clérac, Rodolphe; Gagliardi, Laura; Berry, John F.","Oxidative stretching of metal-metal bonds to their limits.","Inorganic chemistry","2014","53","9","4777","4790","10.1021/ic5007204","","","0.71073","MoKα","","0.0188","0.018","","","0.0471","0.0476","","","","","","1.038","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338163","21.7812","0.0009","12.7699","0.0005","17.7974","0.0007","90","","120.937","0.003","90","","4246","0.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","MoW(dpa)4(OTf)2","","","- C42 H32 F6 Mo N12 O6 S2 W -","- C42 H32 F6 Mo N12 O6 S2 W -","- C168 H128 F24 Mo4 N48 O24 S8 W4 -","4","0.5","","Brogden, David W.; Turov, Yevgeniya; Nippe, Michael; Li Manni, Giovanni; Hillard, Elizabeth A.; Clérac, Rodolphe; Gagliardi, Laura; Berry, John F.","Oxidative stretching of metal-metal bonds to their limits.","Inorganic chemistry","2014","53","9","4777","4790","10.1021/ic5007204","","","1.54178","CuKα","","0.0461","0.0313","","","0.0711","0.0773","","","","","","1.023","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338164","21.6413","0.001","12.797","0.0006","17.8278","0.0008","90","","120.848","0.002","90","","4238.8","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 F6 N12 O6 S2 W2 -","- C42 H32 F6 N12 O6 S2 W2 -","- C168 H128 F24 N48 O24 S8 W8 -","4","0.5","","Brogden, David W.; Turov, Yevgeniya; Nippe, Michael; Li Manni, Giovanni; Hillard, Elizabeth A.; Clérac, Rodolphe; Gagliardi, Laura; Berry, John F.","Oxidative stretching of metal-metal bonds to their limits.","Inorganic chemistry","2014","53","9","4777","4790","10.1021/ic5007204","","","0.71073","MoKα","","0.0163","0.0134","","","0.0318","0.033","","","","","","1.09","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338165","14.073","0.0004","15.7381","0.0005","17.0039","0.0005","71.677","0.001","69.779","0.001","77.437","0.001","3329.63","0.17","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H64 B F3 Mo2 N13 O5 S -","- C71 H64 B F3 Mo2 N13 O5 S -","- C142 H128 B2 F6 Mo4 N26 O10 S2 -","2","1","","Brogden, David W.; Turov, Yevgeniya; Nippe, Michael; Li Manni, Giovanni; Hillard, Elizabeth A.; Clérac, Rodolphe; Gagliardi, Laura; Berry, John F.","Oxidative stretching of metal-metal bonds to their limits.","Inorganic chemistry","2014","53","9","4777","4790","10.1021/ic5007204","","","0.71073","MoKα","","0.0366","0.0312","","","0.0825","0.0866","","","","","","1.026","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338166","14.0889","0.0005","15.7173","0.0005","16.9811","0.0006","71.584","0.002","69.862","0.002","77.42","0.002","3324.4","0.2","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C71 H64 B F3 Mo N13 O5 S W -","- C71 H64 B F3 Mo N13 O5 S W -","- C142 H128 B2 F6 Mo2 N26 O10 S2 W2 -","2","1","","Brogden, David W.; Turov, Yevgeniya; Nippe, Michael; Li Manni, Giovanni; Hillard, Elizabeth A.; Clérac, Rodolphe; Gagliardi, Laura; Berry, John F.","Oxidative stretching of metal-metal bonds to their limits.","Inorganic chemistry","2014","53","9","4777","4790","10.1021/ic5007204","","x-ray","0.71073","MoKα","K-L~3~","0.0333","0.0279","","","0.0799","0.0828","","","","","","1.049","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338167","14.0857","0.0006","15.7157","0.0006","16.9784","0.0007","71.752","0.002","69.914","0.002","77.51","0.002","3327.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H65 B F3 N13 O5 S W2 -","- C71 H65 B F3 N13 O5 S W2 -","- C142 H130 B2 F6 N26 O10 S2 W4 -","2","1","","Brogden, David W.; Turov, Yevgeniya; Nippe, Michael; Li Manni, Giovanni; Hillard, Elizabeth A.; Clérac, Rodolphe; Gagliardi, Laura; Berry, John F.","Oxidative stretching of metal-metal bonds to their limits.","Inorganic chemistry","2014","53","9","4777","4790","10.1021/ic5007204","","","0.71073","MoKα","","0.0515","0.0495","","","0.1318","0.1337","","","","","","1.077","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338168","16.5234","0.0008","8.7975","0.0005","27.9784","0.0013","90","","104.553","0.003","90","","3936.6","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","MoW(dpa)4(OTf)","","","- C41 H32 F3 Mo N12 O3 S W -","- C41 H32 F3 Mo N12 O3 S W -","- C164 H128 F12 Mo4 N48 O12 S4 W4 -","4","1","","Brogden, David W.; Turov, Yevgeniya; Nippe, Michael; Li Manni, Giovanni; Hillard, Elizabeth A.; Clérac, Rodolphe; Gagliardi, Laura; Berry, John F.","Oxidative stretching of metal-metal bonds to their limits.","Inorganic chemistry","2014","53","9","4777","4790","10.1021/ic5007204","","","0.71073","MoKα","","0.0604","0.039","","","0.0837","0.0916","","","","","","1.027","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338169","10.544","0.011","10.858","0.009","11.739","0.01","114","0.03","94.84","0.05","93.09","0.05","1218","2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H24 Cl4 N8 O12 Ru2 S2 -","- C44 H24 Cl4 N8 O12 Ru2 S2 -","- C44 H24 Cl4 N8 O12 Ru2 S2 -","1","0.5","","Nishio, Masaki; Miyasaka, Hitoshi","Magnetic sponge phenomena associated with interchain dipole-dipole interactions in a series of ferrimagnetic chain compounds doped with minor diamagnetic species.","Inorganic chemistry","2014","53","9","4716","4723","10.1021/ic500413j","","","0.71075","MoKα","","","0.0724","","","","0.1907","","","","","","1.074","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338170","9.1005","0.0004","10.1855","0.0004","9.1118","0.0005","90","","90","","90","","844.6","0.07","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al10 Os2 Yb -","- Al10 Os2 Yb -","- Al40 Os8 Yb4 -","4","0.25","","Zhang, Xu; Yi, Wei; Feng, Kai; Wu, Desheng; Yang, Yifeng; Zheng, Ping; Yao, Jiyong; Matsushita, Yoshitaka; Sato, Akira; Jiang, Hongwei; Wang, Hai; Shi, Youguo; Yamaura, Kazunari; Wang, Nanlin","Crystal Growth, Structural, Electrical, and Magnetic Properties of Mixed-Valent Compounds YbOs2Al10 and LuOs2Al10.","Inorganic chemistry","2014","53","9","4387","4393","10.1021/ic403168v","","","0.71073","MoKα","","0.0291","0.0288","","","0.0793","0.0795","","","","","","1.442","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338171","9.0947","0.0004","10.1608","0.0005","9.1007","0.0004","90","","90","","90","","840.99","0.07","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al10 Lu Os2 -","- Al10 Lu Os2 -","- Al40 Lu4 Os8 -","4","0.25","","Zhang, Xu; Yi, Wei; Feng, Kai; Wu, Desheng; Yang, Yifeng; Zheng, Ping; Yao, Jiyong; Matsushita, Yoshitaka; Sato, Akira; Jiang, Hongwei; Wang, Hai; Shi, Youguo; Yamaura, Kazunari; Wang, Nanlin","Crystal Growth, Structural, Electrical, and Magnetic Properties of Mixed-Valent Compounds YbOs2Al10 and LuOs2Al10.","Inorganic chemistry","2014","53","9","4387","4393","10.1021/ic403168v","","","0.71073","MoKα","","0.0363","0.0357","","","0.0904","0.0909","","","","","","1.09","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338172","12.8088","0.0002","13.6552","0.0002","13.8864","0.0003","103.273","0.001","112.614","0.001","107.779","0.001","1961.62","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H64 Au3 F18 O P9 -","- C67 H64 Au3 F18 O P9 -","- C67 H64 Au3 F18 O P9 -","1","0.5","","Dau, Minh Thuy; Shakirova, Julia R.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Melnikov, Alexey S.; Pakkanen, Tapani A.; Koshevoy, Igor O.","Coinage metal complexes supported by the tri- and tetraphosphine ligands.","Inorganic chemistry","2014","53","9","4705","4715","10.1021/ic500402m","","","0.71073","MoKα","","0.026","0.0233","","","0.0667","0.0686","","","","","","1.091","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338173","13.4925","0.0002","13.9213","0.0002","14.0484","0.0003","114.411","0.001","104.127","0.001","106.138","0.001","2104.89","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H86 Au Cl4 Cu2 F18 O4 P9 -","- C74 H86 Au Cl4 Cu2 F18 O4 P9 -","- C74 H86 Au Cl4 Cu2 F18 O4 P9 -","1","0.5","","Dau, Minh Thuy; Shakirova, Julia R.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Melnikov, Alexey S.; Pakkanen, Tapani A.; Koshevoy, Igor O.","Coinage metal complexes supported by the tri- and tetraphosphine ligands.","Inorganic chemistry","2014","53","9","4705","4715","10.1021/ic500402m","","","0.71073","MoKα","","0.0255","0.0253","","","0.0627","0.0628","","","","","","1.083","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338174","13.4279","0.0002","13.9089","0.0002","14.3467","0.0003","114.208","0.001","103.708","0.001","106.309","0.001","2147.39","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H86 Ag2 Au Cl4 F18 O4 P9 -","- C74 H86 Ag2 Au Cl4 F18 O4 P9 -","- C74 H86 Ag2 Au Cl4 F18 O4 P9 -","1","0.5","","Dau, Minh Thuy; Shakirova, Julia R.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Melnikov, Alexey S.; Pakkanen, Tapani A.; Koshevoy, Igor O.","Coinage metal complexes supported by the tri- and tetraphosphine ligands.","Inorganic chemistry","2014","53","9","4705","4715","10.1021/ic500402m","","","0.71073","MoKα","","0.0344","0.031","","","0.077","0.079","","","","","","1.047","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338175","14.397","0.0008","18.6453","0.0011","27.3658","0.0015","90","","90","","90","","7346","0.7","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C69 H68 Ag2 Au Cl3 N2 O13 P6 -","- C69 H68 Ag2 Au Cl3 N2 O13 P6 -","- C276 H272 Ag8 Au4 Cl12 N8 O52 P24 -","4","1","","Dau, Minh Thuy; Shakirova, Julia R.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Melnikov, Alexey S.; Pakkanen, Tapani A.; Koshevoy, Igor O.","Coinage metal complexes supported by the tri- and tetraphosphine ligands.","Inorganic chemistry","2014","53","9","4705","4715","10.1021/ic500402m","","","0.71073","MoKα","","0.0528","0.045","","","0.1169","0.1209","","","","","","1.042","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338176","31.6581","0.0004","15.6456","0.0002","18.729","0.0002","90","","90","","90","","9276.66","0.19","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C86 H84 Ag4 Cl4 N4 O16 P8 -","- C86 H84 Ag4 Cl4 N4 O16 P8 -","- C344 H336 Ag16 Cl16 N16 O64 P32 -","4","1","","Dau, Minh Thuy; Shakirova, Julia R.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Melnikov, Alexey S.; Pakkanen, Tapani A.; Koshevoy, Igor O.","Coinage metal complexes supported by the tri- and tetraphosphine ligands.","Inorganic chemistry","2014","53","9","4705","4715","10.1021/ic500402m","","","0.71073","MoKα","","0.0468","0.0349","","","0.0778","0.0826","","","","","","1.023","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338177","15.6716","0.0002","23.9478","0.0003","30.3461","0.0004","90","","92.53","0.001","90","","11377.8","0.3","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C94 H101 Au4 Cl4 F24 N5 O P12 -","- C94 H101 Au4 Cl4 F24 N5 O P12 -","- C376 H404 Au16 Cl16 F96 N20 O4 P48 -","4","1","","Dau, Minh Thuy; Shakirova, Julia R.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Melnikov, Alexey S.; Pakkanen, Tapani A.; Koshevoy, Igor O.","Coinage metal complexes supported by the tri- and tetraphosphine ligands.","Inorganic chemistry","2014","53","9","4705","4715","10.1021/ic500402m","","","0.71073","MoKα","","0.0537","0.037","","","0.0913","0.0997","","","","","","1.009","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338178","31.4363","0.0008","15.7649","0.0004","18.7672","0.0005","90","","90","","90","","9300.8","0.4","120","2","120","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C84 H81 Ag3 Au Cl4 N3 O16 P8 -","- C84 H81 Ag3 Au Cl4 N3 O16 P8 -","- C336 H324 Ag12 Au4 Cl16 N12 O64 P32 -","4","1","","Dau, Minh Thuy; Shakirova, Julia R.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Melnikov, Alexey S.; Pakkanen, Tapani A.; Koshevoy, Igor O.","Coinage metal complexes supported by the tri- and tetraphosphine ligands.","Inorganic chemistry","2014","53","9","4705","4715","10.1021/ic500402m","","","0.71073","MoKα","","0.056","0.0413","","","0.1066","0.1126","","","","","","1.028","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338179","14.1475","0.0004","18.0246","0.0004","22.1117","0.0005","69.318","0.001","86.891","0.001","85.612","0.001","5257.5","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H91 Au2 Cu2 F24 N5 O P12 -","- C89 H91 Au2 Cu2 F24 N5 O P12 -","- C178 H182 Au4 Cu4 F48 N10 O2 P24 -","2","1","","Dau, Minh Thuy; Shakirova, Julia R.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Melnikov, Alexey S.; Pakkanen, Tapani A.; Koshevoy, Igor O.","Coinage metal complexes supported by the tri- and tetraphosphine ligands.","Inorganic chemistry","2014","53","9","4705","4715","10.1021/ic500402m","","","0.71073","MoKα","","0.0632","0.0385","","","0.095","0.1055","","","","","","1.021","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338180","8.7871","0.0005","20.1719","0.0012","13.697","0.0008","90","","92.069","0.001","90","","2426.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-(di(acetylacetonate)-iron(II)- di(acetylacetonate)-lead(II))","","- C20 H28 Fe O8 Pb -","- C20 H28 Fe O8 Pb -","- C80 H112 Fe4 O32 Pb4 -","4","1","","Lieberman, Craig M.; Navulla, Anantharamulu; Zhang, Haitao; Filatov, Alexander S.; Dikarev, Evgeny V.","Mixed-ligand approach to design of heterometallic single-source precursors with discrete molecular structure.","Inorganic chemistry","2014","53","9","4733","4738","10.1021/ic5004885","","","0.71073","MoKα","","0.0762","0.0422","","","0.0851","0.0977","","","","","","1.001","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338181","10.892","0.002","12.228","0.002","13.206","0.003","96.5","0.03","110.97","0.03","115.89","0.03","1399.5","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","catena-(di(trifluoroacetylacetonate)-iron(II)- di(trifluoroacetylacetonate)-lead(II))","","- C20 H16 F12 Fe O8 Pb -","- C20 H16 F12 Fe O8 Pb -","- C40 H32 F24 Fe2 O16 Pb2 -","2","1","","Lieberman, Craig M.; Navulla, Anantharamulu; Zhang, Haitao; Filatov, Alexander S.; Dikarev, Evgeny V.","Mixed-ligand approach to design of heterometallic single-source precursors with discrete molecular structure.","Inorganic chemistry","2014","53","9","4733","4738","10.1021/ic5004885","","","0.71073","MoKα","","0.0493","0.0472","","","0.1504","0.1532","","","","","","1.059","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338182","10.7055","0.0012","10.8086","0.0013","10.8716","0.0019","114.154","0.004","90.901","0.006","97.771","0.004","1133.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","catena-(di(hexafluoroacetylacetonate)-iron(II)- bis-(di(hexafluoroacetylacetonate)-lead(II))","","- C30 H6 F36 Fe O12 Pb2 -","- C30 H6 F36 Fe O12 Pb2 -","- C30 H6 F36 Fe O12 Pb2 -","1","0.5","","Lieberman, Craig M.; Navulla, Anantharamulu; Zhang, Haitao; Filatov, Alexander S.; Dikarev, Evgeny V.","Mixed-ligand approach to design of heterometallic single-source precursors with discrete molecular structure.","Inorganic chemistry","2014","53","9","4733","4738","10.1021/ic5004885","","","0.71073","Mo-Kα","","0.0585","0.0512","","","0.125","0.1305","","","","","","1.089","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4338183","11.6773","0.0019","18.927","0.003","13.844","0.002","90","","105.021","0.002","90","","2955.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(di(hexafluoroacetylacetonate)-iron(II)- bis((acetylacetonate)(hexafluoroacetylacetonate)-lead(II))","","- C40 H20 F36 Fe2 O16 Pb2 -","- C40 H20 F36 Fe2 O16 Pb2 -","- C80 H40 F72 Fe4 O32 Pb4 -","2","0.5","","Lieberman, Craig M.; Navulla, Anantharamulu; Zhang, Haitao; Filatov, Alexander S.; Dikarev, Evgeny V.","Mixed-ligand approach to design of heterometallic single-source precursors with discrete molecular structure.","Inorganic chemistry","2014","53","9","4733","4738","10.1021/ic5004885","","","0.71073","Mo-Kα","","0.044","0.0313","","","0.0735","0.0803","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338184","12.7195","0.0006","14.3046","0.0007","21.7466","0.001","91.809","0.001","93.085","0.001","106.23","0.001","3789.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H81 Cl4 N21 Ni4 O26 -","- C57 H80 Cl4 N21 Ni4 O26 -","- C114 H160 Cl8 N42 Ni8 O52 -","2","1","","Reger, Daniel L.; Pascui, Andrea E.; Pellechia, Perry J.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Hydroxide-Bridged Cubane Complexes of Nickel(II) and Cadmium(II): Magnetic, EPR, and Unusual Dynamic Properties.","Inorganic chemistry","2014","53","9","4325","4339","10.1021/ic403013d","","","0.71073","MoKα","","0.0694","0.0569","","","0.1542","0.165","","","","","","1.037","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338185","21.7442","0.0012","17.5713","0.001","22.1788","0.0012","90","","115.89","0.001","90","","7623.4","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55.67 H83.34 Cl4 N20 Ni4 O28 -","- C55.672 H81.344 Cl4 N20 Ni4 O28 -","- C222.688 H325.376 Cl16 N80 Ni16 O112 -","4","0.5","","Reger, Daniel L.; Pascui, Andrea E.; Pellechia, Perry J.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Hydroxide-Bridged Cubane Complexes of Nickel(II) and Cadmium(II): Magnetic, EPR, and Unusual Dynamic Properties.","Inorganic chemistry","2014","53","9","4325","4339","10.1021/ic403013d","","","0.71073","MoKα","","0.0661","0.0497","","","0.1314","0.1393","","","","","","1.022","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338186","13.5923","0.0007","21.1444","0.0011","24.2774","0.0012","90","","90.117","0.001","90","","6977.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 Cd4 Cl4 N16 O26 -","- C52 H68 Cd4 Cl4 N16 O26 -","- C208 H272 Cd16 Cl16 N64 O104 -","4","1","","Reger, Daniel L.; Pascui, Andrea E.; Pellechia, Perry J.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew","Hydroxide-Bridged Cubane Complexes of Nickel(II) and Cadmium(II): Magnetic, EPR, and Unusual Dynamic Properties.","Inorganic chemistry","2014","53","9","4325","4339","10.1021/ic403013d","","","0.71073","MoKα","","0.0422","0.0374","","","0.0927","0.0954","","","","","","1.106","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338187","14.95746","0.00039","3.14125","0.00011","10.4818","0.00049","90","","101.567","0.0023","90","","482.49","0.03","295","","295","","","","","","","","","4","C 1 2/m 1","-C 2y","12","Ni 1.95-1.05-4; 1.95 Ni(OH)2 1.05NiCl2 4H2O","","","- Cl2.1 H11.9 Ni3 O7.9 -","- Cl2.08 Ni3 O7.92 -","- Cl4.16 Ni6 O15.84 -","2","0.25","","Bette, Sebastian; Dinnebier, Robert E.; Freyer, Daniela","Ni3Cl2.1(OH)3.9·4H2O, the Ni Analogue to Mg3Cl2(OH)4·4H2O.","Inorganic chemistry","2014","53","9","4316","4324","10.1021/ic500251x","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0073","","","","","","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338188","18.537","0.003","28.794","0.004","31.529","0.005","90","","90","","90","","16829","4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C144 H204 B8 Cu4 F32 N32 O26 -","- C144 H184 B8 Cu4 F32 N32 O26 -","- C576 H736 B32 Cu16 F128 N128 O104 -","4","1","","Madalan, Augustin M.; Cao, Xiao-Yu; Rogez, Guillaume; Lehn, Jean-Marie","Ferromagnetic Coupling in Copper(II) [2 ×2] Grid-like Complexes.","Inorganic chemistry","2014","53","9","4275","4277","10.1021/ic500285m","","","0.71073","MoKα","","0.1535","0.0817","","","0.2003","0.2339","","","","","","1.018","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338189","28.76","0.002","16.635","0.002","31.94","0.003","90","","105.286","0.008","90","","14740","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128 H136 Cl8 Cu4 N32 O48 -","- C128 H136 Cl8 Cu4 N32 O48 -","- C512 H544 Cl32 Cu16 N128 O192 -","4","0.5","","Madalan, Augustin M.; Cao, Xiao-Yu; Rogez, Guillaume; Lehn, Jean-Marie","Ferromagnetic Coupling in Copper(II) [2 ×2] Grid-like Complexes.","Inorganic chemistry","2014","53","9","4275","4277","10.1021/ic500285m","","","0.7107","MoKα","","0.1576","0.0796","","","0.1882","0.2245","","","","","","1.025","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338190","16.5986","0.0006","8.9107","0.0003","16.758","0.0006","90","","103.202","0.002","90","","2413.09","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H31 Cl Cu N4 O7 -","- C22 H31 Cl Cu N4 O7 -","- C88 H124 Cl4 Cu4 N16 O28 -","4","1","","Esteves, Catarina V.; Madureira, Joana; Lima, Luís M P; Mateus, Pedro; Bento, Isabel; Delgado, Rita","Copper(II) and Gallium(III) Complexes of trans-Bis(2-hydroxybenzyl) Cyclen Derivatives: Absence of a Cross-Bridge Proves Surprisingly More Favorable.","Inorganic chemistry","2014","53","9","4371","4386","10.1021/ic403156h","","","0.71073","MoKα","","0.0912","0.0721","","","0.1901","0.1993","","","","","","1.026","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338191","10.0897","0.0003","13.0832","0.0004","17.9815","0.0007","90","","92.554","0.001","90","","2371.3","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Ga N5 O7 -","- C22 H34 Ga N5 O7 -","- C88 H136 Ga4 N20 O28 -","4","1","","Esteves, Catarina V.; Madureira, Joana; Lima, Luís M P; Mateus, Pedro; Bento, Isabel; Delgado, Rita","Copper(II) and Gallium(III) Complexes of trans-Bis(2-hydroxybenzyl) Cyclen Derivatives: Absence of a Cross-Bridge Proves Surprisingly More Favorable.","Inorganic chemistry","2014","53","9","4371","4386","10.1021/ic403156h","","","0.71073","MoKα","","0.0601","0.042","","","0.1126","0.1197","","","","","","1.07","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338192","10.5471","0.0013","14.1489","0.0018","14.4577","0.0019","90","","102.244","0.004","90","","2108.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 N4 O2 -","- C22 H32 N4 O2 -","- C88 H128 N16 O8 -","4","1","","Esteves, Catarina V.; Madureira, Joana; Lima, Luís M P; Mateus, Pedro; Bento, Isabel; Delgado, Rita","Copper(II) and Gallium(III) Complexes of trans-Bis(2-hydroxybenzyl) Cyclen Derivatives: Absence of a Cross-Bridge Proves Surprisingly More Favorable.","Inorganic chemistry","2014","53","9","4371","4386","10.1021/ic403156h","","","1.54188","CuKα","","0.0601","0.059","","","0.1503","0.1511","","","","","","1.07","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338193","13.3838","0.0002","5.7027","0.0001","8.6759","0.0002","90","","90","","90","","662.18","0.02","298","0.2","298","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K O6 Se2 Y -","- K O6 Se2 Y -","- K4 O24 Se8 Y4 -","4","0.5","","Bang, Seong-Eun; Lee, Dong Woo; Ok, Kang Min","Variable Framework Structures and Centricities in Alkali Metal Yttrium Selenites, AY(SeO3)2 (A = Na, K, Rb, and Cs).","Inorganic chemistry","2014","53","9","4756","4762","10.1021/ic500548v","","","0.71073","MoKα","","0.0544","0.0294","","","0.0461","0.0496","","","","","","0.892","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338194","13.7594","0.0005","5.7457","0.0002","8.7692","0.0003","90","","90","","90","","693.27","0.04","298","0.2","298","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- O6 Rb Se2 Y -","- O6 Rb Se2 Y -","- O24 Rb4 Se8 Y4 -","4","0.5","","Bang, Seong-Eun; Lee, Dong Woo; Ok, Kang Min","Variable Framework Structures and Centricities in Alkali Metal Yttrium Selenites, AY(SeO3)2 (A = Na, K, Rb, and Cs).","Inorganic chemistry","2014","53","9","4756","4762","10.1021/ic500548v","","","0.71073","MoKα","","0.0399","0.0245","","","0.0498","0.0531","","","","","","0.931","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338195","8.8114","0.0002","8.8114","0.0002","8.8114","0.0002","90","","90","","90","","684.12","0.03","298","0.2","298","0.2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Cs O6 Se2 Y -","- Cs O6 Se2 Y -","- Cs4 O24 Se8 Y4 -","4","0.166667","","Bang, Seong-Eun; Lee, Dong Woo; Ok, Kang Min","Variable Framework Structures and Centricities in Alkali Metal Yttrium Selenites, AY(SeO3)2 (A = Na, K, Rb, and Cs).","Inorganic chemistry","2014","53","9","4756","4762","10.1021/ic500548v","","","0.71073","MoKα","","0.0169","0.0148","","","0.0383","0.0388","","","","","","1.222","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338196","37.35","0.002","4.5504","0.0003","7.5934","0.0004","90","","90","","90","","1290.55","0.13","296","2","296","2","","","","","","","","4","P m m n","-P 2ab 2a","59","","","","- Ca5.77 Ge8 In8 Sr3.23 -","- Ca5.774 Ge8 In8 Sr3.226 -","- Ca11.548 Ge16 In16 Sr6.452 -","2","","","Woo, Hyein; Nam, Gnu; Jang, Eunyoung; Kim, Jin; Lee, Yunho; Ahn, Kyunghan; You, Tae-Soo","Single-Crystal Growth and Size Control of Three Novel Polar Intermetallics: Eu2.94(2)Ca6.06In8Ge8, Eu3.13(2)Ca5.87In8Ge8, and Sr3.23(3)Ca5.77In8Ge8 with Crystal Structure, Chemical Bonding, and Magnetism Studies.","Inorganic chemistry","2014","53","9","4669","4677","10.1021/ic500340x","","","0.71073","MoKα","","0.0508","0.0392","","","0.0833","0.0911","","","","","","1.045","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338197","36.9279","0.0019","4.5112","0.0002","7.5063","0.0004","90","","90","","90","","1250.47","0.11","296","2","296","2","","","","","","","","4","P m m n","-P 2ab 2a","59","","","","- Ca6.06 Eu2.94 Ge8 In8 -","- Ca6.062 Eu2.938 Ge8 In8 -","- Ca12.124 Eu5.876 Ge16 In16 -","2","","","Woo, Hyein; Nam, Gnu; Jang, Eunyoung; Kim, Jin; Lee, Yunho; Ahn, Kyunghan; You, Tae-Soo","Single-Crystal Growth and Size Control of Three Novel Polar Intermetallics: Eu2.94(2)Ca6.06In8Ge8, Eu3.13(2)Ca5.87In8Ge8, and Sr3.23(3)Ca5.77In8Ge8 with Crystal Structure, Chemical Bonding, and Magnetism Studies.","Inorganic chemistry","2014","53","9","4669","4677","10.1021/ic500340x","","","0.71073","MoKα","","0.0423","0.0311","","","0.0545","0.0593","","","","","","1.096","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338198","37.171","0.019","4.531","0.002","7.56","0.004","90","","90","","90","","1273.3","1.1","296","2","296","2","","","","","","","","4","P m m n","-P 2ab 2a","59","","","","- Ca5.87 Eu3.13 Ge8 In8 -","- Ca5.867 Eu3.133 Ge8 In8 -","- Ca11.734 Eu6.266 Ge16 In16 -","2","","","Woo, Hyein; Nam, Gnu; Jang, Eunyoung; Kim, Jin; Lee, Yunho; Ahn, Kyunghan; You, Tae-Soo","Single-Crystal Growth and Size Control of Three Novel Polar Intermetallics: Eu2.94(2)Ca6.06In8Ge8, Eu3.13(2)Ca5.87In8Ge8, and Sr3.23(3)Ca5.77In8Ge8 with Crystal Structure, Chemical Bonding, and Magnetism Studies.","Inorganic chemistry","2014","53","9","4669","4677","10.1021/ic500340x","","","0.71073","MoKα","","0.0485","0.0318","","","0.0598","0.066","","","","","","1.035","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338199","13.4323","0.0005","13.4323","0.0005","11.6144","0.0004","90","","90","","120","","1814.8","0.11","100","2","100","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C42 H54 Fe N7 -","- C36 H48 Fe N7 -","- C72 H96 Fe2 N14 -","2","0.333333","","Matson, Ellen M.; Bertke, Jeffrey A.; Fout, Alison R.","Isolation of Iron(II) Aqua and Hydroxyl Complexes Featuring a Tripodal H-bond Donor and Acceptor Ligand.","Inorganic chemistry","2014","53","9","4450","4458","10.1021/ic500102c","","","0.71073","MoKα","","0.0285","0.0271","","","0.0757","0.0767","","","","","","0.931","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338200","8.9533","0.0004","16.5012","0.0008","23.485","0.0011","90","","90","","90","","3469.7","0.3","186","2","186","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H49 Fe K N7 O -","- C36 H49 Fe K N7 O -","- C144 H196 Fe4 K4 N28 O4 -","4","1","","Matson, Ellen M.; Bertke, Jeffrey A.; Fout, Alison R.","Isolation of Iron(II) Aqua and Hydroxyl Complexes Featuring a Tripodal H-bond Donor and Acceptor Ligand.","Inorganic chemistry","2014","53","9","4450","4458","10.1021/ic500102c","","","0.71073","MoKα","","0.0459","0.0374","","","0.0883","0.0937","","","","","","1.044","","","","has coordinates,has disorder","179485","2020-10-21","18:00:00",""
"4338201","10.6938","0.0011","16.2327","0.0016","27.59","0.003","90","","90","","90","","4789.3","0.9","176","2","176","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H59 F6 Fe N7 O7 S2 -","- C42 H59 F6 Fe N7 O7 S2 -","- C168 H236 F24 Fe4 N28 O28 S8 -","4","1","","Matson, Ellen M.; Bertke, Jeffrey A.; Fout, Alison R.","Isolation of Iron(II) Aqua and Hydroxyl Complexes Featuring a Tripodal H-bond Donor and Acceptor Ligand.","Inorganic chemistry","2014","53","9","4450","4458","10.1021/ic500102c","","","0.71073","MoKα","","0.0391","0.0315","","","0.0714","0.075","","","","","","1.025","","","","has coordinates,has disorder","179485","2020-10-21","18:00:00",""
"4338202","9.764","0.003","9.222","0.003","42.281","0.012","90","","90.254","0.007","90","","3807","2","172","2","172","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H59 Fe N7 O2 -","- C40 H59 Fe N7 O2 -","- C160 H236 Fe4 N28 O8 -","4","1","","Matson, Ellen M.; Bertke, Jeffrey A.; Fout, Alison R.","Isolation of Iron(II) Aqua and Hydroxyl Complexes Featuring a Tripodal H-bond Donor and Acceptor Ligand.","Inorganic chemistry","2014","53","9","4450","4458","10.1021/ic500102c","","","0.71073","MoKα","","0.0508","0.0366","","","0.0797","0.0859","","","","","","1.032","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338203","11.1484","0.0009","14.8319","0.0012","14.8211","0.0011","90","","98.561","0.008","90","","2423.4","0.3","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H33 Cl2 N5 O10 -","- C19 H33 Cl2 N5 O10 -","- C76 H132 Cl8 N20 O40 -","4","1","","Lima, Luís M P; Halime, Zakaria; Marion, Ronan; Camus, Nathalie; Delgado, Rita; Platas-Iglesias, Carlos; Tripier, Raphaël","Monopicolinate Cross-Bridged Cyclam Combining Very Fast Complexation with Very High Stability and Inertness of Its Copper(II) Complex.","Inorganic chemistry","2014","53","10","5269","5279","10.1021/ic500491c","","","0.71073","MoKα","","0.0911","0.0566","","","0.1143","0.1261","","","","","","0.901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338204","10.1579","0.0008","16.4764","0.0012","15.078","0.0011","90","","103.175","0.003","90","","2457.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Fe N4 P2 -","- C23 H36 Fe N4 P2 -","- C92 H144 Fe4 N16 P8 -","4","1","","Williams, Valerie A.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Lobkovsky, Emil B.; Cundari, Thomas R.","Iron Complexes Derived from {nacnac-(CH2py)2}(-) and {nacnac-(CH2py)(CHpy)}(n) Ligands: Stabilization of Iron(II) via Redox Noninnocence.","Inorganic chemistry","2014","53","9","4459","4474","10.1021/ic5001123","","","0.71073","MoKα","","0.0324","0.0266","","","0.0685","0.0719","","","","","","1.023","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338206","17.6532","0.0014","35.819","0.003","8.894","0.0007","90","","90","","90","","5623.9","0.8","183","2","183","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H36 F6 Fe N4 P3 -","- C23 H36 F6 Fe N4 P3 -","- C184 H288 F48 Fe8 N32 P24 -","8","2","","Williams, Valerie A.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Lobkovsky, Emil B.; Cundari, Thomas R.","Iron Complexes Derived from {nacnac-(CH2py)2}(-) and {nacnac-(CH2py)(CHpy)}(n) Ligands: Stabilization of Iron(II) via Redox Noninnocence.","Inorganic chemistry","2014","53","9","4459","4474","10.1021/ic5001123","","","0.71073","MoKα","","0.0613","0.0437","","","0.0956","0.1039","","","","","","1.012","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338207","17.4724","0.0006","10.0996","0.0003","14.569","0.0005","90","","101.879","0.001","90","","2515.85","0.14","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H31 Fe N4 P -","- C30 H31 Fe N4 P -","- C120 H124 Fe4 N16 P4 -","4","1","","Williams, Valerie A.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Lobkovsky, Emil B.; Cundari, Thomas R.","Iron Complexes Derived from {nacnac-(CH2py)2}(-) and {nacnac-(CH2py)(CHpy)}(n) Ligands: Stabilization of Iron(II) via Redox Noninnocence.","Inorganic chemistry","2014","53","9","4459","4474","10.1021/ic5001123","","","0.71073","MoKα","","0.0256","0.0233","","","0.058","0.0591","","","","","","1.006","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338208","11.235","0.003","13.045","0.003","14.126","0.004","74.317","0.011","85.685","0.012","65.247","0.009","1808.4","0.8","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H80 F12 N16 O22 Pt4 Rh2 S4 -","- C34 H80 F12 N16 O22 Pt4 Rh2 S4 -","- C34 H80 F12 N16 O22 Pt4 Rh2 S4 -","1","0.5","","Uemura, Kazuhiro; Kanbara, Toru; Ebihara, Masahiro","Two types of heterometallic one-dimensional alignment composed of acetamidate-bridged dirhodium and pivalamidate-bridged diplatinum complexes.","Inorganic chemistry","2014","53","9","4621","4628","10.1021/ic500305n","","","0.7107","MoKα","","0.0982","0.0685","","","0.1523","0.1797","","","","","","1.067","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338209","11.114","0.003","19.543","0.005","20.77","0.005","90","","90","","90","","4511","2","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H48 F6 N10 O12 Pt2 Rh2 -","- C26 H48 F6 N10 O12 Pt2 Rh2 -","- C104 H192 F24 N40 O48 Pt8 Rh8 -","4","1","","Uemura, Kazuhiro; Kanbara, Toru; Ebihara, Masahiro","Two types of heterometallic one-dimensional alignment composed of acetamidate-bridged dirhodium and pivalamidate-bridged diplatinum complexes.","Inorganic chemistry","2014","53","9","4621","4628","10.1021/ic500305n","","","0.7107","MoKα","","0.0924","0.0725","","","0.1529","0.1668","","","","","","1.071","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338210","14.3766","0.001","15.174","0.0008","15.8393","0.0011","62.625","0.006","63.908","0.007","65.876","0.006","2661.7","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H63 Cd2 Cl3 N14 O15 -","- C40 H55 Cd2 Cl3 N14 O15 -","- C80 H110 Cd4 Cl6 N28 O30 -","2","1","","Amatori, Stefano; Ambrosi, Gianluca; Borgogelli, Elisa; Fanelli, Mirco; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia; Tassoni, Aurora","Modulating the Sensor Response to Halide Using NBD-Based Azamacrocycles.","Inorganic chemistry","2014","53","9","4560","4569","10.1021/ic5001649","","","1.54184","CuKα","","0.0821","0.0493","","","0.1197","0.1442","","","","","","1.054","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338211","12.065","0.005","12.88","0.005","16.967","0.005","69.631","0.005","89.371","0.005","76.267","0.005","2393.7","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H102 Cl4 Gd6 N12 O38 -","- C66 H102 Cl4 Gd6 N12 O38 -","- C66 H102 Cl4 Gd6 N12 O38 -","1","0.5","","Das, Sourav; Hossain, Sakiat; Dey, Atanu; Biswas, Sourav; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Molecular Magnets Based on Homometallic Hexanuclear Lanthanide(III) Complexes.","Inorganic chemistry","2014","53","10","5020","5028","10.1021/ic500052v","","","0.71069","MoKα","","0.071","0.0542","","","0.1472","0.1685","","","","","","1.09","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338212","12.042","0.005","12.905","0.005","16.891","0.005","68.012","0.005","88.667","0.005","76.685","0.005","2362.8","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H98 Cl4 Dy6 N12 O40 -","- C66 H98 Cl4 Dy6 N12 O40 -","- C66 H98 Cl4 Dy6 N12 O40 -","1","0.5","","Das, Sourav; Hossain, Sakiat; Dey, Atanu; Biswas, Sourav; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Molecular Magnets Based on Homometallic Hexanuclear Lanthanide(III) Complexes.","Inorganic chemistry","2014","53","10","5020","5028","10.1021/ic500052v","","","0.71069","MoKα","","0.1127","0.0725","","","0.1691","0.2114","","","","","","1.047","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338213","12.063","0.005","12.876","0.005","16.83","0.005","67.649","0.005","87.699","0.005","76.692","0.005","2349.5","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H96 Cl4 N12 O42 Tb6 -","- C66 H96 Cl4 N12 O42 Tb6 -","- C66 H96 Cl4 N12 O42 Tb6 -","1","0.5","","Das, Sourav; Hossain, Sakiat; Dey, Atanu; Biswas, Sourav; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Molecular Magnets Based on Homometallic Hexanuclear Lanthanide(III) Complexes.","Inorganic chemistry","2014","53","10","5020","5028","10.1021/ic500052v","","","0.71069","MoKα","","0.0655","0.0538","","","0.1471","0.1653","","","","","","1.034","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338214","12.059","0.005","12.92","0.005","16.84","0.005","68.218","0.005","88.492","0.005","76.446","0.005","2363.2","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H100 Cl4 Ho6 N12 O40 -","- C64 H100 Cl4 Ho6 N12 O40 -","- C64 H100 Cl4 Ho6 N12 O40 -","1","0.5","","Das, Sourav; Hossain, Sakiat; Dey, Atanu; Biswas, Sourav; Sutter, Jean-Pascal; Chandrasekhar, Vadapalli","Molecular Magnets Based on Homometallic Hexanuclear Lanthanide(III) Complexes.","Inorganic chemistry","2014","53","10","5020","5028","10.1021/ic500052v","","","0.71069","MoKα","","0.0643","0.0471","","","0.1248","0.1411","","","","","","1.101","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338215","6.9","","6.9","","6.3096","","90","","90","","120","","260.154","","293","","293","","","","","","","","","3","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Gd0.25 O4.25 P1.25 -","- Gd0.25 O P0.25 -","- Gd3 O12 P3 -","12","1","","Mayence, Arnaud; Navarro, Julien R. G.; Ma, Yanhang; Terasaki, Osamu; Bergström, Lennart; Oleynikov, Peter","Phase identification and structure solution by three-dimensional electron diffraction tomography: gd-phosphate nanorods.","Inorganic chemistry","2014","53","10","5067","5072","10.1021/ic500056r","","electron","0.02508","electron","","0.154","0.154","","","0.2523","0.2523","","","","20.7","20.7","20.7","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338216","7.975","0.003","10.783","0.003","11.595","0.003","100.84","0.02","106.62","0.02","92.48","0.02","933.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H56 Mn2 N4 Si8 -","- C16 H56 Mn2 N4 Si8 -","- C16 H56 Mn2 N4 Si8 -","1","0.5","","König, Sonja N; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Silylamide Complexes of Chromium(II), Manganese(II), and Cobalt(II) Bearing the Ligands N(SiHMe2)2 and N(SiPhMe2)2.","Inorganic chemistry","2014","53","9","4585","4597","10.1021/ic5002682","","","0.71073","MoKα","","0.1126","0.0777","","","0.196","0.2198","","","","","","1.085","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338217","17.434","0.002","8.5969","0.0011","38.458","0.005","90","","92.534","0.006","90","","5758.4","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H52 Cr N4 Si4 -","- C18 H52 Cr N4 Si4 -","- C144 H416 Cr8 N32 Si32 -","8","1","","König, Sonja N; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Silylamide Complexes of Chromium(II), Manganese(II), and Cobalt(II) Bearing the Ligands N(SiHMe2)2 and N(SiPhMe2)2.","Inorganic chemistry","2014","53","9","4585","4597","10.1021/ic5002682","","","0.71073","MoKα","","0.0457","0.0448","","","0.103","0.1033","","","","","","1.334","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338218","9.1717","0.0002","14.4022","0.0003","21.329","0.0004","71.411","0.001","86.059","0.001","84.98","0.001","2657.69","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H88 Co2 N6 Si8 -","- C30 H88 Co2 N6 Si8 -","- C60 H176 Co4 N12 Si16 -","2","1","","König, Sonja N; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Silylamide Complexes of Chromium(II), Manganese(II), and Cobalt(II) Bearing the Ligands N(SiHMe2)2 and N(SiPhMe2)2.","Inorganic chemistry","2014","53","9","4585","4597","10.1021/ic5002682","","","0.71073","MoKα","","0.048","0.0341","","","0.0837","0.0913","","","","","","1.027","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338219","9.9205","0.0008","13.7329","0.0008","18.8189","0.0019","90","","94.381","0.007","90","","2556.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H44 Cr N4 Si4 -","- C14 H44 Cr N4 Si4 -","- C56 H176 Cr4 N16 Si16 -","4","1","","König, Sonja N; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Silylamide Complexes of Chromium(II), Manganese(II), and Cobalt(II) Bearing the Ligands N(SiHMe2)2 and N(SiPhMe2)2.","Inorganic chemistry","2014","53","9","4585","4597","10.1021/ic5002682","","","0.71073","MoKα","","0.0453","0.0389","","","0.0936","0.0967","","","","","","1.153","","","","has coordinates,has disorder","179485","2020-10-21","18:00:00",""
"4338220","9.3416","0.0003","14.7835","0.0004","10.2637","0.0003","90","","104.198","0.001","90","","1374.14","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H48 Co N4 Si4 -","- C16 H48 Co N4 Si4 -","- C32 H96 Co2 N8 Si8 -","2","1","","König, Sonja N; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Silylamide Complexes of Chromium(II), Manganese(II), and Cobalt(II) Bearing the Ligands N(SiHMe2)2 and N(SiPhMe2)2.","Inorganic chemistry","2014","53","9","4585","4597","10.1021/ic5002682","","","0.71073","MoKα","","0.0178","0.0171","","","0.0468","0.047","","","","","","1.033","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338221","10.0324","0.0002","17.8533","0.0004","14.3726","0.0004","90","","95.706","0.001","90","","2561.54","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","work","Bis(bis(dimethylsilyl)amido)(teramethylethylene)cobalt(II)","","- C14 H44 Co N4 Si4 -","- C14 H44 Co N4 Si4 -","- C56 H176 Co4 N16 Si16 -","4","1","","König, Sonja N; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Silylamide Complexes of Chromium(II), Manganese(II), and Cobalt(II) Bearing the Ligands N(SiHMe2)2 and N(SiPhMe2)2.","Inorganic chemistry","2014","53","9","4585","4597","10.1021/ic5002682","","","0.71073","MoKα","","0.0359","0.0277","","","0.0671","0.0707","","","","","","1.02","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338222","11.0741","0.0004","15.4342","0.0005","14.9391","0.0005","90","","96.043","0.002","90","","2539.2","0.15","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H44 Mn N4 Si4 -","- C14 H44 Mn N4 Si4 -","- C56 H176 Mn4 N16 Si16 -","4","1","","König, Sonja N; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Silylamide Complexes of Chromium(II), Manganese(II), and Cobalt(II) Bearing the Ligands N(SiHMe2)2 and N(SiPhMe2)2.","Inorganic chemistry","2014","53","9","4585","4597","10.1021/ic5002682","","","0.71073","MoKα","","0.0222","0.0195","","","0.0526","0.0541","","","","","","1.061","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338223","22.8192","0.0017","13.3064","0.001","23.4976","0.0017","90","","100.335","0.004","90","","7019.1","0.9","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Mn N2 Si4 -","- C32 H44 Mn N2 Si4 -","- C256 H352 Mn8 N16 Si32 -","8","2","","König, Sonja N; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Silylamide Complexes of Chromium(II), Manganese(II), and Cobalt(II) Bearing the Ligands N(SiHMe2)2 and N(SiPhMe2)2.","Inorganic chemistry","2014","53","9","4585","4597","10.1021/ic5002682","","","0.71073","MoKα","","0.0836","0.0415","","","0.0872","0.1038","","","","","","1.015","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338224","11.555","0.0004","13.4514","0.0005","22.0416","0.0007","90","","99.178","0.001","90","","3382.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cr N2 Si4 -","- C32 H44 Cr N2 Si4 -","- C128 H176 Cr4 N8 Si16 -","4","1","","König, Sonja N; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Silylamide Complexes of Chromium(II), Manganese(II), and Cobalt(II) Bearing the Ligands N(SiHMe2)2 and N(SiPhMe2)2.","Inorganic chemistry","2014","53","9","4585","4597","10.1021/ic5002682","","","0.71073","MoKα","","0.0318","0.0264","","","0.0689","0.072","","","","","","1.063","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338225","18.6495","0.0004","11.845","0.0002","18.0184","0.0004","90","","109.597","0.001","90","","3749.76","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 Co N2 O Si4 -","- C36 H52 Co N2 O Si4 -","- C144 H208 Co4 N8 O4 Si16 -","4","1","","König, Sonja N; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Silylamide Complexes of Chromium(II), Manganese(II), and Cobalt(II) Bearing the Ligands N(SiHMe2)2 and N(SiPhMe2)2.","Inorganic chemistry","2014","53","9","4585","4597","10.1021/ic5002682","","","0.71073","MoKα","","0.0284","0.0248","","","0.0647","0.0669","","","","","","1.028","","","","has coordinates,has disorder","179485","2020-10-21","18:00:00",""
"4338226","11.4798","0.0006","17.8748","0.0008","10.6447","0.0005","90","","111.877","0.002","90","","2026.98","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 Cr N2 O2 Si4 -","- C40 H60 Cr N2 O2 Si4 -","- C80 H120 Cr2 N4 O4 Si8 -","2","0.5","","König, Sonja N; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Silylamide Complexes of Chromium(II), Manganese(II), and Cobalt(II) Bearing the Ligands N(SiHMe2)2 and N(SiPhMe2)2.","Inorganic chemistry","2014","53","9","4585","4597","10.1021/ic5002682","","","0.71073","MoKα","","0.0302","0.0273","","","0.081","0.0832","","","","","","1.088","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338227","8.7445","0.00019","10.9643","0.0002","13.2242","0.0003","70.982","0.001","83.755","0.001","89.443","0.001","1191.13","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H10 Fe2 N2 O8 S2 -","- C24 H10 Fe2 N2 O8 S2 -","- C48 H20 Fe4 N4 O16 S4 -","2","1","","Li, Ping; Amirjalayer, Saeed; Hartl, František; Lutz, Martin; Bruin, Bas de; Becker, René; Woutersen, Sander; Reek, Joost N. H.","Direct Probing of Photoinduced Electron Transfer in a Self-Assembled Biomimetic [2Fe2S]-Hydrogenase Complex Using Ultrafast Vibrational Spectroscopy.","Inorganic chemistry","2014","53","10","5373","5383","10.1021/ic500777d","","","0.71073","MoKα","","0.0223","0.0204","","","0.0564","0.0572","","","","","","1.057","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338228","16.6507","0.0007","11.0083","0.0004","26.1126","0.0011","90","","102.693","0.0014","90","","4669.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H32 Fe2 N2 O6 P2 S2 -","- C48 H32 Fe2 N2 O6 P2 S2 -","- C192 H128 Fe8 N8 O24 P8 S8 -","4","1","","Li, Ping; Amirjalayer, Saeed; Hartl, František; Lutz, Martin; Bruin, Bas de; Becker, René; Woutersen, Sander; Reek, Joost N. H.","Direct Probing of Photoinduced Electron Transfer in a Self-Assembled Biomimetic [2Fe2S]-Hydrogenase Complex Using Ultrafast Vibrational Spectroscopy.","Inorganic chemistry","2014","53","10","5373","5383","10.1021/ic500777d","","","0.71073","MoKα","","0.0499","0.0379","","","0.0959","0.1036","","","","","","1.058","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338229","8.0564","0.0004","24.3641","0.001","7.2948","0.0003","90","","92.166","0.002","90","","1430.85","0.11","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H10 N2 O2 S2 -","- C18 H10 N2 O2 S2 -","- C72 H40 N8 O8 S8 -","4","1","","Li, Ping; Amirjalayer, Saeed; Hartl, František; Lutz, Martin; Bruin, Bas de; Becker, René; Woutersen, Sander; Reek, Joost N. H.","Direct Probing of Photoinduced Electron Transfer in a Self-Assembled Biomimetic [2Fe2S]-Hydrogenase Complex Using Ultrafast Vibrational Spectroscopy.","Inorganic chemistry","2014","53","10","5373","5383","10.1021/ic500777d","","","0.71073","MoKα","","0.0262","0.024","","","0.0582","0.0589","","","","","","1.048","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338230","15.118","0.0012","16.8098","0.0013","22.7156","0.0018","96.566","0.001","105.131","0.001","91.689","0.001","5525.4","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C113 H110 Fe4 N8 O1.5 P2 S13 -","- C113 H110 Fe4 N8 O1.5 P2 S13 -","- C226 H220 Fe8 N16 O3 P4 S26 -","2","1","","Victor, Eric; Lippard, Stephen J.","A Tetranitrosyl [4Fe-4S] Cluster Forms En Route to Roussin's Black Anion: Nitric Oxide Reactivity of [Fe4S4(LS3)L'](2-).","Inorganic chemistry","2014","53","10","5311","5320","10.1021/ic500586g","","","0.71073","MoKα","","0.1353","0.0698","","","0.1338","0.1569","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338231","14.2454","0.001","16.7845","0.0011","26.5044","0.0018","87.421","0.001","76.728","0.001","69.444","0.001","5770.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C114 H120 Fe4 N O2.5 P2 S15 -","- C114 H120 Fe4 N O2.5 P2 S15 -","- C228 H240 Fe8 N2 O5 P4 S30 -","2","1","","Victor, Eric; Lippard, Stephen J.","A Tetranitrosyl [4Fe-4S] Cluster Forms En Route to Roussin's Black Anion: Nitric Oxide Reactivity of [Fe4S4(LS3)L'](2-).","Inorganic chemistry","2014","53","10","5311","5320","10.1021/ic500586g","","","0.71073","MoKα","","0.0808","0.0537","","","0.1485","0.1643","","","","","","1.264","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338232","13.3377","0.0007","15.5706","0.0009","25.8505","0.0014","83.257","0.001","86.137","0.001","78.986","0.001","5227.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C103 H93 Cl9 Fe4 P2 S13 -","- C103 H93 Cl9 Fe4 P2 S13 -","- C206 H186 Cl18 Fe8 P4 S26 -","2","1","","Victor, Eric; Lippard, Stephen J.","A Tetranitrosyl [4Fe-4S] Cluster Forms En Route to Roussin's Black Anion: Nitric Oxide Reactivity of [Fe4S4(LS3)L'](2-).","Inorganic chemistry","2014","53","10","5311","5320","10.1021/ic500586g","","","0.71073","MoKα","","0.1001","0.0586","","","0.1088","0.1194","","","","","","1.226","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338233","11.85","0.0009","14.8878","0.0011","17.1595","0.0013","90.142","0.001","105.806","0.001","92.272","0.001","2910.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 Fe10 N8 O8 S8 -","- C40 H60 Fe10 N8 O8 S8 -","- C80 H120 Fe20 N16 O16 S16 -","2","1","","Victor, Eric; Lippard, Stephen J.","A Tetranitrosyl [4Fe-4S] Cluster Forms En Route to Roussin's Black Anion: Nitric Oxide Reactivity of [Fe4S4(LS3)L'](2-).","Inorganic chemistry","2014","53","10","5311","5320","10.1021/ic500586g","","","0.71073","MoKα","","0.0829","0.0419","","","0.0631","0.0722","","","","","","1.008","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338234","13.8744","0.0015","12.0428","0.0013","17.2348","0.0019","90","","103.484","0.002","90","","2800.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Trityl disulfide","","","- C38 H30 S2 -","- C38 H30 S2 -","- C152 H120 S8 -","4","1","","Victor, Eric; Lippard, Stephen J.","A Tetranitrosyl [4Fe-4S] Cluster Forms En Route to Roussin's Black Anion: Nitric Oxide Reactivity of [Fe4S4(LS3)L'](2-).","Inorganic chemistry","2014","53","10","5311","5320","10.1021/ic500586g","","","0.71073","MoKα","","0.0708","0.0427","","","0.0862","0.0959","","","","","","1.204","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338235","13.7909","0.0006","15.8672","0.0008","16.9957","0.0007","90","","104.242","0.004","90","","3604.7","0.3","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Cl2 Mn2 N8 O14 -","- C26 H42 Cl2 Mn2 N8 O14 -","- C104 H168 Cl8 Mn8 N32 O56 -","4","1","","Molnár, Enikő; Camus, Nathalie; Patinec, Véronique; Rolla, Gabriele A.; Botta, Mauro; Tircsó, Gyula; Kálmán, Ferenc K; Fodor, Tamás; Tripier, Raphaël; Platas-Iglesias, Carlos","Picolinate-containing macrocyclic mn(2+) complexes as potential MRI contrast agents.","Inorganic chemistry","2014","53","10","5136","5149","10.1021/ic500231z","","x-ray","0.71073","MoKα","","0.1016","0.0461","","","0.0963","0.1105","","","","","","0.868","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4338236","58.56","0.03","14.871","0.007","25.739","0.013","90","","114.237","0.006","90","","20439","18","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H91 Al3 N7 Na O62 P2 W15 -","- C28 H91 Al3 N7 Na O62 P2 W15 -","- C224 H728 Al24 N56 Na8 O496 P16 W120 -","8","1","","Kato, Chika Nozaki; Kashiwagi, Toshifumi; Unno, Wataru; Nakagawa, Miyuki; Uno, Hidemitsu","Syntheses and Molecular Structures of Monomeric and Hydrogen-Bonded Dimeric Dawson-Type Trialuminum-Substituted Polyoxotungstates Derived under Acidic and Basic Conditions.","Inorganic chemistry","2014","53","10","4824","4832","10.1021/ic402650g","","","0.71075","MoKα","","0.1055","0.0921","","","0.184","0.1913","","","","","","1.243","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338237","12.7724","0.0008","17.2403","0.0013","15.1612","0.0012","90","","93.5841","","90","","3332","0.4","293","","293","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Al3 Cs6 H15 O65 P2 W15 -","- Al3 Cs6 O62 P2 W15 -","- Al6 Cs12 O124 P4 W30 -","2","0.5","","Kato, Chika Nozaki; Kashiwagi, Toshifumi; Unno, Wataru; Nakagawa, Miyuki; Uno, Hidemitsu","Syntheses and Molecular Structures of Monomeric and Hydrogen-Bonded Dimeric Dawson-Type Trialuminum-Substituted Polyoxotungstates Derived under Acidic and Basic Conditions.","Inorganic chemistry","2014","53","10","4824","4832","10.1021/ic402650g","","","0.7107","MoKα","","","0.1582","","","","0.4692","","","","","","1.927","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338238","7.6594","0.0004","11.4178","0.0006","16.0941","0.0008","90","","96.3001","0.0005","90","","1398.99","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl3 P2 Sb -","- C6 H18 Cl3 P2 Sb -","- C24 H72 Cl12 P8 Sb4 -","4","1","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","0.71073","MoKα","","0.0136","0.0123","","","0.0292","0.0295","","","","","","1.048","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338239","9.7577","0.0007","10.3383","0.0007","11.2342","0.0008","115.106","0.0007","104.653","0.0007","94.0515","0.0008","972.13","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H66 Cl3 P2 Sb -","- C36 H66 Cl3 P2 Sb -","- C36 H66 Cl3 P2 Sb -","1","0.5","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","0.71073","MoKα","","0.0281","0.025","","","0.0655","0.0672","","","","","","1.079","","","","has coordinates,has disorder","179485","2020-10-21","18:00:00",""
"4338240","15.8017","0.0012","9.5425","0.0008","22.4802","0.0018","90","","101.499","0.0009","90","","3321.7","0.5","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H30 Cl3 P2 Sb -","- C36 H30 Cl3 P2 Sb -","- C144 H120 Cl12 P8 Sb4 -","4","0.5","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","0.71073","MoKα","","0.0234","0.0204","","","0.0492","0.0507","","","","","","1.068","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338241","10.5374","0.0008","10.563","0.0008","10.6579","0.0008","92.9183","0.0008","115.784","0.0007","113.988","0.0007","937.79","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cl3 P Sb -","- C18 H15 Cl3 P Sb -","- C36 H30 Cl6 P2 Sb2 -","2","1","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","0.71073","MoKα","","0.0199","0.019","","","0.045","0.0455","","","","","","1.102","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338242","10.798","0.002","11.059","0.002","12.214","0.003","90","","114.382","0.002","90","","1328.5","0.5","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Cl2 F3 O3 P S Sb -","- C4 H9 Cl2 F3 O3 P S Sb -","- C16 H36 Cl8 F12 O12 P4 S4 Sb4 -","4","1","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","0.71073","MoKα","","0.0343","0.0313","","","0.0783","0.081","","","","","","1.081","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338243","8.2974","0.0003","11.1805","0.0004","26.4962","0.0009","90","","93.3876","0.0004","90","","2453.73","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 F3 O3 P2 S Sb -","- C19 H28 F3 O3 P2 S Sb -","- C76 H112 F12 O12 P8 S4 Sb4 -","4","1","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","0.71073","MoKα","","0.0215","0.0201","","","0.0497","0.0506","","","","","","1.05","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338244","7.9261","0.0011","19.089","0.003","13.1115","0.0018","90","","100.85","0.0017","90","","1948.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H9 Cl3 P Sb -","- C3 H9 Cl3 P Sb -","- C24 H72 Cl24 P8 Sb8 -","8","2","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","0.71073","MoKα","","0.0353","0.0259","","","0.0476","0.0513","","","","","","1.036","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338245","10.9776","0.0015","10.9983","0.0015","32.06","0.004","90","","90","","90","","3870.8","0.9","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Cl8 Mg N6 P2 Sb2 -","- C18 H36 Cl8 Mg N6 P2 Sb2 -","- C72 H144 Cl32 Mg4 N24 P8 Sb8 -","4","1","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","0.71073","MoKα","","0.0423","0.0367","","","0.0768","0.0797","","","","","","1.063","","","","has coordinates,has disorder","179485","2020-10-21","18:00:00",""
"4338246","6.8302","0.0002","17.8515","0.0005","10.5339","0.0003","90","","93.8302","0.0003","90","","1281.52","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 Cl2 P Sb -","- C9 H14 Cl2 P Sb -","- C36 H56 Cl8 P4 Sb4 -","4","1","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","0.71073","MoKα","","0.0175","0.0163","","","0.0405","0.0411","","","","","","1.173","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338247","13.5151","0.0008","11.4915","0.0007","13.9937","0.0008","90","","105.709","0.0006","90","","2092.2","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Cl F6 O6 P2 S2 Sb -","- C8 H18 Cl F6 O6 P2 S2 Sb -","- C32 H72 Cl4 F24 O24 P8 S8 Sb4 -","4","1","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","0.71073","MoKα","","0.0195","0.0175","","","0.0423","0.0434","","","","","","1.037","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338248","10.376","0.003","15.895","0.004","20.641","0.005","85.32","0.004","80.8","0.004","73.177","0.004","3214.4","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H33 Cl3 P Sb -","- C18 H33 Cl3 P Sb -","- C108 H198 Cl18 P6 Sb6 -","6","3","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","0.71073","MoKα","","0.0727","0.0394","","","0.0633","0.0776","","","","","","0.872","","","","has coordinates,has disorder","179485","2020-10-21","18:00:00",""
"4338249","8.2553","0.0002","10.8326","0.0003","11.1367","0.0003","98.4361","0.0003","97.6027","0.0003","93.1231","0.0003","973.7","0.04","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H19 F3 O3 P S Sb -","- C16 H19 F3 O3 P S Sb -","- C32 H38 F6 O6 P2 S2 Sb2 -","2","1","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","0.71073","MoKα","","0.0162","0.0157","","","0.041","0.0413","","","","","","1.063","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338250","10.3232","0.0004","11.6723","0.0004","18.4318","0.0007","90","","90.4966","0.0004","90","","2220.87","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl2 P Sb -","- C24 H20 Cl2 P Sb -","- C96 H80 Cl8 P4 Sb4 -","4","1","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","0.71073","MoKα","","0.0242","0.023","","","0.055","0.0556","","","","","","1.149","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338251","12.9097","0.0002","14.2568","0.0002","19.9245","0.0003","90","","96.605","0.0007","90","","3642.78","0.09","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H35 Cl2 P2 Sb -","- C42 H35 Cl2 P2 Sb -","- C168 H140 Cl8 P8 Sb4 -","4","0.5","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","1.54178","CuKα","","0.0187","0.0185","","","0.0473","0.0474","","","","","","1.111","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338252","9.5641","0.0007","12.0248","0.0008","17.5876","0.0012","94.0493","0.0009","96.8668","0.001","110.362","0.0009","1869","0.2","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H30 Cl2 F3 O3 P2 S Sb -","- C37 H30 Cl2 F3 O3 P2 S Sb -","- C74 H60 Cl4 F6 O6 P4 S2 Sb2 -","2","1","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","0.71073","MoKα","","0.0354","0.0289","","","0.0685","0.0719","","","","","","1.062","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338253","7.616","0.002","13.133","0.005","16.922","0.006","90","","90","","90","","1692.6","1","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","","Kumar, Ashish; Dubey, Mrigendra; Pandey, Rampal; Gupta, Rakesh Kumar; Kumar, Amit; Kalita, Alok Ch; Pandey, Daya Shankar","A Schiff Base and Its Copper(II) Complex as a Highly Selective Chemodosimeter for Mercury(II) Involving Preferential Hydrolysis of Aldimine over an Ester Group.","Inorganic chemistry","2014","53","10","4944","4955","10.1021/ic403149b","","","0.71075","MoKα","","0.038","0.0353","","","0.0789","0.0805","","","","","","0.976","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338254","14.87","0.01","7.459","0.006","14.326","0.009","90","","90.468","0.011","90","","1588.9","1.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cu N2 O10 -","- C38 H36 Cu N2 O10 -","- C76 H72 Cu2 N4 O20 -","2","0.5","","Kumar, Ashish; Dubey, Mrigendra; Pandey, Rampal; Gupta, Rakesh Kumar; Kumar, Amit; Kalita, Alok Ch; Pandey, Daya Shankar","A Schiff Base and Its Copper(II) Complex as a Highly Selective Chemodosimeter for Mercury(II) Involving Preferential Hydrolysis of Aldimine over an Ester Group.","Inorganic chemistry","2014","53","10","4944","4955","10.1021/ic403149b","","","0.71075","MoKα","","0.1005","0.0881","","","0.2255","0.2355","","","","","","1.132","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338255","42.234","0.005","19.969","0.002","26.348","0.003","90","","125.109","0.002","90","","18178","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H134 K2 N8 O22.5 -","- C80.996 H133.992 K2 N8 O22.499 -","- C647.968 H1071.94 K16 N64 O179.992 -","8","1","","Ullman, Andrew M.; Sun, Xianru; Graham, Daniel J.; Lopez, Nazario; Nava, Matthew; De Las Cuevas, Rebecca; Müller, Peter; Rybak-Akimova, Elena V; Cummins, Christopher C.; Nocera, Daniel G.","Electron-transfer studies of a peroxide dianion.","Inorganic chemistry","2014","53","10","5384","5391","10.1021/ic500759g","","","0.71073","MoKα","","0.095","0.0616","","","0.1661","0.1921","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338256","19.365","0.003","5.0144","0.0007","15.594","0.002","90","","111.445","0.003","90","","1409.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[CoN4]","","","- C15 H21 Co N4 -","- C15 H21 Co N4 -","- C60 H84 Co4 N16 -","4","1","","Lacy, David C.; McCrory, Charles C. L.; Peters, Jonas C.","Studies of Cobalt-Mediated Electrocatalytic CO2 Reduction Using a Redox-Active Ligand.","Inorganic chemistry","2014","53","10","4980","4988","10.1021/ic403122j","","","0.71073","MoKα","","0.0476","0.0339","","","0.0812","0.085","","","","","","1.019","","","","has coordinates","201218","2020-10-21","18:00:00",""
"4338257","17.3997","0.0012","12.7606","0.0008","18.5157","0.001","90","","106.663","0.001","90","","3938.4","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Co(II)N4H(MeCN)](OTf)(BPh4)","","","- C42 H45 B Co F3 N5 O3 S -","- C42 H45 B Co F3 N5 O3 S -","- C168 H180 B4 Co4 F12 N20 O12 S4 -","4","1","","Lacy, David C.; McCrory, Charles C. L.; Peters, Jonas C.","Studies of Cobalt-Mediated Electrocatalytic CO2 Reduction Using a Redox-Active Ligand.","Inorganic chemistry","2014","53","10","4980","4988","10.1021/ic403122j","","","0.71073","MoKα","","0.0405","0.0359","","","0.0918","0.095","","","","","","1.003","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338258","10.8505","0.0006","11.3972","0.0006","14.1924","0.0008","84.438","0.003","77.625","0.003","80.132","0.003","1685.66","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H45 B Co N5 -","- C41 H45 B Co N5 -","- C82 H90 B2 Co2 N10 -","2","1","","Lacy, David C.; McCrory, Charles C. L.; Peters, Jonas C.","Studies of Cobalt-Mediated Electrocatalytic CO2 Reduction Using a Redox-Active Ligand.","Inorganic chemistry","2014","53","10","4980","4988","10.1021/ic403122j","","","0.71073","","","0.0471","0.0339","","","","0.1249","","","","","","0.934","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338259","15.7237","0.0004","35.9821","0.0007","18.9825","0.0007","90","","90","","90","","10739.8","0.5","100","2","100","2","","","","","","","","5","P b a n","-P 2ab 2b","50","","","","- C55 H40 Fe N6 Se2 -","- C55 H40 Fe N6 Se2 -","- C220 H160 Fe4 N24 Se8 -","4","","","Chen, Xiang-Yi; Huang, Rong-Bin; Zheng, Lan-Sun; Tao, Jun","Co-ligand and Solvent Effects on the Spin-Crossover Behaviors of PtS-type Porous Coordination Polymers.","Inorganic chemistry","2014","53","10","5246","5252","10.1021/ic500463m","","","1.54184","CuKα","","0.2059","0.1086","","","0.2496","0.2922","","","","","","0.995","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338260","16.9134","0.0007","40.299","0.004","35.5326","0.0013","90","","90","","90","","24219","3","155","2","155","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C55 H40 Fe N6 Se2 -","- C55 H40 Fe N6 Se2 -","- C440 H320 Fe8 N48 Se16 -","8","1","","Chen, Xiang-Yi; Huang, Rong-Bin; Zheng, Lan-Sun; Tao, Jun","Co-ligand and Solvent Effects on the Spin-Crossover Behaviors of PtS-type Porous Coordination Polymers.","Inorganic chemistry","2014","53","10","5246","5252","10.1021/ic500463m","","","1.54184","CuKα","","0.1823","0.0928","","","0.2028","0.2294","","","","","","0.98","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338261","17.5637","0.0011","35.4521","0.0017","20.845","0.0017","90","","90","","90","","12979.6","1.5","220","2","220","2","","","","","","","","5","P b a n","-P 2ab 2b","50","","","","- C55 H40 Fe N6 Se2 -","- C55 H40 Fe N6 Se2 -","- C220 H160 Fe4 N24 Se8 -","4","","","Chen, Xiang-Yi; Huang, Rong-Bin; Zheng, Lan-Sun; Tao, Jun","Co-ligand and Solvent Effects on the Spin-Crossover Behaviors of PtS-type Porous Coordination Polymers.","Inorganic chemistry","2014","53","10","5246","5252","10.1021/ic500463m","","","1.54184","CuKα","","0.2018","0.1089","","","0.2503","0.2877","","","","","","0.998","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338262","15.7537","0.0005","36.0206","0.0008","18.9925","0.0006","90","","90","","90","","10777.4","0.5","110","2","110","2","","","","","","","","5","P b a n","-P 2ab 2b","50","","","","- C55 H46 B2 Fe N6 -","- C55 H40 B2 Fe N6 -","- C220 H160 B8 Fe4 N24 -","4","","","Chen, Xiang-Yi; Huang, Rong-Bin; Zheng, Lan-Sun; Tao, Jun","Co-ligand and Solvent Effects on the Spin-Crossover Behaviors of PtS-type Porous Coordination Polymers.","Inorganic chemistry","2014","53","10","5246","5252","10.1021/ic500463m","","","1.54184","CuKα","","0.2031","0.1036","","","0.2435","0.2887","","","","","","0.985","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338263","16.9434","0.0006","40.319","0.005","35.6426","0.0011","90","","90","","90","","24349","3","175","2","175","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C55 H46 B2 Fe N6 -","- C55 H46 B2 Fe N6 -","- C440 H368 B16 Fe8 N48 -","8","1","","Chen, Xiang-Yi; Huang, Rong-Bin; Zheng, Lan-Sun; Tao, Jun","Co-ligand and Solvent Effects on the Spin-Crossover Behaviors of PtS-type Porous Coordination Polymers.","Inorganic chemistry","2014","53","10","5246","5252","10.1021/ic500463m","","","1.54184","CuKα","","0.1853","0.0946","","","0.2042","0.2334","","","","","","0.996","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338264","17.5817","0.001","35.4511","0.0013","20.853","0.0014","90","","90","","90","","12997.5","1.2","220","2","220","2","","","","","","","","5","P b a n","-P 2ab 2b","50","","","","- C55 H46 B2 Fe N6 -","- C55 H40 B2 Fe N6 -","- C220 H160 B8 Fe4 N24 -","4","","","Chen, Xiang-Yi; Huang, Rong-Bin; Zheng, Lan-Sun; Tao, Jun","Co-ligand and Solvent Effects on the Spin-Crossover Behaviors of PtS-type Porous Coordination Polymers.","Inorganic chemistry","2014","53","10","5246","5252","10.1021/ic500463m","","","1.54184","CuKα","","0.2019","0.1088","","","0.2501","0.2867","","","","","","0.975","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338265","10.64982","0.00025","10.64982","0.00025","38.7871","0.001","90","","90","","120","","3809.8","0.16","300","","300","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","Whitlockite","- Ca32.24 Eu2.11 O168 P42 Sr28.67 -","- Ca32.238 Eu2.0976 O168 P42 Sr28.668 -","- Ca32.238 Eu2.0976 O168 P42 Sr28.668 -","1","0.0555556","","Ji, Haipeng; Huang, Zhaohui; Xia, Zhiguo; Molokeev, Maxim S.; Atuchin, Victor V.; Fang, Minghao; Huang, Saifang","New Yellow-Emitting Whitlockite-type Structure Sr1.75Ca1.25(PO4)2:Eu(2+) Phosphor for Near-UV Pumped White Light-Emitting Devices.","Inorganic chemistry","2014","53","10","5129","5135","10.1021/ic500230v","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.47","1.334","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338266","8.8776","0.0002","8.8776","0.0002","19.5912","0.0008","90","","90","","120","","1337.16","0.07","355","2","355","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H48 Mn6 N12 O36 -","- C24 H41.76 Mn6 N12.06 O36 -","- C24 H41.76 Mn6 N12.06 O36 -","1","0.0277778","","Mączka, Mirosław; Ciupa, Aneta; Gągor, Anna; Sieradzki, Adam; Pikul, Adam; Macalik, Bogusław; Drozd, Marek","Perovskite Metal Formate Framework of [NH2-CH(+)-NH2]Mn(HCOO)3]: Phase Transition, Magnetic, Dielectric, and Phonon Properties.","Inorganic chemistry","2014","53","10","5260","5268","10.1021/ic500479e","","","0.71073","MoKα","","0.023","0.0196","","","0.0602","0.0666","","","","","","0.801","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338267","13.8035","0.0007","8.6913","0.0004","8.4626","0.0004","90","","119.664","0.004","90","","882.2","0.08","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Mn N2 O6 -","- C4 H7 Mn N2 O6 -","- C16 H28 Mn4 N8 O24 -","4","0.5","","Mączka, Mirosław; Ciupa, Aneta; Gągor, Anna; Sieradzki, Adam; Pikul, Adam; Macalik, Bogusław; Drozd, Marek","Perovskite Metal Formate Framework of [NH2-CH(+)-NH2]Mn(HCOO)3]: Phase Transition, Magnetic, Dielectric, and Phonon Properties.","Inorganic chemistry","2014","53","10","5260","5268","10.1021/ic500479e","","","0.71073","MoKα","","0.0323","0.0274","","","0.0727","0.0758","","","","","","1.086","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338268","13.4375","0.0007","8.6838","0.0004","8.4075","0.0004","90","","118.148","0.004","90","","865.03","0.08","110","1","110","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Mn N2 O6 -","- C4 H8 Mn N2 O6 -","- C16 H32 Mn4 N8 O24 -","4","0.5","","Mączka, Mirosław; Ciupa, Aneta; Gągor, Anna; Sieradzki, Adam; Pikul, Adam; Macalik, Bogusław; Drozd, Marek","Perovskite Metal Formate Framework of [NH2-CH(+)-NH2]Mn(HCOO)3]: Phase Transition, Magnetic, Dielectric, and Phonon Properties.","Inorganic chemistry","2014","53","10","5260","5268","10.1021/ic500479e","","","0.71073","MoKα","","0.0224","0.0199","","","0.0492","0.0504","","","","","","1.057","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338269","31.399","0.006","27.759","0.005","17.295","0.003","90","","92.963","0.002","90","","15054","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C125 H256 N14 O27 Tb4 -","- C125 H256 N14 O27 Tb4 -","- C500 H1024 N56 O108 Tb16 -","4","1","","Armelao, Lidia; Belli Dell'Amico, Daniela; Biagini, Paolo; Bottaro, Gregorio; Chiaberge, Stefano; Falvo, Paola; Labella, Luca; Marchetti, Fabio; Samaritani, Simona","Preparation of n,n-dialkylcarbamato lanthanide complexes by extraction of lanthanide ions from aqueous solution into hydrocarbons.","Inorganic chemistry","2014","53","10","4861","4871","10.1021/ic402936z","","","0.71073","MoKα","","0.2179","0.1186","","","0.2909","0.3472","","","","","","1.089","","","","has coordinates,has disorder","179485","2020-10-21","18:00:00",""
"4338270","35.593","0.003","23.278","0.002","28.87","0.002","90","","90","","90","","23920","3","150","2","150","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C132 H162 Co2 Fe4 N24 Ni3 O32 -","- C132 H162 Co2 Fe4 N24 Ni3 O32 -","- C528 H648 Co8 Fe16 N96 Ni12 O128 -","4","","","Lytvynenko, A. S.; Kolotilov, S. V.; Kiskin, M. A.; Cador, O.; Golhen, S.; Aleksandrov, G. G.; Mishura, A. M.; Titov, V. E.; Ouahab, L.; Eremenko, I. L.; Novotortsev, V. M.","Redox-Active Porous Coordination Polymers Prepared by Trinuclear Heterometallic Pivalate Linking with the Redox-Active Nickel(II) Complex: Synthesis, Structure, Magnetic and Redox Properties, and Electrocatalytic Activity in Organic Compound Dehalogenation in Heterogeneous Medium.","Inorganic chemistry","2014","53","10","4970","4979","10.1021/ic403167m","","","0.71073","MoKα","","0.1279","0.0991","","","0.2793","0.2988","","","","","","1.09","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338271","8.2395","0.0002","20.3085","0.0009","13.6924","0.0005","90","","102.441","0.002","90","","2237.37","0.14","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H18 N8 Ni O2 -","- C24 H18 N8 Ni O2 -","- C96 H72 N32 Ni4 O8 -","4","1","","Lytvynenko, A. S.; Kolotilov, S. V.; Kiskin, M. A.; Cador, O.; Golhen, S.; Aleksandrov, G. G.; Mishura, A. M.; Titov, V. E.; Ouahab, L.; Eremenko, I. L.; Novotortsev, V. M.","Redox-Active Porous Coordination Polymers Prepared by Trinuclear Heterometallic Pivalate Linking with the Redox-Active Nickel(II) Complex: Synthesis, Structure, Magnetic and Redox Properties, and Electrocatalytic Activity in Organic Compound Dehalogenation in Heterogeneous Medium.","Inorganic chemistry","2014","53","10","4970","4979","10.1021/ic403167m","","","0.71069","MoKα","","0.0963","0.0443","","","0.1048","0.1391","","","","","","1.069","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338272","9.0711","0.0005","9.6401","0.0004","11.0829","0.0007","90.337","0.004","113.571","0.006","98.063","0.004","877.46","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H40 Cu2 N10 O6 -","- C30 H40 Cu2 N10 O6 -","- C30 H40 Cu2 N10 O6 -","1","1","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","1.54184","CuKα","","0.0381","0.0351","","","0.0943","0.0971","","","","","","1.048","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338273","13.533","0.002","13.533","0.002","14.972","0.004","90","","90","","90","","2742","0.9","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C19 H24 Cu2 N6 O6 -","- C19 H24 Cu2 N6 O6 -","- C76 H96 Cu8 N24 O24 -","4","0.5","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","0.71073","MoKα","","0.0781","0.064","","","0.1847","0.2008","","","","","","0.997","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338274","13.5401","0.0004","13.5401","0.0004","16.1906","0.001","90","","90","","90","","2968.3","0.2","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H24 Cu2 N6 O6 -","- C19 H24 Cu2 N6 O6 -","- C76 H96 Cu8 N24 O24 -","4","0.5","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","0.71073","MoKα","","0.0692","0.0652","","","0.19","0.1936","","","","","","1.021","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338275","13.014","0.003","14.394","0.003","16.306","0.003","90","","90","","90","","3054.5","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Cu2 N6 O7 -","- C27 H34 Cu2 N6 O7 -","- C108 H136 Cu8 N24 O28 -","4","1","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","0.71073","MoKα","","0.074","0.0641","","","0.1786","0.1936","","","","","","1.019","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338276","13.492","0.002","14.377","0.002","16.191","0.003","90","","90","","90","","3140.6","0.9","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Cu2 N6 O7 -","- C28 H36 Cu2 N6 O7 -","- C112 H144 Cu8 N24 O28 -","4","1","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","0.71073","MoKα","","0.0426","0.0363","","","0.0923","0.1","","","","","","1.014","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338277","13.4134","0.0005","14.0452","0.0006","16.3011","0.0008","90","","90","","90","","3071","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cu2 N6 O6 -","- C19 H24 Cu2 N6 O6 -","- C76 H96 Cu8 N24 O24 -","4","1","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","0.71073","MoKα","","0.0486","0.0467","","","0.1483","0.1514","","","","","","1.063","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338278","13.0844","0.0002","14.0741","0.0002","16.4507","0.0003","90","","90","","90","","3029.42","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cu2 N6 O6 -","- C19 H24 Cu2 N6 O6 -","- C76 H96 Cu8 N24 O24 -","4","1","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","1.54184","CuKα","","0.0623","0.0593","","","0.1798","0.1863","","","","","","1.021","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338279","13.505","0.0004","13.505","0.0004","14.9246","0.001","90","","90","","90","","2722","0.2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H24 Cu2 N6 O6 -","- C19 H24 Cu2 N6 O6 -","- C76 H96 Cu8 N24 O24 -","4","0.5","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","0.71073","MoKα","","0.0339","0.0322","","","0.0883","0.0896","","","","","","1.019","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338280","13.041","0.003","14.411","0.004","16.307","0.004","90","","90","","90","","3064.6","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Cu2 N6 O7 -","- C27 H34 Cu2 N6 O7 -","- C108 H136 Cu8 N24 O28 -","4","1","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","0.71073","MoKα","","0.0515","0.0398","","","0.1007","0.1232","","","","","","1.035","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338281","13.504","0.004","14.375","0.004","16.193","0.005","90","","90","","90","","3143.4","1.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Cu2 N6 O7 -","- C28 H35 Cu2 N6 O7 -","- C112 H140 Cu8 N24 O28 -","4","1","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","0.71073","MoKα","","0.0842","0.0754","","","0.2174","0.2261","","","","","","1.056","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338282","18.3309","0.0004","20.3938","0.0004","30.927","0.003","90","","90","","90","","11561.6","1.2","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H143 N6 O62 S2 V W17 -","- C62 H143 N6 O62 S2 V0.9981 W17.0019 -","- C248 H572 N24 O248 S8 V3.9924 W68.0076 -","4","1","","Ueda, Tadaharu; Ohnishi, Miho; Shiro, Motoo; Nambu, Jun-Ichi; Yonemura, Toshiaki; Boas, John F.; Bond, Alan M.","Synthesis and Characterization of Novel Wells-Dawson-Type Mono Vanadium(V)-Substituted Tungsto-polyoxometalate Isomers: 1- and 4-[S2VW17O62](5-).","Inorganic chemistry","2014","53","10","4891","4898","10.1021/ic402994q","","","0.71075","MoKα","","","0.0236","","","","0.04","","","","","","1.221","","","","has coordinates,has disorder","179485","2020-10-21","18:00:00",""
"4338283","26.1401","0.0005","15.5551","0.0003","35.844","0.003","90","","105.853","0.008","90","","14020.3","1.4","123","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H192 N9 O62 S2 V W17 -","- C88 H192 N9 O62 S2 V W17 -","- C352 H768 N36 O248 S8 V4 W68 -","4","0.5","","Ueda, Tadaharu; Ohnishi, Miho; Shiro, Motoo; Nambu, Jun-Ichi; Yonemura, Toshiaki; Boas, John F.; Bond, Alan M.","Synthesis and Characterization of Novel Wells-Dawson-Type Mono Vanadium(V)-Substituted Tungsto-polyoxometalate Isomers: 1- and 4-[S2VW17O62](5-).","Inorganic chemistry","2014","53","10","4891","4898","10.1021/ic402994q","","","0.71075","MoKα","","","0.0339","","","","0.07","","","","","","1.063","","","","has coordinates,has disorder","179485","2020-10-21","18:00:00",""
"4338284","25.32","0.0012","14.9752","0.0009","19.8856","0.001","90","","94.325","0.005","90","","7518.6","0.7","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12",";TbCN@C2(5)-C82/Ni(OEP)/2benzene;","","","- C131 H56 N5 Ni Tb -","- C131 H56 N5 Ni Tb1.012 -","- C524 H224 N20 Ni4 Tb4.048 -","4","0.5","","Liu, Fupin; Wang, Song; Guan, Jian; Wei, Tao; Zeng, Minxiang; Yang, Shangfeng","Putting a Terbium-Monometallic Cyanide Cluster into the C82 Fullerene Cage: TbCN@C2(5)-C82.","Inorganic chemistry","2014","53","10","5201","5205","10.1021/ic500353k","","","1.54178","CuKα","","0.1388","0.102","","","0.2645","0.3119","","","","","","1.028","","","","has coordinates,has disorder","179485","2020-10-21","18:00:00",""
"4338285","26.5714","0.0013","10.1418","0.0004","30.0836","0.0013","90","","107.24","0.002","90","","7742.8","0.6","143","1","143","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C H13 B10 F3 O3 S -","- C H13 B10 F3 O3 S -","- C24 H312 B240 F72 O72 S24 -","24","6","","Berkeley, Emily R.; Ewing, William C.; Carroll, Patrick J.; Sneddon, Larry G.","Synthesis, Structural Characterization, and Reactivity Studies of 5-CF3SO3-B10H13.","Inorganic chemistry","2014","53","10","5348","5358","10.1021/ic500684b","","","1.54178","CuKα","","0.0468","0.0403","","","0.1075","0.1121","","","","","","1.04","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338286","8.9773","0.0006","9.171","0.0006","13.2526","0.0009","106.352","0.002","108.944","0.002","90.169","0.002","984.89","0.12","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C10 H33 B10 I -","- C10 H33 B10 I -","- C20 H66 B20 I2 -","2","1","","Berkeley, Emily R.; Ewing, William C.; Carroll, Patrick J.; Sneddon, Larry G.","Synthesis, Structural Characterization, and Reactivity Studies of 5-CF3SO3-B10H13.","Inorganic chemistry","2014","53","10","5348","5358","10.1021/ic500684b","","","0.71073","MoKα","","0.0273","0.0238","","","0.0614","0.0634","","","","","","1.248","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338287","10.432","0.0006","33.6664","0.0018","11.2227","0.0006","90","","90","","90","","3941.5","0.4","143","1","143","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H23 B10 F3 O3 S3 -","- C5 H23 B10 F3 O3 S3 -","- C40 H184 B80 F24 O24 S24 -","8","2","","Berkeley, Emily R.; Ewing, William C.; Carroll, Patrick J.; Sneddon, Larry G.","Synthesis, Structural Characterization, and Reactivity Studies of 5-CF3SO3-B10H13.","Inorganic chemistry","2014","53","10","5348","5358","10.1021/ic500684b","","","0.71073","MoKα","","0.0293","0.0278","","","0.0714","0.0736","","","","","","1.085","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338288","20.455","0.002","8.4276","0.0009","11.1528","0.0013","90","","102.767","0.006","90","","1875.1","0.4","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 B10 F6 O3 S -","- C10 H14 B10 F6 O3 S -","- C40 H56 B40 F24 O12 S4 -","4","1","","Berkeley, Emily R.; Ewing, William C.; Carroll, Patrick J.; Sneddon, Larry G.","Synthesis, Structural Characterization, and Reactivity Studies of 5-CF3SO3-B10H13.","Inorganic chemistry","2014","53","10","5348","5358","10.1021/ic500684b","","","0.71073","MoKα","","0.0943","0.0541","","","0.1184","0.136","","","","","","1.026","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338289","30.8501","0.001","9.0825","0.0003","35.4674","0.0011","90","","105.777","0.002","90","","9563.4","0.5","143","1","143","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C H20.33333 B10 F3 N2 O4.66667 S -","- C H20.3333 B10 F3 N2 O4.66667 S -","- C24 H488 B240 F72 N48 O112 S24 -","24","3","","Berkeley, Emily R.; Ewing, William C.; Carroll, Patrick J.; Sneddon, Larry G.","Synthesis, Structural Characterization, and Reactivity Studies of 5-CF3SO3-B10H13.","Inorganic chemistry","2014","53","10","5348","5358","10.1021/ic500684b","","","0.71073","MoKα","","0.0721","0.0533","","","0.138","0.1499","","","","","","1.041","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338290","10.6535","0.0007","12.7137","0.0008","14.3226","0.0009","99.401","0.001","103.677","0.001","107.05","0.001","1744.64","0.19","193","2","193","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C33 H40 Cl F6 Fe N4 O Sb -","- C33 H40 Cl F6 Fe N4 O Sb -","- C66 H80 Cl2 F12 Fe2 N8 O2 Sb2 -","2","1","","Zhang, Qiao; Goldsmith, Christian R.","Kinetic analysis of the formation and decay of a non-heme ferric hydroperoxide species susceptible to o-o bond homolysis.","Inorganic chemistry","2014","53","10","5206","5211","10.1021/ic5003786","","x-ray","0.71073","MoKα","","0.0494","0.0429","","","0.0984","0.1018","","","","","","1.169","","","","has coordinates,has disorder","179485","2020-10-21","18:00:00",""
"4338291","30.4589","0.0008","30.4589","0.0008","44.287","0.004","90","","90","","90","","41087","4","135","2","135","2","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C208 H96 Cl4 Mn4 N16 O72 Zn16 -","- C208 H80 Cl4 Mn4 N16 O72 Zn16 -","- C832 H320 Cl16 Mn16 N64 O288 Zn64 -","4","0.125","","Yang, Xiu-Li; Wu, Chuan-De","Metalloporphyrinic framework containing multiple pores for highly efficient and selective epoxidation.","Inorganic chemistry","2014","53","10","4797","4799","10.1021/ic500531k","","","1.54178","CuKα","","0.1919","0.1304","","","0.2537","0.2771","","","","","","1.116","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338292","35.565","0.0009","35.565","0.0009","35.565","0.0009","90","","90","","90","","44985","2","100","2","100","2","","","","","","","","8","F d -3 :2","-F 2uv 2vw 3","203","","","","- Co16 Ge4 H244 K1.5 Na30.5 O280 P4 W36 -","- Co16 Ge4 Na18 O203 P4 W36 -","- Co128 Ge32 Na144 O1624 P32 W288 -","8","0.0833333","","Ibrahim, Masooma; Haider, Ali; Lan, Yanhua; Bassil, Bassem S.; Carey, Akina M.; Liu, Rongji; Zhang, Guangjin; Keita, Bineta; Li, Wenhui; Kostakis, George E.; Powell, Annie K.; Kortz, Ulrich","Multinuclear Cobalt(II)-Containing Heteropolytungstates: Structure, Magnetism, and Electrochemistry.","Inorganic chemistry","2014","53","10","5179","5188","10.1021/ic500298u","","","0.71073","MoKα","","0.1165","0.0733","","","0.1881","0.2433","","","","","","1.004","","","","has coordinates","289031","2024-01-11","08:36:03",""
"4338293","24.851","0.0006","24.851","0.0006","60.8811","0.0012","90","","90","","120","","32561.2","1.3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- Co16 H168 Na32 O242 P4 Si4 W36 -","- Co16 Na12 O200.75 P4 Si4 W36 -","- Co96 Na72 O1204.5 P24 Si24 W216 -","6","0.333333","","Ibrahim, Masooma; Haider, Ali; Lan, Yanhua; Bassil, Bassem S.; Carey, Akina M.; Liu, Rongji; Zhang, Guangjin; Keita, Bineta; Li, Wenhui; Kostakis, George E.; Powell, Annie K.; Kortz, Ulrich","Multinuclear Cobalt(II)-Containing Heteropolytungstates: Structure, Magnetism, and Electrochemistry.","Inorganic chemistry","2014","53","10","5179","5188","10.1021/ic500298u","","","0.71073","MoKα","","0.1225","0.0934","","","0.2554","0.286","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338294","9.7272","0.0003","9.7272","0.0003","7.1816","0.0003","90","","90","","120","","588.47","0.04","293","","293","","","","","","","","","5","P 63/m","-P 6c","176","","","","- H0.625 La8.423 Na1.423 O25.884 Si6 -","- H0.624 La8.422 Na1.422 O25.884 Si6 -","- H0.624 La8.422 Na1.422 O25.884 Si6 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Keenan, Philip J.; Slater, Peter R.; Brink, Frank; Hester, James; An, Tao; White, Tim J.","Hydrothermal synthesis, structure investigation, and oxide ion conductivity of mixed si/ge-based apatite-type phases.","Inorganic chemistry","2014","53","10","4803","4812","10.1021/ic402370e","powder diffraction","neutron","1.622","Neutron","","0.0414","","","","","","","","1.69","","","","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338295","9.7332","0.0003","9.7332","0.0003","7.1863","0.0003","90","","90","","120","","589.59","0.04","293","","293","","","","","","","","","6","P 63/m","-P 6c","176","","","","- Ge0.181 H0.982 La8.395 Na1.535 O26.123 Si5.819 -","- Ge0.18 H0.98 La8.398 Na1.534 O26.124 Si5.82 -","- Ge0.18 H0.98 La8.398 Na1.534 O26.124 Si5.82 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Keenan, Philip J.; Slater, Peter R.; Brink, Frank; Hester, James; An, Tao; White, Tim J.","Hydrothermal synthesis, structure investigation, and oxide ion conductivity of mixed si/ge-based apatite-type phases.","Inorganic chemistry","2014","53","10","4803","4812","10.1021/ic402370e","powder diffraction","neutron","1.622","Neutron","","0.0419","","","","","","","","1.91","","","","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338296","9.7503","0.0002","9.7503","0.0002","7.1955","0.0002","90","","90","","120","","592.42","0.02","293","","293","","","","","","","","","6","P 63/m","-P 6c","176","","","","- Ge0.56 H0.626 La8.587 Na1.231 O25.71 Si5.44 -","- Ge0.558 H0.628 La8.59 Na1.23 O25.708 Si5.442 -","- Ge0.558 H0.628 La8.59 Na1.23 O25.708 Si5.442 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Keenan, Philip J.; Slater, Peter R.; Brink, Frank; Hester, James; An, Tao; White, Tim J.","Hydrothermal synthesis, structure investigation, and oxide ion conductivity of mixed si/ge-based apatite-type phases.","Inorganic chemistry","2014","53","10","4803","4812","10.1021/ic402370e","powder diffraction","neutron","1.622","Neutron","","0.0439","","","","","","","","1.86","","","","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338297","9.7912","0.0003","9.7912","0.0003","7.2058","0.0002","90","","90","","120","","598.25","0.03","293","","293","","","","","","","","","6","P 63/m","-P 6c","176","","","","- Ge1.303 H0.438 La8.403 Na1.307 O25.583 Si4.697 -","- Ge1.302 H0.436 La8.406 Na1.306 O25.584 Si4.698 -","- Ge1.302 H0.436 La8.406 Na1.306 O25.584 Si4.698 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Keenan, Philip J.; Slater, Peter R.; Brink, Frank; Hester, James; An, Tao; White, Tim J.","Hydrothermal synthesis, structure investigation, and oxide ion conductivity of mixed si/ge-based apatite-type phases.","Inorganic chemistry","2014","53","10","4803","4812","10.1021/ic402370e","powder diffraction","neutron","1.622","Neutron","","0.039","","","","","","","","1.68","","","","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338298","9.8442","0.0004","9.8442","0.0004","7.2185","0.0002","90","","90","","120","","605.81","0.04","293","","293","","","","","","","","","6","P 63/m","-P 6c","176","","","","- Ge3.129 H0.428 La8.581 Na1.168 O25.615 Si2.871 -","- Ge3.126 H0.428 La8.578 Na1.166 O25.616 Si2.874 -","- Ge3.126 H0.428 La8.578 Na1.166 O25.616 Si2.874 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Keenan, Philip J.; Slater, Peter R.; Brink, Frank; Hester, James; An, Tao; White, Tim J.","Hydrothermal synthesis, structure investigation, and oxide ion conductivity of mixed si/ge-based apatite-type phases.","Inorganic chemistry","2014","53","10","4803","4812","10.1021/ic402370e","powder diffraction","neutron","1.622","Neutron","","0.0474","","","","","","","","1.82","","","","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338299","9.8973","0.0003","9.8973","0.0003","7.2309","0.0002","90","","90","","120","","613.42","0.03","293","","293","","","","","","","","","6","P 63/m","-P 6c","176","","","","- Ge4.488 H0.958 La8.463 Na1.174 O26.021 Si1.512 -","- Ge4.488 H0.96 La8.462 Na1.178 O26.02 Si1.512 -","- Ge4.488 H0.96 La8.462 Na1.178 O26.02 Si1.512 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Keenan, Philip J.; Slater, Peter R.; Brink, Frank; Hester, James; An, Tao; White, Tim J.","Hydrothermal synthesis, structure investigation, and oxide ion conductivity of mixed si/ge-based apatite-type phases.","Inorganic chemistry","2014","53","10","4803","4812","10.1021/ic402370e","powder diffraction","neutron","1.622","Neutron","","0.0397","","","","","","","","1.72","","","","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338300","9.9451","0.0002","9.9451","0.0002","7.2431","0.0002","90","","90","","120","","620.4","0.02","293","","293","","","","","","","","","6","P 63/m","-P 6c","176","","","","- Ge5.239 H1.063 La8.634 Na1.19 O25.877 Si0.761 -","- Ge5.238 H1.064 La8.632 Na1.192 O25.876 Si0.762 -","- Ge5.238 H1.064 La8.632 Na1.192 O25.876 Si0.762 -","1","0.0833333","","Li, Henan; Baikie, Tom; Pramana, Stevin S.; Shin, J. Felix; Keenan, Philip J.; Slater, Peter R.; Brink, Frank; Hester, James; An, Tao; White, Tim J.","Hydrothermal synthesis, structure investigation, and oxide ion conductivity of mixed si/ge-based apatite-type phases.","Inorganic chemistry","2014","53","10","4803","4812","10.1021/ic402370e","powder diffraction","neutron","1.622","Neutron","","0.0426","","","","","","","","1.96","","","","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338301","17.034","0.007","9.392","0.004","19.457","0.011","90","","114.958","0.01","90","","2822","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 Cl Fe N5 O5 -","- C28 H32 Cl Fe N5 O5 -","- C112 H128 Cl4 Fe4 N20 O20 -","4","1","","Chakraborty, Biswarup; Bhunya, Sourav; Paul, Ankan; Paine, Tapan Kanti","Reactivity of Biomimetic Iron(II)-2-aminophenolate Complexes toward Dioxygen: Mechanistic Investigations on the Oxidative C-C Bond Cleavage of Substituted 2-Aminophenols.","Inorganic chemistry","2014","53","10","4899","4912","10.1021/ic403043e","","","0.71073","MoKα","","0.1242","0.0736","","","0.1922","0.244","","","","","","1.079","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338302","22.532","0.003","10.9637","0.0015","22.47","0.003","90","","108.98","0.004","90","","5249.1","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H70 B Fe N5 O2 -","- C60 H70 B Fe N5 O2 -","- C240 H280 B4 Fe4 N20 O8 -","4","1","","Chakraborty, Biswarup; Bhunya, Sourav; Paul, Ankan; Paine, Tapan Kanti","Reactivity of Biomimetic Iron(II)-2-aminophenolate Complexes toward Dioxygen: Mechanistic Investigations on the Oxidative C-C Bond Cleavage of Substituted 2-Aminophenols.","Inorganic chemistry","2014","53","10","4899","4912","10.1021/ic403043e","","","0.71073","MoKα","","0.0634","0.0526","","","0.1368","0.1477","","","","","","1.129","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338303","5.11","0.002","5.11","0.002","10.171","0.004","90","","90","","120","","230","0.16","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","disodium magnesium stannide","","- Mg Na2 Pb -","- Mg Na2 Pb -","- Mg2 Na4 Pb2 -","2","0.0833333","","Yamada, Takahiro; Ikeda, Takuji; Stoffel, Ralf P.; Deringer, Volker L.; Dronskowski, Richard; Yamane, Hisanori","Synthesis, Crystal Structure, and High-Temperature Phase Transition of the Novel Plumbide Na2MgPb.","Inorganic chemistry","2014","53","10","5253","5259","10.1021/ic500466w","","","0.71075","MoKα","","0.0507","0.0461","","","0.078","0.0795","","","","","","1.088","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338304","13.876","0.003","7.7082","0.0018","15.541","0.004","90","","106.999","0.002","90","","1589.6","0.7","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 S8 -","- C10 H12 S8 -","- C40 H48 S32 -","4","1","","Gao, Feng; Zhu, Fei-Fei; Wang, Xing-Yong; Xu, Yan; Wang, Xin-Ping; Zuo, Jing-Lin","Stabilizing radical cation and dication of a tetrathiafulvalene derivative by a weakly coordinating anion.","Inorganic chemistry","2014","53","10","5321","5327","10.1021/ic5006117","","","0.71073","MoKα","","0.0314","0.0262","","","0.0907","0.1157","","","","","","1.052","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338305","12.7865","0.0018","18.846","0.003","19.209","0.003","88.469","0.0017","78.073","0.0016","87.409","0.0016","4523.6","1.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H48 Al4 F144 O16 S32 -","- C104 H48 Al4 F144 O16 S32 -","- C104 H48 Al4 F144 O16 S32 -","1","0.5","","Gao, Feng; Zhu, Fei-Fei; Wang, Xing-Yong; Xu, Yan; Wang, Xin-Ping; Zuo, Jing-Lin","Stabilizing radical cation and dication of a tetrathiafulvalene derivative by a weakly coordinating anion.","Inorganic chemistry","2014","53","10","5321","5327","10.1021/ic5006117","","","0.71073","MoKα","","0.1296","0.1003","","","0.2924","0.3286","","","","","","1.362","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4338306","19.443","0.002","17.8404","0.0019","21.047","0.002","90","","90","","90","","7300.6","1.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H6 Al F36 O4 S4 -","- C21 H6 Al F36 O4 S4 -","- C168 H48 Al8 F288 O32 S32 -","8","1","","Gao, Feng; Zhu, Fei-Fei; Wang, Xing-Yong; Xu, Yan; Wang, Xin-Ping; Zuo, Jing-Lin","Stabilizing radical cation and dication of a tetrathiafulvalene derivative by a weakly coordinating anion.","Inorganic chemistry","2014","53","10","5321","5327","10.1021/ic5006117","","","0.71073","MoKα","","0.042","0.0352","","","0.088","0.0941","","","","","","1.026","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338307","11.9312","0.0003","6.8866","0.0002","23.532","0.0006","90","","90","","90","","1933.52","0.09","100","2","100","2","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- B10 K10 O78 U16 -","- B10 K10 O78 U16 -","- B10 K10 O78 U16 -","1","0.25","","Stritzinger, Jared T.; Alekseev, Evgeny V.; Polinski, Matthew J.; Cross, Justin N.; Eaton, Teresa M.; Albrecht-Schmitt, Thomas E","Further Evidence for the Stabilization of U(V) within a Tetraoxo Core.","Inorganic chemistry","2014","53","10","5294","5299","10.1021/ic500523a","","","0.71073","MoKα","","0.0254","0.0238","","","0.0563","0.0574","","","","","","1.056","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338308","13.3979","0.0008","49.867","0.003","6.9305","0.0004","90","","90","","90","","4630.4","0.5","100","2","100","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- B20 K26 O166 U40 -","- B20 K26 O166 U40 -","- B20 K26 O166 U40 -","1","0.125","","Stritzinger, Jared T.; Alekseev, Evgeny V.; Polinski, Matthew J.; Cross, Justin N.; Eaton, Teresa M.; Albrecht-Schmitt, Thomas E","Further Evidence for the Stabilization of U(V) within a Tetraoxo Core.","Inorganic chemistry","2014","53","10","5294","5299","10.1021/ic500523a","","","0.71073","MoKα","","0.0462","0.0393","","","0.099","0.1006","","","","","","1.885","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338309","6.203","0.001","18.654","0.004","6.301","0.002","90","","90","","90","","729.1","0.3","200","2","200","2","","","","","","","","5","C m c m","-C 2c 2","63","Dipotassium pentafluoronitrosyltechnetate(II)monohydrate","Dipotassium pentafluoronitrosyltechnetate(II) monohydrate","","- F5 K2 N O2 Tc -","- F5 K2 N O2 Tc -","- F20 K8 N4 O8 Tc4 -","4","0.25","","Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees, Markus; Abram, Ulrich","Fluoridonitrosyl Complexes of Technetium(I) and Technetium(II). Synthesis, Characterization, Reactions, and DFT Calculations.","Inorganic chemistry","2014","53","10","5117","5128","10.1021/ic500229r","","","0.71073","MoKα","","0.0677","0.0636","","","0.1784","0.1855","","","","","","1.111","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338310","6.469","0.001","18.96","0.003","6.492","0.001","90","","90","","90","","796.3","0.2","200","2","200","2","","","","","","","","5","C m c m","-C 2c 2","63","Dirubidium pentafluoronitrosyltechnetate(II) monohydrate","Dirubidium pentafluoronitrosyltechnetate(II) monohydrate","","- F5 N O2 Rb2 Tc -","- F5 N O2 Rb2 Tc -","- F20 N4 O8 Rb8 Tc4 -","4","0.25","","Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees, Markus; Abram, Ulrich","Fluoridonitrosyl Complexes of Technetium(I) and Technetium(II). Synthesis, Characterization, Reactions, and DFT Calculations.","Inorganic chemistry","2014","53","10","5117","5128","10.1021/ic500229r","","","0.71073","MoKα","","0.0592","0.0546","","","0.143","0.1563","","","","","","1.113","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338311","12.304","0.001","12.304","0.001","8.488","0.001","90","","90","","90","","1285","0.2","200","2","200","2","","","","","","","","7","P 4/m","-P 4","83","","Tetrammine(fluorido)nitrosyltechnetium(I) hexafluorophosphate x 1/2 KPF6","","- F20 H24 K N10 O2 P3 Tc2 -","- F20 H24 K N10 O2 P3 Tc2 -","- F40 H48 K2 N20 O4 P6 Tc4 -","2","0.25","","Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees, Markus; Abram, Ulrich","Fluoridonitrosyl Complexes of Technetium(I) and Technetium(II). Synthesis, Characterization, Reactions, and DFT Calculations.","Inorganic chemistry","2014","53","10","5117","5128","10.1021/ic500229r","","","0.71073","MoKα","","0.0449","0.04","","","0.1043","0.1067","","","","","","1.079","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338312","16.454","0.002","16.454","0.002","6.938","0.001","90","","90","","90","","1878.4","0.4","200","2","200","2","","","","","","","","6","I 4/m","-I 4","87","","Tetrammine(fluorido)nitrosyltechnetium(I) bifluoride x 1/2 RbF","","- F7 H26 N10 O2 Rb Tc2 -","- F7 H26 N10 O2 Rb Tc2 -","- F28 H104 N40 O8 Rb4 Tc8 -","4","0.25","","Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees, Markus; Abram, Ulrich","Fluoridonitrosyl Complexes of Technetium(I) and Technetium(II). Synthesis, Characterization, Reactions, and DFT Calculations.","Inorganic chemistry","2014","53","10","5117","5128","10.1021/ic500229r","","","0.71073","MoKα","","0.0922","0.0797","","","0.2114","0.2237","","","","","","1.071","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4338313","7.501","0.001","13.535","0.001","11.982","0.001","90","","125.87","0.01","90","","985.8","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trans-tetraamminefluoridonitrosyltechnetium(II) sulfate monohydrate","trans-tetraamminefluoridonitrosyltechnetium(II) sulfate monohydrate","","- F H12 N5 O6 S Tc -","- F H12 N5 O6 S Tc -","- F4 H48 N20 O24 S4 Tc4 -","4","1","","Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees, Markus; Abram, Ulrich","Fluoridonitrosyl Complexes of Technetium(I) and Technetium(II). Synthesis, Characterization, Reactions, and DFT Calculations.","Inorganic chemistry","2014","53","10","5117","5128","10.1021/ic500229r","","","0.71073","MoKα","","0.035","0.0291","","","0.0792","0.081","","","","","","1.061","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338314","9.374","0.001","9.379","0.001","14.443","0.002","104.47","0.01","104.42","0.01","98.24","0.01","1161.8","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","Fluoridotetrakis(pyridine)nitrosyltechnetium(I) hexafluorophosphate","","- C20 H20 F7 N5 O P Tc -","- C20 H20 F7 N5 O P Tc -","- C40 H40 F14 N10 O2 P2 Tc2 -","2","1","","Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees, Markus; Abram, Ulrich","Fluoridonitrosyl Complexes of Technetium(I) and Technetium(II). Synthesis, Characterization, Reactions, and DFT Calculations.","Inorganic chemistry","2014","53","10","5117","5128","10.1021/ic500229r","","","0.71073","MoKα","","0.1185","0.0647","","","0.129","0.1523","","","","","","0.865","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338315","7.133","0.001","9.323","0.001","14.198","0.001","99.64","0.01","100.09","0.01","98.18","0.01","902.01","0.18","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","tetrammine(trifluoroacetato)nitrosyltechnetium(I) trifluoroacetate trifluoroacetic acid solvate","","- C6 H13 F9 N5 O7 Tc -","- C6 H13 F9 N5 O7 Tc -","- C12 H26 F18 N10 O14 Tc2 -","2","1","","Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees, Markus; Abram, Ulrich","Fluoridonitrosyl Complexes of Technetium(I) and Technetium(II). Synthesis, Characterization, Reactions, and DFT Calculations.","Inorganic chemistry","2014","53","10","5117","5128","10.1021/ic500229r","","","0.71073","MoKα","","0.0444","0.0387","","","0.101","0.1041","","","","","","1.04","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338316","10.904","0.001","17.594","0.001","17.046","0.001","90","","103.16","0.01","90","","3184.3","0.4","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetraphenylarsonium tetrachlorido(ethanol)nitrosyltechnetate(II) ethanol solvate","","- C28 H32 As Cl4 N O3 Tc -","- C28 H32 As Cl4 N O3 Tc -","- C112 H128 As4 Cl16 N4 O12 Tc4 -","4","1","","Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees, Markus; Abram, Ulrich","Fluoridonitrosyl Complexes of Technetium(I) and Technetium(II). Synthesis, Characterization, Reactions, and DFT Calculations.","Inorganic chemistry","2014","53","10","5117","5128","10.1021/ic500229r","","","0.71073","MoKα","","0.0822","0.0358","","","0.0468","0.0529","","","","","","0.812","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338317","8.3596","0.0003","8.9885","0.0003","9.9801","0.0003","87.287","0.002","66.7094","0.0016","88.053","0.002","687.93","0.04","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","tetrakis(imidazole)bis[imidazoleoxidodiperoxidovanadato(V)]cadmium","","- C18 H24 Cu N12 O10 V2 -","- C18 H24 Cu N12 O10 V2 -","- C18 H24 Cu N12 O10 V2 -","1","0.5","","Bystrický, Roman; Antal, Peter; Tatiersky, Jozef; Schwendt, Peter; Gyepes, Róbert; Zák, Zdirad","Peroxido Complexes of Vanadium(V) as Ligands. Crystal Structures of [Cd(NH3)6][{VO(O2)2(OH)}2{μ-Cd(NH3)4}] and [{VO(O2)2(Im)}2{μ-Cu(Im)4}] (Im = Imidazole).","Inorganic chemistry","2014","53","10","5037","5043","10.1021/ic500066p","","","0.71073","MoKα","","0.0377","0.0301","","","0.0728","0.0767","","","","","","1.118","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338318","7.4932","0.0002","7.5385","0.0002","10.6984","0.0003","82.906","0.003","87.456","0.002","61.54","0.003","527.15","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","hexaammminecadmium(2+) bis[ammineoxidodiperoxidovadatato(V)]tetraamminecadmiumate(2-)","","- Cd2 H32 N10 O12 V2 -","- Cd2 H32 N10 O12 V2 -","- Cd2 H32 N10 O12 V2 -","1","0.5","","Bystrický, Roman; Antal, Peter; Tatiersky, Jozef; Schwendt, Peter; Gyepes, Róbert; Zák, Zdirad","Peroxido Complexes of Vanadium(V) as Ligands. Crystal Structures of [Cd(NH3)6][{VO(O2)2(OH)}2{μ-Cd(NH3)4}] and [{VO(O2)2(Im)}2{μ-Cu(Im)4}] (Im = Imidazole).","Inorganic chemistry","2014","53","10","5037","5043","10.1021/ic500066p","","","0.71073","MoKα","","0.018","0.0175","","","0.0474","0.0476","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338319","9.3552","0.0003","14.1403","0.0005","14.898","0.0006","68.377","0.0016","75.999","0.0015","75.979","0.003","1751.87","0.11","295","","295","","","","","","","","","8","P -1","-P 1","2","","[Ruthenium(II) (?5-cyclopentadienyl)-chloro-triphenylphosphine- N-(2-acetoxy)ethyl-1, 3, 5-triaza-7-phosphaadamantane-P] hexafluorophosphate","","- C33 H39 Cl F6 N3 O2 P3 Ru -","- C33 H39 Cl F6 N3 O2 P3 Ru -","- C66 H78 Cl2 F12 N6 O4 P6 Ru2 -","2","1","","Ferretti, Valeria; Fogagnolo, Marco; Marchi, Andrea; Marvelli, Lorenza; Sforza, Fabio; Bergamini, Paola","Acetylcholine-like and Trimethylglycine-like PTA (1,3,5-Triaza-7-phosphaadamantane) Derivatives for the Development of Innovative Ru- and Pt-Based Therapeutic Agents.","Inorganic chemistry","2014","53","10","4881","4890","10.1021/ic402953s","","","0.71073","MoKα","","0.0692","0.0507","","","0.1415","0.1541","","","","","","1.06","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338320","16.0332","0.0008","15.8365","0.0008","17.3741","0.0009","90","","100.921","0.0016","90","","4331.6","0.4","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C42 H68 Al B Fe2 N6 -","- C42 H68 Al B Fe2 N6 -","- C168 H272 Al4 B4 Fe8 N24 -","4","1","","Oishi, Masataka; Endo, Togo; Oshima, Masato; Suzuki, Hiroharu","Aluminum-Stabilized Low-Spin Iron(II) Hydrido Complexes of 1,4,7-Trimethyl-1,4,7-triazacyclononane.","Inorganic chemistry","2014","53","10","5100","5108","10.1021/ic500195q","","","0.71069","MoKα","","0.1019","0.0509","","","0.0959","0.1206","","","","","","1.058","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338321","12.3874","0.0007","11.9798","0.0007","25.1828","0.0015","90","","92.973","0.0017","90","","3732.1","0.4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H66 Al2 Cl2 Fe2 N6 -","- C26 H66 Al2 Cl2 Fe2 N6 -","- C104 H264 Al8 Cl8 Fe8 N24 -","4","0.5","","Oishi, Masataka; Endo, Togo; Oshima, Masato; Suzuki, Hiroharu","Aluminum-Stabilized Low-Spin Iron(II) Hydrido Complexes of 1,4,7-Trimethyl-1,4,7-triazacyclononane.","Inorganic chemistry","2014","53","10","5100","5108","10.1021/ic500195q","","","0.71069","MoKα","","0.0403","0.0356","","","0.0839","0.0865","","","","","","1.057","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338322","15.5885","0.0005","17.504","0.0005","16.9997","0.0005","90","","97.035","0.003","90","","4603.6","0.2","123","","123","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H76 Al2 Cl Fe2 N6 Na O8 -","- C30 H70 Al2 Cl Fe2 N6 Na O8 -","- C120 H280 Al8 Cl4 Fe8 N24 Na4 O32 -","4","1","","Oishi, Masataka; Endo, Togo; Oshima, Masato; Suzuki, Hiroharu","Aluminum-Stabilized Low-Spin Iron(II) Hydrido Complexes of 1,4,7-Trimethyl-1,4,7-triazacyclononane.","Inorganic chemistry","2014","53","10","5100","5108","10.1021/ic500195q","","","0.71075","MoKα","","","0.0822","","","","0.2477","","","","","","1.064","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338323","10.1258","0.0002","16.6997","0.0004","24.9425","0.0006","90","","90.111","0.0008","90","","4217.71","0.17","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H74 Al Fe N3 O3 -","- C41 H74 Al Fe N3 O3 -","- C164 H296 Al4 Fe4 N12 O12 -","4","1","","Oishi, Masataka; Endo, Togo; Oshima, Masato; Suzuki, Hiroharu","Aluminum-Stabilized Low-Spin Iron(II) Hydrido Complexes of 1,4,7-Trimethyl-1,4,7-triazacyclononane.","Inorganic chemistry","2014","53","10","5100","5108","10.1021/ic500195q","","","0.71069","MoKα","","0.0401","0.0344","","","0.0897","0.0935","","","","","","1.039","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338324","8.765","0.005","14.126","0.009","5.714","0.003","90","","90","","90","","707.5","0.7","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- H0 N4 O24 Pb12 -","- N4 O24 Pb12 -","- N4 O24 Pb12 -","1","0.125","","Wang, Genxiang; Luo, Min; Ye, Ning; Lin, Chensheng; Cheng, Wendan","Series of Lead Oxide Hydroxide Nitrates Obtained by Adjusting the pH Values of the Reaction Systems.","Inorganic chemistry","2014","53","10","5222","5228","10.1021/ic5004116","","","0.71073","MoKα","","0.0577","0.0488","","","0.1324","0.1372","","","","","","1.128","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338325","25.718","0.008","17.275","0.004","18.315","0.005","90","","133.494","0.004","90","","5903","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- H0 N1.19 O4.74 Pb1.19 -","- N1.18519 O4.74074 Pb1.18519 -","- N64 O256 Pb64 -","54","13.5","","Wang, Genxiang; Luo, Min; Ye, Ning; Lin, Chensheng; Cheng, Wendan","Series of Lead Oxide Hydroxide Nitrates Obtained by Adjusting the pH Values of the Reaction Systems.","Inorganic chemistry","2014","53","10","5222","5228","10.1021/ic5004116","","","0.71073","MoKα","","0.0621","0.0572","","","0.12","0.1228","","","","","","1.098","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338326","8.594","0.007","14.601","0.013","23.91","0.02","97.277","0.01","98.222","0.014","91.758","0.008","2942","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- H0 N0.86 O4.14 Pb1.43 -","- N0.857143 O4.14286 Pb1.42857 -","- N24 O116 Pb40 -","28","14","","Wang, Genxiang; Luo, Min; Ye, Ning; Lin, Chensheng; Cheng, Wendan","Series of Lead Oxide Hydroxide Nitrates Obtained by Adjusting the pH Values of the Reaction Systems.","Inorganic chemistry","2014","53","10","5222","5228","10.1021/ic5004116","","","0.71073","MoKα","","0.1044","0.0789","","","0.1932","0.2173","","","","","","1.007","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338327","5.969","0.008","11.931","0.017","14.45","0.02","90","","90","","90","","1029","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H0 N0.8 O4 Pb1.6 -","- N0.8 O4 Pb1.6 -","- N8 O40 Pb16 -","10","1.25","","Wang, Genxiang; Luo, Min; Ye, Ning; Lin, Chensheng; Cheng, Wendan","Series of Lead Oxide Hydroxide Nitrates Obtained by Adjusting the pH Values of the Reaction Systems.","Inorganic chemistry","2014","53","10","5222","5228","10.1021/ic5004116","","","0.71073","MoKα","","0.0727","0.0588","","","0.1808","0.1875","","","","","","1.387","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338328","13.087","0.002","13.948","0.003","14.375","0.003","87.501","0.007","77.561","0.008","65.573","0.006","2330","0.8","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H32 B2 Co F40 N6 O4 -","- C78 H32 B2 Co F40 N6 O4 -","- C78 H32 B2 Co F40 N6 O4 -","1","0.5","","Gass, Ian A.; Tewary, Subrata; Rajaraman, Gopalan; Asadi, Mousa; Lupton, David W.; Moubaraki, Boujemaa; Chastanet, Guillaume; Létard, Jean-Francois; Murray, Keith S.","Solvate-Dependent Spin Crossover and Exchange in Cobalt(II) Oxazolidine Nitroxide Chelates.","Inorganic chemistry","2014","53","10","5055","5066","10.1021/ic5001057","","","0.71073","MoKα","","0.1462","0.0693","","","0.1714","0.1907","","","","","","0.825","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338329","13.0222","0.0007","14.0488","0.0008","22.9888","0.0014","90.156","0.002","95.968","0.002","113.68","0.002","3826.2","0.4","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C79 H34 B2 Cl2 Co F40 N6 O4 -","- C79 H34 B2 Cl2 Co F40 N6 O4 -","- C158 H68 B4 Cl4 Co2 F80 N12 O8 -","2","1","","Gass, Ian A.; Tewary, Subrata; Rajaraman, Gopalan; Asadi, Mousa; Lupton, David W.; Moubaraki, Boujemaa; Chastanet, Guillaume; Létard, Jean-Francois; Murray, Keith S.","Solvate-Dependent Spin Crossover and Exchange in Cobalt(II) Oxazolidine Nitroxide Chelates.","Inorganic chemistry","2014","53","10","5055","5066","10.1021/ic5001057","","","0.71073","MoKα","","0.0928","0.0501","","","0.1113","0.1295","","","","","","1.024","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338330","12.8991","0.0006","13.7949","0.0006","14.2008","0.0008","87.847","0.001","77.654","0.001","66.158","0.002","2254.4","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H52 B2 Co F40 N6 O6 -","- C86 H52 B2 Co F40 N6 O6 -","- C86 H52 B2 Co F40 N6 O6 -","1","0.5","","Gass, Ian A.; Tewary, Subrata; Rajaraman, Gopalan; Asadi, Mousa; Lupton, David W.; Moubaraki, Boujemaa; Chastanet, Guillaume; Létard, Jean-Francois; Murray, Keith S.","Solvate-Dependent Spin Crossover and Exchange in Cobalt(II) Oxazolidine Nitroxide Chelates.","Inorganic chemistry","2014","53","10","5055","5066","10.1021/ic5001057","","","0.71073","MoKα","","0.0979","0.0637","","","0.1709","0.1992","","","","","","1.046","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338331","13.1755","0.0009","14.1877","0.0011","23.3401","0.0017","90.191","0.002","96.024","0.003","113.51","0.002","3973.8","0.5","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C79 H34 B2 Cl2 Co F40 N6 O4 -","- C79 H34 B2 Cl2 Co F40 N6 O4 -","- C158 H68 B4 Cl4 Co2 F80 N12 O8 -","2","1","","Gass, Ian A.; Tewary, Subrata; Rajaraman, Gopalan; Asadi, Mousa; Lupton, David W.; Moubaraki, Boujemaa; Chastanet, Guillaume; Létard, Jean-Francois; Murray, Keith S.","Solvate-Dependent Spin Crossover and Exchange in Cobalt(II) Oxazolidine Nitroxide Chelates.","Inorganic chemistry","2014","53","10","5055","5066","10.1021/ic5001057","","","0.71073","MoKα","","0.1652","0.068","","","0.1475","0.1893","","","","","","0.998","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338332","12.1688","0.0004","25.226","0.0009","28.0399","0.001","90","","90","","90","","8607.4","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H42 Cu3 N12 O43 W12 -","- C60 H42 Cu3 N12 O43 W12 -","- C240 H168 Cu12 N48 O172 W48 -","4","1","","Chi, Ying-Nan; Shen, Pan-Pan; Cui, Feng-Yun; Lin, Zheng-Guo; Chen, Shi-Lu; Hu, Chang-Wen","Symmetry Breaking of α-[H2W12O40](6-) Depends on the Transformation of Isopolyoxotungstates.","Inorganic chemistry","2014","53","10","5029","5036","10.1021/ic500062j","","","0.71073","MoKα","","0.0383","0.0313","","","0.0802","0.1096","","","","","","1.158","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338333","12.145","0.002","25.16","0.005","28.001","0.005","90","","90","","90","","8556","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H49 Cu3 N12 O43 W12 -","- C60 H49 Cu3 N12 O43 W12 -","- C240 H196 Cu12 N48 O172 W48 -","4","1","","Chi, Ying-Nan; Shen, Pan-Pan; Cui, Feng-Yun; Lin, Zheng-Guo; Chen, Shi-Lu; Hu, Chang-Wen","Symmetry Breaking of α-[H2W12O40](6-) Depends on the Transformation of Isopolyoxotungstates.","Inorganic chemistry","2014","53","10","5029","5036","10.1021/ic500062j","","","0.71073","MoKα","","0.0504","0.0413","","","0.0933","0.098","","","","","","1.036","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338334","25.7827","0.0012","10.1372","0.0005","25.3918","0.0012","90","","110.141","0.001","90","","6230.7","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Cu2 N8 O45 W12 -","- C40 H28 Cu2 N8 O45 W12 -","- C160 H112 Cu8 N32 O180 W48 -","4","0.5","","Chi, Ying-Nan; Shen, Pan-Pan; Cui, Feng-Yun; Lin, Zheng-Guo; Chen, Shi-Lu; Hu, Chang-Wen","Symmetry Breaking of α-[H2W12O40](6-) Depends on the Transformation of Isopolyoxotungstates.","Inorganic chemistry","2014","53","10","5029","5036","10.1021/ic500062j","","","0.71073","MoKα","","0.0337","0.0268","","","0.0846","0.1113","","","","","","1.088","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338335","18.1203","0.0009","13.3697","0.0007","28.7433","0.0015","90","","90.689","0.001","90","","6962.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 Cu3 N9 O43 W12 -","- C45 H33 Cu3 N9 O43 W12 -","- C180 H132 Cu12 N36 O172 W48 -","4","1","","Chi, Ying-Nan; Shen, Pan-Pan; Cui, Feng-Yun; Lin, Zheng-Guo; Chen, Shi-Lu; Hu, Chang-Wen","Symmetry Breaking of α-[H2W12O40](6-) Depends on the Transformation of Isopolyoxotungstates.","Inorganic chemistry","2014","53","10","5029","5036","10.1021/ic500062j","","","0.71073","MoKα","","0.0369","0.028","","","0.0712","0.0752","","","","","","1.047","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338336","10.648","0.001","12.2469","0.0011","15.3821","0.0014","84.306","0.002","72.731","0.001","77.757","0.001","1870.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H44 Cl4 Cu4 N12 O32 W10 -","- C60 H44 Cl4 Cu4 N12 O32 W10 -","- C60 H44 Cl4 Cu4 N12 O32 W10 -","1","0.5","","Chi, Ying-Nan; Shen, Pan-Pan; Cui, Feng-Yun; Lin, Zheng-Guo; Chen, Shi-Lu; Hu, Chang-Wen","Symmetry Breaking of α-[H2W12O40](6-) Depends on the Transformation of Isopolyoxotungstates.","Inorganic chemistry","2014","53","10","5029","5036","10.1021/ic500062j","","","0.71073","MoKα","","0.0724","0.0481","","","0.1688","0.2625","","","","","","1.029","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338337","7.6361","0.0001","10.8298","0.0001","7.6564","0.0001","90","","90","","90","","633.165","0.013","298","0.2","298","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- In Nb O8 Te2 -","- In Nb O8 Te2 -","- In4 Nb4 O32 Te8 -","4","1","","Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min","Strong Second Harmonic Generation (SHG) Originating from Combined Second-Order Jahn-Teller (SOJT) Distortive Cations in a New Noncentrosymmetric Tellurite, InNb(TeO4)2.","Inorganic chemistry","2014","53","10","5240","5245","10.1021/ic5004337","","","0.71073","MoKα","","0.0146","0.0141","","","0.0295","0.0296","","","","","","1.078","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338338","16.5448","0.0012","10.3545","0.0007","6.6128","0.0004","90","","99.952","0.004","90","","1115.81","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","compound-1","","","- Cu2 Rb2 S5 Sb2 -","- Cu2 Rb2 S5 Sb2 -","- Cu8 Rb8 S20 Sb8 -","4","1","","Zhang, Chi; Ji, Min; Ji, Shou-Hua; An, Yong-Lin","Mild Solvothermal Syntheses and Characterization of Layered Copper Thioantimonates(III) and Thioarsenate(III).","Inorganic chemistry","2014","53","10","4856","4860","10.1021/ic402864s","","","0.71073","MoKα","","0.0691","0.0637","","","0.1773","0.1804","","","","","","1.102","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338339","7.4013","0.0002","8.5533","0.0002","9.839","0.0002","91.959","0.001","92.218","0.001","101.883","0.001","608.49","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","compound-2","","","- Cs2 Cu2 S5 Sb2 -","- Cs2 Cu2 S5 Sb2 -","- Cs4 Cu4 S10 Sb4 -","2","1","","Zhang, Chi; Ji, Min; Ji, Shou-Hua; An, Yong-Lin","Mild Solvothermal Syntheses and Characterization of Layered Copper Thioantimonates(III) and Thioarsenate(III).","Inorganic chemistry","2014","53","10","4856","4860","10.1021/ic402864s","","","0.71073","MoKα","","0.0289","0.0266","","","0.0672","0.0683","","","","","","1.086","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338340","11.876","0.003","9.1984","0.0019","19.792","0.005","90","","95.985","0.017","90","","2150.3","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","compound-3","","","- As8 Cu6 Rb8 S19 -","- As8 Cu6 Rb8 S19 -","- As16 Cu12 Rb16 S38 -","2","1","","Zhang, Chi; Ji, Min; Ji, Shou-Hua; An, Yong-Lin","Mild Solvothermal Syntheses and Characterization of Layered Copper Thioantimonates(III) and Thioarsenate(III).","Inorganic chemistry","2014","53","10","4856","4860","10.1021/ic402864s","","","0.71073","MoKα","","0.079","0.0541","","","0.1079","0.1191","","","","","","0.991","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338341","10.859","0.005","11.642","0.005","13.179","0.005","67.298","0.005","67.374","0.005","89.883","0.005","1397.6","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H0.5 B2 F2 N2 -","- C33 H32 B2 F2 N2 -","- C66 H64 B4 F4 N4 -","2","1","","Swamy P, Chinna Ayya; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Multichannel-Emissive V-Shaped Boryl-BODIPY Dyads: Synthesis, Structure, and Remarkably Diverse Response toward Fluoride.","Inorganic chemistry","2014","53","10","4813","4823","10.1021/ic402470a","","","0.71073","MoKα","","0.2799","0.0769","","","0.1419","0.1775","","","","","","0.924","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338342","8.3027","0.0011","11.366","0.0016","16.543","0.002","80.372","0.009","80.281","0.009","70.038","0.009","1436.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H36 B2 F2 N2 -","- C35 H36 B2 F2 N2 -","- C70 H72 B4 F4 N4 -","2","1","","Swamy P, Chinna Ayya; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Multichannel-Emissive V-Shaped Boryl-BODIPY Dyads: Synthesis, Structure, and Remarkably Diverse Response toward Fluoride.","Inorganic chemistry","2014","53","10","4813","4823","10.1021/ic402470a","","","0.71073","MoKα","","0.2178","0.0833","","","0.2051","0.2501","","","","","","0.807","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338343","20.3206","0.0014","11.9014","0.0009","13.1195","0.0009","90","","91.995","0.004","90","","3170.9","0.4","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C37 H40 B2 F2 N2 -","- C37 H40 B2 F2 N2 -","- C148 H160 B8 F8 N8 -","4","2","","Swamy P, Chinna Ayya; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Multichannel-Emissive V-Shaped Boryl-BODIPY Dyads: Synthesis, Structure, and Remarkably Diverse Response toward Fluoride.","Inorganic chemistry","2014","53","10","4813","4823","10.1021/ic402470a","","","0.71073","MoKα","","0.1224","0.0763","","","0.1956","0.2174","","","","","","1.025","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338344","9.1473","0.0009","21.0572","0.0019","11.9661","0.0011","90","","110.305","0.001","90","","2161.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 Ge N2 O Te -","- C19 H32 Ge N2 O Te -","- C76 H128 Ge4 N8 O4 Te4 -","4","1","","Siwatch, Rahul Kumar; Yadav, Dhirendra; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Are ligand-stabilized carboxylic Acid derivatives with ge═te bonds isolable?","Inorganic chemistry","2014","53","10","5073","5079","10.1021/ic500116f","","","0.71073","MoKα","","0.0422","0.0325","","","0.0847","0.0913","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338345","8.6907","0.0008","33.647","0.003","10.0933","0.001","90","","111.696","0.002","90","","2742.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H41 Ge N3 Si2 Te -","- C21 H41 Ge N3 Si2 Te -","- C84 H164 Ge4 N12 Si8 Te4 -","4","1","","Siwatch, Rahul Kumar; Yadav, Dhirendra; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Are ligand-stabilized carboxylic Acid derivatives with ge═te bonds isolable?","Inorganic chemistry","2014","53","10","5073","5079","10.1021/ic500116f","","","0.71073","MoKα","","0.0482","0.0439","","","0.0992","0.1012","","","","","","1.152","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338346","21.13","0.002","19.102","0.002","21.423","0.002","90","","92.246","0.002","90","","8640.2","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Ge2 N4 O1.5 Te2 -","- C32 H50 Ge2 N4 O1.5 Te2 -","- C256 H400 Ge16 N32 O12 Te16 -","8","2","","Siwatch, Rahul Kumar; Yadav, Dhirendra; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Are ligand-stabilized carboxylic Acid derivatives with ge═te bonds isolable?","Inorganic chemistry","2014","53","10","5073","5079","10.1021/ic500116f","","","0.71073","MoKα","","0.0749","0.059","","","0.1527","0.159","","","","","","1.051","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338347","15.702","0.002","11.6629","0.0015","27.868","0.004","90","","92.558","0.002","90","","5098.4","1.2","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H59 Cl4 F6 N4 O7 Rh S -","- C43 H59 Cl4 F6 N4 O7 Rh S -","- C172 H236 Cl16 F24 N16 O28 Rh4 S4 -","4","1","","Burgess, Samantha A.; Devarajan, Deepa; Bolaño, Tamara; Ess, Daniel H.; Gunnoe, T. Brent; Sabat, Michal; Myers, William H.","1,2-Addition of Dihydrogen across Rhodium(III)-OMe Bonds.","Inorganic chemistry","2014","53","10","5328","5340","10.1021/ic500636m","","","0.71073","MoKα","","0.0715","0.0656","","","0.161","0.1653","","","","","","1.149","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338348","12.0942","0.0004","19.064","0.0006","19.0652","0.0006","113.54","0.001","91.283","0.001","107.721","0.001","3786.2","0.2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H73 B F24 N4 O2 Rh -","- C73 H73 B F24 N4 O2 Rh -","- C146 H146 B2 F48 N8 O4 Rh2 -","2","1","","Burgess, Samantha A.; Devarajan, Deepa; Bolaño, Tamara; Ess, Daniel H.; Gunnoe, T. Brent; Sabat, Michal; Myers, William H.","1,2-Addition of Dihydrogen across Rhodium(III)-OMe Bonds.","Inorganic chemistry","2014","53","10","5328","5340","10.1021/ic500636m","","","0.71073","MoKα","","0.0535","0.0516","","","0.1385","0.1401","","","","","","0.979","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338363","14.8563","0.0001","23.7771","0.0002","31.1135","0.0003","90","","90","","90","","10990.5","0.16","123","2","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C65 H0 N4 O40 Si V2 W10 -","- C65 N4 O40 Si V2 W10 -","- C260 N16 O160 Si4 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Mizuno, Noritaka","Amphiprotic Properties of a Bis(μ-hydroxo)divanadium(IV)-Substituted γ-Keggin-Type Silicodecatungstate Containing Two Different Kinds of Hydroxyl Moieties.","Inorganic chemistry","2014","53","10","5341","5347","10.1021/ic500642v","","x-ray","0.71069","MoKα","","","0.0511","","","","0.1317","","","","","","1.052","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338364","24.6843","0.0004","25.0863","0.0005","17.2103","0.0003","90","","90","","90","","10657.3","0.3","123","2","123","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C66 H0 N4 O40 Si V2 W10 -","- C66 N4 O40 Si V2 W10 -","- C264 N16 O160 Si4 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Mizuno, Noritaka","Amphiprotic Properties of a Bis(μ-hydroxo)divanadium(IV)-Substituted γ-Keggin-Type Silicodecatungstate Containing Two Different Kinds of Hydroxyl Moieties.","Inorganic chemistry","2014","53","10","5341","5347","10.1021/ic500642v","","x-ray","0.71069","MoKα","","","0.0825","","","","0.2354","","","","","","1.053","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338365","24.6629","0.0004","25.0205","0.0006","17.1871","0.0004","90","","90","","90","","10605.8","0.4","153","2","153","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C67 H0 N4 O40 Si V2 W10 -","- C67 N4 O40 Si V2 W10 -","- C268 N16 O160 Si4 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Mizuno, Noritaka","Amphiprotic Properties of a Bis(μ-hydroxo)divanadium(IV)-Substituted γ-Keggin-Type Silicodecatungstate Containing Two Different Kinds of Hydroxyl Moieties.","Inorganic chemistry","2014","53","10","5341","5347","10.1021/ic500642v","","x-ray","0.71069","MoKα","","","0.0925","","","","0.259","","","","","","1.084","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338366","14.8389","0.0001","24.4643","0.0002","31.198","0.0002","90","","90","","90","","11325.6","0.14","153","2","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C65 N4 O41 Si V2 W10 -","- C65 N4 O41 Si V2 W10 -","- C260 N16 O164 Si4 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Mizuno, Noritaka","Amphiprotic Properties of a Bis(μ-hydroxo)divanadium(IV)-Substituted γ-Keggin-Type Silicodecatungstate Containing Two Different Kinds of Hydroxyl Moieties.","Inorganic chemistry","2014","53","10","5341","5347","10.1021/ic500642v","","x-ray","0.71069","MoKα","","","0.0445","","","","0.1168","","","","","","1.083","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338367","14.5951","0.0002","18.049","0.0004","39.4695","0.0008","90","","90","","90","","10397.3","0.3","153","2","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C69 N5 O40 Si V2 W10 -","- C69 N5 O40 Si V2 W10 -","- C276 N20 O160 Si4 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Mizuno, Noritaka","Amphiprotic Properties of a Bis(μ-hydroxo)divanadium(IV)-Substituted γ-Keggin-Type Silicodecatungstate Containing Two Different Kinds of Hydroxyl Moieties.","Inorganic chemistry","2014","53","10","5341","5347","10.1021/ic500642v","","x-ray","0.71069","MoKα","","","0.0806","","","","0.2117","","","","","","1.105","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338368","29.5573","0.0006","15.5841","0.0003","29.7037","0.0007","90","","109.032","0.001","90","","12934.3","0.5","123","2","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 N5 O40 Si V2 W10 -","- C80 N5 O40 Si V2 W10 -","- C320 N20 O160 Si4 V8 W40 -","4","2","","Uehara, Kazuhiro; Miyachi, Takuya; Mizuno, Noritaka","Amphiprotic Properties of a Bis(μ-hydroxo)divanadium(IV)-Substituted γ-Keggin-Type Silicodecatungstate Containing Two Different Kinds of Hydroxyl Moieties.","Inorganic chemistry","2014","53","10","5341","5347","10.1021/ic500642v","","x-ray","0.71069","MoKα","","","0.0874","","","","0.1788","","","","","","1.066","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338369","13.2315","0.0007","13.3489","0.0008","14.9605","0.0008","94.063","0.005","92.48","0.005","111.912","0.006","2438.4","0.3","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H39 La N24 -","- C48 H39 La N24 -","- C96 H78 La2 N48 -","2","1","","Shavaleev, Nail M.; Eliseeva, Svetlana V.; Scopelliti, Rosario; Bünzli, Jean-Claude G","Tridentate benzimidazole-pyridine-tetrazolates as sensitizers of europium luminescence.","Inorganic chemistry","2014","53","10","5171","5178","10.1021/ic500267b","","","0.71073","MoKα","","0.0416","0.0328","","","0.0801","0.0822","","","","","","1.045","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338370","11.6487","0.0008","18.3199","0.0012","21.8276","0.0013","95.485","0.005","92.478","0.005","95.996","0.006","4604.7","0.5","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H43.5 Eu N21 O2.25 -","- C46.5 H43.5 Eu N21 O2.25 -","- C186 H174 Eu4 N84 O9 -","4","2","","Shavaleev, Nail M.; Eliseeva, Svetlana V.; Scopelliti, Rosario; Bünzli, Jean-Claude G","Tridentate benzimidazole-pyridine-tetrazolates as sensitizers of europium luminescence.","Inorganic chemistry","2014","53","10","5171","5178","10.1021/ic500267b","","","0.71073","MoKα","","0.1804","0.0883","","","0.1413","0.1662","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338371","14.9694","0.001","19.7485","0.0014","29.977","0.002","90","","90","","90","","8861.9","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H60 F Ga N2 O2 -","- C50 H60 F Ga N2 O2 -","- C400 H480 F8 Ga8 N16 O16 -","8","1","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Chudakova, Valentina A.; Bazyakina, Natalia L.; Piskunov, Alexander V.; Demeshko, Serhiy V.; Fukin, Georgy K.","Digallane with redox-active diimine ligand: dualism of electron-transfer reactions.","Inorganic chemistry","2014","53","10","5159","5170","10.1021/ic500259k","","","0.71073","MoKα","","0.0857","0.0445","","","0.0902","0.1004","","","","","","0.992","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338372","24.1618","0.0003","24.3348","0.0003","14.65391","0.00018","90","","90","","90","","8616.1","0.18","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C106 H116 Ga2 N4 O2 -","- C106 H116 Ga2 N4 O2 -","- C424 H464 Ga8 N16 O8 -","4","0.5","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Chudakova, Valentina A.; Bazyakina, Natalia L.; Piskunov, Alexander V.; Demeshko, Serhiy V.; Fukin, Georgy K.","Digallane with redox-active diimine ligand: dualism of electron-transfer reactions.","Inorganic chemistry","2014","53","10","5159","5170","10.1021/ic500259k","","","0.71073","MoKα","","0.0737","0.0418","","","0.0825","0.0898","","","","","","1.012","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338373","14.6726","0.0005","10.2442","0.0003","18.9211","0.0006","90","","92.961","0.003","90","","2840.22","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N2 -","- C36 H40 N2 -","- C144 H160 N8 -","4","1","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Chudakova, Valentina A.; Bazyakina, Natalia L.; Piskunov, Alexander V.; Demeshko, Serhiy V.; Fukin, Georgy K.","Digallane with redox-active diimine ligand: dualism of electron-transfer reactions.","Inorganic chemistry","2014","53","10","5159","5170","10.1021/ic500259k","","","0.71073","MoKα","","0.052","0.0425","","","0.105","0.1097","","","","","","1.043","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338374","10.7776","0.0006","12.904","0.0007","14.3443","0.0008","77.343","0.001","70.429","0.001","66.621","0.001","1716.76","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H90 Ga2 I2 N4 O2 -","- C76 H90 Ga2 I2 N4 O2 -","- C76 H90 Ga2 I2 N4 O2 -","1","0.5","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Chudakova, Valentina A.; Bazyakina, Natalia L.; Piskunov, Alexander V.; Demeshko, Serhiy V.; Fukin, Georgy K.","Digallane with redox-active diimine ligand: dualism of electron-transfer reactions.","Inorganic chemistry","2014","53","10","5159","5170","10.1021/ic500259k","","","0.71073","MoKα","","0.0508","0.0424","","","0.1091","0.1143","","","","","","1.023","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338375","12.2025","0.0004","19.499","0.0007","17.634","0.0006","90","","90.717","0.001","90","","4195.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H53 Ga I N3 -","- C48 H53 Ga I N3 -","- C192 H212 Ga4 I4 N12 -","4","1","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Chudakova, Valentina A.; Bazyakina, Natalia L.; Piskunov, Alexander V.; Demeshko, Serhiy V.; Fukin, Georgy K.","Digallane with redox-active diimine ligand: dualism of electron-transfer reactions.","Inorganic chemistry","2014","53","10","5159","5170","10.1021/ic500259k","","","0.71073","MoKα","","0.0447","0.0337","","","0.081","0.0854","","","","","","1.065","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338376","26.9451","0.0008","20.7134","0.0006","21.8637","0.0006","90","","124.469","0.001","90","","10060.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H68 Ga N2 O2 -","- C57 H68 Ga N2 O2 -","- C456 H544 Ga8 N16 O16 -","8","1","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Chudakova, Valentina A.; Bazyakina, Natalia L.; Piskunov, Alexander V.; Demeshko, Serhiy V.; Fukin, Georgy K.","Digallane with redox-active diimine ligand: dualism of electron-transfer reactions.","Inorganic chemistry","2014","53","10","5159","5170","10.1021/ic500259k","","","0.71073","MoKα","","0.0654","0.0487","","","0.1299","0.14","","","","","","1.051","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338377","12.8321","0.0009","26.0947","0.0017","23.6182","0.0016","90","","105.682","0.002","90","","7614.2","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H104 Ag B F4 N4 O3 -","- C84 H104 Ag B F4 N4 O3 -","- C336 H416 Ag4 B4 F16 N16 O12 -","4","1","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Chudakova, Valentina A.; Bazyakina, Natalia L.; Piskunov, Alexander V.; Demeshko, Serhiy V.; Fukin, Georgy K.","Digallane with redox-active diimine ligand: dualism of electron-transfer reactions.","Inorganic chemistry","2014","53","10","5159","5170","10.1021/ic500259k","","","0.71073","MoKα","","0.151","0.0695","","","0.1369","0.1569","","","","","","1","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338378","5.3992","0.0002","11.1408","0.0006","13.6811","0.0008","90.885","0.005","94.25","0.004","91.825","0.004","820.13","0.07","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Li2 N2 O6 -","- C16 H12 Li2 N2 O6 -","- C32 H24 Li4 N4 O12 -","2","1","","Abrahams, Brendan F.; Dharma, A. David; Grannas, Martin J.; Hudson, Timothy A.; Maynard-Casely, Helen E; Oliver, Graham R.; Robson, Richard; White, Keith F.","Isomeric Ionic Lithium Isonicotinate Three-Dimensional Networks and Single-Crystal-to-Single-Crystal Rearrangements Generating Microporous Materials.","Inorganic chemistry","2014","53","10","4956","4969","10.1021/ic403134c","","","1.54184","CuKα","","0.0855","0.0752","","","0.2146","0.2235","","","","","","1.092","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338379","10.8681","0.0002","9.8358","0.0003","14.6059","0.0003","90","","94.096","0.002","90","","1557.33","0.06","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Li4 N4 O9 -","- C30 H16 Li4 N4 O9 -","- C60 H32 Li8 N8 O18 -","2","0.5","","Abrahams, Brendan F.; Dharma, A. David; Grannas, Martin J.; Hudson, Timothy A.; Maynard-Casely, Helen E; Oliver, Graham R.; Robson, Richard; White, Keith F.","Isomeric Ionic Lithium Isonicotinate Three-Dimensional Networks and Single-Crystal-to-Single-Crystal Rearrangements Generating Microporous Materials.","Inorganic chemistry","2014","53","10","4956","4969","10.1021/ic403134c","","","1.54184","CuKα","","0.064","0.0568","","","0.1719","0.1782","","","","","","1.116","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338380","10.8093","0.0001","14.3476","0.0002","10.8243","0.0001","90","","103.559","0.001","90","","1631.93","0.03","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 Li4 N4 O10 -","- C30 H32 Li4 N4 O10 -","- C60 H64 Li8 N8 O20 -","2","1","","Abrahams, Brendan F.; Dharma, A. David; Grannas, Martin J.; Hudson, Timothy A.; Maynard-Casely, Helen E; Oliver, Graham R.; Robson, Richard; White, Keith F.","Isomeric Ionic Lithium Isonicotinate Three-Dimensional Networks and Single-Crystal-to-Single-Crystal Rearrangements Generating Microporous Materials.","Inorganic chemistry","2014","53","10","4956","4969","10.1021/ic403134c","","","1.54184","CuKα","","0.0324","0.0309","","","0.0863","0.0875","","","","","","0.765","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338381","5.3881","0.0008","14.1175","0.0019","11.4098","0.0018","90","","101.187","0.015","90","","851.4","0.2","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Li2 N2 O5 -","- C18 H20 Li2 N2 O5 -","- C36 H40 Li4 N4 O10 -","2","0.5","","Abrahams, Brendan F.; Dharma, A. David; Grannas, Martin J.; Hudson, Timothy A.; Maynard-Casely, Helen E; Oliver, Graham R.; Robson, Richard; White, Keith F.","Isomeric Ionic Lithium Isonicotinate Three-Dimensional Networks and Single-Crystal-to-Single-Crystal Rearrangements Generating Microporous Materials.","Inorganic chemistry","2014","53","10","4956","4969","10.1021/ic403134c","","","1.54184","CuKα","","0.1602","0.0902","","","0.2194","0.2736","","","","","","0.967","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338382","5.4241","0.0004","13.8293","0.0009","11.1181","0.0009","90","","102.79","0.009","90","","813.29","0.11","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Li2 N3 O4 -","- C17 H13 Li2 N3 O4 -","- C34 H26 Li4 N6 O8 -","2","0.5","","Abrahams, Brendan F.; Dharma, A. David; Grannas, Martin J.; Hudson, Timothy A.; Maynard-Casely, Helen E; Oliver, Graham R.; Robson, Richard; White, Keith F.","Isomeric Ionic Lithium Isonicotinate Three-Dimensional Networks and Single-Crystal-to-Single-Crystal Rearrangements Generating Microporous Materials.","Inorganic chemistry","2014","53","10","4956","4969","10.1021/ic403134c","","","1.54184","CuKα","","0.0718","0.0601","","","0.1737","0.1825","","","","","","1.063","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338383","5.4013","0.0008","17.644","0.002","17.825","0.003","89.391","0.012","85.708","0.013","86.268","0.011","1690.3","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Li4 N4 O10 -","- C32 H36 Li4 N4 O10 -","- C64 H72 Li8 N8 O20 -","2","1","","Abrahams, Brendan F.; Dharma, A. David; Grannas, Martin J.; Hudson, Timothy A.; Maynard-Casely, Helen E; Oliver, Graham R.; Robson, Richard; White, Keith F.","Isomeric Ionic Lithium Isonicotinate Three-Dimensional Networks and Single-Crystal-to-Single-Crystal Rearrangements Generating Microporous Materials.","Inorganic chemistry","2014","53","10","4956","4969","10.1021/ic403134c","","","1.54184","CuKα","","0.1268","0.0438","","","0.0765","0.0922","","","","","","0.726","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338384","10.2402","0.0005","9.5023","0.0004","15.2912","0.0006","90","","98.328","0.004","90","","1472.23","0.11","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Li2 N2 O5 -","- C13 H12 Li2 N2 O5 -","- C52 H48 Li8 N8 O20 -","4","1","","Abrahams, Brendan F.; Dharma, A. David; Grannas, Martin J.; Hudson, Timothy A.; Maynard-Casely, Helen E; Oliver, Graham R.; Robson, Richard; White, Keith F.","Isomeric Ionic Lithium Isonicotinate Three-Dimensional Networks and Single-Crystal-to-Single-Crystal Rearrangements Generating Microporous Materials.","Inorganic chemistry","2014","53","10","4956","4969","10.1021/ic403134c","","","1.54184","CuKα","","0.1308","0.0952","","","0.2656","0.2727","","","","","","1.274","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338385","10.4175","0.0001","9.5922","0.0001","15.2877","0.0002","90","","97.479","0.001","90","","1514.65","0.03","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Li2 N2 O5 -","- C14 H14 Li2 N2 O5 -","- C56 H56 Li8 N8 O20 -","4","1","","Abrahams, Brendan F.; Dharma, A. David; Grannas, Martin J.; Hudson, Timothy A.; Maynard-Casely, Helen E; Oliver, Graham R.; Robson, Richard; White, Keith F.","Isomeric Ionic Lithium Isonicotinate Three-Dimensional Networks and Single-Crystal-to-Single-Crystal Rearrangements Generating Microporous Materials.","Inorganic chemistry","2014","53","10","4956","4969","10.1021/ic403134c","","","1.54184","CuKα","","0.0395","0.0379","","","0.097","0.0982","","","","","","1.051","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338386","10.68","0.002","13.732","0.002","4.9114","0.001","90","","90","","90","","720.3","0.2","130","2","130","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H4 Li N O2 -","- C6 H4 Li N O2 -","- C24 H16 Li4 N4 O8 -","4","1","","Abrahams, Brendan F.; Dharma, A. David; Grannas, Martin J.; Hudson, Timothy A.; Maynard-Casely, Helen E; Oliver, Graham R.; Robson, Richard; White, Keith F.","Isomeric Ionic Lithium Isonicotinate Three-Dimensional Networks and Single-Crystal-to-Single-Crystal Rearrangements Generating Microporous Materials.","Inorganic chemistry","2014","53","10","4956","4969","10.1021/ic403134c","","","1.54184","CuKα","","0.0648","0.0628","","","0.1726","0.1748","","","","","","1.089","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338387","5.2038","0.0014","14.516","0.007","10.295","0.005","90","","96.14","0.04","90","","773.2","0.6","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Li4 N4 O8 S2 -","- C25 H16 Li4 N4 O8 S2 -","- C25 H16 Li4 N4 O8 S2 -","1","0.25","","Abrahams, Brendan F.; Dharma, A. David; Grannas, Martin J.; Hudson, Timothy A.; Maynard-Casely, Helen E; Oliver, Graham R.; Robson, Richard; White, Keith F.","Isomeric Ionic Lithium Isonicotinate Three-Dimensional Networks and Single-Crystal-to-Single-Crystal Rearrangements Generating Microporous Materials.","Inorganic chemistry","2014","53","10","4956","4969","10.1021/ic403134c","","","1.541","CuKα","","0.3314","0.2788","","","0.5817","0.6205","","","","","","1.743","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338388","5.212","0.0001","18.8836","0.0005","11.8624","0.0003","90","","101.984","0.003","90","","1142.07","0.05","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Li2 N2 O4 -","- C12 H8 Li2 N2 O4 -","- C48 H32 Li8 N8 O16 -","4","1","","Abrahams, Brendan F.; Dharma, A. David; Grannas, Martin J.; Hudson, Timothy A.; Maynard-Casely, Helen E; Oliver, Graham R.; Robson, Richard; White, Keith F.","Isomeric Ionic Lithium Isonicotinate Three-Dimensional Networks and Single-Crystal-to-Single-Crystal Rearrangements Generating Microporous Materials.","Inorganic chemistry","2014","53","10","4956","4969","10.1021/ic403134c","","","1.54184","CuKα","","0.0413","0.0334","","","0.0892","0.0931","","","","","","1.063","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338389","7.1563","0.0008","18.8826","0.0012","6.2227","0.0006","90","","115.463","0.013","90","","759.19","0.15","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H8 Li N O4 -","- C6 H8 Li N O4 -","- C24 H32 Li4 N4 O16 -","4","1","","Abrahams, Brendan F.; Dharma, A. David; Grannas, Martin J.; Hudson, Timothy A.; Maynard-Casely, Helen E; Oliver, Graham R.; Robson, Richard; White, Keith F.","Isomeric Ionic Lithium Isonicotinate Three-Dimensional Networks and Single-Crystal-to-Single-Crystal Rearrangements Generating Microporous Materials.","Inorganic chemistry","2014","53","10","4956","4969","10.1021/ic403134c","","","1.54184","CuKα","","0.0374","0.0343","","","0.0904","0.1057","","","","","","1.126","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338390","5.95124","0.00011","5.89412","0.00011","29.2011","0.0005","90","","90","","90","","1024.3","0.03","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Ba Ge4 Rh2 S6 -","- Ba Ge4 Rh2 S6 -","- Ba4 Ge16 Rh8 S24 -","4","0.5","","Lei, Hechang; Yamaura, Jun-Ichi; Guo, Jiangang; Qi, Yanpeng; Toda, Yoshitake; Hosono, Hideo","Layered Compounds BaM2Ge4Ch6 (M = Rh, Ir and Ch = S, Se) with Pyrite-Type Building Blocks and Ge-Ch Heteromolecule-Like Anions.","Inorganic chemistry","2014","53","11","5684","5691","10.1021/ic500437k","","","0.71075","MoKα","","0.037","0.024","","","0.0446","0.0494","","","","","","1.034","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338391","12.2668","0.0002","12.9694","0.0002","25.5151","0.0004","90","","90","","90","","4059.27","0.11","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H61 Cl Fe N3 O2 -","- C40 H61 Cl Fe N3 O2 -","- C160 H244 Cl4 Fe4 N12 O8 -","4","1","","Chiang, Linus; Savard, Didier; Shimazaki, Yuichi; Thomas, Fabrice; Storr, Tim","Fe(III) Bipyrrolidine Phenoxide Complexes and Their Oxidized Analogues.","Inorganic chemistry","2014","53","11","5810","5819","10.1021/ic500663x","","","0.71073","MoKα","","0.0536","0.0427","","0.0481","0.0421","0.0416","","","","","","1.9384","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338392","27.55","0.02","27.55","0.02","12.754","0.011","90","","90","","120","","8383","11","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C38 H58 Cl Fe N2 O2 -","- C38 H58 Cl Fe N2 O2 -","- C342 H522 Cl9 Fe9 N18 O18 -","9","1","","Chiang, Linus; Savard, Didier; Shimazaki, Yuichi; Thomas, Fabrice; Storr, Tim","Fe(III) Bipyrrolidine Phenoxide Complexes and Their Oxidized Analogues.","Inorganic chemistry","2014","53","11","5810","5819","10.1021/ic500663x","","","0.71073","MoKα","","0.05","0.0437","","","0.1084","0.1127","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338393","14.399","0.002","24.101","0.004","26.777","0.004","90","","90","","90","","9292","2","90","0.1","90","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cl4 Fe N3 O -","- C30 H44 Cl4 Fe N3 O -","- C360 H528 Cl48 Fe12 N36 O12 -","12","3","","Chiang, Linus; Savard, Didier; Shimazaki, Yuichi; Thomas, Fabrice; Storr, Tim","Fe(III) Bipyrrolidine Phenoxide Complexes and Their Oxidized Analogues.","Inorganic chemistry","2014","53","11","5810","5819","10.1021/ic500663x","","","0.71073","MoKα","","0.1148","0.0514","","","0.1031","0.1269","","","","","","1.011","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338394","9.0064","0.0009","14.6395","0.0015","24.409","0.002","90","","90","","90","","3218.3","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cl4 Fe N3 O -","- C30 H44 Cl4 Fe N3 O -","- C120 H176 Cl16 Fe4 N12 O4 -","4","1","","Chiang, Linus; Savard, Didier; Shimazaki, Yuichi; Thomas, Fabrice; Storr, Tim","Fe(III) Bipyrrolidine Phenoxide Complexes and Their Oxidized Analogues.","Inorganic chemistry","2014","53","11","5810","5819","10.1021/ic500663x","","","0.71073","MoKα","","0.0361","0.0304","","","0.0736","0.0767","","","","","","1.055","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338395","24.5357","0.0013","17.6654","0.0006","13.0119","0.0007","90","","116.879","0.007","90","","5030.5","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 Ag2 N22 O20 -","- C40 H50 Ag2 N22 O20 -","- C160 H200 Ag8 N88 O80 -","4","0.5","","Li, Hong-Fang; Lü, Jian; Lin, Jing-Xiang; Cao, Rong","Monodispersed Ag Nanoparticles as Catalyst: Preparation Based on Crystalline Supramolecular Hybrid of Decamethylcucurbit[5]uril and Silver Ions.","Inorganic chemistry","2014","53","11","5692","5697","10.1021/ic500464v","","","0.71073","MoKα","","0.1105","0.0757","","","0.2398","0.2593","","","","","","1.027","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338396","11.8952","0.0009","12.1727","0.0009","17.5867","0.0013","90","","90","","90","","2546.5","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","11238a","","","- C28 H35 N3 O -","- C28 H35 N3 O -","- C112 H140 N12 O4 -","4","0.5","","Boyce, David W.; Salmon, Debra J.; Tolman, William B.","Linkage Isomerism in Transition-Metal Complexes of Mixed (Arylcarboxamido)(arylimino)pyridine Ligands.","Inorganic chemistry","2014","53","11","5788","5796","10.1021/ic500638z","","","0.71073","MoKα","","0.0931","0.0544","","","0.149","0.1754","","","","","","1.022","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338397","8.8885","0.0014","13.849","0.002","17.692","0.003","90","","90","","90","","2177.8","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","12134","","","- C24 H24 Cl Cu N3 O -","- C24 H24 Cl Cu N3 O -","- C96 H96 Cl4 Cu4 N12 O4 -","4","1","","Boyce, David W.; Salmon, Debra J.; Tolman, William B.","Linkage Isomerism in Transition-Metal Complexes of Mixed (Arylcarboxamido)(arylimino)pyridine Ligands.","Inorganic chemistry","2014","53","11","5788","5796","10.1021/ic500638z","","","0.71073","MoKα","","0.0633","0.0405","","","0.079","0.0875","","","","","","1.025","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338398","29.888","0.003","13.4602","0.0015","16.7818","0.0019","90","","90","","90","","6751.3","1.3","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","iPr2LCuCl","","","- C32 H40 Cl Cu N3 O -","- C32 H40 Cl Cu N3 O -","- C256 H320 Cl8 Cu8 N24 O8 -","8","2","","Boyce, David W.; Salmon, Debra J.; Tolman, William B.","Linkage Isomerism in Transition-Metal Complexes of Mixed (Arylcarboxamido)(arylimino)pyridine Ligands.","Inorganic chemistry","2014","53","11","5788","5796","10.1021/ic500638z","","","0.71073","MoKα","","0.0734","0.0468","","","0.0923","0.0992","","","","","","1.009","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338399","9.662","0.0012","12.0158","0.0016","14.1155","0.0018","89.148","0.002","87.476","0.002","67.684","0.001","1514.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","11236","","","- C29 H34 Cl3 Cu N3 O -","- C29 H34 Cl3 Cu N3 O -","- C58 H68 Cl6 Cu2 N6 O2 -","2","1","","Boyce, David W.; Salmon, Debra J.; Tolman, William B.","Linkage Isomerism in Transition-Metal Complexes of Mixed (Arylcarboxamido)(arylimino)pyridine Ligands.","Inorganic chemistry","2014","53","11","5788","5796","10.1021/ic500638z","","","0.71073","MoKα","","0.0815","0.0521","","","0.1288","0.1448","","","","","","1.022","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338400","10.378","0.0009","13.5976","0.0012","14.198","0.0013","109.06","0.001","90.716","0.001","98.743","0.001","1867.6","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","11228a","","","- C36 H47 Cl4 Cu N3 O3 -","- C36 H47 Cl4 Cu N3 O3 -","- C72 H94 Cl8 Cu2 N6 O6 -","2","1","","Boyce, David W.; Salmon, Debra J.; Tolman, William B.","Linkage Isomerism in Transition-Metal Complexes of Mixed (Arylcarboxamido)(arylimino)pyridine Ligands.","Inorganic chemistry","2014","53","11","5788","5796","10.1021/ic500638z","","","0.71073","MoKα","","0.0842","0.0521","","","0.1354","0.1532","","","","","","1.051","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338401","16.9991","0.0008","13.5041","0.0007","16.72","0.0008","90","","109.239","0.001","90","","3623.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","12022s","","","- C31 H37 Cl2 Cu N3 O3 -","- C31 H37 Cl2 Cu N3 O3 -","- C124 H148 Cl8 Cu4 N12 O12 -","4","1","","Boyce, David W.; Salmon, Debra J.; Tolman, William B.","Linkage Isomerism in Transition-Metal Complexes of Mixed (Arylcarboxamido)(arylimino)pyridine Ligands.","Inorganic chemistry","2014","53","11","5788","5796","10.1021/ic500638z","","","0.71073","MoKα","","0.0616","0.0478","","","0.1453","0.154","","","","","","1.15","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338402","12.9023","0.0006","19.3103","0.0009","17.8355","0.0009","90","","93.796","0.001","90","","4433.9","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","12245b","","","- C35 H46 Cl2 Cu F12 N4 O Sb2 -","- C35 H46 Cl2 Cu F12 N4 O Sb2 -","- C140 H184 Cl8 Cu4 F48 N16 O4 Sb8 -","4","1","","Boyce, David W.; Salmon, Debra J.; Tolman, William B.","Linkage Isomerism in Transition-Metal Complexes of Mixed (Arylcarboxamido)(arylimino)pyridine Ligands.","Inorganic chemistry","2014","53","11","5788","5796","10.1021/ic500638z","","","0.71073","MoKα","","0.0349","0.0282","","","0.0707","0.0759","","","","","","1.041","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338403","13.9719","0.0007","14.6765","0.0007","16.1109","0.0008","97.777","0.001","103.915","0.001","114.57","0.001","2810.9","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","12171e","","","- C45 H69 Cl2 Cu F12 N3 O6 Sb2 -","- C45 H69 Cl2 Cu F12 N3 O6 Sb2 -","- C90 H138 Cl4 Cu2 F24 N6 O12 Sb4 -","2","1","","Boyce, David W.; Salmon, Debra J.; Tolman, William B.","Linkage Isomerism in Transition-Metal Complexes of Mixed (Arylcarboxamido)(arylimino)pyridine Ligands.","Inorganic chemistry","2014","53","11","5788","5796","10.1021/ic500638z","","","0.71073","MoKα","","0.0499","0.0389","","","0.1003","0.1078","","","","","","1.047","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338404","14.634","0.001","15.6687","0.0011","16.1572","0.0011","90","","103.631","0.001","90","","3600.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","12217a","","","- C34 H48 Cl2 Co N4 O3 -","- C34 H48 Cl2 Co N4 O3 -","- C136 H192 Cl8 Co4 N16 O12 -","4","1","","Boyce, David W.; Salmon, Debra J.; Tolman, William B.","Linkage Isomerism in Transition-Metal Complexes of Mixed (Arylcarboxamido)(arylimino)pyridine Ligands.","Inorganic chemistry","2014","53","11","5788","5796","10.1021/ic500638z","","","0.71073","MoKα","","0.0696","0.0447","","","0.114","0.1283","","","","","","1.026","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338405","25.876","0.005","8.9106","0.0016","35.414","0.006","90","","106.93","0.002","90","","7812","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","12152","","","- C36 H45 Cl2 N7 O Zn -","- C36 H45 Cl2 N7 O Zn -","- C288 H360 Cl16 N56 O8 Zn8 -","8","1","","Boyce, David W.; Salmon, Debra J.; Tolman, William B.","Linkage Isomerism in Transition-Metal Complexes of Mixed (Arylcarboxamido)(arylimino)pyridine Ligands.","Inorganic chemistry","2014","53","11","5788","5796","10.1021/ic500638z","","","0.71073","MoKα","","0.0685","0.0462","","","0.1112","0.1199","","","","","","1.031","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338406","31.2959","0.0011","4.5131","0.0001","14.7136","0.0005","90","","90","","90","","2078.17","0.11","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H22 Cl2 N4 O2 -","- C21 H22 Cl2 N4 O2 -","- C84 H88 Cl8 N16 O8 -","4","1","","Ghisolfi, Alessio; Waldvogel, Audrey; Routaboul, Lucie; Braunstein, Pierre","Reversible switching of the coordination modes of a pyridine-functionalized quinonoid zwitterion; its di- and tetranuclear palladium complexes.","Inorganic chemistry","2014","53","11","5515","5526","10.1021/ic500194y","","","0.71073","MoKα","","0.1211","0.0746","","","0.1683","0.202","","","","","","1.156","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338407","31.632","0.002","14.6948","0.0009","22.528","0.0009","90","","99.08","0.004","90","","10340.4","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H44 Cl2 N6 O2 Pd2 -","- C38 H44 Cl2 N6 O2 Pd2 -","- C304 H352 Cl16 N48 O16 Pd16 -","8","1","","Ghisolfi, Alessio; Waldvogel, Audrey; Routaboul, Lucie; Braunstein, Pierre","Reversible switching of the coordination modes of a pyridine-functionalized quinonoid zwitterion; its di- and tetranuclear palladium complexes.","Inorganic chemistry","2014","53","11","5515","5526","10.1021/ic500194y","","","0.71073","MoKα","","0.1311","0.0925","","","0.2364","0.2576","","","","","","1.043","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338408","19.9313","0.0007","13.0926","0.0005","26.5148","0.0009","90","","90","","90","","6919.1","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H42 N6 O2 Pd2 -","- C38 H42 N6 O2 Pd2 -","- C304 H336 N48 O16 Pd16 -","8","1","","Ghisolfi, Alessio; Waldvogel, Audrey; Routaboul, Lucie; Braunstein, Pierre","Reversible switching of the coordination modes of a pyridine-functionalized quinonoid zwitterion; its di- and tetranuclear palladium complexes.","Inorganic chemistry","2014","53","11","5515","5526","10.1021/ic500194y","","","0.71073","MoKα","","0.111","0.0458","","","0.0813","0.0964","","","","","","0.945","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338409","31.4152","0.0015","31.4152","0.0015","29.3524","0.0014","90","","90","","90","","28968","2","173","2","173","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C60 H60 F6 N10 O10 Pd4 S2 -","- C60 H60 F6 N10 O10 Pd4 S2 -","- C960 H960 F96 N160 O160 Pd64 S32 -","16","0.5","","Ghisolfi, Alessio; Waldvogel, Audrey; Routaboul, Lucie; Braunstein, Pierre","Reversible switching of the coordination modes of a pyridine-functionalized quinonoid zwitterion; its di- and tetranuclear palladium complexes.","Inorganic chemistry","2014","53","11","5515","5526","10.1021/ic500194y","","","0.71073","MoKα","","0.118","0.078","","","0.1802","0.2013","","","","","","1.089","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4338410","13.7587","0.0008","16.4948","0.001","16.8929","0.001","67.263","0.001","72.179","0.001","67.758","0.001","3215","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H68 Cl3 F6 N8 O2 P Pd4 -","- C57 H68 Cl3 F6 N8 O2 P Pd4 -","- C114 H136 Cl6 F12 N16 O4 P2 Pd8 -","2","1","","Ghisolfi, Alessio; Waldvogel, Audrey; Routaboul, Lucie; Braunstein, Pierre","Reversible switching of the coordination modes of a pyridine-functionalized quinonoid zwitterion; its di- and tetranuclear palladium complexes.","Inorganic chemistry","2014","53","11","5515","5526","10.1021/ic500194y","","","0.71073","MoKα","","0.1356","0.0784","","","0.2213","0.246","","","","","","1.059","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338412","7.3537","0.0004","7.3537","0.0004","38.8642","0.0018","90","","90","","90","","2101.66","0.19","90","","90","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C14 H32 Cl2 Co N4 O7 -","- C14 H32 Cl2 Co N4 O7 -","- C56 H128 Cl8 Co4 N16 O28 -","4","0.5","","Olatunde, Abiola O.; Cox, Jordan M.; Daddario, Michael D.; Spernyak, Joseph A.; Benedict, Jason B.; Morrow, Janet R.","Seven-Coordinate Co(II), Fe(II) and Six-Coordinate Ni(II) Amide-Appended Macrocyclic Complexes as ParaCEST Agents in Biological Media.","Inorganic chemistry","2014","53","16","8311","8321","10.1021/ic5006083","","x-ray","0.71073","MoKα","","0.0302","0.0277","","","0.0639","0.0648","","","","","","1.062","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338413","14.7589","0.0006","9.6358","0.0004","18.4079","0.0008","90","","92.5153","0.001","90","","2615.34","0.19","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 F6 Fe N4 O11 S2 -","- C16 H28 F6 Fe N4 O11 S2 -","- C64 H112 F24 Fe4 N16 O44 S8 -","4","1","","Olatunde, Abiola O.; Cox, Jordan M.; Daddario, Michael D.; Spernyak, Joseph A.; Benedict, Jason B.; Morrow, Janet R.","Seven-Coordinate Co(II), Fe(II) and Six-Coordinate Ni(II) Amide-Appended Macrocyclic Complexes as ParaCEST Agents in Biological Media.","Inorganic chemistry","2014","53","16","8311","8321","10.1021/ic5006083","","x-ray","0.71073","MoKα","","0.048","0.0325","","","0.0704","0.0772","","","","","","1.013","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338414","11.6016","0.0006","23.6949","0.0011","20.8143","0.001","90","","95.401","0.0014","90","","5696.4","0.5","90","","90","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H30 F6 N4 Ni O12 S2 -","- C16 H30 F6 N4 Ni O12 S2 -","- C128 H240 F48 N32 Ni8 O96 S16 -","8","1","","Olatunde, Abiola O.; Cox, Jordan M.; Daddario, Michael D.; Spernyak, Joseph A.; Benedict, Jason B.; Morrow, Janet R.","Seven-Coordinate Co(II), Fe(II) and Six-Coordinate Ni(II) Amide-Appended Macrocyclic Complexes as ParaCEST Agents in Biological Media.","Inorganic chemistry","2014","53","16","8311","8321","10.1021/ic5006083","","x-ray","0.71073","MoKα","","0.0568","0.0371","","","0.0884","0.0976","","","","","","1.02","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338415","10.1966","0.0002","5.83833","0.00012","10.16593","0.0002","90","","108.683","0.0006","90","","573.3","0.02","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- O6 Pb2 Sb Y -","- O6 Pb2 Sb Y -","- O24 Pb8 Sb4 Y4 -","4","0.5","","Larrégola, Sebastián A; Alonso, José A; de la Peña-O'Shea, Victor A; Sheptyakov, Denis; Pomjakushin, Vladimir; Fernandez-Díaz, María T; Pedregosa, José C","Localization and Impact of Pb-Non-Bonded Electronic Pair on the Crystal and Electronic Structure of Pb2YSbO6.","Inorganic chemistry","2014","53","11","5609","5618","10.1021/ic500278y","powder diffraction","","1.91","ConstantWavelengthNeutronDiffraction","","","","","","","","","5.7321","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338416","8.5703","0.0018","7.1374","0.0015","8.6043","0.0019","90","","107.09","0.003","90","","503.08","0.19","90","2","90","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","dibismuth iron diselenite oxo trichloride","","- Bi2 Cl3 Fe O7 Se2 -","- Bi2 Cl3 Fe O7 Se2 -","- Bi4 Cl6 Fe2 O14 Se4 -","2","0.5","","Berdonosov, Peter S.; Kuznetsova, Elena S.; Dolgikh, Valery A.; Sobolev, Alexei V.; Presniakov, Igor A.; Olenev, Andrei V.; Rahaman, Badiur; Saha-Dasgupta, Tanusri; Zakharov, Konstantin V.; Zvereva, Elena A.; Volkova, Olga S.; Vasiliev, Alexander N.","Crystal Structure, Physical Properties, and Electronic and Magnetic Structure of the Spin S = (5)/2 Zigzag Chain Compound Bi2Fe(SeO3)2OCl3.","Inorganic chemistry","2014","53","11","5830","5838","10.1021/ic500706f","","","0.71073","MoKα","","0.054","0.0381","","","0.0817","0.0889","","","","","","0.999","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338417","14.7557","0.0006","14.7557","0.0006","14.7557","0.0006","90","","90","","90","","3212.8","0.2","293","2","293","2","","","","","","","","3","F m -3","-F 2 2 3","202","","","","- Cs3 Cu20 Te13 -","- Cs3 Cu20 Te13 -","- Cs12 Cu80 Te52 -","4","0.0416667","","Huai, Wen-Juan; Shen, Jin-Ni; Lin, Hua; Chen, Ling; Wu, Li-Ming","Electron-Deficient Telluride Cs3Cu20Te13 with Sodalite-Type Network: Syntheses, Structures, and Physical Properties.","Inorganic chemistry","2014","53","11","5575","5580","10.1021/ic500291v","","","0.71073","MoKα","","0.0432","0.0424","","","0.1198","0.1208","","","","","","1.075","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338418","47.335","0.001","47.335","0.001","30.894","0.003","90","","90","","90","","69221","7","120","2","120","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","Hexadeca(2-(4-{[4-methyl-6-(1-methyl-1H-1,3-benzodiazol-2-yl)-2propyl-1H-1, 3-benzodiazol-1-yl]methyl}phenyl)benzoate)octacopper(II) tetracosahydrate","","- C528 H488 Cu8 N64 O56 -","- C528 H464 Cu8 N64 O56 -","- C2112 H1856 Cu32 N256 O224 -","4","0.25","","Islas, María S; Martínez Medina, Juan J; López Tévez, Libertad L; Rojo, Teófilo; Lezama, Luis; Griera Merino, Mercedes; Calleros, Laura; Cortes, María A; Rodriguez Puyol, Manuel; Echeverría, Gustavo A; Piro, Oscar E.; Ferrer, Evelina G.; Williams, Patricia A. M.","Antitumoral, Antihypertensive, Antimicrobial, and Antioxidant Effects of an Octanuclear Copper(II)-Telmisartan Complex with an Hydrophobic Nanometer Hole.","Inorganic chemistry","2014","53","11","5724","5737","10.1021/ic500483p","","","1.54184","CuKα","","0.2271","0.1833","","","0.4303","0.4757","","","","","","1.533","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338419","14.8224","0.0012","17.452","0.0015","28.926","0.002","88.889","0.004","82.758","0.003","80.613","0.003","7323.5","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H138 N16 O49 Tb8 -","- C116 H48 N16 O49 Tb8 -","- C232 H96 N32 O98 Tb16 -","2","1","","Alexandropoulos, Dimitris I.; Fournet, Adeline; Cunha-Silva, Luís; Mowson, Andrew M.; Bekiari, Vlasoula; Christou, George; Stamatatos, Theocharis C.","Fluorescent Naphthalene Diols as Bridging Ligands in Ln(III) Cluster Chemistry: Synthetic, Structural, Magnetic, and Photophysical Characterization of Ln(III)8 ""Christmas Stars"".","Inorganic chemistry","2014","53","11","5420","5422","10.1021/ic500806n","","","0.71073","MoKα","","0.0462","0.0392","","","0.0956","0.0992","","","","","","1.079","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338420","15.7021","0.0006","15.7021","0.0006","19.7468","0.0008","90","","90","","90","","4868.7","0.3","93","","93","","","","","","","","","7","I -4","I -4","82","","","","- C48 H132.1 B8 F32 N28 Ni4 O24.05 -","- C48 H108 B8 F32 N28 Ni4 O24.052 -","- C96 H216 B16 F64 N56 Ni8 O48.104 -","2","0.25","","Miyake, Ryosuke; Shionoya, Mitsuhiko","Concerted ligand exchange and the roles of counter anions in the reversible structural switching of crystalline Peptide metallo-macrocycles.","Inorganic chemistry","2014","53","11","5717","5723","10.1021/ic500478p","","","0.71073","MoKα","","0.0511","0.0428","","","0.1208","0.1276","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338421","15.8724","0.001","15.8724","0.001","19.8563","0.0013","90","","90","","90","","5002.5","0.6","273","","273","","","","","","","","","7","I -4","I -4","82","","","","- C48 H131.06 B8 F32 N28 Ni4 O23.53 -","- C48 H108 B8.002 F32.008 N28 Ni4 O23.532 -","- C96 H216 B16.004 F64.016 N56 Ni8 O47.064 -","2","0.25","","Miyake, Ryosuke; Shionoya, Mitsuhiko","Concerted ligand exchange and the roles of counter anions in the reversible structural switching of crystalline Peptide metallo-macrocycles.","Inorganic chemistry","2014","53","11","5717","5723","10.1021/ic500478p","","","0.71073","MoKα","","0.0524","0.0414","","","0.1119","0.1182","","","","","","1.026","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338422","15.8466","0.0005","15.8466","0.0005","19.7686","0.0013","90","","90","","90","","4964.2","0.4","293","","293","","","","","","","","","7","I -4","I -4","82","","","","- C48 H128.99 B8 F32 N28 Ni4 O22.49 -","- C48 H108 B8 F32 N28 Ni4 O22.488 -","- C96 H216 B16 F64 N56 Ni8 O44.976 -","2","0.25","","Miyake, Ryosuke; Shionoya, Mitsuhiko","Concerted ligand exchange and the roles of counter anions in the reversible structural switching of crystalline Peptide metallo-macrocycles.","Inorganic chemistry","2014","53","11","5717","5723","10.1021/ic500478p","","","0.71073","MoKα","","0.0613","0.0437","","","0.1096","0.1187","","","","","","0.996","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338423","15.7902","0.0006","15.7902","0.0006","19.7382","0.0015","90","","90","","90","","4921.3","0.5","313","","313","","","","","","","","","7","I -4","I -4","82","","","","- C48 H117.44 B8 F32 N28 Ni4 O16.72 -","- C48 H108 B7.998 F31.996 N28 Ni4 O16.728 -","- C96 H216 B15.996 F63.992 N56 Ni8 O33.456 -","2","0.25","","Miyake, Ryosuke; Shionoya, Mitsuhiko","Concerted ligand exchange and the roles of counter anions in the reversible structural switching of crystalline Peptide metallo-macrocycles.","Inorganic chemistry","2014","53","11","5717","5723","10.1021/ic500478p","","","0.71073","MoKα","","0.075","0.0472","","","0.1164","0.1302","","","","","","0.98","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338424","15.7242","0.0013","15.7242","0.0013","19.8292","0.0017","90","","90","","90","","4902.8","0.7","333","","333","","","","","","","","","7","I -4","I -4","82","","","","- C48 H110.02 B8 F32 N28 Ni4 O13.01 -","- C48 H108 B8 F32 N28 Ni4 O13.008 -","- C96 H216 B16 F64 N56 Ni8 O26.016 -","2","0.25","","Miyake, Ryosuke; Shionoya, Mitsuhiko","Concerted ligand exchange and the roles of counter anions in the reversible structural switching of crystalline Peptide metallo-macrocycles.","Inorganic chemistry","2014","53","11","5717","5723","10.1021/ic500478p","","","0.71073","MoKα","","0.1","0.0631","","","0.1556","0.1754","","","","","","1.001","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338425","15.7527","0.0006","15.7527","0.0006","19.7785","0.0015","90","","90","","90","","4908","0.5","313","","313","","","","","","","","","7","I -4","I -4","82","","","","- C48 H110.96 B8 F32 N28 Ni4 O13.48 -","- C48 H108 B8 F32 N28 Ni4 O13.472 -","- C96 H216 B16 F64 N56 Ni8 O26.944 -","2","0.25","","Miyake, Ryosuke; Shionoya, Mitsuhiko","Concerted ligand exchange and the roles of counter anions in the reversible structural switching of crystalline Peptide metallo-macrocycles.","Inorganic chemistry","2014","53","11","5717","5723","10.1021/ic500478p","","","0.71073","MoKα","","0.1084","0.0658","","","0.1673","0.1894","","","","","","0.998","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338426","15.8201","0.0006","15.8201","0.0006","19.8093","0.0014","90","","90","","90","","4957.8","0.4","293","","293","","","","","","","","","7","I -4","I -4","82","","","","- C48 H126.1 B8 F32 N28 Ni4 O21.05 -","- C48 H108 B7.998 F31.992 N28 Ni4 O21.002 -","- C96 H216 B15.996 F63.984 N56 Ni8 O42.004 -","2","0.25","","Miyake, Ryosuke; Shionoya, Mitsuhiko","Concerted ligand exchange and the roles of counter anions in the reversible structural switching of crystalline Peptide metallo-macrocycles.","Inorganic chemistry","2014","53","11","5717","5723","10.1021/ic500478p","","","0.71073","MoKα","","0.0691","0.0499","","","0.1283","0.1387","","","","","","0.994","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338427","12.5983","0.0009","13.494","0.0013","15.2415","0.0014","90","","90","","90","","2591.1","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Cl2 Cu2 N8 O12 -","- C14 H14 Cl2 Cu2 N8 O12 -","- C56 H56 Cl8 Cu8 N32 O48 -","4","1","","Castro, Isabel; Calatayud, M. Luisa; Barros, Wdeson P.; Carranza, José; Julve, Miguel; Lloret, Francesc; Marino, Nadia; De Munno, Giovanni","Ligand Effects on the Structure and Magnetic Properties of Alternating Copper(II) Chains with 2,2'-Bipyrimidine- and Polymethyl-Substituted Pyrazolates as Bridging Ligands.","Inorganic chemistry","2014","53","11","5759","5771","10.1021/ic500544n","","","0.71073","MoKα","","0.0423","0.0388","","","0.1166","0.1192","","","","","","1.052","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338428","26.3979","0.0018","27.717","0.003","15.3681","0.0018","90","","90","","90","","11244","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H22 Cl2 Cu2 N8 O11 -","- C16 H18 Cl2 Cu2 N8 O11 -","- C256 H288 Cl32 Cu32 N128 O176 -","16","1","","Castro, Isabel; Calatayud, M. Luisa; Barros, Wdeson P.; Carranza, José; Julve, Miguel; Lloret, Francesc; Marino, Nadia; De Munno, Giovanni","Ligand Effects on the Structure and Magnetic Properties of Alternating Copper(II) Chains with 2,2'-Bipyrimidine- and Polymethyl-Substituted Pyrazolates as Bridging Ligands.","Inorganic chemistry","2014","53","11","5759","5771","10.1021/ic500544n","","","0.71073","MoKα","","0.07","0.0595","","","0.1715","0.1819","","","","","","1.121","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338429","18.4099","0.0017","15.6527","0.0014","22.408","0.002","90","","90","","90","","6457.2","1","566","2","566","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H30 Cl2 Cu2 N10 O9 -","- C23 H30 Cl2 Cu2 N10 O9 -","- C184 H240 Cl16 Cu16 N80 O72 -","8","1","","Castro, Isabel; Calatayud, M. Luisa; Barros, Wdeson P.; Carranza, José; Julve, Miguel; Lloret, Francesc; Marino, Nadia; De Munno, Giovanni","Ligand Effects on the Structure and Magnetic Properties of Alternating Copper(II) Chains with 2,2'-Bipyrimidine- and Polymethyl-Substituted Pyrazolates as Bridging Ligands.","Inorganic chemistry","2014","53","11","5759","5771","10.1021/ic500544n","","","0.71073","MoKα","","0.0603","0.0436","","","0.1124","0.1233","","","","","","1.046","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338430","14.0488","0.0004","9.9929","0.0003","24.7991","0.0007","90","","93.193","0.002","90","","3476.1","0.17","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Mn N2 O4 -","- C36 H56 Mn N2 O4 -","- C144 H224 Mn4 N8 O16 -","4","1","","Dolai, Malay; Amjad, Asma; Debnath, Mainak; Tol, Johan van; Barco, Enrique Del; Ali, Mahammad","Water-Stable Manganese(IV) Complex of a N2O4-Donor Non-Schiff-Base Ligand: Synthesis, Structure, and Multifrequency High-Field Electron Paramagnetic Resonance Studies.","Inorganic chemistry","2014","53","11","5423","5428","10.1021/ic4030958","","","0.71073","MoKα","","0.0789","0.0493","","","0.1172","0.1306","","","","","","1.042","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338431","7.524","0.0015","9.32","0.0019","9.744","0.0019","89.01","0.03","71.16","0.03","74.82","0.03","622.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 Co2 O11 -","- C8 H4 Co2 O11 -","- C16 H8 Co4 O22 -","2","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Rodríguez-Carvajal, Juan; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure, and Magnetic Characterization of the Three-Dimensional Compound [Co2(cbut)(H2O)3]n (H4cbut = 1,2,3,4-Cyclobutanetetracarboxylic Acid).","Inorganic chemistry","2014","53","11","5674","5683","10.1021/ic500443t","","","0.7383","","","0.0304","0.03","","","0.0854","0.0871","","","","","","0.926","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338432","20.8313","0.001","21.4462","0.0011","22.3595","0.001","90","","90","","90","","9989.2","0.8","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49 H60 F Fe2 N4 P3 -","- C49 H60 F Fe2 N4 P3 -","- C392 H480 F8 Fe16 N32 P24 -","8","1","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Johnson, Bruce M.; Brozek, Carl K.; Krogman, Jeremy P.; Bezpalko, Mark W.; Berben, Louise A.; Keith, Jason M.; Foxman, Bruce M.; Thomas, Christine M.","One-electron oxidation chemistry and subsequent reactivity of diiron imido complexes.","Inorganic chemistry","2014","53","11","5429","5437","10.1021/ic403039x","","","0.71073","MoKα","","0.0605","0.0356","","0.0965","0.0801","0.0965","","","","","","0.9888","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338433","16.4778","0.001","13.4765","0.0008","25.2258","0.0015","90","","97.254","0.003","90","","5556.9","0.6","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H78 F Fe2 N4 P3 -","- C60 H78 F Fe2 N4 P3 -","- C240 H312 F4 Fe8 N16 P12 -","4","1","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Johnson, Bruce M.; Brozek, Carl K.; Krogman, Jeremy P.; Bezpalko, Mark W.; Berben, Louise A.; Keith, Jason M.; Foxman, Bruce M.; Thomas, Christine M.","One-electron oxidation chemistry and subsequent reactivity of diiron imido complexes.","Inorganic chemistry","2014","53","11","5429","5437","10.1021/ic403039x","","","0.71073","MoKα","","0.0558","0.0345","","0.0907","0.0778","0.0907","","","","","","0.9852","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338434","10.5016","0.0006","12.5484","0.0008","19.7979","0.0011","91.606","0.003","95.472","0.003","90.287","0.003","2595.9","0.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H66 F Fe2 N3 O3.5 P3 -","- C53 H66 F Fe2 N3 O3.5 P3 -","- C106 H132 F2 Fe4 N6 O7 P6 -","2","1","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Johnson, Bruce M.; Brozek, Carl K.; Krogman, Jeremy P.; Bezpalko, Mark W.; Berben, Louise A.; Keith, Jason M.; Foxman, Bruce M.; Thomas, Christine M.","One-electron oxidation chemistry and subsequent reactivity of diiron imido complexes.","Inorganic chemistry","2014","53","11","5429","5437","10.1021/ic403039x","","","0.71073","MoKα","","0.0602","0.0401","","0.0883","0.0826","0.0883","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338435","23.772","0.003","12.7172","0.0013","41.521","0.005","90","","106.622","0.006","90","","12028","2","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H84 F Fe2 N5 O1.5 P3 -","- C61 H84 F Fe2 N5 O1.5 P3 -","- C488 H672 F8 Fe16 N40 O12 P24 -","8","1","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Johnson, Bruce M.; Brozek, Carl K.; Krogman, Jeremy P.; Bezpalko, Mark W.; Berben, Louise A.; Keith, Jason M.; Foxman, Bruce M.; Thomas, Christine M.","One-electron oxidation chemistry and subsequent reactivity of diiron imido complexes.","Inorganic chemistry","2014","53","11","5429","5437","10.1021/ic403039x","","","0.71073","MoKα","","0.1042","0.0519","","0.0987","0.086","0.0987","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338436","54.826","0.008","14.0542","0.0018","40.978","0.006","90","","118.43","0.002","90","","27767","7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H96 Cu8 Dy5 I8 N11 O28 -","- C132 H89.455 Cu8 Dy5 I8 N11 O28 -","- C1056 H715.64 Cu64 Dy40 I64 N88 O224 -","8","1","","Fang, Wei-Hui; Yang, Guo-Yu","Pillared-layer cluster organic frameworks constructed from nanoscale ln10 and cu16 clusters.","Inorganic chemistry","2014","53","11","5631","5636","10.1021/ic500404z","","","0.71073","MoKα","","0.0865","0.0758","","","0.2101","0.2213","","","","","","1.041","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338437","54.592","0.009","13.9408","0.0018","40.775","0.006","90","","117.995","0.002","90","","27401","7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H96 Cu8 Eu5 I8 N11 O28 -","- C132 H81.854 Cu8 Eu5 I7.8 N11 O28 -","- C1056 H654.832 Cu64 Eu40 I62.4 N88 O224 -","8","1","","Fang, Wei-Hui; Yang, Guo-Yu","Pillared-layer cluster organic frameworks constructed from nanoscale ln10 and cu16 clusters.","Inorganic chemistry","2014","53","11","5631","5636","10.1021/ic500404z","","","0.71073","MoKα","","0.0838","0.0785","","","0.221","0.2269","","","","","","1.001","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338438","11.7929","0.0004","11.9735","0.0004","12.6222","0.0004","108.256","0.0015","116.419","0.0014","100.409","0.0016","1404.39","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.46 H44.8 Cl4 Cu2 N15.73 O16.8 -","- C39.464 H44.804 Cl4 Cu2 N15.732 O16.804 -","- C39.464 H44.804 Cl4 Cu2 N15.732 O16.804 -","1","0.5","","Kaase, Dominic; Gotzmann, Carla; Rein, Stephan; Lan, Yanhua; Kacprzak, Sylwia; Klingele, Julia","[1,2,4]Triazolo[4,3-a]Pyridines as Bridging Ligands-Magnetism of Azole-Bridged Dinuclear Copper(II) Complexes Influenced by the Trigonal Distortion Parameter τ.","Inorganic chemistry","2014","53","11","5546","5555","10.1021/ic500226z","","","0.71073","MoKα","","0.0605","0.0446","","","0.1086","0.1181","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338439","7.0841","0.0002","11.6391","0.0004","12.3534","0.0004","90","","96.41","0.001","90","","1012.2","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Kaase, Dominic; Gotzmann, Carla; Rein, Stephan; Lan, Yanhua; Kacprzak, Sylwia; Klingele, Julia","[1,2,4]Triazolo[4,3-a]Pyridines as Bridging Ligands-Magnetism of Azole-Bridged Dinuclear Copper(II) Complexes Influenced by the Trigonal Distortion Parameter τ.","Inorganic chemistry","2014","53","11","5546","5555","10.1021/ic500226z","","","0.71073","MoKα","","0.0607","0.0454","","","0.1232","0.1328","","","","","","1.068","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338440","12.9691","0.0007","14.0544","0.0005","22.6059","0.0009","90","","94.853","0.003","90","","4105.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H68 Cl4 Cu2 N26 O17 -","- C76 H68 Cl4 Cu2 N26 O17 -","- C152 H136 Cl8 Cu4 N52 O34 -","2","0.5","","Kaase, Dominic; Gotzmann, Carla; Rein, Stephan; Lan, Yanhua; Kacprzak, Sylwia; Klingele, Julia","[1,2,4]Triazolo[4,3-a]Pyridines as Bridging Ligands-Magnetism of Azole-Bridged Dinuclear Copper(II) Complexes Influenced by the Trigonal Distortion Parameter τ.","Inorganic chemistry","2014","53","11","5546","5555","10.1021/ic500226z","","","0.71073","MoKα","","0.1182","0.0801","","","0.182","0.1987","","","","","","1.086","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338441","12.1823","0.0003","12.7822","0.0003","14.8869","0.0006","111.201","0.002","106.719","0.002","98.517","0.001","1985.64","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C73.5 H73 Cl4 Cu2 N24 O21 -","- C73.5 H73 Cl4 Cu2 N24 O21 -","- C73.5 H73 Cl4 Cu2 N24 O21 -","1","0.5","","Kaase, Dominic; Gotzmann, Carla; Rein, Stephan; Lan, Yanhua; Kacprzak, Sylwia; Klingele, Julia","[1,2,4]Triazolo[4,3-a]Pyridines as Bridging Ligands-Magnetism of Azole-Bridged Dinuclear Copper(II) Complexes Influenced by the Trigonal Distortion Parameter τ.","Inorganic chemistry","2014","53","11","5546","5555","10.1021/ic500226z","","","0.71073","MoKα","","0.1023","0.074","","","0.1743","0.1897","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338442","12.2937","0.0003","13.429","0.0003","14.6151","0.0003","65.4661","0.0012","72.0681","0.0012","69.5334","0.0012","2018.62","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H70 Cl4 Cu2 N26 O18 -","- C76 H70 Cl4 Cu2 N26 O18 -","- C76 H70 Cl4 Cu2 N26 O18 -","1","0.5","","Kaase, Dominic; Gotzmann, Carla; Rein, Stephan; Lan, Yanhua; Kacprzak, Sylwia; Klingele, Julia","[1,2,4]Triazolo[4,3-a]Pyridines as Bridging Ligands-Magnetism of Azole-Bridged Dinuclear Copper(II) Complexes Influenced by the Trigonal Distortion Parameter τ.","Inorganic chemistry","2014","53","11","5546","5555","10.1021/ic500226z","","","0.71073","MoKα","","0.0764","0.0542","","","0.1073","0.1202","","","","","","1.073","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338443","3.31913","0.00015","23.361","0.002","9.1582","0.0004","90","","92.65","0.004","90","","709.35","0.08","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- B4 Li6 O9 -","- B4 Li6 O9 -","- B16 Li24 O36 -","4","1","","Rousse, Gwenaëlle; Baptiste, Benoît; Lelong, Gérald","Crystal Structures of Li6B4O9 and Li3B11O18 and Application of the Dimensional Reduction Formalism to Lithium Borates.","Inorganic chemistry","2014","53","12","6034","6041","10.1021/ic500331u","","","0.71073","MoKα","","0.0606","0.0515","","","0.1265","0.1305","","","","","","1.202","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4338444","17.7607","0.0008","7.7737","0.0004","9.6731","0.0004","90","","100.906","0.004","90","","1311.41","0.11","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B11 Li3 O18 -","- B11 Li3 O18 -","- B44 Li12 O72 -","4","1","","Rousse, Gwenaëlle; Baptiste, Benoît; Lelong, Gérald","Crystal Structures of Li6B4O9 and Li3B11O18 and Application of the Dimensional Reduction Formalism to Lithium Borates.","Inorganic chemistry","2014","53","12","6034","6041","10.1021/ic500331u","","","0.71073","MoKα","","0.0595","0.0415","","","0.095","0.1053","","","","","","1.079","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4338445","21.1404","0.0014","21.0962","0.0012","23.9958","0.0014","90","","105.286","0.003","90","","10323.1","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- H29 K3 Mn3 Na O50 Si W9 -","- K2.8 Mn3 Na1.25 O49 Si W9 -","- K22.4 Mn24 Na10 O392 Si8 W72 -","8","2","","Al-Oweini, Rami; Bassil, Bassem S.; Friedl, Jochen; Kottisch, Veronika; Ibrahim, Masooma; Asano, Marie; Keita, Bineta; Novitchi, Ghenadie; Lan, Yanhua; Powell, Annie; Stimming, Ulrich; Kortz, Ulrich","Synthesis and characterization of multinuclear manganese-containing tungstosilicates.","Inorganic chemistry","2014","53","11","5663","5673","10.1021/ic500425c","","","0.71073","MoKα","","0.0704","0.057","","","0.1526","0.1603","","","","","","1.025","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338446","12.1739","0.0011","13.1095","0.0011","18.4657","0.0017","81.702","0.005","87.042","0.005","78.853","0.005","2860.3","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C9 H53.5 K3 Mn4 Na4.5 O66 Si W9 -","- C6 H9 K2.5 Mn4 Na3.5 O55.5 Si W9 -","- C12 H18 K5 Mn8 Na7 O111 Si2 W18 -","2","1","","Al-Oweini, Rami; Bassil, Bassem S.; Friedl, Jochen; Kottisch, Veronika; Ibrahim, Masooma; Asano, Marie; Keita, Bineta; Novitchi, Ghenadie; Lan, Yanhua; Powell, Annie; Stimming, Ulrich; Kortz, Ulrich","Synthesis and characterization of multinuclear manganese-containing tungstosilicates.","Inorganic chemistry","2014","53","11","5663","5673","10.1021/ic500425c","","","0.71073","MoKα","","0.0826","0.0694","","","0.1569","0.1632","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338447","12.487","0.0004","15.9408","0.0006","22.4854","0.0008","90","","95.161","0.002","90","","4457.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- H29 K4 Mn3 O50 Si W9 -","- K4 Mn3 O52 Si W9 -","- K16 Mn12 O208 Si4 W36 -","4","1","","Al-Oweini, Rami; Bassil, Bassem S.; Friedl, Jochen; Kottisch, Veronika; Ibrahim, Masooma; Asano, Marie; Keita, Bineta; Novitchi, Ghenadie; Lan, Yanhua; Powell, Annie; Stimming, Ulrich; Kortz, Ulrich","Synthesis and characterization of multinuclear manganese-containing tungstosilicates.","Inorganic chemistry","2014","53","11","5663","5673","10.1021/ic500425c","","","0.71073","MoKα","","0.0599","0.0401","","","0.0996","0.1122","","","","","","1.003","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338448","42.0007","0.0014","12.3264","0.0004","21.4071","0.0009","90","","95.847","0.002","90","","11025.2","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C9 H51.5 K3 Mn4 Na4.5 O65 Si W9 -","- C6 H9 K4.15 Mn4 Na1.8 O51.75 Si W9 -","- C48 H72 K33.2 Mn32 Na14.4 O414 Si8 W72 -","8","1","","Al-Oweini, Rami; Bassil, Bassem S.; Friedl, Jochen; Kottisch, Veronika; Ibrahim, Masooma; Asano, Marie; Keita, Bineta; Novitchi, Ghenadie; Lan, Yanhua; Powell, Annie; Stimming, Ulrich; Kortz, Ulrich","Synthesis and characterization of multinuclear manganese-containing tungstosilicates.","Inorganic chemistry","2014","53","11","5663","5673","10.1021/ic500425c","","","0.71073","MoKα","","0.0829","0.0476","","","0.1145","0.138","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338449","12.3104","0.0004","12.3104","0.0004","52.317","0.002","90","","90","","120","","6866.2","0.4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- H39 K4.5 Mn3 Na2.5 O55 Si W9 -","- K3.75 Mn3 Na0.375 O46.5 Si W9 -","- K22.5 Mn18 Na2.25 O279 Si6 W54 -","6","0.333333","","Al-Oweini, Rami; Bassil, Bassem S.; Friedl, Jochen; Kottisch, Veronika; Ibrahim, Masooma; Asano, Marie; Keita, Bineta; Novitchi, Ghenadie; Lan, Yanhua; Powell, Annie; Stimming, Ulrich; Kortz, Ulrich","Synthesis and characterization of multinuclear manganese-containing tungstosilicates.","Inorganic chemistry","2014","53","11","5663","5673","10.1021/ic500425c","","","0.71073","MoKα","","0.0743","0.0501","","","0.1337","0.1599","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338450","11.9681","0.0013","13.6395","0.0015","26.614","0.003","90","","90","","90","","4344.4","0.8","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H63 N O2 P S V -","- C45 H63 N O2 P S V -","- C180 H252 N4 O8 P4 S4 V4 -","4","1","","Taniyama, Nobuhiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Synthesis of V/Fe/S Clusters Using Vanadium(III) Thiolate Complexes Bearing a Phenoxide-Based Tridentate Ligand.","Inorganic chemistry","2014","53","11","5438","5446","10.1021/ic4030603","","","0.7107","MoKα","","","0.0457","","","","0.1056","","","","","","1.071","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338451","12.868","0.003","13.695","0.003","14.623","0.003","91.954","0.003","103.666","0.003","97.18","0.003","2479","0.9","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H72 N O2 P S V -","- C51 H72 N O2 P S V -","- C102 H144 N2 O4 P2 S2 V2 -","2","1","","Taniyama, Nobuhiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Synthesis of V/Fe/S Clusters Using Vanadium(III) Thiolate Complexes Bearing a Phenoxide-Based Tridentate Ligand.","Inorganic chemistry","2014","53","11","5438","5446","10.1021/ic4030603","","","0.7107","MoKα","","","0.0591","","","","0.1691","","","","","","1.066","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338452","16.251","0.005","21.181","0.006","16.277","0.005","90","","114.506","0.004","90","","5098","3","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H71 N O3 P S V -","- C52 H71 N O3 P S V -","- C208 H284 N4 O12 P4 S4 V4 -","4","1","","Taniyama, Nobuhiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Synthesis of V/Fe/S Clusters Using Vanadium(III) Thiolate Complexes Bearing a Phenoxide-Based Tridentate Ligand.","Inorganic chemistry","2014","53","11","5438","5446","10.1021/ic4030603","","","0.7107","MoKα","","","0.0493","","","","0.1286","","","","","","1.074","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338453","17.059","0.003","17.444","0.003","21.669","0.004","90","","94.454","0.002","90","","6429","2","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68.5 H75 N O3 P S V -","- C68.5 H75 N O3 P S V -","- C274 H300 N4 O12 P4 S4 V4 -","4","1","","Taniyama, Nobuhiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Synthesis of V/Fe/S Clusters Using Vanadium(III) Thiolate Complexes Bearing a Phenoxide-Based Tridentate Ligand.","Inorganic chemistry","2014","53","11","5438","5446","10.1021/ic4030603","","","0.7107","MoKα","","","0.0806","","","","0.2645","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338454","14.5","0.03","16.41","0.03","17.69","0.03","102.8","0.02","93.233","0.009","114.945","0.015","3668","12","273","","273","","","","","","","","","8","P -1","-P 1","2","","","","- C71 H88 Fe3 N O3 P S5 V -","- C71 H88 Fe3 N O3 P S5 V -","- C142 H176 Fe6 N2 O6 P2 S10 V2 -","2","1","","Taniyama, Nobuhiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Synthesis of V/Fe/S Clusters Using Vanadium(III) Thiolate Complexes Bearing a Phenoxide-Based Tridentate Ligand.","Inorganic chemistry","2014","53","11","5438","5446","10.1021/ic4030603","","","0.71075","MoKα","","","0.1629","","","","0.4614","","","","","","1.097","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338455","15.978","0.003","16.111","0.003","22.37","0.004","87.81","0.006","82.923","0.005","79.975","0.005","5626.6","1.8","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C107 H106 Fe4 O3 P S7 V -","- C107 H106 Fe4 O3 P S7 V -","- C214 H212 Fe8 O6 P2 S14 V2 -","2","1","","Taniyama, Nobuhiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Synthesis of V/Fe/S Clusters Using Vanadium(III) Thiolate Complexes Bearing a Phenoxide-Based Tridentate Ligand.","Inorganic chemistry","2014","53","11","5438","5446","10.1021/ic4030603","","","0.71075","MoKα","","","0.064","","","","0.1992","","","","","","1.011","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338456","9.4972","0.0008","10.0608","0.0008","18.4293","0.0015","86.81","0.001","81.916","0.001","87.187","0.001","1739.2","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","04145a","","","- C26 H39 F6 Fe N6 O6 P S2 -","- C26 H39 F6 Fe N6 O6 P S2 -","- C52 H78 F12 Fe2 N12 O12 P2 S4 -","2","1","","Li, Jia; Banerjee, Atanu; Pawlak, Piotr L.; Brennessel, William W.; Chavez, Ferman A.","Highest Recorded N-O Stretching Frequency for 6-Coordinate {Fe-NO}(7) Complexes: An Iron Nitrosyl Model for His3 Active Sites.","Inorganic chemistry","2014","53","11","5414","5416","10.1021/ic500558j","","","0.71073","MoKα","","0.0547","0.0403","","","0.0979","0.1061","","","","","","1.029","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338457","19.548","0.005","16.958","0.004","27.06","0.007","90","","90.873","0.005","90","","8969","4","100","0.5","100","0.5","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Fe(L)(THF)(OTf)(NO)](OTf)","","","- C34 H55 F6 Fe N7 O9 P S2 -","- C34 H55 F6 Fe N7 O9 P S2 -","- C272 H440 F48 Fe8 N56 O72 P8 S16 -","8","2","","Li, Jia; Banerjee, Atanu; Pawlak, Piotr L.; Brennessel, William W.; Chavez, Ferman A.","Highest Recorded N-O Stretching Frequency for 6-Coordinate {Fe-NO}(7) Complexes: An Iron Nitrosyl Model for His3 Active Sites.","Inorganic chemistry","2014","53","11","5414","5416","10.1021/ic500558j","","","0.71073","MoKα","","0.1417","0.0631","","","0.1373","0.1751","","","","","","1.002","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338458","5.7594","0.0006","16.772","0.002","31.593","0.004","90","","90","","90","","3051.8","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H30 O2 P2 S -","- C38 H30 O2 P2 S -","- C152 H120 O8 P8 S4 -","4","1","","Rosario-Amorin, Daniel; Ouizem, Sabrina; Dickie, Diane A.; Paine, Robert T.; Cramer, Roger E.; Hay, Benjamin P.; Podair, Julien; Delmau, Lætitia H","Synthesis and lanthanide coordination chemistry of phosphine oxide decorated dibenzothiophene and dibenzothiophene sulfone platforms.","Inorganic chemistry","2014","53","11","5698","5711","10.1021/ic500471w","","","0.71073","MoKα","","0.1012","0.056","","","0.1046","0.1229","","","","","","1.004","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338459","8.9081","0.0004","10.2099","0.0005","11.4562","0.0005","91.404","0.003","97.115","0.003","114.544","0.003","937.17","0.08","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H34 Cl4 O4 P2 S -","- C40 H34 Cl4 O4 P2 S -","- C40 H34 Cl4 O4 P2 S -","1","1","","Rosario-Amorin, Daniel; Ouizem, Sabrina; Dickie, Diane A.; Paine, Robert T.; Cramer, Roger E.; Hay, Benjamin P.; Podair, Julien; Delmau, Lætitia H","Synthesis and lanthanide coordination chemistry of phosphine oxide decorated dibenzothiophene and dibenzothiophene sulfone platforms.","Inorganic chemistry","2014","53","11","5698","5711","10.1021/ic500471w","","","0.71073","MoKα","","0.0505","0.0395","","","0.0759","0.0822","","","","","","1.027","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338460","14.6937","0.0005","15.6122","0.0005","20.4382","0.0006","90","","94.086","0.002","90","","4676.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","RD392","","","- C39 H29 Cl9 O4 P2 S -","- C39 H29 Cl9 O4 P2 S -","- C156 H116 Cl36 O16 P8 S4 -","4","1","","Rosario-Amorin, Daniel; Ouizem, Sabrina; Dickie, Diane A.; Paine, Robert T.; Cramer, Roger E.; Hay, Benjamin P.; Podair, Julien; Delmau, Lætitia H","Synthesis and lanthanide coordination chemistry of phosphine oxide decorated dibenzothiophene and dibenzothiophene sulfone platforms.","Inorganic chemistry","2014","53","11","5698","5711","10.1021/ic500471w","","","0.71073","MoKα","","0.1297","0.0807","","","0.245","0.307","","","","","","1.083","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338461","12.2302","0.0004","18.6944","0.0006","20.9282","0.0008","93.358","0.002","105.04","0.002","104.222","0.002","4441","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H74 N10 O23 P4 Pr2 S2 -","- C84 H74 N10 O23 P4 Pr2 S2 -","- C168 H148 N20 O46 P8 Pr4 S4 -","2","1","","Rosario-Amorin, Daniel; Ouizem, Sabrina; Dickie, Diane A.; Paine, Robert T.; Cramer, Roger E.; Hay, Benjamin P.; Podair, Julien; Delmau, Lætitia H","Synthesis and lanthanide coordination chemistry of phosphine oxide decorated dibenzothiophene and dibenzothiophene sulfone platforms.","Inorganic chemistry","2014","53","11","5698","5711","10.1021/ic500471w","","","0.71073","MoKα","","0.0822","0.0504","","","0.1234","0.1343","","","","","","1.108","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338462","14.8649","0.0011","16.272","0.0013","36.997","0.003","90","","91.016","0.004","90","","8947.5","1.2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 La N3 O14 P2 S -","- C38 H32 La N3 O14 P2 S -","- C304 H256 La8 N24 O112 P16 S8 -","8","1","","Rosario-Amorin, Daniel; Ouizem, Sabrina; Dickie, Diane A.; Paine, Robert T.; Cramer, Roger E.; Hay, Benjamin P.; Podair, Julien; Delmau, Lætitia H","Synthesis and lanthanide coordination chemistry of phosphine oxide decorated dibenzothiophene and dibenzothiophene sulfone platforms.","Inorganic chemistry","2014","53","11","5698","5711","10.1021/ic500471w","","","0.71073","MoKα","","0.0694","0.0526","","","0.1507","0.1599","","","","","","1.079","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338463","15.4086","0.0008","12.6936","0.0005","23.8809","0.0012","90","","108.487","0.002","90","","4429.8","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Er N5 O13 P2 S -","- C42 H36 Er N5 O13 P2 S -","- C168 H144 Er4 N20 O52 P8 S4 -","4","1","","Rosario-Amorin, Daniel; Ouizem, Sabrina; Dickie, Diane A.; Paine, Robert T.; Cramer, Roger E.; Hay, Benjamin P.; Podair, Julien; Delmau, Lætitia H","Synthesis and lanthanide coordination chemistry of phosphine oxide decorated dibenzothiophene and dibenzothiophene sulfone platforms.","Inorganic chemistry","2014","53","11","5698","5711","10.1021/ic500471w","","","0.71073","MoKα","","0.0331","0.0234","","","0.0525","0.057","","","","","","1.03","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338464","22.628","0.0007","11.0181","0.0004","48.6986","0.0017","90","","97.762","0.0017","90","","12030.2","0.7","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C124 H105 Cl6 Eu2 N5 O12 P6 S3 -","- C124 H105 Cl6 Eu2 N5 O12 P6 S3 -","- C496 H420 Cl24 Eu8 N20 O48 P24 S12 -","4","1","","Rosario-Amorin, Daniel; Ouizem, Sabrina; Dickie, Diane A.; Paine, Robert T.; Cramer, Roger E.; Hay, Benjamin P.; Podair, Julien; Delmau, Lætitia H","Synthesis and lanthanide coordination chemistry of phosphine oxide decorated dibenzothiophene and dibenzothiophene sulfone platforms.","Inorganic chemistry","2014","53","11","5698","5711","10.1021/ic500471w","","","0.71073","MoKα","","0.1098","0.056","","","0.1023","0.1158","","","","","","1.04","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338465","12.3875","0.0003","13.2484","0.0003","14.997","0.0004","105.651","0.001","90.799","0.001","112.328","0.001","2173.47","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H38 N3 O16 P2 Pr S -","- C39 H38 N3 O16 P2 Pr S -","- C78 H76 N6 O32 P4 Pr2 S2 -","2","1","","Rosario-Amorin, Daniel; Ouizem, Sabrina; Dickie, Diane A.; Paine, Robert T.; Cramer, Roger E.; Hay, Benjamin P.; Podair, Julien; Delmau, Lætitia H","Synthesis and lanthanide coordination chemistry of phosphine oxide decorated dibenzothiophene and dibenzothiophene sulfone platforms.","Inorganic chemistry","2014","53","11","5698","5711","10.1021/ic500471w","","","0.71073","MoKα","","0.026","0.0228","","","0.0614","0.0639","","","","","","1.076","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4338466","10.8703","0.0005","12.5183","0.0006","14.9644","0.0006","103.381","0.003","108.39","0.003","101.636","0.004","1794.71","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Mn(phen)2]2[SnS4]2[Mn(phen)]2_H2O","[Mn(C12H8N2)2]2[SnS4]2[Mn(12H8N2)]2_H2O","","- C72 H50 Mn4 N12 O S8 Sn2 -","- C72 H50 Mn4 N12 O S8 Sn2 -","- C72 H50 Mn4 N12 O S8 Sn2 -","1","0.5","","Hilbert, Jessica; Näther, Christian; Bensch, Wolfgang","Influence of the Synthesis Parameters onto Nucleation and Crystallization of Five New Tin-Sulfur Containing Compounds.","Inorganic chemistry","2014","53","11","5619","5630","10.1021/ic500369m","","","0.71073","MoKα","","0.0534","0.0412","","","0.1039","0.1084","","","","","","1.079","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338467","10.823","0.0004","9.894","0.0002","24.8107","0.001","90","","91.356","0.003","90","","2656.05","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Mn(phen)2]2Sn2S6","[Mn(C12H8N2)2]2Sn2S6","","- C48 H32 Mn2 N8 S6 Sn2 -","- C48 H32 Mn2 N8 S6 Sn2 -","- C96 H64 Mn4 N16 S12 Sn4 -","2","0.5","","Hilbert, Jessica; Näther, Christian; Bensch, Wolfgang","Influence of the Synthesis Parameters onto Nucleation and Crystallization of Five New Tin-Sulfur Containing Compounds.","Inorganic chemistry","2014","53","11","5619","5630","10.1021/ic500369m","","","0.71073","MoKα","","0.0514","0.0423","","","0.0955","0.0996","","","","","","1.12","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338468","11.3203","0.0007","12.1436","0.0007","12.7586","0.0007","113.2","0.004","90.908","0.005","110.974","0.004","1479.92","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Mn(phen)2]2Sn2S6_phen_H2O","[Mn(C12H8N2)2]2Sn2S6_C12H8N2_H2O","","- C60 H42 Mn2 N10 O S6 Sn2 -","- C60 H40 Mn2 N10 O S6 Sn2 -","- C60 H40 Mn2 N10 O S6 Sn2 -","1","0.5","","Hilbert, Jessica; Näther, Christian; Bensch, Wolfgang","Influence of the Synthesis Parameters onto Nucleation and Crystallization of Five New Tin-Sulfur Containing Compounds.","Inorganic chemistry","2014","53","11","5619","5630","10.1021/ic500369m","","","0.71073","MoKα","","0.0432","0.0284","","","0.0696","0.0731","","","","","","0.938","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338469","25.6736","0.0007","11.1006","0.0004","18.0647","0.0005","90","","98.164","0.002","90","","5096.1","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mn(phen)2]2Sn2S6","[Mn(C12H8N2)2]2Sn2S6","","- C48 H32 Mn2 N8 S6 Sn2 -","- C48 H32 Mn2 N8 S6 Sn2 -","- C192 H128 Mn8 N32 S24 Sn8 -","4","0.5","","Hilbert, Jessica; Näther, Christian; Bensch, Wolfgang","Influence of the Synthesis Parameters onto Nucleation and Crystallization of Five New Tin-Sulfur Containing Compounds.","Inorganic chemistry","2014","53","11","5619","5630","10.1021/ic500369m","","","0.71073","MoKα","","0.0322","0.0264","","","0.0574","0.0593","","","","","","1.095","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338470","10.0642","0.0009","10.6249","0.0009","13.6927","0.0012","71.7","0.007","81.458","0.007","84.346","0.007","1372.6","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[Mn(phen)2]2Sn2S6_phen","[Mn(C12H8N2)2]2Sn2S6_C12H8N2","","- C60 H40 Mn2 N10 S6 Sn2 -","- C60 H40 Mn2 N10 S6 Sn2 -","- C60 H40 Mn2 N10 S6 Sn2 -","1","0.5","","Hilbert, Jessica; Näther, Christian; Bensch, Wolfgang","Influence of the Synthesis Parameters onto Nucleation and Crystallization of Five New Tin-Sulfur Containing Compounds.","Inorganic chemistry","2014","53","11","5619","5630","10.1021/ic500369m","","","0.71073","MoKα","","0.1046","0.0634","","","0.1115","0.1242","","","","","","1.027","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338471","10.468","0.004","11.216","0.004","12.826","0.005","77.02","0.014","80.021","0.016","64.277","0.013","1317.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(C24H22N2)2Bi2Cl10","(C24H22N2)2Bi2Cl10","","- C24 H22 Bi Cl5 N2 -","- C24 H22 Bi Cl5 N2 -","- C48 H44 Bi2 Cl10 N4 -","2","1","","Lin, Rong-Guang; Xu, Gang; Lu, Gang; Wang, Ming-Sheng; Li, Pei-Xin; Guo, Guo-Cong","Photochromic Hybrid Containing In Situ-Generated Benzyl Viologen and Novel Trinuclear [Bi3Cl14](5-): Improved Photoresponsive Behavior by the π···π Interactions and Size Effect of Inorganic Oligomer.","Inorganic chemistry","2014","53","11","5538","5545","10.1021/ic5002144","","","0.71073","MoKα","","0.0335","0.0277","","","0.0604","0.0624","","","","","","0.964","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338472","24.43","0.005","12.77","0.002","23.873","0.005","90","","101.738","0.004","90","","7292","2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","C67 H62 Bi3 Cl14 N5 O0.50","5(C24 H22 N2), 2(Bi3 Cl14), 2(C6H6CH2O)","","- C134 H124 Bi6 Cl28 N10 O -","- C134 H124 Bi6 Cl28 N10 O -","- C268 H248 Bi12 Cl56 N20 O2 -","2","0.5","","Lin, Rong-Guang; Xu, Gang; Lu, Gang; Wang, Ming-Sheng; Li, Pei-Xin; Guo, Guo-Cong","Photochromic Hybrid Containing In Situ-Generated Benzyl Viologen and Novel Trinuclear [Bi3Cl14](5-): Improved Photoresponsive Behavior by the π···π Interactions and Size Effect of Inorganic Oligomer.","Inorganic chemistry","2014","53","11","5538","5545","10.1021/ic5002144","","","0.71073","MoKα","","0.0619","0.0518","","","0.1109","0.118","","","","","","1.043","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338473","22.031","0.003","22.031","0.003","7.0266","0.0014","90","","90","","120","","2953.5","0.8","293","2","293","2","","","","","","","","4","R 3","R 3","146","","","","- Al27 B57 H54 O153 -","- Al27 B57.0006 H54 O153 -","- Al27 B57.0006 H54 O153 -","1","","","Li, Qiaoqi; Lin, Cong; Zhou, Zhengyang; Ju, Jing; Li, Guobao; Lin, Jianhua; Gao, Wenliang; Cong, Rihong; Yang, Tao","Systematic study of cr(3+) substitution into octahedra-based microporous aluminoborates.","Inorganic chemistry","2014","53","11","5600","5608","10.1021/ic500352g","","","0.71073","MoKα","","0.0525","0.0482","","","0.1141","0.1167","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338474","9.1095","0.0002","12.6614","0.0003","17.4806","0.0004","70.21","0.002","79.219","0.002","76.201","0.002","1829.86","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H26 Cl2 N8 O8 Ru S -","- C33 H26 Cl2 N8 O8 Ru S -","- C66 H52 Cl4 N16 O16 Ru2 S2 -","2","1","","Ashford, Dennis L.; Glasson, Christopher R. K.; Norris, Michael R.; Concepcion, Javier J.; Keinan, Shahar; Brennaman, M. Kyle; Templeton, Joseph L.; Meyer, Thomas J.","Controlling Ground and Excited State Properties through Ligand Changes in Ruthenium Polypyridyl Complexes.","Inorganic chemistry","2014","53","11","5637","5646","10.1021/ic500408j","","","1.54184","CuKα","","0.0541","0.0456","","","0.1089","0.1122","","","","","","1.054","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338475","14.9012","0.0002","7.0531","0.0001","17.5715","0.0003","90","","103.085","0.001","90","","1798.81","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Fe-NNO","","","- C19 H18 Cl2 Fe N3 O -","- C19 H18 Cl2 Fe N3 O -","- C76 H72 Cl8 Fe4 N12 O4 -","4","1","","Connor, G. P.; Mayer, K. J.; Tribble, C. S.; McNamara, W. R.","Hydrogen evolution catalyzed by an iron polypyridyl complex in aqueous solutions.","Inorganic chemistry","2014","53","11","5408","5410","10.1021/ic500069c","","","1.54178","CuKα","","0.0487","0.0408","","","0.0996","0.1062","","","","","","1.027","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338476","14.4373","0.0005","12.5919","0.0004","14.7778","0.0005","90","","90","","90","","2686.5","0.16","213","","213","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N4 O8 U2 -","- C28 H20 N4 O8 U2 -","- C112 H80 N16 O32 U8 -","4","0.5","","Takao, Koichiro; Tsushima, Satoru; Ogura, Toshinari; Tsubomura, Taro; Ikeda, Yasuhisa","Experimental and Theoretical Approaches to Redox Innocence of Ligands in Uranyl Complexes: What Is Formal Oxidation State of Uranium in Reductant of Uranyl(VI)?","Inorganic chemistry","2014","53","11","5772","5780","10.1021/ic5006314","","","0.71075","MoKα","","","0.0338","","","","0.0723","","","","","","1.068","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338477","7.9381","0.0008","15.9889","0.0016","11.4582","0.0011","90","","105.859","0.002","90","","1398.9","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H30 B N7 Ni O S -","- C28 H30 B N7 Ni O S -","- C56 H60 B2 N14 Ni2 O2 S2 -","2","1","","López-Banet, Luisa; Santana, M. Dolores; Piernas, María José; García, Gabriel; Cerezo, Javier; Requena, Alberto; Zúñiga, José; Pérez, José; García, Luís","Structure and Spectroscopic Properties of Nickel Benzazolate Complexes with Hydrotris(pyrazolyl)borate Ligand.","Inorganic chemistry","2014","53","11","5502","5514","10.1021/ic5001655","","","0.71073","MoKα","","0.0409","0.0385","","","0.0947","0.096","","","","","","1.041","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338478","7.9112","0.0007","15.7485","0.0015","11.4334","0.0011","90","","107.534","0.001","90","","1358.3","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H31 B N8 Ni O -","- C28 H31 B N8 Ni O -","- C56 H62 B2 N16 Ni2 O2 -","2","1","","López-Banet, Luisa; Santana, M. Dolores; Piernas, María José; García, Gabriel; Cerezo, Javier; Requena, Alberto; Zúñiga, José; Pérez, José; García, Luís","Structure and Spectroscopic Properties of Nickel Benzazolate Complexes with Hydrotris(pyrazolyl)borate Ligand.","Inorganic chemistry","2014","53","11","5502","5514","10.1021/ic5001655","","","0.71073","MoKα","","0.0331","0.0322","","","0.0833","0.0838","","","","","","1.028","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338479","11.1853","0.0013","11.2043","0.0013","13.4087","0.0015","66.678","0.002","68.761","0.002","74.156","0.002","1421.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29.5 H33 B N7 Ni O2.5 -","- C29.5 H33 B N7 Ni O2.5 -","- C59 H66 B2 N14 Ni2 O5 -","2","1","","López-Banet, Luisa; Santana, M. Dolores; Piernas, María José; García, Gabriel; Cerezo, Javier; Requena, Alberto; Zúñiga, José; Pérez, José; García, Luís","Structure and Spectroscopic Properties of Nickel Benzazolate Complexes with Hydrotris(pyrazolyl)borate Ligand.","Inorganic chemistry","2014","53","11","5502","5514","10.1021/ic5001655","","","0.71073","MoKα","","0.0436","0.0421","","","0.1227","0.1247","","","","","","0.52","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338489","9.743","0.0008","10.4786","0.0009","33.499","0.003","90","","91.594","0.001","90","","3418.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 Cl6 N6 Sm -","- C24 H45 Cl6 N6 Sm -","- C96 H180 Cl24 N24 Sm4 -","4","1","","Han, Yulun; Lin, Cuikun; Meng, Qingguo; Dai, Fengrong; Sykes, Andrew G.; Berry, Mary T.; May, P. Stanley","(BMI)3LnCl6 Crystals as Models for the Coordination Environment of LnCl3 (Ln = Sm, Eu, Dy, Er, Yb) in 1-Butyl-3-methylimidazolium Chloride Ionic-Liquid Solution.","Inorganic chemistry","2014","53","11","5494","5501","10.1021/ic500101x","","","0.71073","MoKα","","0.0306","0.024","","","0.0488","0.051","","","","","","1.042","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338490","9.734","0.0005","10.4776","0.0005","33.4766","0.0017","90","","91.636","0.001","90","","3412.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 Cl6 Eu N6 -","- C24 H45 Cl6 Eu N6 -","- C96 H180 Cl24 Eu4 N24 -","4","1","","Han, Yulun; Lin, Cuikun; Meng, Qingguo; Dai, Fengrong; Sykes, Andrew G.; Berry, Mary T.; May, P. Stanley","(BMI)3LnCl6 Crystals as Models for the Coordination Environment of LnCl3 (Ln = Sm, Eu, Dy, Er, Yb) in 1-Butyl-3-methylimidazolium Chloride Ionic-Liquid Solution.","Inorganic chemistry","2014","53","11","5494","5501","10.1021/ic500101x","","","0.71073","MoKα","","0.0202","0.0192","","","0.0444","0.0449","","","","","","1.117","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338491","9.7013","0.0006","10.4692","0.0007","33.394","0.002","90","","91.689","0.001","90","","3390.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 Cl6 Dy N6 -","- C24 H45 Cl6 Dy N6 -","- C96 H180 Cl24 Dy4 N24 -","4","1","","Han, Yulun; Lin, Cuikun; Meng, Qingguo; Dai, Fengrong; Sykes, Andrew G.; Berry, Mary T.; May, P. Stanley","(BMI)3LnCl6 Crystals as Models for the Coordination Environment of LnCl3 (Ln = Sm, Eu, Dy, Er, Yb) in 1-Butyl-3-methylimidazolium Chloride Ionic-Liquid Solution.","Inorganic chemistry","2014","53","11","5494","5501","10.1021/ic500101x","","","0.71073","MoKα","","0.023","0.0225","","","0.0543","0.0545","","","","","","1.034","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338492","9.6836","0.0005","10.4703","0.0005","33.336","0.0017","90","","91.705","0.001","90","","3378.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 Cl6 Er N6 -","- C24 H45 Cl6 Er N6 -","- C96 H180 Cl24 Er4 N24 -","4","1","","Han, Yulun; Lin, Cuikun; Meng, Qingguo; Dai, Fengrong; Sykes, Andrew G.; Berry, Mary T.; May, P. Stanley","(BMI)3LnCl6 Crystals as Models for the Coordination Environment of LnCl3 (Ln = Sm, Eu, Dy, Er, Yb) in 1-Butyl-3-methylimidazolium Chloride Ionic-Liquid Solution.","Inorganic chemistry","2014","53","11","5494","5501","10.1021/ic500101x","","","0.71073","MoKα","","0.0195","0.0184","","","0.0416","0.042","","","","","","1.069","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338493","9.6715","0.0005","10.465","0.0005","33.2768","0.0016","90","","91.767","0.001","90","","3366.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 Cl6 N6 Yb -","- C24 H45 Cl6 N6 Yb -","- C96 H180 Cl24 N24 Yb4 -","4","1","","Han, Yulun; Lin, Cuikun; Meng, Qingguo; Dai, Fengrong; Sykes, Andrew G.; Berry, Mary T.; May, P. Stanley","(BMI)3LnCl6 Crystals as Models for the Coordination Environment of LnCl3 (Ln = Sm, Eu, Dy, Er, Yb) in 1-Butyl-3-methylimidazolium Chloride Ionic-Liquid Solution.","Inorganic chemistry","2014","53","11","5494","5501","10.1021/ic500101x","","","0.71073","MoKα","","0.0271","0.0256","","","0.0538","0.0543","","","","","","1.191","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338494","15.9325","0.0006","15.9325","0.0006","25.3047","0.001","90","","90","","90","","6423.5","0.4","296","2","296","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C12 H16 Ag N5 O7 -","- C12 H16 Ag N5 O7 -","- C192 H256 Ag16 N80 O112 -","16","0.5","","Wu, Jing-Yun; Liu, Yu-Chiao; Chao, Tzu-Ching","From 1D Helix to 0D Loop: Nitrite Anion Induced Structural Transformation Associated with Unexpected N-Nitrosation of Amine Ligand.","Inorganic chemistry","2014","53","11","5581","5588","10.1021/ic500306y","","","0.71073","MoKα","","0.0308","0.0254","","","0.0628","0.0662","","","","","","1.062","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338495","7.9739","0.0004","8.4019","0.0004","11.2669","0.0006","82.796","0.004","71.409","0.004","68.115","0.004","663.87","0.06","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Ag2 N10 O6 -","- C24 H24 Ag2 N10 O6 -","- C24 H24 Ag2 N10 O6 -","1","0.5","","Wu, Jing-Yun; Liu, Yu-Chiao; Chao, Tzu-Ching","From 1D Helix to 0D Loop: Nitrite Anion Induced Structural Transformation Associated with Unexpected N-Nitrosation of Amine Ligand.","Inorganic chemistry","2014","53","11","5581","5588","10.1021/ic500306y","","","0.71073","MoKα","","0.04","0.0318","","","0.058","0.0609","","","","","","1.037","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338496","18.758","0.005","13.8947","0.0016","15.663","0.004","90","","133.66","0.04","90","","2953","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 N8 O3 Ru -","- C32 H24 N8 O3 Ru -","- C128 H96 N32 O12 Ru4 -","4","0.5","","Ghosh, Prabir; Mondal, Prasenjit; Ray, Ritwika; Das, Ankita; Bag, Sukdev; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Significant Influence of Coligands Toward Varying Coordination Modes of 2,2'-Bipyridine-3,3'-diol in Ruthenium Complexes.","Inorganic chemistry","2014","53","12","6094","6106","10.1021/ic5004676","","","0.71073","MoKα","","0.0533","0.0451","","","0.1157","0.1254","","","","","","1.123","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338497","25.9006","0.0005","14.5163","0.0003","34.571","0.0008","90","","103.525","0.002","90","","12637.6","0.5","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C61 H50 Cl2 N14 O12 Ru2 -","- C61 H50 Cl2 N14 O12 Ru2 -","- C488 H400 Cl16 N112 O96 Ru16 -","8","1","","Ghosh, Prabir; Mondal, Prasenjit; Ray, Ritwika; Das, Ankita; Bag, Sukdev; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Significant Influence of Coligands Toward Varying Coordination Modes of 2,2'-Bipyridine-3,3'-diol in Ruthenium Complexes.","Inorganic chemistry","2014","53","12","6094","6106","10.1021/ic5004676","","","0.71073","MoKα","","0.0916","0.0631","","","0.1592","0.1858","","","","","","1.056","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338498","13.906","0.0002","13.3467","0.0002","16.156","0.0002","90","","101.797","0.001","90","","2935.21","0.07","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H26 N6 O2 Ru -","- C34 H26 N6 O2 Ru -","- C136 H104 N24 O8 Ru4 -","4","0.5","","Ghosh, Prabir; Mondal, Prasenjit; Ray, Ritwika; Das, Ankita; Bag, Sukdev; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Significant Influence of Coligands Toward Varying Coordination Modes of 2,2'-Bipyridine-3,3'-diol in Ruthenium Complexes.","Inorganic chemistry","2014","53","12","6094","6106","10.1021/ic5004676","","","0.71073","MoKα","","0.0249","0.0239","","","0.0675","0.0686","","","","","","1.058","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338499","19.6215","0.0001","19.6215","0.0001","12.1711","0.0001","90","","90","","90","","4685.91","0.05","150","2","150","2","","","","","","","","5","I -4","I -4","82","","","","- C20 H21 N2 O6 Ru -","- C20 H21 N2 O6 Ru -","- C160 H168 N16 O48 Ru8 -","8","1","","Ghosh, Prabir; Mondal, Prasenjit; Ray, Ritwika; Das, Ankita; Bag, Sukdev; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Significant Influence of Coligands Toward Varying Coordination Modes of 2,2'-Bipyridine-3,3'-diol in Ruthenium Complexes.","Inorganic chemistry","2014","53","12","6094","6106","10.1021/ic5004676","","","1.5418","CuKα","","0.0209","0.0208","","","0.0578","0.0579","","","","","","1.063","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338500","9.2021","0.0002","9.3522","0.0003","9.9504","0.0003","68.181","0.003","87.493","0.002","87.47","0.002","793.87","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H20 Co N18 -","- C32 H20 Co N18 -","- C32 H20 Co N18 -","1","0.5","","Herchel, Radovan; Váhovská, Lucia; Potočňák, Ivan; Trávníček, Zdeněk","Slow Magnetic Relaxation in Octahedral Cobalt(II) Field-Induced Single-Ion Magnet with Positive Axial and Large Rhombic Anisotropy.","Inorganic chemistry","2014","53","12","5896","5898","10.1021/ic500916u","","","0.71073","MoKα","","0.0485","0.0364","","","0.082","0.0879","","","","","","1.088","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338509","5.3488","0.0012","5.3488","0.0012","4.8269","0.0012","90","","90","","120","","119.59","0.05","213","2","213","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C F O3 Pb Rb -","- C F0.99 O3 Pb Rb -","- C F0.99 O3 Pb Rb -","1","0.0833333","","Tran, T. Thao; Halasyamani, P. Shiv; Rondinelli, James M.","Role of Acentric Displacements on the Crystal Structure and Second-Harmonic Generating Properties of RbPbCO3F and CsPbCO3F.","Inorganic chemistry","2014","53","12","6241","6251","10.1021/ic500778n","","","0.71073","MoKα","","0.0112","0.0112","","","0.0258","0.0258","","","","","","1.267","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338510","5.393","0.003","5.393","0.003","5.116","0.002","90","","90","","120","","128.86","0.11","213","2","213","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C Cs F O3 Pb -","- C Cs F O3 Pb -","- C Cs F O3 Pb -","1","0.0833333","","Tran, T. Thao; Halasyamani, P. Shiv; Rondinelli, James M.","Role of Acentric Displacements on the Crystal Structure and Second-Harmonic Generating Properties of RbPbCO3F and CsPbCO3F.","Inorganic chemistry","2014","53","12","6241","6251","10.1021/ic500778n","","","0.71073","MoKα","","0.0191","0.0191","","","0.0517","0.0517","","","","","","1.23","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338511","14.8467","0.0007","14.8467","0.0007","6.5168","0.0006","90","","90","","90","","1436.46","0.16","100","2","100","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- F5 Li U -","- F5 Li U -","- F80 Li16 U16 -","16","","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF5, KU2F9, K7U6F31, RbUF5, RbU2F9, and RbU3F13.","Inorganic chemistry","2014","53","12","6289","6298","10.1021/ic5008507","","","0.71073","MoKα","","0.0321","0.0279","","","0.057","0.0582","","","","","","1.301","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338512","8.6923","0.0006","11.4542","0.0008","7.0132","0.0005","90","","90","","90","","698.26","0.08","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F9 K U2 -","- F9 K U2 -","- F36 K4 U8 -","4","0.5","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF5, KU2F9, K7U6F31, RbUF5, RbU2F9, and RbU3F13.","Inorganic chemistry","2014","53","12","6289","6298","10.1021/ic5008507","","","0.71073","MoKα","","0.0287","0.0251","","","0.0623","0.0638","","","","","","1.155","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338513","15.1426","0.0008","15.1426","0.0008","10.3856","0.001","90","","90","","120","","2062.4","0.3","295","2","295","2","","","","","","","","3","R -3","-R 3","148","","","","- F31 K7 U6 -","- F31 K7 U6 -","- F93 K21 U18 -","3","","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF5, KU2F9, K7U6F31, RbUF5, RbU2F9, and RbU3F13.","Inorganic chemistry","2014","53","12","6289","6298","10.1021/ic5008507","","","0.71073","MoKα","","0.0492","0.0395","","","0.1008","0.1055","","","","","","1.109","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338514","8.2407","0.0003","13.7275","0.0005","8.3295","0.0003","90","","102.447","0.001","90","","920.12","0.06","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- F5 Rb U -","- F5 Rb U -","- F40 Rb8 U8 -","8","2","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF5, KU2F9, K7U6F31, RbUF5, RbU2F9, and RbU3F13.","Inorganic chemistry","2014","53","12","6289","6298","10.1021/ic5008507","","","0.71073","MoKα","","0.0544","0.0358","","","0.0742","0.0813","","","","","","1.031","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338515","8.733","0.0008","11.6754","0.001","7.0304","0.0006","90","","90","","90","","716.83","0.11","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F9 Rb U2 -","- F9 Rb U2 -","- F36 Rb4 U8 -","4","0.5","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF5, KU2F9, K7U6F31, RbUF5, RbU2F9, and RbU3F13.","Inorganic chemistry","2014","53","12","6289","6298","10.1021/ic5008507","","","0.71073","MoKα","","0.0351","0.0301","","","0.0725","0.0743","","","","","","1.146","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338516","7.9943","0.0006","7.3217","0.0005","8.4677","0.0006","90","","90","","90","","495.63","0.06","100","2","100","2","","","","","","","","3","P m c 21","P 2c -2","26","","","","- F13 Rb U3 -","- F13 Rb U3 -","- F26 Rb2 U6 -","2","0.5","","Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad","Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF5, KU2F9, K7U6F31, RbUF5, RbU2F9, and RbU3F13.","Inorganic chemistry","2014","53","12","6289","6298","10.1021/ic5008507","","","0.71073","MoKα","","0.0417","0.04","","","0.1038","0.1053","","","","","","1.056","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338517","7.1218","0.0002","13.8532","0.0004","23.3707","0.0007","90","","94.316","0.001","90","","2299.21","0.12","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Br O3 P Ru -","- C22 H30 Br O3 P Ru -","- C88 H120 Br4 O12 P4 Ru4 -","4","1","","Joslin, Evan E.; Quillian, Brandon; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal; Myers, William H.","C-H Activation of Pyrazolyl Ligands by Ru(II).","Inorganic chemistry","2014","53","12","6270","6279","10.1021/ic500811n","","","0.71073","MoKα","","0.0377","0.0272","","","0.0598","0.0641","","","","","","1.036","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338518","11.5204","0.0002","35.9819","0.0007","16.6646","0.0003","90","","99.818","0.001","90","","6806.7","0.2","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C61 H46 B Cl F24 N9 O5 P Ru -","- C61 H46 B Cl F24 N9 O5 P Ru -","- C244 H184 B4 Cl4 F96 N36 O20 P4 Ru4 -","4","1","","Joslin, Evan E.; Quillian, Brandon; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal; Myers, William H.","C-H Activation of Pyrazolyl Ligands by Ru(II).","Inorganic chemistry","2014","53","12","6270","6279","10.1021/ic500811n","","","0.71073","MoKα","","0.0751","0.0583","","","0.1721","0.1861","","","","","","1.415","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338519","8.368","0.002","10.586","0.002","13.162","0.003","67.86","0.007","76.771","0.009","89.873","0.012","1046.7","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H38 Cu N14 O12 -","- C37 H28 Cu N14 O12 -","- C37 H28 Cu N14 O12 -","1","0.5","","Liu, Ju-Yan; Wang, Qian; Zhang, Li-Jun; Yuan, Bin; Xu, Yao-Yao; Zhang, Xin; Zhao, Cong-Ying; Wang, Dan; Yuan, Yue; Wang, Ying; Ding, Bin; Zhao, Xiao-Jun; Yue, Min Min","Anion-Exchange and Anthracene-Encapsulation within Copper(II) and Manganese(II)-Triazole Metal-Organic Confined Space in a Single Crystal-to-Single Crystal Transformation Fashion.","Inorganic chemistry","2014","53","12","5972","5985","10.1021/ic500183b","","","0.71073","MoKα","","0.0544","0.0458","","","0.135","0.1401","","","","","","1.083","","","","has coordinates,has disorder","179488","2020-10-21","18:00:00",""
"4338520","10.6944","0.0011","13.9742","0.0014","15.8189","0.0017","90","","107.169","0.002","90","","2258.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Cl2 Cu N12 O14 -","- C40 H44 Cl2 Cu N12 O14 -","- C80 H88 Cl4 Cu2 N24 O28 -","2","0.5","","Liu, Ju-Yan; Wang, Qian; Zhang, Li-Jun; Yuan, Bin; Xu, Yao-Yao; Zhang, Xin; Zhao, Cong-Ying; Wang, Dan; Yuan, Yue; Wang, Ying; Ding, Bin; Zhao, Xiao-Jun; Yue, Min Min","Anion-Exchange and Anthracene-Encapsulation within Copper(II) and Manganese(II)-Triazole Metal-Organic Confined Space in a Single Crystal-to-Single Crystal Transformation Fashion.","Inorganic chemistry","2014","53","12","5972","5985","10.1021/ic500183b","","","0.71073","MoKα","","0.0745","0.06","","","0.1642","0.1766","","","","","","1.039","","","","has coordinates,has disorder","179488","2020-10-21","18:00:00",""
"4338521","10.009","0.003","13.956","0.004","16.491","0.005","90","","105.06","0.004","90","","2224.4","1.1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cl Cu0.5 N7 O6 -","- C21 H21 Cl Cu0.5 N7 O6 -","- C84 H84 Cl4 Cu2 N28 O24 -","4","1","","Liu, Ju-Yan; Wang, Qian; Zhang, Li-Jun; Yuan, Bin; Xu, Yao-Yao; Zhang, Xin; Zhao, Cong-Ying; Wang, Dan; Yuan, Yue; Wang, Ying; Ding, Bin; Zhao, Xiao-Jun; Yue, Min Min","Anion-Exchange and Anthracene-Encapsulation within Copper(II) and Manganese(II)-Triazole Metal-Organic Confined Space in a Single Crystal-to-Single Crystal Transformation Fashion.","Inorganic chemistry","2014","53","12","5972","5985","10.1021/ic500183b","","","0.71073","MoKα","","0.0603","0.0496","","","0.1279","0.1359","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338522","8.465","0.0017","10.542","0.002","13.191","0.003","68.17","0.03","77.17","0.03","89.7","0.03","1061.5","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H43 Cu N14 O11 -","- C40.4 H24 Cu N14 O11 -","- C40.4 H24 Cu N14 O11 -","1","0.5","","Liu, Ju-Yan; Wang, Qian; Zhang, Li-Jun; Yuan, Bin; Xu, Yao-Yao; Zhang, Xin; Zhao, Cong-Ying; Wang, Dan; Yuan, Yue; Wang, Ying; Ding, Bin; Zhao, Xiao-Jun; Yue, Min Min","Anion-Exchange and Anthracene-Encapsulation within Copper(II) and Manganese(II)-Triazole Metal-Organic Confined Space in a Single Crystal-to-Single Crystal Transformation Fashion.","Inorganic chemistry","2014","53","12","5972","5985","10.1021/ic500183b","","","0.71073","MoKα","","0.0613","0.0543","","","0.1476","0.1521","","","","","","1.103","","","","has coordinates,has disorder","179488","2020-10-21","18:00:00",""
"4338523","14.329","0.0012","14.329","0.0012","44.554","0.004","90","","90","","90","","9147.8","1.4","113","2","113","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C36 H28 B2 Cu F8 N12 O2 -","- C36 H28 B2 Cu F8 N12 O2 -","- C288 H224 B16 Cu8 F64 N96 O16 -","8","0.5","","Liu, Ju-Yan; Wang, Qian; Zhang, Li-Jun; Yuan, Bin; Xu, Yao-Yao; Zhang, Xin; Zhao, Cong-Ying; Wang, Dan; Yuan, Yue; Wang, Ying; Ding, Bin; Zhao, Xiao-Jun; Yue, Min Min","Anion-Exchange and Anthracene-Encapsulation within Copper(II) and Manganese(II)-Triazole Metal-Organic Confined Space in a Single Crystal-to-Single Crystal Transformation Fashion.","Inorganic chemistry","2014","53","12","5972","5985","10.1021/ic500183b","","","0.71073","MoKα","","0.0632","0.0564","","","0.1381","0.1428","","","","","","1.084","","","","has coordinates,has disorder","179488","2020-10-21","18:00:00",""
"4338524","14.353","0.002","14.353","0.002","44.533","0.009","90","","90","","90","","9174","3","113","2","113","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H41.13 Cl2 Cu N12 O15.56 -","- C36 H28 Cl2 Cu N12 O15.565 -","- C288 H224 Cl16 Cu8 N96 O124.52 -","8","0.5","","Liu, Ju-Yan; Wang, Qian; Zhang, Li-Jun; Yuan, Bin; Xu, Yao-Yao; Zhang, Xin; Zhao, Cong-Ying; Wang, Dan; Yuan, Yue; Wang, Ying; Ding, Bin; Zhao, Xiao-Jun; Yue, Min Min","Anion-Exchange and Anthracene-Encapsulation within Copper(II) and Manganese(II)-Triazole Metal-Organic Confined Space in a Single Crystal-to-Single Crystal Transformation Fashion.","Inorganic chemistry","2014","53","12","5972","5985","10.1021/ic500183b","","","0.71073","MoKα","","0.0839","0.0816","","","0.2309","0.2337","","","","","","1.125","","","","has coordinates,has disorder","179488","2020-10-21","18:00:00",""
"4338525","7.1626","0.0004","27.2309","0.0016","11.2131","0.0007","90","","98.595","0.001","90","","2162.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Mn N14 O4 S2 -","- C40 H32 Mn N14 O4 S2 -","- C80 H64 Mn2 N28 O8 S4 -","2","0.5","","Liu, Ju-Yan; Wang, Qian; Zhang, Li-Jun; Yuan, Bin; Xu, Yao-Yao; Zhang, Xin; Zhao, Cong-Ying; Wang, Dan; Yuan, Yue; Wang, Ying; Ding, Bin; Zhao, Xiao-Jun; Yue, Min Min","Anion-Exchange and Anthracene-Encapsulation within Copper(II) and Manganese(II)-Triazole Metal-Organic Confined Space in a Single Crystal-to-Single Crystal Transformation Fashion.","Inorganic chemistry","2014","53","12","5972","5985","10.1021/ic500183b","","","0.71073","MoKα","","0.0635","0.0533","","","0.1394","0.1478","","","","","","1.062","","","","has coordinates,has disorder","179488","2020-10-21","18:00:00",""
"4338526","13.514","0.003","14.027","0.003","14.082","0.003","117.25","0.03","106.18","0.03","100.13","0.03","2130.3","1.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H33 Mn N10 S2 -","- C49 H33 Mn N10 S2 -","- C98 H66 Mn2 N20 S4 -","2","1","","Liu, Ju-Yan; Wang, Qian; Zhang, Li-Jun; Yuan, Bin; Xu, Yao-Yao; Zhang, Xin; Zhao, Cong-Ying; Wang, Dan; Yuan, Yue; Wang, Ying; Ding, Bin; Zhao, Xiao-Jun; Yue, Min Min","Anion-Exchange and Anthracene-Encapsulation within Copper(II) and Manganese(II)-Triazole Metal-Organic Confined Space in a Single Crystal-to-Single Crystal Transformation Fashion.","Inorganic chemistry","2014","53","12","5972","5985","10.1021/ic500183b","","","0.71073","MoKα","","0.2076","0.1756","","","0.4801","0.4956","","","","","","1.197","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338527","4.9246","0.0003","4.9246","0.0003","11.2337","0.0008","90","","90","","90","","272.44","0.03","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Au0.78 Ba Sn3.22 -","- Au0.786 Ba Sn3.214 -","- Au1.572 Ba2 Sn6.428 -","2","0.125","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0317","0.0313","","","0.0717","0.0724","","","","","","1.13","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338528","4.9597","0.0009","4.9597","0.0009","11.225","0.002","90","","90","","90","","276.12","0.09","296","2","296","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Au0.82 Ba Sn3.18 -","- Au0.821 Ba Sn3.179 -","- Au1.642 Ba2 Sn6.358 -","2","0.125","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0203","0.019","","","0.0377","0.0382","","","","","","1.186","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338529","4.9974","0.0002","4.9974","0.0002","11.1107","0.0004","90","","90","","90","","277.479","0.019","293","2","293","2","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Au Ba Sn3 -","- Au Ba Sn3 -","- Au2 Ba2 Sn6 -","2","0.125","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0189","0.0185","","","0.0309","0.031","","","","","","0.875","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338530","4.8925","0.0008","4.8925","0.0008","11.2826","0.0019","90","","90","","90","","270.07","0.08","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au1.38 Ba Sn2.62 -","- Au1.38 Ba Sn2.62 -","- Au2.76 Ba2 Sn5.24 -","2","0.0625","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0187","0.0182","","","0.0385","0.0386","","","","","","1.19","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338531","4.8837","0.0002","4.8837","0.0002","11.2694","0.0005","90","","90","","90","","268.78","0.02","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au1.4 Ba Sn2.6 -","- Au1.402 Ba Sn2.598 -","- Au2.804 Ba2 Sn5.196 -","2","0.0625","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0148","0.0139","","","0.0296","0.0299","","","","","","1.17","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338532","4.8744","0.0001","4.8744","0.0001","11.2703","0.0004","90","","90","","90","","267.78","0.012","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au1.47 Ba Sn2.53 -","- Au1.47 Ba Sn2.53 -","- Au2.94 Ba2 Sn5.06 -","2","0.0625","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0202","0.0187","","","0.0388","0.0392","","","","","","1.116","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338533","4.8526","0.0001","4.8526","0.0001","11.2904","0.0004","90","","90","","90","","265.863","0.012","296","2","296","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","","","","- Au1.52 Ba Sn2.48 -","- Au1.522 Ba Sn2.478 -","- Au3.044 Ba2 Sn4.956 -","2","","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0195","0.0181","","","0.0484","0.0495","","","","","","1.193","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338534","4.7995","0.0001","4.7995","0.0001","11.2738","0.0003","90","","90","","90","","259.694","0.01","293","2","293","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","","","","- Au1.77 Ba Sn2.23 -","- Au1.774 Ba Sn2.226 -","- Au3.548 Ba2 Sn4.452 -","2","","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0233","0.021","","","0.0443","0.045","","","","","","1.17","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338535","4.7974","0.0008","4.7974","0.0008","11.2763","0.0019","90","","90","","90","","259.52","0.08","293","2","293","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","","","","- Au1.81 Ba Sn2.19 -","- Au1.817 Ba Sn2.183 -","- Au3.634 Ba2 Sn4.366 -","2","","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.026","0.0235","","","0.0515","0.0526","","","","","","1.057","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338536","4.7935","0.0006","4.7935","0.0006","11.213","0.003","90","","90","","90","","257.65","0.08","273","2","273","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","","","","- Au2 Ba Sn2 -","- Au2 Ba Sn2 -","- Au4 Ba2 Sn4 -","2","","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0243","0.0206","","","0.0468","0.0482","","","","","","1.039","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338537","4.7683","0.0008","4.7683","0.0008","11.154","0.002","90","","90","","90","","253.6","0.08","296","2","296","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","","","","- Au2.17 Ba Sn1.83 -","- Au2.164 Ba Sn1.836 -","- Au4.328 Ba2 Sn3.672 -","2","","","Lin, Qisheng; Miller, Gordon J.; Corbett, John D.","Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts.","Inorganic chemistry","2014","53","12","5875","5877","10.1021/ic402991d","","","0.71073","MoKα","","0.0286","0.0248","","","0.0551","0.0567","","","","","","1.136","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338538","12.009","0.003","15.962","0.003","13.365","0.003","90","","112.938","0.004","90","","2359.3","0.9","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H41 N6 Nd O15 Zn -","- C40 H35 N6 Nd O15 Zn -","- C80 H70 N12 Nd2 O30 Zn2 -","2","1","","Zhang, Zhao; Feng, Weixu; Su, Peiyang; Lü, Xingqiang; Song, Jirong; Fan, Daidi; Wong, Wai-Kwok; Jones, Richard A.; Su, Chengyong","Near-Infrared Luminescent PMMA-Supported Metallopolymers Based on Zn-Nd Schiff-Base Complexes.","Inorganic chemistry","2014","53","12","5950","5960","10.1021/ic500132n","","","0.71073","MoKα","","0.1374","0.0806","","","0.1861","0.2294","","","","","","1.047","","","","has coordinates","179488","2020-10-21","18:00:00",""
"4338539","12.3057","0.0012","14.6933","0.0014","24.791","0.002","90","","90.43","0.002","90","","4482.4","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 N6 Nd O13.5 Zn -","- C43 H35 N6 Nd O13.5 Zn -","- C172 H140 N24 Nd4 O54 Zn4 -","4","1","","Zhang, Zhao; Feng, Weixu; Su, Peiyang; Lü, Xingqiang; Song, Jirong; Fan, Daidi; Wong, Wai-Kwok; Jones, Richard A.; Su, Chengyong","Near-Infrared Luminescent PMMA-Supported Metallopolymers Based on Zn-Nd Schiff-Base Complexes.","Inorganic chemistry","2014","53","12","5950","5960","10.1021/ic500132n","","","0.71073","MoKα","","0.1517","0.0796","","","0.2189","0.2583","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338666","5.4884","0.0001","11.6086","0.0003","25.871","0.0007","90","","90","","90","","1648.31","0.07","100","2","100","2","","","","","","","","4","F d d d","-F 2uv 2vw","70","Hafnium sulfate tetrahydrate","","","- H8 Hf O12 S2 -","- H8 Hf O12 S2 -","- H64 Hf8 O96 S16 -","8","","","Kalaji, Ali; Skanthakumar, S.; Kanatzidis, Mercouri G.; Mitchell, John F.; Soderholm, L.","Changing Hafnium Speciation in Aqueous Sulfate Solutions: A High-Energy X-ray Scattering Study.","Inorganic chemistry","2014","53","12","6321","6328","10.1021/ic500938k","","","0.71073","MoKα","","0.011","0.0108","","","0.0259","0.0259","","","","","","1.328","","","","has coordinates","179489","2020-10-21","18:00:00",""
"4338667","17.0336","0.0012","17.0336","0.0012","7.7023","0.0005","90","","90","","90","","2234.8","0.3","298","2","298","2","","","","","","","","4","P -4 21 c","P -4 2n","114","hafnyl chloride octahydrate","","","- Cl8 H64 Hf4 O36 -","- Cl8 Hf4 O36 -","- Cl16 Hf8 O72 -","2","0.25","","Kalaji, Ali; Skanthakumar, S.; Kanatzidis, Mercouri G.; Mitchell, John F.; Soderholm, L.","Changing Hafnium Speciation in Aqueous Sulfate Solutions: A High-Energy X-ray Scattering Study.","Inorganic chemistry","2014","53","12","6321","6328","10.1021/ic500938k","","","0.71073","MoKα","","0.0306","0.0255","","","0.061","0.0629","","","","","","1.055","","","","has coordinates,has disorder","179489","2020-10-21","18:00:00",""
"4338668","38.3455","0.0011","11.3143","0.0003","30.4666","0.0014","90","","127.662","0.0009","90","","10463.8","0.6","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C94.5 H107 Al1.5 Cl5.5 Cr6 N8 O0 P4 -","- C94.5 H107 Al1.5 Cl5.5 Cr6 N8 P4 -","- C378 H428 Al6 Cl22 Cr24 N32 P16 -","4","0.5","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia; Murugesu, Muralee; Le Roy, Jennifer J. H.; Budzelaar, Peter H. M.","Isolation of a hexanuclear chromium cluster with a tetrahedral hydridic core and its catalytic behavior for ethylene oligomerization.","Inorganic chemistry","2014","53","12","6073","6081","10.1021/ic500445b","","","0.71073","MoKα","","0.1006","0.059","","","0.1404","0.1624","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338669","18.2415","0.001","18.2415","0.001","17.1784","0.001","90","","90","","120","","4950.3","0.5","100","1","100","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 Ce I N3 Si6 -","- C18 H54 Ce I N3 Si6 -","- C108 H324 Ce6 I6 N18 Si36 -","6","0.333333","","Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Synthesis and Analysis of a Family of Cerium(IV) Halide and Pseudohalide Compounds.","Inorganic chemistry","2014","53","12","6338","6345","10.1021/ic500969r","","","0.71073","MoKα","","0.0085","0.0083","","","0.0228","0.023","","","","","","1.078","","","","has coordinates","179489","2020-10-21","18:00:00",""
"4338670","18.515","0.001","18.515","0.001","16.7999","0.0009","90","","90","","120","","4987.5","0.5","100","1","100","1","","","","","","","","5","R 3 :H","R 3","146","","","","- C36 H108 Ce2 N12 Si12 -","- C36 H108 Ce2 N12 Si12 -","- C108 H324 Ce6 N36 Si36 -","3","0.333333","","Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Synthesis and Analysis of a Family of Cerium(IV) Halide and Pseudohalide Compounds.","Inorganic chemistry","2014","53","12","6338","6345","10.1021/ic500969r","","","0.71073","MoKα","","0.0126","0.0116","","","0.0309","0.0398","","","","","","1.257","","","","has coordinates","179489","2020-10-21","18:00:00",""
"4338671","17.6275","0.0011","12.3266","0.0008","16.4282","0.001","90","","96.261","0.003","90","","3548.3","0.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H54 Ce N4 S Si6 -","- C19 H54 Ce N4 S Si6 -","- C76 H216 Ce4 N16 S4 Si24 -","4","1","","Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Synthesis and Analysis of a Family of Cerium(IV) Halide and Pseudohalide Compounds.","Inorganic chemistry","2014","53","12","6338","6345","10.1021/ic500969r","","","0.71073","MoKα","","0.0215","0.0185","","","0.0424","0.0451","","","","","","1.194","","","","has coordinates","179489","2020-10-21","18:00:00",""
"4338672","11.8314","0.0012","13.5236","0.0014","31.565","0.003","90","","90","","90","","5050.5","0.9","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H40 Cl2 Fe N2 P2 -","- C18 H40 Cl2 Fe N2 P2 -","- C144 H320 Cl16 Fe8 N16 P16 -","8","1","","Fillman, Kathlyn L.; Bielinski, Elizabeth A.; Schmeier, Timothy J.; Nesvet, Jared C.; Woodruff, Tessa M.; Pan, Cassie J.; Takase, Michael K.; Hazari, Nilay; Neidig, Michael L.","Flexible Binding of PNP Pincer Ligands to Monomeric Iron Complexes.","Inorganic chemistry","2014","53","12","6066","6072","10.1021/ic5004275","","","0.71075","MoKα","","0.0907","0.062","","","0.097","0.1048","","","","","","1.157","","","","has coordinates,has disorder","179489","2020-10-21","18:00:00",""
"4338673","7.4096","0.0006","10.7588","0.0009","14.3864","0.0012","84.846","0.006","86.952","0.006","77.586","0.005","1114.84","0.16","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H37 Cl2 Fe N P2 -","- C16 H37 Cl2 Fe N P2 -","- C32 H74 Cl4 Fe2 N2 P4 -","2","1","","Fillman, Kathlyn L.; Bielinski, Elizabeth A.; Schmeier, Timothy J.; Nesvet, Jared C.; Woodruff, Tessa M.; Pan, Cassie J.; Takase, Michael K.; Hazari, Nilay; Neidig, Michael L.","Flexible Binding of PNP Pincer Ligands to Monomeric Iron Complexes.","Inorganic chemistry","2014","53","12","6066","6072","10.1021/ic5004275","","","0.71075","MoKα","","0.0678","0.0466","","","0.0825","0.0887","","","","","","1.045","","","","has coordinates,has disorder","179489","2020-10-21","18:00:00",""
"4338674","7.06003","0.00017","14.9363","0.0005","12.5084","0.0009","90","","91.448","0.006","90","","1318.6","0.11","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H45 Cl2 Fe N P2 -","- C20 H45 Cl2 Fe N P2 -","- C40 H90 Cl4 Fe2 N2 P4 -","2","1","","Fillman, Kathlyn L.; Bielinski, Elizabeth A.; Schmeier, Timothy J.; Nesvet, Jared C.; Woodruff, Tessa M.; Pan, Cassie J.; Takase, Michael K.; Hazari, Nilay; Neidig, Michael L.","Flexible Binding of PNP Pincer Ligands to Monomeric Iron Complexes.","Inorganic chemistry","2014","53","12","6066","6072","10.1021/ic5004275","","","1.54187","CuKα","","","0.0446","","","","0.1187","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338675","20.718","0.003","21.05","0.003","22.539","0.004","82.093","0.012","70.7","0.009","63.88","0.009","8329","2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H64 Li2 N2 O2 Si3 -","- C38 H64 Li2 N2 O2 Si3 -","- C304 H512 Li16 N16 O16 Si24 -","8","4","","Han, Zhengang; Li, Jianfeng; Hu, Hongfan; Zhang, Jianying; Cui, Chunming","Isolable 1,1-disubstituted silole dianion: a homogeneous two-electron-transfer reducing reagent.","Inorganic chemistry","2014","53","12","5890","5892","10.1021/ic500820v","","","0.71073","MoKα","","0.1194","0.0714","","","0.1482","0.1794","","","","","","1.03","","","","has coordinates","179489","2020-10-21","18:00:00",""
"4338676","11.813","0.002","15.658","0.003","16.713","0.003","84.56","0.03","79.12","0.03","81.76","0.03","2997.2","1","113.15","","113.15","","","","","","","","","3","P -1","-P 1","2","","","","- C129 H156 Si6 -","- C129 H156 Si6 -","- C129 H156 Si6 -","1","0.5","","Han, Zhengang; Li, Jianfeng; Hu, Hongfan; Zhang, Jianying; Cui, Chunming","Isolable 1,1-disubstituted silole dianion: a homogeneous two-electron-transfer reducing reagent.","Inorganic chemistry","2014","53","12","5890","5892","10.1021/ic500820v","","","0.71073","MoKα","","0.1437","0.0789","","","0.1976","0.241","","","","","","0.959","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338677","11.3307","0.0009","3.8078","0.0003","13.6298","0.0011","90","","106.154","0.003","90","","564.84","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","3816","sodium calcium niobium iron arsenide","","- As6 Ca2.56 Fe7.49 Na0.44 Nb0.51 -","- As6 Ca2.5556 Fe7.4921 Na0.44 Nb0.51 -","- As12 Ca5.1112 Fe14.9842 Na0.88 Nb1.02 -","2","0.5","","Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk","Framework structures of interconnected layers in calcium iron arsenides.","Inorganic chemistry","2014","53","12","6235","6240","10.1021/ic5007567","","","0.71073","MoKα","","0.1336","0.0813","","","0.1783","0.1971","","","","","","1.01","","","","has coordinates","287929","2023-12-01","12:10:07",""
"4338678","7.2734","0.0006","3.8149","0.0003","9.7577","0.0008","90","","100.704","0.0015","90","","266.04","0.04","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","153","calcium iron arsenide","","- As3 Ca Fe5 -","- As3 Ca Fe5 -","- As6 Ca2 Fe10 -","2","0.5","","Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk","Framework structures of interconnected layers in calcium iron arsenides.","Inorganic chemistry","2014","53","12","6235","6240","10.1021/ic5007567","","","0.71073","MoKα","","0.0369","0.0325","","","0.085","0.0943","","","","2.54","2.54","2.65","","","","has coordinates","287929","2023-12-01","12:10:09",""
"4338679","26.3627","0.0035","3.8699","0.0005","11.3299","0.0012","90","","90","","90","","1155.9","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","calcium iron palladium arsenide","","- As6 Ca3 Fe7.038 Pd1.962 -","- As6 Ca3 Fe7.038 Pd1.962 -","- As24 Ca12 Fe28.152 Pd7.848 -","4","0.5","","Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk","Framework structures of interconnected layers in calcium iron arsenides.","Inorganic chemistry","2014","53","12","6235","6240","10.1021/ic5007567","","","0.71073","MoKα","","0.0678","0.0382","","","0.0822","0.0846","","","","2.28","2.28","1.69","","","","has coordinates","287929","2023-12-01","12:10:09",""
"4338680","19.8555","0.0033","3.9461","0.0005","15.3433","0.002","90","","90","","90","","1202.2","0.3","293","2","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","calcium iron palladium arsenide","","- As6 Ca3 Fe4.741 Pd4.259 -","- As6 Ca3 Fe4.742 Pd4.258 -","- As24 Ca12 Fe18.968 Pd17.032 -","4","0.5","","Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk","Framework structures of interconnected layers in calcium iron arsenides.","Inorganic chemistry","2014","53","12","6235","6240","10.1021/ic5007567","","","0.71069","MoKα","","0.0658","0.0225","","","0.0439","0.0487","","","","1.01","1.01","0.76","","","","has coordinates","287929","2023-12-01","12:10:10",""
"4338681","11.3169","0.0005","3.8809","0.0002","13.7008","0.0006","90","","105.957","0.002","90","","578.55","0.05","293","","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","3816","calcium iron platinum arsenide","","- As6 Ca3 Fe7.705 Pt1.295 -","- As6 Ca3 Fe7.705 Pt1.295 -","- As12 Ca6 Fe15.41 Pt2.59 -","2","0.5","","Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk","Framework structures of interconnected layers in calcium iron arsenides.","Inorganic chemistry","2014","53","12","6235","6240","10.1021/ic5007567","","","0.71073","MoKα","","0.0315","0.0239","","","0.0663","0.0723","","","","1.89","1.89","1.87","","","","has coordinates","287929","2023-12-01","12:10:10",""
"4338682","26.435","0.003","3.9177","0.001","11.345","0.002","90","","90","","90","","1174.9","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3816","calcium iron platinum arsenide","","- As6 Ca3 Fe6.75 Pt2.25 -","- As6 Ca3 Fe6.71 Pt2.2803 -","- As24 Ca12 Fe26.84 Pt9.1212 -","4","0.5","","Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk","Framework structures of interconnected layers in calcium iron arsenides.","Inorganic chemistry","2014","53","12","6235","6240","10.1021/ic5007567","","","0.71069","MoKα","","0.1374","0.0507","","","0.1027","0.1131","","","","","","1.037","","","","has coordinates","287929","2023-12-01","12:10:10",""
"4338683","15.564","0.003","3.9679","0.0006","17.88","0.003","90","","108.748","0.005","90","","1045.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","calcium iron palladium arsenide","","- As10 Ca6 Fe7.879 Pd6.121 -","- As10 Ca6 Fe7.921 Pd6.079 -","- As20 Ca12 Fe15.842 Pd12.158 -","2","0.5","","Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk","Framework structures of interconnected layers in calcium iron arsenides.","Inorganic chemistry","2014","53","12","6235","6240","10.1021/ic5007567","","","0.71073","MoKα","","0.1247","0.0637","","","0.1416","0.1532","","","","2.7","2.7","2.09","","","","has coordinates","287929","2023-12-01","12:10:10",""
"4338684","15.4986","0.0006","3.9807","0.0002","17.8142","0.0008","90","","109.169","0.0012","90","","1038.12","0.08","293","","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","611310","calcium iron platinum arsenide","","- As10 Ca6 Fe7.627 Pt6.373 -","- As10 Ca6 Fe7.623 Pt6.377 -","- As20 Ca12 Fe15.246 Pt12.754 -","2","0.5","","Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk","Framework structures of interconnected layers in calcium iron arsenides.","Inorganic chemistry","2014","53","12","6235","6240","10.1021/ic5007567","","","0.71073","MoKα","","0.045","0.0296","","","0.0743","0.0813","","","","1.29","1.29","1.22","","","","has coordinates","287929","2023-12-01","12:10:10",""
"4338685","14.344","0.0009","14.688","0.001","27.293","0.0014","90","","98.02","0.011","90","","5694","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H49 Cl6 N10 O6.5 Ru2 -","- C50 H36 Cl6 N10 O6.5 Ru2 -","- C200 H144 Cl24 N40 O26 Ru8 -","4","1","","Rilak, Ana; Bratsos, Ioannis; Zangrando, Ennio; Kljun, Jakob; Turel, Iztok; Bugarčić, Zivadin D; Alessio, Enzo","New Water-Soluble Ruthenium(II) Terpyridine Complexes for Anticancer Activity: Synthesis, Characterization, Activation Kinetics, and Interaction with Guanine Derivatives.","Inorganic chemistry","2014","53","12","6113","6126","10.1021/ic5005215","","","0.7","synchrotron","","0.068","0.0599","","","0.1771","0.1844","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338686","10.2101","0.0012","11.1212","0.0015","13.4013","0.0018","89.42","0.011","72.275","0.013","70.412","0.013","1358.4","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C19 H24 Cl F12 N5 O P2 Ru S -","- C19 H24 Cl F12 N5 O P2 Ru S -","- C38 H48 Cl2 F24 N10 O2 P4 Ru2 S2 -","2","1","","Rilak, Ana; Bratsos, Ioannis; Zangrando, Ennio; Kljun, Jakob; Turel, Iztok; Bugarčić, Zivadin D; Alessio, Enzo","New Water-Soluble Ruthenium(II) Terpyridine Complexes for Anticancer Activity: Synthesis, Characterization, Activation Kinetics, and Interaction with Guanine Derivatives.","Inorganic chemistry","2014","53","12","6113","6126","10.1021/ic5005215","","","0.8856","synchrotron","","0.0373","0.0359","","","0.1005","0.1018","","","","","","1.038","","","","has coordinates","179489","2020-10-21","18:00:00",""
"4338687","12.6542","0.0003","14.7584","0.0003","18.2199","0.0004","72.481","0.002","83.636","0.002","82.552","0.002","3208.17","0.13","150","2","150","2","","","","","","","","8","P -1","-P 1","2","[(4'-chloro-terpyridine)(ethylenediamine)(dmso-S)ruthenium(II)] bis(triflate)","[(4'-chloro-2,2':6',2''-terpyridine)(1,2-diaminoethane) (dimethylsulfoxide-S)ruthenium(II)] bis(trifluoromethanesulfonate)","","- C21 H24 Cl F6 N5 O7 Ru S3 -","- C21 H24 Cl F6 N5 O7 Ru S3 -","- C84 H96 Cl4 F24 N20 O28 Ru4 S12 -","4","2","","Rilak, Ana; Bratsos, Ioannis; Zangrando, Ennio; Kljun, Jakob; Turel, Iztok; Bugarčić, Zivadin D; Alessio, Enzo","New Water-Soluble Ruthenium(II) Terpyridine Complexes for Anticancer Activity: Synthesis, Characterization, Activation Kinetics, and Interaction with Guanine Derivatives.","Inorganic chemistry","2014","53","12","6113","6126","10.1021/ic5005215","","","0.71073","MoKα","","0.0959","0.0636","","","0.1825","0.1976","","","","","","1.076","","","","has coordinates,has disorder","179489","2020-10-21","18:00:00",""
"4338688","20.1168","0.0005","8.8764","0.0002","21.5672","0.0005","90","","116.406","0.003","90","","3449.33","0.17","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[(4'-chloro-terpyridine)(bipyridine)(dmso-S)ruthenium(II)] bis(triflate)","[(4'-chloro-2,2':6',2''-terpyridine)(2,2'-bipyridine) (dimethylsulfoxide-S)ruthenium(II)] bis(trifluoromethanesulfonate)","","- C29 H24 Cl F6 N5 O7 Ru S3 -","- C29 H24 Cl F6 N5 O7 Ru S3 -","- C116 H96 Cl4 F24 N20 O28 Ru4 S12 -","4","1","","Rilak, Ana; Bratsos, Ioannis; Zangrando, Ennio; Kljun, Jakob; Turel, Iztok; Bugarčić, Zivadin D; Alessio, Enzo","New Water-Soluble Ruthenium(II) Terpyridine Complexes for Anticancer Activity: Synthesis, Characterization, Activation Kinetics, and Interaction with Guanine Derivatives.","Inorganic chemistry","2014","53","12","6113","6126","10.1021/ic5005215","","","1.54184","CuKα","","0.0773","0.0745","","","0.2288","0.2301","","","","","","1.145","","","","has coordinates","179489","2020-10-21","18:00:00",""
"4338710","25.605","0.004","15.317","0.003","15.29","0.003","90","","93.782","0.005","90","","5983.6","1.9","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H186 Ag4 B4 F16 N18 -","- C96 H186 Ag4 B4 F16 N18 -","- C192 H372 Ag8 B8 F32 N36 -","2","0.5","","Su, Padi Y. S.; Tseng, Jing C. W.; Lee, Kwang-Ming; Wang, Ju-Chun; Lin, Ivan J. B.","Tetranuclear silver(i) clusters showing high ionic conductivity in a bicontinuous cubic mesophase.","Inorganic chemistry","2014","53","12","5902","5910","10.1021/ic500627d","","","0.71073","MoKα","","0.1063","0.0431","","","0.1065","0.1308","","","","","","1.064","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338711","11.9309","0.0015","7.5551","0.0006","16.285","0.007","90","","111.4","0.03","90","","1366.7","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N4 S4 -","- C30 H26 N4 S4 -","- C60 H52 N8 S8 -","2","0.5","","Neeru,; Yadav, Dolly; Tiwari, Geeta; Singh, Jai Deo; Butcher, Raymond J.","Responsive Nature of 1,2,4,5-Tetrakis(2-pyridylthiomethyl)benzene Toward Group 12 Metal Nitrates: Activity of Coordinated Nitrate in Metal Complexes.","Inorganic chemistry","2014","53","12","5887","5889","10.1021/ic500746e","","","0.71073","MoKα","","0.0835","0.0426","","","0.1005","0.1095","","","","","","0.922","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338712","8.453","0.0012","8.8025","0.0015","11.204","0.004","73.4","0.02","68.06","0.02","63.15","0.016","683","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 N4 S4 -","- C30 H26 N4 S4 -","- C30 H26 N4 S4 -","1","0.5","","Neeru,; Yadav, Dolly; Tiwari, Geeta; Singh, Jai Deo; Butcher, Raymond J.","Responsive Nature of 1,2,4,5-Tetrakis(2-pyridylthiomethyl)benzene Toward Group 12 Metal Nitrates: Activity of Coordinated Nitrate in Metal Complexes.","Inorganic chemistry","2014","53","12","5887","5889","10.1021/ic500746e","","","0.71073","MoKα","","0.091","0.0465","","","0.1108","0.1224","","","","","","0.929","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338713","14.412","0.003","13.58","0.002","18.015","0.003","90","","90","","90","","3525.8","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H30 N8 O12 S4 -","- C30 H30 N8 O12 S4 -","- C120 H120 N32 O48 S16 -","4","0.5","","Neeru,; Yadav, Dolly; Tiwari, Geeta; Singh, Jai Deo; Butcher, Raymond J.","Responsive Nature of 1,2,4,5-Tetrakis(2-pyridylthiomethyl)benzene Toward Group 12 Metal Nitrates: Activity of Coordinated Nitrate in Metal Complexes.","Inorganic chemistry","2014","53","12","5887","5889","10.1021/ic500746e","","","0.71073","MoKα","","0.075","0.0554","","","0.1398","0.1513","","","","","","1.031","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338714","30.063","0.005","8.5858","0.0016","18.879","0.003","90","","117.921","0.002","90","","4305.7","1.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N10 O12 S4 Zn2 -","- C34 H32 N10 O12 S4 Zn2 -","- C136 H128 N40 O48 S16 Zn8 -","4","0.5","","Neeru,; Yadav, Dolly; Tiwari, Geeta; Singh, Jai Deo; Butcher, Raymond J.","Responsive Nature of 1,2,4,5-Tetrakis(2-pyridylthiomethyl)benzene Toward Group 12 Metal Nitrates: Activity of Coordinated Nitrate in Metal Complexes.","Inorganic chemistry","2014","53","12","5887","5889","10.1021/ic500746e","","","0.71073","MoKα","","0.0493","0.0366","","","0.0905","0.096","","","","","","1.03","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338715","24.0666","0.0007","8.7167","0.0004","17.261","0.0007","90","","90","","90","","3621","0.2","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H26 Cd2 N8 O12 S4 -","- C30 H26 Cd2 N8 O12 S4 -","- C120 H104 Cd8 N32 O48 S16 -","4","0.5","","Neeru,; Yadav, Dolly; Tiwari, Geeta; Singh, Jai Deo; Butcher, Raymond J.","Responsive Nature of 1,2,4,5-Tetrakis(2-pyridylthiomethyl)benzene Toward Group 12 Metal Nitrates: Activity of Coordinated Nitrate in Metal Complexes.","Inorganic chemistry","2014","53","12","5887","5889","10.1021/ic500746e","","","1.54184","CuKα","","0.0781","0.0626","","","0.1627","0.1765","","","","","","1.042","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338716","23.8663","0.0009","8.9741","0.0006","16.8848","0.0007","90","","90","","90","","3616.4","0.3","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H26 Hg2 N8 O12 S4 -","- C30 H26 Hg2 N8 O12 S4 -","- C120 H104 Hg8 N32 O48 S16 -","4","0.5","","Neeru,; Yadav, Dolly; Tiwari, Geeta; Singh, Jai Deo; Butcher, Raymond J.","Responsive Nature of 1,2,4,5-Tetrakis(2-pyridylthiomethyl)benzene Toward Group 12 Metal Nitrates: Activity of Coordinated Nitrate in Metal Complexes.","Inorganic chemistry","2014","53","12","5887","5889","10.1021/ic500746e","","","1.54178","CuKα","","0.1213","0.1029","","","0.2353","0.2458","","","","","","1.642","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338717","13.6473","0.0007","13.6473","0.0007","29.0172","0.0019","90","","90","","120","","4680.4","0.5","103","","103","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H40 N9 O14 Tb -","- C21 H24 N9 O14 Tb -","- C126 H144 N54 O84 Tb6 -","6","0.333333","","Yamauchi, Suguru; Fujinami, Takeshi; Matsumoto, Naohide; Mochida, Naotaka; Ishida, Takayuki; Sunatsuki, Yukinari; Watanabe, Masayuki; Tsuchimoto, Masanobu; Coletti, Cecilia; Re, Nazzareno","Synthesis, Structure, Luminescence, and Magnetic Properties of a Single-Ion Magnet ""mer""-[Tris(N-[(imidazol-4-yl)-methylidene]-dl-phenylalaninato)terbium(III) and Related ""fac""-dl-Alaninato Derivative.","Inorganic chemistry","2014","53","12","5961","5971","10.1021/ic5001599","","","0.71075","MoKα","","","0.0621","","","","0.172","","","","","","1.002","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338718","22.7959","0.0004","22.7959","0.0004","35.2149","0.0007","90","","90","","90","","18299.5","0.6","108","","108","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C39 H53.5 N9 O14.75 Tb -","- C39 H36 N9 O14.75 Tb -","- C624 H576 N144 O236 Tb16 -","16","1","","Yamauchi, Suguru; Fujinami, Takeshi; Matsumoto, Naohide; Mochida, Naotaka; Ishida, Takayuki; Sunatsuki, Yukinari; Watanabe, Masayuki; Tsuchimoto, Masanobu; Coletti, Cecilia; Re, Nazzareno","Synthesis, Structure, Luminescence, and Magnetic Properties of a Single-Ion Magnet ""mer""-[Tris(N-[(imidazol-4-yl)-methylidene]-dl-phenylalaninato)terbium(III) and Related ""fac""-dl-Alaninato Derivative.","Inorganic chemistry","2014","53","12","5961","5971","10.1021/ic5001599","","","0.71075","MoKα","","","0.0678","","","","0.1908","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338719","25.432","0.004","27.707","0.004","34.2","0.005","90","","90","","90","","24099","6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C225 H300 B Co6 F4 Fe4 N50 O29 -","- C225 H269 B Co6 F4 Fe4 N50 O29 -","- C900 H1076 B4 Co24 F16 Fe16 N200 O116 -","4","1","","Shiga, Takuya; Tetsuka, Tamaki; Sakai, Kanae; Sekine, Yoshihiro; Nihei, Masayuki; Newton, Graham N.; Oshio, Hiroki","Cyanide-bridged decanuclear cobalt-iron cage.","Inorganic chemistry","2014","53","12","5899","5901","10.1021/ic500964m","","","0.71073","MoKα","","0.1645","0.0854","","","0.1972","0.2369","","","","","","1.065","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338720","22.959","0.012","29.15","0.015","34.113","0.018","90","","90","","90","","22830","2","291","2","291","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C217 H260 B Co6 F4 Fe4 N50 O17 -","- C217 H208 B Co6 F4 Fe4 N50 O16 -","- C868 H832 B4 Co24 F16 Fe16 N200 O64 -","4","1","","Shiga, Takuya; Tetsuka, Tamaki; Sakai, Kanae; Sekine, Yoshihiro; Nihei, Masayuki; Newton, Graham N.; Oshio, Hiroki","Cyanide-bridged decanuclear cobalt-iron cage.","Inorganic chemistry","2014","53","12","5899","5901","10.1021/ic500964m","","","0.71073","MoKα","","0.3009","0.1352","","","0.2993","0.3468","","","","","","1.243","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338721","14.221","0.004","15.845","0.005","14.164","0.004","90","","111.228","0.004","90","","2975","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 Fe2 N3 -","- C40 H31 Fe2 N3 -","- C160 H124 Fe8 N12 -","4","1","","Ziegler, Christopher J.; Chanawanno, Kullapa; Hasheminsasab, Abed; Zatsikha, Yuriy V.; Maligaspe, Eranda; Nemykin, Victor N.","Synthesis, Redox Properties, and Electronic Coupling in the Diferrocene Aza-dipyrromethene and azaBODIPY Donor-Acceptor Dyad with Direct Ferrocene-α-Pyrrole Bond.","Inorganic chemistry","2014","53","9","4751","4755","10.1021/ic500526k","","","0.71073","MoKα","","0.0679","0.0451","","","0.1042","0.1192","","","","","","1.006","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338722","12.9677","0.0004","14.0822","0.0004","18.6401","0.0006","89.839","0.001","81.11","0.001","66.137","0.001","3068.83","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 B F2 Fe2 N3 -","- C40 H30 B F2 Fe2 N3 -","- C160 H120 B4 F8 Fe8 N12 -","4","2","","Ziegler, Christopher J.; Chanawanno, Kullapa; Hasheminsasab, Abed; Zatsikha, Yuriy V.; Maligaspe, Eranda; Nemykin, Victor N.","Synthesis, Redox Properties, and Electronic Coupling in the Diferrocene Aza-dipyrromethene and azaBODIPY Donor-Acceptor Dyad with Direct Ferrocene-α-Pyrrole Bond.","Inorganic chemistry","2014","53","9","4751","4755","10.1021/ic500526k","","","1.54178","CuKα","","0.0377","0.0342","","","0.087","0.0893","","","","","","1.032","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338723","8.58","0.0005","8.8986","0.0006","11.7367","0.0007","85.428","0.005","87.998","0.006","63.632","0.005","800.31","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Co O30 Sm2 -","- C20 H4 Co O30 Sm2 -","- C20 H4 Co O30 Sm2 -","1","0.5","","Díaz-Gallifa, Pau; Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Two-Dimensional 3d-4f Heterometallic Coordination Polymers: Syntheses, Crystal Structures, and Magnetic Properties of Six New Co(II)-Ln(III) Compounds.","Inorganic chemistry","2014","53","12","6299","6308","10.1021/ic5008582","","","0.71073","MoKα","","0.0369","0.0292","","","0.0669","0.0693","","","","","","1.088","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338724","8.5403","0.0004","8.8537","0.0006","11.7225","0.0005","85.439","0.003","87.941","0.003","63.764","0.003","792.54","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Co Gd2 O30 -","- C20 H4 Co Gd2 O30 -","- C20 H4 Co Gd2 O30 -","1","0.5","","Díaz-Gallifa, Pau; Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Two-Dimensional 3d-4f Heterometallic Coordination Polymers: Syntheses, Crystal Structures, and Magnetic Properties of Six New Co(II)-Ln(III) Compounds.","Inorganic chemistry","2014","53","12","6299","6308","10.1021/ic5008582","","x-ray","0.71073","MoKα","","0.0289","0.0248","","","0.0604","0.062","","","","","","1.121","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338725","8.5563","0.0002","8.8685","0.0001","11.7221","0.0002","85.451","0.003","88.012","0.003","63.791","0.003","795.53","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Co Eu2 O30 -","- C20 H4 Co Eu2 O30 -","- C20 H4 Co Eu2 O30 -","1","0.5","","Díaz-Gallifa, Pau; Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Two-Dimensional 3d-4f Heterometallic Coordination Polymers: Syntheses, Crystal Structures, and Magnetic Properties of Six New Co(II)-Ln(III) Compounds.","Inorganic chemistry","2014","53","12","6299","6308","10.1021/ic5008582","","x-ray","0.71073","MoKα","","0.036","0.0281","","","0.0621","0.0643","","","","","","1.058","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338726","8.5233","0.0006","8.8297","0.0007","11.7246","0.0005","85.427","0.004","87.955","0.004","63.941","0.005","790.15","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Co O30 Tb2 -","- C20 H4 Co O30 Tb2 -","- C20 H4 Co O30 Tb2 -","1","0.5","","Díaz-Gallifa, Pau; Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Two-Dimensional 3d-4f Heterometallic Coordination Polymers: Syntheses, Crystal Structures, and Magnetic Properties of Six New Co(II)-Ln(III) Compounds.","Inorganic chemistry","2014","53","12","6299","6308","10.1021/ic5008582","","","0.71073","MoKα","","0.052","0.0381","","","0.082","0.0879","","","","","","1.081","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338727","15.159","0.003","8.666","0.0017","15.744","0.003","90","","104.8","0.03","90","","1999.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 Co Eu2 O36 -","- C20 H4 Co Eu2 O36 -","- C40 H8 Co2 Eu4 O72 -","2","0.5","","Díaz-Gallifa, Pau; Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Two-Dimensional 3d-4f Heterometallic Coordination Polymers: Syntheses, Crystal Structures, and Magnetic Properties of Six New Co(II)-Ln(III) Compounds.","Inorganic chemistry","2014","53","12","6299","6308","10.1021/ic5008582","","x-ray","0.7256","synchrotron","","0.0821","0.0658","","","0.2012","0.2159","","","","","","1.055","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338728","15.241","0.0009","8.711","0.0003","15.788","0.001","90","","104.621","0.003","90","","2028.21","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 Co Nd2 O36 -","- C20 H4 Co Nd2 O36 -","- C40 H8 Co2 Nd4 O72 -","2","0.5","","Díaz-Gallifa, Pau; Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Two-Dimensional 3d-4f Heterometallic Coordination Polymers: Syntheses, Crystal Structures, and Magnetic Properties of Six New Co(II)-Ln(III) Compounds.","Inorganic chemistry","2014","53","12","6299","6308","10.1021/ic5008582","","x-ray","0.71073","MoKα","","0.0888","0.0572","","","0.1579","0.1795","","","","","","1.104","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338729","3.978","0.004","6.094","0.006","8.903","0.008","90","","90","","90","","215.8","0.4","296","2","296","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C Co2 Nd2 Si -","- C Co2 Nd2 Si -","- C2 Co4 Nd4 Si2 -","2","0.125","","Zhou, Sixuan; Mishra, Trinath; Wang, Man; Shatruk, Michael; Cao, Huibo; Latturner, Susan E.","Synthesis, Crystal Structure, and Magnetic Properties of Novel Intermetallic Compounds R2Co2SiC (R = Pr, Nd).","Inorganic chemistry","2014","53","12","6141","6148","10.1021/ic5005984","","","0.71073","MoKα","","0.0305","0.0302","","","0.0785","0.0788","","","","","","1.294","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338730","4.0027","0.0011","6.1063","0.0017","8.989","0.003","90","","90","","90","","219.71","0.11","296","2","296","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C Co2 Pr2 Si -","- C Co2 Pr2 Si -","- C2 Co4 Pr4 Si2 -","2","0.125","","Zhou, Sixuan; Mishra, Trinath; Wang, Man; Shatruk, Michael; Cao, Huibo; Latturner, Susan E.","Synthesis, Crystal Structure, and Magnetic Properties of Novel Intermetallic Compounds R2Co2SiC (R = Pr, Nd).","Inorganic chemistry","2014","53","12","6141","6148","10.1021/ic5005984","","","0.71073","MoKα","","0.0237","0.022","","","0.054","0.0546","","","","","","1.122","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338731","12.133","0.003","12.283","0.003","13.281","0.003","63.674","0.004","63.441","0.004","60.698","0.005","1478.5","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Cl2 N4 Ni O6 -","- C30 H34 Cl2 N4 Ni O6 -","- C60 H68 Cl4 N8 Ni2 O12 -","2","1","","Hartley, Jennifer M.; Ip, Chung-Man; Forrest, Gregory C. H.; Singh, Kuldip; Gurman, Stephen J.; Ryder, Karl S.; Abbott, Andrew P.; Frisch, Gero","EXAFS Study into the Speciation of Metal Salts Dissolved in Ionic Liquids and Deep Eutectic Solvents.","Inorganic chemistry","2014","53","12","6280","6288","10.1021/ic500824r","","","0.71073","MoKα","","0.1242","0.0725","","","0.1295","0.1458","","","","","","0.887","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338732","32.664","0.002","11.655","0.001","21.955","0.002","90","","101.715","0.006","90","","8184.1","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H80 Cl0 Cu N8 O16 -","- C76 H93 Cl Cu N8 O18 -","- C304 H372 Cl4 Cu4 N32 O72 -","4","1","","Gout, Jérôme; Višnjevac, Aleksandar; Rat, Stéphanie; Parrot, Arnaud; Hessani, Assia; Bistri, Olivia; Le Poul, Nicolas; Le Mest, Yves; Reinaud, Olivia","Supramolecular Control of a Mononuclear Biomimetic Copper(II) Center: Bowl Complexes vs Funnel Complexes.","Inorganic chemistry","2014","53","12","6224","6234","10.1021/ic500740r","","","1.54179","CuKα","","0.338","0.1911","","","0.4506","0.5558","","","","","","1.21","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338733","15.209","0.0004","15.2245","0.0004","15.8758","0.0004","92.427","0.001","99.183","0.001","90.052","0.001","3625.55","0.16","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 N4 O8 Zn2 -","- C38 H24 N4 O8 Zn2 -","- C76 H48 N8 O16 Zn4 -","2","1","","Sikdar, Nivedita; Hazra, Arpan; Maji, Tapas Kumar","Stoichiometry-Controlled Two Flexible Interpenetrated Frameworks: Higher CO2 Uptake in a Nanoscale Counterpart Supported by Accelerated Adsorption Kinetics.","Inorganic chemistry","2014","53","12","5993","6002","10.1021/ic500234r","","","0.71073","MoKα","","0.0846","0.0645","","","0.216","0.2371","","","","","","1.126","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338734","14.1046","0.0005","19.926","0.0007","25.9898","0.0009","90","","90.005","0.001","90","","7304.4","0.4","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H32 N5 O13 Zn3 -","- C57 H32 N5 O13 Zn3 -","- C228 H128 N20 O52 Zn12 -","4","1","","Sikdar, Nivedita; Hazra, Arpan; Maji, Tapas Kumar","Stoichiometry-Controlled Two Flexible Interpenetrated Frameworks: Higher CO2 Uptake in a Nanoscale Counterpart Supported by Accelerated Adsorption Kinetics.","Inorganic chemistry","2014","53","12","5993","6002","10.1021/ic500234r","","","0.71073","MoKα","","0.114","0.0672","","","0.1933","0.232","","","","","","1.033","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338735","19.3268","0.0009","19.3522","0.0003","11.0599","0.0005","90","","132.208","0.007","90","","3064","0.4","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C54 H40 Cl3 N10 O14 Ru2 -","- C54 H40 Cl3 N10 O14 Ru2 -","- C108 H80 Cl6 N20 O28 Ru4 -","2","0.5","","Mandal, Abhishek; Agarwala, Hemlata; Ray, Ritwika; Plebst, Sebastian; Mobin, Shaikh M.; Priego, José Luis; Jiménez-Aparicio, Reyes; Kaim, Wolfgang; Lahiri, Goutam Kumar","Sensitivity of the valence structure in diruthenium complexes as a function of terminal and bridging ligands.","Inorganic chemistry","2014","53","12","6082","6093","10.1021/ic500452h","","","1.5418","CuKα","","0.0535","0.0506","","","0.1436","0.1466","","","","","","1.037","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338736","10.8407","0.0005","11.9348","0.0006","14.6625","0.0006","97.885","0.004","107.085","0.004","101.924","0.004","1734.04","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 N2 O10 Ru2 -","- C34 H36 N2 O10 Ru2 -","- C68 H72 N4 O20 Ru4 -","2","1","","Mandal, Abhishek; Agarwala, Hemlata; Ray, Ritwika; Plebst, Sebastian; Mobin, Shaikh M.; Priego, José Luis; Jiménez-Aparicio, Reyes; Kaim, Wolfgang; Lahiri, Goutam Kumar","Sensitivity of the valence structure in diruthenium complexes as a function of terminal and bridging ligands.","Inorganic chemistry","2014","53","12","6082","6093","10.1021/ic500452h","","","0.71073","MoKα","","0.0614","0.047","","","0.1132","0.1254","","","","","","1.075","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338737","15.18","0.0012","17.2648","0.001","14.431","0.0013","90","","90","","90","","3782.1","0.5","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H36 N2 O10 Ru2 -","- C34 H36 N2 O10 Ru2 -","- C136 H144 N8 O40 Ru8 -","4","0.5","","Mandal, Abhishek; Agarwala, Hemlata; Ray, Ritwika; Plebst, Sebastian; Mobin, Shaikh M.; Priego, José Luis; Jiménez-Aparicio, Reyes; Kaim, Wolfgang; Lahiri, Goutam Kumar","Sensitivity of the valence structure in diruthenium complexes as a function of terminal and bridging ligands.","Inorganic chemistry","2014","53","12","6082","6093","10.1021/ic500452h","","","0.71073","MoKα","","0.1278","0.1048","","","0.2274","0.2424","","","","","","1.083","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338738","17.49","0.004","8.8149","0.0018","19.067","0.004","90","","110.601","0.004","90","","2751.6","1","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C9 H37 Cl Fe N3 O22 P3 Sm -","- C9 H37 Cl Fe N3 O22 P3 Sm -","- C36 H148 Cl4 Fe4 N12 O88 P12 Sm4 -","4","1","","Su, Yan-Hui; Bao, Song Song; Zheng, Li-Min","Heterometallic 3d-4f Coordination Polymers Based on 1,4,7-Triazacyclononane-1,4,7-triyl-tris(methylenephosphonate).","Inorganic chemistry","2014","53","12","6042","6047","10.1021/ic500356b","","","0.71073","MoKα","","0.0634","0.0444","","","0.0917","0.0944","","","","","","0.975","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338739","17.49","0.005","8.866","0.003","19.076","0.006","90","","110.661","0.004","90","","2767.8","1.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C9 H37 Cl Fe N3 Nd O22 P3 -","- C9 H37 Cl Fe N3 Nd O22 P3 -","- C36 H148 Cl4 Fe4 N12 Nd4 O88 P12 -","4","1","","Su, Yan-Hui; Bao, Song Song; Zheng, Li-Min","Heterometallic 3d-4f Coordination Polymers Based on 1,4,7-Triazacyclononane-1,4,7-triyl-tris(methylenephosphonate).","Inorganic chemistry","2014","53","12","6042","6047","10.1021/ic500356b","","","0.71073","MoKα","","0.0742","0.0441","","","0.0896","0.1017","","","","","","1.003","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338740","9.332","0.002","9.781","0.002","14.514","0.004","78.379","0.004","80.923","0.004","70.905","0.004","1220.2","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C9 H30 Cl Cu La N3 O18 P3 -","- C9 H30 Cl Cu La N3 O18 P3 -","- C18 H60 Cl2 Cu2 La2 N6 O36 P6 -","2","1","","Su, Yan-Hui; Bao, Song Song; Zheng, Li-Min","Heterometallic 3d-4f Coordination Polymers Based on 1,4,7-Triazacyclononane-1,4,7-triyl-tris(methylenephosphonate).","Inorganic chemistry","2014","53","12","6042","6047","10.1021/ic500356b","","","0.71073","MoKα","","0.0451","0.0362","","","0.0766","0.078","","","","","","0.992","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338741","10.0082","0.0014","21.721","0.003","14.825","0.002","90","","108.029","0.002","90","","3064.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42 H35 Cu8 N9 O104 W22 -","- C42 H35 Cu8 N9 O104 W22 -","- C42 H35 Cu8 N9 O104 W22 -","1","0.25","","Han, Qiuxia; Sun, Xueping; Li, Jie; Ma, Pengtao; Niu, Jingyang","Novel Isopolyoxotungstate [H2W11O38](8-) Based Metal Organic Framework: As Lewis Acid Catalyst for Cyanosilylation of Aromatic Aldehydes.","Inorganic chemistry","2014","53","12","6107","6112","10.1021/ic5004879","","","0.71073","MoKα","","0.0604","0.0411","","","0.1111","0.1187","","","","","","1.009","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338742","14.6947","0.0009","37.198","0.002","16.7241","0.0011","90","","90.03","0.002","90","","9141.6","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H110 Cl Gd3 Mn2 N10 O33 -","- C82 H110 Cl Gd3 Mn2 N10 O33 -","- C328 H440 Cl4 Gd12 Mn8 N40 O132 -","4","1","","Bag, Prasenjit; Chakraborty, Amit; Rogez, Guillaume; Chandrasekhar, Vadapalli","Pentanuclear Heterometallic {Mn(III)2Ln3} (Ln = Gd, Dy, Tb, Ho) Assemblies in an Open-Book Type Structural Topology: Appearance of Slow Relaxation of Magnetization in the Dy(III) and Ho(III) Analogues.","Inorganic chemistry","2014","53","13","6524","6533","10.1021/ic4028833","","","0.71073","MoKα","","0.0713","0.0451","","","0.0952","0.1043","","","","","","1.036","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338743","14.6979","0.0014","37.163","0.003","16.6855","0.0015","90","","90.24","0.002","90","","9113.8","1.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H110 Cl Dy3 Mn2 N10 O33 -","- C82 H110 Cl Dy3 Mn2 N10 O33 -","- C328 H440 Cl4 Dy12 Mn8 N40 O132 -","4","1","","Bag, Prasenjit; Chakraborty, Amit; Rogez, Guillaume; Chandrasekhar, Vadapalli","Pentanuclear Heterometallic {Mn(III)2Ln3} (Ln = Gd, Dy, Tb, Ho) Assemblies in an Open-Book Type Structural Topology: Appearance of Slow Relaxation of Magnetization in the Dy(III) and Ho(III) Analogues.","Inorganic chemistry","2014","53","13","6524","6533","10.1021/ic4028833","","","0.71073","MoKα","","0.0646","0.0417","","","0.0903","0.0978","","","","","","1.032","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338744","14.6942","0.0017","37.104","0.004","16.773","0.002","90","","90.235","0.003","90","","9144.8","1.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H102 Cl Mn2 N10 O31 Tb3 -","- C80 H102 Cl Mn2 N10 O31 Tb3 -","- C320 H408 Cl4 Mn8 N40 O124 Tb12 -","4","1","","Bag, Prasenjit; Chakraborty, Amit; Rogez, Guillaume; Chandrasekhar, Vadapalli","Pentanuclear Heterometallic {Mn(III)2Ln3} (Ln = Gd, Dy, Tb, Ho) Assemblies in an Open-Book Type Structural Topology: Appearance of Slow Relaxation of Magnetization in the Dy(III) and Ho(III) Analogues.","Inorganic chemistry","2014","53","13","6524","6533","10.1021/ic4028833","","","0.71073","MoKα","","0.0601","0.0509","","","0.1235","0.1287","","","","","","1.151","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338745","14.657","0.005","37.027","0.005","16.65","0.005","90","0.005","90.307","0.005","90","0.005","9036","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H102 Cl Ho3 Mn2 N10 O31 -","- C80 H102 Cl Ho3 Mn2 N10 O31 -","- C320 H408 Cl4 Ho12 Mn8 N40 O124 -","4","1","","Bag, Prasenjit; Chakraborty, Amit; Rogez, Guillaume; Chandrasekhar, Vadapalli","Pentanuclear Heterometallic {Mn(III)2Ln3} (Ln = Gd, Dy, Tb, Ho) Assemblies in an Open-Book Type Structural Topology: Appearance of Slow Relaxation of Magnetization in the Dy(III) and Ho(III) Analogues.","Inorganic chemistry","2014","53","13","6524","6533","10.1021/ic4028833","","","0.71069","MoKα","","0.1126","0.0629","","","0.1494","0.1869","","","","","","1.037","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338746","6.97527","0.00014","11.7281","0.0002","23.4507","0.0004","90","","98.813","0.0008","90","","1895.77","0.06","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","barium ferrite","- Ba Fe O2.5 -","- Ba Fe O2.5 -","- Ba28 Fe28 O70 -","28","7","","Clemens, Oliver; Gröting, Melanie; Witte, Ralf; Perez-Mato, J Manuel; Loho, Christoph; Berry, Frank J.; Kruk, Robert; Knight, Kevin S.; Wright, Adrian J.; Hahn, Horst; Slater, Peter R.","Crystallographic and Magnetic Structure of the Perovskite-Type Compound BaFeO2.5: Unrivaled Complexity in Oxygen Vacancy Ordering.","Inorganic chemistry","2014","53","12","5911","5921","10.1021/ic402988y","","","1.54176","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338747","9.0392","0.0012","16.5769","0.0013","16.998","0.002","90","","97.891","0.009","90","","2522.9","0.5","100","","100","2","","","","","","","tetrahydrofuran, hexane","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 Cl Fe Ni S4 -","- C21 H37 Cl Fe Ni S4 -","- C84 H148 Cl4 Fe4 Ni4 S16 -","4","1","","Weber, Katharina; Erdem, Ozlen F.; Bill, Eckhard; Weyhermüller, Thomas; Lubitz, Wolfgang","Modeling the Active Site of [NiFe] Hydrogenases and the [NiFeu] Subsite of the C-Cluster of Carbon Monoxide Dehydrogenases: Low-Spin Iron(II) Versus High-Spin Iron(II).","Inorganic chemistry","2014","53","12","6329","6337","10.1021/ic500910z","","","0.71073","MoKα","","0.0325","0.0265","","","0.0654","0.0696","","","","","","1.121","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338748","28.279","0.004","14.235","0.002","15.978","0.002","90","","106.579","0.002","90","","6164.6","1.5","100","2","100","2","","","","","","","tetrahydrofuran, hexane","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H43 Cl Fe Ni O0.5 S4 -","- C28 H43 Cl Fe Ni O0.5 S4 -","- C224 H344 Cl8 Fe8 Ni8 O4 S32 -","8","1","","Weber, Katharina; Erdem, Ozlen F.; Bill, Eckhard; Weyhermüller, Thomas; Lubitz, Wolfgang","Modeling the Active Site of [NiFe] Hydrogenases and the [NiFeu] Subsite of the C-Cluster of Carbon Monoxide Dehydrogenases: Low-Spin Iron(II) Versus High-Spin Iron(II).","Inorganic chemistry","2014","53","12","6329","6337","10.1021/ic500910z","","","0.71073","MoKα","","0.0479","0.0276","","","0.0545","0.0615","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338749","12.339","0.002","11.769","0.002","19.994","0.003","90","","107.088","0.002","90","","2775.3","0.8","100","2","100","2","","","","","","","tetrahydrofuran","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H41 Cl Fe Ni S4 -","- C25 H41 Cl Fe Ni S4 -","- C100 H164 Cl4 Fe4 Ni4 S16 -","4","1","","Weber, Katharina; Erdem, Ozlen F.; Bill, Eckhard; Weyhermüller, Thomas; Lubitz, Wolfgang","Modeling the Active Site of [NiFe] Hydrogenases and the [NiFeu] Subsite of the C-Cluster of Carbon Monoxide Dehydrogenases: Low-Spin Iron(II) Versus High-Spin Iron(II).","Inorganic chemistry","2014","53","12","6329","6337","10.1021/ic500910z","","","0.71073","MoKα","","0.0609","0.0441","","","0.0913","0.0984","","","","","","1.195","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338750","8.1676","0.0012","15.703","0.002","29.036","0.004","90","","92.599","0.003","90","","3720.2","0.9","100","2","100","2","","","","","","","tetrahydrofuran, hexane","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H55 Cl Fe Ni O1.5 S4 -","- C36 H55 Cl Fe Ni O1.5 S4 -","- C144 H220 Cl4 Fe4 Ni4 O6 S16 -","4","1","","Weber, Katharina; Erdem, Ozlen F.; Bill, Eckhard; Weyhermüller, Thomas; Lubitz, Wolfgang","Modeling the Active Site of [NiFe] Hydrogenases and the [NiFeu] Subsite of the C-Cluster of Carbon Monoxide Dehydrogenases: Low-Spin Iron(II) Versus High-Spin Iron(II).","Inorganic chemistry","2014","53","12","6329","6337","10.1021/ic500910z","","","0.71073","MoKα","","0.0636","0.0514","","","0.1253","0.1333","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338751","7.3351","0.0003","13.5173","0.0007","19.1874","0.0009","90","","90.852","0.001","90","","1902.23","0.15","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br N4 O4 Re -","- C18 H16 Br N4 O4 Re -","- C72 H64 Br4 N16 O16 Re4 -","4","1","","Bertrand, Hélène C; Clède, Sylvain; Guillot, Régis; Lambert, François; Policar, Clotilde","Luminescence modulations of rhenium tricarbonyl complexes induced by structural variations.","Inorganic chemistry","2014","53","12","6204","6223","10.1021/ic5007007","","x-ray","0.71073","MoKα","","0.0693","0.0555","","","0.1172","0.1225","","","","","","1.111","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338752","12.3407","0.0003","7.14979","0.00017","10.8908","0.0003","90","","111.598","0.0018","90","","893.47","0.04","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Sr0.7K0.3SiO2.85","- K0.78 O8.61 Si3 Sr2.22 -","- K0.7787 O8.60605 Si3 Sr2.2213 -","- K3.1148 O34.4242 Si12 Sr8.8852 -","4","0.5","","Xu, Jungu; Wang, Xiaoming; Fu, Hui; Brown, Craig M.; Jing, Xiping; Liao, Fuhui; Lu, Fengqi; Li, Xiaohui; Kuang, Xiaojun; Wu, Mingmei","Solid-State (29)Si NMR and Neutron-Diffraction Studies of Sr0.7K0.3SiO2.85 Oxide Ion Conductors.","Inorganic chemistry","2014","53","13","6962","6968","10.1021/ic500891j","","","1.5403","","","","","","","","","","","","","","","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338753","17.4661","0.0016","12.7435","0.0011","7.2505","0.0006","90","","90","","90","","1613.8","0.2","298","2","298","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C10 H14 Cu I N4 -","- C10 H14 Cu I N4 -","- C40 H56 Cu4 I4 N16 -","4","0.5","","He, Jun; Duan, Jingjing; Shi, Huatian; Huang, Jian; Huang, Jiahong; Yu, Lin; Zeller, Matthias; Hunter, Allen D.; Xu, Zhengtao","Immobilization of Volatile and Corrosive Iodine Monochloride (ICl) and I2 Reagents in a Stable Metal-Organic Framework.","Inorganic chemistry","2014","53","13","6837","6843","10.1021/ic500677t","","","0.71073","MoKα","","0.0274","0.0257","","","0.0639","0.0648","","","","","","1.085","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338754","17.0405","0.0011","13.6295","0.0011","7.4617","0.0005","90","","90","","90","","1733","0.2","298","2","298","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C10 H14 Cu I3 N4 -","- C10 H14 Cu I3 N4 -","- C40 H56 Cu4 I12 N16 -","4","0.5","","He, Jun; Duan, Jingjing; Shi, Huatian; Huang, Jian; Huang, Jiahong; Yu, Lin; Zeller, Matthias; Hunter, Allen D.; Xu, Zhengtao","Immobilization of Volatile and Corrosive Iodine Monochloride (ICl) and I2 Reagents in a Stable Metal-Organic Framework.","Inorganic chemistry","2014","53","13","6837","6843","10.1021/ic500677t","","","0.71073","MoKα","","0.0997","0.0591","","","0.1122","0.1283","","","","","","1.038","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338755","17.1","0.008","13.303","0.006","7.297","0.003","90","","90","","90","","1659.9","1.3","100","2","100","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C10 H14 Cl Cu I2 N4 -","- C10 H14 Cl Cu I2 N4 -","- C40 H56 Cl4 Cu4 I8 N16 -","4","0.5","","He, Jun; Duan, Jingjing; Shi, Huatian; Huang, Jian; Huang, Jiahong; Yu, Lin; Zeller, Matthias; Hunter, Allen D.; Xu, Zhengtao","Immobilization of Volatile and Corrosive Iodine Monochloride (ICl) and I2 Reagents in a Stable Metal-Organic Framework.","Inorganic chemistry","2014","53","13","6837","6843","10.1021/ic500677t","","","0.71073","MoKα","","0.0761","0.0597","","","0.1443","0.1571","","","","","","1.085","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338756","14.0419","0.0016","14.3165","0.0016","24.551","0.003","90","","104.253","0.002","90","","4783.6","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H78 Ce6 Mn4 N16 O44 -","- C62 H78 Ce6 Mn4 N16 O44 -","- C124 H156 Ce12 Mn8 N32 O88 -","2","0.5","","Lampropoulos, Christos; Thuijs, Annaliese E.; Mitchell, Kylie J.; Abboud, Khalil A.; Christou, George","Manganese/Cerium Clusters Spanning a Range of Oxidation Levels and CeMn8, Ce2Mn4, and Ce6Mn4 Nuclearities: Structural, Magnetic, and EPR Properties.","Inorganic chemistry","2014","53","13","6805","6816","10.1021/ic500617f","","","0.71073","MoKα","","0.1011","0.0717","","","0.1676","0.1795","","","","","","1.118","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338757","17.2684","0.0011","17.5059","0.0011","23.2553","0.0014","79.51","0.001","76.19","0.001","62.78","0.001","6049.1","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88.5 H170.5 Ce Mn8 N5.5 O37.5 -","- C88.5 H170.5 Ce Mn8 N5.5 O37.5 -","- C177 H341 Ce2 Mn16 N11 O75 -","2","1","","Lampropoulos, Christos; Thuijs, Annaliese E.; Mitchell, Kylie J.; Abboud, Khalil A.; Christou, George","Manganese/Cerium Clusters Spanning a Range of Oxidation Levels and CeMn8, Ce2Mn4, and Ce6Mn4 Nuclearities: Structural, Magnetic, and EPR Properties.","Inorganic chemistry","2014","53","13","6805","6816","10.1021/ic500617f","","","0.71073","MoKα","","0.0469","0.037","","","0.0938","0.0999","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338758","11.5998","0.0009","12.075","0.0009","13.1809","0.001","108.886","0.001","104.727","0.001","90.137","0.001","1682.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H62 Ce2 Mn4 N14 O31 -","- C36 H42 Ce2 Mn4 N8 O30.764 -","- C36 H42 Ce2 Mn4 N8 O30.764 -","1","0.5","","Lampropoulos, Christos; Thuijs, Annaliese E.; Mitchell, Kylie J.; Abboud, Khalil A.; Christou, George","Manganese/Cerium Clusters Spanning a Range of Oxidation Levels and CeMn8, Ce2Mn4, and Ce6Mn4 Nuclearities: Structural, Magnetic, and EPR Properties.","Inorganic chemistry","2014","53","13","6805","6816","10.1021/ic500617f","","","0.71073","MoKα","","0.0371","0.0341","","","0.099","0.1009","","","","","","1.109","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338759","14.728","0.002","14.876","0.002","7.4484","0.0011","90","","90","","90","","1631.9","0.4","294","2","294","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H13 Cu N3 O8 -","- C15 H13 Cu N3 O8 -","- C60 H52 Cu4 N12 O32 -","4","1","","Sasmal, Ashok; Garribba, Eugenio; Rizzoli, Corrado; Mitra, Samiran","Reversible Switching of Electronic Ground State in a Pentacoordinated Cu(II) 1D Cationic Polymer and Structural Diversity.","Inorganic chemistry","2014","53","13","6665","6674","10.1021/ic500377w","","","0.71073","MoKα","","0.0258","0.0243","","","0.062","0.0631","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4338760","21.452","0.002","21.421","0.002","27.277","0.003","90","","107.912","0.002","90","","11927","2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H92 Cu8 N24 O50 -","- C104 H92 Cu8 N24 O50 -","- C416 H368 Cu32 N96 O200 -","4","0.5","","Sasmal, Ashok; Garribba, Eugenio; Rizzoli, Corrado; Mitra, Samiran","Reversible Switching of Electronic Ground State in a Pentacoordinated Cu(II) 1D Cationic Polymer and Structural Diversity.","Inorganic chemistry","2014","53","13","6665","6674","10.1021/ic500377w","","","0.71073","MoKα","","0.0948","0.0524","","","0.13","0.1519","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4338761","19.14","0.03","12.786","0.014","22.67","0.03","90","","105.501","0.014","90","","5346","12","125","","125","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H25 Au2 Cl5 P2 -","- C19.5 H25 Au2 Cl5 P2 -","- C156 H200 Au16 Cl40 P16 -","8","1","","Surgenor, Brian A.; Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Bühl, Michael; Kilian, Petr","Reactivity profile of a peri-substitution-stabilized phosphanylidene-phosphorane: synthetic, structural, and computational studies.","Inorganic chemistry","2014","53","13","6856","6866","10.1021/ic500697m","","","0.71075","MoKα","","","0.0662","","","","0.1769","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338762","8.492","0.0019","10.601","0.003","13.737","0.003","85.39","0.03","73.918","0.018","79.525","0.019","1167.9","0.5","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H46 Cl6 P4 Pt2 -","- C37 H46 Cl6 P4 Pt2 -","- C37 H46 Cl6 P4 Pt2 -","1","0.5","","Surgenor, Brian A.; Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Bühl, Michael; Kilian, Petr","Reactivity profile of a peri-substitution-stabilized phosphanylidene-phosphorane: synthetic, structural, and computational studies.","Inorganic chemistry","2014","53","13","6856","6866","10.1021/ic500697m","","","0.71075","MoKα","","","0.0583","","","","0.1558","","","","","","1.084","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338763","21.2672","0.0002","11.072","0.011","19.143","0.002","90","","90.793","0.009","90","","4507","5","125","","125","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40.5 H44.5 Cl1.5 Mo O4 P4 -","- C40.5 H44.5 Cl1.5 Mo O4 P4 -","- C162 H178 Cl6 Mo4 O16 P16 -","4","0.5","","Surgenor, Brian A.; Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Bühl, Michael; Kilian, Petr","Reactivity profile of a peri-substitution-stabilized phosphanylidene-phosphorane: synthetic, structural, and computational studies.","Inorganic chemistry","2014","53","13","6856","6866","10.1021/ic500697m","","","0.71075","MoKα","","","0.1156","","","","0.3695","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338764","15.138","0.003","13.808","0.003","16.874","0.003","90","","99.358","0.019","90","","3480.2","1.2","125","","125","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 Cl2 O P2 Rh -","- C32 H45 Cl2 O P2 Rh -","- C128 H180 Cl8 O4 P8 Rh4 -","4","1","","Surgenor, Brian A.; Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Bühl, Michael; Kilian, Petr","Reactivity profile of a peri-substitution-stabilized phosphanylidene-phosphorane: synthetic, structural, and computational studies.","Inorganic chemistry","2014","53","13","6856","6866","10.1021/ic500697m","","","0.71075","MoKα","","","0.2064","","","","0.5012","","","","","","1.102","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338765","7.5278","0.0011","25.924","0.004","9.6195","0.0012","90","","108.86","0.008","90","","1776.5","0.4","125","","125","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 O4 P2 -","- C18 H24 O4 P2 -","- C72 H96 O16 P8 -","4","1","","Surgenor, Brian A.; Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Bühl, Michael; Kilian, Petr","Reactivity profile of a peri-substitution-stabilized phosphanylidene-phosphorane: synthetic, structural, and computational studies.","Inorganic chemistry","2014","53","13","6856","6866","10.1021/ic500697m","","","0.71075","MoKα","","","0.0422","","","","0.1171","","","","","","1.059","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338766","7.9678","0.0013","14.172","0.003","16.796","0.003","90.762","0.01","91","0.007","92","0.008","1895","0.6","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 P2 S3 -","- C18 H22 P2 S3 -","- C72 H88 P8 S12 -","4","2","","Surgenor, Brian A.; Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Bühl, Michael; Kilian, Petr","Reactivity profile of a peri-substitution-stabilized phosphanylidene-phosphorane: synthetic, structural, and computational studies.","Inorganic chemistry","2014","53","13","6856","6866","10.1021/ic500697m","","","0.71075","MoKα","","","0.0705","","","","0.1672","","","","","","0.921","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338767","8.267","0.003","14.8752","0.001","16.6453","0.0012","65.56","0.05","79.92","0.05","81.64","0.05","1828.7","1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 P2 S2 -","- C18 H22 P2 S2 -","- C72 H88 P8 S8 -","4","2","","Surgenor, Brian A.; Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Bühl, Michael; Kilian, Petr","Reactivity profile of a peri-substitution-stabilized phosphanylidene-phosphorane: synthetic, structural, and computational studies.","Inorganic chemistry","2014","53","13","6856","6866","10.1021/ic500697m","","","1.54187","CuKα","","","0.0732","","","","0.2748","","","","","","1.207","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338768","8.3216","0.0012","15.389","0.002","16.939","0.002","64.679","0.004","78.05","0.006","80.604","0.005","1911.5","0.4","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 P2 Se2 -","- C18 H22 P2 Se2 -","- C72 H88 P8 Se8 -","4","2","","Surgenor, Brian A.; Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Bühl, Michael; Kilian, Petr","Reactivity profile of a peri-substitution-stabilized phosphanylidene-phosphorane: synthetic, structural, and computational studies.","Inorganic chemistry","2014","53","13","6856","6866","10.1021/ic500697m","","","0.71075","MoKα","","","0.0751","","","","0.2701","","","","","","0.947","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338769","8.043","0.005","8.499","0.006","14.948","0.009","74.381","0.017","76.843","0.016","65.538","0.017","887.8","1","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 P2 Te -","- C18 H22 P2 Te -","- C36 H44 P4 Te2 -","2","1","","Surgenor, Brian A.; Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Bühl, Michael; Kilian, Petr","Reactivity profile of a peri-substitution-stabilized phosphanylidene-phosphorane: synthetic, structural, and computational studies.","Inorganic chemistry","2014","53","13","6856","6866","10.1021/ic500697m","","","0.71075","MoKα","","","0.0434","","","","0.1059","","","","","","1.084","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338770","12.941","0.004","16.141","0.004","21.948","0.006","90","","90","","90","","4585","2","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H50 Cl4 N2 P4 Zn -","- C40 H50 Cl4 N2 P4 Zn -","- C160 H200 Cl16 N8 P16 Zn4 -","4","1","","Surgenor, Brian A.; Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Bühl, Michael; Kilian, Petr","Reactivity profile of a peri-substitution-stabilized phosphanylidene-phosphorane: synthetic, structural, and computational studies.","Inorganic chemistry","2014","53","13","6856","6866","10.1021/ic500697m","","","0.71075","MoKα","","","0.0863","","","","0.2243","","","","","","0.982","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338771","27.051","0.002","11.9471","0.0009","18.0215","0.0013","90","","127.293","0.004","90","","4633.4","0.6","143","1","143","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H68 N3 O2 Si6 U -","- C37.3 H67.9 N3 O2 Si6 U -","- C149.2 H271.6 N12 O8 Si24 U4 -","4","0.5","","Lewis, Andrew J.; Mullane, Kimberly C.; Nakamaru-Ogiso, Eiko; Carroll, Patrick J.; Schelter, Eric J.","The inverse trans influence in a family of pentavalent uranium complexes.","Inorganic chemistry","2014","53","13","6944","6953","10.1021/ic500833s","","","0.71073","MoKα","","0.0668","0.0467","","","0.1182","0.128","","","","","","1.046","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338772","14.6978","0.0008","12.8861","0.0007","23.4364","0.0013","90","","92.896","0.003","90","","4433.1","0.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H74 N5 O Si6 U -","- C27 H74 N5 O Si6 U -","- C108 H296 N20 O4 Si24 U4 -","4","1","","Lewis, Andrew J.; Mullane, Kimberly C.; Nakamaru-Ogiso, Eiko; Carroll, Patrick J.; Schelter, Eric J.","The inverse trans influence in a family of pentavalent uranium complexes.","Inorganic chemistry","2014","53","13","6944","6953","10.1021/ic500833s","","","0.71073","MoKα","","0.0591","0.0448","","","0.1131","0.1206","","","","","","1.147","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338773","11.3271","0.0011","14.7963","0.0012","18.2899","0.0016","90","","91.149","0.008","90","","3064.8","0.5","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 B2 F8 N3 O2 Pt Rh -","- C28 H30 B2 F8 N3 O2 Pt Rh -","- C112 H120 B8 F32 N12 O8 Pt4 Rh4 -","4","1","","Moussa, Jamal; Chamoreau, Lise-Marie; Degli Esposti, Alessandra; Gullo, Maria Pia; Barbieri, Andrea; Amouri, Hani","Tuning Excited States of Bipyridyl Platinum(II) Chromophores with π-Bonded Catecholate Organometallic Ligands: Synthesis, Structures, TD-DFT Calculations, and Photophysical Properties.","Inorganic chemistry","2014","53","13","6624","6633","10.1021/ic500232w","","","0.71073","MoKα","","0.0509","0.0325","","","0.0756","0.0842","","","","","","1.004","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338774","11.3386","0.001","14.8046","0.0009","18.295","0.0014","90","","91.291","0.006","90","","3070.3","0.4","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 B2 F8 Ir N3 O2 Pt -","- C28 H30 B2 F8 Ir N3 O2 Pt -","- C112 H120 B8 F32 Ir4 N12 O8 Pt4 -","4","1","","Moussa, Jamal; Chamoreau, Lise-Marie; Degli Esposti, Alessandra; Gullo, Maria Pia; Barbieri, Andrea; Amouri, Hani","Tuning Excited States of Bipyridyl Platinum(II) Chromophores with π-Bonded Catecholate Organometallic Ligands: Synthesis, Structures, TD-DFT Calculations, and Photophysical Properties.","Inorganic chemistry","2014","53","13","6624","6633","10.1021/ic500232w","","","0.71073","MoKα","","0.0624","0.0315","","","0.0591","0.0661","","","","","","1.006","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338775","20.0763","0.0013","14.2082","0.0013","18.783","0.003","90","","98.568","0.007","90","","5298","1","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 B2 F8 N3 O2 Pt Ru -","- C24 H21 B2 F8 N3 O2 Pt Ru -","- C192 H168 B16 F64 N24 O16 Pt8 Ru8 -","8","2","","Moussa, Jamal; Chamoreau, Lise-Marie; Degli Esposti, Alessandra; Gullo, Maria Pia; Barbieri, Andrea; Amouri, Hani","Tuning Excited States of Bipyridyl Platinum(II) Chromophores with π-Bonded Catecholate Organometallic Ligands: Synthesis, Structures, TD-DFT Calculations, and Photophysical Properties.","Inorganic chemistry","2014","53","13","6624","6633","10.1021/ic500232w","","","0.71073","MoKα","","0.0962","0.058","","","0.1141","0.1263","","","","","","1.059","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338776","10.5774","0.0002","11.8718","0.0002","13.909","0.0004","107.132","0.001","95.78","0.001","114.127","0.001","1473.51","0.06","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H30.5 B F4 N2.5 O3 Pt Ru -","- C27 H27 B F4 N2.5 O3 Pt Ru -","- C54 H54 B2 F8 N5 O6 Pt2 Ru2 -","2","1","","Moussa, Jamal; Chamoreau, Lise-Marie; Degli Esposti, Alessandra; Gullo, Maria Pia; Barbieri, Andrea; Amouri, Hani","Tuning Excited States of Bipyridyl Platinum(II) Chromophores with π-Bonded Catecholate Organometallic Ligands: Synthesis, Structures, TD-DFT Calculations, and Photophysical Properties.","Inorganic chemistry","2014","53","13","6624","6633","10.1021/ic500232w","","","0.71073","MoKα","","0.0402","0.0284","","","0.0684","0.0744","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338777","19.19","0.005","20.468","0.006","26.575","0.007","102.203","0.007","104.575","0.007","112.164","0.006","8792","4","90","1","90","1","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H52.13 In N3.75 O3 -","- C49.5 H52.1082 In N3.75 O3 -","- C396 H416.866 In8 N30 O24 -","8","4","","Aluthge, Dinesh C.; Yan, Ellen X.; Ahn, Jun Myun; Mehrkhodavandi, Parisa","Role of Aggregation in the Synthesis and Polymerization Activity of SalBinap Indium Alkoxide Complexes.","Inorganic chemistry","2014","53","13","6828","6836","10.1021/ic500647j","","","0.71073","MoKα","","0.0989","0.0568","","","0.1214","0.1494","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338778","15.445","0.003","15.842","0.003","22.983","0.005","88.879","0.004","75.526","0.005","80.596","0.004","5370.5","1.9","90","1","90","1","","","","","","","","5","P -1","-P 1","2","","","","- C92 H94 In2 N4 O6 -","- C92 H94 In2 N4 O6 -","- C184 H188 In4 N8 O12 -","2","1","","Aluthge, Dinesh C.; Yan, Ellen X.; Ahn, Jun Myun; Mehrkhodavandi, Parisa","Role of Aggregation in the Synthesis and Polymerization Activity of SalBinap Indium Alkoxide Complexes.","Inorganic chemistry","2014","53","13","6828","6836","10.1021/ic500647j","","","0.71073","MoKα","","0.1437","0.0966","","","0.2611","0.2929","","","","","","1.137","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338779","14.619","0.0016","16.2907","0.0017","23.505","0.002","90.069","0.002","94.251","0.002","114.538","0.002","5075.1","0.9","90","1","90","1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Cl In N2 O2 -","- C50 H54 Cl In N2 O2 -","- C200 H216 Cl4 In4 N8 O8 -","4","2","","Aluthge, Dinesh C.; Yan, Ellen X.; Ahn, Jun Myun; Mehrkhodavandi, Parisa","Role of Aggregation in the Synthesis and Polymerization Activity of SalBinap Indium Alkoxide Complexes.","Inorganic chemistry","2014","53","13","6828","6836","10.1021/ic500647j","","","0.71073","MoKα","","0.077","0.0525","","","0.1194","0.1321","","","","","","1.042","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338780","36.15","0.003","12.6645","0.0011","24.6409","0.0019","90","","128.044","0.002","90","","8884.3","1.3","90","0","90","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Cl0.5 In N4 O2.5 -","- C48 H48 Cl0.5 In N4 O2.5 -","- C384 H384 Cl4 In8 N32 O20 -","8","1","","Aluthge, Dinesh C.; Yan, Ellen X.; Ahn, Jun Myun; Mehrkhodavandi, Parisa","Role of Aggregation in the Synthesis and Polymerization Activity of SalBinap Indium Alkoxide Complexes.","Inorganic chemistry","2014","53","13","6828","6836","10.1021/ic500647j","","","0.71073","MoKα","","0.0882","0.0542","","","0.1453","0.1651","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338781","12.5057","0.0007","12.5057","0.0007","12.5057","0.0007","90","","90","","90","","1955.8","0.19","293.15","","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- Al3 Ca2 Gd O12 Zr2 -","- Al3 Ca1.98 Gd1.032 O12 Zr2 -","- Al24 Ca15.84 Gd8.256 O96 Zr16 -","8","0.0833333","","Gong, Xinghong; Huang, Jianhua; Chen, Yujin; Lin, Yanfu; Luo, Zundu; Huang, Yidong","Novel Garnet-Structure Ca2GdZr2(AlO4)3:Ce(3+) Phosphor and Its Structural Tuning of Optical Properties.","Inorganic chemistry","2014","53","13","6607","6614","10.1021/ic500153u","","","0.71073","MoKα","","0.0162","0.0162","","","0.0417","0.0417","","","","","","1.164","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338782","10.2408","0.0007","11.294","0.0009","12.1538","0.0008","92.86","0.002","107.682","0.0016","104.362","0.002","1285.44","0.16","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H37 N Si Zr -","- C27 H37 N Si Zr -","- C54 H74 N2 Si2 Zr2 -","2","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.1159","0.0567","","","0.0967","0.1271","","","","","","1.098","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338783","8.1874","0.0006","9.2218","0.0008","15.3047","0.0009","79.445","0.002","73.738","0.002","60.568","0.002","964.71","0.13","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H27 Br2 N Si Zr -","- C15 H27 Br2 N Si Zr -","- C30 H54 Br4 N2 Si2 Zr2 -","2","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0757","0.0461","","","0.093","0.1469","","","","","","1.161","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338784","31.6204","0.0009","11.1129","0.0003","18.5103","0.0005","90","","119.454","0.0008","90","","5663.7","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H45 Cl Ir N Si Zr -","- C25 H45 Cl Ir N Si Zr -","- C200 H360 Cl8 Ir8 N8 Si8 Zr8 -","8","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0228","0.0202","","","0.0442","0.045","","","","","","1.063","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338785","7.6787","0.0002","18.7387","0.0007","17.7691","0.0005","90","","98.883","0.0008","90","","2526.11","0.14","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 Cl Ir N Si Zr -","- C21 H37 Cl Ir N Si Zr -","- C84 H148 Cl4 Ir4 N4 Si4 Zr4 -","4","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0268","0.0225","","","0.0508","0.0529","","","","","","1.053","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338786","10.4622","0.0008","11.8335","0.001","13.4001","0.0011","106.412","0.003","90.183","0.002","91.551","0.002","1590.7","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H50 Ir N Si Zr -","- C31 H50 Ir N Si Zr -","- C62 H100 Ir2 N2 Si2 Zr2 -","2","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0304","0.028","","","0.0648","0.0664","","","","","","1.055","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338787","12.0837","0.0005","15.2035","0.0006","13.6888","0.0006","90","","93.922","0.0014","90","","2508.94","0.18","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C48 H84 Ir2 N2 Si2 Zr2 -","- C48 H66 Ir2 N2 Si2 Zr2 -","- C96 H132 Ir4 N4 Si4 Zr4 -","2","0.5","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0303","0.0258","","","0.0545","0.0562","","","","","","1.054","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338788","10.5754","0.0004","19.025","0.0006","12.8991","0.0005","90","","103.138","0.0013","90","","2527.33","0.16","158","2","158","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H84 Ir2 N2 Si2 Zr2 -","- C48 H84 Ir2 N2 Si2 Zr2 -","- C96 H168 Ir4 N4 Si4 Zr4 -","2","0.5","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0269","0.0238","","","0.053","0.0543","","","","","","1.032","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338789","10.6621","0.0004","18.5922","0.0005","17.7355","0.0006","90","","102.481","0.0011","90","","3432.7","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H56 Ir N Si2 Zr -","- C28.9 H32 Ir N Si2 Zr -","- C115.6 H128 Ir4 N4 Si8 Zr4 -","4","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0363","0.0306","","","0.0793","0.0827","","","","","","1.037","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338790","9.9644","0.0005","10.8959","0.0006","17.5862","0.0008","106.238","0.0015","107.436","0.0012","91.894","0.0017","1734.67","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H52 Ir N Si Zr -","- C35 H52 Ir N Si Zr -","- C70 H104 Ir2 N2 Si2 Zr2 -","2","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0455","0.0342","","","0.0607","0.0661","","","","","","1.095","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338791","11.4174","0.0003","14.8575","0.0003","20.9837","0.0005","90","","104.216","0.0008","90","","3450.54","0.14","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 Ir N O2 Si Zr -","- C33 H54 Ir N O2 Si Zr -","- C132 H216 Ir4 N4 O8 Si4 Zr4 -","4","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0263","0.0217","","","0.0465","0.0478","","","","","","1.04","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338792","10.3795","0.0004","18.624","0.0007","16.1437","0.0006","90","","90.016","0.0011","90","","3120.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H48 Ir N O Si Zr -","- C29 H48 Ir N O Si Zr -","- C116 H192 Ir4 N4 O4 Si4 Zr4 -","4","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0532","0.038","","","0.0765","0.0834","","","","","","1.046","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338793","10.5561","0.0004","12.063","0.0005","16.0744","0.0005","78.76","0.001","84.748","0.001","71.482","0.001","1902.71","0.12","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H62 Ir N Si Zr -","- C37 H62 Ir N Si Zr -","- C74 H124 Ir2 N2 Si2 Zr2 -","2","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0289","0.0265","","","0.0693","0.0701","","","","","","1.16","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338794","40.2463","0.0019","8.711","0.0005","22.8535","0.0012","90","","122.905","0.0013","90","","6726.7","0.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H48 Cl2 Ir N Si Zr -","- C31 H48 Cl2 Ir N Si Zr -","- C248 H384 Cl16 Ir8 N8 Si8 Zr8 -","8","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0221","0.0197","","","0.0454","0.0465","","","","","","1.03","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338795","11.7863","0.0004","19.9341","0.0007","16.2422","0.0006","90","","106.236","0.0011","90","","3663.9","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 F6 Ir N Si Zr -","- C33 H48 F6 Ir N Si Zr -","- C132 H192 F24 Ir4 N4 Si4 Zr4 -","4","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0401","0.0345","","","0.0843","0.0876","","","","","","1.023","","","","has coordinates,has disorder","179490","2020-10-21","18:00:00",""
"4338796","12.2259","0.0005","12.7581","0.0006","13.2551","0.0006","83.535","0.0015","72.203","0.0013","72.058","0.0015","1872.46","0.15","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H54 Ir N O2 Si Zr -","- C35 H54 Ir N O2 Si Zr -","- C70 H108 Ir2 N2 O4 Si2 Zr2 -","2","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0346","0.0266","","","0.0618","0.0669","","","","","","1.061","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338797","18.8497","0.0006","18.9164","0.0006","21.5272","0.0006","90","","116.832","0.0007","90","","6849.5","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 Ir N3 Si Zr -","- C32 H54 Ir N3 Si Zr -","- C256 H432 Ir8 N24 Si8 Zr8 -","8","2","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0446","0.0363","","","0.0778","0.0809","","","","","","1.061","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338798","11.8139","0.0007","12.8249","0.0009","22.8001","0.0014","90","","100.89","0.0016","90","","3392.3","0.4","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Ir N S Si Zr -","- C32 H52 Ir N S Si Zr -","- C128 H208 Ir4 N4 S4 Si4 Zr4 -","4","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.1147","0.0548","","","0.0974","0.125","","","","","","1.023","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338799","10.5055","0.0005","16.0884","0.0006","11.5005","0.0005","90","","113.874","0.0014","90","","1777.46","0.13","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H54 Fe Ir N Si Zr -","- C35 H51 Fe Ir N Si Zr -","- C70 H102 Fe2 Ir2 N2 Si2 Zr2 -","2","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0375","0.0363","","","0.0884","0.0888","","","","","","1.125","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338800","10.6656","0.0003","16.2659","0.0005","18.2041","0.0006","104.058","0.0011","104.732","0.0011","91.955","0.0011","2947.34","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H88 Br4 Ir2 N2 Si2 Zr2 -","- C50 H88 Br4 Ir2 N2 Si2 Zr2 -","- C100 H176 Br8 Ir4 N4 Si4 Zr4 -","2","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0262","0.0242","","","0.0578","0.0586","","","","","","1.037","","","","has coordinates,has disorder","179491","2020-10-21","18:00:00",""
"4338801","19.2725","0.0005","18.0881","0.0005","13.6614","0.0003","90","","90","","90","","4762.4","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C43 H63 Cl5 Ir2 Si Zr -","- C43 H63 Cl5 Ir2 Si Zr -","- C172 H252 Cl20 Ir8 Si4 Zr4 -","4","0.5","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.037","0.027","","","0.0582","0.0617","","","","","","1.043","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338802","30.9795","0.001","12.9965","0.0004","21.261","0.0006","90","","131.411","0.0007","90","","6420","0.3","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H50 Ir N O Si Zr -","- C33 H50 Ir N O Si Zr -","- C264 H400 Ir8 N8 O8 Si8 Zr8 -","8","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0308","0.0265","","","0.0606","0.0622","","","","","","1.029","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338803","13.8939","0.0004","14.6602","0.0004","14.1664","0.0005","90","","114.579","0.0011","90","","2624.06","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H78 Ir2 O2 Zr2 -","- C60 H78 Ir2 O2 Zr2 -","- C120 H156 Ir4 O4 Zr4 -","2","0.5","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0431","0.0282","","","0.056","0.0609","","","","","","1.048","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338804","11.9199","0.0005","17.6886","0.0006","15.3556","0.0006","90","","92.961","0.0014","90","","3233.3","0.2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H53 Br Ir N Si Zr -","- C29 H50 Br Ir N Si Zr -","- C116 H200 Br4 Ir4 N4 Si4 Zr4 -","4","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0569","0.0459","","","0.1033","0.1105","","","","","","1.059","","","","has coordinates,has disorder","179491","2020-10-21","18:00:00",""
"4338805","9.3629","0.0003","17.7638","0.0005","21.644","0.0007","90","","100.685","0.0011","90","","3537.43","0.19","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H59 Ir N O P Si Zr -","- C31 H59 Ir N O P Si Zr -","- C124 H236 Ir4 N4 O4 P4 Si4 Zr4 -","4","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.0555","0.0371","","","0.0728","0.0795","","","","","","1.024","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338806","9.4585","0.0002","20.1333","0.0005","16.6115","0.0004","90","","92.691","0.0008","90","","3159.85","0.13","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H53 Al Ir N Si Zr -","- C28 H53 Al Ir N Si Zr -","- C112 H212 Al4 Ir4 N4 Si4 Zr4 -","4","1","","Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu","A study on zr-ir multiple bonding active for C-h bond cleavage.","Inorganic chemistry","2014","53","13","6634","6654","10.1021/ic500258g","","","0.71069","MoKα","","0.027","0.0228","","","0.0518","0.0532","","","","","","1.07","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338807","9.6736","0.0003","9.7346","0.0003","41.7577","0.0011","95.973","0.002","90.744","0.002","113.835","0.002","3570.81","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H58 N2 Ni S -","- C37 H58 N2 Ni S -","- C148 H232 N8 Ni4 S4 -","4","2","","Horn, Bettina; Limberg, Christian; Herwig, Christian; Braun, Beatrice","Three-Coordinate Nickel(II) and Nickel(I) Thiolate Complexes Based on the β-Diketiminate Ligand System.","Inorganic chemistry","2014","53","13","6867","6874","10.1021/ic500698v","","","0.71073","MoKα","","0.0773","0.0436","","","0.0908","0.0963","","","","","","0.847","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338808","10.4799","0.0004","14.9728","0.0005","11.5528","0.0004","90","","107.423","0.003","90","","1729.62","0.11","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C37 H59 N3 Ni S -","- C37 H59 N3 Ni S -","- C74 H118 N6 Ni2 S2 -","2","1","","Horn, Bettina; Limberg, Christian; Herwig, Christian; Braun, Beatrice","Three-Coordinate Nickel(II) and Nickel(I) Thiolate Complexes Based on the β-Diketiminate Ligand System.","Inorganic chemistry","2014","53","13","6867","6874","10.1021/ic500698v","","","0.71073","MoKα","","0.0294","0.0252","","","0.0507","0.0515","","","","","","1.02","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338809","26.4765","0.0015","17.9487","0.001","16.7544","0.0009","90","","90","","90","","7962","0.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C78 H126 K2 N4 Ni2 O S2 -","- C78 H126 K2 N4 Ni2 O S2 -","- C312 H504 K8 N16 Ni8 O4 S8 -","4","0.5","","Horn, Bettina; Limberg, Christian; Herwig, Christian; Braun, Beatrice","Three-Coordinate Nickel(II) and Nickel(I) Thiolate Complexes Based on the β-Diketiminate Ligand System.","Inorganic chemistry","2014","53","13","6867","6874","10.1021/ic500698v","","","1.54178","CuKα","","0.0542","0.0355","","","0.0837","0.0925","","","","","","1.01","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338810","12.7088","0.0004","18.3156","0.0006","19.4283","0.0006","90","","102.597","0.001","90","","4413.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H136 K2 N4 Ni2 O2 S2 -","- C90 H136 K2 N4 Ni2 O2 S2 -","- C180 H272 K4 N8 Ni4 O4 S4 -","2","0.5","","Horn, Bettina; Limberg, Christian; Herwig, Christian; Braun, Beatrice","Three-Coordinate Nickel(II) and Nickel(I) Thiolate Complexes Based on the β-Diketiminate Ligand System.","Inorganic chemistry","2014","53","13","6867","6874","10.1021/ic500698v","","","0.71073","MoKα","","0.0377","0.0326","","","0.1158","0.1229","","","","","","1.035","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338811","22.936","0.005","18.267","0.004","19.085","0.004","90","","96.67","0.03","90","","7942","3","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H74 F12 Ir2 N8 O3 P4 -","- C80 H74 F12 Ir2 N8 O3 P4 -","- C320 H296 F48 Ir8 N32 O12 P16 -","4","0.5","","Zhang, Fuli; Ma, Dongxin; Duan, Lian; Qiao, Juan; Dong, Guifang; Wang, Liduo; Qiu, Yong","Synthesis, Characterization, and Photophysical and Electroluminescent Properties of Blue-Emitting Cationic Iridium(III) Complexes Bearing Nonconjugated Ligands.","Inorganic chemistry","2014","53","13","6596","6606","10.1021/ic5001733","","","0.71073","MoKα","","0.0341","0.0331","","","0.0881","0.0889","","","","","","1.015","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338812","19.993","0.004","10.704","0.002","23.631","0.009","90","","121.96","0.02","90","","4291","2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85 H74 F20 Ir2 N8 O3 P4 -","- C85 H74 F20 Ir2 N8 O3 P4 -","- C170 H148 F40 Ir4 N16 O6 P8 -","2","0.5","","Zhang, Fuli; Ma, Dongxin; Duan, Lian; Qiao, Juan; Dong, Guifang; Wang, Liduo; Qiu, Yong","Synthesis, Characterization, and Photophysical and Electroluminescent Properties of Blue-Emitting Cationic Iridium(III) Complexes Bearing Nonconjugated Ligands.","Inorganic chemistry","2014","53","13","6596","6606","10.1021/ic5001733","","","0.71073","MoKα","","0.0535","0.0467","","","0.1026","0.1067","","","","","","1.086","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338813","9.7489","0.0019","10.39","0.002","17.755","0.004","90.68","0.03","90.59","0.03","105.31","0.03","1734.3","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H27 F10 Ir N6 O0 P2 -","- C35 H27 F10 Ir N6 P2 -","- C70 H54 F20 Ir2 N12 P4 -","2","1","","Zhang, Fuli; Ma, Dongxin; Duan, Lian; Qiao, Juan; Dong, Guifang; Wang, Liduo; Qiu, Yong","Synthesis, Characterization, and Photophysical and Electroluminescent Properties of Blue-Emitting Cationic Iridium(III) Complexes Bearing Nonconjugated Ligands.","Inorganic chemistry","2014","53","13","6596","6606","10.1021/ic5001733","","","0.71073","MoKα","","0.0332","0.0302","","","0.0717","0.0734","","","","","","1.04","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338814","11.327","0.002","11.447","0.002","14.515","0.003","94.78","0.03","91.44","0.03","91.59","0.03","1874","0.6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H34 F10 Ir N7 O2 P -","- C38 H34 F10 Ir N7 O2 P -","- C76 H68 F20 Ir2 N14 O4 P2 -","2","1","","Zhang, Fuli; Ma, Dongxin; Duan, Lian; Qiao, Juan; Dong, Guifang; Wang, Liduo; Qiu, Yong","Synthesis, Characterization, and Photophysical and Electroluminescent Properties of Blue-Emitting Cationic Iridium(III) Complexes Bearing Nonconjugated Ligands.","Inorganic chemistry","2014","53","13","6596","6606","10.1021/ic5001733","","","0.71073","MoKα","","0.0363","0.0338","","","0.0793","0.0809","","","","","","1.046","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338815","23.6139","0.0013","7.5944","0.0004","7.6259","0.0004","90","","90","","90","","1367.58","0.13","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Karunadasa, Hemamala I.","Lithium cycling in a self-assembled copper chloride-polyether hybrid electrode.","Inorganic chemistry","2014","53","13","6494","6496","10.1021/ic500860t","","","0.71073","MoKα","","0.0543","0.028","","","","0.0661","","","","","","1.0936","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338816","6.5294","0.0002","10.8557","0.0004","12.6281","0.0006","90","","103.543","0.003","90","","870.21","0.06","298","0.2","298","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O10 Sc2 Se3 -","- O10 Sc2 Se3 -","- O40 Sc8 Se12 -","4","1","","Song, Seung Yoon; Lee, Dong Woo; Ok, Kang Min","Rich Structural Chemistry in Scandium Selenium/Tellurium Oxides: Mixed-Valent Selenite-Selenates, Sc2(SeO3)2(SeO4) and Sc2(TeO3)(SeO3)(SeO4), and Ternary Tellurite, Sc2(TeO3)3.","Inorganic chemistry","2014","53","13","7040","7046","10.1021/ic501009c","","","0.71073","MoKα","","0.13","0.0489","","","0.0628","0.0758","","","","","","0.806","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338817","6.5345","0.0012","10.97","0.002","12.559","0.002","90","","102.699","0.01","90","","878.3","0.3","298","0.2","298","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- O10 Sc2 Se2 Te -","- O10 Sc2 Se2 Te -","- O40 Sc8 Se8 Te4 -","4","1","","Song, Seung Yoon; Lee, Dong Woo; Ok, Kang Min","Rich Structural Chemistry in Scandium Selenium/Tellurium Oxides: Mixed-Valent Selenite-Selenates, Sc2(SeO3)2(SeO4) and Sc2(TeO3)(SeO3)(SeO4), and Ternary Tellurite, Sc2(TeO3)3.","Inorganic chemistry","2014","53","13","7040","7046","10.1021/ic501009c","","","0.71073","MoKα","","0.1147","0.0587","","","0.1663","0.1839","","","","","","1.006","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338818","5.2345","0.0003","24.3958","0.0015","6.8636","0.0004","90","","106.948","0.002","90","","838.41","0.09","298","0.2","298","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- O9 Sc2 Te3 -","- O9 Sc2 Te3 -","- O36 Sc8 Te12 -","4","1","","Song, Seung Yoon; Lee, Dong Woo; Ok, Kang Min","Rich Structural Chemistry in Scandium Selenium/Tellurium Oxides: Mixed-Valent Selenite-Selenates, Sc2(SeO3)2(SeO4) and Sc2(TeO3)(SeO3)(SeO4), and Ternary Tellurite, Sc2(TeO3)3.","Inorganic chemistry","2014","53","13","7040","7046","10.1021/ic501009c","","","0.71073","MoKα","","0.0208","0.0182","","","0.0362","0.0368","","","","","","1.098","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338819","7.8918","0.0001","12.7006","0.0002","9.3165","0.0002","90","","90.607","0.001","90","","933.75","0.03","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H24 Li2 N2 Ni O13 -","- C11 H24 Li2 N2 Ni O13 -","- C22 H48 Li4 N4 Ni2 O26 -","2","1","","Meier, Roland; Platas-Iglesias, Carlos; Heinemann, Frank W.; Linti, Gerald; Schulte, Jürgen; Srivastava, Sunil K.","Secrets of Solid State and Aqueous Solution Structures of [Ni(tmdta)](2-).","Inorganic chemistry","2014","53","13","6684","6697","10.1021/ic5004325","","","0.71073","MoKα","","0.0529","0.0343","","","0.0643","0.0689","","","","","","0.975","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338820","20.832","0.004","15.174","0.003","8.4085","0.0017","90","","93.31","0.03","90","","2653.5","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H38 N8 Ni O14 -","- C13 H26 N8 Ni O14 -","- C52 H104 N32 Ni4 O56 -","4","1","","Meier, Roland; Platas-Iglesias, Carlos; Heinemann, Frank W.; Linti, Gerald; Schulte, Jürgen; Srivastava, Sunil K.","Secrets of Solid State and Aqueous Solution Structures of [Ni(tmdta)](2-).","Inorganic chemistry","2014","53","13","6684","6697","10.1021/ic5004325","","x-ray","0.71073","MoKα","","0.1515","0.1171","","","0.301","0.3077","","","","","","1.747","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338821","13.213","0.003","11.612","0.002","13.676","0.003","90","","90","","90","","2098.3","0.8","200","2","200","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C11 H28 N2 Ni2 O16 -","- C11 H28 N2 Ni2 O16 -","- C44 H112 N8 Ni8 O64 -","4","0.5","","Meier, Roland; Platas-Iglesias, Carlos; Heinemann, Frank W.; Linti, Gerald; Schulte, Jürgen; Srivastava, Sunil K.","Secrets of Solid State and Aqueous Solution Structures of [Ni(tmdta)](2-).","Inorganic chemistry","2014","53","13","6684","6697","10.1021/ic5004325","","x-ray","0.71073","MoKα","","0.0408","0.0367","","","0.1062","0.109","","","","","","1.058","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338822","8.9232","0.0005","15.2216","0.001","19.3282","0.0013","90","","94.197","0.003","90","","2618.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 Cu4 N10 O16 -","- C50 H50 Cu4 N10 O16 -","- C100 H100 Cu8 N20 O32 -","2","0.5","","Anbu, Sellamuthu; Ravishankaran, Rajendran; Guedes da Silva, M Fátima C; Karande, Anjali A.; Pombeiro, Armando J. L.","Differentially selective chemosensor with fluorescence off-on responses on cu(2+) and zn(2+) ions in aqueous media and applications in pyrophosphate sensing, live cell imaging, and cytotoxicity.","Inorganic chemistry","2014","53","13","6655","6664","10.1021/ic500313m","","","0.71073","MoKα","","0.0831","0.0489","","","0.1023","0.117","","","","","","0.997","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338823","24.8851","0.0009","15.0765","0.0005","16.2798","0.0006","90","","122.849","0.001","90","","5131.2","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 N8 O6 Zn2 -","- C46 H38 N8 O6 Zn2 -","- C184 H152 N32 O24 Zn8 -","4","0.5","","Anbu, Sellamuthu; Ravishankaran, Rajendran; Guedes da Silva, M Fátima C; Karande, Anjali A.; Pombeiro, Armando J. L.","Differentially selective chemosensor with fluorescence off-on responses on cu(2+) and zn(2+) ions in aqueous media and applications in pyrophosphate sensing, live cell imaging, and cytotoxicity.","Inorganic chemistry","2014","53","13","6655","6664","10.1021/ic500313m","","","0.71069","MoKα","","0.0972","0.0698","","","0.1777","0.1968","","","","","","0.935","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338824","10.657","0.003","12.944","0.003","17.831","0.005","91.51","0.04","99.28","0.04","107.89","0.04","2302.6","1.2","120","2","120.15","","","","","","","","","6","P -1","-P 1","2","","mer,cis-[tris(triethylphosphine)chlorido-2,5-bis(p-carbomethoxy-phenylethynyl)- cyclohexa[1',2':3,4]iridacyclopenta-2,4-diene]","","- C46 H67 Cl Ir O4 P3 -","- C46 H67 Cl Ir O4 P3 -","- C92 H134 Cl2 Ir2 O8 P6 -","2","1","","Steffen, Andreas; Costuas, Karine; Boucekkine, Abdou; Thibault, Marie-Hélène; Beeby, Andrew; Batsanov, Andrei S.; Charaf-Eddin, Azzam; Jacquemin, Denis; Halet, Jean-François; Marder, Todd B.","Fluorescence in rhoda- and iridacyclopentadienes neglecting the spin-orbit coupling of the heavy atom: the ligand dominates.","Inorganic chemistry","2014","53","13","7055","7069","10.1021/ic501115k","","","0.71073","MoKα","","0.0607","0.0422","","","0.094","0.0997","","","","","","0.977","","","","has coordinates,has disorder","179491","2020-10-21","18:00:00",""
"4338825","9.7105","0.0007","9.7105","0.0007","13.7183","0.0011","90","","90","","90","","1293.55","0.17","100","","100","","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","","","- Ir6 Sn16 Yb6.572 -","- Ir6 Sn16 Yb6.572 -","- Ir12 Sn32 Yb13.144 -","2","0.125","","Peter, Sebastian C.; Subbarao, Udumula; Rayaprol, Sudhindra; Martin, Joshua B.; Balasubramanian, Mahalingam; Malliakas, Christos D.; Kanatzidis, Mercouri G.","Flux Growth of Yb6.6Ir6Sn16 Having Mixed-Valent Ytterbium.","Inorganic chemistry","2014","53","13","6615","6623","10.1021/ic500204t","","x-ray","0.71073","MoKα","","0.0699","0.0636","","","0.1499","0.1568","","","","3.11","3.11","3.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338826","19.2712","0.0014","7.8687","0.0005","25.5459","0.0019","90","","91.724","0.004","90","","3872","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(hapta^6^-p-Cymene)[6-(4-methylpiperazin-1-ium)-kappaN-(pyridin-2-yl-methylene)-11H- indolo[3,2-c]quinolin-2-kappaN-amine]chloridoruthenium(II) dichloride ethanol water solvate","","- C38 H49 Cl3 N6 O3 Ru -","- C38 H49 Cl3 N6 O3 Ru -","- C152 H196 Cl12 N24 O12 Ru4 -","4","1","","Filak, Lukas K.; Kalinowski, Danuta S.; Bauer, Theresa J.; Richardson, Des R.; Arion, Vladimir B.","Effect of the Piperazine Unit and Metal-Binding Site Position on the Solubility and Anti-Proliferative Activity of Ruthenium(II)- and Osmium(II)- Arene Complexes of Isomeric Indolo[3,2-c]quinoline-Piperazine Hybrids.","Inorganic chemistry","2014","53","13","6934","6943","10.1021/ic500825j","","","0.71073","MoKα","","0.0899","0.0519","","","0.0997","0.1137","","","","","","1.084","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338827","10.0291","0.0004","9.446","0.0004","19.2958","0.0007","90","","93.479","0.002","90","","1824.62","0.13","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","(hapta^6^-p-Cymene)[6-(4-methylpiperazin-1-yl)-kappaN-(pyridin-2-yl-methylene)-11H- indolo[3,2-c]quinolin-4-kappaN-amine]chloridoruthenium(II) chloride","","- C37 H43 Cl2 N6 O1.5 Ru -","- C37 H41 Cl2 N6 O1.5 Ru -","- C74 H82 Cl4 N12 O3 Ru2 -","2","1","","Filak, Lukas K.; Kalinowski, Danuta S.; Bauer, Theresa J.; Richardson, Des R.; Arion, Vladimir B.","Effect of the Piperazine Unit and Metal-Binding Site Position on the Solubility and Anti-Proliferative Activity of Ruthenium(II)- and Osmium(II)- Arene Complexes of Isomeric Indolo[3,2-c]quinoline-Piperazine Hybrids.","Inorganic chemistry","2014","53","13","6934","6943","10.1021/ic500825j","","","0.71073","MoKα","","0.044","0.0362","","","0.0879","0.0922","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338828","15.2896","0.0005","19.5424","0.0006","15.3917","0.0005","90","","113.677","0.002","90","","4211.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(hapta^6^-p-Cymene)[6-(4-methylpiperazin-1-ium)-kappaN-(pyridin-2-yl-methylene)-11H- indolo[3,2-c]quinolin-4-kappaN-amine]chloridoruthenium(II) dichloride isopropanal water solvate","","- C40.5 H52 Cl3 N6 O2 Ru -","- C40.5 H51 Cl3 N6 O2 Ru -","- C162 H204 Cl12 N24 O8 Ru4 -","4","1","","Filak, Lukas K.; Kalinowski, Danuta S.; Bauer, Theresa J.; Richardson, Des R.; Arion, Vladimir B.","Effect of the Piperazine Unit and Metal-Binding Site Position on the Solubility and Anti-Proliferative Activity of Ruthenium(II)- and Osmium(II)- Arene Complexes of Isomeric Indolo[3,2-c]quinoline-Piperazine Hybrids.","Inorganic chemistry","2014","53","13","6934","6943","10.1021/ic500825j","","","0.71073","MoKα","","0.0652","0.048","","","0.1259","0.1422","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338829","11.123","0.003","17.492","0.005","17.919","0.005","61.55","0.03","78.63","0.03","88.77","0.03","2994.6","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dodeca-μ-oxido-hexa(3-methylpyridine)-octahedro-hexarenium(12 Re-Re)(1+) tetraphenylborate","","- C60 H62 B N6 O12 Re6 -","- C60 H62 B N6 O12 Re6 -","- C120 H124 B2 N12 O24 Re12 -","2","1","","Krawczyk, Marta S.; Krawczyk, Monika K.; Siczek, Miłosz; Lis, Tadeusz","First oxido-bridged cubo-octahedral hexanuclear rhenium clusters.","Inorganic chemistry","2014","53","13","6578","6584","10.1021/ic500162x","","","0.71073","MoKα","","0.0457","0.0245","","","0.0386","0.0397","","","","","","1.005","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338830","10.475","0.003","18.116","0.006","18.23","0.006","77.45","0.03","78.09","0.03","79.7","0.03","3271.4","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dodeca-μ-oxido-hexa(3-methylpyridine)-octahedro-hexarenium(12 Re-Re)(1+) -acetonitrile (1/2) tetraphenylborate","","- C64 H68 B N8 O12 Re6 -","- C64 H68 B N8 O12 Re6 -","- C128 H136 B2 N16 O24 Re12 -","2","1","","Krawczyk, Marta S.; Krawczyk, Monika K.; Siczek, Miłosz; Lis, Tadeusz","First oxido-bridged cubo-octahedral hexanuclear rhenium clusters.","Inorganic chemistry","2014","53","13","6578","6584","10.1021/ic500162x","","","0.71073","MoKα","","0.1333","0.0648","","","0.0805","0.0981","","","","","","1.026","","","","has coordinates,has disorder","179491","2020-10-21","18:00:00",""
"4338831","10.843","0.003","26.996","0.007","22.527","0.006","90","","90.66","0.03","90","","6594","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dodeca-μ-oxido-hexa(3-methylpyridine)-octahedro-hexarenium(12 Re-Re)(1+) -acetonitrile (1/2) tetraphenylborate","","- C64 H68 B N8 O12 Re6 -","- C64 H68 B N8 O12 Re6 -","- C256 H272 B4 N32 O48 Re24 -","4","1","","Krawczyk, Marta S.; Krawczyk, Monika K.; Siczek, Miłosz; Lis, Tadeusz","First oxido-bridged cubo-octahedral hexanuclear rhenium clusters.","Inorganic chemistry","2014","53","13","6578","6584","10.1021/ic500162x","","","0.71073","MoKα","","0.0937","0.0365","","","0.039","0.0423","","","","","","0.979","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338832","10.369","0.003","10.409","0.003","13.138","0.004","104.98","0.03","96.37","0.03","105.83","0.03","1292.5","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Dodeca-μ-oxido-hexa(3-methylpyridine)-octahedro-hexarenium(12 Re-Re) -water (1/11)","","- C36 H64 N6 O23 Re6 -","- C36 H64 N6 O23 Re6 -","- C36 H64 N6 O23 Re6 -","1","0.5","","Krawczyk, Marta S.; Krawczyk, Monika K.; Siczek, Miłosz; Lis, Tadeusz","First oxido-bridged cubo-octahedral hexanuclear rhenium clusters.","Inorganic chemistry","2014","53","13","6578","6584","10.1021/ic500162x","","","0.71073","MoKα","","0.0398","0.0307","","","0.0696","0.0725","","","","","","1.143","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338833","8.8112","0.0012","9.2356","0.0012","15.011","0.002","97.941","0.002","106.866","0.002","94.495","0.002","1148.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 N4 Na3 O18 Yb -","- C14 H14 N4 Na3 O18 Yb -","- C28 H28 N8 Na6 O36 Yb2 -","2","1","","Zheng, Xiang-Jun; Ablet, Ayjamal; Ng, Christie; Wong, Wing-Tak","Intensive Upconversion Luminescence of Na-Codoped Rare-Earth Oxides with a Novel RE-Na Heterometallic Complex as Precursor.","Inorganic chemistry","2014","53","13","6788","6793","10.1021/ic500592k","","","0.71073","MoKα","","0.0443","0.034","","","0.0668","0.0716","","","","","","1.017","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338834","8.8391","0.0007","9.2446","0.0007","15.0589","0.0012","98.218","0.001","106.53","0.001","94.732","0.001","1157.67","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Ho N4 Na3 O18 -","- C14 H14 Ho N4 Na3 O18 -","- C28 H28 Ho2 N8 Na6 O36 -","2","1","","Zheng, Xiang-Jun; Ablet, Ayjamal; Ng, Christie; Wong, Wing-Tak","Intensive Upconversion Luminescence of Na-Codoped Rare-Earth Oxides with a Novel RE-Na Heterometallic Complex as Precursor.","Inorganic chemistry","2014","53","13","6788","6793","10.1021/ic500592k","","","0.71073","MoKα","","0.0497","0.04","","","0.0975","0.1217","","","","","","1.111","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338835","8.8294","0.0009","9.2401","0.001","15.0407","0.0016","98.12","0.002","106.659","0.002","94.655","0.002","1154.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Er N4 Na3 O18 -","- C14 H14 Er N4 Na3 O18 -","- C28 H28 Er2 N8 Na6 O36 -","2","1","","Zheng, Xiang-Jun; Ablet, Ayjamal; Ng, Christie; Wong, Wing-Tak","Intensive Upconversion Luminescence of Na-Codoped Rare-Earth Oxides with a Novel RE-Na Heterometallic Complex as Precursor.","Inorganic chemistry","2014","53","13","6788","6793","10.1021/ic500592k","","","0.71073","MoKα","","0.0734","0.0481","","","0.1059","0.1377","","","","","","1.066","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338836","8.8392","0.001","9.2461","0.001","15.0662","0.0016","98.184","0.002","106.541","0.002","94.703","0.002","1158.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 N4 Na3 O18 Y -","- C14 H14 N4 Na3 O18 Y -","- C28 H28 N8 Na6 O36 Y2 -","2","1","","Zheng, Xiang-Jun; Ablet, Ayjamal; Ng, Christie; Wong, Wing-Tak","Intensive Upconversion Luminescence of Na-Codoped Rare-Earth Oxides with a Novel RE-Na Heterometallic Complex as Precursor.","Inorganic chemistry","2014","53","13","6788","6793","10.1021/ic500592k","","","0.71073","MoKα","","0.0869","0.053","","","0.1058","0.1283","","","","","","1.016","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338837","13.177","0.0012","15.3556","0.0015","19.7948","0.0016","92.03","0.007","106.571","0.006","96.654","0.007","3803.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H30 Cl12 Fe O13 S24 -","- C51 H30 Cl12 Fe O13 S24 -","- C102 H60 Cl24 Fe2 O26 S48 -","2","1","","Atzori, Matteo; Pop, Flavia; Auban-Senzier, Pascale; Gómez-García, Carlos J; Canadell, Enric; Artizzu, Flavia; Serpe, Angela; Deplano, Paola; Avarvari, Narcis; Mercuri, Maria Laura","Structural Diversity and Physical Properties of Paramagnetic Molecular Conductors Based on Bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) and the Tris(chloranilato)ferrate(III) Complex.","Inorganic chemistry","2014","53","13","7028","7039","10.1021/ic501001r","","","0.71073","MoKα","","0.1166","0.07","","","0.1762","0.2162","","","","","","1.037","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338838","13.3816","0.0014","16.1516","0.0017","24.269","0.002","104.052","0.008","93.403","0.007","101.751","0.007","4949","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H40 Cl6 Fe O16 S40 -","- C68 H40 Cl6 Fe O16 S40 -","- C136 H80 Cl12 Fe2 O32 S80 -","2","1","","Atzori, Matteo; Pop, Flavia; Auban-Senzier, Pascale; Gómez-García, Carlos J; Canadell, Enric; Artizzu, Flavia; Serpe, Angela; Deplano, Paola; Avarvari, Narcis; Mercuri, Maria Laura","Structural Diversity and Physical Properties of Paramagnetic Molecular Conductors Based on Bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) and the Tris(chloranilato)ferrate(III) Complex.","Inorganic chemistry","2014","53","13","7028","7039","10.1021/ic501001r","","","0.71073","MoKα","","0.1637","0.1065","","","0.2738","0.3077","","","","","","1.079","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338839","20.9445","0.0004","26.6794","0.0007","33.9306","0.0007","68.231","0.002","80.742","0.002","71.238","0.002","16653.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C237 H150 Cl24 Fe3 O42 S144 -","- C237 H150 Cl24 Fe3 O42 S144 -","- C474 H300 Cl48 Fe6 O84 S288 -","2","1","","Atzori, Matteo; Pop, Flavia; Auban-Senzier, Pascale; Gómez-García, Carlos J; Canadell, Enric; Artizzu, Flavia; Serpe, Angela; Deplano, Paola; Avarvari, Narcis; Mercuri, Maria Laura","Structural Diversity and Physical Properties of Paramagnetic Molecular Conductors Based on Bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) and the Tris(chloranilato)ferrate(III) Complex.","Inorganic chemistry","2014","53","13","7028","7039","10.1021/ic501001r","","","0.71073","MoKα","","0.1788","0.1202","","","0.297","0.3505","","","","","","1.041","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4339951","19.499","0.005","13.546","0.003","28.385","0.005","90","","108.526","0.015","90","","7109","3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H45 F3 N7 Na O11 S -","- C26 H45 F3 N7 Na O11 S -","- C208 H360 F24 N56 Na8 O88 S8 -","8","4","","Wiener, Erik C.; Abadjian, Marie-Caline; Sengar, Raghvendra; Vander Elst, Luce; Van Niekerk, Christoffel; Grotjahn, Douglas B.; Leung, Po Yee; Schulte, Christie; Moore, Curtis E.; Rheingold, Arnold L.","Bifunctional chelates optimized for molecular MRI.","Inorganic chemistry","2014","53","13","6554","6568","10.1021/ic500085g","","","1.54178","CuKα","","0.1064","0.0986","","","0.2673","0.285","","","","","","1.056","","","","has coordinates,has disorder","179502","2020-10-21","18:00:00",""
"4339952","10.576","0.0008","13.0209","0.0009","24.2852","0.0017","90","","100.771","0.006","90","","3285.4","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H39 F3 N7 Na O11 S -","- C23 H39 F3 N7 Na O11 S -","- C92 H156 F12 N28 Na4 O44 S4 -","4","2","","Wiener, Erik C.; Abadjian, Marie-Caline; Sengar, Raghvendra; Vander Elst, Luce; Van Niekerk, Christoffel; Grotjahn, Douglas B.; Leung, Po Yee; Schulte, Christie; Moore, Curtis E.; Rheingold, Arnold L.","Bifunctional chelates optimized for molecular MRI.","Inorganic chemistry","2014","53","13","6554","6568","10.1021/ic500085g","","","1.54184","CuKα","","0.149","0.0831","","","0.2064","0.2504","","","","","","1.019","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339953","13.3559","0.0004","8.4468","0.0002","10.5455","0.0003","90","","101.533","0.001","90","","1165.67","0.06","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Scandium octauranium heptadecasulfide","","- S17 Sc U8 -","- S17 Sc U8 -","- S34 Sc2 U16 -","2","0.25","","Ward, Matthew D.; Mesbah, Adel; Minasian, Stefan G.; Shuh, David K.; Tyliszczak, Tolek; Lee, Minseong; Choi, Eun Sang; Lebègue, Sébastien; Ibers, James A.","Synthesis and Characterization of Eight Compounds of the MU8Q17 Family: ScU8S17, CoU8S17, NiU8S17, TiU8Se17, VU8Se17, CrU8Se17, CoU8Se17, and NiU8Se17.","Inorganic chemistry","2014","53","13","6920","6927","10.1021/ic500721d","","","0.71073","MoKα","","0.0235","0.0222","","","0.0512","0.0515","","","","","","1.632","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339954","13.889","0.0004","8.8141","0.0002","10.8876","0.0003","90","","101.369","0.001","90","","1306.7","0.06","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Titanium(II) octauranium(IV) heptadecaselenide","","- Se17 Ti U8 -","- Se17 Ti U8 -","- Se34 Ti2 U16 -","2","0.25","","Ward, Matthew D.; Mesbah, Adel; Minasian, Stefan G.; Shuh, David K.; Tyliszczak, Tolek; Lee, Minseong; Choi, Eun Sang; Lebègue, Sébastien; Ibers, James A.","Synthesis and Characterization of Eight Compounds of the MU8Q17 Family: ScU8S17, CoU8S17, NiU8S17, TiU8Se17, VU8Se17, CrU8Se17, CoU8Se17, and NiU8Se17.","Inorganic chemistry","2014","53","13","6920","6927","10.1021/ic500721d","","","0.71073","MoKα","","0.0244","0.023","","","0.0643","0.0648","","","","","","1.256","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339955","13.9192","0.0004","8.7569","0.0002","10.8758","0.0003","90","","101.561","0.001","90","","1298.75","0.06","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Vanadium(II) octauranium(IV) heptadecaselenide","","- Se17 U8 V -","- Se17 U8 V -","- Se34 U16 V2 -","2","0.25","","Ward, Matthew D.; Mesbah, Adel; Minasian, Stefan G.; Shuh, David K.; Tyliszczak, Tolek; Lee, Minseong; Choi, Eun Sang; Lebègue, Sébastien; Ibers, James A.","Synthesis and Characterization of Eight Compounds of the MU8Q17 Family: ScU8S17, CoU8S17, NiU8S17, TiU8Se17, VU8Se17, CrU8Se17, CoU8Se17, and NiU8Se17.","Inorganic chemistry","2014","53","13","6920","6927","10.1021/ic500721d","","","0.71073","MoKα","","0.0239","0.021","","","0.0449","0.0457","","","","","","1.135","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339956","13.8485","0.0005","8.7846","0.0003","10.8795","0.0004","90","","101.728","0.0019","90","","1295.9","0.08","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cr Se17 U8 -","- Cr Se17 U8 -","- Cr2 Se34 U16 -","2","0.25","","Ward, Matthew D.; Mesbah, Adel; Minasian, Stefan G.; Shuh, David K.; Tyliszczak, Tolek; Lee, Minseong; Choi, Eun Sang; Lebègue, Sébastien; Ibers, James A.","Synthesis and Characterization of Eight Compounds of the MU8Q17 Family: ScU8S17, CoU8S17, NiU8S17, TiU8Se17, VU8Se17, CrU8Se17, CoU8Se17, and NiU8Se17.","Inorganic chemistry","2014","53","13","6920","6927","10.1021/ic500721d","","","0.71073","MoKα","","0.0301","0.0262","","","0.0588","0.0601","","","","","","1.156","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339957","13.3045","0.0005","8.3634","0.0003","10.4079","0.0004","90","","101.571","0.002","90","","1134.56","0.07","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cobalt(II) octauranium(IV) heptadecasulfide","","- Co S17 U8 -","- Co S17 U8 -","- Co2 S34 U16 -","2","0.25","","Ward, Matthew D.; Mesbah, Adel; Minasian, Stefan G.; Shuh, David K.; Tyliszczak, Tolek; Lee, Minseong; Choi, Eun Sang; Lebègue, Sébastien; Ibers, James A.","Synthesis and Characterization of Eight Compounds of the MU8Q17 Family: ScU8S17, CoU8S17, NiU8S17, TiU8Se17, VU8Se17, CrU8Se17, CoU8Se17, and NiU8Se17.","Inorganic chemistry","2014","53","13","6920","6927","10.1021/ic500721d","","","0.71073","MoKα","","0.0193","0.019","","","0.0406","0.0406","","","","","","2.337","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339958","13.8743","0.0007","8.7194","0.0004","10.8342","0.0005","90","","101.798","0.002","90","","1282.98","0.11","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cobalt(II) octauranium(IV) heptadecaselinide","","- Co Se17 U8 -","- Co Se17 U8 -","- Co2 Se34 U16 -","2","0.25","","Ward, Matthew D.; Mesbah, Adel; Minasian, Stefan G.; Shuh, David K.; Tyliszczak, Tolek; Lee, Minseong; Choi, Eun Sang; Lebègue, Sébastien; Ibers, James A.","Synthesis and Characterization of Eight Compounds of the MU8Q17 Family: ScU8S17, CoU8S17, NiU8S17, TiU8Se17, VU8Se17, CrU8Se17, CoU8Se17, and NiU8Se17.","Inorganic chemistry","2014","53","13","6920","6927","10.1021/ic500721d","","","0.71073","MoKα","","0.0296","0.029","","","0.0835","0.0837","","","","","","1.812","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339959","13.2685","0.0006","8.3504","0.0003","10.3797","0.0005","90","","101.538","0.0017","90","","1126.8","0.09","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Nickel(II) octauranium(IV) heptadecasulfide","","- Ni S17 U8 -","- Ni S17 U8 -","- Ni2 S34 U16 -","2","0.25","","Ward, Matthew D.; Mesbah, Adel; Minasian, Stefan G.; Shuh, David K.; Tyliszczak, Tolek; Lee, Minseong; Choi, Eun Sang; Lebègue, Sébastien; Ibers, James A.","Synthesis and Characterization of Eight Compounds of the MU8Q17 Family: ScU8S17, CoU8S17, NiU8S17, TiU8Se17, VU8Se17, CrU8Se17, CoU8Se17, and NiU8Se17.","Inorganic chemistry","2014","53","13","6920","6927","10.1021/ic500721d","","","0.71073","MoKα","","0.032","0.0298","","","0.0847","0.0858","","","","","","1.191","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339960","13.8851","0.0004","8.8016","0.0002","10.8799","0.0003","90","","101.401","0.001","90","","1303.41","0.06","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Nickel(II) octauranium(IV) heptadecaselenide","","- Ni Se17 U8 -","- Ni Se17 U8 -","- Ni2 Se34 U16 -","2","0.25","","Ward, Matthew D.; Mesbah, Adel; Minasian, Stefan G.; Shuh, David K.; Tyliszczak, Tolek; Lee, Minseong; Choi, Eun Sang; Lebègue, Sébastien; Ibers, James A.","Synthesis and Characterization of Eight Compounds of the MU8Q17 Family: ScU8S17, CoU8S17, NiU8S17, TiU8Se17, VU8Se17, CrU8Se17, CoU8Se17, and NiU8Se17.","Inorganic chemistry","2014","53","13","6920","6927","10.1021/ic500721d","","","0.71073","MoKα","","0.0346","0.0326","","","0.0937","0.095","","","","","","1.323","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339961","10.6017","0.0011","13.5051","0.0009","14.6823","0.0004","67.708","0.012","81.07","0.014","87.903","0.018","1920.9","0.3","123.15","","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C44.5 H57 N O2 -","- C44.5 H57 N O2 -","- C89 H114 N2 O4 -","2","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation.","Inorganic chemistry","2014","53","13","6775","6787","10.1021/ic5005853","","","0.71075","MoKα","","0.1234","0.071","","","0.153","0.1848","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4339962","14.879","0.0006","19.6314","0.0008","32.3606","0.0014","90","","96.914","0.002","90","","9383.7","0.7","123.15","","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C103 H126 K4 N2 O4 -","- C103 H126 K4 N2 O4 -","- C412 H504 K16 N8 O16 -","4","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation.","Inorganic chemistry","2014","53","13","6775","6787","10.1021/ic5005853","","","0.71075","MoKα","","0.069","0.0498","","","0.1217","0.1343","","","","","","1.077","","","","has coordinates,has disorder","179502","2020-10-21","18:00:00",""
"4339963","16.015","0.004","17.626","0.005","18.858","0.004","77.16","0.008","70.705","0.006","86.825","0.007","4898","2","123.15","","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H142 N2 Na4 O6 -","- C111 H142 N2 Na4 O6 -","- C222 H284 N4 Na8 O12 -","2","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation.","Inorganic chemistry","2014","53","13","6775","6787","10.1021/ic5005853","","","0.71075","MoKα","","0.0668","0.0486","","","0.1141","0.1285","","","","","","1.053","","","","has coordinates,has disorder","179502","2020-10-21","18:00:00",""
"4339964","15.4706","0.0017","18.03","0.002","34.053","0.004","90","","90","","90","","9498.6","1.9","123.15","","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49 H71 N Na2 O6 -","- C49 H71 N Na2 O6 -","- C392 H568 N8 Na16 O48 -","8","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation.","Inorganic chemistry","2014","53","13","6775","6787","10.1021/ic5005853","","","0.71075","MoKα","","0.1001","0.0822","","","0.1933","0.2062","","","","","","1.172","","","","has coordinates,has disorder","179502","2020-10-21","18:00:00",""
"4339965","14.396","0.006","17.804","0.007","23.302","0.008","101.93","0.003","93.093","0.003","113.386","0.002","5302","4","123","","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H156 K6 N2 O11 -","- C110 H156 K6 N2 O11 -","- C220 H312 K12 N4 O22 -","2","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation.","Inorganic chemistry","2014","53","13","6775","6787","10.1021/ic5005853","","","0.71075","MoKα","","0.1419","0.0651","","","0.1197","0.1866","","","","","","1.231","","","","has coordinates,has disorder","179502","2020-10-21","18:00:00",""
"4339966","12.042","0.002","16.809","0.003","29.107","0.006","90","","97.968","0.003","90","","5834.8","1.9","123.15","","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H86 N Na3 O8 -","- C53 H80 N Na3 O8 -","- C212 H320 N4 Na12 O32 -","4","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation.","Inorganic chemistry","2014","53","13","6775","6787","10.1021/ic5005853","","","0.71075","MoKα","","0.188","0.0948","","","0.22","0.2761","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339967","36.094","0.007","13.37","0.002","26.077","0.005","90","","121.573","0.002","90","","10721","3","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59.5 H78 Cl Cr Li N O4 -","- C59.5 H78 Cl Cr Li N O4 -","- C476 H624 Cl8 Cr8 Li8 N8 O32 -","8","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation.","Inorganic chemistry","2014","53","13","6775","6787","10.1021/ic5005853","","","0.71075","MoKα","","0.0951","0.0725","","","0.1996","0.2256","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4339968","15.9632","0.0016","13.6482","0.0013","22.591","0.002","90","","104.074","0.0012","90","","4774.1","0.8","123.15","","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55.5 H70 N O3 V -","- C55.5 H70 N O3 V -","- C222 H280 N4 O12 V4 -","4","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation.","Inorganic chemistry","2014","53","13","6775","6787","10.1021/ic5005853","","","0.71075","MoKα","","0.0616","0.0519","","","0.1274","0.135","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4339969","10.8758","0.0015","15.063","0.003","17.402","0.003","108.08","0.005","97.627","0.006","96.668","0.004","2648.4","0.8","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C62.5 H76 N O2 V -","- C62.5 H76 N O2 V -","- C125 H152 N2 O4 V2 -","2","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation.","Inorganic chemistry","2014","53","13","6775","6787","10.1021/ic5005853","","","0.71075","MoKα","","0.1129","0.0718","","","0.1784","0.2119","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4339970","13.238","0.002","13.7138","0.0019","14.4689","0.0015","60.738","0.011","65.948","0.012","71.376","0.013","2068.7","0.5","123.15","","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H58 N O3 V -","- C48 H58 N O3 V -","- C96 H116 N2 O6 V2 -","2","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation.","Inorganic chemistry","2014","53","13","6775","6787","10.1021/ic5005853","","","0.71075","MoKα","","0.0719","0.0522","","","0.1328","0.1465","","","","","","1.068","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339971","11.032","0.003","14.833","0.005","16.368","0.005","85.84","0.007","83.155","0.008","79.888","0.007","2614.4","1.4","123","","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H72 N5 O2 V -","- C59 H72 N5 O2 V -","- C118 H144 N10 O4 V2 -","2","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation.","Inorganic chemistry","2014","53","13","6775","6787","10.1021/ic5005853","","","0.71075","MoKα","","0.0755","0.0555","","","0.1434","0.1627","","","","","","1.07","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339972","9.7431","0.0002","13.9008","0.0003","12.031","0.0002","90","","97.243","0.002","90","","1616.44","0.06","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 Dy N2 O5 -","- C20 H11 Dy N2 O5 -","- C80 H44 Dy4 N8 O20 -","4","1","","Chen, Min; Sañudo, E Carolina; Jiménez, Erika; Fang, Shao-Ming; Liu, Chun-Sen; Du, Miao","Lanthanide-Organic Coordination Frameworks Showing New 5-Connected Network Topology and 3D Ordered Array of Single-Molecular Magnet Behavior in the Dy Case.","Inorganic chemistry","2014","53","13","6708","6714","10.1021/ic500490x","","","0.71073","MoKα","","0.0321","0.0274","","","0.063","0.0652","","","","","","1.033","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339973","9.7723","0.0006","13.8718","0.0008","12.0958","0.0007","90","","97.2","0.006","90","","1626.77","0.17","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 Gd N2 O5 -","- C20 H11 Gd N2 O5 -","- C80 H44 Gd4 N8 O20 -","4","1","","Chen, Min; Sañudo, E Carolina; Jiménez, Erika; Fang, Shao-Ming; Liu, Chun-Sen; Du, Miao","Lanthanide-Organic Coordination Frameworks Showing New 5-Connected Network Topology and 3D Ordered Array of Single-Molecular Magnet Behavior in the Dy Case.","Inorganic chemistry","2014","53","13","6708","6714","10.1021/ic500490x","","","0.71073","MoKα","","0.0507","0.0366","","","0.0907","0.0931","","","","","","1.007","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339974","9.732","0.0006","13.9346","0.0008","11.9536","0.0008","90","","97.326","0.006","90","","1607.81","0.17","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 Ho N2 O5 -","- C20 H11 Ho N2 O5 -","- C80 H44 Ho4 N8 O20 -","4","1","","Chen, Min; Sañudo, E Carolina; Jiménez, Erika; Fang, Shao-Ming; Liu, Chun-Sen; Du, Miao","Lanthanide-Organic Coordination Frameworks Showing New 5-Connected Network Topology and 3D Ordered Array of Single-Molecular Magnet Behavior in the Dy Case.","Inorganic chemistry","2014","53","13","6708","6714","10.1021/ic500490x","","","0.71073","MoKα","","0.0661","0.0406","","","0.0831","0.087","","","","","","1.003","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339975","9.6993","0.0007","13.9504","0.001","11.9486","0.0008","90","","97.382","0.006","90","","1603.4","0.2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 Er N2 O5 -","- C20 H11 Er N2 O5 -","- C80 H44 Er4 N8 O20 -","4","1","","Chen, Min; Sañudo, E Carolina; Jiménez, Erika; Fang, Shao-Ming; Liu, Chun-Sen; Du, Miao","Lanthanide-Organic Coordination Frameworks Showing New 5-Connected Network Topology and 3D Ordered Array of Single-Molecular Magnet Behavior in the Dy Case.","Inorganic chemistry","2014","53","13","6708","6714","10.1021/ic500490x","","","0.71073","MoKα","","0.0704","0.0595","","","0.1476","0.1594","","","","","","1.058","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339976","9.7851","0.0011","13.9179","0.0016","12.1056","0.0014","90","","97.227","0.001","90","","1635.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H11 N2 O5 Tb -","- C20 H11 N2 O5 Tb -","- C80 H44 N8 O20 Tb4 -","4","1","","Chen, Min; Sañudo, E Carolina; Jiménez, Erika; Fang, Shao-Ming; Liu, Chun-Sen; Du, Miao","Lanthanide-Organic Coordination Frameworks Showing New 5-Connected Network Topology and 3D Ordered Array of Single-Molecular Magnet Behavior in the Dy Case.","Inorganic chemistry","2014","53","13","6708","6714","10.1021/ic500490x","","","0.71073","MoKα","","0.0193","0.0166","","","0.0382","0.0396","","","","","","1.051","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339979","11.125","0.0008","12.0487","0.0009","26.136","0.002","85.496","0.001","79.731","0.001","78.721","0.001","3377.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H70 O14 Sb6 Si2 -","- C68 H68 O14 Sb6 Si2 -","- C136 H136 O28 Sb12 Si4 -","2","1","","Kishore, Pilli V. V. N.; Baskar, Viswanathan","Hexa- and trinuclear organoantimony oxo clusters stabilized by organosilanols.","Inorganic chemistry","2014","53","13","6737","6742","10.1021/ic500541h","","","0.71073","MoKα","","0.0286","0.0245","","","0.0614","0.0636","","","","","","1.035","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339980","12.728","0.004","13.015","0.004","13.544","0.004","108.884","0.004","116.854","0.004","95.664","0.004","1812.5","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H74 O14 Sb6 Si2 -","- C72 H72 O14 Sb6 Si2 -","- C72 H72 O14 Sb6 Si2 -","1","0.5","","Kishore, Pilli V. V. N.; Baskar, Viswanathan","Hexa- and trinuclear organoantimony oxo clusters stabilized by organosilanols.","Inorganic chemistry","2014","53","13","6737","6742","10.1021/ic500541h","","","0.71073","MoKα","","0.0849","0.0624","","","0.1358","0.1464","","","","","","1.055","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339981","18.9322","0.0015","28.524","0.002","24.7911","0.0019","90","","102.755","0.001","90","","13057.4","1.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H57 N O9 Sb3 Si2 -","- C54 H55 N O9 Sb3 Si2 -","- C432 H440 N8 O72 Sb24 Si16 -","8","2","","Kishore, Pilli V. V. N.; Baskar, Viswanathan","Hexa- and trinuclear organoantimony oxo clusters stabilized by organosilanols.","Inorganic chemistry","2014","53","13","6737","6742","10.1021/ic500541h","","","0.71073","MoKα","","0.1002","0.0853","","","0.2457","0.2594","","","","","","1.095","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339982","11.3751","0.001","35.748","0.003","19.2299","0.0014","90","","110.493","0.004","90","","7324.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H70 O12 Sb6 Si2 -","- C79 H68 O12 Sb6 Si2 -","- C316 H272 O48 Sb24 Si8 -","4","1","","Kishore, Pilli V. V. N.; Baskar, Viswanathan","Hexa- and trinuclear organoantimony oxo clusters stabilized by organosilanols.","Inorganic chemistry","2014","53","13","6737","6742","10.1021/ic500541h","","","0.71073","MoKα","","0.0392","0.0353","","","0.0745","0.0761","","","","","","1.148","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339983","5.3833","0.0004","9.5535","0.0006","7.1233","0.0005","90","","90","","90","","366.35","0.04","293","","293","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Co2.53 Gd2 Si0.47 -","- Co2.53 Gd2 Si0.47 -","- Co10.12 Gd8 Si1.88 -","4","","","Tencé, Sophie; Caballero Flores, Rafael; Chable, Johann; Gorsse, Stéphane; Chevalier, Bernard; Gaudin, Etienne","Stabilization by Si Substitution of the Pseudobinary Compound Gd2(Co3-xSix) with Magnetocaloric Properties around Room Temperature.","Inorganic chemistry","2014","53","13","6728","6736","10.1021/ic500529b","","x-ray","0.71069","MoKα","","0.0282","0.026","","","0.0507","0.052","","","","1.1","1.1","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4339984","15.0204","0.0009","5.407","0.002","20.52","0.003","90","","90","","90","","1666.5","0.7","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi6.267 Cu1.6 O20 S3 -","- Bi6.267 Cu1.6 O20 S3 -","- Bi25.068 Cu6.4 O80 S12 -","4","0.5","","Lü, Minfeng; Colmont, Marie; Kabbour, Houria; Colis, Silviu; Mentré, Olivier","Revised bi/m layered oxo-sulfate (m = co, cu): a structural and magnetic study.","Inorganic chemistry","2014","53","13","6969","6978","10.1021/ic500877z","","","0.71073","MoKα","","0.0513","0.0407","","","0.0398","0.0472","","","","1.47","1.47","1.59","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4339985","5.4153","0.0002","14.2437","0.0006","15.7595","0.0007","90","","90","","90","","1215.59","0.09","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Bi2 Co O7 S -","- Bi2 Co O7 S -","- Bi16 Co8 O56 S8 -","8","1","","Lü, Minfeng; Colmont, Marie; Kabbour, Houria; Colis, Silviu; Mentré, Olivier","Revised bi/m layered oxo-sulfate (m = co, cu): a structural and magnetic study.","Inorganic chemistry","2014","53","13","6969","6978","10.1021/ic500877z","","","0.71073","MoKα","","0.0256","0.022","","","0.0264","0.0268","","","","1.63","1.63","1.57","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4339986","15.2834","0.0014","5.5468","0.0005","11.2272","0.001","90","","131.481","0.004","90","","713.05","0.12","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Bi6 Co O16 S2 -","- Bi6 Co O16 S2 -","- Bi12 Co2 O32 S4 -","2","0.5","","Lü, Minfeng; Colmont, Marie; Kabbour, Houria; Colis, Silviu; Mentré, Olivier","Revised bi/m layered oxo-sulfate (m = co, cu): a structural and magnetic study.","Inorganic chemistry","2014","53","13","6969","6978","10.1021/ic500877z","","","0.71073","MoKα","","0.046","0.038","","","0.0364","0.0374","","","","1.41","1.41","1.36","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339987","8.38","0.001","8.981","0.001","12.025","0.002","90","","96.03","0.01","90","","900","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 O14 Se4 -","- C8 H16 O14 Se4 -","- C16 H32 O28 Se8 -","2","0.5","","Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri","Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid.","Inorganic chemistry","2014","53","13","6569","6577","10.1021/ic500137z","","","0.71073","MoKα","","0.1208","0.0544","","","0.0708","0.0882","","","","","","0.972","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339988","17.3762","0.0002","10.8301","0.0001","17.5751","0.0002","90","","111.016","0.002","90","","3087.38","0.07","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 O11 Se3 -","- C8 H16 O11 Se3 -","- C64 H128 O88 Se24 -","8","2","","Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri","Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid.","Inorganic chemistry","2014","53","13","6569","6577","10.1021/ic500137z","","","0.71073","MoKα","","0.0233","0.0179","","","0.0382","0.0394","","","","","","1.065","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339989","11.9569","0.0004","5.4306","0.0001","17.4707","0.0008","90","","94.222","0.005","90","","1131.35","0.07","123","2","123","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C6 H10 O10 Se2 -","- C6 H10 O10 Se2 -","- C24 H40 O40 Se8 -","4","0.5","","Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri","Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid.","Inorganic chemistry","2014","53","13","6569","6577","10.1021/ic500137z","","","0.71073","MoKα","","0.0129","0.0124","","","0.0326","0.0327","","","","","","1.152","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339990","8.499","0.002","9.246","0.002","11.9","0.002","90","","90","","90","","935.1","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H4 O4 Se -","- C2 H4 O4 Se -","- C16 H32 O32 Se8 -","8","1","","Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri","Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid.","Inorganic chemistry","2014","53","13","6569","6577","10.1021/ic500137z","","","0.71073","MoKα","","0.0279","0.0244","","","0.0552","0.0568","","","","","","1.169","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339991","7.3786","0.0003","10.4307","0.0006","10.6527","0.0005","118.799","0.005","93.758","0.004","105.026","0.004","676.11","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 O5 Se -","- C4 H8 O5 Se -","- C16 H32 O20 Se4 -","4","2","","Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri","Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid.","Inorganic chemistry","2014","53","13","6569","6577","10.1021/ic500137z","","","0.71073","MoKα","","0.0234","0.0218","","","0.0546","0.0551","","","","","","1.237","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339992","7.008","0.002","20.213","0.006","5.462","0.002","90","","109.64","0.03","90","","728.7","0.4","153","2","153","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- O9 Se3 -","- O9 Se3 -","- O36 Se12 -","4","1","","Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri","Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid.","Inorganic chemistry","2014","53","13","6569","6577","10.1021/ic500137z","","","0.71073","MoKα","","0.0756","0.0512","","","0.1309","0.1443","","","","","","1.061","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339993","9.527","0.003","9.527","0.003","5.171","0.001","90","","90","","90","","469.3","0.2","153","2","153","2","","","","","","","","2","P -4 21 c","P -4 2n","114","","","","- O12 Se4 -","- O12 Se4 -","- O24 Se8 -","2","0.25","","Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri","Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid.","Inorganic chemistry","2014","53","13","6569","6577","10.1021/ic500137z","","","0.71073","MoKα","","0.0518","0.0298","","","0.0691","0.0752","","","","","","1.049","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339994","16.287","0.003","9.765","0.002","14.746","0.003","90","","117.01","0.03","90","","2089.4","0.9","123","2","123","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Cl16 Se4 -","- Cl16 Se4 -","- Cl64 Se16 -","4","0.5","","Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri","Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid.","Inorganic chemistry","2014","53","13","6569","6577","10.1021/ic500137z","","","0.71073","MoKα","","0.0493","0.0481","","","0.1367","0.1379","","","","","","1.148","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339995","13.6864","0.0006","7.6063","0.0004","7.5745","0.0003","90","","90.885","0.004","90","","788.43","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 O6 Se -","- C4 H10 O6 Se -","- C16 H40 O24 Se4 -","4","1","","Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri","Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid.","Inorganic chemistry","2014","53","13","6569","6577","10.1021/ic500137z","","","0.71073","MoKα","","0.0197","0.0185","","","0.0474","0.0479","","","","","","1.095","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339996","5.9908","0.0005","7.0818","0.0005","12.2584","0.0008","93.176","0.005","94.356","0.006","98.012","0.006","512.36","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 O9 Se2 -","- C4 H10 O9 Se2 -","- C8 H20 O18 Se4 -","2","1","","Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri","Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid.","Inorganic chemistry","2014","53","13","6569","6577","10.1021/ic500137z","","","0.71073","MoKα","","0.0232","0.019","","","0.0413","0.043","","","","","","1.102","","","","has coordinates,has disorder","179502","2020-10-21","18:00:00",""
"4339997","7.5","0.0018","26.912","0.007","23.054","0.006","90","","94.707","0.003","90","","4638","2","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H21 F15 N4 O3 Sn -","- C44 H21 F15 N4 O3 Sn -","- C176 H84 F60 N16 O12 Sn4 -","4","1","","Yun, Lin; Vazquez-Lima, Hugo; Fang, Huayi; Yao, Zhengmin; Geisberger, Georg; Dietl, Christian; Ghosh, Abhik; Brothers, Penelope J.; Fu, Xuefeng","Synthesis and Reactivity Studies of a Tin(II) Corrole Complex.","Inorganic chemistry","2014","53","13","7047","7054","10.1021/ic501103c","","","0.71073","MoKα","","0.0988","0.0842","","","0.192","0.2017","","","","","","1.142","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339998","14.946","0.003","9.5085","0.0004","15.1008","0.0009","90","","115.749","0.002","90","","1932.9","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H23 F15 N4 Sn -","- C43 H23 F15 N4 Sn -","- C86 H46 F30 N8 Sn2 -","2","1","","Yun, Lin; Vazquez-Lima, Hugo; Fang, Huayi; Yao, Zhengmin; Geisberger, Georg; Dietl, Christian; Ghosh, Abhik; Brothers, Penelope J.; Fu, Xuefeng","Synthesis and Reactivity Studies of a Tin(II) Corrole Complex.","Inorganic chemistry","2014","53","13","7047","7054","10.1021/ic501103c","","","0.71073","MoKα","","0.0306","0.0301","","","0.0742","0.0747","","","","","","1.079","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339999","10.3832","0.0009","11.3852","0.0011","16.1191","0.0014","79.258","0.006","84.779","0.006","71.547","0.006","1774.8","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.5 H36.5 Cl N4 Sn -","- C43.5 H36.5 Cl N4 Sn -","- C87 H73 Cl2 N8 Sn2 -","2","1","","Yun, Lin; Vazquez-Lima, Hugo; Fang, Huayi; Yao, Zhengmin; Geisberger, Georg; Dietl, Christian; Ghosh, Abhik; Brothers, Penelope J.; Fu, Xuefeng","Synthesis and Reactivity Studies of a Tin(II) Corrole Complex.","Inorganic chemistry","2014","53","13","7047","7054","10.1021/ic501103c","","","0.71073","MoKα","","0.071","0.0434","","","0.0897","0.1003","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340000","17.176","0.0006","17.176","0.0004","101.643","0.011","90","","90","0.002","120","0.008","25969","4","100","2","100","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C147 H47 Au Cl P3 -","- C146.999 H47 Au Cl1.00002 P3 -","- C1763.99 H564 Au12 Cl12.0002 P36 -","12","0.333333","","Konarev, Dmitri V.; Khasanov, Salavat S.; Otsuka, Akihiro; Ishikawa, Manabu; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Formation of Hexagonal Fullerene Layers from Neutral and Negatively Charged Fullerenes in {(Ph3P)3Au(+)}2(C60(•-))2(C60)·C6H4Cl2 Containing Gold Cations with the C3v Symmetry.","Inorganic chemistry","2014","53","13","6850","6855","10.1021/ic500689n","","","0.71073","MoKα","","0.0644","0.0379","","","0.0902","0.1027","","","","","","1.035","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340001","16.1078","0.0003","16.885","0.0003","19.3604","0.0003","90","","102.184","0.002","90","","5147.04","0.16","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H150 Bi2 Cl6 Mo8 N6 O26 -","- C68 H150 Bi2 Cl6 Mo8 N6 O26 -","- C136 H300 Bi4 Cl12 Mo16 N12 O52 -","2","0.5","","Adonin, Sergey A.; Peresypkina, Eugenia V.; Sokolov, Maxim N.; Korolkov, Ilya V.; Fedin, Vladimir P.","Polyoxomolybdate-Supported Bismuth Trihalides [Mo8O26(BiX3)2](4-) (X = Cl, Br, I): Syntheses and Study of Polymorphism.","Inorganic chemistry","2014","53","13","6886","6892","10.1021/ic500710t","","","1.54178","CuKα","","0.0348","0.0304","","","0.0778","0.0798","","","","","","1.004","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340002","15.5263","0.0003","17.2193","0.0003","18.7055","0.0003","90","","99.763","0.002","90","","4928.53","0.15","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H144 Bi2 Cl6 Mo8 N4 O26 -","- C64 H144 Bi2 Cl6 Mo8 N4 O26 -","- C128 H288 Bi4 Cl12 Mo16 N8 O52 -","2","0.5","","Adonin, Sergey A.; Peresypkina, Eugenia V.; Sokolov, Maxim N.; Korolkov, Ilya V.; Fedin, Vladimir P.","Polyoxomolybdate-Supported Bismuth Trihalides [Mo8O26(BiX3)2](4-) (X = Cl, Br, I): Syntheses and Study of Polymorphism.","Inorganic chemistry","2014","53","13","6886","6892","10.1021/ic500710t","","","0.71073","MoKα","","0.0866","0.0332","","","0.0567","0.0603","","","","","","0.723","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340003","16.203","0.0002","16.9342","0.0003","19.4793","0.0003","90","","102.25","0.002","90","","5223.13","0.14","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H150 Bi2 Br6 Mo8 N6 O26 -","- C68 H150 Bi2 Br6 Mo8 N6 O26 -","- C136 H300 Bi4 Br12 Mo16 N12 O52 -","2","0.5","","Adonin, Sergey A.; Peresypkina, Eugenia V.; Sokolov, Maxim N.; Korolkov, Ilya V.; Fedin, Vladimir P.","Polyoxomolybdate-Supported Bismuth Trihalides [Mo8O26(BiX3)2](4-) (X = Cl, Br, I): Syntheses and Study of Polymorphism.","Inorganic chemistry","2014","53","13","6886","6892","10.1021/ic500710t","","","0.71073","MoKα","","0.0594","0.0313","","","0.0513","0.0532","","","","","","0.78","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340004","15.7271","0.0003","17.0654","0.0003","18.8408","0.0003","90","","99.593","0.002","90","","4985.96","0.15","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H144 Bi2 Br6 Mo8 N4 O26 -","- C64 H144 Bi2 Br6 Mo8 N4 O26 -","- C128 H288 Bi4 Br12 Mo16 N8 O52 -","2","0.5","","Adonin, Sergey A.; Peresypkina, Eugenia V.; Sokolov, Maxim N.; Korolkov, Ilya V.; Fedin, Vladimir P.","Polyoxomolybdate-Supported Bismuth Trihalides [Mo8O26(BiX3)2](4-) (X = Cl, Br, I): Syntheses and Study of Polymorphism.","Inorganic chemistry","2014","53","13","6886","6892","10.1021/ic500710t","","","0.71073","MoKα","","0.0727","0.0347","","","0.04","0.0433","","","","","","0.67","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340005","16.4558","0.001","16.7492","0.0008","19.4562","0.0014","90","","107.579","0.002","90","","5112.1","0.5","123","0.2","123","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H144 Bi2 I6 Mo8 N4 O26 -","- C64 H144 Bi2 I6 Mo8 N4 O26 -","- C128 H288 Bi4 I12 Mo16 N8 O52 -","2","0.5","","Adonin, Sergey A.; Peresypkina, Eugenia V.; Sokolov, Maxim N.; Korolkov, Ilya V.; Fedin, Vladimir P.","Polyoxomolybdate-Supported Bismuth Trihalides [Mo8O26(BiX3)2](4-) (X = Cl, Br, I): Syntheses and Study of Polymorphism.","Inorganic chemistry","2014","53","13","6886","6892","10.1021/ic500710t","","","0.71073","MoKα","","0.0752","0.0409","","","0.0683","0.078","","","","","","0.995","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340006","17.386","0.0003","17.3957","0.0002","17.0461","0.0002","90","","90.172","0.001","90","","5155.43","0.12","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H144 Bi2 I6 Mo8 N4 O26 -","- C64 H140 Bi2 I6 Mo8 N4 O26 -","- C128 H280 Bi4 I12 Mo16 N8 O52 -","2","0.5","","Adonin, Sergey A.; Peresypkina, Eugenia V.; Sokolov, Maxim N.; Korolkov, Ilya V.; Fedin, Vladimir P.","Polyoxomolybdate-Supported Bismuth Trihalides [Mo8O26(BiX3)2](4-) (X = Cl, Br, I): Syntheses and Study of Polymorphism.","Inorganic chemistry","2014","53","13","6886","6892","10.1021/ic500710t","","","0.71073","MoKα","","0.0611","0.0283","","","0.0463","0.0486","","","","","","0.778","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340007","18.4441","0.0006","16.4254","0.0005","18.437","0.0005","90","","113.861","0.001","90","","5108.1","0.3","123","0.2","123","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H144 Bi2 I6 Mo8 N4 O26 -","- C64 H144 Bi2 I6 Mo8 N4 O26 -","- C128 H288 Bi4 I12 Mo16 N8 O52 -","2","0.5","","Adonin, Sergey A.; Peresypkina, Eugenia V.; Sokolov, Maxim N.; Korolkov, Ilya V.; Fedin, Vladimir P.","Polyoxomolybdate-Supported Bismuth Trihalides [Mo8O26(BiX3)2](4-) (X = Cl, Br, I): Syntheses and Study of Polymorphism.","Inorganic chemistry","2014","53","13","6886","6892","10.1021/ic500710t","","","0.71073","MoKα","","0.0537","0.0305","","","0.0532","0.0607","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340008","25.6676","0.0007","25.668","","25.668","","90","","90","","90","","16911","0.5","100","2","100","2","","","","","","","","3","F m m m","-F 2 2","69","IRMOF-1-L1","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.25","","Allen, C. A.; Cohen, S. M.","Exploration of chemically cross-linked metal-organic frameworks.","Inorganic chemistry","2014","53","13","7014","7019","10.1021/ic500951b","","","1.54178","CuKα","","0.0714","0.067","","","0.2132","0.2217","","","","","","1.145","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340009","25.5228","0.0012","25.5228","0.0012","25.5228","0.0012","90","","90","","90","","16625.9","1.4","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","IRMOF-1-L3","","","- C34.63 O23 Zn4 -","- C33.12 O26.12 Zn4 -","- C264.96 O208.96 Zn32 -","8","0.0416667","","Allen, C. A.; Cohen, S. M.","Exploration of chemically cross-linked metal-organic frameworks.","Inorganic chemistry","2014","53","13","7014","7019","10.1021/ic500951b","","","1.54178","CuKα","","0.173","0.1658","","","0.4315","0.4678","","","","","","2.247","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340010","25.5553","0.0018","25.5553","0.0018","25.5553","0.0018","90","","90","","90","","16689","2","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","IRMOF-1-L5","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0416667","","Allen, C. A.; Cohen, S. M.","Exploration of chemically cross-linked metal-organic frameworks.","Inorganic chemistry","2014","53","13","7014","7019","10.1021/ic500951b","","","0.71073","MoKα","","0.0847","0.0615","","","0.1896","0.2001","","","","","","1.015","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340011","25.5193","0.0014","25.5193","0.0014","25.5193","0.0014","90","","90","","90","","16619.1","1.6","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","IRMOF-1-L6","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0416667","","Allen, C. A.; Cohen, S. M.","Exploration of chemically cross-linked metal-organic frameworks.","Inorganic chemistry","2014","53","13","7014","7019","10.1021/ic500951b","","","0.71073","MoKα","","0.086","0.0742","","","0.2351","0.2547","","","","","","1.162","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340012","6.7795","0.0003","14.1186","0.0006","22.181","0.0009","90","","92.233","0.004","90","","2121.49","0.16","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Au2 Cl2 P2 -","- C16 H32 Au2 Cl2 P2 -","- C64 H128 Au8 Cl8 P8 -","4","1","","Streitberger, Markus; Schmied, Andy; Hey-Hawkins, Evamarie","Selective formation of gold(i) bis-phospholane macrocycles, polymeric chains, and nanotubes.","Inorganic chemistry","2014","53","13","6794","6804","10.1021/ic5006055","","","0.71073","MoKα","","0.0553","0.0429","","","0.1133","0.1171","","","","","","0.98","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340013","10.2748","0.0003","11.5018","0.0004","23.2658","0.0008","81.722","0.003","80.344","0.003","87.525","0.003","2681.82","0.16","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H78 Au2 B2 Cl2 F8 P4 -","- C39.001 H78.002 Au2 B2 Cl2.002 F8 P4 -","- C78.002 H156.004 Au4 B4 Cl4.004 F16 P8 -","2","1","","Streitberger, Markus; Schmied, Andy; Hey-Hawkins, Evamarie","Selective formation of gold(i) bis-phospholane macrocycles, polymeric chains, and nanotubes.","Inorganic chemistry","2014","53","13","6794","6804","10.1021/ic5006055","","","0.71073","MoKα","","0.0623","0.0407","","","0.0922","0.1011","","","","","","1.142","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340014","6.8992","0.0001","19.9755","0.0003","17.2317","0.0003","90","","97.627","0.002","90","","2353.78","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Au2 Cl2 P2 -","- C18 H36 Au2 Cl2 P2 -","- C72 H144 Au8 Cl8 P8 -","4","1","","Streitberger, Markus; Schmied, Andy; Hey-Hawkins, Evamarie","Selective formation of gold(i) bis-phospholane macrocycles, polymeric chains, and nanotubes.","Inorganic chemistry","2014","53","13","6794","6804","10.1021/ic5006055","","","0.71073","MoKα","","0.0455","0.0266","","","0.0496","0.0558","","","","","","1.013","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340015","10.373","0.005","11.056","0.005","20.902","0.005","91.183","0.005","91.242","0.005","94.818","0.005","2387.5","1.7","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H144 Au4 B4 F16 P8 -","- C75 H144 Au4 B4 F16 P8 -","- C75 H144 Au4 B4 F16 P8 -","1","0.5","","Streitberger, Markus; Schmied, Andy; Hey-Hawkins, Evamarie","Selective formation of gold(i) bis-phospholane macrocycles, polymeric chains, and nanotubes.","Inorganic chemistry","2014","53","13","6794","6804","10.1021/ic5006055","","","0.71073","MoKα","","0.0594","0.0371","","","0.0783","0.0866","","","","","","1.023","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340016","9.479","0.0004","11.754","0.0005","12.018","0.0004","101.647","0.003","95.928","0.003","101.72","0.003","1269.47","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H80 Au2 Cl6 P4 -","- C40 H80 Au2 Cl6 P4 -","- C40 H80 Au2 Cl6 P4 -","1","0.5","","Streitberger, Markus; Schmied, Andy; Hey-Hawkins, Evamarie","Selective formation of gold(i) bis-phospholane macrocycles, polymeric chains, and nanotubes.","Inorganic chemistry","2014","53","13","6794","6804","10.1021/ic5006055","","","0.71073","MoKα","","0.0309","0.026","","","0.0516","0.0539","","","","","","1.049","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340017","11.7958","0.00017","12.7899","0.00012","12.4567","0.0002","90","","111.648","0.0019","90","","1746.75","0.05","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 Au2 B2 F8 P4 -","- C26 H52 Au2 B2 F8 P4 -","- C52 H104 Au4 B4 F16 P8 -","2","0.5","","Streitberger, Markus; Schmied, Andy; Hey-Hawkins, Evamarie","Selective formation of gold(i) bis-phospholane macrocycles, polymeric chains, and nanotubes.","Inorganic chemistry","2014","53","13","6794","6804","10.1021/ic5006055","","","0.71073","MoKα","","0.0219","0.0189","","","0.041","0.0425","","","","","","1.079","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340018","24.1035","0.0007","13.5152","0.0002","15.17","0.0005","90","","128.363","0.005","90","","3874.9","0.3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H60 Au2 B2 F8 P4 -","- C30 H60 Au2 B2 F8 P4 -","- C120 H240 Au8 B8 F32 P16 -","4","0.5","","Streitberger, Markus; Schmied, Andy; Hey-Hawkins, Evamarie","Selective formation of gold(i) bis-phospholane macrocycles, polymeric chains, and nanotubes.","Inorganic chemistry","2014","53","13","6794","6804","10.1021/ic5006055","","","0.71073","MoKα","","0.0173","0.0157","","","0.0362","0.0371","","","","","","1.085","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340019","9.6825","0.0002","13.8949","0.0002","14.4712","0.0003","90","","98.118","0.002","90","","1927.41","0.06","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Au2 Cl2 P2 -","- C14 H28 Au2 Cl2 P2 -","- C56 H112 Au8 Cl8 P8 -","4","1","","Streitberger, Markus; Schmied, Andy; Hey-Hawkins, Evamarie","Selective formation of gold(i) bis-phospholane macrocycles, polymeric chains, and nanotubes.","Inorganic chemistry","2014","53","13","6794","6804","10.1021/ic5006055","","","0.71073","MoKα","","0.027","0.0205","","","0.0394","0.0414","","","","","","1.045","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340020","12.5845","0.0003","19.8177","0.0006","20.1551","0.0006","104.162","0.003","100.406","0.002","96.329","0.002","4730.4","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C35.75 H71.5 Au2 Cl5.5 P4 -","- C34 H68 Au2 Cl P4 -","- C136 H272 Au8 Cl4 P16 -","4","2","","Streitberger, Markus; Schmied, Andy; Hey-Hawkins, Evamarie","Selective formation of gold(i) bis-phospholane macrocycles, polymeric chains, and nanotubes.","Inorganic chemistry","2014","53","13","6794","6804","10.1021/ic5006055","","","0.71073","MoKα","","0.0548","0.0421","","","0.0918","0.0958","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340021","9.17","0.0002","12.071","0.0002","19.441","0.0004","90","","96.255","0.002","90","","2139.13","0.07","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H64 Au2 Cl6 P4 -","- C32 H64 Au2 Cl6 P4 -","- C64 H128 Au4 Cl12 P8 -","2","0.5","","Streitberger, Markus; Schmied, Andy; Hey-Hawkins, Evamarie","Selective formation of gold(i) bis-phospholane macrocycles, polymeric chains, and nanotubes.","Inorganic chemistry","2014","53","13","6794","6804","10.1021/ic5006055","","","0.71073","MoKα","","0.0275","0.0203","","","0.0374","0.0397","","","","","","1.037","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340022","12.7022","0.0002","10.3779","0.0003","27.0709","0.0006","90","","90.711","0.002","90","","3568.27","0.14","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H54 Au2 Cl4 P4 -","- C27 H54 Au2 Cl4 P4 -","- C108 H216 Au8 Cl16 P16 -","4","1","","Streitberger, Markus; Schmied, Andy; Hey-Hawkins, Evamarie","Selective formation of gold(i) bis-phospholane macrocycles, polymeric chains, and nanotubes.","Inorganic chemistry","2014","53","13","6794","6804","10.1021/ic5006055","","","0.71073","MoKα","","0.0547","0.0445","","","0.0929","0.0963","","","","","","1.246","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340023","14.183","0.0004","15.9565","0.0004","18.5552","0.0006","79.598","0.002","71.313","0.003","73.709","0.003","3799.1","0.2","130","0.2","130","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H83 B3 Cu3 F12 N21 O5 -","- C67 H83 B3 Cu3 F12 N21 O5 -","- C134 H166 B6 Cu6 F24 N42 O10 -","2","1","","Connell, Timothy U.; Schieber, Christine; Silvestri, Ilaria Proietti; White, Jonathan M.; Williams, Spencer J.; Donnelly, Paul S.","Copper and Silver Complexes of Tris(triazole)amine and Tris(benzimidazole)amine Ligands: Evidence that Catalysis of an Azide-Alkyne Cycloaddition (""Click"") Reaction by a Silver Tris(triazole)amine Complex Arises from Copper Impurities.","Inorganic chemistry","2014","53","13","6503","6511","10.1021/ic5008999","","","1.54184","CuKα","","0.0545","0.0407","","","0.1089","0.1174","","","","","","1.005","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340024","12.537","0.005","12.735","0.005","14.852","0.005","108.124","0.005","103.591","0.005","106.069","0.005","2027.3","1.3","130","0.1","130","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C35 H39 B2 Cu F8 N14 -","- C35 H39 B2 Cu F8 N14 -","- C70 H78 B4 Cu2 F16 N28 -","2","1","","Connell, Timothy U.; Schieber, Christine; Silvestri, Ilaria Proietti; White, Jonathan M.; Williams, Spencer J.; Donnelly, Paul S.","Copper and Silver Complexes of Tris(triazole)amine and Tris(benzimidazole)amine Ligands: Evidence that Catalysis of an Azide-Alkyne Cycloaddition (""Click"") Reaction by a Silver Tris(triazole)amine Complex Arises from Copper Impurities.","Inorganic chemistry","2014","53","13","6503","6511","10.1021/ic5008999","","","0.7107","MoKα","","0.0732","0.0662","","","0.1773","0.1805","","","","","","1.147","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340025","14.2453","0.0011","16.5697","0.0015","26.1993","0.0018","93.61","0.006","97.437","0.006","113.695","0.008","5569.9","0.9","130","0.1","130","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C54 H57 Ag2 B2 F8 N14 O1.5 -","- C50 H47 Ag2 B1.5 F6 N14 O0.5 -","- C200 H188 Ag8 B6 F24 N56 O2 -","4","2","","Connell, Timothy U.; Schieber, Christine; Silvestri, Ilaria Proietti; White, Jonathan M.; Williams, Spencer J.; Donnelly, Paul S.","Copper and Silver Complexes of Tris(triazole)amine and Tris(benzimidazole)amine Ligands: Evidence that Catalysis of an Azide-Alkyne Cycloaddition (""Click"") Reaction by a Silver Tris(triazole)amine Complex Arises from Copper Impurities.","Inorganic chemistry","2014","53","13","6503","6511","10.1021/ic5008999","","","1.5418","CuKα","","0.225","0.0723","","","0.1564","0.1948","","","","","","0.685","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4340026","11.8407","0.0005","12.2913","0.0005","14.6737","0.0006","108.487","0.003","96.896","0.003","117.111","0.004","1712.01","0.16","130","0.2","130","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H31 Ag B F4 N11 -","- C32 H31 Ag B F4 N11 -","- C64 H62 Ag2 B2 F8 N22 -","2","1","","Connell, Timothy U.; Schieber, Christine; Silvestri, Ilaria Proietti; White, Jonathan M.; Williams, Spencer J.; Donnelly, Paul S.","Copper and Silver Complexes of Tris(triazole)amine and Tris(benzimidazole)amine Ligands: Evidence that Catalysis of an Azide-Alkyne Cycloaddition (""Click"") Reaction by a Silver Tris(triazole)amine Complex Arises from Copper Impurities.","Inorganic chemistry","2014","53","13","6503","6511","10.1021/ic5008999","","","1.54184","CuKα","","0.0337","0.0317","","","0.0841","0.087","","","","","","1.087","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340027","12.603","0.003","14.032","0.004","15.632","0.004","110.439","0.005","92.154","0.006","101.334","0.005","2522.9","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H96 O24 Ti6 -","- C108 H96 O24 Ti6 -","- C108 H96 O24 Ti6 -","1","0.5","","Wu, Yin-Yin; Lu, Xiao-Wen; Qi, Miao; Su, Hu-Chao; Zhao, Xiao-Wei; Zhu, Qin-Yu; Dai, Jie","Titanium-oxo cluster with 9-anthracenecarboxylate antennae: a fluorescent and photocurrent transfer material.","Inorganic chemistry","2014","53","14","7233","7240","10.1021/ic500390j","","","0.7107","MoKα","","0.1324","0.0922","","","0.1449","0.1636","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340028","10.5478","0.0017","13.3791","0.0018","14.9213","0.0014","62.925","0.007","76.066","0.009","86.708","0.01","1816.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H76 O22 Ti6 -","- C72 H76 O22 Ti6 -","- C72 H76 O22 Ti6 -","1","0.5","","Wu, Yin-Yin; Lu, Xiao-Wen; Qi, Miao; Su, Hu-Chao; Zhao, Xiao-Wei; Zhu, Qin-Yu; Dai, Jie","Titanium-oxo cluster with 9-anthracenecarboxylate antennae: a fluorescent and photocurrent transfer material.","Inorganic chemistry","2014","53","14","7233","7240","10.1021/ic500390j","","","0.71075","MoKα","","0.0548","0.0419","","","0.124","0.1312","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340029","4.568","0.002","16.027","0.008","18.453","0.009","90","","90","","90","","1351","1.1","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Rb0.4 Sm0.8 Te2 -","- Ag1.2 Rb0.4 Sm0.8 Te2 -","- Ag12 Rb4 Sm8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0234","0.0229","","","0.0602","0.0605","","","","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340030","4.548","0.003","16.06","0.011","18.417","0.013","90","","90","","90","","1345.2","1.6","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Gd0.8 Rb0.4 Te2 -","- Ag1.2 Gd0.8 Rb0.4 Te2 -","- Ag12 Gd8 Rb4 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0251","0.0236","","","0.0558","0.0566","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340031","4.529","0.003","16.061","0.013","18.32","0.013","90","","90","","90","","1332.6","1.7","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Rb0.4 Tb0.8 Te2 -","- Ag1.2 Rb0.4 Tb0.8 Te2 -","- Ag12 Rb4 Tb8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0305","0.0269","","","0.0618","0.0636","","","","","","1.107","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340032","4.5324","0.0008","16.102","0.002","18.324","0.003","90","","90","","90","","1337.3","0.4","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Dy0.8 Rb0.4 Te2 -","- Ag1.2 Dy0.8 Rb0.4 Te2 -","- Ag12 Dy8 Rb4 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0333","0.029","","","0.0489","0.0501","","","","","","1.206","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340033","4.62","0.002","16.232","0.008","18.835","0.01","90","","90","","90","","1412.5","1.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Cs0.4 Pr0.8 Te2 -","- Ag1.2 Cs0.4 Pr0.8 Te2 -","- Ag12 Cs4 Pr8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0289","0.0282","","","0.0699","0.0703","","","","","","1.224","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340034","4.609","0.003","16.217","0.009","18.749","0.011","90","","90","","90","","1401.4","1.5","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Cs0.4 Nd0.8 Te2 -","- Ag1.2 Cs0.4 Nd0.8 Te2 -","- Ag12 Cs4 Nd8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0211","0.02","","","0.0342","0.0344","","","","","","1.247","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340035","4.5795","0.0006","16.2514","0.0016","18.648","0.002","90","","90","","90","","1387.8","0.3","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Cs0.4 Sm0.8 Te2 -","- Ag1.2 Cs0.4 Sm0.8 Te2 -","- Ag12 Cs4 Sm8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0235","0.0208","","","0.041","0.0418","","","","","","1.221","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340036","4.552","0.003","16.255","0.011","18.552","0.013","90","","90","","90","","1372.7","1.6","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Cs0.4 Gd0.8 Te2 -","- Ag1.2 Cs0.4 Gd0.8 Te2 -","- Ag12 Cs4 Gd8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0282","0.0243","","","0.0492","0.0754","","","","","","1.336","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340037","4.5415","0.0006","16.304","0.003","18.502","0.002","90","","90","","90","","1370","0.3","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Cs0.4 Tb0.8 Te2 -","- Ag1.2 Cs0.4 Tb0.8 Te2 -","- Ag12 Cs4 Tb8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.021","0.0191","","","0.035","0.0356","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340038","4.523","0.003","16.286","0.012","18.471","0.014","90","","90","","90","","1360.6","1.7","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Cs0.4 Dy0.8 Te2 -","- Ag1.2 Cs0.4 Dy0.8 Te2 -","- Ag12 Cs4 Dy8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0345","0.0303","","","0.0651","0.0668","","","","","","1.174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340039","4.5226","0.001","16.299","0.003","18.455","0.004","90","","90","","90","","1360.4","0.5","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Cs0.4 Ho0.8 Te2 -","- Ag1.2 Cs0.4 Ho0.8 Te2 -","- Ag12 Cs4 Ho8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0344","0.028","","","0.0516","0.0534","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340040","4.504","0.002","16.316","0.008","18.409","0.01","90","","90","","90","","1352.8","1.2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag1.2 Cs0.4 Er0.8 Te2 -","- Ag1.2 Cs0.4 Er0.8 Te2 -","- Ag12 Cs4 Er8 Te20 -","10","0.625","","Meng, Chang-Yu; Chen, Hong; Wang, Peng","Syntheses, Structures, and Physical Properties of CsRE2Ag3Te5 (RE = Pr, Nd, Sm, Gd-Er) and RbRE2Ag3Te5 (RE = Sm, Gd-Dy).","Inorganic chemistry","2014","53","13","6893","6903","10.1021/ic5007132","","","0.71073","MoKα","","0.0272","0.0231","","","0.0495","0.0514","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340041","21.5343","0.0004","33.2157","0.0007","21.786","0.0004","90","","90.0205","0.0007","90","","15583","0.5","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C128 H112 N O61 Tb9 -","- C128 H112 N O61 Tb9 -","- C512 H448 N4 O244 Tb36 -","4","1","","Nakanishi, Takayuki; Suzuki, Yuki; Doi, Yoshihiro; Seki, Tomohiro; Koizumi, Hitoshi; Fushimi, Koji; Fujita, Koji; Hinatsu, Yukio; Ito, Hajime; Tanaka, Katsuhisa; Hasegawa, Yasuchika","Enhancement of Optical Faraday Effect of Nonanuclear Tb(III) Complexes.","Inorganic chemistry","2014","53","14","7635","7641","10.1021/ic5009363","","","0.71075","MoKα","","","0.0657","","","","0.1574","","","","","","1.035","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340042","29.0611","0.0005","20.9836","0.0004","31.5583","0.0006","90","","90","","90","","19244.5","0.6","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C176 H218 N O61 Tb9 -","- C176 H218 N O61 Tb9 -","- C704 H872 N4 O244 Tb36 -","4","0.5","","Nakanishi, Takayuki; Suzuki, Yuki; Doi, Yoshihiro; Seki, Tomohiro; Koizumi, Hitoshi; Fushimi, Koji; Fujita, Koji; Hinatsu, Yukio; Ito, Hajime; Tanaka, Katsuhisa; Hasegawa, Yasuchika","Enhancement of Optical Faraday Effect of Nonanuclear Tb(III) Complexes.","Inorganic chemistry","2014","53","14","7635","7641","10.1021/ic5009363","","","0.71075","MoKα","","","0.0693","","","","0.1609","","","","","","1.037","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340043","11.9567","0.0005","12.856","0.0005","15.8977","0.0006","87.548","0.003","74.215","0.004","83.653","0.003","2336.95","0.17","100","0.15","100","0.15","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 Eu N3 O9 -","- C54 H48 Eu N3 O9 -","- C108 H96 Eu2 N6 O18 -","2","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Su, Mingyi; Wang, Kun; Hong, Maochun","A Highly Sensitive and Selective Fluorescent Sensor for Detection of Al(3+) Using a Europium(III) Quinolinecarboxylate.","Inorganic chemistry","2014","53","13","6497","6499","10.1021/ic501010s","","","1.54178","CuKα","","0.056","0.0504","","","0.1374","0.1406","","","","","","1.109","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340044","13.9953","0.0009","15.1289","0.0009","17.5243","0.0011","111.045","0.001","101.146","0.001","102.74","0.001","3222.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H88 N4 O4 Zr -","- C62 H88 N4 O4 Zr -","- C124 H176 N8 O8 Zr2 -","2","1","","Romain, Charles; Choua, Sylvie; Collin, Jean-Paul; Heinrich, Martine; Bailly, Corinne; Karmazin-Brelot, Lydia; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel","Redox and luminescent properties of robust and air-stable N-heterocyclic carbene group 4 metal complexes.","Inorganic chemistry","2014","53","14","7371","7376","10.1021/ic500718y","","","0.71073","MoKα","","0.0876","0.0686","","","0.1881","0.2005","","","","","","1.141","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340045","14.026","0.002","15.162","0.002","17.507","0.002","110.934","0.003","101.302","0.003","102.785","0.003","3232.8","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H88 Hf N4 O4 -","- C62 H88 Hf N4 O4 -","- C124 H176 Hf2 N8 O8 -","2","1","","Romain, Charles; Choua, Sylvie; Collin, Jean-Paul; Heinrich, Martine; Bailly, Corinne; Karmazin-Brelot, Lydia; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel","Redox and luminescent properties of robust and air-stable N-heterocyclic carbene group 4 metal complexes.","Inorganic chemistry","2014","53","14","7371","7376","10.1021/ic500718y","","","0.71073","MoKα","","0.1045","0.0884","","","0.2285","0.2401","","","","","","1.074","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340046","19.5887","0.0005","22.7717","0.0016","10.1759","0.0003","90","","90","","90","","4539.1","0.4","85","2","85","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C37.5 H45 Dy0.5 N9.5 O13.5 Zn2 -","- C37.5 H42 Dy0.5 N9.25 O12.75 Zn2 -","- C150 H168 Dy2 N37 O51 Zn8 -","4","1","","Jankolovits, Joseph; Kampf, Jeff W.; Pecoraro, Vincent L.","Solvent dependent assembly of lanthanide metallacrowns using building blocks with incompatible symmetry preferences.","Inorganic chemistry","2014","53","14","7534","7546","10.1021/ic500832u","","","1.54178","CuKα","","0.0704","0.0662","","","0.1831","0.1865","","","","","","1.102","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340047","24.7224","0.0005","22.7796","0.0004","29.467","0.002","90","","110.143","0.008","90","","15579.8","1.4","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60.5 H71.25 Dy N18 O30.25 Zn8 -","- C60.5 H47 Dy N18 O30.25 Zn8 -","- C484 H376 Dy8 N144 O242 Zn64 -","8","2","","Jankolovits, Joseph; Kampf, Jeff W.; Pecoraro, Vincent L.","Solvent dependent assembly of lanthanide metallacrowns using building blocks with incompatible symmetry preferences.","Inorganic chemistry","2014","53","14","7534","7546","10.1021/ic500832u","","","1.54178","CuKα","","0.1319","0.0832","","","0.221","0.2605","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340048","20.445","0.005","21.83","0.005","22.271","0.005","93.512","0.005","102.15","0.005","113.693","0.005","8779","4","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C175.5 H167 Cl0.75 Dy2 N31.25 O30.5 Zn9 -","- C175.5 H136.5 Cl0.75 Dy2 N31.25 O33.5 Zn9 -","- C351 H273 Cl1.5 Dy4 N62.5 O67 Zn18 -","2","1","","Jankolovits, Joseph; Kampf, Jeff W.; Pecoraro, Vincent L.","Solvent dependent assembly of lanthanide metallacrowns using building blocks with incompatible symmetry preferences.","Inorganic chemistry","2014","53","14","7534","7546","10.1021/ic500832u","","","1.54178","CuKα","","0.0794","0.0718","","","0.2058","0.2148","","","","","","1.187","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340049","45.3648","0.0006","45.3648","0.0006","12.0304","0.0009","90","","90","","90","","24758.1","1.9","85","2","85","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Eu(III)[15-MC Zn(II),picHA-5](NO3)3(py)4","","- C50 H44 Eu N17 O21 Zn5 -","- C50 H40 Eu N17 O20.99 Zn5 -","- C800 H640 Eu16 N272 O335.84 Zn80 -","16","1","","Jankolovits, Joseph; Kampf, Jeff W.; Pecoraro, Vincent L.","Solvent dependent assembly of lanthanide metallacrowns using building blocks with incompatible symmetry preferences.","Inorganic chemistry","2014","53","14","7534","7546","10.1021/ic500832u","","","1.54178","CuKα","","0.0607","0.056","","","0.1608","0.1648","","","","","","1.084","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340050","4.9844","0.0002","9.4724","0.0004","9.958","0.0004","82.318","0.004","76.275","0.004","78.847","0.004","446.2","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cu7 F2 O18 Te6 -","- Cu7 F2 O18 Te6 -","- Cu7 F2 O18 Te6 -","1","0.5","","Hu, Shichao; Mace, Amber; Johnsson, Mats; Gnezdilov, Vladimir; Lemmens, Peter; Tapp, Joshua; Möller, Angela","Crystal Structure and Magnetic Properties of the S = (1)/2 Quantum Spin System Cu7(TeO3)6F2 with Mixed Dimensionality.","Inorganic chemistry","2014","53","14","7661","7667","10.1021/ic5009686","","","0.71073","MoKα","","0.0182","0.0167","","","0.04","0.0405","","","","","","1.031","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340051","10.976","0.018","16.39","0.03","19.97","0.04","90","","97.652","0.017","90","","3561","11","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl4 N2 O2 Zn -","- C33 H38 Cl4 N2 O2 Zn -","- C132 H152 Cl16 N8 O8 Zn4 -","4","0.5","","Guan, Hong-Yu; Wang, Zhen; Famulari, Antonino; Wang, Xu; Guo, Fang; Martí-Rujas, Javier","Synthesis of Chelating Complexes through Solid-State Dehydrochlorination Reactions via Second-Sphere-Coordination Interaction with Metal Chlorides: A Combined Experimental-Molecular Modeling Study.","Inorganic chemistry","2014","53","14","7438","7445","10.1021/ic5007583","","","0.71073","MoKα","","0.0791","0.063","","","0.2023","0.2189","","","","","","1.111","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4340052","9.021","0.0018","11.826","0.002","30.945","0.006","90","","91.46","0.03","90","","3300.2","1.1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H38 Cl4 Hg N2 O0.5 -","- C31.5 H36 Cl4 Hg N2 O0.5 -","- C126 H144 Cl16 Hg4 N8 O2 -","4","1","","Guan, Hong-Yu; Wang, Zhen; Famulari, Antonino; Wang, Xu; Guo, Fang; Martí-Rujas, Javier","Synthesis of Chelating Complexes through Solid-State Dehydrochlorination Reactions via Second-Sphere-Coordination Interaction with Metal Chlorides: A Combined Experimental-Molecular Modeling Study.","Inorganic chemistry","2014","53","14","7438","7445","10.1021/ic5007583","","","0.71073","MoKα","","0.0938","0.0685","","","0.1835","0.2031","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340053","13.4266","0.0017","18.462","0.002","13.5988","0.0018","90","","91.929","0.006","90","","3369","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 Cl4 Cu N2 O -","- C33 H36 Cl4 Cu N2 O -","- C132 H144 Cl16 Cu4 N8 O4 -","4","1","","Guan, Hong-Yu; Wang, Zhen; Famulari, Antonino; Wang, Xu; Guo, Fang; Martí-Rujas, Javier","Synthesis of Chelating Complexes through Solid-State Dehydrochlorination Reactions via Second-Sphere-Coordination Interaction with Metal Chlorides: A Combined Experimental-Molecular Modeling Study.","Inorganic chemistry","2014","53","14","7438","7445","10.1021/ic5007583","","","1.54178","CuKα","","0.0505","0.0453","","","0.1275","0.1325","","","","","","1.064","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340054","9.9271","0.0013","13.026","0.0017","21.326","0.003","90","","90","","90","","2757.7","0.6","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H32 Cl2 Cu N2 -","- C30 H32 Cl2 Cu N2 -","- C120 H128 Cl8 Cu4 N8 -","4","0.5","","Guan, Hong-Yu; Wang, Zhen; Famulari, Antonino; Wang, Xu; Guo, Fang; Martí-Rujas, Javier","Synthesis of Chelating Complexes through Solid-State Dehydrochlorination Reactions via Second-Sphere-Coordination Interaction with Metal Chlorides: A Combined Experimental-Molecular Modeling Study.","Inorganic chemistry","2014","53","14","7438","7445","10.1021/ic5007583","","","1.54178","CuKα","","0.1236","0.073","","","0.1927","0.2223","","","","","","0.863","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340055","9.318","0.004","15.815","0.007","21.419","0.01","92.167","0.009","92.094","0.009","90.933","0.009","3152","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H68 Cl8 Cu2 N4 O -","- C61 H68 Cl8 Cu2 N4 O0.5 -","- C122 H136 Cl16 Cu4 N8 O -","2","1","","Guan, Hong-Yu; Wang, Zhen; Famulari, Antonino; Wang, Xu; Guo, Fang; Martí-Rujas, Javier","Synthesis of Chelating Complexes through Solid-State Dehydrochlorination Reactions via Second-Sphere-Coordination Interaction with Metal Chlorides: A Combined Experimental-Molecular Modeling Study.","Inorganic chemistry","2014","53","14","7438","7445","10.1021/ic5007583","","","0.71073","MoKα","","0.2296","0.0785","","","0.1516","0.213","","","","","","0.943","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340056","19.043","0.002","5.7815","0.0007","23.61","0.002","90","","109.678","0.006","90","","2447.6","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 N2 -","- C31 H34 N2 -","- C124 H136 N8 -","4","1","","Guan, Hong-Yu; Wang, Zhen; Famulari, Antonino; Wang, Xu; Guo, Fang; Martí-Rujas, Javier","Synthesis of Chelating Complexes through Solid-State Dehydrochlorination Reactions via Second-Sphere-Coordination Interaction with Metal Chlorides: A Combined Experimental-Molecular Modeling Study.","Inorganic chemistry","2014","53","14","7438","7445","10.1021/ic5007583","","","1.54178","CuKα","","0.1213","0.0458","","","0.1324","0.188","","","","","","1.121","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340065","9.0763","0.0011","12.0289","0.0015","12.6926","0.0016","62.098","0.002","85.009","0.002","72.6","0.002","1166.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 Au3 N3 O3 -","- C21 H36 Au3 N3 O3 -","- C42 H72 Au6 N6 O6 -","2","1","","McDougald, Jr, Roy N; Chilukuri, Bhaskar; Jia, Huiping; Perez, Michael R.; Rabaâ, Hassan; Wang, Xiaoping; Nesterov, Vladimir N.; Cundari, Thomas R.; Gnade, Bruce E.; Omary, Mohammad A.","Molecular and electronic structure of cyclic trinuclear gold(i) carbeniate complexes: insights for structure/luminescence/conductivity relationships.","Inorganic chemistry","2014","53","14","7485","7499","10.1021/ic500808q","","","0.71073","MoKα","","0.0804","0.0383","","","0.0721","0.0857","","","","","","1.022","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340066","22.7074","0.0017","9.0981","0.0007","23.2784","0.0017","90","","104.347","0.001","90","","4659.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Au3 N3 O3 -","- C18 H36 Au3 N3 O3 -","- C144 H288 Au24 N24 O24 -","8","2","","McDougald, Jr, Roy N; Chilukuri, Bhaskar; Jia, Huiping; Perez, Michael R.; Rabaâ, Hassan; Wang, Xiaoping; Nesterov, Vladimir N.; Cundari, Thomas R.; Gnade, Bruce E.; Omary, Mohammad A.","Molecular and electronic structure of cyclic trinuclear gold(i) carbeniate complexes: insights for structure/luminescence/conductivity relationships.","Inorganic chemistry","2014","53","14","7485","7499","10.1021/ic500808q","","","0.71073","MoKα","","0.0424","0.0272","","","0.055","0.0605","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340067","15.198","0.006","25.289","0.01","6.872","0.003","90","","103.023","0.005","90","","2573.3","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Au3 N3 O3 -","- C18 H36 Au3 N3 O3 -","- C72 H144 Au12 N12 O12 -","4","1","","McDougald, Jr, Roy N; Chilukuri, Bhaskar; Jia, Huiping; Perez, Michael R.; Rabaâ, Hassan; Wang, Xiaoping; Nesterov, Vladimir N.; Cundari, Thomas R.; Gnade, Bruce E.; Omary, Mohammad A.","Molecular and electronic structure of cyclic trinuclear gold(i) carbeniate complexes: insights for structure/luminescence/conductivity relationships.","Inorganic chemistry","2014","53","14","7485","7499","10.1021/ic500808q","","","0.71073","MoKα","","0.1836","0.0895","","","0.2353","0.3008","","","","","","1.01","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340068","10.611","0.005","14.342","0.006","21.393","0.009","85.863","0.006","83.913","0.005","87.78","0.005","3227","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H54 Au3 N3 O3 -","- C27 H54 Au3 N3 O3 -","- C108 H216 Au12 N12 O12 -","4","2","","McDougald, Jr, Roy N; Chilukuri, Bhaskar; Jia, Huiping; Perez, Michael R.; Rabaâ, Hassan; Wang, Xiaoping; Nesterov, Vladimir N.; Cundari, Thomas R.; Gnade, Bruce E.; Omary, Mohammad A.","Molecular and electronic structure of cyclic trinuclear gold(i) carbeniate complexes: insights for structure/luminescence/conductivity relationships.","Inorganic chemistry","2014","53","14","7485","7499","10.1021/ic500808q","","","0.71073","MoKα","","0.1927","0.0591","","","0.1162","0.1587","","","","","","1.004","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340069","18.254","0.002","18.645","0.002","16.109","0.002","90","","97.618","0.003","90","","5434.2","1.1","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H38 Cl2 Co P2 -","- C26 H38 Cl2 Co P2 -","- C208 H304 Cl16 Co8 P16 -","8","2","","Barrett, Brittany J.; Iluc, Vlad M.","Coordination of a Hemilabile Pincer Ligand with an Olefinic Backbone to Mid-to-Late Transition Metals.","Inorganic chemistry","2014","53","14","7248","7259","10.1021/ic500549z","","","0.71073","MoKα","","0.137","0.0583","","","0.0652","0.0819","","","","","","0.96","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340070","15.9893","0.0019","11.1028","0.0013","16.3823","0.0019","90","","107.936","0.002","90","","2766.9","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 Br2 Fe P2 -","- C26 H38 Br2 Fe P2 -","- C104 H152 Br8 Fe4 P8 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","Coordination of a Hemilabile Pincer Ligand with an Olefinic Backbone to Mid-to-Late Transition Metals.","Inorganic chemistry","2014","53","14","7248","7259","10.1021/ic500549z","","","0.71073","MoKα","","0.0799","0.0445","","","0.0973","0.1068","","","","","","1.085","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340071","12.4634","0.0016","23.274","0.003","24.594","0.003","74.884","0.003","77.262","0.003","78.423","0.003","6639.6","1.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C129 H108 B2 Cl2 Co2 F48 P4 -","- C129 H108 B2 Cl2 Co2 F48 P4 -","- C258 H216 B4 Cl4 Co4 F96 P8 -","2","1","","Barrett, Brittany J.; Iluc, Vlad M.","Coordination of a Hemilabile Pincer Ligand with an Olefinic Backbone to Mid-to-Late Transition Metals.","Inorganic chemistry","2014","53","14","7248","7259","10.1021/ic500549z","","","0.71073","MoKα","","0.0983","0.0711","","","0.1898","0.2049","","","","","","1.102","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340072","13.1231","0.0006","13.6718","0.0007","18.707","0.0009","79.3172","0.0019","80.9439","0.0019","86.7229","0.0019","3255.7","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H58 B Br F24 Fe P2 -","- C65 H58 B Br F24 Fe P2 -","- C130 H116 B2 Br2 F48 Fe2 P4 -","2","1","","Barrett, Brittany J.; Iluc, Vlad M.","Coordination of a Hemilabile Pincer Ligand with an Olefinic Backbone to Mid-to-Late Transition Metals.","Inorganic chemistry","2014","53","14","7248","7259","10.1021/ic500549z","","","0.71073","MoKα","","0.0485","0.0407","","","0.1049","0.109","","","","","","1.077","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340073","11.011","0.002","7.764","0.0014","29.925","0.006","90","","90.224","0.004","90","","2558.3","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl Co P2 -","- C26 H38 Cl Co P2 -","- C104 H152 Cl4 Co4 P8 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","Coordination of a Hemilabile Pincer Ligand with an Olefinic Backbone to Mid-to-Late Transition Metals.","Inorganic chemistry","2014","53","14","7248","7259","10.1021/ic500549z","","","0.71073","MoKα","","0.0574","0.0474","","","0.105","0.1078","","","","","","1.14","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340074","9.9988","0.0006","15.4852","0.001","34.356","0.002","90","","90","","90","","5319.5","0.6","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cl Co O P2 -","- C27 H38 Cl Co O P2 -","- C216 H304 Cl8 Co8 O8 P16 -","8","1","","Barrett, Brittany J.; Iluc, Vlad M.","Coordination of a Hemilabile Pincer Ligand with an Olefinic Backbone to Mid-to-Late Transition Metals.","Inorganic chemistry","2014","53","14","7248","7259","10.1021/ic500549z","","","0.71073","MoKα","","0.1028","0.0824","","","0.128","0.1333","","","","","","1.256","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340075","11.8111","0.0012","15.7865","0.0016","14.7769","0.0015","90","","110.309","0.0017","90","","2584","0.5","120","2","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H38 Cl P2 Rh -","- C26 H38 Cl P2 Rh -","- C104 H152 Cl4 P8 Rh4 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","Coordination of a Hemilabile Pincer Ligand with an Olefinic Backbone to Mid-to-Late Transition Metals.","Inorganic chemistry","2014","53","14","7248","7259","10.1021/ic500549z","","","0.71073","MoKα","","0.0893","0.0627","","","0.0906","0.0958","","","","","","1.146","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340076","10.2443","0.0008","18.9199","0.0015","30.626","0.003","90","","90","","90","","5936","0.9","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cu F3 O3 P2 S -","- C27 H38 Cu F3 O3 P2 S -","- C216 H304 Cu8 F24 O24 P16 S8 -","8","1","","Barrett, Brittany J.; Iluc, Vlad M.","Coordination of a Hemilabile Pincer Ligand with an Olefinic Backbone to Mid-to-Late Transition Metals.","Inorganic chemistry","2014","53","14","7248","7259","10.1021/ic500549z","","","0.71073","MoKα","","0.0476","0.0379","","","0.091","0.0982","","","","","","1.049","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340077","9.5653","0.0004","21.5479","0.0009","14.6122","0.0006","90","","103.131","0.0016","90","","2933","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cu F6 P3 -","- C26 H38 Cu F6 P3 -","- C104 H152 Cu4 F24 P12 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","Coordination of a Hemilabile Pincer Ligand with an Olefinic Backbone to Mid-to-Late Transition Metals.","Inorganic chemistry","2014","53","14","7248","7259","10.1021/ic500549z","","","0.71073","MoKα","","0.0559","0.0411","","","0.0869","0.0924","","","","","","1.047","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340078","9.8584","0.0006","12.6977","0.0007","23.1548","0.0013","90","","90","","90","","2898.5","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 Ag F6 P3 -","- C26 H38 Ag F6 P3 -","- C104 H152 Ag4 F24 P12 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","Coordination of a Hemilabile Pincer Ligand with an Olefinic Backbone to Mid-to-Late Transition Metals.","Inorganic chemistry","2014","53","14","7248","7259","10.1021/ic500549z","","","0.71073","MoKα","","0.0313","0.0271","","","0.059","0.0611","","","","","","1.04","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340079","12.6666","0.0004","28.6554","0.0008","21.2869","0.0006","90","","95.135","0.003","90","","7695.4","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H29 Cu3 Dy2 F48 N4 O21 -","- C49 H29 Cu3 Dy2 F48 N4 O21 -","- C196 H116 Cu12 Dy8 F192 N16 O84 -","4","1","","Escobar, Lívia B L; Guedes, Guilherme P.; Soriano, Stéphane; Speziali, Nivaldo L.; K Jordão, Alessandro; Cunha, Anna Claudia; Ferreira, Vitor F.; Maxim, Catalin; Novak, Miguel A.; Andruh, Marius; Vaz, Maria G. F.","New Families of Hetero-tri-spin 2p-3d-4f Complexes: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","14","7508","7517","10.1021/ic5008044","","","0.71073","MoKα","","0.0888","0.0505","","","0.1061","0.1303","","","","","","1.046","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340080","11.4788","0.0005","16.7562","0.0007","23.5474","0.0011","102.992","0.004","98.695","0.004","93.658","0.004","4339.9","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H42 Cu Dy2 F48 N8 O20 -","- C58 H42 Cu Dy2 F48 N8 O20 -","- C116 H84 Cu2 Dy4 F96 N16 O40 -","2","1","","Escobar, Lívia B L; Guedes, Guilherme P.; Soriano, Stéphane; Speziali, Nivaldo L.; K Jordão, Alessandro; Cunha, Anna Claudia; Ferreira, Vitor F.; Maxim, Catalin; Novak, Miguel A.; Andruh, Marius; Vaz, Maria G. F.","New Families of Hetero-tri-spin 2p-3d-4f Complexes: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","14","7508","7517","10.1021/ic5008044","","","0.71073","MoKα","","0.0753","0.0493","","","0.1102","0.1241","","","","","","1.058","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340081","12.83","0.0005","25.5701","0.0012","24.6041","0.0013","90","","101.453","0.004","90","","7911","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H29 Cu3 F48 N4 O21 Tb2 -","- C49 H29 Cu3 F48 N4 O21 Tb2 -","- C196 H116 Cu12 F192 N16 O84 Tb8 -","4","1","","Escobar, Lívia B L; Guedes, Guilherme P.; Soriano, Stéphane; Speziali, Nivaldo L.; K Jordão, Alessandro; Cunha, Anna Claudia; Ferreira, Vitor F.; Maxim, Catalin; Novak, Miguel A.; Andruh, Marius; Vaz, Maria G. F.","New Families of Hetero-tri-spin 2p-3d-4f Complexes: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","14","7508","7517","10.1021/ic5008044","","","0.71073","MoKα","","0.1091","0.0799","","","0.181","0.1935","","","","","","1.106","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340082","11.494","0.0006","16.7552","0.0007","23.5889","0.0012","102.762","0.004","98.792","0.004","93.612","0.004","4356.4","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H84 Cu2 F96 Gd4 N16 O40 -","- C116 H84 Cu2 F96 Gd4 N16 O40 -","- C116 H84 Cu2 F96 Gd4 N16 O40 -","1","0.5","","Escobar, Lívia B L; Guedes, Guilherme P.; Soriano, Stéphane; Speziali, Nivaldo L.; K Jordão, Alessandro; Cunha, Anna Claudia; Ferreira, Vitor F.; Maxim, Catalin; Novak, Miguel A.; Andruh, Marius; Vaz, Maria G. F.","New Families of Hetero-tri-spin 2p-3d-4f Complexes: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","14","7508","7517","10.1021/ic5008044","","","0.71073","MoKα","","0.0879","0.0559","","","0.131","0.1586","","","","","","1.034","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340083","12.6928","0.0004","28.6403","0.0009","21.2567","0.0006","90","","95.135","0.003","90","","7696.3","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H29 Cu3 F48 Gd2 N4 O21 -","- C49 H29 Cu3 F48 Gd2 N4 O21 -","- C196 H116 Cu12 F192 Gd8 N16 O84 -","4","1","","Escobar, Lívia B L; Guedes, Guilherme P.; Soriano, Stéphane; Speziali, Nivaldo L.; K Jordão, Alessandro; Cunha, Anna Claudia; Ferreira, Vitor F.; Maxim, Catalin; Novak, Miguel A.; Andruh, Marius; Vaz, Maria G. F.","New Families of Hetero-tri-spin 2p-3d-4f Complexes: Synthesis, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","14","7508","7517","10.1021/ic5008044","","","0.71073","MoKα","","0.0942","0.0535","","","0.1176","0.1526","","","","","","1.043","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340084","7.0089","0.0005","10.5827","0.0008","7.3316","0.0005","90","","106.953","0.001","90","","520.18","0.06","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Neptunium selenite","","","- Np O6 Se2 -","- Np O6 Se2 -","- Np4 O24 Se8 -","4","1","","Diefenbach, Kariem; Lin, Jian; Cross, Justin N.; Dalal, Naresh S.; Shatruk, Michael; Albrecht-Schmitt, Thomas E","Expansion of the Rich Structures and Magnetic Properties of Neptunium Selenites: Soft Ferromagnetism in Np(SeO3)2.","Inorganic chemistry","2014","53","14","7154","7159","10.1021/ic500181t","","","0.71073","MoKα","","0.0182","0.0179","","","0.0409","0.041","","","","","","1.368","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340085","4.2501","0.0003","9.2223","0.0007","5.384","0.0004","90","","90.043","0.002","90","","211.03","0.03","296","2","296","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","Neptunium selenite","","","- Np O5 Se -","- Np O5 Se -","- Np2 O10 Se2 -","2","0.5","","Diefenbach, Kariem; Lin, Jian; Cross, Justin N.; Dalal, Naresh S.; Shatruk, Michael; Albrecht-Schmitt, Thomas E","Expansion of the Rich Structures and Magnetic Properties of Neptunium Selenites: Soft Ferromagnetism in Np(SeO3)2.","Inorganic chemistry","2014","53","14","7154","7159","10.1021/ic500181t","","","0.71073","MoKα","","0.0376","0.0373","","","0.1111","0.1114","","","","","","1.86","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340086","28.737","0.003","28.737","0.003","69.398","0.01","90","","90","","90","","57310","12","180","2","180","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C36 H30 Ag2 N8 O6 -","- C36 H30 Ag2 N8 O6 -","- C1728 H1440 Ag96 N384 O288 -","48","1.5","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.82657","synchrotron","","0.0673","0.0549","","","0.1575","0.1641","","","","","","1.049","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340087","23.407","0.003","29.545","0.004","29.171","0.004","90","","90","","90","","20173","5","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C38 H34 Ag2 N8 O6 -","- C38 H34 Ag2 N8 O6 -","- C608 H544 Ag32 N128 O96 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.82657","synchrotron","","0.0401","0.0395","","","0.108","0.1084","","","","","","1.077","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340088","23.2918","0.0006","27.1541","0.0008","31.0404","0.0012","90","","90","","90","","19632.1","1.1","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C38 H34 Ag2 N8 O6 -","- C38 H34 Ag2 N8 O6 -","- C608 H544 Ag32 N128 O96 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.056","0.0465","","","0.1164","0.1214","","","","","","0.959","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340089","23.3024","0.0005","29.3223","0.0008","29.7087","0.0009","90","","90","","90","","20299.4","0.9","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C40 H38 Ag2 N8 O6 -","- C40 H38 Ag2 N8 O6 -","- C640 H608 Ag32 N128 O96 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.0373","0.0323","","","0.0879","0.0958","","","","","","1.029","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340090","23.2149","0.0008","27.5663","0.001","30.2911","0.0013","90","","90","","90","","19384.8","1.3","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C38 H34 Ag2 N8 O8 -","- C38 H34 Ag2 N8 O8 -","- C608 H544 Ag32 N128 O128 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.0608","0.0392","","","0.0778","0.0859","","","","","","0.864","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340091","28.557","0.014","28.557","0.014","23.039","0.009","90","","90","","90","","18788","15","180","2","180","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C38 H34 Ag2 N8 O6 -","- C38 H34 Ag2 N8 O6 -","- C608 H544 Ag32 N128 O96 -","16","0.5","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.82657","synchrotron","","0.0401","0.0382","","","0.0975","0.0987","","","","","","1.119","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340092","23.1895","0.0008","29.6451","0.0016","29.5164","0.0011","90","","90","","90","","20291.2","1.5","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C40 H38 Ag2 N8 O6 -","- C40 H38 Ag2 N8 O6 -","- C640 H608 Ag32 N128 O96 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.0863","0.0642","","","0.1593","0.1691","","","","","","0.988","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340093","23.3285","0.0007","27.992","0.0013","30.8373","0.0013","90","","90","","90","","20137.1","1.4","213","2","213","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C40 H38 Ag2 N8 O6 -","- C40 H38 Ag2 N8 O6 -","- C640 H608 Ag32 N128 O96 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.0575","0.0411","","","0.0852","0.0888","","","","","","0.94","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340094","23.3987","0.0006","28.2329","0.0008","30.8115","0.0011","90","","90","","90","","20354.5","1.1","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C42 H42 Ag2 N8 O6 -","- C42 H42 Ag2 N8 O6 -","- C672 H672 Ag32 N128 O96 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.0449","0.0365","","","0.0867","0.0902","","","","","","0.912","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340095","23.2372","0.0006","28.5061","0.0012","29.7162","0.001","90","","90","","90","","19684.1","1.2","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C40 H38 Ag2 N8 O8 -","- C40 H38 Ag2 N8 O8 -","- C640 H608 Ag32 N128 O128 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.0586","0.043","","","0.1114","0.1175","","","","","","0.938","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340096","22.9914","0.0008","29.758","0.0013","28.7883","0.0014","90","","90","","90","","19696.3","1.5","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C40 H38 Ag2 N8 O8 -","- C40 H38 Ag2 N8 O8 -","- C640 H608 Ag32 N128 O128 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.0784","0.0646","","","0.1837","0.1909","","","","","","1.014","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340097","23.335","0.008","30.373","0.013","27.34","0.03","90","","90","","90","","19377","2","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C42 H42 Ag2 N8 O10 -","- C42 H42 Ag2 N8 O10 -","- C672 H672 Ag32 N128 O160 -","16","2","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.82657","synchrotron","","0.0536","0.0473","","","0.1205","0.1235","","","","","","1.072","","","","has coordinates,has disorder","179503","2020-10-21","18:00:00",""
"4340098","28.661","0.0016","28.661","0.0016","22.9776","0.0012","90","","90","","90","","18875","1.8","180","2","180","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C40 H38 Ag2 N8 O6 -","- C40 H38 Ag2 N8 O6 -","- C640 H608 Ag32 N128 O96 -","16","0.5","","Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald","Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.","Inorganic chemistry","2014","53","14","7599","7607","10.1021/ic500908r","","","0.71073","MoKα","","0.0644","0.0534","","","0.1444","0.1495","","","","","","1.131","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340099","20.552","0.0012","20.552","0.0012","23.4904","0.0013","90","","90","","120","","8592.7","0.9","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H15 N Na2 O9 -","- C15 H15 N Na2 O9 -","- C270 H270 N18 Na36 O162 -","18","1","","Chen, Jin-Xiang; Chen, Ming; Ding, Ni-Ni; Chen, Wen-Hua; Zhang, Wen-Hua; Hor, T. S. Andy; Young, David J.","Transmetalation of a Dodecahedral Na9 Aggregate-Based Polymer: A Facile Route to Water Stable Cu(II) Coordination Networks.","Inorganic chemistry","2014","53","14","7446","7454","10.1021/ic500789w","","","0.71073","MoKα","","0.0964","0.0909","","","0.2567","0.2621","","","","","","1.068","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340100","10.245","0.006","18.977","0.011","20.427","0.011","70.344","0.008","82.436","0.009","77.001","0.009","3637","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H90 Cu6 N6 O54 -","- C90 H90 Cu6 N6 O54 -","- C90 H90 Cu6 N6 O54 -","1","0.5","","Chen, Jin-Xiang; Chen, Ming; Ding, Ni-Ni; Chen, Wen-Hua; Zhang, Wen-Hua; Hor, T. S. Andy; Young, David J.","Transmetalation of a Dodecahedral Na9 Aggregate-Based Polymer: A Facile Route to Water Stable Cu(II) Coordination Networks.","Inorganic chemistry","2014","53","14","7446","7454","10.1021/ic500789w","","","0.71073","MoKα","","0.1464","0.1151","","","0.2682","0.2801","","","","","","1.147","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340101","26.3279","0.0018","6.8162","0.0005","8.1902","0.0006","90","","91.169","0.002","90","","1469.48","0.18","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu3 N2 O16 -","- C30 H24 Cu3 N2 O16 -","- C60 H48 Cu6 N4 O32 -","2","0.5","","Chen, Jin-Xiang; Chen, Ming; Ding, Ni-Ni; Chen, Wen-Hua; Zhang, Wen-Hua; Hor, T. S. Andy; Young, David J.","Transmetalation of a Dodecahedral Na9 Aggregate-Based Polymer: A Facile Route to Water Stable Cu(II) Coordination Networks.","Inorganic chemistry","2014","53","14","7446","7454","10.1021/ic500789w","","","1.54178","CuKα","","0.0742","0.0714","","","0.2063","0.2103","","","","","","1.115","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340102","6.2078","0.0003","18.0634","0.0008","13.7582","0.0006","90","","101.148","0.001","90","","1513.65","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu3 N2 O16 -","- C30 H24 Cu3 N2 O16 -","- C60 H48 Cu6 N4 O32 -","2","0.5","","Chen, Jin-Xiang; Chen, Ming; Ding, Ni-Ni; Chen, Wen-Hua; Zhang, Wen-Hua; Hor, T. S. Andy; Young, David J.","Transmetalation of a Dodecahedral Na9 Aggregate-Based Polymer: A Facile Route to Water Stable Cu(II) Coordination Networks.","Inorganic chemistry","2014","53","14","7446","7454","10.1021/ic500789w","","","0.71073","MoKα","","0.0275","0.0257","","","0.074","0.0755","","","","","","1.069","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340103","8.3427","0.0005","9.0471","0.0005","38.228","0.002","90","","90","","90","","2885.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 Cu N2 O16 -","- C30 H28 Cu N2 O16 -","- C120 H112 Cu4 N8 O64 -","4","1","","Chen, Jin-Xiang; Chen, Ming; Ding, Ni-Ni; Chen, Wen-Hua; Zhang, Wen-Hua; Hor, T. S. Andy; Young, David J.","Transmetalation of a Dodecahedral Na9 Aggregate-Based Polymer: A Facile Route to Water Stable Cu(II) Coordination Networks.","Inorganic chemistry","2014","53","14","7446","7454","10.1021/ic500789w","","","0.71073","MoKα","","0.027","0.0251","","","0.0602","0.0609","","","","","","1.054","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340104","12.29","0.003","15.936","0.004","21.465","0.005","90","","106.425","0.003","90","","4032.4","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Co2LAc](ClO4)","","","- C74 H105 Cl2 Co4 N13 O16 -","- C74 H105 Cl2 Co4 N13 O16 -","- C148 H210 Cl4 Co8 N26 O32 -","2","0.5","","Kal, Subhadeep; Filatov, Alexander S.; Dinolfo, Peter H.","Electrocatalytic proton reduction by a dicobalt tetrakis-schiff base macrocycle in nonaqueous electrolyte.","Inorganic chemistry","2014","53","14","7137","7145","10.1021/ic500121f","","","0.71073","Mo-Kα","","0.0591","0.0488","","","0.1294","0.1388","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340105","12.0199","0.0003","12.0211","0.0003","34.969","0.001","90","","90","","90","","5052.8","0.2","296","2","293","","","","","","","","","7","I 21 21 21","I 2b 2c","24","","","","- C34 H72 Au Eu0.5 N8 O12 Tb0.5 -","- C34 H72 Au Eu0.5 N8 O12 Tb0.5 -","- C136 H288 Au4 Eu2 N32 O48 Tb2 -","4","0.5","","Ahern, John C.; Roberts, Ryan J.; Follansbee, Philip; McLaughlin, Jeffrey; Leznoff, Daniel B.; Patterson, Howard H.","Structure and Emissive Properties of Heterobimetallic Ln-Au Coordination Polymers: Role of Tb and Eu in Non-aurophilic [(n)Bu4N]2[Ln(NO3)4Au(CN)2] versus Aurophilic Ln[Au(CN)2]3·3H2O/3D2O Chains.","Inorganic chemistry","2014","53","14","7571","7579","10.1021/ic500890r","","","0.71073","MoKα","","0.0273","0.0229","","0.0277","0.0208","0.0205","","","","","","1.0772","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4340106","6.6318","0.0001","6.6318","0.0001","18.2231","0.0004","90","","90","","120","","694.09","0.02","296","2","293","","","","","","","","","7","P 63/m c m","-P 6c 2","193","","","","- C6 H6 Au3 Eu0.5 N6 O3 Tb0.5 -","- C6 H6 Au3 Eu0.5 N6 O3 Tb0.5 -","- C12 H12 Au6 Eu N12 O6 Tb -","2","0.0833333","","Ahern, John C.; Roberts, Ryan J.; Follansbee, Philip; McLaughlin, Jeffrey; Leznoff, Daniel B.; Patterson, Howard H.","Structure and Emissive Properties of Heterobimetallic Ln-Au Coordination Polymers: Role of Tb and Eu in Non-aurophilic [(n)Bu4N]2[Ln(NO3)4Au(CN)2] versus Aurophilic Ln[Au(CN)2]3·3H2O/3D2O Chains.","Inorganic chemistry","2014","53","14","7571","7579","10.1021/ic500890r","","","0.71073","MoKα","","0.0453","0.0284","","0.0781","0.0348","0.0332","","","","","","0.8978","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340107","6.638","0.0001","6.638","0.0001","18.2725","0.0003","90","","90","","120","","697.273","0.019","296","2","293","","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C6 H6 Au3 Eu N6 O3 -","- C6 H6 Au3 Eu N6 O3 -","- C12 H12 Au6 Eu2 N12 O6 -","2","0.0833333","","Ahern, John C.; Roberts, Ryan J.; Follansbee, Philip; McLaughlin, Jeffrey; Leznoff, Daniel B.; Patterson, Howard H.","Structure and Emissive Properties of Heterobimetallic Ln-Au Coordination Polymers: Role of Tb and Eu in Non-aurophilic [(n)Bu4N]2[Ln(NO3)4Au(CN)2] versus Aurophilic Ln[Au(CN)2]3·3H2O/3D2O Chains.","Inorganic chemistry","2014","53","14","7571","7579","10.1021/ic500890r","","","0.71073","MoKα","","0.063","0.0394","","0.0191","0.0107","0.0103","","","","","","1.0782","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340108","6.6317","0.0009","6.6317","0.0009","18.237","0.003","90","","90","","120","","694.6","0.18","296","2","293","","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C6 H6 Au3 Gd N6 O3 -","- C6 H6 Au3 Gd N6 O3 -","- C12 H12 Au6 Gd2 N12 O6 -","2","0.0833333","","Ahern, John C.; Roberts, Ryan J.; Follansbee, Philip; McLaughlin, Jeffrey; Leznoff, Daniel B.; Patterson, Howard H.","Structure and Emissive Properties of Heterobimetallic Ln-Au Coordination Polymers: Role of Tb and Eu in Non-aurophilic [(n)Bu4N]2[Ln(NO3)4Au(CN)2] versus Aurophilic Ln[Au(CN)2]3·3H2O/3D2O Chains.","Inorganic chemistry","2014","53","14","7571","7579","10.1021/ic500890r","","","0.71073","MoKα","","0.0365","0.0149","","0.029","0.0115","0.0112","","","","","","1.0456","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340109","7.0282","0.0003","7.0282","0.0003","12.9377","0.0006","90","","90","","120","","553.45","0.04","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Sodium Uranium(III) sulfate","","","- H2 Na O9 S2 U -","- H2 Na O9 S2 U -","- H6 Na3 O27 S6 U3 -","3","0.5","","Cross, Justin N.; Villa, Eric M.; Darling, Victoria R.; Polinski, Matthew J.; Lin, Jian; Tan, Xiaoyan; Kikugawa, Naoki; Shatruk, Michael; Baumbach, Ryan; Albrecht-Schmitt, Thomas E","Straightforward Reductive Routes to Air-Stable Uranium(III) and Neptunium(III) Materials.","Inorganic chemistry","2014","53","14","7455","7466","10.1021/ic500771t","","","0.71073","MoKα","","0.014","0.0138","","","0.0326","0.0326","","","","","","1.1","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340110","17.74","0.0014","7.0516","0.0006","19.4646","0.0016","90","","112.3","0.001","90","","2252.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Potassium Uranium (III,IV) sulfate","","","- K5 O25 S6 U2 -","- K5 O25 S6 U2 -","- K20 O100 S24 U8 -","4","0.5","","Cross, Justin N.; Villa, Eric M.; Darling, Victoria R.; Polinski, Matthew J.; Lin, Jian; Tan, Xiaoyan; Kikugawa, Naoki; Shatruk, Michael; Baumbach, Ryan; Albrecht-Schmitt, Thomas E","Straightforward Reductive Routes to Air-Stable Uranium(III) and Neptunium(III) Materials.","Inorganic chemistry","2014","53","14","7455","7466","10.1021/ic500771t","","","0.71073","MoKα","","0.0332","0.0256","","","0.0552","0.0582","","","","","","1.024","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340112","5.377","0.004","5.377","0.004","13.987","0.01","90","","90","","120","","350.2","0.4","296","2","296","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","Rubidium Uranium(III) sulfate","","","- O8 Rb S2 U -","- O8 Rb S2 U -","- O16 Rb2 S4 U2 -","2","0.0833333","","Cross, Justin N.; Villa, Eric M.; Darling, Victoria R.; Polinski, Matthew J.; Lin, Jian; Tan, Xiaoyan; Kikugawa, Naoki; Shatruk, Michael; Baumbach, Ryan; Albrecht-Schmitt, Thomas E","Straightforward Reductive Routes to Air-Stable Uranium(III) and Neptunium(III) Materials.","Inorganic chemistry","2014","53","14","7455","7466","10.1021/ic500771t","","","0.71073","MoKα","","0.0536","0.0498","","","0.0925","0.0932","","","","","","1.54","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340113","7.0147","0.0006","7.0147","0.0006","12.9094","0.0011","90","","90","","120","","550.12","0.08","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Sodium Neptunium(III) sulfate","","","- H0 Na Np O9 S2 -","- Na Np O9 S2 -","- Na3 Np3 O27 S6 -","3","0.5","","Cross, Justin N.; Villa, Eric M.; Darling, Victoria R.; Polinski, Matthew J.; Lin, Jian; Tan, Xiaoyan; Kikugawa, Naoki; Shatruk, Michael; Baumbach, Ryan; Albrecht-Schmitt, Thomas E","Straightforward Reductive Routes to Air-Stable Uranium(III) and Neptunium(III) Materials.","Inorganic chemistry","2014","53","14","7455","7466","10.1021/ic500771t","","","0.71073","MoKα","","0.0194","0.0194","","","0.0528","0.0528","","","","","","1.264","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340114","5.4116","0.0016","6.949","0.002","8.378","0.003","86.445","0.003","88.413","0.003","88.552","0.003","314.24","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Potassium Neptunium(III) sulfate","","","- K Np O8 S2 -","- K Np O8 S2 -","- K2 Np2 O16 S4 -","2","1","","Cross, Justin N.; Villa, Eric M.; Darling, Victoria R.; Polinski, Matthew J.; Lin, Jian; Tan, Xiaoyan; Kikugawa, Naoki; Shatruk, Michael; Baumbach, Ryan; Albrecht-Schmitt, Thomas E","Straightforward Reductive Routes to Air-Stable Uranium(III) and Neptunium(III) Materials.","Inorganic chemistry","2014","53","14","7455","7466","10.1021/ic500771t","","","0.71073","MoKα","","0.0404","0.0325","","","0.0813","0.0851","","","","","","0.605","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340115","7.1963","0.0014","7.1963","0.0014","13.386","0.004","90","","90","","120","","600.3","0.2","296","2","296","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Potassium Neptunium(III) sulfate hydrate","","","- K Np O9 S2 -","- K1.042 Np0.958 O9 S2 -","- K3.126 Np2.874 O27 S6 -","3","0.5","","Cross, Justin N.; Villa, Eric M.; Darling, Victoria R.; Polinski, Matthew J.; Lin, Jian; Tan, Xiaoyan; Kikugawa, Naoki; Shatruk, Michael; Baumbach, Ryan; Albrecht-Schmitt, Thomas E","Straightforward Reductive Routes to Air-Stable Uranium(III) and Neptunium(III) Materials.","Inorganic chemistry","2014","53","14","7455","7466","10.1021/ic500771t","","","0.71073","MoKα","","0.0499","0.0312","","","0.0715","0.0793","","","","","","1.108","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340116","9.127","0.004","5.4143","0.0019","14.198","0.005","90","","102.715","0.005","90","","684.4","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Rubidium Neptunium(III) sulfate","","","- Np O8 Rb S2 -","- Np O8 Rb S2 -","- Np4 O32 Rb4 S8 -","4","1","","Cross, Justin N.; Villa, Eric M.; Darling, Victoria R.; Polinski, Matthew J.; Lin, Jian; Tan, Xiaoyan; Kikugawa, Naoki; Shatruk, Michael; Baumbach, Ryan; Albrecht-Schmitt, Thomas E","Straightforward Reductive Routes to Air-Stable Uranium(III) and Neptunium(III) Materials.","Inorganic chemistry","2014","53","14","7455","7466","10.1021/ic500771t","","","0.71073","MoKα","","0.0305","0.0253","","","0.0574","0.0606","","","","","","1.079","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340117","5.448","0.0011","14.333","0.003","9.4","0.0018","90","","90.344","0.002","90","","734","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cesium Neptunium(III) sulfate","","","- Cs Np O8 S2 -","- Cs Np O8 S2 -","- Cs4 Np4 O32 S8 -","4","1","","Cross, Justin N.; Villa, Eric M.; Darling, Victoria R.; Polinski, Matthew J.; Lin, Jian; Tan, Xiaoyan; Kikugawa, Naoki; Shatruk, Michael; Baumbach, Ryan; Albrecht-Schmitt, Thomas E","Straightforward Reductive Routes to Air-Stable Uranium(III) and Neptunium(III) Materials.","Inorganic chemistry","2014","53","14","7455","7466","10.1021/ic500771t","","","0.71073","MoKα","","0.0298","0.0278","","","0.0738","0.075","","","","","","1.1","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340118","8.9011","0.0015","12.595","0.002","38.632","0.007","90","","90.336","0.003","90","","4330.9","1.3","123","2","123","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","trans_Ru_trpy_Pqn_MeCN_PF6","","- C39 H32 Cl2 F12 N5 P3 Ru -","- C39 H32 Cl2 F12 N5 P3 Ru -","- C156 H128 Cl8 F48 N20 P12 Ru4 -","4","1","","Nakamura, Go; Okamura, Masaya; Yoshida, Masaki; Suzuki, Takayoshi; Takagi, Hideo D.; Kondo, Mio; Masaoka, Shigeyuki","Electrochemical Behavior of Phosphine-Substituted Ruthenium(II) Polypyridine Complexes with a Single Labile Ligand.","Inorganic chemistry","2014","53","14","7214","7226","10.1021/ic5003644","","x-ray","0.710747","MoKα","","0.0692","0.062","","","0.1595","0.1643","","","","","","1.139","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340119","8.641","0.003","13.06","0.004","20.571","0.006","92.619","0.002","98.711","0.005","102.589","0.006","2232.1","1.2","123","2","123","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","cis_Ru_trpy_Pqn_MeCN_PF6","","- C39 H31 Cl3 F12 N5 P3 Ru -","- C39 H31 Cl3 F12 N5 P3 Ru -","- C78 H62 Cl6 F24 N10 P6 Ru2 -","2","1","","Nakamura, Go; Okamura, Masaya; Yoshida, Masaki; Suzuki, Takayoshi; Takagi, Hideo D.; Kondo, Mio; Masaoka, Shigeyuki","Electrochemical Behavior of Phosphine-Substituted Ruthenium(II) Polypyridine Complexes with a Single Labile Ligand.","Inorganic chemistry","2014","53","14","7214","7226","10.1021/ic5003644","","x-ray","0.710747","MoKα","","0.0339","0.032","","","0.0967","0.098","","","","","","1.078","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340120","8.8914","0.0011","12.727","0.0016","38.449","0.005","90","","91.64","0.003","90","","4349.1","1","123","2","123","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","trans_Ru_trpy_Pqn_DMF_PF6","","- C40 H36 Cl2 F12 N5 O P3 Ru -","- C40 H36 Cl2 F12 N5 O P3 Ru -","- C160 H144 Cl8 F48 N20 O4 P12 Ru4 -","4","1","","Nakamura, Go; Okamura, Masaya; Yoshida, Masaki; Suzuki, Takayoshi; Takagi, Hideo D.; Kondo, Mio; Masaoka, Shigeyuki","Electrochemical Behavior of Phosphine-Substituted Ruthenium(II) Polypyridine Complexes with a Single Labile Ligand.","Inorganic chemistry","2014","53","14","7214","7226","10.1021/ic5003644","","x-ray","0.710747","MoKα","","0.0524","0.0451","","","0.109","0.1137","","","","","","1.047","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340121","14.882","0.002","11.7261","0.0016","15.094","0.002","90","","108.89","0.003","90","","2492.2","0.6","123","2","123","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","trpy_MeCN2_Cl_PF6","","- C21 H20 Cl F6 N6 P Ru -","- C21 H20 Cl F6 N6 P Ru -","- C84 H80 Cl4 F24 N24 P4 Ru4 -","4","1","","Nakamura, Go; Okamura, Masaya; Yoshida, Masaki; Suzuki, Takayoshi; Takagi, Hideo D.; Kondo, Mio; Masaoka, Shigeyuki","Electrochemical Behavior of Phosphine-Substituted Ruthenium(II) Polypyridine Complexes with a Single Labile Ligand.","Inorganic chemistry","2014","53","14","7214","7226","10.1021/ic5003644","","x-ray","0.710747","MoKα","","0.0343","0.0308","","","0.072","0.0747","","","","","","1.065","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340122","8.963","0.002","12.895","0.004","19.927","0.006","102.043","0.004","90.214","0.004","90.759","0.004","2252.2","1.1","123","2","123","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","trans_Ru_trpy_Pqn_H2O_PF6","","- C42 H41 F12 N4 O3 P3 Ru -","- C42 H39 F12 N4 O3 P3 Ru -","- C84 H78 F24 N8 O6 P6 Ru2 -","2","1","","Nakamura, Go; Okamura, Masaya; Yoshida, Masaki; Suzuki, Takayoshi; Takagi, Hideo D.; Kondo, Mio; Masaoka, Shigeyuki","Electrochemical Behavior of Phosphine-Substituted Ruthenium(II) Polypyridine Complexes with a Single Labile Ligand.","Inorganic chemistry","2014","53","14","7214","7226","10.1021/ic5003644","","x-ray","0.710747","MoKα","","0.0492","0.0435","","","0.1197","0.1251","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340123","13.2623","0.0011","22.7489","0.0019","32.187","0.003","90","","90","","90","","9710.9","1.5","123","2","123","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","Ru_trpy_dppbz_MeCN_PF6","","- C48 H40 Cl2 F12 N4 P4 Ru -","- C48 H40 Cl2 F12 N4 P4 Ru -","- C384 H320 Cl16 F96 N32 P32 Ru8 -","8","1","","Nakamura, Go; Okamura, Masaya; Yoshida, Masaki; Suzuki, Takayoshi; Takagi, Hideo D.; Kondo, Mio; Masaoka, Shigeyuki","Electrochemical Behavior of Phosphine-Substituted Ruthenium(II) Polypyridine Complexes with a Single Labile Ligand.","Inorganic chemistry","2014","53","14","7214","7226","10.1021/ic5003644","","","0.71073","MoKα","","0.0701","0.0554","","","0.1371","0.1491","","","","","","1.086","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340124","8.9568","0.0017","18.69","0.003","31.427","0.004","69.1","0.005","80.584","0.008","86.525","0.008","4848.6","1.4","123","2","123","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","cis_Ru_trpy_Pqn_Cl_BPh4","","- C61 H48.5 B Cl N4.5 P Ru -","- C61 H48.5 B Cl N4.5 P Ru -","- C244 H194 B4 Cl4 N18 P4 Ru4 -","4","2","","Nakamura, Go; Okamura, Masaya; Yoshida, Masaki; Suzuki, Takayoshi; Takagi, Hideo D.; Kondo, Mio; Masaoka, Shigeyuki","Electrochemical Behavior of Phosphine-Substituted Ruthenium(II) Polypyridine Complexes with a Single Labile Ligand.","Inorganic chemistry","2014","53","14","7214","7226","10.1021/ic5003644","","x-ray","0.710747","MoKα","","0.0703","0.055","","","0.1332","0.1473","","","","","","1.035","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340125","11.069","0.002","14.409","0.003","13.018","0.003","90","","103.4","0.03","90","","2019.8","0.8","200","2","200.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 Cl N6 -","- C19 H25 Cl N6 -","- C76 H100 Cl4 N24 -","4","1","","Kratsch, Jochen; Beele, Björn B; Koke, Carsten; Denecke, Melissa A.; Geist, Andreas; Panak, Petra J.; Roesky, Peter W.","6-(Tetrazol-5-yl)-2,2'-bipyridine: A Highly Selective Ligand for the Separation of Lanthanides(III) and Actinides(III).","Inorganic chemistry","2014","53","17","8949","8958","10.1021/ic5007549","","","0.71073","MoKα","","0.1368","0.0426","","","0.0532","0.0656","","","","","","0.731","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340126","11.052","","11.334","","12.725","","90","","106.18","","90","","1530.84","","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H26 N12 O6.5 Sm -","- C22 H14 N12 O6.5 Sm -","- C44 H28 N24 O13 Sm2 -","2","0.5","","Kratsch, Jochen; Beele, Björn B; Koke, Carsten; Denecke, Melissa A.; Geist, Andreas; Panak, Petra J.; Roesky, Peter W.","6-(Tetrazol-5-yl)-2,2'-bipyridine: A Highly Selective Ligand for the Separation of Lanthanides(III) and Actinides(III).","Inorganic chemistry","2014","53","17","8949","8958","10.1021/ic5007549","","","0.71073","MoKα","","0.1303","0.087","","","0.209","0.2364","","","","","","0.962","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340127","11.681","0.002","12.438","0.003","12.515","0.003","73.41","0.03","84.43","0.03","69.86","0.03","1636","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 N14 O6 Sm -","- C29 H33 N14 O6 Sm -","- C58 H66 N28 O12 Sm2 -","2","1","","Kratsch, Jochen; Beele, Björn B; Koke, Carsten; Denecke, Melissa A.; Geist, Andreas; Panak, Petra J.; Roesky, Peter W.","6-(Tetrazol-5-yl)-2,2'-bipyridine: A Highly Selective Ligand for the Separation of Lanthanides(III) and Actinides(III).","Inorganic chemistry","2014","53","17","8949","8958","10.1021/ic5007549","","","0.71073","MoKα","","0.0233","0.0209","","","0.0524","0.0532","","","","","","1.017","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340128","7.7661","0.0008","9.6245","0.001","9.9385","0.001","107.229","0.001","110.794","0.001","98.068","0.001","637.74","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Bi Cl3 N4 -","- C8 H8 Bi Cl3 N4 -","- C16 H16 Bi2 Cl6 N8 -","2","1","","Heine, Johanna; Wehner, Tobias; Bertermann, Rüdiger; Steffen, Andreas; Müller-Buschbaum, Klaus","(2)∞[Bi2Cl6(pyz)4]: A 2D-Pyrazine Coordination Polymer As Soft Host Lattice for the Luminescence of the Lanthanide Ions Sm(3+), Eu(3+), Tb(3+), and Dy(3+).","Inorganic chemistry","2014","53","14","7197","7203","10.1021/ic500295r","","x-ray","0.71073","MoKα","K-L~3~","0.0453","0.0419","","","0.1096","0.1153","","","","","","1.141","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340129","13.3447","0.0009","19.6649","0.0012","17.7267","0.0011","90","","108.483","0.001","90","","4411.9","0.5","296","2","296","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C38 H49 Ag Cl2 N6 O6 P2 Pt S -","- C38 H49 Ag Cl2 N6 O6 P2 Pt S -","- C152 H196 Ag4 Cl8 N24 O24 P8 Pt4 S4 -","4","1","","Dai, Zhi; Metta-Magaña, Alejandro J; Nuñez, Jose E","Synthesis and Characterization of Electron Donor-Acceptor Platinum(II) Complexes Composed of N,N-Diphenylpyridineamine and Triphenylamine Ligands.","Inorganic chemistry","2014","53","14","7188","7196","10.1021/ic500290m","","","0.71073","MoKα","","0.0784","0.0463","","","0.1198","0.1472","","","","","","0.92","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340130","11.87","0.013","34.25","0.04","10.808","0.012","90","","108.919","0.016","90","","4157","8","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 Ag N6 O6 P2 Pt S -","- C37 H47 Ag N6 O6 P2 Pt S -","- C148 H188 Ag4 N24 O24 P8 Pt4 S4 -","4","1","","Dai, Zhi; Metta-Magaña, Alejandro J; Nuñez, Jose E","Synthesis and Characterization of Electron Donor-Acceptor Platinum(II) Complexes Composed of N,N-Diphenylpyridineamine and Triphenylamine Ligands.","Inorganic chemistry","2014","53","14","7188","7196","10.1021/ic500290m","","","0.71073","MoKα","","0.0476","0.04","","","0.1053","0.1118","","","","","","1.075","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340131","29.177","0.005","10.248","0.005","11.658","0.005","90","0.005","90","0.005","90","0.005","3486","2","100","2","100","2","","","","","","","","5","P m a 2","P 2 -2a","28","","","","- C19.5 H12.5 N3 O4 Zn -","- C19.5 H12.5 N3 O4 Zn -","- C78 H50 N12 O16 Zn4 -","4","1","","Sen, Susan; Neogi, Subhadip; Aijaz, Arshad; Xu, Qiang; Bharadwaj, Parimal K.","Construction of non-interpenetrated charged metal-organic frameworks with doubly pillared layers: pore modification and selective gas adsorption.","Inorganic chemistry","2014","53","14","7591","7598","10.1021/ic500900n","","","0.71069","MoKα","","0.1025","0.0835","","","0.2219","0.2315","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340132","13.591","0.005","29.082","0.005","19.884","0.005","90","0.005","96.667","0.005","90","0.005","7806","4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C43 H29 N6 O8 Zn2 -","- C43 H29 N6 O8 Zn2 -","- C172 H116 N24 O32 Zn8 -","4","1","","Sen, Susan; Neogi, Subhadip; Aijaz, Arshad; Xu, Qiang; Bharadwaj, Parimal K.","Construction of non-interpenetrated charged metal-organic frameworks with doubly pillared layers: pore modification and selective gas adsorption.","Inorganic chemistry","2014","53","14","7591","7598","10.1021/ic500900n","","","0.71069","MoKα","","0.0749","0.0489","","","0.1124","0.1183","","","","","","0.888","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340133","18.3859","0.0011","28.9574","0.0018","18.3999","0.0012","90","","114.54","0.001","90","","8911.4","1","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C51 H33 N6 O8 Zn2 -","- C51 H33 N6 O8 Zn2 -","- C204 H132 N24 O32 Zn8 -","4","1","","Sen, Susan; Neogi, Subhadip; Aijaz, Arshad; Xu, Qiang; Bharadwaj, Parimal K.","Construction of non-interpenetrated charged metal-organic frameworks with doubly pillared layers: pore modification and selective gas adsorption.","Inorganic chemistry","2014","53","14","7591","7598","10.1021/ic500900n","","","0.71073","MoKα","","0.1056","0.0665","","","0.1938","0.2089","","","","","","1.07","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340134","14.043","0.0002","15.656","0.0002","19.574","0.0003","90","","90.194","0.001","90","","4303.46","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Br2 N4 Ni2 O2 -","- C44 H56 Br2 N4 Ni2 O2 -","- C176 H224 Br8 N16 Ni8 O8 -","4","1","","Poulten, Rebecca C.; López, Isidoro; Llobet, Antoni; Mahon, Mary F.; Whittlesey, Michael K.","Stereoelectronic effects in C-h bond oxidation reactions of ni(i) N-heterocyclic carbene complexes.","Inorganic chemistry","2014","53","14","7160","7169","10.1021/ic500213h","","","0.71073","MoKα","","0.0725","0.0431","","","0.0848","0.0971","","","","","","1.1","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340135","12.673","0.0002","12.847","0.0003","16.081","0.0003","101.027","0.001","110.711","0.001","104.94","0.001","2247.65","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H60 Br2 N4 Ni2 O2 -","- C46 H60 Br2 N4 Ni2 O2 -","- C92 H120 Br4 N8 Ni4 O4 -","2","1","","Poulten, Rebecca C.; López, Isidoro; Llobet, Antoni; Mahon, Mary F.; Whittlesey, Michael K.","Stereoelectronic effects in C-h bond oxidation reactions of ni(i) N-heterocyclic carbene complexes.","Inorganic chemistry","2014","53","14","7160","7169","10.1021/ic500213h","","","0.71073","MoKα","","0.0809","0.0508","","","0.1226","0.1369","","","","","","1.07","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340136","12.853","0.0002","13.407","0.0002","14.842","0.0003","107.486","0.001","99.498","0.001","114.349","0.001","2095.99","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H54 Br0.4 Cl1.6 N4 Ni2 O2 -","- C44 H54 Br0.4 Cl1.6 N4 Ni2 O2 -","- C88 H108 Br0.8 Cl3.2 N8 Ni4 O4 -","2","1","","Poulten, Rebecca C.; López, Isidoro; Llobet, Antoni; Mahon, Mary F.; Whittlesey, Michael K.","Stereoelectronic effects in C-h bond oxidation reactions of ni(i) N-heterocyclic carbene complexes.","Inorganic chemistry","2014","53","14","7160","7169","10.1021/ic500213h","","","0.71073","MoKα","","0.0542","0.037","","","0.0858","0.0935","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340137","11.353","0.0001","17.999","0.0002","18.391","0.0002","90","","100.635","0.001","90","","3693.51","0.07","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H43 Br N2 Ni O2 P -","- C42 H43 Br N2 Ni O2 P -","- C168 H172 Br4 N8 Ni4 O8 P4 -","4","1","","Poulten, Rebecca C.; López, Isidoro; Llobet, Antoni; Mahon, Mary F.; Whittlesey, Michael K.","Stereoelectronic effects in C-h bond oxidation reactions of ni(i) N-heterocyclic carbene complexes.","Inorganic chemistry","2014","53","14","7160","7169","10.1021/ic500213h","","","0.71073","MoKα","","0.0404","0.0309","","","0.0771","0.0829","","","","","","1.047","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340138","9.98","0.0002","10.003","0.0002","10.456","0.0002","65.486","0.001","63.506","0.001","89.169","0.001","831.13","0.03","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H30 Br2 Ni O2 P2 -","- C36 H30 Br2 Ni O2 P2 -","- C36 H30 Br2 Ni O2 P2 -","1","1","","Poulten, Rebecca C.; López, Isidoro; Llobet, Antoni; Mahon, Mary F.; Whittlesey, Michael K.","Stereoelectronic effects in C-h bond oxidation reactions of ni(i) N-heterocyclic carbene complexes.","Inorganic chemistry","2014","53","14","7160","7169","10.1021/ic500213h","","","0.71073","MoKα","","0.0315","0.0278","","","0.0622","0.0645","","","","","","1.063","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340139","11.9397","0.0019","16.338","0.003","16.984","0.003","61.608","0.002","79.219","0.002","79.606","0.002","2847","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H39 Cl3 P2 Pt -","- C26 H39 Cl3 P2 Pt -","- C104 H156 Cl12 P8 Pt4 -","4","2","","Perera, Tharushi A.; Masjedi, Mehdi; Sharp, Paul R.","Photoreduction of Pt(IV) Chloro Complexes: Substrate Chlorination by a Triplet Excited State.","Inorganic chemistry","2014","53","14","7608","7621","10.1021/ic5009413","","","0.71073","MoKα","","0.0546","0.036","","","0.0771","0.0843","","","","","","1.023","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340140","13.788","0.003","14.287","0.003","15.895","0.003","90","","92.34","0.002","90","","3128.5","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 Cl3 P2 Pt -","- C32 H41 Cl3 P2 Pt -","- C128 H164 Cl12 P8 Pt4 -","4","1","","Perera, Tharushi A.; Masjedi, Mehdi; Sharp, Paul R.","Photoreduction of Pt(IV) Chloro Complexes: Substrate Chlorination by a Triplet Excited State.","Inorganic chemistry","2014","53","14","7608","7621","10.1021/ic5009413","","","0.71073","MoKα","","0.0212","0.018","","","0.0425","0.0438","","","","","","1.04","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340141","11.704","0.0006","16.6782","0.0008","13.9841","0.0006","90","","90.483","0.003","90","","2729.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 Cl2 P2 Pt -","- C26 H38 Cl2 P2 Pt -","- C104 H152 Cl8 P8 Pt4 -","4","1","","Perera, Tharushi A.; Masjedi, Mehdi; Sharp, Paul R.","Photoreduction of Pt(IV) Chloro Complexes: Substrate Chlorination by a Triplet Excited State.","Inorganic chemistry","2014","53","14","7608","7621","10.1021/ic5009413","","","0.71073","MoKα","","0.0613","0.0425","","","0.1093","0.118","","","","","","1.044","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340144","9.2911","0.0015","15.736","0.002","10.4345","0.0017","90","","96.099","0.013","90","","1516.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Ga4 O8 -","- C24 H32 Ga4 O8 -","- C48 H64 Ga8 O16 -","2","0.5","","Justyniak, Iwona; Bury, Wojciech; Prochowicz, Daniel; Wójcik, Katarzyna; Zachara, Janusz; Lewiński, Janusz","Toward coordination polymers based on fine-tunable group 13 organometallic phthalates.","Inorganic chemistry","2014","53","14","7270","7275","10.1021/ic5005598","","","0.71073","MoKα","","0.0323","0.0254","","","0.0652","0.0677","","","","","","1.015","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340145","10.116","0.0002","16.079","0.0004","13.55","0.0004","90","","98.3","0.002","90","","2180.89","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H56 In4 O11 -","- C36 H56 In4 O11 -","- C72 H112 In8 O22 -","2","1","","Justyniak, Iwona; Bury, Wojciech; Prochowicz, Daniel; Wójcik, Katarzyna; Zachara, Janusz; Lewiński, Janusz","Toward coordination polymers based on fine-tunable group 13 organometallic phthalates.","Inorganic chemistry","2014","53","14","7270","7275","10.1021/ic5005598","","","0.71073","MoKα","","0.0364","0.0292","","","0.0612","0.0627","","","","","","1.003","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340146","10.756","0.004","10.542","0.004","18.338","0.006","90","","97.22","0.03","90","","2062.9","1.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Al2 N O4 -","- C18 H23 Al2 N O4 -","- C72 H92 Al8 N4 O16 -","4","1","","Justyniak, Iwona; Bury, Wojciech; Prochowicz, Daniel; Wójcik, Katarzyna; Zachara, Janusz; Lewiński, Janusz","Toward coordination polymers based on fine-tunable group 13 organometallic phthalates.","Inorganic chemistry","2014","53","14","7270","7275","10.1021/ic5005598","","","0.71073","MoKα","","0.1239","0.0665","","","0.1639","0.1948","","","","","","1.027","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340295","27.78","0.006","6.6928","0.0013","17.125","0.003","90","","92.9","0.03","90","","3179.9","1.1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N3 O28 Tb3 -","- C25 H22 N3 O28 Tb3 -","- C100 H88 N12 O112 Tb12 -","4","1","","Yang, Ai-Hong; Zou, Ji-Yong; Wang, Wen-Min; Shi, Xue-Ying; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Two Three-Dimensional Lanthanide Frameworks Exhibiting Luminescence Increases upon Dehydration and Novel Water Layer Involving in Situ Decarboxylation.","Inorganic chemistry","2014","53","14","7092","7100","10.1021/ic402803s","","","0.71073","MoKα","","0.0494","0.042","","","0.0969","0.101","","","","","","1.061","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340296","8.6697","0.0017","10.155","0.002","13.455","0.003","85.39","0.03","89","0.03","77.26","0.03","1151.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H25 N O24 Yb2 -","- C11 H21 N O24 Yb2 -","- C22 H42 N2 O48 Yb4 -","2","1","","Yang, Ai-Hong; Zou, Ji-Yong; Wang, Wen-Min; Shi, Xue-Ying; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Two Three-Dimensional Lanthanide Frameworks Exhibiting Luminescence Increases upon Dehydration and Novel Water Layer Involving in Situ Decarboxylation.","Inorganic chemistry","2014","53","14","7092","7100","10.1021/ic402803s","","","0.71073","MoKα","","0.0475","0.0376","","","0.0699","0.0747","","","","","","1.094","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340297","7.515","0.003","11.663","0.002","13.263","0.001","94.757","0.002","105.971","0.003","101.192","0.004","1084.8","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N4 O2 S2 -","- C24 H18 N4 O2 S2 -","- C48 H36 N8 O4 S4 -","2","1","","Lumb, Isha; Hundal, Maninder Singh; Hundal, Geeta","Copper(II)-Catalyzed Disulfide Scission-Stepwise Aerobic Oxidative Cleavage to Sulfinate and Sulfonate and Reductive Anaerobic Cleavage to Thiols.","Inorganic chemistry","2014","53","14","7770","7779","10.1021/ic501141m","","","0.71073","MoKα","","0.0692","0.0408","","","0.1001","0.1147","","","","","","1.016","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340298","7.988","0.0002","8.8448","0.0002","10.8541","0.0003","96.4","0.001","110.313","0.002","111.841","0.001","641.54","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cu N4 O10 S2 -","- C24 H22 Cu N4 O10 S2 -","- C24 H22 Cu N4 O10 S2 -","1","0.5","","Lumb, Isha; Hundal, Maninder Singh; Hundal, Geeta","Copper(II)-Catalyzed Disulfide Scission-Stepwise Aerobic Oxidative Cleavage to Sulfinate and Sulfonate and Reductive Anaerobic Cleavage to Thiols.","Inorganic chemistry","2014","53","14","7770","7779","10.1021/ic501141m","","","0.71073","MoKα","","0.059","0.0342","","","0.108","0.1304","","","","","","0.82","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340299","8.797","0.002","10.982","0.002","12.68","0.003","88.846","0.007","78.982","0.008","69.453","0.005","1124.5","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H15 Cl Cu2 N4 O2 S2 -","- C24 H15 Cl Cu2 N4 O2 S2 -","- C48 H30 Cl2 Cu4 N8 O4 S4 -","2","1","","Lumb, Isha; Hundal, Maninder Singh; Hundal, Geeta","Copper(II)-Catalyzed Disulfide Scission-Stepwise Aerobic Oxidative Cleavage to Sulfinate and Sulfonate and Reductive Anaerobic Cleavage to Thiols.","Inorganic chemistry","2014","53","14","7770","7779","10.1021/ic501141m","","","0.71073","MoKα","","0.0619","0.0393","","","0.1029","0.1146","","","","","","0.834","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340300","7.281","0.0003","12.175","0.0004","12.5958","0.0004","84.691","0.002","81.726","0.001","84.938","0.002","1097.02","0.07","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N4 O6 S2 -","- C24 H18 N4 O6 S2 -","- C48 H36 N8 O12 S4 -","2","1","","Lumb, Isha; Hundal, Maninder Singh; Hundal, Geeta","Copper(II)-Catalyzed Disulfide Scission-Stepwise Aerobic Oxidative Cleavage to Sulfinate and Sulfonate and Reductive Anaerobic Cleavage to Thiols.","Inorganic chemistry","2014","53","14","7770","7779","10.1021/ic501141m","","","0.71073","MoKα","","0.1057","0.0923","","","0.2586","0.2706","","","","","","1.105","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340301","8.139","0.003","11.214","0.003","14.263","0.005","90","","94.383","0.017","90","","1298","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cu N4 O10 S2 -","- C24 H22 Cu N4 O10 S2 -","- C48 H44 Cu2 N8 O20 S4 -","2","0.5","","Lumb, Isha; Hundal, Maninder Singh; Hundal, Geeta","Copper(II)-Catalyzed Disulfide Scission-Stepwise Aerobic Oxidative Cleavage to Sulfinate and Sulfonate and Reductive Anaerobic Cleavage to Thiols.","Inorganic chemistry","2014","53","14","7770","7779","10.1021/ic501141m","","","0.71073","MoKα","","0.0746","0.048","","","0.1274","0.1433","","","","","","1.043","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340302","10.3755","0.001","11.1693","0.001","15.1289","0.0012","90","","119.098","0.005","90","","1532","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl2 Fe N8 O12 -","- C24 H18 Cl2 Fe N8 O12 -","- C48 H36 Cl4 Fe2 N16 O24 -","2","0.5","","Goswami, Soumyabrata; Jena, Himanshu Sekhar; Konar, Sanjit","Study of Heterogeneous Catalysis by Iron-Squarate based 3D Metal Organic Framework for the Transformation of Tetrazines to Oxadiazole derivatives.","Inorganic chemistry","2014","53","14","7071","7073","10.1021/ic5003258","","","0.71073","MoKα","","0.0671","0.0534","","","0.1435","0.1543","","","","","","1.044","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340303","13.1671","0.0016","14.3262","0.0017","17.744","0.002","71.689","0.004","70.189","0.004","87.272","0.004","2983.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H110 N2 O28 Ti6 -","- C140 H110 N2 O28 Ti6 -","- C140 H110 N2 O28 Ti6 -","1","0.5","","Hong, Keunil; Bak, Woojeong; Chun, Hyungphil","Robust Molecular Crystals of Titanium(IV)-oxo-Carboxylate Clusters Showing Water Stability and CO2 Sorption Capability.","Inorganic chemistry","2014","53","14","7288","7293","10.1021/ic500629y","","","0.71073","MoKα","","0.1219","0.0569","","","0.1132","0.135","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340304","13.124","0.003","14.948","0.003","15.715","0.003","81.56","0.03","88.73","0.03","73.82","0.03","2928.2","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C116 H144 O28 Ti6 -","- C116 H144 O28 Ti6 -","- C116 H144 O28 Ti6 -","1","0.5","","Hong, Keunil; Bak, Woojeong; Chun, Hyungphil","Robust Molecular Crystals of Titanium(IV)-oxo-Carboxylate Clusters Showing Water Stability and CO2 Sorption Capability.","Inorganic chemistry","2014","53","14","7288","7293","10.1021/ic500629y","","","0.70001","Synchrotron","","0.0774","0.0625","","","0.186","0.2033","","","","","","1.1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340305","12.152","0.002","13.18","0.003","15.218","0.003","96.18","0.03","110.66","0.03","92.05","0.03","2260.2","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H96 O24 Ti6 -","- C96 H96 O24 Ti6 -","- C96 H96 O24 Ti6 -","1","0.5","","Hong, Keunil; Bak, Woojeong; Chun, Hyungphil","Robust Molecular Crystals of Titanium(IV)-oxo-Carboxylate Clusters Showing Water Stability and CO2 Sorption Capability.","Inorganic chemistry","2014","53","14","7288","7293","10.1021/ic500629y","","","0.65999","Synchrotron","","0.0517","0.0463","","","0.1366","0.1412","","","","","","1.089","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340306","21.821","0.003","21.821","0.003","21.821","0.003","90","","90","","90","","10390","2","195","2","195","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C84 H120 O24 Ti6 -","- C84 H120 O24 Ti6 -","- C336 H480 O96 Ti24 -","4","0.166667","","Hong, Keunil; Bak, Woojeong; Chun, Hyungphil","Robust Molecular Crystals of Titanium(IV)-oxo-Carboxylate Clusters Showing Water Stability and CO2 Sorption Capability.","Inorganic chemistry","2014","53","14","7288","7293","10.1021/ic500629y","","","0.64999","Synchrotron","","0.0685","0.055","","","0.1818","0.1905","","","","","","1.085","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340307","25.9877","0.0014","13.4134","0.0008","6.8232","0.0004","90","","90","","90","","2378.5","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H15 Au3 N6 S3 -","- C21 H15 Au3 N6 S3 -","- C84 H60 Au12 N24 S12 -","4","1","","Earl, Lyndsey D.; Nagle, Jeffrey K.; Wolf, Michael O.","Tuning the extended structure and electronic properties of gold(i) thienyl pyrazolates.","Inorganic chemistry","2014","53","14","7106","7117","10.1021/ic4031365","","","0.71073","MoKα","","0.072","0.0409","","","0.0658","0.075","","","","","","1.042","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340308","34.404","0.005","22.375","0.003","13.0426","0.0019","90","","103.142","0.002","90","","9777","2","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H63 Au3 N6 S3 -","- C43.71 H60.42 Au3 N6 S3 -","- C349.68 H483.36 Au24 N48 S24 -","8","1","","Earl, Lyndsey D.; Nagle, Jeffrey K.; Wolf, Michael O.","Tuning the extended structure and electronic properties of gold(i) thienyl pyrazolates.","Inorganic chemistry","2014","53","14","7106","7117","10.1021/ic4031365","","","0.71073","MoKα","","0.1081","0.0612","","","0.1501","0.1969","","","","","","1.061","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340309","8.1003","0.0002","3.7999","0.0001","29.2151","0.0007","90","","96.53","0.001","90","","893.42","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 B Cl N2 -","- C10 H8 B Cl N2 -","- C40 H32 B4 Cl4 N8 -","4","1","","Bailey, Jonathan A.; Ploeger, Marten; Pringle, Paul G.","Mono-, di-, and triborylphosphine analogues of triarylphosphines.","Inorganic chemistry","2014","53","14","7763","7769","10.1021/ic501133n","","","0.71073","MoKα","","0.0296","0.0279","","","0.082","0.0834","","","","","","1.124","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340310","9.1263","0.0008","10.68","0.001","11.0452","0.001","113.86","0.005","102.299","0.006","105.052","0.006","886.98","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 B N2 P -","- C22 H18 B N2 P -","- C44 H36 B2 N4 P2 -","2","1","","Bailey, Jonathan A.; Ploeger, Marten; Pringle, Paul G.","Mono-, di-, and triborylphosphine analogues of triarylphosphines.","Inorganic chemistry","2014","53","14","7763","7769","10.1021/ic501133n","","","0.71073","MoKα","","0.0534","0.0371","","","0.085","0.0933","","","","","","1.014","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340311","13.685","0.0007","19.4779","0.0011","8.0751","0.0005","90","","90","","90","","2152.5","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H21 B2 N4 P -","- C26 H21 B2 N4 P -","- C104 H84 B8 N16 P4 -","4","1","","Bailey, Jonathan A.; Ploeger, Marten; Pringle, Paul G.","Mono-, di-, and triborylphosphine analogues of triarylphosphines.","Inorganic chemistry","2014","53","14","7763","7769","10.1021/ic501133n","","","0.71073","MoKα","","0.0625","0.0433","","","0.0907","0.0992","","","","","","1.052","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340312","14.3773","0.0003","14.3773","0.0003","7.2074","0.0002","90","","90","","120","","1290.22","0.05","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C30 H24 B3 N6 P -","- C30 H24 B3 N6 P -","- C60 H48 B6 N12 P2 -","2","0.333333","","Bailey, Jonathan A.; Ploeger, Marten; Pringle, Paul G.","Mono-, di-, and triborylphosphine analogues of triarylphosphines.","Inorganic chemistry","2014","53","14","7763","7769","10.1021/ic501133n","","","0.71073","MoKα","","0.0276","0.027","","","0.0782","0.0792","","","","","","1.058","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340313","9.873","0.0001","13.0201","0.0002","33.2549","0.0005","90","","90.629","0.001","90","","4274.57","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 B2 Mo N4 O4 P2 -","- C48 H36 B2 Mo N4 O4 P2 -","- C192 H144 B8 Mo4 N16 O16 P8 -","4","1","","Bailey, Jonathan A.; Ploeger, Marten; Pringle, Paul G.","Mono-, di-, and triborylphosphine analogues of triarylphosphines.","Inorganic chemistry","2014","53","14","7763","7769","10.1021/ic501133n","","","0.71073","MoKα","","0.0288","0.0243","","","0.0583","0.0605","","","","","","1.025","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340314","16.1443","0.0002","17.4185","0.0003","22.8343","0.0003","90","","90","","90","","6421.22","0.16","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H39 Cu Fe N2 O2 -","- C33 H39 Cu Fe N2 O2 -","- C264 H312 Cu8 Fe8 N16 O16 -","8","1","","Jayarathne, Upul; Parmelee, Sean R.; Mankad, Neal P.","Small Molecule Activation Chemistry of Cu-Fe Heterobimetallic Complexes Toward CS2 and N2O.","Inorganic chemistry","2014","53","14","7730","7737","10.1021/ic501054z","","","0.7107","MoKα","","0.038","0.0292","","","0.0694","0.0738","","","","","","1.036","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340315","10.3665","0.0004","11.7857","0.0005","16.5689","0.0006","84.196","0.003","82.224","0.003","64.322","0.004","1805.59","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C39 H51 Cu Fe N2 O2 -","- C39 H51 Cu Fe N2 O2 -","- C78 H102 Cu2 Fe2 N4 O4 -","2","1","","Jayarathne, Upul; Parmelee, Sean R.; Mankad, Neal P.","Small Molecule Activation Chemistry of Cu-Fe Heterobimetallic Complexes Toward CS2 and N2O.","Inorganic chemistry","2014","53","14","7730","7737","10.1021/ic501054z","","","0.7107","MoKα","","0.0498","0.0379","","","0.0803","0.0859","","","","","","1.073","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340316","12.0054","0.0003","21.7671","0.0004","23.9146","0.0007","90","","103.279","0.003","90","","6082.3","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61.5 H66 Cu2 Fe2 N4 O4 S4 -","- C61.5 H66 Cu2 Fe2 N4 O4 S4 -","- C246 H264 Cu8 Fe8 N16 O16 S16 -","4","1","","Jayarathne, Upul; Parmelee, Sean R.; Mankad, Neal P.","Small Molecule Activation Chemistry of Cu-Fe Heterobimetallic Complexes Toward CS2 and N2O.","Inorganic chemistry","2014","53","14","7730","7737","10.1021/ic501054z","","","1.5418","CuKα","","0.0625","0.0527","","","0.1372","0.1456","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340317","8.4518","0.0017","22.254","0.006","17.184","0.004","90","","98.131","0.007","90","","3199.6","1.3","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","IMesCuCp*","","","- C33.5 H45 Cu N2 -","- C31 H39 Cu N2 -","- C124 H156 Cu4 N8 -","4","1","","Jayarathne, Upul; Parmelee, Sean R.; Mankad, Neal P.","Small Molecule Activation Chemistry of Cu-Fe Heterobimetallic Complexes Toward CS2 and N2O.","Inorganic chemistry","2014","53","14","7730","7737","10.1021/ic501054z","","","0.71073","","","0.0808","0.0613","","","0.1805","0.1892","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340318","13.135","0.0005","14.855","0.0008","15.39","0.0005","90","","91.13","0.003","90","","3002.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Cu3 N30 O6 -","- C36 H44 Cu3 N30 O6 -","- C72 H88 Cu6 N60 O12 -","2","0.5","","He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Series of solvent-induced single-crystal to single-crystal transformations with different sizes of solvent molecules.","Inorganic chemistry","2014","53","14","7527","7533","10.1021/ic5008457","","","0.71069","MoKα","","0.0753","0.055","","","0.1421","0.1608","","","","","","1.041","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340319","13.261","0.0018","15.134","0.002","15.547","0.0019","90","","93.449","0.013","90","","3114.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 Cu3 N28 O2 -","- C48 H34 Cu3 N28 O2 -","- C96 H68 Cu6 N56 O4 -","2","0.5","","He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Series of solvent-induced single-crystal to single-crystal transformations with different sizes of solvent molecules.","Inorganic chemistry","2014","53","14","7527","7533","10.1021/ic5008457","","","0.71069","MoKα","","0.133","0.0848","","","0.2009","0.2401","","","","","","1.046","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340320","13.111","0.0005","14.791","0.0004","15.671","0.0004","90","","92.625","0.002","90","","3035.81","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 Cu3 N28 O2 -","- C40 H30 Cu3 N28 O2 -","- C80 H60 Cu6 N56 O4 -","2","0.5","","He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Series of solvent-induced single-crystal to single-crystal transformations with different sizes of solvent molecules.","Inorganic chemistry","2014","53","14","7527","7533","10.1021/ic5008457","","","1.54184","CuKα","","0.0824","0.0751","","","0.2124","0.2246","","","","","","1.063","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340321","12.825","0.0008","14.903","0.0012","15.963","0.0012","90","","92.847","0.007","90","","3047.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 Cu3 N28 O3 -","- C40 H30 Cu3 N28 O3 -","- C80 H60 Cu6 N56 O6 -","2","0.5","","He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Series of solvent-induced single-crystal to single-crystal transformations with different sizes of solvent molecules.","Inorganic chemistry","2014","53","14","7527","7533","10.1021/ic5008457","","","0.71069","MoKα","","0.1428","0.0885","","","0.2057","0.2451","","","","","","1.082","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340322","13.299","0.0007","14.71","0.0005","15.689","0.0005","90","","93.375","0.004","90","","3063.9","0.2","323","2","323","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Cu3 N28 O4 -","- C33.96 H30 Cu3 N28 O4.04 -","- C67.92 H60 Cu6 N56 O8.08 -","2","0.5","","He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Series of solvent-induced single-crystal to single-crystal transformations with different sizes of solvent molecules.","Inorganic chemistry","2014","53","14","7527","7533","10.1021/ic5008457","","","0.71069","MoKα","","0.0777","0.0587","","","0.1519","0.1696","","","","","","1.058","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340323","13.244","0.0007","14.521","0.0008","15.695","0.0008","90","","92.746","0.001","90","","3014.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Cu3 N26 O6 -","- C36 H16 Cu3 N26 O6 -","- C72 H32 Cu6 N52 O12 -","2","0.5","","He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Series of solvent-induced single-crystal to single-crystal transformations with different sizes of solvent molecules.","Inorganic chemistry","2014","53","14","7527","7533","10.1021/ic5008457","","","0.71069","MoKα","","0.0783","0.0665","","","0.2012","0.2133","","","","","","1.117","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340324","13.598","0.0008","15.095","0.0008","15.251","0.001","90","","93.613","0.006","90","","3124.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cu3 N26 O4 -","- C33.96 H16 Cu3 N26 O4.04 -","- C67.92 H32 Cu6 N52 O8.08 -","2","0.5","","He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Series of solvent-induced single-crystal to single-crystal transformations with different sizes of solvent molecules.","Inorganic chemistry","2014","53","14","7527","7533","10.1021/ic5008457","","","0.71069","MoKα","","0.1039","0.0683","","","0.1632","0.1903","","","","","","1.03","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340325","13.09","0.0009","14.744","0.0008","15.575","0.001","90","","91.641","0.007","90","","3004.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cu3 N28 O2 -","- C30 H30 Cu3 N28 O2 -","- C60 H60 Cu6 N56 O4 -","2","0.5","","He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Series of solvent-induced single-crystal to single-crystal transformations with different sizes of solvent molecules.","Inorganic chemistry","2014","53","14","7527","7533","10.1021/ic5008457","","","0.71069","MoKα","","0.1278","0.0796","","","0.185","0.2136","","","","","","1.175","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340326","6.877","0.0009","8.091","0.0011","9.724","0.001","85.104","0.01","82.417","0.009","73.058","0.012","512.42","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 Cu N10 O8 -","- C12 H24 Cu N10 O8 -","- C12 H24 Cu N10 O8 -","1","0.5","","He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Series of solvent-induced single-crystal to single-crystal transformations with different sizes of solvent molecules.","Inorganic chemistry","2014","53","14","7527","7533","10.1021/ic5008457","","","0.71069","MoKα","","0.0919","0.0677","","","0.1404","0.1557","","","","","","1.053","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340327","14.3601","0.0013","14.8626","0.0014","16.8788","0.0019","108.718","0.009","101.818","0.009","90.234","0.008","3330.1","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H56 Cl4 N10 O8.5 Ru2 -","- C76 H56 Cl4 N10 O8.5 Ru2 -","- C152 H112 Cl8 N20 O17 Ru4 -","2","1","","Mondal, Prasenjit; Agarwala, Hemlata; Jana, Rahul Dev; Plebst, Sebastian; Grupp, Anita; Ehret, Fabian; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Sensitivity of a Strained C-C Single Bond to Charge Transfer: Redox Activity in Mononuclear and Dinuclear Ruthenium Complexes of Bis(arylimino)acenaphthene (BIAN) Ligands.","Inorganic chemistry","2014","53","14","7389","7403","10.1021/ic500730m","","","1.5418","CuKα","","0.1881","0.0987","","","0.2169","0.2852","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340328","11.6789","0.0003","13.8716","0.0003","20.1947","0.0005","107.434","0.002","90.346","0.002","90.358","0.002","3121.18","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cl2 N2 O4 Ru -","- C34 H28 Cl2 N2 O4 Ru -","- C136 H112 Cl8 N8 O16 Ru4 -","4","2","","Mondal, Prasenjit; Agarwala, Hemlata; Jana, Rahul Dev; Plebst, Sebastian; Grupp, Anita; Ehret, Fabian; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Sensitivity of a Strained C-C Single Bond to Charge Transfer: Redox Activity in Mononuclear and Dinuclear Ruthenium Complexes of Bis(arylimino)acenaphthene (BIAN) Ligands.","Inorganic chemistry","2014","53","14","7389","7403","10.1021/ic500730m","","","0.71073","MoKα","","0.0501","0.0438","","","0.1104","0.1158","","","","","","1.045","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340329","11.8301","0.0009","12.5877","0.0009","20.3389","0.0013","105.246","0.006","90.936","0.006","92.43","0.006","2918.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N2 O4 Ru -","- C34 H30 N2 O4 Ru -","- C136 H120 N8 O16 Ru4 -","4","2","","Mondal, Prasenjit; Agarwala, Hemlata; Jana, Rahul Dev; Plebst, Sebastian; Grupp, Anita; Ehret, Fabian; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Sensitivity of a Strained C-C Single Bond to Charge Transfer: Redox Activity in Mononuclear and Dinuclear Ruthenium Complexes of Bis(arylimino)acenaphthene (BIAN) Ligands.","Inorganic chemistry","2014","53","14","7389","7403","10.1021/ic500730m","","","0.71073","MoKα","","0.0909","0.0639","","","0.156","0.1837","","","","","","1.088","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340330","30.8584","0.0008","14.7627","0.0004","14.3067","0.0004","90","","99.176","0.002","90","","6434.1","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H56 Cl4 N10 O12 Ru2 -","- C76 H56 Cl4 N10 O12 Ru2 -","- C304 H224 Cl16 N40 O48 Ru8 -","4","0.5","","Mondal, Prasenjit; Agarwala, Hemlata; Jana, Rahul Dev; Plebst, Sebastian; Grupp, Anita; Ehret, Fabian; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Sensitivity of a Strained C-C Single Bond to Charge Transfer: Redox Activity in Mononuclear and Dinuclear Ruthenium Complexes of Bis(arylimino)acenaphthene (BIAN) Ligands.","Inorganic chemistry","2014","53","14","7389","7403","10.1021/ic500730m","","","0.71073","MoKα","","0.053","0.0419","","","0.1061","0.115","","","","","","1.062","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340331","11.9357","0.0006","14.0574","0.0008","20.2303","0.0011","73.342","0.005","89.53","0.004","88.403","0.004","3250.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N2 O4 Ru -","- C36 H34 N2 O4 Ru -","- C144 H136 N8 O16 Ru4 -","4","2","","Mondal, Prasenjit; Agarwala, Hemlata; Jana, Rahul Dev; Plebst, Sebastian; Grupp, Anita; Ehret, Fabian; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Sensitivity of a Strained C-C Single Bond to Charge Transfer: Redox Activity in Mononuclear and Dinuclear Ruthenium Complexes of Bis(arylimino)acenaphthene (BIAN) Ligands.","Inorganic chemistry","2014","53","14","7389","7403","10.1021/ic500730m","","","0.71073","MoKα","","0.0664","0.0522","","","0.1238","0.1329","","","","","","1.11","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340332","11.8755","0.0008","14.1654","0.0006","20.024","0.001","74.629","0.004","88.123","0.005","88.54","0.004","3245.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N4 O8 Ru -","- C34 H28 N4 O8 Ru -","- C136 H112 N16 O32 Ru4 -","4","2","","Mondal, Prasenjit; Agarwala, Hemlata; Jana, Rahul Dev; Plebst, Sebastian; Grupp, Anita; Ehret, Fabian; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Sensitivity of a Strained C-C Single Bond to Charge Transfer: Redox Activity in Mononuclear and Dinuclear Ruthenium Complexes of Bis(arylimino)acenaphthene (BIAN) Ligands.","Inorganic chemistry","2014","53","14","7389","7403","10.1021/ic500730m","","","0.71073","MoKα","","0.1","0.0798","","","0.2116","0.2308","","","","","","1.039","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340333","20.0456","0.0015","8.7754","0.0006","5.5713","0.0004","90","","103.404","0.007","90","","953.34","0.12","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C13 H10 N -","- C13 H10 N -","- C52 H40 N4 -","4","1","","Mondal, Prasenjit; Agarwala, Hemlata; Jana, Rahul Dev; Plebst, Sebastian; Grupp, Anita; Ehret, Fabian; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Sensitivity of a Strained C-C Single Bond to Charge Transfer: Redox Activity in Mononuclear and Dinuclear Ruthenium Complexes of Bis(arylimino)acenaphthene (BIAN) Ligands.","Inorganic chemistry","2014","53","14","7389","7403","10.1021/ic500730m","","","1.5418","CuKα","","0.0309","0.0305","","","0.0884","0.0889","","","","","","1.14","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340334","25.3411","0.0006","16.7869","0.0004","16.1527","0.0003","90","","90","","90","","6871.3","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H99 Fe4 Mo4 N17 O16 -","- C46 H99 Fe4 Mo4 N17 O16 -","- C184 H396 Fe16 Mo16 N68 O64 -","4","1","","Falkenhagen, Jan P.; Braun, Beatrice; Bill, Eckhard; Sattler, Dominik; Limberg, Christian","A Cubic Fe4Mo4 Oxo Framework and Its Reversible Four-Electron Redox Chemistry.","Inorganic chemistry","2014","53","14","7294","7308","10.1021/ic500584a","","","0.71073","MoKα","","0.0302","0.0247","","","0.054","0.0671","","","","","","1.03","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340335","13.4045","0.0006","13.6116","0.0006","24.204","0.0011","79.947","0.004","82.025","0.004","65.663","0.003","3951","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H95 Fe4 Mo4 N21 O16 -","- C62 H95 Fe4 Mo4 N21 O16 -","- C124 H190 Fe8 Mo8 N42 O32 -","2","1","","Falkenhagen, Jan P.; Braun, Beatrice; Bill, Eckhard; Sattler, Dominik; Limberg, Christian","A Cubic Fe4Mo4 Oxo Framework and Its Reversible Four-Electron Redox Chemistry.","Inorganic chemistry","2014","53","14","7294","7308","10.1021/ic500584a","","","0.71073","MoKα","","0.0716","0.0535","","","0.1324","0.1405","","","","","","0.991","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340336","17.9761","0.0004","15.8643","0.0003","29.1971","0.0006","90","","93.683","0.002","90","","8309.2","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H99 F24 Fe4 Mo4 N17 O16 P4 -","- C46 H99 F24 Fe4 Mo4 N17 O16 P4 -","- C184 H396 F96 Fe16 Mo16 N68 O64 P16 -","4","1","","Falkenhagen, Jan P.; Braun, Beatrice; Bill, Eckhard; Sattler, Dominik; Limberg, Christian","A Cubic Fe4Mo4 Oxo Framework and Its Reversible Four-Electron Redox Chemistry.","Inorganic chemistry","2014","53","14","7294","7308","10.1021/ic500584a","","","0.71073","MoKα","","0.0569","0.0368","","","0.0825","0.0868","","","","","","1","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340337","30.6601","0.0007","30.6601","0.0007","15.3913","0.0004","90","","90","","90","","14468.5","0.6","100","2","100","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C36.5 H84.75 F12 Fe4 Mo4 N11.25 O16 P2 -","- C36.5 H84.75 F12 Fe4 Mo4 N12.25 O16 P2 -","- C292 H678 F96 Fe32 Mo32 N98 O128 P16 -","8","1","","Falkenhagen, Jan P.; Braun, Beatrice; Bill, Eckhard; Sattler, Dominik; Limberg, Christian","A Cubic Fe4Mo4 Oxo Framework and Its Reversible Four-Electron Redox Chemistry.","Inorganic chemistry","2014","53","14","7294","7308","10.1021/ic500584a","","","1.54178","CuKα","","0.0847","0.0773","","","0.1816","0.1867","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340338","8.004","0.0018","8.4023","0.0019","8.703","0.002","71.019","0.003","75.257","0.003","73.746","0.003","522.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","potassium cadmium germanium arsenide (1/1/1/2)","potassium cadmium germanium arsenide (1/1/1/2)","","- As2 Cd Ge K -","- As2 Cd Ge K -","- As8 Cd4 Ge4 K4 -","4","2","","Khatun, Mansura; Stoyko, Stanislav S.; Mar, Arthur","Quaternary Arsenides ACdGeAs2 (A = K, Rb) Built of Ethane-Like Ge2As6 Units.","Inorganic chemistry","2014","53","14","7756","7762","10.1021/ic5011264","","","0.71073","MoKα","","0.0318","0.0239","","","0.0432","0.0455","","","","","","0.996","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340339","8.2692","0.0013","8.4519","0.0013","8.7349","0.0013","71.163","0.002","75.601","0.002","73.673","0.002","546.04","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","rubidium cadmium germanium arsenide (1/1/1/2)","rubidium cadmium germanium arsenide (1/1/1/2)","","- As2 Cd Ge Rb -","- As2 Cd Ge Rb -","- As8 Cd4 Ge4 Rb4 -","4","2","","Khatun, Mansura; Stoyko, Stanislav S.; Mar, Arthur","Quaternary Arsenides ACdGeAs2 (A = K, Rb) Built of Ethane-Like Ge2As6 Units.","Inorganic chemistry","2014","53","14","7756","7762","10.1021/ic5011264","","","0.71073","MoKα","","0.0467","0.0298","","","0.0497","0.0548","","","","","","0.969","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340340","12.2188","0.0008","13.7977","0.001","19.6975","0.0013","70.648","0.001","75.691","0.001","69.169","0.001","2896.7","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H66 Ag2 Mo24 N30 O87 P2 -","- C48 H58 Ag2 Mo24 N30 O87 P2 -","- C48 H58 Ag2 Mo24 N30 O87 P2 -","1","0.5","","Wang, Xiu-Li; Li, Na; Tian, Ai-Xiang; Ying, Jun; Li, Tian-Jiao; Lin, Xiao-Ling; Luan, Jian; Yang, Yang","Unprecedented Application of Flexible Bis(pyridyl-tetrazole) Ligands To Construct Helix/Loop Subunits To Modify Polyoxometalate Anions.","Inorganic chemistry","2014","53","14","7118","7129","10.1021/ic403153f","","","0.71073","MoKα","","0.0495","0.0346","","","0.08","0.0853","","","","","","1.012","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340341","21.7793","0.0015","24.0089","0.0015","13.1613","0.0008","90","","99.004","0.001","90","","6797.2","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Ag4 Mo12 N20 O42 P -","- C32 H36 Ag4 Mo12 N20 O42 P -","- C128 H144 Ag16 Mo48 N80 O168 P4 -","4","0.5","","Wang, Xiu-Li; Li, Na; Tian, Ai-Xiang; Ying, Jun; Li, Tian-Jiao; Lin, Xiao-Ling; Luan, Jian; Yang, Yang","Unprecedented Application of Flexible Bis(pyridyl-tetrazole) Ligands To Construct Helix/Loop Subunits To Modify Polyoxometalate Anions.","Inorganic chemistry","2014","53","14","7118","7129","10.1021/ic403153f","","","0.71073","MoKα","","0.0871","0.053","","","0.1391","0.1659","","","","","","1.041","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340342","28.0496","0.0019","15.2674","0.001","22.9741","0.0015","90","","99.003","0.001","90","","9717.3","1.1","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H47 Ag3 N25 O64 P2 W18 -","- C40 H40 Ag3 N25 O64 P2 W18 -","- C160 H160 Ag12 N100 O256 P8 W72 -","4","1","","Wang, Xiu-Li; Li, Na; Tian, Ai-Xiang; Ying, Jun; Li, Tian-Jiao; Lin, Xiao-Ling; Luan, Jian; Yang, Yang","Unprecedented Application of Flexible Bis(pyridyl-tetrazole) Ligands To Construct Helix/Loop Subunits To Modify Polyoxometalate Anions.","Inorganic chemistry","2014","53","14","7118","7129","10.1021/ic403153f","","","0.71073","MoKα","","0.1119","0.0698","","","0.161","0.1839","","","","","","1.038","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340343","18.889","0.004","24.87","0.005","6.5249","0.0013","90","","110.21","0.03","90","","2876.5","1.2","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H29.5 Cl0 Cu N4.5 Na0 O10.5 -","- C22 H14 Cu N4 O7 -","- C88 H56 Cu4 N16 O28 -","4","0.5","","Zhu, Yu; Wang, Yan-Mei; Zhao, Sheng-Yun; Liu, Pan; Wei, Chao; Wu, Yun-Long; Xia, Chang-Kun; Xie, Ji-Min","Three N-H Functionalized Metal-Organic Frameworks with Selective CO2 Uptake, Dye Capture, and Catalysis.","Inorganic chemistry","2014","53","14","7692","7699","10.1021/ic5009895","","","0.71073","MoKα","","0.1168","0.1014","","","0.2892","0.304","","","","","","0.987","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340344","20.976","0.004","4.9944","0.001","29.502","0.01","90","","128.922","0.019","90","","2404.6","1.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23.8 H23.2 Cl0 N4.6 O7.1 Pb -","- C22 H14 N4 O5 Pb -","- C88 H56 N16 O20 Pb4 -","4","1","","Zhu, Yu; Wang, Yan-Mei; Zhao, Sheng-Yun; Liu, Pan; Wei, Chao; Wu, Yun-Long; Xia, Chang-Kun; Xie, Ji-Min","Three N-H Functionalized Metal-Organic Frameworks with Selective CO2 Uptake, Dye Capture, and Catalysis.","Inorganic chemistry","2014","53","14","7692","7699","10.1021/ic5009895","","","0.71073","MoKα","","0.0423","0.0336","","","0.0868","0.089","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340345","6.7566","0.0014","23.183","0.005","17.755","0.004","90","","90","","90","","2781.1","1","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H29 N5 O9 Zn -","- C22 H14 N4 O6 Zn -","- C88 H56 N16 O24 Zn4 -","4","1","","Zhu, Yu; Wang, Yan-Mei; Zhao, Sheng-Yun; Liu, Pan; Wei, Chao; Wu, Yun-Long; Xia, Chang-Kun; Xie, Ji-Min","Three N-H Functionalized Metal-Organic Frameworks with Selective CO2 Uptake, Dye Capture, and Catalysis.","Inorganic chemistry","2014","53","14","7692","7699","10.1021/ic5009895","","","0.71073","MoKα","","0.1572","0.1015","","","0.2387","0.2797","","","","","","1.057","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340346","39.5241","0.0008","39.5241","0.0008","39.5241","0.0008","90","","90","","90","","61743","2","294","2","294","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C24 H27 Dy3 N6 O12 -","- C24 H15 Dy3 N6 O12 -","- C288 H180 Dy36 N72 O144 -","12","0.25","","Du, Miao; Chen, Min; Wang, Xi; Wen, Jiong; Yang, Xiao-Gang; Fang, Shao-Ming; Liu, Chun-Sen","Versatile Mesoporous Dy(III) Coordination Framework for Highly Efficient Trapping of Diverse Pollutants.","Inorganic chemistry","2014","53","14","7074","7076","10.1021/ic5005374","","","1.54184","CuKα","","0.1144","0.0924","","","0.2584","0.2795","","","","","","1.072","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340347","26.9665","0.001","13.219","0.0004","39.5373","0.0008","90","","96.589","0.002","90","","14000.8","0.7","130","0.1","130","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C75.5 H68 Ag3 B2 D F8 O0.5 P6 -","- C75.5 H66.5 Ag3 B2 D F8 O0.5 P6 -","- C604 H532 Ag24 B16 D8 F64 O4 P48 -","8","1","","Zavras, Athanasios; Khairallah, George N.; Connell, Timothy U.; White, Jonathan M.; Edwards, Alison J.; Mulder, Roger J.; Donnelly, Paul S.; O'Hair, Richard A J","Synthesis, Structural Characterization, and Gas-Phase Unimolecular Reactivity of the Silver Hydride Nanocluster [Ag3((PPh2)2CH2)3(μ3-H)](BF4)2.","Inorganic chemistry","2014","53","14","7429","7437","10.1021/ic5007499","","","0.7107","MoKα","","0.0475","0.0318","","","0.0624","0.0692","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340348","26.9665","0.001","13.219","0.0004","39.5373","0.0008","90","","96.589","0.002","90","","14000.8","0.7","123","","123","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C75.5 H68 Ag3 B2 D F8 O0.5 P6 -","- C75.5 H68 Ag3 B2 D F8 O0.5 P6 -","- C604 H544 Ag24 B16 D8 F64 O4 P48 -","8","1","","Zavras, Athanasios; Khairallah, George N.; Connell, Timothy U.; White, Jonathan M.; Edwards, Alison J.; Mulder, Roger J.; Donnelly, Paul S.; O'Hair, Richard A J","Synthesis, Structural Characterization, and Gas-Phase Unimolecular Reactivity of the Silver Hydride Nanocluster [Ag3((PPh2)2CH2)3(μ3-H)](BF4)2.","Inorganic chemistry","2014","53","14","7429","7437","10.1021/ic5007499","","neutron","0.85","neutron","","0.1652","0.128","","0.1491","0.1051","0.1002","","","","","","0.9993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340349","12.602","0.0009","5.3875","0.0004","6.9527","0.0003","90","","102.621","0.004","90","","460.64","0.05","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Barium uranyl phosphate","","","- Ba2 O10 P2 U -","- Ba2 O10 P2 U -","- Ba4 O20 P4 U2 -","2","0.25","","Wu, Shijun; Kowalski, Piotr M.; Yu, Na; Malcherek, Thomas; Depmeier, Wulf; Bosbach, Dirk; Wang, Shuao; Suleimanov, Evgeny V.; Albrecht-Schmitt, Thomas E; Alekseev, Evgeny V.","Highly Distorted Uranyl Ion Coordination and One/Two-Dimensional Structural Relationship in the Ba2[UO2(TO4)2] (T = P, As) System: An Experimental and Computational Study.","Inorganic chemistry","2014","53","14","7650","7660","10.1021/ic500965v","","","0.71073","MoKα","","0.0383","0.0315","","","0.0682","0.0716","","","","","","1.143","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340350","11.1033","0.0005","8.7704","0.0003","21.3572","0.0008","90","0.003","104.686","0.003","90","0.003","2011.83","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Barium uranyl arsenate","","","- As2 Ba2 O10 U -","- As2 Ba2 O10 U -","- As16 Ba16 O80 U8 -","8","2","","Wu, Shijun; Kowalski, Piotr M.; Yu, Na; Malcherek, Thomas; Depmeier, Wulf; Bosbach, Dirk; Wang, Shuao; Suleimanov, Evgeny V.; Albrecht-Schmitt, Thomas E; Alekseev, Evgeny V.","Highly Distorted Uranyl Ion Coordination and One/Two-Dimensional Structural Relationship in the Ba2[UO2(TO4)2] (T = P, As) System: An Experimental and Computational Study.","Inorganic chemistry","2014","53","14","7650","7660","10.1021/ic500965v","","","0.71073","MoKα","","0.0504","0.0293","","","0.0567","0.0626","","","","","","1.034","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340351","6.774","0.002","8.634","0.003","9.03","0.004","104.55","0.03","93.87","0.02","112.13","0.03","465.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Barium uranyl phosphate","","","- Ba2 O10 P2 U -","- Ba2 O10 P2 U -","- Ba4 O20 P4 U2 -","2","1","","Wu, Shijun; Kowalski, Piotr M.; Yu, Na; Malcherek, Thomas; Depmeier, Wulf; Bosbach, Dirk; Wang, Shuao; Suleimanov, Evgeny V.; Albrecht-Schmitt, Thomas E; Alekseev, Evgeny V.","Highly Distorted Uranyl Ion Coordination and One/Two-Dimensional Structural Relationship in the Ba2[UO2(TO4)2] (T = P, As) System: An Experimental and Computational Study.","Inorganic chemistry","2014","53","14","7650","7660","10.1021/ic500965v","","","0.71073","MoKα","","0.0406","0.0398","","","0.1427","0.1442","","","","","","1.367","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340352","31.879","0.002","36.385","0.003","45.373","0.004","90","","108.367","0.002","90","","49948","7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","{[Fe4(C40H44S4O4)(Cl)]2[Fe4(C40H44S4O4)(SO4)]4(C12H6O4N2)8} 2-","","","- C336 H312 Cl2 Fe24 N16 O72 S28 -","- C336 H312 Cl2 Fe24 N16 O72 S28 -","- C1344 H1248 Cl8 Fe96 N64 O288 S112 -","4","1","","Tan, Huaqiao; Du, Shangchao; Bi, Yanfeng; Liao, Wuping","Two Elongated Octahedral Coordination Cages Constructed by M4-TC4A Secondary Building Units (M = Co(II) and Fe(II)) and 2,2'-Bipyridine-4,4'-dicarboxylic Acids.","Inorganic chemistry","2014","53","14","7083","7085","10.1021/ic501012e","","","0.71073","MoKα","","0.1208","0.0888","","","0.2382","0.2612","","","","","","1.017","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340353","31.658","0.003","36.128","0.003","45.154","0.004","90","","108.341","0.002","90","","49021","8","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","{[Co4(C40H44S4O4)(Cl)]2[Co4(C40H44S4O4)(SO4)]4(C12H6O4N2)8} 2-","","","- C336 H312 Cl2 Co24 N16 O72 S28 -","- C336 H312 Cl2 Co24 N16 O72 S28 -","- C1344 H1248 Cl8 Co96 N64 O288 S112 -","4","1","","Tan, Huaqiao; Du, Shangchao; Bi, Yanfeng; Liao, Wuping","Two Elongated Octahedral Coordination Cages Constructed by M4-TC4A Secondary Building Units (M = Co(II) and Fe(II)) and 2,2'-Bipyridine-4,4'-dicarboxylic Acids.","Inorganic chemistry","2014","53","14","7083","7085","10.1021/ic501012e","","","0.71073","MoKα","","0.1008","0.0743","","","0.2013","0.2175","","","","","","1.048","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340354","42.194","0.002","20.4776","0.0013","17.1835","0.001","90","","106.507","0.004","90","","14235.2","1.4","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C65 H54 B2 F30 Fe2 N4 O5 S2 -","- C65 H54 B2 F30 Fe2 N4 O5 S2 -","- C520 H432 B16 F240 Fe16 N32 O40 S16 -","8","1","","Manor, Brian C.; Ringenberg, Mark R.; Rauchfuss, Thomas B.","Borane-Protected Cyanides as Surrogates of H-Bonded Cyanides in [FeFe]-Hydrogenase Active Site Models.","Inorganic chemistry","2014","53","14","7241","7247","10.1021/ic500470z","","","0.71073","MoKα","","0.1282","0.0557","","","0.1146","0.1429","","","","","","1.006","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340355","7.39267","0.00005","7.39267","0.00005","7.39267","0.00005","90","","90","","90","","404.021","","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ca Cu3 O12 Rh4 -","- Ca Cu3 O12 Rh4 -","- Ca2 Cu6 O24 Rh8 -","2","0.0416667","","Yamada, Ikuya; Ochi, Mikiko; Mizumaki, Masaichiro; Hariki, Atsushi; Uozumi, Takayuki; Takahashi, Ryoji; Irifune, Tetsuo","High-Pressure Synthesis, Crystal Structure, and Unusual Valence State of Novel Perovskite Oxide CaCu3Rh4O12.","Inorganic chemistry","2014","53","14","7089","7091","10.1021/ic501341x","powder diffraction","","0.77378","","","0.00787","","","","","","0.01604","0.01344","1.115","","","","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340357","14.2756","0.0007","14.2756","0.0007","27.1417","0.0014","90","","90","","90","","5531.3","0.5","293","2","293","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C29.5 H25.9 Cu N2.5 O5.7 -","- C29.5 H25.9 Cu N2.5 O5.7 -","- C236 H207.2 Cu8 N20 O45.6 -","8","","","Cucos, Paula; Tuna, Floriana; Sorace, Lorenzo; Matei, Iulia; Maxim, Catalin; Shova, Sergiu; Gheorghe, Ruxandra; Caneschi, Andrea; Hillebrand, Mihaela; Andruh, Marius","Magnetic and luminescent binuclear double-stranded helicates.","Inorganic chemistry","2014","53","14","7738","7747","10.1021/ic501051q","","","0.7107","MoKα","","0.1305","0.0781","","","0.1867","0.2193","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340358","15.0569","0.0007","13.7433","0.0006","30.4285","0.0017","90","","92.452","0.004","90","","6290.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H65 Co2 N7 O13 -","- C65 H65 Co2 N7 O13 -","- C260 H260 Co8 N28 O52 -","4","1","","Cucos, Paula; Tuna, Floriana; Sorace, Lorenzo; Matei, Iulia; Maxim, Catalin; Shova, Sergiu; Gheorghe, Ruxandra; Caneschi, Andrea; Hillebrand, Mihaela; Andruh, Marius","Magnetic and luminescent binuclear double-stranded helicates.","Inorganic chemistry","2014","53","14","7738","7747","10.1021/ic501051q","","","0.71073","MoKα","","0.1644","0.049","","","0.0879","0.1118","","","","","","0.776","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4340359","15.0884","0.0006","13.7579","0.0006","30.3069","0.0013","90","","92.14","","90","","6286.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H65 N7 O13 Zn2 -","- C65 H65 N7 O13 Zn2 -","- C260 H260 N28 O52 Zn8 -","4","1","","Cucos, Paula; Tuna, Floriana; Sorace, Lorenzo; Matei, Iulia; Maxim, Catalin; Shova, Sergiu; Gheorghe, Ruxandra; Caneschi, Andrea; Hillebrand, Mihaela; Andruh, Marius","Magnetic and luminescent binuclear double-stranded helicates.","Inorganic chemistry","2014","53","14","7738","7747","10.1021/ic501051q","","","0.71073","MoKα","","0.1087","0.0549","","","0.1218","0.1466","","","","","","0.92","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4340360","4.20935","0.00002","4.20935","0.00002","10.4922","0.0001","90","","90","","120","","161.001","0.0019","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","silver germanium antimony telluride","silver germanium antimony telluride","","- Ag0.067 Ge0.767 Sb0.133 Te -","- Ag0.0666667 Ge0.766667 Sb0.133333 Te -","- Ag0.2 Ge2.3 Sb0.4 Te3 -","3","0.166667","","Schröder, Thorsten; Rosenthal, Tobias; Giesbrecht, Nadja; Nentwig, Markus; Maier, Stefan; Wang, Heng; Snyder, G. Jeffrey; Oeckler, Oliver","Nanostructures in Te/Sb/Ge/Ag (TAGS) Thermoelectric Materials Induced by Phase Transitions Associated with Vacancy Ordering.","Inorganic chemistry","2014","53","14","7722","7729","10.1021/ic5010243","powder diffraction","x-ray","1.54051","CuKα~1~","","","","","","","","0.0147","","0.947","","","","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340361","5.99253","0.00002","5.99253","0.00002","5.99253","0.00002","90","","90","","90","","215.194","0.0012","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","silver germanium antimony telluride","silver germanium antimony telluride","","- Ag0.111 Ge0.611 Sb0.222 Te -","- Ag0.111111 Ge0.611111 Sb0.222222 Te -","- Ag0.444444 Ge2.44444 Sb0.888889 Te4 -","4","0.0208333","","Schröder, Thorsten; Rosenthal, Tobias; Giesbrecht, Nadja; Nentwig, Markus; Maier, Stefan; Wang, Heng; Snyder, G. Jeffrey; Oeckler, Oliver","Nanostructures in Te/Sb/Ge/Ag (TAGS) Thermoelectric Materials Induced by Phase Transitions Associated with Vacancy Ordering.","Inorganic chemistry","2014","53","14","7722","7729","10.1021/ic5010243","powder diffraction","x-ray","1.54051","CuKα~1~","","","","","","","","0.0182","","1.43","","","","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340362","6.01175","0.00002","6.01175","0.00002","6.01175","0.00002","90","","90","","90","","217.271","0.0013","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","silver germanium antimony telluride","silver germanium antimony telluride","","- Ag0.133 Ge0.533 Sb0.267 Te -","- Ag0.133333 Ge0.533333 Sb0.266667 Te -","- Ag0.533333 Ge2.13333 Sb1.06667 Te4 -","4","0.0208333","","Schröder, Thorsten; Rosenthal, Tobias; Giesbrecht, Nadja; Nentwig, Markus; Maier, Stefan; Wang, Heng; Snyder, G. Jeffrey; Oeckler, Oliver","Nanostructures in Te/Sb/Ge/Ag (TAGS) Thermoelectric Materials Induced by Phase Transitions Associated with Vacancy Ordering.","Inorganic chemistry","2014","53","14","7722","7729","10.1021/ic5010243","powder diffraction","x-ray","1.54051","CuKα~1~","","","","","","","","0.0139","","0.997","","","","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340363","16.873","0.002","17.57","0.002","22.008","0.003","99.709","0.003","105.197","0.002","112.518","0.002","5545.1","1.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H134 Dy6 O38 -","- C86 H132 Dy6 O38 -","- C172 H264 Dy12 O76 -","2","1","","Joarder, Biplab; Mukherjee, Soumya; Xue, Shufang; Tang, Jinkui; Ghosh, Sujit K.","Structures and magnetic properties of two analogous dy6 wheels with electron-donation and -withdrawal effects.","Inorganic chemistry","2014","53","14","7554","7560","10.1021/ic500875m","","","0.71073","MoKα","","0.0543","0.0439","","","0.1674","0.176","","","","","","1.308","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340364","11.0686","0.0018","17.344","0.003","19.33","0.003","113.975","0.003","100.42","0.003","100.367","0.003","3199.4","0.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H98 Dy6 N12 O62 -","- C98 H84 Dy6 N12 O62 -","- C98 H84 Dy6 N12 O62 -","1","0.5","","Joarder, Biplab; Mukherjee, Soumya; Xue, Shufang; Tang, Jinkui; Ghosh, Sujit K.","Structures and magnetic properties of two analogous dy6 wheels with electron-donation and -withdrawal effects.","Inorganic chemistry","2014","53","14","7554","7560","10.1021/ic500875m","","","0.71073","MoKα","","0.1954","0.0807","","","0.2195","0.2963","","","","","","1.043","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340365","34.4985","0.0014","34.4985","0.0014","20.3429","0.0006","90","","90","","90","","24211","1.6","293","2","293","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- C27 H15 O17 Zr3 -","- C27 H15 O16 Zr3 -","- C432 H240 O256 Zr48 -","16","0.5","","Wang, Rongming; Wang, Zhiying; Xu, Yuwen; Dai, Fangna; Zhang, Liangliang; Sun, Daofeng","Porous Zirconium Metal-Organic Framework Constructed from 2D \ρightarrow 3D Interpenetration Based on a 3,6-Connected kgd Net.","Inorganic chemistry","2014","53","14","7086","7088","10.1021/ic5012764","","","0.71073","MoKα","","0.1232","0.0674","","","0.1874","0.2042","","","","","","1.174","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340366","14.135","0.014","14.686","0.014","13.512","0.013","90","","92.57","0.011","90","","2802","5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound P","","","- C22 H23 B F4 Ir N11 -","- C22 H23 B F4 Ir N11 -","- C88 H92 B4 F16 Ir4 N44 -","4","1","","Monti, Filippo; Baschieri, Andrea; Gualandi, Isacco; Serrano-Pérez, Juan J; Junquera-Hernández, José M; Tonelli, Domenica; Mazzanti, Andrea; Muzzioli, Sara; Stagni, Stefano; Roldan-Carmona, Cristina; Pertegás, Antonio; Bolink, Henk J.; Ortí, Enrique; Sambri, Letizia; Armaroli, Nicola","Iridium(III) Complexes with Phenyl-tetrazoles as Cyclometalating Ligands.","Inorganic chemistry","2014","53","14","7709","7721","10.1021/ic500999k","","","0.71073","MoKα","","0.0963","0.0731","","","0.2021","0.2272","","","","","","1.055","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340367","11.3642","0.001","12.0847","0.0011","17.144","0.002","104.668","0.002","96.421","0.002","116.715","0.001","1964","0.3","296","2","296","2","","","","","","","","7","P 1","P 1","1","complex 2","","","- C35 H40 B Cl2 F4 Ir N10 -","- C35 H40 B Cl2 F4 Ir N10 -","- C70 H80 B2 Cl4 F8 Ir2 N20 -","2","2","","Monti, Filippo; Baschieri, Andrea; Gualandi, Isacco; Serrano-Pérez, Juan J; Junquera-Hernández, José M; Tonelli, Domenica; Mazzanti, Andrea; Muzzioli, Sara; Stagni, Stefano; Roldan-Carmona, Cristina; Pertegás, Antonio; Bolink, Henk J.; Ortí, Enrique; Sambri, Letizia; Armaroli, Nicola","Iridium(III) Complexes with Phenyl-tetrazoles as Cyclometalating Ligands.","Inorganic chemistry","2014","53","14","7709","7721","10.1021/ic500999k","","","0.71073","MoKα","","0.0338","0.0306","","","0.0844","0.0865","","","","","","1.054","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340368","12.3364","0.0006","18.478","0.0009","14.2837","0.0007","90","","100.418","0.001","90","","3202.3","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complex 3","","","- C29 H24 B Cl2 F4 Ir N10 -","- C29 H24 B Cl2 F4 Ir N10 -","- C116 H96 B4 Cl8 F16 Ir4 N40 -","4","1","","Monti, Filippo; Baschieri, Andrea; Gualandi, Isacco; Serrano-Pérez, Juan J; Junquera-Hernández, José M; Tonelli, Domenica; Mazzanti, Andrea; Muzzioli, Sara; Stagni, Stefano; Roldan-Carmona, Cristina; Pertegás, Antonio; Bolink, Henk J.; Ortí, Enrique; Sambri, Letizia; Armaroli, Nicola","Iridium(III) Complexes with Phenyl-tetrazoles as Cyclometalating Ligands.","Inorganic chemistry","2014","53","14","7709","7721","10.1021/ic500999k","","","0.71073","MoKα","","0.0235","0.0199","","","0.0506","0.0529","","","","","","1.04","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340369","13.0239","0.0005","18.7309","0.0008","27.4524","0.0009","90","","93.368","0.003","90","","6685.4","0.4","299","1","299","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H60 Cu3 N4 O12 -","- C54 H60 Cu3 N4 O12 -","- C216 H240 Cu12 N16 O48 -","4","1","","Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia","Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons.","Inorganic chemistry","2014","53","14","7276","7287","10.1021/ic500573e","","","0.7107","MoKα","","0.0612","0.0508","","","0.1328","0.139","","","","","","1.098","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340370","21.9256","0.0003","12.308","0.00015","26.9809","0.0004","90","","102.766","0.0012","90","","7101.09","0.17","303","0.9","303","0.9","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H63 Cl9 Cu3 N4 O12 -","- C57 H62.957 Cl9 Cu3 N4 O12 -","- C228 H251.828 Cl36 Cu12 N16 O48 -","4","1","","Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia","Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons.","Inorganic chemistry","2014","53","14","7276","7287","10.1021/ic500573e","","","0.7107","MoKα","","0.0723","0.0633","","","0.1953","0.2042","","","","","","1.09","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340371","13.47327","0.00017","15.9098","0.0002","17.6909","0.0002","104.255","0.0012","101.279","0.0011","90.0928","0.0011","3599.48","0.08","297.2","0.3","297.2","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C56 H56 Cl15 Cu3 N3 O12 -","- C56 H56 Cl15 Cu3 N3 O12 -","- C112 H112 Cl30 Cu6 N6 O24 -","2","1","","Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia","Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons.","Inorganic chemistry","2014","53","14","7276","7287","10.1021/ic500573e","","","0.7107","MoKα","","0.0645","0.0587","","","0.1617","0.1674","","","","","","1.037","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340372","31.932","0.0011","31.932","0.0011","38.4178","0.001","90","","90","","120","","33924.6","1.9","297.8","0.3","297.8","0.3","","","","","","","","6","R -3","-R 3","148","","","","- C53 H53 Cl6 Cu3 N3 O12 -","- C53 H53 Cl6 Cu3 N3 O12 -","- C954 H954 Cl108 Cu54 N54 O216 -","18","","","Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia","Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons.","Inorganic chemistry","2014","53","14","7276","7287","10.1021/ic500573e","","","0.7107","MoKα","","0.0718","0.0537","","","0.1545","0.1674","","","","","","0.989","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340373","16.0207","0.0007","16.0207","0.0007","17.076","0.0009","90","","90","","120","","3795.6","0.3","296.2","1","296.2","1","","","","","","","","7","P -3","-P 3","147","","","","- C19 H21 Cl3 Cu N O4 P0.33 -","- C19 H21 Cl3 Cu N O4 P0.333333 -","- C114 H126 Cl18 Cu6 N6 O24 P2 -","6","1","","Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia","Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons.","Inorganic chemistry","2014","53","14","7276","7287","10.1021/ic500573e","","","0.7107","MoKα","","0.0578","0.0513","","","0.1484","0.1543","","","","","","1.075","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340374","22.1525","0.0003","22.1525","0.0003","31.1429","0.0006","90","","90","","120","","13235.3","0.4","298","0.14","298","0.14","","","","","","","","7","R -3","-R 3","148","","","","- C20 H22 Cl6 Cu N O4.33 P0.33 -","- C20 H22 Cl6 Cu N O4.33333 P0.333333 -","- C360 H396 Cl108 Cu18 N18 O78 P6 -","18","","","Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia","Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons.","Inorganic chemistry","2014","53","14","7276","7287","10.1021/ic500573e","","","0.7107","MoKα","","0.0956","0.0774","","","0.2419","0.2668","","","","","","1.069","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340375","16.0718","0.0003","17.1376","0.0004","23.9629","0.0005","75.7831","0.0018","79.9734","0.0018","89.9734","0.0017","6294.1","0.2","298","1","298","1","","","","","","","","6","P -1","-P 1","2","","","","- C109 H109 Cl15 Cu6 N4 O24 -","- C109 H109 Cl15 Cu6 N4 O24 -","- C218 H218 Cl30 Cu12 N8 O48 -","2","1","","Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia","Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons.","Inorganic chemistry","2014","53","14","7276","7287","10.1021/ic500573e","","","0.7107","MoKα","","0.0593","0.0546","","","0.1522","0.1569","","","","","","1.013","","","","has coordinates,has disorder","179506","2020-10-21","18:00:00",""
"4340437","13.9376","0.0017","26.624","0.003","19.344","0.002","90","","91.94","0.002","90","","7174","1.4","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H64 Cl4 N9 O Ru2 -","- C78 H64 Cl4 N9 O Ru2 -","- C312 H256 Cl16 N36 O4 Ru8 -","4","1","","Manowong, Machima; Han, Baocheng; McAloon, Thomas R.; Shao, Jianguo; Guzei, Ilia A.; Ngubane, Siyabonga; Van Caemelbecke, Eric; Bear, John L.; Kadish, Karl M.","Effect of axial ligands on the spectroscopic and electrochemical properties of diruthenium compounds.","Inorganic chemistry","2014","53","14","7416","7428","10.1021/ic5007605","","","0.71073","Mo-Kα","","0.0726","0.0498","","","0.1224","0.1322","","","","","","0.985","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340438","24.54","0.008","24.54","0.008","40.5","0.013","90","","90","","90","","24390","14","100","2","100","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C76.2 H59.33 N8.01 O Ru2 -","- C73.8678 H57.6943 N7.78743 O0.915286 Ru1.94686 -","- C1034.15 H807.72 N109.024 O12.814 Ru27.256 -","14","1.75","","Manowong, Machima; Han, Baocheng; McAloon, Thomas R.; Shao, Jianguo; Guzei, Ilia A.; Ngubane, Siyabonga; Van Caemelbecke, Eric; Bear, John L.; Kadish, Karl M.","Effect of axial ligands on the spectroscopic and electrochemical properties of diruthenium compounds.","Inorganic chemistry","2014","53","14","7416","7428","10.1021/ic5007605","","","1.54178","CuKα","","0.0464","0.0421","","","0.0999","0.1028","","","","","","1.001","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340439","10.3278","0.0013","8.8893","0.0011","26.418","0.004","90","","92.104","0.001","90","","2423.7","0.6","91","","91","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Ag Cl N2 O7 -","- C26 H32 Ag Cl N2 O7 -","- C104 H128 Ag4 Cl4 N8 O28 -","4","1","","Takashima, Ippei; Kanegae, Anna; Sugimoto, Manabu; Ojida, Akio","Aza-crown-ether-appended xanthene: selective ratiometric fluorescent probe for silver(i) ion based on arene-metal ion interaction.","Inorganic chemistry","2014","53","14","7080","7082","10.1021/ic500980j","","","0.71069","MoKα","","","0.0342","","","","0.0837","","","","","","1.191","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340440","16.847","0.004","16.69","0.004","7.3211","0.0018","90","","100.475","0.007","90","","2024.2","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PD1 Copper(II) Complex","(Z)-Ethyl-5-[5-(2,2'-bipyrrol)-5'-ylidene(phenyl)methyl]-pyrrole-2- carboxylate Copper(II) Hydrate","","- C22 H20.6 Cu N3 O3.8 -","- C22 H17 Cu N3 O2.55 -","- C88 H68 Cu4 N12 O10.2 -","4","1","","Chang, Tsuhen M.; Sinharay, Sanhita; Astashkin, Andrei V.; Tomat, Elisa","Prodigiosin analogue designed for metal coordination: stable zinc and copper pyrrolyldipyrrins.","Inorganic chemistry","2014","53","14","7518","7526","10.1021/ic5008439","","","0.71073","MoKα","","0.0917","0.0569","","","0.1936","0.2186","","","","","","1.08","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340441","9.7497","0.0006","13.8451","0.0009","13.8646","0.0009","84.27","0.002","76.557","0.002","81.568","0.002","1796.4","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Bis-PD1 Zinc(II) Complex","Bis-(Z)-Ethyl-5-[5-(2,2'-bipyrrol)-5'-ylidene(phenyl)methyl]-pyrrole-2- carboxylate Zinc(II) Complex","","- C44 H36 N6 O4 Zn -","- C44 H36 N6 O4 Zn -","- C88 H72 N12 O8 Zn2 -","2","1","","Chang, Tsuhen M.; Sinharay, Sanhita; Astashkin, Andrei V.; Tomat, Elisa","Prodigiosin analogue designed for metal coordination: stable zinc and copper pyrrolyldipyrrins.","Inorganic chemistry","2014","53","14","7518","7526","10.1021/ic5008439","","","0.71073","MoKα","","0.122","0.0592","","","0.1051","0.1249","","","","","","1.006","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340442","28.6094","0.0009","9.2197","0.0003","28.526","0.0009","90","","100.55","0.001","90","","7397.1","0.4","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C72 H57 F9 Mn3 N15 O12 S3 -","- C72 H57 F9 Mn3 N15 O12 S3 -","- C288 H228 F36 Mn12 N60 O48 S12 -","4","1","","Wijeratne, Gayan B.; Corzine, Briana; Day, Victor W.; Jackson, Timothy A.","Saturation Kinetics in Phenolic O-H Bond Oxidation by a Mononuclear Mn(III)-OH Complex Derived from Dioxygen.","Inorganic chemistry","2014","53","14","7622","7634","10.1021/ic500943k","","","1.54178","CuKα","","0.0372","0.037","","","0.0958","0.096","","","","","","1.018","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340443","9.2406","0.0003","24.7263","0.0008","12.2658","0.0004","90","","97.257","0.001","90","","2780.11","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 F3 Mn N6 O5 S -","- C26 H24 F3 Mn N6 O5 S -","- C104 H96 F12 Mn4 N24 O20 S4 -","4","1","","Wijeratne, Gayan B.; Corzine, Briana; Day, Victor W.; Jackson, Timothy A.","Saturation Kinetics in Phenolic O-H Bond Oxidation by a Mononuclear Mn(III)-OH Complex Derived from Dioxygen.","Inorganic chemistry","2014","53","14","7622","7634","10.1021/ic500943k","","","1.54178","CuKα","","0.0314","0.0311","","","0.0782","0.0785","","","","","","1.035","","","","has coordinates,has disorder","179507","2020-10-21","18:00:00",""
"4340444","11.0716","0.0008","11.5269","0.0008","15.1284","0.0011","91.882","0.004","109.554","0.003","117.6","0.003","1571","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H48 Cr N4 Si2 -","- C29 H48 Cr N4 Si2 -","- C58 H96 Cr2 N8 Si4 -","2","1","","Morris, Wesley D.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Cundari, Thomas R.; Lobkovsky, Emil B.","Iron and chromium complexes containing tridentate chelates based on nacnac and imino- and methyl-pyridine components: triggering C-x bond formation.","Inorganic chemistry","2014","53","14","7467","7484","10.1021/ic500807y","","","0.71073","MoKα","","0.0597","0.038","","","0.0839","0.0931","","","","","","1.027","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340445","8.7885","0.0006","11.7993","0.0008","15.856","0.001","98.584","0.004","96.286","0.004","100.285","0.004","1583.96","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H48 Fe N4 Si2 -","- C29 H48 Fe N4 Si2 -","- C58 H96 Fe2 N8 Si4 -","2","1","","Morris, Wesley D.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Cundari, Thomas R.; Lobkovsky, Emil B.","Iron and chromium complexes containing tridentate chelates based on nacnac and imino- and methyl-pyridine components: triggering C-x bond formation.","Inorganic chemistry","2014","53","14","7467","7484","10.1021/ic500807y","","","0.71073","MoKα","","0.0731","0.0456","","","0.1269","0.1418","","","","","","1.034","","","","has coordinates,has disorder","179507","2020-10-21","18:00:00",""
"4340446","11.9196","0.0004","16.2443","0.0005","15.5843","0.0005","90","","94.987","0.001","90","","3006.1","0.17","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 Co N4 Si2 -","- C27 H44 Co N4 Si2 -","- C108 H176 Co4 N16 Si8 -","4","1","","Morris, Wesley D.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Cundari, Thomas R.; Lobkovsky, Emil B.","Iron and chromium complexes containing tridentate chelates based on nacnac and imino- and methyl-pyridine components: triggering C-x bond formation.","Inorganic chemistry","2014","53","14","7467","7484","10.1021/ic500807y","","","0.71073","MoKα","","0.0609","0.0378","","","0.0842","0.0947","","","","","","1.011","","","","has coordinates,has disorder","179507","2020-10-21","18:00:00",""
"4340447","12.2363","0.0006","11.8702","0.0006","15.9743","0.0008","90","","101.925","0.001","90","","2270.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Br Fe N3 -","- C23 H30 Br Fe N3 -","- C92 H120 Br4 Fe4 N12 -","4","1","","Morris, Wesley D.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Cundari, Thomas R.; Lobkovsky, Emil B.","Iron and chromium complexes containing tridentate chelates based on nacnac and imino- and methyl-pyridine components: triggering C-x bond formation.","Inorganic chemistry","2014","53","14","7467","7484","10.1021/ic500807y","","","0.71073","MoKα","","0.0382","0.028","","","0.0727","0.077","","","","","","1.037","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340448","9.1288","0.0007","10.9943","0.0008","15.2486","0.0012","85.922","0.003","88.695","0.003","69.62","0.003","1430.99","0.19","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H41 Fe N3 O2 -","- C30 H41 Fe N3 O2 -","- C60 H82 Fe2 N6 O4 -","2","1","","Morris, Wesley D.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Cundari, Thomas R.; Lobkovsky, Emil B.","Iron and chromium complexes containing tridentate chelates based on nacnac and imino- and methyl-pyridine components: triggering C-x bond formation.","Inorganic chemistry","2014","53","14","7467","7484","10.1021/ic500807y","","","0.71073","MoKα","","0.0469","0.0348","","","0.092","0.0984","","","","","","1.064","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340449","8.9026","0.0005","9.0638","0.0006","15.4509","0.001","90.636","0.002","103.81","0.002","110.307","0.002","1129.41","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Fe N3 O2 -","- C25 H29 Fe N3 O2 -","- C50 H58 Fe2 N6 O4 -","2","1","","Morris, Wesley D.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Cundari, Thomas R.; Lobkovsky, Emil B.","Iron and chromium complexes containing tridentate chelates based on nacnac and imino- and methyl-pyridine components: triggering C-x bond formation.","Inorganic chemistry","2014","53","14","7467","7484","10.1021/ic500807y","","","0.71073","MoKα","","0.031","0.0272","","","0.0754","0.0785","","","","","","1.02","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340450","9.6836","0.0007","13.1687","0.0009","14.8173","0.001","97.047","0.002","102.152","0.003","107.505","0.002","1726.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H41 Cr N3 O4 -","- C39 H41 Cr N3 O4 -","- C78 H82 Cr2 N6 O8 -","2","1","","Morris, Wesley D.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Cundari, Thomas R.; Lobkovsky, Emil B.","Iron and chromium complexes containing tridentate chelates based on nacnac and imino- and methyl-pyridine components: triggering C-x bond formation.","Inorganic chemistry","2014","53","14","7467","7484","10.1021/ic500807y","","","0.71073","MoKα","","0.0368","0.032","","","0.0868","0.0907","","","","","","1.03","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340451","19.371","0.007","17.597","0.006","16.506","0.006","90","","102.446","0.008","90","","5494","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H64 Cl2 Fe2 N6 -","- C52 H64 Cl2 Fe2 N6 -","- C208 H256 Cl8 Fe8 N24 -","4","1","","Morris, Wesley D.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Cundari, Thomas R.; Lobkovsky, Emil B.","Iron and chromium complexes containing tridentate chelates based on nacnac and imino- and methyl-pyridine components: triggering C-x bond formation.","Inorganic chemistry","2014","53","14","7467","7484","10.1021/ic500807y","","","0.71073","MoKα","","0.0618","0.0391","","","0.0896","0.0969","","","","","","1.002","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340452","19.624","0.002","11.6891","0.0014","16.0964","0.0017","90","","90","","90","","3692.3","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C42 H50 Fe N6 -","- C42 H50 Fe N6 -","- C168 H200 Fe4 N24 -","4","1","","Morris, Wesley D.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Cundari, Thomas R.; Lobkovsky, Emil B.","Iron and chromium complexes containing tridentate chelates based on nacnac and imino- and methyl-pyridine components: triggering C-x bond formation.","Inorganic chemistry","2014","53","14","7467","7484","10.1021/ic500807y","","","0.71073","MoKα","","0.0914","0.0463","","","0.0722","0.0862","","","","","","0.996","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340453","18.7675","0.0004","15.7753","0.0003","21.2437","0.0005","90","","90","","90","","6289.5","0.2","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C72 H78 Fe2 N8 -","- C72 H78 Fe2 N8 -","- C288 H312 Fe8 N32 -","4","0.5","","Morris, Wesley D.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Cundari, Thomas R.; Lobkovsky, Emil B.","Iron and chromium complexes containing tridentate chelates based on nacnac and imino- and methyl-pyridine components: triggering C-x bond formation.","Inorganic chemistry","2014","53","14","7467","7484","10.1021/ic500807y","","","0.71073","MoKα","","0.0744","0.042","","","0.102","0.1176","","","","","","1.011","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340454","7.3496","0.0005","7.8254","0.0006","15.4376","0.0011","83.869","0.006","83.169","0.006","72.136","0.007","836.74","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","aqua-bis(5-cianopyridine-2-carboxylato-N,O)-oxidovanadium(IV) dihydrate","","- C14 H12 N4 O8 V -","- C14 H12 N4 O8 V -","- C28 H24 N8 O16 V2 -","2","1","","Koleša-Dobravc, Tanja; Lodyga-Chruscinska, Elzbieta; Symonowicz, Marzena; Sanna, Daniele; Meden, Anton; Perdih, Franc; Garribba, Eugenio","Synthesis and Characterization of V(IV)O Complexes of Picolinate and Pyrazine Derivatives. Behavior in the Solid State and Aqueous Solution and Biotransformation in the Presence of Blood Plasma Proteins.","Inorganic chemistry","2014","53","15","7960","","10.1021/ic500766t","","","0.71073","MoKα","","0.0501","0.0408","","","0.0947","0.1","","","","","","1.04","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340455","6.5182","0.0003","11.3405","0.0005","14.6439","0.0006","67.241","0.004","89.32","0.003","77.516","0.004","971.49","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","aqua-bis(5-cianopyridine-2-carboxylato-N,O)-oxidovanadium(IV) tetrahydrate","","- C14 H12 N4 O10 V -","- C14 H12 N4 O10 V -","- C28 H24 N8 O20 V2 -","2","1","","Koleša-Dobravc, Tanja; Lodyga-Chruscinska, Elzbieta; Symonowicz, Marzena; Sanna, Daniele; Meden, Anton; Perdih, Franc; Garribba, Eugenio","Synthesis and Characterization of V(IV)O Complexes of Picolinate and Pyrazine Derivatives. Behavior in the Solid State and Aqueous Solution and Biotransformation in the Presence of Blood Plasma Proteins.","Inorganic chemistry","2014","53","15","7960","","10.1021/ic500766t","","","0.71073","MoKα","","0.0569","0.0417","","","0.0969","0.1068","","","","","","1.041","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340456","7.9857","0.0004","11.6552","0.0005","12.4147","0.0006","107.575","0.004","103.785","0.004","99.25","0.004","1035.49","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","sodium-bis(3-hydroxypyridine-2-carboxylato-N,O)- (3-hydroxypyridine-2-carboxylato-O)-oxidovanadate(IV) hydrate","","- C18 H14 N3 Na O11 V -","- C18 H14 N3 Na O11 V -","- C36 H28 N6 Na2 O22 V2 -","2","1","","Koleša-Dobravc, Tanja; Lodyga-Chruscinska, Elzbieta; Symonowicz, Marzena; Sanna, Daniele; Meden, Anton; Perdih, Franc; Garribba, Eugenio","Synthesis and Characterization of V(IV)O Complexes of Picolinate and Pyrazine Derivatives. Behavior in the Solid State and Aqueous Solution and Biotransformation in the Presence of Blood Plasma Proteins.","Inorganic chemistry","2014","53","15","7960","","10.1021/ic500766t","","","0.71073","MoKα","","0.0838","0.0519","","","0.1187","0.133","","","","","","1.032","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340457","5.9655","0.0001","13.0234","0.0002","8.5143","0.0002","90","","105.382","0.002","90","","637.79","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Λ-aqua-bis(pyrazine-2-carboxylato-N,O)-oxidovanadium(IV)","","- C10 H8 N4 O6 V -","- C10 H8 N4 O6 V -","- C20 H16 N8 O12 V2 -","2","1","","Koleša-Dobravc, Tanja; Lodyga-Chruscinska, Elzbieta; Symonowicz, Marzena; Sanna, Daniele; Meden, Anton; Perdih, Franc; Garribba, Eugenio","Synthesis and Characterization of V(IV)O Complexes of Picolinate and Pyrazine Derivatives. Behavior in the Solid State and Aqueous Solution and Biotransformation in the Presence of Blood Plasma Proteins.","Inorganic chemistry","2014","53","15","7960","","10.1021/ic500766t","","","1.54184","CuKα","","0.0249","0.0244","","","0.0645","0.0652","","","","","","1.042","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340458","5.966","0.0001","13.0237","0.0002","8.5124","0.0001","90","","105.377","0.002","90","","637.731","0.017","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Δ-aqua-bis(pyrazine-2-carboxylato-N,O)-oxidovanadium(IV)","","- C10 H8 N4 O6 V -","- C10 H8 N4 O6 V -","- C20 H16 N8 O12 V2 -","2","1","","Koleša-Dobravc, Tanja; Lodyga-Chruscinska, Elzbieta; Symonowicz, Marzena; Sanna, Daniele; Meden, Anton; Perdih, Franc; Garribba, Eugenio","Synthesis and Characterization of V(IV)O Complexes of Picolinate and Pyrazine Derivatives. Behavior in the Solid State and Aqueous Solution and Biotransformation in the Presence of Blood Plasma Proteins.","Inorganic chemistry","2014","53","15","7960","","10.1021/ic500766t","","","1.54184","CuKα","","0.0295","0.0294","","","0.0768","0.0769","","","","","","1.044","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340459","12.465","0.0004","14.212","0.0005","13.312","0.0005","90","","102.09","0.002","90","","2305.95","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Cl2 Fe N7 -","- C22 H19 Cl2 Fe N7 -","- C88 H76 Cl8 Fe4 N28 -","4","1","","Thallaj, Nasser K.; Orain, Pierre-Yves; Thibon, Aurore; Sandroni, Martina; Welter, Richard; Mandon, Dominique","Steric Congestion at, and Proximity to, a Ferrous Center Leads to Hydration of α-Nitrile Substituents Forming Coordinated Carboxamides.","Inorganic chemistry","2014","53","15","7824","","10.1021/ic500096h","","","0.71073","MoKα","","0.1161","0.0528","","","0.1098","0.1288","","","","","","1.009","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340460","11.036","0.0004","18.38","0.0008","14.364","0.0005","90","","130.44","0.03","90","","2217.5","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Cl4 Fe2 N12 O5 -","- C40 H40 Cl4 Fe2 N12 O5 -","- C80 H80 Cl8 Fe4 N24 O10 -","2","0.5","","Thallaj, Nasser K.; Orain, Pierre-Yves; Thibon, Aurore; Sandroni, Martina; Welter, Richard; Mandon, Dominique","Steric Congestion at, and Proximity to, a Ferrous Center Leads to Hydration of α-Nitrile Substituents Forming Coordinated Carboxamides.","Inorganic chemistry","2014","53","15","7824","","10.1021/ic500096h","","","0.71073","MoKα","","0.0737","0.0516","","","0.0993","0.1078","","","","","","0.99","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340461","11.0253","0.0008","8.9504","0.0006","25.0265","0.0018","90","","95.868","0.006","90","","2456.7","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl2 Fe N7 -","- C22 H19 Cl2 Fe N7 -","- C88 H76 Cl8 Fe4 N28 -","4","1","","Thallaj, Nasser K.; Orain, Pierre-Yves; Thibon, Aurore; Sandroni, Martina; Welter, Richard; Mandon, Dominique","Steric Congestion at, and Proximity to, a Ferrous Center Leads to Hydration of α-Nitrile Substituents Forming Coordinated Carboxamides.","Inorganic chemistry","2014","53","15","7824","","10.1021/ic500096h","","x-ray","0.71073","MoKα","","0.137","0.0587","","","0.1099","0.1292","","","","","","0.906","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4340462","14.5113","0.0007","17.903","0.0008","21.1473","0.001","99.311","0.001","102.138","0.001","91.578","0.001","5289.6","0.4","191","2","191","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H94 Cu6 Dy2 N16 O43 -","- C85 H87 Cu6 Dy2 N16 O43 -","- C170 H174 Cu12 Dy4 N32 O86 -","2","1","","Xue, Shufang; Guo, Yun-Nan; Zhao, Lang; Zhang, Haixia; Tang, Jinkui","Molecular Magnetic Investigation of a Family of Octanuclear [Cu6Ln2] Nanoclusters.","Inorganic chemistry","2014","53","15","8165","","10.1021/ic501226v","","","0.71073","MoKα","","0.0865","0.0555","","","0.157","0.1815","","","","","","1.017","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340463","13.721","0.0009","17.2254","0.0011","23.0876","0.0014","107.091","0.001","101.421","0.001","94.625","0.001","5056.1","0.6","191","2","191","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H94 Cu6 N16 O46 Tb2 -","- C82 H78 Cu6 N16 O44 Tb2 -","- C164 H156 Cu12 N32 O88 Tb4 -","2","1","","Xue, Shufang; Guo, Yun-Nan; Zhao, Lang; Zhang, Haixia; Tang, Jinkui","Molecular Magnetic Investigation of a Family of Octanuclear [Cu6Ln2] Nanoclusters.","Inorganic chemistry","2014","53","15","8165","","10.1021/ic501226v","","","0.71073","MoKα","","0.126","0.0662","","","0.1635","0.2007","","","","","","0.997","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340464","7.4238","0.001","11.6101","0.0016","18.942","0.003","90","","91.096","0.003","90","","1632.3","0.4","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Cl N O11 Re -","- C10 H7 Cl N O11 Re -","- C40 H28 Cl4 N4 O44 Re4 -","4","1","","Miroslavov, Alexander E.; Polotskii, Yuriy S.; Gurzhiy, Vladislav V.; Ivanov, Alexander Yu; Lumpov, Alexander A.; Tyupina, Margarita Yu; Sidorenko, Georgy V.; Tolstoy, Peter M.; Maltsev, Daniil A.; Suglobov, Dmitry N.","Technetium and Rhenium Pentacarbonyl Complexes with C2 and C11 ω-Isocyanocarboxylic Acid Esters.","Inorganic chemistry","2014","53","15","7861","","10.1021/ic500327s","","","0.71073","MoKα","","0.0435","0.0318","","","0.0727","0.076","","","","","","0.973","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340465","7.3874","0.0012","11.6564","0.0018","18.762","0.003","90","","90.907","0.003","90","","1615.4","0.4","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Cl N O11 Tc -","- C10 H7 Cl N O11 Tc -","- C40 H28 Cl4 N4 O44 Tc4 -","4","1","","Miroslavov, Alexander E.; Polotskii, Yuriy S.; Gurzhiy, Vladislav V.; Ivanov, Alexander Yu; Lumpov, Alexander A.; Tyupina, Margarita Yu; Sidorenko, Georgy V.; Tolstoy, Peter M.; Maltsev, Daniil A.; Suglobov, Dmitry N.","Technetium and Rhenium Pentacarbonyl Complexes with C2 and C11 ω-Isocyanocarboxylic Acid Esters.","Inorganic chemistry","2014","53","15","7861","","10.1021/ic500327s","","","0.71073","MoKα","","0.0623","0.0577","","","0.141","0.1474","","","","","","1.079","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340466","10.0845","0.0005","10.0845","0.0005","12.7055","0.0012","90","","90","","120","","1119","0.13","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C8 Ca5 Cs Na5 O24 -","- C8 Ca4.99 Cs Na5.01 O23.98 -","- C16 Ca9.98 Cs2 Na10.02 O47.96 -","2","0.166667","","Luo, Min; Wang, GenXiang; Lin, Chensheng; Ye, Ning; Zhou, Yuqiao; Cheng, Wendan","Na4La2(CO3)5 and CsNa5Ca5(CO3)8: Two New Carbonates as UV Nonlinear Optical Materials.","Inorganic chemistry","2014","53","15","8098","","10.1021/ic501089f","","","0.71073","MoKα","","0.0404","0.0386","","","0.0913","0.093","","","","","","1.149","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4340467","10.55","0.02","10.55","0.02","6.47","0.02","90","","90","","120","","624","3","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- C5 La2 Na4 O15 -","- C5 La2.01 Na3.99 O15 -","- C10 La4.02 Na7.98 O30 -","2","0.166667","","Luo, Min; Wang, GenXiang; Lin, Chensheng; Ye, Ning; Zhou, Yuqiao; Cheng, Wendan","Na4La2(CO3)5 and CsNa5Ca5(CO3)8: Two New Carbonates as UV Nonlinear Optical Materials.","Inorganic chemistry","2014","53","15","8098","","10.1021/ic501089f","","","0.71073","MoKα","","0.0582","0.0562","","","0.1211","0.1227","","","","","","1.294","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4340468","9.5745","0.0005","9.261","0.0005","21.0029","0.0011","90","","99.734","0.002","90","","1835.5","0.17","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 N4 Zn -","- C48 H36 N4 Zn -","- C96 H72 N8 Zn2 -","2","0.5","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Pitfalls in Bromination Reactions of Zinc Porphyrins: Two-Sided Ring Opening of the Porphyrin Macrocycle.","Inorganic chemistry","2014","53","15","7894","","10.1021/ic500468r","","","0.71073","MoKα","","0.0506","0.0368","","","0.0924","0.0995","","","","","","1.02","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340469","16.8255","0.0005","18.3237","0.0005","19.8035","0.0006","90","","95.885","0.001","90","","6073.3","0.3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C107 H86 Br20 Cl6 N8 O8 Zn2 -","- C107 H86 Br20 Cl6 N8 O8 Zn2 -","- C214 H172 Br40 Cl12 N16 O16 Zn4 -","2","0.5","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Pitfalls in Bromination Reactions of Zinc Porphyrins: Two-Sided Ring Opening of the Porphyrin Macrocycle.","Inorganic chemistry","2014","53","15","7894","","10.1021/ic500468r","","","0.71073","MoKα","","0.0409","0.0293","","","0.0732","0.0785","","","","","","0.999","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340470","22.0103","0.0009","21.6959","0.0008","22.7148","0.0008","90","","90.858","0.001","90","","10845.9","0.7","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H33 Br10 Cl N4 O4 Zn -","- C48.5 H33 Br10 Cl N4 O4 Zn -","- C388 H264 Br80 Cl8 N32 O32 Zn8 -","8","2","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Pitfalls in Bromination Reactions of Zinc Porphyrins: Two-Sided Ring Opening of the Porphyrin Macrocycle.","Inorganic chemistry","2014","53","15","7894","","10.1021/ic500468r","","","0.71073","MoKα","","0.1347","0.0821","","","0.1681","0.1864","","","","","","1.039","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340471","26.8013","0.0011","26.8013","0.0011","9.6943","0.0004","90","","90","","90","","6963.5","0.5","110","2","110","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C36 H34 Br4 N2 O4 -","- C36 H34 Br4 N2 O4 -","- C288 H272 Br32 N16 O32 -","8","0.5","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Pitfalls in Bromination Reactions of Zinc Porphyrins: Two-Sided Ring Opening of the Porphyrin Macrocycle.","Inorganic chemistry","2014","53","15","7894","","10.1021/ic500468r","","","0.71073","MoKα","","0.0412","0.0274","","","0.0569","0.0621","","","","","","0.997","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340472","28.013","0.002","38.621","0.003","10.3927","0.0008","90","","90","","90","","11243.8","1.5","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C73 H68 N2 O -","- C73 H68 N2 O -","- C584 H544 N16 O8 -","8","0.5","","Maity, Arnab K.; Fortier, Skye; Griego, Leonel; Metta-Magaña, Alejandro J","Synthesis of a ""Super Bulky"" Guanidinate Possessing an Expandable Coordination Pocket.","Inorganic chemistry","2014","53","15","8155","","10.1021/ic501219q","","","0.71073","MoKα","","0.05","0.0394","","","0.0822","0.0866","","","","","","1.052","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340473","47.125","0.003","13.7727","0.0009","22.1743","0.0014","90","","92.324","0.001","90","","14380.1","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H94 Cs N3 O -","- C86 H94 Cs N3 O -","- C688 H752 Cs8 N24 O8 -","8","1","","Maity, Arnab K.; Fortier, Skye; Griego, Leonel; Metta-Magaña, Alejandro J","Synthesis of a ""Super Bulky"" Guanidinate Possessing an Expandable Coordination Pocket.","Inorganic chemistry","2014","53","15","8155","","10.1021/ic501219q","","","0.71073","MoKα","","0.0628","0.0376","","","0.1031","0.1261","","","","","","0.826","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340474","13.3345","0.0003","19.184","0.0004","15.6017","0.0003","90","","100.092","0.001","90","","3929.31","0.14","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C94 H112 K N3 -","- C94 H75 K N3 -","- C188 H150 K2 N6 -","2","1","","Maity, Arnab K.; Fortier, Skye; Griego, Leonel; Metta-Magaña, Alejandro J","Synthesis of a ""Super Bulky"" Guanidinate Possessing an Expandable Coordination Pocket.","Inorganic chemistry","2014","53","15","8155","","10.1021/ic501219q","","","0.71073","MoKα","","0.1065","0.068","","","0.157","0.1772","","","","","","1.043","","","","has coordinates,has disorder","179507","2020-10-21","18:00:00",""
"4340475","11.5162","0.001","13.9456","0.0013","18.8607","0.0017","69.174","0.002","80.489","0.002","76.285","0.002","2739.5","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C73 H66 N2 -","- C73 H66 N2 -","- C146 H132 N4 -","2","1","","Maity, Arnab K.; Fortier, Skye; Griego, Leonel; Metta-Magaña, Alejandro J","Synthesis of a ""Super Bulky"" Guanidinate Possessing an Expandable Coordination Pocket.","Inorganic chemistry","2014","53","15","8155","","10.1021/ic501219q","","","0.71073","MoKα","","0.0976","0.0564","","","0.1467","0.1861","","","","","","0.999","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340476","8.2348","0.0004","16.6337","0.0008","10.4261","0.0005","90","","106.102","0.002","90","","1372.09","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H13 N P2 S6 -","- C6 H13 N P2 S6 -","- C24 H52 N4 P8 S24 -","4","1","","Amir, Aviran; Ezra, Alon; Shimon, Linda J. W.; Fischer, Bilha","Novel Cu(I)-Selective Chelators Based on a Bis(phosphorothioyl)amide Scaffold.","Inorganic chemistry","2014","53","15","7901","","10.1021/ic500465z","","","0.71073","MoKα","","0.0262","0.0245","","","0.0624","0.0633","","","","","","1.089","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340477","8.197","0.0016","11.374","0.002","19.694","0.004","90","","90","","90","","1836.1","0.6","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 N2 O4 P2 S2 -","- C12 H28 N2 O4 P2 S2 -","- C48 H112 N8 O16 P8 S8 -","4","1","","Amir, Aviran; Ezra, Alon; Shimon, Linda J. W.; Fischer, Bilha","Novel Cu(I)-Selective Chelators Based on a Bis(phosphorothioyl)amide Scaffold.","Inorganic chemistry","2014","53","15","7901","","10.1021/ic500465z","","","0.71073","MoKα","","0.0452","0.0418","","","0.1109","0.1139","","","","","","1.085","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340478","11.95","0.0002","9.3645","0.0003","19.1773","0.0006","90","","100.133","0.002","90","","2112.58","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 N2 P2 S6 -","- C12 H28 N2 P2 S6 -","- C48 H112 N8 P8 S24 -","4","1","","Amir, Aviran; Ezra, Alon; Shimon, Linda J. W.; Fischer, Bilha","Novel Cu(I)-Selective Chelators Based on a Bis(phosphorothioyl)amide Scaffold.","Inorganic chemistry","2014","53","15","7901","","10.1021/ic500465z","","","0.71073","MoKα","","0.0723","0.0551","","","0.1509","0.1654","","","","","","1.09","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340479","10.1192","0.0013","23.29","0.003","11.2686","0.0014","90","","113.551","0.006","90","","2434.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Mn N5 O2 -","- C28 H22 Mn N5 O2 -","- C112 H88 Mn4 N20 O8 -","4","1","","Song, Jeong Hwa; Lim, Kwang Soo; Ryu, Dae Won; Yoon, Sung Won; Suh, Byoung Jin; Hong, Chang Seop","Synthesis, Structures, and Magnetic Properties of End-to-End Azide-Bridged Manganese(III) Chains: Elucidation of Direct Magnetostructural Correlation.","Inorganic chemistry","2014","53","15","7936","","10.1021/ic500676k","","","0.71073","MoKα","","0.0826","0.0473","","","0.0876","0.0988","","","","","","1.024","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340480","13.4912","0.0003","18.9024","0.0005","31.0832","0.0007","90","","90","","90","","7926.7","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C93 H84 Mn3 N15 O6 -","- C93 H84 Mn3 N15 O6 -","- C372 H336 Mn12 N60 O24 -","4","1","","Song, Jeong Hwa; Lim, Kwang Soo; Ryu, Dae Won; Yoon, Sung Won; Suh, Byoung Jin; Hong, Chang Seop","Synthesis, Structures, and Magnetic Properties of End-to-End Azide-Bridged Manganese(III) Chains: Elucidation of Direct Magnetostructural Correlation.","Inorganic chemistry","2014","53","15","7936","","10.1021/ic500676k","","","0.71073","MoKα","","0.0836","0.0621","","","0.1321","0.1505","","","","","","1.049","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340481","12.8732","0.0014","4.6587","0.0004","8.3222","0.0008","90","","102.351","0.003","90","","487.55","0.08","140","2","140","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","phosphorus nitride imide","Tetraphosphorus hexanitride imide","","- H N7 P4 -","- H N7 P4 -","- H4 N28 P16 -","4","0.5","","Baumann, Dominik; Schnick, Wolfgang","High-Pressure Polymorph of Phosphorus Nitride Imide HP4N7 Representing a New Framework Topology.","Inorganic chemistry","2014","53","15","7977","","10.1021/ic500767f","","","0.71073","MoKα","","0.0769","0.0485","","","0.0984","0.1083","","","","","","1.046","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340482","11.7717","0.0003","14.9915","0.0003","15.5208","0.0003","89.481","0.002","71.817","0.002","83.976","0.002","2587.08","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H54 B Cl7 N4 O Ru -","- C49 H53 B Cl4 N4 O Ru -","- C98 H106 B2 Cl8 N8 O2 Ru2 -","2","1","","Leigh, Vivienne; Carleton, Daniel J.; Olguin, Juan; Mueller-Bunz, Helge; Wright, L. James; Albrecht, Martin","Solvent-Dependent Switch of Ligand Donor Ability and Catalytic Activity of Ruthenium(II) Complexes Containing Pyridinylidene Amide (PYA) N-Heterocyclic Carbene Hybrid Ligands.","Inorganic chemistry","2014","53","15","8054","","10.1021/ic501026k","","","1.54184","CuKα","","0.0371","0.0355","","","0.0916","0.0929","","","","","","1.065","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340483","21.07","0.005","21.07","0.005","10.811","0.005","90","0.005","90","0.005","90","0.005","4799","3","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C76 H80 Fe4 N8 O16 P4 -","- C76 H80 Fe4 N8 O16 P4 -","- C152 H160 Fe8 N16 O32 P8 -","2","0.25","","Goura, Joydeb; Bag, Prasenjit; Mereacre, Valeriu; Powell, Annie K.; Chandrasekhar, Vadapalli","Molecular Iron(III) Phosphonates: Synthesis, Structure, Magnetism, and Mössbauer Studies.","Inorganic chemistry","2014","53","15","8147","","10.1021/ic5012154","","","0.71069","MoKα","","0.0838","0.0699","","","0.1756","0.1821","","","","","","1.063","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340484","13.793","0.005","16.125","0.005","16.939","0.005","105.022","0.005","106.93","0.005","112.167","0.005","3034.4","1.7","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C111 H108 Cl9 Fe5 N17 O20 P3 -","- C111 H108 Cl9 Fe5 N17 O20 P3 -","- C111 H108 Cl9 Fe5 N17 O20 P3 -","1","1","","Goura, Joydeb; Bag, Prasenjit; Mereacre, Valeriu; Powell, Annie K.; Chandrasekhar, Vadapalli","Molecular Iron(III) Phosphonates: Synthesis, Structure, Magnetism, and Mössbauer Studies.","Inorganic chemistry","2014","53","15","8147","","10.1021/ic5012154","","","0.71069","MoKα","","0.0605","0.0501","","","0.1231","0.129","","","","","","1.032","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340485","8.2162","0.0005","6.0972","0.0003","17.4071","0.0012","90","","96.733","0.004","90","","866.01","0.09","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Rb Te9 Ti U3 -","- Rb Te9 Ti U3 -","- Rb2 Te18 Ti2 U6 -","2","0.5","","Ward, Matthew D.; Mesbah, Adel; Lee, Minseong; Malliakas, Christos D.; Choi, Eun Sang; Ibers, James A.","Synthesis and Characterization of Two Quaternary Uranium Tellurides, RbTiU3Te9 and CsTiU3Te9.","Inorganic chemistry","2014","53","15","7909","","10.1021/ic500599d","","","0.71073","MoKα","","0.0455","0.0307","","","0.0687","0.0912","","","","","","1.083","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340486","8.273","0.0002","6.1154","0.0002","17.4906","0.0005","90","","96.778","0.001","90","","878.71","0.04","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cs Te9 Ti U3 -","- Cs Te9 Ti U3 -","- Cs2 Te18 Ti2 U6 -","2","0.5","","Ward, Matthew D.; Mesbah, Adel; Lee, Minseong; Malliakas, Christos D.; Choi, Eun Sang; Ibers, James A.","Synthesis and Characterization of Two Quaternary Uranium Tellurides, RbTiU3Te9 and CsTiU3Te9.","Inorganic chemistry","2014","53","15","7909","","10.1021/ic500599d","","","0.71073","MoKα","","0.0368","0.0327","","","0.0806","0.0814","","","","","","1.744","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340487","14.535","0.007","14.754","0.007","16.061","0.008","89.062","0.007","85.034","0.007","68.457","0.007","3191","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H63 Cd Cl Eu N11 O13 -","- C60 H63 Cd Cl Eu N11 O13 -","- C120 H126 Cd2 Cl2 Eu2 N22 O26 -","2","1","","Zhang, Shu-Ran; Du, Dong-Ying; Qin, Jun-Sheng; Li, Shun-Li; He, Wen-Wen; Lan, Ya-Qian; Su, Zhong-Min","2D Cd(II)-Lanthanide(III) Heterometallic-Organic Frameworks Based on Metalloligands for Tunable Luminescence and Highly Selective, Sensitive, and Recyclable Detection of Nitrobenzene.","Inorganic chemistry","2014","53","15","8105","","10.1021/ic5011083","","","0.71069","MoKα","","0.1121","0.0632","","","0.1618","0.1872","","","","","","0.812","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340488","14.461","0.002","14.71","0.002","16.057","0.002","88.998","0.002","85.103","0.002","68.404","0.002","3163.9","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H58 Cd Cl Eu0.5 N11 O13 Tb0.5 -","- C60 H58 Cd Cl Eu0.63 N11 O13 Tb0.38 -","- C120 H116 Cd2 Cl2 Eu1.26 N22 O26 Tb0.76 -","2","1","","Zhang, Shu-Ran; Du, Dong-Ying; Qin, Jun-Sheng; Li, Shun-Li; He, Wen-Wen; Lan, Ya-Qian; Su, Zhong-Min","2D Cd(II)-Lanthanide(III) Heterometallic-Organic Frameworks Based on Metalloligands for Tunable Luminescence and Highly Selective, Sensitive, and Recyclable Detection of Nitrobenzene.","Inorganic chemistry","2014","53","15","8105","","10.1021/ic5011083","","","0.71069","MoKα","","0.0747","0.0472","","","0.1125","0.1251","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340489","14.458","0.0011","14.708","0.0011","15.993","0.0013","89.022","0.001","85.031","0.001","68.628","0.001","3154.7","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H63 Cd Cl Eu0.5 N11 O13 Tb0.5 -","- C60 H63 Cd Cl Eu0.5 N11 O13 Tb0.5 -","- C120 H126 Cd2 Cl2 Eu N22 O26 Tb -","2","1","","Zhang, Shu-Ran; Du, Dong-Ying; Qin, Jun-Sheng; Li, Shun-Li; He, Wen-Wen; Lan, Ya-Qian; Su, Zhong-Min","2D Cd(II)-Lanthanide(III) Heterometallic-Organic Frameworks Based on Metalloligands for Tunable Luminescence and Highly Selective, Sensitive, and Recyclable Detection of Nitrobenzene.","Inorganic chemistry","2014","53","15","8105","","10.1021/ic5011083","","","0.71069","MoKα","","0.084","0.0478","","","0.1252","0.1466","","","","","","0.753","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340490","14.446","0.0011","14.717","0.0011","16.05","0.0012","89.018","0.001","85.027","0.001","68.438","0.001","3161.1","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H58 Cd Cl Eu0.5 N11 O13 Tb0.5 -","- C60 H58 Cd Cl Eu0.38 N11 O13 Tb0.63 -","- C120 H116 Cd2 Cl2 Eu0.76 N22 O26 Tb1.26 -","2","1","","Zhang, Shu-Ran; Du, Dong-Ying; Qin, Jun-Sheng; Li, Shun-Li; He, Wen-Wen; Lan, Ya-Qian; Su, Zhong-Min","2D Cd(II)-Lanthanide(III) Heterometallic-Organic Frameworks Based on Metalloligands for Tunable Luminescence and Highly Selective, Sensitive, and Recyclable Detection of Nitrobenzene.","Inorganic chemistry","2014","53","15","8105","","10.1021/ic5011083","","","0.71069","MoKα","","0.0569","0.0408","","","0.1122","0.1188","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340491","14.443","0.0012","14.729","0.0012","16.02","0.0013","89.065","0.001","85.014","0.001","68.463","0.001","3157.6","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H58 Cd Cl N11 O13 Tb -","- C60 H58 Cd Cl N11 O13 Tb -","- C120 H116 Cd2 Cl2 N22 O26 Tb2 -","2","1","","Zhang, Shu-Ran; Du, Dong-Ying; Qin, Jun-Sheng; Li, Shun-Li; He, Wen-Wen; Lan, Ya-Qian; Su, Zhong-Min","2D Cd(II)-Lanthanide(III) Heterometallic-Organic Frameworks Based on Metalloligands for Tunable Luminescence and Highly Selective, Sensitive, and Recyclable Detection of Nitrobenzene.","Inorganic chemistry","2014","53","15","8105","","10.1021/ic5011083","","","0.71069","MoKα","","0.0536","0.0394","","","0.1049","0.1106","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340492","12.9335","0.0004","13.0948","0.0004","13.4186","0.0004","102.718","0.001","106.604","0.001","95.232","0.001","2095.34","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 N8 O8 P2 Ru S -","- C34 H30 N8 O7.95 P2 Ru S -","- C68 H60 N16 O15.9 P4 Ru2 S2 -","2","1","","Chowdhury, Bijit; Khatua, Snehadrinarayan; Dutta, Ranjan; Chakraborty, Sourav; Ghosh, Pradyut","Bis-Heteroleptic Ruthenium(II) Complex of a Triazole Ligand as a Selective Probe for Phosphates.","Inorganic chemistry","2014","53","15","8061","","10.1021/ic5010598","","","0.71073","MoKα","","0.0517","0.0478","","","0.134","0.1367","","","","","","1.087","","","","has coordinates,has disorder","179507","2020-10-21","18:00:00",""
"4340493","10.5675","0.0008","12.4531","0.0009","10.6929","0.0008","90","","92.773","0.001","90","","1405.52","0.18","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H27 Cl2 N5 O8 Pb -","- C27 H27 Cl2 N5 O8 Pb -","- C54 H54 Cl4 N10 O16 Pb2 -","2","1","","Zhang, Kun; Jin, Chao; Sun, Yuchen; Chang, Feifan; Huang, Wei","Base-Induced Self-Assembly for One-Dimensional Coordination Polymers via Chiral Pendant-Armed Schiff Base Mononuclear Pb(II) Macrocycles.","Inorganic chemistry","2014","53","15","7803","","10.1021/ic5008846","","","0.71073","MoKα","","0.0489","0.0357","","","0.0774","0.0823","","","","","","1.004","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340494","26.095","0.003","7.4603","0.0007","28.384","0.003","90","","111.599","0.002","90","","5137.7","0.9","296","2","291","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C54 H50 Cl4 N6 O4 Pb2 -","- C54 H50 Cl4 N6 O4 Pb2 -","- C216 H200 Cl16 N24 O16 Pb8 -","4","1","","Zhang, Kun; Jin, Chao; Sun, Yuchen; Chang, Feifan; Huang, Wei","Base-Induced Self-Assembly for One-Dimensional Coordination Polymers via Chiral Pendant-Armed Schiff Base Mononuclear Pb(II) Macrocycles.","Inorganic chemistry","2014","53","15","7803","","10.1021/ic5008846","","","0.71073","MoKα","","0.0691","0.0627","","","0.1692","0.1749","","","","","","1.198","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340503","10.7214","0.0012","15.0961","0.0016","19.566","0.002","90","","101.36","0.004","90","","3104.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H96 N8 O6 -","- C66 H96.08 N8 O6 -","- C132 H192.16 N16 O12 -","2","0.5","","Farràs, Pau; Escudero-Adán, Eduardo C; Viñas, Clara; Teixidor, Francesc","Controlling the pirouetting motion in rotaxanes by counterion exchange.","Inorganic chemistry","2014","53","16","8654","8661","10.1021/ic501246e","","","0.71073","MoKα","","0.1474","0.0869","","","0.2113","0.2513","","","","","","1.069","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340504","10.752","0.0004","20.1962","0.0005","42.5463","0.001","90","","92.358","0.002","90","","9231.1","0.5","105.5","1","105.5","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 N4 Ni2 O9 -","- C40 H58 N4 Ni2 O9 -","- C320 H464 N32 Ni16 O72 -","8","2","","Walsh, James P. S.; Sproules, Stephen; Chilton, Nicholas F.; Barra, Anne-Laure; Timco, Grigore A.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.","On the possibility of magneto-structural correlations: detailed studies of dinickel carboxylate complexes.","Inorganic chemistry","2014","53","16","8464","8472","10.1021/ic501036h","","","0.7107","MoKα","","0.0933","0.0598","","","0.1293","0.1496","","","","","","1.05","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340505","24.2188","0.0008","19.6774","0.0009","10.4136","0.0005","90","","98.088","0.004","90","","4913.4","0.4","99.95","0.1","99.95","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H72 N2 Ni2 O13 -","- C42 H72 N2 Ni2 O13 -","- C168 H288 N8 Ni8 O52 -","4","0.5","","Walsh, James P. S.; Sproules, Stephen; Chilton, Nicholas F.; Barra, Anne-Laure; Timco, Grigore A.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.","On the possibility of magneto-structural correlations: detailed studies of dinickel carboxylate complexes.","Inorganic chemistry","2014","53","16","8464","8472","10.1021/ic501036h","","","0.7107","MoKα","","0.063","0.0489","","","0.1222","0.1332","","","","","","1.05","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340506","20.2042","0.001","10.7563","0.0006","23.1759","0.0014","90","","90","","90","","5036.6","0.5","151","20","151","20","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H69 N5 Ni2 O9 -","- C46 H69 N5 Ni2 O9 -","- C184 H276 N20 Ni8 O36 -","4","1","","Walsh, James P. S.; Sproules, Stephen; Chilton, Nicholas F.; Barra, Anne-Laure; Timco, Grigore A.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.","On the possibility of magneto-structural correlations: detailed studies of dinickel carboxylate complexes.","Inorganic chemistry","2014","53","16","8464","8472","10.1021/ic501036h","","","0.7107","MoKα","","0.0981","0.0569","","","0.098","0.1264","","","","","","1.039","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340507","12.0516","0.0006","19.9828","0.0008","22.9732","0.0012","90","","103.79","0.005","90","","5373","0.5","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H78 Mg2 O17 -","- C40 H78 Mg2 O17 -","- C160 H312 Mg8 O68 -","4","1","","Walsh, James P. S.; Sproules, Stephen; Chilton, Nicholas F.; Barra, Anne-Laure; Timco, Grigore A.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.","On the possibility of magneto-structural correlations: detailed studies of dinickel carboxylate complexes.","Inorganic chemistry","2014","53","16","8464","8472","10.1021/ic501036h","","","0.7107","MoKα","","0.1133","0.0643","","","0.1415","0.1667","","","","","","1.029","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340508","11.3994","0.0003","22.7376","0.0005","26.6703","0.0007","90","","96.499","0.002","90","","6868.4","0.3","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H63 Cu11 I17 N6 -","- C29 H63 Cu11 I17 N6 -","- C116 H252 Cu44 I68 N24 -","4","1","","Li, Shi-Li; Zhang, Xian-Ming","Cu3I7 Trimer and Cu4I8 Tetramer Based Cuprous Iodide Polymorphs for Efficient Photocatalysis and Luminescent Sensing: Unveiling Possible Hierarchical Assembly Mechanism.","Inorganic chemistry","2014","53","16","8376","8383","10.1021/ic500822w","","","0.71073","MoKα","","0.0581","0.0397","","","0.0822","0.0892","","","","","","1.057","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340509","11.328","0.0007","15.3667","0.0008","19.9816","0.0012","78.509","0.005","85.582","0.005","84.045","0.004","3384.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H63 Cu11 I17 N6 -","- C29 H63 Cu11 I17 N6 -","- C58 H126 Cu22 I34 N12 -","2","1","","Li, Shi-Li; Zhang, Xian-Ming","Cu3I7 Trimer and Cu4I8 Tetramer Based Cuprous Iodide Polymorphs for Efficient Photocatalysis and Luminescent Sensing: Unveiling Possible Hierarchical Assembly Mechanism.","Inorganic chemistry","2014","53","16","8376","8383","10.1021/ic500822w","","","0.71073","MoKα","","0.0661","0.0474","","","0.0926","0.1011","","","","","","1.046","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340510","4.234","0.002","4.234","0.002","7.198","0.004","90","","90","","120","","111.75","0.1","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","europium manganese zinc arsenide (1/0.5/1.5/2)","europium manganese zinc arsenide (1/0.5/1.5/2)","","- As2 Eu Mn0.44 Zn1.56 -","- As2 Eu Mn0.44 Zn1.56 -","- As2 Eu Mn0.44 Zn1.56 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0399","0.0255","","","0.0394","0.0429","","","","","","1.162","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340511","4.109","0.003","4.109","0.003","6.703","0.005","90","","90","","120","","98.01","0.12","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","gadolinium manganese zinc arsenide (0.5/0.4/1.6/2)","gadolinium manganese zinc arsenide (0.5/0.4/1.6/2)","","- As2 Gd0.5 Mn0.4 Zn1.6 -","- As2 Gd0.517 Mn0.39 Zn1.61 -","- As2 Gd0.517 Mn0.39 Zn1.61 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0529","0.034","","","0.0531","0.0598","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340512","4.1135","0.0004","4.1135","0.0004","6.7246","0.0007","90","","90","","120","","98.542","0.017","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","terbium manganese zinc arsenide (0.5/0.4/1.6/2)","terbium manganese zinc arsenide (0.5/0.4/1.6/2)","","- As2 Mn0.4 Tb0.5 Zn1.6 -","- As2 Mn0.418 Tb0.516 Zn1.582 -","- As2 Mn0.418 Tb0.516 Zn1.582 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.028","0.0248","","","0.0486","0.05","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340513","4.1023","0.0009","4.1023","0.0009","6.7197","0.0016","90","","90","","120","","97.93","0.04","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","dysprosium manganese zinc arsenide (0.5/0.4/1.6/2)","dysprosium manganese zinc arsenide (0.5/0.4/1.6/2)","","- As2 Dy0.53 Mn0.42 Zn1.58 -","- As2 Dy0.526 Mn0.42 Zn1.58 -","- As2 Dy0.526 Mn0.42 Zn1.58 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0367","0.0307","","","0.0599","0.0618","","","","","","1.094","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340514","4.091","0.003","4.091","0.003","6.7","0.011","90","","90","","120","","97.11","0.19","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","holmium manganese zinc arsenide (0.5/0.4/1.6/2)","holmium manganese zinc arsenide (0.5/0.4/1.6/2)","","- As2 Ho0.53 Mn0.39 Zn1.61 -","- As2 Ho0.526 Mn0.388 Zn1.612 -","- As2 Ho0.526 Mn0.388 Zn1.612 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0482","0.0318","","","0.0675","0.0724","","","","","","1.094","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340515","4.103","0.005","4.103","0.005","6.722","0.007","90","","90","","120","","98","0.2","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","erbium manganese zinc arsenide (0.5/0.4/1.6/2)","erbium manganese zinc arsenide (0.5/0.4/1.6/2)","","- As2 Er0.5 Mn0.4 Zn1.6 -","- As2 Er0.511 Mn0.38 Zn1.62 -","- As2 Er0.511 Mn0.38 Zn1.62 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0403","0.0307","","","0.0427","0.0447","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340516","4.098","0.0018","4.098","0.0018","6.664","0.003","90","","90","","120","","96.92","0.07","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","thulium manganese zinc arsenide (0.4/0.2/1.8/2)","thulium manganese zinc arsenide (0.4/0.2/1.8/2)","","- As2 Mn0.21 Tm0.43 Zn1.79 -","- As2 Mn0.21 Tm0.434 Zn1.79 -","- As2 Mn0.21 Tm0.434 Zn1.79 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0267","0.0212","","","0.0439","0.0452","","","","","","1.109","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340517","4.1682","0.0006","4.1682","0.0006","6.9478","0.001","90","","90","","120","","104.54","0.03","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","ytterbium manganese zinc arsenide (0.9/0.3/1.7/2)","ytterbium manganese zinc arsenide (0.9/0.3/1.7/2)","","- As2 Mn0.3 Yb0.95 Zn1.7 -","- As2 Mn0.32 Yb0.945 Zn1.68 -","- As2 Mn0.32 Yb0.945 Zn1.68 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0208","0.0181","","","0.0392","0.04","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340518","4.0932","0.0009","4.0932","0.0009","6.6433","0.0014","90","","90","","120","","96.39","0.04","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","lutetium manganese zinc arsenide (0.4/0.2/1.8/2)","lutetium manganese zinc arsenide (0.4/0.2/1.8/2)","","- As2 Lu0.4 Mn0.2 Zn1.8 -","- As2 Lu0.419 Mn0.196 Zn1.804 -","- As2 Lu0.419 Mn0.196 Zn1.804 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0249","0.0213","","","0.0487","0.0502","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340519","4.159","0.002","4.159","0.002","13.639","0.007","90","","90","","120","","204.31","0.17","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","lanthanum manganese zinc arsenide (1.3/0.9/3.1/4)","lanthanum manganese zinc arsenide (1.3/0.9/3.1/4)","","- As4 La1.23 Mn0.93 Zn3.07 -","- As4 La1.246 Mn0.932 Zn3.068 -","- As4 La1.246 Mn0.932 Zn3.068 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0594","0.0519","","","0.1109","0.1127","","","","","","1.147","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340520","4.156","0.005","4.156","0.005","13.569","0.016","90","","90","","120","","203","0.4","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","cerium manganese zinc arsenide (1.3/0.8/3.2/4)","cerium manganese zinc arsenide (1.3/0.8/3.2/4)","","- As4 Ce1.3 Mn0.83 Zn3.17 -","- As4 Ce1.3 Mn0.828 Zn3.172 -","- As4 Ce1.3 Mn0.828 Zn3.172 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0495","0.0445","","","0.123","0.125","","","","","","1.192","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340521","4.1533","0.0004","4.1533","0.0004","13.5629","0.0013","90","","90","","120","","202.61","0.03","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","praseodymium manganese zinc arsenide (1.3/0.9/3.1/4)","praseodymium manganese zinc arsenide (1.3/0.9/3.1/4)","","- As4 Mn0.95 Pr1.25 Zn3.05 -","- As4 Mn0.954 Pr1.253 Zn3.046 -","- As4 Mn0.954 Pr1.253 Zn3.046 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0393","0.0328","","","0.0934","0.0971","","","","","","1.164","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340522","4.1283","0.0017","4.1283","0.0017","13.513","0.006","90","","90","","120","","199.45","0.15","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","neodymium manganese zinc arsenide (1.3/1.0/3.0/4)","neodymium manganese zinc arsenide (1.3/1.0/3.0/4)","","- As4 Mn0.95 Nd1.25 Zn3.05 -","- As4 Mn0.952 Nd1.249 Zn3.048 -","- As4 Mn0.952 Nd1.249 Zn3.048 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0755","0.0667","","","0.1398","0.1436","","","","","","1.236","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340523","4.124","0.0019","4.124","0.0019","13.507","0.006","90","","90","","120","","198.94","0.16","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","samarium manganese zinc arsenide (1.2/0.9/3.1/4)","samarium manganese zinc arsenide (1.2/0.9/3.1/4)","","- As4 Mn0.87 Sm1.24 Zn3.13 -","- As4 Mn0.872 Sm1.24 Zn3.128 -","- As4 Mn0.872 Sm1.24 Zn3.128 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.1008","0.0511","","","0.1329","0.153","","","","","","1.062","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340524","4.118","0.0014","4.118","0.0014","13.5","0.005","90","","90","","120","","198.26","0.12","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","gadolinium manganese zinc arsenide (1.2/0.9/3.1/4)","gadolinium manganese zinc arsenide (1.2/0.9/3.1/4)","","- As4 Gd1.24 Mn0.93 Zn3.07 -","- As4 Gd1.242 Mn0.936 Zn3.066 -","- As4 Gd1.242 Mn0.936 Zn3.066 -","1","0.0833333","","Lin, Xinsong; Tabassum, Danisa; Rudyk, Brent W.; Mar, Arthur","Manganese-Substituted Rare-Earth Zinc Arsenides RE1-yMnxZn2-xAs2 (RE = Eu-Lu) and RE2-yMnxZn4-xAs4 (RE = La-Nd, Sm, Gd).","Inorganic chemistry","2014","53","16","8431","8441","10.1021/ic501053v","","","0.71073","MoKα","","0.0642","0.0475","","","0.1278","0.1354","","","","","","1.223","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340525","13.096","0.003","13.828","0.003","21.647","0.004","98.08","0.03","101.93","0.02","113.53","0.03","3406","1.7","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H63 Cl Cu2 N2 O P4 S -","- C76 H63 Cl Cu2 N2 O P4 S -","- C152 H126 Cl2 Cu4 N4 O2 P8 S2 -","2","1","","Charalampou, D. C.; Kourkoumelis, N.; Karanestora, S.; Hadjiarapoglou, L. P.; Dokorou, V.; Skoulika, S.; Owczarzak, A.; Kubicki, M.; Hadjikakou, S. K.","Mono- and binuclear copper(i) complexes of thionucleotide analogues and their catalytic activity on the synthesis of dihydrofurans.","Inorganic chemistry","2014","53","16","8322","8333","10.1021/ic500727z","","","0.7107","MoKα","","0.1247","0.057","","","0.1209","0.1427","","","","","","0.924","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340526","14.753","0.003","10.024","0.002","24.711","0.003","90","","91.78","0.02","90","","3652.6","1.1","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H38 Cl Cu N2 O0.5 P2 S -","- C41.5 H38 Cl Cu N2 O0.5 P2 S -","- C166 H152 Cl4 Cu4 N8 O2 P8 S4 -","4","1","","Charalampou, D. C.; Kourkoumelis, N.; Karanestora, S.; Hadjiarapoglou, L. P.; Dokorou, V.; Skoulika, S.; Owczarzak, A.; Kubicki, M.; Hadjikakou, S. K.","Mono- and binuclear copper(i) complexes of thionucleotide analogues and their catalytic activity on the synthesis of dihydrofurans.","Inorganic chemistry","2014","53","16","8322","8333","10.1021/ic500727z","","","0.7107","MoKα","","0.0644","0.0435","","","0.0891","0.0953","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340527","13.243","0.003","13.812","0.003","21.616","0.005","97.44","0.02","101.59","0.03","114.01","0.03","3438.1","1.8","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C77 H65 Cl Cu2 N2 O P4 S -","- C77 H65 Cl Cu2 N2 O P4 S -","- C154 H130 Cl2 Cu4 N4 O2 P8 S2 -","2","1","","Charalampou, D. C.; Kourkoumelis, N.; Karanestora, S.; Hadjiarapoglou, L. P.; Dokorou, V.; Skoulika, S.; Owczarzak, A.; Kubicki, M.; Hadjikakou, S. K.","Mono- and binuclear copper(i) complexes of thionucleotide analogues and their catalytic activity on the synthesis of dihydrofurans.","Inorganic chemistry","2014","53","16","8322","8333","10.1021/ic500727z","","","1.54178","CuKα","","0.0589","0.0439","","","0.1243","0.1349","","","","","","1.113","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340528","24.7689","0.0013","10.8836","0.0007","29.4008","0.0017","90","","95.273","0.004","90","","7892.2","0.8","180","2","180","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Cu2 I2 N5 O2 P4 S2 -","- C84 H72 Cu2 I2 N5 O2 P4 S2 -","- C336 H288 Cu8 I8 N20 O8 P16 S8 -","4","0.5","","Charalampou, D. C.; Kourkoumelis, N.; Karanestora, S.; Hadjiarapoglou, L. P.; Dokorou, V.; Skoulika, S.; Owczarzak, A.; Kubicki, M.; Hadjikakou, S. K.","Mono- and binuclear copper(i) complexes of thionucleotide analogues and their catalytic activity on the synthesis of dihydrofurans.","Inorganic chemistry","2014","53","16","8322","8333","10.1021/ic500727z","","","0.71073","MoKα","","0.0398","0.0287","","","0.0701","0.0725","","","","","","1.044","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340529","10.73","0.002","13.968","0.002","26.324","0.005","87.73","0.02","82.98","0.03","75.88","0.02","3797.3","1.2","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H36 Br Cu N2 O P2 S -","- C41 H36 Br Cu N2 O P2 S -","- C164 H144 Br4 Cu4 N8 O4 P8 S4 -","4","2","","Charalampou, D. C.; Kourkoumelis, N.; Karanestora, S.; Hadjiarapoglou, L. P.; Dokorou, V.; Skoulika, S.; Owczarzak, A.; Kubicki, M.; Hadjikakou, S. K.","Mono- and binuclear copper(i) complexes of thionucleotide analogues and their catalytic activity on the synthesis of dihydrofurans.","Inorganic chemistry","2014","53","16","8322","8333","10.1021/ic500727z","","","0.7107","MoKα","","0.1037","0.0482","","","0.092","0.1143","","","","","","1.013","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340530","24.766","0.004","10.94","0.002","54.536","0.006","90","","91.85","0.02","90","","14768","4","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 Br Cu N2 O P2 S -","- C41 H36 Br Cu N2 O P2 S -","- C656 H576 Br16 Cu16 N32 O16 P32 S16 -","16","2","","Charalampou, D. C.; Kourkoumelis, N.; Karanestora, S.; Hadjiarapoglou, L. P.; Dokorou, V.; Skoulika, S.; Owczarzak, A.; Kubicki, M.; Hadjikakou, S. K.","Mono- and binuclear copper(i) complexes of thionucleotide analogues and their catalytic activity on the synthesis of dihydrofurans.","Inorganic chemistry","2014","53","16","8322","8333","10.1021/ic500727z","","","0.7107","MoKα","","0.1817","0.1567","","","0.2868","0.2909","","","","","","2.462","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340531","5.6607","0.0003","7.2774","0.0004","7.5599","0.0005","90","","90","","90","","311.43","0.03","100","2","100","","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","zinc monoarsenide","","","- As Zn -","- As Zn -","- As8 Zn8 -","8","1","","Fischer, Andreas; Eklöf, Daniel; Benson, Daryn E.; Wu, Yang; Scheidt, Ernst-Wilhelm; Scherer, Wolfgang; Häussermann, Ulrich","Synthesis, Structure, and Properties of the Electron-Poor II-V Semiconductor ZnAs.","Inorganic chemistry","2014","53","16","8691","8699","10.1021/ic501308q","","x-ray","0.56087","AgKα","","0.0152","0.0152","","","0.0225","0.0225","","","","1.43","1.43","1.43","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340532","5.6731","0.0001","7.2754","0.0002","7.5572","0.0002","90","","90","","90","","311.916","0.013","300","2","300","","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","zinc monoarsenide","","","- As Zn -","- As Zn -","- As8 Zn8 -","8","1","","Fischer, Andreas; Eklöf, Daniel; Benson, Daryn E.; Wu, Yang; Scheidt, Ernst-Wilhelm; Scherer, Wolfgang; Häussermann, Ulrich","Synthesis, Structure, and Properties of the Electron-Poor II-V Semiconductor ZnAs.","Inorganic chemistry","2014","53","16","8691","8699","10.1021/ic501308q","","x-ray","0.56087","AgKα","","0.0158","0.0158","","","0.0218","0.0218","","","","1.36","1.36","1.36","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340533","22.3666","0.0011","26.1251","0.0012","22.8683","0.0012","90","","117.368","0.007","90","","11867","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 Eu F12 N O8 -","- C56 H60 Eu F12 N O8 -","- C448 H480 Eu8 F96 N8 O64 -","8","2","","Biju, Silvanose; Freire, Ricardo O.; Eom, Yu Kyung; Scopelliti, Rosario; Bünzli, Jean-Claude G; Kim, Hwan Kyu","A Eu(III) Tetrakis(β-diketonate) Dimeric Complex: Photophysical Properties, Structural Elucidation by Sparkle/AM1 Calculations, and Doping into PMMA Films and Nanowires.","Inorganic chemistry","2014","53","16","8407","8417","10.1021/ic500966z","","","1.54178","CuKα","","0.1646","0.0986","","","0.2678","0.3498","","","","","","1.014","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340534","14.2187","0.0009","14.5385","0.0011","18.28","0.0012","104.225","0.003","102.416","0.003","103.392","0.003","3412","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H76 F6 N8 O8 Ru S2 -","- C66 H76 F6 N8 O8 Ru S2 -","- C132 H152 F12 N16 O16 Ru2 S4 -","2","1","","Chou, Chun-Cheng; Hu, Fa-Chun; Wu, Kuan-Lin; Duan, Tainan; Chi, Yun; Liu, Shih-Hung; Lee, Gene-Hsiang; Chou, Pi-Tai","4,4',5,5'-Tetracarboxy-2,2'-bipyridine Ru(II) Sensitizers for Dye-Sensitized Solar Cells.","Inorganic chemistry","2014","53","16","8593","8599","10.1021/ic501178f","","","0.71073","MoKα","","0.1291","0.0666","","","0.1536","0.1873","","","","","","1.013","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340535","12.3383","0.0002","12.3383","0.0002","8.1137","0.0005","90","","90","","90","","1235.18","0.08","290","","290","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C13 H25 N O14 U2 -","- C13 H25 N O14 U2 -","- C26 H50 N2 O28 U4 -","2","0.25","","Zhu, Qianqian; Shang, Ran; Chen, Sa; Liu, Chunli; Wang, Zheming; Gao, Song","[(C2H5)4N][U2O4(HCOO)5], an Ammonium Uranyl Formate Framework Showing Para- to Ferro-Electric Transition: Synthesis, Structures, and Properties.","Inorganic chemistry","2014","53","16","8708","8716","10.1021/ic501336x","","","0.71073","MoKα","","0.0461","0.0378","","","0.0815","0.0872","","","","","","1.056","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340536","12.3262","0.0002","12.3262","0.0002","8.0856","0.0005","90","","90","","90","","1228.49","0.08","250","","250","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C13 H25 N O14 U2 -","- C13 H25 N O14 U2 -","- C26 H50 N2 O28 U4 -","2","0.25","","Zhu, Qianqian; Shang, Ran; Chen, Sa; Liu, Chunli; Wang, Zheming; Gao, Song","[(C2H5)4N][U2O4(HCOO)5], an Ammonium Uranyl Formate Framework Showing Para- to Ferro-Electric Transition: Synthesis, Structures, and Properties.","Inorganic chemistry","2014","53","16","8708","8716","10.1021/ic501336x","","","0.71073","MoKα","","0.0417","0.0342","","","0.0772","0.0824","","","","","","1.081","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340537","11.5792","0.0011","12.8431","0.0009","8.6056","0.0007","90","","107.657","0.009","90","","1219.47","0.19","180","","180","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N O14 U2 -","- C13 H25 N O14 U2 -","- C26 H50 N2 O28 U4 -","2","1","","Zhu, Qianqian; Shang, Ran; Chen, Sa; Liu, Chunli; Wang, Zheming; Gao, Song","[(C2H5)4N][U2O4(HCOO)5], an Ammonium Uranyl Formate Framework Showing Para- to Ferro-Electric Transition: Synthesis, Structures, and Properties.","Inorganic chemistry","2014","53","16","8708","8716","10.1021/ic501336x","","","0.71073","MoKα","","0.0838","0.0744","","","0.1687","0.1768","","","","","","1.034","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340538","11.3605","0.0019","11.7947","0.0019","14.008","0.002","90","","105.165","0.002","90","","1811.6","0.5","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cl4 Cu2 N6 O2 -","- C30 H36 Cl4 Cu2 N6 -","- C60 H72 Cl8 Cu4 N12 -","2","0.5","","Tse, Edmund C. M.; Schilter, David; Gray, Danielle L.; Rauchfuss, Thomas B.; Gewirth, Andrew A.","Multicopper models for the laccase active site: effect of nuclearity on electrocatalytic oxygen reduction.","Inorganic chemistry","2014","53","16","8505","8516","10.1021/ic501080c","","","0.71073","MoKα","","0.0412","0.0358","","","0.1028","0.1064","","","","","","1.072","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340539","9.8961","0.0008","16.7157","0.0013","16.8849","0.0013","62.202","0.001","87.664","0.001","73.505","0.001","2355.2","0.3","168","2","168","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H103 B4 Cu4 F16 N21 O4 -","- C60 H76 B4 Cu4 F16 N12 O4 -","- C60 H76 B4 Cu4 F16 N12 O4 -","1","0.5","","Tse, Edmund C. M.; Schilter, David; Gray, Danielle L.; Rauchfuss, Thomas B.; Gewirth, Andrew A.","Multicopper models for the laccase active site: effect of nuclearity on electrocatalytic oxygen reduction.","Inorganic chemistry","2014","53","16","8505","8516","10.1021/ic501080c","","","0.71073","MoKα","","0.0586","0.0431","","","0.1201","0.1257","","","","","","1.068","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340540","13.2421","0.0008","19.247","0.0011","19.638","0.0011","100.379","0.0001","98.995","0.0001","90.907","0.0001","4857.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H48 Cl2 F6 P5 W -","- C52 H48 Cl2 F6 P5 W -","- C208 H192 Cl8 F24 P20 W4 -","4","2","","Jayarathne, Upul; Chandrasekaran, Perumalreddy; Greene, Angelique F.; Mague, Joel T.; DeBeer, Serena; Lancaster, Kyle M.; Sproules, Stephen; Donahue, James P.","X-ray Absorption Spectroscopy Systematics at the Tungsten L-Edge.","Inorganic chemistry","2014","53","16","8230","8241","10.1021/ic500256a","","","0.71073","MoKα","","0.0668","0.0453","","","0.0986","0.1121","","","","","","1.055","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340541","6.8375","0.0004","11.1829","0.0006","11.8409","0.0006","105.1","0.001","92.924","0.001","90.392","0.001","872.8","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Tris(η^4^-o-phenylenedimethylene)tungsten(VI)","","- C24 H24 W -","- C24 H24 W -","- C48 H48 W2 -","2","1","","Jayarathne, Upul; Chandrasekaran, Perumalreddy; Greene, Angelique F.; Mague, Joel T.; DeBeer, Serena; Lancaster, Kyle M.; Sproules, Stephen; Donahue, James P.","X-ray Absorption Spectroscopy Systematics at the Tungsten L-Edge.","Inorganic chemistry","2014","53","16","8230","8241","10.1021/ic500256a","","","0.71073","MoKα","","0.0159","0.0147","","","0.0332","0.0337","","","","","","1.058","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340542","14.366","0.005","15.08","0.004","15.778","0.005","90","","114.186","0.008","90","","3118.1","1.7","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 Cl Mo O5 P2 -","- C32 H35 Cl Mo O5 P2 -","- C128 H140 Cl4 Mo4 O20 P8 -","4","1","","Ray, Matthew J.; Bühl, Michael; Taylor, Laurence J.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Synthetic and Structural Study of the Coordination Chemistry of a peri-Backbone-Supported Phosphino-Phosphonium Salt.","Inorganic chemistry","2014","53","16","8538","8547","10.1021/ic501142v","","","0.71075","MoKα","","","0.0606","","","","0.1389","","","","","","0.965","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340543","9.551","0.002","15.931","0.004","16.866","0.005","90","","100.242","0.007","90","","2525.4","1.1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl3 P2 Pt -","- C24 H27 Cl3 P2 Pt -","- C96 H108 Cl12 P8 Pt4 -","4","1","","Ray, Matthew J.; Bühl, Michael; Taylor, Laurence J.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Synthetic and Structural Study of the Coordination Chemistry of a peri-Backbone-Supported Phosphino-Phosphonium Salt.","Inorganic chemistry","2014","53","16","8538","8547","10.1021/ic501142v","","","0.71075","MoKα","","","0.0577","","","","0.2741","","","","","","1.203","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340544","8.54","0.001","12.7016","0.0014","15.366","0.002","102.196","0.008","101.379","0.007","106.672","0.008","1500.3","0.3","125","","125","","","","","","","","","8","P -1","-P 1","2","","","","- C52 H58 Cl8 F6 O6 P4 Pt2 S2 -","- C52 H58 Cl8 F6 O6 P4 Pt2 S2 -","- C52 H58 Cl8 F6 O6 P4 Pt2 S2 -","1","0.5","","Ray, Matthew J.; Bühl, Michael; Taylor, Laurence J.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Synthetic and Structural Study of the Coordination Chemistry of a peri-Backbone-Supported Phosphino-Phosphonium Salt.","Inorganic chemistry","2014","53","16","8538","8547","10.1021/ic501142v","","","0.71075","MoKα","","","0.053","","","","0.1431","","","","","","1.056","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340545","8.6966","0.0007","12.2811","0.0011","12.971","0.0011","90.806","0.007","103.38","0.008","109.196","0.008","1266.7","0.2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H58 Cl6 P4 Pd2 -","- C50 H58 Cl6 P4 Pd2 -","- C50 H58 Cl6 P4 Pd2 -","1","0.5","","Ray, Matthew J.; Bühl, Michael; Taylor, Laurence J.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Synthetic and Structural Study of the Coordination Chemistry of a peri-Backbone-Supported Phosphino-Phosphonium Salt.","Inorganic chemistry","2014","53","16","8538","8547","10.1021/ic501142v","","","0.71075","MoKα","","","0.0529","","","","0.1555","","","","","","0.923","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340546","9.6554","0.0011","10.9846","0.0013","13.1649","0.0015","91.411","0.006","99.081","0.007","110.846","0.008","1283.6","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H37 B2 N P2 -","- C26 H37 B2 N P2 -","- C52 H74 B4 N2 P4 -","2","1","","Ray, Matthew J.; Bühl, Michael; Taylor, Laurence J.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr","Synthetic and Structural Study of the Coordination Chemistry of a peri-Backbone-Supported Phosphino-Phosphonium Salt.","Inorganic chemistry","2014","53","16","8538","8547","10.1021/ic501142v","","","0.71075","MoKα","","","0.0706","","","","0.1979","","","","","","1.056","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340547","12.0382","0.0017","12.4997","0.0017","17.915","0.003","83.989","0.01","74.65","0.01","85.987","0.009","2582.8","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","jjs LmFeN","","","- C50 H58 B Fe N7 O -","- C50 H58 B Fe N7 O -","- C100 H116 B2 Fe2 N14 O2 -","2","1","","Lee, Wei-Tsung; Juarez, Ruth A.; Scepaniak, Jeremiah J.; Muñoz, 3rd, Salvador B; Dickie, Diane A.; Wang, Haobin; Smith, Jeremy M.","Reaction of an Iron(IV) Nitrido Complex with Cyclohexadienes: Cycloaddition and Hydrogen-Atom Abstraction.","Inorganic chemistry","2014","53","16","8425","8430","10.1021/ic5010006","","","0.71073","MoKα","","0.1315","0.0634","","","0.1437","0.1728","","","","","","0.975","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340548","9.531","0.006","12.534","0.006","13.472","0.007","100.526","0.005","103.72","0.005","106.472","0.004","1444.3","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H35 Cl Cu2 N6 O9 -","- C22 H33 Cl Cu2 N6 O9 -","- C44 H66 Cl2 Cu4 N12 O18 -","2","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Ghosh, Bipinbihari; Sanyal, Ria; Chattopadhyay, Shyamal Kumar; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Relation between the Catalytic Efficiency of the Synthetic Analogues of Catechol Oxidase with Their Electrochemical Property in the Free State and Substrate-Bound State.","Inorganic chemistry","2014","53","16","8257","8269","10.1021/ic5005177","","","0.71073","MoKα","","0.1206","0.0757","","","0.1462","0.188","","","","","","1.09","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340549","15.907","0.003","11.836","0.002","17.008","0.003","90","","94.178","0.002","90","","3193.7","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 Cu2 N6 O9 -","- C26 H42 Cu2 N6 O9 -","- C104 H168 Cu8 N24 O36 -","4","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Ghosh, Bipinbihari; Sanyal, Ria; Chattopadhyay, Shyamal Kumar; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Relation between the Catalytic Efficiency of the Synthetic Analogues of Catechol Oxidase with Their Electrochemical Property in the Free State and Substrate-Bound State.","Inorganic chemistry","2014","53","16","8257","8269","10.1021/ic5005177","","","0.71073","MoKα","","0.0663","0.0519","","","0.1594","0.1753","","","","","","1.051","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340550","10.059","0.003","10.47","0.003","11.463","0.004","77.391","0.003","89.205","0.003","66.13","0.003","1073.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 Cu2 N8 O20 -","- C32 H50 Cu2 N8 O20 -","- C32 H50 Cu2 N8 O20 -","1","0.5","","Chakraborty, Prateeti; Adhikary, Jaydeep; Ghosh, Bipinbihari; Sanyal, Ria; Chattopadhyay, Shyamal Kumar; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Relation between the Catalytic Efficiency of the Synthetic Analogues of Catechol Oxidase with Their Electrochemical Property in the Free State and Substrate-Bound State.","Inorganic chemistry","2014","53","16","8257","8269","10.1021/ic5005177","","","0.71073","MoKα","","0.1093","0.0756","","","0.2114","0.2392","","","","","","1.039","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340551","8.1106","0.0003","12.3324","0.0005","13.7055","0.0005","90","","102.507","0.002","90","","1338.34","0.09","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H33 Cl Cu2 N6 O10 -","- C20 H33 Cl Cu2 N6 O10 -","- C40 H66 Cl2 Cu4 N12 O20 -","2","0.5","","Chakraborty, Prateeti; Adhikary, Jaydeep; Ghosh, Bipinbihari; Sanyal, Ria; Chattopadhyay, Shyamal Kumar; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Relation between the Catalytic Efficiency of the Synthetic Analogues of Catechol Oxidase with Their Electrochemical Property in the Free State and Substrate-Bound State.","Inorganic chemistry","2014","53","16","8257","8269","10.1021/ic5005177","","","0.71073","MoKα","","0.0679","0.0445","","","0.1126","0.1246","","","","","","1.015","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340552","24.82","0.003","24.82","0.003","10.501","0.002","90","","90","","90","","6469","1.7","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C48 H80 Cu4 N12 O18 -","- C48 H80 Cu4 N12 O18 -","- C192 H320 Cu16 N48 O72 -","4","0.5","","Chakraborty, Prateeti; Adhikary, Jaydeep; Ghosh, Bipinbihari; Sanyal, Ria; Chattopadhyay, Shyamal Kumar; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Relation between the Catalytic Efficiency of the Synthetic Analogues of Catechol Oxidase with Their Electrochemical Property in the Free State and Substrate-Bound State.","Inorganic chemistry","2014","53","16","8257","8269","10.1021/ic5005177","","","0.71073","MoKα","","0.0857","0.0703","","","0.2241","0.2372","","","","","","1.167","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340553","8.7183","0.0005","40.122","0.003","9.5437","0.0006","90","","90","","90","","3338.3","0.4","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H39 Cl Cu2 N10 O17 -","- C20 H39 Cl Cu2 N10 O17 -","- C80 H156 Cl4 Cu8 N40 O68 -","4","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Ghosh, Bipinbihari; Sanyal, Ria; Chattopadhyay, Shyamal Kumar; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Relation between the Catalytic Efficiency of the Synthetic Analogues of Catechol Oxidase with Their Electrochemical Property in the Free State and Substrate-Bound State.","Inorganic chemistry","2014","53","16","8257","8269","10.1021/ic5005177","","","0.71073","MoKα","","0.0759","0.0488","","","0.0967","0.1089","","","","","","0.951","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340554","14.1606","0.0013","3.9083","0.0003","16.1931","0.0013","90","","94.593","0.004","90","","893.31","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N6 O2 -","- C22 H16 N6 O2 -","- C44 H32 N12 O4 -","2","0.5","","Hurley, Nicholas J.; Hayward, John J.; Rawson, Jeremy M.; Murrie, Mark; Pilkington, Melanie","Exploring the Coordination Chemistry of 3,3'-Di(picolinamoyl)-2,2'-bipyridine: One Ligand, Multiple Nuclearities.","Inorganic chemistry","2014","53","16","8610","8623","10.1021/ic501224q","","","0.71073","MoKα","","0.0901","0.0719","","","0.1918","0.2122","","","","","","0.977","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340555","23.3442","0.0016","23.3442","0.0016","24.987","0.004","90","","90","","120","","11792","2","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C75 H86 Cl0 N18 Ni3 O19 -","- C75 H78 N18 Ni3 O19 -","- C450 H468 N108 Ni18 O114 -","6","0.166667","","Hurley, Nicholas J.; Hayward, John J.; Rawson, Jeremy M.; Murrie, Mark; Pilkington, Melanie","Exploring the Coordination Chemistry of 3,3'-Di(picolinamoyl)-2,2'-bipyridine: One Ligand, Multiple Nuclearities.","Inorganic chemistry","2014","53","16","8610","8623","10.1021/ic501224q","","","0.71073","MoKα","","0.1225","0.0868","","","0.2177","0.2841","","","","","","1.109","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340556","31.202","0.002","9.1176","0.0006","21.4203","0.0014","90","","123.052","0.003","90","","5107.7","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Cu2 N6 O7 -","- C26 H20 Cu2 N6 O7 -","- C208 H160 Cu16 N48 O56 -","8","1","","Hurley, Nicholas J.; Hayward, John J.; Rawson, Jeremy M.; Murrie, Mark; Pilkington, Melanie","Exploring the Coordination Chemistry of 3,3'-Di(picolinamoyl)-2,2'-bipyridine: One Ligand, Multiple Nuclearities.","Inorganic chemistry","2014","53","16","8610","8623","10.1021/ic501224q","","","0.71073","MoKα","","0.0388","0.0287","","","0.0736","0.0819","","","","","","1.043","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340557","23.843","0.003","23.843","0.003","20.481","0.007","90","","90","","120","","10083","4","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C66 H66 N18 Ni3 O18 -","- C66 H42 N18 Ni3 O18 -","- C396 H252 N108 Ni18 O108 -","6","0.166667","","Hurley, Nicholas J.; Hayward, John J.; Rawson, Jeremy M.; Murrie, Mark; Pilkington, Melanie","Exploring the Coordination Chemistry of 3,3'-Di(picolinamoyl)-2,2'-bipyridine: One Ligand, Multiple Nuclearities.","Inorganic chemistry","2014","53","16","8610","8623","10.1021/ic501224q","","","0.71073","MoKα","","0.0958","0.0605","","","0.1603","0.1971","","","","","","1.063","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340558","15.5819","0.0007","11.1657","0.0005","17.3224","0.0007","90","","105.021","0.001","90","","2910.8","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H51 N O Th -","- C30 H51 N O Th -","- C120 H204 N4 O4 Th4 -","4","1","","Langeslay, Ryan R.; Walensky, Justin R.; Ziller, Joseph W.; Evans, William J.","Reactivity of Organothorium Complexes with TEMPO.","Inorganic chemistry","2014","53","16","8455","8463","10.1021/ic501034b","","","0.71073","MoKα","","0.0176","0.0149","","","0.0363","0.0374","","","","","","1.023","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340559","15.5047","0.0007","11.0815","0.0005","17.4222","0.0008","90","","104.553","0.0005","90","","2897.4","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H48 Br N O Th -","- C29 H48 Br N O Th -","- C116 H192 Br4 N4 O4 Th4 -","4","1","","Langeslay, Ryan R.; Walensky, Justin R.; Ziller, Joseph W.; Evans, William J.","Reactivity of Organothorium Complexes with TEMPO.","Inorganic chemistry","2014","53","16","8455","8463","10.1021/ic501034b","","","0.71073","MoKα","","0.0195","0.0156","","","0.0367","0.0381","","","","","","1.021","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340560","15.284","0.002","10.5849","0.0014","14.2786","0.0019","90","","94.8172","0.0015","90","","2301.8","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Br2 N2 O2 Th -","- C18 H36 Br2 N2 O2 Th -","- C72 H144 Br8 N8 O8 Th4 -","4","1","","Langeslay, Ryan R.; Walensky, Justin R.; Ziller, Joseph W.; Evans, William J.","Reactivity of Organothorium Complexes with TEMPO.","Inorganic chemistry","2014","53","16","8455","8463","10.1021/ic501034b","","","0.71073","MoKα","","0.0262","0.0206","","","0.0464","0.0481","","","","","","1.041","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340561","13.3034","0.0007","17.3503","0.0009","33.9222","0.0017","90","","90","","90","","7829.9","0.7","88","2","88","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41.5 H70 N2 O2 Th -","- C41.5 H66 N2 O2 Th -","- C332 H528 N16 O16 Th8 -","8","1","","Langeslay, Ryan R.; Walensky, Justin R.; Ziller, Joseph W.; Evans, William J.","Reactivity of Organothorium Complexes with TEMPO.","Inorganic chemistry","2014","53","16","8455","8463","10.1021/ic501034b","","","0.71073","MoKα","","0.0475","0.033","","","0.0672","0.0716","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340562","16.7329","0.001","17.6514","0.0011","17.0773","0.0011","90","","109.925","0.0007","90","","4742","0.5","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Th -","- C26 H40 Th -","- C208 H320 Th8 -","8","2","","Langeslay, Ryan R.; Walensky, Justin R.; Ziller, Joseph W.; Evans, William J.","Reactivity of Organothorium Complexes with TEMPO.","Inorganic chemistry","2014","53","16","8455","8463","10.1021/ic501034b","","","0.71073","MoKα","","0.026","0.0205","","","0.0474","0.0493","","","","","","1.021","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340563","16.8295","0.001","10.0546","0.0006","19.3499","0.0011","90","","112.432","0.0006","90","","3026.5","0.3","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H53 N O Th -","- C32 H53 N O Th -","- C128 H212 N4 O4 Th4 -","4","1","","Langeslay, Ryan R.; Walensky, Justin R.; Ziller, Joseph W.; Evans, William J.","Reactivity of Organothorium Complexes with TEMPO.","Inorganic chemistry","2014","53","16","8455","8463","10.1021/ic501034b","","","0.71073","MoKα","","0.0199","0.0175","","","0.0409","0.0417","","","","","","1.045","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340564","18.7903","0.0013","18.0637","0.0013","18.8533","0.0013","90","","90","","90","","6399.2","0.8","88","2","88","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H57 N O Th -","- C36 H57 N O Th -","- C288 H456 N8 O8 Th8 -","8","1","","Langeslay, Ryan R.; Walensky, Justin R.; Ziller, Joseph W.; Evans, William J.","Reactivity of Organothorium Complexes with TEMPO.","Inorganic chemistry","2014","53","16","8455","8463","10.1021/ic501034b","","","0.71073","MoKα","","0.0274","0.0188","","","0.0379","0.0407","","","","","","1.023","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340565","11.7106","0.0006","16.4966","0.0009","19.9885","0.0011","90","","90","","90","","3861.5","0.4","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H72 N4 O4 Th -","- C36 H72 N4 O4 Th -","- C144 H288 N16 O16 Th4 -","4","1","","Langeslay, Ryan R.; Walensky, Justin R.; Ziller, Joseph W.; Evans, William J.","Reactivity of Organothorium Complexes with TEMPO.","Inorganic chemistry","2014","53","16","8455","8463","10.1021/ic501034b","","","0.71073","MoKα","","0.0208","0.0172","","","0.0373","0.0381","","","","","","1.046","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340566","23.3726","0.0016","22.786","0.0015","11.729","0.0008","90","","92.9552","0.0009","90","","6238.2","0.7","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 Br4 N O3 Th -","- C24 H42 Br4 N O3 Th -","- C192 H336 Br32 N8 O24 Th8 -","8","2","","Langeslay, Ryan R.; Walensky, Justin R.; Ziller, Joseph W.; Evans, William J.","Reactivity of Organothorium Complexes with TEMPO.","Inorganic chemistry","2014","53","16","8455","8463","10.1021/ic501034b","","","0.71073","MoKα","","0.0458","0.0318","","","0.065","0.0695","","","","","","1.015","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340567","26.3721","0.0009","17.9946","0.0006","19.9695","0.0007","90","","90","","90","","9476.6","0.6","175","2","175","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","tetrabutylammonium octakis(thiocyanato-N)uranate(IV)","","- C76 H150 N14 S8 U -","- C76 H150 N14 S8 U -","- C304 H600 N56 S32 U4 -","4","1","","Hashem, Emtithal; Platts, James A.; Hartl, František; Lorusso, Giulia; Evangelisti, Marco; Schulzke, Carola; Baker, Robert J.","Thiocyanate complexes of uranium in multiple oxidation States: a combined structural, magnetic, spectroscopic, spectroelectrochemical, and theoretical study.","Inorganic chemistry","2014","53","16","8624","8637","10.1021/ic501236j","","","1.54178","CuKα","","0.0375","0.0343","","","0.0821","0.0839","","","","","","1.031","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340568","19.669","0.004","17.792","0.004","23.396","0.005","90","","99.65","0.03","90","","8072","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 Cs48 N80 O40 S80 U16 -","- C80 Cs48 N80 O40 S80 U16 -","- C80 Cs48 N80 O40 S80 U16 -","1","0.125","","Hashem, Emtithal; Platts, James A.; Hartl, František; Lorusso, Giulia; Evangelisti, Marco; Schulzke, Carola; Baker, Robert J.","Thiocyanate complexes of uranium in multiple oxidation States: a combined structural, magnetic, spectroscopic, spectroelectrochemical, and theoretical study.","Inorganic chemistry","2014","53","16","8624","8637","10.1021/ic501236j","","","0.71073","MoKα","","0.0547","0.0531","","","0.1323","0.1333","","","","","","1.084","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340569","10.4546","0.0002","7.7335","0.0001","17.1879","0.0003","90","","95.591","0.001","90","","1383.04","0.04","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cl Fe P -","- C14 H18 Cl Fe P -","- C56 H72 Cl4 Fe4 P4 -","4","1","","Pandey, Souvik; Lönnecke, Peter; Hey-Hawkins, Evamarie","Cross-dehydrocoupling: A Novel Synthetic Route to P-B-P-B Chains.","Inorganic chemistry","2014","53","16","8242","8249","10.1021/ic500316w","","","0.71073","MoKα","","0.0371","0.0295","","","0.069","0.0725","","","","","","1.053","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340570","5.8656","0.0003","9.9311","0.0005","22.5948","0.0012","90","","90","","90","","1316.19","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Fe P -","- C14 H19 Fe P -","- C56 H76 Fe4 P4 -","4","1","","Pandey, Souvik; Lönnecke, Peter; Hey-Hawkins, Evamarie","Cross-dehydrocoupling: A Novel Synthetic Route to P-B-P-B Chains.","Inorganic chemistry","2014","53","16","8242","8249","10.1021/ic500316w","","","0.71073","MoKα","","0.0475","0.0387","","","0.0665","0.0697","","","","","","1.069","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340571","12.9033","0.0001","10.8595","0.0001","10.6321","0.0001","90","","90","","90","","1489.81","0.02","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H22 B Fe P -","- C14 H22 B Fe P -","- C56 H88 B4 Fe4 P4 -","4","0.5","","Pandey, Souvik; Lönnecke, Peter; Hey-Hawkins, Evamarie","Cross-dehydrocoupling: A Novel Synthetic Route to P-B-P-B Chains.","Inorganic chemistry","2014","53","16","8242","8249","10.1021/ic500316w","","","0.71073","MoKα","","0.0441","0.0424","","","0.1085","0.1097","","","","","","1.06","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340572","10.0633","0.0009","10.7443","0.0013","13.2586","0.0011","88.886","0.008","85.612","0.007","79.28","0.009","1404.4","0.2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H41.74 B2 Cl0.26 Fe2 P2 -","- C28 H41.741 B2 Cl0.259 Fe2 P2 -","- C56 H83.482 B4 Cl0.518 Fe4 P4 -","2","1","","Pandey, Souvik; Lönnecke, Peter; Hey-Hawkins, Evamarie","Cross-dehydrocoupling: A Novel Synthetic Route to P-B-P-B Chains.","Inorganic chemistry","2014","53","16","8242","8249","10.1021/ic500316w","","x-ray","0.71073","MoKα","","0.1039","0.0641","","","0.1408","0.1613","","","","","","1.028","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340573","10.3938","0.0002","11.4962","0.0003","13.2411","0.0004","71.94","0.003","77.611","0.002","68.516","0.002","1390.55","0.07","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H41.87 B2 Cl0.13 Fe2 P2 -","- C28 H41.871 B2 Cl0.129 Fe2 P2 -","- C56 H83.742 B4 Cl0.258 Fe4 P4 -","2","1","","Pandey, Souvik; Lönnecke, Peter; Hey-Hawkins, Evamarie","Cross-dehydrocoupling: A Novel Synthetic Route to P-B-P-B Chains.","Inorganic chemistry","2014","53","16","8242","8249","10.1021/ic500316w","","x-ray","0.71073","MoKα","","0.0406","0.031","","","0.0661","0.07","","","","","","1.028","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00",""
"4340574","14.0331","0.0005","10.5026","0.0003","20.1121","0.0006","90","","107.14","0.003","90","","2832.55","0.16","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H50 B2 Fe P2 -","- C26 H50 B2 Fe P2 -","- C104 H200 B8 Fe4 P8 -","4","1","","Pandey, Souvik; Lönnecke, Peter; Hey-Hawkins, Evamarie","Cross-dehydrocoupling: A Novel Synthetic Route to P-B-P-B Chains.","Inorganic chemistry","2014","53","16","8242","8249","10.1021/ic500316w","","x-ray","0.71073","MoKα","","0.0486","0.0371","","","0.0841","0.0899","","","","","","1.041","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340575","14.0519","0.0002","10.4858","0.0001","20.1162","0.0003","90","","107.245","0.001","90","","2830.78","0.07","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H49.96 B2 Cl0.04 Fe P2 -","- C26 H49.96 B2 Cl0.04 Fe P2 -","- C104 H199.84 B8 Cl0.16 Fe4 P8 -","4","1","","Pandey, Souvik; Lönnecke, Peter; Hey-Hawkins, Evamarie","Cross-dehydrocoupling: A Novel Synthetic Route to P-B-P-B Chains.","Inorganic chemistry","2014","53","16","8242","8249","10.1021/ic500316w","","x-ray","0.71073","MoKα","","0.0413","0.032","","","0.067","0.0705","","","","","","1.049","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340576","14.5112","0.0005","10.9711","0.0003","19.1066","0.0007","90","","110.5","0.004","90","","2849.21","0.18","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 B2 Fe P2 -","- C28 H46 B2 Fe P2 -","- C112 H184 B8 Fe4 P8 -","4","1","","Pandey, Souvik; Lönnecke, Peter; Hey-Hawkins, Evamarie","Cross-dehydrocoupling: A Novel Synthetic Route to P-B-P-B Chains.","Inorganic chemistry","2014","53","16","8242","8249","10.1021/ic500316w","","x-ray","0.71073","MoKα","","0.0533","0.0368","","","0.077","0.0836","","","","","","1.024","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340577","14.5332","0.0003","10.9678","0.0002","19.1413","0.0003","90","","110.332","0.002","90","","2860.97","0.1","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H45.91 B2 Cl0.09 Fe P2 -","- C28 H45.907 B2 Cl0.093 Fe P2 -","- C112 H183.628 B8 Cl0.372 Fe4 P8 -","4","1","","Pandey, Souvik; Lönnecke, Peter; Hey-Hawkins, Evamarie","Cross-dehydrocoupling: A Novel Synthetic Route to P-B-P-B Chains.","Inorganic chemistry","2014","53","16","8242","8249","10.1021/ic500316w","","x-ray","0.71073","MoKα","","0.0529","0.0378","","","0.0784","0.0844","","","","","","1.021","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340578","12.222","0.002","15.673","0.003","19.408","0.004","67.71","0.03","77.73","0.03","87.6","0.03","3358.2","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H67 Fe2 Li6 N24 O27.5 -","- C42 H67 Fe2 Li6 N24 O27.5 -","- C84 H134 Fe4 Li12 N48 O55 -","2","1","","Park, Ka Hyun; Lee, Kang Mun; Go, Min Jeong; Choi, Sung Ho; Park, Hyoung-Ryun; Kim, Youngjo; Lee, Junseong","New Class of Scorpionate: Tris(tetrazolyl)-Iron Complex and Its Different Coordination Modes for Alkali Metal Ions.","Inorganic chemistry","2014","53","16","8213","8220","10.1021/ic5002336","","","0.71073","synchrotron","","0.0489","0.0438","","","0.1457","0.1513","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340579","18.743","0.0003","10.7164","0.0002","15.8474","0.0002","90","","95.438","0.001","90","","3168.74","0.09","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C21 H31 Fe N12 Na3 O12.5 -","- C21 H31 Fe N12 Na3 O12.5 -","- C84 H124 Fe4 N48 Na12 O50 -","4","1","","Park, Ka Hyun; Lee, Kang Mun; Go, Min Jeong; Choi, Sung Ho; Park, Hyoung-Ryun; Kim, Youngjo; Lee, Junseong","New Class of Scorpionate: Tris(tetrazolyl)-Iron Complex and Its Different Coordination Modes for Alkali Metal Ions.","Inorganic chemistry","2014","53","16","8213","8220","10.1021/ic5002336","","","0.71073","MoKα","","0.0313","0.0308","","","0.0954","0.0958","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340580","18.2488","0.0008","10.8474","0.0005","30.2234","0.0014","90","","96.68","0.003","90","","5942.2","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 Fe K3 N12 O8 -","- C21 H22 Fe K3 N12 O8 -","- C168 H176 Fe8 K24 N96 O64 -","8","1","","Park, Ka Hyun; Lee, Kang Mun; Go, Min Jeong; Choi, Sung Ho; Park, Hyoung-Ryun; Kim, Youngjo; Lee, Junseong","New Class of Scorpionate: Tris(tetrazolyl)-Iron Complex and Its Different Coordination Modes for Alkali Metal Ions.","Inorganic chemistry","2014","53","16","8213","8220","10.1021/ic5002336","","","0.71073","MoKα","","0.14","0.0994","","","0.2628","0.3042","","","","","","1.024","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340581","15.4612","0.0004","15.4612","0.0004","22.1834","0.0007","90","","90","","120","","4592.5","0.2","100","2","100","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C60 H60 Fe2 K4 N30 O12 Zn -","- C60 H60 Fe2 K4.02 N30 O12 Zn -","- C120 H120 Fe4 K8.04 N60 O24 Zn2 -","2","0.166667","","Park, Ka Hyun; Lee, Kang Mun; Go, Min Jeong; Choi, Sung Ho; Park, Hyoung-Ryun; Kim, Youngjo; Lee, Junseong","New Class of Scorpionate: Tris(tetrazolyl)-Iron Complex and Its Different Coordination Modes for Alkali Metal Ions.","Inorganic chemistry","2014","53","16","8213","8220","10.1021/ic5002336","","","0.71073","MoKα","","0.1411","0.0853","","","0.2724","0.3083","","","","","","1.071","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340582","7.4923","0.0015","12.525","0.003","14.916","0.004","98.28","0.02","96.835","0.019","99.802","0.018","1350.1","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","[PPh4]2[Ni(Et-thiazdt)2]","","","- C58 H50 N2 Ni P2 S8 -","- C58 H50 N2 Ni P2 S8 -","- C58 H50 N2 Ni P2 S8 -","1","0.5","","Filatre-Furcate, Agathe; Bellec, Nathalie; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc; Vacher, Antoine; Lorcy, Dominique","Radical or not radical: compared structures of metal (m = ni, au) bis-dithiolene complexes with a thiazole backbone.","Inorganic chemistry","2014","53","16","8681","8690","10.1021/ic501293z","","","0.71073","MoKα","","0.0613","0.0385","","","0.0805","0.0907","","","","","","1.071","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340583","26.2864","0.0015","7.1977","0.0004","24.6704","0.0015","90","","115.314","0.002","90","","4219.5","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[PPh4)[Ni(Et-thiazdt)2]","","","- C38 H36 N4 Ni P S8 -","- C38 H36 N4 Ni P S8 -","- C152 H144 N16 Ni4 P4 S32 -","4","0.5","","Filatre-Furcate, Agathe; Bellec, Nathalie; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc; Vacher, Antoine; Lorcy, Dominique","Radical or not radical: compared structures of metal (m = ni, au) bis-dithiolene complexes with a thiazole backbone.","Inorganic chemistry","2014","53","16","8681","8690","10.1021/ic501293z","","","0.71073","MoKα","","0.054","0.0353","","","0.0945","0.1195","","","","","","1.195","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340584","5.6672","0.0002","21.7434","0.0007","7.372","0.0002","90","","110.885","0.002","90","","848.72","0.05","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","[Ni(Et-thiazdt)2]0","","","- C10 H10 N2 Ni S8 -","- C10 H10 N2 Ni S8 -","- C20 H20 N4 Ni2 S16 -","2","0.5","","Filatre-Furcate, Agathe; Bellec, Nathalie; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc; Vacher, Antoine; Lorcy, Dominique","Radical or not radical: compared structures of metal (m = ni, au) bis-dithiolene complexes with a thiazole backbone.","Inorganic chemistry","2014","53","16","8681","8690","10.1021/ic501293z","","","0.71073","MoKα","","0.0442","0.0306","","","0.0618","0.0644","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340585","7.3784","0.0002","10.6075","0.0003","13.2845","0.0003","90","","90.156","0.001","90","","1039.73","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1","","","- C7 H10 Cl2 Ge N2 -","- C7 H10 Cl2 Ge N2 -","- C28 H40 Cl8 Ge4 N8 -","4","1","","Swarnakar, Anindya K.; McDonald, Sean M.; Deutsch, Kelsey C.; Choi, Paul; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Application of the Donor-Acceptor Concept to Intercept Low Oxidation State Group 14 Element Hydrides using a Wittig Reagent as a Lewis Base.","Inorganic chemistry","2014","53","16","8662","8671","10.1021/ic501265k","","","1.54178","CuKα","","0.037","0.0313","","","0.0821","0.085","","","","","","1.044","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340586","15.158","0.005","9.974","0.003","13.629","0.004","90","","90","","90","","2060.5","1.1","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","2","","","- C18 H33 Cl2 Ge P -","- C18 H33 Cl2 Ge P -","- C72 H132 Cl8 Ge4 P4 -","4","1","","Swarnakar, Anindya K.; McDonald, Sean M.; Deutsch, Kelsey C.; Choi, Paul; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Application of the Donor-Acceptor Concept to Intercept Low Oxidation State Group 14 Element Hydrides using a Wittig Reagent as a Lewis Base.","Inorganic chemistry","2014","53","16","8662","8671","10.1021/ic501265k","","","0.71073","MoKα","","0.0197","0.0189","","","0.0506","0.051","","","","","","1.058","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340587","10.0042","0.0002","10.1516","0.0002","18.8977","0.0004","104.876","0.0015","93.2352","0.0013","112.617","0.0012","1686.16","0.06","173","2","173","2","","","","","","","","3","P -1","-P 1","2","3","","","- C21 H21 P -","- C21 H21 P -","- C84 H84 P4 -","4","2","","Swarnakar, Anindya K.; McDonald, Sean M.; Deutsch, Kelsey C.; Choi, Paul; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Application of the Donor-Acceptor Concept to Intercept Low Oxidation State Group 14 Element Hydrides using a Wittig Reagent as a Lewis Base.","Inorganic chemistry","2014","53","16","8662","8671","10.1021/ic501265k","","","1.54178","CuKα","","0.0443","0.0379","","","0.0977","0.102","","","","","","1.036","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340588","12.072","0.0003","9.3272","0.0003","17.8199","0.0005","90","","90","","90","","2006.48","0.1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","4","","","- C21 H21 Cl2 Ge P -","- C21 H21 Cl2 Ge P -","- C84 H84 Cl8 Ge4 P4 -","4","1","","Swarnakar, Anindya K.; McDonald, Sean M.; Deutsch, Kelsey C.; Choi, Paul; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Application of the Donor-Acceptor Concept to Intercept Low Oxidation State Group 14 Element Hydrides using a Wittig Reagent as a Lewis Base.","Inorganic chemistry","2014","53","16","8662","8671","10.1021/ic501265k","","","0.71073","MoKα","","0.0169","0.0164","","","0.0434","0.0435","","","","","","1.067","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340589","34.2302","0.0009","7.9115","0.0002","23.0344","0.0006","90","","128.587","0.0003","90","","4876","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5","","","- C25 H34 B Ge O P -","- C25 H34 B Ge O P -","- C200 H272 B8 Ge8 O8 P8 -","8","1","","Swarnakar, Anindya K.; McDonald, Sean M.; Deutsch, Kelsey C.; Choi, Paul; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Application of the Donor-Acceptor Concept to Intercept Low Oxidation State Group 14 Element Hydrides using a Wittig Reagent as a Lewis Base.","Inorganic chemistry","2014","53","16","8662","8671","10.1021/ic501265k","","","0.71073","MoKα","","0.0313","0.0264","","","0.0706","0.0735","","","","","","1.035","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340590","12.9507","0.0004","14.5477","0.0004","22.1627","0.0006","90","","103.107","0.0003","90","","4066.7","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","6","","","- C21 H21 Cl2 P Sn -","- C21 H21 Cl2 P Sn -","- C168 H168 Cl16 P8 Sn8 -","8","1","","Swarnakar, Anindya K.; McDonald, Sean M.; Deutsch, Kelsey C.; Choi, Paul; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Application of the Donor-Acceptor Concept to Intercept Low Oxidation State Group 14 Element Hydrides using a Wittig Reagent as a Lewis Base.","Inorganic chemistry","2014","53","16","8662","8671","10.1021/ic501265k","","","0.71073","MoKα","","0.0197","0.018","","","0.0456","0.0466","","","","","","1.043","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340591","9.7208","0.0004","9.9807","0.0004","10.0913","0.0004","99.4355","0.0004","92.3567","0.0005","113.111","0.0004","882.28","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","7","","","- C21 H24 B P -","- C21 H24 B P -","- C42 H48 B2 P2 -","2","1","","Swarnakar, Anindya K.; McDonald, Sean M.; Deutsch, Kelsey C.; Choi, Paul; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Application of the Donor-Acceptor Concept to Intercept Low Oxidation State Group 14 Element Hydrides using a Wittig Reagent as a Lewis Base.","Inorganic chemistry","2014","53","16","8662","8671","10.1021/ic501265k","","","0.71073","MoKα","","0.0388","0.0348","","","0.0896","0.0928","","","","","","1.057","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340592","14.2653","0.0004","12.4535","0.0003","31.0261","0.0008","90","","97.2299","0.0003","90","","5468.1","0.2","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","8","","","- C26 H21 Cl2 Ge O5 P W -","- C26 H21 Cl2 Ge O5 P W -","- C208 H168 Cl16 Ge8 O40 P8 W8 -","8","1","","Swarnakar, Anindya K.; McDonald, Sean M.; Deutsch, Kelsey C.; Choi, Paul; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Application of the Donor-Acceptor Concept to Intercept Low Oxidation State Group 14 Element Hydrides using a Wittig Reagent as a Lewis Base.","Inorganic chemistry","2014","53","16","8662","8671","10.1021/ic501265k","","","0.71073","MoKα","","0.0138","0.0129","","","0.0308","0.0311","","","","","","1.049","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340593","14.4711","0.0006","12.6086","0.0005","31.0557","0.0013","90","","96.8451","0.0005","90","","5626","0.4","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","9","","","- C26 H21 Cl2 O5 P Sn W -","- C26 H21 Cl2 O5 P Sn W -","- C208 H168 Cl16 O40 P8 Sn8 W8 -","8","1","","Swarnakar, Anindya K.; McDonald, Sean M.; Deutsch, Kelsey C.; Choi, Paul; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Application of the Donor-Acceptor Concept to Intercept Low Oxidation State Group 14 Element Hydrides using a Wittig Reagent as a Lewis Base.","Inorganic chemistry","2014","53","16","8662","8671","10.1021/ic501265k","","","0.71073","MoKα","","0.0167","0.0154","","","0.0382","0.0387","","","","","","1.033","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340594","10.7586","0.0006","11.9138","0.0007","12.7748","0.0008","79.1297","0.0006","89.4825","0.0007","64.8919","0.0006","1451.45","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","10","","","- C28 H28 O5.5 P Sn W -","- C28 H28 O5.5 P Sn W -","- C56 H56 O11 P2 Sn2 W2 -","2","1","","Swarnakar, Anindya K.; McDonald, Sean M.; Deutsch, Kelsey C.; Choi, Paul; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Application of the Donor-Acceptor Concept to Intercept Low Oxidation State Group 14 Element Hydrides using a Wittig Reagent as a Lewis Base.","Inorganic chemistry","2014","53","16","8662","8671","10.1021/ic501265k","","","0.71073","MoKα","","0.0169","0.0167","","","0.0423","0.0425","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340595","20.368","0.009","13.284","0.006","18.748","0.009","90","","97.06","0.006","90","","5034","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H26 Cl3 P Sn -","- C24.5 H26 Cl3 P Sn -","- C196 H208 Cl24 P8 Sn8 -","8","1","","Swarnakar, Anindya K.; McDonald, Sean M.; Deutsch, Kelsey C.; Choi, Paul; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Application of the Donor-Acceptor Concept to Intercept Low Oxidation State Group 14 Element Hydrides using a Wittig Reagent as a Lewis Base.","Inorganic chemistry","2014","53","16","8662","8671","10.1021/ic501265k","","","0.71073","MoKα","","0.1234","0.0655","","","0.1582","0.1898","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340596","6.745","0.003","14.364","0.003","6.759","0.003","90","","90.8","0.02","90","","654.8","0.4","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-dimethylimidazolium Tetrabromoferrate","","- C5 H9 Br4 Fe N2 -","- C5 H9 Br4 Fe N2 -","- C10 H18 Br8 Fe2 N4 -","2","1","","García-Saiz, Abel; de Pedro, Imanol; Migowski, Pedro; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesús Angel; Fabelo, Oscar; Sheptyakov, Denis; Waerenborgh, Joao Carlos; Fernández-Díaz, María Teresa; Rius, Jordi; Dupont, Jairton; Gonzalez, Jesús Antonio; Fernández, Jesús Rodríguez","Anion-π and Halide-Halide Nonbonding Interactions in a New Ionic Liquid Based on Imidazolium Cation with Three-Dimensional Magnetic Ordering in the Solid State.","Inorganic chemistry","2014","53","16","8384","8396","10.1021/ic500882z","powder diffraction","","1.8857","","","","","","","","","","0.008","1.291","","","","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340597","6.752","0.0001","14.3717","0.0003","6.75","0.0002","90","","90.676","0.001","90","","654.96","0.03","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-dimethylimidazolium Tetrabromoferrate","","- C5 H9 Br4 Fe N2 -","- C5 H9 Br4 Fe N2 -","- C10 H18 Br8 Fe2 N4 -","2","1","","García-Saiz, Abel; de Pedro, Imanol; Migowski, Pedro; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesús Angel; Fabelo, Oscar; Sheptyakov, Denis; Waerenborgh, Joao Carlos; Fernández-Díaz, María Teresa; Rius, Jordi; Dupont, Jairton; Gonzalez, Jesús Antonio; Fernández, Jesús Rodríguez","Anion-π and Halide-Halide Nonbonding Interactions in a New Ionic Liquid Based on Imidazolium Cation with Three-Dimensional Magnetic Ordering in the Solid State.","Inorganic chemistry","2014","53","16","8384","8396","10.1021/ic500882z","powder diffraction","","0.62039","","","","","","","","","","0.019","2.047","","","","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340598","9.7934","0.0017","10.2626","0.0015","19.442","0.003","75.21","0.014","78.183","0.016","85.544","0.015","1848.6","0.5","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H38 Sn2 -","- C48 H38 Sn2 -","- C96 H76 Sn4 -","2","1","","Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.","Inorganic chemistry","2014","53","16","8795","8808","10.1021/ic5014768","","","0.71075","MoKα","","","0.0324","","","","0.092","","","","","","0.998","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340599","17.147","0.003","8.0259","0.0013","14.092","0.003","90","","107.314","0.008","90","","1851.5","0.6","125","","125","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Sn2 -","- C18 H26 Sn2 -","- C72 H104 Sn8 -","4","1","","Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.","Inorganic chemistry","2014","53","16","8795","8808","10.1021/ic5014768","","","0.71075","MoKα","","0.031","0.0277","","","0.0636","0.0647","","","","","","1.185","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340600","7.419","0.001","8.1723","0.0011","10.6253","0.0015","108.784","0.008","108.004","0.008","90.7","0.006","575.56","0.14","125","","125","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 Sn2 -","- C28 H28 Sn2 -","- C28 H28 Sn2 -","1","0.5","","Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.","Inorganic chemistry","2014","53","16","8795","8808","10.1021/ic5014768","","","0.71075","MoKα","","","0.031","","","","0.0737","","","","","","1.19","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340601","9.837","0.005","11.404","0.005","11.644","0.005","91.096","0.016","107.303","0.017","92.747","0.017","1244.9","1","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H32 P2 -","- C30 H32 P2 -","- C60 H64 P4 -","2","1","","Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.","Inorganic chemistry","2014","53","16","8795","8808","10.1021/ic5014768","","","0.71075","MoKα","","","0.0754","","","","0.1757","","","","","","0.996","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340602","13.85","0.001","14.5076","0.0011","30.183","0.003","90","","90","","90","","6064.7","0.9","125","","125","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H32 Mo O4 P2 -","- C34 H32 Mo O4 P2 -","- C272 H256 Mo8 O32 P16 -","8","1","","Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.","Inorganic chemistry","2014","53","16","8795","8808","10.1021/ic5014768","","","0.71075","MoKα","","","0.0438","","","","0.0959","","","","","","1.042","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340603","14.753","0.002","17.857","0.003","11.2376","0.0015","90","","90","","90","","2960.5","0.8","125","","125","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H34 Cl4 P2 Pt -","- C31 H34 Cl4 P2 Pt -","- C124 H136 Cl16 P8 Pt4 -","4","1","","Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.","Inorganic chemistry","2014","53","16","8795","8808","10.1021/ic5014768","","","0.71075","MoKα","","","0.0578","","","","0.1253","","","","","","1.097","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340604","8.95","0.002","11.086","0.003","14.038","0.004","90","","97.158","0.007","90","","1382","0.6","93","","93","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C30 H32 P2 S2 -","- C30 H32 P2 S2 -","- C60 H64 P4 S4 -","2","1","","Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.","Inorganic chemistry","2014","53","16","8795","8808","10.1021/ic5014768","","","0.71075","MoKα","","","0.0517","","","","0.1021","","","","","","1.032","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340605","8.5216","0.0016","9.8317","0.0018","16.798","0.004","96.603","0.007","93.163","0.007","113.597","0.008","1273.2","0.5","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H34 P2 S2 -","- C27 H34 P2 S2 -","- C54 H68 P4 S4 -","2","1","","Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.","Inorganic chemistry","2014","53","16","8795","8808","10.1021/ic5014768","","","0.71075","MoKα","","","0.0419","","","","0.1013","","","","","","1.028","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340606","8.3177","0.0007","8.6114","0.0007","22.579","0.0017","90","","99.088","0.007","90","","1597","0.2","125","","125","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br P -","- C18 H22 Br P -","- C72 H88 Br4 P4 -","4","1","","Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.","Inorganic chemistry","2014","53","16","8795","8808","10.1021/ic5014768","","","0.71075","MoKα","","","0.0397","","","","0.0947","","","","","","1.047","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340607","11.194","0.003","14.043","0.003","12.014","0.003","90","","111.185","0.008","90","","1760.9","0.8","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Br P -","- C21 H20 Br P -","- C84 H80 Br4 P4 -","4","1","","Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.","Inorganic chemistry","2014","53","16","8795","8808","10.1021/ic5014768","","","0.71075","MoKα","","","0.0543","","","","0.1349","","","","","","1.152","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340608","18.2148","0.0003","5.19792","0.00007","17.3588","0.0003","90","","99.1298","0.0014","90","","1622.69","0.04","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- As8 O18 Th -","- As8 O18 Th -","- As32 O72 Th4 -","4","0.5","","Yu, Na; Klepov, Vladislav V.; Kegler, Philip; Bosbach, Dirk; Albrecht-Schmitt, Thomas E; Alekseev, Evgeny V.","Th(As(III)4As(V)4O18): a Mixed-Valent Oxoarsenic(III)/arsenic(V) Actinide Compound Obtained under Extreme Conditions.","Inorganic chemistry","2014","53","16","8194","8196","10.1021/ic5013704","","","0.71073","MoKα","","0.0173","0.016","","","0.0419","0.0423","","","","","","1.113","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340609","5.2708","0.0004","7.4467","0.001","5.2725","0.0012","90","","90","","90","","206.95","0.06","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi Mn O3 -","- Bi Mn O3 -","- Bi4 Mn4 O12 -","4","0.5","","Calestani, Gianluca; Orlandi, Fabio; Mezzadri, Francesco; Righi, Lara; Merlini, Marco; Gilioli, Edmondo","Structural Evolution under Pressure of BiMnO3.","Inorganic chemistry","2014","53","16","8749","8754","10.1021/ic5013878","","","0.41456","synchrotron","","0.046","0.0398","","","0.0895","0.0914","","","","","","3.39","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340610","9.623","0.0013","5.4604","0.0002","9.824","0.004","90","","110.96","0.03","90","","482","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Bi Mn O3 -","- Bi Mn O3 -","- Bi8 Mn8 O24 -","8","2","","Calestani, Gianluca; Orlandi, Fabio; Mezzadri, Francesco; Righi, Lara; Merlini, Marco; Gilioli, Edmondo","Structural Evolution under Pressure of BiMnO3.","Inorganic chemistry","2014","53","16","8749","8754","10.1021/ic5013878","","","0.41456","synchrotron","","0.0379","0.0337","","","0.0786","0.0792","","","","","","2.68","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340611","9.513","0.003","5.5941","0.0005","9.836","0.011","90","","110.37","0.08","90","","490.7","0.6","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Bi Mn O3 -","- Bi Mn O3 -","- Bi8 Mn8 O24 -","8","1","","Calestani, Gianluca; Orlandi, Fabio; Mezzadri, Francesco; Righi, Lara; Merlini, Marco; Gilioli, Edmondo","Structural Evolution under Pressure of BiMnO3.","Inorganic chemistry","2014","53","16","8749","8754","10.1021/ic5013878","","","0.41456","synchrotron","","0.0339","0.0311","","","0.0695","0.0697","","","","","","2.89","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340612","5.4987","0.0002","7.5692","0.0007","5.44","0.0008","90","","90","","90","","226.42","0.04","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi Mn O3 -","- Bi Mn O3 -","- Bi4 Mn4 O12 -","4","0.5","","Calestani, Gianluca; Orlandi, Fabio; Mezzadri, Francesco; Righi, Lara; Merlini, Marco; Gilioli, Edmondo","Structural Evolution under Pressure of BiMnO3.","Inorganic chemistry","2014","53","16","8749","8754","10.1021/ic5013878","","","0.41456","synchrotron","","0.0315","0.0282","","","0.0693","0.0699","","","","","","2.6","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340613","41.727","0.005","15.8843","0.0018","24.408","0.003","90","","124.355","0.002","90","","13356","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H107 Cl0.38 F0.63 O7 U -","- C79 H107 Cl0.379 F0.621 O7 U -","- C632 H856 Cl3.032 F4.968 O56 U8 -","8","1","","Halter, Dominik P.; La Pierre, Henry S.; Heinemann, Frank W.; Meyer, Karsten","Uranium(IV) Halide (F(-), Cl(-), Br(-), and I(-)) Monoarene Complexes.","Inorganic chemistry","2014","53","16","8418","8424","10.1021/ic501011p","","","0.71073","MoKα","","0.0777","0.0445","","","0.1033","0.1153","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340614","11.6837","0.001","16.2568","0.0014","26.19","0.002","89.898","0.002","87.804","0.002","88.879","0.002","4969.9","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H75 F O3 U -","- C63 H75 F O3 U -","- C252 H300 F4 O12 U4 -","4","2","","Halter, Dominik P.; La Pierre, Henry S.; Heinemann, Frank W.; Meyer, Karsten","Uranium(IV) Halide (F(-), Cl(-), Br(-), and I(-)) Monoarene Complexes.","Inorganic chemistry","2014","53","16","8418","8424","10.1021/ic501011p","","","0.71073","MoKα","","0.0441","0.0388","","","0.0954","0.0981","","","","","","1.066","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340615","31.85","0.003","19.5058","0.0018","21.505","0.0019","90","","112.822","0.002","90","","12314","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74.5 H101 Cl O4 U -","- C74.5 H95 Cl O4 U -","- C596 H760 Cl8 O32 U8 -","8","1","","Halter, Dominik P.; La Pierre, Henry S.; Heinemann, Frank W.; Meyer, Karsten","Uranium(IV) Halide (F(-), Cl(-), Br(-), and I(-)) Monoarene Complexes.","Inorganic chemistry","2014","53","16","8418","8424","10.1021/ic501011p","","","0.71073","MoKα","","0.0793","0.0407","","","0.0918","0.1077","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340616","42.414","0.0011","16.0097","0.0005","24.1631","0.0007","90","","124.319","0.001","90","","13551.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C79 H107 Br O7 U -","- C79 H107 Br O7 U -","- C632 H856 Br8 O56 U8 -","8","1","","Halter, Dominik P.; La Pierre, Henry S.; Heinemann, Frank W.; Meyer, Karsten","Uranium(IV) Halide (F(-), Cl(-), Br(-), and I(-)) Monoarene Complexes.","Inorganic chemistry","2014","53","16","8418","8424","10.1021/ic501011p","","","0.71073","MoKα","","0.0577","0.0355","","","0.078","0.0837","","","","","","1.296","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340617","11.413","0.002","19.496","0.004","27.156","0.005","90","","101.789","0.01","90","","5915","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69.5 H89 I O4 U -","- C69.5 H89 I O4 U -","- C278 H356 I4 O16 U4 -","4","1","","Halter, Dominik P.; La Pierre, Henry S.; Heinemann, Frank W.; Meyer, Karsten","Uranium(IV) Halide (F(-), Cl(-), Br(-), and I(-)) Monoarene Complexes.","Inorganic chemistry","2014","53","16","8418","8424","10.1021/ic501011p","","","0.71073","MoKα","","0.0995","0.0469","","","0.0803","0.0952","","","","","","0.986","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340618","17.9603","0.0004","17.9603","0.0004","62.8136","0.0016","90","","90","","120","","17547.3","0.7","120","1","120","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C31 H52 Cl2 Fe N10 O9 -","- C31 H48 Cl2 Fe N10 O9 -","- C558 H864 Cl36 Fe18 N180 O162 -","18","1","","Seredyuk, Maksym; Muñoz, M Carmen; Ksenofontov, Vadim; Gütlich, Philipp; Galyametdinov, Yury; Real, Jose A.","Spin Crossover Star-Shaped Metallomesogens of Iron(II).","Inorganic chemistry","2014","53","16","8442","8454","10.1021/ic5010159","","","0.71069","MoKα","","0.0879","0.0623","","","0.1599","0.1803","","","","","","1.015","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340619","15.76","0.002","13.6383","0.0012","24.499","0.003","90","","103.348","0.013","90","","5123.6","1","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Cl2 Fe N10 O8 -","- C48 H66 Cl2 Fe N10 O8 -","- C192 H264 Cl8 Fe4 N40 O32 -","4","1","","Seredyuk, Maksym; Muñoz, M Carmen; Ksenofontov, Vadim; Gütlich, Philipp; Galyametdinov, Yury; Real, Jose A.","Spin Crossover Star-Shaped Metallomesogens of Iron(II).","Inorganic chemistry","2014","53","16","8442","8454","10.1021/ic5010159","","","0.71073","MoKα","","0.1821","0.1069","","","0.176","0.2911","","","","","","0.935","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340620","16.2286","0.0008","19.229","0.0009","20.049","0.001","64.687","0.005","75.385","0.005","78.892","0.005","5447","0.5","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C51 H82 B2 F8 Fe N7 O3.5 -","- C51 H81 B2 F8 Fe N7 O3.5 -","- C204 H324 B8 F32 Fe4 N28 O14 -","4","2","","Seredyuk, Maksym; Muñoz, M Carmen; Ksenofontov, Vadim; Gütlich, Philipp; Galyametdinov, Yury; Real, Jose A.","Spin Crossover Star-Shaped Metallomesogens of Iron(II).","Inorganic chemistry","2014","53","16","8442","8454","10.1021/ic5010159","","","0.71069","MoKα","","0.2021","0.0898","","","0.2147","0.3137","","","","","","0.9","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340621","18.1143","0.0004","18.1143","0.0004","63.6511","0.0017","90","","90","","120","","18087.5","0.7","250","1","250","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C31 H52 Cl2 Fe N10 O9 -","- C31 H48 Cl2 Fe N10 O9 -","- C558 H864 Cl36 Fe18 N180 O162 -","18","1","","Seredyuk, Maksym; Muñoz, M Carmen; Ksenofontov, Vadim; Gütlich, Philipp; Galyametdinov, Yury; Real, Jose A.","Spin Crossover Star-Shaped Metallomesogens of Iron(II).","Inorganic chemistry","2014","53","16","8442","8454","10.1021/ic5010159","","","0.71073","MoKα","","0.1587","0.0938","","","0.2832","0.3495","","","","","","1.107","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340622","16.6588","0.0009","19.2825","0.0013","20.092","0.0008","65.247","0.005","76.038","0.004","76.846","0.005","5628.9","0.6","200","1","200","1","","","","","","","","7","P -1","-P 1","2","","","","- C51 H82 B2 F8 Fe N7 O3.5 -","- C51 H81 B2 F8 Fe N7 O3.5 -","- C204 H324 B8 F32 Fe4 N28 O14 -","4","2","","Seredyuk, Maksym; Muñoz, M Carmen; Ksenofontov, Vadim; Gütlich, Philipp; Galyametdinov, Yury; Real, Jose A.","Spin Crossover Star-Shaped Metallomesogens of Iron(II).","Inorganic chemistry","2014","53","16","8442","8454","10.1021/ic5010159","","","0.71069","MoKα","","0.2203","0.1015","","","0.2355","0.3112","","","","","","1.005","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340623","16.0552","0.0009","13.8456","0.0006","24.7833","0.0013","90","","102.235","0.006","90","","5384","0.5","298","1","298","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Cl2 Fe N10 O8 -","- C48 H66 Cl2 Fe N10 O8 -","- C192 H264 Cl8 Fe4 N40 O32 -","4","1","","Seredyuk, Maksym; Muñoz, M Carmen; Ksenofontov, Vadim; Gütlich, Philipp; Galyametdinov, Yury; Real, Jose A.","Spin Crossover Star-Shaped Metallomesogens of Iron(II).","Inorganic chemistry","2014","53","16","8442","8454","10.1021/ic5010159","","","0.71073","MoKα","","0.1859","0.0965","","","0.1431","0.2925","","","","","","0.841","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340624","20.823","0.009","11.363","0.005","15.76","0.006","90","","114.602","0.006","90","","3390","2","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 N2 Na Ni O1.5 S2 -","- C12 H24 N2 Na Ni O1.5 S2 -","- C96 H192 N16 Na8 Ni8 O12 S16 -","8","1","","Nakane, Daisuke; Wasada-Tsutsui, Yuko; Funahashi, Yasuhiro; Hatanaka, Tsubasa; Ozawa, Tomohiro; Masuda, Hideki","A Novel Square-Planar Ni(II) Complex with an Amino-Carboxamido-Dithiolato-Type Ligand as an Active-Site Model of NiSOD.","Inorganic chemistry","2014","53","13","6512","6523","10.1021/ic402574d","","","0.7107","MoKα","","","0.0522","","","","0.1117","","","","","","0.76","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340625","9.8714","0.0009","14.948","0.0013","21.2648","0.0019","105.914","0.001","92.123","0.001","100.879","0.001","2950.2","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H33 B2 Cl F2 O2 -","- C33.5 H33 B2 Cl F2 O2 -","- C134 H132 B8 Cl4 F8 O8 -","4","2","","Smith, Larissa F.; Blight, Barry A.; Park, Hee-Jun; Wang, Suning","Sensitizing Tb(III) and Eu(III) Emission with Triarylboron Functionalized 1,3-Diketonato Ligands.","Inorganic chemistry","2014","53","15","8036","","10.1021/ic500944t","","","0.71073","MoKα","","0.1403","0.0648","","","0.1542","0.1903","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340626","9.9391","0.0016","16.595","0.003","14.119","0.002","90","","109.87","0.003","90","","2190.1","0.6","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H53 B3 F2 O2 -","- C51 H53 B3 F2 O2 -","- C102 H106 B6 F4 O4 -","2","1","","Smith, Larissa F.; Blight, Barry A.; Park, Hee-Jun; Wang, Suning","Sensitizing Tb(III) and Eu(III) Emission with Triarylboron Functionalized 1,3-Diketonato Ligands.","Inorganic chemistry","2014","53","15","8036","","10.1021/ic500944t","","","0.71073","MoKα","","0.1628","0.0653","","","0.1259","0.1702","","","","","","0.998","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340627","7.6816","0.0014","6.3608","0.0011","14.582","0.003","90","","102.898","0.003","90","","694.5","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H13 Cu N3 O3 -","- C13 H13 Cu N3 O3 -","- C26 H26 Cu2 N6 O6 -","2","1","","Liu, Xiangyu; Cen, Peipei; Li, Hui; Ke, Hongshan; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Solvent-Induced Syntheses, Crystal Structures, Magnetic Properties, and Single-Crystal-to-Single-Crystal Transformation of Azido-Cu(II) Coordination Polymers with 2-Naphthoic Acid as Co-ligand.","Inorganic chemistry","2014","53","15","8088","","10.1021/ic5010769","","","0.71073","MoKα","","0.0903","0.0561","","","0.1007","0.1124","","","","","","1.014","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340628","5.0621","0.0017","6.579","0.002","31.087","0.01","90","","90","","90","","1035.3","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 Cu N3 O2 -","- C11 H7 Cu N3 O2 -","- C44 H28 Cu4 N12 O8 -","4","1","","Liu, Xiangyu; Cen, Peipei; Li, Hui; Ke, Hongshan; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Solvent-Induced Syntheses, Crystal Structures, Magnetic Properties, and Single-Crystal-to-Single-Crystal Transformation of Azido-Cu(II) Coordination Polymers with 2-Naphthoic Acid as Co-ligand.","Inorganic chemistry","2014","53","15","8088","","10.1021/ic5010769","","","0.71073","MoKα","","0.1541","0.0662","","","0.1392","0.1977","","","","","","1","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340629","9.249","0.002","6.798","0.0016","16.707","0.004","90","","100.275","0.005","90","","1033.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cu N3 O2 -","- C11 H7 Cu N3 O2 -","- C44 H28 Cu4 N12 O8 -","4","1","","Liu, Xiangyu; Cen, Peipei; Li, Hui; Ke, Hongshan; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Solvent-Induced Syntheses, Crystal Structures, Magnetic Properties, and Single-Crystal-to-Single-Crystal Transformation of Azido-Cu(II) Coordination Polymers with 2-Naphthoic Acid as Co-ligand.","Inorganic chemistry","2014","53","15","8088","","10.1021/ic5010769","","","0.71073","MoKα","","0.1037","0.0563","","","0.0725","0.0837","","","","","","1.023","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340630","19.4761","0.0013","12.4556","0.0009","13.9142","0.0009","90","","124.811","0.002","90","","2771.3","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Ag2 Fe N12 O0 -","- C26 H16 Ag2 Fe N12 -","- C104 H64 Ag8 Fe4 N48 -","4","0.5","","Yan, Zheng; Li, Jin-Yan; Liu, Tao; Ni, Zhao-Ping; Chen, Yan-Cong; Guo, Fu-Sheng; Tong, Ming-Liang","Enhanced Spin-Crossover Behavior Mediated by Supramolecular Cooperative Interactions.","Inorganic chemistry","2014","53","15","8129","","10.1021/ic5011902","","","0.71073","MoKα","","0.0581","0.0364","","","0.0852","0.0994","","","","","","1.052","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340631","20.9431","0.0015","13.3205","0.0004","12.8167","0.0009","90","","112.733","0.009","90","","3297.7","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Ag2 Fe N12 -","- C28 H20 Ag2 Fe N12 -","- C112 H80 Ag8 Fe4 N48 -","4","0.5","","Yan, Zheng; Li, Jin-Yan; Liu, Tao; Ni, Zhao-Ping; Chen, Yan-Cong; Guo, Fu-Sheng; Tong, Ming-Liang","Enhanced Spin-Crossover Behavior Mediated by Supramolecular Cooperative Interactions.","Inorganic chemistry","2014","53","15","8129","","10.1021/ic5011902","","","1.54178","CuKα","","0.0424","0.0362","","","0.1104","0.1164","","","","","","1.092","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340632","21.236","0.002","13.6005","0.0012","12.9411","0.0012","90","","112.208","0.002","90","","3460.4","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Ag2 Fe N12 -","- C28 H20 Ag2 Fe N12 -","- C112 H80 Ag8 Fe4 N48 -","4","0.5","","Yan, Zheng; Li, Jin-Yan; Liu, Tao; Ni, Zhao-Ping; Chen, Yan-Cong; Guo, Fu-Sheng; Tong, Ming-Liang","Enhanced Spin-Crossover Behavior Mediated by Supramolecular Cooperative Interactions.","Inorganic chemistry","2014","53","15","8129","","10.1021/ic5011902","","","0.71073","MoKα","","0.1224","0.0513","","","0.1315","0.1712","","","","","","0.953","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340633","9.6911","0.0003","9.0833","0.0003","14.3017","0.0006","90","","103.76","0.004","90","","1222.81","0.08","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H12 Ag2 Fe N16 -","- C22 H12 Ag2 Fe N16 -","- C44 H24 Ag4 Fe2 N32 -","2","0.5","","Yan, Zheng; Li, Jin-Yan; Liu, Tao; Ni, Zhao-Ping; Chen, Yan-Cong; Guo, Fu-Sheng; Tong, Ming-Liang","Enhanced Spin-Crossover Behavior Mediated by Supramolecular Cooperative Interactions.","Inorganic chemistry","2014","53","15","8129","","10.1021/ic5011902","","","1.54178","CuKα","","0.0302","0.0274","","","0.0709","0.0728","","","","","","1.065","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340634","9.8571","0.0003","9.4122","0.0002","14.2352","0.0005","90","","103.61","0.003","90","","1283.61","0.07","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H12 Ag2 Fe N16 -","- C22 H12 Ag2 Fe N16 -","- C44 H24 Ag4 Fe2 N32 -","2","0.5","","Yan, Zheng; Li, Jin-Yan; Liu, Tao; Ni, Zhao-Ping; Chen, Yan-Cong; Guo, Fu-Sheng; Tong, Ming-Liang","Enhanced Spin-Crossover Behavior Mediated by Supramolecular Cooperative Interactions.","Inorganic chemistry","2014","53","15","8129","","10.1021/ic5011902","","","1.54178","CuKα","","0.048","0.0378","","","0.0941","0.0999","","","","","","1.047","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340635","25.048","0.005","25.048","0.005","22.985","0.005","90","0.005","90","0.005","120","0.005","12489","4","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C81 H120 Cl Dy3 N6 Ni3 O30.5 -","- C81 H120 Cl Dy3 N6 Ni3 O30.5 -","- C324 H480 Cl4 Dy12 N24 Ni12 O122 -","4","0.333333","","Goura, Joydeb; Guillaume, Rogez; Rivière, Eric; Chandrasekhar, Vadapalli","Hexanuclear, Heterometallic, Ni3Ln3 Complexes Possessing O-Capped Homo- and Heterometallic Structural Subunits: SMM Behavior of the Dysprosium Analogue.","Inorganic chemistry","2014","53","15","7815","","10.1021/ic403090z","","","0.71069","MoKα","","0.0588","0.0488","","","0.1385","0.1464","","","","","","1.081","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4340636","25.18","0.005","25.18","0.005","22.779","0.005","90","0.005","90","0.005","120","0.005","12508","5","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C81 H120 Cl N6 Ni3 O27.5 Tb3 -","- C81 H120 Cl N6 Ni3 O27.5 Tb3 -","- C324 H480 Cl4 N24 Ni12 O110 Tb12 -","4","0.333333","","Goura, Joydeb; Guillaume, Rogez; Rivière, Eric; Chandrasekhar, Vadapalli","Hexanuclear, Heterometallic, Ni3Ln3 Complexes Possessing O-Capped Homo- and Heterometallic Structural Subunits: SMM Behavior of the Dysprosium Analogue.","Inorganic chemistry","2014","53","15","7815","","10.1021/ic403090z","","","0.71069","MoKα","","0.0461","0.0364","","","0.0913","0.0954","","","","","","1.031","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4340637","25.212","0.005","25.212","0.005","22.745","0.005","90","0.005","90","0.005","120","0.005","12521","5","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C81 H120 Cl Gd3 N6 Ni3 O31.5 -","- C81 H120 Cl Gd3 N6 Ni3 O31.5 -","- C324 H480 Cl4 Gd12 N24 Ni12 O126 -","4","0.333333","","Goura, Joydeb; Guillaume, Rogez; Rivière, Eric; Chandrasekhar, Vadapalli","Hexanuclear, Heterometallic, Ni3Ln3 Complexes Possessing O-Capped Homo- and Heterometallic Structural Subunits: SMM Behavior of the Dysprosium Analogue.","Inorganic chemistry","2014","53","15","7815","","10.1021/ic403090z","","","0.71069","MoKα","","0.0511","0.0431","","","0.1154","0.1192","","","","","","1.033","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4340638","25.066","0.005","25.066","0.005","22.972","0.005","90","0.005","90","0.005","120","0.005","12500","4","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C81 H120 Cl Ho3 N6 Ni3 O30.5 -","- C81 H120 Cl Ho3 N6 Ni3 O30.5 -","- C324 H480 Cl4 Ho12 N24 Ni12 O122 -","4","0.333333","","Goura, Joydeb; Guillaume, Rogez; Rivière, Eric; Chandrasekhar, Vadapalli","Hexanuclear, Heterometallic, Ni3Ln3 Complexes Possessing O-Capped Homo- and Heterometallic Structural Subunits: SMM Behavior of the Dysprosium Analogue.","Inorganic chemistry","2014","53","15","7815","","10.1021/ic403090z","","","0.71069","MoKα","","0.0623","0.0527","","","0.143","0.1478","","","","","","1.012","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4340639","24.964","0.005","24.964","0.005","23.036","0.005","90","0.005","90","0.005","120","0.005","12433","4","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C81 H120 Cl Er3 N6 Ni3 O29 -","- C81 H120 Cl Er3 N6 Ni3 O29 -","- C324 H480 Cl4 Er12 N24 Ni12 O116 -","4","0.333333","","Goura, Joydeb; Guillaume, Rogez; Rivière, Eric; Chandrasekhar, Vadapalli","Hexanuclear, Heterometallic, Ni3Ln3 Complexes Possessing O-Capped Homo- and Heterometallic Structural Subunits: SMM Behavior of the Dysprosium Analogue.","Inorganic chemistry","2014","53","15","7815","","10.1021/ic403090z","","","0.71069","MoKα","","0.0715","0.058","","","0.1421","0.149","","","","","","1.049","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340640","14.9415","0.0004","17.0016","0.0004","19.0343","0.0005","98.112","0.001","96.895","0.001","109.745","0.001","4431.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51.97 H55.15 N4 Ni0.5 O3.15 -","- C51.972 H55.144 N4 Ni0.5 O3.15 -","- C207.888 H220.576 N16 Ni2 O12.6 -","4","2","","Blusch, Lina K.; Mitevski, Oliver; Martin-Diaconescu, Vlad; Pröpper, Kevin; DeBeer, Serena; Dechert, Sebastian; Meyer, Franc","Selective Synthesis and Redox Sequence of a Heterobimetallic Nickel/Copper Complex of the Noninnocent Siamese-Twin Porphyrin.","Inorganic chemistry","2014","53","15","7876","","10.1021/ic500460n","","","1.54178","CuKα","","0.0657","0.0602","","","0.1667","0.1794","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340641","11.3127","0.0018","14.687","0.002","14.766","0.002","85.881","0.008","79.811","0.008","70.3","0.008","2273.1","0.6","230","2","230","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H38 Fe2 N12 O5 Pt2 Se2 -","- C34 H33 Fe2 N12 O5 Pt2 Se2 -","- C68 H66 Fe4 N24 O10 Pt4 Se4 -","2","1","","Sciortino, Natasha F.; Neville, Suzanne M.; Létard, Jean-François; Moubaraki, Boujemaa; Murray, Keith S.; Kepert, Cameron J.","Thermal- and Light-Induced Spin-Crossover Bistability in a Disrupted Hofmann-Type 3D Framework.","Inorganic chemistry","2014","53","15","7886","","10.1021/ic500323r","","","0.71073","MoKα","","0.0611","0.0469","","","0.118","0.124","","","","","","1.204","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340642","10.9555","0.0011","14.7173","0.0014","14.4397","0.0015","85.062","0.005","78.378","0.005","69.983","0.005","2142.3","0.4","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H38 Fe2 N12 O5 Pt2 Se2 -","- C34 H34 Fe2 N12 O5 Pt2 Se2 -","- C68 H68 Fe4 N24 O10 Pt4 Se4 -","2","1","","Sciortino, Natasha F.; Neville, Suzanne M.; Létard, Jean-François; Moubaraki, Boujemaa; Murray, Keith S.; Kepert, Cameron J.","Thermal- and Light-Induced Spin-Crossover Bistability in a Disrupted Hofmann-Type 3D Framework.","Inorganic chemistry","2014","53","15","7886","","10.1021/ic500323r","","","0.71073","MoKα","","0.0686","0.0362","","","0.0789","0.0928","","","","","","1.063","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340643","14.33158","0.00015","26.15102","0.00031","3.83624","0.00003","90","","90","","90","","1437.77","0.03","298","","298","","","","","","","","","3","I m m m","-I 2 2","71","","","","- Ag Nb7 O18 -","- Ag1.012 Nb7 O18 -","- Ag4.048 Nb28 O72 -","4","0.25","","Woodward, David I.; Beanland, Richard","AgNb7O18: An Ergodic Relaxor Ferroelectric.","Inorganic chemistry","2014","53","17","8941","8948","10.1021/ic5007346","powder diffraction","","1.5406","CuKα~1~","","0.04825","","","","","","","","1.196","","","","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340644","14.3316","0.00015","26.15085","0.00031","3.83623","0.00003","90","","90","","90","","1437.76","0.03","298","","298","","","","","","","","","3","I m 2 m","I -2 -2","44","","","","- Ag Nb7 O18 -","- Ag1.016 Nb7 O18 -","- Ag4.064 Nb28 O72 -","4","0.5","","Woodward, David I.; Beanland, Richard","AgNb7O18: An Ergodic Relaxor Ferroelectric.","Inorganic chemistry","2014","53","17","8941","8948","10.1021/ic5007346","powder diffraction","","1.5406","CuKα~1~","","0.04848","","","","","","","","1.196","","","","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340645","7.1362","0.0001","21.3103","0.0004","7.2004","0.0001","90","","94.887","0.002","90","","1091.02","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H2 O26 Pb4 Se3 V6 -","- H2 O26 Pb4 Se3 V6 -","- H4 O52 Pb8 Se6 V12 -","2","1","","Cao, Xue-Li; Kong, Fang; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Pb4V6O16(SeO3)3(H2O), Pb2VO2(SeO3)2Cl, and PbVO2(SeO3)F: New Lead(II)-Vanadium(V) Mixed-Metal Selenites Featuring Novel Anionic Skeletons.","Inorganic chemistry","2014","53","16","8816","8824","10.1021/ic501548m","","","1.54178","CuKα","","0.0323","0.0317","","","0.0786","0.0789","","","","","","1.043","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340646","8.333","0.003","5.3171","0.0016","10.71","0.004","90","","111.701","0.005","90","","440.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Cl O8 Pb2 Se2 V -","- Cl O8 Pb2 Se2 V -","- Cl2 O16 Pb4 Se4 V2 -","2","1","","Cao, Xue-Li; Kong, Fang; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Pb4V6O16(SeO3)3(H2O), Pb2VO2(SeO3)2Cl, and PbVO2(SeO3)F: New Lead(II)-Vanadium(V) Mixed-Metal Selenites Featuring Novel Anionic Skeletons.","Inorganic chemistry","2014","53","16","8816","8824","10.1021/ic501548m","","","0.71073","MoKα","","0.0248","0.0233","","","0.0431","0.0434","","","","","","0.92","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340647","9.812","0.003","8.147","0.003","13.026","0.004","90","","90","","90","","1041.3","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- F O5 Pb Se V -","- F O5 Pb Se V -","- F8 O40 Pb8 Se8 V8 -","8","1","","Cao, Xue-Li; Kong, Fang; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Pb4V6O16(SeO3)3(H2O), Pb2VO2(SeO3)2Cl, and PbVO2(SeO3)F: New Lead(II)-Vanadium(V) Mixed-Metal Selenites Featuring Novel Anionic Skeletons.","Inorganic chemistry","2014","53","16","8816","8824","10.1021/ic501548m","","","0.71073","MoKα","","0.0339","0.0308","","","0.0718","0.0734","","","","","","1.04","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340648","10.041","0.0004","11.8991","0.0005","12.3514","0.0008","102.901","0.007","105.917","0.008","107.811","0.008","1272.83","0.17","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H21 B Fe N6 -","- C34 H21 B Fe N6 -","- C68 H42 B2 Fe2 N12 -","2","1","","Maligaspe, Eranda; Hauwiller, Matthew R.; Zatsikha, Yuriy V.; Hinke, Jonathan A.; Solntsev, Pavlo V.; Blank, David A.; Nemykin, Victor N.","Redox and photoinduced electron-transfer properties in short distance organoboryl ferrocene-subphthalocyanine dyads.","Inorganic chemistry","2014","53","17","9336","9347","10.1021/ic5014544","","","0.71075","MoKα","","0.072","0.0466","","","0.1198","0.1432","","","","","","1.1","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340649","13.2281","0.0008","13.6458","0.0009","19.1772","0.0014","71.365","0.005","89.078","0.006","71.701","0.005","3100.6","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.25 H21.5 B Cl0.5 Fe N6 -","- C36.2496 H21 B Cl0.5 Fe N6 -","- C144.998 H84 B4 Cl2 Fe4 N24 -","4","2","","Maligaspe, Eranda; Hauwiller, Matthew R.; Zatsikha, Yuriy V.; Hinke, Jonathan A.; Solntsev, Pavlo V.; Blank, David A.; Nemykin, Victor N.","Redox and photoinduced electron-transfer properties in short distance organoboryl ferrocene-subphthalocyanine dyads.","Inorganic chemistry","2014","53","17","9336","9347","10.1021/ic5014544","","","0.71075","MoKα","","0.134","0.0863","","","0.2311","0.2696","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340650","26.0512","0.001","26.0512","0.001","26.0512","0.001","90","","90","","90","","17680","1.2","173","2","173","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C45 H20 O19 Zr3 -","- C45 H18 O19 Zr3 -","- C360 H144 O152 Zr24 -","8","0.333333","","Wang, Bin; Huang, Hongliang; Lv, Xiu-Liang; Xie, Yabo; Li, Ming; Li, Jian-Rong","Tuning CO2 Selective Adsorption over N2 and CH4 in UiO-67 Analogues through Ligand Functionalization.","Inorganic chemistry","2014","53","17","9254","9259","10.1021/ic5013473","","","0.71073","MoKα","","0.1041","0.0865","","","0.2048","0.2159","","","","","","1.065","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340651","26.3478","0.0001","26.3478","0.0001","26.3478","0.0001","90","","90","","90","","18290.8","0.12","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C42 H20 O22 S3 Zr3 -","- C42 H18 O22 S3 Zr3 -","- C336 H144 O176 S24 Zr24 -","8","0.333333","","Wang, Bin; Huang, Hongliang; Lv, Xiu-Liang; Xie, Yabo; Li, Ming; Li, Jian-Rong","Tuning CO2 Selective Adsorption over N2 and CH4 in UiO-67 Analogues through Ligand Functionalization.","Inorganic chemistry","2014","53","17","9254","9259","10.1021/ic5013473","","","1.54178","CuKα","","0.0653","0.0466","","","0.1229","0.1321","","","","","","0.917","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340652","14.9952","0.0003","18.6722","0.0003","23.2983","0.0006","106.82","0.001","100.502","0.001","100.416","0.001","5947.7","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H102 Cl24 Eu2 N12 O32 P8 -","- C60 H102 Cl24 Eu2 N12 O32 P8 -","- C120 H204 Cl48 Eu4 N24 O64 P16 -","2","1","","Tang, Si-Fu; Lorbeer, Chantal; Wang, Xinjiao; Ghosh, Pushpal; Mudring, Anja-Verena","Highly luminescent salts containing well-shielded lanthanide-centered complex anions and bulky imidazolium countercations.","Inorganic chemistry","2014","53","17","9027","9035","10.1021/ic500979p","","","0.71073","MoKα","","0.0697","0.0483","","","0.1172","0.1334","","","","","","1.021","","","","has coordinates,has disorder","179509","2020-10-21","18:00:00",""
"4340653","14.9532","0.0004","18.6732","0.0006","23.2428","0.0011","106.83","0.002","100.549","0.002","100.253","0.001","5920.1","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H102 Cl24 N12 O32 P8 Tb2 -","- C60 H102 Cl24 N12 O32 P8 Tb2 -","- C120 H204 Cl48 N24 O64 P16 Tb4 -","2","1","","Tang, Si-Fu; Lorbeer, Chantal; Wang, Xinjiao; Ghosh, Pushpal; Mudring, Anja-Verena","Highly luminescent salts containing well-shielded lanthanide-centered complex anions and bulky imidazolium countercations.","Inorganic chemistry","2014","53","17","9027","9035","10.1021/ic500979p","","","0.71073","MoKα","","0.0635","0.0467","","","0.1164","0.1303","","","","","","1.017","","","","has coordinates,has disorder","179509","2020-10-21","18:00:00",""
"4340654","13.1772","0.0003","22.2635","0.0005","22.3029","0.0005","79.416","0.001","86.005","0.001","73.805","0.001","6175.3","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H110 Cl24 Eu2 N12 O32 P8 -","- C64 H110 Cl24 Eu2 N12 O32 P8 -","- C128 H220 Cl48 Eu4 N24 O64 P16 -","2","1","","Tang, Si-Fu; Lorbeer, Chantal; Wang, Xinjiao; Ghosh, Pushpal; Mudring, Anja-Verena","Highly luminescent salts containing well-shielded lanthanide-centered complex anions and bulky imidazolium countercations.","Inorganic chemistry","2014","53","17","9027","9035","10.1021/ic500979p","","","0.71073","MoKα","","0.116","0.0562","","","0.137","0.1682","","","","","","1.009","","","","has coordinates,has disorder","179509","2020-10-21","18:00:00",""
"4340655","13.1929","0.0005","22.2461","0.0007","22.2683","0.0008","79.458","0.002","85.891","0.002","73.728","0.002","6166.4","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H110 Cl24 N12 O32 P8 Tb2 -","- C64 H110 Cl24 N12 O32 P8 Tb2 -","- C128 H220 Cl48 N24 O64 P16 Tb4 -","2","1","","Tang, Si-Fu; Lorbeer, Chantal; Wang, Xinjiao; Ghosh, Pushpal; Mudring, Anja-Verena","Highly luminescent salts containing well-shielded lanthanide-centered complex anions and bulky imidazolium countercations.","Inorganic chemistry","2014","53","17","9027","9035","10.1021/ic500979p","","","0.71073","MoKα","","0.0855","0.0503","","","0.1318","0.146","","","","","","1.055","","","","has coordinates,has disorder","179509","2020-10-21","18:00:00",""
"4340656","21.1268","0.0002","10.28491","0.00011","35.4103","0.0004","90","","90","","90","","7694.21","0.14","110","2","110","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C33 H42 B2 Cu2 F8 N6 O S2 -","- C33 H42 B2 Cu2 F8 N6 O S2 -","- C264 H336 B16 Cu16 F64 N48 O8 S16 -","8","2","","Ording-Wenker, Erica C M; van der Plas, Martijn; Siegler, Maxime A.; Bonnet, Sylvestre; Bickelhaupt, F. Matthias; Fonseca Guerra, Célia; Bouwman, Elisabeth","Thermodynamics of the Cu(II) μ-Thiolate and Cu(I) Disulfide Equilibrium: A Combined Experimental and Theoretical Study.","Inorganic chemistry","2014","53","16","8494","8504","10.1021/ic501060w","","","1.54178","CuKα","","0.0511","0.0497","","","0.1281","0.1291","","","","","","1.086","","","","has coordinates,has disorder","179509","2020-10-21","18:00:00",""
"4340657","11.8258","0.0003","12.257","0.0003","13.6442","0.0003","110.331","0.002","97.108","0.0019","108.254","0.002","1700.06","0.08","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H36 B2 Cu2 F8 N6 S2 -","- C30 H36 B2 Cu2 F8 N6 S2 -","- C60 H72 B4 Cu4 F16 N12 S4 -","2","1","","Ording-Wenker, Erica C M; van der Plas, Martijn; Siegler, Maxime A.; Bonnet, Sylvestre; Bickelhaupt, F. Matthias; Fonseca Guerra, Célia; Bouwman, Elisabeth","Thermodynamics of the Cu(II) μ-Thiolate and Cu(I) Disulfide Equilibrium: A Combined Experimental and Theoretical Study.","Inorganic chemistry","2014","53","16","8494","8504","10.1021/ic501060w","","","0.71073","MoKα","","0.0343","0.0279","","","0.0711","0.0734","","","","","","1.065","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340658","11.3108","0.0005","28.842","0.0011","11.9924","0.0004","90","","104.604","0.004","90","","3785.8","0.3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 B2 Cu2 F8 N6 S2 -","- C32 H40 B2 Cu2 F8 N6 S2 -","- C128 H160 B8 Cu8 F32 N24 S8 -","4","1","","Ording-Wenker, Erica C M; van der Plas, Martijn; Siegler, Maxime A.; Bonnet, Sylvestre; Bickelhaupt, F. Matthias; Fonseca Guerra, Célia; Bouwman, Elisabeth","Thermodynamics of the Cu(II) μ-Thiolate and Cu(I) Disulfide Equilibrium: A Combined Experimental and Theoretical Study.","Inorganic chemistry","2014","53","16","8494","8504","10.1021/ic501060w","","","0.71073","MoKα","","0.0595","0.0431","","","0.0995","0.1059","","","","","","1.041","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340659","7.1305","0.0009","7.2635","0.0009","12.7304","0.0017","88.779","0.002","78.166","0.002","72.008","0.002","613.14","0.14","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H40 P2 -","- C26 H40 P2 -","- C26 H40 P2 -","1","0.5","","Comanescu, Cezar C.; Iluc, Vlad M.","Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes.","Inorganic chemistry","2014","53","16","8517","8528","10.1021/ic5010566","","","0.71073","MoKα","","0.0288","0.0271","","","0.0706","0.0721","","","","","","1.084","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340660","10.3224","0.0008","15.9598","0.0013","16.8281","0.0014","90","","102.437","0.001","90","","2707.3","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Cl2 P2 Pd -","- C25 H38 Cl2 P2 Pd -","- C100 H152 Cl8 P8 Pd4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes.","Inorganic chemistry","2014","53","16","8517","8528","10.1021/ic5010566","","","0.71073","MoKα","","0.0687","0.0532","","","0.0866","0.0903","","","","","","1.165","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340661","9.3254","0.0011","11.7802","0.0013","30.612","0.004","90","","91.014","0.002","90","","3362.4","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 Cl2 O4 P2 Pd -","- C30 H46 Cl2 O4 P2 Pd -","- C120 H184 Cl8 O16 P8 Pd4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes.","Inorganic chemistry","2014","53","16","8517","8528","10.1021/ic5010566","","","0.71073","MoKα","","0.0496","0.032","","","0.0637","0.0674","","","","","","1.029","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340662","9.472","0.0007","13.5331","0.0011","20.7908","0.0018","90","","94.265","0.002","90","","2657.7","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Cl2 P2 Pd -","- C26 H40 Cl2 P2 Pd -","- C104 H160 Cl8 P8 Pd4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes.","Inorganic chemistry","2014","53","16","8517","8528","10.1021/ic5010566","","","0.71073","MoKα","","0.0321","0.0231","","","0.0484","0.0504","","","","","","1.02","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340663","10.4111","0.0015","12.9808","0.0018","14.58","0.002","90","","102.458","0.002","90","","1924","0.5","120","2","120","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C38 H55 Cl2 O4 P2 Pd -","- C38 H55 Cl2 O4 P2 Pd -","- C76 H110 Cl4 O8 P4 Pd2 -","2","0.5","","Comanescu, Cezar C.; Iluc, Vlad M.","Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes.","Inorganic chemistry","2014","53","16","8517","8528","10.1021/ic5010566","","","0.71073","MoKα","","0.0495","0.0443","","","0.0977","0.1","","","","","","1.185","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340664","13.054","0.003","15.323","0.003","18.24","0.004","90","","93.755","0.006","90","","3640.6","1.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 O P2 Pd -","- C42 H52 O P2 Pd -","- C168 H208 O4 P8 Pd4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes.","Inorganic chemistry","2014","53","16","8517","8528","10.1021/ic5010566","","","0.71073","MoKα","","0.0801","0.0493","","","0.1007","0.1135","","","","","","1.035","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340665","9.8272","0.0004","18.7287","0.0009","10.3022","0.0005","90","","90.438","0.002","90","","1896.07","0.15","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H54 O P2 Pd -","- C43 H54 O P2 Pd -","- C86 H108 O2 P4 Pd2 -","2","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes.","Inorganic chemistry","2014","53","16","8517","8528","10.1021/ic5010566","","","0.71073","MoKα","","0.0238","0.0217","","","0.0453","0.0462","","","","","","1.03","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340666","17.0147","0.0014","17.9627","0.0015","20.3387","0.0017","90","","90","","90","","6216.1","0.9","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H48 B F4 P2 Rh -","- C33 H48 B F4 P2 Rh -","- C264 H384 B8 F32 P16 Rh8 -","8","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes.","Inorganic chemistry","2014","53","16","8517","8528","10.1021/ic5010566","","","0.71073","MoKα","","0.0437","0.0275","","","0.0588","0.0641","","","","","","1.02","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340667","19.7619","0.0012","13.7004","0.0009","19.9613","0.0013","90","","112.364","0.001","90","","4997.9","0.6","120","2","120","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C50 H76 P4 Pd2 -","- C50 H76 P4 Pd2 -","- C200 H304 P16 Pd8 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes.","Inorganic chemistry","2014","53","16","8517","8528","10.1021/ic5010566","","","0.71073","MoKα","","0.0927","0.061","","","0.1128","0.125","","","","","","1.019","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340668","11.089","0.003","14.971","0.004","15.505","0.004","90","","102.693","0.004","90","","2511.1","1.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 P2 Pd -","- C26 H40 P2 Pd -","- C104 H160 P8 Pd4 -","4","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes.","Inorganic chemistry","2014","53","16","8517","8528","10.1021/ic5010566","","","0.71073","MoKα","","0.0235","0.0212","","","0.0563","0.0575","","","","","","1.081","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340669","10.9023","0.0004","11.668","0.0004","16.3181","0.0006","80.534","0.001","83.749","0.001","68.302","0.001","1899.83","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H52 Br N O2 P2 Pd -","- C39 H52 Br N O2 P2 Pd -","- C78 H104 Br2 N2 O4 P4 Pd2 -","2","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes.","Inorganic chemistry","2014","53","16","8517","8528","10.1021/ic5010566","","","0.71073","MoKα","","0.0312","0.0261","","","0.063","0.0651","","","","","","1.062","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340670","9.2181","0.0002","9.2181","0.0002","9.2181","0.0002","90","","90","","90","","783.29","0.03","293","2","293","2","","","","","","","","3","P n -3","-P 2ab 2bc 3","201","","","","- Bi3 Cr2.91 O11 -","- Bi2.9998 Cr2.907 O11 -","- Bi11.9992 Cr11.628 O44 -","4","","","Yi, Wei; Matsushita, Yoshitaka; Sato, Akira; Kosuda, Kosuke; Yoshitake, Michiko; Belik, Alexei A.","Bi3Cr2.91O11: A Ferromagnetic Insulator from Cr(4+)/Cr(5+) Mixing.","Inorganic chemistry","2014","53","16","8362","8366","10.1021/ic500773b","","","0.71073","MoKα","","0.0419","0.0316","","","0.0625","0.0652","","","","","","1.144","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340671","10.8318","0.0005","14.4441","0.0007","15.3636","0.0008","115.787","0.002","91.353","0.003","90.503","0.003","2163.26","0.19","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H63 Br N4 Si7 U -","- C21 H63 Br N4 Si7 U -","- C42 H126 Br2 N8 Si14 U2 -","2","1","","Mullane, Kimberly C.; Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Anomalous one-electron processes in the chemistry of uranium nitrogen multiple bonds.","Inorganic chemistry","2014","53","17","9129","9139","10.1021/ic501149u","","","0.71073","MoKα","","0.1002","0.0795","","","0.2036","0.2165","","","","","","1.048","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340672","10.5302","0.0003","15.0003","0.0005","15.5426","0.0006","62.862","0.002","88.96","0.002","89.721","0.002","2184.4","0.13","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H63 Cl N4 Si7 U -","- C21 H63 Cl N4 Si7 U -","- C42 H126 Cl2 N8 Si14 U2 -","2","1","","Mullane, Kimberly C.; Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Anomalous one-electron processes in the chemistry of uranium nitrogen multiple bonds.","Inorganic chemistry","2014","53","17","9129","9139","10.1021/ic501149u","","","0.71073","MoKα","","0.1295","0.1034","","","0.2855","0.3016","","","","","","1.102","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340673","12.3541","0.0006","15.0685","0.0007","17.6012","0.0009","69.793","0.002","86.592","0.002","76.213","0.002","2985.4","0.3","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C97 H174 N8 O2 P2 Si14 U2 -","- C97 H174 N8 O2 P2 Si14 U2 -","- C97 H174 N8 O2 P2 Si14 U2 -","1","0.5","","Mullane, Kimberly C.; Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Anomalous one-electron processes in the chemistry of uranium nitrogen multiple bonds.","Inorganic chemistry","2014","53","17","9129","9139","10.1021/ic501149u","","","0.71073","MoKα","","0.0354","0.0318","","","0.0776","0.0808","","","","","","1.052","","","","has coordinates,has disorder","179509","2020-10-21","18:00:00",""
"4340674","14.5991","0.001","14.5991","0.001","46.38","0.004","90","","90","","120","","8560.8","1.1","143","1","143","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C37 H69 N4 Si6 U -","- C37 H69 N4 Si6 U -","- C222 H414 N24 Si36 U6 -","6","0.333333","","Mullane, Kimberly C.; Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Anomalous one-electron processes in the chemistry of uranium nitrogen multiple bonds.","Inorganic chemistry","2014","53","17","9129","9139","10.1021/ic501149u","","","0.71073","MoKα","","0.0415","0.0278","","","0.0795","0.0923","","","","","","0.635","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340675","19.4433","0.0007","19.632","0.0007","23.2293","0.0008","90","","90","","90","","8866.9","0.5","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H69 K N4 Si7 U -","- C27 H69 K N4 Si7 U -","- C216 H552 K8 N32 Si56 U8 -","8","1","","Mullane, Kimberly C.; Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Anomalous one-electron processes in the chemistry of uranium nitrogen multiple bonds.","Inorganic chemistry","2014","53","17","9129","9139","10.1021/ic501149u","","","0.71073","MoKα","","0.0399","0.0254","","","0.0507","0.0595","","","","","","1.221","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340676","11.3141","0.001","12.8177","0.0011","16.7339","0.0015","89.929","0.004","73.205","0.004","85.968","0.004","2317","0.4","143","1","143","1","","","","","","","","8","P -1","-P 1","2","","","","- C37 H35 F20 K N4 O Si3 U -","- C37 H35 F20 K N4 O Si3 U -","- C74 H70 F40 K2 N8 O2 Si6 U2 -","2","1","","Mullane, Kimberly C.; Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Anomalous one-electron processes in the chemistry of uranium nitrogen multiple bonds.","Inorganic chemistry","2014","53","17","9129","9139","10.1021/ic501149u","","","0.71073","MoKα","","0.0458","0.0356","","","0.0793","0.0857","","","","","","1.096","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340677","18.005","0.0008","12.6438","0.0005","17.3269","0.0007","90","","103.728","0.002","90","","3831.8","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H66 N4 Si7 U -","- C22 H66 N4 Si7 U -","- C88 H264 N16 Si28 U4 -","4","1","","Mullane, Kimberly C.; Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Anomalous one-electron processes in the chemistry of uranium nitrogen multiple bonds.","Inorganic chemistry","2014","53","17","9129","9139","10.1021/ic501149u","","","0.71073","MoKα","","0.0177","0.0141","","","0.0318","0.0332","","","","","","1.04","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340678","10.571","0.003","12.385","0.003","19.357","0.005","85.768","0.01","76.166","0.011","68.348","0.01","2286.8","1.1","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 F20 N4 Si4 U -","- C36 H36 F20 N4 Si4 U -","- C72 H72 F40 N8 Si8 U2 -","2","1","","Mullane, Kimberly C.; Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Anomalous one-electron processes in the chemistry of uranium nitrogen multiple bonds.","Inorganic chemistry","2014","53","17","9129","9139","10.1021/ic501149u","","","0.71073","MoKα","","0.0372","0.0304","","","0.0923","0.0974","","","","","","1.301","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340679","11.9737","0.0006","12.0121","0.0006","12.869","0.0006","72.059","0.002","85.715","0.002","75.695","0.003","1706.33","0.15","143","1","143","1","","","","","","","","8","P -1","-P 1","2","","","","- C58 H74 F20 K N4 O10 Si2 U -","- C58 H74 F20 K N4 O10 Si2 U -","- C58 H74 F20 K N4 O10 Si2 U -","1","0.5","","Mullane, Kimberly C.; Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Anomalous one-electron processes in the chemistry of uranium nitrogen multiple bonds.","Inorganic chemistry","2014","53","17","9129","9139","10.1021/ic501149u","","","0.71073","MoKα","","0.0372","0.0336","","","0.0709","0.0721","","","","","","1.156","","","","has coordinates,has disorder","179509","2020-10-21","18:00:00",""
"4340680","12.1664","0.0005","14.2391","0.0006","20.5772","0.0009","106.649","0.002","100.783","0.002","104.004","0.002","3185.3","0.2","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C105 H194 K2 N8 O6 Si12 U2 -","- C105 H194 K2 N8 O6 Si12 U2 -","- C105 H194 K2 N8 O6 Si12 U2 -","1","0.5","","Mullane, Kimberly C.; Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Anomalous one-electron processes in the chemistry of uranium nitrogen multiple bonds.","Inorganic chemistry","2014","53","17","9129","9139","10.1021/ic501149u","","","0.71073","MoKα","","0.0174","0.0156","","","0.0431","0.0479","","","","","","1.167","","","","has coordinates,has disorder","179509","2020-10-21","18:00:00",""
"4340681","8.9333","0.0002","15.9959","0.0004","16.2969","0.0003","79.369","0.001","86.275","0.001","82.513","0.001","2267.28","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H68 Cu3 Gd N9 O21.5 -","- C30.5 H68 Cu3 Gd N9 O21.5 -","- C61 H136 Cu6 Gd2 N18 O43 -","2","1","","Kettles, Fraser J.; Milway, Victoria A.; Tuna, Floriana; Valiente, Rafael; Thomas, Lynne H.; Wernsdorfer, Wolfgang; Ochsenbein, Stefan T.; Murrie, Mark","Exchange Interactions at the Origin of Slow Relaxation of the Magnetization in {TbCu3} and {DyCu3} Single-Molecule Magnets.","Inorganic chemistry","2014","53","17","8970","8978","10.1021/ic500885r","","","0.71073","MoKα","","0.0443","0.0398","","","","0.0903","","","","","","1.164","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340682","8.9334","0.0002","16.0024","0.0004","16.3048","0.0004","78.919","0.001","86.492","0.001","82.839","0.002","2267.91","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H68 Cu3 N9 O21.5 Tb -","- C30.5 H68 Cu3 N9 O21.5 Tb -","- C61 H136 Cu6 N18 O43 Tb2 -","2","1","","Kettles, Fraser J.; Milway, Victoria A.; Tuna, Floriana; Valiente, Rafael; Thomas, Lynne H.; Wernsdorfer, Wolfgang; Ochsenbein, Stefan T.; Murrie, Mark","Exchange Interactions at the Origin of Slow Relaxation of the Magnetization in {TbCu3} and {DyCu3} Single-Molecule Magnets.","Inorganic chemistry","2014","53","17","8970","8978","10.1021/ic500885r","","","0.71073","MoKα","","0.055","0.0364","","","","0.0797","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340683","8.9331","0.0003","15.976","0.0006","16.3223","0.0006","79.003","0.002","86.363","0.002","82.688","0.002","2266.23","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30.5 H68 Cu3 Dy N9 O21.5 -","- C30.5 H68 Cu3 Dy N9 O21.5 -","- C61 H136 Cu6 Dy2 N18 O43 -","2","1","","Kettles, Fraser J.; Milway, Victoria A.; Tuna, Floriana; Valiente, Rafael; Thomas, Lynne H.; Wernsdorfer, Wolfgang; Ochsenbein, Stefan T.; Murrie, Mark","Exchange Interactions at the Origin of Slow Relaxation of the Magnetization in {TbCu3} and {DyCu3} Single-Molecule Magnets.","Inorganic chemistry","2014","53","17","8970","8978","10.1021/ic500885r","","","0.71073","MoKα","","0.0586","0.0395","","","","0.1005","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340684","8.9168","0.0002","16.6076","0.0003","9.7099","0.0002","90","","96.868","0.001","90","","1427.59","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Cu2 N6 O14 -","- C20 H46 Cu2 N6 O14 -","- C40 H92 Cu4 N12 O28 -","2","0.5","","Kettles, Fraser J.; Milway, Victoria A.; Tuna, Floriana; Valiente, Rafael; Thomas, Lynne H.; Wernsdorfer, Wolfgang; Ochsenbein, Stefan T.; Murrie, Mark","Exchange Interactions at the Origin of Slow Relaxation of the Magnetization in {TbCu3} and {DyCu3} Single-Molecule Magnets.","Inorganic chemistry","2014","53","17","8970","8978","10.1021/ic500885r","","","0.71073","MoKα","","0.0209","0.0191","","","","0.0513","","","","","","1.059","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340685","28.5077","0.0012","13.4136","0.0004","18.178","0.0007","90","","106.675","0.004","90","","6658.8","0.5","105","7","105","7","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H70 Cd N4 O12 S2 -","- C69.999 H70 Cd N4 O12 S2 -","- C279.996 H280 Cd4 N16 O48 S8 -","4","0.5","","Wang, Lei; Li, Yan-An; Yang, Fan; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","Cd(II)-MOF: Adsorption, Separation, and Guest-Dependent Luminescence for Monohalobenzenes.","Inorganic chemistry","2014","53","17","9087","9094","10.1021/ic501100p","","","0.71073","MoKα","","0.0647","0.0551","","","0.1537","0.1626","","","","","","1.062","","","","has coordinates,has disorder","179509","2020-10-21","18:00:00",""
"4340686","28.561","0.002","13.4161","0.0005","18.0696","0.0008","90","","106.976","0.004","90","","6622.2","0.6","99.93","0.16","99.93","0.16","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H62.5 Cd I1.5 N4 O10.5 S2 -","- C71 H62.5 Cd I1.5 N4 O10.5 S2 -","- C284 H250 Cd4 I6 N16 O42 S8 -","4","0.5","","Wang, Lei; Li, Yan-An; Yang, Fan; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","Cd(II)-MOF: Adsorption, Separation, and Guest-Dependent Luminescence for Monohalobenzenes.","Inorganic chemistry","2014","53","17","9087","9094","10.1021/ic501100p","","","0.71073","MoKα","","0.0723","0.0601","","","0.1523","0.1646","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340687","28.6004","0.001","13.4741","0.0003","18.3173","0.0008","90","","107.463","0.004","90","","6733.5","0.4","119.99","0.11","119.99","0.11","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H64 Br2 Cd N4 O10 S2 -","- C74 H64 Br2 Cd N4 O10 S2 -","- C296 H256 Br8 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Li, Yan-An; Yang, Fan; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","Cd(II)-MOF: Adsorption, Separation, and Guest-Dependent Luminescence for Monohalobenzenes.","Inorganic chemistry","2014","53","17","9087","9094","10.1021/ic501100p","","","0.71073","MoKα","","0.1038","0.0824","","","0.2076","0.2274","","","","","","1.04","","","","has coordinates,has disorder","179509","2020-10-21","18:00:00",""
"4340688","28.5373","0.0007","13.5012","0.0003","18.2192","0.0004","90","","107.342","0.002","90","","6700.5","0.3","119.97","0.13","119.97","0.13","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H59 Cd Cl N4 O10 S2 -","- C68 H59 Cd Cl N4 O10 S2 -","- C272 H236 Cd4 Cl4 N16 O40 S8 -","4","0.5","","Wang, Lei; Li, Yan-An; Yang, Fan; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","Cd(II)-MOF: Adsorption, Separation, and Guest-Dependent Luminescence for Monohalobenzenes.","Inorganic chemistry","2014","53","17","9087","9094","10.1021/ic501100p","","","0.71073","MoKα","","0.0679","0.0541","","","0.1634","0.1769","","","","","","1.13","","","","has coordinates,has disorder","179509","2020-10-21","18:00:00",""
"4340689","28.3154","0.0009","13.4934","0.0004","18.3088","0.0005","90","","106.868","0.003","90","","6694.3","0.4","99.96","0.1","99.96","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H64 Cd F2 N4 O10 S2 -","- C74 H64 Cd F2 N4 O10 S2 -","- C296 H256 Cd4 F8 N16 O40 S8 -","4","0.5","","Wang, Lei; Li, Yan-An; Yang, Fan; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","Cd(II)-MOF: Adsorption, Separation, and Guest-Dependent Luminescence for Monohalobenzenes.","Inorganic chemistry","2014","53","17","9087","9094","10.1021/ic501100p","","","0.71073","MoKα","","0.0699","0.0571","","","0.1639","0.1755","","","","","","1.104","","","","has coordinates,has disorder","179509","2020-10-21","18:00:00",""
"4340690","11.1919","0.0007","19.6774","0.0012","20.8361","0.0013","90","","90","","90","","4588.7","0.5","100","","100","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H52 Ga6 N8 O Se9 -","- C24.0006 H52.0002 Ga6 N8 O Se9 -","- C96.0024 H208.001 Ga24 N32 O4 Se36 -","4","0.5","","Ewing, Sarah J.; Vaqueiro, Paz","Synthesis and characterization of inorganic-organic hybrid gallium selenides.","Inorganic chemistry","2014","53","17","8845","8847","10.1021/ic5011314","","","0.71073","MoKα","","0.0828","0.0412","","0.0861","0.0407","0.0385","","","","","","1.1044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340691","14.2095","0.0008","11.0633","0.0006","21.2998","0.0011","90","","105.253","0.003","90","","3230.5","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 Ga4 N6 Se6 -","- C18 H38 Ga4 N6 Se6 -","- C72 H152 Ga16 N24 Se24 -","4","1","","Ewing, Sarah J.; Vaqueiro, Paz","Synthesis and characterization of inorganic-organic hybrid gallium selenides.","Inorganic chemistry","2014","53","17","8845","8847","10.1021/ic5011314","","","0.71073","MoKα","","0.0774","0.0594","","0.0663","0.0549","0.053","","","","","","1.0507","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340692","18.9275","0.0009","14.7604","0.0008","20.8012","0.001","90","","106.229","0.002","90","","5579.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jb3_68","jb3_68","","- C62 H80 N8 O3 Zn -","- C62 H80 N8 O3 Zn -","- C248 H320 N32 O12 Zn4 -","4","1","","Blacquiere, Johanna M.; Pegis, Michael L.; Raugei, Simone; Kaminsky, Werner; Forget, Amélie; Cook, Sarah A.; Taguchi, Taketo; Mayer, James M.","Synthesis and reactivity of tripodal complexes containing pendant bases.","Inorganic chemistry","2014","53","17","9242","9253","10.1021/ic5013389","","","0.71073","MoKα","","0.0417","0.0313","","","0.076","0.0847","","","","","","1.042","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340693","18.9214","0.0011","14.7819","0.001","20.8249","0.0012","90","","106.269","0.003","90","","5591.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jb3_15","jb3_15","","- C62 H80 Co N8 O3 -","- C62 H80 Co N8 O3 -","- C248 H320 Co4 N32 O12 -","4","1","","Blacquiere, Johanna M.; Pegis, Michael L.; Raugei, Simone; Kaminsky, Werner; Forget, Amélie; Cook, Sarah A.; Taguchi, Taketo; Mayer, James M.","Synthesis and reactivity of tripodal complexes containing pendant bases.","Inorganic chemistry","2014","53","17","9242","9253","10.1021/ic5013389","","","0.71073","MoKα","","0.0529","0.0355","","","0.0835","0.0958","","","","","","1.037","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340694","10.4438","0.0009","18.0953","0.0016","18.3368","0.0013","101.679","0.006","90.391","0.005","102.034","0.005","3314.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","jb157","jb157","","- C51 H95 Co3 K3 N14 O11 -","- C51 H95 Co3 K3 N14 O11 -","- C102 H190 Co6 K6 N28 O22 -","2","1","","Blacquiere, Johanna M.; Pegis, Michael L.; Raugei, Simone; Kaminsky, Werner; Forget, Amélie; Cook, Sarah A.; Taguchi, Taketo; Mayer, James M.","Synthesis and reactivity of tripodal complexes containing pendant bases.","Inorganic chemistry","2014","53","17","9242","9253","10.1021/ic5013389","","","0.71073","MoKα","","0.2159","0.0753","","","0.134","0.1887","","","","","","0.978","","","","has coordinates,has disorder","179509","2020-10-21","18:00:00",""
"4340695","8.9332","0.0005","21.4229","0.0012","16.8751","0.0009","90","","90","","90","","3229.5","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","jb3_4","jb3_4","","- C27 H51 Co K N4 O9 -","- C27 H51 Co K N4 O9 -","- C108 H204 Co4 K4 N16 O36 -","4","0.5","","Blacquiere, Johanna M.; Pegis, Michael L.; Raugei, Simone; Kaminsky, Werner; Forget, Amélie; Cook, Sarah A.; Taguchi, Taketo; Mayer, James M.","Synthesis and reactivity of tripodal complexes containing pendant bases.","Inorganic chemistry","2014","53","17","9242","9253","10.1021/ic5013389","","","0.71073","MoKα","","0.0471","0.0324","","","0.071","0.0782","","","","","","1.065","","","","has coordinates,has disorder","179509","2020-10-21","18:00:00",""
"4340696","10.8407","0.0009","14.177","0.0012","18.5894","0.0016","90.611","0.004","92.259","0.004","104.275","0.003","2766","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H61 Mn N4 Ni2 O12 -","- C56 H61 Mn N4 Ni2 O12 -","- C112 H122 Mn2 N8 Ni4 O24 -","2","1","","Seth, Piya; Figuerola, Albert; Jover, Jesús; Ruiz, Eliseo; Ghosh, Ashutosh","Ferro- to Antiferromagnetic Crossover Angle in Diphenoxido- and Carboxylato-Bridged Trinuclear Ni(II)2-Mn(II) Complexes: Experimental Observations and Theoretical Rationalization.","Inorganic chemistry","2014","53","17","9296","9305","10.1021/ic501425x","","","0.71073","MoKα","","0.0575","0.0438","","","0.124","0.1341","","","","","","1.045","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340697","9.3692","0.0013","10.5173","0.0014","23.878","0.003","90.311","0.002","99.13","0.002","90.807","0.002","2322.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H50 Mn N4 Ni2 O10 -","- C51 H50 Mn N4 Ni2 O10 -","- C102 H100 Mn2 N8 Ni4 O20 -","2","1","","Seth, Piya; Figuerola, Albert; Jover, Jesús; Ruiz, Eliseo; Ghosh, Ashutosh","Ferro- to Antiferromagnetic Crossover Angle in Diphenoxido- and Carboxylato-Bridged Trinuclear Ni(II)2-Mn(II) Complexes: Experimental Observations and Theoretical Rationalization.","Inorganic chemistry","2014","53","17","9296","9305","10.1021/ic501425x","","","0.71073","MoKα","","0.0555","0.0413","","","0.1035","0.1104","","","","","","1.041","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4340698","12.004","0.005","12.166","0.005","14.238","0.005","89.107","0.005","69.512","0.005","88.037","0.005","1946.6","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H82 Mn N8 Ni4 O16 -","- C84 H82 Mn N8 Ni4 O16 -","- C84 H82 Mn N8 Ni4 O16 -","1","0.5","","Seth, Piya; Figuerola, Albert; Jover, Jesús; Ruiz, Eliseo; Ghosh, Ashutosh","Ferro- to Antiferromagnetic Crossover Angle in Diphenoxido- and Carboxylato-Bridged Trinuclear Ni(II)2-Mn(II) Complexes: Experimental Observations and Theoretical Rationalization.","Inorganic chemistry","2014","53","17","9296","9305","10.1021/ic501425x","","","0.71073","MoKα","","0.0456","0.0358","","","0.0954","0.1031","","","","","","1.035","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340699","26.902","0.004","26.902","0.004","30.673","0.006","90","","90","","120","","19225","6","293","2","293","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C30 H28 Fe N6 O2 Se9 Sn4 -","- C30 H24 Fe N6 O2 Se9 Sn4 -","- C540 H432 Fe18 N108 O36 Se162 Sn72 -","18","1","","Tang, Chunying; Wang, Fang; Lu, Jialin; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Novel One-, Two-, and Three-Dimensional Selenidostannates Templated by Iron(II) Complex Cation.","Inorganic chemistry","2014","53","17","9267","9273","10.1021/ic501381v","","","0.71073","MoKα","","0.0441","0.0406","","","0.0872","0.0991","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340700","27.055","0.005","13.391","0.003","24.756","0.005","90","","103.88","0.03","90","","8707","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 Fe2 N14 O2 Se14 Sn6 -","- C70 H56 Fe2 N14 O2 Se14 Sn6 -","- C280 H224 Fe8 N56 O8 Se56 Sn24 -","4","1","","Tang, Chunying; Wang, Fang; Lu, Jialin; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Novel One-, Two-, and Three-Dimensional Selenidostannates Templated by Iron(II) Complex Cation.","Inorganic chemistry","2014","53","17","9267","9273","10.1021/ic501381v","","","0.71073","MoKα","","0.0723","0.0456","","","0.0807","0.098","","","","","","1.124","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340701","5.9467","0.0006","19.2537","0.0016","28.013","0.002","90","","92.605","0.005","90","","3204.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 Cu2 N11 O3 -","- C31 H37 Cu2 N11 O3 -","- C124 H148 Cu8 N44 O12 -","4","1","","Jana, Subrata; Shaw, Bikash Kumar; Bhowmik, Prasanta; Harms, Klaus; Drew, Michael G. B.; Chattopadhyay, Shouvik; Saha, Shyamal Kumar","Field-Induced Ferromagnetism and Multiferroic Behavior in End-on Pseudohalide-Bridged Dinuclear Copper(II) Complexes with Tridentate Schiff Base Blocking Ligands.","Inorganic chemistry","2014","53","16","8723","8734","10.1021/ic501353g","","","0.71073","MoKα","","0.0848","0.0538","","","0.0994","0.1092","","","","","","1.069","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340702","10.4117","0.0004","14.8906","0.0006","11.9038","0.0005","90","","113.976","0.005","90","","1686.28","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cu2 N10 O2 -","- C34 H42 Cu2 N10 O2 -","- C68 H84 Cu4 N20 O4 -","2","0.5","","Jana, Subrata; Shaw, Bikash Kumar; Bhowmik, Prasanta; Harms, Klaus; Drew, Michael G. B.; Chattopadhyay, Shouvik; Saha, Shyamal Kumar","Field-Induced Ferromagnetism and Multiferroic Behavior in End-on Pseudohalide-Bridged Dinuclear Copper(II) Complexes with Tridentate Schiff Base Blocking Ligands.","Inorganic chemistry","2014","53","16","8723","8734","10.1021/ic501353g","","","0.71073","MoKα","","0.0478","0.0381","","","0.0914","0.0971","","","","","","0.937","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340703","7.756","0.0012","8.1836","0.0011","10.7113","0.0013","93.394","0.011","97.36","0.011","90.01","0.012","673.06","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cu2 N6 O2 S2 -","- C28 H26 Cu2 N6 O2 S2 -","- C28 H26 Cu2 N6 O2 S2 -","1","0.5","","Jana, Subrata; Shaw, Bikash Kumar; Bhowmik, Prasanta; Harms, Klaus; Drew, Michael G. B.; Chattopadhyay, Shouvik; Saha, Shyamal Kumar","Field-Induced Ferromagnetism and Multiferroic Behavior in End-on Pseudohalide-Bridged Dinuclear Copper(II) Complexes with Tridentate Schiff Base Blocking Ligands.","Inorganic chemistry","2014","53","16","8723","8734","10.1021/ic501353g","","","0.71073","MoKα","","0.0725","0.0354","","","0.0664","0.0724","","","","","","0.75","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340704","8.8163","0.0009","9.4155","0.0009","12.5851","0.001","70.45","0.008","89.45","0.008","68.98","0.009","911.68","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 Cu2 N10 O2 -","- C36 H46 Cu2 N10 O2 -","- C36 H46 Cu2 N10 O2 -","1","0.5","","Jana, Subrata; Shaw, Bikash Kumar; Bhowmik, Prasanta; Harms, Klaus; Drew, Michael G. B.; Chattopadhyay, Shouvik; Saha, Shyamal Kumar","Field-Induced Ferromagnetism and Multiferroic Behavior in End-on Pseudohalide-Bridged Dinuclear Copper(II) Complexes with Tridentate Schiff Base Blocking Ligands.","Inorganic chemistry","2014","53","16","8723","8734","10.1021/ic501353g","","","0.71073","MoKα","","0.0588","0.0453","","","0.1007","0.112","","","","","","0.926","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340705","19.8825","0.0003","10.138","0.0001","27.7832","0.0003","90","","95.824","0.001","90","","5571.32","0.12","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C103.8 H105.6 Cl11.6 Mo4 N12 O4 -","- C103.8 H104 Cl11.6 Mo4 N12 O4 -","- C207.6 H208 Cl23.2 Mo8 N24 O8 -","2","0.5","","Cheng, Tao; Meng, Miao; Lei, Hao; Liu, Chun Y.","Perturbation of the Charge Density between Two Bridged Mo2 Centers: The Remote Substituent Effects.","Inorganic chemistry","2014","53","17","9213","9221","10.1021/ic501313q","","","1.54178","CuKα","","0.0642","0.0549","","","0.1434","0.1507","","","","","","1.014","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340706","10.5077","0.0004","12.638","0.0006","18.173","0.0008","83.994","0.004","79.78","0.004","68.635","0.004","2209.7","0.18","255","2","255","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H64 Cl6 F12 Mo4 N12 O4 -","- C89 H62 Cl6 F12 Mo4 N12 O4 -","- C89 H62 Cl6 F12 Mo4 N12 O4 -","1","0.5","","Cheng, Tao; Meng, Miao; Lei, Hao; Liu, Chun Y.","Perturbation of the Charge Density between Two Bridged Mo2 Centers: The Remote Substituent Effects.","Inorganic chemistry","2014","53","17","9213","9221","10.1021/ic501313q","","","1.54178","CuKα","","0.0563","0.0429","","","0.1041","0.1162","","","","","","1.018","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340707","10.5213","0.0004","14.6564","0.0006","18.3112","0.0008","74.212","0.004","89.818","0.003","79.755","0.004","2670.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H102 Cl12 Mo4 N12 O10 -","- C106 H58 Cl12 Mo4 N12 O10 -","- C106 H58 Cl12 Mo4 N12 O10 -","1","0.5","","Cheng, Tao; Meng, Miao; Lei, Hao; Liu, Chun Y.","Perturbation of the Charge Density between Two Bridged Mo2 Centers: The Remote Substituent Effects.","Inorganic chemistry","2014","53","17","9213","9221","10.1021/ic501313q","","","1.54184","CuKα","","0.0445","0.0383","","","0.1017","0.1088","","","","","","0.908","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340708","11.3663","0.0004","15.0539","0.0005","17.508","0.0007","91.343","0.003","107.039","0.003","108.251","0.003","2698.17","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H62 Cl4 F36 Mo4 N12 O16 -","- C100 H62 Cl4 F36 Mo4 N12 O16 -","- C100 H62 Cl4 F36 Mo4 N12 O16 -","1","0.5","","Cheng, Tao; Meng, Miao; Lei, Hao; Liu, Chun Y.","Perturbation of the Charge Density between Two Bridged Mo2 Centers: The Remote Substituent Effects.","Inorganic chemistry","2014","53","17","9213","9221","10.1021/ic501313q","","","1.54178","CuKα","","0.0898","0.0759","","","0.1785","0.1892","","","","","","1.086","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340709","11.4198","0.0002","34.0885","0.0004","13.9385","0.0002","90","","108.783","0.002","90","","5137.07","0.14","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100 H62 Cl4 F36 Mo4 N12 O4 -","- C100 H62 Cl4 F36 Mo4 N12 O4 -","- C200 H124 Cl8 F72 Mo8 N24 O8 -","2","0.5","","Cheng, Tao; Meng, Miao; Lei, Hao; Liu, Chun Y.","Perturbation of the Charge Density between Two Bridged Mo2 Centers: The Remote Substituent Effects.","Inorganic chemistry","2014","53","17","9213","9221","10.1021/ic501313q","","","1.54178","CuKα","","0.0556","0.0439","","","0.1054","0.1124","","","","","","1.051","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340710","12.56672","0.00001","12.56672","0.00001","3.924914","0.000004","90","","90","","90","","619.832","0.0009","823","","823","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- K0.5 Li0.5 Nb5 O15 Pb2 -","- K0.5 Nb5 O15 Pb1.99997 -","- K Nb10 O30 Pb3.99994 -","2","0.125","","Lin, Kun; Rong, Yangchun; Wu, Hui; Huang, Qingzhen; You, Li; Ren, Yang; Fan, Longlong; Chen, Jun; Xing, Xianran","Ordered Structure and Thermal Expansion in Tungsten Bronze Pb2K0.5Li0.5Nb5O15.","Inorganic chemistry","2014","53","17","9174","9180","10.1021/ic501189n","powder diffraction","","1.5406","CuKα","","13.3","","","3.83","","","","7.79","3.63","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340711","35.2811","0.0003","17.96624","0.00015","7.74968","0.00006","90","","90","","90","","4912.28","0.07","300","","300","","","","","","","","","4","B b 21 m","B -2 -2b","36","Pb2K0.5Nb5O15","","","- K0.5 Nb5 O15 Pb2 -","- K0.5 Nb5 O15 Pb2 -","- K8 Nb80 O240 Pb32 -","16","2","","Lin, Kun; Rong, Yangchun; Wu, Hui; Huang, Qingzhen; You, Li; Ren, Yang; Fan, Longlong; Chen, Jun; Xing, Xianran","Ordered Structure and Thermal Expansion in Tungsten Bronze Pb2K0.5Li0.5Nb5O15.","Inorganic chemistry","2014","53","17","9174","9180","10.1021/ic501189n","powder diffraction","","1.5403","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.2529","1.96","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340712","7.2442","0.0007","8.6309","0.0011","23.855","0.003","90","","90","","90","","1491.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P n 21 a","P -2ac -2n","33","","","","- C11 H13 N3 O S4 -","- C11 H13 N3 O S4 -","- C44 H52 N12 O4 S16 -","4","1","","Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Guizouarn, Thierry; Lorcy, Dominique","Hydrogen-bonding interactions in a single-component molecular conductor: a hydroxyethyl-substituted radical gold dithiolene complex.","Inorganic chemistry","2014","53","16","8755","8761","10.1021/ic501437g","","x-ray","0.71073","MoKα","","0.0459","0.0427","","","0.1046","0.1074","","","","","","1.028","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340713","37.486","0.012","7.659","0.003","19.413","0.007","90","","97.248","0.017","90","","5529","3","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Au N3 O2 S8 -","- C18 H30 Au N3 O2 S8 -","- C144 H240 Au8 N24 O16 S64 -","8","1","","Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Guizouarn, Thierry; Lorcy, Dominique","Hydrogen-bonding interactions in a single-component molecular conductor: a hydroxyethyl-substituted radical gold dithiolene complex.","Inorganic chemistry","2014","53","16","8755","8761","10.1021/ic501437g","","x-ray","0.71073","MoKα","","0.1576","0.0835","","","0.1881","0.2345","","","","","","0.978","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340714","8.3506","0.0003","11.922","0.0006","15.0121","0.0007","103.813","0.002","103.408","0.002","103.106","0.002","1347.33","0.11","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C18 H30 Au N3 O2 S8 -","- C18 H30 Au N3 O2 S8 -","- C36 H60 Au2 N6 O4 S16 -","2","1","","Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Guizouarn, Thierry; Lorcy, Dominique","Hydrogen-bonding interactions in a single-component molecular conductor: a hydroxyethyl-substituted radical gold dithiolene complex.","Inorganic chemistry","2014","53","16","8755","8761","10.1021/ic501437g","","x-ray","0.71073","MoKα","","0.1048","0.0546","","","0.1149","0.1559","","","","","","1.039","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340715","14.2789","0.0009","4.1546","0.0003","14.3699","0.0008","90","","93.286","0.003","90","","851.07","0.09","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Au N2 O2 S8 -","- C10 H10 Au N2 O2 S8 -","- C20 H20 Au2 N4 O4 S16 -","2","0.5","","Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Guizouarn, Thierry; Lorcy, Dominique","Hydrogen-bonding interactions in a single-component molecular conductor: a hydroxyethyl-substituted radical gold dithiolene complex.","Inorganic chemistry","2014","53","16","8755","8761","10.1021/ic501437g","","x-ray","0.71073","MoKα","","0.035","0.0255","","","0.0556","0.0599","","","","","","1.09","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340718","13.4069","0.0005","11.8836","0.0004","15.0811","0.0006","90","","114.32","0.003","90","","2189.53","0.15","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl2 Co N6 -","- C20 H22 Cl2 Co N6 -","- C80 H88 Cl8 Co4 N24 -","4","1","","Rajnák, Cyril; Titiš, Ján; Fuhr, Olaf; Ruben, Mario; Boča, Roman","Single-Molecule Magnetism in a Pentacoordinate Cobalt(II) Complex Supported by an Antenna Ligand.","Inorganic chemistry","2014","53","16","8200","8202","10.1021/ic501524a","","","0.71073","MoKα","","0.0274","0.0249","","","0.0671","0.0683","","","","","","1.049","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340719","8.791","0.0005","20.233","0.001","15.2867","0.0008","90","","90.28","0.003","90","","2719","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 F3 N5 O4 S V -","- C30 H25 F3 N5 O4 S V -","- C120 H100 F12 N20 O16 S4 V4 -","4","1","","King, Amanda E.; Nippe, Michael; Atanasov, Mihail; Chantarojsiri, Teera; Wray, Curtis A.; Bill, Eckhard; Neese, Frank; Long, Jeffrey R.; Chang, Christopher J.","A Well-Defined Terminal Vanadium(III) Oxo Complex.","Inorganic chemistry","2014","53","21","11388","11395","10.1021/ic5010177","","","0.71073","MoKα","","0.1247","0.0942","","","0.198","0.2101","","","","","","1.16","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340720","14.8802","0.0005","22.0171","0.0007","21.9728","0.0007","90","","90","","90","","7198.7","0.4","100","2","100.01","","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C68 H59 F12 N13 O14 S4 V2 -","- C68 H62 F12 N13 O14 S4 V2 -","- C272 H248 F48 N52 O56 S16 V8 -","4","0.5","","King, Amanda E.; Nippe, Michael; Atanasov, Mihail; Chantarojsiri, Teera; Wray, Curtis A.; Bill, Eckhard; Neese, Frank; Long, Jeffrey R.; Chang, Christopher J.","A Well-Defined Terminal Vanadium(III) Oxo Complex.","Inorganic chemistry","2014","53","21","11388","11395","10.1021/ic5010177","","","0.71073","MoKα","","0.0272","0.0263","","","0.067","0.0679","","","","","","1.0557","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340721","12.5042","0.0007","15.842","0.0009","20.147","0.001","90","","90.8446","0.0009","90","","3990.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H34 F6 N8 O6 S2 V -","- C37 H34 F6 N8 O6 S2 V -","- C148 H136 F24 N32 O24 S8 V4 -","4","1","","King, Amanda E.; Nippe, Michael; Atanasov, Mihail; Chantarojsiri, Teera; Wray, Curtis A.; Bill, Eckhard; Neese, Frank; Long, Jeffrey R.; Chang, Christopher J.","A Well-Defined Terminal Vanadium(III) Oxo Complex.","Inorganic chemistry","2014","53","21","11388","11395","10.1021/ic5010177","","","0.71073","MoKα","","0.0688","0.0502","","","0.1267","0.1424","","","","","","1.057","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340722","19.44","0.004","7.5603","0.0015","24.644","0.005","90","","90","","90","","3622","1.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H48 Cd3 Cl10 N4 -","- C20 H48 Cd3 Cl10 N4 -","- C80 H192 Cd12 Cl40 N16 -","4","0.5","","Liao, Wei-Qiang; Mei, Guang-Quan; Ye, Heng-Yun; Mei, Ying-Xuan; Zhang, Yi","Structural Phase Transitions of a Layered Organic-Inorganic Hybrid Compound: Tetra(cyclopentylammonium) Decachlorotricadmate(II), [C5H9NH3]4Cd3Cl10.","Inorganic chemistry","2014","53","17","8913","8918","10.1021/ic500554z","","","0.71073","MoKα","","0.0758","0.0613","","","0.1621","0.1691","","","","","","1.133","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340723","7.584","0.006","24.83","0.02","19.52","0.013","90","","90","","90","","3676","5","343","2","343","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C20 H48 Cd3 Cl10 N4 -","- C20 H48 Cd3 Cl10 N4 -","- C80 H192 Cd12 Cl40 N16 -","4","","","Liao, Wei-Qiang; Mei, Guang-Quan; Ye, Heng-Yun; Mei, Ying-Xuan; Zhang, Yi","Structural Phase Transitions of a Layered Organic-Inorganic Hybrid Compound: Tetra(cyclopentylammonium) Decachlorotricadmate(II), [C5H9NH3]4Cd3Cl10.","Inorganic chemistry","2014","53","17","8913","8918","10.1021/ic500554z","","","0.71073","MoKα","","0.0674","0.0499","","","0.1468","0.1665","","","","","","1.118","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340724","7.4195","0.0014","19.498","0.004","24.118","0.005","90","","90","","90","","3489","1.2","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H48 Cd3 Cl10 N4 -","- C20 H48 Cd3 Cl10 N4 -","- C80 H192 Cd12 Cl40 N16 -","4","1","","Liao, Wei-Qiang; Mei, Guang-Quan; Ye, Heng-Yun; Mei, Ying-Xuan; Zhang, Yi","Structural Phase Transitions of a Layered Organic-Inorganic Hybrid Compound: Tetra(cyclopentylammonium) Decachlorotricadmate(II), [C5H9NH3]4Cd3Cl10.","Inorganic chemistry","2014","53","17","8913","8918","10.1021/ic500554z","","","0.71073","MoKα","","0.0421","0.0375","","","0.0847","0.0879","","","","","","1.002","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340725","9.7375","0.0006","20.8536","0.0013","16.8851","0.0011","90","","95.268","0.001","90","","3414.2","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H32 Fe2 O P2 S2 -","- C41 H32 Fe2 O P2 S2 -","- C164 H128 Fe8 O4 P8 S8 -","4","1","","Roy, Souvik; Mazinani, Shobeir K. S.; Groy, Thomas L.; Gan, Lu; Tarakeshwar, Pilarisetty; Mujica, Vladimiro; Jones, Anne K.","Catalytic Hydrogen Evolution by Fe(II) Carbonyls Featuring a Dithiolate and a Chelating Phosphine.","Inorganic chemistry","2014","53","17","8919","8929","10.1021/ic5012988","","","0.71073","MoKα","","0.046","0.0296","","","0.0653","0.0714","","","","","","1.019","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340726","10.9358","0.0018","19.445","0.003","17.386","0.003","90","","94.357","0.002","90","","3686.4","1","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 Cl3 Fe N O3 P2 S2 -","- C37 H34 Cl3 Fe N O3 P2 S2 -","- C148 H136 Cl12 Fe4 N4 O12 P8 S8 -","4","1","","Roy, Souvik; Mazinani, Shobeir K. S.; Groy, Thomas L.; Gan, Lu; Tarakeshwar, Pilarisetty; Mujica, Vladimiro; Jones, Anne K.","Catalytic Hydrogen Evolution by Fe(II) Carbonyls Featuring a Dithiolate and a Chelating Phosphine.","Inorganic chemistry","2014","53","17","8919","8929","10.1021/ic5012988","","","0.71073","MoKα","","0.0843","0.0535","","","0.1326","0.1552","","","","","","1.07","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340727","18.698","0.004","15.749","0.003","32.287","0.009","90","","90.212","0.008","90","","9508","4","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C56 H53 B Ir N3 O3 -","- C56 H53 B Ir N3 O3 -","- C448 H424 B8 Ir8 N24 O24 -","8","1","","Sharma, Sanjeev; Kim, Hyungjun; Lee, Young Hoon; Kim, Taewon; Lee, Yoon Sup; Lee, Min Hyung","Heteroleptic Cyclometalated Iridium(III) Complexes Supported by Triarylborylpicolinate Ligand: Ratiometric Turn-On Phosphorescence Response upon Fluoride Binding.","Inorganic chemistry","2014","53","16","8672","8680","10.1021/ic501286m","","","0.71073","MoKα","","0.0615","0.0411","","","0.1009","0.1189","","","","","","1.054","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340728","16.695","0.0005","9.1363","0.0002","15.1901","0.0005","90","","109.999","","90","","2177.24","0.11","103","","103","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cu F6 N3 P -","- C20 H27 Cu F6 N3 P -","- C80 H108 Cu4 F24 N12 P4 -","4","1","","Abe, Tsukasa; Morimoto, Yuma; Tano, Tetsuro; Mieda, Kaoru; Sugimoto, Hideki; Fujieda, Nobutaka; Ogura, Takashi; Itoh, Shinobu","Geometric control of nuclearity in copper(i)/dioxygen chemistry.","Inorganic chemistry","2014","53","16","8786","8794","10.1021/ic501461n","","","0.71075","MoKα","","","0.0326","","","","0.0966","","","","","","1.248","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340729","7.4178","0.0003","9.9823","0.0004","14.4429","0.0006","97.4074","0.0011","91.2319","0.001","103.157","0.001","1031.25","0.07","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H29 Cl2 Cu N3 O -","- C20 H29 Cl2 Cu N3 O -","- C40 H58 Cl4 Cu2 N6 O2 -","2","1","","Abe, Tsukasa; Morimoto, Yuma; Tano, Tetsuro; Mieda, Kaoru; Sugimoto, Hideki; Fujieda, Nobutaka; Ogura, Takashi; Itoh, Shinobu","Geometric control of nuclearity in copper(i)/dioxygen chemistry.","Inorganic chemistry","2014","53","16","8786","8794","10.1021/ic501461n","","","0.71075","MoKα","","","0.0411","","","","0.1251","","","","","","1.623","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340730","11.4341","0.0004","13.7012","0.0006","14.2858","0.0005","103.335","0.0012","107.866","0.001","107.168","0.0012","1904.01","0.13","103","","103","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 Cl2 Cu N3 -","- C19 H25 Cl2 Cu N3 -","- C76 H100 Cl8 Cu4 N12 -","4","2","","Abe, Tsukasa; Morimoto, Yuma; Tano, Tetsuro; Mieda, Kaoru; Sugimoto, Hideki; Fujieda, Nobutaka; Ogura, Takashi; Itoh, Shinobu","Geometric control of nuclearity in copper(i)/dioxygen chemistry.","Inorganic chemistry","2014","53","16","8786","8794","10.1021/ic501461n","","","0.71075","MoKα","","","0.0341","","","","0.123","","","","","","0.931","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340731","8.1408","0.0005","13.0361","0.0006","16.5531","0.001","90","","90.1188","0.0017","90","","1756.68","0.17","103","","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 Cu F6 N3 P -","- C13 H23 Cu F6 N3 P -","- C52 H92 Cu4 F24 N12 P4 -","4","1","","Abe, Tsukasa; Morimoto, Yuma; Tano, Tetsuro; Mieda, Kaoru; Sugimoto, Hideki; Fujieda, Nobutaka; Ogura, Takashi; Itoh, Shinobu","Geometric control of nuclearity in copper(i)/dioxygen chemistry.","Inorganic chemistry","2014","53","16","8786","8794","10.1021/ic501461n","","","0.71075","MoKα","","","0.0251","","","","0.0827","","","","","","1.043","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340732","7.7922","0.0007","8.7425","0.0007","14.1722","0.0014","80.575","0.003","86.35","0.003","74.451","0.003","917.37","0.14","103","","103","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H23 Cl Cu F6 N3 P -","- C13 H23 Cl Cu F6 N3 P -","- C26 H46 Cl2 Cu2 F12 N6 P2 -","2","1","","Abe, Tsukasa; Morimoto, Yuma; Tano, Tetsuro; Mieda, Kaoru; Sugimoto, Hideki; Fujieda, Nobutaka; Ogura, Takashi; Itoh, Shinobu","Geometric control of nuclearity in copper(i)/dioxygen chemistry.","Inorganic chemistry","2014","53","16","8786","8794","10.1021/ic501461n","","","0.71075","MoKα","","","0.0279","","","","0.1076","","","","","","0.92","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340733","13.3627","0.0008","14.0727","0.0008","14.7688","0.001","70.854","0.006","66.835","0.006","62.523","0.006","2228.5","0.3","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C46 H55 N7 O7 Zn2 -","- C46 H55 N7 O7 Zn2 -","- C92 H110 N14 O14 Zn4 -","2","1","","Bosch, Simone; Comba, Peter; Gahan, Lawrence R.; Schenk, Gerhard","Dinuclear Zinc(II) Complexes with Hydrogen Bond Donors as Structural and Functional Phosphatase Models.","Inorganic chemistry","2014","53","17","9036","9051","10.1021/ic5009945","","x-ray","1.5418","CuKα","","0.0563","0.049","","","0.127","0.1359","","","","","","1.051","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340734","16.8815","0.0006","13.5366","0.0005","21.8837","0.0009","90","","105.077","0.004","90","","4828.7","0.3","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H55 F6 N8 O6 P Zn2 -","- C45 H55 F6 N8 O6 P Zn2 -","- C180 H220 F24 N32 O24 P4 Zn8 -","4","1","","Bosch, Simone; Comba, Peter; Gahan, Lawrence R.; Schenk, Gerhard","Dinuclear Zinc(II) Complexes with Hydrogen Bond Donors as Structural and Functional Phosphatase Models.","Inorganic chemistry","2014","53","17","9036","9051","10.1021/ic5009945","","x-ray","1.5418","CuKα","","0.0669","0.0485","","","0.1198","0.1324","","","","","","1.018","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340735","10.2562","0.0004","12.5876","0.0005","16.7528","0.0007","89.561","0.003","74.354","0.003","74.696","0.003","2004.11","0.15","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C37 H39 F6 N6 O5 P Zn2 -","- C37 H39 F6 N6 O5 P Zn2 -","- C74 H78 F12 N12 O10 P2 Zn4 -","2","1","","Bosch, Simone; Comba, Peter; Gahan, Lawrence R.; Schenk, Gerhard","Dinuclear Zinc(II) Complexes with Hydrogen Bond Donors as Structural and Functional Phosphatase Models.","Inorganic chemistry","2014","53","17","9036","9051","10.1021/ic5009945","","x-ray","1.5418","CuKα","","0.0362","0.0303","","","0.0792","0.0847","","","","","","1.026","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340736","16.241","0.001","21.593","0.001","16.3693","0.0008","90","","100.533","0.006","90","","5643.9","0.5","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H61 F6 N8 O8 P Zn2 -","- C48.5 H60 F6 N8 O8 P Zn2 -","- C194 H240 F24 N32 O32 P4 Zn8 -","4","1","","Bosch, Simone; Comba, Peter; Gahan, Lawrence R.; Schenk, Gerhard","Dinuclear Zinc(II) Complexes with Hydrogen Bond Donors as Structural and Functional Phosphatase Models.","Inorganic chemistry","2014","53","17","9036","9051","10.1021/ic5009945","","x-ray","0.71073","MoKα","","0.0775","0.0564","","","0.152","0.1643","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340737","11.1444","0.0006","17.0144","0.0009","20.6731","0.0008","90","","90","","90","","3919.9","0.3","200","2","200","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H41 F6 N8 O5 P Zn2 -","- C37 H41 F6 N8 O5 P Zn2 -","- C148 H164 F24 N32 O20 P4 Zn8 -","4","1","","Bosch, Simone; Comba, Peter; Gahan, Lawrence R.; Schenk, Gerhard","Dinuclear Zinc(II) Complexes with Hydrogen Bond Donors as Structural and Functional Phosphatase Models.","Inorganic chemistry","2014","53","17","9036","9051","10.1021/ic5009945","","x-ray","0.71073","MoKα","","0.0629","0.0523","","","0.1185","0.1263","","","","","","1.025","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340738","14.5695","0.0006","23.3831","0.0008","17.1987","0.0005","90","","107.817","0.004","90","","5578.2","0.4","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H61 F6 N9 O11 P2 Zn2 -","- C50 H61 F6 N9 O11 P2 Zn2 -","- C200 H244 F24 N36 O44 P8 Zn8 -","4","1","","Bosch, Simone; Comba, Peter; Gahan, Lawrence R.; Schenk, Gerhard","Dinuclear Zinc(II) Complexes with Hydrogen Bond Donors as Structural and Functional Phosphatase Models.","Inorganic chemistry","2014","53","17","9036","9051","10.1021/ic5009945","","x-ray","0.71073","MoKα","","0.1115","0.0671","","","0.1291","0.1482","","","","","","1.03","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340739","17.2738","0.0006","15.8175","0.0006","14.8377","0.0005","90","","102.37","0.0004","90","","3960","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H56 N2 Ni O2 -","- C43 H56 N2 Ni O2 -","- C172 H224 N8 Ni4 O8 -","4","1","","Kramer, Wesley W.; Cameron, Lindsay A.; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Donor-Acceptor Ligand-to-Ligand Charge-Transfer Coordination Complexes of Nickel(II).","Inorganic chemistry","2014","53","16","8825","8837","10.1021/ic5017214","","","0.71073","MoKα","","0.0503","0.0408","","","0.1059","0.1127","","","","","","1.04","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340740","11.4199","0.0004","26.3839","0.0008","26.4205","0.0008","90","","90","","90","","7960.5","0.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H53 N2 Ni O2.5 -","- C46 H53 N2 Ni O2.5 -","- C368 H424 N16 Ni8 O20 -","8","1","","Kramer, Wesley W.; Cameron, Lindsay A.; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Donor-Acceptor Ligand-to-Ligand Charge-Transfer Coordination Complexes of Nickel(II).","Inorganic chemistry","2014","53","16","8825","8837","10.1021/ic5017214","","","0.71073","MoKα","","0.0686","0.0393","","","0.1034","0.1115","","","","","","0.983","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340741","13.8202","0.001","20.1252","0.0015","14.9286","0.0011","90","","114.254","0.0009","90","","3785.7","0.5","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H50 N2 Ni O2 -","- C46 H50 N2 Ni O2 -","- C184 H200 N8 Ni4 O8 -","4","1","","Kramer, Wesley W.; Cameron, Lindsay A.; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Donor-Acceptor Ligand-to-Ligand Charge-Transfer Coordination Complexes of Nickel(II).","Inorganic chemistry","2014","53","16","8825","8837","10.1021/ic5017214","","","0.71073","MoKα","","0.0587","0.0429","","","0.1051","0.1146","","","","","","1.013","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340742","11.2584","0.0005","24.1938","0.0011","11.7558","0.0005","90","","98.99","0.001","90","","3162.8","0.2","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 Cl7 N2 Ni O2 -","- C29 H29 Cl7 N2 Ni O2 -","- C116 H116 Cl28 N8 Ni4 O8 -","4","1","","Kramer, Wesley W.; Cameron, Lindsay A.; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Donor-Acceptor Ligand-to-Ligand Charge-Transfer Coordination Complexes of Nickel(II).","Inorganic chemistry","2014","53","16","8825","8837","10.1021/ic5017214","","","0.71073","MoKα","","0.0286","0.024","","","0.0604","0.0628","","","","","","1.039","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340743","12.4095","0.0008","17.2423","0.0012","17.1607","0.0012","90","","103.456","0.001","90","","3571","0.4","141","2","141","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Cl4 N2 Ni O3 -","- C40 H36 Cl4 N2 Ni O3 -","- C160 H144 Cl16 N8 Ni4 O12 -","4","1","","Kramer, Wesley W.; Cameron, Lindsay A.; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Donor-Acceptor Ligand-to-Ligand Charge-Transfer Coordination Complexes of Nickel(II).","Inorganic chemistry","2014","53","16","8825","8837","10.1021/ic5017214","","","0.71073","MoKα","","0.0362","0.0287","","","0.0766","0.0791","","","","","","1.048","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340744","13.6879","0.0008","19.9173","0.0012","15.129","0.0009","90","","104.272","0.0007","90","","3997.3","0.4","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Cl8 N2 Ni O2 -","- C40 H34 Cl8 N2 Ni O2 -","- C160 H136 Cl32 N8 Ni4 O8 -","4","1","","Kramer, Wesley W.; Cameron, Lindsay A.; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Donor-Acceptor Ligand-to-Ligand Charge-Transfer Coordination Complexes of Nickel(II).","Inorganic chemistry","2014","53","16","8825","8837","10.1021/ic5017214","","","0.71073","MoKα","","0.0434","0.0367","","","0.0898","0.0941","","","","","","1.038","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340745","11.5185","0.0007","14.8995","0.0009","17.7806","0.001","90","","91.4097","0.0007","90","","3050.6","0.3","88","2","88","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N2 Ni O2 -","- C36 H36 N2 Ni O2 -","- C144 H144 N8 Ni4 O8 -","4","1","","Kramer, Wesley W.; Cameron, Lindsay A.; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Donor-Acceptor Ligand-to-Ligand Charge-Transfer Coordination Complexes of Nickel(II).","Inorganic chemistry","2014","53","16","8825","8837","10.1021/ic5017214","","","0.71073","MoKα","","0.0644","0.0495","","","0.1144","0.1257","","","","","","1.037","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340746","17.5572","0.0017","23.26","0.002","8.5639","0.0008","90","","109.244","0.0012","90","","3301.9","0.5","88","2","88","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 N2 Ni O2 -","- C44 H36 N2 Ni O2 -","- C176 H144 N8 Ni4 O8 -","4","0.5","","Kramer, Wesley W.; Cameron, Lindsay A.; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Donor-Acceptor Ligand-to-Ligand Charge-Transfer Coordination Complexes of Nickel(II).","Inorganic chemistry","2014","53","16","8825","8837","10.1021/ic5017214","","","0.71073","MoKα","","0.0469","0.039","","","0.1014","0.1067","","","","","","1.072","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340747","11.7093","0.0006","19.2228","0.001","20.4554","0.0011","105.105","0.0007","103.024","0.0007","107.297","0.0007","4008.5","0.4","88","2","88","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H39.5 N2 Ni O2 -","- C47.5 H39.5 N2 Ni O2 -","- C190 H158 N8 Ni4 O8 -","4","2","","Kramer, Wesley W.; Cameron, Lindsay A.; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Donor-Acceptor Ligand-to-Ligand Charge-Transfer Coordination Complexes of Nickel(II).","Inorganic chemistry","2014","53","16","8825","8837","10.1021/ic5017214","","","0.71073","MoKα","","0.0565","0.0402","","","0.0975","0.1047","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340748","9.63","0.0019","6.984","0.0014","8.2879","0.0016","90","","106.317","0.002","90","","534.96","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lanthanum tellurite sulfate","","","- La2 O13 S2 Te2 -","- La2 O13 S2 Te2 -","- La4 O26 S4 Te4 -","2","0.5","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0486","0.0391","","","0.088","0.0923","","","","","","1.077","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340749","9.597","0.003","6.9391","0.0018","8.248","0.002","90","","106.452","0.003","90","","526.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cerium tellurite sulfate","","","- Ce2 O13 S2 Te2 -","- Ce2 O13 S2 Te2 -","- Ce4 O26 S4 Te4 -","2","0.5","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0537","0.0424","","","0.1178","0.1237","","","","","","1.065","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340750","9.575","0.005","6.934","0.004","8.212","0.004","90","","106.64","0.005","90","","522.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Praseodymium tellurite sulfate","","","- O13 Pr2 S2 Te2 -","- O13 Pr2 S2 Te2 -","- O26 Pr4 S4 Te4 -","2","0.5","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.039","0.039","","","0.095","0.0951","","","","","","1.107","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340751","9.5838","0.0005","6.8832","0.0004","8.1783","0.0005","90","","106.758","0.001","90","","516.59","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Neodymium tellurite sulfate","","","- Nd2 O13 S2 Te2 -","- Nd2 O13 S2 Te2 -","- Nd4 O26 S4 Te4 -","2","0.5","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0378","0.0376","","","0.0968","0.0969","","","","","","1.093","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340752","9.5721","0.0007","6.8269","0.0005","8.0964","0.0006","90","","106.984","0.001","90","","506.01","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Samarium tellurite sulfate","","","- O13 S2 Sm2 Te2 -","- O13 S2 Sm2 Te2 -","- O26 S4 Sm4 Te4 -","2","0.5","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0384","0.0376","","","0.0888","0.0892","","","","","","1.194","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340753","9.5815","0.0018","6.8132","0.0013","8.0687","0.0015","90","","107.113","0.002","90","","503.41","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Europium tellurite sulfate","","","- Eu2 O13 S2 Te2 -","- Eu2 O13 S2 Te2 -","- Eu4 O26 S4 Te4 -","2","0.5","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0656","0.0512","","","0.1328","0.1394","","","","","","1.057","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340754","9.5855","0.0009","6.7774","0.0006","7.9941","0.0008","90","","107.688","0.002","90","","494.78","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Gadolinium tellurite sulfate","","","- Gd2 O13 S2 Te2 -","- Gd2 O13 S2 Te2 -","- Gd4 O26 S4 Te4 -","2","0.5","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0473","0.0351","","","0.0759","0.0794","","","","","","1.228","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340755","9.612","0.0005","6.7491","0.0004","7.9564","0.0004","90","","107.934","0.001","90","","491.07","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Terbium tellurite sulfate","","","- O13 S2 Tb2 Te2 -","- O13 S2 Tb2 Te2 -","- O26 S4 Tb4 Te4 -","2","0.5","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0501","0.0456","","","0.0923","0.0951","","","","","","1.276","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340756","5.4548","0.0004","15.3443","0.001","8.0291","0.0005","90","","99.492","0.001","90","","662.84","0.08","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Holmium tellurite sulfate","","","- H0 Ho3 O16 S2 Te2 -","- Ho3 O16 S2 Te2 -","- Ho6 O32 S4 Te4 -","2","0.5","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0241","0.0239","","","0.0603","0.0604","","","","","","1.137","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340757","5.3523","0.0009","8.2283","0.0014","12.341","0.002","90.774","0.002","101.525","0.002","103.895","0.003","515.88","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Dysprosium tellurite sulfate","","","- Dy2 O13 S2 Te -","- Dy2 O13 S2 Te -","- Dy4 O26 S4 Te2 -","2","1","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0315","0.0267","","","0.0643","0.066","","","","","","1.047","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340758","5.3462","0.0007","8.2012","0.0011","12.3034","0.0017","90.719","0.001","101.505","0.002","103.809","0.002","512.3","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Holmium tellurite sulfate","","","- Ho2 O13 S2 Te -","- Ho2 O13 S2 Te -","- Ho4 O26 S4 Te2 -","2","1","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.037","0.0297","","","0.0681","0.0707","","","","","","1.041","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340759","5.332","0.003","8.155","0.005","12.264","0.008","90.522","0.009","101.425","0.009","103.814","0.009","506.7","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Erbium tellurite sulfate","","","- Er2 O13 S2 Te -","- Er2 O13 S2 Te -","- Er4 O26 S4 Te2 -","2","1","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.1164","0.0771","","","0.1851","0.204","","","","","","1.029","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340760","5.3243","0.0011","8.2705","0.0017","13.22","0.003","89.007","0.002","87.485","0.002","72.328","0.002","554.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Erbium tellurite sulfate","","","- Er2 O13 S2 Te2 -","- Er2 O13 S2 Te2 -","- Er4 O26 S4 Te4 -","2","1","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0382","0.0337","","","0.0848","0.1086","","","","","","1.144","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340761","5.2912","0.0004","8.2255","0.0006","13.1589","0.0009","89.005","0.002","87.641","0.001","72.333","0.001","545.23","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Thulium tellurite sulfate","","","- O13 S2 Te2 Tm2 -","- O13 S2 Te2 Tm2 -","- O26 S4 Te4 Tm4 -","2","1","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.024","0.02","","","0.0459","0.047","","","","","","1.119","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340762","5.3243","0.0006","8.2148","0.0009","13.2547","0.0014","88.415","0.001","87.272","0.001","72.241","0.001","551.43","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Ytterbium tellurite sulfate","","","- O13 S2 Te2 Yb2 -","- O13 S2 Te2 Yb2 -","- O26 S4 Te4 Yb4 -","2","1","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0193","0.0186","","","0.0457","0.0461","","","","","","1.176","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340763","5.289","0.003","8.193","0.005","13.144","0.008","89.033","0.006","87.531","0.006","72.455","0.006","542.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Lutetium tellurite sulfate","","","- Lu2 O13 S2 Te2 -","- Lu2 O13 S2 Te2 -","- Lu4 O26 S4 Te4 -","2","1","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0268","0.0252","","","0.0595","0.0606","","","","","","1.15","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340764","6.8584","0.0008","9.3454","0.0011","9.92","0.0012","89.744","0.002","72.406","0.002","87.498","0.002","605.47","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Gadolinium tellurite sulfate","","","- Gd2 O14 S Te4 -","- Gd2 O14 S Te4 -","- Gd4 O28 S2 Te8 -","2","1","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0303","0.0239","","","0.05","0.0527","","","","","","1.053","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340765","6.8248","0.0005","9.3245","0.0006","9.8785","0.0007","89.855","0.001","72.443","0.001","87.953","0.001","598.96","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Dysprosium tellurite sulfate","","","- Dy2 O14 S Te4 -","- Dy2 O14 S Te4 -","- Dy4 O28 S2 Te8 -","2","1","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0218","0.0178","","","0.0388","0.0401","","","","","","1.048","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340766","6.8115","0.0003","9.3149","0.0005","9.8627","0.0005","89.887","0.001","72.497","0.001","88.139","0.001","596.47","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Holmium tellurite sulfate","","","- Ho2 O14 S Te4 -","- Ho2 O14 S Te4 -","- Ho4 O28 S2 Te8 -","2","1","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0171","0.0163","","","0.0406","0.0411","","","","","","1.143","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340767","6.7819","0.0017","9.259","0.002","9.838","0.003","89.901","0.005","72.535","0.004","88.596","0.005","589.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Erbium tellurite sulfate","","","- Er2 O14 S Te4 -","- Er2 O14 S Te4 -","- Er4 O28 S2 Te8 -","2","1","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0208","0.0194","","","0.0478","0.0485","","","","","","1.099","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340768","6.7692","0.0006","9.2956","0.0008","9.8114","0.0008","89.932","0.002","72.498","0.001","88.385","0.002","588.54","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Thulium tellurite sulfate","","","- O14 S Te4 Tm2 -","- O14 S Te4 Tm2 -","- O28 S2 Te8 Tm4 -","2","1","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0527","0.0336","","","0.0529","0.0736","","","","","","1.102","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340769","6.7434","0.0005","9.2433","0.0007","9.7798","0.0008","89.937","0.002","72.493","0.002","88.825","0.002","581.22","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Ytterbium tellurite sulfate","","","- O14 S Te4 Yb2 -","- O14 S Te4 Yb2 -","- O28 S2 Te8 Yb4 -","2","1","","Lin, Jian; Diefenbach, Kariem; Kikugawa, Naoki; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E","Dimensional and coordination number reductions in a large family of lanthanide tellurite sulfates.","Inorganic chemistry","2014","53","16","8555","8564","10.1021/ic501163x","","","0.71073","MoKα","","0.0341","0.023","","","0.0414","0.0445","","","","","","1.052","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340770","10.5574","0.0006","14.5229","0.0008","15.8805","0.0008","90","","90.721","0.0015","90","","2434.7","0.2","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H76 Co K N2 O6 Si2 -","- C42 H76 Co K N2 O6 Si2 -","- C84 H152 Co2 K2 N4 O12 Si4 -","2","0.5","","Lin, Chun-Yi; Fettinger, James C.; Grandjean, Fernande; Long, Gary J.; Power, Philip P.","Synthesis, structure, and magnetic and electrochemical properties of quasi-linear and linear iron(i), cobalt(i), and nickel(i) amido complexes.","Inorganic chemistry","2014","53","17","9400","9406","10.1021/ic501534f","","","1.54178","CuKα","","0.0284","0.0278","","","0.0771","0.0776","","","","","","1.038","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340771","12.489","0.003","12.693","0.003","17.444","0.004","101.812","0.003","95.981","0.003","104.259","0.003","2588.3","1.1","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C45.5 H80 Fe K N2 O6 Si2 -","- C45.5 H80 Fe K N2 O6 Si2 -","- C91 H160 Fe2 K2 N4 O12 Si4 -","2","1","","Lin, Chun-Yi; Fettinger, James C.; Grandjean, Fernande; Long, Gary J.; Power, Philip P.","Synthesis, structure, and magnetic and electrochemical properties of quasi-linear and linear iron(i), cobalt(i), and nickel(i) amido complexes.","Inorganic chemistry","2014","53","17","9400","9406","10.1021/ic501534f","","","0.71073","MoKα","","0.058","0.0372","","","0.0781","0.0871","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340772","10.5343","0.0007","14.516","0.001","15.8227","0.0011","90","","91.1821","0.0009","90","","2419","0.3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H76 K N2 Ni O6 Si2 -","- C42 H76 K N2 Ni O6 Si2 -","- C84 H152 K2 N4 Ni2 O12 Si4 -","2","0.5","","Lin, Chun-Yi; Fettinger, James C.; Grandjean, Fernande; Long, Gary J.; Power, Philip P.","Synthesis, structure, and magnetic and electrochemical properties of quasi-linear and linear iron(i), cobalt(i), and nickel(i) amido complexes.","Inorganic chemistry","2014","53","17","9400","9406","10.1021/ic501534f","","","0.71073","MoKα","","0.028","0.0246","","","0.0632","0.0655","","","","","","1.049","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340773","49.241","0.005","9.8527","0.0009","25.173","0.002","90","","105.665","0.0014","90","","11759.2","1.9","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H96 Fe K N2 O8 Si2 -","- C50 H96 Fe K N2 O8 Si2 -","- C400 H768 Fe8 K8 N16 O64 Si16 -","8","1","","Lin, Chun-Yi; Fettinger, James C.; Grandjean, Fernande; Long, Gary J.; Power, Philip P.","Synthesis, structure, and magnetic and electrochemical properties of quasi-linear and linear iron(i), cobalt(i), and nickel(i) amido complexes.","Inorganic chemistry","2014","53","17","9400","9406","10.1021/ic501534f","","","0.71073","MoKα","","0.0535","0.043","","","0.1041","0.1104","","","","","","1.028","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340774","12.6244","0.0018","12.4882","0.0018","23.283","0.003","90","","108.565","0.007","90","","3479.7","0.8","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 Br Mn N4 O5 S2 V -","- C31 H29 Br Mn N4 O5 S2 V -","- C124 H116 Br4 Mn4 N16 O20 S8 V4 -","4","1","","Bhattacharya, Kisholoy; Abtab, Sk Md Towsif; Majee, Mithun Chandra; Endo, Akira; Chaudhury, Muktimoy","Heterobimetallic μ-Oxido Complexes Containing Discrete V(V)-O-M(III) (M = Mn, Fe) Cores: Targeted Synthesis, Structural Characterization, and Redox Studies.","Inorganic chemistry","2014","53","16","8287","8297","10.1021/ic501563r","","","0.71073","MoKα","","0.1154","0.0453","","","0.064","0.0756","","","","","","1.284","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340775","12.486","0.004","12.863","0.005","13.292","0.005","61.417","0.007","71.025","0.009","81.184","0.009","1772.7","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H36 Mn N6 O9 S2 V -","- C32 H36 Mn N6 O9 S2 V -","- C64 H72 Mn2 N12 O18 S4 V2 -","2","1","","Bhattacharya, Kisholoy; Abtab, Sk Md Towsif; Majee, Mithun Chandra; Endo, Akira; Chaudhury, Muktimoy","Heterobimetallic μ-Oxido Complexes Containing Discrete V(V)-O-M(III) (M = Mn, Fe) Cores: Targeted Synthesis, Structural Characterization, and Redox Studies.","Inorganic chemistry","2014","53","16","8287","8297","10.1021/ic501563r","","","0.71073","MoKα","","0.1187","0.076","","","0.1943","0.2316","","","","","","0.932","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340776","15.258","0.002","13.85","0.002","15.181","0.002","90","","94.069","0.004","90","","3200","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Cl2 Mn N4 O5 S2 V -","- C29 H28 Cl2 Mn N4 O5 S2 V -","- C116 H112 Cl8 Mn4 N16 O20 S8 V4 -","4","1","","Bhattacharya, Kisholoy; Abtab, Sk Md Towsif; Majee, Mithun Chandra; Endo, Akira; Chaudhury, Muktimoy","Heterobimetallic μ-Oxido Complexes Containing Discrete V(V)-O-M(III) (M = Mn, Fe) Cores: Targeted Synthesis, Structural Characterization, and Redox Studies.","Inorganic chemistry","2014","53","16","8287","8297","10.1021/ic501563r","","","0.71073","MoKα","","0.0591","0.0484","","","0.1532","0.1649","","","","","","1.278","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340777","11.961","0.005","12.584","0.005","25.092","0.011","79.706","0.007","88.982","0.007","82.316","0.006","3683","3","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H37 Br Mn N5 O8 S2 V -","- C33 H37 Br Mn N5 O8 S2 V -","- C132 H148 Br4 Mn4 N20 O32 S8 V4 -","4","2","","Bhattacharya, Kisholoy; Abtab, Sk Md Towsif; Majee, Mithun Chandra; Endo, Akira; Chaudhury, Muktimoy","Heterobimetallic μ-Oxido Complexes Containing Discrete V(V)-O-M(III) (M = Mn, Fe) Cores: Targeted Synthesis, Structural Characterization, and Redox Studies.","Inorganic chemistry","2014","53","16","8287","8297","10.1021/ic501563r","","","0.71073","MoKα","","0.1585","0.091","","","0.2228","0.2576","","","","","","1.279","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340778","11.3747","0.001","11.7968","0.001","13.4141","0.0012","83.663","0.003","68.652","0.003","67.331","0.003","1546","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H58 Fe2 N10 O14 S4 V2 -","- C58 H58 Fe2 N10 O14 S4 V2 -","- C58 H58 Fe2 N10 O14 S4 V2 -","1","0.5","","Bhattacharya, Kisholoy; Abtab, Sk Md Towsif; Majee, Mithun Chandra; Endo, Akira; Chaudhury, Muktimoy","Heterobimetallic μ-Oxido Complexes Containing Discrete V(V)-O-M(III) (M = Mn, Fe) Cores: Targeted Synthesis, Structural Characterization, and Redox Studies.","Inorganic chemistry","2014","53","16","8287","8297","10.1021/ic501563r","","","0.71073","MoKα","","0.1256","0.079","","","0.1998","0.2268","","","","","","1.27","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340779","49.31","0.03","15.081","0.01","29.103","0.018","90","","99.335","0.013","90","","21356","2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H62 N24 O15 Zn5 -","- C74 H62 N24 O15 Zn5 -","- C592 H496 N192 O120 Zn40 -","8","1","","Chen, Yong-Qiang; Qu, Yang-Kun; Li, Guo-Rong; Zhuang, Zhan-Zhong; Chang, Ze; Hu, Tong-Liang; Xu, Jian; Bu, Xian-He","Zn(II)-Benzotriazolate Clusters Based Amide Functionalized Porous Coordination Polymers with High CO2 Adsorption Selectivity.","Inorganic chemistry","2014","53","17","8842","8844","10.1021/ic500788z","","","0.71073","MoKα","","0.0861","0.0649","","","0.1808","0.1948","","","","","","1.011","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340780","14.473","0.003","17.611","0.003","20.541","0.004","68.12","0.03","77.79","0.03","69.05","0.03","4518.7","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H112 N42 O32 Zn9 -","- C132 H84 N42 O24 Zn9 -","- C132 H84 N42 O24 Zn9 -","1","0.5","","Chen, Yong-Qiang; Qu, Yang-Kun; Li, Guo-Rong; Zhuang, Zhan-Zhong; Chang, Ze; Hu, Tong-Liang; Xu, Jian; Bu, Xian-He","Zn(II)-Benzotriazolate Clusters Based Amide Functionalized Porous Coordination Polymers with High CO2 Adsorption Selectivity.","Inorganic chemistry","2014","53","17","8842","8844","10.1021/ic500788z","","","0.71073","MoKα","","0.2115","0.0974","","","0.2064","0.2424","","","","","","0.889","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340781","14.2822","0.0004","16.1003","0.0004","17.3973","0.0004","76.491","0.002","67.172","0.002","87.533","0.002","3580.06","0.17","566","2","566","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H92 O20 P4 S4 Zn4 -","- C56 H92 O20 P4 S4 Zn4 -","- C112 H184 O40 P8 S8 Zn8 -","2","1","","Kalita, Alok Ch; Gogoi, Nayanmoni; Jangir, Ritambhara; Kuppuswamy, Subramaniam; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Ab initio chemical synthesis of designer metal phosphate frameworks at ambient conditions.","Inorganic chemistry","2014","53","17","8959","8969","10.1021/ic500810d","","","0.71073","MoKα","","0.0814","0.044","","","0.1043","0.1107","","","","","","0.886","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340782","18.846","0.003","25.339","0.004","17.39","0.003","90","","102.082","0.002","90","","8120","2","293","2","293","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C134 H184 N6 O36 P8 S4 Zn8 -","- C134 H184 N6 O36 P8 S4 Zn8 -","- C268 H368 N12 O72 P16 S8 Zn16 -","2","1","","Kalita, Alok Ch; Gogoi, Nayanmoni; Jangir, Ritambhara; Kuppuswamy, Subramaniam; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Ab initio chemical synthesis of designer metal phosphate frameworks at ambient conditions.","Inorganic chemistry","2014","53","17","8959","8969","10.1021/ic500810d","","","0.71073","MoKα","","0.0803","0.0709","","","0.1834","0.1877","","","","","","1.085","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340783","14.8623","0.0003","25.0146","0.0004","22.1798","0.0006","90","","109.026","0.002","90","","7795.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H92 N6 O19 P4 Zn4 -","- C66 H92 N6 O19 P4 Zn4 -","- C264 H368 N24 O76 P16 Zn16 -","4","1","","Kalita, Alok Ch; Gogoi, Nayanmoni; Jangir, Ritambhara; Kuppuswamy, Subramaniam; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Ab initio chemical synthesis of designer metal phosphate frameworks at ambient conditions.","Inorganic chemistry","2014","53","17","8959","8969","10.1021/ic500810d","","","0.71073","MoKα","","0.1005","0.0471","","","0.0898","0.099","","","","","","0.91","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340784","27.663","0.004","49.6105","0.0015","27.879","0.01","90","","90","","90","","38260","15","123","2","123","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C68 H84 N4 O16 P4 Zn4 -","- C68 H84 N4 O16 P4 Zn4 -","- C1088 H1344 N64 O256 P64 Zn64 -","16","1","","Kalita, Alok Ch; Gogoi, Nayanmoni; Jangir, Ritambhara; Kuppuswamy, Subramaniam; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Ab initio chemical synthesis of designer metal phosphate frameworks at ambient conditions.","Inorganic chemistry","2014","53","17","8959","8969","10.1021/ic500810d","","","0.71073","MoKα","","0.1004","0.0494","","","0.0978","0.1067","","","","","","0.765","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340785","17.9799","0.0015","17.9799","0.0015","30.999","0.003","90","","90","","90","","10021.3","1.5","93","2","93","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C72 H84 N12 O16 P4 Zn4 -","- C72 H84 N12 O16 P4 Zn4 -","- C288 H336 N48 O64 P16 Zn16 -","4","0.25","","Kalita, Alok Ch; Gogoi, Nayanmoni; Jangir, Ritambhara; Kuppuswamy, Subramaniam; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Ab initio chemical synthesis of designer metal phosphate frameworks at ambient conditions.","Inorganic chemistry","2014","53","17","8959","8969","10.1021/ic500810d","","","0.71075","MoKα","","0.1019","0.0674","","","0.1883","0.2167","","","","","","1.114","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340786","10.358","0.003","44.783","0.012","69.995","0.016","90","","90","","90","","32468","15","113","2","113","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C24 H23 N2 O6 P Zn -","- C24 H23 N2 O6 P Zn -","- C768 H736 N64 O192 P32 Zn32 -","32","1","","Kalita, Alok Ch; Gogoi, Nayanmoni; Jangir, Ritambhara; Kuppuswamy, Subramaniam; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Ab initio chemical synthesis of designer metal phosphate frameworks at ambient conditions.","Inorganic chemistry","2014","53","17","8959","8969","10.1021/ic500810d","","","0.71075","MoKα","","0.1307","0.0995","","","0.2876","0.323","","","","","","1.085","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340787","20.0908","0.0006","19.9777","0.0007","15.2121","0.0004","90","","106.899","0.003","90","","5842","0.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Co I0.7 N4 -","- C60 H60 Co I0.7 N4 -","- C240 H240 Co4 I2.8 N16 -","4","1","","Cheng, Ru-Jen; Chen, Yu-Hsuan; Chen, Ching-Chin; Lee, Gene-Hsiang; Peng, Shie-Ming; Chen, Peter Ping-Yu","Dual-Channel-Mediated Spin Coupling for One-Electron-Oxidized Cobalt(II)-Saddled Porphyrin.","Inorganic chemistry","2014","53","17","8848","8850","10.1021/ic501120k","","x-ray","0.71073","MoKα","","0.0989","0.0661","","","0.1838","0.2074","","","","","","1.109","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340788","12.8604","0.0005","15.3557","0.0006","15.5556","0.0005","98.609","0.002","98.382","0.002","109.122","0.002","2806.64","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H56 Co F12 N4 -","- C64 H56 Co F12 N4 -","- C128 H112 Co2 F24 N8 -","2","1","","Cheng, Ru-Jen; Chen, Yu-Hsuan; Chen, Ching-Chin; Lee, Gene-Hsiang; Peng, Shie-Ming; Chen, Peter Ping-Yu","Dual-Channel-Mediated Spin Coupling for One-Electron-Oxidized Cobalt(II)-Saddled Porphyrin.","Inorganic chemistry","2014","53","17","8848","8850","10.1021/ic501120k","","x-ray","0.71073","MoKα","","0.0516","0.0393","","","0.1071","0.1135","","","","","","1.1","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340789","16.4594","0.0009","20.4361","0.0012","14.9784","0.0008","90","","98.43","0.005","90","","4983.8","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Br Co N4 -","- C60 H56 Br Co N4 -","- C240 H224 Br4 Co4 N16 -","4","1","","Cheng, Ru-Jen; Chen, Yu-Hsuan; Chen, Ching-Chin; Lee, Gene-Hsiang; Peng, Shie-Ming; Chen, Peter Ping-Yu","Dual-Channel-Mediated Spin Coupling for One-Electron-Oxidized Cobalt(II)-Saddled Porphyrin.","Inorganic chemistry","2014","53","17","8848","8850","10.1021/ic501120k","","x-ray","0.71073","MoKα","","0.1794","0.096","","","0.215","0.2735","","","","","","1.037","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340790","16.3446","0.0009","20.2988","0.0009","14.9598","0.0006","90","","98.044","0.004","90","","4914.5","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Cl Co N4 -","- C60 H56 Cl Co N4 -","- C240 H224 Cl4 Co4 N16 -","4","1","","Cheng, Ru-Jen; Chen, Yu-Hsuan; Chen, Ching-Chin; Lee, Gene-Hsiang; Peng, Shie-Ming; Chen, Peter Ping-Yu","Dual-Channel-Mediated Spin Coupling for One-Electron-Oxidized Cobalt(II)-Saddled Porphyrin.","Inorganic chemistry","2014","53","17","8848","8850","10.1021/ic501120k","","x-ray","0.71073","MoKα","","0.1827","0.083","","","0.1919","0.2518","","","","","","1.018","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340791","18.8862","0.0002","18.9089","0.0002","27.9588","0.0003","90","","91.016","0.001","90","","9983","0.18","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21 H28 Br Ge Mn N2 O4 -","- C21 H28 Br Ge Mn N2 O4 -","- C336 H448 Br16 Ge16 Mn16 N32 O64 -","16","4","","Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Conversion of a Monodentate Amidinate-Germylene Ligand into Chelating Imine-Germanate Ligands (on Mononuclear Manganese Complexes).","Inorganic chemistry","2014","53","16","8735","8741","10.1021/ic501418p","","","1.5418","CuKα","","0.051","0.0487","","","0.1282","0.1305","","","","","","1.037","","","","has coordinates,has disorder","278046","2022-09-21","15:45:41",""
"4340792","17.098","0.004","14.182","0.002","9.9035","0.0019","90","","90","","90","","2401.4","0.8","123","2","123","10","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H31 Ge Mn N2 O4 -","- C22 H31 Ge Mn N2 O4 -","- C88 H124 Ge4 Mn4 N8 O16 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Conversion of a Monodentate Amidinate-Germylene Ligand into Chelating Imine-Germanate Ligands (on Mononuclear Manganese Complexes).","Inorganic chemistry","2014","53","16","8735","8741","10.1021/ic501418p","","","1.5418","CuKα","","0.1812","0.0923","","","0.1903","0.2904","","","","","","0.957","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340793","14.8389","0.0003","9.2287","0.0002","18.2058","0.0004","90","","104.035","0.002","90","","2418.74","0.09","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 F Ge Mn N2 O4 -","- C21 H28 F Ge Mn N2 O4 -","- C84 H112 F4 Ge4 Mn4 N8 O16 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Conversion of a Monodentate Amidinate-Germylene Ligand into Chelating Imine-Germanate Ligands (on Mononuclear Manganese Complexes).","Inorganic chemistry","2014","53","16","8735","8741","10.1021/ic501418p","","","1.5418","CuKα","","0.0648","0.0484","","","0.137","0.1486","","","","","","1.15","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340794","22.1574","0.0003","9.5888","0.0002","25.3889","0.0004","90","","96.572","0.015","90","","5358.8","0.2","152","2","152","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 F3 Ge3 Mn3 N2 O18 S -","- C38 H48 F3 Ge3 Mn3 N2 O18 S -","- C152 H192 F12 Ge12 Mn12 N8 O72 S4 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Conversion of a Monodentate Amidinate-Germylene Ligand into Chelating Imine-Germanate Ligands (on Mononuclear Manganese Complexes).","Inorganic chemistry","2014","53","16","8735","8741","10.1021/ic501418p","","","1.5418","CuKα","","0.0532","0.038","","","0.0853","0.0952","","","","","","1.04","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340795","11.55","0.0002","8.9281","0.0001","16.777","0.0003","90","","92.973","0.001","90","","1727.71","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 F3 N2 O3 S -","- C14 H21 F3 N2 O3 S -","- C56 H84 F12 N8 O12 S4 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Conversion of a Monodentate Amidinate-Germylene Ligand into Chelating Imine-Germanate Ligands (on Mononuclear Manganese Complexes).","Inorganic chemistry","2014","53","16","8735","8741","10.1021/ic501418p","","","1.5418","CuKα","","0.0388","0.0358","","","0.0946","0.0972","","","","","","1.053","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340796","11.2534","0.0001","16.2117","0.0002","33.8757","0.0004","90","","102.463","0.001","90","","6034.54","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H62 Co4 N3 O25 -","- C54 H57 Co4 N3 O26 -","- C216 H228 Co16 N12 O104 -","4","1","","Lu, Hai-Sheng; Bai, Linlu; Xiong, Wei-Wei; Li, Peizhou; Ding, Junfeng; Zhang, Guodong; Wu, Tom; Zhao, Yanli; Lee, Jong-Min; Yang, Yanhui; Geng, Baoyou; Zhang, Qichun","Surfactant media to grow new crystalline cobalt 1,3,5-benzenetricarboxylate metal-organic frameworks.","Inorganic chemistry","2014","53","16","8529","8537","10.1021/ic5011133","","","1.54178","CuKα","","0.0909","0.0683","","","0.1842","0.1994","","","","","","1.01","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340797","25.9825","0.0007","16.3719","0.0004","16.958","0.0004","90","","116.889","0.002","90","","6433.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H76 Co3 N4 O24 -","- C60 H76 Co3 N4 O24 -","- C240 H304 Co12 N16 O96 -","4","0.5","","Lu, Hai-Sheng; Bai, Linlu; Xiong, Wei-Wei; Li, Peizhou; Ding, Junfeng; Zhang, Guodong; Wu, Tom; Zhao, Yanli; Lee, Jong-Min; Yang, Yanhui; Geng, Baoyou; Zhang, Qichun","Surfactant media to grow new crystalline cobalt 1,3,5-benzenetricarboxylate metal-organic frameworks.","Inorganic chemistry","2014","53","16","8529","8537","10.1021/ic5011133","","","1.54178","CuKα","","0.1348","0.1009","","","0.2378","0.2684","","","","","","1.557","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340798","9.3727","0.0003","16.4276","0.0006","11.9865","0.0005","90","","109.616","0.004","90","","1738.46","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 Co N O7 -","- C15 H19 Co N O7 -","- C60 H76 Co4 N4 O28 -","4","1","","Lu, Hai-Sheng; Bai, Linlu; Xiong, Wei-Wei; Li, Peizhou; Ding, Junfeng; Zhang, Guodong; Wu, Tom; Zhao, Yanli; Lee, Jong-Min; Yang, Yanhui; Geng, Baoyou; Zhang, Qichun","Surfactant media to grow new crystalline cobalt 1,3,5-benzenetricarboxylate metal-organic frameworks.","Inorganic chemistry","2014","53","16","8529","8537","10.1021/ic5011133","","","1.54178","CuKα","","0.1708","0.106","","","0.2415","0.2768","","","","","","1.052","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340799","15.3814","0.0005","10.3957","0.0003","19.0391","0.0007","90","","92.1714","0.0016","90","","3042.17","0.17","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Cl4 N O4 S Zr -","- C28 H29 Cl4 N O4 S Zr -","- C112 H116 Cl16 N4 O16 S4 Zr4 -","4","1","","Stopper, Ayellet; Press, Konstantin; Okuda, Jun; Goldberg, Israel; Kol, Moshe","Zirconium Complexes of Phenylene-Bridged {ONSO} Ligands: Coordination Chemistry and Stereoselective Polymerization of rac-Lactide.","Inorganic chemistry","2014","53","17","9140","9150","10.1021/ic501164c","","","0.71073","MoKα","","0.0889","0.0465","","","0.0925","0.109","","","","","","0.97","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340800","15.5039","0.0002","10.5403","0.0001","19.2366","0.0003","90","","91.8978","0.0006","90","","3141.84","0.07","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Br4 N O4 S Zr -","- C28 H29 Br4 N O4 S Zr -","- C112 H116 Br16 N4 O16 S4 Zr4 -","4","1","","Stopper, Ayellet; Press, Konstantin; Okuda, Jun; Goldberg, Israel; Kol, Moshe","Zirconium Complexes of Phenylene-Bridged {ONSO} Ligands: Coordination Chemistry and Stereoselective Polymerization of rac-Lactide.","Inorganic chemistry","2014","53","17","9140","9150","10.1021/ic501164c","","","0.71073","MoKα","","0.0484","0.031","","","0.0665","0.0718","","","","","","1.004","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340801","15.473","0.0003","10.3699","0.0002","19.0831","0.0004","90","","92.309","0.001","90","","3059.46","0.11","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Br2 Cl2 N O4 S Zr -","- C28 H29 Br2 Cl2 N O4 S Zr -","- C112 H116 Br8 Cl8 N4 O16 S4 Zr4 -","4","1","","Stopper, Ayellet; Press, Konstantin; Okuda, Jun; Goldberg, Israel; Kol, Moshe","Zirconium Complexes of Phenylene-Bridged {ONSO} Ligands: Coordination Chemistry and Stereoselective Polymerization of rac-Lactide.","Inorganic chemistry","2014","53","17","9140","9150","10.1021/ic501164c","","","0.71073","MoKα","","0.0312","0.0261","","","0.0624","0.0644","","","","","","1.01","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340802","12.7728","0.0002","12.8029","0.0002","14.5862","0.0002","72.1301","0.0006","71.0202","0.0006","86.4523","0.0006","2144.86","0.06","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H57 Cl2 N O5 S Zr -","- C40 H57 Cl2 N O5 S Zr -","- C80 H114 Cl4 N2 O10 S2 Zr2 -","2","1","","Stopper, Ayellet; Press, Konstantin; Okuda, Jun; Goldberg, Israel; Kol, Moshe","Zirconium Complexes of Phenylene-Bridged {ONSO} Ligands: Coordination Chemistry and Stereoselective Polymerization of rac-Lactide.","Inorganic chemistry","2014","53","17","9140","9150","10.1021/ic501164c","","","0.71073","MoKα","","0.0657","0.0446","","","0.1072","0.1188","","","","","","1.039","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340803","8.9982","0.0006","10.1098","0.0007","28.47","0.002","91.226","0.004","94.598","0.003","115.452","0.003","2326.5","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H65 Hf N O5 S -","- C40 H65 Hf N O5 S -","- C80 H130 Hf2 N2 O10 S2 -","2","1","","Stopper, Ayellet; Press, Konstantin; Okuda, Jun; Goldberg, Israel; Kol, Moshe","Zirconium Complexes of Phenylene-Bridged {ONSO} Ligands: Coordination Chemistry and Stereoselective Polymerization of rac-Lactide.","Inorganic chemistry","2014","53","17","9140","9150","10.1021/ic501164c","","","0.71073","MoKα","","0.0569","0.0517","","","0.1303","0.1328","","","","","","1.097","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340804","10.1286","0.0011","11.1441","0.001","13.92","0.0016","94.35","0.008","104.933","0.008","94.588","0.008","1505.7","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 B2 F8 Fe N20 -","- C60 H60 B2 F8 Fe N20 -","- C60 H60 B2 F8 Fe N20 -","1","0.5","","Schweinfurth, David; Demeshko, Serhiy; Hohloch, Stephan; Steinmetz, Marc; Brandenburg, Jan Gerit; Dechert, Sebastian; Meyer, Franc; Grimme, Stefan; Sarkar, Biprajit","Spin Crossover in Fe(II) and Co(II) Complexes with the Same Click-Derived Tripodal Ligand.","Inorganic chemistry","2014","53","16","8203","8212","10.1021/ic500264k","","","0.71073","MoKα","","0.0394","0.0363","","","0.0925","0.0943","","","","","","1.039","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340805","14.0043","0.0006","15.2915","0.0006","16.0744","0.0006","90","","108.857","0.002","90","","3257.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 B F4 Fe0.5 N11 -","- C32 H33 B F4 Fe0.5 N11 -","- C128 H132 B4 F16 Fe2 N44 -","4","1","","Schweinfurth, David; Demeshko, Serhiy; Hohloch, Stephan; Steinmetz, Marc; Brandenburg, Jan Gerit; Dechert, Sebastian; Meyer, Franc; Grimme, Stefan; Sarkar, Biprajit","Spin Crossover in Fe(II) and Co(II) Complexes with the Same Click-Derived Tripodal Ligand.","Inorganic chemistry","2014","53","16","8203","8212","10.1021/ic500264k","","","0.71073","MoKα","","0.042","0.0319","","","0.0791","0.0845","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340806","14.0755","0.0017","15.4098","0.0015","16.414","0.002","90","","109.177","0.005","90","","3362.6","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 B2 Cl6 F8 Fe N20 -","- C62 H60 B2 Cl6 F8 Fe N20 -","- C124 H120 B4 Cl12 F16 Fe2 N40 -","2","0.5","","Schweinfurth, David; Demeshko, Serhiy; Hohloch, Stephan; Steinmetz, Marc; Brandenburg, Jan Gerit; Dechert, Sebastian; Meyer, Franc; Grimme, Stefan; Sarkar, Biprajit","Spin Crossover in Fe(II) and Co(II) Complexes with the Same Click-Derived Tripodal Ligand.","Inorganic chemistry","2014","53","16","8203","8212","10.1021/ic500264k","","","0.71073","MoKα","","0.063","0.0467","","","0.1218","0.1317","","","","","","1.036","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340807","14.0803","0.0008","15.3498","0.0009","16.0912","0.0009","90","","106.798","0.004","90","","3329.4","0.3","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H72 B2 F8 Fe N20 O2 -","- C64 H72 B2 F8 Fe N20 O2 -","- C128 H144 B4 F16 Fe2 N40 O4 -","2","0.5","","Schweinfurth, David; Demeshko, Serhiy; Hohloch, Stephan; Steinmetz, Marc; Brandenburg, Jan Gerit; Dechert, Sebastian; Meyer, Franc; Grimme, Stefan; Sarkar, Biprajit","Spin Crossover in Fe(II) and Co(II) Complexes with the Same Click-Derived Tripodal Ligand.","Inorganic chemistry","2014","53","16","8203","8212","10.1021/ic500264k","","","0.71073","MoKα","","0.1193","0.099","","","0.2535","0.2688","","","","","","1.106","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340808","10.1366","0.0005","11.405","0.0005","14.1339","0.0007","93.019","0.004","106.281","0.004","95.273","0.004","1556.56","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 B2 F8 Fe N20 -","- C60 H60 B2 F8 Fe N20 -","- C60 H60 B2 F8 Fe N20 -","1","0.5","","Schweinfurth, David; Demeshko, Serhiy; Hohloch, Stephan; Steinmetz, Marc; Brandenburg, Jan Gerit; Dechert, Sebastian; Meyer, Franc; Grimme, Stefan; Sarkar, Biprajit","Spin Crossover in Fe(II) and Co(II) Complexes with the Same Click-Derived Tripodal Ligand.","Inorganic chemistry","2014","53","16","8203","8212","10.1021/ic500264k","","","0.71073","MoKα","","0.0578","0.0455","","","0.1231","0.129","","","","","","1.006","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340809","10.0818","0.0004","11.1374","0.0004","13.8995","0.0006","94.071","0.002","104.24","0.002","93.664","0.002","1503.58","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 B2 Co F8 N20 -","- C60 H60 B2 Co F8 N20 -","- C60 H60 B2 Co F8 N20 -","1","0.5","","Schweinfurth, David; Demeshko, Serhiy; Hohloch, Stephan; Steinmetz, Marc; Brandenburg, Jan Gerit; Dechert, Sebastian; Meyer, Franc; Grimme, Stefan; Sarkar, Biprajit","Spin Crossover in Fe(II) and Co(II) Complexes with the Same Click-Derived Tripodal Ligand.","Inorganic chemistry","2014","53","16","8203","8212","10.1021/ic500264k","","","0.71073","MoKα","","0.1111","0.0606","","","0.102","0.1184","","","","","","1.084","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340810","27.1407","0.0005","12.2572","0.0002","11.7974","0.0003","90","","111.832","0.002","90","","3643.15","0.14","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 F5 N O Pt S -","- C19 H14 F5 N O Pt S -","- C152 H112 F40 N8 O8 Pt8 S8 -","8","1","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio; Shahsavari, Hamid R.","Photophysical Responses in Pt2Pb Clusters Driven by Solvent Interactions and Structural Changes in the Pb(II) Environment.","Inorganic chemistry","2014","53","16","8770","8785","10.1021/ic501458q","","","0.71073","MoKα","","0.019","0.0171","","","0.0393","0.0403","","","","","","1.058","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340811","24.4445","0.0007","19.676","0.0006","25.1616","0.0006","90","","118.915","0.002","90","","10593.3","0.5","173","1","173","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Compound X","","","- C50.9 H23.8 Cl1.8 F16 N4 Pb Pt2 S2 -","- C50 H22 F16 N4 Pb Pt2 S2 -","- C400 H176 F128 N32 Pb8 Pt16 S16 -","8","1","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio; Shahsavari, Hamid R.","Photophysical Responses in Pt2Pb Clusters Driven by Solvent Interactions and Structural Changes in the Pb(II) Environment.","Inorganic chemistry","2014","53","16","8770","8785","10.1021/ic501458q","","","0.71073","MoKα","","0.0507","0.0353","","","0.0687","0.0729","","","","","","1.058","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340812","12.3543","0.0002","29.5382","0.0006","15.3044","0.0003","90","","111.123","0.001","90","","5209.68","0.17","173","1","173","1","","","","","","","","8","P 1 21 1","P 2yb","4","Compound X","","","- C54.5 H31 F16 N4 O1.5 Pb Pt2 S2 -","- C54.5 H31 F16 N4 O1.5 Pb Pt2 S2 -","- C218 H124 F64 N16 O6 Pb4 Pt8 S8 -","4","2","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio; Shahsavari, Hamid R.","Photophysical Responses in Pt2Pb Clusters Driven by Solvent Interactions and Structural Changes in the Pb(II) Environment.","Inorganic chemistry","2014","53","16","8770","8785","10.1021/ic501458q","","","0.71073","MoKα","","0.0598","0.0437","","","0.0817","0.0882","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340813","12.633","0.0003","13.0439","0.0005","17.2434","0.0008","79.13","0.002","85.227","0.003","61.443","0.002","2450.89","0.17","173","1","173","1","","","","","","","synthesis as described","8","P -1","-P 1","2","Compound X","","","- C46 H26 Cl6 F10 N4 Pb Pt2 S2 -","- C46 H26 Cl6 F10 N4 Pb Pt2 S2 -","- C92 H52 Cl12 F20 N8 Pb2 Pt4 S4 -","2","1","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio; Shahsavari, Hamid R.","Photophysical Responses in Pt2Pb Clusters Driven by Solvent Interactions and Structural Changes in the Pb(II) Environment.","Inorganic chemistry","2014","53","16","8770","8785","10.1021/ic501458q","","x-ray","0.71073","MoKα","","0.0543","0.0377","","","0.0814","0.09","","","","","","1.029","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340814","25.025","0.003","12.074","0.001","21.385","0.001","90","","106.219","0.012","90","","6204.4","1","173","1","173","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Compound X","","","- C50 H26 Cl12 F16 N4 Pb Pt2 S2 -","- C50 H26 Cl12 F16 N4 Pb Pt2 S2 -","- C200 H104 Cl48 F64 N16 Pb4 Pt8 S8 -","4","0.5","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio; Shahsavari, Hamid R.","Photophysical Responses in Pt2Pb Clusters Driven by Solvent Interactions and Structural Changes in the Pb(II) Environment.","Inorganic chemistry","2014","53","16","8770","8785","10.1021/ic501458q","","x-ray","0.71073","MoKα","","0.0459","0.032","","","0.0691","0.0743","","","","","","1.035","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340815","11.3814","0.0004","14.8392","0.0004","16.1301","0.0004","110.064","0.003","106.667","0.003","96.519","0.003","2382.43","0.15","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C49 H28 F16 N4 O Pb Pt2 S2 -","- C49 H28 F16 N4 O Pb Pt2 S2 -","- C98 H56 F32 N8 O2 Pb2 Pt4 S4 -","2","1","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio; Shahsavari, Hamid R.","Photophysical Responses in Pt2Pb Clusters Driven by Solvent Interactions and Structural Changes in the Pb(II) Environment.","Inorganic chemistry","2014","53","16","8770","8785","10.1021/ic501458q","","","0.71073","MoKα","","0.0238","0.0202","","","0.043","0.0442","","","","","","1.031","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340816","25.1644","0.0008","11.8412","0.0004","21.9793","0.0005","90","","100.719","0.002","90","","6435","0.3","173","1","173","1","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","Compound X","","","- C70 H46 F16 N4 Pb Pt2 S2 -","- C70 H46 F16 N4 Pb Pt2 S2 -","- C280 H184 F64 N16 Pb4 Pt8 S8 -","4","0.5","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio; Shahsavari, Hamid R.","Photophysical Responses in Pt2Pb Clusters Driven by Solvent Interactions and Structural Changes in the Pb(II) Environment.","Inorganic chemistry","2014","53","16","8770","8785","10.1021/ic501458q","","x-ray","0.71073","MoKα","","0.0296","0.024","","","0.0551","0.0578","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340817","14.1726","0.0003","18.0991","0.0004","28.0328","0.0006","91.005","0.001","95.892","0.001","93.228","0.001","7139.4","0.3","173","1","173","1","","","","","","","synthesis as described","8","P -1","-P 1","2","Compound X","","","- C48 H26 Cl4 F16 N4 Pb Pt2 S2 -","- C46 H22 F16 N4 Pb Pt2 S2 -","- C276 H132 F96 N24 Pb6 Pt12 S12 -","6","3","","Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio; Shahsavari, Hamid R.","Photophysical Responses in Pt2Pb Clusters Driven by Solvent Interactions and Structural Changes in the Pb(II) Environment.","Inorganic chemistry","2014","53","16","8770","8785","10.1021/ic501458q","","x-ray","0.71073","MoKα","","0.0674","0.0431","","","0.1042","0.112","","","","","","1.071","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340818","10.6774","0.0005","10.98","0.0004","13.2409","0.0006","99.934","0.002","101.468","0.002","102.624","0.002","1446.22","0.11","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H70 B20 Cl4 N8 O6 Pd3 -","- C38 H70 B20 Cl4 N8 O6 Pd3 -","- C38 H70 B20 Cl4 N8 O6 Pd3 -","1","0.5","","Tsang, Min Ying; Viñas, Clara; Teixidor, Francesc; Planas, José Giner; Conde, Nerea; SanMartin, Raul; Herrero, María Teresa; Domínguez, Esther; Lledós, Agustí; Vidossich, Pietro; Choquesillo-Lazarte, Duane","Synthesis, Structure, and Catalytic Applications for ortho- and meta-Carboranyl Based NBN Pincer-Pd Complexes.","Inorganic chemistry","2014","53","17","9284","9295","10.1021/ic5013999","","","0.71073","MoKα","","0.0247","0.0226","","","0.0572","0.0581","","","","","","1.08","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340819","9.9166","0.0004","10.7176","0.0004","12.7142","0.0005","68.924","0.001","67.449","0.001","67.499","0.001","1116.52","0.08","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H25 B10 Cl N2 O2 Pd -","- C16 H25 B10 Cl N2 O2 Pd -","- C32 H50 B20 Cl2 N4 O4 Pd2 -","2","1","","Tsang, Min Ying; Viñas, Clara; Teixidor, Francesc; Planas, José Giner; Conde, Nerea; SanMartin, Raul; Herrero, María Teresa; Domínguez, Esther; Lledós, Agustí; Vidossich, Pietro; Choquesillo-Lazarte, Duane","Synthesis, Structure, and Catalytic Applications for ortho- and meta-Carboranyl Based NBN Pincer-Pd Complexes.","Inorganic chemistry","2014","53","17","9284","9295","10.1021/ic5013999","","","0.71073","MoKα","","0.0249","0.0239","","","0.0643","0.0649","","","","","","1.065","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340820","11.033","0.0005","20.3495","0.001","11.0094","0.0005","90","","96.469","0.0018","90","","2456","0.2","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H28 B10 Cl N3 O3 Pd -","- C17 H28 B10 Cl N3 O3 Pd -","- C68 H112 B40 Cl4 N12 O12 Pd4 -","4","1","","Tsang, Min Ying; Viñas, Clara; Teixidor, Francesc; Planas, José Giner; Conde, Nerea; SanMartin, Raul; Herrero, María Teresa; Domínguez, Esther; Lledós, Agustí; Vidossich, Pietro; Choquesillo-Lazarte, Duane","Synthesis, Structure, and Catalytic Applications for ortho- and meta-Carboranyl Based NBN Pincer-Pd Complexes.","Inorganic chemistry","2014","53","17","9284","9295","10.1021/ic5013999","","","0.71073","MoKα","","0.0429","0.0334","","","0.0765","0.081","","","","","","1.123","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340821","11.527","0.001","16.947","0.002","10.322","0.001","90","","102.779","0.002","90","","1966.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dithiocarbonic acid S-[1,2-bis(4-methoxyphenyl)-2-oxoethyl] ester O-isopropyl ester","","- C20 H22 O4 S2 -","- C20 H22 O4 S2 -","- C80 H88 O16 S8 -","4","1","","Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.","A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.","Inorganic chemistry","2014","53","17","9192","9205","10.1021/ic501273b","","","0.71073","MoKα","","0.0824","0.071","","","0.1492","0.154","","","","","","1.222","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340822","5.4968","0.0004","11.7792","0.0009","12.5653","0.0009","113.349","0.001","94.108","0.001","94.857","0.001","739.33","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,5-Bis(4-methoxyphenyl)-[1,3]dithiol-2-one","","- C17 H14 O3 S2 -","- C17 H14 O3 S2 -","- C34 H28 O6 S4 -","2","1","","Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.","A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.","Inorganic chemistry","2014","53","17","9192","9205","10.1021/ic501273b","","","0.71073","MoKα","","0.0319","0.0288","","","0.0749","0.0775","","","","","","1.065","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340823","13.4064","0.0019","10.7853","0.0015","25.9","0.004","90","","99.379","0.002","90","","3694.9","0.9","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","4,5-Bis(4-methoxyphenyl)-2,2-dimethyl- [1,3,2]dithiastannole","","- C18 H20 O2 S2 Sn -","- C18 H20 O2 S2 Sn -","- C144 H160 O16 S16 Sn8 -","8","2","","Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.","A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.","Inorganic chemistry","2014","53","17","9192","9205","10.1021/ic501273b","","","0.71073","MoKα","","0.0215","0.0194","","","0.0485","0.0499","","","","","","1.069","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340824","6.9778","0.0014","7.1911","0.0014","7.5203","0.0015","62.622","0.003","62.445","0.002","88.558","0.003","288.52","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Pt S4 -","- C8 H12 Pt S4 -","- C8 H12 Pt S4 -","1","0.5","","Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.","A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.","Inorganic chemistry","2014","53","17","9192","9205","10.1021/ic501273b","","","0.71073","MoKα","","0.016","0.016","","","0.039","0.039","","","","","","1.031","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340825","9.14","0.006","12.279","0.008","17.818","0.012","109.932","0.009","95.95","0.01","109.328","0.008","1720","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis(1,2-bis(4-methoxyphenyl)ethen-1,2-dithiolato) platinum(II) 1,2-dichloroethane solvate","","- C34 H32 Cl2 O4 Pt S4 -","- C34 H32 Cl2 O4 Pt S4 -","- C68 H64 Cl4 O8 Pt2 S8 -","2","1","","Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.","A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.","Inorganic chemistry","2014","53","17","9192","9205","10.1021/ic501273b","","","0.71073","MoKα","","0.071","0.0562","","","0.1384","0.1438","","","","","","1.012","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340826","17.8597","0.0012","18.7052","0.0012","16.6577","0.0011","90","","90","","90","","5564.8","0.6","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(1,2-bis(diphenylphosphino)ethane)bis(1,2-bis(4-methoxyphenyl) ethene-1,2-dithiolato)platinum(IV)","","- C58 H52 O4 P2 Pt S4 -","- C58 H52 O4 P2 Pt S4 -","- C232 H208 O16 P8 Pt4 S16 -","4","0.5","","Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.","A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.","Inorganic chemistry","2014","53","17","9192","9205","10.1021/ic501273b","","","0.71073","MoKα","","0.0322","0.0236","","","0.0538","0.0566","","","","","","1.091","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340827","23.093","0.004","13.429","0.002","27.953","0.005","90","","110.592","0.002","90","","8115","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(1,2-Bis(diphenylphosphino)ethane)(1,2-bis(4-methoxyphenyl) ethene-1,2-dithiolato)platinum(II) 1,2-dichloroethane solvate","","- C44 H42 Cl2 O2 P2 Pt S2 -","- C44 H42 Cl2 O2 P2 Pt S2 -","- C352 H336 Cl16 O16 P16 Pt8 S16 -","8","2","","Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.","A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.","Inorganic chemistry","2014","53","17","9192","9205","10.1021/ic501273b","","","0.71073","MoKα","","0.0432","0.0262","","","0.052","0.0593","","","","","","1.035","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340828","8.4203","0.0009","13.7295","0.0014","33.591","0.004","90","","93.757","0.001","90","","3875","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-Bis(trimethylphosphine)bis(1,2-bis(4-methoxyphenyl) ethene-1,2-dithiolato)platinum(IV)","","- C38 H46 O4 P2 Pt S4 -","- C38 H46 O4 P2 Pt S4 -","- C152 H184 O16 P8 Pt4 S16 -","4","1","","Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.","A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.","Inorganic chemistry","2014","53","17","9192","9205","10.1021/ic501273b","","","0.71073","MoKα","","0.0221","0.0193","","","0.0426","0.0437","","","","","","1.046","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340829","15.543","0.003","12.222","0.002","11.3826","0.0018","90","","90","","90","","2162.3","0.6","195","2","195","2","","","","","","","","5","C m c a","-C 2ac 2","64","","trans-Bis(trimethylphosphine)bis(but-2-ene-2,3-dithiolato) platinum(IV)","","- C14 H30 P2 Pt S4 -","- C14 H30 P2 Pt S4 -","- C56 H120 P8 Pt4 S16 -","4","","","Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.","A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.","Inorganic chemistry","2014","53","17","9192","9205","10.1021/ic501273b","","","0.71073","MoKα","","0.0203","0.0178","","","0.0442","0.0459","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340830","9.792","0.003","12.201","0.003","14.106","0.004","104.443","0.004","104.466","0.004","105.89","0.004","1475.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,2-bis(4-methoxyphenyl)ethen-1,2-dithiolato) palladium(II)","","- C32 H28 O4 Pd S4 -","- C32 H28 O4 Pd S4 -","- C64 H56 O8 Pd2 S8 -","2","1","","Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.","A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.","Inorganic chemistry","2014","53","17","9192","9205","10.1021/ic501273b","","","0.71073","MoKα","","0.0898","0.0523","","","0.1218","0.1396","","","","","","0.977","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340831","8.9483","0.0006","20.1445","0.0014","14.4855","0.001","90","","106.924","0.001","90","","2498.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(trimethyphosphine)(1,2-bis(4-methoxyphenyl)ethene- 1,2-dithiolato)palladium(II)","","- C22 H32 O2 P2 Pd S2 -","- C22 H32 O2 P2 Pd S2 -","- C88 H128 O8 P8 Pd4 S8 -","4","1","","Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.","A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.","Inorganic chemistry","2014","53","17","9192","9205","10.1021/ic501273b","","","0.71073","MoKα","","0.025","0.0215","","","0.0536","0.0559","","","","","","1.059","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340832","9.0024","0.0004","10.959","0.0004","17.4224","0.0007","90","","99.862","0.001","90","","1693.45","0.12","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(2,3-cis-but-2-enedithiolato-κ^2^S,S')bis(triphenyl phosphine)palladium(II)","","- C40 H36 P2 Pd S2 -","- C40 H36 P2 Pd S2 -","- C80 H72 P4 Pd2 S4 -","2","1","","Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.","A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.","Inorganic chemistry","2014","53","17","9192","9205","10.1021/ic501273b","","","0.71073","MoKα","","0.0171","0.0169","","","0.0446","0.0447","","","","","","1.131","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340833","9.8658","0.0003","10.4704","0.0003","21.2026","0.0007","85.809","0.001","83.237","0.001","68.47","0.001","2022.15","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 P2 Pd2 S4 -","- C44 H42 P2 Pd2 S4 -","- C88 H84 P4 Pd4 S8 -","2","1","","Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.","A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.","Inorganic chemistry","2014","53","17","9192","9205","10.1021/ic501273b","","","0.71073","MoKα","","0.0234","0.0208","","","0.0509","0.0524","","","","","","1.056","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340834","9.0406","0.0005","35.6567","0.0018","14.9462","0.0007","90","","101.754","0.002","90","","4717","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene) (4,4'-dimethyl-2,2'bipyridine) copper hexafluorophosphate","","- C41 H50 Cl6 Cu F6 N4 P -","- C41 H50 Cl6 Cu F6 N4 P -","- C164 H200 Cl24 Cu4 F24 N16 P4 -","4","1","","Marion, Ronan; Sguerra, Fabien; Di Meo, Florent; Sauvageot, Elodie; Lohier, Jean-François; Daniellou, Richard; Renaud, Jean-Luc; Linares, Mathieu; Hamel, Matthieu; Gaillard, Sylvain","NHC Copper(I) Complexes Bearing Dipyridylamine Ligands: Synthesis, Structural, and Photoluminescent Studies.","Inorganic chemistry","2014","53","17","9181","9191","10.1021/ic501230m","","","0.71073","MoKα","","0.0646","0.0547","","","0.142","0.1481","","","","","","1.029","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340835","11.9827","0.0003","21.4892","0.0006","16.945","0.0005","90","","105.117","0.001","90","","4212.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene) (5,5'-dimethyl-2,2'-dipyridylamine) copper hexafluorophosphate","","- C39 H49 Cu F6 N5 P -","- C39 H49 Cu F6 N5 P -","- C156 H196 Cu4 F24 N20 P4 -","4","1","","Marion, Ronan; Sguerra, Fabien; Di Meo, Florent; Sauvageot, Elodie; Lohier, Jean-François; Daniellou, Richard; Renaud, Jean-Luc; Linares, Mathieu; Hamel, Matthieu; Gaillard, Sylvain","NHC Copper(I) Complexes Bearing Dipyridylamine Ligands: Synthesis, Structural, and Photoluminescent Studies.","Inorganic chemistry","2014","53","17","9181","9191","10.1021/ic501230m","","","0.71073","MoKα","","0.0556","0.0502","","","0.1278","0.1305","","","","","","1.134","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340836","14.1077","0.0003","14.3299","0.0003","20.8582","0.0005","90","","90","","90","","4216.73","0.16","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(1,3-bis(2,6-di-iso-propylphenyl)-4,5-dihydroimidazol-2-ylidene) (1,10-phenanthroline) copper hexafluorophosphate","","- C37 H46 Cu F6 N4 P -","- C37 H46 Cu F6 N4 P -","- C148 H184 Cu4 F24 N16 P4 -","4","0.5","","Marion, Ronan; Sguerra, Fabien; Di Meo, Florent; Sauvageot, Elodie; Lohier, Jean-François; Daniellou, Richard; Renaud, Jean-Luc; Linares, Mathieu; Hamel, Matthieu; Gaillard, Sylvain","NHC Copper(I) Complexes Bearing Dipyridylamine Ligands: Synthesis, Structural, and Photoluminescent Studies.","Inorganic chemistry","2014","53","17","9181","9191","10.1021/ic501230m","","","0.71073","MoKα","","0.0524","0.0439","","","0.132","0.137","","","","","","1.062","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340837","16.1394","0.0003","17.7404","0.0003","28.0039","0.0005","90","","90","","90","","8018.1","0.2","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene) (3,3'-dimethyl-2,2'-dipyridylamine) copper hexafluorophosphate","","- C39 H49 Cu F6 N5 P -","- C39 H49 Cu F6 N5 P -","- C312 H392 Cu8 F48 N40 P8 -","8","1","","Marion, Ronan; Sguerra, Fabien; Di Meo, Florent; Sauvageot, Elodie; Lohier, Jean-François; Daniellou, Richard; Renaud, Jean-Luc; Linares, Mathieu; Hamel, Matthieu; Gaillard, Sylvain","NHC Copper(I) Complexes Bearing Dipyridylamine Ligands: Synthesis, Structural, and Photoluminescent Studies.","Inorganic chemistry","2014","53","17","9181","9191","10.1021/ic501230m","","","0.71073","MoKα","","0.0682","0.0468","","","0.1356","0.1537","","","","","","1.027","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340838","15.3714","0.0003","16.9525","0.0004","26.5793","0.0006","90","","90","","90","","6926.1","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene) (2,2'bipyridine) copper tetrafluoroborate","","- C37 H44 B Cu F4 N4 -","- C37 H44 B Cu F4 N4 -","- C296 H352 B8 Cu8 F32 N32 -","8","1","","Marion, Ronan; Sguerra, Fabien; Di Meo, Florent; Sauvageot, Elodie; Lohier, Jean-François; Daniellou, Richard; Renaud, Jean-Luc; Linares, Mathieu; Hamel, Matthieu; Gaillard, Sylvain","NHC Copper(I) Complexes Bearing Dipyridylamine Ligands: Synthesis, Structural, and Photoluminescent Studies.","Inorganic chemistry","2014","53","17","9181","9191","10.1021/ic501230m","","","0.71073","MoKα","","0.052","0.0426","","","0.1148","0.1186","","","","","","1.069","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340839","8.8858","0.0003","22.9533","0.0008","19.1857","0.0007","90","","96.252","0.002","90","","3889.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene) (1,10-phenanthroline) copper tetrafluoroborate","","- C39 H44 B Cu F4 N4 -","- C39 H44 B Cu F4 N4 -","- C156 H176 B4 Cu4 F16 N16 -","4","1","","Marion, Ronan; Sguerra, Fabien; Di Meo, Florent; Sauvageot, Elodie; Lohier, Jean-François; Daniellou, Richard; Renaud, Jean-Luc; Linares, Mathieu; Hamel, Matthieu; Gaillard, Sylvain","NHC Copper(I) Complexes Bearing Dipyridylamine Ligands: Synthesis, Structural, and Photoluminescent Studies.","Inorganic chemistry","2014","53","17","9181","9191","10.1021/ic501230m","","","0.71073","MoKα","","0.0897","0.0657","","","0.1464","0.1568","","","","","","1.034","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340840","12.0145","0.0004","16.2594","0.0005","21.7469","0.0007","90","","90","","90","","4248.2","0.2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","(1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene) (2,2'-dipyridylamine) copper hexafluorophosphate","","- C38 H46 Cl3 Cu F6 N5 P -","- C38 H46 Cl3 Cu F6 N5 P -","- C152 H184 Cl12 Cu4 F24 N20 P4 -","4","1","","Marion, Ronan; Sguerra, Fabien; Di Meo, Florent; Sauvageot, Elodie; Lohier, Jean-François; Daniellou, Richard; Renaud, Jean-Luc; Linares, Mathieu; Hamel, Matthieu; Gaillard, Sylvain","NHC Copper(I) Complexes Bearing Dipyridylamine Ligands: Synthesis, Structural, and Photoluminescent Studies.","Inorganic chemistry","2014","53","17","9181","9191","10.1021/ic501230m","","","0.71073","MoKα","","0.0517","0.0433","","","0.1192","0.1251","","","","","","1.041","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340841","11.2079","0.0002","11.7079","0.0002","17.1435","0.0004","86.786","0.001","77.69","0.001","79.534","0.001","2160.95","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","(1,3-bis(2,6-di-iso-propylphenyl)-4,5-dihydroimidazol-2-ylidene) ( 2,2'-dipyridylamine) copper hexafluorophosphate","","- C38 H48 Cl3 Cu F6 N5 P -","- C38 H48 Cl3 Cu F6 N5 P -","- C76 H96 Cl6 Cu2 F12 N10 P2 -","2","1","","Marion, Ronan; Sguerra, Fabien; Di Meo, Florent; Sauvageot, Elodie; Lohier, Jean-François; Daniellou, Richard; Renaud, Jean-Luc; Linares, Mathieu; Hamel, Matthieu; Gaillard, Sylvain","NHC Copper(I) Complexes Bearing Dipyridylamine Ligands: Synthesis, Structural, and Photoluminescent Studies.","Inorganic chemistry","2014","53","17","9181","9191","10.1021/ic501230m","","","0.71073","MoKα","","0.074","0.0492","","","0.1259","0.1437","","","","","","1.016","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340842","8.7643","0.0005","11.0201","0.0008","20.4623","0.0018","79.73","0.005","80.208","0.005","89.199","0.006","1916.1","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H33 N4 O3 P -","- C44 H33 N4 O3 P -","- C88 H66 N8 O6 P2 -","2","1","","Kalita, Hemanta; Lee, Way-Zen; Ravikanth, Mangalampalli","Phosphorus Complexes of meso-Triaryl-25-oxasmaragdyrins.","Inorganic chemistry","2014","53","17","9431","9438","10.1021/ic501629n","","","0.71073","MoKα","","0.1024","0.0698","","","0.1887","0.2071","","","","","","1.071","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340843","7.14","0.0018","13.503","0.004","18.308","0.005","90","","90","","90","","1765.1","0.8","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C14 H16 Co N4 O7 -","- C14 H10 Co N4 O7 -","- C56 H40 Co4 N16 O28 -","4","0.25","","Zhang, Jian-Yong; Wang, Kun; Li, Xiu-Bing; Gao, En-Qing","Magnetic Coupling and Slow Relaxation of Magnetization in Chain-Based Mn(II), Co(II), and Ni(II) Coordination Frameworks.","Inorganic chemistry","2014","53","17","9306","9314","10.1021/ic5014279","","","0.71073","MoKα","","0.0554","0.0458","","","0.1272","0.1351","","","","","","1.03","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340844","7.3498","0.0015","13.692","0.003","18.208","0.004","90","","90","","90","","1832.3","0.7","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C14 H16 Mn N4 O7 -","- C14 H10 Mn N4 O7 -","- C56 H40 Mn4 N16 O28 -","4","0.25","","Zhang, Jian-Yong; Wang, Kun; Li, Xiu-Bing; Gao, En-Qing","Magnetic Coupling and Slow Relaxation of Magnetization in Chain-Based Mn(II), Co(II), and Ni(II) Coordination Frameworks.","Inorganic chemistry","2014","53","17","9306","9314","10.1021/ic5014279","","","0.71073","MoKα","","0.0649","0.059","","","0.1628","0.1678","","","","","","1.046","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340845","7.0005","0.0003","12.1324","0.0004","13.7428","0.0005","64.175","0.002","89.092","0.002","85.548","0.002","1047.26","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- As8 H4 Na14 O44 U5 -","- As8 H4 Na14 O44 U5 -","- As8 H4 Na14 O44 U5 -","1","0.5","","Liu, Hsin-Kuan; Ramachandran, Eswaran; Chen, Yi-Hsin; Chang, Wen-Jung; Lii, Kwang-Hwa","High-temperature, high-pressure hydrothermal synthesis, characterization, and structural relationships of layered uranyl arsenates.","Inorganic chemistry","2014","53","17","9065","9072","10.1021/ic501091g","","","0.71073","MoKα","","0.0228","0.0185","","","0.0341","0.0351","","","","","","1.061","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340846","6.8615","0.0003","24.7017","0.001","7.1269","0.0003","90","","98.749","0.002","90","","1193.89","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- As2 K6 O23 U5 -","- As2 K6 O23 U5 -","- As4 K12 O46 U10 -","2","0.5","","Liu, Hsin-Kuan; Ramachandran, Eswaran; Chen, Yi-Hsin; Chang, Wen-Jung; Lii, Kwang-Hwa","High-temperature, high-pressure hydrothermal synthesis, characterization, and structural relationships of layered uranyl arsenates.","Inorganic chemistry","2014","53","17","9065","9072","10.1021/ic501091g","","","0.71073","MoKα","","0.0277","0.0216","","","0.0463","0.0482","","","","","","1.034","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340847","6.7852","0.0003","17.364","0.0008","7.1151","0.0003","90","","98.8014","0.0016","90","","828.42","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- As2 K4 O16 U3 -","- As2 K4 O16 U3 -","- As4 K8 O32 U6 -","2","0.5","","Liu, Hsin-Kuan; Ramachandran, Eswaran; Chen, Yi-Hsin; Chang, Wen-Jung; Lii, Kwang-Hwa","High-temperature, high-pressure hydrothermal synthesis, characterization, and structural relationships of layered uranyl arsenates.","Inorganic chemistry","2014","53","17","9065","9072","10.1021/ic501091g","","","0.71073","MoKα","","0.0306","0.0269","","","0.0675","0.0689","","","","","","1.108","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340848","6.9783","0.0003","17.4513","0.0008","7.0867","0.0003","90","","90.808","0.003","90","","862.94","0.07","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- As2 O16 Rb4 U3 -","- As2 O16 Rb4 U3 -","- As4 O32 Rb8 U6 -","2","0.5","","Liu, Hsin-Kuan; Ramachandran, Eswaran; Chen, Yi-Hsin; Chang, Wen-Jung; Lii, Kwang-Hwa","High-temperature, high-pressure hydrothermal synthesis, characterization, and structural relationships of layered uranyl arsenates.","Inorganic chemistry","2014","53","17","9065","9072","10.1021/ic501091g","","","0.71073","MoKα","","0.0456","0.0269","","","0.0468","0.0508","","","","","","1.006","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340849","7.7628","0.0003","9.3324","0.0004","11.9336","0.0004","75.611","0.002","73.136","0.002","86.329","0.002","801.37","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- As4 Cs6 O28 U5 -","- As4 Cs6 O28 U5 -","- As4 Cs6 O28 U5 -","1","0.5","","Liu, Hsin-Kuan; Ramachandran, Eswaran; Chen, Yi-Hsin; Chang, Wen-Jung; Lii, Kwang-Hwa","High-temperature, high-pressure hydrothermal synthesis, characterization, and structural relationships of layered uranyl arsenates.","Inorganic chemistry","2014","53","17","9065","9072","10.1021/ic501091g","","","0.71073","MoKα","","0.0357","0.0336","","","0.0973","0.0989","","","","","","1.048","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340850","10.4928","0.0003","10.9461","0.0003","20.8919","0.0006","85.182","0.001","77.276","0.001","67.355","0.001","2160.17","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- Cr H96 Na13 O103 P2 W14 -","- Cr Na13 O98 P2 W14 -","- Cr Na13 O98 P2 W14 -","1","0.5","","Liu, Wenjing; Christian, Jonathan H.; Al-Oweini, Rami; Bassil, Bassem S.; van Tol, Johan; Atanasov, Mihail; Neese, Frank; Dalal, Naresh S.; Kortz, Ulrich","Synthesis, Detailed Characterization, and Theoretical Understanding of Mononuclear Chromium(III)-Containing Polyoxotungstates [Cr(III)(HX(V)W7O28)2](13-) (X = P, As) with Exceptionally Large Magnetic Anisotropy.","Inorganic chemistry","2014","53","17","9274","9283","10.1021/ic501385r","","","0.71073","MoKα","","0.0324","0.0256","","","0.063","0.0665","","","","","","1.004","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340851","10.5336","0.0008","10.9707","0.0009","21.0169","0.0018","85.119","0.005","77.571","0.004","67.134","0.004","2185.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- As2 Cr H106 Na13 O108 W14 -","- As2 Cr Na13 O99 W14 -","- As2 Cr Na13 O99 W14 -","1","0.5","","Liu, Wenjing; Christian, Jonathan H.; Al-Oweini, Rami; Bassil, Bassem S.; van Tol, Johan; Atanasov, Mihail; Neese, Frank; Dalal, Naresh S.; Kortz, Ulrich","Synthesis, Detailed Characterization, and Theoretical Understanding of Mononuclear Chromium(III)-Containing Polyoxotungstates [Cr(III)(HX(V)W7O28)2](13-) (X = P, As) with Exceptionally Large Magnetic Anisotropy.","Inorganic chemistry","2014","53","17","9274","9283","10.1021/ic501385r","","","0.71073","MoKα","","0.0425","0.0308","","","0.0721","0.0772","","","","","","1.011","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340852","24.059","0.005","14.993","0.003","18.366","0.004","90","","92.54","0.03","90","","6618","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H22 Dy F9 O8 -","- C33 H22 Dy F9 O8 -","- C264 H176 Dy8 F72 O64 -","8","1","","Zhu, Jing; Wang, Changzheng; Luan, Fang; Liu, Tianqi; Yan, Pengfei; Li, Guangming","Local Coordination Geometry Perturbed β-Diketone Dysprosium Single-Ion Magnets.","Inorganic chemistry","2014","53","17","8895","8901","10.1021/ic500501r","","","0.71073","MoKα","","0.0611","0.0414","","","0.0878","0.0955","","","","","","1.03","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340853","11.0539","0.0004","9.1328","0.0003","19.8252","0.0008","90","","95.412","0.003","90","","1992.49","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H26 Dy F9 N2 O6 -","- C43 H26 Dy F9 N2 O6 -","- C86 H52 Dy2 F18 N4 O12 -","2","1","","Zhu, Jing; Wang, Changzheng; Luan, Fang; Liu, Tianqi; Yan, Pengfei; Li, Guangming","Local Coordination Geometry Perturbed β-Diketone Dysprosium Single-Ion Magnets.","Inorganic chemistry","2014","53","17","8895","8901","10.1021/ic500501r","","","0.71073","MoKα","","0.0527","0.0427","","","0.0924","0.0992","","","","","","1.025","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340854","11.99","0.002","21.213","0.004","19.554","0.006","90","","116.91","0.02","90","","4434.9","1.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45.02 H26.02 Cl0.06 Dy F9 N2 O6 -","- C45.02 H26.02 Cl0.06 Dy F9 N2 O6 -","- C180.08 H104.08 Cl0.24 Dy4 F36 N8 O24 -","4","1","","Zhu, Jing; Wang, Changzheng; Luan, Fang; Liu, Tianqi; Yan, Pengfei; Li, Guangming","Local Coordination Geometry Perturbed β-Diketone Dysprosium Single-Ion Magnets.","Inorganic chemistry","2014","53","17","8895","8901","10.1021/ic500501r","","","0.71073","MoKα","","0.0455","0.0386","","","0.1129","0.1182","","","","","","1.101","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340855","11.4934","0.0009","21.9925","0.0016","14.9835","0.0011","90","","101.363","0.001","90","","3713.1","0.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Mo N3 O1.5 P2 -","- C42 H46 Mo N3 O1.5 P2 -","- C168 H184 Mo4 N12 O6 P8 -","4","1","","Pal, Raja; Groy, Thomas L.; Bowman, Amanda C.; Trovitch, Ryan J.","Preparation and Hydrosilylation Activity of a Molybdenum Carbonyl Complex That Features a Pentadentate Bis(imino)pyridine Ligand.","Inorganic chemistry","2014","53","17","9357","9365","10.1021/ic501465v","","","0.71073","MoKα","","0.1003","0.0537","","","0.1092","0.1274","","","","","","1.002","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340856","18.259","0.007","22.629","0.009","11.801","0.005","90","","108.925","0.005","90","","4612","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H62 Mo N10 -","- C51 H62 Mo N10 -","- C204 H248 Mo4 N40 -","4","0.5","","Pal, Raja; Groy, Thomas L.; Bowman, Amanda C.; Trovitch, Ryan J.","Preparation and Hydrosilylation Activity of a Molybdenum Carbonyl Complex That Features a Pentadentate Bis(imino)pyridine Ligand.","Inorganic chemistry","2014","53","17","9357","9365","10.1021/ic501465v","","","0.71073","MoKα","","0.101","0.0645","","","0.1431","0.1606","","","","","","1.014","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340857","9.2605","0.0004","10.0555","0.0004","22.8852","0.0012","90","","97.2","0.004","90","","2114.24","0.17","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H31 B11 N2 -","- C12 H31 B11 N2 -","- C48 H124 B44 N8 -","4","1","","Hailmann, Michael; Konieczka, Szymon Z.; Himmelspach, Alexander; Löblein, Jochen; Reiss, Guido J.; Finze, Maik","Carba-closo-dodecaborate Anions with Two Functional Groups: [1-R-12-HC≡C-closo-1-CB11H10](-) (R = CN, NC, CO2H, C(O)NH2, NHC(O)H).","Inorganic chemistry","2014","53","17","9385","9399","10.1021/ic501526g","","","0.71073","MoKα","","0.0785","0.0614","","","0.1299","0.1364","","","","","","1.028","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340858","10.5828","0.001","7.25","0.0006","26.907","0.003","90","","90.57","0.004","90","","2064.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H33 B11 N2 O -","- C12 H33 B11 N2 O -","- C48 H132 B44 N8 O4 -","4","1","","Hailmann, Michael; Konieczka, Szymon Z.; Himmelspach, Alexander; Löblein, Jochen; Reiss, Guido J.; Finze, Maik","Carba-closo-dodecaborate Anions with Two Functional Groups: [1-R-12-HC≡C-closo-1-CB11H10](-) (R = CN, NC, CO2H, C(O)NH2, NHC(O)H).","Inorganic chemistry","2014","53","17","9385","9399","10.1021/ic501526g","","","0.71073","MoKα","","0.0576","0.0477","","","0.1024","0.127","","","","","","1.042","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340859","17.3207","0.0009","17.3207","0.0009","26.9149","0.0014","90","","90","","90","","8074.6","0.7","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C11.96 H31.98 B11 I0.02 N O2 -","- C11.96 H31.98 B11 I0.02 N O2 -","- C191.36 H511.68 B176 I0.32 N16 O32 -","16","","","Hailmann, Michael; Konieczka, Szymon Z.; Himmelspach, Alexander; Löblein, Jochen; Reiss, Guido J.; Finze, Maik","Carba-closo-dodecaborate Anions with Two Functional Groups: [1-R-12-HC≡C-closo-1-CB11H10](-) (R = CN, NC, CO2H, C(O)NH2, NHC(O)H).","Inorganic chemistry","2014","53","17","9385","9399","10.1021/ic501526g","","","0.71073","MoKα","","0.1029","0.0652","","","0.1123","0.1294","","","","","","1.225","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340860","13.4171","0.0004","13.8162","0.0003","23.3326","0.0006","90","","90","","90","","4325.24","0.19","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H33 B11 N2 O -","- C12 H33 B11 N2 O -","- C96 H264 B88 N16 O8 -","8","1","","Hailmann, Michael; Konieczka, Szymon Z.; Himmelspach, Alexander; Löblein, Jochen; Reiss, Guido J.; Finze, Maik","Carba-closo-dodecaborate Anions with Two Functional Groups: [1-R-12-HC≡C-closo-1-CB11H10](-) (R = CN, NC, CO2H, C(O)NH2, NHC(O)H).","Inorganic chemistry","2014","53","17","9385","9399","10.1021/ic501526g","","","0.71073","MoKα","","0.0902","0.0568","","","0.1007","0.107","","","","","","1.078","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340861","12.7742","0.0005","11.6626","0.0005","13.5228","0.0005","90","","90","","90","","2014.63","0.14","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C12 H31 B11 N2 -","- C12 H31 B11 N2 -","- C48 H124 B44 N8 -","4","0.5","","Hailmann, Michael; Konieczka, Szymon Z.; Himmelspach, Alexander; Löblein, Jochen; Reiss, Guido J.; Finze, Maik","Carba-closo-dodecaborate Anions with Two Functional Groups: [1-R-12-HC≡C-closo-1-CB11H10](-) (R = CN, NC, CO2H, C(O)NH2, NHC(O)H).","Inorganic chemistry","2014","53","17","9385","9399","10.1021/ic501526g","","","0.71073","MoKα","","0.0479","0.0429","","","0.1191","0.1285","","","","","","1.081","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340862","10.7739","0.0007","9.252","0.0006","11.7942","0.0007","90","","101.67","0.007","90","","1151.35","0.13","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C2 H13 B11 K N O -","- C2 H13 B11 K N O -","- C8 H52 B44 K4 N4 O4 -","4","0.5","","Hailmann, Michael; Konieczka, Szymon Z.; Himmelspach, Alexander; Löblein, Jochen; Reiss, Guido J.; Finze, Maik","Carba-closo-dodecaborate Anions with Two Functional Groups: [1-R-12-HC≡C-closo-1-CB11H10](-) (R = CN, NC, CO2H, C(O)NH2, NHC(O)H).","Inorganic chemistry","2014","53","17","9385","9399","10.1021/ic501526g","","","0.71073","MoKα","","0.043","0.037","","","0.0754","0.0762","","","","","","1.056","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340865","18.2827","0.0012","17.2083","0.0011","15.2584","0.001","90","","122.753","0.001","90","","4037.3","0.5","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 Cl2 F6 Ir N6 P S2 -","- C41 H32 Cl2 F6 Ir N6 P S2 -","- C164 H128 Cl8 F24 Ir4 N24 P4 S8 -","4","0.5","","Schallenberg, David; Neubauer, Antje; Erdmann, Elisa; Tänzler, Marco; Villinger, Alexander; Lochbrunner, Stefan; Seidel, Wolfram W.","Dinuclear Ru/Ni, Ir/Ni, and Ir/Pt Complexes with Bridging Phenanthroline-5,6-dithiolate: Synthesis, Structure, and Electrochemical and Photophysical Behavior.","Inorganic chemistry","2014","53","17","8859","8873","10.1021/ic4031206","","","0.71073","MoKα","","0.0472","0.0385","","","0.1027","0.1064","","","","","","1.054","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340866","14.0988","0.0004","14.6087","0.0004","16.5442","0.0005","115.029","0.001","90.898","0.002","99.323","0.002","3033.21","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H57.5 F7.5 N2 Ni P4 Ru S2 -","- C61 H50 F6 N2 Ni P4 Ru S2 -","- C122 H100 F12 N4 Ni2 P8 Ru2 S4 -","2","1","","Schallenberg, David; Neubauer, Antje; Erdmann, Elisa; Tänzler, Marco; Villinger, Alexander; Lochbrunner, Stefan; Seidel, Wolfram W.","Dinuclear Ru/Ni, Ir/Ni, and Ir/Pt Complexes with Bridging Phenanthroline-5,6-dithiolate: Synthesis, Structure, and Electrochemical and Photophysical Behavior.","Inorganic chemistry","2014","53","17","8859","8873","10.1021/ic4031206","","","0.71073","MoKα","","0.0965","0.0483","","","0.1054","0.1192","","","","","","0.965","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340867","10.8381","0.0005","16.1616","0.0008","10.5484","0.0005","90","","90","","90","","1847.67","0.15","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H16 N2 S2 Ti -","- C22 H16 N2 S2 Ti -","- C88 H64 N8 S8 Ti4 -","4","1","","Schallenberg, David; Neubauer, Antje; Erdmann, Elisa; Tänzler, Marco; Villinger, Alexander; Lochbrunner, Stefan; Seidel, Wolfram W.","Dinuclear Ru/Ni, Ir/Ni, and Ir/Pt Complexes with Bridging Phenanthroline-5,6-dithiolate: Synthesis, Structure, and Electrochemical and Photophysical Behavior.","Inorganic chemistry","2014","53","17","8859","8873","10.1021/ic4031206","","","0.71073","MoKα","","0.0818","0.047","","","0.0859","0.0958","","","","","","0.97","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340868","10.9585","0.0006","11.0575","0.0007","18.3538","0.0012","82.584","0.006","82.123","0.005","66.667","0.005","2016","0.2","200","2","200","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C40 H61 N4 Ti4 -","- C40 H61 N4 Ti4 -","- C80 H122 N8 Ti8 -","2","1","","Caballo, Jorge; González-Moreiras, Mariano; Greño, Maider; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Partial hydrogenation of a tetranuclear titanium nitrido complex with ammonia borane.","Inorganic chemistry","2014","53","17","8851","8853","10.1021/ic5015972","","x-ray","0.71073","MoKα","","0.1584","0.0745","","","0.177","0.2128","","","","","","0.979","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340869","11.101","0.001","19.791","0.002","27.531","0.003","90","","95.044","0.008","90","","6025.1","1","200","2","200","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H76 F6 N4 O3 S Ti4 -","- C41 H61 F3 N4 O3 S Ti4 -","- C164 H244 F12 N16 O12 S4 Ti16 -","4","1","","Caballo, Jorge; González-Moreiras, Mariano; Greño, Maider; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Partial hydrogenation of a tetranuclear titanium nitrido complex with ammonia borane.","Inorganic chemistry","2014","53","17","8851","8853","10.1021/ic5015972","","x-ray","0.71073","MoKα","","0.1371","0.0805","","","0.2205","0.2514","","","","","","0.986","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340870","9.5812","0.0003","9.5812","0.0003","7.0655","0.0005","90","","90","","120","","561.71","0.05","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Nd7.977 O26 Si6 Sr2.023 -","- Nd7.96 O26 Si6 Sr2.04 -","- Nd7.96 O26 Si6 Sr2.04 -","1","0.0833333","","An, Tao; Orera, Alodia; Baikie, Tom; Herrin, Jason S.; Piltz, Ross O.; Slater, Peter R.; White, Tim J.; Sanjuán, María L","Structural Study of the Apatite Nd8Sr2Si6O26 by Laue Neutron Diffraction and Single-Crystal Raman Spectroscopy.","Inorganic chemistry","2014","53","17","9416","9423","10.1021/ic501558r","","neutron","0.71069","neutron","","0.0567","0.03","","","0.0323","0.0344","","","","1.61","1.61","1.48","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340871","9.5812","0.0003","9.5812","0.0003","7.0655","0.0005","90","","90","","120","","561.71","0.05","100","","100","","","","","","","","","4","P 63","P 6c","173","","","","- Nd8.09 O26 Si6 Sr1.91 -","- Nd8.08 O26 Si6 Sr1.92 -","- Nd8.08 O26 Si6 Sr1.92 -","1","0.166667","","An, Tao; Orera, Alodia; Baikie, Tom; Herrin, Jason S.; Piltz, Ross O.; Slater, Peter R.; White, Tim J.; Sanjuán, María L","Structural Study of the Apatite Nd8Sr2Si6O26 by Laue Neutron Diffraction and Single-Crystal Raman Spectroscopy.","Inorganic chemistry","2014","53","17","9416","9423","10.1021/ic501558r","","neutron","0.71069","neutron","","0.0658","0.0301","","","0.0306","0.0331","","","","1.35","1.35","1.24","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340872","11.3524","0.0013","15.6197","0.0019","16.1576","0.0019","73.874","0.003","88.47","0.003","69.556","0.002","2571.1","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Rh2Cl3H(tfepma)2(4-F-C6H4NC)","","","- C25 H27 Cl3 F25 N3 O8 P4 Rh2 -","- C25 H27 Cl3 F25 N3 O8 P4 Rh2 -","- C50 H54 Cl6 F50 N6 O16 P8 Rh4 -","2","1","","Powers, David C.; Hwang, Seung Jun; Zheng, Shao-Liang; Nocera, Daniel G.","Halide-Bridged Binuclear HX-Splitting Catalysts.","Inorganic chemistry","2014","53","17","9122","9128","10.1021/ic501136m","","","0.71073","MoKα","","0.1876","0.0965","","","0.2052","0.2302","","","","","","1.086","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4340873","11.3961","0.0004","15.6785","0.0006","17.1337","0.0006","69.771","0.0006","86.074","0.0006","68.93","0.0005","2675.01","0.17","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Rh2Cl3H(tfepma)2(4-MeO-C6H4NC)","","","- C16.5 H19 Cl1.5 F12 N1.5 O4.5 P2 Rh -","- C16.5 H19 Cl1.5 F12 N1.5 O4.5 P2 Rh -","- C66 H76 Cl6 F48 N6 O18 P8 Rh4 -","4","2","","Powers, David C.; Hwang, Seung Jun; Zheng, Shao-Liang; Nocera, Daniel G.","Halide-Bridged Binuclear HX-Splitting Catalysts.","Inorganic chemistry","2014","53","17","9122","9128","10.1021/ic501136m","","","0.71073","","","0.0376","0.0295","","","","0.0692","","","","","","1.0512","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340874","10.2998","0.0012","10.3196","0.0012","12.2239","0.0014","68.119","0.0017","73.78","0.0018","72.19","0.0018","1127.6","0.2","100","2","100","2","","","","","","","","8","P 1","P 1","1","Rh2Br2(tfepma)2(4-F-C6H4NC)","","","- C25 H26 Br2 F25 N3 O8 P4 Rh2 -","- C25 H26 Br2 F25 N3 O8 P4 Rh2 -","- C25 H26 Br2 F25 N3 O8 P4 Rh2 -","1","1","","Powers, David C.; Hwang, Seung Jun; Zheng, Shao-Liang; Nocera, Daniel G.","Halide-Bridged Binuclear HX-Splitting Catalysts.","Inorganic chemistry","2014","53","17","9122","9128","10.1021/ic501136m","","","0.71073","MoKα","","0.1026","0.0609","","","0.0932","0.1088","","","","","","1.01","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340875","14.074","0.002","21.28","0.003","9.6086","0.0015","90","","124.859","0.002","90","","2361.3","0.6","100","2","100","2","","","","","","","","8","C 1 m 1","C -2y","8","Rh2Br4(tfepma)2(4-F-C6H4NC)","","","- C25 H24 Br4 F25 N3 O8 P4 Rh2 -","- C25 H24 Br4 F25 N3 O8 P4 Rh2 -","- C50 H48 Br8 F50 N6 O16 P8 Rh4 -","2","0.5","","Powers, David C.; Hwang, Seung Jun; Zheng, Shao-Liang; Nocera, Daniel G.","Halide-Bridged Binuclear HX-Splitting Catalysts.","Inorganic chemistry","2014","53","17","9122","9128","10.1021/ic501136m","","","0.71073","MoKα","","0.0913","0.0544","","","0.0792","0.0897","","","","","","0.973","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340876","11.3409","0.0008","15.516","0.0012","16.3655","0.0013","72.8007","0.0012","88.9909","0.0014","70.7741","0.0012","2587.4","0.3","15","2","15","2","","","","","","","","8","P -1","-P 1","2","Rh2Br3H(tfepma)2(4-F-C6H4NC)","","","- C32 H35 Br3 F25 N3 O8 P4 Rh2 -","- C32 H35 Br3 F25 N3 O8 P4 Rh2 -","- C64 H70 Br6 F50 N6 O16 P8 Rh4 -","2","1","","Powers, David C.; Hwang, Seung Jun; Zheng, Shao-Liang; Nocera, Daniel G.","Halide-Bridged Binuclear HX-Splitting Catalysts.","Inorganic chemistry","2014","53","17","9122","9128","10.1021/ic501136m","","","0.41328","synchrotron","","0.0531","0.0431","","","0.1195","0.1362","","","","","","1.09","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340877","9.5175","0.0004","25.1198","0.0014","27.499","0.0011","90","","95.044","0.004","90","","6548.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H48 Cl2 N8 O12 Ru2 -","- C58 H48 Cl2 N8 O12 Ru2 -","- C232 H192 Cl8 N32 O48 Ru8 -","4","1","","Mondal, Prasenjit; Plebst, Sebastian; Ray, Ritwika; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Uncommon cis Configuration of a Metal-Metal Bridging Noninnocent Nindigo Ligand.","Inorganic chemistry","2014","53","17","9348","9356","10.1021/ic501460d","","","0.71073","MoKα","","0.1485","0.0921","","","0.2451","0.2818","","","","","","1.016","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340878","12.245","0.0007","13.6473","0.0006","15.3141","0.0008","99.265","0.004","110.594","0.005","90.416","0.004","2358.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H43 Cl N8 O4 Ru -","- C55 H43 Cl N8 O4 Ru -","- C110 H86 Cl2 N16 O8 Ru2 -","2","1","","Mondal, Prasenjit; Plebst, Sebastian; Ray, Ritwika; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Uncommon cis Configuration of a Metal-Metal Bridging Noninnocent Nindigo Ligand.","Inorganic chemistry","2014","53","17","9348","9356","10.1021/ic501460d","","","0.71073","MoKα","","0.0616","0.0451","","","0.1036","0.1134","","","","","","1.025","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340879","10.3275","0.0006","17.2508","0.0011","19.5265","0.0011","90","","102.25","0.0014","90","","3399.6","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 F6 N8 O Os P2 -","- C32 H32 F6 N8 O Os P2 -","- C128 H128 F24 N32 O4 Os4 P8 -","4","1","","Liao, Jia-Ling; Chi, Yun; Liu, Shih-Hung; Lee, Gene-Hsiang; Chou, Pi-Tai; Huang, Hao-Xiang; Su, Yu-De; Chang, Chih-Hao; Lin, Jin-Sheng; Tseng, Meu-Rurng","Os(II) Phosphors with Near-Infrared Emission Induced by Ligand-to-Ligand Charge Transfer Transition.","Inorganic chemistry","2014","53","17","9366","9374","10.1021/ic501474r","","","0.71073","MoKα","","0.0464","0.0353","","","0.0691","0.0737","","","","","","1.018","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340880","11.3471","0.0006","17.0368","0.0009","12.9426","0.0007","90","","97.8898","0.0014","90","","2478.4","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 F6 N8 O3 Os -","- C21 H14 F6 N8 O3 Os -","- C84 H56 F24 N32 O12 Os4 -","4","1","","Liao, Jia-Ling; Chi, Yun; Liu, Shih-Hung; Lee, Gene-Hsiang; Chou, Pi-Tai; Huang, Hao-Xiang; Su, Yu-De; Chang, Chih-Hao; Lin, Jin-Sheng; Tseng, Meu-Rurng","Os(II) Phosphors with Near-Infrared Emission Induced by Ligand-to-Ligand Charge Transfer Transition.","Inorganic chemistry","2014","53","17","9366","9374","10.1021/ic501474r","","","0.71073","MoKα","","0.0554","0.0389","","","0.0784","0.0847","","","","","","1.043","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340881","10.6493","0.0005","18.3645","0.0008","34.9814","0.0016","90","","97.3999","0.0011","90","","6784.3","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 F6 N8 Os P2 -","- C32 H30 F6 N8 Os P2 -","- C256 H240 F48 N64 Os8 P16 -","8","2","","Liao, Jia-Ling; Chi, Yun; Liu, Shih-Hung; Lee, Gene-Hsiang; Chou, Pi-Tai; Huang, Hao-Xiang; Su, Yu-De; Chang, Chih-Hao; Lin, Jin-Sheng; Tseng, Meu-Rurng","Os(II) Phosphors with Near-Infrared Emission Induced by Ligand-to-Ligand Charge Transfer Transition.","Inorganic chemistry","2014","53","17","9366","9374","10.1021/ic501474r","","","0.71073","MoKα","","0.0545","0.0393","","","0.0765","0.0823","","","","","","1.032","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340882","22.1643","0.0016","15.6695","0.0012","10.7813","0.0008","90","","90","","90","","3744.4","0.5","110","2","110","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C26 H48 N4 O7 S2 V W -","- C26 H48 N4 O7 S2 V W -","- C104 H192 N16 O28 S8 V4 W4 -","4","0.5","","Pinder, Tiffany A.; Montalvo, Steven K.; Hsieh, Chung-Hung; Lunsford, Allen M.; Bethel, Ryan D.; Pierce, Brad S.; Darensbourg, Marcetta Y.","Metallodithiolates as ligands to dinitrosyl iron complexes: toward the understanding of structures, equilibria, and spin coupling.","Inorganic chemistry","2014","53","17","9095","9105","10.1021/ic501117f","","","0.71073","MoKα","","0.0459","0.0319","","","0.0694","0.0723","","","","","","1.012","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340883","14.303","0.005","16.389","0.006","19.923","0.007","90","","90","","90","","4670","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H24 Fe I N4 O2 -","- C21 H24 Fe I N4 O2 -","- C168 H192 Fe8 I8 N32 O16 -","8","1","","Pinder, Tiffany A.; Montalvo, Steven K.; Hsieh, Chung-Hung; Lunsford, Allen M.; Bethel, Ryan D.; Pierce, Brad S.; Darensbourg, Marcetta Y.","Metallodithiolates as ligands to dinitrosyl iron complexes: toward the understanding of structures, equilibria, and spin coupling.","Inorganic chemistry","2014","53","17","9095","9105","10.1021/ic501117f","","","0.71073","MoKα","","0.0561","0.0334","","","0.0703","0.0793","","","","","","1.025","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340884","10.274","0.003","15.992","0.005","13.674","0.004","90","","91.237","0.003","90","","2246.1","1.2","110.15","","110.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Fe2 I2 N6 Ni O4 S2 -","- C10 H20 Fe2 I2 N6 Ni O4 S2 -","- C40 H80 Fe8 I8 N24 Ni4 O16 S8 -","4","1","","Pinder, Tiffany A.; Montalvo, Steven K.; Hsieh, Chung-Hung; Lunsford, Allen M.; Bethel, Ryan D.; Pierce, Brad S.; Darensbourg, Marcetta Y.","Metallodithiolates as ligands to dinitrosyl iron complexes: toward the understanding of structures, equilibria, and spin coupling.","Inorganic chemistry","2014","53","17","9095","9105","10.1021/ic501117f","","","0.71073","MoKα","","0.0359","0.0304","","","0.0685","0.0709","","","","","","1.036","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340885","8.764","0.007","10.583","0.008","13.888","0.011","102.983","0.009","99.382","0.009","113.174","0.009","1107.5","1.5","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H28 Fe I N4 O4 S2 V -","- C14 H28 Fe I N4 O4 S2 V -","- C28 H56 Fe2 I2 N8 O8 S4 V2 -","2","1","","Pinder, Tiffany A.; Montalvo, Steven K.; Hsieh, Chung-Hung; Lunsford, Allen M.; Bethel, Ryan D.; Pierce, Brad S.; Darensbourg, Marcetta Y.","Metallodithiolates as ligands to dinitrosyl iron complexes: toward the understanding of structures, equilibria, and spin coupling.","Inorganic chemistry","2014","53","17","9095","9105","10.1021/ic501117f","","","0.71073","MoKα","","0.0355","0.0275","","","0.0611","0.0642","","","","","","1.079","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340886","8.3519","0.0002","8.3519","0.0002","9.0845","0.0004","90","","90","","120","","548.79","0.03","299","2","299","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al7 Mn3 Sc3 Si5 -","- Al7 Mn3 Sc3 Si5 -","- Al14 Mn6 Sc6 Si10 -","2","0.0833333","","He, Hua; Miiller, Wojciech; Aronson, Meigan C.","New Kagome Metal Sc3Mn3Al7Si5 and Its Gallium-Doped Analogues: Synthesis, Crystal Structure, and Physical Properties.","Inorganic chemistry","2014","53","17","9115","9121","10.1021/ic501088t","","","0.71073","MoKα","","0.0148","0.0148","","","0.0458","0.0458","","","","","","1.085","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340887","28.983","0.008","11.245","0.003","20.015","0.005","90","","97.013","0.004","90","","6474","3","199","2","199","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 B Cl3 F6 Fe2 N4 Tl -","- C29 H22 B Cl3 F6 Fe2 N4 Tl -","- C232 H176 B8 Cl24 F48 Fe16 N32 Tl8 -","8","1","","Sirianni, Eric R.; Yap, Glenn P. A.; Theopold, Klaus H.","Ferrocenyl-Substituted Tris(pyrazolyl)borates-A New Ligand Type Combining Redox Activity with Resistance to Hydrogen Atom Abstraction.","Inorganic chemistry","2014","53","17","9424","9430","10.1021/ic5015658","","","0.71073","MoKα","","0.0987","0.0478","","","0.0752","0.0882","","","","","","1.061","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340888","7.4987","0.001","23.029","0.003","19.906","0.003","90","","94.727","0.003","90","","3425.8","0.8","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 B Fe3 N6 Tl -","- C39 H34 B Fe3 N6 Tl -","- C156 H136 B4 Fe12 N24 Tl4 -","4","1","","Sirianni, Eric R.; Yap, Glenn P. A.; Theopold, Klaus H.","Ferrocenyl-Substituted Tris(pyrazolyl)borates-A New Ligand Type Combining Redox Activity with Resistance to Hydrogen Atom Abstraction.","Inorganic chemistry","2014","53","17","9424","9430","10.1021/ic5015658","","","0.71073","MoKα","","0.0749","0.0414","","","0.0763","0.0873","","","","","","0.996","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340889","11.5633","0.0007","13.6431","0.0008","14.394","0.0009","71.378","0.001","77.611","0.001","71.246","0.001","2021.8","0.2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H46 B Fe3 N6 O S Tl -","- C44 H46 B Fe3 N6 O S Tl -","- C88 H92 B2 Fe6 N12 O2 S2 Tl2 -","2","1","","Sirianni, Eric R.; Yap, Glenn P. A.; Theopold, Klaus H.","Ferrocenyl-Substituted Tris(pyrazolyl)borates-A New Ligand Type Combining Redox Activity with Resistance to Hydrogen Atom Abstraction.","Inorganic chemistry","2014","53","17","9424","9430","10.1021/ic5015658","","","0.71073","MoKα","","0.0211","0.0197","","","0.052","0.0528","","","","","","1.03","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340890","21.384","0.003","21.384","0.003","16.938","0.004","90","","90","","120","","6708","2","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H104 B2 Fe6 N12 Tl2 -","- C96 H104 B2 Fe6 N12 Tl2 -","- C288 H312 B6 Fe18 N36 Tl6 -","3","0.166667","","Sirianni, Eric R.; Yap, Glenn P. A.; Theopold, Klaus H.","Ferrocenyl-Substituted Tris(pyrazolyl)borates-A New Ligand Type Combining Redox Activity with Resistance to Hydrogen Atom Abstraction.","Inorganic chemistry","2014","53","17","9424","9430","10.1021/ic5015658","","","0.71073","MoKα","","0.0906","0.0484","","","0.0764","0.088","","","","","","0.965","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340891","10.6673","0.0016","11.2558","0.0017","18.13","0.003","95.653","0.003","90.62","0.003","110.879","0.002","2021.5","0.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H31 B F9 Fe3 N6 Tl -","- C42 H31 B F9 Fe3 N6 Tl -","- C84 H62 B2 F18 Fe6 N12 Tl2 -","2","1","","Sirianni, Eric R.; Yap, Glenn P. A.; Theopold, Klaus H.","Ferrocenyl-Substituted Tris(pyrazolyl)borates-A New Ligand Type Combining Redox Activity with Resistance to Hydrogen Atom Abstraction.","Inorganic chemistry","2014","53","17","9424","9430","10.1021/ic5015658","","","0.71073","MoKα","","0.0801","0.0488","","","0.0935","0.1045","","","","","","1.01","","","","has coordinates,has disorder","179511","2020-10-21","18:00:00",""
"4340892","11.8746","0.0014","13.8172","0.0017","23.992","0.003","90","","102.011","0.002","90","","3850.3","0.8","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 B Fe3 N6 Tl -","- C45 H38 B Fe3 N6 Tl -","- C180 H152 B4 Fe12 N24 Tl4 -","4","1","","Sirianni, Eric R.; Yap, Glenn P. A.; Theopold, Klaus H.","Ferrocenyl-Substituted Tris(pyrazolyl)borates-A New Ligand Type Combining Redox Activity with Resistance to Hydrogen Atom Abstraction.","Inorganic chemistry","2014","53","17","9424","9430","10.1021/ic5015658","","","0.71073","MoKα","","0.0509","0.0338","","","0.0671","0.0727","","","","","","1.028","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340893","12.4131","0.0008","12.5355","0.0008","13.3993","0.0008","107.924","0.001","113.871","0.0009","100.707","0.001","1694.79","0.19","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H34 B Fe3 N6 Tl -","- C39 H34 B Fe3 N6 Tl -","- C78 H68 B2 Fe6 N12 Tl2 -","2","1","","Sirianni, Eric R.; Yap, Glenn P. A.; Theopold, Klaus H.","Ferrocenyl-Substituted Tris(pyrazolyl)borates-A New Ligand Type Combining Redox Activity with Resistance to Hydrogen Atom Abstraction.","Inorganic chemistry","2014","53","17","9424","9430","10.1021/ic5015658","","","0.71073","MoKα","","0.0332","0.0261","","","0.0534","0.0561","","","","","","1.018","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340894","13.0542","0.0007","13.1951","0.0007","13.369","0.0007","108.331","0.001","106.435","0.001","109.841","0.001","1850.07","0.17","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 B Fe3 N6 Tl -","- C42 H40 B Fe3 N6 Tl -","- C84 H80 B2 Fe6 N12 Tl2 -","2","1","","Sirianni, Eric R.; Yap, Glenn P. A.; Theopold, Klaus H.","Ferrocenyl-Substituted Tris(pyrazolyl)borates-A New Ligand Type Combining Redox Activity with Resistance to Hydrogen Atom Abstraction.","Inorganic chemistry","2014","53","17","9424","9430","10.1021/ic5015658","","","0.71073","MoKα","","0.0367","0.0289","","","0.0599","0.0639","","","","","","1.012","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340895","12.166","0.005","12.166","0.005","12.537","0.005","90","","90","","120","","1607","1.1","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","cerium tellurium vanadate","","","- Ce O20 Te3 V3 -","- Ce O20 Te3 V3 -","- Ce4 O80 Te12 V12 -","4","0.166667","","Lin, Jian; Diefenbach, Kariem; Fu, Jingcheng; Cross, Justin N.; Clark, Ronald J.; Albrecht-Schmitt, Thomas E","LnV3Te3O15(OH)3·nH2O (Ln = Ce, Pr, Nd, Sm, Eu, Gd; n = 1-2): A New Series of Semiconductors with Mixed-Valent Tellurium (IV,VI) Oxoanions.","Inorganic chemistry","2014","53","17","9058","9064","10.1021/ic501068e","","","0.71073","MoKα","","0.0427","0.0389","","","0.0992","0.1017","","","","","","1.149","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340896","12.1147","0.0009","12.1147","0.0009","12.4949","0.0009","90","","90","","120","","1588.1","0.2","296","2","296","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","praseodymium tellurium vanadate","","","- O20 Pr Te3 V3 -","- O20 Pr Te3 V3 -","- O80 Pr4 Te12 V12 -","4","0.166667","","Lin, Jian; Diefenbach, Kariem; Fu, Jingcheng; Cross, Justin N.; Clark, Ronald J.; Albrecht-Schmitt, Thomas E","LnV3Te3O15(OH)3·nH2O (Ln = Ce, Pr, Nd, Sm, Eu, Gd; n = 1-2): A New Series of Semiconductors with Mixed-Valent Tellurium (IV,VI) Oxoanions.","Inorganic chemistry","2014","53","17","9058","9064","10.1021/ic501068e","","","0.71073","MoKα","","0.0433","0.0396","","","0.1044","0.1074","","","","","","1.139","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340897","12.1075","0.0014","12.1075","0.0014","12.4572","0.0015","90","","90","","120","","1581.5","0.3","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","neodymium tellurium vanadate","","","- Nd O19 Te3 V3 -","- Nd O19 Te3 V3 -","- Nd4 O76 Te12 V12 -","4","0.166667","","Lin, Jian; Diefenbach, Kariem; Fu, Jingcheng; Cross, Justin N.; Clark, Ronald J.; Albrecht-Schmitt, Thomas E","LnV3Te3O15(OH)3·nH2O (Ln = Ce, Pr, Nd, Sm, Eu, Gd; n = 1-2): A New Series of Semiconductors with Mixed-Valent Tellurium (IV,VI) Oxoanions.","Inorganic chemistry","2014","53","17","9058","9064","10.1021/ic501068e","","","0.71073","MoKα","","0.0285","0.028","","","0.0895","0.0899","","","","","","1.226","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340898","12.1068","0.0006","12.1068","0.0006","12.4509","0.0006","90","","90","","120","","1580.48","0.13","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","samarium tellurium vanadate","","","- O19 Sm Te3 V3 -","- O19 Sm Te3 V3 -","- O76 Sm4 Te12 V12 -","4","0.166667","","Lin, Jian; Diefenbach, Kariem; Fu, Jingcheng; Cross, Justin N.; Clark, Ronald J.; Albrecht-Schmitt, Thomas E","LnV3Te3O15(OH)3·nH2O (Ln = Ce, Pr, Nd, Sm, Eu, Gd; n = 1-2): A New Series of Semiconductors with Mixed-Valent Tellurium (IV,VI) Oxoanions.","Inorganic chemistry","2014","53","17","9058","9064","10.1021/ic501068e","","","0.71073","MoKα","","0.0264","0.0261","","","0.081","0.0812","","","","","","1.25","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340899","12.0731","0.0009","12.0731","0.0009","12.3674","0.001","90","","90","","120","","1561.2","0.2","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","europium tellurium vanadate","","","- Eu O19 Te3 V3 -","- Eu O19 Te3 V3 -","- Eu4 O76 Te12 V12 -","4","0.166667","","Lin, Jian; Diefenbach, Kariem; Fu, Jingcheng; Cross, Justin N.; Clark, Ronald J.; Albrecht-Schmitt, Thomas E","LnV3Te3O15(OH)3·nH2O (Ln = Ce, Pr, Nd, Sm, Eu, Gd; n = 1-2): A New Series of Semiconductors with Mixed-Valent Tellurium (IV,VI) Oxoanions.","Inorganic chemistry","2014","53","17","9058","9064","10.1021/ic501068e","","","0.71073","MoKα","","0.0386","0.0357","","","0.0998","0.1028","","","","","","1.215","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340900","12.0745","0.0013","12.0745","0.0013","12.3701","0.0014","90","","90","","120","","1561.9","0.3","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","gadolinium tellurium vanadate","","","- Gd O19 Te3 V3 -","- Gd O19 Te3 V3 -","- Gd4 O76 Te12 V12 -","4","0.166667","","Lin, Jian; Diefenbach, Kariem; Fu, Jingcheng; Cross, Justin N.; Clark, Ronald J.; Albrecht-Schmitt, Thomas E","LnV3Te3O15(OH)3·nH2O (Ln = Ce, Pr, Nd, Sm, Eu, Gd; n = 1-2): A New Series of Semiconductors with Mixed-Valent Tellurium (IV,VI) Oxoanions.","Inorganic chemistry","2014","53","17","9058","9064","10.1021/ic501068e","","","0.71073","MoKα","","0.0242","0.0228","","","0.071","0.0717","","","","","","1.177","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340901","9.7449","0.0004","35.18","0.0015","30.5184","0.0014","90","","94.685","0.001","90","","10427.5","0.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Al B Br3 P -","- C34 H46 Al B Br3 P -","- C408 H552 Al12 B12 Br36 P12 -","12","3","","Uhl, Werner; Appelt, Christian; Wollschläger, Agnes; Hepp, Alexander; Würthwein, Ernst-Ulrich","An Al/P-Based Frustrated Lewis Pair as an Efficient Ambiphilic Ligand: Coordination of Boron Trihalides, Rearrangement, and Formation of HBX2 Complexes (X = Br, I).","Inorganic chemistry","2014","53","17","8991","8999","10.1021/ic5009126","","","0.71073","MoKα","","0.0605","0.0379","","","0.0854","0.0943","","","","","","1.044","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340902","12.1587","0.0007","14.4669","0.0006","20.8678","0.0012","90","","105.568","0.005","90","","3536","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 Al B F I3 P -","- C33 H40 Al B F I3 P -","- C132 H160 Al4 B4 F4 I12 P4 -","4","1","","Uhl, Werner; Appelt, Christian; Wollschläger, Agnes; Hepp, Alexander; Würthwein, Ernst-Ulrich","An Al/P-Based Frustrated Lewis Pair as an Efficient Ambiphilic Ligand: Coordination of Boron Trihalides, Rearrangement, and Formation of HBX2 Complexes (X = Br, I).","Inorganic chemistry","2014","53","17","8991","8999","10.1021/ic5009126","","","0.71069","MoKα","","0.0457","0.0274","","","0.0583","0.0618","","","","","","0.901","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340903","44.024","0.006","44.024","0.006","9.6649","0.0019","90","","90","","120","","16222","4","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C34 H46 Al B Cl3 P -","- C34 H46 Al B Cl3 P -","- C612 H828 Al18 B18 Cl54 P18 -","18","1","","Uhl, Werner; Appelt, Christian; Wollschläger, Agnes; Hepp, Alexander; Würthwein, Ernst-Ulrich","An Al/P-Based Frustrated Lewis Pair as an Efficient Ambiphilic Ligand: Coordination of Boron Trihalides, Rearrangement, and Formation of HBX2 Complexes (X = Br, I).","Inorganic chemistry","2014","53","17","8991","8999","10.1021/ic5009126","","","0.71073","MoKα","","0.1037","0.048","","","0.0878","0.1002","","","","","","0.893","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340904","9.4052","0.0005","12.1137","0.0006","17.5403","0.001","92.427","0.004","103.066","0.004","104.463","0.004","1874.6","0.18","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H50 Al B F5 P -","- C40 H50 Al B F5 P -","- C80 H100 Al2 B2 F10 P2 -","2","1","","Uhl, Werner; Appelt, Christian; Wollschläger, Agnes; Hepp, Alexander; Würthwein, Ernst-Ulrich","An Al/P-Based Frustrated Lewis Pair as an Efficient Ambiphilic Ligand: Coordination of Boron Trihalides, Rearrangement, and Formation of HBX2 Complexes (X = Br, I).","Inorganic chemistry","2014","53","17","8991","8999","10.1021/ic5009126","","","0.71073","MoKα","","0.1009","0.0591","","","0.1485","0.1645","","","","","","0.931","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340905","11.8923","0.0004","13.143","0.0004","13.707","0.0004","64.751","0.001","66.522","0.001","75.384","0.001","1768.52","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H53 K4 N18 O7.5 Re6 S8 -","- C43 H41.5 K4 N18 O7.5 Re6 S8 -","- C43 H41.5 K4 N18 O7.5 Re6 S8 -","1","0.5","","Shestopalov, Michael A.; Zubareva, Kristina E.; Khripko, Olga P.; Khripko, Yuri I.; Solovieva, Anastasiya O.; Kuratieva, Natalia V.; Mironov, Yuri V.; Kitamura, Noboru; Fedorov, Vladimir E.; Brylev, Konstantin A.","The first water-soluble hexarhenium cluster complexes with a heterocyclic ligand environment: synthesis, luminescence, and biological properties.","Inorganic chemistry","2014","53","17","9006","9013","10.1021/ic500553v","","x-ray","0.71073","MoKα","","0.0443","0.0307","","","0.0753","0.0792","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340906","15.3922","0.0004","21.7391","0.0005","23.2431","0.0006","90","","92.935","0.001","90","","7767.2","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H57.25 K2.75 N18 O10 Re6 Se8 -","- C42 H35 K2.75 N18 O9.99 Re6 Se8 -","- C168 H140 K11 N72 O39.96 Re24 Se32 -","4","1","","Shestopalov, Michael A.; Zubareva, Kristina E.; Khripko, Olga P.; Khripko, Yuri I.; Solovieva, Anastasiya O.; Kuratieva, Natalia V.; Mironov, Yuri V.; Kitamura, Noboru; Fedorov, Vladimir E.; Brylev, Konstantin A.","The first water-soluble hexarhenium cluster complexes with a heterocyclic ligand environment: synthesis, luminescence, and biological properties.","Inorganic chemistry","2014","53","17","9006","9013","10.1021/ic500553v","","x-ray","0.71073","MoKα","","0.0743","0.0387","","","0.1186","0.1318","","","","","","1.14","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340907","15.1541","0.0007","12.0215","0.0005","15.4235","0.0007","90","","118.795","0.002","90","","2462.3","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N5 O6 Zn -","- C27 H23 N5 O6 Zn -","- C108 H92 N20 O24 Zn4 -","4","1","","Nugent, Joseph W.; Lee, Hyunjung; Lee, Hee-Seung; Reibenspies, Joseph H.; Hancock, Robert D.","The Effect of π Contacts between Metal Ions and Fluorophores on the Fluorescence of PET Sensors: Implications for Sensor Design for Cations and Anions.","Inorganic chemistry","2014","53","17","9014","9026","10.1021/ic5008632","","","1.54178","CuKα","","0.0424","0.04","","","0.1125","0.115","","","","","","1.035","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340908","10.763","0.0019","17.963","0.003","13.18","0.002","90","","104.991","0.008","90","","2461.4","0.7","110","2","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Ag N4 O4 -","- C28 H27 Ag N4 O4 -","- C112 H108 Ag4 N16 O16 -","4","1","","Nugent, Joseph W.; Lee, Hyunjung; Lee, Hee-Seung; Reibenspies, Joseph H.; Hancock, Robert D.","The Effect of π Contacts between Metal Ions and Fluorophores on the Fluorescence of PET Sensors: Implications for Sensor Design for Cations and Anions.","Inorganic chemistry","2014","53","17","9014","9026","10.1021/ic5008632","","x-ray","0.71073","MoKα","K-L~3~","0.0711","0.039","","","0.0783","0.0927","","","","","","1.045","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340909","10.4892","0.0016","15.84","0.003","16.031","0.005","90","","109.07","0.012","90","","2517.4","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N5 O6 Pb -","- C27 H23 N5 O6 Pb -","- C108 H92 N20 O24 Pb4 -","4","1","","Nugent, Joseph W.; Lee, Hyunjung; Lee, Hee-Seung; Reibenspies, Joseph H.; Hancock, Robert D.","The Effect of π Contacts between Metal Ions and Fluorophores on the Fluorescence of PET Sensors: Implications for Sensor Design for Cations and Anions.","Inorganic chemistry","2014","53","17","9014","9026","10.1021/ic5008632","","","0.71073","MoKα","","0.0292","0.021","","","0.0449","0.047","","","","","","1.047","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340910","7.5393","0.0003","10.1956","0.0004","16.2874","0.0006","84.04","0.003","81.944","0.003","75.147","0.003","1195.18","0.08","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 N5 O6 Pd -","- C27 H23 N5 O6 Pd -","- C54 H46 N10 O12 Pd2 -","2","1","","Nugent, Joseph W.; Lee, Hyunjung; Lee, Hee-Seung; Reibenspies, Joseph H.; Hancock, Robert D.","The Effect of π Contacts between Metal Ions and Fluorophores on the Fluorescence of PET Sensors: Implications for Sensor Design for Cations and Anions.","Inorganic chemistry","2014","53","17","9014","9026","10.1021/ic5008632","","x-ray","1.54178","CuKα","","0.0343","0.0292","","","0.0782","0.0972","","","","","","1.061","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340911","13.6309","0.001","8.8751","0.0005","20.8287","0.0014","90","","103.443","0.005","90","","2450.7","0.3","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Br2 Cd N3 -","- C27 H23 Br2 Cd N3 -","- C108 H92 Br8 Cd4 N12 -","4","1","","Nugent, Joseph W.; Lee, Hyunjung; Lee, Hee-Seung; Reibenspies, Joseph H.; Hancock, Robert D.","The Effect of π Contacts between Metal Ions and Fluorophores on the Fluorescence of PET Sensors: Implications for Sensor Design for Cations and Anions.","Inorganic chemistry","2014","53","17","9014","9026","10.1021/ic5008632","","x-ray","1.54178","CuKα","","0.0655","0.0422","","","0.0944","0.1011","","","","","","0.99","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340912","9.2096","0.0015","10.9906","0.0019","11.159","0.002","111.15","0.018","91.965","0.015","93.371","0.014","1049.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 Co2 N12 O12 -","- C34 H48 Co2 N12 O12 -","- C34 H48 Co2 N12 O12 -","1","0.5","","Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Sabbatini, Alessandra; Drew, Michael G. B.; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J. L.","Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles.","Inorganic chemistry","2014","53","18","9946","9958","10.1021/ic501704g","","","0.71073","MoKα","","0.1286","0.095","","","0.247","0.2735","","","","","","1.09","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340913","10.547","0.0012","22.471","0.002","9.1277","0.0009","90","","95.674","0.009","90","","2152.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cu N6 O7 S -","- C17 H17.486 Cu N6 O7 S -","- C68 H69.944 Cu4 N24 O28 S4 -","4","1","","Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Sabbatini, Alessandra; Drew, Michael G. B.; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J. L.","Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles.","Inorganic chemistry","2014","53","18","9946","9958","10.1021/ic501704g","","","0.71073","MoKα","","0.1205","0.0873","","","0.2046","0.2252","","","","","","1.076","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340914","31.826","0.004","31.826","0.004","7.5966","0.0011","90","","90","","120","","6663.7","1.5","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H14 Cu N4 O7 S -","- C10 H14 Cu N4 O7 S -","- C180 H252 Cu18 N72 O126 S18 -","18","1","","Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Sabbatini, Alessandra; Drew, Michael G. B.; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J. L.","Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles.","Inorganic chemistry","2014","53","18","9946","9958","10.1021/ic501704g","","","0.71073","MoKα","","0.0949","0.059","","","0.1207","0.1362","","","","","","0.997","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340915","9.2685","0.0009","10.0309","0.0009","11.6641","0.001","102.238","0.008","97.299","0.008","117.211","0.009","910.66","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Cu N12 O12 S2 -","- C30 H30 Cu N12 O12 S2 -","- C30 H30 Cu N12 O12 S2 -","1","0.5","","Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Sabbatini, Alessandra; Drew, Michael G. B.; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J. L.","Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles.","Inorganic chemistry","2014","53","18","9946","9958","10.1021/ic501704g","","","0.71073","MoKα","","0.0635","0.0493","","","0.108","0.1173","","","","","","1.002","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340916","11.0286","0.0007","8.175","0.0006","20.3318","0.0014","90","","104.72","0.007","90","","1772.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Cu N5 O5 S -","- C16 H13 Cu N5 O5 S -","- C64 H52 Cu4 N20 O20 S4 -","4","1","","Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Sabbatini, Alessandra; Drew, Michael G. B.; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J. L.","Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles.","Inorganic chemistry","2014","53","18","9946","9958","10.1021/ic501704g","","","0.71073","MoKα","","0.1241","0.0585","","","0.1109","0.1364","","","","","","0.939","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340917","31.6276","0.0014","31.6276","0.0014","6.9552","0.0008","90","","90","","120","","6025.2","0.8","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C11 H13 Cu N3 O7 -","- C11 H11 Cu N3 O7 -","- C198 H198 Cu18 N54 O126 -","18","1","","Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Sabbatini, Alessandra; Drew, Michael G. B.; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J. L.","Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles.","Inorganic chemistry","2014","53","18","9946","9958","10.1021/ic501704g","","","0.71073","MoKα","","0.1122","0.0938","","","0.2128","0.2233","","","","","","1.24","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340918","7.7521","0.0008","10.8157","0.001","12.9221","0.0016","102.912","0.009","106.981","0.01","95.981","0.008","993.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Cu N5 O7 S -","- C16 H17 Cu N5 O7 S -","- C32 H34 Cu2 N10 O14 S2 -","2","1","","Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Sabbatini, Alessandra; Drew, Michael G. B.; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J. L.","Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles.","Inorganic chemistry","2014","53","18","9946","9958","10.1021/ic501704g","","","0.71073","MoKα","","0.1115","0.0682","","","0.1228","0.1416","","","","","","1.014","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340919","16.6413","0.0014","7.2187","0.0005","14.3011","0.0009","90","","101.914","0.006","90","","1681","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cu N4 O6 S -","- C15 H14 Cu N4 O6 S -","- C60 H56 Cu4 N16 O24 S4 -","4","1","","Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Sabbatini, Alessandra; Drew, Michael G. B.; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J. L.","Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles.","Inorganic chemistry","2014","53","18","9946","9958","10.1021/ic501704g","","","0.71073","MoKα","","0.0987","0.0708","","","0.1683","0.1834","","","","","","1.067","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340920","9.3042","0.0007","33.518","0.003","11.3289","0.0012","90","","95.325","0.008","90","","3517.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Cu3 N10 O13 S -","- C29 H28 Cu3 N10 O13 S -","- C116 H112 Cu12 N40 O52 S4 -","4","1","","Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Sabbatini, Alessandra; Drew, Michael G. B.; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J. L.","Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles.","Inorganic chemistry","2014","53","18","9946","9958","10.1021/ic501704g","","","0.71073","MoKα","","0.1511","0.0897","","","0.1833","0.2049","","","","","","1.101","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340921","24.4955","0.001","9.101","0.0003","17.6828","0.0008","90","","110.955","0.005","90","","3681.4","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cu N6 O5 S -","- C16 H14 Cu N6 O5 S -","- C128 H112 Cu8 N48 O40 S8 -","8","1","","Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Sabbatini, Alessandra; Drew, Michael G. B.; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J. L.","Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles.","Inorganic chemistry","2014","53","18","9946","9958","10.1021/ic501704g","","","0.71073","MoKα","","0.0615","0.0449","","","0.0965","0.1046","","","","","","1.008","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340922","21.4406","0.0019","12.8833","0.0012","17.7933","0.0016","90","","100.544","0.001","90","","4832","0.8","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H27 N O2 Pt -","- C26 H27 N O2 Pt -","- C208 H216 N8 O16 Pt8 -","8","1","","Park, Hee-Jun; Ko, Soo-Byung; Wyman, Ian W.; Wang, Suning","Selective sensitization of Eu(III) and Tb(III) emission with triarylboron-functionalized dipicolinic acids.","Inorganic chemistry","2014","53","18","9751","9760","10.1021/ic501335e","","","0.71073","MoKα","","0.0506","0.0329","","","0.0652","0.0704","","","","","","1.041","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340923","27.5452","0.0013","14.5077","0.0005","19.3707","0.001","90","","114.902","0.006","90","","7021.2","0.6","293","","293","","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 N3 O8.5 Y -","- C27 H38 N3 O8.5 Y -","- C216 H304 N24 O68 Y8 -","8","1","","Lannes, Anthony; Intissar, Mourad; Suffren, Yan; Reber, Christian; Luneau, Dominique","Terbium(III) and yttrium(III) complexes with pyridine-substituted nitronyl nitroxide radical and different β-diketonate ligands. Crystal structures and magnetic and luminescence properties.","Inorganic chemistry","2014","53","18","9548","9560","10.1021/ic500779y","","","0.71073","MoKα","","0.1025","0.0571","","0.0906","0.0674","0.0602","","","","","","1.059","","","","has coordinates","270822","2021-11-23","08:36:48",""
"4340924","27.5929","0.0007","14.5138","0.0003","19.357","0.0006","90","","114.947","0.003","90","","7028.8","0.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 N3 O8.5 Tb -","- C27 H38 N3 O8.5 Tb -","- C216 H304 N24 O68 Tb8 -","8","1","","Lannes, Anthony; Intissar, Mourad; Suffren, Yan; Reber, Christian; Luneau, Dominique","Terbium(III) and yttrium(III) complexes with pyridine-substituted nitronyl nitroxide radical and different β-diketonate ligands. Crystal structures and magnetic and luminescence properties.","Inorganic chemistry","2014","53","18","9548","9560","10.1021/ic500779y","","","0.71073","MoKα","","0.0593","0.0396","","0.0584","0.0429","0.041","","","","","","1.0608","","","","has coordinates","270822","2021-11-23","08:36:48",""
"4340925","16.298","0.001","12.8383","0.0008","20.5399","0.0013","90","","110.724","0.003","90","","4019.7","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C30.5 H27 F18 N3 O8 Tb -","- C30.5 H27 F18 N3 O8 Tb -","- C122 H108 F72 N12 O32 Tb4 -","4","1","","Lannes, Anthony; Intissar, Mourad; Suffren, Yan; Reber, Christian; Luneau, Dominique","Terbium(III) and yttrium(III) complexes with pyridine-substituted nitronyl nitroxide radical and different β-diketonate ligands. Crystal structures and magnetic and luminescence properties.","Inorganic chemistry","2014","53","18","9548","9560","10.1021/ic500779y","","","1.54178","CuKα","","0.0708","0.0523","","","0.1291","0.1437","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340926","27.1941","0.0006","14.3819","0.0003","19.1278","0.0004","90","","115.621","0.001","90","","6745.4","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H90 N6 O17 Tb2 -","- C60 H90 N6 O17 Tb2 -","- C240 H360 N24 O68 Tb8 -","4","0.5","","Lannes, Anthony; Intissar, Mourad; Suffren, Yan; Reber, Christian; Luneau, Dominique","Terbium(III) and yttrium(III) complexes with pyridine-substituted nitronyl nitroxide radical and different β-diketonate ligands. Crystal structures and magnetic and luminescence properties.","Inorganic chemistry","2014","53","18","9548","9560","10.1021/ic500779y","","","1.54178","CuKα","","0.0463","0.0399","","","0.1063","0.1112","","","","","","1.034","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340927","14.4468","0.0013","15.0836","0.0013","18.8539","0.0017","102.465","0.004","102.943","0.004","92.014","0.005","3894.6","0.6","100","","100","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C61 H54 F36 N6 O16 Y2 -","- C61 H54 F36 N6 O16 Y2 -","- C122 H108 F72 N12 O32 Y4 -","2","1","","Lannes, Anthony; Intissar, Mourad; Suffren, Yan; Reber, Christian; Luneau, Dominique","Terbium(III) and yttrium(III) complexes with pyridine-substituted nitronyl nitroxide radical and different β-diketonate ligands. Crystal structures and magnetic and luminescence properties.","Inorganic chemistry","2014","53","18","9548","9560","10.1021/ic500779y","","","1.54178","CuKα","","0.0901","0.0788","","","0.2118","0.2194","","","","","","1.025","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340928","13.754","0.018","22.76","0.03","12.175","0.015","90","","90","","90","","3811","8","223","2","223","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C9 H10 Cr0.75 N3 O4 -","- C9 H10.5 Cr0.75 N3 O4 -","- C72 H84 Cr6 N24 O32 -","8","1","","Kongpatpanich, Kanokwan; Horike, Satoshi; Sugimoto, Masayuki; Fukushima, Tomohiro; Umeyama, Daiki; Tsutsumi, Yosuke; Kitagawa, Susumu","Synthesis and porous properties of chromium azolate porous coordination polymers.","Inorganic chemistry","2014","53","18","9870","9875","10.1021/ic501459m","","","0.71075","MoKα","","0.1679","0.1065","","","0.2725","0.297","","","","","","1.243","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340929","16.636","0.009","16.636","0.009","21.933","0.012","90","","90","","120","","5257","5","223","2","223","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C2 H Cl0.25 Cr0.25 N2 O0.08 -","- C2 H Cl0.25 Cr0.25 N2 O0.0833333 -","- C48 H24 Cl6 Cr6 N48 O2 -","24","1","","Kongpatpanich, Kanokwan; Horike, Satoshi; Sugimoto, Masayuki; Fukushima, Tomohiro; Umeyama, Daiki; Tsutsumi, Yosuke; Kitagawa, Susumu","Synthesis and porous properties of chromium azolate porous coordination polymers.","Inorganic chemistry","2014","53","18","9870","9875","10.1021/ic501459m","","","0.71075","MoKα","","0.0946","0.0703","","","0.197","0.2149","","","","","","1.059","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340930","20.949","0.008","6.507","0.002","16.4","0.006","90","","90","","90","","2235.6","1.4","223","2","223","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2.25 H Cr0.25 N2 O0.25 -","- C2.25 H Cr0.25 N2 O0.25 -","- C36 H16 Cr4 N32 O4 -","16","1","","Kongpatpanich, Kanokwan; Horike, Satoshi; Sugimoto, Masayuki; Fukushima, Tomohiro; Umeyama, Daiki; Tsutsumi, Yosuke; Kitagawa, Susumu","Synthesis and porous properties of chromium azolate porous coordination polymers.","Inorganic chemistry","2014","53","18","9870","9875","10.1021/ic501459m","","","0.71075","MoKα","","0.0979","0.0895","","","0.2878","0.2954","","","","","","1.291","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340931","71.433","0.009","12.8889","0.0016","38.595","0.005","90","","105.632","0.003","90","","34220","8","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H80 Ce2 N3 Na7 O102 W22 -","- C6 H16 Ce2 N3 Na0.5 O85 W22 -","- C72 H192 Ce24 N36 Na6 O1020 W264 -","12","1.5","","Chen, Wei-Chao; Wang, Xin-Long; Jiao, Yan-Qing; Huang, Peng; Zhou, En-Long; Su, Zhong-Min; Shao, Kui-Zhan","pH-controlled and sulfite anion-directed assembly of a family of cerium(III)-containing polyoxotungstates clusters.","Inorganic chemistry","2014","53","18","9486","9497","10.1021/ic500442k","","","0.71073","MoKα","","0.066","0.0404","","","0.0939","0.1008","","","","","","0.947","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340932","25.987","0.004","25.987","0.004","34.162","0.006","90","","90","","90","","23070","6","296","2","296","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C16 H146 Ce4 N8 Na16 O191 W44 -","- C16 H64 Ce4 N8 Na2 O180 W44 -","- C64 H256 Ce16 N32 Na8 O720 W176 -","4","0.25","","Chen, Wei-Chao; Wang, Xin-Long; Jiao, Yan-Qing; Huang, Peng; Zhou, En-Long; Su, Zhong-Min; Shao, Kui-Zhan","pH-controlled and sulfite anion-directed assembly of a family of cerium(III)-containing polyoxotungstates clusters.","Inorganic chemistry","2014","53","18","9486","9497","10.1021/ic500442k","","","0.71073","MoKα","","0.0571","0.0448","","","0.0949","0.1003","","","","","","1.03","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340933","19.321","0.0017","21.8489","0.0019","22.0152","0.0019","72.239","0.001","69.486","0.001","86.898","0.001","8274.8","1.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H92 Ce4 N2 Na4 O131 W28 -","- C4 H16 Ce4 N2 Na2.5 O121 W28 -","- C8 H32 Ce8 N4 Na5 O242 W56 -","2","1","","Chen, Wei-Chao; Wang, Xin-Long; Jiao, Yan-Qing; Huang, Peng; Zhou, En-Long; Su, Zhong-Min; Shao, Kui-Zhan","pH-controlled and sulfite anion-directed assembly of a family of cerium(III)-containing polyoxotungstates clusters.","Inorganic chemistry","2014","53","18","9486","9497","10.1021/ic500442k","","","0.71073","MoKα","","0.0884","0.0484","","","0.1105","0.1212","","","","","","0.924","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340934","15.929","0.002","16.781","0.002","27.229","0.004","78.097","0.002","79.359","0.002","65.014","0.002","6416.3","1.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C4 H65 Ce2 N2 Na7 O122 S3 W28 -","- C4 H16 Ce2 N2 Na0.5 O108 S3 W28 -","- C8 H32 Ce4 N4 Na O216 S6 W56 -","2","1","","Chen, Wei-Chao; Wang, Xin-Long; Jiao, Yan-Qing; Huang, Peng; Zhou, En-Long; Su, Zhong-Min; Shao, Kui-Zhan","pH-controlled and sulfite anion-directed assembly of a family of cerium(III)-containing polyoxotungstates clusters.","Inorganic chemistry","2014","53","18","9486","9497","10.1021/ic500442k","","","0.71073","MoKα","","0.0938","0.0708","","","0.1806","0.192","","","","","","1","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340935","17.8782","0.001","23.3128","0.0012","23.6398","0.0013","70.437","0.001","80.197","0.001","77.089","0.001","9000.4","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H136 Ce4 N2 Na18 O292 W72 -","- C4 H16 Ce4 N2 Na O273 W72 -","- C4 H16 Ce4 N2 Na O273 W72 -","1","0.5","","Chen, Wei-Chao; Wang, Xin-Long; Jiao, Yan-Qing; Huang, Peng; Zhou, En-Long; Su, Zhong-Min; Shao, Kui-Zhan","pH-controlled and sulfite anion-directed assembly of a family of cerium(III)-containing polyoxotungstates clusters.","Inorganic chemistry","2014","53","18","9486","9497","10.1021/ic500442k","","","0.71073","MoKα","","0.0944","0.0531","","","0.1176","0.1281","","","","","","0.915","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340936","15.6685","0.0001","15.6685","0.0001","15.6685","0.0001","90","","90","","90","","3846.65","0.04","293","2","293","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C36 H24 Co Mn2 N6 O14 -","- C36 H24 Co Mn2 N6 O14.01 -","- C144 H96 Co4 Mn8 N24 O56.04 -","4","0.166667","","Habjanič, Jelena; Jurić, Marijana; Popović, Jasminka; Molčanov, Krešimir; Pajić, Damir","A 3D oxalate-based network as a precursor for the CoMn₂O₄ spinel: synthesis and structural and magnetic studies.","Inorganic chemistry","2014","53","18","9633","9643","10.1021/ic501134y","","x-ray","1.54179","CuKα","","","0.0278","","","","0.0748","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340937","5.7235","0.0002","5.7235","0.0002","9.2695","0.0005","90","","90","","90","","303.65","0.02","296","2","296","2","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Cobalt Dimanganese(III) Oxide","","- Co Mn2 O4 -","- Co Mn2 O4 -","- Co4 Mn8 O16 -","4","0.125","","Habjanič, Jelena; Jurić, Marijana; Popović, Jasminka; Molčanov, Krešimir; Pajić, Damir","A 3D oxalate-based network as a precursor for the CoMn₂O₄ spinel: synthesis and structural and magnetic studies.","Inorganic chemistry","2014","53","18","9633","9643","10.1021/ic501134y","powder diffraction","","1.54176","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340938","12.81263","0.00019","13.0074","0.0002","19.3992","0.0004","94.1224","0.0015","103.947","0.0016","90.3027","0.0012","3128.76","0.1","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- H64 Na9 Nd O68 W10 -","- Na9 Nd O68 W10 -","- Na18 Nd2 O136 W20 -","2","1","","Baldoví, José J; Clemente-Juan, Juan M; Coronado, Eugenio; Duan, Yan; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos","Construction of a general library for the rational design of nanomagnets and spin qubits based on mononuclear f-block complexes. The polyoxometalate case.","Inorganic chemistry","2014","53","18","9976","9980","10.1021/ic501867d","","","0.71073","MoKα","","0.0541","0.0381","","","0.0863","0.0969","","","","","","1.105","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340939","12.767","0.003","13.004","0.003","16.143","0.004","69.312","0.003","67.999","0.003","80.74","0.004","2323.4","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 Cl2 N4 O20 Zn3 -","- C34 H40 Cl2 N4 O22 Zn3 -","- C68 H80 Cl4 N8 O44 Zn6 -","2","1","","Zheng, Zhi-Peng; Ou, Yan-Jun; Hong, Xu-Jia; Wei, Lei-Ming; Wan, Lin-Tao; Zhou, Wo-Hua; Zhan, Qing-Guang; Cai, Yue-Peng","Anion-dependent assembly of four sensitized near-infrared luminescent heteronuclear Zn(II)-Yb(III) Schiff base complexes from a trinuclear Zn(II) complex.","Inorganic chemistry","2014","53","18","9625","9632","10.1021/ic501118b","","","0.71073","MoKα","","0.1313","0.0631","","","0.1476","0.1909","","","","","","0.96","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340940","19.4563","0.0014","16.6268","0.0013","28.694","0.002","90","","90","","90","","9282.4","1.2","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H42 Cl N4 O16 Yb Zn2 -","- C38 H42 Cl N4 O16 Yb Zn2 -","- C304 H336 Cl8 N32 O128 Yb8 Zn16 -","8","1","","Zheng, Zhi-Peng; Ou, Yan-Jun; Hong, Xu-Jia; Wei, Lei-Ming; Wan, Lin-Tao; Zhou, Wo-Hua; Zhan, Qing-Guang; Cai, Yue-Peng","Anion-dependent assembly of four sensitized near-infrared luminescent heteronuclear Zn(II)-Yb(III) Schiff base complexes from a trinuclear Zn(II) complex.","Inorganic chemistry","2014","53","18","9625","9632","10.1021/ic501118b","","","0.71073","MoKα","","0.0869","0.05","","","0.1525","0.1676","","","","","","1.002","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340941","22.136","0.002","12.9487","0.0013","16.835","0.003","90","","130.278","0.001","90","","3681.4","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 N7 O13 Yb Zn -","- C30 H30 N7 O13 Yb Zn -","- C120 H120 N28 O52 Yb4 Zn4 -","4","0.5","","Zheng, Zhi-Peng; Ou, Yan-Jun; Hong, Xu-Jia; Wei, Lei-Ming; Wan, Lin-Tao; Zhou, Wo-Hua; Zhan, Qing-Guang; Cai, Yue-Peng","Anion-dependent assembly of four sensitized near-infrared luminescent heteronuclear Zn(II)-Yb(III) Schiff base complexes from a trinuclear Zn(II) complex.","Inorganic chemistry","2014","53","18","9625","9632","10.1021/ic501118b","","","0.71073","MoKα","","0.0727","0.0583","","","0.173","0.1861","","","","","","1.087","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340942","11.7194","0.0013","12.0286","0.0013","15.8321","0.0018","84.001","0.002","76.281","0.002","77.193","0.001","2111","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H37 Cl5 N4 O8 Yb2 Zn -","- C32 H37 Cl5 N4 O8 Yb2 Zn -","- C64 H74 Cl10 N8 O16 Yb4 Zn2 -","2","1","","Zheng, Zhi-Peng; Ou, Yan-Jun; Hong, Xu-Jia; Wei, Lei-Ming; Wan, Lin-Tao; Zhou, Wo-Hua; Zhan, Qing-Guang; Cai, Yue-Peng","Anion-dependent assembly of four sensitized near-infrared luminescent heteronuclear Zn(II)-Yb(III) Schiff base complexes from a trinuclear Zn(II) complex.","Inorganic chemistry","2014","53","18","9625","9632","10.1021/ic501118b","","","0.71073","MoKα","","0.0722","0.0487","","","0.121","0.1376","","","","","","1.054","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340943","8.502","0.003","17.38","0.006","20.062","0.007","109.339","0.004","98.788","0.004","100.564","0.004","2676","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 N2 O10 Yb Zn -","- C23 H27 N2 O10 Yb Zn -","- C92 H108 N8 O40 Yb4 Zn4 -","4","2","","Zheng, Zhi-Peng; Ou, Yan-Jun; Hong, Xu-Jia; Wei, Lei-Ming; Wan, Lin-Tao; Zhou, Wo-Hua; Zhan, Qing-Guang; Cai, Yue-Peng","Anion-dependent assembly of four sensitized near-infrared luminescent heteronuclear Zn(II)-Yb(III) Schiff base complexes from a trinuclear Zn(II) complex.","Inorganic chemistry","2014","53","18","9625","9632","10.1021/ic501118b","","","0.71073","MoKα","","0.07","0.0453","","","0.0976","0.1109","","","","","","0.996","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340944","19.438","0.003","16.621","0.003","28.614","0.005","90","","90","","90","","9245","3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H42 Cl N4 O16 Tb Zn2 -","- C38 H42 Cl N4 O16 Tb Zn2 -","- C304 H336 Cl8 N32 O128 Tb8 Zn16 -","8","1","","Zheng, Zhi-Peng; Ou, Yan-Jun; Hong, Xu-Jia; Wei, Lei-Ming; Wan, Lin-Tao; Zhou, Wo-Hua; Zhan, Qing-Guang; Cai, Yue-Peng","Anion-dependent assembly of four sensitized near-infrared luminescent heteronuclear Zn(II)-Yb(III) Schiff base complexes from a trinuclear Zn(II) complex.","Inorganic chemistry","2014","53","18","9625","9632","10.1021/ic501118b","","","0.71073","MoKα","","0.0816","0.0531","","","0.1555","0.1773","","","","","","1.061","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340945","20.8348","0.0016","20.8348","0.0016","14.064","0.002","90","","90","","90","","6105","1.1","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H23.82 Ca N2 O9.91 -","- C30 H22 Ca N2 O9.911 -","- C240 H176 Ca8 N16 O79.288 -","8","1","","Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.","Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.","Inorganic chemistry","2014","53","18","9932","9945","10.1021/ic501581c","","","0.71073","MoKα","","0.0695","0.0564","","","0.1428","0.1516","","","","","","1.033","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340946","15.585","0.004","21.919","0.005","8.214","0.002","90","","103.41","0.004","90","","2729.5","1.1","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H24 Ca N2 O12 -","- C30 H24 Ca N2 O12 -","- C120 H96 Ca4 N8 O48 -","4","1","","Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.","Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.","Inorganic chemistry","2014","53","18","9932","9945","10.1021/ic501581c","","","0.71073","MoKα","","0.0488","0.0438","","","0.0971","0.0995","","","","","","1.005","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340947","19.868","0.003","19.868","0.003","14.975","0.004","90","","90","","90","","5911","2","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H28.04 N2 O12.02 Sr -","- C30 H22 N2 O12.023 Sr -","- C240 H176 N16 O96.184 Sr8 -","8","1","","Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.","Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.","Inorganic chemistry","2014","53","18","9932","9945","10.1021/ic501581c","","","0.71073","MoKα","","0.079","0.0538","","","0.1118","0.1239","","","","","","1.03","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340948","19.9415","0.0009","19.9415","0.0009","14.9995","0.0013","90","","90","","90","","5964.8","0.6","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H28.1 N2 O12.05 Sr -","- C30 H22 N2 O12.047 Sr -","- C240 H176 N16 O96.376 Sr8 -","8","1","","Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.","Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.","Inorganic chemistry","2014","53","18","9932","9945","10.1021/ic501581c","","","0.71073","MoKα","","0.0356","0.0325","","","0.0841","0.086","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340949","19.03","0.005","19.03","0.005","14.797","0.007","90","","90","","90","","5359","3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H22 N2 O9 Sr -","- C30 H20 N2 O9 Sr -","- C240 H160 N16 O72 Sr8 -","8","1","","Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.","Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.","Inorganic chemistry","2014","53","18","9932","9945","10.1021/ic501581c","","","0.71073","MoKα","","0.1515","0.1329","","","0.3251","0.3373","","","","","","1.113","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340950","19.9232","0.0012","19.9232","0.0012","14.9716","0.0018","90","","90","","90","","5942.7","0.9","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H28.66 N2 O12.33 Sr -","- C30 H20 N2 O12.33 Sr -","- C240 H160 N16 O98.64 Sr8 -","8","1","","Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.","Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.","Inorganic chemistry","2014","53","18","9932","9945","10.1021/ic501581c","","","0.71073","MoKα","","0.0469","0.0404","","","0.1039","0.1062","","","","","","1.001","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340951","19.9537","0.001","19.9537","0.001","14.9778","0.0015","90","","90","","90","","5963.4","0.7","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H20 D7.97 N2 O11.99 Sr -","- C30 H20 D2 N2 O11.988 Sr -","- C240 H160 D16 N16 O95.904 Sr8 -","8","1","","Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.","Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.","Inorganic chemistry","2014","53","18","9932","9945","10.1021/ic501581c","","","0.71073","MoKα","","0.0495","0.0412","","","0.1027","0.1071","","","","","","1.063","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340952","7.091","0.0009","14.1845","0.0018","26.618","0.003","90","","90","","90","","2677.3","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 N2 O11 Sr -","- C30 H22 N2 O11 Sr -","- C120 H88 N8 O44 Sr4 -","4","1","","Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.","Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.","Inorganic chemistry","2014","53","18","9932","9945","10.1021/ic501581c","","","0.71073","MoKα","","0.035","0.0304","","","0.0646","0.0663","","","","","","1.031","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340953","14.5603","0.0002","18.124","0.0002","19.7259","0.0003","88.6456","0.0004","85.9254","0.0004","67.035","0.0008","4780.75","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H92 Br4 Cu4 P4 -","- C104 H92 Br4 Cu4 P4 -","- C208 H184 Br8 Cu8 P8 -","2","1","","Roesch, Philipp; Nitsch, Jörn; Lutz, Martin; Wiecko, Jelena; Steffen, Andreas; Müller, Christian","Synthesis and photoluminescence properties of an unprecedented phosphinine-Cu₄Br₄ cluster.","Inorganic chemistry","2014","53","18","9855","9859","10.1021/ic5014472","","","0.71073","MoKα","","0.0915","0.0629","","","0.1563","0.1668","","","","","","1.054","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340954","16.9326","0.0007","10.5828","0.0004","18.5416","0.0007","90","","97.046","0.002","90","","3297.5","0.2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C58 H103 Cl3 In2 N8 O3 -","- C50 H87 Cl3 In2 N4 O3 -","- C100 H174 Cl6 In4 N8 O6 -","2","0.5","","Osten, Kimberly M.; Aluthge, Dinesh C.; Patrick, Brian O.; Mehrkhodavandi, Parisa","Probing the role of secondary versus tertiary amine donor ligands for indium catalysts in lactide polymerization.","Inorganic chemistry","2014","53","18","9897","9906","10.1021/ic501529f","","","0.71073","MoKα","","0.0423","0.0287","","","0.0559","0.0591","","","","","","0.983","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340955","16.916","0.004","20.267","0.005","18.221","0.004","90","","91.699","0.003","90","","6244","3","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H99 Cl3 In2 N4 O3 -","- C62 H99 Cl3 In2 N4 O3 -","- C248 H396 Cl12 In8 N16 O12 -","4","2","","Osten, Kimberly M.; Aluthge, Dinesh C.; Patrick, Brian O.; Mehrkhodavandi, Parisa","Probing the role of secondary versus tertiary amine donor ligands for indium catalysts in lactide polymerization.","Inorganic chemistry","2014","53","18","9897","9906","10.1021/ic501529f","","","0.71073","MoKα","","0.1172","0.0846","","","0.2044","0.2342","","","","","","1.021","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340956","16.954","0.002","20.345","0.003","18.616","0.002","90","","91.959","0.003","90","","6417.4","1.4","100","1","90","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H95 Br3 In2 N4 O3 -","- C62 H95 Br3 In2 N4 O3 -","- C248 H380 Br12 In8 N16 O12 -","4","2","","Osten, Kimberly M.; Aluthge, Dinesh C.; Patrick, Brian O.; Mehrkhodavandi, Parisa","Probing the role of secondary versus tertiary amine donor ligands for indium catalysts in lactide polymerization.","Inorganic chemistry","2014","53","18","9897","9906","10.1021/ic501529f","","","0.71073","MoKα","","0.1209","0.0803","","","0.1978","0.221","","","","","","1.041","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340957","15.283","0.002","29.747","0.004","10.5653","0.0015","90","","93.482","0.004","90","","4794.4","1.1","90","1","90","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H74 Cl3 In2 N5 O3 -","- C42 H74 Cl3 In2 N5 O3 -","- C168 H296 Cl12 In8 N20 O12 -","4","1","","Osten, Kimberly M.; Aluthge, Dinesh C.; Patrick, Brian O.; Mehrkhodavandi, Parisa","Probing the role of secondary versus tertiary amine donor ligands for indium catalysts in lactide polymerization.","Inorganic chemistry","2014","53","18","9897","9906","10.1021/ic501529f","","","0.71073","MoKα","","0.0307","0.0258","","","0.0533","0.0549","","","","","","1.095","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340958","17.005","0.0019","16.31","0.0018","9.3627","0.0011","90","","90","","90","","2596.8","0.5","100","0.5","100","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","eiswe15","","","- C22 H26 Mo N2 S4 -","- C22 H26 Mo N2 S4 -","- C88 H104 Mo4 N8 S16 -","4","1","","Eckenhoff, William T.; Brennessel, William W.; Eisenberg, Richard","Light-driven hydrogen production from aqueous protons using molybdenum catalysts.","Inorganic chemistry","2014","53","18","9860","9869","10.1021/ic501440a","","","0.71073","MoKα","","0.0746","0.0421","","","0.0743","0.0841","","","","","","1.016","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340959","14.6871","0.0018","9.1168","0.0011","20.105","0.002","90","","90.869","0.002","90","","2691.7","0.5","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","eiswe101","","","- C24 H30 Mo N2 S4 -","- C24 H30 Mo N2 S4 -","- C96 H120 Mo4 N8 S16 -","4","1","","Eckenhoff, William T.; Brennessel, William W.; Eisenberg, Richard","Light-driven hydrogen production from aqueous protons using molybdenum catalysts.","Inorganic chemistry","2014","53","18","9860","9869","10.1021/ic501440a","","","0.71073","MoKα","","0.1083","0.0569","","","0.0906","0.1038","","","","","","1.021","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340960","18.0529","0.001","9.0139","0.0005","18.1341","0.001","90","","90","","90","","2950.9","0.3","223","2","223","2","","","","","","","","6","C m c m","-C 2c 2","63","eiswe17","","","- C22 H18 Cl4 Mo N2 S4 -","- C22 H18 Cl4 Mo N2 S4 -","- C88 H72 Cl16 Mo4 N8 S16 -","4","0.25","","Eckenhoff, William T.; Brennessel, William W.; Eisenberg, Richard","Light-driven hydrogen production from aqueous protons using molybdenum catalysts.","Inorganic chemistry","2014","53","18","9860","9869","10.1021/ic501440a","","","0.71073","MoKα","","0.0473","0.0356","","","0.0947","0.1021","","","","","","1.031","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340961","18.879","0.002","10.0575","0.0011","27.882","0.003","90","","90","","90","","5294.1","1","100","0.5","100","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","eiswe27","","","- C28 H22 Mo N2 S4 -","- C28 H22 Mo N2 S4 -","- C224 H176 Mo8 N16 S32 -","8","2","","Eckenhoff, William T.; Brennessel, William W.; Eisenberg, Richard","Light-driven hydrogen production from aqueous protons using molybdenum catalysts.","Inorganic chemistry","2014","53","18","9860","9869","10.1021/ic501440a","","","0.71073","MoKα","","0.0735","0.0461","","","0.0942","0.1101","","","","","","1.023","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340962","10.267","0.0012","13.6295","0.0016","19.75","0.002","90","","98.912","0.002","90","","2730.3","0.5","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","eiswe30","","","- C28 H22 Mo N2 O2 S4 -","- C28 H22 Mo N2 O2 S4 -","- C112 H88 Mo4 N8 O8 S16 -","4","1","","Eckenhoff, William T.; Brennessel, William W.; Eisenberg, Richard","Light-driven hydrogen production from aqueous protons using molybdenum catalysts.","Inorganic chemistry","2014","53","18","9860","9869","10.1021/ic501440a","","","0.71073","MoKα","","0.0468","0.033","","","0.0759","0.0831","","","","","","1.041","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340963","9.0042","0.0008","11.2929","0.001","19.6282","0.0018","73.481","0.002","78.577","0.002","80.976","0.002","1864.8","0.3","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","eiswe25","","","- C39 H34 Cl2 Mo P2 S4 -","- C39 H34 Cl2 Mo P2 S4 -","- C78 H68 Cl4 Mo2 P4 S8 -","2","1","","Eckenhoff, William T.; Brennessel, William W.; Eisenberg, Richard","Light-driven hydrogen production from aqueous protons using molybdenum catalysts.","Inorganic chemistry","2014","53","18","9860","9869","10.1021/ic501440a","","","0.71073","MoKα","","0.1066","0.0514","","","0.0954","0.1159","","","","","","1.033","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340964","5.4248","0.0002","7.9403","0.0002","5.2865","0.0001","87.82","0.001","86.944","0.001","89.313","0.001","227.214","0.011","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Mn O3 Tl -","- Mn O3 Tl0.978 -","- Mn4 O12 Tl3.912 -","4","2","","Yi, Wei; Kumagai, Yu; Spaldin, Nicola A.; Matsushita, Yoshitaka; Sato, Akira; Presniakov, Igor A.; Sobolev, Alexey V.; Glazkova, Yana S.; Belik, Alexei A.","Perovskite-structure TlMnO₃: a new manganite with new properties.","Inorganic chemistry","2014","53","18","9800","9808","10.1021/ic501380m","","","0.71073","MoKα","","0.0394","0.0359","","","0.0895","0.0922","","","","","","1.034","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340965","5.0843","0.001","5.8737","0.0012","2.9041","0.0006","90","","90","","90","","86.73","0.03","120","2","120","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Os P2 -","- Os P2 -","- Os2 P4 -","2","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Shoemaker, Daniel P.; Do, Dat T.; Chung, Duck Young; Mahanti, Subhendra D.; Kanatzidis, Mercouri G.","Crystal growth and characterization of the narrow-band-gap semiconductors OsPn₂ (Pn = P, As, Sb).","Inorganic chemistry","2014","53","18","9959","9968","10.1021/ic501733z","","","0.71073","MoKα","","0.0193","0.0187","","","0.0424","0.0427","","","","","","1.528","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340966","5.4059","0.0011","6.1746","0.0012","2.9941","0.0006","90","","90","","90","","99.94","0.03","298","2","298","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- As2 Os -","- As2 Os -","- As4 Os2 -","2","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Shoemaker, Daniel P.; Do, Dat T.; Chung, Duck Young; Mahanti, Subhendra D.; Kanatzidis, Mercouri G.","Crystal growth and characterization of the narrow-band-gap semiconductors OsPn₂ (Pn = P, As, Sb).","Inorganic chemistry","2014","53","18","9959","9968","10.1021/ic501733z","","","0.71073","MoKα","","0.0288","0.0285","","","0.0671","0.0673","","","","","","1.272","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340967","5.9381","0.0012","6.6961","0.0013","3.2044","0.0006","90","","90","","90","","127.41","0.04","298","2","298","2","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Os Sb2 -","- Os Sb2 -","- Os2 Sb4 -","2","0.25","","Bugaris, Daniel E.; Malliakas, Christos D.; Shoemaker, Daniel P.; Do, Dat T.; Chung, Duck Young; Mahanti, Subhendra D.; Kanatzidis, Mercouri G.","Crystal growth and characterization of the narrow-band-gap semiconductors OsPn₂ (Pn = P, As, Sb).","Inorganic chemistry","2014","53","18","9959","9968","10.1021/ic501733z","","","0.71073","MoKα","","0.0371","0.0371","","","0.0895","0.0895","","","","","","1.19","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340968","9.684","0.009","17.926","0.017","27.04","0.03","90","","90","","90","","4694","8","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","IrSO2SO2","","","- C54.75 H40 Ir N2 O6 P S2 -","- C54.656 H40 Ir N2 O5.896 P S2 -","- C218.624 H160 Ir4 N8 O23.584 P4 S8 -","4","1","","Nguyen, Van Ha; Chew, Hui Qi; Su, Bochao; Yip, John H. K.","Synthesis and spectroscopy of anionic cyclometalated iridium(III)-dithiolate and -sulfinates‒effect of sulfur dioxygenation on electronic structure and luminescence.","Inorganic chemistry","2014","53","18","9739","9750","10.1021/ic501278n","","","0.71073","MoKα","","0.0467","0.0423","","","0.1034","0.1145","","","","","","1.123","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340969","8.007","0.0011","8.007","0.0011","4.888","0.001","90","","90","","120","","271.39","0.08","293","2","293","2","","","","","","","","4","P 3 2 1","P 3 2""","150","Strontium Borogermanate","","","- B1.68 Ge4.32 O14 Sr2.84 -","- B1.68 Ge4.32 O14 Sr2.85 -","- B1.68 Ge4.32 O14 Sr2.85 -","1","0.166667","","Petermüller, Benedikt; Petschnig, Lucas L.; Wurst, Klaus; Heymann, Gunter; Huppertz, Hubert","Synthesis and characterization of the new strontium borogermanate Sr(3-x/2)B(2-x)Ge(4+x)O₁₄ (x = 0.32).","Inorganic chemistry","2014","53","18","9722","9728","10.1021/ic5012296","","","0.71073","MoKα","","0.0281","0.027","","","0.0666","0.0671","","","","","","1.099","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340970","18.49","0.004","12.979","0.003","27.037","0.008","90","","130.742","0.019","90","","4916","3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H46 Cl20 Co2 Dy2 N4 O20 -","- C90 H46 Cl20 Co2 Dy2 N4 O20 -","- C180 H92 Cl40 Co4 Dy4 N8 O40 -","2","0.5","","Zhao, Fang-Hua; Li, Hui; Che, Yun-Xia; Zheng, Ji-Min; Vieru, Veacheslav; Chibotaru, Liviu F.; Grandjean, Fernande; Long, Gary J.","Synthesis, structure, and magnetic properties of Dy~2~Co~2~L~10~(bipy)~2~ and Ln~2~Ni~2~L~10~(bipy)~2~, Ln = La, Gd, Tb, Dy, and Ho: slow magnetic relaxation in Dy~2~Co~2~L~10~(bipy)~2~ and Dy~2~Ni~2~L~10~(bipy)~2~","Inorganic Chemistry","2014","53","18","9785","9799","10.1021/ic501374q","","","0.71073","MoKα","","0.0391","0.0295","","","0.0575","0.0621","","","","","","1.032","","","","has coordinates","218742","2020-10-21","18:00:00",""
"4340971","18.626","0.004","13.001","0.003","27.197","0.008","90","","131.057","0.019","90","","4966","3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H46 Cl20 La2 N4 Ni2 O20 -","- C90 H46 Cl20 La2 N4 Ni2 O20 -","- C180 H92 Cl40 La4 N8 Ni4 O40 -","2","0.5","","Zhao, Fang-Hua; Li, Hui; Che, Yun-Xia; Zheng, Ji-Min; Vieru, Veacheslav; Chibotaru, Liviu F.; Grandjean, Fernande; Long, Gary J.","Synthesis, structure, and magnetic properties of Dy~2~Co~2~L~10~(bipy)~2~ and Ln~2~Ni~2~L~10~(bipy)~2~, Ln = La, Gd, Tb, Dy, and Ho: slow magnetic relaxation in Dy~2~Co~2~L~10~(bipy)~2~ and Dy~2~Ni~2~L~10~(bipy)~2~","Inorganic Chemistry","2014","53","18","9785","9799","10.1021/ic501374q","","","0.71073","MoKα","","0.123","0.0695","","","0.1406","0.1637","","","","","","1.001","","","","has coordinates","218742","2020-10-21","18:00:00",""
"4340972","18.443","0.004","13.014","0.003","27.048","0.008","90","","130.853","0.019","90","","4910","3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H46 Cl20 Gd2 N4 Ni2 O20 -","- C90 H46 Cl20 Gd2 N4 Ni2 O20 -","- C180 H92 Cl40 Gd4 N8 Ni4 O40 -","2","0.5","","Zhao, Fang-Hua; Li, Hui; Che, Yun-Xia; Zheng, Ji-Min; Vieru, Veacheslav; Chibotaru, Liviu F.; Grandjean, Fernande; Long, Gary J.","Synthesis, structure, and magnetic properties of Dy~2~Co~2~L~10~(bipy)~2~ and Ln~2~Ni~2~L~10~(bipy)~2~, Ln = La, Gd, Tb, Dy, and Ho: slow magnetic relaxation in Dy~2~Co~2~L~10~(bipy)~2~ and Dy~2~Ni~2~L~10~(bipy)~2~","Inorganic Chemistry","2014","53","18","9785","9799","10.1021/ic501374q","","","0.71073","MoKα","","0.0483","0.0356","","","0.0724","0.0822","","","","","","1.049","","","","has coordinates","218742","2020-10-21","18:00:00",""
"4340973","18.432","0.004","13.017","0.003","27.049","0.008","90","","130.831","0.019","90","","4910","3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H46 Cl20 N4 Ni2 O20 Tb2 -","- C90 H46 Cl20 N4 Ni2 O20 Tb2 -","- C180 H92 Cl40 N8 Ni4 O40 Tb4 -","2","0.5","","Zhao, Fang-Hua; Li, Hui; Che, Yun-Xia; Zheng, Ji-Min; Vieru, Veacheslav; Chibotaru, Liviu F.; Grandjean, Fernande; Long, Gary J.","Synthesis, structure, and magnetic properties of Dy~2~Co~2~L~10~(bipy)~2~ and Ln~2~Ni~2~L~10~(bipy)~2~, Ln = La, Gd, Tb, Dy, and Ho: slow magnetic relaxation in Dy~2~Co~2~L~10~(bipy)~2~ and Dy~2~Ni~2~L~10~(bipy)~2~","Inorganic Chemistry","2014","53","18","9785","9799","10.1021/ic501374q","","","0.71073","MoKα","","0.0944","0.0465","","","0.0712","0.0819","","","","","","1.007","","","","has coordinates","218742","2020-10-21","18:00:00",""
"4340974","18.429","0.004","13.013","0.003","27.08","0.008","90","","130.946","0.019","90","","4905","3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H46 Cl20 Dy2 N4 Ni2 O20 -","- C90 H46 Cl20 Dy2 N4 Ni2 O20 -","- C180 H92 Cl40 Dy4 N8 Ni4 O40 -","2","0.5","","Zhao, Fang-Hua; Li, Hui; Che, Yun-Xia; Zheng, Ji-Min; Vieru, Veacheslav; Chibotaru, Liviu F.; Grandjean, Fernande; Long, Gary J.","Synthesis, structure, and magnetic properties of Dy~2~Co~2~L~10~(bipy)~2~ and Ln~2~Ni~2~L~10~(bipy)~2~, Ln = La, Gd, Tb, Dy, and Ho: slow magnetic relaxation in Dy~2~Co~2~L~10~(bipy)~2~ and Dy~2~Ni~2~L~10~(bipy)~2~","Inorganic Chemistry","2014","53","18","9785","9799","10.1021/ic501374q","","","0.71073","MoKα","","0.0821","0.0447","","","0.072","0.0889","","","","","","1.031","","","","has coordinates","218742","2020-10-21","18:00:00",""
"4340975","18.404","0.004","13.004","0.003","27.06","0.008","90","","130.986","0.019","90","","4889","3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H46 Cl20 Ho2 N4 Ni2 O20 -","- C90 H46 Cl20 Ho2 N4 Ni2 O20 -","- C180 H92 Cl40 Ho4 N8 Ni4 O40 -","2","0.5","","Zhao, Fang-Hua; Li, Hui; Che, Yun-Xia; Zheng, Ji-Min; Vieru, Veacheslav; Chibotaru, Liviu F.; Grandjean, Fernande; Long, Gary J.","Synthesis, structure, and magnetic properties of Dy~2~Co~2~L~10~(bipy)~2~ and Ln~2~Ni~2~L~10~(bipy)~2~, Ln = La, Gd, Tb, Dy, and Ho: slow magnetic relaxation in Dy~2~Co~2~L~10~(bipy)~2~ and Dy~2~Ni~2~L~10~(bipy)~2~","Inorganic Chemistry","2014","53","18","9785","9799","10.1021/ic501374q","","","0.71073","MoKα","","0.0369","0.0293","","","0.0717","0.0744","","","","","","1.079","","","","has coordinates","218742","2020-10-21","18:00:00",""
"4340976","8.9279","0.0005","19.0519","0.001","20.6374","0.001","115.085","0.0012","97.9463","0.0013","95.3845","0.0015","3102.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H54 N3 P Si6 -","- C18 H54 N3 P Si6 -","- C72 H216 N12 P4 Si24 -","4","2","","Boyde, Nicholas C.; Chmely, Stephen C.; Hanusa, Timothy P.; Rheingold, Arnold L.; Brennessel, William W.","Structural distortions in M[E(SiMe₃)₂]₃ complexes (M = group 15, f-element; E = N, CH): is three a crowd?","Inorganic chemistry","2014","53","18","9703","9714","10.1021/ic501232z","","","0.71073","MoKα","","0.054","0.0422","","","0.0967","0.1034","","","","","","1.009","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340977","8.4874","0.0004","20.6151","0.0009","18.2372","0.0008","90","","93.276","0.001","90","","3185.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 As N3 Si6 -","- C18 H54 As N3 Si6 -","- C72 H216 As4 N12 Si24 -","4","1","","Boyde, Nicholas C.; Chmely, Stephen C.; Hanusa, Timothy P.; Rheingold, Arnold L.; Brennessel, William W.","Structural distortions in M[E(SiMe₃)₂]₃ complexes (M = group 15, f-element; E = N, CH): is three a crowd?","Inorganic chemistry","2014","53","18","9703","9714","10.1021/ic501232z","","","0.71073","MoKα","","0.0591","0.0478","","","0.1278","0.1368","","","","","","1.022","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340978","16.0906","0.001","16.0906","0.001","8.4214","0.0005","90","","90","","120","","1888.2","0.2","100","0.5","100","0.5","","","","","","","","5","P -3","-P 3","147","hannb01","","","- C21 H63.5 N3.5 Sb Si7 -","- C21.0006 H63.5019 N3.5001 Sb Si7.0002 -","- C42.0012 H127.004 N7.0002 Sb2 Si14.0004 -","2","0.333333","","Boyde, Nicholas C.; Chmely, Stephen C.; Hanusa, Timothy P.; Rheingold, Arnold L.; Brennessel, William W.","Structural distortions in M[E(SiMe₃)₂]₃ complexes (M = group 15, f-element; E = N, CH): is three a crowd?","Inorganic chemistry","2014","53","18","9703","9714","10.1021/ic501232z","","","0.71073","MoKα","","0.0715","0.0596","","","0.1522","0.1635","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340979","16.5422","0.0011","11.554","0.0008","25.5297","0.0018","90","","94.701","0.001","90","","4863","0.6","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Cl4 N4 O U -","- C40 H56 Cl4 N4 O U -","- C160 H224 Cl16 N16 O4 U4 -","4","1","","Jilek, Robert E.; Tomson, Neil C.; Shook, Ryan L.; Scott, Brian L.; Boncella, James M.","Preparation and reactivity of the versatile uranium(IV) imido complexes U(NAr)Cl₂(R₂bpy)₂ (R = Me, (t)Bu) and U(NAr)Cl₂(tppo)₃.","Inorganic chemistry","2014","53","18","9818","9826","10.1021/ic5014208","","","0.71073","MoKα","","0.0472","0.0319","","","0.0696","0.0735","","","","","","1.016","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340980","10.8616","0.0005","11.6484","0.0006","15.7897","0.0008","99.832","0.001","91.493","0.001","91.875","0.001","1966.31","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","apx1292","","","- C38 H57 Cl2 N3 O2 U -","- C38 H57 Cl2 N3 O2 U -","- C76 H114 Cl4 N6 O4 U2 -","2","1","","Jilek, Robert E.; Tomson, Neil C.; Shook, Ryan L.; Scott, Brian L.; Boncella, James M.","Preparation and reactivity of the versatile uranium(IV) imido complexes U(NAr)Cl₂(R₂bpy)₂ (R = Me, (t)Bu) and U(NAr)Cl₂(tppo)₃.","Inorganic chemistry","2014","53","18","9818","9826","10.1021/ic5014208","","","0.71073","MoKα","","0.019","0.0172","","","0.0432","0.0438","","","","","","1.021","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340981","13.297","0.002","13.955","0.002","19.417","0.003","69.718","0.002","83.685","0.002","80.296","0.002","3326.1","0.9","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H62 Cl2 N O3 P3 U -","- C66 H62 Cl2 N O3 P3 U -","- C132 H124 Cl4 N2 O6 P6 U2 -","2","1","","Jilek, Robert E.; Tomson, Neil C.; Shook, Ryan L.; Scott, Brian L.; Boncella, James M.","Preparation and reactivity of the versatile uranium(IV) imido complexes U(NAr)Cl₂(R₂bpy)₂ (R = Me, (t)Bu) and U(NAr)Cl₂(tppo)₃.","Inorganic chemistry","2014","53","18","9818","9826","10.1021/ic5014208","","","0.71073","MoKα","","0.0719","0.0476","","","0.0988","0.1064","","","","","","0.971","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340982","13.5107","0.001","13.6974","0.001","18.1989","0.0013","102.956","0.001","90.359","0.001","95.898","0.001","3263.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","apx1251","","","- C72 H74 Cl2 N O3 P3 U -","- C72 H74 Cl2 N O3 P3 U -","- C144 H148 Cl4 N2 O6 P6 U2 -","2","1","","Jilek, Robert E.; Tomson, Neil C.; Shook, Ryan L.; Scott, Brian L.; Boncella, James M.","Preparation and reactivity of the versatile uranium(IV) imido complexes U(NAr)Cl₂(R₂bpy)₂ (R = Me, (t)Bu) and U(NAr)Cl₂(tppo)₃.","Inorganic chemistry","2014","53","18","9818","9826","10.1021/ic5014208","","","0.71073","MoKα","","0.0466","0.0368","","","0.0824","0.0869","","","","","","1.022","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340983","14.4368","0.0014","14.7814","0.0014","21.803","0.002","90","","102.499","0.001","90","","4542.4","0.7","140","1","140","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H35 Cl2 N O2 P2 U -","- C42 H35 Cl2 N O2 P2 U -","- C168 H140 Cl8 N4 O8 P8 U4 -","4","1","","Jilek, Robert E.; Tomson, Neil C.; Shook, Ryan L.; Scott, Brian L.; Boncella, James M.","Preparation and reactivity of the versatile uranium(IV) imido complexes U(NAr)Cl₂(R₂bpy)₂ (R = Me, (t)Bu) and U(NAr)Cl₂(tppo)₃.","Inorganic chemistry","2014","53","18","9818","9826","10.1021/ic5014208","","","0.71073","MoKα","","0.0731","0.0456","","","0.1056","0.114","","","","","","0.972","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4340984","13.633","0.004","14.664","0.004","26.722","0.007","104.44","0.003","90.909","0.003","112.38","0.003","4747","2","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C94 H90 Cl12 N2 O4 P4 U2 -","- C90 H82 Cl4 N2 O4 P4 U2 -","- C180 H164 Cl8 N4 O8 P8 U4 -","2","1","","Jilek, Robert E.; Tomson, Neil C.; Shook, Ryan L.; Scott, Brian L.; Boncella, James M.","Preparation and reactivity of the versatile uranium(IV) imido complexes U(NAr)Cl₂(R₂bpy)₂ (R = Me, (t)Bu) and U(NAr)Cl₂(tppo)₃.","Inorganic chemistry","2014","53","18","9818","9826","10.1021/ic5014208","","","0.71073","MoKα","","0.1106","0.0768","","","0.1872","0.2003","","","","","","1.116","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340985","14.639","0.002","16.519","0.002","26.096","0.004","90","","92.194","0.002","90","","6306","1.5","120","1","120","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C72 H67 Cl N O3 P3 S U -","- C72 H67 Cl N O3 P3 S U -","- C288 H268 Cl4 N4 O12 P12 S4 U4 -","4","1","","Jilek, Robert E.; Tomson, Neil C.; Shook, Ryan L.; Scott, Brian L.; Boncella, James M.","Preparation and reactivity of the versatile uranium(IV) imido complexes U(NAr)Cl₂(R₂bpy)₂ (R = Me, (t)Bu) and U(NAr)Cl₂(tppo)₃.","Inorganic chemistry","2014","53","18","9818","9826","10.1021/ic5014208","","","0.71073","MoKα","","0.1472","0.0631","","","0.1285","0.1625","","","","","","0.99","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340986","36.31","0.006","18.368","0.003","26.281","0.004","90","","93.86","0.002","90","","17488","5","140","1","140","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H72 Cl2 O4 P2 U -","- C64 H72 Cl2 O4 P2 U -","- C768 H864 Cl24 O48 P24 U12 -","12","3","","Jilek, Robert E.; Tomson, Neil C.; Shook, Ryan L.; Scott, Brian L.; Boncella, James M.","Preparation and reactivity of the versatile uranium(IV) imido complexes U(NAr)Cl₂(R₂bpy)₂ (R = Me, (t)Bu) and U(NAr)Cl₂(tppo)₃.","Inorganic chemistry","2014","53","18","9818","9826","10.1021/ic5014208","","","0.71073","MoKα","","0.0459","0.0285","","","0.0521","0.056","","","","","","1.07","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340987","12.0604","0.001","18.0515","0.0015","20.1412","0.0016","90","","94.73","0.001","90","","4370","0.6","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 I2 N4 U -","- C42 H58 I2 N4 U -","- C168 H232 I8 N16 U4 -","4","1","","Jilek, Robert E.; Tomson, Neil C.; Shook, Ryan L.; Scott, Brian L.; Boncella, James M.","Preparation and reactivity of the versatile uranium(IV) imido complexes U(NAr)Cl₂(R₂bpy)₂ (R = Me, (t)Bu) and U(NAr)Cl₂(tppo)₃.","Inorganic chemistry","2014","53","18","9818","9826","10.1021/ic5014208","","","0.71073","MoKα","","0.0457","0.0333","","","0.0782","0.0835","","","","","","1.105","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340988","21.198","0.003","11.8175","0.0016","17.977","0.004","90","","124.725","0.001","90","","3701.3","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","apx1390","","","- C36 H46 I2 N4 U -","- C36 H46 I2 N4 U -","- C144 H184 I8 N16 U4 -","4","0.5","","Jilek, Robert E.; Tomson, Neil C.; Shook, Ryan L.; Scott, Brian L.; Boncella, James M.","Preparation and reactivity of the versatile uranium(IV) imido complexes U(NAr)Cl₂(R₂bpy)₂ (R = Me, (t)Bu) and U(NAr)Cl₂(tppo)₃.","Inorganic chemistry","2014","53","18","9818","9826","10.1021/ic5014208","","","0.71073","MoKα","","0.0342","0.0265","","","0.0626","0.0652","","","","","","1.193","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340989","14.985","0.0016","19.391","0.002","17.261","0.0019","90","","92.402","0.001","90","","5011.2","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","apx1319","","","- C55 H55 Cl2 N O3 P2 U -","- C55 H55 Cl2 N O3 P2 U -","- C220 H220 Cl8 N4 O12 P8 U4 -","4","1","","Jilek, Robert E.; Tomson, Neil C.; Shook, Ryan L.; Scott, Brian L.; Boncella, James M.","Preparation and reactivity of the versatile uranium(IV) imido complexes U(NAr)Cl₂(R₂bpy)₂ (R = Me, (t)Bu) and U(NAr)Cl₂(tppo)₃.","Inorganic chemistry","2014","53","18","9818","9826","10.1021/ic5014208","","","0.71073","MoKα","","0.0421","0.0264","","","0.0533","0.0577","","","","","","1.095","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340990","9.6126","0.0002","6.6382","0.0002","26.559","0.0006","90","","90","","90","","1694.74","0.07","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dipyrido[3,2-a:2'3'-c]phenazine chloroform solvate","","- C19 H11 Cl3 N4 -","- C19 H11 Cl3 N4 -","- C76 H44 Cl12 N16 -","4","0.5","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","1.54184","CuKα","","0.0487","0.0472","","","0.134","0.1365","","","","","","1.073","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340991","9.2401","0.0006","11.2022","0.0008","16.0929","0.001","75.937","0.006","82.685","0.005","87.501","0.005","1602.55","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2'3'-c]benzo[i]phenazine]- iron(II)","","- C34 H28 B2 Fe N12 -","- C34 H28 B2 Fe N12 -","- C68 H56 B4 Fe2 N24 -","2","1","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","1.54184","CuKα","","0.0666","0.0462","","","0.0992","0.1088","","","","","","1.022","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340992","12.3397","0.0006","12.9186","0.0005","15.3077","0.0007","70.73","0.004","72.279","0.004","85.753","0.003","2193.26","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2'3'-c]benzo[i]phenazine]- iron(II) sesqui-toluene hemi-n-hexane solvate","","- C47.5 H47 B2 Fe N12 -","- C47.5 H46.5 B2 Fe N12 -","- C95 H93 B4 Fe2 N24 -","2","1","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.0817","0.0615","","","0.144","0.1584","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340993","12.3592","0.0007","12.9306","0.0006","15.3343","0.0008","70.716","0.004","72.227","0.005","85.814","0.004","2201.7","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2'3'-c]benzo[i]phenazine]- iron(II) sesqui-toluene hemi-n-hexane solvate","","- C47.5 H47 B2 Fe N12 -","- C47.5 H46.5 B2 Fe N12 -","- C95 H93 B4 Fe2 N24 -","2","1","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.0847","0.0622","","","0.1459","0.1616","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340994","12.3815","0.0007","12.9241","0.0006","15.3637","0.0009","70.889","0.005","72.32","0.005","86.064","0.004","2212","0.2","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2'3'-c]benzo[i]phenazine]- iron(II) sesqui-toluene hemi-n-hexane solvate","","- C47.5 H47 B2 Fe N12 -","- C47.5 H46.5 B2 Fe N12 -","- C95 H93 B4 Fe2 N24 -","2","1","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.0966","0.0675","","","0.1575","0.1782","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340995","12.3848","0.0007","12.7123","0.0007","15.3915","0.0009","72.28","0.005","73.533","0.005","87.894","0.004","2210.3","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2'3'-c]benzo[i]phenazine]- iron(II) sesqui-toluene hemi-n-hexane solvate","","- C47.5 H47 B2 Fe N12 -","- C46 H43 B2 Fe N12 -","- C92 H86 B4 Fe2 N24 -","2","1","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.1545","0.0996","","","0.2418","0.2788","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340996","12.4162","0.0005","12.6629","0.0004","15.4177","0.0007","72.835","0.003","73.802","0.004","88.575","0.003","2219.77","0.16","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2'3'-c]benzo[i]phenazine]- iron(II) sesqui-toluene hemi-n-hexane solvate","","- C47.5 H47 B2 Fe N12 -","- C45.1 H41.65 B2 Fe N12 -","- C90.2 H83.3 B4 Fe2 N24 -","2","1","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.1488","0.1027","","","0.2735","0.3106","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340997","26.1535","0.0013","13.831","0.0006","14.93","0.0007","90","","119.592","0.003","90","","4696.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[di(pyrazol-1-yl)dihydridoborate][1,4,8,9-tetraaza-triphenylene]- iron(II) di-[1,4,8,9-tetraaza-triphenylene] solvate","","- C54 H40 B2 Fe N20 -","- C54 H40 B2 Fe N20 -","- C216 H160 B8 Fe4 N80 -","4","0.5","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.0898","0.0623","","","0.137","0.1577","","","","","","1.049","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340998","26.1572","0.0013","13.8331","0.0006","14.9298","0.0007","90","","119.524","0.003","90","","4700.7","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[di(pyrazol-1-yl)dihydridoborate][1,4,8,9-tetraaza-triphenylene]- iron(II) di-[1,4,8,9-tetraaza-triphenylene] solvate","","- C54 H40 B2 Fe N20 -","- C54 H40 B2 Fe N20 -","- C216 H160 B8 Fe4 N80 -","4","0.5","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.0952","0.0638","","","0.1386","0.159","","","","","","1.056","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340999","26.1963","0.0016","13.8773","0.0006","14.9472","0.0008","90","","119.38","0.004","90","","4734.9","0.5","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[di(pyrazol-1-yl)dihydridoborate][1,4,8,9-tetraaza-triphenylene]- iron(II) di-[1,4,8,9-tetraaza-triphenylene] solvate","","- C54 H40 B2 Fe N20 -","- C54 H40 B2 Fe N20 -","- C216 H160 B8 Fe4 N80 -","4","0.5","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.0965","0.0636","","","0.1307","0.1523","","","","","","1.042","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4341000","26.2625","0.0016","13.9405","0.0007","14.9781","0.0008","90","","119.179","0.004","90","","4787.8","0.5","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[di(pyrazol-1-yl)dihydridoborate][1,4,8,9-tetraaza-triphenylene]- iron(II) di-[1,4,8,9-tetraaza-triphenylene] solvate","","- C54 H40 B2 Fe N20 -","- C54 H40 B2 Fe N20 -","- C216 H160 B8 Fe4 N80 -","4","0.5","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.0996","0.0637","","","0.1354","0.1571","","","","","","1.03","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341001","26.2962","0.0018","13.9778","0.0007","14.9991","0.0009","90","","119.063","0.005","90","","4818.9","0.6","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[di(pyrazol-1-yl)dihydridoborate][1,4,8,9-tetraaza-triphenylene]- iron(II) di-[1,4,8,9-tetraaza-triphenylene] solvate","","- C54 H40 B2 Fe N20 -","- C54 H40 B2 Fe N20 -","- C216 H160 B8 Fe4 N80 -","4","0.5","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.1033","0.0633","","","0.1331","0.1576","","","","","","1.044","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341002","26.3126","0.0019","13.9971","0.0008","15.0236","0.001","90","","118.981","0.005","90","","4840.3","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[di(pyrazol-1-yl)dihydridoborate][1,4,8,9-tetraaza-triphenylene]- iron(II) di-[1,4,8,9-tetraaza-triphenylene] solvate","","- C54 H40 B2 Fe N20 -","- C54 H40 B2 Fe N20 -","- C216 H160 B8 Fe4 N80 -","4","0.5","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.11","0.0654","","","0.1347","0.1617","","","","","","1.05","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341003","26.325","0.002","14.0128","0.0008","15.0338","0.0011","90","","118.923","0.006","90","","4854.1","0.6","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[di(pyrazol-1-yl)dihydridoborate][1,4,8,9-tetraaza-triphenylene]- iron(II) di-[1,4,8,9-tetraaza-triphenylene] solvate","","- C54 H40 B2 Fe N20 -","- C54 H40 B2 Fe N20 -","- C216 H160 B8 Fe4 N80 -","4","0.5","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.1182","0.0675","","","0.1357","0.167","","","","","","1.048","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341004","26.3433","0.0019","14.0332","0.0008","15.0438","0.0011","90","","118.858","0.005","90","","4870.8","0.6","240","2","240","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[di(pyrazol-1-yl)dihydridoborate][1,4,8,9-tetraaza-triphenylene]- iron(II) di-[1,4,8,9-tetraaza-triphenylene] solvate","","- C54 H40 B2 Fe N20 -","- C54 H40 B2 Fe N20 -","- C216 H160 B8 Fe4 N80 -","4","0.5","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.1213","0.066","","","0.1325","0.1636","","","","","","1.04","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341005","26.373","0.002","14.0601","0.0008","15.0664","0.0011","90","","118.775","0.006","90","","4896.9","0.7","260","2","260","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[di(pyrazol-1-yl)dihydridoborate][1,4,8,9-tetraaza-triphenylene]- iron(II) di-[1,4,8,9-tetraaza-triphenylene] solvate","","- C54 H40 B2 Fe N20 -","- C54 H40 B2 Fe N20 -","- C216 H160 B8 Fe4 N80 -","4","0.5","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.1309","0.0705","","","0.1392","0.1744","","","","","","1.037","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341006","26.373","0.003","14.0634","0.001","15.0757","0.0015","90","","118.746","0.007","90","","4902.4","0.9","280","2","280","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[di(pyrazol-1-yl)dihydridoborate][1,4,8,9-tetraaza-triphenylene]- iron(II) di-[1,4,8,9-tetraaza-triphenylene] solvate","","- C54 H40 B2 Fe N20 -","- C54 H40 B2 Fe N20 -","- C216 H160 B8 Fe4 N80 -","4","0.5","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.1546","0.0718","","","0.1371","0.1788","","","","","","1.02","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341007","26.381","0.003","14.0694","0.001","15.0785","0.0015","90","","118.693","0.008","90","","4909.4","0.9","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[di(pyrazol-1-yl)dihydridoborate][1,4,8,9-tetraaza-triphenylene]- iron(II) di-[1,4,8,9-tetraaza-triphenylene] solvate","","- C54 H40 B2 Fe N20 -","- C54 H40 B2 Fe N20 -","- C216 H160 B8 Fe4 N80 -","4","0.5","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.162","0.0736","","","0.1411","0.1857","","","","","","1.04","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341008","13.61","0.003","22.354","0.005","13.472","0.004","90","","111.87","0.03","90","","3803.7","1.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[di(pyrazol-1-yl)dihydridoborate][1,4,8,9-tetraaza-triphenylene]- iron(II) di-toluene solvate","","- C40 H40 B2 Fe N12 -","- C40 H39 B2 Fe N12 -","- C160 H156 B8 Fe4 N48 -","4","0.5","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.1503","0.1033","","","0.2466","0.2939","","","","","","1.061","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341009","10.6128","0.0005","16.4464","0.001","18.9257","0.0012","84.728","0.005","87.421","0.005","74.223","0.005","3164.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[di(pyrazol-1-yl)dihydridoborate][1,4,8,9-tetraaza-triphenylene]- iron(II) hemi-[1,4,8,9-tetraaza-triphenylene] solvate","","- C66 H56 B4 Fe2 N28 -","- C66 H56 B4 Fe2 N28 -","- C132 H112 B8 Fe4 N56 -","2","1","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.1529","0.0787","","","0.133","0.1715","","","","","","1.038","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341010","10.0737","0.0006","11.2795","0.0007","16.3872","0.0014","83.496","0.006","87.14","0.006","87.963","0.005","1846.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2'3'-c]phenazine]- iron(II) sesqui-toluene solvate","","- C40.5 H38 B2 Fe N12 -","- C40.5 H38 B2 Fe N12 -","- C81 H76 B4 Fe2 N24 -","2","1","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.0964","0.0631","","","0.1348","0.153","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341011","10.0816","0.0006","11.2905","0.0008","16.4335","0.0015","83.563","0.006","87.179","0.006","87.9","0.005","1855.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2'3'-c]phenazine]- iron(II) sesqui-toluene solvate","","- C40.5 H38 B2 Fe N12 -","- C40.5 H38 B2 Fe N12 -","- C81 H76 B4 Fe2 N24 -","2","1","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.1012","0.0638","","","0.1344","0.1531","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341012","10.0879","0.0007","11.292","0.0008","16.4894","0.0015","83.616","0.007","87.214","0.006","87.797","0.005","1863.5","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2'3'-c]phenazine]- iron(II) sesqui-toluene solvate","","- C40.5 H38 B2 Fe N12 -","- C40.5 H38 B2 Fe N12 -","- C81 H76 B4 Fe2 N24 -","2","1","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.1087","0.0668","","","0.1366","0.1588","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341013","10.0918","0.0007","11.2847","0.0007","16.5316","0.0014","83.655","0.006","87.215","0.006","87.705","0.005","1867.8","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2'3'-c]phenazine]- iron(II) sesqui-toluene solvate","","- C40.5 H38 B2 Fe N12 -","- C40.5 H38 B2 Fe N12 -","- C81 H76 B4 Fe2 N24 -","2","1","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.1135","0.0663","","","0.1423","0.1666","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341014","10.1254","0.0005","11.3119","0.0006","16.5724","0.0012","83.605","0.005","87.172","0.005","87.644","0.004","1882.84","0.19","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2'3'-c]phenazine]- iron(II) sesqui-toluene solvate","","- C40.5 H38 B2 Fe N12 -","- C40.5 H38 B2 Fe N12 -","- C81 H76 B4 Fe2 N24 -","2","1","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.122","0.0707","","","0.1494","0.178","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341015","10.2133","0.0005","11.3793","0.0006","16.6119","0.001","83.381","0.005","87.073","0.004","87.49","0.004","1913.87","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2'3'-c]phenazine]- iron(II) sesqui-toluene solvate","","- C40.5 H38 B2 Fe N12 -","- C40.5 H38 B2 Fe N12 -","- C81 H76 B4 Fe2 N24 -","2","1","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.1319","0.0711","","","0.1501","0.1842","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341016","10.2347","0.0007","11.3726","0.0008","16.6216","0.0016","83.295","0.007","87.006","0.007","87.247","0.006","1917.1","0.3","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2'3'-c]phenazine]- iron(II) sesqui-toluene solvate","","- C40.5 H38 B2 Fe N12 -","- C40.5 H38 B2 Fe N12 -","- C81 H76 B4 Fe2 N24 -","2","1","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.1546","0.0743","","","0.154","0.1956","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341017","10.2799","0.0012","11.4047","0.0013","16.788","0.003","83.542","0.012","87.171","0.012","87.026","0.009","1951.2","0.5","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2'3'-c]phenazine]- iron(II) sesqui-toluene solvate","","- C40.5 H38 B2 Fe N12 -","- C40.5 H38 B2 Fe N12 -","- C81 H76 B4 Fe2 N24 -","2","1","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","0.71073","MoKα","","0.1645","0.0736","","","0.1488","0.1934","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341018","33.5926","0.0007","33.5926","0.0007","14.4627","0.0004","90","","90","","90","","16320.6","0.7","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Bis[di(pyrazol-1-yl)dihydridoborate][dipyrido[3,2-a:2',3'-c]- (6,7,8,9-tetrahydro)phenazine] iron(II) di-isopropylether solvate","","- C36 H44 B2 Fe N12 O -","- C30 H30 B2 Fe N12 -","- C480 H480 B32 Fe16 N192 -","16","0.5","","Kulmaczewski, Rafal; Shepherd, Helena J.; Cespedes, Oscar; Halcrow, Malcolm A.","A homologous series of [Fe(H₂Bpz₂)₂(L)] spin-crossover complexes with annelated bipyridyl co-ligands.","Inorganic chemistry","2014","53","18","9809","9817","10.1021/ic501402q","","","1.54184","CuKα","","0.109","0.085","","","0.2574","0.2851","","","","","","1.076","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341019","8.9155","0.0002","8.4329","0.0002","17.1934","0.0004","90","","120.52","0.0012","90","","1113.56","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl7 O P U -","- Cl7 O P U -","- Cl28 O4 P4 U4 -","4","1","","Ward, Matthew D.; Chan, Ian Y.; Lebègue, Sébastien; Ibers, James A.","The synthesis and characterization of four new uranium(IV) chlorophosphates: UCl₄(POCl₃), [U₂Cl₉][PCl₄], UCl₃(PO₂Cl₂), and U₂Cl₈(POCl₃).","Inorganic chemistry","2014","53","18","9969","9975","10.1021/ic501781h","","","0.71073","MoKα","","0.0428","0.0297","","","0.0594","0.0637","","","","","","1.059","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341020","8.3695","0.0002","13.419","0.0003","16.9609","0.0004","90","","90","","90","","1904.88","0.08","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- Cl13 P U2 -","- Cl13 P U2 -","- Cl52 P4 U8 -","4","0.5","","Ward, Matthew D.; Chan, Ian Y.; Lebègue, Sébastien; Ibers, James A.","The synthesis and characterization of four new uranium(IV) chlorophosphates: UCl₄(POCl₃), [U₂Cl₉][PCl₄], UCl₃(PO₂Cl₂), and U₂Cl₈(POCl₃).","Inorganic chemistry","2014","53","18","9969","9975","10.1021/ic501781h","","","0.71073","MoKα","","0.0425","0.0268","","","0.0508","0.0542","","","","","","1.235","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341021","9.0298","0.0004","24.189","0.0012","8.5013","0.0003","90","","90","","90","","1856.87","0.14","100","2","100","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Cl5 O2 P U -","- Cl5 O2 P U -","- Cl40 O16 P8 U8 -","8","1","","Ward, Matthew D.; Chan, Ian Y.; Lebègue, Sébastien; Ibers, James A.","The synthesis and characterization of four new uranium(IV) chlorophosphates: UCl₄(POCl₃), [U₂Cl₉][PCl₄], UCl₃(PO₂Cl₂), and U₂Cl₈(POCl₃).","Inorganic chemistry","2014","53","18","9969","9975","10.1021/ic501781h","","","0.71073","MoKα","","0.08","0.0489","","","0.1034","0.1142","","","","","","1.111","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341022","8.4402","0.0002","8.3987","0.0002","23.0134","0.0006","90","","90","","90","","1631.34","0.07","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl11 O P U2 -","- Cl11 O P U2 -","- Cl44 O4 P4 U8 -","4","0.5","","Ward, Matthew D.; Chan, Ian Y.; Lebègue, Sébastien; Ibers, James A.","The synthesis and characterization of four new uranium(IV) chlorophosphates: UCl₄(POCl₃), [U₂Cl₉][PCl₄], UCl₃(PO₂Cl₂), and U₂Cl₈(POCl₃).","Inorganic chemistry","2014","53","18","9969","9975","10.1021/ic501781h","","","0.71073","MoKα","","0.0631","0.0416","","","0.0814","0.0846","","","","","","1.691","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341023","10.063","0.004","15.083","0.006","27.02","0.01","90","","110.915","0.015","90","","3831","3","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H32.75 F6 N4.25 O2 P2 Ru -","- C39.5 H32.75 F6 N4.25 O2 P2 Ru -","- C158 H131 F24 N17 O8 P8 Ru4 -","4","1","","Huang, Jing; Chen, Jinzhu; Gao, Hui; Chen, Limin","Kinetic aspects for the reduction of CO₂ and CS₂ with mixed-ligand ruthenium(II) hydride complexes containing phosphine and bipyridine.","Inorganic chemistry","2014","53","18","9570","9580","10.1021/ic500866d","","","0.71073","MoKα","","0.0633","0.0539","","","0.1154","0.1206","","","","","","1.137","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341024","14.617","0.003","14.713","0.003","16.966","0.003","77.737","0.009","86.071","0.008","76.882","0.006","3471.6","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 F6 N4 P2 Ru -","- C38 H32 F6 N4 P2 Ru -","- C152 H128 F24 N16 P8 Ru4 -","4","2","","Huang, Jing; Chen, Jinzhu; Gao, Hui; Chen, Limin","Kinetic aspects for the reduction of CO₂ and CS₂ with mixed-ligand ruthenium(II) hydride complexes containing phosphine and bipyridine.","Inorganic chemistry","2014","53","18","9570","9580","10.1021/ic500866d","","","0.71073","MoKα","","0.0539","0.0427","","","0.0987","0.1048","","","","","","0.98","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341025","14.234","0.002","14.649","0.002","14.371","0.002","90","","93.162","0.002","90","","2992","0.7","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 F6 N8 P2 Ru -","- C28 H32 F6 N8 P2 Ru -","- C112 H128 F24 N32 P8 Ru4 -","4","1","","Huang, Jing; Chen, Jinzhu; Gao, Hui; Chen, Limin","Kinetic aspects for the reduction of CO₂ and CS₂ with mixed-ligand ruthenium(II) hydride complexes containing phosphine and bipyridine.","Inorganic chemistry","2014","53","18","9570","9580","10.1021/ic500866d","","","0.71073","MoKα","","0.0288","0.0247","","","0.0669","0.0687","","","","","","0.972","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341026","40.1909","0.0007","40.1909","0.0007","25.0798","0.0005","90","","90","","120","","35084.1","1.1","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C28 H12 In1.11 N0 O8 -","- C28 H12 In1.11 O8 -","- C1008 H432 In39.96 O288 -","36","1","","Gong, Yun-Nan; Huang, Yong-Liang; Jiang, Long; Lu, Tong-Bu","A luminescent microporous metal-organic framework with highly selective CO₂ adsorption and sensing of nitro explosives.","Inorganic chemistry","2014","53","18","9457","9459","10.1021/ic501413r","","","1.54178","CuKα","","0.1175","0.0966","","","0.2786","0.2968","","","","","","1.066","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341032","5.9772","0.0003","12.3164","0.0006","14.0486","0.0009","90","","90","","90","","1034.22","0.1","140","","140","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[DBU-H]+[HCO2]-","","","- C10 H18 N2 O2 -","- C10 H18 N2 O2 -","- C40 H72 N8 O8 -","4","1","","Yadav, Mahendra; Linehan, John C.; Karkamkar, Abhijeet J.; van der Eide, Edwin; Heldebrant, David J.","Homogeneous hydrogenation of CO₂ to methyl formate utilizing switchable ionic liquids.","Inorganic chemistry","2014","53","18","9849","9854","10.1021/ic501378w","","","0.71073","MoKα","","0.0433","0.0365","","","0.084","0.0871","","","","","","1.013","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341033","22.678","0.011","22.678","0.011","27.587","0.013","90","","90","","120","","12287","10","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85 H60 Au4 Co6 O12 P4 -","- C85 H60 Au4 Co6 O12 P4 -","- C510 H360 Au24 Co36 O72 P24 -","6","0.333333","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Ienco, Andrea; Longoni, Giuliano; Manca, Gabriele; Zacchini, Stefano","Octahedral co-carbide carbonyl clusters decorated by [AuPPh₃]⁺ fragments: synthesis, structural isomerism, and aurophilic interactions of Co₆C(CO)₁₂(AuPPh₃)₄.","Inorganic chemistry","2014","53","18","9761","9770","10.1021/ic501346a","","","0.71073","MoKα","","0.0291","0.0247","","","0.0645","0.0666","","","","","","1.076","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341034","14.229","0.003","14.397","0.003","42.721","0.008","90","","90.652","0.002","90","","8751","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C89 H68 Au4 Co6 O13 P4 -","- C89 H68 Au4 Co6 O13 P4 -","- C356 H272 Au16 Co24 O52 P16 -","4","1","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Ienco, Andrea; Longoni, Giuliano; Manca, Gabriele; Zacchini, Stefano","Octahedral co-carbide carbonyl clusters decorated by [AuPPh₃]⁺ fragments: synthesis, structural isomerism, and aurophilic interactions of Co₆C(CO)₁₂(AuPPh₃)₄.","Inorganic chemistry","2014","53","18","9761","9770","10.1021/ic501346a","","","0.71073","MoKα","","0.2401","0.1253","","","0.2626","0.3134","","","","","","1.123","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341035","14.581","0.004","13.802","0.004","48.59","0.013","90","","97.902","0.003","90","","9686","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C101 H92 Au4 Co6 O16 P4 -","- C101 H92 Au4 Co6 O16 P4 -","- C404 H368 Au16 Co24 O64 P16 -","4","1","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Ienco, Andrea; Longoni, Giuliano; Manca, Gabriele; Zacchini, Stefano","Octahedral co-carbide carbonyl clusters decorated by [AuPPh₃]⁺ fragments: synthesis, structural isomerism, and aurophilic interactions of Co₆C(CO)₁₂(AuPPh₃)₄.","Inorganic chemistry","2014","53","18","9761","9770","10.1021/ic501346a","","","0.71073","MoKα","","0.1397","0.1246","","","0.268","0.275","","","","","","1.188","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341036","11.0288","0.0007","21.2558","0.0013","30.3199","0.0019","90","","99.919","0.001","90","","7001.5","0.8","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H53 Au2 Co6 O12 P3 -","- C74 H53 Au2 Co6 O12 P3 -","- C296 H212 Au8 Co24 O48 P12 -","4","1","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Ienco, Andrea; Longoni, Giuliano; Manca, Gabriele; Zacchini, Stefano","Octahedral co-carbide carbonyl clusters decorated by [AuPPh₃]⁺ fragments: synthesis, structural isomerism, and aurophilic interactions of Co₆C(CO)₁₂(AuPPh₃)₄.","Inorganic chemistry","2014","53","18","9761","9770","10.1021/ic501346a","","","0.71073","MoKα","","0.1463","0.0608","","","0.1004","0.1285","","","","","","0.994","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341037","11.009","0.004","13.736","0.005","23.556","0.008","90.154","0.004","93.606","0.004","110.442","0.004","3330","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70.5 H49 Au2 Co6 O12 P3 -","- C70.5 H49 Au2 Co6 O12 P3 -","- C141 H98 Au4 Co12 O24 P6 -","2","1","","Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Ienco, Andrea; Longoni, Giuliano; Manca, Gabriele; Zacchini, Stefano","Octahedral co-carbide carbonyl clusters decorated by [AuPPh₃]⁺ fragments: synthesis, structural isomerism, and aurophilic interactions of Co₆C(CO)₁₂(AuPPh₃)₄.","Inorganic chemistry","2014","53","18","9761","9770","10.1021/ic501346a","","","0.71073","MoKα","","0.1073","0.06","","","0.1284","0.1491","","","","","","0.993","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341038","10.73","0.005","10.73","0.005","22.813","0.005","90","","90","","90","","2626.5","1.8","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H44 Co N O2 P2 -","- C24 H44 Co N O2 P2 -","- C96 H176 Co4 N4 O8 P8 -","4","1","","Scheuermann, Margaret L.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Carbon dioxide hydrosilylation promoted by cobalt pincer complexes.","Inorganic chemistry","2014","53","18","9463","9465","10.1021/ic501901n","","","0.71073","MoKα","","0.0198","0.0194","","","0.0432","0.0434","","","","","","0.969","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341039","10.728","0.005","17.553","0.005","17.57","0.005","76.26","0.005","84.341","0.005","73.316","0.005","3077","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H52 Co N P2 Si -","- C29 H52 Co N P2 Si -","- C116 H208 Co4 N4 P8 Si4 -","4","2","","Scheuermann, Margaret L.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Carbon dioxide hydrosilylation promoted by cobalt pincer complexes.","Inorganic chemistry","2014","53","18","9463","9465","10.1021/ic501901n","","","1.54185","CuKα","","0.0334","0.0303","","","0.0737","0.0755","","","","","","1.048","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341040","44.907","0.012","31.328","0.009","25.536","0.007","90","","92.954","0.006","90","","35877","17","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H76 Na12 Nb28 O278 P8 W48 -","- Na12 Nb28 O278.25 P8 W48 -","- Na48 Nb112 O1113 P32 W192 -","4","0.5","","Zhang, Dongdi; Liang, Zhijie; Xie, Songqiang; Ma, Pengtao; Zhang, Chao; Wang, Jingping; Niu, Jingyang","A new Nb₂₈ cluster based on tungstophosphate, [{Nb₄O₆(OH)₄}{Nb₆P₂W₁₂O₆₁}₄]³⁶⁻.","Inorganic chemistry","2014","53","18","9917","9922","10.1021/ic501575x","","","0.71073","MoKα","","0.1905","0.0796","","","0.1784","0.2052","","","","","","1.013","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341041","9.2851","0.0011","9.2851","0.0011","38.042","0.008","90","","90","","120","","2840.3","0.8","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- B20 Be8 Ca6 F2 Li2 Na8 O48 -","- B20 Be8 Ca6 F2 Li2 Na8 O48 -","- B60 Be24 Ca18 F6 Li6 Na24 O144 -","3","0.166667","","Luo, Siyang; Yao, Wenjiao; Gong, Pifu; Yao, Jiyong; Lin, Zheshuai; Chen, Chuangtian","[In Process Citation].","Inorganic chemistry","2014","53","16","8197","8199","10.1021/ic501444t","","","0.71073","MoKα","","0.0511","0.0461","","","0.1471","0.1507","","","","","","1.23","","","","has coordinates","286259","2023-09-07","06:04:47",""
"4341042","10.8876","0.00001","10.8876","0.00001","10.8876","0.00001","90","","90","","90","","1290.61","0.002","673","","673","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.9 Gd0.1 O1.95 -","- Ce0.9 Gd0.1 O1.947 -","- Ce28.8 Gd3.2 O62.304 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","1.4617","1.3898","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341043","10.90065","0.00001","10.90065","0.00001","10.90065","0.00001","90","","90","","90","","1295.26","0.002","773","","773","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.9 Gd0.1 O1.95 -","- Ce0.9 Gd0.1 O2 -","- Ce28.8 Gd3.2 O64 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","1.4144","1.53","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341044","10.91406","0.00001","10.91406","0.00001","10.91406","0.00001","90","","90","","90","","1300.05","0.002","873","","873","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.9 Gd0.1 O1.95 -","- Ce0.9 Gd0.1 O1.9665 -","- Ce28.8 Gd3.2 O62.928 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","1.0595","1.269","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341045","10.92744","0.00001","10.92744","0.00001","10.92744","0.00001","90","","90","","90","","1304.83","0.002","973","","973","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.9 Gd0.1 O1.95 -","- Ce0.9 Gd0.1 O2.895 -","- Ce28.8 Gd3.2 O92.64 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","1.1087","1.237","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341046","10.94174","0.00001","10.94174","0.00001","10.94174","0.00001","90","","90","","90","","1309.96","0.002","1073","","1073","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.9 Gd0.1 O1.95 -","- Ce0.9 Gd0.1 O1.986 -","- Ce28.8 Gd3.2 O63.552 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","1.4959","1.253","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341047","10.90557","0.00001","10.90557","0.00001","10.90557","0.00001","90","","90","","90","","1297.02","0.002","673","","673","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.7 Gd0.3 O1.85 -","- Ce0.7 Gd0.3 O1.8825 -","- Ce22.4 Gd9.6 O60.24 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","1.6782","1.254","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341048","10.91884","0.00001","10.91884","0.00001","10.91884","0.00001","90","","90","","90","","1301.76","0.002","773","","773","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.7 Gd0.3 O1.85 -","- Ce0.7 Gd0.3 O1.8585 -","- Ce22.4 Gd9.6 O59.472 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","1.6247","1.186","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341049","10.93237","0.00002","10.93237","0.00002","10.93237","0.00002","90","","90","","90","","1306.6","0.004","873","","873","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.7 Gd0.3 O1.85 -","- Ce0.7 Gd0.3 O1.869 -","- Ce22.4 Gd9.6 O59.808 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","1.3269","1.167","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341050","10.9459","0.00002","10.9459","0.00002","10.9459","0.00002","90","","90","","90","","1311.46","0.004","973","","973","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.7 Gd0.3 O1.85 -","- Ce0.7 Gd0.3 O1.8705 -","- Ce22.4 Gd9.6 O59.856 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","1.3799","1.165","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341051","10.96125","0.00002","10.96125","0.00002","10.96125","0.00002","90","","90","","90","","1316.98","0.004","1073","","1073","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.7 Gd0.3 O1.85 -","- Ce0.7 Gd0.3 O1.8645 -","- Ce22.4 Gd9.6 O59.664 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","1.3335","1.174","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341052","10.90602","0.00002","10.90602","0.00002","10.90602","0.00002","90","","90","","90","","1297.18","0.004","673","","673","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.5 Gd0.5 O1.75 -","- Ce0.5 Gd0.5 O1.81 -","- Ce16 Gd16 O57.92 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","3.4092","1.556","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341053","10.91813","0.00002","10.91813","0.00002","10.91813","0.00002","90","","90","","90","","1301.5","0.004","773","","773","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.5 Gd0.5 O1.75 -","- Ce0.5 Gd0.5 O1.839 -","- Ce16 Gd16 O58.848 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","3.795","1.759","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341054","10.93027","0.00002","10.93027","0.00002","10.93027","0.00002","90","","90","","90","","1305.85","0.004","873","","873","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.5 Gd0.5 O1.75 -","- Ce0.5 Gd0.5 O1.7985 -","- Ce16 Gd16 O57.552 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","2.5505","1.389","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341055","10.94266","0.00002","10.94266","0.00002","10.94266","0.00002","90","","90","","90","","1310.29","0.004","973","","973","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.5 Gd0.5 O1.75 -","- Ce0.5 Gd0.5 O1.8045 -","- Ce16 Gd16 O57.744 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","2.2788","1.334","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341056","10.95611","0.00002","10.95611","0.00002","10.95611","0.00002","90","","90","","90","","1315.13","0.004","1073","","1073","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.5 Gd0.5 O1.75 -","- Ce0.5 Gd0.5 O1.8 -","- Ce16 Gd16 O57.6 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","1.9816","1.293","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341057","10.89237","0.00002","10.89237","0.00002","10.89237","0.00002","90","","90","","90","","1292.31","0.004","673","","673","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.3 Gd0.7 O1.65 -","- Ce0.3 Gd0.7 O1.7085 -","- Ce9.6 Gd22.4 O54.672 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","2.8927","1.353","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341058","10.90326","0.00002","10.90326","0.00002","10.90326","0.00002","90","","90","","90","","1296.19","0.004","773","","773","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.3 Gd0.7 O1.65 -","- Ce0.3 Gd0.7 O1.713 -","- Ce9.6 Gd22.4 O54.816 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","2.6279","1.33","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341059","10.91433","0.00002","10.91433","0.00002","10.91433","0.00002","90","","90","","90","","1300.14","0.004","873","","873","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.3 Gd0.7 O1.65 -","- Ce0.3 Gd0.7 O1.713 -","- Ce9.6 Gd22.4 O54.816 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","2.5859","1.274","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341060","10.9252","0.00003","10.9252","0.00003","10.9252","0.00003","90","","90","","90","","1304.03","0.006","973","","973","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.3 Gd0.7 O1.65 -","- Ce0.3 Gd0.7 O1.7055 -","- Ce9.6 Gd22.4 O54.576 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","2.5947","1.268","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341061","10.9369","0.00003","10.9369","0.00003","10.9369","0.00003","90","","90","","90","","1308.23","0.006","1073","","1073","","","","","","","","","3","I a -3","-I 2b 2c 3","206","Ce-Gd mixed oxide","","","- Ce0.3 Gd0.7 O1.65 -","- Ce0.3 Gd0.7 O1.6965 -","- Ce9.6 Gd22.4 O54.288 -","32","0.666667","","Artini, Cristina; Pani, Marcella; Lausi, Andrea; Masini, Roberto; Costa, Giorgio A.","High Temperature Structural Study of Gd-Doped Ceria by Synchrotron X-ray Diffraction (673 K ≤ T ≤ 1073 K).","Inorganic chemistry","2014","53","19","10140","10149","10.1021/ic5011242","powder diffraction","","0.689","synchrotron","","","","","","","","","2.2681","1.219","","","","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341062","16.2954","0.0005","8.7619","0.0003","20.755","0.0006","90","","95.316","0.003","90","","2950.63","0.16","126.6","0.3","126.6","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 N9 O15 Sm2 -","- C54 H51 N9 O15 Sm2 -","- C108 H102 N18 O30 Sm4 -","2","0.5","","Zhang, Shaowei; Shi, Wei; Li, Leilei; Duan, Eryue; Cheng, Peng","Lanthanide Coordination Polymers with ""fsy-type"" Topology Based on 4,4'-Azobenzoic Acid: Syntheses, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","19","10340","10346","10.1021/ic501395p","","","0.71073","MoKα","","0.0575","0.0479","","","0.1168","0.1247","","","","","","1.035","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341063","16.2499","0.0005","8.7451","0.0003","20.7317","0.0006","90","","95.213","0.003","90","","2933.93","0.16","127","1","127","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 Eu2 N9 O15 -","- C54 H51 Eu2 N9 O15 -","- C108 H102 Eu4 N18 O30 -","2","0.5","","Zhang, Shaowei; Shi, Wei; Li, Leilei; Duan, Eryue; Cheng, Peng","Lanthanide Coordination Polymers with ""fsy-type"" Topology Based on 4,4'-Azobenzoic Acid: Syntheses, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","19","10340","10346","10.1021/ic501395p","","","0.71073","MoKα","","0.063","0.0491","","","0.1148","0.1246","","","","","","1.058","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341064","16.2318","0.0005","8.7252","0.0003","20.7773","0.0006","90","","94.984","0.003","90","","2931.47","0.16","126.95","0.1","126.95","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 Gd2 N9 O15 -","- C54 H51 Gd2 N9 O15 -","- C108 H102 Gd4 N18 O30 -","2","0.5","","Zhang, Shaowei; Shi, Wei; Li, Leilei; Duan, Eryue; Cheng, Peng","Lanthanide Coordination Polymers with ""fsy-type"" Topology Based on 4,4'-Azobenzoic Acid: Syntheses, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","19","10340","10346","10.1021/ic501395p","","","0.71073","MoKα","","0.0477","0.0399","","","0.0887","0.0933","","","","","","1.051","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341065","16.2538","0.0005","8.7093","0.0003","20.8595","0.0006","90","","94.891","0.003","90","","2942.1","0.16","127.4","0.6","127.4","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 N9 O15 Tb2 -","- C54 H51 N9 O15 Tb2 -","- C108 H102 N18 O30 Tb4 -","2","0.5","","Zhang, Shaowei; Shi, Wei; Li, Leilei; Duan, Eryue; Cheng, Peng","Lanthanide Coordination Polymers with ""fsy-type"" Topology Based on 4,4'-Azobenzoic Acid: Syntheses, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","19","10340","10346","10.1021/ic501395p","","","0.71073","MoKα","","0.0579","0.0473","","","0.1143","0.1223","","","","","","1.038","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341066","16.2078","0.0005","8.7082","0.0003","20.8775","0.0006","90","","94.748","0.003","90","","2936.55","0.16","126.8","0.3","126.8","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H51.01 Dy2 N9 O15 -","- C54 H51 Dy2 N9 O15 -","- C108 H102 Dy4 N18 O30 -","2","0.5","","Zhang, Shaowei; Shi, Wei; Li, Leilei; Duan, Eryue; Cheng, Peng","Lanthanide Coordination Polymers with ""fsy-type"" Topology Based on 4,4'-Azobenzoic Acid: Syntheses, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","19","10340","10346","10.1021/ic501395p","","","0.71073","MoKα","","0.0713","0.0502","","","0.1069","0.1194","","","","","","1.037","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341067","16.1925","0.0005","8.6926","0.0003","20.8815","0.0006","90","","94.797","0.003","90","","2928.88","0.16","127.8","0.5","127.8","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 Ho2 N9 O15 -","- C54 H51 Ho2 N9 O15 -","- C108 H102 Ho4 N18 O30 -","2","0.5","","Zhang, Shaowei; Shi, Wei; Li, Leilei; Duan, Eryue; Cheng, Peng","Lanthanide Coordination Polymers with ""fsy-type"" Topology Based on 4,4'-Azobenzoic Acid: Syntheses, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","19","10340","10346","10.1021/ic501395p","","","0.71073","MoKα","","0.0538","0.0449","","","0.1047","0.1104","","","","","","1.054","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341068","16.1705","0.0005","8.6943","0.0003","20.8797","0.0006","90","","94.633","0.003","90","","2925.91","0.16","127.1","0.6","127.1","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 Er2 N9 O15 -","- C54 H51 Er2 N9 O15 -","- C108 H102 Er4 N18 O30 -","2","0.5","","Zhang, Shaowei; Shi, Wei; Li, Leilei; Duan, Eryue; Cheng, Peng","Lanthanide Coordination Polymers with ""fsy-type"" Topology Based on 4,4'-Azobenzoic Acid: Syntheses, Crystal Structures, and Magnetic Properties.","Inorganic chemistry","2014","53","19","10340","10346","10.1021/ic501395p","","","0.71073","MoKα","","0.0513","0.0448","","","0.101","0.1055","","","","","","1.08","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341069","19.591","0.003","13.366","0.003","15.526","0.002","90","","100.334","0.006","90","","3999.6","1.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 Cl3 N6 Nd O21 -","- C24 H48 Cl3 N6 Nd O20.97 -","- C96 H192 Cl12 N24 Nd4 O83.88 -","4","0.5","","Tian, Guoxin; Teat, Simon J.; Rao, Linfeng","Structural and thermodynamic study of the complexes of Nd(III) with N,N,N',N'-tetramethyl-3-oxa-glutaramide and the acid analogues.","Inorganic chemistry","2014","53","18","9477","9485","10.1021/ic5004484","","","0.7758","synchrotron","","0.0471","0.0442","","","0.1175","0.1195","","","","","","1.059","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341070","9.5311","0.0007","12.2762","0.0009","13.5139","0.0008","79.568","0.002","80.663","0.002","87.874","0.002","1534.42","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H45 N3 Nd O19.5 -","- C18 H42 N3 Nd O19.5 -","- C36 H84 N6 Nd2 O39 -","2","1","","Tian, Guoxin; Teat, Simon J.; Rao, Linfeng","Structural and thermodynamic study of the complexes of Nd(III) with N,N,N',N'-tetramethyl-3-oxa-glutaramide and the acid analogues.","Inorganic chemistry","2014","53","18","9477","9485","10.1021/ic5004484","","","0.7749","synchrotron","","0.0302","0.026","","","0.0652","0.0673","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341071","10.778","0.003","15.662","0.005","23.911","0.008","90","","99.735","0.005","90","","3978","2","175","2","175","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 N9 Nd O20 -","- C24 H48 N9 Nd O20 -","- C96 H192 N36 Nd4 O80 -","4","1","","Tian, Guoxin; Teat, Simon J.; Rao, Linfeng","Structural and thermodynamic study of the complexes of Nd(III) with N,N,N',N'-tetramethyl-3-oxa-glutaramide and the acid analogues.","Inorganic chemistry","2014","53","18","9477","9485","10.1021/ic5004484","","","0.7749","synchrotron","","0.044","0.0345","","","0.0923","0.1001","","","","","","1.03","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341072","12.644","0.003","13.368","0.003","13.432","0.003","106.16","0.03","93.01","0.03","110.49","0.03","2014.1","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 B Ga I P2 -","- C38 H34 B Ga I P2 -","- C76 H68 B2 Ga2 I2 P4 -","2","1","","Malbrecht, Brian J.; Dube, Jonathan W.; Willans, Mathew J.; Ragogna, Paul J.","Addressing the chemical sorcery of ""GaI"": benefits of solid-state analysis aiding in the synthesis of P→Ga coordination compounds.","Inorganic chemistry","2014","53","18","9644","9656","10.1021/ic501139w","","","0.71073","MoKα","","0.1124","0.0626","","","0.1401","0.153","","","","","","0.98","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341073","11.109","0.002","15.256","0.003","17.476","0.004","105.18","0.03","93.18","0.03","104.2","0.03","2748.4","1.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H74 B Ga2 I4 Li O4 P2 -","- C42 H74 B Ga2 I4 Li O4 P2 -","- C84 H148 B2 Ga4 I8 Li2 O8 P4 -","2","1","","Malbrecht, Brian J.; Dube, Jonathan W.; Willans, Mathew J.; Ragogna, Paul J.","Addressing the chemical sorcery of ""GaI"": benefits of solid-state analysis aiding in the synthesis of P→Ga coordination compounds.","Inorganic chemistry","2014","53","18","9644","9656","10.1021/ic501139w","","","0.71073","MoKα","","0.1107","0.0491","","","0.1091","0.1313","","","","","","1.044","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341074","10.4865","0.0009","29.148","0.002","22.9354","0.0018","90","","100.284","0.002","90","","6897.8","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H99 B2 Ga2 I2 P4 -","- C67 H99 B2 Ga2 I2 P4 -","- C268 H396 B8 Ga8 I8 P16 -","4","1","","Malbrecht, Brian J.; Dube, Jonathan W.; Willans, Mathew J.; Ragogna, Paul J.","Addressing the chemical sorcery of ""GaI"": benefits of solid-state analysis aiding in the synthesis of P→Ga coordination compounds.","Inorganic chemistry","2014","53","18","9644","9656","10.1021/ic501139w","","","0.71073","MoKα","","0.1175","0.039","","","0.0421","0.0505","","","","","","0.706","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341075","16.5015","0.0006","17.282","0.0006","22.4294","0.0009","90","","90","","90","","6396.4","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H34 B K P2 -","- C38 H34 B K P2 -","- C304 H272 B8 K8 P16 -","8","1","","Malbrecht, Brian J.; Dube, Jonathan W.; Willans, Mathew J.; Ragogna, Paul J.","Addressing the chemical sorcery of ""GaI"": benefits of solid-state analysis aiding in the synthesis of P→Ga coordination compounds.","Inorganic chemistry","2014","53","18","9644","9656","10.1021/ic501139w","","","0.71073","MoKα","","0.1005","0.0771","","","0.211","0.2273","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341076","14.1407","0.0002","14.1407","0.0002","14.1407","0.0002","90","","90","","90","","2827.57","0.07","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C6 H12 N2 Ni O4 -","- C6 H12 N2 Ni O4 -","- C72 H144 N24 Ni12 O48 -","12","0.5","","Yang, E.; Wang, Lin; Wang, Fei; Lin, Qipu; Kang, Yao; Zhang, Jian","Zeolitic metal-organic frameworks based on amino Acid.","Inorganic chemistry","2014","53","19","10027","10029","10.1021/ic501556w","","","0.71073","MoKα","","0.048","0.037","","","0.0803","0.0885","","","","","","1.045","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341077","14.1165","0.0002","14.1165","0.0002","14.1165","0.0002","90","","90","","90","","2813.07","0.07","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C6 H12 N2 Ni O4 -","- C6 H12 N2 Ni O4 -","- C72 H144 N24 Ni12 O48 -","12","0.5","","Yang, E.; Wang, Lin; Wang, Fei; Lin, Qipu; Kang, Yao; Zhang, Jian","Zeolitic metal-organic frameworks based on amino Acid.","Inorganic chemistry","2014","53","19","10027","10029","10.1021/ic501556w","","","0.71073","MoKα","","0.0449","0.0344","","","0.0692","0.0776","","","","","","1.075","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341078","15.3672","0.0004","11.6754","0.0002","20.7559","0.0006","90","","109.006","0.001","90","","3520.97","0.15","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Au Cl3 Mo2 O3 P -","- C32 H41 Au Cl3 Mo2 O3 P -","- C128 H164 Au4 Cl12 Mo8 O12 P4 -","4","1","","Alvarez, Belén; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; Ruiz, Miguel A.; Suárez, Jaime","Gold(I) and related heterometallic derivatives of dimolybdenum complexes with asymmetric phosphinidene bridges.","Inorganic chemistry","2014","53","19","10325","10339","10.1021/ic501376v","","x-ray","0.71073","MoKα","","0.0408","0.0358","","","0.1132","0.1156","","","","","","1.19","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341079","18.113","0.002","18.381","0.002","18.613","0.002","92.177","0.006","92.23","0.006","90.789","0.006","6187","1.2","100","0.1","100","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C40.33333 H46.66667 Au Mo3 O5 P -","- C40.3333 H46.6667 Au Mo3 O5 P -","- C242 H280 Au6 Mo18 O30 P6 -","6","3","","Alvarez, Belén; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; Ruiz, Miguel A.; Suárez, Jaime","Gold(I) and related heterometallic derivatives of dimolybdenum complexes with asymmetric phosphinidene bridges.","Inorganic chemistry","2014","53","19","10325","10339","10.1021/ic501376v","","x-ray","0.71073","MoKα","","0.1162","0.072","","","0.1785","0.1954","","","","","","0.92","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341080","10.8045","0.0007","13.6911","0.0008","26.0039","0.0017","90.079","0.003","95.095","0.002","106.489","0.003","3672.4","0.4","100","2","100","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C62 H82 Cl4 Hg2 I4 Mo4 O4 P2 -","- C62 H82 Cl4 Hg2 I4 Mo4 O4 P2 -","- C124 H164 Cl8 Hg4 I8 Mo8 O8 P4 -","2","1","","Alvarez, Belén; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; Ruiz, Miguel A.; Suárez, Jaime","Gold(I) and related heterometallic derivatives of dimolybdenum complexes with asymmetric phosphinidene bridges.","Inorganic chemistry","2014","53","19","10325","10339","10.1021/ic501376v","","x-ray","0.71073","MoKα","","0.0941","0.0653","","","0.166","0.213","","","","","","1.065","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341081","14.5626","0.0004","14.6607","0.0004","15.5464","0.0004","65.608","0.002","86.95","0.002","62.08","0.003","2630.18","0.16","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C52 H60 Au F6 Mo2 O3 P3 -","- C52 H60 Au F6 Mo2 O3 P3 -","- C104 H120 Au2 F12 Mo4 O6 P6 -","2","1","","Alvarez, Belén; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; Ruiz, Miguel A.; Suárez, Jaime","Gold(I) and related heterometallic derivatives of dimolybdenum complexes with asymmetric phosphinidene bridges.","Inorganic chemistry","2014","53","19","10325","10339","10.1021/ic501376v","","x-ray","1.54184","CuKα","","0.0376","0.0328","","","0.085","0.0891","","","","","","1.044","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341082","13.8275","0.0005","16.9809","0.0006","17.6409","0.0008","75.786","0.003","83.33","0.003","74.395","0.003","3861.8","0.3","100","2","100","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C74 H81 Au B F24 Mo2 O2 P2 -","- C74 H81 Au B F24 Mo2 O2 P2 -","- C148 H162 Au2 B2 F48 Mo4 O4 P4 -","2","1","","Alvarez, Belén; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; Ruiz, Miguel A.; Suárez, Jaime","Gold(I) and related heterometallic derivatives of dimolybdenum complexes with asymmetric phosphinidene bridges.","Inorganic chemistry","2014","53","19","10325","10339","10.1021/ic501376v","","x-ray","1.54184","CuKα","","0.0936","0.047","","","0.0977","0.1138","","","","","","0.863","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341083","17.5559","0.0002","11.5363","0.0002","36.3141","0.0006","90","","101.076","0.001","90","","7217.71","0.19","100","2","100","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H82 Au Cl4 F6 Mo4 O4 P3 -","- C62 H82 Au Cl4 F6 Mo4 O4 P3 -","- C248 H328 Au4 Cl16 F24 Mo16 O16 P12 -","4","1","","Alvarez, Belén; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; Ruiz, Miguel A.; Suárez, Jaime","Gold(I) and related heterometallic derivatives of dimolybdenum complexes with asymmetric phosphinidene bridges.","Inorganic chemistry","2014","53","19","10325","10339","10.1021/ic501376v","","x-ray","0.71073","MoKα","","0.0685","0.0548","","","0.1594","0.1713","","","","","","1.154","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341084","10.2449","0.0003","49.4211","0.0016","21.4992","0.0008","90","","100.297","0.002","90","","10710","0.6","100","0.1","100","0.1","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C104 H121 Au B F24 Mo4 O7 P2 -","- C104 H121 Au B F24 Mo4 O7 P2 -","- C416 H484 Au4 B4 F96 Mo16 O28 P8 -","4","1","","Alvarez, Belén; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; Ruiz, Miguel A.; Suárez, Jaime","Gold(I) and related heterometallic derivatives of dimolybdenum complexes with asymmetric phosphinidene bridges.","Inorganic chemistry","2014","53","19","10325","10339","10.1021/ic501376v","","x-ray","0.71073","MoKα","","0.1244","0.0632","","","0.1132","0.141","","","","","","1.03","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341085","15.6918","0.0003","15.6918","0.0003","9.46","0.0003","90","","90","","90","","2329.36","0.1","100","2","99.99","","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C46 H38 N2 O8 Zn2 -","- C46.08 H30.16 N2 O8 Zn2 -","- C46.08 H30.16 N2 O8 Zn2 -","1","0.0625","","Karagiaridi, Olga; Bury, Wojciech; Fairen-Jimenez, David; Wilmer, Christopher E.; Sarjeant, Amy A.; Hupp, Joseph T.; Farha, Omar K.","Enhanced Gas Sorption Properties and Unique Behavior toward Liquid Water in a Pillared-Paddlewheel Metal-Organic Framework Transmetalated with Ni(II).","Inorganic chemistry","2014","53","19","10432","10436","10.1021/ic501467w","","","1.54184","CuKα","","0.122","0.1169","","","0.3485","0.3567","","","","","","1.766","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341086","7.8776","0.0011","7.8954","0.0012","9.1597","0.0015","101.17","0.013","93.97","0.012","91.685","0.012","557.04","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H12 Cl2 N4 O Zn -","- C5 H12 Cl2 N4 O Zn -","- C10 H24 Cl4 N8 O2 Zn2 -","2","1","","Bolotin, Dmitrii S.; Kulish, Kirill I.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kukushkin, Vadim Yu","Zinc(II)-Mediated Nitrile-Amidoxime Coupling Gives New Insights into H(+)-Assisted Generation of 1,2,4-Oxadiazoles.","Inorganic chemistry","2014","53","19","10312","10324","10.1021/ic501333s","","","0.7107","MoKα","","0.0511","0.04","","","0.0905","0.0976","","","","","","1.074","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341087","7.4025","0.0003","8.6802","0.0005","11.9423","0.0007","106.319","0.005","102.198","0.004","101.709","0.004","691.1","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H14 Cl2 N4 O Zn -","- C10 H14 Cl2 N4 O Zn -","- C20 H28 Cl4 N8 O2 Zn2 -","2","1","","Bolotin, Dmitrii S.; Kulish, Kirill I.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kukushkin, Vadim Yu","Zinc(II)-Mediated Nitrile-Amidoxime Coupling Gives New Insights into H(+)-Assisted Generation of 1,2,4-Oxadiazoles.","Inorganic chemistry","2014","53","19","10312","10324","10.1021/ic501333s","","","0.7107","MoKα","","0.0388","0.0304","","","0.0616","0.0649","","","","","","1.068","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341088","7.6019","0.0003","7.8524","0.0003","10.6158","0.0004","90.408","0.003","91.919","0.003","91.267","0.003","633.16","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H14 Cl2 N4 O2 Zn -","- C7 H14 Cl2 N4 O2 Zn -","- C14 H28 Cl4 N8 O4 Zn2 -","2","1","","Bolotin, Dmitrii S.; Kulish, Kirill I.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kukushkin, Vadim Yu","Zinc(II)-Mediated Nitrile-Amidoxime Coupling Gives New Insights into H(+)-Assisted Generation of 1,2,4-Oxadiazoles.","Inorganic chemistry","2014","53","19","10312","10324","10.1021/ic501333s","","","0.71073","MoKα","","0.0353","0.0276","","","0.0531","0.0557","","","","","","1.062","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341089","10.2094","0.0004","10.2736","0.0006","15.753","0.0006","75.307","0.004","82.409","0.003","82.776","0.004","1576.9","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Cl4 N8 O4 Zn2 -","- C24 H32 Cl4 N8 O4 Zn2 -","- C48 H64 Cl8 N16 O8 Zn4 -","2","1","","Bolotin, Dmitrii S.; Kulish, Kirill I.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kukushkin, Vadim Yu","Zinc(II)-Mediated Nitrile-Amidoxime Coupling Gives New Insights into H(+)-Assisted Generation of 1,2,4-Oxadiazoles.","Inorganic chemistry","2014","53","19","10312","10324","10.1021/ic501333s","","","0.7107","MoKα","","0.0793","0.0526","","","0.0944","0.1059","","","","","","1.031","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341090","7.1856","0.0008","9.5278","0.001","11.3728","0.0009","106.485","0.008","106.955","0.009","102.763","0.009","673.88","0.14","100","2","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl2 N4 O2 Zn -","- C10 H12 Cl2 N4 O2 Zn -","- C20 H24 Cl4 N8 O4 Zn2 -","2","1","","Bolotin, Dmitrii S.; Kulish, Kirill I.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kukushkin, Vadim Yu","Zinc(II)-Mediated Nitrile-Amidoxime Coupling Gives New Insights into H(+)-Assisted Generation of 1,2,4-Oxadiazoles.","Inorganic chemistry","2014","53","19","10312","10324","10.1021/ic501333s","","","1.5418","CuKα","","0.0763","0.0505","","","0.1063","0.1189","","","","","","1.039","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341091","7.87089","0.00019","18.9689","0.0005","24.664","0.0007","90","","95.09","0.003","90","","3667.87","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 N4 O4 S -","- C17 H22 N4 O4 S -","- C136 H176 N32 O32 S8 -","8","1","","Bolotin, Dmitrii S.; Kulish, Kirill I.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kukushkin, Vadim Yu","Zinc(II)-Mediated Nitrile-Amidoxime Coupling Gives New Insights into H(+)-Assisted Generation of 1,2,4-Oxadiazoles.","Inorganic chemistry","2014","53","19","10312","10324","10.1021/ic501333s","","","0.7107","MoKα","","0.049","0.0403","","","0.0946","0.1003","","","","","","1.064","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341092","8.2774","0.0009","8.748","0.0008","14.9786","0.001","87.538","0.007","86.488","0.008","67.847","0.01","1002.43","0.17","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H48 N8 O10 S2 -","- C38 H48 N8 O10 S2 -","- C38 H48 N8 O10 S2 -","1","1","","Bolotin, Dmitrii S.; Kulish, Kirill I.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kukushkin, Vadim Yu","Zinc(II)-Mediated Nitrile-Amidoxime Coupling Gives New Insights into H(+)-Assisted Generation of 1,2,4-Oxadiazoles.","Inorganic chemistry","2014","53","19","10312","10324","10.1021/ic501333s","","","0.71073","MoKα","","0.1774","0.0835","","","0.1441","0.2058","","","","","","0.95","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341093","8.7901","0.0018","11.461","0.002","20.172","0.004","90","","90","","90","","2032.2","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Ge N2 S -","- C21 H28 Ge N2 S -","- C84 H112 Ge4 N8 S4 -","4","1","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Use of thio and seleno germanones as ligands: silver(i) halide complexes with ge═e→ag-I (e = s, se) moieties and chalcogen-dependent argentophilic interaction.","Inorganic chemistry","2014","53","19","10054","10059","10.1021/ic5008389","","","0.71073","MoKα","","0.0253","0.0221","","","0.0557","0.0563","","","","","","1.018","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341094","8.8178","0.0011","11.6655","0.0014","20.231","0.003","90","","90","","90","","2081","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Ge N2 Se -","- C21 H28 Ge N2 Se -","- C84 H112 Ge4 N8 Se4 -","4","1","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Use of thio and seleno germanones as ligands: silver(i) halide complexes with ge═e→ag-I (e = s, se) moieties and chalcogen-dependent argentophilic interaction.","Inorganic chemistry","2014","53","19","10054","10059","10.1021/ic5008389","","","0.71073","MoKα","","0.0226","0.0212","","","0.0493","0.0499","","","","","","1.039","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341095","12.406","0.0019","18.128","0.003","21.255","0.003","90","","90","","90","","4780.2","1.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H56 Ag2 Ge2 I2 N4 S2 -","- C42 H56 Ag2 Ge2 I2 N4 S2 -","- C168 H224 Ag8 Ge8 I8 N16 S8 -","4","0.5","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Use of thio and seleno germanones as ligands: silver(i) halide complexes with ge═e→ag-I (e = s, se) moieties and chalcogen-dependent argentophilic interaction.","Inorganic chemistry","2014","53","19","10054","10059","10.1021/ic5008389","","","0.71073","MoKα","","0.0773","0.0523","","","0.1292","0.1516","","","","","","1.083","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341096","12.6196","0.0017","13.5552","0.0018","13.8275","0.0019","90","","95.258","0.002","90","","2355.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Ag2 Ge2 I2 N4 Se2 -","- C42 H56 Ag2 Ge2 I2 N4 Se2 -","- C84 H112 Ag4 Ge4 I4 N8 Se4 -","2","0.5","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Use of thio and seleno germanones as ligands: silver(i) halide complexes with ge═e→ag-I (e = s, se) moieties and chalcogen-dependent argentophilic interaction.","Inorganic chemistry","2014","53","19","10054","10059","10.1021/ic5008389","","","0.71073","MoKα","","0.0356","0.0286","","","0.0693","0.0717","","","","","","1.049","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341097","9.5256","0.0005","16.9629","0.0009","19.215","0.001","64.432","0.003","78.376","0.003","78.05","0.003","2717.9","0.3","100","","99.74","","","","","","","","","6","P -1","-P 1","2","","Cobalt(C3S5)2","","- C56 H43 Co N P2 S10 -","- C56 H43 Co N P2 S10 -","- C112 H86 Co2 N2 P4 S20 -","2","1","","Fataftah, Majed S.; Zadrozny, Joseph M.; Rogers, Dylan M.; Freedman, Danna E.","A mononuclear transition metal single-molecule magnet in a nuclear spin-free ligand environment.","Inorganic chemistry","2014","53","19","10716","10721","10.1021/ic501906z","","x-ray","0.71073","MoKα","","0.0791","0.0485","","","0.1193","0.1554","","","","","","1.088","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341098","9.5492","0.0004","16.946","0.0008","19.166","0.0009","64.712","0.002","78.433","0.002","77.777","0.002","2719.3","0.2","100","","100.01","","","","","","","","","6","P -1","-P 1","2","(Ph4P)2[Zn(dmit)2](MeCN)","","","- C56 H43 N P2 S10 Zn -","- C55.996 H42.994 N0.998 P2 S10 Zn -","- C111.992 H85.988 N1.996 P4 S20 Zn2 -","2","1","","Fataftah, Majed S.; Zadrozny, Joseph M.; Rogers, Dylan M.; Freedman, Danna E.","A mononuclear transition metal single-molecule magnet in a nuclear spin-free ligand environment.","Inorganic chemistry","2014","53","19","10716","10721","10.1021/ic501906z","","","0.71073","MoKα","","0.0377","0.031","","","0.0789","0.0899","","","","","","1.083","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341099","8.7027","0.0002","13.4517","0.0003","17.6488","0.0003","111.438","0.001","91.109","0.001","97.763","0.001","1900.21","0.07","90","0.2","90","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H56 Cl4 F24 N12 O4 P4 Ru2 -","- C70 H56 Cl4 F24 N12 O4 P4 Ru2 -","- C70 H56 Cl4 F24 N12 O4 P4 Ru2 -","1","0.5","","Hidayatullah, Achmad N.; Wachter, Erin; Heidary, David K.; Parkin, Sean; Glazer, Edith C.","Photoactive Ru(II) Complexes With Dioxinophenanthroline Ligands Are Potent Cytotoxic Agents.","Inorganic chemistry","2014","53","19","10030","10032","10.1021/ic5017164","","","1.54178","CuKα","","0.0527","0.0503","","","0.1409","0.1431","","","","","","1.08","","","","has coordinates,has disorder","179513","2020-10-21","18:00:00",""
"4341100","9.7231","0.0004","12.8548","0.0005","31.9101","0.001","90","","93.038","0.003","90","","3982.8","0.3","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 F12 N6 O3 P2 Ru -","- C39 H36 F12 N6 O3 P2 Ru -","- C156 H144 F48 N24 O12 P8 Ru4 -","4","1","","Hidayatullah, Achmad N.; Wachter, Erin; Heidary, David K.; Parkin, Sean; Glazer, Edith C.","Photoactive Ru(II) Complexes With Dioxinophenanthroline Ligands Are Potent Cytotoxic Agents.","Inorganic chemistry","2014","53","19","10030","10032","10.1021/ic5017164","","","1.54178","CuKα","","0.1188","0.0732","","","0.1927","0.2072","","","","","","1.06","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341101","18.2098","0.0003","18.2426","0.0003","19.037","0.0004","82.456","0.001","73.47","0.001","64.414","0.001","5467.84","0.18","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H34 F12 N6 O2 P2 Ru -","- C42 H34 F12 N6 O2 P2 Ru -","- C168 H136 F48 N24 O8 P8 Ru4 -","4","2","","Hidayatullah, Achmad N.; Wachter, Erin; Heidary, David K.; Parkin, Sean; Glazer, Edith C.","Photoactive Ru(II) Complexes With Dioxinophenanthroline Ligands Are Potent Cytotoxic Agents.","Inorganic chemistry","2014","53","19","10030","10032","10.1021/ic5017164","","","1.54178","CuKα","","0.1046","0.0826","","","0.2332","0.2681","","","","","","1.049","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341109","12.6106","0.0002","14.1988","0.0003","22.0662","0.0004","76.3912","0.0003","81.5811","0.0003","66.8814","0.0003","3525.3","0.11","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C84 H68 Ag2 Cu2 N4 P4 -","- C84 H68 Ag2 Cu2 N4 P4 -","- C168 H136 Ag4 Cu4 N8 P8 -","2","1","","Jarzembska, Katarzyna N.; Kamiński, Radosław; Fournier, Bertrand; Trzop, Elżbieta; Sokolow, Jesse D.; Henning, Robert; Chen, Yang; Coppens, Philip","Shedding light on the photochemistry of coinage-metal phosphorescent materials: a time-resolved laue diffraction study of an ag(i)-cu(i) tetranuclear complex.","Inorganic chemistry","2014","53","19","10594","10601","10.1021/ic501696y","","","0.71073","MoKα","","0.0476","0.0281","","","0.0652","0.0741","","","","1.1","1.1","1.03","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341110","13.6987","0.0003","15.2734","0.0003","16.4063","0.0004","93.783","0.001","104.633","0.001","106.144","0.001","3155.85","0.12","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","bis(triphenylphosphoranyl)iminium tetrakis(mu-thiobenzoato-1kS:2kO)(chlorido-1kCl) nickelplatinum - dichloromethane - water (1/1/0.5)","","- C65 H53 Cl3 N Ni O4.5 P2 Pt S4 -","- C65 H52 Cl3 N Ni O4.5 P2 Pt S4 -","- C130 H104 Cl6 N2 Ni2 O9 P4 Pt2 S8 -","2","1","","Gennari, Marcello; Givaja, Gonzalo; Castillo, Oscar; Hermosilla, Laura; Gómez-García, Carlos J; Duboc, Carole; Lledós, Agustí; Mas-Ballesté, Ruben; Zamora, Felix","On the Road to MM'X Polymers: Redox Properties of Heterometallic Ni···Pt Paddlewheel Complexes.","Inorganic chemistry","2014","53","19","10553","10562","10.1021/ic501659x","","","0.71073","MoKα","","0.0773","0.0452","","","0.1225","0.1511","","","","","","1.073","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341111","21.743","0.005","11.782","0.002","14.893","0.003","90","","90","","90","","3815.2","1.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","tetrakis(mu-thiobenzoato-1kS:2kO)(aqua-2kO)(chlorido-1kCl) nickelplatinum - tetrahydrofurane (1/2)","","- C36 H38 Cl Ni O7 Pt S4 -","- C36 H38 Cl Ni O7 Pt S4 -","- C144 H152 Cl4 Ni4 O28 Pt4 S16 -","4","1","","Gennari, Marcello; Givaja, Gonzalo; Castillo, Oscar; Hermosilla, Laura; Gómez-García, Carlos J; Duboc, Carole; Lledós, Agustí; Mas-Ballesté, Ruben; Zamora, Felix","On the Road to MM'X Polymers: Redox Properties of Heterometallic Ni···Pt Paddlewheel Complexes.","Inorganic chemistry","2014","53","19","10553","10562","10.1021/ic501659x","","","0.71073","MoKα","","0.1321","0.0554","","","0.1214","0.2183","","","","","","0.998","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341112","16.1652","0.0016","32.456","0.003","26.362","0.003","90","","98.963","0.001","90","","13662","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H137 Cd4 N22 O72 P6 V21 -","- C34 H92 Cd4 N22 O72 P6 V21 -","- C136 H368 Cd16 N88 O288 P24 V84 -","4","0.5","","Wan, Hongxiang; Wang, Congling; Zhang, Yu; Miao, Hao; Zhou, Shuai; Xu, Yan","Four 2D ""Fully Reduced"" Polyoxovanadates: Vanadium Oxide Clusters Encapsulating Different Guest Molecules.","Inorganic chemistry","2014","53","19","10498","10505","10.1021/ic501573p","","","0.71073","MoKα","","0.0797","0.0605","","","0.1997","0.2147","","","","","","1.15","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341113","16.212","0.002","33.124","0.004","25.237","0.003","90","","98.782","0.002","90","","13394","3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H154 Co4 N24 O76 P6 V21 -","- C38 H111 Co4 N24 O75 P6 V21 -","- C152 H444 Co16 N96 O300 P24 V84 -","4","1","","Wan, Hongxiang; Wang, Congling; Zhang, Yu; Miao, Hao; Zhou, Shuai; Xu, Yan","Four 2D ""Fully Reduced"" Polyoxovanadates: Vanadium Oxide Clusters Encapsulating Different Guest Molecules.","Inorganic chemistry","2014","53","19","10498","10505","10.1021/ic501573p","","","0.71073","MoKα","","0.1165","0.0755","","","0.2321","0.2555","","","","","","1.134","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341114","16","0.009","32.15","0.02","26.208","0.014","90","","98.974","0.007","90","","13316","13","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H125 Cd4 N22 O65 P6 V21 -","- C35 H93 Cd4 N22 O65 P6 V21 -","- C140 H372 Cd16 N88 O260 P24 V84 -","4","0.5","","Wan, Hongxiang; Wang, Congling; Zhang, Yu; Miao, Hao; Zhou, Shuai; Xu, Yan","Four 2D ""Fully Reduced"" Polyoxovanadates: Vanadium Oxide Clusters Encapsulating Different Guest Molecules.","Inorganic chemistry","2014","53","19","10498","10505","10.1021/ic501573p","","","0.71073","MoKα","","0.1617","0.0976","","","0.2742","0.3038","","","","","","1.097","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341115","16.174","0.003","32.471","0.006","26.337","0.005","90","","98.958","0.002","90","","13663","4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H137 Cd4 N22 O72 P6 V21 -","- C35 H106 Cd4 N22 O71.98 P6 V21 -","- C140 H424 Cd16 N88 O287.92 P24 V84 -","4","0.5","","Wan, Hongxiang; Wang, Congling; Zhang, Yu; Miao, Hao; Zhou, Shuai; Xu, Yan","Four 2D ""Fully Reduced"" Polyoxovanadates: Vanadium Oxide Clusters Encapsulating Different Guest Molecules.","Inorganic chemistry","2014","53","19","10498","10505","10.1021/ic501573p","","","0.71073","MoKα","","0.081","0.0596","","","0.1933","0.208","","","","","","1.18","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341116","17.3752","0.001","17.3752","0.001","40.085","0.002","90","","90","","120","","10480.3","1","103","2","103","2","","","","","","","","6","R 3","R 3","146","","","","- C140 H128.79 Cl16 Cu6 O15 P6 -","- C140 H128.74 Cl15.9996 Cu6 O15 P6 -","- C419.999 H386.219 Cl47.9988 Cu18 O45 P18 -","3","","","Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.","A one-pot diastereoselective self assembly of C-stereogenic copper(i) diphosphine clusters.","Inorganic chemistry","2014","53","19","10232","10239","10.1021/ic501233w","","","0.71073","MoKα","","0.108","0.0686","","","0.1828","0.2106","","","","","","1.007","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4341117","33.8786","0.0006","33.8786","0.0006","42.7681","0.0009","90","","90","","120","","42511","1.4","103","2","103","2","","","","","","","","7","R 3","R 3","146","","","","- C144.62 H115.25 Cl7.25 Cu6 F6 O6 P6 -","- C144.625 H115.25 Cl7.24995 Cu6 F6 O6 P6 -","- C1735.5 H1383 Cl86.9994 Cu72 F72 O72 P72 -","12","","","Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.","A one-pot diastereoselective self assembly of C-stereogenic copper(i) diphosphine clusters.","Inorganic chemistry","2014","53","19","10232","10239","10.1021/ic501233w","","","0.71073","MoKα","","0.1256","0.072","","","0.1907","0.2329","","","","","","1.031","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341118","29.858","0.0018","17.4887","0.001","28.7963","0.0017","90","","105.65","0.002","90","","14479.3","1.5","103","2","103","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C150 H132 Cl18 Cu6 O6 P6 -","- C150 H132 Cl18 Cu6 O6 P6 -","- C600 H528 Cl72 Cu24 O24 P24 -","4","1","","Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.","A one-pot diastereoselective self assembly of C-stereogenic copper(i) diphosphine clusters.","Inorganic chemistry","2014","53","19","10232","10239","10.1021/ic501233w","","","0.71073","MoKα","","0.1405","0.0672","","","0.1511","0.1983","","","","","","0.991","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341119","12.6496","0.0009","13.5286","0.0009","14.9416","0.001","64.969","0.003","80.065","0.004","62.687","0.004","2057.8","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H80 Cl4 Cu4 O4 P4 -","- C96 H80 Cl4 Cu4 O4 P4 -","- C96 H80 Cl4 Cu4 O4 P4 -","1","0.5","","Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.","A one-pot diastereoselective self assembly of C-stereogenic copper(i) diphosphine clusters.","Inorganic chemistry","2014","53","19","10232","10239","10.1021/ic501233w","","","0.71073","MoKα","","0.0846","0.0583","","","0.162","0.1949","","","","","","1.111","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341120","29.118","0.003","29.118","0.003","16.8751","0.0014","90","","90","","120","","12391","2","153","2","153","2","","","","","","","","6","R 3","R 3","146","","","","- C142 H152 Cl38 Cu6 O24 P6 -","- C126 H120 Cl6 Cu6 O24 P6 -","- C378 H360 Cl18 Cu18 O72 P18 -","3","","","Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.","A one-pot diastereoselective self assembly of C-stereogenic copper(i) diphosphine clusters.","Inorganic chemistry","2014","53","19","10232","10239","10.1021/ic501233w","","","0.71073","MoKα","","0.1317","0.0826","","","0.2082","0.2272","","","","","","0.951","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341121","24.3499","0.0019","24.3499","0.0019","24.3499","0.0019","90","","90","","90","","14437","2","103","2","103","2","","","","","","","","6","P 2 3","P 2 2 3","195","","","","- C150 H132 Cl6 Cu6 O6 P6 -","- C150 H132 Cl6 Cu6 O6 P6 -","- C600 H528 Cl24 Cu24 O24 P24 -","4","0.333333","","Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.","A one-pot diastereoselective self assembly of C-stereogenic copper(i) diphosphine clusters.","Inorganic chemistry","2014","53","19","10232","10239","10.1021/ic501233w","","","0.71073","MoKα","","0.2083","0.1173","","","0.3159","0.3854","","","","","","1.313","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341122","12.3108","0.0013","12.7998","0.0015","16.8206","0.0019","74.1","0.01","69.449","0.01","86.513","0.009","2385","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H63 Ni2 Zn8 -","- C36 H63 Ni2 Zn8 -","- C72 H126 Ni4 Zn16 -","2","1","","Molon, Mariusz; Gemel, Christian; Jerabek, Paul; Trombach, Lukas; Frenking, Gernot; Fischer, Roland A.","Hume-Rothery Phase-Inspired Metal-Rich Molecules: Cluster Expansion of [Ni(ZnMe)6(ZnCp*)2] by Face Capping with Ni(0)(η(6)-toluene) and Ni(I)(η(5)-Cp*).","Inorganic chemistry","2014","53","19","10403","10411","10.1021/ic5014335","","","0.71073","MoKα","","0.0506","0.0403","","","0.1042","0.1087","","","","","","1.051","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341123","11.5255","0.0006","15.5222","0.0007","12.2666","0.0006","90","","116.007","0.006","90","","1972.29","0.19","105","2","105","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C33 H56 Ni2 Zn8 -","- C33 H56 Ni2 Zn8 -","- C66 H112 Ni4 Zn16 -","2","0.5","","Molon, Mariusz; Gemel, Christian; Jerabek, Paul; Trombach, Lukas; Frenking, Gernot; Fischer, Roland A.","Hume-Rothery Phase-Inspired Metal-Rich Molecules: Cluster Expansion of [Ni(ZnMe)6(ZnCp*)2] by Face Capping with Ni(0)(η(6)-toluene) and Ni(I)(η(5)-Cp*).","Inorganic chemistry","2014","53","19","10403","10411","10.1021/ic5014335","","","0.71073","MoKα","","0.0925","0.054","","","0.0987","0.1123","","","","","","1.036","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341124","18.2299","0.0017","16.8979","0.0016","39.677","0.004","90","","90","","90","","12222","2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Pb(DOPO)2 . 2C6H6","Bis(2,4,6,8-tetra-tert-butyl-1,9-dioxophenoxazinato)lead(II) dibenzene solvate","","- C68 H88 N2 O6 Pb -","- C68 H88 N2 O6 Pb -","- C544 H704 N16 O48 Pb8 -","8","1","","Ranis, Leila G.; Werellapatha, Kalpani; Pietrini, Nicholas J.; Bunker, Bruce A.; Brown, Seth N.","Metal and Ligand Effects on Bonding in Group 6 Complexes of Redox-Active Amidodiphenoxides","Inorganic Chemistry","2014","","","140923084651005","","10.1021/ic501222n","","","0.71073","MoKα","","0.0544","0.0371","","","0.0834","0.0897","","","","","","1.083","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341125","11.5456","0.0012","12.057","0.0013","20.4771","0.002","82.951","0.006","74.123","0.005","76.035","0.006","2655.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Mo(ONO)2","Bis(bis(3,5-di-tert-butyl-2-oxyphenyl)amido)molybdenum(VI)","","- C56 H80 Mo N2 O4 -","- C56 H80 Mo N2 O4 -","- C112 H160 Mo2 N4 O8 -","2","1","","Ranis, Leila G.; Werellapatha, Kalpani; Pietrini, Nicholas J.; Bunker, Bruce A.; Brown, Seth N.","Metal and Ligand Effects on Bonding in Group 6 Complexes of Redox-Active Amidodiphenoxides","Inorganic Chemistry","2014","","","140923084651005","","10.1021/ic501222n","","","0.71073","MoKα","","0.0873","0.0508","","","0.1099","0.125","","","","","","1.04","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341126","20.518","0.002","19.86","0.002","12.9284","0.0014","90","","90.849","0.002","90","","5267.6","0.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(DOPO)2Mo","Bis(2,4,6,8-tetra-tert-butyl-1,9-dioxophenoxazinato)molybdenum(VI)","","- C56 H76 Mo N2 O6 -","- C56 H76 Mo N2 O6 -","- C224 H304 Mo4 N8 O24 -","4","1","","Ranis, Leila G.; Werellapatha, Kalpani; Pietrini, Nicholas J.; Bunker, Bruce A.; Brown, Seth N.","Metal and Ligand Effects on Bonding in Group 6 Complexes of Redox-Active Amidodiphenoxides","Inorganic Chemistry","2014","","","140923084651005","","10.1021/ic501222n","","","0.71073","MoKα","","0.1152","0.0503","","","0.0843","0.097","","","","","","0.912","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341127","20.554","0.0012","19.8902","0.0012","12.9611","0.0008","90","","91.0736","0.0012","90","","5297.9","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(DOPO)2W","Bis(2,4,6,8-tetra-tert-butyl-1,9-dioxophenoxazinato)tungsten(VI)","","- C56 H76 N2 O6 W -","- C56 H76 N2 O6 W -","- C224 H304 N8 O24 W4 -","4","1","","Ranis, Leila G.; Werellapatha, Kalpani; Pietrini, Nicholas J.; Bunker, Bruce A.; Brown, Seth N.","Metal and Ligand Effects on Bonding in Group 6 Complexes of Redox-Active Amidodiphenoxides","Inorganic Chemistry","2014","","","140923084651005","","10.1021/ic501222n","","","0.71073","MoKα","","0.0315","0.0226","","","0.0514","0.0556","","","","","","1.043","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341128","11.4672","0.0007","12.131","0.0005","20.6054","0.0009","83.393","0.003","73.886","0.005","76.116","0.004","2669.7","0.2","100","0.1","100","2","","","","","","","","5","P -1","-P 1","2","(ONO)2Cr","Bis(bis(3,5-di-tert-butyl-2-oxyphenyl)amido)chromium(VI)","","- C56 H80 Cr N2 O4 -","- C56 H80 Cr N2 O4 -","- C112 H160 Cr2 N4 O8 -","2","1","","Ranis, Leila G.; Werellapatha, Kalpani; Pietrini, Nicholas J.; Bunker, Bruce A.; Brown, Seth N.","Metal and Ligand Effects on Bonding in Group 6 Complexes of Redox-Active Amidodiphenoxides","Inorganic Chemistry","2014","","","140923084651005","","10.1021/ic501222n","","","0.71073","MoKα","","0.0965","0.0611","","","0.1322","0.1588","","","","","","1.028","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341129","40.261","0.004","12.7201","0.0011","25.355","0.003","90","","124.543","0.004","90","","10696","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cr(DOPO)2","Bis(2,4,6,8-tetra-tert-butyl-1,9-dioxophenoxazinato)chromium","","- C56 H76 Cr N2 O6 -","- C56 H76 Cr N2 O6 -","- C448 H608 Cr8 N16 O48 -","8","1","","Ranis, Leila G.; Werellapatha, Kalpani; Pietrini, Nicholas J.; Bunker, Bruce A.; Brown, Seth N.","Metal and Ligand Effects on Bonding in Group 6 Complexes of Redox-Active Amidodiphenoxides","Inorganic Chemistry","2014","","","140923084651005","","10.1021/ic501222n","","","0.71073","MoKα","","0.0657","0.0445","","","0.1096","0.1222","","","","","","1.023","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341130","16.7265","0.0008","22.7706","0.0011","26.4205","0.0014","90","","90","","90","","10062.8","0.9","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H28 F30 Ga2 I6 N12 -","- C94 H28 F30 Ga2 I4.68 N12 -","- C376 H112 F120 Ga8 I18.72 N48 -","4","1","","Vestfrid, Jenya; Goldberg, Israel; Gross, Zeev","Tuning the photophysical and redox properties of metallocorroles by iodination.","Inorganic chemistry","2014","53","19","10536","10542","10.1021/ic501585a","","","0.71073","MoKα","","0.0648","0.0522","","","0.1232","0.1281","","","","","","1.02","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341131","12.6301","0.0008","13.5359","0.0008","16.5061","0.001","89.07","0.002","84.448","0.001","85.981","0.002","2801.6","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H74 Cl6 N4 O10 -","- C54 H74 Cl6 N4 O10 -","- C108 H148 Cl12 N8 O20 -","2","1","","Ikeda, Mari; Matsumoto, Mikako; Kuwahara, Shunsuke; Habata, Yoichi","Tetra-armed cyclen bearing two benzo-15-crown-5 ethers in the side arms.","Inorganic chemistry","2014","53","19","10514","10519","10.1021/ic501590a","","","0.71073","MoKα","","0.189","0.1294","","","0.352","0.4009","","","","","","1.281","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341132","13.3083","0.0009","14.7067","0.001","15.679","0.001","79.767","0.001","73.167","0.001","76.79","0.001","2839","0.3","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H80 Ag F3 N4 O15 S -","- C55 H76 Ag F3 N4 O15 S -","- C110 H152 Ag2 F6 N8 O30 S2 -","2","1","","Ikeda, Mari; Matsumoto, Mikako; Kuwahara, Shunsuke; Habata, Yoichi","Tetra-armed cyclen bearing two benzo-15-crown-5 ethers in the side arms.","Inorganic chemistry","2014","53","19","10514","10519","10.1021/ic501590a","","","0.71073","MoKα","","0.0983","0.0613","","","0.1225","0.1395","","","","","","1.016","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341133","12.791","0.005","12.816","0.005","20.033","0.007","98.293","0.003","98.983","0.004","107.565","0.003","3028","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H24.5 Cl2.5 N4 O6 Os -","- C32.5 H24.5 Cl2.5 N4 O6 Os -","- C130 H98 Cl10 N16 O24 Os4 -","4","2","","Ghosh, Prabir; Ray, Ritwika; Das, Ankita; Lahiri, Goutam Kumar","Revelation of Varying Coordination Modes and Noninnocence of Deprotonated 2,2'-Bipyridine-3,3'-diol in {Os(bpy)2} Frameworks.","Inorganic chemistry","2014","53","19","10695","10707","10.1021/ic501852a","","","0.71075","MoKα","","0.0765","0.0672","","","0.1661","0.1816","","","","","","0.979","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341134","20.194","0.003","20.023","0.003","14.143","0.002","90","","96.572","0.002","90","","5681.1","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H48 Cl4 N10 O11 Os2 -","- C58 H48 Cl4 N10 O11 Os2 -","- C232 H192 Cl16 N40 O44 Os8 -","4","1","","Ghosh, Prabir; Ray, Ritwika; Das, Ankita; Lahiri, Goutam Kumar","Revelation of Varying Coordination Modes and Noninnocence of Deprotonated 2,2'-Bipyridine-3,3'-diol in {Os(bpy)2} Frameworks.","Inorganic chemistry","2014","53","19","10695","10707","10.1021/ic501852a","","","0.71075","MoKα","","0.0777","0.0642","","","0.1674","0.1801","","","","","","1.11","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341135","8.899","0.011","11.948","0.014","15.427","0.019","96.098","0.015","105.56","0.03","93.292","0.019","1565","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Cl N6 O6 Os -","- C30 H23 Cl N6 O6 Os -","- C60 H46 Cl2 N12 O12 Os2 -","2","1","","Ghosh, Prabir; Ray, Ritwika; Das, Ankita; Lahiri, Goutam Kumar","Revelation of Varying Coordination Modes and Noninnocence of Deprotonated 2,2'-Bipyridine-3,3'-diol in {Os(bpy)2} Frameworks.","Inorganic chemistry","2014","53","19","10695","10707","10.1021/ic501852a","","","0.71075","MoKα","","0.0749","0.0658","","","0.1749","0.1858","","","","","","1.089","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341136","8.608","0.002","13.845","0.004","14.172","0.004","77.118","0.01","72.478","0.01","84.891","0.013","1569.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Cl N6 O6 Os -","- C30 H23 Cl N6 O6 Os -","- C60 H46 Cl2 N12 O12 Os2 -","2","1","","Ghosh, Prabir; Ray, Ritwika; Das, Ankita; Lahiri, Goutam Kumar","Revelation of Varying Coordination Modes and Noninnocence of Deprotonated 2,2'-Bipyridine-3,3'-diol in {Os(bpy)2} Frameworks.","Inorganic chemistry","2014","53","19","10695","10707","10.1021/ic501852a","","","0.71075","MoKα","","0.0384","0.0332","","","0.0669","0.0697","","","","","","1.005","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341137","10.816","0.0006","13.8608","0.0008","24.5131","0.0015","89.373","0.002","89.037","0.002","84.84","0.002","3659.4","0.4","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H80 Br2 Mn N22 O9 W Zn -","- C62 H70 Br2 Mn N22 O8.99 W Zn -","- C124 H140 Br4 Mn2 N44 O17.98 W2 Zn2 -","2","1","","Yoon, Jung Hee; Lim, Kwang Soo; Ryu, Dae Won; Lee, Woo Ram; Yoon, Sung Won; Suh, Byoung Jin; Hong, Chang Seop","Synthesis, Crystal Structures, and Magnetic Properties of Cyanide-Bridged W(V)Mn(III) Anionic Coordination Polymers Containing Divalent Cationic Moieties: Slow Magnetic Relaxations and Spin Crossover Phenomenon.","Inorganic chemistry","2014","53","19","10437","10442","10.1021/ic501506s","","","0.71073","MoKα","","0.0307","0.0257","","","0.0681","0.0817","","","","","","1.106","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341138","10.7016","0.0002","14.1793","0.0003","24.4382","0.0006","88.794","0.001","87.291","0.001","82.459","0.001","3671.69","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H72 Br2 Fe Mn N22 O4 W -","- C63 H62 Br2 Fe Mn N22 O4 W -","- C126 H124 Br4 Fe2 Mn2 N44 O8 W2 -","2","1","","Yoon, Jung Hee; Lim, Kwang Soo; Ryu, Dae Won; Lee, Woo Ram; Yoon, Sung Won; Suh, Byoung Jin; Hong, Chang Seop","Synthesis, Crystal Structures, and Magnetic Properties of Cyanide-Bridged W(V)Mn(III) Anionic Coordination Polymers Containing Divalent Cationic Moieties: Slow Magnetic Relaxations and Spin Crossover Phenomenon.","Inorganic chemistry","2014","53","19","10437","10442","10.1021/ic501506s","","","0.71073","MoKα","","0.0988","0.0555","","","0.1372","0.1603","","","","","","1.057","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341139","17.425","0.003","11.8512","0.0016","21.719","0.003","90","","108.686","0.005","90","","4248.7","1.1","156","2","156","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44.25 H46.5 B Cl2.5 N6 Rh -","- C44.25 H46.5 B Cl2.5 N6 Rh -","- C177 H186 B4 Cl10 N24 Rh4 -","4","1","","Mancano, Giulia; Page, Michael J.; Bhadbhade, Mohan; Messerle, Barbara A.","Hemilabile and Bimetallic Coordination in Rh and Ir Complexes of NCN Pincer Ligands.","Inorganic chemistry","2014","53","19","10159","10170","10.1021/ic501158x","","","0.71073","MoKα","","0.052","0.0455","","","0.1279","0.1371","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341140","11.6656","0.0003","11.3435","0.0003","14.6475","0.0004","90","","97.391","0.001","90","","1922.18","0.09","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H48 B N6 Rh -","- C45 H48 B N6 Rh -","- C90 H96 B2 N12 Rh2 -","2","1","","Mancano, Giulia; Page, Michael J.; Bhadbhade, Mohan; Messerle, Barbara A.","Hemilabile and Bimetallic Coordination in Rh and Ir Complexes of NCN Pincer Ligands.","Inorganic chemistry","2014","53","19","10159","10170","10.1021/ic501158x","","","0.71073","MoKα","","0.0225","0.0213","","","0.0543","0.0552","","","","","","1.04","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341141","11.8066","0.0004","9.6104","0.0003","35.9142","0.0011","90","","95.944","0.002","90","","4053.1","0.2","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 B Ir N6 O -","- C47 H52 B Ir N6 O -","- C188 H208 B4 Ir4 N24 O4 -","4","1","","Mancano, Giulia; Page, Michael J.; Bhadbhade, Mohan; Messerle, Barbara A.","Hemilabile and Bimetallic Coordination in Rh and Ir Complexes of NCN Pincer Ligands.","Inorganic chemistry","2014","53","19","10159","10170","10.1021/ic501158x","","","0.71073","MoKα","","0.0395","0.0277","","","0.0518","0.0554","","","","","","1.056","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341142","10.3367","0.0003","12.8201","0.0004","19.6142","0.0007","92.847","0.001","102.154","0.002","94.312","0.001","2528.05","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54.5 H57 B Cl Ir N12 -","- C54.5 H57 B Cl Ir N12 -","- C109 H114 B2 Cl2 Ir2 N24 -","2","1","","Mancano, Giulia; Page, Michael J.; Bhadbhade, Mohan; Messerle, Barbara A.","Hemilabile and Bimetallic Coordination in Rh and Ir Complexes of NCN Pincer Ligands.","Inorganic chemistry","2014","53","19","10159","10170","10.1021/ic501158x","","","0.71073","MoKα","","0.0297","0.0281","","","0.0817","0.0834","","","","","","1.155","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341143","11.0074","0.0011","24.21","0.002","11.393","0.0011","90","","113.011","0.002","90","","2794.5","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H66 B Cl2 Ir N12 -","- C59 H66 B Cl2 Ir N12 -","- C118 H132 B2 Cl4 Ir2 N24 -","2","1","","Mancano, Giulia; Page, Michael J.; Bhadbhade, Mohan; Messerle, Barbara A.","Hemilabile and Bimetallic Coordination in Rh and Ir Complexes of NCN Pincer Ligands.","Inorganic chemistry","2014","53","19","10159","10170","10.1021/ic501158x","","","0.71073","MoKα","","0.0167","0.016","","","0.0394","0.0397","","","","","","1.002","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341144","12.6272","0.0004","26.3368","0.0008","22.9366","0.0007","90","","91.129","0.001","90","","7626.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75.75 H71.5 B2 N12 O3.25 Rh2 -","- C75.75 H71.5 B2 N12 O3.25 Rh2 -","- C303 H286 B8 N48 O13 Rh8 -","4","1","","Mancano, Giulia; Page, Michael J.; Bhadbhade, Mohan; Messerle, Barbara A.","Hemilabile and Bimetallic Coordination in Rh and Ir Complexes of NCN Pincer Ligands.","Inorganic chemistry","2014","53","19","10159","10170","10.1021/ic501158x","","","0.71073","MoKα","","0.1553","0.0623","","","0.1449","0.1834","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341145","10.6492","0.0003","21.8027","0.0005","41.839","0.001","90","","92.57","0.001","90","","9704.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H54 Mn3 N13 O6 Re -","- C43 H54 Mn3 N13 O6 Re -","- C344 H432 Mn24 N104 O48 Re8 -","8","2","","Samsonenko, Denis G.; Paulsen, Carley; Lhotel, Elsa; Mironov, Vladimir S.; Vostrikova, Kira E.","[Mn(III)(Schiff Base)]3[Re(IV)(CN)7], Highly Anisotropic 3D Coordination Framework: Synthesis, Crystal Structure, Magnetic Investigations, and Theoretical Analysis.","Inorganic chemistry","2014","53","19","10217","10231","10.1021/ic501247x","","x-ray","0.71073","MoKα","","0.0755","0.0553","","","0.0957","0.0993","","","","","","1.199","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341146","8.5324","0.0004","13.7662","0.0007","21.9638","0.0009","90","","99.743","0.001","90","","2542.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 B3 Ru2 S2 -","- C21 H38 B3 Ru2 S2 -","- C84 H152 B12 Ru8 S8 -","4","1","","Anju, R. S.; Saha, Koushik; Mondal, Bijan; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-Francois; Ghosh, Sundargopal","Chemistry of diruthenium analogue of pentaborane(9) with heterocumulenes: toward novel trimetallic cubane-type clusters.","Inorganic chemistry","2014","53","19","10527","10535","10.1021/ic501623f","","","0.71073","MoKα","","0.0463","0.029","","","0.0636","0.0722","","","","","","1.014","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341147","9.8408","0.0004","14.9804","0.0007","19.2336","0.0008","90","","98.532","0.002","90","","2804","0.2","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 B3 Mn O3 Ru2 S2 -","- C24 H34 B3 Mn O3 Ru2 S2 -","- C96 H136 B12 Mn4 O12 Ru8 S8 -","4","1","","Anju, R. S.; Saha, Koushik; Mondal, Bijan; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-Francois; Ghosh, Sundargopal","Chemistry of diruthenium analogue of pentaborane(9) with heterocumulenes: toward novel trimetallic cubane-type clusters.","Inorganic chemistry","2014","53","19","10527","10535","10.1021/ic501623f","","x-ray","0.71073","MoKα","","0.0563","0.0407","","","0.1009","0.1174","","","","","","1.088","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341148","8.6665","0.0011","17.252","0.002","18.468","0.002","90","","100.854","0.004","90","","2711.8","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 B Mn O3 Ru2 S2 -","- C24 H33 B Mn O3 Ru2 S2 -","- C96 H132 B4 Mn4 O12 Ru8 S8 -","4","1","","Anju, R. S.; Saha, Koushik; Mondal, Bijan; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-Francois; Ghosh, Sundargopal","Chemistry of diruthenium analogue of pentaborane(9) with heterocumulenes: toward novel trimetallic cubane-type clusters.","Inorganic chemistry","2014","53","19","10527","10535","10.1021/ic501623f","","","0.71073","MoKα","","0.1001","0.0574","","","0.1349","0.162","","","","","","1.016","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341149","11.726","0.0008","13.8766","0.0007","18.0847","0.0011","90","","90","","90","","2942.7","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 B3 Mn O3 Ru2 S2 -","- C24 H38 B3 Mn O3 Ru2 S2 -","- C96 H152 B12 Mn4 O12 Ru8 S8 -","4","1","","Anju, R. S.; Saha, Koushik; Mondal, Bijan; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-Francois; Ghosh, Sundargopal","Chemistry of diruthenium analogue of pentaborane(9) with heterocumulenes: toward novel trimetallic cubane-type clusters.","Inorganic chemistry","2014","53","19","10527","10535","10.1021/ic501623f","","x-ray","0.71073","MoKα","","0.0217","0.0204","","","0.043","0.0435","","","","","","1.017","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341150","11.1094","0.0004","13.4574","0.0004","16.8649","0.0006","90","","103.093","0.001","90","","2455.82","0.14","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Fe2 O8 Ru S2 -","- C19 H18 Fe2 O8 Ru S2 -","- C76 H72 Fe8 O32 Ru4 S8 -","4","1","","Anju, R. S.; Saha, Koushik; Mondal, Bijan; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-Francois; Ghosh, Sundargopal","Chemistry of diruthenium analogue of pentaborane(9) with heterocumulenes: toward novel trimetallic cubane-type clusters.","Inorganic chemistry","2014","53","19","10527","10535","10.1021/ic501623f","","x-ray","0.71073","MoKα","","0.0313","0.0234","","","0.0503","0.0534","","","","","","1.034","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341151","11.288","0.0004","13.4733","0.0005","14.2504","0.0005","78.851","0.002","80.369","0.002","71.156","0.002","1999.55","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H40 B3 Fe2 O7 Ru2 S2 -","- C31 H40 B3 Fe2 O7 Ru2 S2 -","- C62 H80 B6 Fe4 O14 Ru4 S4 -","2","1","","Anju, R. S.; Saha, Koushik; Mondal, Bijan; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-Francois; Ghosh, Sundargopal","Chemistry of diruthenium analogue of pentaborane(9) with heterocumulenes: toward novel trimetallic cubane-type clusters.","Inorganic chemistry","2014","53","19","10527","10535","10.1021/ic501623f","","","0.71073","MoKα","","0.0915","0.0339","","","0.091","0.1048","","","","","","1.04","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341152","9.7443","0.0002","9.2221","0.0002","30.2214","0.0009","90","","96.694","0.002","90","","2697.27","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Fe3 O11 Ru S -","- C21 H16 Fe3 O11 Ru S -","- C84 H64 Fe12 O44 Ru4 S4 -","4","1","","Anju, R. S.; Saha, Koushik; Mondal, Bijan; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-Francois; Ghosh, Sundargopal","Chemistry of diruthenium analogue of pentaborane(9) with heterocumulenes: toward novel trimetallic cubane-type clusters.","Inorganic chemistry","2014","53","19","10527","10535","10.1021/ic501623f","","","0.71073","MoKα","","0.0286","0.0255","","","0.0616","0.0637","","","","","","1.049","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341153","13.2322","0.0009","15.2695","0.001","15.875","0.001","70.027","0.002","68.822","0.002","89.43","0.002","2787.4","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H44 Cl2 F12 N10 O4.5 P2 Ru2 -","- C48 H44 Cl2 F12 N10 O4.5 P2 Ru2 -","- C96 H88 Cl4 F24 N20 O9 P4 Ru4 -","2","1","","Francàs, Laia; González-Gil, Rosa María; Moyano, Daniel; Benet-Buchholz, Jordi; García-Antón, Jordi; Escriche, Lluís; Llobet, Antoni; Sala, Xavier","Dinuclear ruthenium complexes containing the hpbl ligand: synthesis, characterization, linkage isomerism, and epoxidation catalysis.","Inorganic chemistry","2014","53","19","10394","10402","10.1021/ic501483s","","","0.71073","MoKα","","0.0873","0.0568","","","0.1537","0.1796","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341154","12.5295","0.0006","14.6459","0.0007","18.2104","0.0009","107.284","0.002","109.045","0.002","96.36","0.002","2935.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H54 Cl2 F12 N10 O4.5 P2 Ru2 -","- C54 H54 Cl2 F12 N10 O4.5 P2 Ru2 -","- C108 H108 Cl4 F24 N20 O9 P4 Ru4 -","2","1","","Francàs, Laia; González-Gil, Rosa María; Moyano, Daniel; Benet-Buchholz, Jordi; García-Antón, Jordi; Escriche, Lluís; Llobet, Antoni; Sala, Xavier","Dinuclear ruthenium complexes containing the hpbl ligand: synthesis, characterization, linkage isomerism, and epoxidation catalysis.","Inorganic chemistry","2014","53","19","10394","10402","10.1021/ic501483s","","","0.71073","MoKα","","0.0758","0.0415","","","0.098","0.1186","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341157","38.591","0.0008","38.591","0.0008","38.591","0.0008","90","","90","","90","","57472","2","263","2","263.15","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C66 H36 N2 O41 Zn7 -","- C66 H36 N2 O41 Zn7 -","- C1056 H576 N32 O656 Zn112 -","16","0.0833333","","Yang, Jie; Wang, Xiaoqing; Dai, Fangna; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Improving the Porosity and Catalytic Capacity of a Zinc Paddlewheel Metal-Organic Framework (MOF) through Metal-Ion Metathesis in a Single-Crystal-to-Single-Crystal Fashion.","Inorganic chemistry","2014","53","19","10649","10653","10.1021/ic5017092","","","1.54178","CuKα","","0.1048","0.076","","","0.2391","0.2614","","","","","","1.033","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341158","38.6049","0.0007","38.6049","0.0007","38.6049","0.0007","90","","90","","90","","57534.4","1.8","150","10","150","10","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C66 H58 Cu7 O35 -","- C66 H57.96 Cu7 O35 -","- C1056 H927.36 Cu112 O560 -","16","0.0833333","","Yang, Jie; Wang, Xiaoqing; Dai, Fangna; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Improving the Porosity and Catalytic Capacity of a Zinc Paddlewheel Metal-Organic Framework (MOF) through Metal-Ion Metathesis in a Single-Crystal-to-Single-Crystal Fashion.","Inorganic chemistry","2014","53","19","10649","10653","10.1021/ic5017092","","","0.71","MoKα","","0.1753","0.1269","","","0.3916","0.4392","","","","","","1.002","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341159","8.575","0.006","9.035","0.006","11.884","0.008","80.181","0.011","84.102","0.012","66.769","0.009","833","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cl2 Co N14 -","- C34 H26 Cl2 Co N14 -","- C34 H26 Cl2 Co N14 -","1","0.5","","Wang, Jian-Cheng; Liu, Qi-Kui; Ma, Jian-Ping; Huang, Fang; Dong, Yu-Bin","Visual Synchronous Exchange of Metal Nodes and Counteranions Constituting a Cobalt(II) Coordination Polymer.","Inorganic chemistry","2014","53","20","10791","10793","10.1021/ic5013186","","","0.71073","MoKα","","0.1345","0.0851","","","0.183","0.1989","","","","","","1.087","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341160","12.769","0.008","9.611","0.006","8.39","0.005","90","","90","","90","","1029.6","1.1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- B6 Br Na2 O10 Rb -","- B6 Br Na2 O10 Rb -","- B24 Br4 Na8 O40 Rb4 -","4","0.5","","Bai, Chunyan; Yu, Hongwei; Han, Shujuan; Pan, Shilie; Zhang, Bingbing; Wang, Ying; Wu, Hongping; Yang, Zhihua","Effect of halogen (cl, br) on the symmetry of flexible perovskite-related framework.","Inorganic chemistry","2014","53","20","11213","11220","10.1021/ic501814q","","","0.71073","MoKα","","0.0778","0.0478","","","0.1143","0.1282","","","","","","1.107","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341161","8.3251","0.0003","9.6543","0.0003","12.7544","0.0004","90","","90","","90","","1025.11","0.06","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- B6 Cl Na2 O10 Rb -","- B6 Cl Na2 O10 Rb -","- B24 Cl4 Na8 O40 Rb4 -","4","1","","Bai, Chunyan; Yu, Hongwei; Han, Shujuan; Pan, Shilie; Zhang, Bingbing; Wang, Ying; Wu, Hongping; Yang, Zhihua","Effect of halogen (cl, br) on the symmetry of flexible perovskite-related framework.","Inorganic chemistry","2014","53","20","11213","11220","10.1021/ic501814q","","","0.71073","MoKα","","0.0327","0.0286","","","0.068","0.0698","","","","","","1.065","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341162","7.437","0.008","9.938","0.011","12.804","0.014","90","","90","","90","","946.3","1.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- B6 Cl Na3 O10 -","- B6 Cl Na3 O10 -","- B24 Cl4 Na12 O40 -","4","1","","Bai, Chunyan; Yu, Hongwei; Han, Shujuan; Pan, Shilie; Zhang, Bingbing; Wang, Ying; Wu, Hongping; Yang, Zhihua","Effect of halogen (cl, br) on the symmetry of flexible perovskite-related framework.","Inorganic chemistry","2014","53","20","11213","11220","10.1021/ic501814q","","","0.71073","MoKα","","0.0481","0.0386","","","0.0917","0.0975","","","","","","1.059","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341163","13.467","0.003","17.045","0.004","16.692","0.004","90","","105.427","0.01","90","","3693.5","1.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 F18 Gd N3 O7 -","- C29 H19 F18 Gd N3 O7 -","- C116 H76 F72 Gd4 N12 O28 -","4","1","","Kanetomo, Takuya; Ishida, Takayuki","Strongest Exchange Coupling in Gadolinium(III) and Nitroxide Coordination Compounds.","Inorganic chemistry","2014","53","20","10794","10796","10.1021/ic501496a","","","0.71073","MoKα","","","0.0463","","","","0.0482","","","","","","1.148","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341164","13.328","0.004","10.822","0.003","23.586","0.007","90","","98.947","0.007","90","","3360.5","1.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Br Cl3 F6 N4 P Pd -","- C26 H27 Br Cl3 F6 N4 P Pd -","- C104 H108 Br4 Cl12 F24 N16 P4 Pd4 -","4","1","","Teng, Qiaoqiao; Huynh, Han Vinh","Determining the electron-donating properties of bidentate ligands by (13)c NMR spectroscopy.","Inorganic chemistry","2014","53","20","10964","10973","10.1021/ic501325j","","","0.71073","MoKα","","0.0853","0.0693","","","0.1977","0.2106","","","","","","1.045","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341165","13.0939","0.0006","13.0939","0.0006","34.369","0.003","90","","90","","120","","5103.1","0.6","100","2","100","2","","","","","","","","8","P 65","P 65","170","","","","- C31 H38.5 Br F6 N4 O2.33 P Pd -","- C31 H38 Br F6 N4 O2.25 P Pd -","- C186 H228 Br6 F36 N24 O13.5 P6 Pd6 -","6","1","","Teng, Qiaoqiao; Huynh, Han Vinh","Determining the electron-donating properties of bidentate ligands by (13)c NMR spectroscopy.","Inorganic chemistry","2014","53","20","10964","10973","10.1021/ic501325j","","","0.71073","MoKα","","0.039","0.032","","","0.0652","0.0681","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341166","18.5875","0.0012","9.1218","0.0006","17.7695","0.0011","90","","116.257","0.0009","90","","2702","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Br F6 N8 O0.25 P Pd -","- C20 H28 Br F6 N8 O0.15 P Pd -","- C80 H112 Br4 F24 N32 O0.6 P4 Pd4 -","4","1","","Teng, Qiaoqiao; Huynh, Han Vinh","Determining the electron-donating properties of bidentate ligands by (13)c NMR spectroscopy.","Inorganic chemistry","2014","53","20","10964","10973","10.1021/ic501325j","","","0.71073","MoKα","","0.0272","0.0244","","","0.0585","0.0595","","","","","","1.036","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341167","13.372","0.012","14.825","0.013","16.378","0.015","112.263","0.017","99.074","0.018","98.184","0.018","2894","5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H62 Br2 Cl2 F12 N12 P2 Pd2 -","- C45 H62 Br2 Cl2 F12 N12 P2 Pd2 -","- C90 H124 Br4 Cl4 F24 N24 P4 Pd4 -","2","1","","Teng, Qiaoqiao; Huynh, Han Vinh","Determining the electron-donating properties of bidentate ligands by (13)c NMR spectroscopy.","Inorganic chemistry","2014","53","20","10964","10973","10.1021/ic501325j","","","0.71073","MoKα","","0.0566","0.0449","","","0.118","0.124","","","","","","1.065","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341168","9.0847","0.0006","11.6841","0.0008","18.3327","0.0012","95.009","0.001","98.171","0.0009","92.644","0.0009","1915.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H43 Br F6 N7 P Pd -","- C37 H43 Br F6 N7 P Pd -","- C74 H86 Br2 F12 N14 P2 Pd2 -","2","1","","Teng, Qiaoqiao; Huynh, Han Vinh","Determining the electron-donating properties of bidentate ligands by (13)c NMR spectroscopy.","Inorganic chemistry","2014","53","20","10964","10973","10.1021/ic501325j","","","0.71073","MoKα","","0.0362","0.0328","","","0.0887","0.0905","","","","","","1.075","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341169","9.6249","0.001","11.6858","0.0012","18.6008","0.0018","94.511","0.0016","102.325","0.0016","99.638","0.0017","2000.8","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H43 Br Cl3 F6 N6 P Pd -","- C37 H43 Br Cl3 F6 N6 P Pd -","- C74 H86 Br2 Cl6 F12 N12 P2 Pd2 -","2","1","","Teng, Qiaoqiao; Huynh, Han Vinh","Determining the electron-donating properties of bidentate ligands by (13)c NMR spectroscopy.","Inorganic chemistry","2014","53","20","10964","10973","10.1021/ic501325j","","","0.71073","MoKα","","0.0625","0.0466","","","0.1072","0.119","","","","","","1.076","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341170","8.5313","0.0005","18.2138","0.0011","32.4597","0.0019","90","","91.965","0.001","90","","5040.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H60 Br4 N8 Pd2 -","- C49 H60 Br4 N8 Pd2 -","- C196 H240 Br16 N32 Pd8 -","4","1","","Teng, Qiaoqiao; Huynh, Han Vinh","Determining the electron-donating properties of bidentate ligands by (13)c NMR spectroscopy.","Inorganic chemistry","2014","53","20","10964","10973","10.1021/ic501325j","","","0.71073","MoKα","","0.0487","0.038","","","0.0879","0.0919","","","","","","1.053","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341171","16.7467","0.0002","16.7467","0.0002","16.7467","0.0002","90","","90","","90","","4696.64","0.1","295","","295","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- As23 Cu44 Sr7 -","- As23 Cu44 Sr7 -","- As92 Cu176 Sr28 -","4","0.0208333","","Charkin, Dmitri O.; Demchyna, Roman; Prots, Yurii; Borrmann, Horst; Burkhardt, Ulrich; Schwarz, Ulrich; Schnelle, Walter; Plokhikh, Igor V.; Kazakov, Sergey M.; Abakumov, Artem M.; Batuk, Dmitry; Verchenko, Valery Yu; Tsirlin, Alexander A.; Curfs, Caroline; Grin, Yuri; Shevelkov, Andrei V.","Two New Arsenides, Eu7Cu44As23 and Sr7Cu44As23, With a New Filled Variety of the BaHg11 Structure.","Inorganic chemistry","2014","53","20","11173","11184","10.1021/ic5017615","powder diffraction","","0.39996","Synchrotron","","","","","","","","","0.025","1.85","","","","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341172","16.6707","0.0002","16.6707","0.0002","16.6707","0.0002","90","","90","","90","","4632.99","0.1","295","2","295.15","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- As23 Cu44 Eu7 -","- As23 Cu44 Eu7 -","- As92 Cu176 Eu28 -","4","0.0208333","","Charkin, Dmitri O.; Demchyna, Roman; Prots, Yurii; Borrmann, Horst; Burkhardt, Ulrich; Schwarz, Ulrich; Schnelle, Walter; Plokhikh, Igor V.; Kazakov, Sergey M.; Abakumov, Artem M.; Batuk, Dmitry; Verchenko, Valery Yu; Tsirlin, Alexander A.; Curfs, Caroline; Grin, Yuri; Shevelkov, Andrei V.","Two New Arsenides, Eu7Cu44As23 and Sr7Cu44As23, With a New Filled Variety of the BaHg11 Structure.","Inorganic chemistry","2014","53","20","11173","11184","10.1021/ic5017615","","","0.56085","AgKα","","0.016","0.013","","","0.024","0.024","","","","","","1.119","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341173","16.6767","0.0005","16.6767","0.0005","16.6767","0.0005","90","","90","","90","","4638","0.2","295","2","295.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- As23 Cu44 Eu5.74 Sr1.26 -","- As23 Cu44 Eu5.745 Sr1.255 -","- As92 Cu176 Eu22.98 Sr5.02 -","4","0.0208333","","Charkin, Dmitri O.; Demchyna, Roman; Prots, Yurii; Borrmann, Horst; Burkhardt, Ulrich; Schwarz, Ulrich; Schnelle, Walter; Plokhikh, Igor V.; Kazakov, Sergey M.; Abakumov, Artem M.; Batuk, Dmitry; Verchenko, Valery Yu; Tsirlin, Alexander A.; Curfs, Caroline; Grin, Yuri; Shevelkov, Andrei V.","Two New Arsenides, Eu7Cu44As23 and Sr7Cu44As23, With a New Filled Variety of the BaHg11 Structure.","Inorganic chemistry","2014","53","20","11173","11184","10.1021/ic5017615","","","0.710747","MoKα","","0.043","0.039","","","0.074","0.074","","","","","","1.41","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341174","10.50087","0.00039","10.50087","0.00039","37.6282","0.0016","90","","90","","120","","3593.3","0.2","300","","300","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca1.25 O4 P Sr0.25 -","- Ca1.25029 O4 P Sr0.249714 -","- Ca52.512 O168 P42 Sr10.488 -","42","2.33333","","Ji, Haipeng; Huang, Zhaohui; Xia, Zhiguo; Molokeev, Maxim S.; Atuchin, Victor V.; Huang, Saifang","Cation Substitution Dependent Bimodal Photoluminescence in Whitlockite Structural Ca3-xSrx(PO4)2:Eu(2+) (0 ≤ x ≤ 2) Solid Solution Phosphors.","Inorganic chemistry","2014","53","20","11119","11124","10.1021/ic501679f","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.64","1.743","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4341175","10.44817","0.00027","10.44817","0.00027","37.4086","0.0011","90","","90","","120","","3536.57","0.17","300","","300","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca1.45 O4 P Sr0.05 -","- Ca1.45006 O4 P Sr0.0499429 -","- Ca60.9024 O168 P42 Sr2.0976 -","42","2.33333","","Ji, Haipeng; Huang, Zhaohui; Xia, Zhiguo; Molokeev, Maxim S.; Atuchin, Victor V.; Huang, Saifang","Cation Substitution Dependent Bimodal Photoluminescence in Whitlockite Structural Ca3-xSrx(PO4)2:Eu(2+) (0 ≤ x ≤ 2) Solid Solution Phosphors.","Inorganic chemistry","2014","53","20","11119","11124","10.1021/ic501679f","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.66","1.689","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4341176","10.47574","0.00041","10.47574","0.00041","37.4923","0.0015","90","","90","","120","","3563.2","0.2","300","","300","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca62.13 O168 P42 Sr6.27 -","- Ca62.1072 O168 P42 Sr6.2928 -","- Ca62.1072 O168 P42 Sr6.2928 -","1","0.0555556","","Ji, Haipeng; Huang, Zhaohui; Xia, Zhiguo; Molokeev, Maxim S.; Atuchin, Victor V.; Huang, Saifang","Cation Substitution Dependent Bimodal Photoluminescence in Whitlockite Structural Ca3-xSrx(PO4)2:Eu(2+) (0 ≤ x ≤ 2) Solid Solution Phosphors.","Inorganic chemistry","2014","53","20","11119","11124","10.1021/ic501679f","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.08","1.83","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4341177","4.09819","0.00009","4.09819","0.00009","19.77545","0.00063","90","","90","","90","","332.132","0.015","300","","300","","","","","","","","","5","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Bi La O Pb S3 -","- Bi La O Pb S3 -","- Bi2 La2 O2 Pb2 S6 -","2","0.125","","Sun, Yun-Lei; Ablimit, Abduweli; Zhai, Hui-Fei; Bao, Jin-Ke; Tang, Zhang-Tu; Wang, Xin-Bo; Wang, Nan-Lin; Feng, Chun-Mu; Cao, Guang-Han","Design and Synthesis of a New Layered Thermoelectric Material LaPbBiS3O.","Inorganic chemistry","2014","53","20","11125","11129","10.1021/ic501687h","powder diffraction","","1.54056","X-rays","","","","","0.0686","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341178","10.2046","0.0008","15.402","0.0012","20.5009","0.0016","90","","90","","90","","3222.2","0.4","123","","123","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C40 H37 N3 O4 -","- C40 H37 N3 O4 -","- C160 H148 N12 O16 -","4","0.5","","Bonn, Annabell G.; Neuburger, Markus; Wenger, Oliver S.","Photoinduced electron transfer in rhenium(i)-oligotriarylamine molecules.","Inorganic chemistry","2014","53","20","11075","11085","10.1021/ic501620g","","","1.54178","CuKα","","0.0349","0.0349","","0.0384","0.0383","0.0383","","","","","","1.0472","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341179","18.9328","0.0005","7.12915","0.00016","16.7656","0.0004","90","","94.008","0.002","90","","2257.4","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Au Cl O2 P -","- C19 H15 Au Cl O2 P -","- C76 H60 Au4 Cl4 O8 P4 -","4","1","","Miguel-Coello, Ana B; Bardají, Manuel; Coco, Silverio; Donnio, Bertrand; Heinrich, Benoît; Espinet, Pablo","H-bonded adducts of [2,4,6-{(C10H21O)3C6H2NH}3C3N3] with [LnM{PPh2(C6H4CO2H)}] displaying Columnar Mesophases at Room Temperature.","Inorganic chemistry","2014","53","20","10893","10902","10.1021/ic501039n","","","0.71073","MoKα","","0.0686","0.0447","","","0.1296","0.1421","","","","","","1.115","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341180","14.4299","0.0002","15.2743","0.0003","18.6396","0.0004","90","","98.8129","0.0019","90","","4059.79","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H15 Au F15 O4 P -","- C41 H15 Au F15 O4 P -","- C164 H60 Au4 F60 O16 P4 -","4","1","","Miguel-Coello, Ana B; Bardají, Manuel; Coco, Silverio; Donnio, Bertrand; Heinrich, Benoît; Espinet, Pablo","H-bonded adducts of [2,4,6-{(C10H21O)3C6H2NH}3C3N3] with [LnM{PPh2(C6H4CO2H)}] displaying Columnar Mesophases at Room Temperature.","Inorganic chemistry","2014","53","20","10893","10902","10.1021/ic501039n","","","1.54184","CuKα","","0.0781","0.0457","","","0.1198","0.1397","","","","","","1.021","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341181","9.854","0.0008","10.4075","0.0004","19.2765","0.0017","92.533","0.005","99.2","0.007","93.152","0.005","1945.7","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H16 Au Cl3 F15 O2 P -","- C38 H16 Au Cl3 F15 O2 P -","- C76 H32 Au2 Cl6 F30 O4 P2 -","2","1","","Miguel-Coello, Ana B; Bardají, Manuel; Coco, Silverio; Donnio, Bertrand; Heinrich, Benoît; Espinet, Pablo","H-bonded adducts of [2,4,6-{(C10H21O)3C6H2NH}3C3N3] with [LnM{PPh2(C6H4CO2H)}] displaying Columnar Mesophases at Room Temperature.","Inorganic chemistry","2014","53","20","10893","10902","10.1021/ic501039n","","","0.71073","MoKα","","0.0504","0.0391","","","0.0869","0.0937","","","","","","1.041","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341182","10.9729","0.0005","14.6769","0.0007","15.7818","0.0008","78.135","0.004","74.224","0.004","88.521","0.004","2392.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H15 Cr O7 P -","- C25.5 H15 Cr O7 P -","- C102 H60 Cr4 O28 P4 -","4","2","","Miguel-Coello, Ana B; Bardají, Manuel; Coco, Silverio; Donnio, Bertrand; Heinrich, Benoît; Espinet, Pablo","H-bonded adducts of [2,4,6-{(C10H21O)3C6H2NH}3C3N3] with [LnM{PPh2(C6H4CO2H)}] displaying Columnar Mesophases at Room Temperature.","Inorganic chemistry","2014","53","20","10893","10902","10.1021/ic501039n","","","1.54184","CuKα","","0.0595","0.0409","","","0.107","0.1215","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341183","12.1488","0.0004","14.8985","0.0005","19.1681","0.0014","72.763","0.005","71.762","0.005","70.043","0.005","3026.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H61 F24 N13 P4 -","- C50 H61 F24 N13 P4 -","- C100 H122 F48 N26 P8 -","2","1","","Ghimire, Srijana; Fanwick, Phillip E.; McMillin, David R.","DNA-Binding Studies of a Tetraalkyl-Substituted Porphyrin and the Mutually Adaptive Distortion Principle.","Inorganic chemistry","2014","53","20","11108","11118","10.1021/ic501683t","","","1.54178","CuKα","","0.0842","0.0714","","","0.2015","0.218","","","","","","1.138","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341184","18.1962","0.0017","28.429","0.003","34.905","0.003","90","","90","","90","","18056","3","180","2","180","2","","","","","","","","8","F m m m","-F 2 2","69","","","","- C48 H40 Co4 K N16 O119 P5 W30 -","- C48 H40 Co4 K N16 O119 P5 W30 -","- C192 H160 Co16 K4 N64 O476 P20 W120 -","4","0.125","","Zhao, Ya-Qin; Yu, Kai; Wang, Li-Wei; Wang, Ying; Wang, Xing-Po; Sun, Di","Anion-Induced Supramolecular Isomerism in Two Preyssler P5W30 Polyoxometalate-Based Hybrid Materials.","Inorganic chemistry","2014","53","20","11046","11050","10.1021/ic501567s","","","0.71073","MoKα","","0.0858","0.065","","","0.1586","0.166","","","","","","1.069","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341185","18.9064","0.0012","20.9843","0.0013","23.4284","0.0016","90","","90","","90","","9294.9","1","298","2","298","2","","","","","","","","8","I m m m","-I 2 2","71","","","","- C48 H40 Co4 K N16 O119 P5 W30 -","- C48 H40 Co4 K N16 O119 P5 W30 -","- C96 H80 Co8 K2 N32 O238 P10 W60 -","2","0.125","","Zhao, Ya-Qin; Yu, Kai; Wang, Li-Wei; Wang, Ying; Wang, Xing-Po; Sun, Di","Anion-Induced Supramolecular Isomerism in Two Preyssler P5W30 Polyoxometalate-Based Hybrid Materials.","Inorganic chemistry","2014","53","20","11046","11050","10.1021/ic501567s","","","0.71073","MoKα","","0.0618","0.0468","","","0.1335","0.1436","","","","","","1.043","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341186","32.4022","0.0001","61.6353","0.0003","18.6713","0.0002","90","","90","","90","","37288.8","0.5","243","2","243","2","","","","","","","","7","F d d 2","F 2 -2d","43","","[Cu2(Neocuproine)2(o-MeO-dppcb)](PF6)2","","- C88 H84 Cu2 F12 N4 O8 P6 -","- C88 H84 Cu2 F12 N4 O8 P6 -","- C1408 H1344 Cu32 F192 N64 O128 P96 -","16","1","","Bizzarri, Claudia; Strabler, Christof; Prock, Johannes; Trettenbrein, Barbara; Ruggenthaler, Martin; Yang, Cheng-Han; Polo, Federico; Iordache, Adriana; Brüggeller, Peter; Cola, Luisa De","Luminescent dinuclear cu(i) complexes containing rigid tetraphosphine ligands.","Inorganic chemistry","2014","53","20","10944","10951","10.1021/ic5012204","","","0.71073","MoKα","","0.0576","0.048","","","0.1348","0.1576","","","","","","0.981","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341187","5.22","0.003","5.22","0.003","5.705","0.005","90","","90","","120","","134.63","0.16","100","2","100","2","","","","","","","","4","P -3 1 m","-P 3 2","162","Sodium Nickel Bismuth","","","- Bi Na Ni2 O5.66 -","- Bi0.999 Na Ni2 O5.64 -","- Bi0.999 Na Ni2 O5.64 -","1","0.0833333","","Seibel, Elizabeth M.; Roudebush, John H.; Ali, Mazhar N.; Ross, K. A.; Cava, R. J.","Structure and Magnetic Properties of the Spin-1/2-Based Honeycomb NaNi2BiO6-δ and Its Hydrate NaNi2BiO6-δ·1.7H2O.","Inorganic chemistry","2014","53","20","10989","10995","10.1021/ic501390r","","","0.71073","MoKα","","0.0229","0.0229","","0.0505","","0.0503","","","1.108","","","1.108","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341188","8.796","0.003","9.262","0.003","10.669","0.004","74.34","0.02","69.36","0.02","83.75","0.02","783.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Co F6 N6 O2 -","- C30 H30 Co F6 N6 O2 -","- C30 H30 Co F6 N6 O2 -","1","0.5","","Büyükyazi, Mehtap; Hegemann, Corinna; Lehnen, Thomas; Tyrra, Wieland; Mathur, Sanjay","Molecular Co(II) and Co(III) Heteroarylalkenolates as Efficient Precursors for Chemical Vapor Deposition of Co3O4 Nanowires.","Inorganic chemistry","2014","53","20","10928","10936","10.1021/ic501157e","","","0.71073","MoKα","","0.1086","0.0408","","","0.073","0.0851","","","","","","0.725","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341189","8.7713","0.0011","13.9009","0.0013","21.119","0.004","90","","105.115","0.015","90","","2485.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Co F9 N3 O3 -","- C24 H15 Co F9 N3 O3 -","- C96 H60 Co4 F36 N12 O12 -","4","1","","Büyükyazi, Mehtap; Hegemann, Corinna; Lehnen, Thomas; Tyrra, Wieland; Mathur, Sanjay","Molecular Co(II) and Co(III) Heteroarylalkenolates as Efficient Precursors for Chemical Vapor Deposition of Co3O4 Nanowires.","Inorganic chemistry","2014","53","20","10928","10936","10.1021/ic501157e","","","0.71073","MoKα","","0.0786","0.0474","","","0.1199","0.1318","","","","","","0.941","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341190","13.7068","0.0005","14.0495","0.0005","13.9218","0.0005","90","","90","","90","","2680.97","0.17","300","2","300","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C40 H24 Ag2 B4 Co2 F16 N20 O8 -","- C40 H24 Ag2 B4 Co2 F16 N20 O8 -","- C80 H48 Ag4 B8 Co4 F32 N40 O16 -","2","0.125","","Cowan, Matthew G.; Miller, Reece G.; Southon, Peter D.; Price, Jason R.; Yazaydin, Ozgur; Lane, Joseph R.; Kepert, Cameron J.; Brooker, Sally","Selective Gas Adsorption in a Pair of Robust Isostructural MOFs Differing in Framework Charge and Anion Loading","Inorganic Chemistry","2014","","","141002075607002","","10.1021/ic501876m","","","0.71073","MoKα","","0.0459","0.0396","","","0.1156","0.1377","","","","","","1.161","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341191","13.6516","0.0002","13.985","0.0001","13.7572","0.0001","90","","90","","90","","2626.49","0.05","100","2","100","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C20 H12 Ag B2 Co F8 N10 O4 -","- C20 H12 Ag B2 Co F8 N10 O4 -","- C80 H48 Ag4 B8 Co4 F32 N40 O16 -","4","0.25","","Cowan, Matthew G.; Miller, Reece G.; Southon, Peter D.; Price, Jason R.; Yazaydin, Ozgur; Lane, Joseph R.; Kepert, Cameron J.; Brooker, Sally","Selective Gas Adsorption in a Pair of Robust Isostructural MOFs Differing in Framework Charge and Anion Loading","Inorganic Chemistry","2014","","","141002075607002","","10.1021/ic501876m","","","0.71073","MoKα","","0.0526","0.0453","","","0.1208","0.1283","","","","","","1.088","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341192","13.708","0.003","14.079","0.002","13.798","0.003","90","","90","","90","","2662.9","0.9","90","2","90","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C20 H16 Ag B2 Co F8 N10 O6 -","- C20 H16 Ag B2 Co F8 N10 O6 -","- C80 H64 Ag4 B8 Co4 F32 N40 O24 -","4","0.25","","Cowan, Matthew G.; Miller, Reece G.; Southon, Peter D.; Price, Jason R.; Yazaydin, Ozgur; Lane, Joseph R.; Kepert, Cameron J.; Brooker, Sally","Selective Gas Adsorption in a Pair of Robust Isostructural MOFs Differing in Framework Charge and Anion Loading","Inorganic Chemistry","2014","","","141002075607002","","10.1021/ic501876m","","","0.71073","MoKα","","0.0415","0.0371","","","0.1034","0.1075","","","","","","1.085","","","","has coordinates,has disorder","179514","2020-10-21","18:00:00",""
"4341193","14.014","0.0014","14.4385","0.0014","13.676","0.0014","90","","90","","90","","2767.2","0.5","89","2","89","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C21.5 H15 Ag B F4 N10 Ni O4.5 -","- C21.5 H15 Ag B F4 N10 Ni O4.5 -","- C86 H60 Ag4 B4 F16 N40 Ni4 O18 -","4","0.25","","Cowan, Matthew G.; Miller, Reece G.; Southon, Peter D.; Price, Jason R.; Yazaydin, Ozgur; Lane, Joseph R.; Kepert, Cameron J.; Brooker, Sally","Selective Gas Adsorption in a Pair of Robust Isostructural MOFs Differing in Framework Charge and Anion Loading","Inorganic Chemistry","2014","","","141002075607002","","10.1021/ic501876m","","","0.71073","MoKα","","0.0823","0.0526","","","0.1431","0.1613","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341194","13.7009","0.0006","14.0524","0.0005","13.9539","0.0006","90","","90","","90","","2686.55","0.19","373","2","373","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C20 H12 Ag B2 Co F8 N10 O4 -","- C20 H12 Ag B2 Co F8 N10 O4 -","- C80 H48 Ag4 B8 Co4 F32 N40 O16 -","4","0.25","","Cowan, Matthew G.; Miller, Reece G.; Southon, Peter D.; Price, Jason R.; Yazaydin, Ozgur; Lane, Joseph R.; Kepert, Cameron J.; Brooker, Sally","Selective Gas Adsorption in a Pair of Robust Isostructural MOFs Differing in Framework Charge and Anion Loading","Inorganic Chemistry","2014","","","141002075607002","","10.1021/ic501876m","","","0.71073","MoKα","","0.0524","0.0453","","","0.1368","0.1529","","","","","","1.072","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341195","7.0425","0.0003","12.3268","0.0004","18.2185","0.0005","90","","90","","90","","1581.58","0.1","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","Sodium Thorium Arsenate","","","- As2 Na2 O8 Th -","- As2 Na2 O8 Th -","- As16 Na16 O64 Th8 -","8","0.25","","Yu, Na; Klepov, Vladislav V.; Modolo, Giuseppe; Bosbach, Dirk; Suleimanov, Evgeny V.; Gesing, Thorsten M.; Robben, Lars; Alekseev, Evgeny V.","Morphotropy and Temperature-Driven Polymorphism in A2Th(AsO4)2 (A = Li, Na, K, Rb, Cs) Series.","Inorganic chemistry","2014","53","20","11231","11241","10.1021/ic5018246","","","0.71073","MoKα","","0.0185","0.0144","","","0.0264","0.0273","","","","","","1.071","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341196","7.3205","0.0005","7.3205","0.0005","18.6231","0.0016","90","","90","","90","","998.01","0.13","293","2","293","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","Cesium Thorium Arsenate","","","- As2 Cs2 O8 Th -","- As2 Cs2 O8 Th -","- As8 Cs8 O32 Th4 -","4","0.125","","Yu, Na; Klepov, Vladislav V.; Modolo, Giuseppe; Bosbach, Dirk; Suleimanov, Evgeny V.; Gesing, Thorsten M.; Robben, Lars; Alekseev, Evgeny V.","Morphotropy and Temperature-Driven Polymorphism in A2Th(AsO4)2 (A = Li, Na, K, Rb, Cs) Series.","Inorganic chemistry","2014","53","20","11231","11241","10.1021/ic5018246","","","0.71073","MoKα","","0.0441","0.0384","","","0.1089","0.1117","","","","","","1.236","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341197","8.038","0.0008","11.451","0.0009","9.6692","0.001","90","","111.137","0.012","90","","830.11","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Rubidium Thorium Arsenate","","","- As2 O8 Rb2 Th -","- As2 O8 Rb2 Th -","- As8 O32 Rb8 Th4 -","4","1","","Yu, Na; Klepov, Vladislav V.; Modolo, Giuseppe; Bosbach, Dirk; Suleimanov, Evgeny V.; Gesing, Thorsten M.; Robben, Lars; Alekseev, Evgeny V.","Morphotropy and Temperature-Driven Polymorphism in A2Th(AsO4)2 (A = Li, Na, K, Rb, Cs) Series.","Inorganic chemistry","2014","53","20","11231","11241","10.1021/ic5018246","","","0.71073","MoKα","","0.0482","0.0346","","","0.0648","0.0709","","","","","","1.036","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341198","9.1841","0.0003","13.7468","0.0004","5.63541","0.00017","90","","106.503","0.003","90","","682.17","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- As2 Li2 O8 Th -","- As2 Li2 O8 Th -","- As8 Li8 O32 Th4 -","4","1","","Yu, Na; Klepov, Vladislav V.; Modolo, Giuseppe; Bosbach, Dirk; Suleimanov, Evgeny V.; Gesing, Thorsten M.; Robben, Lars; Alekseev, Evgeny V.","Morphotropy and Temperature-Driven Polymorphism in A2Th(AsO4)2 (A = Li, Na, K, Rb, Cs) Series.","Inorganic chemistry","2014","53","20","11231","11241","10.1021/ic5018246","","","0.71073","MoKα","","0.0438","0.0384","","","0.1054","0.1084","","","","","","1.144","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341199","7.7576","0.0003","11.3648","0.0003","9.4826","0.0004","90","","110.756","0.005","90","","781.76","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Potassium Thorium Arsenate","","","- As2 K2 O8 Th -","- As2 K2 O8 Th -","- As8 K8 O32 Th4 -","4","1","","Yu, Na; Klepov, Vladislav V.; Modolo, Giuseppe; Bosbach, Dirk; Suleimanov, Evgeny V.; Gesing, Thorsten M.; Robben, Lars; Alekseev, Evgeny V.","Morphotropy and Temperature-Driven Polymorphism in A2Th(AsO4)2 (A = Li, Na, K, Rb, Cs) Series.","Inorganic chemistry","2014","53","20","11231","11241","10.1021/ic5018246","","","0.71073","MoKα","","0.0361","0.0317","","","0.0921","0.0935","","","","","","1.075","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341203","11.7724","0.0006","14.6694","0.0008","40.006","0.002","90","","91.01","0.001","90","","6907.7","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H57 N5 Si3 V -","- C29 H57 N5 Si3 V -","- C232 H456 N40 Si24 V8 -","8","2","","Majumdar, Subhojit; Stauber, Julia M.; Palluccio, Taryn D.; Cai, Xiaochen; Velian, Alexandra; Rybak-Akimova, Elena V; Temprado, Manuel; Captain, Burjor; Cummins, Christopher C.; Hoff, Carl D.","Role of Axial Base Coordination in Isonitrile Binding and Chalcogen Atom Transfer to Vanadium(III) Complexes.","Inorganic chemistry","2014","","","141003140335004","","10.1021/ic5017005","","","0.71073","MoKα","","0.1147","0.0974","","","0.2735","0.2847","","","","","","1.08","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341204","9.6971","0.0006","16.2957","0.001","16.5852","0.001","66.341","0.001","89.977","0.002","79.48","0.002","2352.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H39 N4 O Si3 V -","- C15 H39 N4 O Si3 V -","- C60 H156 N16 O4 Si12 V4 -","4","2","","Majumdar, Subhojit; Stauber, Julia M.; Palluccio, Taryn D.; Cai, Xiaochen; Velian, Alexandra; Rybak-Akimova, Elena V; Temprado, Manuel; Captain, Burjor; Cummins, Christopher C.; Hoff, Carl D.","Role of Axial Base Coordination in Isonitrile Binding and Chalcogen Atom Transfer to Vanadium(III) Complexes.","Inorganic chemistry","2014","","","141003140335004","","10.1021/ic5017005","","","0.71073","MoKα","","0.0431","0.0374","","","0.094","0.0969","","","","","","1.128","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341205","10.7631","0.0017","23.699","0.004","18.853","0.003","90","","105.544","0.003","90","","4633","1.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H73 N4 V -","- C50.5 H73 N4 V -","- C202 H292 N16 V4 -","4","1","","Majumdar, Subhojit; Stauber, Julia M.; Palluccio, Taryn D.; Cai, Xiaochen; Velian, Alexandra; Rybak-Akimova, Elena V; Temprado, Manuel; Captain, Burjor; Cummins, Christopher C.; Hoff, Carl D.","Role of Axial Base Coordination in Isonitrile Binding and Chalcogen Atom Transfer to Vanadium(III) Complexes.","Inorganic chemistry","2014","","","141003140335004","","10.1021/ic5017005","","","0.71073","MoKα","","0.1585","0.0659","","","0.1254","0.1633","","","","","","1.002","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341206","9.0256","0.0009","16.1071","0.0015","16.6515","0.0016","90","","93.029","0.002","90","","2417.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H39 N4 Si3 V -","- C15 H39 N4 Si3 V -","- C60 H156 N16 Si12 V4 -","4","1","","Majumdar, Subhojit; Stauber, Julia M.; Palluccio, Taryn D.; Cai, Xiaochen; Velian, Alexandra; Rybak-Akimova, Elena V; Temprado, Manuel; Captain, Burjor; Cummins, Christopher C.; Hoff, Carl D.","Role of Axial Base Coordination in Isonitrile Binding and Chalcogen Atom Transfer to Vanadium(III) Complexes.","Inorganic chemistry","2014","","","141003140335004","","10.1021/ic5017005","","","0.71073","MoKα","","0.0475","0.0426","","","0.1176","0.1221","","","","","","1.043","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341207","17.0993","0.0019","9.605","0.0011","15.5131","0.0018","90","","109.67","0.002","90","","2399.2","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H39 N4 S Si3 V -","- C15 H39 N4 S Si3 V -","- C60 H156 N16 S4 Si12 V4 -","4","1","","Majumdar, Subhojit; Stauber, Julia M.; Palluccio, Taryn D.; Cai, Xiaochen; Velian, Alexandra; Rybak-Akimova, Elena V; Temprado, Manuel; Captain, Burjor; Cummins, Christopher C.; Hoff, Carl D.","Role of Axial Base Coordination in Isonitrile Binding and Chalcogen Atom Transfer to Vanadium(III) Complexes.","Inorganic chemistry","2014","","","141003140335004","","10.1021/ic5017005","","","0.71073","MoKα","","0.0182","0.0178","","","0.046","0.0463","","","","","","1.062","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341208","9.5948","0.0019","11.227","0.002","14.752","0.003","82.39","0.004","83.808","0.004","83.401","0.004","1557.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H19 Eu N4 O6 -","- C34 H19 Eu N4 O6 -","- C68 H38 Eu2 N8 O12 -","2","1","","Zhang, Sheng; Yang, Yang; Xia, Zheng-Qiang; Liu, Xiang-Yu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, San-Ping; Gao, Sheng-Li","Eu-MOFs with 2-(4-Carboxyphenyl)imidazo[4,5-f]-1,10-phenanthroline and Ditopic Carboxylates as Coligands: Synthesis, Structure, High Thermostability, and Luminescence Properties.","Inorganic chemistry","2014","53","20","10952","10963","10.1021/ic501253c","","","0.71073","MoKα","","0.1471","0.1014","","","0.2452","0.2849","","","","","","1.056","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341209","16.6588","0.0015","17.6541","0.0017","19.2806","0.0018","90","","90","","90","","5670.3","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H21 Eu N4 O8 -","- C32 H21 Eu N4 O8 -","- C256 H168 Eu8 N32 O64 -","8","1","","Zhang, Sheng; Yang, Yang; Xia, Zheng-Qiang; Liu, Xiang-Yu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, San-Ping; Gao, Sheng-Li","Eu-MOFs with 2-(4-Carboxyphenyl)imidazo[4,5-f]-1,10-phenanthroline and Ditopic Carboxylates as Coligands: Synthesis, Structure, High Thermostability, and Luminescence Properties.","Inorganic chemistry","2014","53","20","10952","10963","10.1021/ic501253c","","","0.71073","MoKα","","0.0793","0.0435","","","0.0804","0.0928","","","","","","1","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341210","24.165","0.0015","11.2586","0.0007","20.1253","0.0012","90","","95.367","0.001","90","","5451.4","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H15 Eu N4 O6 -","- C28 H15 Eu N4 O6 -","- C224 H120 Eu8 N32 O48 -","8","1","","Zhang, Sheng; Yang, Yang; Xia, Zheng-Qiang; Liu, Xiang-Yu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, San-Ping; Gao, Sheng-Li","Eu-MOFs with 2-(4-Carboxyphenyl)imidazo[4,5-f]-1,10-phenanthroline and Ditopic Carboxylates as Coligands: Synthesis, Structure, High Thermostability, and Luminescence Properties.","Inorganic chemistry","2014","53","20","10952","10963","10.1021/ic501253c","","","0.71073","MoKα","","0.0507","0.039","","","0.1343","0.1578","","","","","","1.066","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341211","3.7161","0.0008","24.686","0.005","21.803","0.004","90","","96.552","0.005","90","","1987","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 O5 -","- C20 H18 N4 O5 -","- C80 H72 N16 O20 -","4","1","","Zhang, Sheng; Yang, Yang; Xia, Zheng-Qiang; Liu, Xiang-Yu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, San-Ping; Gao, Sheng-Li","Eu-MOFs with 2-(4-Carboxyphenyl)imidazo[4,5-f]-1,10-phenanthroline and Ditopic Carboxylates as Coligands: Synthesis, Structure, High Thermostability, and Luminescence Properties.","Inorganic chemistry","2014","53","20","10952","10963","10.1021/ic501253c","","","0.71073","MoKα","","0.2126","0.0903","","","0.2558","0.3155","","","","","","1.083","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341212","10.07","0.0007","23.4076","0.0016","11.5729","0.0008","90","","104.689","0.001","90","","2638.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H13 Br2 Eu N4 O6 -","- C28 H13 Br2 Eu N4 O6 -","- C112 H52 Br8 Eu4 N16 O24 -","4","1","","Zhang, Sheng; Yang, Yang; Xia, Zheng-Qiang; Liu, Xiang-Yu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, San-Ping; Gao, Sheng-Li","Eu-MOFs with 2-(4-Carboxyphenyl)imidazo[4,5-f]-1,10-phenanthroline and Ditopic Carboxylates as Coligands: Synthesis, Structure, High Thermostability, and Luminescence Properties.","Inorganic chemistry","2014","53","20","10952","10963","10.1021/ic501253c","","","0.71073","MoKα","","0.0646","0.0412","","","0.1143","0.1433","","","","","","1.017","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341213","9.1667","0.0004","12.1296","0.0006","18.5758","0.0009","84.351","0.001","76.889","0.001","76.261","0.001","1951.85","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H35 Cl3 Ir N2 O4 P2 -","- C39 H35 Cl3 Ir N2 O4 P2 -","- C78 H70 Cl6 Ir2 N4 O8 P4 -","2","1","","Bohle, D. Scott; Chua, Zhijie","Activation of nitrogen brønsted acids: synthesis and reactivity of a new class of nitrogen Acid complexes.","Inorganic chemistry","2014","53","20","11160","11172","10.1021/ic5017033","","","0.71073","MoKα","","0.0265","0.0246","","","0.069","0.07","","","","","","1.063","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341214","9.909","0.004","6.084","0.002","9.487","0.004","90","","103.643","0.004","90","","555.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N2 O4 -","- C3 H6 N2 O4 -","- C12 H24 N8 O16 -","4","1","","Bohle, D. Scott; Chua, Zhijie","Activation of nitrogen brønsted acids: synthesis and reactivity of a new class of nitrogen Acid complexes.","Inorganic chemistry","2014","53","20","11160","11172","10.1021/ic5017033","","","0.71073","MoKα","","0.0494","0.0364","","","0.0843","0.0892","","","","","","1.128","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341215","9.38","0.008","23.239","0.019","10.248","0.008","90","","95.498","0.012","90","","2224","3","273","2","273","2","","","","","","","","9","P 1 21/m 1","-P 2yb","11","","","","- C20.5 H16.5 Cl0.5 F1.5 Ir0.5 N O1.5 P S0.5 -","- C20.5 H16.5 Cl0.5 F1.5 Ir0.5 N O1.5 P S0.5 -","- C82 H66 Cl2 F6 Ir2 N4 O6 P4 S2 -","4","1","","Bohle, D. Scott; Chua, Zhijie","Activation of nitrogen brønsted acids: synthesis and reactivity of a new class of nitrogen Acid complexes.","Inorganic chemistry","2014","53","20","11160","11172","10.1021/ic5017033","","","0.71073","MoKα","","0.1428","0.0908","","","0.2146","0.2425","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341216","10.8122","0.0016","12.4141","0.0018","15.61","0.002","69.852","0.002","76.836","0.002","74.564","0.002","1874.5","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H35 Cl3 Ir N2 O3 P2 -","- C39 H35 Cl3 Ir N2 O3 P2 -","- C78 H70 Cl6 Ir2 N4 O6 P4 -","2","1","","Bohle, D. Scott; Chua, Zhijie","Activation of nitrogen brønsted acids: synthesis and reactivity of a new class of nitrogen Acid complexes.","Inorganic chemistry","2014","53","20","11160","11172","10.1021/ic5017033","","","0.71073","MoKα","","0.0366","0.03","","","0.0723","0.0756","","","","","","1.032","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341217","7.6247","0.0017","7.8003","0.0017","8.3539","0.0018","80.955","0.002","89.992","0.002","76.536","0.002","476.84","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H4 N2 O4 -","- C2 H4 N2 O4 -","- C8 H16 N8 O16 -","4","2","","Bohle, D. Scott; Chua, Zhijie","Activation of nitrogen brønsted acids: synthesis and reactivity of a new class of nitrogen Acid complexes.","Inorganic chemistry","2014","53","20","11160","11172","10.1021/ic5017033","","","0.71073","MoKα","","0.0622","0.0539","","","0.1643","0.1688","","","","","","1.125","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341218","11.2223","0.0017","12.396","0.0018","15.945","0.002","69.818","0.002","76.442","0.002","74.736","0.002","1983.1","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H37 Cl3 Ir N2 O3 P2 -","- C40 H37 Cl3 Ir N2 O3 P2 -","- C80 H74 Cl6 Ir2 N4 O6 P4 -","2","1","","Bohle, D. Scott; Chua, Zhijie","Activation of nitrogen brønsted acids: synthesis and reactivity of a new class of nitrogen Acid complexes.","Inorganic chemistry","2014","53","20","11160","11172","10.1021/ic5017033","","","0.71073","MoKα","","0.04","0.0327","","","0.0823","0.0878","","","","","","1.047","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341219","9.509","0.003","5.849","0.002","7.453","0.003","90","","90","","90","","414.5","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C2 H4 N2 O3 -","- C2 H4 N2 O3 -","- C8 H16 N8 O12 -","4","0.5","","Bohle, D. Scott; Chua, Zhijie","Activation of nitrogen brønsted acids: synthesis and reactivity of a new class of nitrogen Acid complexes.","Inorganic chemistry","2014","53","20","11160","11172","10.1021/ic5017033","","","0.71073","MoKα","","0.0347","0.0334","","","0.088","0.0894","","","","","","1.118","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341220","14.9799","0.0007","18.3062","0.0009","19.7665","0.0009","90","","111.134","0.001","90","","5055.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C106 H136 Cu2 K2 N4 O12 Si2 -","- C106 H136 Cu2 K2 N4 O12 Si2 -","- C212 H272 Cu4 K4 N8 O24 Si4 -","2","0.5","","Liu, Jun-Feng; Min, Xue; Lv, Jin-Yu; Pan, Fu-Xing; Pan, Qing-Jiang; Sun, Zhong-Ming","Ligand-controlled syntheses of copper(i) complexes with metal-metal interactions: crystal structure and relativistic density functional theory investigation.","Inorganic chemistry","2014","53","20","11068","11074","10.1021/ic5015797","","","0.71073","MoKα","","0.0902","0.0543","","","0.1401","0.1599","","","","","","1.071","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341221","17.4633","0.0013","41.433","0.003","17.0997","0.0014","90","","98.686","0.002","90","","12230.7","1.6","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C118 H154 Cu3 I Li2 N6 O7 Si2 -","- C118 H154 Cu3 I Li2 N6 O7 Si2 -","- C472 H616 Cu12 I4 Li8 N24 O28 Si8 -","4","0.5","","Liu, Jun-Feng; Min, Xue; Lv, Jin-Yu; Pan, Fu-Xing; Pan, Qing-Jiang; Sun, Zhong-Ming","Ligand-controlled syntheses of copper(i) complexes with metal-metal interactions: crystal structure and relativistic density functional theory investigation.","Inorganic chemistry","2014","53","20","11068","11074","10.1021/ic5015797","","","0.71073","MoKα","","0.1995","0.0773","","","0.1986","0.2624","","","","","","0.961","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341222","17.0525","0.0012","21.5547","0.0016","47.094","0.003","90","","90","","90","","17310","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C85 H110 Cu4 N8 O Si2 -","- C85 H110 Cu4 N8 O Si2 -","- C680 H880 Cu32 N64 O8 Si16 -","8","1","","Liu, Jun-Feng; Min, Xue; Lv, Jin-Yu; Pan, Fu-Xing; Pan, Qing-Jiang; Sun, Zhong-Ming","Ligand-controlled syntheses of copper(i) complexes with metal-metal interactions: crystal structure and relativistic density functional theory investigation.","Inorganic chemistry","2014","53","20","11068","11074","10.1021/ic5015797","","","0.71073","MoKα","","0.1883","0.0741","","","0.1845","0.2412","","","","","","1.006","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341223","14.346","0.003","10.415","0.002","9.0037","0.0018","90","","90.91","0.03","90","","1345.1","0.5","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl N3 O3 Re -","- C12 H9 Cl N3 O3 Re -","- C48 H36 Cl4 N12 O12 Re4 -","4","1","","Chan, Chung Ying; Pellegrini, Paul A.; Greguric, Ivan; Barnard, Peter J.","Rhenium and technetium tricarbonyl complexes of N-heterocyclic carbene ligands.","Inorganic chemistry","2014","53","20","10862","10873","10.1021/ic500917s","","","0.71073","MoKα","","0.0473","0.0388","","","0.0912","0.0973","","","","","","1.118","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341224","10.3388","0.0003","10.5642","0.0003","19.468","0.0005","90","","91.065","0.002","90","","2125.95","0.1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N3 O5 Re -","- C19 H14 N3 O5 Re -","- C76 H56 N12 O20 Re4 -","4","1","","Chan, Chung Ying; Pellegrini, Paul A.; Greguric, Ivan; Barnard, Peter J.","Rhenium and technetium tricarbonyl complexes of N-heterocyclic carbene ligands.","Inorganic chemistry","2014","53","20","10862","10873","10.1021/ic500917s","","","0.71073","MoKα","","0.0274","0.0231","","","0.0513","0.0527","","","","","","1.107","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341225","10.5678","0.0008","18.9447","0.0012","10.8217","0.0008","90","","107.595","0.009","90","","2065.2","0.3","173.22","","173.22","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N3 O5 Re -","- C23 H16 N3 O5 Re -","- C92 H64 N12 O20 Re4 -","4","1","","Chan, Chung Ying; Pellegrini, Paul A.; Greguric, Ivan; Barnard, Peter J.","Rhenium and technetium tricarbonyl complexes of N-heterocyclic carbene ligands.","Inorganic chemistry","2014","53","20","10862","10873","10.1021/ic500917s","","","0.71073","MoKα","","0.0653","0.0485","","","0.1373","0.1438","","","","","","1.239","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341226","11.792","0.002","11.835","0.002","9.4612","0.0019","90","","90.83","0.03","90","","1320.3","0.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br N3 O2 -","- C12 H14 Br N3 O2 -","- C48 H56 Br4 N12 O8 -","4","1","","Chan, Chung Ying; Pellegrini, Paul A.; Greguric, Ivan; Barnard, Peter J.","Rhenium and technetium tricarbonyl complexes of N-heterocyclic carbene ligands.","Inorganic chemistry","2014","53","20","10862","10873","10.1021/ic500917s","","","0.71073","MoKα","","0.035","0.027","","","0.0607","0.0636","","","","","","1.056","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341227","18.314","0.004","10.307","0.002","9.1252","0.0018","90","","90.05","0.03","90","","1722.5","0.6","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N3 O5 Re -","- C15 H13 Cl N3 O5 Re -","- C60 H52 Cl4 N12 O20 Re4 -","4","1","","Chan, Chung Ying; Pellegrini, Paul A.; Greguric, Ivan; Barnard, Peter J.","Rhenium and technetium tricarbonyl complexes of N-heterocyclic carbene ligands.","Inorganic chemistry","2014","53","20","10862","10873","10.1021/ic500917s","","","0.71073","MoKα","","0.0159","0.0139","","","0.0341","0.035","","","","","","1.107","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341228","22.3994","0.0007","13.4274","0.0004","14.0447","0.0004","90","","111.912","0.003","90","","3919","0.2","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 Cl2 N6 O10 Re2 -","- C38 H26 N8 O10 Re2 -","- C152 H104 N32 O40 Re8 -","4","0.5","","Chan, Chung Ying; Pellegrini, Paul A.; Greguric, Ivan; Barnard, Peter J.","Rhenium and technetium tricarbonyl complexes of N-heterocyclic carbene ligands.","Inorganic chemistry","2014","53","20","10862","10873","10.1021/ic500917s","","","0.71073","MoKα","","0.0313","0.0257","","","0.0588","0.0621","","","","","","1.051","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341229","11.0289","0.0006","11.6045","0.0003","24.5642","0.0014","90","","123.138","0.008","90","","2632.5","0.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cl3 N4 O6 Re -","- C23 H20 Cl3 N4 O6 Re -","- C92 H80 Cl12 N16 O24 Re4 -","4","1","","Chan, Chung Ying; Pellegrini, Paul A.; Greguric, Ivan; Barnard, Peter J.","Rhenium and technetium tricarbonyl complexes of N-heterocyclic carbene ligands.","Inorganic chemistry","2014","53","20","10862","10873","10.1021/ic500917s","","","0.71073","MoKα","","0.0257","0.0205","","","0.0449","0.047","","","","","","1.066","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341230","10.8019","0.0003","13.7644","0.0003","13.8159","0.0004","116.91","0.003","102.629","0.002","92.489","0.002","1763.33","0.1","173.22","0.1","173.22","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C34 H29 Cl2 N4 O9 Re S -","- C34 H29 Cl2 N4 O9 Re S -","- C68 H58 Cl4 N8 O18 Re2 S2 -","2","1","","Chan, Chung Ying; Pellegrini, Paul A.; Greguric, Ivan; Barnard, Peter J.","Rhenium and technetium tricarbonyl complexes of N-heterocyclic carbene ligands.","Inorganic chemistry","2014","53","20","10862","10873","10.1021/ic500917s","","","1.54184","CuKα","","0.0293","0.0258","","","0.063","0.0653","","","","","","1.043","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341231","8.6106","0.0004","31.9058","0.0013","30.2319","0.0013","90","","93.653","0.002","90","","8288.7","0.6","90","0.5","90","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 B F4 N6 O3 Re -","- C26 H28 B F4 N6 O3 Re -","- C312 H336 B12 F48 N72 O36 Re12 -","12","3","","Lewis, Nerissa A.; Marzilli, Patricia A.; Fronczek, Frank R.; Marzilli, Luigi G.","Models for B12-Conjugated Radiopharmaceuticals. Cobaloxime Binding to New fac-[Re(CO)3(Me2Bipyridine)(amidine)]BF4 Complexes Having an Exposed Pyridyl Nitrogen.","Inorganic chemistry","2014","53","20","11096","11107","10.1021/ic5016675","","","1.54184","CuKα","","0.0449","0.0409","","","0.1099","0.1125","","","","","","1.187","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341232","8.8914","0.001","26.195","0.003","12.5039","0.0015","90","","110.199","0.005","90","","2733.2","0.6","90","0.5","90","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 B F4 N6 O3 Re -","- C26 H28 B F4 N6 O3 Re -","- C104 H112 B4 F16 N24 O12 Re4 -","4","1","","Lewis, Nerissa A.; Marzilli, Patricia A.; Fronczek, Frank R.; Marzilli, Luigi G.","Models for B12-Conjugated Radiopharmaceuticals. Cobaloxime Binding to New fac-[Re(CO)3(Me2Bipyridine)(amidine)]BF4 Complexes Having an Exposed Pyridyl Nitrogen.","Inorganic chemistry","2014","53","20","11096","11107","10.1021/ic5016675","","","0.71073","MoKα","","0.0342","0.0254","","","0.0508","0.0534","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341233","14.963","0.002","16.604","0.002","17.856","0.002","90","","90","","90","","4436.2","0.9","90","0.5","90","0.5","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 B Cl3 Co F4 N10 O7 Re -","- C35 H44 B Cl3 Co F4 N10 O7 Re -","- C140 H176 B4 Cl12 Co4 F16 N40 O28 Re4 -","4","1","","Lewis, Nerissa A.; Marzilli, Patricia A.; Fronczek, Frank R.; Marzilli, Luigi G.","Models for B12-Conjugated Radiopharmaceuticals. Cobaloxime Binding to New fac-[Re(CO)3(Me2Bipyridine)(amidine)]BF4 Complexes Having an Exposed Pyridyl Nitrogen.","Inorganic chemistry","2014","53","20","11096","11107","10.1021/ic5016675","","","0.71073","MoKα","","0.0476","0.0359","","","0.0717","0.0752","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4341234","10.997","0.003","14.686","0.003","16.078","0.004","105.787","0.015","105.748","0.015","102.678","0.014","2281.1","1","90","0.5","90","0.5","","","","","","","","9","P -1","-P 1","2","","","","- C38 H52 B Cl Co F4 N10 O8 Re -","- C38 H52 B Cl Co F4 N10 O8 Re -","- C76 H104 B2 Cl2 Co2 F8 N20 O16 Re2 -","2","1","","Lewis, Nerissa A.; Marzilli, Patricia A.; Fronczek, Frank R.; Marzilli, Luigi G.","Models for B12-Conjugated Radiopharmaceuticals. Cobaloxime Binding to New fac-[Re(CO)3(Me2Bipyridine)(amidine)]BF4 Complexes Having an Exposed Pyridyl Nitrogen.","Inorganic chemistry","2014","53","20","11096","11107","10.1021/ic5016675","","","0.71073","MoKα","","0.0711","0.0497","","","0.1147","0.1219","","","","","","1.062","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341235","13.3192","0.0003","15.3615","0.0004","16.3479","0.0006","117.445","0.003","92.385","0.003","95.37","0.002","2941.73","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.5 H41 Cl25 Co N -","- C42.5 H41 Cl25 Co N -","- C85 H82 Cl50 Co2 N2 -","2","1","","García-Monforte, M. Angeles; Ara, Irene; Martín, Antonio; Menjón, Babil; Tomás, Milagros; Alonso, Pablo J.; Arauzo, Ana B.; Martínez, Jesús I.; Rillo, Conrado","Homoleptic Organocobalt(III) Compounds with Intermediate Spin","Inorganic Chemistry","2014","","","141006123300006","","10.1021/ic501719y","","","0.71073","MoKα","","0.0618","0.0576","","","0.141","0.1441","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341236","18.0482","0.0013","18.0482","0.0013","12.2439","0.0009","90","","90","","90","","3988.3","0.5","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C40 H36 Co F20 N -","- C40 H36 Co F20 N -","- C160 H144 Co4 F80 N4 -","4","0.25","","García-Monforte, M. Angeles; Ara, Irene; Martín, Antonio; Menjón, Babil; Tomás, Milagros; Alonso, Pablo J.; Arauzo, Ana B.; Martínez, Jesús I.; Rillo, Conrado","Homoleptic Organocobalt(III) Compounds with Intermediate Spin","Inorganic Chemistry","2014","","","141006123300006","","10.1021/ic501719y","","","0.71073","MoKα","","0.0328","0.0272","","","0.0675","0.0693","","","","","","1.03","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341237","11.7201","0.0011","25.993","0.002","19.5114","0.0015","90","","93.031","0.002","90","","5935.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56.3 H66.6 Cl0.6 Co F20 N2 -","- C56.3 H66.6 Cl0.6 Co F20 N2 -","- C225.2 H266.4 Cl2.4 Co4 F80 N8 -","4","1","","García-Monforte, M. Angeles; Ara, Irene; Martín, Antonio; Menjón, Babil; Tomás, Milagros; Alonso, Pablo J.; Arauzo, Ana B.; Martínez, Jesús I.; Rillo, Conrado","Homoleptic Organocobalt(III) Compounds with Intermediate Spin","Inorganic Chemistry","2014","","","141006123300006","","10.1021/ic501719y","","","0.71073","MoKα","","0.1431","0.0803","","","0.2028","0.2421","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341238","10.625","0.002","20.994","0.002","11.677","0.002","90","","105","0.02","90","","2515.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","hexacarbonylhydrido(μ-4H-cyclopenta[2,1-b:3,4-b']dithiophene-4-carboxylato- κO1:κO2)(μ-3-methylpyridazine-κN1:κN2)dirhenium","","- C21 H12 N2 O8 Re2 S2 -","- C21 H12 N2 O8 Re2 S2 -","- C84 H48 N8 O32 Re8 S8 -","4","1","","Procopio, Elsa Quartapelle; Bonometti, Valentina; Panigati, Monica; Mercandelli, Pierluigi; Mussini, Patrizia R.; Benincori, Tiziana; D'Alfonso, Giuseppe; Sannicolò, Francesco","Dinuclear rhenium complexes as redox-active pendants in a novel electrodeposited polycyclopentadithiophene material.","Inorganic chemistry","2014","53","20","11242","11251","10.1021/ic501840p","","","0.71073","MoKα","","0.0784","0.0429","","","0.0646","0.0714","","","","","","1.171","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341239","20.5595","0.0002","20.5595","0.0002","20.5595","0.0002","90","","90","","90","","8690.36","0.15","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C67 H128 O24 Ti6 -","- C66.9996 H128 O24 Ti6 -","- C267.998 H512.001 O96 Ti24 -","4","0.166667","","Radtke, Aleksandra; Piszczek, Piotr; Muzioł, Tadeusz; Wojtczak, Andrzej","The Structural Conversion of Multinuclear Titanium(IV) μ-Oxo-complexes","Inorganic Chemistry","2014","","","141006083028009","","10.1021/ic5002545","","x-ray","0.71073","MoKα","","0.1193","0.0855","","","0.2051","0.2346","","","","","","1.165","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341240","20.2877","0.001","23.6297","0.0012","11.5533","0.0006","90","","90","","90","","5538.6","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C40 H80 O16 Ti4 -","- C40 H80 O16 Ti4 -","- C160 H320 O64 Ti16 -","4","0.5","","Radtke, Aleksandra; Piszczek, Piotr; Muzioł, Tadeusz; Wojtczak, Andrzej","The Structural Conversion of Multinuclear Titanium(IV) μ-Oxo-complexes","Inorganic Chemistry","2014","","","141006083028009","","10.1021/ic5002545","","x-ray","0.71073","MoKα","","0.0808","0.0554","","","0.143","0.1684","","","","","","1.022","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341241","12.962","0.003","16.979","0.003","13.317","0.003","90","","104.16","0.03","90","","2841.8","1.1","292","2","292","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C39.5 H76 O16 Ti4 -","- C39.4994 H75.9982 O16 Ti4 -","- C78.9988 H151.996 O32 Ti8 -","2","0.5","","Radtke, Aleksandra; Piszczek, Piotr; Muzioł, Tadeusz; Wojtczak, Andrzej","The Structural Conversion of Multinuclear Titanium(IV) μ-Oxo-complexes","Inorganic Chemistry","2014","","","141006083028009","","10.1021/ic5002545","","x-ray","0.71073","MoKα","","0.0876","0.0761","","","0.222","0.2399","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341242","18.2573","0.0004","16.2919","0.0005","20.8348","0.0005","90","","90","","90","","6197.2","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C43.5 H84 O16 Ti4 -","- C43.5 H83.5 O16 Ti4 -","- C174 H334 O64 Ti16 -","4","0.5","","Radtke, Aleksandra; Piszczek, Piotr; Muzioł, Tadeusz; Wojtczak, Andrzej","The Structural Conversion of Multinuclear Titanium(IV) μ-Oxo-complexes","Inorganic Chemistry","2014","","","141006083028009","","10.1021/ic5002545","","x-ray","0.71073","MoKα","","0.0815","0.0532","","","0.1651","0.1903","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341243","19.1601","0.0005","19.1601","0.0005","19.1601","0.0005","58.004","0.002","58.004","0.002","58.004","0.002","4746","0.3","293","2","293","2","","","","","","","","4","R -3 c :R","-P 3* 2n","167","","","","- C70.5 H132 O24 Ti6 -","- C70.5 H120 O24 Ti6 -","- C141 H240 O48 Ti12 -","2","0.166667","","Radtke, Aleksandra; Piszczek, Piotr; Muzioł, Tadeusz; Wojtczak, Andrzej","The Structural Conversion of Multinuclear Titanium(IV) μ-Oxo-complexes","Inorganic Chemistry","2014","","","141006083028009","","10.1021/ic5002545","","x-ray","0.71073","MoKα","","0.0724","0.0518","","","0.1496","0.1582","","","","","","0.986","","","","has coordinates,has disorder","203910","2020-10-21","18:00:00",""
"4341244","17.874","0.006","27.273","0.008","11.528","0.005","90","","105.453","0.008","90","","5416","3","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C144 H336 Cd12 Cl48 N24 -","12","3","","Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Li, Peng-Fei; Chen, Li-Zhuang; Zhang, Yi","Temperature-Triggered Reversible Dielectric and Nonlinear Optical Switch Based on the One-Dimensional Organic-Inorganic Hybrid Phase Transition Compound [C6H11NH3]2CdCl4.","Inorganic chemistry","2014","53","20","11146","11151","10.1021/ic501749c","","","0.71073","MoKα","","0.0589","0.0452","","","0.1047","0.1118","","","","","","1.087","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341245","27.432","0.005","8.4349","0.0017","8.0648","0.0016","90","","90","","90","","1866.1","0.6","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C48 H112 Cd4 Cl16 N8 -","4","0.5","","Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Li, Peng-Fei; Chen, Li-Zhuang; Zhang, Yi","Temperature-Triggered Reversible Dielectric and Nonlinear Optical Switch Based on the One-Dimensional Organic-Inorganic Hybrid Phase Transition Compound [C6H11NH3]2CdCl4.","Inorganic chemistry","2014","53","20","11146","11151","10.1021/ic501749c","","","0.71073","MoKα","","0.0439","0.0362","","","0.0592","0.0609","","","","","","1.083","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341246","28.5482","0.0016","6.103","0.004","5.512","0.003","90","","90","","90","","960.4","0.8","383","2","383","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C24 H56 Cd2 Cl8 N4 -","2","0.25","","Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Li, Peng-Fei; Chen, Li-Zhuang; Zhang, Yi","Temperature-Triggered Reversible Dielectric and Nonlinear Optical Switch Based on the One-Dimensional Organic-Inorganic Hybrid Phase Transition Compound [C6H11NH3]2CdCl4.","Inorganic chemistry","2014","53","20","11146","11151","10.1021/ic501749c","","","0.71073","MoKα","","0.1501","0.1068","","","0.28","0.3083","","","","","","0.926","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341247","7.4126","0.0004","12.9016","0.0006","16.185","0.0008","90","","94.6356","0.0017","90","","1542.78","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pyrazolium trans-tetrachlorido-bis(1H-pyrazole)osmate(III)","","- C9 H13 Cl4 N6 Os -","- C9 H13 Cl4 N6 Os -","- C36 H52 Cl16 N24 Os4 -","4","1","","Kuhn, Paul-Steffen; Büchel, Gabriel E; Jovanović, Katarina K; Filipović, Lana; Radulović, Siniša; Rapta, Peter; Arion, Vladimir B.","Osmium(III) Analogues of KP1019: Electrochemical and Chemical Synthesis, Spectroscopic Characterization, X-ray Crystallography, Hydrolytic Stability, and Antiproliferative Activity.","Inorganic chemistry","2014","53","20","11130","11139","10.1021/ic501710k","","","0.71073","MoKα","","0.0144","0.0132","","","0.0302","0.0306","","","","","","1.041","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341248","9.4631","0.0003","11.0678","0.0004","13.6308","0.0005","106.881","0.001","102.959","0.001","96.242","0.001","1307.98","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Indazolium trans-tetrachlorido-bis(2H-indazole)osmate(III)]","","- C21 H19 Cl4 N6 Os -","- C21 H19 Cl4 N6 Os -","- C42 H38 Cl8 N12 Os2 -","2","1","","Kuhn, Paul-Steffen; Büchel, Gabriel E; Jovanović, Katarina K; Filipović, Lana; Radulović, Siniša; Rapta, Peter; Arion, Vladimir B.","Osmium(III) Analogues of KP1019: Electrochemical and Chemical Synthesis, Spectroscopic Characterization, X-ray Crystallography, Hydrolytic Stability, and Antiproliferative Activity.","Inorganic chemistry","2014","53","20","11130","11139","10.1021/ic501710k","","","0.71073","MoKα","","0.0191","0.0172","","","0.0403","0.041","","","","","","1.01","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341249","14.7786","0.0005","8.6629","0.0003","22.4948","0.0008","90","","90","","90","","2879.91","0.17","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetrabutylammonium trans-tetrachlorido-bis(1H-imidazole)osmate(III)","","- C22 H44 Cl4 N5 Os -","- C22 H44 Cl4 N5 Os -","- C88 H176 Cl16 N20 Os4 -","4","0.5","","Kuhn, Paul-Steffen; Büchel, Gabriel E; Jovanović, Katarina K; Filipović, Lana; Radulović, Siniša; Rapta, Peter; Arion, Vladimir B.","Osmium(III) Analogues of KP1019: Electrochemical and Chemical Synthesis, Spectroscopic Characterization, X-ray Crystallography, Hydrolytic Stability, and Antiproliferative Activity.","Inorganic chemistry","2014","53","20","11130","11139","10.1021/ic501710k","","","0.71073","MoKα","","0.033","0.0219","","","0.0442","0.0481","","","","","","1.066","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341250","16.282","0.0004","16.6588","0.0004","24.1228","0.0006","86.409","0.001","87.479","0.001","65.658","0.002","5948.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Cu~20~H~11~(S~2~P(O^i^Pr)~2~)~9~],1.5benzene","","","- C63 H146 Cu20 O18 P9 S18 -","- C63 H146 Cu20 O18 P9 S18 -","- C126 H292 Cu40 O36 P18 S36 -","2","1","","Liao, Jian-Hong; Dhayal, Rajendra Singh; Wang, Xiaoping; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Neutron diffraction studies of a four-coordinated hydride in near square-planar geometry.","Inorganic chemistry","2014","53","20","11140","11145","10.1021/ic501747e","","","1","neutron","","0.0863","0.0863","","","0.1835","0.1835","","","","","","1.219","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341251","18.359","0.0008","10.0045","0.0004","22.1709","0.0011","90","","90.367","0.002","90","","4072.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Fe N2 P4 -","- C48 H44 Fe N2 P4 -","- C192 H176 Fe4 N8 P16 -","4","1","","Frank, Nicolas; Hanau, Katharina; Langer, Robert","Metal-Ligand Cooperation in H2 Activation with Iron Complexes Bearing Hemilabile Bis(diphenylphosphino)amine Ligands.","Inorganic chemistry","2014","53","20","11335","11343","10.1021/ic5022164","","","0.71073","MoKα","","0.1102","0.081","","","0.1776","0.1922","","","","","","0.995","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341252","12.502","0.003","14.942","0.003","18.299","0.004","94.91","0.03","101.53","0.03","106.56","0.03","3173.2","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75.5 H67 Fe N3 P6 -","- C75.5 H67 Fe N3 P6 -","- C151 H134 Fe2 N6 P12 -","2","1","","Frank, Nicolas; Hanau, Katharina; Langer, Robert","Metal-Ligand Cooperation in H2 Activation with Iron Complexes Bearing Hemilabile Bis(diphenylphosphino)amine Ligands.","Inorganic chemistry","2014","53","20","11335","11343","10.1021/ic5022164","","","0.71073","MoKα","","0.0754","0.0358","","","0.0658","0.0727","","","","","","0.85","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341253","13.137","0.003","22.186","0.004","24.594","0.005","90","","90","","90","","7168","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C79 H69 Fe N3 P6 -","- C79 H69 Fe N3 P6 -","- C316 H276 Fe4 N12 P24 -","4","1","","Frank, Nicolas; Hanau, Katharina; Langer, Robert","Metal-Ligand Cooperation in H2 Activation with Iron Complexes Bearing Hemilabile Bis(diphenylphosphino)amine Ligands.","Inorganic chemistry","2014","53","20","11335","11343","10.1021/ic5022164","","","0.71073","MoKα","","0.0807","0.0579","","","0.1211","0.1297","","","","","","0.966","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341254","10.673","0.0001","8.265","0.0001","13.5683","0.0002","90","","90","","90","","1196.89","0.03","298","0.2","298","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- In Na O6 Te2 -","- In Na O6 Te2 -","- In8 Na8 O48 Te16 -","8","1","","Bae, Su-Whan; Kim, Choong-Yeol; Lee, Dong Woo; Ok, Kang Min","Cooperative Effects of Cation Size and Variable Coordination Modes of Te(4+) on the Frameworks of New Alkali Metal Indium Tellurites, NaIn(TeO3)2, KIn(TeO3)2, RbInTe3O8, and CsInTe3O8.","Inorganic chemistry","2014","53","20","11328","11334","10.1021/ic502108a","","","0.71073","MoKα","","0.0325","0.0253","","","0.0533","0.0552","","","","","","0.939","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341255","13.3038","0.0002","5.8336","0.001","8.251","0.001","90","","90","","90","","640.35","0.13","298","0.2","298","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- In K O6 Te2 -","- In K O6 Te2 -","- In4 K4 O24 Te8 -","4","0.5","","Bae, Su-Whan; Kim, Choong-Yeol; Lee, Dong Woo; Ok, Kang Min","Cooperative Effects of Cation Size and Variable Coordination Modes of Te(4+) on the Frameworks of New Alkali Metal Indium Tellurites, NaIn(TeO3)2, KIn(TeO3)2, RbInTe3O8, and CsInTe3O8.","Inorganic chemistry","2014","53","20","11328","11334","10.1021/ic502108a","","","0.71073","MoKα","","0.0191","0.0169","","","0.0426","0.0433","","","","","","1.1","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341256","5.7616","0.0002","7.5726","0.0003","11.1342","0.0005","79.688","0.002","89.46","0.002","70.252","0.002","449.15","0.03","298","0.2","298","0.2","","","","","","","","4","P -1","-P 1","2","","","","- In O8 Rb Te3 -","- In O8 Rb Te3 -","- In2 O16 Rb2 Te6 -","2","1","","Bae, Su-Whan; Kim, Choong-Yeol; Lee, Dong Woo; Ok, Kang Min","Cooperative Effects of Cation Size and Variable Coordination Modes of Te(4+) on the Frameworks of New Alkali Metal Indium Tellurites, NaIn(TeO3)2, KIn(TeO3)2, RbInTe3O8, and CsInTe3O8.","Inorganic chemistry","2014","53","20","11328","11334","10.1021/ic502108a","","","0.71073","MoKα","","0.0434","0.0328","","","0.0605","0.0655","","","","","","0.999","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341257","5.8081","0.0001","7.7458","0.0002","11.2878","0.0002","79.547","0.01","89.419","0.01","69.38","0.01","466.6","0.04","298","0.2","298","0.2","","","","","","","","4","P -1","-P 1","2","","","","- Cs In O8 Te3 -","- Cs In O8 Te3 -","- Cs2 In2 O16 Te6 -","2","1","","Bae, Su-Whan; Kim, Choong-Yeol; Lee, Dong Woo; Ok, Kang Min","Cooperative Effects of Cation Size and Variable Coordination Modes of Te(4+) on the Frameworks of New Alkali Metal Indium Tellurites, NaIn(TeO3)2, KIn(TeO3)2, RbInTe3O8, and CsInTe3O8.","Inorganic chemistry","2014","53","20","11328","11334","10.1021/ic502108a","","","0.71073","MoKα","","0.0402","0.0283","","","0.0501","0.0538","","","","","","0.902","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341258","11.4695","0.0005","16.8686","0.0008","22.9044","0.0016","95.884","0.007","103.814","0.007","96.178","0.007","4240.4","0.4","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C127 H106 Fe8 K11 N8 O88.4 -","- C127 H106 Fe8 K11 N8 O88.4 -","- C127 H106 Fe8 K11 N8 O88.4 -","1","0.5","","Stewart, Christopher D.; Arman, Hadi; Bawazir, Huda; Musie, Ghezai T.","Synthesis, Characterization, and Spectroscopic Investigation of New Iron(III) and Copper(II) Complexes of a Carboxylate Rich Ligand and Their Interaction with Carbohydrates in Aqueous Solution.","Inorganic chemistry","2014","53","20","10974","10988","10.1021/ic501351a","","","0.71073","MoKα","","0.0793","0.0668","","","0.1481","0.154","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341259","11.2843","0.0008","25.6605","0.0018","11.7228","0.0008","90","","118.009","0.009","90","","2996.9","0.4","98","2","98","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C50 H49 Fe4 K3 N4 O30 -","- C50 H49 Fe4 K3 N4 O30 -","- C100 H98 Fe8 K6 N8 O60 -","2","0.5","","Stewart, Christopher D.; Arman, Hadi; Bawazir, Huda; Musie, Ghezai T.","Synthesis, Characterization, and Spectroscopic Investigation of New Iron(III) and Copper(II) Complexes of a Carboxylate Rich Ligand and Their Interaction with Carbohydrates in Aqueous Solution.","Inorganic chemistry","2014","53","20","10974","10988","10.1021/ic501351a","","","0.71073","MoKα","","0.0771","0.058","","","0.133","0.1413","","","","","","1.034","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341260","14.2554","0.0011","23.756","0.002","24.402","0.002","87.781","0.007","85.21","0.007","89.109","0.007","8228.1","1.2","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C138 H176 B2 N12 Ni4 O4 S6 -","- C138 H176 B2 N12 Ni4 O4 S6 -","- C276 H352 B4 N24 Ni8 O8 S12 -","2","1","","Lach, Jochen; Jeremies, Alexander; Breite, Daniel; Abel, Bernd; Mahns, Benjamin; Knupfer, Martin; Matulis, Vitaly; Ivashkevich, Oleg A.; Kersting, Berthold","Encapsulation of the 4-mercaptobenzoate ligand by macrocyclic metal complexes: conversion of a metallocavitand to a metalloligand.","Inorganic chemistry","2014","53","20","10825","10834","10.1021/ic500683f","","","0.71073","MoKα","","0.1622","0.0869","","","0.2534","0.2763","","","","","","0.976","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341261","15.196","0.005","17.687","0.005","19.126","0.005","89.255","0.005","69.672","0.005","73.124","0.005","4591","2","200","2","200","2","","","","","","","","9","P -1","-P 1","2","","","","- C95 H121 Au B N8 Ni2 O4 P S3 -","- C95 H121 Au B N8 Ni2 O4 P S3 -","- C190 H242 Au2 B2 N16 Ni4 O8 P2 S6 -","2","1","","Lach, Jochen; Jeremies, Alexander; Breite, Daniel; Abel, Bernd; Mahns, Benjamin; Knupfer, Martin; Matulis, Vitaly; Ivashkevich, Oleg A.; Kersting, Berthold","Encapsulation of the 4-mercaptobenzoate ligand by macrocyclic metal complexes: conversion of a metallocavitand to a metalloligand.","Inorganic chemistry","2014","53","20","10825","10834","10.1021/ic500683f","","","0.71073","MoKα","","0.0475","0.0382","","","0.1011","0.1056","","","","","","0.926","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341262","33.7242","0.0012","33.7242","0.0012","17.3577","0.0006","90","","90","","120","","17096.5","1","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- Cl0.6 H126.53 Hf18 O137.07 S12.7 -","- Cl0.6 Hf18 O137.067 S12.7 -","- Cl3.6 Hf108 O822.4 S76.2 -","6","0.5","","Kalaji, Ali; Soderholm, L.","Aqueous hafnium sulfate chemistry: structures of crystalline precipitates.","Inorganic chemistry","2014","53","20","11252","11260","10.1021/ic501841e","","","0.71073","MoKα","","0.0338","0.0263","","","0.0614","0.0643","","","","","","1.041","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341263","34.763","0.002","34.763","0.002","18.7107","0.0013","90","","90","","120","","19582","2","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- H116.92 Hf18.12 N5.64 O134.26 S15.88 -","- Hf18.12 N5.64 O134.26 S15.88 -","- Hf108.72 N33.84 O805.56 S95.28 -","6","0.5","","Kalaji, Ali; Soderholm, L.","Aqueous hafnium sulfate chemistry: structures of crystalline precipitates.","Inorganic chemistry","2014","53","20","11252","11260","10.1021/ic501841e","","","0.71073","MoKα","","0.0537","0.0439","","","0.108","0.1149","","","","","","1.119","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341264","15.1165","0.0008","24.5806","0.0013","25.0808","0.0013","88.4626","0.0008","81.5081","0.0008","87.5482","0.0008","9206.7","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- H96 Hf11 N11 O98.5 S15 -","- Hf11 N11 O98.5 S15 -","- Hf44 N44 O394 S60 -","4","2","","Kalaji, Ali; Soderholm, L.","Aqueous hafnium sulfate chemistry: structures of crystalline precipitates.","Inorganic chemistry","2014","53","20","11252","11260","10.1021/ic501841e","","","0.71073","MoKα","","0.0657","0.0542","","","0.1168","0.1211","","","","","","1.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341265","14.9489","0.0005","30.115","0.001","23.2134","0.0008","90","","102.36","0.001","90","","10208.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H104 Hf11 N13 O102.5 S16 -","- Hf11 N13 O102.5 S16 -","- Hf44 N52 O410 S64 -","4","1","","Kalaji, Ali; Soderholm, L.","Aqueous hafnium sulfate chemistry: structures of crystalline precipitates.","Inorganic chemistry","2014","53","20","11252","11260","10.1021/ic501841e","","","0.71073","MoKα","","0.0606","0.0468","","","0.112","0.1187","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341266","22.5768","0.0006","9.8962","0.0003","23.762","0.0006","90","","90","","90","","5309","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H43 Hf6 N7 O54.5 S10.5 -","- Hf6 N7 O54.5 S10.5 -","- Hf24 N28 O218 S42 -","4","0.5","","Kalaji, Ali; Soderholm, L.","Aqueous hafnium sulfate chemistry: structures of crystalline precipitates.","Inorganic chemistry","2014","53","20","11252","11260","10.1021/ic501841e","","","0.71073","MoKα","","0.0512","0.0488","","","0.1017","0.1025","","","","","","1.261","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341267","19.0716","0.0007","9.9058","0.0004","14.1053","0.0005","90","","90","","90","","2664.77","0.17","100","2","100","2","","","","","","","","5","P m m n","-P 2ab 2a","59","","","","- H49 Hf6 N7 O57.5 S10.5 -","- Hf6 N7 O57.5 S10.5 -","- Hf12 N14 O115 S21 -","2","","","Kalaji, Ali; Soderholm, L.","Aqueous hafnium sulfate chemistry: structures of crystalline precipitates.","Inorganic chemistry","2014","53","20","11252","11260","10.1021/ic501841e","","","0.71073","MoKα","","0.0254","0.0223","","","0.0543","0.0557","","","","","","1.113","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341268","10.0272","0.0006","10.0808","0.0006","12.0598","0.0007","99.663","0.001","93.389","0.001","114.308","0.001","1083.99","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Cl4 O2 P2 U -","- C48 H40 Cl4 O2 P2 U -","- C48 H40 Cl4 O2 P2 U -","1","0.5","","Schnaars, David D.; Wilson, Richard E.","Lattice Solvent and Crystal Phase Effects on the Vibrational Spectra of UO2Cl4(2-).","Inorganic chemistry","2014","53","20","11036","11045","10.1021/ic501553m","","","0.71073","MoKα","","0.0274","0.0257","","","0.054","0.0549","","","","","","1.042","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341269","12.9364","0.0008","10.7145","0.0006","19.5933","0.0009","90","","124.158","0.003","90","","2247.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Cl4 O2 P2 U -","- C48 H40 Cl4 O2 P2 U -","- C96 H80 Cl8 O4 P4 U2 -","2","0.5","","Schnaars, David D.; Wilson, Richard E.","Lattice Solvent and Crystal Phase Effects on the Vibrational Spectra of UO2Cl4(2-).","Inorganic chemistry","2014","53","20","11036","11045","10.1021/ic501553m","","","0.71073","MoKα","","0.047","0.0272","","","0.0517","0.0573","","","","","","1.011","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341270","10.0361","0.0011","10.9404","0.0012","12.6063","0.0014","69.177","0.001","76.948","0.001","82.543","0.001","1258.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H44 Cl8 O2 P2 U -","- C50 H44 Cl8 O2 P2 U -","- C50 H44 Cl8 O2 P2 U -","1","0.5","","Schnaars, David D.; Wilson, Richard E.","Lattice Solvent and Crystal Phase Effects on the Vibrational Spectra of UO2Cl4(2-).","Inorganic chemistry","2014","53","20","11036","11045","10.1021/ic501553m","","","0.71073","MoKα","","0.021","0.0209","","","0.0498","0.0499","","","","","","1.069","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341271","10.1875","0.0007","10.967","0.0007","12.5027","0.0008","65.361","0.001","84.735","0.001","75.403","0.001","1228.57","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H46 Cl4 N2 O2 P2 U -","- C52 H46 Cl4 N2 O2 P2 U -","- C52 H46 Cl4 N2 O2 P2 U -","1","0.5","","Schnaars, David D.; Wilson, Richard E.","Lattice Solvent and Crystal Phase Effects on the Vibrational Spectra of UO2Cl4(2-).","Inorganic chemistry","2014","53","20","11036","11045","10.1021/ic501553m","","","0.71073","MoKα","","0.0295","0.0276","","","0.0524","0.0531","","","","","","1.04","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341272","25.7235","0.0019","15.992","0.0012","16.7783","0.0012","90","","96.267","0.001","90","","6860.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C147 H132 Cl12 O9 P6 U3 -","- C147 H128 Cl12 O9 P6 U3 -","- C294 H256 Cl24 O18 P12 U6 -","2","0.5","","Schnaars, David D.; Wilson, Richard E.","Lattice Solvent and Crystal Phase Effects on the Vibrational Spectra of UO2Cl4(2-).","Inorganic chemistry","2014","53","20","11036","11045","10.1021/ic501553m","","","0.71073","MoKα","","0.0413","0.0258","","","0.0562","0.0618","","","","","","1.016","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341273","10.1478","0.0009","11.022","0.001","12.6883","0.0012","69.214","0.001","76.724","0.001","82.154","0.001","1289","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H44 As2 Cl8 O2 U -","- C50 H44 As2 Cl8 O2 U -","- C50 H44 As2 Cl8 O2 U -","1","0.5","","Schnaars, David D.; Wilson, Richard E.","Lattice Solvent and Crystal Phase Effects on the Vibrational Spectra of UO2Cl4(2-).","Inorganic chemistry","2014","53","20","11036","11045","10.1021/ic501553m","","","0.71073","MoKα","","0.0332","0.0276","","","0.0623","0.0646","","","","","","1.024","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341274","12.5071","0.0014","12.7442","0.0017","17.496","0.002","94.13","0.008","94.39","0.008","93.802","0.007","2766.1","0.6","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H30 F12 N11 P2 Ru -","- C47 H39 F12 N11 P2 Ru -","- C94 H78 F24 N22 P4 Ru2 -","2","1","","Hirakawa, Shota; Koizumi, Take-Aki","Synthesis and dynamic behavior of an anthyridine-ligated ruthenium complex.","Inorganic chemistry","2014","53","20","10788","10790","10.1021/ic5011743","","","0.7107","MoKα","","","0.073","","","","0.1392","","","","","","1.001","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341275","13.287","0.004","17.777","0.005","16.497","0.005","90","","99.787","0.0011","90","","3840","2","113.1","","113.1","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C39 H27 F12 N7 P2 Ru -","- C39 H27 F12 N7 P2 Ru -","- C156 H108 F48 N28 P8 Ru4 -","4","1","","Hirakawa, Shota; Koizumi, Take-Aki","Synthesis and dynamic behavior of an anthyridine-ligated ruthenium complex.","Inorganic chemistry","2014","53","20","10788","10790","10.1021/ic5011743","","","0.7107","MoKα","","","0.0414","","","","0.0434","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341276","8.02391","0.00004","8.02391","0.00004","5.23601","0.00003","90","","90","","90","","337.111","0.003","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","CeSrGa3O7.39","- Ce Ga3 O7.38 Sr -","- Ce Ga3 O7.37644 Sr -","- Ce2 Ga6 O14.7529 Sr2 -","2","0.25","","Xu, Jungu; Kuang, Xiaojun; Véron, Emmanuel; Allix, Mathieu; Suchomel, Matthew R.; Porcher, Florence; Liang, Chaolun; Pan, Fengjuan; Wu, Mingmei","Localization of Oxygen Interstitials in CeSrGa3O7+δ Melilite.","Inorganic chemistry","2014","53","21","11589","11597","10.1021/ic501662p","","","1.225","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341277","37.0156","0.0011","37.0156","0.0011","37.0156","0.0011","90","","90","","90","","50717","3","150","","150","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C96 H111 B3 O14 Zn3 -","- C96 H111 B3 O14 Zn3 -","- C1536 H1776 B48 O224 Zn48 -","16","0.166667","","Wang, Xiaoqing; Yang, Jie; Zhang, Liangliang; Liu, Fuling; Dai, Fangna; Sun, Daofeng","Synthesis of two triarylboron-functionalized metal-organic frameworks: in situ decarboxylic reaction, structure, photoluminescence, and gas adsorption properties.","Inorganic chemistry","2014","53","20","11206","11212","10.1021/ic501801f","","","1.54184","CuKα","","0.1618","0.0862","","","0.2178","0.2478","","","","","","1.006","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341278","14.9156","0.0007","15.0624","0.0008","28.7668","0.0011","90","","117.561","0.003","90","","5729.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H108 B2 Cd3 N4 O16 -","- C82 H108 B2 Cd3 N4 O16 -","- C164 H216 B4 Cd6 N8 O32 -","2","0.5","","Wang, Xiaoqing; Yang, Jie; Zhang, Liangliang; Liu, Fuling; Dai, Fangna; Sun, Daofeng","Synthesis of two triarylboron-functionalized metal-organic frameworks: in situ decarboxylic reaction, structure, photoluminescence, and gas adsorption properties.","Inorganic chemistry","2014","53","20","11206","11212","10.1021/ic501801f","","","0.71","MoKα","","0.1136","0.068","","","0.1782","0.1953","","","","","","1.077","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341279","8.27","0.0017","7.44","0.0015","11.72","0.002","90","","90.4","0.03","90","","721.1","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","SrU2S5","","","- S5 Sr U2 -","- S5 Sr U2 -","- S20 Sr4 U8 -","4","1","","Prakash, Jai; Tarasenko, Mariya S.; Mesbah, Adel; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies of Five Members of the MAn2Q5 Family: SrU2S5, BaU2Se5, PbU2S5, BaTh2S5, and BaU2Te5.","Inorganic chemistry","2014","53","21","11626","11632","10.1021/ic501795w","","","0.71073","MoKα","","0.0229","0.0226","","","0.0542","0.0542","","","","","","1.604","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341280","8.7606","0.0001","7.8316","0.0001","12.2399","0.0002","90","","90.527","0.001","90","","839.74","0.02","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","barium diuranium selenide","","","- Ba Se5 U2 -","- Ba Se5 U2 -","- Ba4 Se20 U8 -","4","1","","Prakash, Jai; Tarasenko, Mariya S.; Mesbah, Adel; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies of Five Members of the MAn2Q5 Family: SrU2S5, BaU2Se5, PbU2S5, BaTh2S5, and BaU2Te5.","Inorganic chemistry","2014","53","21","11626","11632","10.1021/ic501795w","","","0.71073","MoKα","","0.0262","0.025","","","0.0627","0.063","","","","","","1.486","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341281","8.2376","0.0004","7.4434","0.0003","11.7236","0.0005","90","","90.139","0.0018","90","","718.84","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","PbU2S5","","","- Pb S5 U2 -","- Pb S5 U2 -","- Pb4 S20 U8 -","4","1","","Prakash, Jai; Tarasenko, Mariya S.; Mesbah, Adel; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies of Five Members of the MAn2Q5 Family: SrU2S5, BaU2Se5, PbU2S5, BaTh2S5, and BaU2Te5.","Inorganic chemistry","2014","53","21","11626","11632","10.1021/ic501795w","","","0.71073","MoKα","","0.0405","0.0396","","","0.1166","0.1171","","","","","","1.629","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341282","8.61","0.0017","7.62","0.0015","12.06","0.002","90","","90.34","0.03","90","","791.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BaTh2S5","","","- Ba S5 Th2 -","- Ba S5 Th2 -","- Ba4 S20 Th8 -","4","1","","Prakash, Jai; Tarasenko, Mariya S.; Mesbah, Adel; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies of Five Members of the MAn2Q5 Family: SrU2S5, BaU2Se5, PbU2S5, BaTh2S5, and BaU2Te5.","Inorganic chemistry","2014","53","21","11626","11632","10.1021/ic501795w","","","0.71073","MoKα","","0.0371","0.0299","","","0.0645","0.0674","","","","","","1.036","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4341283","8.3194","0.0002","8.3194","0.0002","14.562","0.0004","90","","90","","90","","1007.87","0.04","100","2","100","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","BaU2Te5","","","- Ba Te5 U2 -","- Ba Te5 U2 -","- Ba4 Te20 U8 -","4","0.125","","Prakash, Jai; Tarasenko, Mariya S.; Mesbah, Adel; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies of Five Members of the MAn2Q5 Family: SrU2S5, BaU2Se5, PbU2S5, BaTh2S5, and BaU2Te5.","Inorganic chemistry","2014","53","21","11626","11632","10.1021/ic501795w","","","0.71073","MoKα","","0.0171","0.0169","","","0.0406","0.0406","","","","","","2.298","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341284","19.8504","0.0006","29.5124","0.0009","16.7516","0.0005","90","","114.585","0.0014","90","","8924","0.5","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl6 Mo2 N12 Ru -","- C42 H36 Cl6 Mo2 N12 Ru -","- C336 H288 Cl48 Mo16 N96 Ru8 -","8","2","","Brogden, David W.; Berry, John F.","Heterometallic Multiple Bonding: Delocalized Three-Center σ and π Bonding in Chains of 4d and 5d Transition Metals.","Inorganic chemistry","2014","53","21","11354","11356","10.1021/ic5024218","","x-ray","0.71073","MoKα","","0.047","0.031","","","0.0662","0.0745","","","","","","1.056","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341285","19.7217","0.0005","29.7782","0.0008","16.7192","0.0004","90","","114.573","0.0012","90","","8929.5","0.4","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H72 Cl11.98 N24 Ru2 W4 -","- C84 H72 Cl11.9804 N24 Ru2 W4 -","- C336 H288 Cl47.9216 N96 Ru8 W16 -","4","1","","Brogden, David W.; Berry, John F.","Heterometallic Multiple Bonding: Delocalized Three-Center σ and π Bonding in Chains of 4d and 5d Transition Metals.","Inorganic chemistry","2014","53","21","11354","11356","10.1021/ic5024218","","x-ray","0.71073","MoKα","","0.0596","0.0418","","","0.0886","0.0978","","","","","","1.152","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341286","9.9099","0.0002","23.5511","0.0005","15.7915","0.0004","90","","116.591","0.002","90","","3295.72","0.14","100.2","0.2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Fe Mo2 O5 P3 -","- C28 H35 Fe Mo2 O5 P3 -","- C112 H140 Fe4 Mo8 O20 P12 -","4","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Lozano, Raquel; Ramos, Alberto; Ruiz, Miguel A.","Mild P-P Bond Cleavage in the Methyldiphosphenyl Complex [Mo2Cp2(μ-PCy2)(μ-κ(2):κ(2)-P2Me)(CO)2] To Give Novel Phosphide-Bridged Trinuclear Derivatives.","Inorganic chemistry","2014","53","20","11261","11273","10.1021/ic501857f","","x-ray","1.54184","CuKα","","0.0345","0.0303","","","0.0863","0.0888","","","","","","1.074","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341287","11.458","0.005","18.27","0.005","18.747","0.005","111.258","0.005","99.502","0.005","106.801","0.005","3337.3","1.9","124","3","124","3","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C59 H72 Cl2 Mo4 O12 P6 W2 -","- C59 H72 Cl2 Mo4 O12 P6 W2 -","- C118 H144 Cl4 Mo8 O24 P12 W4 -","2","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Lozano, Raquel; Ramos, Alberto; Ruiz, Miguel A.","Mild P-P Bond Cleavage in the Methyldiphosphenyl Complex [Mo2Cp2(μ-PCy2)(μ-κ(2):κ(2)-P2Me)(CO)2] To Give Novel Phosphide-Bridged Trinuclear Derivatives.","Inorganic chemistry","2014","53","20","11261","11273","10.1021/ic501857f","","x-ray","1.54184","CuKα","","0.0399","0.0328","","","0.0802","0.0855","","","","","","1.045","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341288","10.4478","0.0008","11.2943","0.0012","14.2992","0.0017","71.451","0.011","88.166","0.008","83.909","0.008","1590.6","0.3","123","0.14","123","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C29 H32 Mo2 O7 P2 W -","- C29 H32 Mo2 O7 P2 W -","- C58 H64 Mo4 O14 P4 W2 -","2","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Lozano, Raquel; Ramos, Alberto; Ruiz, Miguel A.","Mild P-P Bond Cleavage in the Methyldiphosphenyl Complex [Mo2Cp2(μ-PCy2)(μ-κ(2):κ(2)-P2Me)(CO)2] To Give Novel Phosphide-Bridged Trinuclear Derivatives.","Inorganic chemistry","2014","53","20","11261","11273","10.1021/ic501857f","","x-ray","1.54184","CuKα","","0.1221","0.0695","","","0.1673","0.2121","","","","","","0.954","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341289","10.9898","0.0003","15.1118","0.0004","19.6212","0.0009","90","","100.84","0.004","90","","3200.5","0.2","123","0.1","123","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Mn Mo2 O5 P2 -","- C33 H39 Mn Mo2 O5 P2 -","- C132 H156 Mn4 Mo8 O20 P8 -","4","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Lozano, Raquel; Ramos, Alberto; Ruiz, Miguel A.","Mild P-P Bond Cleavage in the Methyldiphosphenyl Complex [Mo2Cp2(μ-PCy2)(μ-κ(2):κ(2)-P2Me)(CO)2] To Give Novel Phosphide-Bridged Trinuclear Derivatives.","Inorganic chemistry","2014","53","20","11261","11273","10.1021/ic501857f","","x-ray","1.54184","CuKα","","0.0686","0.0523","","","0.1292","0.1424","","","","","","1.013","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341290","7.1156","0.0013","25.881","0.005","11.671","0.002","90","","103.311","0.003","90","","2091.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl2 N3 O4 Ru -","- C20 H23 Cl2 N3 O4 Ru -","- C80 H92 Cl8 N12 O16 Ru4 -","4","1","","Martínez-Alonso, Marta; Busto, Natalia; Jalón, Félix A; Manzano, Blanca R.; Leal, José M; Rodríguez, Ana M; García, Begoña; Espino, Gustavo","Derivation of Structure-Activity Relationships from the Anticancer Properties of Ruthenium(II) Arene Complexes with 2-Aryldiazole Ligands.","Inorganic chemistry","2014","53","20","11274","11288","10.1021/ic501865h","","","0.71073","MoKα","","0.0339","0.0317","","","0.0833","0.0868","","","","","","1.103","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341291","8.5135","0.0007","19.5527","0.0015","12.89","0.001","90","","94.06","0.001","90","","2140.3","0.3","290","2","290","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B Cl F4 N3 O1.5 Ru -","- C18 H18 B Cl F4 N3 O1.5 Ru -","- C72 H72 B4 Cl4 F16 N12 O6 Ru4 -","4","1","","Martínez-Alonso, Marta; Busto, Natalia; Jalón, Félix A; Manzano, Blanca R.; Leal, José M; Rodríguez, Ana M; García, Begoña; Espino, Gustavo","Derivation of Structure-Activity Relationships from the Anticancer Properties of Ruthenium(II) Arene Complexes with 2-Aryldiazole Ligands.","Inorganic chemistry","2014","53","20","11274","11288","10.1021/ic501865h","","","0.71073","MoKα","","0.063","0.0554","","","0.1665","0.1726","","","","","","1.1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341292","8.34","0.002","10.076","0.003","14.514","0.004","98.068","0.004","100.09","0.004","107.928","0.004","1117.7","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H25 B Cl F4 N3 O Ru -","- C22 H25 B Cl F4 N3 O Ru -","- C44 H50 B2 Cl2 F8 N6 O2 Ru2 -","2","1","","Martínez-Alonso, Marta; Busto, Natalia; Jalón, Félix A; Manzano, Blanca R.; Leal, José M; Rodríguez, Ana M; García, Begoña; Espino, Gustavo","Derivation of Structure-Activity Relationships from the Anticancer Properties of Ruthenium(II) Arene Complexes with 2-Aryldiazole Ligands.","Inorganic chemistry","2014","53","20","11274","11288","10.1021/ic501865h","","","0.71073","MoKα","","0.0497","0.0437","","","0.114","0.1173","","","","","","1.013","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341293","18.343","0.004","8.0292","0.0016","16.932","0.003","90","","111.272","0.004","90","","2323.8","0.8","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Cl2 N3 O2 Ru -","- C23 H29 Cl2 N3 O2 Ru -","- C92 H116 Cl8 N12 O8 Ru4 -","4","1","","Martínez-Alonso, Marta; Busto, Natalia; Jalón, Félix A; Manzano, Blanca R.; Leal, José M; Rodríguez, Ana M; García, Begoña; Espino, Gustavo","Derivation of Structure-Activity Relationships from the Anticancer Properties of Ruthenium(II) Arene Complexes with 2-Aryldiazole Ligands.","Inorganic chemistry","2014","53","20","11274","11288","10.1021/ic501865h","","","0.71073","MoKα","","0.0559","0.0408","","","0.0885","0.0942","","","","","","0.939","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341294","8.02","0.004","10.144","0.005","14.527","0.007","78.741","0.007","82.356","0.007","69.764","0.007","1084.8","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H40 B2 F14 N6 O5 Ru2 Si -","- C36 H40 B2 F14 N6 O5 Ru2 Si -","- C36 H40 B2 F14 N6 O5 Ru2 Si -","1","0.5","","Martínez-Alonso, Marta; Busto, Natalia; Jalón, Félix A; Manzano, Blanca R.; Leal, José M; Rodríguez, Ana M; García, Begoña; Espino, Gustavo","Derivation of Structure-Activity Relationships from the Anticancer Properties of Ruthenium(II) Arene Complexes with 2-Aryldiazole Ligands.","Inorganic chemistry","2014","53","20","11274","11288","10.1021/ic501865h","","","0.71073","MoKα","","0.0712","0.0573","","","0.1302","0.1395","","","","","","1.084","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341295","9.2531","0.0008","10.9702","0.001","18.762","0.0016","83.36","0.001","78.113","0.001","71.235","0.001","1762.1","0.3","290","2","290","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H31 F12 N8 O1.5 P2 Ru -","- C28 H31 F12 N8 O1.5 P2 Ru -","- C56 H62 F24 N16 O3 P4 Ru2 -","2","1","","Martínez-Alonso, Marta; Busto, Natalia; Jalón, Félix A; Manzano, Blanca R.; Leal, José M; Rodríguez, Ana M; García, Begoña; Espino, Gustavo","Derivation of Structure-Activity Relationships from the Anticancer Properties of Ruthenium(II) Arene Complexes with 2-Aryldiazole Ligands.","Inorganic chemistry","2014","53","20","11274","11288","10.1021/ic501865h","","","0.71073","MoKα","","0.052","0.0482","","","0.1408","0.144","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341296","10.328","0.003","15.186","0.004","12.167","0.003","90","","92.557","0.004","90","","1906.4","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cl N2 Ru -","- C23 H23 Cl N2 Ru -","- C92 H92 Cl4 N8 Ru4 -","4","1","","Martínez-Alonso, Marta; Busto, Natalia; Jalón, Félix A; Manzano, Blanca R.; Leal, José M; Rodríguez, Ana M; García, Begoña; Espino, Gustavo","Derivation of Structure-Activity Relationships from the Anticancer Properties of Ruthenium(II) Arene Complexes with 2-Aryldiazole Ligands.","Inorganic chemistry","2014","53","20","11274","11288","10.1021/ic501865h","","","0.71073","MoKα","","0.0294","0.0256","","","0.0636","0.0649","","","","","","1.077","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341297","13.3304","0.0011","12.9564","0.0011","21.5188","0.0015","90","","127.769","0.005","90","","2937.9","0.4","173","2","173","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[FeL5b(pina)].0.5MeOH","","","- C31 H35 Fe N5 O7 -","- C31 H35 Fe N5 O7 -","- C124 H140 Fe4 N20 O28 -","4","1","","Lochenie, Charles; Bauer, Wolfgang; Railliet, Antoine P.; Schlamp, Stephan; Garcia, Yann; Weber, Birgit","Large Thermal Hysteresis for Iron(II) Spin Crossover Complexes with N-(Pyrid-4-yl)isonicotinamide.","Inorganic chemistry","2014","53","21","11563","11572","10.1021/ic501624b","","x-ray","0.7107","MoKα","","0.0924","0.0516","","","0.1215","0.1316","","","","","","0.962","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341298","21.6944","0.0004","21.6944","0.0004","51.068","0.002","90","","90","","120","","20814.9","1","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C120 H144 Ag13 N72 O190 P4 W48 -","- C120 H84 Ag13 N72 O190 P4 W48 -","- C360 H252 Ag39 N216 O570 P12 W144 -","3","0.166667","","Wang, Lei; Yang, Weiting; Zhu, Wei; Guan, Xingang; Xie, Zhigang; Sun, Zhong-Ming","A nanosized {ag@ag12} ""molecular windmill"" templated by polyoxometalates anions.","Inorganic chemistry","2014","53","21","11584","11588","10.1021/ic501657p","","","0.71073","MoKα","","0.0386","0.0283","","","0.0922","0.1025","","","","","","1.013","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341299","12.0925","0.0003","13.2486","0.0003","17.1306","0.0004","91.4086","0.0018","108.979","0.002","111.961","0.002","2373.28","0.11","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H49 Cl2 N O P2 Ru S2 -","- C52 H49 Cl2 N O P2 Ru S2 -","- C104 H98 Cl4 N2 O2 P4 Ru2 S4 -","2","1","","Hurtubise, Venesia L.; McArdle, James M.; Naeem, Saira; Toscani, Anita; White, Andrew J. P.; Long, Nicholas J.; Wilton-Ely, James D E T","Multimetallic complexes and functionalized nanoparticles based on unsymmetrical dithiocarbamate ligands with allyl and propargyl functionality.","Inorganic chemistry","2014","53","21","11740","11748","10.1021/ic502015c","","","0.71073","MoKα","","0.0461","0.032","","","0.0781","0.0804","","","","","","0.979","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341300","17.13911","0.00011","11.81289","0.00006","27.19952","0.00016","90","","94.8134","0.0005","90","","5487.46","0.06","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H51 Cl F6 N P5 Ru S2 -","- C55.5 H51 Cl F6 N P5 Ru S2 -","- C222 H204 Cl4 F24 N4 P20 Ru4 S8 -","4","1","","Hurtubise, Venesia L.; McArdle, James M.; Naeem, Saira; Toscani, Anita; White, Andrew J. P.; Long, Nicholas J.; Wilton-Ely, James D E T","Multimetallic complexes and functionalized nanoparticles based on unsymmetrical dithiocarbamate ligands with allyl and propargyl functionality.","Inorganic chemistry","2014","53","21","11740","11748","10.1021/ic502015c","","","1.54184","CuKα","","0.0365","0.0335","","","0.0876","0.0898","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341301","12.058","0.0014","18.146","0.002","20.81","0.002","70.236","0.006","85.941","0.006","79.001","0.006","4206.3","0.8","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C90.7 H104.1 Al Cl3.3 Cr2 N4 P4 -","- C90.7 H104.1 Al Cl3.3 Cr2 N4 P4 -","- C181.4 H208.2 Al2 Cl6.6 Cr4 N8 P8 -","2","1","","Alzamly, Ahmed; Gorelsky, Serge I.; Gambarotta, Sandro; Korobkov, Ilia; Le Roy, Jennifer; Murugesu, Muralee","Chromium-Chromium Interaction in a Binuclear Mixed-Valent Cr(I)-Cr(II) Complex.","Inorganic chemistry","2014","53","21","11492","11497","10.1021/ic501404v","","","0.71073","MoKα","","0.1105","0.0691","","","0.124","0.1385","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341302","8.2764","0.0004","13.5187","0.0008","19.4324","0.0011","81.57","0.005","83.197","0.004","86.156","0.004","2132.9","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","{[Cu(DT-5-E)~2~(H~2~O)~2~](ClO~4~)~2~}{[Cu(DT-5-E)~2~(μ-DT-5-E)~2~][Cu(DT-5-E)(μ-DT-5-E)(H~2~O)]~2~(ClO~4~)~6~)}","","","- C32 H56 Cl8 Cu4 N64 O36 -","- C32 H56 Cl8 Cu4 N64 O36 -","- C32 H56 Cl8 Cu4 N64 O36 -","1","0.5","","Evers, Jürgen; Gospodinov, Ivan; Joas, Manuel; Klapötke, Thomas M; Stierstorfer, Jörg","Cocrystallization of Photosensitive Energetic Copper(II) Perchlorate Complexes with the Nitrogen-rich Ligand 1,2-Di(1H-tetrazol-5-yl)ethane.","Inorganic chemistry","2014","53","21","11749","11756","10.1021/ic5020175","","","0.71073","MoKα","","0.0657","0.0496","","","0.111","0.1235","","","","","","1.046","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341303","6.7273","0.0001","21.9914","0.0004","15.9205","0.0003","90","","90","","90","","2355.32","0.07","173","2","173","2","","","","","","","","6","P b c 21","P 2c -2b","29","[Cu(dt-5-e)~2~(H~2~O)~2~](ClO~4~)~2~ * 2 H~2~O","","","- C8 H20 Cl2 Cu N16 O12 -","- C8 H20 Cl2 Cu N16 O12 -","- C32 H80 Cl8 Cu4 N64 O48 -","4","1","","Evers, Jürgen; Gospodinov, Ivan; Joas, Manuel; Klapötke, Thomas M; Stierstorfer, Jörg","Cocrystallization of Photosensitive Energetic Copper(II) Perchlorate Complexes with the Nitrogen-rich Ligand 1,2-Di(1H-tetrazol-5-yl)ethane.","Inorganic chemistry","2014","53","21","11749","11756","10.1021/ic5020175","","","0.71073","MoKα","","0.0473","0.046","","","0.1152","0.1172","","","","","","1.079","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341304","7.5458","0.0006","7.8676","0.0009","8.7089","0.0009","65.66","0.01","73.373","0.008","73.506","0.009","443.14","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Cu(NO~3~)~2~(DT-5-E)~2~","Dinitratobis(1,2-di(1H-tetrazol-5-yl)ethane)copper(II)","","- C8 H12 Cu N18 O6 -","- C8 H12 Cu N18 O6 -","- C8 H12 Cu N18 O6 -","1","0.5","","Evers, Jürgen; Gospodinov, Ivan; Joas, Manuel; Klapötke, Thomas M; Stierstorfer, Jörg","Cocrystallization of Photosensitive Energetic Copper(II) Perchlorate Complexes with the Nitrogen-rich Ligand 1,2-Di(1H-tetrazol-5-yl)ethane.","Inorganic chemistry","2014","53","21","11749","11756","10.1021/ic5020175","","","0.71073","MoKα","","0.0369","0.0294","","","0.0632","0.0671","","","","","","1.067","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341305","7.6396","0.0003","15.2017","0.0005","11.2882","0.0005","90","","103.54","0.004","90","","1274.52","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu(BMTE)~2~(H~2~O)~2~](ClO~4~)~2~","Diaquabis(1,2-bis(1-methyltetrazol-5-yl)ethane)copper(II) perchlorate","","- C12 H24 Cl2 Cu N16 O10 -","- C12 H24 Cl2 Cu N16 O10 -","- C24 H48 Cl4 Cu2 N32 O20 -","2","0.5","","Evers, Jürgen; Gospodinov, Ivan; Joas, Manuel; Klapötke, Thomas M; Stierstorfer, Jörg","Cocrystallization of Photosensitive Energetic Copper(II) Perchlorate Complexes with the Nitrogen-rich Ligand 1,2-Di(1H-tetrazol-5-yl)ethane.","Inorganic chemistry","2014","53","21","11749","11756","10.1021/ic5020175","","","0.71073","MoKα","","0.0327","0.0274","","","0.0665","0.0699","","","","","","1.052","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341306","3.91954","0.00016","3.91954","0.00016","10.1132","0.0005","90","","90","","90","","155.367","0.012","293","","293","","","","","","","","synthetic","3","I 41/a m d :2","-I 4bd 2","141","delta tantalum oxide nitride","tantalum oxide nitride (anatase type)","","- N O Ta -","- N O Ta -","- N4 O4 Ta4 -","4","0.125","","Lüdtke, Tobias; Schmidt, Alexander; Göbel, Caren; Fischer, Anna; Becker, Nils; Reimann, Christoph; Bredow, Thomas; Dronskowski, Richard; Lerch, Martin","Synthesis and Crystal Structure of δ-TaON, a Metastable Polymorph of Tantalum Oxide Nitride.","Inorganic chemistry","2014","53","21","11691","11698","10.1021/ic501726m","powder diffraction","x-ray","1.54187","CuKα","","0.0073","","","","","","","0.0141","1.75","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341308","14.225","0.003","17.837","0.004","18.94","0.004","77.399","0.018","75.13","0.015","83.9","0.016","4526.4","1.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H76 N12 Ni2 O8 Pd2 -","- C84 H76 N12 Ni2 O8 Pd2 -","- C168 H152 N24 Ni4 O16 Pd4 -","2","1","","Khaledi, Hamid; Olmstead, Marilyn M.; Fukuda, Takamitsu; Mohd Ali, Hapipah","Heterometallic Pd(II)-Ni(II) Complexes with meso-Substituted Dibenzotetraaza[14]annulene: Double C-H Bond Activation and Formation of a Rectangular Tetradibenzotetraaza[14]annulene.","Inorganic chemistry","2014","53","21","11348","11350","10.1021/ic5019828","","","0.71073","MoKα","","0.1684","0.0691","","","0.1387","0.1723","","","","","","0.88","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341309","16.0622","0.0004","17.457","0.0004","19.4946","0.0005","109.445","0.001","97.235","0.001","107.472","0.001","4759.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H76 N12 Ni2 O8 Pd2 -","- C84 H76 N12 Ni2 O8 Pd2 -","- C168 H152 N24 Ni4 O16 Pd4 -","2","1","","Khaledi, Hamid; Olmstead, Marilyn M.; Fukuda, Takamitsu; Mohd Ali, Hapipah","Heterometallic Pd(II)-Ni(II) Complexes with meso-Substituted Dibenzotetraaza[14]annulene: Double C-H Bond Activation and Formation of a Rectangular Tetradibenzotetraaza[14]annulene.","Inorganic chemistry","2014","53","21","11348","11350","10.1021/ic5019828","","","0.71073","MoKα","","0.0822","0.0447","","","0.0972","0.1113","","","","","","0.942","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341310","28.826","0.004","11.2048","0.0015","27.917","0.004","90","","112.213","0.002","90","","8348","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H100 N12 Ni2 O12 Pd2 -","- C96 H100 N12 Ni2 O12 Pd2 -","- C384 H400 N48 Ni8 O48 Pd8 -","4","0.5","","Khaledi, Hamid; Olmstead, Marilyn M.; Fukuda, Takamitsu; Mohd Ali, Hapipah","Heterometallic Pd(II)-Ni(II) Complexes with meso-Substituted Dibenzotetraaza[14]annulene: Double C-H Bond Activation and Formation of a Rectangular Tetradibenzotetraaza[14]annulene.","Inorganic chemistry","2014","53","21","11348","11350","10.1021/ic5019828","","","0.71073","MoKα","","0.0749","0.0418","","","0.0799","0.0915","","","","","","1.013","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341311","17.0275","0.001","17.1072","0.001","18.7082","0.0011","96.944","0.003","112.56","0.003","112.738","0.003","4403.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C170.6 H157.2 N24 Ni4 O6.2 Pd4 -","- C170.6 H157.2 N24 Ni4 O6.2 Pd4 -","- C170.6 H157.2 N24 Ni4 O6.2 Pd4 -","1","0.5","","Khaledi, Hamid; Olmstead, Marilyn M.; Fukuda, Takamitsu; Mohd Ali, Hapipah","Heterometallic Pd(II)-Ni(II) Complexes with meso-Substituted Dibenzotetraaza[14]annulene: Double C-H Bond Activation and Formation of a Rectangular Tetradibenzotetraaza[14]annulene.","Inorganic chemistry","2014","53","21","11348","11350","10.1021/ic5019828","","","0.7749","","","0.1088","0.0764","","","0.222","0.2546","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341312","8.2552","0.0007","10.1594","0.0009","12.6455","0.0011","68.371","0.002","83.963","0.002","81.757","0.002","974.11","0.15","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 N5 O6 V -","- C16 H26 N5 O6 V -","- C32 H52 N10 O12 V2 -","2","1","","Das, Chandrima; Adak, Piyali; Mondal, Satyajit; Sekiya, Ryo; Kuroda, Reiko; Gorelsky, Serge I.; Chattopadhyay, Shyamal Kumar","Synthesis, Characterization, X-ray Crystal Structure, DFT Calculations, and Catalytic Properties of a Dioxidovanadium(V) Complex Derived from Oxamohydrazide and Pyridoxal: A Model Complex of Vanadate-Dependent Bromoperoxidase.","Inorganic chemistry","2014","53","21","11426","11437","10.1021/ic501216d","","x-ray","0.71073","MoKα","","0.0579","0.0509","","","0.1295","0.1351","","","","","","1.071","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341313","11.8901","0.0009","13.0806","0.001","9.4327","0.0008","90","","90","","90","","1467.1","0.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H19 Br3 Fe N O -","- C9 H19 Br3 Fe N O -","- C36 H76 Br12 Fe4 N4 O4 -","4","0.5","","Nguyen, Thuy-Ai D; Wright, Ashley M.; Page, Joshua S.; Wu, Guang; Hayton, Trevor W.","Oxidation of Alcohols and Activated Alkanes with Lewis Acid-Activated TEMPO.","Inorganic chemistry","2014","53","21","11377","11387","10.1021/ic5018888","","","0.71073","MoKα","","0.0304","0.022","","","0.0441","0.0462","","","","","","1.032","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341314","12.3267","0.0009","13.7288","0.001","16.0229","0.0013","90","","90","","90","","2711.6","0.4","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C9 H19 Br2 Fe N O1.5 -","- C9 H19 Br2 Fe N O1.5 -","- C72 H152 Br16 Fe8 N8 O12 -","8","1","","Nguyen, Thuy-Ai D; Wright, Ashley M.; Page, Joshua S.; Wu, Guang; Hayton, Trevor W.","Oxidation of Alcohols and Activated Alkanes with Lewis Acid-Activated TEMPO.","Inorganic chemistry","2014","53","21","11377","11387","10.1021/ic5018888","","","0.71073","MoKα","","0.0551","0.0315","","","0.0663","0.0734","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341315","13.2646","0.0002","15.2234","0.0003","13.7942","0.0003","90","","90.4308","0.0015","90","","2785.42","0.09","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28 Cl Fe N4 O6 -","- C29 H28 Cl Fe N4 O6 -","- C116 H112 Cl4 Fe4 N16 O24 -","4","2","","Kerber, William D.; Perez, Kaitlyn A.; Ren, Chuqiao; Siegler, Maxime A.","Speciation of Ferric Phenoxide Intermediates during the Reduction of Iron(III)-μ-Oxo Dimers by Hydroquinone.","Inorganic chemistry","2014","53","21","11507","11516","10.1021/ic5014347","","","1.54178","CuKα","","0.0647","0.0599","","","0.1604","0.1669","","","","","","1.037","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341316","14.0333","0.0003","14.0985","0.0003","25.2703","0.0005","83.9425","0.0017","76.516","0.0019","60.514","0.002","4231.89","0.18","120","0.14","120","0.14","","","","","","","","6","P -1","-P 1","2","","","","- H142 Na16 O183 P4 Pd4 W30 -","- Na9 O143.76 P4 Pd4.02 W30 -","- Na9 O143.76 P4 Pd4.02 W30 -","1","0.5","","Izarova, Natalya V.; Maksimovskaya, Raisa I.; Willbold, Sabine; Kögerler, Paul","Tetrapalladium-Containing Polyoxotungstate [Pd(II)4(α-P2W15O56)2](16-): A Comparative Study.","Inorganic chemistry","2014","53","21","11778","11784","10.1021/ic502080x","","","0.71073","MoKα","","0.0781","0.0722","","","0.1829","0.1874","","","","","","1.109","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341317","12.752","0.005","23.52","0.005","19.398","0.005","90","","103.213","0.005","90","","5664","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H4.5 B F11 N1.5 Xe -","- C9 H4.5 B F11 N1.5 Xe -","- C144 H72 B16 F176 N24 Xe16 -","16","2","","Koppe, Karsten; Haner, Jamie; Mercier, Hélène P A; Frohn, Hermann-J; Schrobilgen, Gary J.","Xenon(IV)-Carbon Bond of [C6F5XeF2](+); Structural Characterization and Bonding of [C6F5XeF2][BF4], [C6F5XeF2][BF4]·2HF, and [C6F5XeF2][BF4]·nNCCH 3 (n = 1, 2); and the Fluorinating Properties of [C6F5XeF2][BF4].","Inorganic chemistry","2014","53","21","11640","11661","10.1021/ic501831j","","","0.71073","MoKα","","0.046","0.0332","","","0.0849","0.0897","","","","","","0.989","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4341318","7.4707","0.0002","19.0245","0.0005","7.7595","0.0002","90","","109.873","0.001","90","","1037.15","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(C6 F7 Xe) (B F4)","","","- C6 B F11 Xe -","- C6 B F11 Xe -","- C24 B4 F44 Xe4 -","4","1","","Koppe, Karsten; Haner, Jamie; Mercier, Hélène P A; Frohn, Hermann-J; Schrobilgen, Gary J.","Xenon(IV)-Carbon Bond of [C6F5XeF2](+); Structural Characterization and Bonding of [C6F5XeF2][BF4], [C6F5XeF2][BF4]·2HF, and [C6F5XeF2][BF4]·nNCCH 3 (n = 1, 2); and the Fluorinating Properties of [C6F5XeF2][BF4].","Inorganic chemistry","2014","53","21","11640","11661","10.1021/ic501831j","","","0.71073","MoKα","","0.0545","0.0459","","","0.0873","0.0887","","","","","","1.468","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341319","7.1022","0.0002","19.5471","0.0005","9.0812","0.0002","90","","109.966","0.0012","90","","1184.94","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(C6 F7 Xe) (B F4) (H2 F2)","","","- C6 H2 B F13 Xe -","- C6 H2 B F13 Xe -","- C24 H8 B4 F52 Xe4 -","4","1","","Koppe, Karsten; Haner, Jamie; Mercier, Hélène P A; Frohn, Hermann-J; Schrobilgen, Gary J.","Xenon(IV)-Carbon Bond of [C6F5XeF2](+); Structural Characterization and Bonding of [C6F5XeF2][BF4], [C6F5XeF2][BF4]·2HF, and [C6F5XeF2][BF4]·nNCCH 3 (n = 1, 2); and the Fluorinating Properties of [C6F5XeF2][BF4].","Inorganic chemistry","2014","53","21","11640","11661","10.1021/ic501831j","","","0.71073","MoKα","","0.0439","0.0417","","","0.0876","0.0885","","","","","","1.334","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341320","33.0772","0.0019","11.2742","0.0005","19.3467","0.0013","90","","114.095","0.007","90","","6586.1","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Fe Mo O5 P2 S2 -","- C34 H30 Fe Mo O5 P2 S2 -","- C272 H240 Fe8 Mo8 O40 P16 S16 -","8","1","","Bouchard, Solène; Clémancey, Martin; Blondin, Geneviève; Bruschi, Maurizio; Charreteur, Kévin; De Gioia, Luca; Le Roy, Christine; Pétillon, François Y; Schollhammer, Philippe; Talarmin, Jean","A New FeMo Complex as a Model of Heterobimetallic Assemblies in Natural Systems: Mössbauer and Density Functional Theory Investigations.","Inorganic chemistry","2014","53","21","11345","11347","10.1021/ic501875q","","x-ray","0.71073","MoKα","","0.0838","0.0516","","","0.1551","0.1664","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341321","7.0082","0.001","7.4298","0.001","8.8711","0.0013","111.05","0.013","92.726","0.012","114.076","0.013","383.24","0.12","123","2","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 O7 P3 W2 -","- C7 H7 O7 P3 W2 -","- C7 H7 O7 P3 W2 -","1","0.5","","Bauer, Susanne; Hunger, Cornelia; Bodensteiner, Michael; Ojo, Wilfried-Solo; Cros-Gagneux, Arnaud; Chaudret, Bruno; Nayral, Céline; Delpech, Fabien; Scheer, Manfred","Transition-metal complexes containing parent phosphine or phosphinyl ligands and their use as precursors for phosphide nanoparticles.","Inorganic chemistry","2014","53","21","11438","11446","10.1021/ic5012082","","","1.54178","CuKα","","0.0637","0.0609","","","0.1605","0.1638","","","","","","1.081","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341322","6.9134","0.0009","7.3239","0.001","8.761","0.001","111.796","0.012","92.15","0.01","115.204","0.014","362.43","0.11","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Cr2 O7 P3 -","- C7 H7 Cr2 O7 P3 -","- C7 H7 Cr2 O7 P3 -","1","0.5","","Bauer, Susanne; Hunger, Cornelia; Bodensteiner, Michael; Ojo, Wilfried-Solo; Cros-Gagneux, Arnaud; Chaudret, Bruno; Nayral, Céline; Delpech, Fabien; Scheer, Manfred","Transition-metal complexes containing parent phosphine or phosphinyl ligands and their use as precursors for phosphide nanoparticles.","Inorganic chemistry","2014","53","21","11438","11446","10.1021/ic5012082","","x-ray","1.54184","CuKα","","0.0436","0.0386","","","0.1004","0.1036","","","","","","1.053","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341323","10.932","0.002","47.919","0.01","13.137","0.003","90","","111.22","0.03","90","","6415","3","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H70 Cl2 Eu Li3 O12 Si4 -","- C60 H70 Cl2 Eu Li3 O12 Si4 -","- C240 H280 Cl8 Eu4 Li12 O48 Si16 -","4","1","","Rausch, Janek; Lorenz, Volker; Hrib, Cristian G.; Frettlöh, Vanessa; Adlung, Matthias; Wickleder, Claudia; Hilfert, Liane; Jones, Peter G.; Edelmann, Frank T.","Heterometallic europium disiloxanediolates: synthesis, structural diversity, and photoluminescence properties.","Inorganic chemistry","2014","53","21","11662","11674","10.1021/ic501837x","","","0.71073","MoKα","","0.0629","0.0377","","","0.0789","0.0852","","","","","","0.908","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341324","14.538","0.003","22.675","0.005","24.963","0.005","90","","94.64","0.03","90","","8202","3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H91 Eu Li3 O15 Si6 -","- C84 H91 Eu Li3 O15 Si6 -","- C336 H364 Eu4 Li12 O60 Si24 -","4","1","","Rausch, Janek; Lorenz, Volker; Hrib, Cristian G.; Frettlöh, Vanessa; Adlung, Matthias; Wickleder, Claudia; Hilfert, Liane; Jones, Peter G.; Edelmann, Frank T.","Heterometallic europium disiloxanediolates: synthesis, structural diversity, and photoluminescence properties.","Inorganic chemistry","2014","53","21","11662","11674","10.1021/ic501837x","","","0.71073","MoKα","","0.0506","0.0344","","","0.0819","0.0867","","","","","","0.981","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341325","14.559","0.003","20.423","0.004","33.688","0.007","90","","90","","90","","10017","4","143","2","143","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C96 H108 Cl Eu Li4 O15 Si6 -","- C96 H108 Cl Eu Li4 O15 Si6 -","- C384 H432 Cl4 Eu4 Li16 O60 Si24 -","4","1","","Rausch, Janek; Lorenz, Volker; Hrib, Cristian G.; Frettlöh, Vanessa; Adlung, Matthias; Wickleder, Claudia; Hilfert, Liane; Jones, Peter G.; Edelmann, Frank T.","Heterometallic europium disiloxanediolates: synthesis, structural diversity, and photoluminescence properties.","Inorganic chemistry","2014","53","21","11662","11674","10.1021/ic501837x","","","0.71073","MoKα","","0.0765","0.0586","","","0.1369","0.1467","","","","","","0.993","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341326","10.768","0.002","16.011","0.003","21.244","0.004","90","","101.91","0.03","90","","3583.8","1.2","133","2","133","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C72 H88 Cl Eu Li2 O12 Si4 -","- C68 H80 Cl Eu Li2 O11 Si4 -","- C136 H160 Cl2 Eu2 Li4 O22 Si8 -","2","1","","Rausch, Janek; Lorenz, Volker; Hrib, Cristian G.; Frettlöh, Vanessa; Adlung, Matthias; Wickleder, Claudia; Hilfert, Liane; Jones, Peter G.; Edelmann, Frank T.","Heterometallic europium disiloxanediolates: synthesis, structural diversity, and photoluminescence properties.","Inorganic chemistry","2014","53","21","11662","11674","10.1021/ic501837x","","","0.71073","MoKα","","0.0619","0.0511","","","0.1325","0.139","","","","","","1.043","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341327","25.334","0.005","14.541","0.003","25.145","0.005","90","","111.92","0.03","90","","8593","3","143","2","143","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C84 H90 Eu K3 O15 Si6 -","- C84 H90 Eu K3 O15 Si6 -","- C336 H360 Eu4 K12 O60 Si24 -","4","1","","Rausch, Janek; Lorenz, Volker; Hrib, Cristian G.; Frettlöh, Vanessa; Adlung, Matthias; Wickleder, Claudia; Hilfert, Liane; Jones, Peter G.; Edelmann, Frank T.","Heterometallic europium disiloxanediolates: synthesis, structural diversity, and photoluminescence properties.","Inorganic chemistry","2014","53","21","11662","11674","10.1021/ic501837x","","","0.71073","MoKα","","0.0561","0.0393","","","0.0661","0.0701","","","","","","0.927","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341328","14.3252","0.0008","16.91","0.0008","17.9276","0.0008","85.008","0.004","86.407","0.004","74.361","0.004","4162.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C144 H120 Cl2 Eu6 Li4 O20 Si12 -","- C144 H120 Cl2 Eu6 Li4 O20 Si12 -","- C144 H120 Cl2 Eu6 Li4 O20 Si12 -","1","0.5","","Rausch, Janek; Lorenz, Volker; Hrib, Cristian G.; Frettlöh, Vanessa; Adlung, Matthias; Wickleder, Claudia; Hilfert, Liane; Jones, Peter G.; Edelmann, Frank T.","Heterometallic europium disiloxanediolates: synthesis, structural diversity, and photoluminescence properties.","Inorganic chemistry","2014","53","21","11662","11674","10.1021/ic501837x","","","1.54184","CuKα","","0.0753","0.0417","","","0.089","0.0971","","","","","","0.839","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4341329","16.0349","0.0017","4.8622","0.0005","21.49","0.002","90","","90.552","0.009","90","","1675.4","0.3","102","2","102","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H26 N6 O6 -","- C12 H26 N6 O6 -","- C48 H104 N24 O24 -","4","0.5","","Tziouris, Petros A.; Tsiafoulis, Constantinos G.; Vlasiou, Manolis; Miras, Haralampos N.; Sigalas, Michael P.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Interaction of Chromium(III) with a N,N'-Disubstituted Hydroxylamine-(diamido) Ligand: A Combined Experimental and Theoretical Study.","Inorganic chemistry","2014","53","21","11404","11414","10.1021/ic501778d","","","0.71073","MoKα","","0.0652","0.0538","","","0.171","0.1799","","","","","","1.152","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341330","14.8275","0.0005","14.8275","0.0005","10.11","0.0003","90","","90","","90","","2222.73","0.12","150","0.1","150","0.1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C12 H26 Cl3 Cr N6 O7 -","- C12 H26 Cl3 Cr N6 O7 -","- C48 H104 Cl12 Cr4 N24 O28 -","4","0.5","","Tziouris, Petros A.; Tsiafoulis, Constantinos G.; Vlasiou, Manolis; Miras, Haralampos N.; Sigalas, Michael P.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Interaction of Chromium(III) with a N,N'-Disubstituted Hydroxylamine-(diamido) Ligand: A Combined Experimental and Theoretical Study.","Inorganic chemistry","2014","53","21","11404","11414","10.1021/ic501778d","","","0.71073","MoKα","","0.0705","0.0511","","","0.13","0.1433","","","","","","1.068","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341331","24.68792","0.00011","19.45652","0.0001","9.75336","0.00004","90","","96.6302","0.0004","90","","4653.61","0.04","90","0.6","90","0.6","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H68 Co2 N2 O13 -","- C40 H68 Co2 N2 O13 -","- C160 H272 Co8 N8 O52 -","4","0.5","","Overgaard, Jacob; Walsh, James P. S.; Hathwar, Venkatesha R.; Jørgensen, Mads R V; Hoffman, Christina; Platts, Jamie A.; Piltz, Ross; Winpenny, Richard E. P.","Relationships between Electron Density and Magnetic Properties in Water-Bridged Dimetal Complexes.","Inorganic chemistry","2014","53","21","11531","11539","10.1021/ic501411w","","","0.7107","MoKα","","0.025","0.018","","","","0.042","","","","","","1.069","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341332","24.68792","0.00011","19.45652","0.0001","9.75336","0.00004","90","","96.6302","0.0004","90","","4653.61","0.04","90","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H64 Co2 D4 N2 O13 -","- C40 H64 Co2 D4 N2 O13 -","- C160 H256 Co8 D16 N8 O52 -","4","0.5","","Overgaard, Jacob; Walsh, James P. S.; Hathwar, Venkatesha R.; Jørgensen, Mads R V; Hoffman, Christina; Platts, Jamie A.; Piltz, Ross; Winpenny, Richard E. P.","Relationships between Electron Density and Magnetic Properties in Water-Bridged Dimetal Complexes.","Inorganic chemistry","2014","53","21","11531","11539","10.1021/ic501411w","","","","neutrons","","0.1367","0.0599","","","0.128","0.1581","","","","","","0.963","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341333","24.5019","0.0002","19.465","0.0001","9.779","0.0001","90","","96.499","0.001","90","","4633.92","0.07","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H68 N2 Ni2 O13 -","- C40 H68 N2 Ni2 O13 -","- C160 H272 N8 Ni8 O52 -","4","0.5","","Overgaard, Jacob; Walsh, James P. S.; Hathwar, Venkatesha R.; Jørgensen, Mads R V; Hoffman, Christina; Platts, Jamie A.; Piltz, Ross; Winpenny, Richard E. P.","Relationships between Electron Density and Magnetic Properties in Water-Bridged Dimetal Complexes.","Inorganic chemistry","2014","53","21","11531","11539","10.1021/ic501411w","","","0.7107","MoKα","","0.045","0.022","","","","0.054","","","","","","1.412","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341334","24.465","","19.46","","9.754","","90","","96.35","","90","","4615.28","","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H136 N4 Ni4 O28 -","- C80 H136 N4 Ni4 O26 -","- C160 H272 N8 Ni8 O52 -","2","0.25","","Overgaard, Jacob; Walsh, James P. S.; Hathwar, Venkatesha R.; Jørgensen, Mads R V; Hoffman, Christina; Platts, Jamie A.; Piltz, Ross; Winpenny, Richard E. P.","Relationships between Electron Density and Magnetic Properties in Water-Bridged Dimetal Complexes.","Inorganic chemistry","2014","53","21","11531","11539","10.1021/ic501411w","","","0.7","","","0.0813","0.0812","","","0.1203","0.1204","","","","","","1.155","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341335","11.8066","0.0009","17.9402","0.0015","17.4153","0.0014","90","","107.923","0.005","90","","3509.8","0.5","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C76 H92 N2 P2 S2 -","- C64 H64 N2 P2 S2 -","- C128 H128 N4 P4 S4 -","2","0.5","","Hinz, Alexander; Schulz, Axel; Seidel, Wolfram W.; Villinger, Alexander","A new class of azadipnictiridines generated by an unusual rearrangement reaction.","Inorganic chemistry","2014","53","21","11682","11690","10.1021/ic501905v","","","0.71073","MoKα","","0.15","0.0768","","","0.187","0.2082","","","","","","0.922","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341336","11.416","0.0004","12.281","0.0005","21.1403","0.0009","76.361","0.002","80.249","0.002","76.93","0.002","2784.51","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H67 N2 P2 S2 -","- C67 H67 N2 P2 S2 -","- C134 H134 N4 P4 S4 -","2","1","","Hinz, Alexander; Schulz, Axel; Seidel, Wolfram W.; Villinger, Alexander","A new class of azadipnictiridines generated by an unusual rearrangement reaction.","Inorganic chemistry","2014","53","21","11682","11690","10.1021/ic501905v","","","0.71073","MoKα","","0.0891","0.0502","","","0.114","0.1355","","","","","","1.017","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341337","12.8745","0.0016","43.059","0.005","21.537","0.003","90","","99.284","0.006","90","","11783","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 N2 P2 S2 Si2 -","- C60 H76 N2 P2 S2 Si2 -","- C480 H608 N16 P16 S16 Si16 -","8","2","","Hinz, Alexander; Schulz, Axel; Seidel, Wolfram W.; Villinger, Alexander","A new class of azadipnictiridines generated by an unusual rearrangement reaction.","Inorganic chemistry","2014","53","21","11682","11690","10.1021/ic501905v","","","0.71073","MoKα","","0.1177","0.0647","","","0.1422","0.1665","","","","","","1.021","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341338","12.2089","0.0006","14.0606","0.0007","20.0312","0.0011","79.744","0.003","79.54","0.003","68.269","0.002","3118","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H82 N2 P2 S2 Si2 -","- C66 H82 N2 P2 S2 Si2 -","- C132 H164 N4 P4 S4 Si4 -","2","1","","Hinz, Alexander; Schulz, Axel; Seidel, Wolfram W.; Villinger, Alexander","A new class of azadipnictiridines generated by an unusual rearrangement reaction.","Inorganic chemistry","2014","53","21","11682","11690","10.1021/ic501905v","","","0.71073","MoKα","","0.069","0.0445","","","0.1114","0.1274","","","","","","1.027","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341339","12.5531","0.0005","21.0733","0.0008","15.9788","0.0006","90","","106.707","0.002","90","","4048.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H52 N2 P2 -","- C50 H52 N2 P2 -","- C200 H208 N8 P8 -","4","1","","Hinz, Alexander; Schulz, Axel; Seidel, Wolfram W.; Villinger, Alexander","A new class of azadipnictiridines generated by an unusual rearrangement reaction.","Inorganic chemistry","2014","53","21","11682","11690","10.1021/ic501905v","","","0.71073","MoKα","","0.0954","0.0521","","","0.1179","0.1402","","","","","","1.026","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341340","22.6927","0.0016","8.6104","0.0006","23.2114","0.0015","90","","111.371","0.003","90","","4223.5","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 N2 P2 -","- C50 H52 N2 P2 -","- C200 H208 N8 P8 -","4","1","","Hinz, Alexander; Schulz, Axel; Seidel, Wolfram W.; Villinger, Alexander","A new class of azadipnictiridines generated by an unusual rearrangement reaction.","Inorganic chemistry","2014","53","21","11682","11690","10.1021/ic501905v","","","0.71073","MoKα","","0.0773","0.0474","","","0.1119","0.13","","","","","","1.014","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341341","11.954","0.003","21.216","0.006","23.527","0.006","105.849","0.014","90.998","0.013","94.283","0.013","5720","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H67 As2 N2 S2 -","- C67 H67 As2 N2 S2 -","- C268 H268 As8 N8 S8 -","4","2","","Hinz, Alexander; Schulz, Axel; Seidel, Wolfram W.; Villinger, Alexander","A new class of azadipnictiridines generated by an unusual rearrangement reaction.","Inorganic chemistry","2014","53","21","11682","11690","10.1021/ic501905v","","","0.71073","MoKα","","0.1044","0.0556","","","0.1315","0.1547","","","","","","1.019","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341342","12.6202","0.0011","21.1556","0.0017","16.0917","0.0014","90","","108.018","0.005","90","","4085.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H52 As2 N2 -","- C50 H52 As2 N2 -","- C200 H208 As8 N8 -","4","1","","Hinz, Alexander; Schulz, Axel; Seidel, Wolfram W.; Villinger, Alexander","A new class of azadipnictiridines generated by an unusual rearrangement reaction.","Inorganic chemistry","2014","53","21","11682","11690","10.1021/ic501905v","","","0.71073","MoKα","","0.0873","0.0438","","","0.0927","0.1088","","","","","","1.007","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341343","12.6042","0.0004","21.1001","0.0007","16.1181","0.0005","90","","107.86","0.002","90","","4080","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49.62 H52 As1.81 Cl0.19 N2 -","- C49.6216 H52 As1.8108 Cl0.1892 N2 -","- C198.486 H208 As7.2432 Cl0.7568 N8 -","4","1","","Hinz, Alexander; Schulz, Axel; Seidel, Wolfram W.; Villinger, Alexander","A new class of azadipnictiridines generated by an unusual rearrangement reaction.","Inorganic chemistry","2014","53","21","11682","11690","10.1021/ic501905v","","","0.71073","MoKα","","0.1094","0.0469","","","0.0817","0.0984","","","","","","1.009","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341344","22.8487","0.0019","8.5162","0.0007","23.363","0.002","90","","111.181","0.005","90","","4239","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 As2 N2 -","- C50 H52 As2 N2 -","- C200 H208 As8 N8 -","4","1","","Hinz, Alexander; Schulz, Axel; Seidel, Wolfram W.; Villinger, Alexander","A new class of azadipnictiridines generated by an unusual rearrangement reaction.","Inorganic chemistry","2014","53","21","11682","11690","10.1021/ic501905v","","","0.71073","MoKα","","0.1179","0.0503","","","0.0931","0.1146","","","","","","1","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341345","6.1926","0.0004","16.3109","0.001","21.7617","0.0016","110.035","0.0016","97.032","0.002","93.212","0.002","2038.2","0.2","250","1","250","1","","","","","","","","5","P -1","-P 1","2","","[Rh(3,6-DBSQ-4,5-(N,N-DEN))(CO)2]","","- C20 H26 N2 O4 Rh -","- C20 H26 N2 O4 Rh -","- C80 H104 N8 O16 Rh4 -","4","2","","Mitsumi, Minoru; Ohtake, Shoji; Kakuno, Yuki; Komatsu, Yuuki; Ozawa, Yoshiki; Toriumi, Koshiro; Yasuda, Nobuhiro; Azuma, Nobuaki; Miyazaki, Yuji","Multifunctional one-dimensional rhodium(i)-semiquinonato complex: substituent effects on crystal structures and solid-state properties.","Inorganic chemistry","2014","53","21","11710","11720","10.1021/ic5019532","","","0.83077","synchrotron","","0.0724","0.0493","","","0.1284","0.1522","","","","","","1.057","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341346","6.112","0.001","29.386","0.001","21.7","0.001","90","","93.857","0.002","90","","3888.6","0.7","240","1","240","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Rh(3,6-DBSQ-4,5-PDO)(CO)2]","","- C19 H24 O6 Rh -","- C19 H24 O6 Rh -","- C152 H192 O48 Rh8 -","8","2","","Mitsumi, Minoru; Ohtake, Shoji; Kakuno, Yuki; Komatsu, Yuuki; Ozawa, Yoshiki; Toriumi, Koshiro; Yasuda, Nobuhiro; Azuma, Nobuaki; Miyazaki, Yuji","Multifunctional one-dimensional rhodium(i)-semiquinonato complex: substituent effects on crystal structures and solid-state properties.","Inorganic chemistry","2014","53","21","11710","11720","10.1021/ic5019532","","","0.5603","synchrotron","","0.058","0.0417","","","0.1093","0.1187","","","","","","1.081","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341347","6.006","0.001","29.336","0.001","21.643","0.001","90","","94.592","0.003","90","","3801.1","0.7","180","1","180","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Rh(3,6-DBSQ-4,5-PDO)(CO)2]","","- C19 H24 O6 Rh -","- C19 H24 O6 Rh -","- C152 H192 O48 Rh8 -","8","2","","Mitsumi, Minoru; Ohtake, Shoji; Kakuno, Yuki; Komatsu, Yuuki; Ozawa, Yoshiki; Toriumi, Koshiro; Yasuda, Nobuhiro; Azuma, Nobuaki; Miyazaki, Yuji","Multifunctional one-dimensional rhodium(i)-semiquinonato complex: substituent effects on crystal structures and solid-state properties.","Inorganic chemistry","2014","53","21","11710","11720","10.1021/ic5019532","","","0.5603","synchrotron","","0.0556","0.0477","","","0.125","0.134","","","","","","1.138","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341348","19.8642","0.0016","13.1133","0.0011","12.7539","0.001","90","","116.072","0.004","90","","2984.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cu N4 O2 S2 -","- C34 H34 Cu N4 O2 S2 -","- C136 H136 Cu4 N16 O8 S8 -","4","0.5","","Sharma, Anuj K.; Kim, Jaekwang; Prior, John T.; Hawco, Nicholas J.; Rath, Nigam P.; Kim, Jungsu; Mirica, Liviu M.","Small Bifunctional Chelators That Do Not Disaggregate Amyloid β Fibrils Exhibit Reduced Cellular Toxicity.","Inorganic chemistry","2014","53","21","11367","11376","10.1021/ic500926c","","","0.71073","MoKα","","0.0723","0.0493","","","0.1206","0.1378","","","","","","1.031","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341349","25.5583","0.0011","25.5583","0.0011","15.3021","0.0007","90","","90","","90","","9995.7","0.8","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C23 H33 Cl2 N3 O S Zn -","- C23 H33 Cl2 N3 O S Zn -","- C368 H528 Cl32 N48 O16 S16 Zn16 -","16","1","","Sharma, Anuj K.; Kim, Jaekwang; Prior, John T.; Hawco, Nicholas J.; Rath, Nigam P.; Kim, Jungsu; Mirica, Liviu M.","Small Bifunctional Chelators That Do Not Disaggregate Amyloid β Fibrils Exhibit Reduced Cellular Toxicity.","Inorganic chemistry","2014","53","21","11367","11376","10.1021/ic500926c","","","0.71073","MoKα","","0.0305","0.023","","","0.0553","0.0594","","","","","","1.056","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341350","8.3782","0.0003","22.6181","0.0008","12.9135","0.0004","90","","91.914","0.002","90","","2445.73","0.14","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cu N2 O4 S2 -","- C28 H20 Cu N2 O4 S2 -","- C112 H80 Cu4 N8 O16 S8 -","4","1","","Sharma, Anuj K.; Kim, Jaekwang; Prior, John T.; Hawco, Nicholas J.; Rath, Nigam P.; Kim, Jungsu; Mirica, Liviu M.","Small Bifunctional Chelators That Do Not Disaggregate Amyloid β Fibrils Exhibit Reduced Cellular Toxicity.","Inorganic chemistry","2014","53","21","11367","11376","10.1021/ic500926c","","","0.71073","MoKα","","0.1264","0.0534","","","0.1142","0.1474","","","","","","1.01","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341351","8.3763","0.0012","11.8244","0.0017","16.462","0.003","76.396","0.008","85.371","0.009","69.781","0.008","1487.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C23.5 H33.75 B2 Cl F8 N6 O0.19 Pd -","- C23.5 H33.434 B2 Cl F8 N6 O0.217 Pd -","- C47 H66.868 B4 Cl2 F16 N12 O0.434 Pd2 -","2","1","","Therrien, Jeffrey A.; Wolf, Michael O.; Patrick, Brian O.","Electrocatalytic Reduction of CO2 with Palladium Bis-N-heterocyclic Carbene Pincer Complexes.","Inorganic chemistry","2014","","","141022083740000","","10.1021/ic502056w","","x-ray","0.71073","MoKα","","0.0667","0.0468","","","0.1012","0.111","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341352","17.793","0.002","15.172","0.001","17.927","0.002","90","","113.34","0.01","90","","4443.5","0.8","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H48 Ba Cu4 I6 O10 -","- C22 H48 Ba Cu4 I6 O10 -","- C88 H192 Ba4 Cu16 I24 O40 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?","Inorganic chemistry","2014","53","21","11721","11731","10.1021/ic501963y","","","0.7107","MoKα","","0.1221","0.0764","","0.1602","0.1289","0.1602","","","","","","0.9898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341353","11.6295","0.0005","13.8839","0.0007","24.602","0.001","90","","96.339","0.004","90","","3948","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H38 Ba Cu4 I6 O7 S6 -","- C12 H38 Ba Cu4 I6 O7 S6 -","- C48 H152 Ba4 Cu16 I24 O28 S24 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?","Inorganic chemistry","2014","53","21","11721","11731","10.1021/ic501963y","","","0.7107","MoKα","","0.119","0.1134","","0.2025","0.2016","0.2025","","","","","","0.972","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341354","10.9605","0.0006","13.4534","0.0007","13.4631","0.0007","89.678","0.004","89.152","0.004","89.445","0.004","1984.87","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H44 Ba Cu2 I4 O10 -","- C20 H44 Ba Cu2 I4 O10 -","- C40 H88 Ba2 Cu4 I8 O20 -","2","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?","Inorganic chemistry","2014","53","21","11721","11731","10.1021/ic501963y","","","0.7107","MoKα","","0.0998","0.0905","","0.2262","0.2227","0.2262","","","","","","0.9846","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341355","16.2737","0.0006","25.412","0.001","21.1218","0.0008","90","","92.8","0.003","90","","8724.4","0.6","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H78 Ag7 Ba2 I11 O13 S13 -","- C26 H78 Ag7 Ba2 I11 O13 S13 -","- C104 H312 Ag28 Ba8 I44 O52 S52 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?","Inorganic chemistry","2014","53","21","11721","11731","10.1021/ic501963y","","","0.7107","MoKα","","0.0739","0.0498","","0.0886","0.0721","0.0886","","","","","","1.0079","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341356","11.6196","0.0007","13.8378","0.0007","24.514","0.001","90","","95.817","0.005","90","","3921.3","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 Ba Cu4 I6 O6 S6 -","- C12 H36 Ba Cu4 I6 O6 S6 -","- C48 H144 Ba4 Cu16 I24 O24 S24 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?","Inorganic chemistry","2014","53","21","11721","11731","10.1021/ic501963y","","","0.7107","MoKα","","0.0645","0.0502","","0.1068","0.0946","0.1068","","","","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341357","14.1172","0.0006","21.1779","0.0009","15.9279","0.0007","90","","95.517","0.004","90","","4739.9","0.4","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H56 Ag Ba I5 O12 Pb -","- C26 H56 Ag Ba I5 O12 Pb -","- C104 H224 Ag4 Ba4 I20 O48 Pb4 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?","Inorganic chemistry","2014","53","21","11721","11731","10.1021/ic501963y","","","0.7107","MoKα","","0.0621","0.0439","","0.0788","0.0659","0.0788","","","","","","0.9804","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341358","13.103","0.0002","24.9518","0.0005","26.3743","0.0006","90","","91.368","0.002","90","","8620.4","0.3","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H94 Ag7 Ba2 Cu I12 O21 -","- C42 H94 Ag7 Ba2 Cu I12 O21 -","- C168 H376 Ag28 Ba8 Cu4 I48 O84 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?","Inorganic chemistry","2014","53","21","11721","11731","10.1021/ic501963y","","","0.7107","MoKα","","0.0807","0.0702","","0.169","0.1665","0.169","","","","","","1.0005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341359","11.6736","0.0008","14.0621","0.0009","24.527","0.002","90","","98.095","0.007","90","","3986.1","0.5","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 Ag2 Ba Cu2 I6 O6 S6 -","- C12 H36 Ag2 Ba Cu2 I6 O6 S6 -","- C48 H144 Ag8 Ba4 Cu8 I24 O24 S24 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?","Inorganic chemistry","2014","53","21","11721","11731","10.1021/ic501963y","","","0.7107","MoKα","","0.0662","0.0493","","0.1338","0.117","0.1338","","","","","","0.9516","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341360","25.061","0.001","14.2632","0.0008","25.987","0.002","90","","103.035","0.007","90","","9049.7","1","110","","110","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C28 H87 Ag6 Ba2 I11 O16 S14 -","- C28 H87 Ag6 Ba2 I11 O16 S14 -","- C112 H348 Ag24 Ba8 I44 O64 S56 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?","Inorganic chemistry","2014","53","21","11721","11731","10.1021/ic501963y","","","0.7107","MoKα","","0.066","0.0574","","0.1559","0.143","0.1559","","","","","","0.9949","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341361","17.2402","0.0008","18.859","0.001","22.504","0.001","90","","93.897","0.004","90","","7299.9","0.6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H88 Ag4 Ba2 I8 O20 -","- C40 H88 Ag4 Ba2 I8 O20 -","- C160 H352 Ag16 Ba8 I32 O80 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?","Inorganic chemistry","2014","53","21","11721","11731","10.1021/ic501963y","","","0.7107","MoKα","","0.0957","0.0668","","0.1312","0.1117","0.1312","","","","","","0.9432","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341362","13.0917","0.0004","24.9736","0.0007","26.3839","0.0008","90","","91.062","0.003","90","","8624.7","0.4","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H94 Ag8 Ba2 I12 O21 -","- C42 H94 Ag8 Ba2 I12 O21 -","- C168 H376 Ag32 Ba8 I48 O84 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?","Inorganic chemistry","2014","53","21","11721","11731","10.1021/ic501963y","","","0.7107","MoKα","","0.119","0.1021","","0.2467","0.242","0.2467","","","","","","1.0474","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341363","11.9653","0.0006","12.7276","0.0007","15.6224","0.0008","82.814","0.003","74.997","0.002","63.955","0.002","2064.48","0.19","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H43 I N5 Ru -","- C37 H43 I N5 Ru -","- C74 H86 I2 N10 Ru2 -","2","1","","Yoo, Hyojong; Berry, Donald H.","Synthesis of Tridentate 2,6-Bis(imino)pyridyl Ruthenium(II) Complexes with N-Heterocyclic Carbene Ligands: Activation of Imidazolium Salts.","Inorganic chemistry","2014","53","21","11447","11456","10.1021/ic501248c","","","0.71069","MoKα","","0.1365","0.1216","","","0.3744","0.4116","","","","","","1.973","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341364","10.2854","0.0008","12.4186","0.0011","15.7211","0.0013","78.672","0.006","75.45","0.006","77.123","0.006","1873.7","0.3","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C39 H47 N5 O3 Ru S -","- C39 H47 N5 O3 Ru S -","- C78 H94 N10 O6 Ru2 S2 -","2","1","","Yoo, Hyojong; Berry, Donald H.","Synthesis of Tridentate 2,6-Bis(imino)pyridyl Ruthenium(II) Complexes with N-Heterocyclic Carbene Ligands: Activation of Imidazolium Salts.","Inorganic chemistry","2014","53","21","11447","11456","10.1021/ic501248c","","","0.71069","MoKα","","0.0565","0.0489","","","0.1182","0.125","","","","","","1.067","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341365","8.0362","0.0005","13.8659","0.0005","17.5403","0.0009","67.466","0.004","87.847","0.005","77.184","0.004","1757.86","0.17","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 Cl N5 Ru -","- C38 H46 Cl N5 Ru -","- C76 H92 Cl2 N10 Ru2 -","2","1","","Yoo, Hyojong; Berry, Donald H.","Synthesis of Tridentate 2,6-Bis(imino)pyridyl Ruthenium(II) Complexes with N-Heterocyclic Carbene Ligands: Activation of Imidazolium Salts.","Inorganic chemistry","2014","53","21","11447","11456","10.1021/ic501248c","","","0.71069","MoKα","","0.0479","0.0392","","","0.0908","0.0976","","","","","","1.077","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341366","13.7435","0.0014","26.138","0.003","21.02","0.002","90","","90.337","0.002","90","","7550.8","1.4","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C78 H109 Co2 N2 Na3 O13 -","- C78 H109 Co2 N2 Na3 O13 -","- C312 H436 Co8 N8 Na12 O52 -","4","2","","Martín, Carmen; Whiteoak, Christopher J.; Martin, Eddy; Escudero-Adán, Eduardo C; Galán-Mascarós, José Ramón; Kleij, Arjan W.","Synthesis and Structural Features of Co(II) and Co(III) Complexes Supported by Aminotrisphenolate Ligand Scaffolds.","Inorganic chemistry","2014","53","21","11675","11681","10.1021/ic501883z","","","0.71073","MoKα","","0.046","0.037","","","0.0916","0.0972","","","","","","1.017","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341367","8.4908","0.0008","21.387","0.002","17.0056","0.0016","90","","90.525","0.004","90","","3088","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 Co N3 O3 -","- C37 H38 Co N3 O3 -","- C148 H152 Co4 N12 O12 -","4","1","","Martín, Carmen; Whiteoak, Christopher J.; Martin, Eddy; Escudero-Adán, Eduardo C; Galán-Mascarós, José Ramón; Kleij, Arjan W.","Synthesis and Structural Features of Co(II) and Co(III) Complexes Supported by Aminotrisphenolate Ligand Scaffolds.","Inorganic chemistry","2014","53","21","11675","11681","10.1021/ic501883z","","","0.71073","MoKα","","0.074","0.0417","","","0.0917","0.1032","","","","","","1.049","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341368","14.3608","0.0006","24.8788","0.0013","16.2469","0.0007","90","","90.053","0.002","90","","5804.7","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C62 H76 Co N2 O7 -","- C62.0002 H76.0008 Co N2 O7.0002 -","- C248.001 H304.003 Co4 N8 O28.0008 -","4","1","","Martín, Carmen; Whiteoak, Christopher J.; Martin, Eddy; Escudero-Adán, Eduardo C; Galán-Mascarós, José Ramón; Kleij, Arjan W.","Synthesis and Structural Features of Co(II) and Co(III) Complexes Supported by Aminotrisphenolate Ligand Scaffolds.","Inorganic chemistry","2014","53","21","11675","11681","10.1021/ic501883z","","","0.71073","MoKα","","0.1284","0.0862","","","0.2239","0.261","","","","","","1.021","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341369","18.261","0.006","15.916","0.005","18.739","0.006","90","","115.374","0.008","90","","4921","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 Co N3 O3 -","- C52 H76 Co N3 O3 -","- C208 H304 Co4 N12 O12 -","4","1","","Martín, Carmen; Whiteoak, Christopher J.; Martin, Eddy; Escudero-Adán, Eduardo C; Galán-Mascarós, José Ramón; Kleij, Arjan W.","Synthesis and Structural Features of Co(II) and Co(III) Complexes Supported by Aminotrisphenolate Ligand Scaffolds.","Inorganic chemistry","2014","53","21","11675","11681","10.1021/ic501883z","","","0.71073","MoKα","","0.2301","0.072","","","0.1362","0.2112","","","","","","0.964","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341370","14.1572","0.0011","13.5823","0.0012","17.1867","0.0017","90","","107.672","0.003","90","","3148.8","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H79 Co N3 O5 P2 -","- C73 H79 Co N3 O5 P2 -","- C146 H158 Co2 N6 O10 P4 -","2","1","","Martín, Carmen; Whiteoak, Christopher J.; Martin, Eddy; Escudero-Adán, Eduardo C; Galán-Mascarós, José Ramón; Kleij, Arjan W.","Synthesis and Structural Features of Co(II) and Co(III) Complexes Supported by Aminotrisphenolate Ligand Scaffolds.","Inorganic chemistry","2014","53","21","11675","11681","10.1021/ic501883z","","","0.71073","MoKα","","0.0549","0.0425","","","0.0943","0.1005","","","","","","1.026","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341371","18.573","0.004","17.652","0.004","22.194","0.004","90","","90","","90","","7276","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H44 Co N2 O7 -","- C43 H44 Co N2 O7 -","- C344 H352 Co8 N16 O56 -","8","1","","Martín, Carmen; Whiteoak, Christopher J.; Martin, Eddy; Escudero-Adán, Eduardo C; Galán-Mascarós, José Ramón; Kleij, Arjan W.","Synthesis and Structural Features of Co(II) and Co(III) Complexes Supported by Aminotrisphenolate Ligand Scaffolds.","Inorganic chemistry","2014","53","21","11675","11681","10.1021/ic501883z","","","0.71073","MoKα","","0.1134","0.0633","","","0.1461","0.169","","","","","","1.06","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341372","11.4464","0.0006","12.342","0.0006","15.9066","0.0007","108.305","0.002","99.116","0.002","104.538","0.002","1995.11","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 Cl2 Co N5 O3 -","- C42 H52 Cl2 Co N5 O3 -","- C84 H104 Cl4 Co2 N10 O6 -","2","1","","Martín, Carmen; Whiteoak, Christopher J.; Martin, Eddy; Escudero-Adán, Eduardo C; Galán-Mascarós, José Ramón; Kleij, Arjan W.","Synthesis and Structural Features of Co(II) and Co(III) Complexes Supported by Aminotrisphenolate Ligand Scaffolds.","Inorganic chemistry","2014","53","21","11675","11681","10.1021/ic501883z","","","0.71073","MoKα","","0.0586","0.0431","","","0.0999","0.1072","","","","","","1.039","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341373","8.7224","0.0005","10.864","0.0009","17.7067","0.0014","77.495","0.004","79.296","0.004","76.349","0.004","1575.7","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H44 N4 -","- C36 H44 N4 -","- C72 H88 N8 -","2","1","","Zhou, You-Yun; Hartline, Douglas R.; Steiman, Talia J.; Fanwick, Phillip E.; Uyeda, Christopher","Dinuclear nickel complexes in five States of oxidation using a redox-active ligand.","Inorganic chemistry","2014","53","21","11770","11777","10.1021/ic5020785","","","0.71073","MoKα","","0.1059","0.0516","","","0.1182","0.1385","","","","","","0.966","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341374","37.6344","0.0014","37.6344","0.0014","14.6022","0.001","90","","90","","120","","17911","1.5","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42 H50 N4 Ni2 -","- C42 H50 N4 Ni2 -","- C756 H900 N72 Ni36 -","18","1","","Zhou, You-Yun; Hartline, Douglas R.; Steiman, Talia J.; Fanwick, Phillip E.; Uyeda, Christopher","Dinuclear nickel complexes in five States of oxidation using a redox-active ligand.","Inorganic chemistry","2014","53","21","11770","11777","10.1021/ic5020785","","","1.54178","CuKα","","0.1004","0.0637","","","0.1364","0.1607","","","","","","1.034","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341375","12.3999","0.0002","18.4432","0.0004","26.8173","0.0007","90","","102.62","0.001","90","","5984.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H88 K N4 Ni2 O5 -","- C62 H88 K N4 Ni2 O5 -","- C248 H352 K4 N16 Ni8 O20 -","4","1","","Zhou, You-Yun; Hartline, Douglas R.; Steiman, Talia J.; Fanwick, Phillip E.; Uyeda, Christopher","Dinuclear nickel complexes in five States of oxidation using a redox-active ligand.","Inorganic chemistry","2014","53","21","11770","11777","10.1021/ic5020785","","","0.71073","MoKα","","0.0954","0.0691","","","0.1948","0.2155","","","","","","1.036","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341376","17.9784","0.0004","8.8225","0.0002","27.3973","0.0008","90","","106.799","0.001","90","","4160.16","0.18","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C42 H49 Br3 N4 Ni2 -","- C42 H49 Br3 N4 Ni2 -","- C168 H196 Br12 N16 Ni8 -","4","1","","Zhou, You-Yun; Hartline, Douglas R.; Steiman, Talia J.; Fanwick, Phillip E.; Uyeda, Christopher","Dinuclear nickel complexes in five States of oxidation using a redox-active ligand.","Inorganic chemistry","2014","53","21","11770","11777","10.1021/ic5020785","","","0.71073","MoKα","","0.1064","0.0523","","","0.1198","0.1362","","","","","","0.962","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341377","15.5036","0.0006","16.0481","0.0005","17.7619","0.0008","109.523","0.003","110.713","0.003","90.321","0.002","3857.3","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H47 Br N4 Ni2 -","- C39 H47 Br N4 Ni2 -","- C156 H188 Br4 N16 Ni8 -","4","2","","Zhou, You-Yun; Hartline, Douglas R.; Steiman, Talia J.; Fanwick, Phillip E.; Uyeda, Christopher","Dinuclear nickel complexes in five States of oxidation using a redox-active ligand.","Inorganic chemistry","2014","53","21","11770","11777","10.1021/ic5020785","","","1.54178","CuKα","","0.0865","0.0806","","","0.2385","0.2506","","","","","","1.027","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341378","16.8162","0.0002","16.8162","0.0002","31.4122","0.0007","90","","90","","90","","8882.9","0.2","150","2","150","2","","","","","","","","8","I 4","I 4","79","","","","- C80 H108 Br5 F6 N8 Ni4 O2 P -","- C80 H108 Br5 F6 N8 Ni4 O2 P -","- C320 H432 Br20 F24 N32 Ni16 O8 P4 -","4","0.5","","Zhou, You-Yun; Hartline, Douglas R.; Steiman, Talia J.; Fanwick, Phillip E.; Uyeda, Christopher","Dinuclear nickel complexes in five States of oxidation using a redox-active ligand.","Inorganic chemistry","2014","53","21","11770","11777","10.1021/ic5020785","","","1.54178","CuKα","","0.0554","0.0518","","","0.152","0.1604","","","","","","1.083","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341379","10.6267","0.0003","31.1603","0.0009","15.8194","0.0005","90","","100.166","0.003","90","","5156.1","0.3","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43.18 H57.95 Br2 F6 N6 Ni2 O0.79 P -","- C43.18 H57.95 Br2 F6 N6 Ni2 O0.795 P -","- C172.72 H231.8 Br8 F24 N24 Ni8 O3.18 P4 -","4","1","","Zhou, You-Yun; Hartline, Douglas R.; Steiman, Talia J.; Fanwick, Phillip E.; Uyeda, Christopher","Dinuclear nickel complexes in five States of oxidation using a redox-active ligand.","Inorganic chemistry","2014","53","21","11770","11777","10.1021/ic5020785","","","1.54178","CuKα","","0.0634","0.0544","","","0.159","0.1751","","","","","","1.068","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341381","9.5311","0.0002","19.4541","0.0006","23.6781","0.0006","93.926","0.002","91.708","0.002","98.749","0.002","4325.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H45 Cu3 N6 O6 -","- C42 H45 Cu3 N6 O6 -","- C168 H180 Cu12 N24 O24 -","4","2","","Xiao, Qiong; Zheng, Ji; Li, Mian; Zhan, Shun-Ze; Wang, Jun-Hao; Li, Dan","Mechanically triggered fluorescence/phosphorescence switching in the excimers of planar trinuclear copper(i) pyrazolate complexes.","Inorganic chemistry","2014","53","21","11604","11615","10.1021/ic5016687","","","1.54184","CuKα","","0.051","0.0396","","","0.1108","0.1219","","","","","","1.04","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341382","23.6311","0.0005","9.3745","0.0002","37.0046","0.0009","90","","90","","90","","8197.6","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H39 Cu3 N6 O6 -","- C39 H39 Cu3 N6 O6 -","- C312 H312 Cu24 N48 O48 -","8","2","","Xiao, Qiong; Zheng, Ji; Li, Mian; Zhan, Shun-Ze; Wang, Jun-Hao; Li, Dan","Mechanically triggered fluorescence/phosphorescence switching in the excimers of planar trinuclear copper(i) pyrazolate complexes.","Inorganic chemistry","2014","53","21","11604","11615","10.1021/ic5016687","","","1.54184","CuKα","","0.0722","0.0598","","","0.1722","0.1892","","","","","","1.03","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341383","37.929","0.005","9.3308","0.0009","23.607","0.002","90","","103.966","0.011","90","","8107.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 Cu3 N6 O6 -","- C39 H39 Cu3 N6 O6 -","- C312 H312 Cu24 N48 O48 -","8","2","","Xiao, Qiong; Zheng, Ji; Li, Mian; Zhan, Shun-Ze; Wang, Jun-Hao; Li, Dan","Mechanically triggered fluorescence/phosphorescence switching in the excimers of planar trinuclear copper(i) pyrazolate complexes.","Inorganic chemistry","2014","53","21","11604","11615","10.1021/ic5016687","","","0.71073","MoKα","","0.2757","0.1064","","","0.2158","0.2958","","","","","","1.008","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341384","37.7502","0.0009","9.1661","0.0002","24.2414","0.0005","90","","106.329","0.003","90","","8049.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H39 Cu3 N6 O6 -","- C39 H39 Cu3 N6 O6 -","- C312 H312 Cu24 N48 O48 -","8","1","","Xiao, Qiong; Zheng, Ji; Li, Mian; Zhan, Shun-Ze; Wang, Jun-Hao; Li, Dan","Mechanically triggered fluorescence/phosphorescence switching in the excimers of planar trinuclear copper(i) pyrazolate complexes.","Inorganic chemistry","2014","53","21","11604","11615","10.1021/ic5016687","","","1.54178","CuKα","","0.0521","0.0405","","","0.1134","0.127","","","","","","1.041","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341385","13.5374","0.0002","13.5374","0.0002","9.8247","0.0002","90","","90","","90","","1800.49","0.05","296","2","296","2","","","","","","","","5","I 4","I 4","79","","","","- C44 H28 Cl Fe N4 -","- C44 H28 Cl Fe N4 -","- C88 H56 Cl2 Fe2 N8 -","2","0.25","","Hunter, Seth C.; Smith, Brenda A.; Hoffmann, Christina M.; Wang, Xiaoping; Chen, Yu-Sheng; McIntyre, Garry J.; Xue, Zi-Ling","Intermolecular interactions in solid-state metalloporphyrins and their impacts on crystal and molecular structures.","Inorganic chemistry","2014","53","21","11552","11562","10.1021/ic5015835","","","0.71073","MoKα","","0.0338","0.0318","","","0.0872","0.0885","","","","","","1.059","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341386","13.504","0.003","13.504","0.003","9.731","0.01","90","","90","","90","","1774.5","1.9","143","2","143","2","","","","","","","","5","I 4","I 4","79","Fe(TPP)Cl","Chloro(meso-tetraphenylporphyrinato)iron(Ill)","","- C44 H28 Cl Fe N4 -","- C44 H28 Cl Fe N4 -","- C88 H56 Cl2 Fe2 N8 -","2","0.25","","Hunter, Seth C.; Smith, Brenda A.; Hoffmann, Christina M.; Wang, Xiaoping; Chen, Yu-Sheng; McIntyre, Garry J.; Xue, Zi-Ling","Intermolecular interactions in solid-state metalloporphyrins and their impacts on crystal and molecular structures.","Inorganic chemistry","2014","53","21","11552","11562","10.1021/ic5015835","","","0.71073","MoKα","","0.0543","0.0481","","","0.1396","0.1487","","","","","","1.063","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341387","13.483","0.0005","13.483","0.0005","9.6849","0.0006","90","","90","","90","","1760.63","0.14","20","2","20","2","","","","","","","","5","I 4","I 4","79","Fe(TPP)Cl","Chloro(meso-tetraphenylporphyrinato)iron(Ill)","","- C44 H28 Cl Fe N4 -","- C44 H28 Cl Fe N4 -","- C88 H56 Cl2 Fe2 N8 -","2","0.25","","Hunter, Seth C.; Smith, Brenda A.; Hoffmann, Christina M.; Wang, Xiaoping; Chen, Yu-Sheng; McIntyre, Garry J.; Xue, Zi-Ling","Intermolecular interactions in solid-state metalloporphyrins and their impacts on crystal and molecular structures.","Inorganic chemistry","2014","53","21","11552","11562","10.1021/ic5015835","","","0.41328","synchrotron","","0.0437","0.0352","","","0.1016","0.1092","","","","","","1.03","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341388","13.4761","0.0006","13.4761","0.0006","9.6889","0.0006","90","","90","","90","","1759.56","0.16","20","2","20","2","","","","","","","","5","I 4","I 4","79","Fe(TPP)Cl","Chloro(meso-tetraphenylporphyrinato)iron(Ill)","","- C44 H28 Cl Fe N4 -","- C44 H28 Cl Fe N4 -","- C88 H56 Cl2 Fe2 N8 -","2","0.25","","Hunter, Seth C.; Smith, Brenda A.; Hoffmann, Christina M.; Wang, Xiaoping; Chen, Yu-Sheng; McIntyre, Garry J.; Xue, Zi-Ling","Intermolecular interactions in solid-state metalloporphyrins and their impacts on crystal and molecular structures.","Inorganic chemistry","2014","53","21","11552","11562","10.1021/ic5015835","","","0.8388","neutron","","0.0588","0.0399","","","0.0697","0.0757","","","","","","1.137","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341389","7.793","0.004","5.379","0.003","29.962","0.015","90","","93.68","0.007","90","","1253.4","1.1","200","2","200","2","","","","","","","","7","P 1 2 1","P 2y","3","","","","- C36 H76 Br N4 O15 Pt S2 -","- C36 H76 Br N4 O15 Pt S2 -","- C36 H76 Br N4 O15 Pt S2 -","1","0.5","","Kumagai, Shohei; Iguchi, Hiroaki; Takaishi, Shinya; Breedlove, Brian K.; Yamashita, Masahiro; Matsuzaki, Hiroyuki; Okamoto, Hiroshi; Kato, Kenichi; Takata, Masaki","Continuous control of optical gaps in quasi-one-dimensional bromide-bridged platinum complexes by utilizing chemical pressure.","Inorganic chemistry","2014","53","21","11764","11769","10.1021/ic502071u","","","0.71073","MoKα","","0.0347","0.0341","","","0.0825","0.0829","","","","","","1.035","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341390","14.997","0.0018","11.678","0.0014","14.1029","0.0017","90","","104.04","0.001","90","","2396.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33.44 Cl1.56 F3 P2 Pt -","- C19 H33.442 Cl1.558 F3 P2 Pt -","- C76 H133.768 Cl6.232 F12 P8 Pt4 -","4","1","","Wickramasinghe, Lasantha A.; Sharp, Paul R.","Hydroxo Radicals, C-H Activation, and Pt-C Bond Formation from 77 K Photolysis of a Platinum(IV) Hydroxo Complex.","Inorganic chemistry","2014","","","141024153330002","","10.1021/ic502325r","","","0.71073","MoKα","","0.0287","0.0237","","","0.0522","0.054","","","","","","1.037","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341395","13.5219","0.0003","20.7471","0.0005","24.9689","0.0006","83.3777","0.0003","76.4918","0.0003","77.955","0.0003","6644.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H104.5 B2 N12 O1.25 Sm -","- C59 H104.5 B2 N12 O1.25 Sm -","- C236 H418 B8 N48 O5 Sm4 -","4","2","","Momin, Aurélien; Carter, Lee; Yang, Yi; McDonald, Robert; Essafi Née Labouille, Stéphanie; Nief, François; Del Rosal, Iker; Sella, Andrea; Maron, Laurent; Takats, Josef","To Bend or Not To Bend: Experimental and Computational Studies of Structural Preference in Ln(Tp(iPr)2)2 (Ln = Sm, Tm).","Inorganic chemistry","2014","","","141027132008003","","10.1021/ic501816v","","","0.71073","MoKα","","0.0335","0.0287","","","0.0783","0.0817","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341396","13.5026","0.0007","20.7331","0.001","25.3589","0.0012","90.224","0.0006","105.435","0.0006","102.297","0.0006","6672.3","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.25 H107 B2 N12 Tm -","- C60.25 H107 B2 N12 Tm -","- C241 H428 B8 N48 Tm4 -","4","2","","Momin, Aurélien; Carter, Lee; Yang, Yi; McDonald, Robert; Essafi Née Labouille, Stéphanie; Nief, François; Del Rosal, Iker; Sella, Andrea; Maron, Laurent; Takats, Josef","To Bend or Not To Bend: Experimental and Computational Studies of Structural Preference in Ln(Tp(iPr)2)2 (Ln = Sm, Tm).","Inorganic chemistry","2014","","","141027132008003","","10.1021/ic501816v","","","0.71073","MoKα","","0.0367","0.0298","","","0.0874","0.0918","","","","","","1.035","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341397","19.313","0.0006","20.6488","0.0006","17.1556","0.0005","90","","94.9815","0.0004","90","","6815.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H104 B2 I N12 Tm -","- C66 H104 B2 I N12 Tm -","- C264 H416 B8 I4 N48 Tm4 -","4","1","","Momin, Aurélien; Carter, Lee; Yang, Yi; McDonald, Robert; Essafi Née Labouille, Stéphanie; Nief, François; Del Rosal, Iker; Sella, Andrea; Maron, Laurent; Takats, Josef","To Bend or Not To Bend: Experimental and Computational Studies of Structural Preference in Ln(Tp(iPr)2)2 (Ln = Sm, Tm).","Inorganic chemistry","2014","","","141027132008003","","10.1021/ic501816v","","","0.71073","MoKα","","0.0304","0.0221","","","0.0476","0.0533","","","","","","1.034","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341398","11.3322","0.0017","21.988","0.003","11.0351","0.0017","90","","104.336","0.002","90","","2664","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H78 B2 N12 O2 Tm -","- C42 H68 B2 N12 Tm -","- C84 H136 B4 N24 Tm2 -","2","0.5","","Momin, Aurélien; Carter, Lee; Yang, Yi; McDonald, Robert; Essafi Née Labouille, Stéphanie; Nief, François; Del Rosal, Iker; Sella, Andrea; Maron, Laurent; Takats, Josef","To Bend or Not To Bend: Experimental and Computational Studies of Structural Preference in Ln(Tp(iPr)2)2 (Ln = Sm, Tm).","Inorganic chemistry","2014","","","141027132008003","","10.1021/ic501816v","","","0.71073","MoKα","","0.0919","0.0579","","","0.138","0.1484","","","","","","1.123","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341402","9.083","0.002","15.227","0.004","28.551","0.007","90","","92.521","0.005","90","","3945","1.7","90","0.1","90","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H34.5 Cl2 F6 Ir N6 O0.25 P -","- C43 H34 Cl2 F6 Ir N6 O0.25 P -","- C172 H136 Cl8 F24 Ir4 N24 O P4 -","4","1","","Howarth, Ashlee J.; Davies, David L.; Lelj, Francesco; Wolf, Michael O.; Patrick, Brian O.","Tuning the Emission Lifetime in Bis-cyclometalated Iridium(III) Complexes Bearing Iminopyrene Ligands.","Inorganic chemistry","2014","","","141027150422006","","10.1021/ic501032t","","","0.71073","MoKα","","0.0604","0.039","","","0.0741","0.0807","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341403","8.6566","0.0011","25","0.004","14.566","0.002","90","0.005","90.169","0.003","90","0.005","3152.3","0.8","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H29 Ir N5 O1.5 -","- C41 H29 Ir N5 O1.5 -","- C164 H116 Ir4 N20 O6 -","4","2","","Howarth, Ashlee J.; Davies, David L.; Lelj, Francesco; Wolf, Michael O.; Patrick, Brian O.","Tuning the Emission Lifetime in Bis-cyclometalated Iridium(III) Complexes Bearing Iminopyrene Ligands.","Inorganic chemistry","2014","","","141027150422006","","10.1021/ic501032t","","","0.71069","MoKα","","0.0611","0.0556","","","0.1241","0.1271","","","","","","1.042","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4341404","14.1383","0.0007","22.3075","0.001","23.4765","0.0011","90","","103.2","0.005","90","","7208.6","0.6","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H26 Br6 Cr Fe Mn N8 O14 -","- C47 H26 Br6 Cr Fe Mn N8 O14 -","- C188 H104 Br24 Cr4 Fe4 Mn4 N32 O56 -","4","1","","Abhervé, Alexandre; Clemente-León, Miguel; Coronado, Eugenio; Gómez-García, Carlos J; Verneret, Martin","One-Dimensional and Two-Dimensional Anilate-Based Magnets with Inserted Spin-Crossover Complexes.","Inorganic chemistry","2014","","","141028153405005","","10.1021/ic5016803","","","0.71073","MoKα","","0.2493","0.1505","","","0.3565","0.4105","","","","","","1.011","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00",""
"4341405","13.2687","0.0006","16.5753","0.0004","20.3252","0.0007","98.056","0.003","98.056","0.003","95.922","0.003","4347.9","0.3","220","0.1","220","10","","","","","","","","8","P -1","-P 1","2","","","","- C58 H55.5 Cl13 Cr Fe2 Mn N20.5 O13 -","- C58 H55.5 Cl13 Cr Fe2 Mn N20.5 O13 -","- C116 H111 Cl26 Cr2 Fe4 Mn2 N41 O26 -","2","1","","Abhervé, Alexandre; Clemente-León, Miguel; Coronado, Eugenio; Gómez-García, Carlos J; Verneret, Martin","One-Dimensional and Two-Dimensional Anilate-Based Magnets with Inserted Spin-Crossover Complexes.","Inorganic chemistry","2014","","","141028153405005","","10.1021/ic5016803","","","0.7107","MoKα","","0.2368","0.1101","","","0.2711","0.3631","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341406","13.9066","0.0008","23.1892","0.0009","22.7189","0.0013","90","","101.422","0.006","90","","7181.4","0.7","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H40.5 Br6 Cl4 Cr Fe Mn N5.5 O19 -","- C42 H24 Br6 Cl4 Cr Fe Mn N5.5 O18 -","- C168 H96 Br24 Cl16 Cr4 Fe4 Mn4 N22 O72 -","4","1","","Abhervé, Alexandre; Clemente-León, Miguel; Coronado, Eugenio; Gómez-García, Carlos J; Verneret, Martin","One-Dimensional and Two-Dimensional Anilate-Based Magnets with Inserted Spin-Crossover Complexes.","Inorganic chemistry","2014","","","141028153405005","","10.1021/ic5016803","","","0.71073","MoKα","","0.2419","0.1618","","","0.3931","0.4331","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341407","13.2167","0.0003","16.2053","0.0004","20.2599","0.0005","97.796","0.002","97.354","0.002","95.928","0.002","4231.55","0.18","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C59 H59.5 Cl15 Cr Fe2 Mn N20.5 O13 -","- C59 H59.5 Cl15 Cr Fe2 Mn N20.5 O13 -","- C118 H119 Cl30 Cr2 Fe4 Mn2 N41 O26 -","2","1","","Abhervé, Alexandre; Clemente-León, Miguel; Coronado, Eugenio; Gómez-García, Carlos J; Verneret, Martin","One-Dimensional and Two-Dimensional Anilate-Based Magnets with Inserted Spin-Crossover Complexes.","Inorganic chemistry","2014","","","141028153405005","","10.1021/ic5016803","","","0.7107","MoKα","","0.1474","0.0812","","","0.2121","0.2649","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341408","40.7892","0.0006","27.417","0.0004","15.0785","0.0002","90","","90","","90","","16862.6","0.4","160","1","160","1","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C82 H76 Br4 F12 N8 O6 P2 Ru -","- C70 H50 Br4 F12 N6 O4 P2 Ru -","- C560 H400 Br32 F96 N48 O32 P16 Ru8 -","8","0.5","","Veliks, Janis; Blacque, Olivier; Siegel, Jay S.","Three Steps in One Pot: Synthesis of Linear Bilateral Extended 2,2':6',2″-Terpyridineruthenium(II) Complexes.","Inorganic chemistry","2014","","","141028140700007","","10.1021/ic501946f","","","1.54184","CuKα","","0.042","0.0391","","","0.1003","0.1028","","","","","","1.036","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00",""
"4341409","17.426","0.002","20.204","0.003","14.2568","0.0019","90","","106.525","0.0016","90","","4812.1","1.1","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","U8-oxalate","","","- C28 K14.21 N4 Na O82 U8 -","- C28 K14.212 N4 Na O82 U8 -","- C56 K28.424 N8 Na2 O164 U16 -","2","0.25","","Qiu, Jie; Ling, Jie; Sieradzki, Claire; Nguyen, Kevin; Wylie, Ernest M.; Szymanowski, Jennifer E. S.; Burns, Peter C.","Expanding the Crystal Chemistry of Uranyl Peroxides: Four Hybrid Uranyl-Peroxide Structures Containing EDTA.","Inorganic chemistry","2014","","","141028111602002","","10.1021/ic5018906","","","0.71073","MoKα","","0.0767","0.0496","","","0.1633","0.1822","","","","","","1.163","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341410","13.477","0.003","14.799","0.004","24.568","0.006","93.156","0.003","94.272","0.003","106.106","0.003","4680","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","U8-NO3","","","- C20 K6 Li8 N10 O92 U8 -","- C20 K6 Li8 N10 O92 U8 -","- C40 K12 Li16 N20 O184 U16 -","2","1","","Qiu, Jie; Ling, Jie; Sieradzki, Claire; Nguyen, Kevin; Wylie, Ernest M.; Szymanowski, Jennifer E. S.; Burns, Peter C.","Expanding the Crystal Chemistry of Uranyl Peroxides: Four Hybrid Uranyl-Peroxide Structures Containing EDTA.","Inorganic chemistry","2014","","","141028111602002","","10.1021/ic5018906","","","0.71073","MoKα","","0.0784","0.0498","","","0.1404","0.1594","","","","","","0.972","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341411","34.074","0.003","16.2211","0.0015","28.278","0.004","90","","124.743","0.001","90","","12843","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","U-IO3","","","- C20 I2 K4 N4 O50 U4 -","- C20 I2 K4 N4 O50 U4 -","- C160 I16 K32 N32 O400 U32 -","8","1","","Qiu, Jie; Ling, Jie; Sieradzki, Claire; Nguyen, Kevin; Wylie, Ernest M.; Szymanowski, Jennifer E. S.; Burns, Peter C.","Expanding the Crystal Chemistry of Uranyl Peroxides: Four Hybrid Uranyl-Peroxide Structures Containing EDTA.","Inorganic chemistry","2014","","","141028111602002","","10.1021/ic5018906","","","0.71073","MoKα","","0.0828","0.0495","","","0.1464","0.1717","","","","","","1.097","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341412","10.5051","0.0011","11.106","0.0012","12.3307","0.0013","91.903","0.001","99.039","0.001","106.252","0.001","1359.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","U-EDTA chain","","","- C20 K3 N4 O48 U4 -","- C20 K3 N4 O48 U4 -","- C20 K3 N4 O48 U4 -","1","0.5","","Qiu, Jie; Ling, Jie; Sieradzki, Claire; Nguyen, Kevin; Wylie, Ernest M.; Szymanowski, Jennifer E. S.; Burns, Peter C.","Expanding the Crystal Chemistry of Uranyl Peroxides: Four Hybrid Uranyl-Peroxide Structures Containing EDTA.","Inorganic chemistry","2014","","","141028111602002","","10.1021/ic5018906","","","0.71073","MoKα","","0.0381","0.0363","","","0.1009","0.102","","","","","","1.047","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341415","3.13774","0.00004","10.2087","0.0001","7.45875","0.00009","90","","90","","90","","238.921","0.005","300","","300","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- F3 Fe Na -","- F3 Fe Na -","- F12 Fe4 Na4 -","4","0.25","","Bernal, Fabian L.; Yusenko, Kirill V.; Sottmann, Jonas; Drathen, Christina; Guignard, Jérémy; Løvvik, Ole Martin; Crichton, Wilson A.; Margadonna, Serena","Perovskite to Postperovskite Transition in NaFeF3","Inorganic Chemistry","2014","","","141029080759008","","10.1021/ic502224y","powder diffraction","","0.3999","synchrotron","","","","","","","","","","1.33","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341416","13.9774","0.0015","13.9774","0.0015","5.7846","0.0007","90","","90","","90","","1130.1","0.2","293","","293","","","","","","","","","4","I 4/m","-I 4","87","","","","- Bi8.729 K1.812 O24 P4 -","- Bi8.728 K1.8132 O24 P4 -","- Bi17.456 K3.6264 O48 P8 -","2","0.125","","Lü, Minfeng; Colmont, Marie; Huvé, Marielle; De Waele, Isabelle; Terryn, Christine; Aliev, Almaz; Mentré, Olivier","Investigation of New Alkali Bismuth Oxosulfates and Oxophosphates with Original Topologies of Oxo-Centered Units","Inorganic Chemistry","2014","","","141031160816001","","10.1021/ic501776h","","x-ray","0.71073","MoKα","","0.0776","0.07","","","0.0756","0.0786","","","","1.48","1.48","1.4","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341417","28.5219","0.0008","11.46","0.0003","20.0843","0.0006","90","","133.307","0.0009","90","","4777.1","0.2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Bi7 K3 O24 S4 -","- Bi7 K3 O24 S4 -","- Bi56 K24 O192 S32 -","8","1","","Lü, Minfeng; Colmont, Marie; Huvé, Marielle; De Waele, Isabelle; Terryn, Christine; Aliev, Almaz; Mentré, Olivier","Investigation of New Alkali Bismuth Oxosulfates and Oxophosphates with Original Topologies of Oxo-Centered Units","Inorganic Chemistry","2014","","","141031160816001","","10.1021/ic501776h","","","0.71073","MoKα","","0.0679","0.035","","","0.0484","0.0549","","","","1.51","1.51","1.32","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341418","23.0661","0.001","11.433","0.0005","11.2237","0.0005","90","","90","","90","","2959.9","0.2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Bi12 Li2 O31 S4 -","- Bi12 Li2 O31 S4 -","- Bi48 Li8 O124 S16 -","4","1","","Lü, Minfeng; Colmont, Marie; Huvé, Marielle; De Waele, Isabelle; Terryn, Christine; Aliev, Almaz; Mentré, Olivier","Investigation of New Alkali Bismuth Oxosulfates and Oxophosphates with Original Topologies of Oxo-Centered Units","Inorganic Chemistry","2014","","","141031160816001","","10.1021/ic501776h","","","0.71073","MoKα","","0.0785","0.0646","","","0.0725","0.0736","","","","2.92","2.92","2.75","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341419","21.763","0.0006","11.0749","0.0004","19.5074","0.0005","90","","92.76","0.003","90","","4696.3","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","L-1","","","- C40 H51 Cu3 N2 O23 -","- C40 H44 Cu3 N2 O23 -","- C160 H176 Cu12 N8 O92 -","4","1","","Xu, Zhong-Xuan; Tan, Yan-Xi; Fu, Hong-Ru; Liu, Juan; Zhang, Jian","Homochiral Metal‒Organic Frameworks with Enantiopure Proline Units for the Catalytic Synthesis of β-Lactams","Inorganic Chemistry","2014","","","141031102220000","","10.1021/ic501849g","","","0.71073","MoKα","","0.0414","0.0363","","","0.096","0.1","","","","","","1.005","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341420","21.78","0.0003","10.8551","0.0001","19.4405","0.0003","90","","92.088","0.001","90","","4593.15","0.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","1-D","","","- C40 H51 Cu3 N2 O23 -","- C40 H44 Cu3 N2 O23 -","- C160 H176 Cu12 N8 O92 -","4","1","","Xu, Zhong-Xuan; Tan, Yan-Xi; Fu, Hong-Ru; Liu, Juan; Zhang, Jian","Homochiral Metal‒Organic Frameworks with Enantiopure Proline Units for the Catalytic Synthesis of β-Lactams","Inorganic Chemistry","2014","","","141031102220000","","10.1021/ic501849g","","","1.54178","CuKα","","0.0376","0.0359","","","0.1136","0.1186","","","","","","1.023","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341421","12.4736","0.0001","12.4736","0.0001","70.2884","0.0008","90","","90","","90","","10936.2","0.18","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C35 H35 Cu4 N2.5 O22.5 -","- C35.5 H20 Cu4 N2 O23 -","- C284 H160 Cu32 N16 O184 -","8","1","","Xu, Zhong-Xuan; Tan, Yan-Xi; Fu, Hong-Ru; Liu, Juan; Zhang, Jian","Homochiral Metal‒Organic Frameworks with Enantiopure Proline Units for the Catalytic Synthesis of β-Lactams","Inorganic Chemistry","2014","","","141031102220000","","10.1021/ic501849g","","","1.54178","CuKα","","0.0894","0.0848","","","0.2432","0.2519","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341422","12.5085","0.0001","12.5085","0.0001","70.2284","0.0015","90","","90","","90","","10988.1","0.3","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","D-453","","","- C35 H35 Cu4 N2.5 O22.5 -","- C35 H20 Cu4 N2 O21 -","- C280 H160 Cu32 N16 O168 -","8","1","","Xu, Zhong-Xuan; Tan, Yan-Xi; Fu, Hong-Ru; Liu, Juan; Zhang, Jian","Homochiral Metal‒Organic Frameworks with Enantiopure Proline Units for the Catalytic Synthesis of β-Lactams","Inorganic Chemistry","2014","","","141031102220000","","10.1021/ic501849g","","","1.54178","CuKα","","0.0924","0.0874","","","0.2544","0.262","","","","","","1.013","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341425","7.8665","0.0003","14.8088","0.0005","13.9124","0.0005","90","","106.292","0.002","90","","1555.62","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 Cl2 Cu2 N14 O8 -","- C20 H32 Cl2 Cu2 N14 O8 -","- C40 H64 Cl4 Cu4 N28 O16 -","2","0.5","","Chakraborty, Anindita; Lingampalli, Srinivasa Rao; Kumari, Aman; Ribas, Joan; Ribas-Arino, Jordi; Maji, Tapas Kumar","Structural and Magnetic Diversity Based on Different Imidazolate Linkers in Cu(II)-Azido Coordination Compounds","Inorganic Chemistry","2014","","","141031143936008","","10.1021/ic501655u","","","0.71073","MoKα","","0.1436","0.0589","","","0.1315","0.1612","","","","","","1.014","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341426","18.5986","0.0004","8.0499","0.0002","12.936","0.0003","90","","90.742","0.001","90","","1936.58","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Cu2 N15 -","- C12 H15 Cu2 N15 -","- C48 H60 Cu8 N60 -","4","1","","Chakraborty, Anindita; Lingampalli, Srinivasa Rao; Kumari, Aman; Ribas, Joan; Ribas-Arino, Jordi; Maji, Tapas Kumar","Structural and Magnetic Diversity Based on Different Imidazolate Linkers in Cu(II)-Azido Coordination Compounds","Inorganic Chemistry","2014","","","141031143936008","","10.1021/ic501655u","","","0.71073","MoKα","","0.0371","0.0294","","","0.0756","0.0836","","","","","","1.081","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341427","7.6956","0.0003","8.7246","0.0004","13.1172","0.0006","83.099","0.003","77.457","0.002","71.479","0.002","813.91","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H11 Cu2 N15 -","- C9 H11 Cu2 N15 -","- C18 H22 Cu4 N30 -","2","1","","Chakraborty, Anindita; Lingampalli, Srinivasa Rao; Kumari, Aman; Ribas, Joan; Ribas-Arino, Jordi; Maji, Tapas Kumar","Structural and Magnetic Diversity Based on Different Imidazolate Linkers in Cu(II)-Azido Coordination Compounds","Inorganic Chemistry","2014","","","141031143936008","","10.1021/ic501655u","","","0.71073","MoKα","","0.06","0.0505","","","0.1407","0.1468","","","","","","1.138","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341428","7.8482","0.0001","8.774","0.0002","15.4669","0.0003","90.309","0.001","90.548","0.001","107.391","0.001","1016.28","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cu2 N17 O -","- C12 H15 Cu2 N17 O -","- C24 H30 Cu4 N34 O2 -","2","1","","Chakraborty, Anindita; Lingampalli, Srinivasa Rao; Kumari, Aman; Ribas, Joan; Ribas-Arino, Jordi; Maji, Tapas Kumar","Structural and Magnetic Diversity Based on Different Imidazolate Linkers in Cu(II)-Azido Coordination Compounds","Inorganic Chemistry","2014","","","141031143936008","","10.1021/ic501655u","","","0.71073","MoKα","","0.0659","0.0388","","","0.0844","0.0982","","","","","","1.031","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341429","4.0465","0.0003","4.0465","0.0003","41.493","0.005","90","","90","","120","","588.39","0.09","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","sodium_copper_selenide(1_6_4)","","","- Cu5.67 Na Se4 -","- Cu5.76 Na Se4 -","- Cu17.28 Na3 Se12 -","3","0.0833333","","Sturza, Mihai; Malliakas, Christos D.; Bugaris, Daniel E.; Han, Fei; Chung, Duck Young; Kanatzidis, Mercouri G.","NaCu6Se4: A Layered Compound with Mixed Valency and Metallic Properties","Inorganic Chemistry","2014","","","141031160814003","","10.1021/ic502137m","","","0.71069","MoKα","","0.0651","0.0616","","","0.1539","0.1563","","","","","","1.147","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341430","19.02","0.002","7.7962","0.0009","19.565","0.002","90","","92.355","0.01","90","","2898.7","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H19 Mg O12 -","- C8 H19 Mg O12 -","- C64 H152 Mg8 O96 -","8","1","","Dong, Xi-Yan; Hu, Xiao-Peng; Yao, Hong-Chang; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C.W.","Alkaline Earth Metal (Mg, Sr, Ba)‒Organic Frameworks Based on 2,2′,6,6′-Tetracarboxybiphenyl for Proton Conduction","Inorganic Chemistry","2014","","","141103102542005","","10.1021/ic5017593","","","0.71073","MoKα","","0.1197","0.0982","","","0.2469","0.2603","","","","","","0.988","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341431","13.6876","0.0006","10.4272","0.0006","15.0005","0.0007","90","","100.256","0.004","90","","2106.71","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O15 Sr2 -","- C16 H20 O15 Sr2 -","- C64 H80 O60 Sr8 -","4","1","","Dong, Xi-Yan; Hu, Xiao-Peng; Yao, Hong-Chang; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C.W.","Alkaline Earth Metal (Mg, Sr, Ba)‒Organic Frameworks Based on 2,2′,6,6′-Tetracarboxybiphenyl for Proton Conduction","Inorganic Chemistry","2014","","","141103102542005","","10.1021/ic5017593","","","0.71073","MoKα","","0.0786","0.0522","","","0.1003","0.1103","","","","","","1.009","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341432","19.4778","0.0017","13.9542","0.0013","23.761","0.002","90","","104.444","0.002","90","","6254","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H98 Ba12 O79 -","- C96 H98 Ba12 O79 -","- C192 H196 Ba24 O158 -","2","0.5","","Dong, Xi-Yan; Hu, Xiao-Peng; Yao, Hong-Chang; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C.W.","Alkaline Earth Metal (Mg, Sr, Ba)‒Organic Frameworks Based on 2,2′,6,6′-Tetracarboxybiphenyl for Proton Conduction","Inorganic Chemistry","2014","","","141103102542005","","10.1021/ic5017593","","","0.71073","MoKα","","0.0449","0.0328","","","0.0959","0.1025","","","","","","1.027","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341433","8.031","0.003","8.923","0.003","9.111","0.003","93.598","0.004","108.804","0.004","103.521","0.004","594.1","0.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C5 H18 N2 O21 Se6 V3 -","- C5 H18 N2 O21 Se6 V3 -","- C5 H18 N2 O21 Se6 V3 -","1","1","","Olshansky, Jacob H.; Wiener, Karina J.; Smith, Matthew D.; Nourmahnad, Anahita; Charles, Max J.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Vanadium Selenites: The Role of pH on Product Composition","Inorganic Chemistry","2014","","","141103102403006","","10.1021/ic501736r","","","0.71073","MoKα","","0.0414","0.0367","","","0.0922","0.0979","","","","","","1.046","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341434","8.0532","0.0017","8.9284","0.0019","9.111","0.002","93.563","0.003","108.91","0.002","103.594","0.003","595.5","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C5 H18 N2 O21 Se6 V3 -","- C5 H18 N2 O21 Se6 V3 -","- C5 H18 N2 O21 Se6 V3 -","1","1","","Olshansky, Jacob H.; Wiener, Karina J.; Smith, Matthew D.; Nourmahnad, Anahita; Charles, Max J.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Vanadium Selenites: The Role of pH on Product Composition","Inorganic Chemistry","2014","","","141103102403006","","10.1021/ic501736r","","","0.71073","MoKα","","0.0259","0.0237","","","0.0586","0.0596","","","","","","1.047","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00",""
"4341435","7.9731","0.0015","8.6063","0.0016","8.781","0.0016","90","","90.023","0.002","90","","602.54","0.19","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H14 N2 O7 Se2 V -","- C5 H14 N2 O7 Se2 V -","- C10 H28 N4 O14 Se4 V2 -","2","1","","Olshansky, Jacob H.; Wiener, Karina J.; Smith, Matthew D.; Nourmahnad, Anahita; Charles, Max J.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Vanadium Selenites: The Role of pH on Product Composition","Inorganic Chemistry","2014","","","141103102403006","","10.1021/ic501736r","","","0.71073","MoKα","","0.0326","0.0321","","0.0827","0.0816","0.0814","","","","","","0.9997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341436","8.0024","0.0014","8.8989","0.0016","9.1287","0.0016","93.868","0.002","108.723","0.002","103.234","0.002","592.28","0.18","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C5 H18 N2 O21 Se6 V3 -","- C5 H18 N2 O21 Se6 V3 -","- C5 H18 N2 O21 Se6 V3 -","1","1","","Olshansky, Jacob H.; Wiener, Karina J.; Smith, Matthew D.; Nourmahnad, Anahita; Charles, Max J.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Vanadium Selenites: The Role of pH on Product Composition","Inorganic Chemistry","2014","","","141103102403006","","10.1021/ic501736r","","","0.71073","MoKα","","0.0233","0.0213","","0.0513","0.0506","0.05","","","","","","0.8512","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341437","8.0016","0.0012","8.9089","0.0014","9.127","0.0014","93.9196","0.0018","108.724","0.0016","103.224","0.0017","592.71","0.16","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C5 H18 N2 O21 Se6 V3 -","- C5 H18 N2 O21 Se6 V3 -","- C5 H18 N2 O21 Se6 V3 -","1","1","","Olshansky, Jacob H.; Wiener, Karina J.; Smith, Matthew D.; Nourmahnad, Anahita; Charles, Max J.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Vanadium Selenites: The Role of pH on Product Composition","Inorganic Chemistry","2014","","","141103102403006","","10.1021/ic501736r","","","0.71073","MoKα","","0.0244","0.0234","","0.0587","0.0584","0.0577","","","","","","0.8764","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341438","36.131","0.002","20.2539","0.0004","28.6248","0.0018","90","","137.782","0.012","90","","14076","3","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H60 Cl6.5 Cu3 N15 Na O27.5 S0.5 -","- C58 H57 Cl6.5 Cu3 N15 Na O27.5 S0.5 -","- C464 H456 Cl52 Cu24 N120 Na8 O220 S4 -","8","1","","Bazzicalupi, Carla; Bianchi, Antonio; Biver, Tarita; Giorgi, Claudia; Santarelli, Samuele; Savastano, Matteo","Formation of Double-Strand Dimetallic Helicates with a Terpyridine-Based Macrocycle.","Inorganic chemistry","2014","","","141104130636006","","10.1021/ic502329s","","","1.54184","CuKα","","0.0759","0.0561","","","0.1487","0.1717","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341439","19.761","0.005","19.351","0.005","19.762","0.005","90","0.005","111.914","0.005","90","0.005","7011","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H18 Ni P2 -","- C66 H18 Ni P2 -","- C528 H144 Ni8 P16 -","8","2","","Konarev, Dmitri V.; Khasanov, Salavat S.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Linear Coordination Fullerene C60 Polymer [{Ni(Me3P)2}(μ-η(2),η(2)-C60)]∞Bridged by Zerovalent Nickel Atoms.","Inorganic chemistry","2014","","","141104155337006","","10.1021/ic501551y","","","0.71073","MoKα","","0.1849","0.0742","","","0.1674","0.2222","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341443","13.392","0.003","10.614","0.002","19.239","0.004","90","","90.29","0.03","90","","2734.6","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H34 F12 Mn N4 O3 P2 -","- C15 H34 F12 Mn N4 O3 P2 -","- C60 H136 F48 Mn4 N16 O12 P8 -","4","1","","Zhang, Zhan; Coats, Katherine L.; Chen, Zhuqi; Hubin, Timothy J.; Yin, Guochuan","Influence of Calcium(II) and Chloride on the Oxidative Reactivity of a Manganese(II) Complex of a Cross-Bridged Cyclen Ligand","Inorganic Chemistry","2014","","","141106145049000","","10.1021/ic501342c","","","0.71073","MoKα","","0.1274","0.0782","","","0.1587","0.1837","","","","","","1.119","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00",""
"4341444","22.6768","0.0003","11.79225","0.00013","23.7381","0.0003","90","","99.9683","0.0013","90","","6251.99","0.14","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C59 H56 Ag2 F6 N8 O7 P2 S2 -","- C59 H56 Ag2 F6 N8 O7 P2 S2 -","- C236 H224 Ag8 F24 N32 O28 P8 S8 -","4","1","","Gardinier, James R.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Isomer Dependence in the Assembly and Lability of Silver(I) Trifluoromethanesulfonate Complexes of the Heteroditopic Ligands, 2-, 3-, and 4-[Di(1H-pyrazolyl)methyl]phenyl(di-p-tolyl)phosphine","Inorganic Chemistry","2014","","","141106150122003","","10.1021/ic5019357","","","0.7107","MoKα","","0.0384","0.0301","","","0.0665","0.0707","","","","","","1.03","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341445","11.8539","0.0002","15.5905","0.0003","17.639","0.0004","90","","109.318","0.002","90","","3076.29","0.11","100.05","0.1","100.05","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H56 Ag2 F6 N10 O6 P2 S2 -","- C60 H56 Ag2 F6 N10 O6 P2 S2 -","- C120 H112 Ag4 F12 N20 O12 P4 S4 -","2","0.5","","Gardinier, James R.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Isomer Dependence in the Assembly and Lability of Silver(I) Trifluoromethanesulfonate Complexes of the Heteroditopic Ligands, 2-, 3-, and 4-[Di(1H-pyrazolyl)methyl]phenyl(di-p-tolyl)phosphine","Inorganic Chemistry","2014","","","141106150122003","","10.1021/ic5019357","","","0.7107","MoKα","","0.0451","0.033","","","0.0712","0.0777","","","","","","1.033","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341446","21.8299","0.0003","13.12475","0.00011","22.6416","0.0003","90","","90","","90","","6487.09","0.14","100","0.1","100","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28 H25 Ag F3 N4 O3 P S -","- C28 H25 Ag F3 N4 O3 P S -","- C224 H200 Ag8 F24 N32 O24 P8 S8 -","8","1","","Gardinier, James R.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Isomer Dependence in the Assembly and Lability of Silver(I) Trifluoromethanesulfonate Complexes of the Heteroditopic Ligands, 2-, 3-, and 4-[Di(1H-pyrazolyl)methyl]phenyl(di-p-tolyl)phosphine","Inorganic Chemistry","2014","","","141106150122003","","10.1021/ic5019357","","","1.54184","CuKα","","0.0378","0.0331","","","0.0887","0.0922","","","","","","1.07","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341447","9.34515","0.00015","13.8176","0.0003","33.1325","0.0006","90","","90.3273","0.0015","90","","4278.25","0.14","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 Ag F3 N4 O3 P2 S -","- C46 H40 Ag F3 N4 O3 P2 S -","- C184 H160 Ag4 F12 N16 O12 P8 S4 -","4","1","","Gardinier, James R.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Isomer Dependence in the Assembly and Lability of Silver(I) Trifluoromethanesulfonate Complexes of the Heteroditopic Ligands, 2-, 3-, and 4-[Di(1H-pyrazolyl)methyl]phenyl(di-p-tolyl)phosphine","Inorganic Chemistry","2014","","","141106150122003","","10.1021/ic5019357","","","0.71073","MoKα","","0.0493","0.0408","","","0.0916","0.0958","","","","","","1.085","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00",""
"4341448","9.4676","0.0003","11.623","0.0003","15.5967","0.0004","70.706","0.002","86.72","0.002","85.857","0.002","1614.65","0.08","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C27 H22 Ag F3 I2 N8 O3 S -","- C27 H22 Ag F3 I2 N8 O3 S -","- C54 H44 Ag2 F6 I4 N16 O6 S2 -","2","1","","Gardinier, James R.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Isomer Dependence in the Assembly and Lability of Silver(I) Trifluoromethanesulfonate Complexes of the Heteroditopic Ligands, 2-, 3-, and 4-[Di(1H-pyrazolyl)methyl]phenyl(di-p-tolyl)phosphine","Inorganic Chemistry","2014","","","141106150122003","","10.1021/ic5019357","","","0.7107","MoKα","","0.0448","0.0317","","","0.0624","0.0698","","","","","","1.073","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341449","9.3581","0.0007","9.6869","0.0007","39.014","0.003","90","","93.296","0.002","90","","3530.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 Cl2 N9 Ni O8 -","- C33 H27 Cl2 N9 Ni O8 -","- C132 H108 Cl8 N36 Ni4 O32 -","4","1","","Sengupta, Debabrata; Ghosh, Pradip; Chatterjee, Tanmay; Datta, Harashit; Paul, Nanda D.; Goswami, Sreebrata","Ligand-Centered Redox in Nickel(II) Complexes of 2-(Arylazo)pyridine and Isolation of 2-Pyridyl-Substituted Triaryl Hydrazines via Catalytic N-Arylation of Azo-Function.","Inorganic chemistry","2014","","","141105122752002","","10.1021/ic501656s","","","0.71073","MoKα","","0.0572","0.0431","","","0.1015","0.1074","","","","","","1.04","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341450","9.276","0.005","17.451","0.005","15.923","0.005","90","0.005","90.812","0.005","90","0.005","2577.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cl4 N6 Ni -","- C23 H20 Cl4 N6 Ni -","- C92 H80 Cl16 N24 Ni4 -","4","1","","Sengupta, Debabrata; Ghosh, Pradip; Chatterjee, Tanmay; Datta, Harashit; Paul, Nanda D.; Goswami, Sreebrata","Ligand-Centered Redox in Nickel(II) Complexes of 2-(Arylazo)pyridine and Isolation of 2-Pyridyl-Substituted Triaryl Hydrazines via Catalytic N-Arylation of Azo-Function.","Inorganic chemistry","2014","","","141105122752002","","10.1021/ic501656s","","","0.71073","MoKα","","0.0593","0.0374","","","0.0916","0.1037","","","","","","1.015","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341451","32.4726","0.0016","8.645","0.0004","13.5478","0.0007","90","","90","","90","","3803.2","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18 N6 Ni -","- C22 H18 N6 Ni -","- C176 H144 N48 Ni8 -","8","2","","Sengupta, Debabrata; Ghosh, Pradip; Chatterjee, Tanmay; Datta, Harashit; Paul, Nanda D.; Goswami, Sreebrata","Ligand-Centered Redox in Nickel(II) Complexes of 2-(Arylazo)pyridine and Isolation of 2-Pyridyl-Substituted Triaryl Hydrazines via Catalytic N-Arylation of Azo-Function.","Inorganic chemistry","2014","","","141105122752002","","10.1021/ic501656s","","","0.71073","MoKα","","0.0378","0.0357","","","0.0893","0.0905","","","","","","1.057","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341452","10.209","0.005","15.357","0.005","14.586","0.005","90","0.005","93.112","0.005","90","0.005","2283.4","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 I2 N6 Ni -","- C22 H18 I2 N6 Ni -","- C88 H72 I8 N24 Ni4 -","4","1","","Sengupta, Debabrata; Ghosh, Pradip; Chatterjee, Tanmay; Datta, Harashit; Paul, Nanda D.; Goswami, Sreebrata","Ligand-Centered Redox in Nickel(II) Complexes of 2-(Arylazo)pyridine and Isolation of 2-Pyridyl-Substituted Triaryl Hydrazines via Catalytic N-Arylation of Azo-Function.","Inorganic chemistry","2014","","","141105122752002","","10.1021/ic501656s","","","0.71073","MoKα","","0.0392","0.0299","","","0.0704","0.0742","","","","","","1.052","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341453","14.066","0.006","7.975","0.004","14.885","0.007","90","","99.335","0.014","90","","1647.6","1.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 -","- C21 H17 N3 -","- C84 H68 N12 -","4","1","","Sengupta, Debabrata; Ghosh, Pradip; Chatterjee, Tanmay; Datta, Harashit; Paul, Nanda D.; Goswami, Sreebrata","Ligand-Centered Redox in Nickel(II) Complexes of 2-(Arylazo)pyridine and Isolation of 2-Pyridyl-Substituted Triaryl Hydrazines via Catalytic N-Arylation of Azo-Function.","Inorganic chemistry","2014","","","141105122752002","","10.1021/ic501656s","","","0.71073","MoKα","","0.0991","0.052","","","0.1286","0.1579","","","","","","1.025","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341454","14.517","0.005","17.068","0.005","14.872","0.005","90","0.005","90.352","0.005","90","0.005","3685","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H100 Fe2 N8 S2 -","- C86 H100 Fe2 N8 S2 -","- C172 H200 Fe4 N16 S4 -","2","0.5","","Sil, Debangsu; Tuglak Khan, Firoz Shah; Rath, Sankar Prasad","Axial Thiophenolate Coordination on Diiron(III)bisporphyrin: Influence of Heme‒Heme Interactions on Structure, Function and Electrochemical Properties of the Individual Heme Center","Inorganic Chemistry","2014","","","141106083232007","","10.1021/ic5011677","","","0.71073","MoKα","","0.0646","0.0479","","","0.1181","0.127","","","","","","1.031","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341455","14.85","0.005","17.254","0.005","15.114","0.005","90","0.005","93.611","0.005","90","0.005","3865","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H112 Fe2 N8 S2 -","- C92 H112 Fe2 N8 S2 -","- C184 H224 Fe4 N16 S4 -","2","0.5","","Sil, Debangsu; Tuglak Khan, Firoz Shah; Rath, Sankar Prasad","Axial Thiophenolate Coordination on Diiron(III)bisporphyrin: Influence of Heme‒Heme Interactions on Structure, Function and Electrochemical Properties of the Individual Heme Center","Inorganic Chemistry","2014","","","141106083232007","","10.1021/ic5011677","","","0.71069","MoKα","","0.1343","0.084","","","0.2086","0.2376","","","","","","1.051","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341456","11.627","0.005","12.813","0.005","14.097","0.005","67.275","0.005","73.455","0.005","84.451","0.005","1856.7","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H96 Cl4 Fe2 N8 S2 -","- C86 H96 Cl4 Fe2 N8 S2 -","- C86 H96 Cl4 Fe2 N8 S2 -","1","0.5","","Sil, Debangsu; Tuglak Khan, Firoz Shah; Rath, Sankar Prasad","Axial Thiophenolate Coordination on Diiron(III)bisporphyrin: Influence of Heme‒Heme Interactions on Structure, Function and Electrochemical Properties of the Individual Heme Center","Inorganic Chemistry","2014","","","141106083232007","","10.1021/ic5011677","","","0.71069","MoKα","","0.0673","0.0465","","","0.1083","0.1182","","","","","","1.027","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341457","14.647","0.005","17.029","0.005","14.927","0.005","90","0.005","91.512","0.005","90","0.005","3722","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H90 F10 Fe2 N8 S2 -","- C86 H90 F10 Fe2 N8 S2 -","- C172 H180 F20 Fe4 N16 S4 -","2","0.5","","Sil, Debangsu; Tuglak Khan, Firoz Shah; Rath, Sankar Prasad","Axial Thiophenolate Coordination on Diiron(III)bisporphyrin: Influence of Heme‒Heme Interactions on Structure, Function and Electrochemical Properties of the Individual Heme Center","Inorganic Chemistry","2014","","","141106083232007","","10.1021/ic5011677","","","0.71069","MoKα","","0.1434","0.1096","","","0.3064","0.3302","","","","","","1.067","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341458","12.018","0.0008","11.8256","0.0005","10.1277","0.0006","90","","112.233","0.007","90","","1332.34","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Br N3 O3 Re -","- C12 H9 Br N3 O3 Re -","- C48 H36 Br4 N12 O12 Re4 -","4","1","","Gómez-Iglesias, Patricia; Arroyo, Marta; Bajo, Sonia; Strohmann, Carsten; Miguel, Daniel; Villafañe, Fernando","Pyrazolylamidino Ligands from Coupling of Acetonitrile and Pyrazoles: A Systematic Study.","Inorganic chemistry","2014","","","141107133009008","","10.1021/ic5018054","","","0.71073","MoKα","","0.0344","0.0236","","","0.0384","0.0391","","","","","","1.021","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341459","13.834","0.009","18.713","0.012","14.029","0.009","90","","96.381","0.012","90","","3609","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Br N4 O3 Re -","- C13 H16 Br N4 O3 Re -","- C104 H128 Br8 N32 O24 Re8 -","8","2","","Gómez-Iglesias, Patricia; Arroyo, Marta; Bajo, Sonia; Strohmann, Carsten; Miguel, Daniel; Villafañe, Fernando","Pyrazolylamidino Ligands from Coupling of Acetonitrile and Pyrazoles: A Systematic Study.","Inorganic chemistry","2014","","","141107133009008","","10.1021/ic5018054","","","0.71073","MoKα","","0.0474","0.0368","","","0.0944","0.1008","","","","","","1.077","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341460","12.804","0.003","20.02","0.004","7.2638","0.0016","90","","90","","90","","1862","0.7","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H12 Br N4 O3 Re -","- C17 H12 Br N4 O3 Re -","- C68 H48 Br4 N16 O12 Re4 -","4","0.5","","Gómez-Iglesias, Patricia; Arroyo, Marta; Bajo, Sonia; Strohmann, Carsten; Miguel, Daniel; Villafañe, Fernando","Pyrazolylamidino Ligands from Coupling of Acetonitrile and Pyrazoles: A Systematic Study.","Inorganic chemistry","2014","","","141107133009008","","10.1021/ic5018054","","","0.71073","MoKα","","0.0531","0.0277","","","0.0585","0.0693","","","","","","1.062","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341461","8.0258","0.0006","10.7509","0.0009","10.7993","0.0007","90.653","0.006","93.547","0.006","109.83","0.008","874.36","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 Cl N5 O7 Re -","- C11 H11 Cl N5 O7 Re -","- C22 H22 Cl2 N10 O14 Re2 -","2","1","","Gómez-Iglesias, Patricia; Arroyo, Marta; Bajo, Sonia; Strohmann, Carsten; Miguel, Daniel; Villafañe, Fernando","Pyrazolylamidino Ligands from Coupling of Acetonitrile and Pyrazoles: A Systematic Study.","Inorganic chemistry","2014","","","141107133009008","","10.1021/ic5018054","","","1.54184","CuKα","","0.0506","0.0389","","","0.0917","0.1014","","","","","","1.056","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341462","8.6766","0.0004","14.4459","0.0008","15.7798","0.0006","94.969","0.004","92.173","0.004","103.285","0.005","1914.28","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H16 Cl N4 O7 Re -","- C13 H16 Cl N4 O7 Re -","- C52 H64 Cl4 N16 O28 Re4 -","4","2","","Gómez-Iglesias, Patricia; Arroyo, Marta; Bajo, Sonia; Strohmann, Carsten; Miguel, Daniel; Villafañe, Fernando","Pyrazolylamidino Ligands from Coupling of Acetonitrile and Pyrazoles: A Systematic Study.","Inorganic chemistry","2014","","","141107133009008","","10.1021/ic5018054","","","0.71073","MoKα","","0.0916","0.0493","","","0.0771","0.0979","","","","","","1.045","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341463","10.6571","0.0006","13.8282","0.0008","17.0627","0.0012","80.62","0.005","89.784","0.005","68.13","0.006","2297.9","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C14.5 H16.5 Cl1.5 F3 N4 O6 Re S -","- C14.5 H16.5 Cl1.5 F3 N4 O6 Re S -","- C58 H66 Cl6 F12 N16 O24 Re4 S4 -","4","2","","Gómez-Iglesias, Patricia; Arroyo, Marta; Bajo, Sonia; Strohmann, Carsten; Miguel, Daniel; Villafañe, Fernando","Pyrazolylamidino Ligands from Coupling of Acetonitrile and Pyrazoles: A Systematic Study.","Inorganic chemistry","2014","","","141107133009008","","10.1021/ic5018054","","","0.71073","MoKα","","0.0519","0.0376","","","0.0795","0.0937","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341464","10.0713","0.0006","10.9065","0.0008","10.9714","0.0006","90.522","0.005","96.147","0.005","108.719","0.006","1133.61","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 Cl N4 O8 Re -","- C17 H18 Cl N4 O8 Re -","- C34 H36 Cl2 N8 O16 Re2 -","2","1","","Gómez-Iglesias, Patricia; Arroyo, Marta; Bajo, Sonia; Strohmann, Carsten; Miguel, Daniel; Villafañe, Fernando","Pyrazolylamidino Ligands from Coupling of Acetonitrile and Pyrazoles: A Systematic Study.","Inorganic chemistry","2014","","","141107133009008","","10.1021/ic5018054","","","0.71073","MoKα","","0.0582","0.0412","","","0.0775","0.0881","","","","","","1.049","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341465","11.857","","11.857","","12.564","","90","","90","","120","","1529.71","","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C6 Eu3 N6 O6 -","- C6 Eu3 N6 O6 -","- C36 Eu18 N36 O36 -","6","0.333333","","Kalmutzki, Markus; Stroebele, Markus; Wackenhut, Frank; Meixner, Alfred; Meyer, Hans-Juergen","Synthesis and SHG Properties of Two New Cyanurates: Sr3(O3C3N3)2 (SCY) and Eu3(O3C3N3)2 (ECY).","Inorganic chemistry","2014","","","141107143734000","","10.1021/ic502035b","","","0.71073","MoKα","","0.0379","0.0351","","","0.0831","0.0842","","","","","","1.065","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4341466","11.862","","11.862","","12.698","","90","","90","","120","","1547.33","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C6 N6 O6 Sr3 -","- C6 N6 O6 Sr3 -","- C36 N36 O36 Sr18 -","6","0.333333","","Kalmutzki, Markus; Stroebele, Markus; Wackenhut, Frank; Meixner, Alfred; Meyer, Hans-Juergen","Synthesis and SHG Properties of Two New Cyanurates: Sr3(O3C3N3)2 (SCY) and Eu3(O3C3N3)2 (ECY).","Inorganic chemistry","2014","","","141107143734000","","10.1021/ic502035b","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4341467","14.895","0.0007","14.895","0.0007","30.693","0.002","90","","90","","120","","5897.3","0.5","110","","110","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C18 H44 Ba Cu4 I6 O10 -","- C18 H43.9998 Ba Cu4 I6 O10 -","- C108 H263.999 Ba6 Cu24 I36 O60 -","6","0.166667","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?","Inorganic chemistry","2014","53","21","11721","11731","10.1021/ic501963y","","","0.7107","MoKα","","0.0514","0.0382","","0.0833","0.0756","0.0833","","","","","","0.9881","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00",""
"4341468","8.4456","0.0005","21.8643","0.0012","17.2493","0.0005","90","","92.41","0.003","90","","3182.4","0.3","183","2","183","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","em50rd82 THF/Hex","","","- C22 H20 Ag Au Cl10 S4 -","- C22 H20 Ag Au Cl10 S4 -","- C88 H80 Ag4 Au4 Cl40 S16 -","4","1","","Blake, Alexander J.; Donamaría, Rocío; Lippolis, Vito; López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena","Influence of crown thioether ligands in the structures and of perhalophenyl groups in the optical properties of complexes with argentoaurophilic interactions.","Inorganic chemistry","2014","53","19","10471","10484","10.1021/ic501515c","","x-ray","0.71073","MoKα","","0.0851","0.0477","","","0.0935","0.1036","","","","","","1.116","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341469","10.5243","0.0008","10.6311","0.0007","14.3009","0.0011","73.651","0.003","85.776","0.003","71.819","0.004","1458.53","0.19","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","em49rd83","","","- C40 H32 Ag2 Au2 Cl20 S8 -","- C40 H32 Ag2 Au2 Cl20 S8 -","- C40 H32 Ag2 Au2 Cl20 S8 -","1","0.5","","Blake, Alexander J.; Donamaría, Rocío; Lippolis, Vito; López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena","Influence of crown thioether ligands in the structures and of perhalophenyl groups in the optical properties of complexes with argentoaurophilic interactions.","Inorganic chemistry","2014","53","19","10471","10484","10.1021/ic501515c","","x-ray","0.71073","MoKα","","0.0763","0.0452","","","0.0824","0.0923","","","","","","1.052","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341470","14.8817","0.0006","11.4985","0.0005","18.8685","0.0007","90","","112.542","0.002","90","","2982","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ag Au F10 S6 -","- C24 H24 Ag Au F10 S6 -","- C96 H96 Ag4 Au4 F40 S24 -","4","1","","Blake, Alexander J.; Donamaría, Rocío; Lippolis, Vito; López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena","Influence of crown thioether ligands in the structures and of perhalophenyl groups in the optical properties of complexes with argentoaurophilic interactions.","Inorganic chemistry","2014","53","19","10471","10484","10.1021/ic501515c","","","0.71073","MoKα","","0.0359","0.032","","","0.0791","0.0823","","","","","","1.02","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00",""
"4341471","9.7697","0.0006","10.342","0.0006","13.2998","0.0008","69.799","0.003","80.194","0.003","72.771","0.003","1201.06","0.13","170","2","170","2","","","","","","","synthesis as described","6","P -1","-P 1","2","em26rd72 But/Hex","","","- C40 H32 Ag2 Au2 F20 S8 -","- C40 H32 Ag2 Au2 F20 S8 -","- C40 H32 Ag2 Au2 F20 S8 -","1","0.5","","Blake, Alexander J.; Donamaría, Rocío; Lippolis, Vito; López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena","Influence of crown thioether ligands in the structures and of perhalophenyl groups in the optical properties of complexes with argentoaurophilic interactions.","Inorganic chemistry","2014","53","19","10471","10484","10.1021/ic501515c","","x-ray","0.71073","MoKα","","0.0375","0.0326","","","0.0826","0.087","","","","","","1.055","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341472","14.9822","0.0004","16.5538","0.0005","21.8707","0.0004","96.934","0.002","94.5451","0.0018","112.432","0.003","4930.5","0.2","99.8","0.5","99.8","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C102 H96 Cu4 F12 N4 O2 P10 S -","- C102 H96 Cu4 F12 N4 O2 P10 S -","- C204 H192 Cu8 F24 N8 O4 P20 S2 -","2","1","","Johnson, Brittany J.; Lindeman, Sergey V.; Mankad, Neal P.","Assembly, Structure, and Reactivity of Cu4S and Cu3S Models for the Nitrous Oxide Reductase Active Site, CuZ*.","Inorganic chemistry","2014","53","19","10611","10619","10.1021/ic501720h","","","1.54184","CuKα","","0.0488","0.0404","","","0.1028","0.1096","","","","","","1.026","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341473","22.6945","0.0007","22.6945","0.0007","9.9881","0.0005","90","","90","","120","","4455.1","0.3","100","0.1","100","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C72 H63 Cu3 N3 P6 S -","- C72 H63 Cu3 N3 P6 S -","- C144 H126 Cu6 N6 P12 S2 -","2","0.333333","","Johnson, Brittany J.; Lindeman, Sergey V.; Mankad, Neal P.","Assembly, Structure, and Reactivity of Cu4S and Cu3S Models for the Nitrous Oxide Reductase Active Site, CuZ*.","Inorganic chemistry","2014","53","19","10611","10619","10.1021/ic501720h","","","1.5418","CuKα","","0.0876","0.0773","","","0.2178","0.2253","","","","","","1.055","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00",""
"4341474","14.792","0.0003","16.0721","0.0004","18.7434","0.0004","83.8839","0.0017","86.2996","0.0015","77.4184","0.0017","4320.35","0.17","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C78 H144 Cu3 F6 O P7 S -","- C78 H144 Cu3 F6 O P7 S -","- C156 H288 Cu6 F12 O2 P14 S2 -","2","1","","Johnson, Brittany J.; Lindeman, Sergey V.; Mankad, Neal P.","Assembly, Structure, and Reactivity of Cu4S and Cu3S Models for the Nitrous Oxide Reductase Active Site, CuZ*.","Inorganic chemistry","2014","53","19","10611","10619","10.1021/ic501720h","","","1.54184","CuKα","","0.0302","0.028","","","0.0734","0.075","","","","","","1.056","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00",""
"4341475","13.105","0.0002","22.7156","0.0003","29.5406","0.0004","79.6448","0.001","82.6818","0.0013","75.0872","0.0013","8328.8","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H87 Cu3 F6 N9 O3 P7 -","- C84 H87 Cu3 F6 N9 O3 P7 -","- C336 H348 Cu12 F24 N36 O12 P28 -","4","2","","Johnson, Brittany J.; Lindeman, Sergey V.; Mankad, Neal P.","Assembly, Structure, and Reactivity of Cu4S and Cu3S Models for the Nitrous Oxide Reductase Active Site, CuZ*.","Inorganic chemistry","2014","53","19","10611","10619","10.1021/ic501720h","","","1.54184","CuKα","","0.0499","0.0423","","","0.1062","0.1131","","","","","","1.018","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00",""
"4341476","13.7161","0.0003","13.9702","0.0004","20.598","0.0005","108.46","0.002","90.8367","0.0019","118.571","0.003","3221.96","0.19","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C72 H63 Cu3 I N3 P6 S -","- C72 H63 Cu3 I N3 P6 S -","- C144 H126 Cu6 I2 N6 P12 S2 -","2","1","","Johnson, Brittany J.; Lindeman, Sergey V.; Mankad, Neal P.","Assembly, Structure, and Reactivity of Cu4S and Cu3S Models for the Nitrous Oxide Reductase Active Site, CuZ*.","Inorganic chemistry","2014","53","19","10611","10619","10.1021/ic501720h","","","1.54184","CuKα","","0.0476","0.0447","","","0.1148","0.1168","","","","","","1.083","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00",""
"4341477","13.0898","0.0006","18.5702","0.001","19.7003","0.001","107.339","0.0016","101.442","0.0015","98.139","0.0016","4376","0.4","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H82 Cu3 F6 I2 N3 O6 P7 -","- C84 H82 Cu3 F6 I2 N3 O3 P7 -","- C168 H164 Cu6 F12 I4 N6 O6 P14 -","2","1","","Johnson, Brittany J.; Lindeman, Sergey V.; Mankad, Neal P.","Assembly, Structure, and Reactivity of Cu4S and Cu3S Models for the Nitrous Oxide Reductase Active Site, CuZ*.","Inorganic chemistry","2014","53","19","10611","10619","10.1021/ic501720h","","","0.71073","","","0.1045","0.0511","","","0.1359","0.1733","","","","","","1.004","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00",""
"4341478","13.3007","0.0004","15.2241","0.0004","18.5888","0.0005","94.085","0.001","110.098","0.001","114.038","0.001","3128.88","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H69 Fe Mn N8 O3.5 P2 -","- C70 H69 Fe Mn N8 O3.5 P2 -","- C140 H138 Fe2 Mn2 N16 O7 P4 -","2","1","","Rams, Michał; Peresypkina, Eugenia V.; Mironov, Vladimir S.; Wernsdorfer, Wolfgang; Vostrikova, Kira E.","Magnetic Relaxation of 1D Coordination Polymers (X)2[Mn(acacen)Fe(CN)6], X = Ph4P(+), Et4N(+).","Inorganic chemistry","2014","53","19","10291","10300","10.1021/ic501330j","","","0.71073","MoKα","","0.0698","0.0464","","","0.1053","0.12","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341479","11.4064","0.0007","4.2702","0.0003","11.8762","0.0008","90","","90","","90","","578.46","0.07","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As2 Ca3 H Li -","- As2 Ca3 H Li -","- As8 Ca12 H4 Li4 -","4","0.5","","Blankenship, Trevor V.; Wang, Xiaoping; Hoffmann, Christina; Latturner, Susan E.","LiCa3As2H and Ca14As6X7 (X = C, H, N): Two New Arsenide Hydride Phases Grown from Ca/Li Metal Flux.","Inorganic chemistry","2014","53","19","10620","10626","10.1021/ic501722d","","","0.71073","MoKα","","0.0145","0.0135","","","0.0321","0.0326","","","","","","1.198","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341480","15.7493","0.0015","15.7493","0.0015","9.1062","0.0009","90","","90","","90","","2258.7","0.4","173","2","173","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- C0.45 H5 As6 Ca14 N1.12 -","- C0.445 H4.915 As6 Ca14 N1.135 -","- C1.78 H19.66 As24 Ca56 N4.54 -","4","0.25","","Blankenship, Trevor V.; Wang, Xiaoping; Hoffmann, Christina; Latturner, Susan E.","LiCa3As2H and Ca14As6X7 (X = C, H, N): Two New Arsenide Hydride Phases Grown from Ca/Li Metal Flux.","Inorganic chemistry","2014","53","19","10620","10626","10.1021/ic501722d","","","0.71073","MoKα","","0.017","0.0165","","","0.0419","0.0421","","","","","","1.135","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341481","15.7027","0.0002","15.7027","0.0002","9.1043","0.0002","90","","90","","90","","2244.89","0.06","100","2","100","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- C0.445 H4.915 As6 Ca14 N1.135 -","- C0.445 H4.915 As6 Ca14 N1.135 -","- C1.78 H19.66 As24 Ca56 N4.54 -","4","0.25","","Blankenship, Trevor V.; Wang, Xiaoping; Hoffmann, Christina; Latturner, Susan E.","LiCa3As2H and Ca14As6X7 (X = C, H, N): Two New Arsenide Hydride Phases Grown from Ca/Li Metal Flux.","Inorganic chemistry","2014","53","19","10620","10626","10.1021/ic501722d","","","","neutron","","0.0547","0.0541","","","0.0927","0.093","","","","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341482","23.7317","0.0015","17.1337","0.0007","27.681","0.002","90","","90","","90","","11255.4","1.2","150","2","150","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C45 H30 N12 O9 Re3 -","- C45 H30 N12 O9 Re3 -","- C360 H240 N96 O72 Re24 -","8","","","Shankar, Bhaskaran; Elumalai, Palani; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy","Spheroid metallocavitands with eight calixarene-shaped receptors on the surface.","Inorganic chemistry","2014","53","19","10018","10020","10.1021/ic5014895","","","0.71073","MoKα","","0.1588","0.1131","","","0.2525","0.2637","","","","","","1.225","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341483","25.9609","0.0005","16.7409","0.0004","27.4125","0.0006","90","","90","","90","","11913.7","0.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C128 H90 N24 O19 Re6 -","- C128 H88 N24 O19 Re6 -","- C512 H352 N96 O76 Re24 -","4","1","","Shankar, Bhaskaran; Elumalai, Palani; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy","Spheroid metallocavitands with eight calixarene-shaped receptors on the surface.","Inorganic chemistry","2014","53","19","10018","10020","10.1021/ic5014895","","","0.71073","MoKα","","0.0343","0.0291","","","0.0537","0.0555","","","","","","1.035","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341484","15.2036","0.0005","26.6716","0.0007","17.0589","0.0007","90","","109.411","0.004","90","","6524.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C140 H104 N24 O22 Re6 -","- C140 H96 N24 O22 Re6 -","- C280 H192 N48 O44 Re12 -","2","0.5","","Shankar, Bhaskaran; Elumalai, Palani; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy","Spheroid metallocavitands with eight calixarene-shaped receptors on the surface.","Inorganic chemistry","2014","53","19","10018","10020","10.1021/ic5014895","","","0.71073","MoKα","","0.0445","0.0339","","","0.0682","0.0721","","","","","","1.113","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341485","15.6698","0.0005","25.8978","0.0007","15.7823","0.0006","90","","105.158","0.004","90","","6181.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H90 N30 O22 Re6 -","- C120 H90 N30 O22 Re6 -","- C240 H180 N60 O44 Re12 -","2","0.5","","Shankar, Bhaskaran; Elumalai, Palani; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy","Spheroid metallocavitands with eight calixarene-shaped receptors on the surface.","Inorganic chemistry","2014","53","19","10018","10020","10.1021/ic5014895","","","0.71073","MoKα","","0.0874","0.0694","","","0.1554","0.1655","","","","","","1.116","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341486","10.282","0.0005","11.0297","0.0006","19.1468","0.001","99.617","0.002","101.878","0.003","98.525","0.003","2057.16","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 N12 Ni2 O14 -","- C38 H36 N12 Ni2 O14 -","- C76 H72 N24 Ni4 O28 -","2","1","","Bhardwaj, Vimal K.; Singh, Ajnesh","Comparative DNA Binding Abilities and Phosphatase-Like Activities of Mono-, Di-, and Trinuclear Ni(II) Complexes: The Influence of Ligand Denticity, Metal-Metal Distance, and Coordinating Solvent/Anion on Kinetics Studies.","Inorganic chemistry","2014","53","19","10731","10742","10.1021/ic501961d","","","0.71073","MoKα","","0.2017","0.0782","","","0.1527","0.1807","","","","","","0.935","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341487","11.352","0.004","10.914","0.004","24.893","0.009","90","","90.047","0.005","90","","3084.1","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H30 N4 O Pd -","- C39 H30 N4 O Pd -","- C156 H120 N16 O4 Pd4 -","4","1","","Chatterjee, Tamal; Ravikanth, Mangalampalli","Synthesis, Structure, and Catalytic Activity of Pd(II) Complex of Calixoxasmaragdyrin.","Inorganic chemistry","2014","53","19","10520","10526","10.1021/ic501595f","","","0.71075","MoKα","","0.0831","0.0705","","","0.1171","0.1227","","","","","","1.157","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341488","22.801","0.003","8.5162","0.0008","19.626","0.002","90","","112.904","0.004","90","","3510.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 K2 O12 Te2 -","- C24 H48 K2 O12 Te2 -","- C96 H192 K8 O48 Te8 -","4","0.5","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of terminal monochalcogenide and dichalcogenide complexes of uranium using polychalcogenides, [en](2-) (e = te, N = 2; e = se, N = 4), as chalcogen atom transfer reagents.","Inorganic chemistry","2014","53","19","10240","10247","10.1021/ic501267f","","","0.71073","MoKα","","0.058","0.0351","","","0.0707","0.0784","","","","","","0.96","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341489","11.589","0.007","22.747","0.014","43.62","0.03","102.44","0.008","93.421","0.006","102.2","0.007","10908","12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H83 K N3 O6.5 Si6 Te U -","- C32 H72.75 K N3 O6.5 Si6 Te U -","- C256 H582 K8 N24 O52 Si48 Te8 U8 -","8","4","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of terminal monochalcogenide and dichalcogenide complexes of uranium using polychalcogenides, [en](2-) (e = te, N = 2; e = se, N = 4), as chalcogen atom transfer reagents.","Inorganic chemistry","2014","53","19","10240","10247","10.1021/ic501267f","","","0.71073","MoKα","","0.1924","0.1425","","","0.2828","0.2998","","","","","","1.645","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341490","11.1133","0.0012","14.6606","0.0017","17.909","0.002","88.872","0.002","88.828","0.002","69.715","0.002","2736.1","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H83 K N3 O6.5 Si6 Te2 U -","- C32 H78 K N3 O6.5 Si6 Te2 U -","- C64 H156 K2 N6 O13 Si12 Te4 U2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of terminal monochalcogenide and dichalcogenide complexes of uranium using polychalcogenides, [en](2-) (e = te, N = 2; e = se, N = 4), as chalcogen atom transfer reagents.","Inorganic chemistry","2014","53","19","10240","10247","10.1021/ic501267f","","","0.71073","MoKα","","0.0366","0.0272","","","0.0562","0.0609","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341491","8.3377","0.0012","23.532","0.004","21.837","0.003","90","","90","","90","","4284.5","1.1","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H54 K2 N2 O12 Se4 -","- C28 H46 K2 N2 O12 Se4 -","- C112 H184 K8 N8 O48 Se16 -","4","0.5","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of terminal monochalcogenide and dichalcogenide complexes of uranium using polychalcogenides, [en](2-) (e = te, N = 2; e = se, N = 4), as chalcogen atom transfer reagents.","Inorganic chemistry","2014","53","19","10240","10247","10.1021/ic501267f","","","0.71073","MoKα","","0.1389","0.0748","","","0.1995","0.237","","","","","","1.053","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341492","13.2894","0.0006","17.7878","0.0008","22.4872","0.0008","90","","105.602","0.002","90","","5119.9","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30 H78 K N3 O6 Se2 Si6 U -","- C30 H78 K N3 O6 Se2 Si6 U -","- C120 H312 K4 N12 O24 Se8 Si24 U4 -","4","2","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of terminal monochalcogenide and dichalcogenide complexes of uranium using polychalcogenides, [en](2-) (e = te, N = 2; e = se, N = 4), as chalcogen atom transfer reagents.","Inorganic chemistry","2014","53","19","10240","10247","10.1021/ic501267f","","","0.71073","MoKα","","0.05","0.0408","","","0.0916","0.0961","","","","","","0.998","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341493","12.8177","0.0017","18.78","0.003","21.833","0.003","91.64","0.002","106.308","0.002","92.187","0.002","5036.2","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H78 K N3 O6 Se Si6 U -","- C30 H78 K N3 O6 Se Si6 U -","- C120 H312 K4 N12 O24 Se4 Si24 U4 -","4","2","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Synthesis of terminal monochalcogenide and dichalcogenide complexes of uranium using polychalcogenides, [en](2-) (e = te, N = 2; e = se, N = 4), as chalcogen atom transfer reagents.","Inorganic chemistry","2014","53","19","10240","10247","10.1021/ic501267f","","","0.71073","MoKα","","0.0898","0.0748","","","0.1894","0.1933","","","","","","1.561","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341494","12.1133","0.0004","12.7626","0.0005","12.9724","0.0005","83.839","0.003","67.379","0.003","81.747","0.003","1829.06","0.12","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","Poly[tetrakis-[1,3-di(1,2,4-triazol-4-yl)adamantane]-dicopper(II) beta-octamolybdate(VI)]","","- C56 H72 Cu2 Mo8 N24 O26 -","- C56 H72 Cu2 Mo8 N24 O26 -","- C56 H72 Cu2 Mo8 N24 O26 -","1","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Babaryk, Artem A.; Rusanov, Eduard B.; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Domasevitch, Konstantin V.","Triazolyl-based copper-molybdate hybrids: from composition space diagram to magnetism and catalytic performance.","Inorganic chemistry","2014","53","19","10112","10121","10.1021/ic5009736","","","0.71073","MoKα","","0.1223","0.0605","","","0.103","0.119","","","","","","0.903","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4341495","16.3312","0.0012","22.4553","0.0014","12.414","0.0007","90","","90","","90","","4552.5","0.5","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","Poly[bis-[1,3-di(1,2,4-triazol-4-yl)adamantane]-mu4-oxido- tetracopper(II) tris-molybdate(VI)], 7.5 hydrate","","- C28 H51 Cu4 Mo3 N12 O20.5 -","- C28 H36 Cu4 Mo3 N12 O20.5 -","- C112 H144 Cu16 Mo12 N48 O82 -","4","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Babaryk, Artem A.; Rusanov, Eduard B.; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Domasevitch, Konstantin V.","Triazolyl-based copper-molybdate hybrids: from composition space diagram to magnetism and catalytic performance.","Inorganic chemistry","2014","53","19","10112","10121","10.1021/ic5009736","","","0.71073","MoKα","","0.1538","0.0651","","","0.1259","0.1551","","","","","","1.048","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4341496","9.356","0.0007","11.5131","0.0007","31.1479","0.0017","90","","90","","90","","3355.1","0.4","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[bis-[1,3-di(1,2,4-triazol-4-yl)adamantane]-dicopper(I) dimolybdate(VI)]","","- C28 H38 Cu2 Mo2 N12 O8 -","- C28 H38 Cu2 Mo2 N12 O8 -","- C112 H152 Cu8 Mo8 N48 O32 -","4","1","","Senchyk, Ganna A.; Lysenko, Andrey B.; Babaryk, Artem A.; Rusanov, Eduard B.; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Domasevitch, Konstantin V.","Triazolyl-based copper-molybdate hybrids: from composition space diagram to magnetism and catalytic performance.","Inorganic chemistry","2014","53","19","10112","10121","10.1021/ic5009736","","","0.71073","MoKα","","0.0453","0.0281","","","0.0459","0.0484","","","","","","0.8","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4341497","5.3507","0.0002","5.5765","0.0003","7.6182","0.0004","103.81","0.003","106.336","0.003","97.228","0.003","207.24","0.018","296","2","296","2","","","","","","","","4","P -1","-P 1","2","triclinic polymorph of lindgrenite","Poly[bis-(mu3-hydroxido)-bis-molybdate(VI) tricopper(II)]","","- Cu3 H2 Mo2 O10 -","- Cu3 H2 Mo2 O10 -","- Cu3 H2 Mo2 O10 -","1","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Babaryk, Artem A.; Rusanov, Eduard B.; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Domasevitch, Konstantin V.","Triazolyl-based copper-molybdate hybrids: from composition space diagram to magnetism and catalytic performance.","Inorganic chemistry","2014","53","19","10112","10121","10.1021/ic5009736","","","0.71073","MoKα","","0.0358","0.03","","","0.057","0.0596","","","","","","1.116","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4341498","9.179","0.008","9.762","0.008","15.465","0.01","90","","126.03","0.03","90","","1120.7","1.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 B2 Co F4 N4 O6 -","- C16 H28 B2 Co F4 N4 O6 -","- C32 H56 B4 Co2 F8 N8 O12 -","2","0.5","","Li, Gang; Estes, Deven P.; Norton, Jack R.; Ruccolo, Serge; Sattler, Aaron; Sattler, Wesley","Dihydrogen activation by cobaloximes with various axial ligands.","Inorganic chemistry","2014","53","19","10743","10747","10.1021/ic501975r","","","0.71073","MoKα","","0.1456","0.0588","","","0.1653","0.214","","","","","","1","","","","has coordinates,has disorder","179517","2020-10-21","18:00:00",""
"4341499","8.5877","0.0019","11.747","0.003","9.73","0.002","90","","114.822","0.003","90","","890.9","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B2 Co F4 N6 O4 -","- C12 H18 B2 Co F4 N6 O4 -","- C24 H36 B4 Co2 F8 N12 O8 -","2","0.5","","Li, Gang; Estes, Deven P.; Norton, Jack R.; Ruccolo, Serge; Sattler, Aaron; Sattler, Wesley","Dihydrogen activation by cobaloximes with various axial ligands.","Inorganic chemistry","2014","53","19","10743","10747","10.1021/ic501975r","","","0.71073","MoKα","","0.0326","0.0269","","","0.0701","0.0735","","","","","","1.041","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341500","3.99399","0.00004","3.99399","","9.15486","0.00008","90","","90","","90","","146.038","0.0019","295","","295","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","Bismuth oxide iodide","Bismuth oxide iodide","","- Bi I O -","- Bi I O -","- Bi2 I2 O2 -","2","0.125","","Kandanapitiye, Murthi S.; Gao, Min; Molter, Joseph; Flask, Chris A.; Huang, Songping D.","Synthesis, Characterization, and X-ray Attenuation Properties of Ultrasmall BiOI Nanoparticles: Toward Renal Clearable Particulate CT Contrast Agents.","Inorganic chemistry","2014","53","19","10189","10194","10.1021/ic5011709","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.0158","0.0158","1.39","","","","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341501","10.075","0.0006","12.71","0.0008","19.6116","0.001","90","","90.334","0.004","90","","2511.3","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 B Hg I N3 S6 -","- C21 H13 B Hg I N3 S6 -","- C84 H52 B4 Hg4 I4 N12 S24 -","4","1","","Rajasekharan-Nair, Rajeev; Moore, Dean; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.","The stability of mercaptobenzothiazole based soft scorpionate complexes.","Inorganic chemistry","2014","53","19","10276","10282","10.1021/ic5013236","","","0.71073","MoKα","","0.0269","0.0218","","","0.0431","0.0451","","","","","","1.008","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341502","9.6385","0.0007","12.7847","0.0008","16.1011","0.001","98.895","0.005","105.408","0.006","105.274","0.006","1790.6","0.2","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H20 B Hg I3 N4 O S5 -","- C24 H20 B Hg I3 N4 O S5 -","- C48 H40 B2 Hg2 I6 N8 O2 S10 -","2","1","","Rajasekharan-Nair, Rajeev; Moore, Dean; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.","The stability of mercaptobenzothiazole based soft scorpionate complexes.","Inorganic chemistry","2014","53","19","10276","10282","10.1021/ic5013236","","","0.71073","MoKα","","0.0834","0.0643","","","0.1767","0.1956","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341503","10.979","0.005","23.013","0.005","25.042","0.005","88.715","0.005","87.294","0.005","82.975","0.005","6272","3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H38 B2 I3 N8 O2 S11 Sb -","- C48 H38 B2 I3 N8 O2 S11 Sb -","- C192 H152 B8 I12 N32 O8 S44 Sb4 -","4","2","","Rajasekharan-Nair, Rajeev; Moore, Dean; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.","The stability of mercaptobenzothiazole based soft scorpionate complexes.","Inorganic chemistry","2014","53","19","10276","10282","10.1021/ic5013236","","","0.71073","MoKα","","0.1472","0.1075","","","0.2534","0.2728","","","","","","1.129","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341504","31.724","0.005","31.724","0.005","12.618","0.005","90","0.005","90","0.005","120","0.005","10998","5","123","2","123","2","","","","","","","synthesis as described","6","R -3 :H","-R 3","148","","","","- C21 H13 B I N3 S5 -","- C21 H13 B I N3 S5 -","- C378 H234 B18 I18 N54 S90 -","18","1","","Rajasekharan-Nair, Rajeev; Moore, Dean; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.","The stability of mercaptobenzothiazole based soft scorpionate complexes.","Inorganic chemistry","2014","53","19","10276","10282","10.1021/ic5013236","","x-ray","0.71073","MoKα","","0.0484","0.0357","","","0.097","0.1032","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341505","10.0704","0.0004","10.7107","0.0006","24.3308","0.001","83.541","0.004","87.005","0.003","78.366","0.004","2552.9","0.2","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H56 B Bi I3 N5 O S6 -","- C40 H56 B Bi I3 N5 O S6 -","- C80 H112 B2 Bi2 I6 N10 O2 S12 -","2","1","","Rajasekharan-Nair, Rajeev; Moore, Dean; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.","The stability of mercaptobenzothiazole based soft scorpionate complexes.","Inorganic chemistry","2014","53","19","10276","10282","10.1021/ic5013236","","","0.71073","MoKα","","0.1397","0.0653","","","0.1085","0.1233","","","","","","0.876","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341506","15.1874","0.0014","30.9071","0.0018","15.8134","0.0015","90","","117.846","0.012","90","","6563.3","1.2","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 Bi4 I12 N8 O8 -","- C24 H49 Bi4 I12 N8 O8 -","- C96 H196 Bi16 I48 N32 O32 -","4","1","","Rajasekharan-Nair, Rajeev; Moore, Dean; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.","The stability of mercaptobenzothiazole based soft scorpionate complexes.","Inorganic chemistry","2014","53","19","10276","10282","10.1021/ic5013236","","x-ray","0.71073","MoKα","","0.0814","0.0423","","","0.0758","0.0819","","","","","","0.869","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341507","7.765","0.005","6.937","0.005","14.448","0.005","90","0.005","95.111","0.005","90","0.005","775.2","0.8","293","2","123","2","","","","","","","synthesis as described","6","P 1 2/n 1","-P 2yac","13","","","","- C7 H5 Br Co0.5 N S -","- C7 H5 Br Co0.5 N S -","- C28 H20 Br4 Co2 N4 S4 -","4","1","","Rajasekharan-Nair, Rajeev; Moore, Dean; Kennedy, Alan R.; Reglinski, John; Spicer, Mark D.","The stability of mercaptobenzothiazole based soft scorpionate complexes.","Inorganic chemistry","2014","53","19","10276","10282","10.1021/ic5013236","","x-ray","0.71073","MoKα","","0.0611","0.0293","","","0.0456","0.0482","","","","","","0.805","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341508","13.9076","0.0003","15.3898","0.0003","18.0075","0.0004","87.299","0.001","68.625","0.001","84.629","0.001","3573.01","0.13","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C146 H122 Cl12 N12 O26 Pb5 -","- C146 H122 Cl12 N12 O26 Pb5 -","- C146 H122 Cl12 N12 O26 Pb5 -","1","0.5","","Le Gac, Stéphane; Furet, Eric; Roisnel, Thierry; Hijazi, Ismail; Halet, Jean-François; Boitrel, Bernard","A Pentanuclear Lead(II) Complex Based on a Strapped Porphyrin with Three Different Coordination Modes.","Inorganic chemistry","2014","53","19","10660","10666","10.1021/ic5017824","","x-ray","0.71073","MoKα","","0.0791","0.0527","","","0.1213","0.1322","","","","","","1.026","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341509","8.929","0.003","22.93","0.008","9.205","0.003","90","","117.449","0.006","90","","1672.5","1","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H10 F10 Fe2 N6 O6 P6 -","- C22 H10 F10 Fe2 N6 O6 P6 -","- C44 H20 F20 Fe4 N12 O12 P12 -","2","0.5","","Kumar, Dheeraj; Singh, Nem; Elias, Anil J.; Malik, Pauline; Allen, Christopher W.","Reactions of alkyne- and butadiyne-derived fluorinated cyclophosphazenes with diiron and dimolybdenum carbonyls.","Inorganic chemistry","2014","53","19","10674","10684","10.1021/ic501821v","","","0.71073","MoKα","","0.1142","0.0883","","","0.154","0.1636","","","","","","1.277","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341510","14.063","0.003","15.562","0.003","19.314","0.004","90","","90","","90","","4226.8","1.5","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H15 F15 Fe N9 O3 P9 -","- C27 H15 F15 Fe N9 O3 P9 -","- C108 H60 F60 Fe4 N36 O12 P36 -","4","1","","Kumar, Dheeraj; Singh, Nem; Elias, Anil J.; Malik, Pauline; Allen, Christopher W.","Reactions of alkyne- and butadiyne-derived fluorinated cyclophosphazenes with diiron and dimolybdenum carbonyls.","Inorganic chemistry","2014","53","19","10674","10684","10.1021/ic501821v","","","0.71073","MoKα","","0.081","0.0713","","","0.1372","0.1412","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341511","15.215","0.003","10.924","0.002","19.809","0.004","90","","109.111","0.004","90","","3111","1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 F10 Fe N6 O4 P6 -","- C20 H10 F10 Fe N6 O4 P6 -","- C80 H40 F40 Fe4 N24 O16 P24 -","4","1","","Kumar, Dheeraj; Singh, Nem; Elias, Anil J.; Malik, Pauline; Allen, Christopher W.","Reactions of alkyne- and butadiyne-derived fluorinated cyclophosphazenes with diiron and dimolybdenum carbonyls.","Inorganic chemistry","2014","53","19","10674","10684","10.1021/ic501821v","","","0.71073","MoKα","","0.104","0.052","","","0.1024","0.1181","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341512","10.031","0.002","10.601","0.003","15.137","0.004","77.944","0.004","76.747","0.004","71.353","0.004","1468.4","0.6","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H19 F5 Fe Mo2 N3 O4 P3 -","- C26 H19 F5 Fe Mo2 N3 O4 P3 -","- C52 H38 F10 Fe2 Mo4 N6 O8 P6 -","2","1","","Kumar, Dheeraj; Singh, Nem; Elias, Anil J.; Malik, Pauline; Allen, Christopher W.","Reactions of alkyne- and butadiyne-derived fluorinated cyclophosphazenes with diiron and dimolybdenum carbonyls.","Inorganic chemistry","2014","53","19","10674","10684","10.1021/ic501821v","","","0.71073","MoKα","","0.048","0.0389","","","0.1073","0.1274","","","","","","1.166","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341513","8.3549","0.0011","11.0813","0.0014","15.788","0.002","69.946","0.002","84.218","0.002","84.831","0.002","1363.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H15 F5 Mo2 N3 O4 P3 -","- C24 H15 F5 Mo2 N3 O4 P3 -","- C48 H30 F10 Mo4 N6 O8 P6 -","2","1","","Kumar, Dheeraj; Singh, Nem; Elias, Anil J.; Malik, Pauline; Allen, Christopher W.","Reactions of alkyne- and butadiyne-derived fluorinated cyclophosphazenes with diiron and dimolybdenum carbonyls.","Inorganic chemistry","2014","53","19","10674","10684","10.1021/ic501821v","","","0.71073","MoKα","","0.0473","0.0396","","","0.1274","0.1476","","","","","","1.155","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341514","8.291","0.002","12.889","0.003","14.814","0.004","81.028","0.004","87.829","0.004","83.208","0.004","1552.4","0.7","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H19 F5 Fe Mo2 N3 O4 P3 -","- C28 H19 F5 Fe Mo2 N3 O4 P3 -","- C56 H38 F10 Fe2 Mo4 N6 O8 P6 -","2","1","","Kumar, Dheeraj; Singh, Nem; Elias, Anil J.; Malik, Pauline; Allen, Christopher W.","Reactions of alkyne- and butadiyne-derived fluorinated cyclophosphazenes with diiron and dimolybdenum carbonyls.","Inorganic chemistry","2014","53","19","10674","10684","10.1021/ic501821v","","","0.71073","MoKα","","0.0605","0.0452","","","0.0849","0.09","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341515","19.3996","0.0018","15.3683","0.0012","30.582","0.003","90","","90","","90","","9117.7","1.4","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Bromo[4-(diphenylphosphino)bencoic acid]gold(I)","","- C20 H16 Au Br Cl3 O2 P -","- C20 H16 Au Br Cl3 O2 P -","- C320 H256 Au16 Br16 Cl48 O32 P16 -","16","2","","Kriechbaum, Margit; List, Manuela; Himmelsbach, Markus; Redhammer, Günther J; Monkowius, Uwe","Peptide Coupling between Amino Acids and the Carboxylic Acid of a Functionalized Chlorido-gold(I)-phosphane.","Inorganic chemistry","2014","53","19","10602","10610","10.1021/ic5017142","","","0.71073","MoKα","","0.0453","0.0324","","","0.0752","0.0824","","","","","","1.034","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4341516","9.089","","9.769","","17.242","","73.95","","87.38","","72.36","","1400.86","","298","2","298","2","","","","","","","","7","P 1","P 1","1","","","","- C53 H58 Au2 Cl4 N2 O6 P2 -","- C53 H58 Au2 Cl4 N2 O6 P2 -","- C53 H58 Au2 Cl4 N2 O6 P2 -","1","1","","Kriechbaum, Margit; List, Manuela; Himmelsbach, Markus; Redhammer, Günther J; Monkowius, Uwe","Peptide Coupling between Amino Acids and the Carboxylic Acid of a Functionalized Chlorido-gold(I)-phosphane.","Inorganic chemistry","2014","53","19","10602","10610","10.1021/ic5017142","","","0.71073","MoKα","","0.0517","0.0419","","","0.0877","0.0921","","","","","","0.992","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341517","8.7592","0.0002","12.8293","0.0003","16.0382","0.0003","79.709","0.001","84.079","0.001","75.738","0.001","1715.33","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H36 N10 Ni -","- C40 H36 N10 Ni -","- C80 H72 N20 Ni2 -","2","1","","Hewage, Jeewantha S.; Wanniarachchi, Sarath; Morin, Tyler J.; Liddle, Brendan J.; Banaszynski, Megan; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Homoleptic Nickel(II) Complexes of Redox-Tunable Pincer-type Ligands.","Inorganic chemistry","2014","53","19","10070","10084","10.1021/ic500657e","","","1.54178","CuKα","","0.0331","0.0308","","","0.0788","0.0804","","","","","","1","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341518","9.55338","0.00011","17.50145","0.00018","40.5845","0.0005","90","","93.2065","0.0012","90","","6775.02","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Cl2 N10 Ni -","- C37 H30 Cl2 N10 Ni -","- C296 H240 Cl16 N80 Ni8 -","8","2","","Hewage, Jeewantha S.; Wanniarachchi, Sarath; Morin, Tyler J.; Liddle, Brendan J.; Banaszynski, Megan; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Homoleptic Nickel(II) Complexes of Redox-Tunable Pincer-type Ligands.","Inorganic chemistry","2014","53","19","10070","10084","10.1021/ic500657e","","","1.5418","CuKα","","0.0467","0.0373","","","0.086","0.0895","","","","","","1.037","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341519","8.7709","0.0003","12.8252","0.0004","16.1692","0.0005","80.012","0.002","83.86","0.002","76.027","0.002","1734.24","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Br2 N10 Ni -","- C38 H30 Br2 N10 Ni -","- C76 H60 Br4 N20 Ni2 -","2","1","","Hewage, Jeewantha S.; Wanniarachchi, Sarath; Morin, Tyler J.; Liddle, Brendan J.; Banaszynski, Megan; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Homoleptic Nickel(II) Complexes of Redox-Tunable Pincer-type Ligands.","Inorganic chemistry","2014","53","19","10070","10084","10.1021/ic500657e","","","1.54178","CuKα","","0.0491","0.0454","","","0.0963","0.0977","","","","","","1.244","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341520","8.9877","0.0002","13.0879","0.0002","16.339","0.0003","79.745","0.001","84.06","0.001","74.185","0.001","1816.6","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 F6 N10 Ni -","- C40 H30 F6 N10 Ni -","- C80 H60 F12 N20 Ni2 -","2","1","","Hewage, Jeewantha S.; Wanniarachchi, Sarath; Morin, Tyler J.; Liddle, Brendan J.; Banaszynski, Megan; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Homoleptic Nickel(II) Complexes of Redox-Tunable Pincer-type Ligands.","Inorganic chemistry","2014","53","19","10070","10084","10.1021/ic500657e","","","1.54178","CuKα","","0.0447","0.0431","","","0.1095","0.1107","","","","","","1.054","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341521","17.3591","0.0003","27.8741","0.0005","17.7477","0.0003","90","","102.715","0.0019","90","","8377","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41.29 H32.59 Cl2.59 N12 Ni -","- C41.296 H32.592 Cl2.592 N12 Ni -","- C330.368 H260.736 Cl20.736 N96 Ni8 -","8","2","","Hewage, Jeewantha S.; Wanniarachchi, Sarath; Morin, Tyler J.; Liddle, Brendan J.; Banaszynski, Megan; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Homoleptic Nickel(II) Complexes of Redox-Tunable Pincer-type Ligands.","Inorganic chemistry","2014","53","19","10070","10084","10.1021/ic500657e","","","0.7107","MoKα","","0.1939","0.1005","","","0.2599","0.2906","","","","","","1.022","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341522","9.8514","0.0002","13.9696","0.0003","16.7096","0.0004","100.835","0.0018","98.0479","0.0018","91.2391","0.0018","2233.62","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 N14 Ni O2 -","- C46 H36 N14 Ni O2 -","- C92 H72 N28 Ni2 O4 -","2","1","","Hewage, Jeewantha S.; Wanniarachchi, Sarath; Morin, Tyler J.; Liddle, Brendan J.; Banaszynski, Megan; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Homoleptic Nickel(II) Complexes of Redox-Tunable Pincer-type Ligands.","Inorganic chemistry","2014","53","19","10070","10084","10.1021/ic500657e","","","0.7107","MoKα","","0.0814","0.0663","","","0.1963","0.2108","","","","","","1.037","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341523","14.2132","0.00017","15.60318","0.00016","17.3945","0.0002","90","","103.66","0.0013","90","","3748.48","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H30 N14 Ni O -","- C43 H30 N14 Ni O -","- C172 H120 N56 Ni4 O4 -","4","1","","Hewage, Jeewantha S.; Wanniarachchi, Sarath; Morin, Tyler J.; Liddle, Brendan J.; Banaszynski, Megan; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Homoleptic Nickel(II) Complexes of Redox-Tunable Pincer-type Ligands.","Inorganic chemistry","2014","53","19","10070","10084","10.1021/ic500657e","","","0.7107","MoKα","","0.0592","0.0476","","","0.1128","0.1201","","","","","","1.047","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341524","24.8291","0.0006","9.5433","0.0002","20.573","0.0005","90","","108.734","0.003","90","","4616.5","0.2","99.95","0.1","99.95","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 B2 Cl4 F8 N10 Ni -","- C42 H40 B2 Cl4 F8 N10 Ni -","- C168 H160 B8 Cl16 F32 N40 Ni4 -","4","1","","Hewage, Jeewantha S.; Wanniarachchi, Sarath; Morin, Tyler J.; Liddle, Brendan J.; Banaszynski, Megan; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Homoleptic Nickel(II) Complexes of Redox-Tunable Pincer-type Ligands.","Inorganic chemistry","2014","53","19","10070","10084","10.1021/ic500657e","","","1.5418","CuKα","","0.0732","0.0639","","","0.183","0.1949","","","","","","1.049","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341525","9.2835","0.0002","25.5403","0.0007","20.4839","0.0006","90","","98.748","0.003","90","","4800.3","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H48 B2 F8 N10 Ni -","- C52 H48 B2 F8 N10 Ni -","- C208 H192 B8 F32 N40 Ni4 -","4","1","","Hewage, Jeewantha S.; Wanniarachchi, Sarath; Morin, Tyler J.; Liddle, Brendan J.; Banaszynski, Megan; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Homoleptic Nickel(II) Complexes of Redox-Tunable Pincer-type Ligands.","Inorganic chemistry","2014","53","19","10070","10084","10.1021/ic500657e","","","1.5418","CuKα","","0.0632","0.0596","","","0.1618","0.1672","","","","","","1.037","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341526","37.44","0.006","20.4871","0.0008","22.563","0.008","90","","125.62","0.04","90","","14069","9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H52 Cu4 F24 N16 P4 -","- C56 H52 Cu4 F24 N16 P4 -","- C448 H416 Cu32 F192 N128 P32 -","8","1","","Liu, Bo; Pan, Shanfei; Liu, Bin; Chen, Wanzhi","Di-, tri-, and tetranuclear copper(i) complexes of phenanthroline-linked dicarbene ligands.","Inorganic chemistry","2014","53","19","10485","10497","10.1021/ic501544d","","","0.71073","MoKα","","0.1015","0.0589","","","0.1201","0.1399","","","","","","1.056","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341527","15.2881","0.0004","15.2881","0.0004","14.1017","0.0014","90","","90","","90","","3295.9","0.3","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C64 H48 Cu3 F18 N12 P3 -","- C64 H48 Cu3 F18 N12 P3 -","- C128 H96 Cu6 F36 N24 P6 -","2","0.5","","Liu, Bo; Pan, Shanfei; Liu, Bin; Chen, Wanzhi","Di-, tri-, and tetranuclear copper(i) complexes of phenanthroline-linked dicarbene ligands.","Inorganic chemistry","2014","53","19","10485","10497","10.1021/ic501544d","","","0.71073","MoKα","","0.092","0.0613","","","0.1362","0.1558","","","","","","0.971","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341528","20.459","0.0012","15.9971","0.0008","26.464","0.0018","90","","108.215","0.007","90","","8227.2","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H60 Cu2 F12 N12 O2 P2 -","- C80 H60 Cu2 F12 N12 O2 P2 -","- C320 H240 Cu8 F48 N48 O8 P8 -","4","1","","Liu, Bo; Pan, Shanfei; Liu, Bin; Chen, Wanzhi","Di-, tri-, and tetranuclear copper(i) complexes of phenanthroline-linked dicarbene ligands.","Inorganic chemistry","2014","53","19","10485","10497","10.1021/ic501544d","","","0.71073","MoKα","","0.1009","0.0586","","","0.1106","0.123","","","","","","1.026","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341529","21.1152","0.0017","16.0855","0.0008","23.063","0.002","90","","115.245","0.01","90","","7085.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H64 Cu4 I4 N12 -","- C72 H64 Cu4 I4 N12 -","- C288 H256 Cu16 I16 N48 -","4","0.5","","Liu, Bo; Pan, Shanfei; Liu, Bin; Chen, Wanzhi","Di-, tri-, and tetranuclear copper(i) complexes of phenanthroline-linked dicarbene ligands.","Inorganic chemistry","2014","53","19","10485","10497","10.1021/ic501544d","","","0.71073","MoKα","","0.1046","0.0527","","","0.0965","0.1162","","","","","","1.062","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341530","22.6608","0.0011","13.04","0.0008","25.3241","0.0015","90","","91.247","0.004","90","","7481.4","0.7","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C72 H64 Cu3 F18 N12 P3 -","- C72 H64 Cu3 F18 N12 P3 -","- C288 H256 Cu12 F72 N48 P12 -","4","2","","Liu, Bo; Pan, Shanfei; Liu, Bin; Chen, Wanzhi","Di-, tri-, and tetranuclear copper(i) complexes of phenanthroline-linked dicarbene ligands.","Inorganic chemistry","2014","53","19","10485","10497","10.1021/ic501544d","","","0.71073","MoKα","","0.113","0.0963","","","0.2704","0.2872","","","","","","1.159","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341531","15.8032","0.0009","25.7223","0.0014","17.5863","0.0008","90","","96.175","0.005","90","","7107.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H44 Cu3 F18 N16 P3 -","- C60 H44 Cu3 F18 N16 P3 -","- C240 H176 Cu12 F72 N64 P12 -","4","1","","Liu, Bo; Pan, Shanfei; Liu, Bin; Chen, Wanzhi","Di-, tri-, and tetranuclear copper(i) complexes of phenanthroline-linked dicarbene ligands.","Inorganic chemistry","2014","53","19","10485","10497","10.1021/ic501544d","","","0.71073","MoKα","","0.1078","0.0786","","","0.1564","0.1663","","","","","","1.034","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341532","15.0428","0.0005","16.5362","0.0007","17.0387","0.0007","90.682","0.003","93.796","0.003","98.397","0.003","4182.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 Cu5 I5 N16 -","- C60 H44 Cu5 I5 N16 -","- C120 H88 Cu10 I10 N32 -","2","1","","Liu, Bo; Pan, Shanfei; Liu, Bin; Chen, Wanzhi","Di-, tri-, and tetranuclear copper(i) complexes of phenanthroline-linked dicarbene ligands.","Inorganic chemistry","2014","53","19","10485","10497","10.1021/ic501544d","","","0.71073","MoKα","","0.099","0.0806","","","0.202","0.2186","","","","","","0.929","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341533","7.6046","0.0002","19.8371","0.0007","10.7692","0.0004","90","","94.893","0.003","90","","1618.65","0.09","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C8 H33 Ge3 Mn3 N8 O Se9 -","- C8 H33 Ge3 Mn3 N8 O Se9 -","- C16 H66 Ge6 Mn6 N16 O2 Se18 -","2","0.5","","Zhang, Guodong; Li, Peizhou; Ding, Junfeng; Liu, Yi; Xiong, Wei-Wei; Nie, Lina; Wu, Tom; Zhao, Yanli; Tok, Alfred Iing Yoong; Zhang, Qichun","Surfactant-thermal syntheses, structures, and magnetic properties of mn-ge-sulfides/selenides.","Inorganic chemistry","2014","53","19","10248","10256","10.1021/ic501282d","","","0.71073","MoKα","","0.0571","0.0465","","","0.1265","0.1336","","","","","","1.026","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341534","16.4989","0.0002","14.373","0.0002","13.3276","0.0002","90","","92.611","0.001","90","","3157.21","0.08","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H42 Ge2 Mn N8 Se7 -","- C12 Ge2 Mn N8 Se7 -","- C48 Ge8 Mn4 N32 Se28 -","4","0.5","","Zhang, Guodong; Li, Peizhou; Ding, Junfeng; Liu, Yi; Xiong, Wei-Wei; Nie, Lina; Wu, Tom; Zhao, Yanli; Tok, Alfred Iing Yoong; Zhang, Qichun","Surfactant-thermal syntheses, structures, and magnetic properties of mn-ge-sulfides/selenides.","Inorganic chemistry","2014","53","19","10248","10256","10.1021/ic501282d","","","1.54178","CuKα","","0.0466","0.0445","","","0.1293","0.1317","","","","","","1.066","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341535","6.4841","0.0008","9.3282","0.0014","14.586","0.002","85.438","0.005","86.152","0.004","75.29","0.004","849.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H20 Ge Mn N4 O Se4 -","- C7 Ge Mn N4 O Se4 -","- C14 Ge2 Mn2 N8 O2 Se8 -","2","1","","Zhang, Guodong; Li, Peizhou; Ding, Junfeng; Liu, Yi; Xiong, Wei-Wei; Nie, Lina; Wu, Tom; Zhao, Yanli; Tok, Alfred Iing Yoong; Zhang, Qichun","Surfactant-thermal syntheses, structures, and magnetic properties of mn-ge-sulfides/selenides.","Inorganic chemistry","2014","53","19","10248","10256","10.1021/ic501282d","","","0.71073","MoKα","","0.0871","0.055","","","0.1334","0.1639","","","","","","1.066","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341536","9.1068","0.0018","13.923","0.003","12.75","0.003","90","","90","","90","","1616.6","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Ge2 H12 Mn3 N4 S7 -","- Ge2 H12 Mn3 N4 S7 -","- Ge8 H48 Mn12 N16 S28 -","4","0.5","","Zhang, Guodong; Li, Peizhou; Ding, Junfeng; Liu, Yi; Xiong, Wei-Wei; Nie, Lina; Wu, Tom; Zhao, Yanli; Tok, Alfred Iing Yoong; Zhang, Qichun","Surfactant-thermal syntheses, structures, and magnetic properties of mn-ge-sulfides/selenides.","Inorganic chemistry","2014","53","19","10248","10256","10.1021/ic501282d","","","0.71073","MoKα","","0.0282","0.0247","","","0.0513","0.0524","","","","","","1.12","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341537","21.6452","0.0007","11.2557","0.0004","19.6863","0.0006","90","","107.216","0.002","90","","4581.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-commo-bis(6-(3'-(1''-pyrenyl)-1'-pentyl)-1,2-dicarba- closo-dodecaboranyl) nickel(IV)","","- C46 H58 B18 Ni -","- C46 H58 B18 Ni -","- C184 H232 B72 Ni4 -","4","1","","Safronov, Alexander V.; Shlyakhtina, Natalia I.; Everett, Thomas A.; VanGordon, Monika R.; Sevryugina, Yulia V.; Jalisatgi, Satish S.; Hawthorne, M. Frederick","Direct Observation of Bis(dicarbollyl)nickel Conformers in Solution by Fluorescence Spectroscopy: An Approach to Redox-Controlled Metallacarborane Molecular Motors.","Inorganic chemistry","2014","53","19","10045","10053","10.1021/ic402372c","","","1.54178","Cu-Kα","","0.1501","0.0906","","","0.2386","0.2856","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4341538","12.6968","0.0014","9.6253","0.0012","22.5","0.003","90","","98.429","0.007","90","","2720","0.6","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H66 Co3 N6 O16 -","- C46 H66 Co3 N6 O16 -","- C92 H132 Co6 N12 O32 -","2","0.5","","Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad","Redox-induced change in the ligand coordination mode.","Inorganic chemistry","2014","53","19","10033","10035","10.1021/ic501787m","","","0.71073","MoKα","","0.101","0.0409","","","0.0907","0.1083","","","","","","0.891","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341539","12.339","0.0006","12.3526","0.0007","18.0137","0.0009","90","","98.427","0.002","90","","2716","0.2","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Co N6 O8 -","- C26 H30 Co N6 O8 -","- C104 H120 Co4 N24 O32 -","4","1","","Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad","Redox-induced change in the ligand coordination mode.","Inorganic chemistry","2014","53","19","10033","10035","10.1021/ic501787m","","","1.54178","CuKα","","0.0403","0.039","","","0.1305","0.1327","","","","","","1.098","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341540","11.911","0.0006","16.6789","0.0009","16.7885","0.0009","109.485","0.003","90.903","0.004","92.35","0.003","3140.1","0.3","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H79 Co2 K N3 O16 -","- C46.5 H79 Co2 K N3 O16 -","- C93 H158 Co4 K2 N6 O32 -","2","1","","Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad","Redox-induced change in the ligand coordination mode.","Inorganic chemistry","2014","53","19","10033","10035","10.1021/ic501787m","","","1.54178","CuKα","","0.1566","0.0868","","","0.2368","0.2878","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341541","18.3225","0.0009","17.9617","0.001","27.0801","0.0013","90","","93.68","0.003","90","","8893.8","0.8","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H114 Co3 N12 O23 -","- C78 H114 Co3 N12 O23 -","- C312 H456 Co12 N48 O92 -","4","1","","Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad","Redox-induced change in the ligand coordination mode.","Inorganic chemistry","2014","53","19","10033","10035","10.1021/ic501787m","","","1.54178","CuKα","","0.1525","0.0785","","","0.191","0.2314","","","","","","0.914","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341542","16.0427","0.0004","18.5758","0.0005","26.8534","0.0008","90","","97.558","0.002","90","","7933","0.4","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H89 Co3 N12 O21.5 -","- C66.5 H89 Co3 N12 O21.5 -","- C266 H356 Co12 N48 O86 -","4","1","","Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad","Redox-induced change in the ligand coordination mode.","Inorganic chemistry","2014","53","19","10033","10035","10.1021/ic501787m","","","0.71073","MoKα","","0.108","0.0466","","","0.1031","0.1188","","","","","","0.87","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341543","18.3943","0.0014","17.9262","0.0011","27.312","0.002","90","","93.798","0.005","90","","8986.1","1.1","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H102 Co3 N12 O21 -","- C72 H102 Co3 N12 O21 -","- C288 H408 Co12 N48 O84 -","4","1","","Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad","Redox-induced change in the ligand coordination mode.","Inorganic chemistry","2014","53","19","10033","10035","10.1021/ic501787m","","","0.71073","MoKα","","0.2655","0.0772","","","0.2048","0.2573","","","","","","0.843","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341544","13.34","0.001","15.977","0.001","18.267","0.001","89.253","0.004","81.491","0.002","88.15","0.004","3848.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66.5 H89 Co3 N12 O21.5 -","- C66.5 H89 Co3 N12 O21.5 -","- C133 H178 Co6 N24 O43 -","2","1","","Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad","Redox-induced change in the ligand coordination mode.","Inorganic chemistry","2014","53","19","10033","10035","10.1021/ic501787m","","","0.71073","MoKα","","0.2729","0.0814","","","0.1751","0.257","","","","","","0.931","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341545","15.8223","0.0006","21.6118","0.0007","23.5869","0.0007","90","","101.225","0.002","90","","7911.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H83 Co3 N13 O20 -","- C64 H83 Co3 N13 O20 -","- C256 H332 Co12 N52 O80 -","4","1","","Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad","Redox-induced change in the ligand coordination mode.","Inorganic chemistry","2014","53","19","10033","10035","10.1021/ic501787m","","","1.54178","CuKα","","0.1342","0.0837","","","0.223","0.24","","","","","","1.014","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341546","11.9015","0.0009","14.4551","0.0005","14.8591","0.0005","118.28","0.002","98.469","0.003","94.124","0.003","2197","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H46 Cr N9 O12 -","- C39 H46 Cr N9 O12 -","- C78 H92 Cr2 N18 O24 -","2","1","","Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad","Redox-induced change in the ligand coordination mode.","Inorganic chemistry","2014","53","19","10033","10035","10.1021/ic501787m","","","0.71073","MoKα","","0.1192","0.0536","","","0.0991","0.1107","","","","","","0.914","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341547","11.9095","0.0009","14.4593","0.0005","14.8616","0.0005","118.275","0.002","98.456","0.003","94.134","0.003","2199.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H46 Cr N9 O12 -","- C39 H46 Cr N9 O12 -","- C78 H92 Cr2 N18 O24 -","2","1","","Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad","Redox-induced change in the ligand coordination mode.","Inorganic chemistry","2014","53","19","10033","10035","10.1021/ic501787m","","","0.71073","MoKα","","0.1325","0.0562","","","0.1128","0.1324","","","","","","0.853","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341548","11.9257","0.0007","14.4754","0.0004","14.8628","0.0004","118.277","0.002","98.405","0.002","94.136","0.002","2205.68","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H46 Cr N9 O12 -","- C39 H46 Cr N9 O12 -","- C78 H92 Cr2 N18 O24 -","2","1","","Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad","Redox-induced change in the ligand coordination mode.","Inorganic chemistry","2014","53","19","10033","10035","10.1021/ic501787m","","","0.71073","MoKα","","0.1157","0.0531","","","0.1201","0.14","","","","","","0.866","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341549","11.9929","0.0013","14.5168","0.0007","14.883","0.0007","118.281","0.003","98.216","0.004","94.173","0.004","2228.9","0.3","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H46 Cr N9 O12 -","- C39 H46 Cr N9 O12 -","- C78 H92 Cr2 N18 O24 -","2","1","","Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad","Redox-induced change in the ligand coordination mode.","Inorganic chemistry","2014","53","19","10033","10035","10.1021/ic501787m","","","0.71073","MoKα","","0.1028","0.0512","","","0.122","0.1372","","","","","","0.972","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4341550","11.942","0.005","13.065","0.005","15.314","0.006","97.76","0.02","97.65","0.03","102.91","0.03","2274.4","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H52 Fe N9 O13 -","- C42 H52 Fe N9 O13 -","- C84 H104 Fe2 N18 O26 -","2","1","","Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad","Redox-induced change in the ligand coordination mode.","Inorganic chemistry","2014","53","19","10033","10035","10.1021/ic501787m","","","0.71073","MoKα","","0.1738","0.0626","","","0.1589","0.2173","","","","","","0.933","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341551","19.8588","0.0003","19.8588","0.0003","40.44","0.0012","90","","90","","90","","15948.4","0.6","240","2","240","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C66 H106 N6 Ni3 O24 -","- C66 H106 N6 Ni3 O24 -","- C528 H848 N48 Ni24 O192 -","8","0.5","","Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad","Redox-induced change in the ligand coordination mode.","Inorganic chemistry","2014","53","19","10033","10035","10.1021/ic501787m","","","0.71073","MoKα","","0.0623","0.0383","","","0.1058","0.116","","","","","","0.966","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341552","5.3812","0.0003","5.3812","0.0003","9.8195","0.0007","90","","90","","120","","246.25","0.03","298","2","298","2","","","","","","","","4","P -3 1 m","-P 3 2","162","","","","- H6 Li O6 Sb -","- H3 Li O6 Sb -","- H6 Li2 O12 Sb2 -","2","0.166667","","Mizoguchi, Hiroshi; Bhuvanesh, Nattamai S. P.; Kim, Young-Il; Ohara, Satoshi; Woodward, Patrick M.","Hydrothermal Crystal Growth and Structure Determination of Double Hydroxides LiSb(OH)6, BaSn(OH)6, and SrSn(OH)6.","Inorganic chemistry","2014","53","19","10570","10577","10.1021/ic5016252","","","0.71073","MoKα","","0.0271","0.0243","","","0.0462","0.0473","","","","","","1.173","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341553","9.3928","0.0002","6.344","0.0001","10.5679","0.0002","90","","113.205","0.001","90","","578.776","0.019","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","BaSn(OH)6","","","- Ba H6 O6 Sn -","- Ba H6 O6 Sn -","- Ba4 H24 O24 Sn4 -","4","1","","Mizoguchi, Hiroshi; Bhuvanesh, Nattamai S. P.; Kim, Young-Il; Ohara, Satoshi; Woodward, Patrick M.","Hydrothermal Crystal Growth and Structure Determination of Double Hydroxides LiSb(OH)6, BaSn(OH)6, and SrSn(OH)6.","Inorganic chemistry","2014","53","19","10570","10577","10.1021/ic5016252","","x-ray","0.71073","MoKα","","0.0202","0.0148","","","0.0315","0.0329","","","","","","1.158","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341554","9.5306","0.0004","6.0105","0.0002","10.261","0.0004","90","","113.301","0.002","90","","539.85","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","SrSn(OH)6","","","- H6 O6 Sn Sr -","- H6 O6 Sn Sr -","- H24 O24 Sn4 Sr4 -","4","1","","Mizoguchi, Hiroshi; Bhuvanesh, Nattamai S. P.; Kim, Young-Il; Ohara, Satoshi; Woodward, Patrick M.","Hydrothermal Crystal Growth and Structure Determination of Double Hydroxides LiSb(OH)6, BaSn(OH)6, and SrSn(OH)6.","Inorganic chemistry","2014","53","19","10570","10577","10.1021/ic5016252","","","0.71075","MoKα","","0.0311","0.0232","","","0.0618","0.0703","","","","","","1.088","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341555","11.7498","0.0004","16.4448","0.0006","20.8508","0.0008","90","","95.322","0.002","90","","4011.5","0.3","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H72 Co N6 P3 Zr -","- C31 H72 Co N6 P3 Zr -","- C124 H288 Co4 N24 P12 Zr4 -","4","1","","Wu, Bing; Hernández Sánchez, Raúl; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Formation of Heterobimetallic Zirconium/Cobalt Diimido Complexes via a Four-Electron Transformation.","Inorganic chemistry","2014","53","19","10021","10023","10.1021/ic501490e","","","0.71073","MoKα","","0.0509","0.0322","","0.0664","0.0622","0.0664","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341556","12.005","0.0006","21.1454","0.0011","17.9605","0.0008","90","","94.78","0.002","90","","4543.4","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H77 Co N5 P3 Zr -","- C41 H77 Co N5 P3 Zr -","- C164 H308 Co4 N20 P12 Zr4 -","4","1","","Wu, Bing; Hernández Sánchez, Raúl; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Formation of Heterobimetallic Zirconium/Cobalt Diimido Complexes via a Four-Electron Transformation.","Inorganic chemistry","2014","53","19","10021","10023","10.1021/ic501490e","","","0.71073","MoKα","","0.0482","0.0321","","0.0792","0.0692","0.0792","","","","","","0.9863","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341557","18.9688","0.0004","14.0909","0.0003","20.7472","0.0005","90","","100.228","0.001","90","","5457.3","0.2","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H85 Co N5 P3 Zr -","- C45 H85 Co N5 P3 Zr -","- C180 H340 Co4 N20 P12 Zr4 -","4","1","","Wu, Bing; Hernández Sánchez, Raúl; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Formation of Heterobimetallic Zirconium/Cobalt Diimido Complexes via a Four-Electron Transformation.","Inorganic chemistry","2014","53","19","10021","10023","10.1021/ic501490e","","","0.71073","MoKα","","0.0456","0.0291","","0.0692","0.0636","0.0692","","","","","","0.954","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341558","17.1674","0.0005","10.5558","0.0004","17.4175","0.0006","90","","92.9486","0.0008","90","","3152.14","0.19","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 Cl2 N10 O12 Tb -","- C21 H27 Cl2 N10 O12 Tb -","- C84 H108 Cl8 N40 O48 Tb4 -","4","1","","Shintoyo, Seira; Murakami, Keishiro; Fujinami, Takeshi; Matsumoto, Naohide; Mochida, Naotaka; Ishida, Takayuki; Sunatsuki, Yukinari; Watanabe, Masayuki; Tsuchimoto, Masanobu; Mrozinski, Jerzy; Coletti, Cecilia; Re, Nazzareno","Crystal Field Splitting of the Ground State of Terbium(III) and Dysprosium(III) Complexes with a Triimidazolyl Tripod Ligand and an Acetate Determined by Magnetic Analysis and Luminescence.","Inorganic chemistry","2014","53","19","10359","10369","10.1021/ic501453h","","","0.71075","MoKα","","","0.0526","","","","0.1618","","","","","","1.001","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341559","17.1562","0.0004","10.5875","0.0002","17.3802","0.0004","90","","93.2036","0.0007","90","","3152.03","0.12","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 Cl2 Dy N10 O12 -","- C21 H27 Cl2 Dy N10 O12 -","- C84 H108 Cl8 Dy4 N40 O48 -","4","1","","Shintoyo, Seira; Murakami, Keishiro; Fujinami, Takeshi; Matsumoto, Naohide; Mochida, Naotaka; Ishida, Takayuki; Sunatsuki, Yukinari; Watanabe, Masayuki; Tsuchimoto, Masanobu; Mrozinski, Jerzy; Coletti, Cecilia; Re, Nazzareno","Crystal Field Splitting of the Ground State of Terbium(III) and Dysprosium(III) Complexes with a Triimidazolyl Tripod Ligand and an Acetate Determined by Magnetic Analysis and Luminescence.","Inorganic chemistry","2014","53","19","10359","10369","10.1021/ic501453h","","","0.71075","MoKα","","","0.0352","","","","0.1197","","","","","","1","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341560","16.317","0.002","10.4544","0.001","10.8874","0.001","90","","90","","90","","1857.2","0.3","298","0.2","298","0.2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- Na2 O9 Te4 -","- Na2 O9 Te4 -","- Na16 O72 Te32 -","8","1","","Lee, Dong Woo; Ok, Kang Min","New Polymorphs of Ternary Sodium Tellurium Oxides: Hydrothermal Synthesis, Structure Determination, and Characterization of β-Na2Te4O9 and Na2Te2O6·1.5H2O.","Inorganic chemistry","2014","53","19","10642","10648","10.1021/ic501739u","","","0.71073","MoKα","","0.0378","0.0229","","","0.0461","0.0489","","","","","","0.928","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341561","8.9884","0.0019","14.3739","0.0019","10.387","0.003","90","","99.429","0.011","90","","1323.9","0.5","298","0.2","298","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H6 Na4 O15 Te4 -","- Na4 O15 Te4 -","- Na16 O60 Te16 -","4","0.5","","Lee, Dong Woo; Ok, Kang Min","New Polymorphs of Ternary Sodium Tellurium Oxides: Hydrothermal Synthesis, Structure Determination, and Characterization of β-Na2Te4O9 and Na2Te2O6·1.5H2O.","Inorganic chemistry","2014","53","19","10642","10648","10.1021/ic501739u","","","0.71073","MoKα","","0.0384","0.0259","","","0.0394","0.0417","","","","","","0.954","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341562","10.0966","","10.0966","","26.3763","","90","","90","","120","","2328.6","","","","293","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C Bi4 Cu O23.5 Sr10.5 -","- C0.99995 Bi4 Cu O23.5 Sr10.5 -","- C3.9998 Bi16 Cu4 O94 Sr42 -","4","0.166667","","Malo, Sylvie; Abakumov, Artem M.; Daturi, Marco; Pelloquin, Denis; Tendeloo, Gustaaf Van; Guesdon, Anne; Hervieu, Maryvonne","Sr21Bi8Cu2(CO3)2O41, a Bi(5+) Oxycarbonate with an Original 10L Structure.","Inorganic chemistry","2014","53","19","10266","10275","10.1021/ic501322w","powder diffraction","","1.5406","X-ray","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341563","9.7298","0.001","18.713","0.002","10.3804","0.0012","90","","97.825","0.006","90","","1872.4","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 B F2 N4 -","- C21 H19 B F2 N4 -","- C84 H76 B4 F8 N16 -","4","1","","Barbon, Stephanie M.; Price, Jacquelyn T.; Reinkeluers, Pauline A.; Gilroy, Joe B.","Substituent-dependent optical and electrochemical properties of triarylformazanate boron difluoride complexes.","Inorganic chemistry","2014","53","19","10585","10593","10.1021/ic5016912","","","0.71073","MoKα","","0.211","0.0711","","","0.1511","0.2048","","","","","","0.977","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341564","16.818","0.007","16.188","0.005","7.257","0.003","90","","99.22","0.018","90","","1950.2","1.3","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 B F2 N5 -","- C22 H18 B F2 N5 -","- C88 H72 B4 F8 N20 -","4","1","","Barbon, Stephanie M.; Price, Jacquelyn T.; Reinkeluers, Pauline A.; Gilroy, Joe B.","Substituent-dependent optical and electrochemical properties of triarylformazanate boron difluoride complexes.","Inorganic chemistry","2014","53","19","10585","10593","10.1021/ic5016912","","","0.71073","MoKα","","0.0826","0.0599","","","0.1676","0.1835","","","","","","1.035","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341565","10.362","0.006","28.12","0.017","28.16","0.02","117.075","0.013","96.626","0.017","98.667","0.016","7063","8","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H21 B F2 N4 O -","- C22 H21 B F2 N4 O -","- C264 H252 B12 F24 N48 O12 -","12","6","","Barbon, Stephanie M.; Price, Jacquelyn T.; Reinkeluers, Pauline A.; Gilroy, Joe B.","Substituent-dependent optical and electrochemical properties of triarylformazanate boron difluoride complexes.","Inorganic chemistry","2014","53","19","10585","10593","10.1021/ic5016912","","","0.71073","MoKα","","0.1407","0.0669","","","0.1625","0.1849","","","","","","1.122","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341566","14.8918","0.0002","22.3244","0.0004","18.9375","0.0003","90","","109.159","0.001","90","","5947.07","0.17","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C144.3 H126.3 Cl6.9 N4 -","- C144.3 H126.3 Cl6.9 N4 -","- C288.6 H252.6 Cl13.8 N8 -","2","1","","Arrowsmith, Merle; Maitland, Brant; Kociok-Köhn, Gabriele; Stasch, Andreas; Jones, Cameron; Hill, Michael S.","Mononuclear Three-Coordinate Magnesium Complexes of a Highly Sterically Encumbered β-Diketiminate Ligand.","Inorganic chemistry","2014","53","19","10543","10552","10.1021/ic501638v","","","0.71073","MoKα","","0.0906","0.0682","","","0.1738","0.1912","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341567","13.9269","0.0005","23.1043","0.0005","17.6303","0.0007","90","","112.216","0.005","90","","5251.8","0.4","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C71 H62 N2 -","- C71 H62 N2 -","- C284 H248 N8 -","4","1","","Arrowsmith, Merle; Maitland, Brant; Kociok-Köhn, Gabriele; Stasch, Andreas; Jones, Cameron; Hill, Michael S.","Mononuclear Three-Coordinate Magnesium Complexes of a Highly Sterically Encumbered β-Diketiminate Ligand.","Inorganic chemistry","2014","53","19","10543","10552","10.1021/ic501638v","","","0.71073","MoKα","","0.0478","0.0382","","","0.0897","0.0962","","","","","","1.026","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341568","11.2164","0.0012","13.1293","0.0014","18.8572","0.0018","72.216","0.009","86.223","0.008","81.205","0.009","2612.6","0.5","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C71 H62 N2 -","- C71 H62 N2 -","- C142 H124 N4 -","2","1","","Arrowsmith, Merle; Maitland, Brant; Kociok-Köhn, Gabriele; Stasch, Andreas; Jones, Cameron; Hill, Michael S.","Mononuclear Three-Coordinate Magnesium Complexes of a Highly Sterically Encumbered β-Diketiminate Ligand.","Inorganic chemistry","2014","53","19","10543","10552","10.1021/ic501638v","","","0.71073","MoKα","","0.1481","0.0686","","","0.1063","0.1418","","","","","","1.005","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341569","19.9262","0.0006","13.7987","0.0004","24.0307","0.0013","90","","103.856","0.004","90","","6415.1","0.5","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H79 Br Mg N2 O -","- C82 H79 Br Mg N2 O -","- C328 H316 Br4 Mg4 N8 O4 -","4","1","","Arrowsmith, Merle; Maitland, Brant; Kociok-Köhn, Gabriele; Stasch, Andreas; Jones, Cameron; Hill, Michael S.","Mononuclear Three-Coordinate Magnesium Complexes of a Highly Sterically Encumbered β-Diketiminate Ligand.","Inorganic chemistry","2014","53","19","10543","10552","10.1021/ic501638v","","","0.71073","MoKα","","0.0711","0.0551","","","0.1377","0.1489","","","","","","1.036","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341570","12.7608","0.0005","16.0274","0.0007","18.0554","0.0008","78.316","0.004","71.938","0.004","73.385","0.004","3337.8","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C85 H86 Mg N2 -","- C85 H86 Mg N2 -","- C170 H172 Mg2 N4 -","2","1","","Arrowsmith, Merle; Maitland, Brant; Kociok-Köhn, Gabriele; Stasch, Andreas; Jones, Cameron; Hill, Michael S.","Mononuclear Three-Coordinate Magnesium Complexes of a Highly Sterically Encumbered β-Diketiminate Ligand.","Inorganic chemistry","2014","53","19","10543","10552","10.1021/ic501638v","","","0.71073","MoKα","","0.0665","0.0495","","","0.1273","0.1394","","","","","","1.04","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341571","13.929","0.0005","15.8762","0.0007","15.5792","0.0007","90","","96.364","0.002","90","","3423.9","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H86 Mg N2 O -","- C86 H86 Mg N2 O -","- C172 H172 Mg2 N4 O2 -","2","1","","Arrowsmith, Merle; Maitland, Brant; Kociok-Köhn, Gabriele; Stasch, Andreas; Jones, Cameron; Hill, Michael S.","Mononuclear Three-Coordinate Magnesium Complexes of a Highly Sterically Encumbered β-Diketiminate Ligand.","Inorganic chemistry","2014","53","19","10543","10552","10.1021/ic501638v","","","0.71073","MoKα","","0.1202","0.0658","","","0.133","0.1581","","","","","","1.033","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341572","12.0964","0.0004","17.291","0.0006","28.0393","0.001","90","","99.854","0.003","90","","5778.1","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C75 H70 Mg N2 -","- C75 H70 Mg N2 -","- C300 H280 Mg4 N8 -","4","1","","Arrowsmith, Merle; Maitland, Brant; Kociok-Köhn, Gabriele; Stasch, Andreas; Jones, Cameron; Hill, Michael S.","Mononuclear Three-Coordinate Magnesium Complexes of a Highly Sterically Encumbered β-Diketiminate Ligand.","Inorganic chemistry","2014","53","19","10543","10552","10.1021/ic501638v","","","0.71073","MoKα","","0.0677","0.0469","","","0.1049","0.1158","","","","","","1.028","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341573","13.1791","0.0006","13.2304","0.0006","19.0177","0.0007","97.035","0.003","100.793","0.003","91.552","0.002","3228.6","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H77 Mg N2 -","- C84 H77 Mg N2 -","- C168 H154 Mg2 N4 -","2","1","","Arrowsmith, Merle; Maitland, Brant; Kociok-Köhn, Gabriele; Stasch, Andreas; Jones, Cameron; Hill, Michael S.","Mononuclear Three-Coordinate Magnesium Complexes of a Highly Sterically Encumbered β-Diketiminate Ligand.","Inorganic chemistry","2014","53","19","10543","10552","10.1021/ic501638v","","","0.71073","MoKα","","0.1614","0.0739","","","0.148","0.1856","","","","","","1.04","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341574","13.1932","0.0001","13.2993","0.0001","36.9496","0.0004","87.7914","0.0005","88.9917","0.0004","89.9024","0.0005","6477.37","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H73.15 Mg N2 O0.15 -","- C83 H73.15 Mg N2 O0.15 -","- C332 H292.6 Mg4 N8 O0.6 -","4","2","","Arrowsmith, Merle; Maitland, Brant; Kociok-Köhn, Gabriele; Stasch, Andreas; Jones, Cameron; Hill, Michael S.","Mononuclear Three-Coordinate Magnesium Complexes of a Highly Sterically Encumbered β-Diketiminate Ligand.","Inorganic chemistry","2014","53","19","10543","10552","10.1021/ic501638v","","","0.71073","MoKα","","0.1074","0.0666","","","0.1531","0.172","","","","","","1.052","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341575","13.756","0.0011","15.4808","0.0012","16.5001","0.0013","95.233","0.003","108.23","0.003","99.382","0.003","3254.6","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H50 Cl2 F12 N14 O2 P2 Ru2 Zn -","- C60 H50 Cl2 F12 N14 O2 P2 Ru2 Zn -","- C120 H100 Cl4 F24 N28 O4 P4 Ru4 Zn2 -","2","1","","Mognon, Lorenzo; Benet-Buchholz, Jordi; Rahaman, S. M. Wahidur; Bo, Carles; Llobet, Antoni","Ru-Zn Heteropolynuclear Complexes Containing a Dinucleating Bridging Ligand: Synthesis, Structure, and Isomerism.","Inorganic chemistry","2014","","","141113103235006","","10.1021/ic5017559","","","0.71073","MoKα","","0.1442","0.0788","","","0.2055","0.2451","","","","","","1.054","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341576","17.2373","0.0015","24.186","0.002","18.1604","0.0017","90","","95.312","0.003","90","","7538.6","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H74 Cl6 N18 O7 Ru2 Zn2 -","- C68 H74 Cl6 N18 O7 Ru2 Zn2 -","- C272 H296 Cl24 N72 O28 Ru8 Zn8 -","4","1","","Mognon, Lorenzo; Benet-Buchholz, Jordi; Rahaman, S. M. Wahidur; Bo, Carles; Llobet, Antoni","Ru-Zn Heteropolynuclear Complexes Containing a Dinucleating Bridging Ligand: Synthesis, Structure, and Isomerism.","Inorganic chemistry","2014","","","141113103235006","","10.1021/ic5017559","","","0.71073","MoKα","","0.1009","0.0537","","","0.1286","0.1586","","","","","","1.035","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341577","13.3567","0.0006","19.7145","0.0008","23.8971","0.0012","79.927","0.002","82.089","0.002","75.313","0.002","5964.3","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C112 H89.2 Cl4 F24 N28 O4.6 P4 Ru4 Zn2 -","- C112 H89.2 Cl4 F24 N28 O4.6 P4 Ru4 Zn2 -","- C224 H178.4 Cl8 F48 N56 O9.2 P8 Ru8 Zn4 -","2","1","","Mognon, Lorenzo; Benet-Buchholz, Jordi; Rahaman, S. M. Wahidur; Bo, Carles; Llobet, Antoni","Ru-Zn Heteropolynuclear Complexes Containing a Dinucleating Bridging Ligand: Synthesis, Structure, and Isomerism.","Inorganic chemistry","2014","","","141113103235006","","10.1021/ic5017559","","","0.71073","MoKα","","0.0926","0.0589","","","0.1545","0.1765","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341578","21.4941","0.0006","12.529","0.0003","24.7237","0.0007","90","","113.678","0.001","90","","6097.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H45 Cl4 N14 O19.5 Ru2 Zn -","- C56 H45 Cl4 N14 O19.5 Ru2 Zn -","- C224 H180 Cl16 N56 O78 Ru8 Zn4 -","4","1","","Mognon, Lorenzo; Benet-Buchholz, Jordi; Rahaman, S. M. Wahidur; Bo, Carles; Llobet, Antoni","Ru-Zn Heteropolynuclear Complexes Containing a Dinucleating Bridging Ligand: Synthesis, Structure, and Isomerism.","Inorganic chemistry","2014","","","141113103235006","","10.1021/ic5017559","","","0.71073","MoKα","","0.0824","0.0519","","","0.1489","0.1741","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341579","7.2272","0.0004","12.8348","0.0007","24.2847","0.0013","90","","94.064","0.002","90","","2247","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","larsen01","","","- C23 H19 Au Cl3 N3 O -","- C23 H19 Au Cl3 N3 O -","- C92 H76 Au4 Cl12 N12 O4 -","4","1","","Laguna, Edward M.; Olsen, Pauline M.; Sterling, Michael D.; Eichler, Jack F.; Rheingold, Arnold L.; Larsen, Catharine H.","Structure and Properties of Neutral and Cationic Gold(III) Complexes from Substituted 2-(2'-Pyridyl)quinoline Ligands.","Inorganic chemistry","2014","","","141112094903002","","10.1021/ic501965m","","","0.71073","MoKα","","0.0262","0.0234","","","0.0585","0.0598","","","","","","1.085","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341580","26.953","0.003","17.962","0.002","13.8757","0.0017","90","","119.11","0.002","90","","5869.1","1.2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H42 Dy6 Na2 O47 S4 -","- C32 H42 Dy6 Na2 O47 S4 -","- C128 H168 Dy24 Na8 O188 S16 -","4","0.5","","Ren, Yi-Xia; Zheng, Xiang-Jun; Li, Li-Cun; Yuan, Da-Qiang; An, Miao; Jin, Lin-Pei","Three-Dimensional Frameworks Based on Dodecanuclear Dy-hydroxo Wheel Cluster with Slow Relaxation of Magnetization.","Inorganic chemistry","2014","","","141113084659009","","10.1021/ic502042h","","","0.71073","MoKα","","0.0836","0.0564","","","0.1359","0.151","","","","","","1.057","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341581","26.781","0.008","17.916","0.005","13.763","0.004","90","","118.719","0.005","90","","5791","3","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H42 Ho6 Na2 O47 S4 -","- C32 H42 Ho6 Na2 O47 S4 -","- C128 H168 Ho24 Na8 O188 S16 -","4","0.5","","Ren, Yi-Xia; Zheng, Xiang-Jun; Li, Li-Cun; Yuan, Da-Qiang; An, Miao; Jin, Lin-Pei","Three-Dimensional Frameworks Based on Dodecanuclear Dy-hydroxo Wheel Cluster with Slow Relaxation of Magnetization.","Inorganic chemistry","2014","","","141113084659009","","10.1021/ic502042h","","","0.71073","MoKα","","0.1431","0.0745","","","0.1695","0.2014","","","","","","1.012","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341582","12.569","0.0004","12.86","0.0004","17.993","0.0006","105.683","0.001","95.656","0.001","102.211","0.001","2698.98","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H54 Fe6 Sn3 Te2 -","- C60 H54 Fe6 Sn3 Te2 -","- C120 H108 Fe12 Sn6 Te4 -","2","1","","You, Zhiliang; Bergunde, Jakob; Gerke, Birgit; Pöttgen, Rainer; Dehnen, Stefanie","Ferrocenyl-Functionalized Sn/Se and Sn/Te Complexes: Synthesis, Reactivity, Optical, and Electronic Properties.","Inorganic chemistry","2014","","","141114120738008","","10.1021/ic502026g","","","0.71073","MoKα","","0.0275","0.0237","","","0.0591","0.0608","","","","","","1.042","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341583","42.3467","0.0011","14.5072","0.0004","42.7189","0.0011","90","","92.544","0.001","90","","26217.7","1.2","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C136 H120 Cu6 Fe2 O4 P6 S2.75 Se3.25 Sn2 -","- C136 H120 Cu6 Fe2 O4 P6 S2.706 Se3.294 Sn2 -","- C1088 H960 Cu48 Fe16 O32 P48 S21.648 Se26.352 Sn16 -","8","1","","You, Zhiliang; Bergunde, Jakob; Gerke, Birgit; Pöttgen, Rainer; Dehnen, Stefanie","Ferrocenyl-Functionalized Sn/Se and Sn/Te Complexes: Synthesis, Reactivity, Optical, and Electronic Properties.","Inorganic chemistry","2014","","","141114120738008","","10.1021/ic502026g","","","0.71073","MoKα","","0.11","0.0624","","","0.1713","0.1878","","","","","","1.078","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341584","24.9134","0.0006","13.2096","0.0004","27.1065","0.0008","90","","90","","90","","8920.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Fe4 Se6 Sn4 -","- C40 H36 Fe4 Se6 Sn4 -","- C320 H288 Fe32 Se48 Sn32 -","8","1","","You, Zhiliang; Bergunde, Jakob; Gerke, Birgit; Pöttgen, Rainer; Dehnen, Stefanie","Ferrocenyl-Functionalized Sn/Se and Sn/Te Complexes: Synthesis, Reactivity, Optical, and Electronic Properties.","Inorganic chemistry","2014","","","141114120738008","","10.1021/ic502026g","","","0.71073","MoKα","","0.0603","0.0338","","","0.0756","0.0841","","","","","","1.041","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341585","9.488","0.0018","14.232","0.005","20.62","0.002","90","","93.6","0.005","90","","2778.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H38 Lu N11 O14 -","- C16 H38 Lu N11 O14 -","- C64 H152 Lu4 N44 O56 -","4","1","","Negri, Roberto; Baranyai, Zsolt; Tei, Lorenzo; Giovenzana, Giovanni B.; Platas-Iglesias, Carlos; Bényei, Attila C; Bodnár, Judit; Vágner, Adrienn; Botta, Mauro","Lower Denticity Leading to Higher Stability: Structural and Solution Studies of Ln(III)-OBETA Complexes.","Inorganic chemistry","2014","","","141111091549002","","10.1021/ic5020225","","","0.71069","MoKα","","0.0411","0.0351","","","","0.0954","","","","","","1.104","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341587","12.382","0.0005","19.048","0.0008","22.351","0.0009","90","","102.321","0.003","90","","5150.1","0.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound 2","","","- C54 H62 Cr2 N6 -","- C54 H62 Cr2 N6 -","- C216 H248 Cr8 N24 -","4","1","","Noor, Awal; Tamne, Emmanuel Sobgwi; Oelkers, Benjamin; Bauer, Tobias; Demeshko, Serhiy; Meyer, Franc; Heinemann, Frank W.; Kempe, Rhett","From Chromium-Chromium Quintuple Bonds to Molecular Squares and Porous Coordination Polymers.","Inorganic chemistry","2014","","","141110123258001","","10.1021/ic501400n","","","0.71069","MoKα","","0.0791","0.0415","","","0.0871","0.0938","","","","","","0.846","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341588","22.653","0.0011","46.285","0.002","18.5618","0.0008","90","","108.21","0.002","90","","18487.2","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 3","","","- C204 H276 Cr4 N16 O16 -","- C204 H276 Cr4 N16 O16 -","- C816 H1104 Cr16 N64 O64 -","4","1","","Noor, Awal; Tamne, Emmanuel Sobgwi; Oelkers, Benjamin; Bauer, Tobias; Demeshko, Serhiy; Meyer, Franc; Heinemann, Frank W.; Kempe, Rhett","From Chromium-Chromium Quintuple Bonds to Molecular Squares and Porous Coordination Polymers.","Inorganic chemistry","2014","","","141110123258001","","10.1021/ic501400n","","","0.71073","MoKα","","0.1301","0.0754","","","0.1884","0.244","","","","","","1.017","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341589","17.385","0.003","18.505","0.003","19.034","0.003","61.154","0.003","64.968","0.003","88.611","0.004","4733.3","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Compound 4","","","- C192 H244 Cr4 N20 O11 -","- C192 H244 Cr4 N20 O11 -","- C192 H244 Cr4 N20 O11 -","1","0.5","","Noor, Awal; Tamne, Emmanuel Sobgwi; Oelkers, Benjamin; Bauer, Tobias; Demeshko, Serhiy; Meyer, Franc; Heinemann, Frank W.; Kempe, Rhett","From Chromium-Chromium Quintuple Bonds to Molecular Squares and Porous Coordination Polymers.","Inorganic chemistry","2014","","","141110123258001","","10.1021/ic501400n","","","0.71073","MoKα","","0.163","0.0937","","","0.2577","0.3063","","","","","","1.054","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341590","18.9095","0.001","11.1731","0.0005","21.0776","0.001","90","","114.391","0.001","90","","4055.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 Mo N4 O2 -","- C42 H58 Mo N4 O2 -","- C168 H232 Mo4 N16 O8 -","4","1","","Leppin, Jana; Förster, Christoph; Heinze, Katja","Molybdenum Complex with Bulky Chelates as a Functional Model for Molybdenum Oxidases.","Inorganic chemistry","2014","","","141113093953007","","10.1021/ic501751p","","","0.71073","MoKα","","0.072","0.0365","","","0.0652","0.0716","","","","","","0.84","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341591","9.731","0.0012","11.4519","0.0012","13.2828","0.0014","101.136","0.004","95.064","0.003","99.356","0.003","1422","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 Mo2 N8 O3 -","- C60 H68 Mo2 N8 O3 -","- C60 H68 Mo2 N8 O3 -","1","0.5","","Leppin, Jana; Förster, Christoph; Heinze, Katja","Molybdenum Complex with Bulky Chelates as a Functional Model for Molybdenum Oxidases.","Inorganic chemistry","2014","","","141113093953007","","10.1021/ic501751p","","","0.71073","MoKα","","0.07","0.0489","","","0.1195","0.129","","","","","","1.011","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341592","7.339","0.003","13.48","0.005","22.404","0.012","90","","90","","90","","2216.4","1.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H17 N O -","- C11 H17 N O -","- C88 H136 N8 O8 -","8","1","","Leppin, Jana; Förster, Christoph; Heinze, Katja","Molybdenum Complex with Bulky Chelates as a Functional Model for Molybdenum Oxidases.","Inorganic chemistry","2014","","","141113093953007","","10.1021/ic501751p","","","0.71073","MoKα","","0.1532","0.0499","","","0.0947","0.1189","","","","","","0.755","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341593","12.4578","0.0011","31.036","0.003","12.3794","0.0011","90","","90","","90","","4786.4","0.8","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C46 H66 Mo2 N4 O5 -","- C46 H66 Mo2 N4 O5 -","- C184 H264 Mo8 N16 O20 -","4","1","","Leppin, Jana; Förster, Christoph; Heinze, Katja","Molybdenum Complex with Bulky Chelates as a Functional Model for Molybdenum Oxidases.","Inorganic chemistry","2014","","","141113093953007","","10.1021/ic501751p","","","0.71073","MoKα","","0.201","0.0538","","","0.0593","0.081","","","","","","0.733","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341596","24.734","0.005","26.888","0.005","24.902","0.005","90","","111.88","0.03","90","","15368","6","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83.75 H115 K N6 Sm -","- C83.75 H115 K N6 Sm -","- C670 H920 K8 N48 Sm8 -","8","2","","Deacon, Glen B.; Junk, Peter C.; Wang, Jun; Werner, Daniel","Reactivity of Bulky Formamidinatosamarium(II or III) Complexes with C═O and C═S Bonds.","Inorganic chemistry","2014","","","141110081832000","","10.1021/ic502181g","","","0.71073","Synchrotron","","0.0354","0.0326","","","0.0831","0.0847","","","","","","1.063","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341597","24.439","0.005","25.688","0.005","25.726","0.005","102.65","0.03","108.63","0.03","112.47","0.03","13025","8","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C147.5 H188 N8 O3 Sm2 -","- C147.5 H188 N8 O3 Sm2 -","- C590 H752 N32 O12 Sm8 -","4","2","","Deacon, Glen B.; Junk, Peter C.; Wang, Jun; Werner, Daniel","Reactivity of Bulky Formamidinatosamarium(II or III) Complexes with C═O and C═S Bonds.","Inorganic chemistry","2014","","","141110081832000","","10.1021/ic502181g","","","0.71073","Synchrotron","","0.0667","0.062","","","0.1678","0.1722","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341598","13.792","0.003","22.82","0.005","23.442","0.005","117.65","0.03","103.71","0.03","91.51","0.03","6269","3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C139 H186 N8 O5.25 Yb2 -","- C139 H186 N8 O5.25 Yb2 -","- C278 H372 N16 O10.5 Yb4 -","2","1","","Deacon, Glen B.; Junk, Peter C.; Wang, Jun; Werner, Daniel","Reactivity of Bulky Formamidinatosamarium(II or III) Complexes with C═O and C═S Bonds.","Inorganic chemistry","2014","","","141110081832000","","10.1021/ic502181g","","","0.7108","Synchrotron","","0.0339","0.0327","","","0.0788","0.0794","","","","","","1.106","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341599","15.8749","0.0003","23.1663","0.0006","19.3292","0.0003","90","","107.876","0.001","90","","6765.4","0.2","123","1","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C146 H156 D36 N8 O2 S4 Sm2 -","- C146 H192 N8 O2 S4 Sm2 -","- C292 H384 N16 O4 S8 Sm4 -","2","0.5","","Deacon, Glen B.; Junk, Peter C.; Wang, Jun; Werner, Daniel","Reactivity of Bulky Formamidinatosamarium(II or III) Complexes with C═O and C═S Bonds.","Inorganic chemistry","2014","","","141110081832000","","10.1021/ic502181g","","","0.71073","MoKα","","0.0533","0.0403","","","0.072","0.0787","","","","","","1.073","","","","has coordinates,has disorder","179518","2020-10-21","18:00:00",""
"4341600","12.937","0.003","13.607","0.003","20.847","0.004","94.09","0.03","93.12","0.03","116.75","0.03","3253.2","1.5","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C75 H93 N4 O2 Sm -","- C75 H93 N4 O2 Sm -","- C150 H186 N8 O4 Sm2 -","2","1","","Deacon, Glen B.; Junk, Peter C.; Wang, Jun; Werner, Daniel","Reactivity of Bulky Formamidinatosamarium(II or III) Complexes with C═O and C═S Bonds.","Inorganic chemistry","2014","","","141110081832000","","10.1021/ic502181g","","","0.71073","MoKα","","0.0536","0.0444","","","0.109","0.1156","","","","","","1.075","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341601","14.276","0.003","14.806","0.003","18.06","0.004","97.15","0.03","98.88","0.03","118.3","0.03","3234","1.7","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C74.5 H87 N4 O Sm -","- C74.5 H87 N4 O Sm -","- C149 H174 N8 O2 Sm2 -","2","1","","Deacon, Glen B.; Junk, Peter C.; Wang, Jun; Werner, Daniel","Reactivity of Bulky Formamidinatosamarium(II or III) Complexes with C═O and C═S Bonds.","Inorganic chemistry","2014","","","141110081832000","","10.1021/ic502181g","","","0.71073","MoKα","","0.0412","0.0379","","","0.0962","0.0995","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341602","10.1946","0.0003","11.9855","0.0003","12.0919","0.0003","87.461","0.002","77.206","0.002","77.472","0.002","1406.48","0.07","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H18 B11 N O -","- C7 H18 B11 N O -","- C28 H72 B44 N4 O4 -","4","2","","Pecyna, Jacek; Ringstrand, Bryan; Domagała, Sławomir; Kaszyński, Piotr; Woźniak, Krzysztof","Synthesis and Characterization of 12-Pyridinium Derivatives of the [closo-1-CB11H12](-) Anion.","Inorganic chemistry","2014","","","141113084747009","","10.1021/ic502265g","","","0.71073","MoKα","","0.0574","0.0464","","","0.1359","0.1483","","","","","","1.079","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341603","7.89037","0.00014","10.47959","0.00019","17.1104","0.0003","90","","91.5207","0.0017","90","","1414.32","0.04","100","2","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C7 H18 B11 N O -","- C7 H18 B11 N O -","- C28 H72 B44 N4 O4 -","4","2","","Pecyna, Jacek; Ringstrand, Bryan; Domagała, Sławomir; Kaszyński, Piotr; Woźniak, Krzysztof","Synthesis and Characterization of 12-Pyridinium Derivatives of the [closo-1-CB11H12](-) Anion.","Inorganic chemistry","2014","","","141113084747009","","10.1021/ic502265g","","","0.71073","MoKα","","0.0513","0.044","","","0.1076","0.1149","","","","","","1.061","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341604","15.904","0.003","7.4771","0.0015","19.943","0.004","90","","92","0.03","90","","2370.1","0.8","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Br N4 Ni O3 -","- C26 H25 Br N4 Ni O3 -","- C104 H100 Br4 N16 Ni4 O12 -","4","1","","Lecarme, Laureline; Prado, Enora; Rache, Aurore De; Nicolau-Travers, Marie-Laure; Bonnet, Romaric; Heyden, Angeline van Der; Philouze, Christian; Gomez, Dennis; Mergny, Jean-Louis; Jamet, Hélène; Defrancq, Eric; Jarjayes, Olivier; Thomas, Fabrice","Interaction of Polycationic Ni(II)-Salophen Complexes with G-Quadruplex DNA.","Inorganic chemistry","2014","","","141110150525000","","10.1021/ic502063r","","x-ray","0.71073","MoKα","","0.0941","0.0555","","","0.1254","0.1447","","","","","","1.077","","","","has coordinates,has disorder","179519","2020-10-21","18:00:00",""
"4341605","48.4679","0.0005","48.4679","0.0005","44.1057","0.0006","90","","90","","120","","89729.2","1.8","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C98 H46 In6 N10 O48 -","- C98 H46 In6 N10 O48 -","- C1764 H828 In108 N180 O864 -","18","1","","Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Li, Qipeng; Yuan, Daqiang; Hong, Maochun","Self-Assembly of Polyhedral Indium-Organic Nanocages.","Inorganic chemistry","2014","","","141113093006000","","10.1021/ic501728z","","","1.54184","CuKα","","0.1109","0.0867","","","0.2388","0.2721","","","","","","1.084","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341606","31.194","0.0001","31.194","0.0001","31.194","0.0001","90","","90","","90","","30353.8","0.17","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C18 H16 In N3 O8 -","- C18 H16 In N3 O8 -","- C864 H768 In48 N144 O384 -","48","1","","Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Li, Qipeng; Yuan, Daqiang; Hong, Maochun","Self-Assembly of Polyhedral Indium-Organic Nanocages.","Inorganic chemistry","2014","","","141113093006000","","10.1021/ic501728z","","","1.54184","CuKα","","0.0604","0.0502","","","0.1434","0.1516","","","","","","1.097","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341607","10.408","0.0003","30.9033","0.0009","13.4858","0.0004","90","","91.703","0.003","90","","4335.7","0.2","101.2","","101.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H39 B Fe N6 O3 -","- C55 H39 B Fe N6 O3 -","- C220 H156 B4 Fe4 N24 O12 -","4","1","","Baum, Amanda E.; Park, Heaweon; Lindeman, Sergey V.; Fiedler, Adam T.","Synthesis and Spectroscopic Characterization of High-Spin Mononuclear Iron(II) p-Semiquinonate Complexes.","Inorganic chemistry","2014","","","141113104938005","","10.1021/ic502564r","","","0.7107","MoKα","","0.0524","0.0409","","","0.0922","0.0993","","","","","","1.039","","","","has coordinates,has disorder","179519","2020-10-21","18:00:00",""
"4341608","9.7856","0.00014","37.3826","0.0004","13.41213","0.00014","90","","92.1962","0.0012","90","","4902.7","0.1","100.05","0.1","100.05","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57 H41 B Br2 Cl2 Fe N6 O3 -","- C57 H41 B Br2 Cl2 Fe N6 O3 -","- C228 H164 B4 Br8 Cl8 Fe4 N24 O12 -","4","1","","Baum, Amanda E.; Park, Heaweon; Lindeman, Sergey V.; Fiedler, Adam T.","Synthesis and Spectroscopic Characterization of High-Spin Mononuclear Iron(II) p-Semiquinonate Complexes.","Inorganic chemistry","2014","","","141113104938005","","10.1021/ic502564r","","","1.54184","CuKα","","0.0691","0.0647","","","0.1598","0.1624","","","","","","1.142","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341609","12.0987","0.0007","14.2213","0.0008","14.2303","0.0008","98.36","0.001","105.6","0.001","97.552","0.001","2295.5","0.2","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H51 Co2 Dy N6 O16 -","- C43 H51 Co2 Dy N6 O16 -","- C86 H102 Co4 Dy2 N12 O32 -","2","1","","Xue, Shufang; Ungur, Liviu; Guo, Yun-Nan; Tang, Jinkui; Chibotaru, Liviu F.","Field-Induced Multiple Relaxation Mechanism of Co(III)2Dy(III) Compound with the Dysprosium Ion in a Low-Symmetrical Environment.","Inorganic chemistry","2014","","","141113141001000","","10.1021/ic502443g","","","0.71073","MoKα","","0.0564","0.043","","","0.1101","0.1253","","","","","","1.067","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341610","12.0248","0.0005","14.2035","0.0006","14.3001","0.0006","98.707","0.001","97.25","0.001","105.683","0.001","2288.23","0.17","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H49 Co2 Lu N6 O15 -","- C43 H49 Co2 Lu N6 O15 -","- C86 H98 Co4 Lu2 N12 O30 -","2","1","","Xue, Shufang; Ungur, Liviu; Guo, Yun-Nan; Tang, Jinkui; Chibotaru, Liviu F.","Field-Induced Multiple Relaxation Mechanism of Co(III)2Dy(III) Compound with the Dysprosium Ion in a Low-Symmetrical Environment.","Inorganic chemistry","2014","","","141113141001000","","10.1021/ic502443g","","","0.71073","MoKα","","0.0509","0.0387","","","0.0958","0.1101","","","","","","1.052","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341611","15.9732","0.0017","8.3335","0.0009","29.297","0.003","90","","101.457","0.002","90","","3822.1","0.7","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 N6 O14 Rh3 -","- C29 H44 N6 O14 Rh3 -","- C116 H176 N24 O56 Rh12 -","4","1","","Fritsch, Nico; Wick, Christian R.; Waidmann, Thomas; Dral, Pavlo O.; Tucher, Johannes; Heinemann, Frank W.; Shubina, Tatyana E.; Clark, Timothy; Burzlaff, Nicolai","Multiply Bonded Metal(II) Acetate (Rhodium, Ruthenium, and Molybdenum) Complexes with the trans-1,2-Bis(N-methylimidazol-2-yl)ethylene Ligand.","Inorganic chemistry","2014","","","141113134903008","","10.1021/ic501435a","","x-ray","0.71073","MoKα","","0.0374","0.0302","","","0.0785","0.0823","","","","","","1.045","","","","has coordinates,has disorder","179519","2020-10-21","18:00:00",""
"4341612","8.2774","0.0008","8.3739","0.0017","10.5985","0.0011","105.369","0.012","107.452","0.007","93.312","0.01","668.18","0.18","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C11 H16 N2 O4.5 Ru -","- C11 H16 N2 O4.5 Ru -","- C22 H32 N4 O9 Ru2 -","2","1","","Fritsch, Nico; Wick, Christian R.; Waidmann, Thomas; Dral, Pavlo O.; Tucher, Johannes; Heinemann, Frank W.; Shubina, Tatyana E.; Clark, Timothy; Burzlaff, Nicolai","Multiply Bonded Metal(II) Acetate (Rhodium, Ruthenium, and Molybdenum) Complexes with the trans-1,2-Bis(N-methylimidazol-2-yl)ethylene Ligand.","Inorganic chemistry","2014","","","141113134903008","","10.1021/ic501435a","","x-ray","0.71073","MoKα","","0.0924","0.077","","","0.206","0.2228","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341613","9.8956","0.0001","13.8296","0.0001","8.6218","0.0001","90","","107.01","","90","","1128.3","0.019","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Mo N2 O4 -","- C9 H12 Mo N2 O4 -","- C36 H48 Mo4 N8 O16 -","4","1","","Fritsch, Nico; Wick, Christian R.; Waidmann, Thomas; Dral, Pavlo O.; Tucher, Johannes; Heinemann, Frank W.; Shubina, Tatyana E.; Clark, Timothy; Burzlaff, Nicolai","Multiply Bonded Metal(II) Acetate (Rhodium, Ruthenium, and Molybdenum) Complexes with the trans-1,2-Bis(N-methylimidazol-2-yl)ethylene Ligand.","Inorganic chemistry","2014","","","141113134903008","","10.1021/ic501435a","","x-ray","0.71073","MoKα","","0.0184","0.017","","","0.0439","0.0446","","","","","","1.058","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341614","8.2265","0.0006","18.7004","0.0013","20.3297","0.0014","90","","90","","90","","3127.5","0.4","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 Cr2 N8 O8 -","- C28 H36 Cr2 N8 O8 -","- C112 H144 Cr8 N32 O32 -","4","0.5","","Fritsch, Nico; Wick, Christian R.; Waidmann, Thomas; Dral, Pavlo O.; Tucher, Johannes; Heinemann, Frank W.; Shubina, Tatyana E.; Clark, Timothy; Burzlaff, Nicolai","Multiply Bonded Metal(II) Acetate (Rhodium, Ruthenium, and Molybdenum) Complexes with the trans-1,2-Bis(N-methylimidazol-2-yl)ethylene Ligand.","Inorganic chemistry","2014","","","141113134903008","","10.1021/ic501435a","","x-ray","0.71073","MoKα","","0.0383","0.0296","","","0.0749","0.0802","","","","","","1.076","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341615","8.5151","0.0017","9.4623","0.0019","10.267","0.002","68.04","0.03","68.92","0.03","70.41","0.03","696.3","0.3","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C11 H15 N2 O6 Zn1.5 -","- C11 H15 N2 O6 Zn1.5 -","- C22 H30 N4 O12 Zn3 -","2","1","","Fritsch, Nico; Wick, Christian R.; Waidmann, Thomas; Dral, Pavlo O.; Tucher, Johannes; Heinemann, Frank W.; Shubina, Tatyana E.; Clark, Timothy; Burzlaff, Nicolai","Multiply Bonded Metal(II) Acetate (Rhodium, Ruthenium, and Molybdenum) Complexes with the trans-1,2-Bis(N-methylimidazol-2-yl)ethylene Ligand.","Inorganic chemistry","2014","","","141113134903008","","10.1021/ic501435a","","x-ray","0.71073","MoKα","","0.0207","0.0187","","","0.049","0.0503","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341616","10.46","0.002","6.38","0.0013","12.58","0.003","90","","91.54","0.03","90","","839.2","0.3","100","2","100","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","BaThTe4","","","- Ba Te4 Th -","- Ba Te4 Th -","- Ba4 Te16 Th4 -","4","0.5","","Prakash, Jai; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Syntheses, Crystal Structures, Resistivity Studies, and Electronic Properties of Three New Barium Actinide Tellurides: BaThTe4, BaUTe4, and BaUTe6.","Inorganic chemistry","2014","","","141111074323002","","10.1021/ic502246p","","","0.71073","MoKα","","0.0279","0.0268","","","0.0738","0.0744","","","","","","1.678","","","","has coordinates","209173","2020-10-21","18:00:00",""
"4341617","10.363","0.002","6.3037","0.0013","12.458","0.002","90","","91.26","0.03","90","","813.6","0.3","100","2","100","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","BaUTe4","","","- Ba Te4 U -","- Ba Te4 U -","- Ba4 Te16 U4 -","4","0.5","","Prakash, Jai; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Syntheses, Crystal Structures, Resistivity Studies, and Electronic Properties of Three New Barium Actinide Tellurides: BaThTe4, BaUTe4, and BaUTe6.","Inorganic chemistry","2014","","","141111074323002","","10.1021/ic502246p","","","0.71073","MoKα","","0.0268","0.0244","","","0.0588","0.0596","","","","","","1.231","","","","has coordinates","209173","2020-10-21","18:00:00",""
"4341618","8.8483","0.0003","15.0414","0.0004","8.0855","0.0002","90","","91.424","0.002","90","","1075.77","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BaUTe6","","","- Ba Te6 U -","- Ba Te6 U -","- Ba4 Te24 U4 -","4","1","","Prakash, Jai; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A.","Syntheses, Crystal Structures, Resistivity Studies, and Electronic Properties of Three New Barium Actinide Tellurides: BaThTe4, BaUTe4, and BaUTe6.","Inorganic chemistry","2014","","","141111074323002","","10.1021/ic502246p","","","0.71073","MoKα","","0.0384","0.0306","","","0.0591","0.0614","","","","","","1.516","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341619","8.5361","0.0003","26.5298","0.0011","6.2175","0.0002","90","","113.312","0.001","90","","1293.08","0.08","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C9 H15 Co N O7 P2 -","- C9 H15 Co N O7 P2 -","- C36 H60 Co4 N4 O28 P8 -","4","1","","Cai, Zhong-Sheng; Ren, Min; Bao, Song-Song; Hoshino, Norihisa; Akutagawa, Tomoyuki; Zheng, Li-Min","Synthetic-Method-Dependent Magnetic Relaxation in a Cobalt(II) Phosphonate Chain Compound.","Inorganic chemistry","2014","","","141113121612004","","10.1021/ic5021737","","","0.71073","MoKα","","0.0202","0.0191","","","0.0428","0.0431","","","","","","0.997","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341620","13.1049","0.0007","15.124","0.0013","18.0808","0.0016","90","","90","","90","","3583.6","0.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29.25 H43.5 N10 Ni2 O7.75 S2 -","- C29.25 H43.5 N10 Ni2 O7.75 S2 -","- C117 H174 N40 Ni8 O31 S8 -","4","1","","Bacher, Felix; Dömötör, Orsolya; Kaltenbrunner, Maria; Mojović, Miloš; Popović-Bijelić, Ana; Gräslund, Astrid; Ozarowski, Andrew; Filipovic, Lana; Radulović, Sinisa; Enyedy, Eva A.; Arion, Vladimir B.","Effects of Terminal Dimethylation and Metal Coordination of Proline-2-formylpyridine Thiosemicarbazone Hybrids on Lipophilicity, Antiproliferative Activity, and hR2 RNR Inhibition.","Inorganic chemistry","2014","","","141112160101001","","10.1021/ic502239u","","","0.71073","MoKα","","0.1119","0.0603","","","0.1162","0.1373","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341621","13.2489","0.0004","15.2821","0.0005","17.9458","0.0007","90","","90","","90","","3633.5","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 N10 Ni2 O8 S2 -","- C30 H46 N10 Ni2 O8 S2 -","- C120 H184 N40 Ni8 O32 S8 -","4","1","","Bacher, Felix; Dömötör, Orsolya; Kaltenbrunner, Maria; Mojović, Miloš; Popović-Bijelić, Ana; Gräslund, Astrid; Ozarowski, Andrew; Filipovic, Lana; Radulović, Sinisa; Enyedy, Eva A.; Arion, Vladimir B.","Effects of Terminal Dimethylation and Metal Coordination of Proline-2-formylpyridine Thiosemicarbazone Hybrids on Lipophilicity, Antiproliferative Activity, and hR2 RNR Inhibition.","Inorganic chemistry","2014","","","141112160101001","","10.1021/ic502239u","","","0.71073","MoKα","","0.0402","0.0316","","","0.0637","0.0661","","","","","","1.034","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341622","11.7885","0.0013","11.8487","0.0013","55.473","0.006","90","","90","","90","","7748.4","1.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32.88 H49.5 N10 Ni2 O6.88 S2 -","- C32.875 H41.5 N10 Ni2 O6.875 S2 -","- C263 H332 N80 Ni16 O55 S16 -","8","2","","Bacher, Felix; Dömötör, Orsolya; Kaltenbrunner, Maria; Mojović, Miloš; Popović-Bijelić, Ana; Gräslund, Astrid; Ozarowski, Andrew; Filipovic, Lana; Radulović, Sinisa; Enyedy, Eva A.; Arion, Vladimir B.","Effects of Terminal Dimethylation and Metal Coordination of Proline-2-formylpyridine Thiosemicarbazone Hybrids on Lipophilicity, Antiproliferative Activity, and hR2 RNR Inhibition.","Inorganic chemistry","2014","","","141112160101001","","10.1021/ic502239u","","","0.71073","MoKα","","0.0459","0.0405","","","0.1058","0.1081","","","","","","1.092","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341623","6.6987","0.0007","13.3713","0.0018","18.755","0.002","90","","90","","90","","1679.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Cu N5 O3 S -","- C15 H21 Cu N5 O3 S -","- C60 H84 Cu4 N20 O12 S4 -","4","1","","Bacher, Felix; Dömötör, Orsolya; Kaltenbrunner, Maria; Mojović, Miloš; Popović-Bijelić, Ana; Gräslund, Astrid; Ozarowski, Andrew; Filipovic, Lana; Radulović, Sinisa; Enyedy, Eva A.; Arion, Vladimir B.","Effects of Terminal Dimethylation and Metal Coordination of Proline-2-formylpyridine Thiosemicarbazone Hybrids on Lipophilicity, Antiproliferative Activity, and hR2 RNR Inhibition.","Inorganic chemistry","2014","","","141112160101001","","10.1021/ic502239u","","","0.71073","MoKα","","0.0196","0.0189","","","0.0518","0.0522","","","","","","1.01","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341624","8.2454","0.0004","11.8012","0.0006","16.8293","0.0007","90","","93.338","0.003","90","","1634.81","0.13","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H19 N5 O3 S Zn -","- C14 H19 N5 O3 S Zn -","- C56 H76 N20 O12 S4 Zn4 -","4","2","","Bacher, Felix; Dömötör, Orsolya; Kaltenbrunner, Maria; Mojović, Miloš; Popović-Bijelić, Ana; Gräslund, Astrid; Ozarowski, Andrew; Filipovic, Lana; Radulović, Sinisa; Enyedy, Eva A.; Arion, Vladimir B.","Effects of Terminal Dimethylation and Metal Coordination of Proline-2-formylpyridine Thiosemicarbazone Hybrids on Lipophilicity, Antiproliferative Activity, and hR2 RNR Inhibition.","Inorganic chemistry","2014","","","141112160101001","","10.1021/ic502239u","","","0.71073","MoKα","","0.0618","0.0408","","","0.0601","0.0647","","","","","","1.019","","","","has coordinates,has disorder","179519","2020-10-21","18:00:00",""
"4341625","18.104","0.0004","15.1508","0.0004","13.8715","0.0004","90","","102.896","0.002","90","","3708.85","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 N O5 Re -","- C17 H22 N O5 Re -","- C136 H176 N8 O40 Re8 -","8","1","","Brink, Alice; Visser, Hendrik G.; Roodt, Andreas","Solid State Isostructural Behavior and Quantified Limiting Substitution Kinetics in Schiff-Base Bidentate Ligand Complexes fac-[Re(O,N-Bid)(CO)3(MeOH)](n.)","Inorganic chemistry","2014","","","141113130540009","","10.1021/ic5019168","","","0.71073","MoKα","","","0.0183","","","","0.0416","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4341626","18.972","0.0007","14.2191","0.0005","14.2316","0.0005","90","","90","","90","","3839.2","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H18 N O5 Re -","- C19 H18 N O5 Re -","- C152 H144 N8 O40 Re8 -","8","1","","Brink, Alice; Visser, Hendrik G.; Roodt, Andreas","Solid State Isostructural Behavior and Quantified Limiting Substitution Kinetics in Schiff-Base Bidentate Ligand Complexes fac-[Re(O,N-Bid)(CO)3(MeOH)](n.)","Inorganic chemistry","2014","","","141113130540009","","10.1021/ic5019168","","","0.71073","MoKα","","","0.0318","","","","0.0775","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341627","18.096","0.004","14.441","0.003","13.753","0.003","90","","107.18","0.03","90","","3433.6","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 N O5 Re -","- C17 H20 N O5 Re -","- C136 H160 N8 O40 Re8 -","8","1","","Brink, Alice; Visser, Hendrik G.; Roodt, Andreas","Solid State Isostructural Behavior and Quantified Limiting Substitution Kinetics in Schiff-Base Bidentate Ligand Complexes fac-[Re(O,N-Bid)(CO)3(MeOH)](n.)","Inorganic chemistry","2014","","","141113130540009","","10.1021/ic5019168","","","0.71073","MoKα","","","0.076","","","","0.2056","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341642","12.1152","0.0011","29.1414","0.0018","9.7545","0.0008","90","","111.044","0.004","90","","3214.2","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H12 La N7 O33 Pb8 -","- La N7 O33 Pb8 -","- La4 N28 O132 Pb32 -","4","1","","Wang, Genxiang; Luo, Min; Lin, Chensheng; Ye, Ning; Zhou, Yuqiao; Cheng, Wendan","Lanthanum Lead Oxide Hydroxide Nitrates with a Nonlinear Optical Effect.","Inorganic chemistry","2014","","","141111081701007","","10.1021/ic502202a","","","0.71073","MoKα","","0.071","0.0658","","","0.1448","0.147","","","","","","1.02","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4341643","12.4804","0.0011","16.3805","0.0015","16.9652","0.0018","90","","90","","90","","3468.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H0 La0.17 N1.17 O5.83 Pb1.33 -","- La0.166667 N1.16667 O5.83333 Pb1.33333 -","- La4 N28 O140 Pb32 -","24","6","","Wang, Genxiang; Luo, Min; Lin, Chensheng; Ye, Ning; Zhou, Yuqiao; Cheng, Wendan","Lanthanum Lead Oxide Hydroxide Nitrates with a Nonlinear Optical Effect.","Inorganic chemistry","2014","","","141111081701007","","10.1021/ic502202a","","","0.71073","MoKα","","0.0617","0.0519","","","0.1064","0.1135","","","","","","1.105","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341644","8.2066","0.0003","22.2411","0.001","20.3594","0.0011","90","","96.76","0.003","90","","3690.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H71 B P4 Ru -","- C30 H71 B P4 Ru -","- C120 H284 B4 P16 Ru4 -","4","1","","Gilbert-Wilson, Ryan; Field, Leslie D.; Bhadbhade, Mohan","Ruthenium Hydrides Containing the Superhindered Polydentate Polyphosphine Ligand P(CH2CH2P(t)Bu2)3.","Inorganic chemistry","2014","","","141112150820006","","10.1021/ic501895s","","","0.71073","MoKα","","0.1188","0.0582","","","0.1085","0.1306","","","","","","1.035","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341645","8.028","0.0006","22.3513","0.0018","20.2652","0.0013","90","","95.535","0.002","90","","3619.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H67 Cl P4 Ru -","- C30 H67 Cl P4 Ru -","- C120 H268 Cl4 P16 Ru4 -","4","1","","Gilbert-Wilson, Ryan; Field, Leslie D.; Bhadbhade, Mohan","Ruthenium Hydrides Containing the Superhindered Polydentate Polyphosphine Ligand P(CH2CH2P(t)Bu2)3.","Inorganic chemistry","2014","","","141112150820006","","10.1021/ic501895s","","","0.71073","MoKα","","0.0733","0.0464","","","0.1072","0.1258","","","","","","0.997","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341646","10.9783","0.0003","13.4176","0.0005","14.3526","0.0005","69.255","0.001","85.009","0.001","69.689","0.001","1852.61","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H71 Al P4 Ru -","- C30 H71 Al P4 Ru -","- C60 H142 Al2 P8 Ru2 -","2","1","","Gilbert-Wilson, Ryan; Field, Leslie D.; Bhadbhade, Mohan","Ruthenium Hydrides Containing the Superhindered Polydentate Polyphosphine Ligand P(CH2CH2P(t)Bu2)3.","Inorganic chemistry","2014","","","141112150820006","","10.1021/ic501895s","","","0.71073","MoKα","","0.0308","0.0253","","","0.061","0.0637","","","","","","1.028","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341647","12.5716","0.0008","12.6716","0.0009","14.4181","0.001","71.966","0.003","79.246","0.003","83.606","0.003","2142.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H75 K P4 Ru -","- C36 H75 K P4 Ru -","- C72 H150 K2 P8 Ru2 -","2","1","","Gilbert-Wilson, Ryan; Field, Leslie D.; Bhadbhade, Mohan","Ruthenium Hydrides Containing the Superhindered Polydentate Polyphosphine Ligand P(CH2CH2P(t)Bu2)3.","Inorganic chemistry","2014","","","141112150820006","","10.1021/ic501895s","","","0.71073","MoKα","","0.0678","0.0415","","","0.0812","0.0931","","","","","","1.02","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341648","8.5017","0.0006","21.3304","0.0016","20.3462","0.0013","90","","99.815","0.002","90","","3635.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H68 N2 P4 Ru -","- C30 H68 N2 P4 Ru -","- C120 H272 N8 P16 Ru4 -","4","1","","Gilbert-Wilson, Ryan; Field, Leslie D.; Bhadbhade, Mohan","Ruthenium Hydrides Containing the Superhindered Polydentate Polyphosphine Ligand P(CH2CH2P(t)Bu2)3.","Inorganic chemistry","2014","","","141112150820006","","10.1021/ic501895s","","","0.71073","MoKα","","0.0426","0.0275","","","0.0837","0.1098","","","","","","0.849","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341649","8.3997","0.0003","21.4472","0.0007","20.3982","0.0006","90","","99.013","0.002","90","","3629.4","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H68 O P4 Ru -","- C31 H68 O P4 Ru -","- C124 H272 O4 P16 Ru4 -","4","1","","Gilbert-Wilson, Ryan; Field, Leslie D.; Bhadbhade, Mohan","Ruthenium Hydrides Containing the Superhindered Polydentate Polyphosphine Ligand P(CH2CH2P(t)Bu2)3.","Inorganic chemistry","2014","","","141112150820006","","10.1021/ic501895s","","","0.71073","MoKα","","0.0429","0.0323","","","0.0745","0.0795","","","","","","1.044","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341650","8.4338","0.0004","20.2875","0.0007","21.5007","0.0008","90","","92.064","0.001","90","","3676.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H67 Cl N2 P4 Ru -","- C30 H67 Cl N2 P4 Ru -","- C120 H268 Cl4 N8 P16 Ru4 -","4","1","","Gilbert-Wilson, Ryan; Field, Leslie D.; Bhadbhade, Mohan","Ruthenium Hydrides Containing the Superhindered Polydentate Polyphosphine Ligand P(CH2CH2P(t)Bu2)3.","Inorganic chemistry","2014","","","141112150820006","","10.1021/ic501895s","","","0.71073","MoKα","","0.0565","0.0449","","","0.104","0.1108","","","","","","1.055","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341652","3.9963","0.0001","3.9963","0.0001","4.0032","0.0001","90","","90","","90","","63.933","0.003","298","","298","","","","","","","","","4","P 4 m m","P 4 -2","99","","","bismuth barium iron oxide fluoride","- Ba0.3 Bi0.7 Fe O2.85 -","- Ba0.3 Bi0.7 Fe O2.85 -","- Ba0.3 Bi0.7 Fe O2.85 -","1","0.125","","Clemens, Oliver; Kruk, Robert; Patterson, Eric A.; Loho, Christoph; Reitz, Christian; Wright, Adrian J.; Knight, Kevin S.; Hahn, Horst; Slater, Peter R.","Introducing a Large Polar Tetragonal Distortion into Ba-Doped BiFeO3 by Low-Temperature Fluorination.","Inorganic chemistry","2014","","","141110153840008","","10.1021/ic502183t","","","1.54176","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341653","3.96243","0.00007","3.96243","0.00007","4.14282","0.00012","90","","90","","90","","65.046","0.002","298","","298","","","","","","","","","5","P 4 m m","P 4 -2","99","","","bismuth barium iron oxide fluoride","- Ba0.3 Bi0.7 F0.3 Fe O2.7 -","- Ba0.3 Bi0.7 F0.3 Fe O2.7 -","- Ba0.3 Bi0.7 F0.3 Fe O2.7 -","1","0.125","","Clemens, Oliver; Kruk, Robert; Patterson, Eric A.; Loho, Christoph; Reitz, Christian; Wright, Adrian J.; Knight, Kevin S.; Hahn, Horst; Slater, Peter R.","Introducing a Large Polar Tetragonal Distortion into Ba-Doped BiFeO3 by Low-Temperature Fluorination.","Inorganic chemistry","2014","","","141110153840008","","10.1021/ic502183t","","","1.54176","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341654","3.9118","0.0002","3.9118","0.0002","4.2589","0.0007","90","","90","","90","","65.17","0.012","298","","298","","","","","","","","","5","P 4 m m","P 4 -2","99","","","bismuth barium iron oxide fluoride","- Ba0.2 Bi0.8 F0.2 Fe O2.8 -","- Ba0.2 Bi0.8 F0.201 Fe O2.799 -","- Ba0.2 Bi0.8 F0.201 Fe O2.799 -","1","0.125","","Clemens, Oliver; Kruk, Robert; Patterson, Eric A.; Loho, Christoph; Reitz, Christian; Wright, Adrian J.; Knight, Kevin S.; Hahn, Horst; Slater, Peter R.","Introducing a Large Polar Tetragonal Distortion into Ba-Doped BiFeO3 by Low-Temperature Fluorination.","Inorganic chemistry","2014","","","141110153840008","","10.1021/ic502183t","","","1.54176","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341655","3.9853","0.0001","3.9853","0.0001","3.9865","0.0001","90","","90","","90","","63.316","0.003","298","","298","","","","","","","","","4","P 4 m m","P 4 -2","99","","","bismuth barium iron oxide fluoride","- Ba0.2 Bi0.8 Fe O2.9 -","- Ba0.2 Bi0.8 Fe O2.9001 -","- Ba0.2 Bi0.8 Fe O2.9001 -","1","0.125","","Clemens, Oliver; Kruk, Robert; Patterson, Eric A.; Loho, Christoph; Reitz, Christian; Wright, Adrian J.; Knight, Kevin S.; Hahn, Horst; Slater, Peter R.","Introducing a Large Polar Tetragonal Distortion into Ba-Doped BiFeO3 by Low-Temperature Fluorination.","Inorganic chemistry","2014","","","141110153840008","","10.1021/ic502183t","","","1.54176","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341666","12.4394","0.0009","21.874","0.0016","14.4668","0.001","90","","110.568","0.001","90","","3685.5","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H43 B9 N P2 Rh S -","- C36 H43 B9 N P2 Rh S -","- C144 H172 B36 N4 P8 Rh4 S4 -","4","1","","Calvo, Beatriz; Roy, Beatriz; Macías, Ramón; Artigas, Maria Jose; Lahoz, Fernando J.; Oro, Luis A.","NH3-Promoted Ligand Lability in Eleven-Vertex Rhodathiaboranes.","Inorganic chemistry","2014","","","141110082111008","","10.1021/ic501779n","","","0.71073","MoKα","","0.0464","0.0389","","","0.0955","0.1014","","","","","","1.087","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341667","15.6504","0.0017","12.9926","0.0014","17.517","0.0018","90","","97.8616","0.0018","90","","3528.4","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H59 Cl2 Ir2 N P2 -","- C34 H59 Cl2 Ir2 N P2 -","- C136 H236 Cl8 Ir8 N4 P8 -","4","1","","Kessler, Julie A.; Iluc, Vlad M.","Ag(I) and Tl(I) Precursors as Transfer Agents of a Pyrrole-Based Pincer Ligand to Late Transition Metals.","Inorganic chemistry","2014","","","141111134546005","","10.1021/ic501600s","","","0.71073","MoKα","","0.0557","0.0338","","","0.0556","0.0588","","","","","","1.023","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341668","10.8266","0.0015","13.6723","0.0019","14.637","0.002","77.549","0.003","83.824","0.003","89.904","0.002","2102.9","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Cl N Ni P2 -","- C18 H34 Cl N Ni P2 -","- C72 H136 Cl4 N4 Ni4 P8 -","4","2","","Kessler, Julie A.; Iluc, Vlad M.","Ag(I) and Tl(I) Precursors as Transfer Agents of a Pyrrole-Based Pincer Ligand to Late Transition Metals.","Inorganic chemistry","2014","","","141111134546005","","10.1021/ic501600s","","","0.71073","MoKα","","0.0764","0.0414","","","0.0637","0.0685","","","","","","0.917","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341669","10.942","0.0008","13.7285","0.001","14.5082","0.0011","77.757","0.003","82.949","0.003","89.707","0.003","2113.2","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Cl N P2 Pt -","- C18 H34 Cl N P2 Pt -","- C72 H136 Cl4 N4 P8 Pt4 -","4","2","","Kessler, Julie A.; Iluc, Vlad M.","Ag(I) and Tl(I) Precursors as Transfer Agents of a Pyrrole-Based Pincer Ligand to Late Transition Metals.","Inorganic chemistry","2014","","","141111134546005","","10.1021/ic501600s","","","0.71073","MoKα","","0.0575","0.0282","","","0.052","0.0574","","","","","","0.967","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341670","9.4029","0.0003","13.8251","0.0004","16.2702","0.0005","90","","90","","90","","2115.06","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H34 N P2 Tl -","- C18 H34 N P2 Tl -","- C72 H136 N4 P8 Tl4 -","4","1","","Kessler, Julie A.; Iluc, Vlad M.","Ag(I) and Tl(I) Precursors as Transfer Agents of a Pyrrole-Based Pincer Ligand to Late Transition Metals.","Inorganic chemistry","2014","","","141111134546005","","10.1021/ic501600s","","","0.71073","MoKα","","0.0156","0.0145","","","0.0292","0.0297","","","","","","1.006","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341671","13.6618","0.0012","16.8234","0.0015","13.9669","0.0013","90","","111.412","0.002","90","","2988.6","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H88 Cl8 Ir2 N2 P4 -","- C48 H88 Cl8 Ir2 N2 P4 -","- C96 H176 Cl16 Ir4 N4 P8 -","2","0.5","","Kessler, Julie A.; Iluc, Vlad M.","Ag(I) and Tl(I) Precursors as Transfer Agents of a Pyrrole-Based Pincer Ligand to Late Transition Metals.","Inorganic chemistry","2014","","","141111134546005","","10.1021/ic501600s","","","0.71073","MoKα","","0.0604","0.0362","","","0.0738","0.0789","","","","","","1.011","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341672","10.6389","0.0008","10.8343","0.0007","17.2221","0.0013","72.0094","0.0015","80.948","0.0017","65.8789","0.0014","1722.1","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H49 Cl N P3 Ru -","- C36 H49 Cl N P3 Ru -","- C72 H98 Cl2 N2 P6 Ru2 -","2","1","","Kessler, Julie A.; Iluc, Vlad M.","Ag(I) and Tl(I) Precursors as Transfer Agents of a Pyrrole-Based Pincer Ligand to Late Transition Metals.","Inorganic chemistry","2014","","","141111134546005","","10.1021/ic501600s","","","0.71073","MoKα","","0.0569","0.0462","","","0.1126","0.1182","","","","","","1.076","","","","has coordinates,has disorder","179519","2020-10-21","18:00:00",""
"4341673","11.6741","0.0008","12.4087","0.0008","28.6835","0.0018","90","","90","","90","","4155.1","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H68 Ag2 N2 P4 -","- C36 H68 Ag2 N2 P4 -","- C144 H272 Ag8 N8 P16 -","4","1","","Kessler, Julie A.; Iluc, Vlad M.","Ag(I) and Tl(I) Precursors as Transfer Agents of a Pyrrole-Based Pincer Ligand to Late Transition Metals.","Inorganic chemistry","2014","","","141111134546005","","10.1021/ic501600s","","","0.71073","MoKα","","0.0487","0.0378","","","0.073","0.0768","","","","","","1.061","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341674","12.507","0.002","19.719","0.003","23.422","0.004","90","","89.692","0.003","90","","5776.4","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H52 F3 O9 S Si2 U -","- C67 H52 F3 O9 S Si2 U -","- C268 H208 F12 O36 S4 Si8 U4 -","4","1","","Pedrick, Elizabeth A.; Wu, Guang; Hayton, Trevor W.","Reductive Silylation of the Uranyl Ion with Ph3SiOTf","Inorganic Chemistry","2014","","","141111154001001","","10.1021/ic502267t","","","0.71073","MoKα","","0.0627","0.0348","","","0.0479","0.052","","","","","","1.118","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341675","13.2871","0.0002","14.1711","0.0003","15.2003","0.0003","63.915","0.001","73.8","0.001","69.232","0.001","2377.6","0.08","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C99 H102 F3 N2 O8 S Si2 U -","- C99 H102 F3 N2 O8 S Si2 U -","- C99 H102 F3 N2 O8 S Si2 U -","1","0.5","","Pedrick, Elizabeth A.; Wu, Guang; Hayton, Trevor W.","Reductive Silylation of the Uranyl Ion with Ph3SiOTf","Inorganic Chemistry","2014","","","141111154001001","","10.1021/ic502267t","","","0.71073","MoKα","","0.032","0.0315","","","0.091","0.0914","","","","","","1.081","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341676","7.223","","7.223","","6.3736","","90","","90","","90","","332.522","","293","","293","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","gadolinium orthovanadate","","- Gd O4 V -","- Gd O4 V -","- Gd4 O16 V4 -","4","0.125","","Szczeszak, Agata; Grzyb, Tomasz; Sniadecki, Zbigniew; Andrzejewska, Nina; Lis, Stefan; Matczak, Michał; Nowaczyk, Grzegorz; Jurga, Stefan; Idzikowski, Bogdan","Structural, Spectroscopic, and Magnetic Properties of Eu(3+)-Doped GdVO4 Nanocrystals Synthesized by a Hydrothermal Method.","Inorganic chemistry","2014","","","141110105842004","","10.1021/ic500354t","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341677","13.174","0.0005","16.4284","0.0007","21.4212","0.0009","80.657","0.001","83.926","0.001","69.03","","4265.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H54 As2 Mo18 N18 O68 -","- C27 H54 As2 Mo18 N18 O68 -","- C54 H108 As4 Mo36 N36 O136 -","2","1","","Zhang, He; Yu, Kai; Wang, Chunmei; Su, Zhanhua; Wang, Chunxiao; Sun, Di; Cai, Honghong; Chen, Zhaoyi; Zhou, Baibin","pH and Ligand Dependent Assembly of Well-Dawson Arsenomolybdate Capped Architectures.","Inorganic chemistry","2014","","","141114084304005","","10.1021/ic5014973","","","0.71073","MoKα","","0.0486","0.0351","","","0.081","0.0874","","","","","","1.012","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341678","9.924","0.005","18.158","0.006","11.927","0.004","90","","105.92","0.02","90","","2066.8","1.4","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N3 O -","- C27 H21 N3 O -","- C108 H84 N12 O4 -","4","1","","Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Petrini, Agnese; Scopelliti, Rosario; Clavel, Catherine M.; Dyson, Paul J.","Synthesis, Structure, and Antiproliferative Activity of Ruthenium(II) Arene Complexes with N,O-Chelating Pyrazolone-Based β-Ketoamine Ligands.","Inorganic chemistry","2014","","","141120142422003","","10.1021/ic502274b","","","0.71073","MoKα","","0.0739","0.0528","","","0.1265","0.1379","","","","","","1.091","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341679","12.577","0.0004","21.8748","0.0004","12.8619","0.0004","90","","111.999","0.004","90","","3280.92","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 Cl N3 O Ru -","- C39 H36 Cl N3 O Ru -","- C156 H144 Cl4 N12 O4 Ru4 -","4","1","","Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Petrini, Agnese; Scopelliti, Rosario; Clavel, Catherine M.; Dyson, Paul J.","Synthesis, Structure, and Antiproliferative Activity of Ruthenium(II) Arene Complexes with N,O-Chelating Pyrazolone-Based β-Ketoamine Ligands.","Inorganic chemistry","2014","","","141120142422003","","10.1021/ic502274b","","","1.54178","CuKα","","0.0913","0.0659","","","0.1763","0.1899","","","","","","1.063","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341680","25.616","0.004","22.8086","0.0014","12.793","0.003","90","","111.701","0.01","90","","6945","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H38 Cl N3 O Ru -","- C43 H38 Cl N3 O Ru -","- C344 H304 Cl8 N24 O8 Ru8 -","8","1","","Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Petrini, Agnese; Scopelliti, Rosario; Clavel, Catherine M.; Dyson, Paul J.","Synthesis, Structure, and Antiproliferative Activity of Ruthenium(II) Arene Complexes with N,O-Chelating Pyrazolone-Based β-Ketoamine Ligands.","Inorganic chemistry","2014","","","141120142422003","","10.1021/ic502274b","","","0.71073","MoKα","","0.0683","0.0502","","","0.1056","0.1151","","","","","","1.133","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341681","14.586","0.005","9.776","0.003","23.383","0.006","90","","92.56","0.017","90","","3330.9","1.8","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cl3 N3 O Ru -","- C38 H36 Cl3 N3 O Ru -","- C152 H144 Cl12 N12 O4 Ru4 -","4","1","","Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Petrini, Agnese; Scopelliti, Rosario; Clavel, Catherine M.; Dyson, Paul J.","Synthesis, Structure, and Antiproliferative Activity of Ruthenium(II) Arene Complexes with N,O-Chelating Pyrazolone-Based β-Ketoamine Ligands.","Inorganic chemistry","2014","","","141120142422003","","10.1021/ic502274b","","","0.71073","MoKα","","0.0952","0.0592","","","0.1393","0.1558","","","","","","0.978","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341682","11.337","0.002","20.592","0.004","14.3231","0.0013","90","","92.579","0.012","90","","3340.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H42 Cl N3 O Ru -","- C37 H42 Cl N3 O Ru -","- C148 H168 Cl4 N12 O4 Ru4 -","4","1","","Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Petrini, Agnese; Scopelliti, Rosario; Clavel, Catherine M.; Dyson, Paul J.","Synthesis, Structure, and Antiproliferative Activity of Ruthenium(II) Arene Complexes with N,O-Chelating Pyrazolone-Based β-Ketoamine Ligands.","Inorganic chemistry","2014","","","141120142422003","","10.1021/ic502274b","","","0.71073","MoKα","","0.1104","0.0649","","","0.1148","0.1337","","","","","","1.139","","","","has coordinates,has disorder","179519","2020-10-21","18:00:00",""
"4341683","33.517","0.005","33.517","0.005","19.157","0.004","90","","90","","120","","18638","6","140","2","140","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C40 H48 Cl3 N3 O Ru -","- C40 H48 Cl3 N3 O Ru -","- C720 H864 Cl54 N54 O18 Ru18 -","18","1","","Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Petrini, Agnese; Scopelliti, Rosario; Clavel, Catherine M.; Dyson, Paul J.","Synthesis, Structure, and Antiproliferative Activity of Ruthenium(II) Arene Complexes with N,O-Chelating Pyrazolone-Based β-Ketoamine Ligands.","Inorganic chemistry","2014","","","141120142422003","","10.1021/ic502274b","","","0.71073","MoKα","","0.1263","0.0966","","","0.269","0.3012","","","","","","1.108","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341684","17.84","0.004","17.86","0.004","18.51","0.004","64.24","0.03","64.98","0.03","86.83","0.03","4753","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C142 H202 Cl8 Cu4 N6 O66 Tb12 -","- C142 H154 Cl7.98 Cu4 N6 O65.96 Tb12 -","- C142 H154 Cl7.98 Cu4 N6 O65.96 Tb12 -","1","0.5","","Langley, Stuart K.; Moubaraki, Boujemaa; Tomasi, Corrado; Evangelisti, Marco; Brechin, Euan K.; Murray, Keith S.","Synthesis, Structure, and Magnetism of a Family of Heterometallic {Cu2Ln7} and {Cu4Ln12} (Ln = Gd, Tb, and Dy) Complexes: The Gd Analogues Exhibiting a Large Magnetocaloric Effect","Inorganic Chemistry","2014","","","141119100121008","","10.1021/ic5023467","","","0.71078","synchrotron","","0.0797","0.0732","","","0.195","0.2001","","","","","","1.032","","","","has coordinates,has disorder","179519","2020-10-21","18:00:00",""
"4341685","17.789","0.004","17.868","0.004","18.447","0.004","64.34","0.03","63.89","0.03","86.39","0.03","4686","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C142 H202 Cl8 Cu4 Dy12 N6 O66 -","- C142 H182 Cl7.98 Cu4 Dy12 N6 O65.96 -","- C142 H182 Cl7.98 Cu4 Dy12 N6 O65.96 -","1","0.5","","Langley, Stuart K.; Moubaraki, Boujemaa; Tomasi, Corrado; Evangelisti, Marco; Brechin, Euan K.; Murray, Keith S.","Synthesis, Structure, and Magnetism of a Family of Heterometallic {Cu2Ln7} and {Cu4Ln12} (Ln = Gd, Tb, and Dy) Complexes: The Gd Analogues Exhibiting a Large Magnetocaloric Effect","Inorganic Chemistry","2014","","","141119100121008","","10.1021/ic5023467","","","0.71078","synchrotron","","0.0693","0.0472","","","0.1194","0.1307","","","","","","1.015","","","","has coordinates,has disorder","179519","2020-10-21","18:00:00",""
"4341686","31.89","0.006","11.82","0.002","29.22","0.006","90","","90","","90","","11014","4","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C68 H118 Cl5 Cu2 Dy7 N4 O45 -","- C68 H86 Cl5 Cu2 Dy7 N4 O45 -","- C272 H344 Cl20 Cu8 Dy28 N16 O180 -","4","1","","Langley, Stuart K.; Moubaraki, Boujemaa; Tomasi, Corrado; Evangelisti, Marco; Brechin, Euan K.; Murray, Keith S.","Synthesis, Structure, and Magnetism of a Family of Heterometallic {Cu2Ln7} and {Cu4Ln12} (Ln = Gd, Tb, and Dy) Complexes: The Gd Analogues Exhibiting a Large Magnetocaloric Effect","Inorganic Chemistry","2014","","","141119100121008","","10.1021/ic5023467","","","0.71078","synchrotron","","0.0351","0.0337","","","0.0931","0.0939","","","","","","1.017","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341687","32.1","0.006","11.9","0.002","29.42","0.006","90","","90","","90","","11238","4","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C69 H122 Cl5 Cu2 Gd7 N4 O46 -","- C69 H89 Cl5 Cu2 Gd7 N4 O46 -","- C276 H356 Cl20 Cu8 Gd28 N16 O184 -","4","1","","Langley, Stuart K.; Moubaraki, Boujemaa; Tomasi, Corrado; Evangelisti, Marco; Brechin, Euan K.; Murray, Keith S.","Synthesis, Structure, and Magnetism of a Family of Heterometallic {Cu2Ln7} and {Cu4Ln12} (Ln = Gd, Tb, and Dy) Complexes: The Gd Analogues Exhibiting a Large Magnetocaloric Effect","Inorganic Chemistry","2014","","","141119100121008","","10.1021/ic5023467","","","0.71078","synchrotron","","0.0377","0.037","","","0.1071","0.1076","","","","","","1.036","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341688","17.81","0.004","17.97","0.004","18.51","0.004","64.27","0.03","64.4","0.03","86.65","0.03","4752","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C142 H202 Cl8 Cu4 Gd12 N6 O66 -","- C142 H182 Cl7.98 Cu4 Gd12 N6 O65.96 -","- C142 H182 Cl7.98 Cu4 Gd12 N6 O65.96 -","1","0.5","","Langley, Stuart K.; Moubaraki, Boujemaa; Tomasi, Corrado; Evangelisti, Marco; Brechin, Euan K.; Murray, Keith S.","Synthesis, Structure, and Magnetism of a Family of Heterometallic {Cu2Ln7} and {Cu4Ln12} (Ln = Gd, Tb, and Dy) Complexes: The Gd Analogues Exhibiting a Large Magnetocaloric Effect","Inorganic Chemistry","2014","","","141119100121008","","10.1021/ic5023467","","","0.71078","synchrotron","","0.0431","0.0403","","","0.1103","0.1125","","","","","","1.036","","","","has coordinates,has disorder","179519","2020-10-21","18:00:00",""
"4341689","32.02","0.006","11.84","0.002","29.39","0.006","90","","90","","90","","11142","4","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C68 H120 Cl5 Cu2 N4 O46 Tb7 -","- C68 H86 Cl5 Cu2 N4 O46 Tb7 -","- C272 H344 Cl20 Cu8 N16 O184 Tb28 -","4","1","","Langley, Stuart K.; Moubaraki, Boujemaa; Tomasi, Corrado; Evangelisti, Marco; Brechin, Euan K.; Murray, Keith S.","Synthesis, Structure, and Magnetism of a Family of Heterometallic {Cu2Ln7} and {Cu4Ln12} (Ln = Gd, Tb, and Dy) Complexes: The Gd Analogues Exhibiting a Large Magnetocaloric Effect","Inorganic Chemistry","2014","","","141119100121008","","10.1021/ic5023467","","","0.71078","synchrotron","","0.0389","0.0376","","","0.1057","0.1066","","","","","","1.036","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341690","13.7569","0.0006","4.16696","0.00006","14.6832","0.0006","90","","115.627","0.003","90","","758.91","0.05","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Cu-Bi-Se pavonite homologues","","","- Bi4.9 Cu1.3 Se8 -","- Bi4.892 Cu1.3 Se8 -","- Bi9.784 Cu2.6 Se16 -","2","0.25","","Hwang, Jae-Yeol; Mun, Hyeon A.; Kim, Sang Il; Lee, Ki Moon; Kim, Jungeun; Lee, Kyu Hyoung; Kim, Sung Wng","Effects of Doping on Transport Properties in Cu-Bi-Se-Based Thermoelectric Materials.","Inorganic chemistry","2014","","","141119101957006","","10.1021/ic5014945","powder diffraction","","0.35497","synchrotron","","","","","","","","","6.416","4.784","","","","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341691","13.7561","0.0006","4.16367","0.00006","14.6828","0.0006","90","","115.709","0.0005","90","","757.72","0.05","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Cu-Bi-Se pavonite homologues","","","- Bi4.7 Cu1.7 Se8 -","- Bi4.7 Cu1.7 Se8 -","- Bi9.4 Cu3.4 Se16 -","2","0.25","","Hwang, Jae-Yeol; Mun, Hyeon A.; Kim, Sang Il; Lee, Ki Moon; Kim, Jungeun; Lee, Kyu Hyoung; Kim, Sung Wng","Effects of Doping on Transport Properties in Cu-Bi-Se-Based Thermoelectric Materials.","Inorganic chemistry","2014","","","141119101957006","","10.1021/ic5014945","powder diffraction","","0.35497","synchrotron","","","","","","","","","4.8655","3.7511","","","","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341692","13.7628","0.0005","4.16451","0.00006","14.6905","0.0005","90","","115.747","0.0006","90","","758.4","0.04","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Cu-Bi-Se pavonite homologues","","","- Bi4.6 Cu1.9 Se8 -","- Bi4.601 Cu1.9 Se8 -","- Bi9.202 Cu3.8 Se16 -","2","0.25","","Hwang, Jae-Yeol; Mun, Hyeon A.; Kim, Sang Il; Lee, Ki Moon; Kim, Jungeun; Lee, Kyu Hyoung; Kim, Sung Wng","Effects of Doping on Transport Properties in Cu-Bi-Se-Based Thermoelectric Materials.","Inorganic chemistry","2014","","","141119101957006","","10.1021/ic5014945","powder diffraction","","0.35497","synchrotron","","","","","","","","","5.1992","4.6245","","","","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341693","15.9892","0.0011","8.1331","0.0006","9.2864","0.0005","90","","90","","90","","1207.62","0.14","173","2","173","2","","","","","","","","4","P m n 21","P 2ac -2","31","TiOBut OBc 1:4","","","- C19 H36 O7 Ti -","- C19 H36 O7 Ti -","- C38 H72 O14 Ti2 -","2","0.5","","Boyle, Timothy J.; Yonemoto, Daniel T.; Doan, Thu Q.; Alam, Todd M.","Synthesis and Structural Characterization of Group 4 Metal Carboxylates for Nanowire Production.","Inorganic chemistry","2014","","","141117102556003","","10.1021/ic501904m","","","0.71073","MoKα","","0.1242","0.0617","","","0.1438","0.1892","","","","","","0.934","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341694","13.0666","0.0004","12.2893","0.0003","19.4521","0.0005","90","","91.102","0.002","90","","3123.03","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H84 O26 Zr4 -","- C48 H84 O26 Zr4 -","- C96 H168 O52 Zr8 -","2","0.5","","Boyle, Timothy J.; Yonemoto, Daniel T.; Doan, Thu Q.; Alam, Todd M.","Synthesis and Structural Characterization of Group 4 Metal Carboxylates for Nanowire Production.","Inorganic chemistry","2014","","","141117102556003","","10.1021/ic501904m","","","0.71073","MoKα","","0.0491","0.0344","","","0.1129","0.1316","","","","","","0.959","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341695","11.357","0.0008","19.37","0.0013","35.211","0.002","90","","90","","90","","7745.9","0.9","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H54 O12 Zr -","- C30 H54 O12 Zr -","- C240 H432 O96 Zr8 -","8","1","","Boyle, Timothy J.; Yonemoto, Daniel T.; Doan, Thu Q.; Alam, Todd M.","Synthesis and Structural Characterization of Group 4 Metal Carboxylates for Nanowire Production.","Inorganic chemistry","2014","","","141117102556003","","10.1021/ic501904m","","","0.71073","MoKα","","0.0945","0.06","","","0.1655","0.1945","","","","","","1.183","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341696","11.8579","0.0013","14.5616","0.0017","22.069","0.003","72.483","0.002","78.79","0.002","68.688","0.001","3369.9","0.7","194","2","194","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H88 O16 Zr2 -","- C48 H88 O16 Zr2 -","- C96 H176 O32 Zr4 -","2","1","","Boyle, Timothy J.; Yonemoto, Daniel T.; Doan, Thu Q.; Alam, Todd M.","Synthesis and Structural Characterization of Group 4 Metal Carboxylates for Nanowire Production.","Inorganic chemistry","2014","","","141117102556003","","10.1021/ic501904m","","","0.71073","MoKα","","0.0846","0.0514","","","0.1362","0.1543","","","","","","0.881","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341697","13.914","0.0004","14.3509","0.0004","20.4398","0.0006","90","","94.1728","0.0015","90","","4070.6","0.2","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","AMLJA061AJMcc","","","- C32 H56 Hf2 O16 -","- C32 H56 Hf2 O16 -","- C128 H224 Hf8 O64 -","4","1","","Boyle, Timothy J.; Yonemoto, Daniel T.; Doan, Thu Q.; Alam, Todd M.","Synthesis and Structural Characterization of Group 4 Metal Carboxylates for Nanowire Production.","Inorganic chemistry","2014","","","141117102556003","","10.1021/ic501904m","","","0.71073","MoKα","","0.0215","0.0206","","","0.0539","0.0667","","","","","","1.177","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341698","16.148","0.005","20.579","0.006","21.896","0.007","90","","110.52","0.002","90","","6815","4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HfOBut OBc 1:4","","","- C40 H71 Hf2 O16 -","- C40 H71 Hf2 O16 -","- C160 H284 Hf8 O64 -","4","1","","Boyle, Timothy J.; Yonemoto, Daniel T.; Doan, Thu Q.; Alam, Todd M.","Synthesis and Structural Characterization of Group 4 Metal Carboxylates for Nanowire Production.","Inorganic chemistry","2014","","","141117102556003","","10.1021/ic501904m","","","0.71073","MoKα","","0.1414","0.0615","","","0.1343","0.1639","","","","","","0.794","","","","has coordinates,has disorder","179519","2020-10-21","18:00:00",""
"4341699","11.3388","0.0005","11.8903","0.0006","43.709","0.002","86.329","0.002","86.672","0.002","87.272","0.002","5865.2","0.5","171","2","171","2","","","","","","","","4","P -1","-P 1","2","HfONc4","","","- C48 H88 Hf2 O16 -","- C48 H88 Hf2 O16 -","- C192 H352 Hf8 O64 -","4","2","","Boyle, Timothy J.; Yonemoto, Daniel T.; Doan, Thu Q.; Alam, Todd M.","Synthesis and Structural Characterization of Group 4 Metal Carboxylates for Nanowire Production.","Inorganic chemistry","2014","","","141117102556003","","10.1021/ic501904m","","","0.71073","MoKα","","0.0966","0.0837","","","0.2591","0.267","","","","","","1.862","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341702","25.4682","0.0009","25.4682","0.0009","15.3628","0.0006","90","","90","","90","","9964.8","0.6","100","2","100","2","","","","","","","","5","P 4","P 4","75","","","","- C96 H128 Co4 Li8 O114 -","- C96 H128 Co4 Li8 O114 -","- C192 H256 Co8 Li16 O228 -","2","0.5","","Nedelko, Natalia; Kornowicz, Arkadiusz; Justyniak, Iwona; Aleshkevych, Pavlo; Prochowicz, Daniel; Krupiński, Piotr; Dorosh, Orest; Ślawska-Waniewska, Anna; Lewiński, Janusz","Supramolecular Control over Molecular Magnetic Materials: γ-Cyclodextrin-Templated Grid of Cobalt(II) Single-Ion Magnets","Inorganic Chemistry","2014","","","141119083628003","","10.1021/ic501870h","","","0.71073","MoKα","","0.1663","0.0973","","","0.1944","0.2426","","","","","","0.912","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341710","19.1618","0.0009","19.1618","0.0009","12.5124","0.0008","90","","90","","120","","3978.7","0.4","293","2","293","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- K4 O46.8 Si W12 -","- K4 O46.8 Si W12 -","- K12 O140.4 Si3 W36 -","3","0.25","","Klonowski, Peter; Goloboy, James C.; Uribe-Romo, Fernando J; Sun, Furong; Zhu, Lingyang; Gándara, Felipe; Wills, Corinne; Errington, R. John; Yaghi, Omar M.; Klemperer, Walter G.","Synthesis and Characterization of the Platinum-Substituted Keggin Anion α-H2SiPtW11O40(4-)","Inorganic chemistry","2014","","","141119142641005","","10.1021/ic502617k","","","0.71073","MoKα","","0.0313","0.0278","","","0.0736","0.0763","","","","","","1.145","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341711","19.1618","0.0009","19.1618","0.0009","12.5124","0.0008","90","","90","","120","","3978.7","0.4","293","2","293","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- K3 O50.13 Si W12 -","- K3 O50.13 Si W12 -","- K9 O150.39 Si3 W36 -","3","0.25","","Klonowski, Peter; Goloboy, James C.; Uribe-Romo, Fernando J; Sun, Furong; Zhu, Lingyang; Gándara, Felipe; Wills, Corinne; Errington, R. John; Yaghi, Omar M.; Klemperer, Walter G.","Synthesis and Characterization of the Platinum-Substituted Keggin Anion α-H2SiPtW11O40(4-)","Inorganic chemistry","2014","","","141119142641005","","10.1021/ic502617k","","","0.71073","MoKα","","0.022","0.0204","","","0.0609","0.0726","","","","","","1.318","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341712","17.576","0.004","17.576","0.004","17.576","0.004","90","","90","","90","","5430","2","100","2","100","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C32.5 O40 Si W12 -","- C32.64 O40 Si W12 -","- C65.28 O80 Si2 W24 -","2","0.0208333","","Klonowski, Peter; Goloboy, James C.; Uribe-Romo, Fernando J; Sun, Furong; Zhu, Lingyang; Gándara, Felipe; Wills, Corinne; Errington, R. John; Yaghi, Omar M.; Klemperer, Walter G.","Synthesis and Characterization of the Platinum-Substituted Keggin Anion α-H2SiPtW11O40(4-)","Inorganic chemistry","2014","","","141119142641005","","10.1021/ic502617k","","","0.7749","","","0.1091","0.1036","","","0.2199","0.2222","","","","","","1.176","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341713","17.669","0.002","17.669","0.002","17.669","0.002","90","","90","","90","","5516.1","1.1","100","2","100","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C7 O40 Si W12 -","- C7 O40 Si W12 -","- C14 O80 Si2 W24 -","2","0.0208333","","Klonowski, Peter; Goloboy, James C.; Uribe-Romo, Fernando J; Sun, Furong; Zhu, Lingyang; Gándara, Felipe; Wills, Corinne; Errington, R. John; Yaghi, Omar M.; Klemperer, Walter G.","Synthesis and Characterization of the Platinum-Substituted Keggin Anion α-H2SiPtW11O40(4-)","Inorganic chemistry","2014","","","141119142641005","","10.1021/ic502617k","","","0.7749","Synchrotron","","0.0392","0.0361","","","0.121","0.1232","","","","","","1.26","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341715","17.58","0.0015","32.562","0.003","15.875","0.0013","90","","117.587","0.001","90","","8054.3","1.2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Cl5 F18 N16 P3 Ru4 -","- C60 H60 Cl5 F18 N16 P3 Ru4 -","- C240 H240 Cl20 F72 N64 P12 Ru16 -","4","0.5","","Ohzu, Shingo; Ishizuka, Tomoya; Kotani, Hiroaki; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Tetranuclear Ruthenium(II) Complex with a Dinucleating Ligand Forming Multi-Mixed-Valence States.","Inorganic chemistry","2014","","","141120093002006","","10.1021/ic502422u","","","0.71073","MoKα","","0.0432","0.0307","","","0.0787","0.0831","","","","","","1.091","","","","has coordinates,has disorder","179520","2020-10-21","18:00:00",""
"4341717","33.222","0.0017","14.273","0.0004","22.5073","0.0012","90","","124.968","0.008","90","","8745.8","1.1","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H80 Cl6 Eu2 N8 O14 -","- C96 H80 Cl6 Eu2 N8 O14 -","- C384 H320 Cl24 Eu8 N32 O56 -","4","0.5","","Zhou, Xianju; Zhao, Xiaoqi; Wang, Yongjie; Wu, Bing; Shen, Jun; Li, Li; Li, Qingxu","Eu(III) and Tb(III) Complexes with the Nonsteroidal Anti-Inflammatory Drug Carprofen: Synthesis, Crystal Structure, and Photophysical Properties.","Inorganic chemistry","2014","","","141117155401003","","10.1021/ic501252x","","","0.71073","MoKα","","0.0429","0.0314","","","0.0674","0.0721","","","","","","1.048","","","","has coordinates,has disorder","179520","2020-10-21","18:00:00",""
"4341718","8.6403","0.0003","11.2005","0.0004","13.5845","0.0005","68.946","0.003","79.002","0.003","80.171","0.003","1196.84","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Fe N8 Se2 -","- C24 H20 Fe N8 Se2 -","- C48 H40 Fe2 N16 Se4 -","2","1","","Zheng, Sipeng; Siegler, Maxime A.; Roubeau, Olivier; Bonnet, Sylvestre","Influence of Selenocyanate Ligands on the Transition Temperature and Cooperativity of bapbpy-Based Fe(II) Spin-Crossover Compounds.","Inorganic chemistry","2014","","","141120111827001","","10.1021/ic502381m","","","1.54178","CuKα","","0.0255","0.0248","","","0.0652","0.0656","","","","","","1.015","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341719","13.2071","0.0003","13.3999","0.0003","14.0838","0.0003","90","","105.467","0.002","90","","2402.2","0.1","102","2","102","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Fe N8 Se2 -","- C24 H20 Fe N8 Se2 -","- C96 H80 Fe4 N32 Se8 -","4","0.5","","Zheng, Sipeng; Siegler, Maxime A.; Roubeau, Olivier; Bonnet, Sylvestre","Influence of Selenocyanate Ligands on the Transition Temperature and Cooperativity of bapbpy-Based Fe(II) Spin-Crossover Compounds.","Inorganic chemistry","2014","","","141120111827001","","10.1021/ic502381m","","","0.71073","MoKα","","0.0289","0.024","","","0.0596","0.0615","","","","","","1.076","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341720","8.5705","0.0003","10.9724","0.0004","13.3111","0.0004","69.364","0.003","79.591","0.003","80.737","0.003","1145.71","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Fe N8 S2 -","- C24 H20 Fe N8 S2 -","- C48 H40 Fe2 N16 S4 -","2","1","","Zheng, Sipeng; Siegler, Maxime A.; Roubeau, Olivier; Bonnet, Sylvestre","Influence of Selenocyanate Ligands on the Transition Temperature and Cooperativity of bapbpy-Based Fe(II) Spin-Crossover Compounds.","Inorganic chemistry","2014","","","141120111827001","","10.1021/ic502381m","","","0.71073","MoKα","","0.0364","0.0301","","","0.077","0.0798","","","","","","1.03","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341721","9.0074","0.0003","11.3214","0.0003","13.6382","0.0003","75.312","0.002","89.534","0.002","81.41","0.002","1329.59","0.07","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Fe N8 O Se2 -","- C25 H24 Fe N8 O Se2 -","- C50 H48 Fe2 N16 O2 Se4 -","2","1","","Zheng, Sipeng; Siegler, Maxime A.; Roubeau, Olivier; Bonnet, Sylvestre","Influence of Selenocyanate Ligands on the Transition Temperature and Cooperativity of bapbpy-Based Fe(II) Spin-Crossover Compounds.","Inorganic chemistry","2014","","","141120111827001","","10.1021/ic502381m","","","1.54178","CuKα","","0.0293","0.0282","","","0.0744","0.0755","","","","","","1.041","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341722","13.031","0.0002","14.0929","0.0003","14.649","0.0003","90","","94.4729","0.0015","90","","2682.02","0.09","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 Fe N8 Se2 -","- C30 H20 Fe N8 Se2 -","- C120 H80 Fe4 N32 Se8 -","4","0.5","","Zheng, Sipeng; Siegler, Maxime A.; Roubeau, Olivier; Bonnet, Sylvestre","Influence of Selenocyanate Ligands on the Transition Temperature and Cooperativity of bapbpy-Based Fe(II) Spin-Crossover Compounds.","Inorganic chemistry","2014","","","141120111827001","","10.1021/ic502381m","","","0.71073","MoKα","","0.0407","0.034","","","0.0929","0.0964","","","","","","1.044","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341723","13.4237","0.0003","13.3663","0.0004","14.2028","0.0005","90","","101.916","0.003","90","","2493.43","0.13","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Fe N8 Se2 -","- C24 H20 Fe N8 Se2 -","- C96 H80 Fe4 N32 Se8 -","4","0.5","","Zheng, Sipeng; Siegler, Maxime A.; Roubeau, Olivier; Bonnet, Sylvestre","Influence of Selenocyanate Ligands on the Transition Temperature and Cooperativity of bapbpy-Based Fe(II) Spin-Crossover Compounds.","Inorganic chemistry","2014","","","141120111827001","","10.1021/ic502381m","","","0.71073","MoKα","","0.0459","0.0351","","","0.0841","0.0894","","","","","","1.039","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341724","11.938","0.005","12.248","0.005","17.642","0.005","109.644","0.005","99.08","0.005","94.664","0.005","2373.8","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2",";NiTPP(NO2)Br2(Py);","2-Nitro-5,10,12,13,15,20-diphenylporphyrinato Nickel(II)","","- C61 H40 N6 Ni O2 -","- C61 H40 N6 Ni O2 -","- C122 H80 N12 Ni2 O4 -","2","1","","Kumar, Ravi; Sankar, Muniappan","Synthesis, Spectral, and Electrochemical Studies of Electronically Tunable β-Substituted Porphyrins with Mixed Substituent Pattern.","Inorganic chemistry","2014","","","141120083817000","","10.1021/ic501259g","","","0.71073","MoKα","","0.1337","0.0615","","","0.1511","0.1949","","","","","","1.033","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341725","12.7702","0.0006","13.5976","0.0006","16.1781","0.0007","66.257","0.002","79.41","0.002","75.696","0.002","2480.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","ZnTPP(NO2)(PE)2(CH3OH)","2-Nitro-12,13-phenylethynyl-5,10,15,20-tetraphenylporphyrinato Zn(II)","","- C61 H43 N5 O4 Zn -","- C61 H43 N5 O4 Zn -","- C122 H86 N10 O8 Zn2 -","2","1","","Kumar, Ravi; Sankar, Muniappan","Synthesis, Spectral, and Electrochemical Studies of Electronically Tunable β-Substituted Porphyrins with Mixed Substituent Pattern.","Inorganic chemistry","2014","","","141120083817000","","10.1021/ic501259g","","","0.71073","MoKα","","0.094","0.0625","","","0.1886","0.2166","","","","","","1.035","","","","has coordinates,has disorder","179520","2020-10-21","18:00:00",""
"4341726","12.4902","0.0016","13.544","0.002","14.3812","0.0019","107.593","0.007","108.531","0.007","103.813","0.008","2042.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","ZnTPP(NO2)Br2","2-Nitro-12,13-dibromo-5,10,15,20-tetraphenylporphyrinato zinc(II)","","- C45 H29 Br2 N5 O5 Zn -","- C45 H29 Br2 N5 O5 Zn -","- C90 H58 Br4 N10 O10 Zn2 -","2","1","","Kumar, Ravi; Sankar, Muniappan","Synthesis, Spectral, and Electrochemical Studies of Electronically Tunable β-Substituted Porphyrins with Mixed Substituent Pattern.","Inorganic chemistry","2014","","","141120083817000","","10.1021/ic501259g","","","0.71073","MoKα","","0.2755","0.1061","","","0.2598","0.3665","","","","","","0.947","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341727","13.948","0.005","14.27","0.005","14.559","0.005","118.629","0.005","94.368","0.005","112.334","0.005","2230.5","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2",";H2TPP(NO2)Th2;","2-Nitro-12,13-bis(2-thienyl)-5,10,15,20-tetraphenylporphyrin","","- C53 H39 N5 O4 S2 -","- C53 H39 N5 O4 S2 -","- C106 H78 N10 O8 S4 -","2","1","","Kumar, Ravi; Sankar, Muniappan","Synthesis, Spectral, and Electrochemical Studies of Electronically Tunable β-Substituted Porphyrins with Mixed Substituent Pattern.","Inorganic chemistry","2014","","","141120083817000","","10.1021/ic501259g","","","0.71073","MoKα","","0.2404","0.1045","","","0.3074","0.389","","","","","","1.064","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341728","14.211","0.005","14.367","0.005","19.651","0.005","89.091","0.005","89.869","0.005","89.984","0.005","4012","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","NiTPP(NO2)Br6","2-Nitro-7,8,12,13,17,18-hexabromo-meso-tetraphenylporphyrinato Nickel(II)","","- C44 H21 Br6 N5 Ni O2 -","- C44 H21 Br6 N5 Ni O2 -","- C176 H84 Br24 N20 Ni4 O8 -","4","2","","Kumar, Ravi; Sankar, Muniappan","Synthesis, Spectral, and Electrochemical Studies of Electronically Tunable β-Substituted Porphyrins with Mixed Substituent Pattern.","Inorganic chemistry","2014","","","141120083817000","","10.1021/ic501259g","","","0.71073","MoKα","","0.1191","0.0585","","","0.1562","0.183","","","","","","1.034","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341729","27.511","0.005","23.284","0.005","18.752","0.005","90","0.005","131.079","0.005","90","0.005","9055","4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 N12 O8 Zn -","- C16 H22 N12 O8 Zn -","- C128 H176 N96 O64 Zn8 -","8","1","","Karmakar, Avishek; Manna, Biplab; Desai, Aamod V.; Joarder, Biplab; Ghosh, Sujit K.","Dynamic Metal-Organic Framework with Anion-Triggered Luminescence Modulation Behavior.","Inorganic chemistry","2014","","","141118130516009","","10.1021/ic501477u","","","0.71069","MoKα","","0.0801","0.0645","","","0.1771","0.1859","","","","","","1.095","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341730","18.834","0.005","12.345","0.005","15.224","0.005","90","0.005","106.163","0.005","90","0.005","3400","2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 B2 F8 N10 O2 Zn -","- C16 H22 B2 F8 N10 O2 Zn -","- C64 H88 B8 F32 N40 O8 Zn4 -","4","0.5","","Karmakar, Avishek; Manna, Biplab; Desai, Aamod V.; Joarder, Biplab; Ghosh, Sujit K.","Dynamic Metal-Organic Framework with Anion-Triggered Luminescence Modulation Behavior.","Inorganic chemistry","2014","","","141118130516009","","10.1021/ic501477u","","","0.71073","MoKα","","0.0608","0.054","","","0.1247","0.1276","","","","","","1.096","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341731","18.74","0.004","12.6","0.002","15.198","0.003","90","","105.597","0.004","90","","3456.5","1.1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Cl2 N10 O10 Zn -","- C16 H22 Cl2 N10 O10 Zn -","- C64 H88 Cl8 N40 O40 Zn4 -","4","0.5","","Karmakar, Avishek; Manna, Biplab; Desai, Aamod V.; Joarder, Biplab; Ghosh, Sujit K.","Dynamic Metal-Organic Framework with Anion-Triggered Luminescence Modulation Behavior.","Inorganic chemistry","2014","","","141118130516009","","10.1021/ic501477u","","","0.71073","MoKα","","0.0717","0.0661","","","0.1765","0.1813","","","","","","1.042","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341732","11.1117","0.0009","8.5888","0.0008","24.822","0.002","90","","95.384","0.002","90","","2358.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CoLN5(H2O)2]Cl2","","","- C15 H35 Cl2 Co N5 O6 -","- C15 H35 Cl2 Co N5 O6 -","- C60 H140 Cl8 Co4 N20 O24 -","4","1","","Huang, Xing-Cai; Zhou, Chun; Shao, Dong; Wang, Xin-Yi","Field-Induced Slow Magnetic Relaxation in Cobalt(II) Compounds with Pentagonal Bipyramid Geometry.","Inorganic chemistry","2014","","","141119111055003","","10.1021/ic502006s","","","0.71073","MoKα","","0.0483","0.0336","","","0.0767","0.0828","","","","","","1.035","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341733","8.551","0.001","15.038","0.0017","21.425","0.002","90","","90","","90","","2755","0.5","123","2","123","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Co(dapb)(im)2","","","- C29 H29 Co N9 O3 -","- C29 H29 Co N9 O3 -","- C116 H116 Co4 N36 O12 -","4","0.5","","Huang, Xing-Cai; Zhou, Chun; Shao, Dong; Wang, Xin-Yi","Field-Induced Slow Magnetic Relaxation in Cobalt(II) Compounds with Pentagonal Bipyramid Geometry.","Inorganic chemistry","2014","","","141119111055003","","10.1021/ic502006s","","","0.71073","MoKα","","0.0315","0.0302","","","0.0727","0.0733","","","","","","1.016","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341734","7.0823","0.0017","12.093","0.003","9.591","0.002","90","","108.514","0.003","90","","778.9","0.3","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C14 H24 Co N2 O7 -","- C14 H24 Co N2 O7 -","- C28 H48 Co2 N4 O14 -","2","1","","Regueiro-Figueroa, Martín; Lima, Luís M. P.; Blanco, Víctor; Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Delgado, Rita; Platas-Iglesias, Carlos","Reasons behind the Relative Abundances of Heptacoordinate Complexes along the Late First-Row Transition Metal Series","Inorganic Chemistry","2014","","","141121114021002","","10.1021/ic501869y","","x-ray","0.71073","MoKα","","0.0416","0.04","","","0.1043","0.1062","","","","","","1.043","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341735","7.088","0.003","7.088","0.003","34.725","0.016","90","","90","","90","","1744.6","1.3","100","2","100","2","","","","","","","synthesis as described","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H28 N2 Ni O9 -","- C14 H28 N2 Ni O9 -","- C56 H112 N8 Ni4 O36 -","4","0.5","","Regueiro-Figueroa, Martín; Lima, Luís M. P.; Blanco, Víctor; Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Delgado, Rita; Platas-Iglesias, Carlos","Reasons behind the Relative Abundances of Heptacoordinate Complexes along the Late First-Row Transition Metal Series","Inorganic Chemistry","2014","","","141121114021002","","10.1021/ic501869y","","x-ray","0.71073","MoKα","","0.032","0.0279","","","0.0588","0.0602","","","","","","1.075","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341736","7.1445","0.0017","12.036","0.003","9.538","0.002","90","","108.082","0.003","90","","779.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H24 Cu N2 O7 -","- C14 H24 Cu N2 O7 -","- C28 H48 Cu2 N4 O14 -","2","1","","Regueiro-Figueroa, Martín; Lima, Luís M. P.; Blanco, Víctor; Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Delgado, Rita; Platas-Iglesias, Carlos","Reasons behind the Relative Abundances of Heptacoordinate Complexes along the Late First-Row Transition Metal Series","Inorganic Chemistry","2014","","","141121114021002","","10.1021/ic501869y","","","0.71073","MoKα","","0.0592","0.0542","","","0.1429","0.1488","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341737","10.903","0.0003","11.8602","0.0004","19.2917","0.0006","103.052","0.002","90.186","0.002","106.5","0.002","2324.05","0.13","150","0.02","150","0.02","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H53 B2 N12 Te U -","- C39.5 H49 B2 N12 Te U -","- C79 H98 B4 N24 Te2 U2 -","2","1","","Matson, Ellen M.; Breshears, Andrew T.; Kiernicki, John J.; Newell, Brian S.; Fanwick, Phillip E.; Shores, Matthew P.; Walensky, Justin R.; Bart, Suzanne C.","Trivalent Uranium Phenylchalcogenide Complexes: Exploring the Bonding and Reactivity with CS2in the Tp*2UEPh Series (E = O, S, Se, Te)","Inorganic Chemistry","2014","","","141121084824006","","10.1021/ic5020658","","","0.71073","MO-Kα","","0.065","0.051","","","0.105","0.112","","","","","","1.123","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4341738","11.2943","0.0005","14.3126","0.0005","17.4998","0.0008","72.318","0.002","74.613","0.003","69.986","0.003","2490.96","0.19","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H61 B2 N12 S3 U -","- C47.5 H57 B2 N12 S3 U -","- C95 H114 B4 N24 S6 U2 -","2","1","","Matson, Ellen M.; Breshears, Andrew T.; Kiernicki, John J.; Newell, Brian S.; Fanwick, Phillip E.; Shores, Matthew P.; Walensky, Justin R.; Bart, Suzanne C.","Trivalent Uranium Phenylchalcogenide Complexes: Exploring the Bonding and Reactivity with CS2in the Tp*2UEPh Series (E = O, S, Se, Te)","Inorganic Chemistry","2014","","","141121084824006","","10.1021/ic5020658","","","1.54184","CU-Kα","","0.039","0.039","","","0.103","0.104","","","","","","1.055","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4341745","11.368","0.002","12.587","0.003","18.617","0.004","87.41","0.03","75.25","0.03","85.64","0.03","2567.7","1","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H53 Cl2 Cu2 N9 O11 S -","- C47 H53 Cl2 Cu2 N9 O11 S -","- C94 H106 Cl4 Cu4 N18 O22 S2 -","2","1","","Buitrago, Elina; Vuillamy, Alexandra; Boumendjel, Ahcène; Yi, Wei; Gellon, Gisèle; Hardré, Renaud; Philouze, Christian; Serratrice, Guy; Jamet, Hélène; Réglier, Marius; Belle, Catherine","Exploring the Interaction of N/S Compounds with a Dicopper Center: Tyrosinase Inhibition and Model Studies","Inorganic Chemistry","2014","","","141121084717003","","10.1021/ic501829s","","x-ray","0.71073","MoKα","","0.0733","0.0422","","","0.0956","0.1133","","","","","","1.108","","","","has coordinates,has disorder","179520","2020-10-21","18:00:00",""
"4341746","10.409","0.005","14.377","0.005","15.537","0.005","98.744","0.005","107.054","0.005","108.745","0.005","2025.6","1.4","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H43 Cl2 Cu2 N6 O11 -","- C37 H43 Cl2 Cu2 N6 O11 -","- C74 H86 Cl4 Cu4 N12 O22 -","2","1","","Buitrago, Elina; Vuillamy, Alexandra; Boumendjel, Ahcène; Yi, Wei; Gellon, Gisèle; Hardré, Renaud; Philouze, Christian; Serratrice, Guy; Jamet, Hélène; Réglier, Marius; Belle, Catherine","Exploring the Interaction of N/S Compounds with a Dicopper Center: Tyrosinase Inhibition and Model Studies","Inorganic Chemistry","2014","","","141121084717003","","10.1021/ic501829s","","x-ray","0.71073","MoKα","","0.1296","0.0928","","","0.2573","0.2775","","","","","","1.139","","","","has coordinates,has disorder","179520","2020-10-21","18:00:00",""
"4341747","9.976","0.002","10.682","0.002","22.847","0.005","97.76","0.03","100.21","0.03","103.22","0.03","2293.1","0.9","200","2","200","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H48 Cl2 Cu2 N8 O10 S -","- C44 H48 Cl2 Cu2 N8 O10 S -","- C88 H96 Cl4 Cu4 N16 O20 S2 -","2","1","","Buitrago, Elina; Vuillamy, Alexandra; Boumendjel, Ahcène; Yi, Wei; Gellon, Gisèle; Hardré, Renaud; Philouze, Christian; Serratrice, Guy; Jamet, Hélène; Réglier, Marius; Belle, Catherine","Exploring the Interaction of N/S Compounds with a Dicopper Center: Tyrosinase Inhibition and Model Studies","Inorganic Chemistry","2014","","","141121084717003","","10.1021/ic501829s","","x-ray","0.71073","MoKα","","0.1258","0.0947","","","0.2216","0.2386","","","","","","1.205","","","","has coordinates,has disorder","179520","2020-10-21","18:00:00",""
"4341748","7.493","0.0015","10.348","0.002","11.22","0.002","90","","94.62","0.03","90","","867.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Cl Co N2 O3 -","- C6 H7 Cl Co N2 O3 -","- C24 H28 Cl4 Co4 N8 O12 -","4","1","","Liu, Ting; Gao, Su-Mei; Xu, Long-Yang; Zhao, Jiong-Peng; Liu, Fu-Chen; Hu, Hai-Liang; Kang, Zhen-Hui","Design and Synthesis of Stable Cobalt-Based Weak Ferromagnetic Framework with Large Spin Canting Angle.","Inorganic chemistry","2014","","","141202093155003","","10.1021/ic502177k","","","0.71073","MoKα","","0.0306","0.027","","","0.0621","0.0635","","","","","","1.136","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341749","11.3528","0.0016","11.3528","0.0016","23.145","0.005","90","","90","","90","","2983.1","0.9","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C20 H16 Cl2 Co3 N8 O10 -","- C20 H12 Cl2 Co3 N8 O10 -","- C80 H48 Cl8 Co12 N32 O40 -","4","0.25","","Liu, Ting; Gao, Su-Mei; Xu, Long-Yang; Zhao, Jiong-Peng; Liu, Fu-Chen; Hu, Hai-Liang; Kang, Zhen-Hui","Design and Synthesis of Stable Cobalt-Based Weak Ferromagnetic Framework with Large Spin Canting Angle.","Inorganic chemistry","2014","","","141202093155003","","10.1021/ic502177k","","","0.71073","MoKα","","0.1055","0.0841","","","0.169","0.1783","","","","","","1.343","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341750","8.9978","0.0018","9.4638","0.0019","10.433","0.002","90","","90","","90","","888.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Co N2 O5 -","- C7 H4 Co N2 O5 -","- C28 H16 Co4 N8 O20 -","4","1","","Liu, Ting; Gao, Su-Mei; Xu, Long-Yang; Zhao, Jiong-Peng; Liu, Fu-Chen; Hu, Hai-Liang; Kang, Zhen-Hui","Design and Synthesis of Stable Cobalt-Based Weak Ferromagnetic Framework with Large Spin Canting Angle.","Inorganic chemistry","2014","","","141202093155003","","10.1021/ic502177k","","","0.71073","MoKα","","0.0839","0.0746","","","0.1855","0.1902","","","","","","1.254","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341751","8.9199","0.0018","9.4566","0.0019","10.414","0.002","90","","90","","90","","878.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Co N2 O6 -","- C6 H4 Co N2 O6 -","- C24 H16 Co4 N8 O24 -","4","1","","Liu, Ting; Gao, Su-Mei; Xu, Long-Yang; Zhao, Jiong-Peng; Liu, Fu-Chen; Hu, Hai-Liang; Kang, Zhen-Hui","Design and Synthesis of Stable Cobalt-Based Weak Ferromagnetic Framework with Large Spin Canting Angle.","Inorganic chemistry","2014","","","141202093155003","","10.1021/ic502177k","","","0.71073","MoKα","","0.0937","0.0885","","","0.2134","0.2164","","","","","","1.396","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341752","21.565","0.003","9.4739","0.0013","14.027","0.002","90","","90","","90","","2865.8","0.7","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H20 Cu N6 O8 S2 -","- C28 H20 Cu N6 O8 S2 -","- C112 H80 Cu4 N24 O32 S8 -","4","0.5","","Li, Chen; Yin, Bing; Kang, Yifan; Liu, Ping; Chen, Liang; Wang, Yaoyu; Li, Jianli","Mixed Ligand Cu(II)N2O2 Complexes: Biomimetic Synthesis, Activities in Vitro and Biological Models, Theoretical Calculations.","Inorganic chemistry","2014","","","141203154341001","","10.1021/ic5021548","","","0.71073","MoKα","","0.0295","0.0251","","","0.07","0.0728","","","","","","1.045","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341753","7.1887","0.0011","9.6527","0.0014","12.1714","0.0018","100.088","0.002","105.844","0.002","96.898","0.002","787.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cu N6 O10 S2 -","- C30 H24 Cu N6 O10 S2 -","- C30 H24 Cu N6 O10 S2 -","1","0.5","","Li, Chen; Yin, Bing; Kang, Yifan; Liu, Ping; Chen, Liang; Wang, Yaoyu; Li, Jianli","Mixed Ligand Cu(II)N2O2 Complexes: Biomimetic Synthesis, Activities in Vitro and Biological Models, Theoretical Calculations.","Inorganic chemistry","2014","","","141203154341001","","10.1021/ic5021548","","","0.71073","MoKα","","0.0592","0.0443","","","0.1005","0.1084","","","","","","1.054","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341754","7.3711","0.0011","9.3327","0.0014","11.4296","0.0017","89.498","0.003","74.108","0.002","76.736","0.002","734.81","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cu N6 O8 S2 -","- C28 H20 Cu N6 O8 S2 -","- C28 H20 Cu N6 O8 S2 -","1","0.5","","Li, Chen; Yin, Bing; Kang, Yifan; Liu, Ping; Chen, Liang; Wang, Yaoyu; Li, Jianli","Mixed Ligand Cu(II)N2O2 Complexes: Biomimetic Synthesis, Activities in Vitro and Biological Models, Theoretical Calculations.","Inorganic chemistry","2014","","","141203154341001","","10.1021/ic5021548","","","0.71073","MoKα","","0.0581","0.0448","","","0.102","0.1118","","","","","","1.026","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341755","15.2526","0.0011","10.8566","0.0008","13.9408","0.001","90","","113.559","0.001","90","","2116.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O2 Pt S -","- C24 H21 N O2 Pt S -","- C96 H84 N4 O8 Pt4 S4 -","4","1","","Yang, Xiaolong; Xu, Xianbin; Zhao, Jiang; Dang, Jing-Shuang; Huang, Zuan; Yan, Xiaogang; Zhou, Guijiang; Wang, Dongdong","Phosphorescent Platinum(II) Complexes Bearing 2-Vinylpyridine-type Ligands: Synthesis, Electrochemical and Photophysical Properties, and Tuning of Electrophosphorescent Behavior by Main-Group Moieties.","Inorganic chemistry","2014","","","141204103846004","","10.1021/ic502122t","","","0.71073","MoKα","","0.0469","0.0301","","","0.0702","0.0891","","","","","","1.024","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341756","8.5632","0.0006","10.5141","0.0008","25.0136","0.0018","90","","90","","90","","2252.1","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O4 Pt S -","- C24 H21 N O4 Pt S -","- C96 H84 N4 O16 Pt4 S4 -","4","1","","Yang, Xiaolong; Xu, Xianbin; Zhao, Jiang; Dang, Jing-Shuang; Huang, Zuan; Yan, Xiaogang; Zhou, Guijiang; Wang, Dongdong","Phosphorescent Platinum(II) Complexes Bearing 2-Vinylpyridine-type Ligands: Synthesis, Electrochemical and Photophysical Properties, and Tuning of Electrophosphorescent Behavior by Main-Group Moieties.","Inorganic chemistry","2014","","","141204103846004","","10.1021/ic502122t","","","0.71073","MoKα","","0.0919","0.0603","","","0.1516","0.1678","","","","","","1.065","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341757","8.4647","0.0008","10.4529","0.0009","17.8442","0.0015","80.997","0.001","88.278","0.002","85.053","0.001","1553.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 B N O2 Pt -","- C36 H38 B N O2 Pt -","- C72 H76 B2 N2 O4 Pt2 -","2","1","","Yang, Xiaolong; Xu, Xianbin; Zhao, Jiang; Dang, Jing-Shuang; Huang, Zuan; Yan, Xiaogang; Zhou, Guijiang; Wang, Dongdong","Phosphorescent Platinum(II) Complexes Bearing 2-Vinylpyridine-type Ligands: Synthesis, Electrochemical and Photophysical Properties, and Tuning of Electrophosphorescent Behavior by Main-Group Moieties.","Inorganic chemistry","2014","","","141204103846004","","10.1021/ic502122t","","","0.71073","MoKα","","0.0505","0.0386","","","0.0834","0.091","","","","","","1.029","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341758","10.6036","0.0008","9.7918","0.0007","29.608","0.002","90","","93.745","0.001","90","","3067.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 Ge N O2 Pt -","- C36 H31 Ge N O2 Pt -","- C144 H124 Ge4 N4 O8 Pt4 -","4","1","","Yang, Xiaolong; Xu, Xianbin; Zhao, Jiang; Dang, Jing-Shuang; Huang, Zuan; Yan, Xiaogang; Zhou, Guijiang; Wang, Dongdong","Phosphorescent Platinum(II) Complexes Bearing 2-Vinylpyridine-type Ligands: Synthesis, Electrochemical and Photophysical Properties, and Tuning of Electrophosphorescent Behavior by Main-Group Moieties.","Inorganic chemistry","2014","","","141204103846004","","10.1021/ic502122t","","","0.71073","MoKα","","0.0669","0.037","","","0.067","0.0767","","","","","","0.917","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341759","10.5375","0.0008","9.796","0.0008","29.515","0.002","90","","93.348","0.002","90","","3041.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N O2 Pt Si -","- C36 H31 N O2 Pt Si -","- C144 H124 N4 O8 Pt4 Si4 -","4","1","","Yang, Xiaolong; Xu, Xianbin; Zhao, Jiang; Dang, Jing-Shuang; Huang, Zuan; Yan, Xiaogang; Zhou, Guijiang; Wang, Dongdong","Phosphorescent Platinum(II) Complexes Bearing 2-Vinylpyridine-type Ligands: Synthesis, Electrochemical and Photophysical Properties, and Tuning of Electrophosphorescent Behavior by Main-Group Moieties.","Inorganic chemistry","2014","","","141204103846004","","10.1021/ic502122t","","","0.71073","MoKα","","0.0772","0.0429","","","0.0978","0.1153","","","","","","0.877","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341761","11.2546","0.0003","12.9161","0.0004","15.0198","0.0004","90","","90.401","0.001","90","","2183.31","0.11","100","2","100","2","","","","","","","synthetical product","6","P 1 21/c 1","-P 2ybc","14","","chloro-bis(2-(1-methylpyrazol-3-yl)-4-methoxy-phenolato-N,O)-oxo-rhenium(V)","","- C22 H22 Cl N4 O5 Re -","- C22 H22 Cl N4 O5 Re -","- C88 H88 Cl4 N16 O20 Re4 -","4","1","","Zwettler, Niklas; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxorhenium(V) Complexes with Phenolate-Pyrazole Ligands for Olefin Epoxidation Using Hydrogen Peroxide.","Inorganic chemistry","2014","","","141202093837009","","10.1021/ic501794z","","","0.71073","MoKα","","0.0416","0.0299","","","0.08","0.0879","","","","","","1.063","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341762","12.2426","0.0005","19.812","0.0009","22.8527","0.001","90","","99.343","0.001","90","","5469.4","0.4","100","2","100","2","","","","","","","synthetical product","7","C 1 2/c 1","-C 2yc","15","","dichloro-(2-(1-methylpyrazol-3-yl)-4-methoxy-phenolato-N,O)-oxo-(triphenyl- phosphine)-rhenium(V)","","- C29 H26 Cl2 N2 O3 P Re -","- C29 H26 Cl2 N2 O3 P Re -","- C232 H208 Cl16 N16 O24 P8 Re8 -","8","1","","Zwettler, Niklas; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxorhenium(V) Complexes with Phenolate-Pyrazole Ligands for Olefin Epoxidation Using Hydrogen Peroxide.","Inorganic chemistry","2014","","","141202093837009","","10.1021/ic501794z","","","0.71073","MoKα","","0.019","0.0168","","","0.0411","0.0421","","","","","","1.073","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341763","9.3605","0.0005","10.4113","0.0005","14.5555","0.0007","105.66","0.0016","99.0462","0.0015","95.7507","0.0016","1333.6","0.12","100","2","100","2","","","","","","","synthetical product","7","P -1","-P 1","2","","dichloro-(2-(1-methylpyrazol-3-yl)-4-nitro-phenolato-N,O)-oxo-(triphenyl- phosphine)-rhenium(V)","","- C28 H23 Cl2 N3 O4 P Re -","- C28 H23 Cl2 N3 O4 P Re -","- C56 H46 Cl4 N6 O8 P2 Re2 -","2","1","","Zwettler, Niklas; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxorhenium(V) Complexes with Phenolate-Pyrazole Ligands for Olefin Epoxidation Using Hydrogen Peroxide.","Inorganic chemistry","2014","","","141202093837009","","10.1021/ic501794z","","","0.71073","MoKα","","0.0174","0.0164","","","0.0408","0.0413","","","","","","1.045","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341764","27.3037","0.0007","8.6888","0.0002","22.8645","0.0006","90","","116.293","0.001","90","","4863.1","0.2","100","2","100","2","","","","","","","synthetical product","6","C 1 2/c 1","-C 2yc","15","","chloro-bis(2-(1-methylpyrazol-3-yl)-4-nitro-phenolato-N,O)-oxo-rhenium(V) acetonitrile solvate","","- C22 H19 Cl N7 O7 Re -","- C22 H19 Cl N7 O7 Re -","- C176 H152 Cl8 N56 O56 Re8 -","8","1","","Zwettler, Niklas; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxorhenium(V) Complexes with Phenolate-Pyrazole Ligands for Olefin Epoxidation Using Hydrogen Peroxide.","Inorganic chemistry","2014","","","141202093837009","","10.1021/ic501794z","","","0.71073","MoKα","","0.0179","0.0155","","","0.0375","0.0388","","","","","","1.067","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341765","4.2251","0.0002","11.2208","0.0005","12.7992","0.0005","90","","90","","90","","606.8","0.05","295","","295","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba2 Ge11.01 -","- Ba2 Ge11.008 -","- Ba4 Ge22.016 -","2","0.125","","Akselrud, Lev; Wosylus, Aron; Castillo, Rodrigo; Aydemir, Umut; Prots, Yurii; Schnelle, Walter; Grin, Yuri; Schwarz, Ulrich","BaGe6 and BaGe6-x: Incommensurately Ordered Vacancies as Electron Traps.","Inorganic chemistry","2014","","","141126111906003","","10.1021/ic5021065","","","0.71073","MoKα","","","0.0342","","","","0","","","","","","1.01","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341766","29.5729","0.0008","11.2228","0.0003","12.7992","0.0003","90","","90","","90","","4247.94","0.19","295","","295","","","","","","","","","2","C m c 21","C 2c -2","36","","","","- Ba14 Ge78 -","- Ba14 Ge78 -","- Ba28 Ge156 -","2","0.25","","Akselrud, Lev; Wosylus, Aron; Castillo, Rodrigo; Aydemir, Umut; Prots, Yurii; Schnelle, Walter; Grin, Yuri; Schwarz, Ulrich","BaGe6 and BaGe6-x: Incommensurately Ordered Vacancies as Electron Traps.","Inorganic chemistry","2014","","","141126111906003","","10.1021/ic5021065","","","0.71073","MoKα","","","0.0386","","","","0.041","","","","","","1.01","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341767","8.3421","0.0008","4.8728","0.0005","13.7202","0.0009","90","","90","","90","","557.72","0.09","293","","293","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ba Ge5 -","- Ba Ge5 -","- Ba4 Ge20 -","4","0.25","","Akselrud, Lev; Wosylus, Aron; Castillo, Rodrigo; Aydemir, Umut; Prots, Yurii; Schnelle, Walter; Grin, Yuri; Schwarz, Ulrich","BaGe6 and BaGe6-x: Incommensurately Ordered Vacancies as Electron Traps.","Inorganic chemistry","2014","","","141126111906003","","10.1021/ic5021065","powder diffraction","x-ray","0.43046","synchrotron","","0.0126","0.0126","","0.0186","0.0186","","","","0.76","","","","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341768","4.769","0.0007","10.777","0.002","12.385","0.002","90","","90","","90","","636.53","0.18","293","","293","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba Ge6 -","- Ba Ge6 -","- Ba4 Ge24 -","4","0.25","","Akselrud, Lev; Wosylus, Aron; Castillo, Rodrigo; Aydemir, Umut; Prots, Yurii; Schnelle, Walter; Grin, Yuri; Schwarz, Ulrich","BaGe6 and BaGe6-x: Incommensurately Ordered Vacancies as Electron Traps.","Inorganic chemistry","2014","","","141126111906003","","10.1021/ic5021065","powder diffraction","x-ray","1.54051","","","0.0289","0.0286","","0.0477","0.0477","","","","3.45","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341769","9.8706","0.0004","14.4492","0.0006","15.7778","0.0006","90","","93.124","0.002","90","","2246.92","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cu N4 O9 S -","- C21 H20 Cu N4 O9 S -","- C84 H80 Cu4 N16 O36 S4 -","4","1","","Gerlach, Deidra L.; Bhagan, Salome; Cruce, Alex A.; Burks, Dalton B.; Nieto, Ismael; Truong, Hai T.; Kelley, Steven P.; Herbst-Gervasoni, Corey J; Jernigan, Katherine L.; Bowman, Michael K.; Pan, Shanlin; Zeller, Matthias; Papish, Elizabeth T.","Studies of the Pathways Open to Copper Water Oxidation Catalysts Containing Proximal Hydroxy Groups During Basic Electrocatalysis.","Inorganic chemistry","2014","","","141203162841007","","10.1021/ic501018a","","","0.71073","MoKα","","0.0592","0.0387","","","0.0805","0.0873","","","","","","1.03","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341770","19.4356","0.0008","7.8781","0.0003","15.6246","0.0006","90","","119.325","0.002","90","","2085.8","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cu N4 O6 -","- C22 H22 Cu N4 O6 -","- C88 H88 Cu4 N16 O24 -","4","0.5","","Gerlach, Deidra L.; Bhagan, Salome; Cruce, Alex A.; Burks, Dalton B.; Nieto, Ismael; Truong, Hai T.; Kelley, Steven P.; Herbst-Gervasoni, Corey J; Jernigan, Katherine L.; Bowman, Michael K.; Pan, Shanlin; Zeller, Matthias; Papish, Elizabeth T.","Studies of the Pathways Open to Copper Water Oxidation Catalysts Containing Proximal Hydroxy Groups During Basic Electrocatalysis.","Inorganic chemistry","2014","","","141203162841007","","10.1021/ic501018a","","","0.71073","MoKα","","0.0463","0.0337","","","0.0784","0.0829","","","","","","1.049","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4341771","10.8","0.004","11.765","0.004","12.475","0.005","67.278","0.005","74.688","0.005","77.286","0.005","1397.7","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Cu3 N14 O26 -","- C48 H48 Cu3 N14 O26 -","- C48 H48 Cu3 N14 O26 -","1","0.5","","Gerlach, Deidra L.; Bhagan, Salome; Cruce, Alex A.; Burks, Dalton B.; Nieto, Ismael; Truong, Hai T.; Kelley, Steven P.; Herbst-Gervasoni, Corey J; Jernigan, Katherine L.; Bowman, Michael K.; Pan, Shanlin; Zeller, Matthias; Papish, Elizabeth T.","Studies of the Pathways Open to Copper Water Oxidation Catalysts Containing Proximal Hydroxy Groups During Basic Electrocatalysis.","Inorganic chemistry","2014","","","141203162841007","","10.1021/ic501018a","","","0.71073","MoKα","","0.0538","0.0363","","","0.0827","0.0897","","","","","","1.042","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341772","7.4373","0.0003","12.624","0.0004","16.1475","0.0006","90","","90.709","0.002","90","","1515.95","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Cu N2 O7 S -","- C13 H16 Cu N2 O7 S -","- C52 H64 Cu4 N8 O28 S4 -","4","1","","Gerlach, Deidra L.; Bhagan, Salome; Cruce, Alex A.; Burks, Dalton B.; Nieto, Ismael; Truong, Hai T.; Kelley, Steven P.; Herbst-Gervasoni, Corey J; Jernigan, Katherine L.; Bowman, Michael K.; Pan, Shanlin; Zeller, Matthias; Papish, Elizabeth T.","Studies of the Pathways Open to Copper Water Oxidation Catalysts Containing Proximal Hydroxy Groups During Basic Electrocatalysis.","Inorganic chemistry","2014","","","141203162841007","","10.1021/ic501018a","","","0.71073","MoKα","","0.0453","0.0315","","","0.0697","0.0746","","","","","","1.045","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341773","9.754","0.003","13.84","0.004","13.883","0.004","114.647","0.004","101.039","0.004","103.183","0.004","1569.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Cl2 N7 O12 Zn -","- C26 H25 Cl2 N7 O12 Zn -","- C52 H50 Cl4 N14 O24 Zn2 -","2","1","","Gerlach, Deidra L.; Bhagan, Salome; Cruce, Alex A.; Burks, Dalton B.; Nieto, Ismael; Truong, Hai T.; Kelley, Steven P.; Herbst-Gervasoni, Corey J; Jernigan, Katherine L.; Bowman, Michael K.; Pan, Shanlin; Zeller, Matthias; Papish, Elizabeth T.","Studies of the Pathways Open to Copper Water Oxidation Catalysts Containing Proximal Hydroxy Groups During Basic Electrocatalysis.","Inorganic chemistry","2014","","","141203162841007","","10.1021/ic501018a","","","0.71073","MoKα","","0.0822","0.0414","","","0.09","0.1059","","","","","","1.007","","","","has coordinates,has disorder","179520","2020-10-21","18:00:00",""
"4341774","12.2812","0.0008","13.3854","0.0009","18.4188","0.0013","77.72","0.002","86.605","0.002","77.097","0.002","2883.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 F12 Fe N O5 -","- C26 H27 F12 Fe N O5 -","- C104 H108 F48 Fe4 N4 O20 -","4","2","","Pascualini, Matias E.; Di Russo, Natali V.; Quintero, Pedro A.; Thuijs, Annaliese E.; Pinkowicz, Dawid; Abboud, Khalil A.; Dunbar, Kim R.; Christou, George; Meisel, Mark W.; Veige, Adam S.","Synthesis, Characterization, and Reactivity of Iron(III) Complexes Supported by a Trianionic ONO(3-) Pincer Ligand.","Inorganic chemistry","2014","","","141124145829004","","10.1021/ic502251p","","","0.71073","MoKα","","0.0858","0.0372","","","0.0626","0.0705","","","","","","0.821","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341775","11.3312","0.0003","11.91","0.0003","17.0755","0.0005","104.924","0.002","102.833","0.002","103.035","0.002","2070.99","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 F12 Fe N3 O7 -","- C38 H42 F12 Fe N3 O7 -","- C76 H84 F24 Fe2 N6 O14 -","2","1","","Pascualini, Matias E.; Di Russo, Natali V.; Quintero, Pedro A.; Thuijs, Annaliese E.; Pinkowicz, Dawid; Abboud, Khalil A.; Dunbar, Kim R.; Christou, George; Meisel, Mark W.; Veige, Adam S.","Synthesis, Characterization, and Reactivity of Iron(III) Complexes Supported by a Trianionic ONO(3-) Pincer Ligand.","Inorganic chemistry","2014","","","141124145829004","","10.1021/ic502251p","","","0.71073","MoKα","","0.0556","0.038","","","0.0879","0.0942","","","","","","0.955","","","","has coordinates,has disorder","179520","2020-10-21","18:00:00",""
"4341776","13.5244","0.0006","15.9041","0.0007","14.1139","0.0006","90","","97.184","0.002","90","","3012","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 F12 Fe N3 O2 -","- C30 H20 F12 Fe N3 O2 -","- C120 H80 F48 Fe4 N12 O8 -","4","1","","Pascualini, Matias E.; Di Russo, Natali V.; Quintero, Pedro A.; Thuijs, Annaliese E.; Pinkowicz, Dawid; Abboud, Khalil A.; Dunbar, Kim R.; Christou, George; Meisel, Mark W.; Veige, Adam S.","Synthesis, Characterization, and Reactivity of Iron(III) Complexes Supported by a Trianionic ONO(3-) Pincer Ligand.","Inorganic chemistry","2014","","","141124145829004","","10.1021/ic502251p","","","0.71073","MoKα","","0.0391","0.0291","","","0.0774","0.0813","","","","","","1.071","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341777","11.3214","0.0005","18.4917","0.0008","11.9749","0.0005","90","","111.883","0.001","90","","2326.33","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H18 F12 N O2 -","- C22.5 H21 F12 N O2 -","- C90 H84 F48 N4 O8 -","4","1","","Pascualini, Matias E.; Di Russo, Natali V.; Quintero, Pedro A.; Thuijs, Annaliese E.; Pinkowicz, Dawid; Abboud, Khalil A.; Dunbar, Kim R.; Christou, George; Meisel, Mark W.; Veige, Adam S.","Synthesis, Characterization, and Reactivity of Iron(III) Complexes Supported by a Trianionic ONO(3-) Pincer Ligand.","Inorganic chemistry","2014","","","141124145829004","","10.1021/ic502251p","","","0.71073","MoKα","","0.0426","0.0348","","","0.0877","0.093","","","","","","0.941","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341778","31.3529","0.0012","12.6561","0.0005","27.3346","0.0011","90","","117.099","0.001","90","","9655.8","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46.5 H56 Cl2 F12 Fe Li2 N O6 -","- C36 H44 Cl2 F12 Fe Li2 N O6 -","- C288 H352 Cl16 F96 Fe8 Li16 N8 O48 -","8","1","","Pascualini, Matias E.; Di Russo, Natali V.; Quintero, Pedro A.; Thuijs, Annaliese E.; Pinkowicz, Dawid; Abboud, Khalil A.; Dunbar, Kim R.; Christou, George; Meisel, Mark W.; Veige, Adam S.","Synthesis, Characterization, and Reactivity of Iron(III) Complexes Supported by a Trianionic ONO(3-) Pincer Ligand.","Inorganic chemistry","2014","","","141124145829004","","10.1021/ic502251p","","","0.71073","MoKα","","0.0383","0.0312","","","0.0826","0.085","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341779","12.9305","0.0004","17.8735","0.0005","22.5628","0.0007","90","","105.223","0.002","90","","5031.6","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H78 K N3 O6 S2 Si6 U -","- C30 H78 K N3 O6 S2 Si6 U -","- C120 H312 K4 N12 O24 S8 Si24 U4 -","4","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Reversible Chalcogen-Atom Transfer to a Terminal Uranium Sulfide.","Inorganic chemistry","2014","","","141202142139009","","10.1021/ic502500z","","","0.71073","MoKα","","0.1043","0.0814","","","0.2018","0.2165","","","","","","1.053","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341780","11.2552","0.0013","12.9335","0.0015","20.934","0.003","98.456","0.002","96.945","0.002","110.308","0.002","2777.9","0.6","105","2","105","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H88 K N3 O7 S3 Si6 U -","- C34 H88 K N3 O7 S3 Si6 U -","- C68 H176 K2 N6 O14 S6 Si12 U2 -","2","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Reversible Chalcogen-Atom Transfer to a Terminal Uranium Sulfide.","Inorganic chemistry","2014","","","141202142139009","","10.1021/ic502500z","","","0.71073","MoKα","","0.0397","0.0345","","","0.0817","0.0853","","","","","","1.04","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341781","11.9285","0.0005","18.5061","0.0006","16.5489","0.0006","90","","107.769","0.002","90","","3478.9","0.2","101","2","101","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 K2 O12 S4 -","- C24 H48 K2 O12 S4 -","- C96 H192 K8 O48 S16 -","4","1","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Reversible Chalcogen-Atom Transfer to a Terminal Uranium Sulfide.","Inorganic chemistry","2014","","","141202142139009","","10.1021/ic502500z","","","0.71073","MoKα","","0.1151","0.0792","","","0.1891","0.2091","","","","","","1.124","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341782","13.163","0.0009","17.804","0.0012","22.4878","0.0014","90","","105.691","0.004","90","","5073.7","0.6","103","2","103","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C30 H78 K N3 O6 S Se Si6 U -","- C30 H78 K N3 O6 S Se Si6 U -","- C120 H312 K4 N12 O24 S4 Se4 Si24 U4 -","4","2","","Smiles, Danil E.; Wu, Guang; Hayton, Trevor W.","Reversible Chalcogen-Atom Transfer to a Terminal Uranium Sulfide.","Inorganic chemistry","2014","","","141202142139009","","10.1021/ic502500z","","","0.71073","MoKα","","0.0855","0.0537","","","0.1231","0.145","","","","","","0.851","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341783","16.4602","0.0008","18.1395","0.0009","25.8784","0.0013","90","","93.928","0.001","90","","7708.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16.5 H19 Cl3 Fe N4 O -","- C16.5 H19 Cl3 Fe N4 O -","- C264 H304 Cl48 Fe16 N64 O16 -","16","4","","Victor, Eric; Kim, Sunghee; Lippard, Stephen J.","Synthesis of Bis(imidazole) Metal Complexes and Their Use in Rapid NO Detection and Quantification Devices.","Inorganic chemistry","2014","","","141124151214003","","10.1021/ic501765g","","","0.71073","MoKα","","0.0385","0.0285","","","0.0736","0.0779","","","","","","1.457","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341784","10.2648","0.0006","14.0109","0.0008","13.2276","0.0007","90","","104.52","0.001","90","","1841.62","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl2 Fe N4 O -","- C16 H18 Cl2 Fe N4 O -","- C64 H72 Cl8 Fe4 N16 O4 -","4","1","","Victor, Eric; Kim, Sunghee; Lippard, Stephen J.","Synthesis of Bis(imidazole) Metal Complexes and Their Use in Rapid NO Detection and Quantification Devices.","Inorganic chemistry","2014","","","141124151214003","","10.1021/ic501765g","","","0.71073","MoKα","","0.0273","0.0235","","","0.0714","0.0729","","","","","","1.59","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341785","10.4191","0.0003","14.355","0.0003","13.3245","0.0003","90","","104.848","0.001","90","","1926.35","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Br2 Fe N4 O -","- C16 H18 Br2 Fe N4 O -","- C64 H72 Br8 Fe4 N16 O4 -","4","1","","Victor, Eric; Kim, Sunghee; Lippard, Stephen J.","Synthesis of Bis(imidazole) Metal Complexes and Their Use in Rapid NO Detection and Quantification Devices.","Inorganic chemistry","2014","","","141124151214003","","10.1021/ic501765g","","","0.71073","MoKα","","0.0219","0.0194","","","0.0513","0.0519","","","","","","1.76","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341786","10.246","0.0005","13.9051","0.0007","13.2175","0.0007","90","","104.362","0.001","90","","1824.27","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl2 Co N4 O -","- C16 H18 Cl2 Co N4 O -","- C64 H72 Cl8 Co4 N16 O4 -","4","1","","Victor, Eric; Kim, Sunghee; Lippard, Stephen J.","Synthesis of Bis(imidazole) Metal Complexes and Their Use in Rapid NO Detection and Quantification Devices.","Inorganic chemistry","2014","","","141124151214003","","10.1021/ic501765g","","","0.71073","MoKα","","0.0262","0.0231","","","0.0704","0.0718","","","","","","1.695","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341787","10.782","0.0019","13.322","0.002","14.14","0.003","90","","100.339","0.003","90","","1998.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Co I2 N4 O -","- C16 H18 Co I2 N4 O -","- C64 H72 Co4 I8 N16 O4 -","4","1","","Victor, Eric; Kim, Sunghee; Lippard, Stephen J.","Synthesis of Bis(imidazole) Metal Complexes and Their Use in Rapid NO Detection and Quantification Devices.","Inorganic chemistry","2014","","","141124151214003","","10.1021/ic501765g","","","0.71073","MoKα","","0.0486","0.0327","","","0.0505","0.0521","","","","","","1.627","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341788","17.7234","0.0006","12.4526","0.0004","20.6292","0.0007","90","","110.473","0.001","90","","4265.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26.4 H30.4 Cl4.8 Fe1.6 N8 O3.2 -","- C26.4 H30.4 Cl4.8 Fe1.6 N8 O3.2 -","- C132 H152 Cl24 Fe8 N40 O16 -","5","1.25","","Victor, Eric; Kim, Sunghee; Lippard, Stephen J.","Synthesis of Bis(imidazole) Metal Complexes and Their Use in Rapid NO Detection and Quantification Devices.","Inorganic chemistry","2014","","","141124151214003","","10.1021/ic501765g","","","0.71073","MoKα","","0.0892","0.065","","","0.1851","0.1999","","","","","","1.689","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341789","9.5406","0.0003","13.6635","0.0005","17.0781","0.0006","90","","93.363","0.001","90","","2222.43","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 Cl4 Fe2 N12 O14 -","- C33 H38 Cl4 Fe2 N12 O14 -","- C66 H76 Cl8 Fe4 N24 O28 -","2","0.5","","Victor, Eric; Kim, Sunghee; Lippard, Stephen J.","Synthesis of Bis(imidazole) Metal Complexes and Their Use in Rapid NO Detection and Quantification Devices.","Inorganic chemistry","2014","","","141124151214003","","10.1021/ic501765g","","","0.71073","MoKα","","0.0397","0.0368","","","0.1309","0.1329","","","","","","2.102","","","","has coordinates,has disorder","179520","2020-10-21","18:00:00",""
"4341790","15.327","0.0006","10.6612","0.0004","24.0172","0.0009","90","","101.175","0.001","90","","3850.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Co N6 O7 -","- C16 H18 Co N6 O7 -","- C128 H144 Co8 N48 O56 -","8","1","","Victor, Eric; Kim, Sunghee; Lippard, Stephen J.","Synthesis of Bis(imidazole) Metal Complexes and Their Use in Rapid NO Detection and Quantification Devices.","Inorganic chemistry","2014","","","141124151214003","","10.1021/ic501765g","","","0.71073","MoKα","","0.0413","0.0304","","","0.0756","0.0804","","","","","","1.353","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341791","12.1633","0.0002","16.1571","0.0002","20.5034","0.0004","90","","100.723","0.0015","90","","3959.05","0.11","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 F12 N9 O P2 Ru -","- C37 H30 F12 N9 O P2 Ru -","- C148 H120 F48 N36 O4 P8 Ru4 -","4","1","","Jarenmark, Martin; Fredin, Lisa A.; Hedberg, Joachim H. J.; Doverbratt, Isa; Persson, Petter; Abrahamsson, Maria","A Homoleptic Trisbidentate Ru(II) Complex of a Novel Bidentate Biheteroaromatic Ligand Based on Quinoline and Pyrazole Groups: Structural, Electrochemical, Photophysical, and Computational Characterization.","Inorganic chemistry","2014","","","141124111710000","","10.1021/ic502432c","","x-ray","0.7107","MoKα","","0.1236","0.0613","","","0.1216","0.1315","","","","2.52","2.52","1.99","","","","has coordinates","288070","2023-12-06","12:53:49",""
"4341792","36.482","0.003","27.585","0.002","25.201","0.003","90","","133.061","0.001","90","","18530","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H75 B4 F16 Fe4 N21 O -","- C78 H75 B4 F16 Fe4 N21 O -","- C624 H600 B32 F128 Fe32 N168 O8 -","8","1","","Hietsoi, Oleksandr; Dunk, Paul W.; Stout, Heather D.; Arroyave, Alejandra; Kovnir, Kirill; Irons, Raechel E.; Kassenova, Nazira; Erkasov, Rakhmetulla; Achim, Catalina; Shatruk, Michael","Spin Crossover in Tetranuclear Fe(II) Complexes, {[(tpma)Fe(μ-CN)]4}X4 (X = ClO4(-), BF4(-)).","Inorganic chemistry","2014","","","141202143346008","","10.1021/ic502215h","","","0.71073","MoKα","","0.1005","0.0762","","","0.2277","0.2493","","","","","","1.061","","","","has coordinates,has disorder","179520","2020-10-21","18:00:00",""
"4341793","36.995","0.005","27.796","0.004","25.479","0.006","90","","133.253","0.001","90","","19083","6","209","2","209","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C77.5 H73.5 B4 F16 Fe4 N20.75 O -","- C77.5 H74.25 B4 F16 Fe4 N20.75 O -","- C620 H594 B32 F128 Fe32 N166 O8 -","8","1","","Hietsoi, Oleksandr; Dunk, Paul W.; Stout, Heather D.; Arroyave, Alejandra; Kovnir, Kirill; Irons, Raechel E.; Kassenova, Nazira; Erkasov, Rakhmetulla; Achim, Catalina; Shatruk, Michael","Spin Crossover in Tetranuclear Fe(II) Complexes, {[(tpma)Fe(μ-CN)]4}X4 (X = ClO4(-), BF4(-)).","Inorganic chemistry","2014","","","141202143346008","","10.1021/ic502215h","","","0.71073","MoKα","","0.122","0.0916","","","0.2795","0.3112","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341794","17.774","0.002","26.125","0.004","17.139","0.002","90","","90","","90","","7958.4","1.8","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C84 H76 Ca Mn4 N6 O20 -","- C84 H44 Ca Mn4 N6 O20 -","- C336 H176 Ca4 Mn16 N24 O80 -","4","0.5","","Alaimo, Alysha A.; Takahashi, Daisuke; Cunha-Silva, Luís; Christou, George; Stamatatos, Theocharis C.","Emissive {Mn4IIICa} Clusters with Square Pyramidal Topologies: Syntheses and Structural, Spectroscopic, and Physicochemical Characterization","Inorganic chemistry","2014","54","5","2137","","10.1021/ic502492x","","","0.71073","MoKα","","0.1887","0.1554","","","0.4217","0.4436","","","","","","1.827","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341795","21.8722","0.0019","19.2417","0.0016","26.024","0.002","90","","91.153","0.004","90","","10950.2","1.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H92 Ca Cl8 Mn4 N6 O20 -","- C104 H76 Ca Cl8 Mn4 N6 O20 -","- C416 H304 Ca4 Cl32 Mn16 N24 O80 -","4","1","","Alaimo, Alysha A.; Takahashi, Daisuke; Cunha-Silva, Luís; Christou, George; Stamatatos, Theocharis C.","Emissive {Mn4IIICa} Clusters with Square Pyramidal Topologies: Syntheses and Structural, Spectroscopic, and Physicochemical Characterization","Inorganic chemistry","2014","54","5","2137","","10.1021/ic502492x","","","0.71073","MoKα","","0.1131","0.0925","","","0.237","0.2507","","","","","","1.062","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341796","14.7076","0.0012","29.524","0.002","31.846","0.002","90","","101.206","0.003","90","","13564.8","1.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C134 H148 Ca Cl5 Mn4 N11 O30 -","- C134 H132 Ca Cl5 Mn4 N11 O30 -","- C536 H528 Ca4 Cl20 Mn16 N44 O120 -","4","1","","Alaimo, Alysha A.; Takahashi, Daisuke; Cunha-Silva, Luís; Christou, George; Stamatatos, Theocharis C.","Emissive {Mn4IIICa} Clusters with Square Pyramidal Topologies: Syntheses and Structural, Spectroscopic, and Physicochemical Characterization","Inorganic chemistry","2014","54","5","2137","","10.1021/ic502492x","","","0.71073","MoKα","","0.1268","0.0969","","","0.1991","0.2133","","","","","","1.096","","","","has coordinates,has disorder","179520","2020-10-21","18:00:00",""
"4341797","16.5865","0.0002","17.456","0.0002","19.3789","0.0003","110.62","0.001","94.871","0.001","94.214","0.001","5200.18","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C226 H188 Ca2 Cl20 Mn8 N12 O40 -","- C226 H188 Ca2 Cl20 Mn8 N12 O40 -","- C226 H188 Ca2 Cl20 Mn8 N12 O40 -","1","0.5","","Alaimo, Alysha A.; Takahashi, Daisuke; Cunha-Silva, Luís; Christou, George; Stamatatos, Theocharis C.","Emissive {Mn4IIICa} Clusters with Square Pyramidal Topologies: Syntheses and Structural, Spectroscopic, and Physicochemical Characterization","Inorganic chemistry","2014","54","5","2137","","10.1021/ic502492x","","","0.68239","","","0.0816","0.0784","","","0.2322","0.2362","","","","","","1.02","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341798","11.1023","0.0006","16.3529","0.0009","19.2998","0.0011","90","","95.38","0.003","90","","3488.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 F6 N6 O6 Pd S2 -","- C28 H38 F6 N6 O6 Pd S2 -","- C112 H152 F24 N24 O24 Pd4 S8 -","4","1","","Khusnutdinova, Julia R.; Rath, Nigam P.; Mirica, Liviu M.","The Conformational Flexibility of the Tetradentate Ligand (tBu)N4 is Essential for the Stabilization of ((tBu)N4)Pd(III) Complexes.","Inorganic chemistry","2014","","","141126065928000","","10.1021/ic5023054","","","0.71073","MoKα","","0.0465","0.0369","","","0.0865","0.0904","","","","","","1.164","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341799","13.0607","0.001","14.1701","0.0011","21.3592","0.0015","89.532","0.004","84.959","0.004","88.827","0.004","3936.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H39 F9 N6 O9 Pd S3 -","- C29 H39 F9 N6 O9 Pd S3 -","- C116 H156 F36 N24 O36 Pd4 S12 -","4","2","","Khusnutdinova, Julia R.; Rath, Nigam P.; Mirica, Liviu M.","The Conformational Flexibility of the Tetradentate Ligand (tBu)N4 is Essential for the Stabilization of ((tBu)N4)Pd(III) Complexes.","Inorganic chemistry","2014","","","141126065928000","","10.1021/ic5023054","","","0.71073","MoKα","","0.1072","0.0846","","","0.2208","0.2359","","","","","","1.083","","","","has coordinates,has disorder","179520","2020-10-21","18:00:00",""
"4341800","18.9253","0.0009","9.2861","0.0005","12.7839","0.0007","90","","90","","90","","2246.7","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H32 Cl2 N4 Pd -","- C22 H32 Cl2 N4 Pd -","- C88 H128 Cl8 N16 Pd4 -","4","1","","Khusnutdinova, Julia R.; Rath, Nigam P.; Mirica, Liviu M.","The Conformational Flexibility of the Tetradentate Ligand (tBu)N4 is Essential for the Stabilization of ((tBu)N4)Pd(III) Complexes.","Inorganic chemistry","2014","","","141126065928000","","10.1021/ic5023054","","","0.71073","MoKα","","0.0514","0.0357","","","0.0617","0.0668","","","","","","0.988","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341801","13.6859","0.0008","13.3134","0.0008","30.043","0.0018","90","","90","","90","","5474","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H35 Cl3 N5 O4 Pd -","- C24 H35 Cl3 N5 O4 Pd -","- C192 H280 Cl24 N40 O32 Pd8 -","8","1","","Khusnutdinova, Julia R.; Rath, Nigam P.; Mirica, Liviu M.","The Conformational Flexibility of the Tetradentate Ligand (tBu)N4 is Essential for the Stabilization of ((tBu)N4)Pd(III) Complexes.","Inorganic chemistry","2014","","","141126065928000","","10.1021/ic5023054","","","0.71073","MoKα","","0.0482","0.0269","","","0.0534","0.0627","","","","","","1.053","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341802","12.2077","0.0012","12.2938","0.0011","14.1372","0.0013","75.468","0.005","69.826","0.006","62.897","0.005","1761.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H84 F12 N12 O13 Pd2 S4 -","- C58 H82 F12 N12 O13 Pd2 S4 -","- C58 H82 F12 N12 O13 Pd2 S4 -","1","0.5","","Khusnutdinova, Julia R.; Rath, Nigam P.; Mirica, Liviu M.","The Conformational Flexibility of the Tetradentate Ligand (tBu)N4 is Essential for the Stabilization of ((tBu)N4)Pd(III) Complexes.","Inorganic chemistry","2014","","","141126065928000","","10.1021/ic5023054","","","0.71073","MoKα","","0.0661","0.0435","","","0.0923","0.1014","","","","","","1.019","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4341803","14.8378","0.0008","11.689","0.0007","14.2078","0.0008","90","","111.784","0.002","90","","2288.2","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H35 Cl N4 Pd -","- C23 H35 Cl N4 Pd -","- C92 H140 Cl4 N16 Pd4 -","4","0.5","","Khusnutdinova, Julia R.; Rath, Nigam P.; Mirica, Liviu M.","The Conformational Flexibility of the Tetradentate Ligand (tBu)N4 is Essential for the Stabilization of ((tBu)N4)Pd(III) Complexes.","Inorganic chemistry","2014","","","141126065928000","","10.1021/ic5023054","","","0.71073","MoKα","","0.0278","0.0233","","","0.0592","0.0607","","","","","","1.181","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4341804","11.9248","0.0017","13.2788","0.0019","16.859","0.002","93.849","0.012","93.549","0.011","105.653","0.013","2555.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H76 Cd6 N30 O39 -","- C74 H76 Cd6 N30 O39 -","- C74 H76 Cd6 N30 O39 -","1","0.5","","Jiang, Xiu-Juan; Li, Min; Lu, Hong-Lin; Xu, Lin-Hua; Xu, Hong; Zang, Shuang-Quan; Tang, Ming-Sheng; Hou, Hong-Wei; Mak, Thomas C. W.","A Highly Sensitive C3-Symmetric Schiff-Base Fluorescent Probe for Cd(2+)","Inorganic chemistry","2014","","","141202101910005","","10.1021/ic501279y","","","0.71073","MoKα","","0.2693","0.1136","","","0.1953","0.2512","","","","","","1.012","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341805","8.6772","0.0007","11.0715","0.0008","11.6911","0.001","104.675","0.007","98.57","0.007","97.19","0.008","1058.69","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 Co N2 O4 -","- C40 H50 Co N2 O4 -","- C40 H50 Co N2 O4 -","1","0.5","","Chen, Xiang-Yi; Wei, Rong-Jia; Zheng, Lan-Sun; Tao, Jun","Valence Tautomeric Transitions of Three One-Dimensional Cobalt Complexes.","Inorganic chemistry","2014","","","141125084744006","","10.1021/ic502471v","","","1.54184","CuKα","","0.0824","0.0651","","","0.1434","0.1519","","","","","","0.948","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341806","8.7618","0.0012","11.1934","0.0008","11.7919","0.0008","104.578","0.006","98.186","0.009","97.789","0.008","1089.98","0.19","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 Co N2 O4 -","- C40 H50 Co N2 O4 -","- C40 H50 Co N2 O4 -","1","0.5","","Chen, Xiang-Yi; Wei, Rong-Jia; Zheng, Lan-Sun; Tao, Jun","Valence Tautomeric Transitions of Three One-Dimensional Cobalt Complexes.","Inorganic chemistry","2014","","","141125084744006","","10.1021/ic502471v","","","1.54184","CuKα","","0.1232","0.1051","","","0.1856","0.1999","","","","","","1.017","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341807","8.7027","0.0008","11.104","0.0009","11.7255","0.0011","104.665","0.007","98.56","0.008","97.2","0.007","1068.11","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 Co N4 O6 -","- C44 H60 Co N4 O6 -","- C44 H60 Co N4 O6 -","1","0.5","","Chen, Xiang-Yi; Wei, Rong-Jia; Zheng, Lan-Sun; Tao, Jun","Valence Tautomeric Transitions of Three One-Dimensional Cobalt Complexes.","Inorganic chemistry","2014","","","141125084744006","","10.1021/ic502471v","","","1.54184","CuKα","","0.0623","0.0459","","","0.1313","0.1438","","","","","","0.889","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341808","8.7245","0.0011","11.1242","0.0007","11.7352","0.0009","104.632","0.005","98.382","0.007","97.482","0.006","1073.5","0.18","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 Co N4 O6 -","- C44 H56 Co N4 O6 -","- C44 H56 Co N4 O6 -","1","0.5","","Chen, Xiang-Yi; Wei, Rong-Jia; Zheng, Lan-Sun; Tao, Jun","Valence Tautomeric Transitions of Three One-Dimensional Cobalt Complexes.","Inorganic chemistry","2014","","","141125084744006","","10.1021/ic502471v","","","1.5418","CuKα","","0.0885","0.0702","","","0.1726","0.1915","","","","","","1.043","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341809","8.565","0.001","11.039","0.002","11.651","0.003","103.256","0.006","97.143","0.005","99.588","0.006","1042","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 Co N4 O4 -","- C38 H48 Co N4 O4 -","- C38 H48 Co N4 O4 -","1","0.5","","Chen, Xiang-Yi; Wei, Rong-Jia; Zheng, Lan-Sun; Tao, Jun","Valence Tautomeric Transitions of Three One-Dimensional Cobalt Complexes.","Inorganic chemistry","2014","","","141125084744006","","10.1021/ic502471v","","","1.54184","CuKα","","0.1514","0.0823","","","0.2121","0.2442","","","","","","1","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341810","8.6922","0.0005","11.1186","0.0006","11.8325","0.0009","103.138","0.006","96.916","0.006","100.204","0.005","1080.49","0.13","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 Co N4 O4 -","- C38 H48 Co N4 O4 -","- C38 H48 Co N4 O4 -","1","0.5","","Chen, Xiang-Yi; Wei, Rong-Jia; Zheng, Lan-Sun; Tao, Jun","Valence Tautomeric Transitions of Three One-Dimensional Cobalt Complexes.","Inorganic chemistry","2014","","","141125084744006","","10.1021/ic502471v","","","1.5418","CuKα","","0.1502","0.0872","","","0.213","0.2405","","","","","","1.043","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341811","8.5902","0.0015","11.072","0.002","11.686","0.002","103.247","0.006","97.139","0.006","99.591","0.005","1051.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H58 Co N6 O6 -","- C42 H58 Co N6 O6 -","- C42 H58 Co N6 O6 -","1","0.5","","Chen, Xiang-Yi; Wei, Rong-Jia; Zheng, Lan-Sun; Tao, Jun","Valence Tautomeric Transitions of Three One-Dimensional Cobalt Complexes.","Inorganic chemistry","2014","","","141125084744006","","10.1021/ic502471v","","","1.54184","CuKα","","0.1484","0.0683","","","0.1657","0.2133","","","","","","0.914","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341812","8.6043","0.0006","11.1246","0.0005","11.7325","0.0008","103.208","0.005","96.996","0.006","100.004","0.005","1061.31","0.12","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H58 Co N6 O6 -","- C42 H54 Co N6 O6 -","- C42 H54 Co N6 O6 -","1","0.5","","Chen, Xiang-Yi; Wei, Rong-Jia; Zheng, Lan-Sun; Tao, Jun","Valence Tautomeric Transitions of Three One-Dimensional Cobalt Complexes.","Inorganic chemistry","2014","","","141125084744006","","10.1021/ic502471v","","","1.5418","CuKα","","0.0755","0.0616","","","0.1561","0.1704","","","","","","1.012","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341813","15.1825","0.0012","15.234","0.0011","16.6588","0.0014","101.638","0.007","96.941","0.007","101.291","0.006","3648.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H52 Co N2 O4 -","- C44 H52 Co N2 O4 -","- C132 H156 Co3 N6 O12 -","3","1.5","","Chen, Xiang-Yi; Wei, Rong-Jia; Zheng, Lan-Sun; Tao, Jun","Valence Tautomeric Transitions of Three One-Dimensional Cobalt Complexes.","Inorganic chemistry","2014","","","141125084744006","","10.1021/ic502471v","","","1.54184","CuKα","","0.1559","0.0982","","","0.2482","0.2785","","","","","","1.024","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341814","15.2442","0.0015","15.2808","0.0008","16.9964","0.001","100.843","0.005","99.057","0.008","100.687","0.007","3744.4","0.5","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H52 Co N2 O4 -","- C44 H52 Co N2 O4 -","- C132 H156 Co3 N6 O12 -","3","1.5","","Chen, Xiang-Yi; Wei, Rong-Jia; Zheng, Lan-Sun; Tao, Jun","Valence Tautomeric Transitions of Three One-Dimensional Cobalt Complexes.","Inorganic chemistry","2014","","","141125084744006","","10.1021/ic502471v","","","1.54184","CuKα","","0.1485","0.0944","","","0.2372","0.2625","","","","","","1.07","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341815","20.931","0.0009","10.3138","0.0004","12.3702","0.0005","90","","124.115","0.001","90","","2210.91","0.16","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C48 H40 Ag Br N2 P6 -","- C48 H40 Ag Br N2 P6 -","- C96 H80 Ag2 Br2 N4 P12 -","2","0.5","","Kosnik, Stephanie C.; Farrar, Gregory J.; Norton, Erin L.; Cooper, Benjamin F. T.; Ellis, Bobby D.; Macdonald, Charles L. B.","Low-Valent Chemistry: An Alternative Approach to Phosphorus-Containing Oligomers.","Inorganic chemistry","2014","","","141201074418004","","10.1021/ic502229w","","","0.71073","MoKα","","0.0392","0.0323","","","0.0669","0.0697","","","","","","1.031","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341816","12.6149","0.0011","13.2909","0.0012","17.621","0.0016","86.029","0.001","74.735","0.001","83.91","0.001","2831.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C61.26 H54.17 O0.81 P6 -","- C61.268 H54.17 O0.817 P6 -","- C122.536 H108.34 O1.634 P12 -","2","1","","Kosnik, Stephanie C.; Farrar, Gregory J.; Norton, Erin L.; Cooper, Benjamin F. T.; Ellis, Bobby D.; Macdonald, Charles L. B.","Low-Valent Chemistry: An Alternative Approach to Phosphorus-Containing Oligomers.","Inorganic chemistry","2014","","","141201074418004","","10.1021/ic502229w","","","0.71073","MoKα","","0.1481","0.1055","","","0.2217","0.2427","","","","","","1.07","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341817","21.2636","0.0018","10.1246","0.0007","15.184","0.0012","90","","133.915","0.005","90","","2354.8","0.4","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C49 H42 Br Cl2 Cu N2 P6 -","- C49 H42 Br Cl2 Cu N2 P6 -","- C98 H84 Br2 Cl4 Cu2 N4 P12 -","2","0.5","","Kosnik, Stephanie C.; Farrar, Gregory J.; Norton, Erin L.; Cooper, Benjamin F. T.; Ellis, Bobby D.; Macdonald, Charles L. B.","Low-Valent Chemistry: An Alternative Approach to Phosphorus-Containing Oligomers.","Inorganic chemistry","2014","","","141201074418004","","10.1021/ic502229w","","","0.71073","MoKα","","0.0503","0.0472","","","0.127","0.1302","","","","","","1.032","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341818","15.4287","0.0013","13.3702","0.0012","17.2421","0.0015","90","","109.482","0.001","90","","3353.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 N2 P8 -","- C24 H56 N2 P8 -","- C96 H224 N8 P32 -","4","1","","Kosnik, Stephanie C.; Farrar, Gregory J.; Norton, Erin L.; Cooper, Benjamin F. T.; Ellis, Bobby D.; Macdonald, Charles L. B.","Low-Valent Chemistry: An Alternative Approach to Phosphorus-Containing Oligomers.","Inorganic chemistry","2014","","","141201074418004","","10.1021/ic502229w","","","0.71073","MoKα","","0.0499","0.0399","","","0.0903","0.0966","","","","","","1.103","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341819","12.153","0.002","9.3574","0.0016","20.114","0.003","90","","90.115","0.002","90","","2287.4","0.6","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C49 H42 Cl2 N2 P6 -","- C49 H42 Cl2 N2 P6 -","- C98 H84 Cl4 N4 P12 -","2","0.5","","Kosnik, Stephanie C.; Farrar, Gregory J.; Norton, Erin L.; Cooper, Benjamin F. T.; Ellis, Bobby D.; Macdonald, Charles L. B.","Low-Valent Chemistry: An Alternative Approach to Phosphorus-Containing Oligomers.","Inorganic chemistry","2014","","","141201074418004","","10.1021/ic502229w","","","0.71073","MoKα","","0.0434","0.0392","","","0.095","0.0978","","","","","","1.083","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341820","8.8331","0.0007","11.4721","0.001","12.3802","0.001","74.988","0.001","72.738","0.001","80.527","0.001","1151.9","0.16","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H46 P6 -","- C58 H46 P6 -","- C58 H46 P6 -","1","0.5","","Kosnik, Stephanie C.; Farrar, Gregory J.; Norton, Erin L.; Cooper, Benjamin F. T.; Ellis, Bobby D.; Macdonald, Charles L. B.","Low-Valent Chemistry: An Alternative Approach to Phosphorus-Containing Oligomers.","Inorganic chemistry","2014","","","141201074418004","","10.1021/ic502229w","","","0.71073","MoKα","","0.0749","0.0565","","","0.1433","0.1764","","","","","","1.21","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341821","9.758","0.011","6.931","0.008","11.862","0.013","90","","91.785","0.013","90","","801.9","1.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B F2 K O -","- B F2 K O -","- B12 F24 K12 O12 -","12","3","","Wu, Hongping; Yu, Hongwei; Bian, Qiang; Yang, Zhihua; Han, Shujuan; Pan, Shilie","Borate Fluoride and Fluoroborate in Alkali-Metal Borate Prepared by an Open High-Temperature Solution Method.","Inorganic chemistry","2014","","","141201120741005","","10.1021/ic502625b","","","0.71073","MoKα","","0.0588","0.0542","","","0.1483","0.1508","","","","","","1.142","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341822","8.414","0.013","15.96","0.02","5.081","0.008","90","","90","","90","","682.3","1.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- B2 F Li6 O6 Rb -","- B2 F Li6 O6 Rb -","- B8 F4 Li24 O24 Rb4 -","4","0.5","","Wu, Hongping; Yu, Hongwei; Bian, Qiang; Yang, Zhihua; Han, Shujuan; Pan, Shilie","Borate Fluoride and Fluoroborate in Alkali-Metal Borate Prepared by an Open High-Temperature Solution Method.","Inorganic chemistry","2014","","","141201120741005","","10.1021/ic502625b","","","0.71073","MoKα","","0.0811","0.0433","","","0.1061","0.1243","","","","","","1.012","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341823","13.2293","0.0008","13.8571","0.0008","21.5246","0.0012","82.306","0.003","73.106","0.003","63.583","0.003","3381.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H92 B2 Co N4 P2 -","- C77 H92 B2 Co N4 P2 -","- C154 H184 B4 Co2 N8 P4 -","2","1","","Shaffer, David W.; Johnson, Samantha I.; Rheingold, Arnold L.; Ziller, Joseph W.; Goddard, 3rd, William A; Nielsen, Robert J.; Yang, Jenny Y.","Reactivity of a Series of Isostructural Cobalt Pincer Complexes with CO2, CO, and H(+)","Inorganic chemistry","2014","","","141203160549001","","10.1021/ic5021725","","","0.71073","MoKα","","0.064","0.0418","","","0.0897","0.0987","","","","","","1.041","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341824","31.694","0.006","9.9983","0.0019","19.793","0.004","90","","94.329","0.004","90","","6254","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H46 B2 Co F8 N2 P2 -","- C25 H46 B2 Co F8 N2 P2 -","- C200 H368 B16 Co8 F64 N16 P16 -","8","1","","Shaffer, David W.; Johnson, Samantha I.; Rheingold, Arnold L.; Ziller, Joseph W.; Goddard, 3rd, William A; Nielsen, Robert J.; Yang, Jenny Y.","Reactivity of a Series of Isostructural Cobalt Pincer Complexes with CO2, CO, and H(+)","Inorganic chemistry","2014","","","141203160549001","","10.1021/ic5021725","","","0.71073","MoKα","","0.0317","0.0263","","","0.0639","0.0667","","","","","","1.02","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341825","12.0102","0.0004","25.2799","0.0009","13.106","0.0005","90","","114.617","0.001","90","","3617.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H50 B2 Co F8 N6 P2 -","- C27 H50 B2 Co F8 N6 P2 -","- C108 H200 B8 Co4 F32 N24 P8 -","4","1","","Shaffer, David W.; Johnson, Samantha I.; Rheingold, Arnold L.; Ziller, Joseph W.; Goddard, 3rd, William A; Nielsen, Robert J.; Yang, Jenny Y.","Reactivity of a Series of Isostructural Cobalt Pincer Complexes with CO2, CO, and H(+)","Inorganic chemistry","2014","","","141203160549001","","10.1021/ic5021725","","","0.71073","MoKα","","0.0378","0.0287","","","0.0694","0.072","","","","","","1.037","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341826","11.9513","0.0018","15.225","0.002","32.953","0.005","90.5946","0.0019","93.9705","0.0017","90.0638","0.0017","5981.4","1.5","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H46 B Co F4 N P2 -","- C26 H46 B Co F4 N P2 -","- C208 H368 B8 Co8 F32 N8 P16 -","8","4","","Shaffer, David W.; Johnson, Samantha I.; Rheingold, Arnold L.; Ziller, Joseph W.; Goddard, 3rd, William A; Nielsen, Robert J.; Yang, Jenny Y.","Reactivity of a Series of Isostructural Cobalt Pincer Complexes with CO2, CO, and H(+)","Inorganic chemistry","2014","","","141203160549001","","10.1021/ic5021725","","","0.71073","MoKα","","0.1642","0.112","","","0.2783","0.3216","","","","","","1.05","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341827","16.299","0.002","21.997","0.003","32.508","0.004","90","","90","","90","","11655","3","88","2","88","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C23 H44 B Co F4 N4 P2 -","- C23 H44 B Co F4 N4 P2 -","- C368 H704 B16 Co16 F64 N64 P32 -","16","2","","Shaffer, David W.; Johnson, Samantha I.; Rheingold, Arnold L.; Ziller, Joseph W.; Goddard, 3rd, William A; Nielsen, Robert J.; Yang, Jenny Y.","Reactivity of a Series of Isostructural Cobalt Pincer Complexes with CO2, CO, and H(+)","Inorganic chemistry","2014","","","141203160549001","","10.1021/ic5021725","","","0.71073","MoKα","","0.0684","0.0508","","","0.1312","0.1452","","","","","","1.025","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4341828","20.7645","0.0014","20.7997","0.0014","34.591","0.002","76.443","0.001","80.917","0.001","80.419","0.001","14210.3","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","U28Mo4P12","","","- Mo4 O211 P12 U28 -","- Mo4 O211 P12 U28 -","- Mo8 O422 P24 U56 -","2","1","","Ling, Jie; Hobbs, Franklin; Prendergast, Steven; Adelani, Pius O.; Babo, Jean-Marie; Qiu, Jie; Weng, Zhehui; Burns, Peter C.","Hybrid Uranium-Transition-Metal Oxide Cage Clusters.","Inorganic chemistry","2014","","","141201075026001","","10.1021/ic5018449","","","0.71073","MoKα","","0.0941","0.061","","","0.1657","0.1851","","","","","","1.024","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4341829","22.66","0.004","26.287","0.005","39.993","0.007","72.184","0.003","88.286","0.003","68.547","0.002","21018","7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","U50W6P21","","","- O331 P21 U50 W6 -","- O331 P21 U50 W6 -","- O662 P42 U100 W12 -","2","1","","Ling, Jie; Hobbs, Franklin; Prendergast, Steven; Adelani, Pius O.; Babo, Jean-Marie; Qiu, Jie; Weng, Zhehui; Burns, Peter C.","Hybrid Uranium-Transition-Metal Oxide Cage Clusters.","Inorganic chemistry","2014","","","141201075026001","","10.1021/ic5018449","","","0.71073","MoKα","","0.1584","0.0864","","","0.213","0.2593","","","","","","1.028","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4341830","29.632","0.003","29.632","0.003","34.132","0.004","90","","90","","90","","29970","6","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","U48W6P48","","","- O430 P48 U48 W6 -","- O430 P48 U48 W6 -","- O860 P96 U96 W12 -","2","0.25","","Ling, Jie; Hobbs, Franklin; Prendergast, Steven; Adelani, Pius O.; Babo, Jean-Marie; Qiu, Jie; Weng, Zhehui; Burns, Peter C.","Hybrid Uranium-Transition-Metal Oxide Cage Clusters.","Inorganic chemistry","2014","","","141201075026001","","10.1021/ic5018449","","","0.71073","MoKα","","0.1189","0.094","","","0.2223","0.2424","","","","","","1.093","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4341831","29.395","0.002","25.5532","0.0019","27.939","0.002","90","","90","","90","","20986","3","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","U44Mo2P16","","","- Mo2 O266 P16 U44 -","- Mo2 O266 P16 U44 -","- Mo4 O532 P32 U88 -","2","0.5","","Ling, Jie; Hobbs, Franklin; Prendergast, Steven; Adelani, Pius O.; Babo, Jean-Marie; Qiu, Jie; Weng, Zhehui; Burns, Peter C.","Hybrid Uranium-Transition-Metal Oxide Cage Clusters.","Inorganic chemistry","2014","","","141201075026001","","10.1021/ic5018449","","","0.71073","MoKα","","0.07","0.0558","","","0.1522","0.1635","","","","","","1.093","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4341832","26.272","0.003","26.272","0.003","21.354","0.002","90","","90","","120","","12764","2","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","U18W2P6","","","- O129 P12 U18 W2 -","- O129 P12 U18 W2 -","- O258 P24 U36 W4 -","2","0.0833333","","Ling, Jie; Hobbs, Franklin; Prendergast, Steven; Adelani, Pius O.; Babo, Jean-Marie; Qiu, Jie; Weng, Zhehui; Burns, Peter C.","Hybrid Uranium-Transition-Metal Oxide Cage Clusters.","Inorganic chemistry","2014","","","141201075026001","","10.1021/ic5018449","","","0.71073","MoKα","","0.0686","0.0601","","","0.1609","0.1663","","","","","","1.088","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4341833","13.344","0.002","13.66","0.002","15.014","0.002","80.08","0.003","70.457","0.004","89.379","0.003","2537.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H150 N12 O6 U2 -","- C108 H150 N12 O6 U2 -","- C108 H150 N12 O6 U2 -","1","0.5","","Schmidt, Anna-Corina; Heinemann, Frank W.; Maron, Laurent; Meyer, Karsten","A Series of Uranium (IV, V, VI) Tritylimido Complexes, Their Molecular and Electronic Structures and Reactivity with CO2.","Inorganic chemistry","2014","","","141126065822007","","10.1021/ic5023517","","","0.71073","MoKα","","0.0263","0.0218","","","0.0469","0.0484","","","","","","1.019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4341834","11.185","0.0011","25.865","0.003","21.602","0.002","90","","98.648","0.002","90","","6178.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H87 N4 O3 U -","- C70 H87 N4 O3 U -","- C280 H348 N16 O12 U4 -","4","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Maron, Laurent; Meyer, Karsten","A Series of Uranium (IV, V, VI) Tritylimido Complexes, Their Molecular and Electronic Structures and Reactivity with CO2.","Inorganic chemistry","2014","","","141126065822007","","10.1021/ic5023517","","","0.71073","MoKα","","0.0769","0.0395","","","0.0743","0.0832","","","","","","1.167","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4341835","19.088","0.003","18.621","0.003","26.465","0.004","90","","97.044","0.003","90","","9336","3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98.5 H91.5 B F20 N4 O3 U -","- C98.5 H91.5 B F20 N4 O3 U -","- C394 H366 B4 F80 N16 O12 U4 -","4","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Maron, Laurent; Meyer, Karsten","A Series of Uranium (IV, V, VI) Tritylimido Complexes, Their Molecular and Electronic Structures and Reactivity with CO2.","Inorganic chemistry","2014","","","141126065822007","","10.1021/ic5023517","","","0.71073","MoKα","","0.1464","0.0664","","","0.1539","0.189","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341836","14.6718","0.0016","31.392","0.003","18.5045","0.0019","90","","99.962","0.003","90","","8394.2","1.5","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94 H87 B F20 N4 O3 U -","- C94 H87 B F20 N4 O3 U -","- C376 H348 B4 F80 N16 O12 U4 -","4","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Maron, Laurent; Meyer, Karsten","A Series of Uranium (IV, V, VI) Tritylimido Complexes, Their Molecular and Electronic Structures and Reactivity with CO2.","Inorganic chemistry","2014","","","141126065822007","","10.1021/ic5023517","","","0.71073","MoKα","","0.0455","0.03","","","0.0601","0.0644","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341837","14.0112","0.0015","21.8391","0.0007","22.11","0.002","90","","112.164","0.008","90","","6265.6","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H87 K N4 O3 U -","- C70 H87 K N4 O3 U -","- C280 H348 K4 N16 O12 U4 -","4","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Maron, Laurent; Meyer, Karsten","A Series of Uranium (IV, V, VI) Tritylimido Complexes, Their Molecular and Electronic Structures and Reactivity with CO2.","Inorganic chemistry","2014","","","141126065822007","","10.1021/ic5023517","","","0.71073","MoKα","","0.0472","0.0277","","","0.0611","0.0703","","","","","","1.129","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4341838","11.5614","0.0015","13.7841","0.0019","22.867","0.003","97.328","0.004","91.955","0.003","108.57","0.003","3415.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H106 N4 O6 U -","- C76 H106 N4 O6 U -","- C152 H212 N8 O12 U2 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Maron, Laurent; Meyer, Karsten","A Series of Uranium (IV, V, VI) Tritylimido Complexes, Their Molecular and Electronic Structures and Reactivity with CO2.","Inorganic chemistry","2014","","","141126065822007","","10.1021/ic5023517","","","0.71073","MoKα","","0.0461","0.0342","","","0.0745","0.079","","","","","","1.023","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4341839","14.5822","0.0018","15.4795","0.0019","20.177","0.002","75.13","0.003","76.363","0.003","78.222","0.003","4227.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H115 N4 O5 U -","- C98 H115 N4 O5 U -","- C196 H230 N8 O10 U2 -","2","1","","Schmidt, Anna-Corina; Heinemann, Frank W.; Maron, Laurent; Meyer, Karsten","A Series of Uranium (IV, V, VI) Tritylimido Complexes, Their Molecular and Electronic Structures and Reactivity with CO2.","Inorganic chemistry","2014","","","141126065822007","","10.1021/ic5023517","","","0.71073","MoKα","","0.0718","0.0537","","","0.1308","0.1422","","","","","","1.167","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341840","19.8487","0.0009","17.7022","0.0009","27.7928","0.0013","90","","90","","90","","9765.4","0.8","100","0.2","100","0.2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C12 H90.8 Na10 O76.4 Ru2 Ta12 -","- C12 H12 Na10 O76.4 Ru2 Ta12 -","- C48 H48 Na40 O305.6 Ru8 Ta48 -","4","","","Abramov, P. A.; Sokolov, M. N.; Floquet, S.; Haouas, M.; Taulelle, F.; Cadot, E.; Peresypkina, E. V.; Virovets, A. V.; Vicent, C.; Kompankov, N. B.; Zhdanov, A. A.; Shuvaeva, O. V.; Fedin, V. P.","Coordination-Induced Condensation of [Ta6O19](8-): Synthesis and Structure of [{(C6H6)Ru}2Ta6O19](4-) and [{(C6H6)RuTa6O18}2(μ-O)](10-)","Inorganic chemistry","2014","","","141203085652001","","10.1021/ic501622t","","","0.71073","MoKα","","0.0855","0.0593","","","0.1274","0.136","","","","","","1.164","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341841","24.7985","0.0011","9.9374","0.0005","9.7075","0.0005","90","","107.917","0.002","90","","2276.23","0.19","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H52 Na4 O39 Ru2 Ta6 -","- C12 H12 Na4 O39 Ru2 Ta6 -","- C24 H24 Na8 O78 Ru4 Ta12 -","2","0.25","","Abramov, P. A.; Sokolov, M. N.; Floquet, S.; Haouas, M.; Taulelle, F.; Cadot, E.; Peresypkina, E. V.; Virovets, A. V.; Vicent, C.; Kompankov, N. B.; Zhdanov, A. A.; Shuvaeva, O. V.; Fedin, V. P.","Coordination-Induced Condensation of [Ta6O19](8-): Synthesis and Structure of [{(C6H6)Ru}2Ta6O19](4-) and [{(C6H6)RuTa6O18}2(μ-O)](10-)","Inorganic chemistry","2014","","","141203085652001","","10.1021/ic501622t","","","0.71073","MoKα","","0.0601","0.0384","","","0.0792","0.0891","","","","","","0.977","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341842","17.8638","0.0006","8.6385","0.0003","14.9031","0.0005","90","","111.176","0.001","90","","2144.5","0.13","100","2","100","2","","","","","","","synthetical product","5","C 1 c 1","C -2yc","9","","Bis(2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-phenolato)-me- thoxy-oxo-rhenium(V)","","- C23 H27 N2 O6 Re -","- C23 H27 N2 O6 Re -","- C92 H108 N8 O24 Re4 -","4","1","","Schachner, Jörg A; Terfassa, Belina; Peschel, Lydia M.; Zwettler, Niklas; Belaj, Ferdinand; Cias, Pawel; Gescheidt, Georg; Mösch-Zanetti, Nadia C","Oxorhenium(V) Complexes with Phenolate-Oxazoline Ligands: Influence of the Isomeric Form on the O-Atom-Transfer Reactivity.","Inorganic chemistry","2014","","","141202093244006","","10.1021/ic501932c","","","0.71073","MoKα","","0.0181","0.0172","","","0.0444","0.0451","","","","","","1.072","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4341843","10.4136","0.0004","11.0975","0.0004","14.2203","0.0005","88.8977","0.0014","86.1595","0.0013","65.6757","0.0013","1494.06","0.1","100","2","100","2","","","","","","","synthetical product","7","P -1","-P 1","2","","dichloro[2-[4,5-dihydro-2-oxazolyl-κN3]phenolato-κO]oxo(triphenyl- phosphine)-rhenium(V) bis(acetonitrile) solvate","","- C31 H29 Cl2 N3 O3 P Re -","- C31 H29 Cl2 N3 O3 P Re -","- C62 H58 Cl4 N6 O6 P2 Re2 -","2","1","","Schachner, Jörg A; Terfassa, Belina; Peschel, Lydia M.; Zwettler, Niklas; Belaj, Ferdinand; Cias, Pawel; Gescheidt, Georg; Mösch-Zanetti, Nadia C","Oxorhenium(V) Complexes with Phenolate-Oxazoline Ligands: Influence of the Isomeric Form on the O-Atom-Transfer Reactivity.","Inorganic chemistry","2014","","","141202093244006","","10.1021/ic501932c","","","0.71073","MoKα","","0.0183","0.0164","","","0.0409","0.0419","","","","","","1.04","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341844","9.3096","0.0005","7.9506","0.0004","23.3508","0.0011","90","","95.817","0.002","90","","1719.45","0.15","100","2","100","2","","","","","","","synthetical product","6","P 1 21/c 1","-P 2ybc","14","","chloro-bis[2-(4,5-dihydro-2-oxazolyl-κN)phenolato-κO]oxo-rhenium(V)","","- C18 H16 Cl N2 O5 Re -","- C18 H16 Cl N2 O5 Re -","- C72 H64 Cl4 N8 O20 Re4 -","4","1","","Schachner, Jörg A; Terfassa, Belina; Peschel, Lydia M.; Zwettler, Niklas; Belaj, Ferdinand; Cias, Pawel; Gescheidt, Georg; Mösch-Zanetti, Nadia C","Oxorhenium(V) Complexes with Phenolate-Oxazoline Ligands: Influence of the Isomeric Form on the O-Atom-Transfer Reactivity.","Inorganic chemistry","2014","","","141202093244006","","10.1021/ic501932c","","","0.71073","MoKα","","0.0358","0.0334","","","0.065","0.0656","","","","","","1.394","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341845","7.3979","0.0005","25.1497","0.0016","9.5588","0.0006","90","","90.331","0.003","90","","1778.4","0.2","100","2","100","2","","","","","","","synthetical product","6","P 1 21/n 1","-P 2yn","14","","chloro-bis(2-(2'-hydroxyphenyl)-2-oxazolinato-N,O)oxo-rhenium(V)","","- C18 H16 Cl N2 O5 Re -","- C18 H16 Cl N2 O5 Re -","- C72 H64 Cl4 N8 O20 Re4 -","4","1","","Schachner, Jörg A; Terfassa, Belina; Peschel, Lydia M.; Zwettler, Niklas; Belaj, Ferdinand; Cias, Pawel; Gescheidt, Georg; Mösch-Zanetti, Nadia C","Oxorhenium(V) Complexes with Phenolate-Oxazoline Ligands: Influence of the Isomeric Form on the O-Atom-Transfer Reactivity.","Inorganic chemistry","2014","","","141202093244006","","10.1021/ic501932c","","","0.71073","MoKα","","0.0784","0.0653","","","0.1578","0.1634","","","","","","1.115","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341846","11.136","0.0002","14.7811","0.0003","14.9453","0.0003","90","","95.013","0.001","90","","2450.62","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 Cu P2 S4 -","- C60 H48 Cu P2 S4 -","- C120 H96 Cu2 P4 S8 -","2","0.5","","Maiti, Biplab K.; Maia, Luisa B.; Pal, Kuntal; Pakhira, Bholanath; Avilés, Teresa; Moura, Isabel; Pauleta, Sofia R.; Nuñez, José L; Rizzi, Alberto C.; Brondino, Carlos D.; Sarkar, Sabyasachi; Moura, José J G","One Electron Reduced Square Planar Bis(benzene-1,2-dithiolato) Copper Dianionic Complex and Redox Switch by O2/HO(-)","Inorganic chemistry","2014","","","141204141048005","","10.1021/ic501742j","","","0.71073","MoKα","","0.0533","0.0469","","","0.1243","0.1296","","","","","","1.06","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341847","9.3583","0.0003","22.5243","0.0008","12.3493","0.0002","90","","91.462","0.002","90","","2602.25","0.13","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 B2 F8 N2 O2 P4 Pt -","- C56 H50 B2 F8 N2 O2 P4 Pt -","- C112 H100 B4 F16 N4 O4 P8 Pt2 -","2","0.5","","Zhang, Shuanming; Pattacini, Roberto; Braunstein, Pierre; De Cola, Luisa; Plummer, Edward; Mauro, Matteo; Gourlaouen, Christophe; Daniel, Chantal","Synthesis, Structure, and Optical Properties of Pt(II) and Pd(II) Complexes with Oxazolyl- and Pyridyl-Functionalized DPPM-Type Ligands: A Combined Experimental and Theoretical Study.","Inorganic chemistry","2014","","","141124111704004","","10.1021/ic501566u","","x-ray","0.71073","MoKα","","0.0609","0.0356","","","0.0818","0.0918","","","","","","0.962","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341848","16.7379","0.0006","14.9479","0.0007","23.448","0.0006","90","","109.125","0.002","90","","5542.8","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H56 N2 O2 P4 Pt -","- C62 H56 N2 O2 P4 Pt -","- C248 H224 N8 O8 P16 Pt4 -","4","0.5","","Zhang, Shuanming; Pattacini, Roberto; Braunstein, Pierre; De Cola, Luisa; Plummer, Edward; Mauro, Matteo; Gourlaouen, Christophe; Daniel, Chantal","Synthesis, Structure, and Optical Properties of Pt(II) and Pd(II) Complexes with Oxazolyl- and Pyridyl-Functionalized DPPM-Type Ligands: A Combined Experimental and Theoretical Study.","Inorganic chemistry","2014","","","141124111704004","","10.1021/ic501566u","","x-ray","0.71073","MoKα","","0.0741","0.043","","","0.0843","0.0946","","","","","","0.999","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341849","11.7472","0.0005","18.3989","0.0008","15.4885","0.0006","90","","102.738","0.002","90","","3265.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 Cl10 N2 P4 Pd -","- C64 H58 Cl10 N2 P4 Pd -","- C128 H116 Cl20 N4 P8 Pd2 -","2","0.5","","Zhang, Shuanming; Pattacini, Roberto; Braunstein, Pierre; De Cola, Luisa; Plummer, Edward; Mauro, Matteo; Gourlaouen, Christophe; Daniel, Chantal","Synthesis, Structure, and Optical Properties of Pt(II) and Pd(II) Complexes with Oxazolyl- and Pyridyl-Functionalized DPPM-Type Ligands: A Combined Experimental and Theoretical Study.","Inorganic chemistry","2014","","","141124111704004","","10.1021/ic501566u","","x-ray","0.71073","MoKα","","0.1013","0.0507","","","0.1236","0.1443","","","","","","1.04","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341850","29.9253","0.003","8.4225","0.0005","9.0985","0.0004","90","","98.474","0.006","90","","2268.2","0.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 N2 O20 P5 Zr2 -","- C8 N2 O20 P5 Zr2 -","- C32 N8 O80 P20 Zr8 -","4","0.5","","Donnadio, Anna; Nocchetti, Morena; Costantino, Ferdinando; Taddei, Marco; Casciola, Mario; da Silva Lisboa, Fábio; Vivani, Riccardo","A Layered Mixed Zirconium Phosphate/Phosphonate with Exposed Carboxylic and Phosphonic Groups: X-ray Powder Structure and Proton Conductivity Properties.","Inorganic chemistry","2014","","","141126065853001","","10.1021/ic502473w","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.08154","","2.41","","","","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341851","28.3446","0.0006","28.3446","0.0006","10.5434","0.0005","90","","90","","90","","8470.7","0.5","296","2","296.15","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C17 H8 Co F6 O4 -","- C17 H8 Co F6 O4 -","- C272 H128 Co16 F96 O64 -","16","","","Bernini, María Celeste; de Paz, Julio Romero; Snejko, Natalia; Sáez-Puche, Regino; Gutierrez-Puebla, Enrique; Monge, María Ángeles","Unusual Magnetic Behaviors and Electronic Configurations Driven by Diverse Co(II) or Mn(II) MOF Architectures.","Inorganic chemistry","2014","","","141204082337009","","10.1021/ic501898x","","","1.54178","CuKα","","0.0682","0.0495","","","0.1444","0.1637","","","","","","1.129","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341852","12.761","0.0004","13.2384","0.0004","13.7262","0.0005","83.886","0.002","89.474","0.002","66.422","0.001","2111.74","0.12","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H64 Co3 F24 N2 O16 -","- C80 H64 Co3 F24 N2 O16 -","- C80 H64 Co3 F24 N2 O16 -","1","0.5","","Bernini, María Celeste; de Paz, Julio Romero; Snejko, Natalia; Sáez-Puche, Regino; Gutierrez-Puebla, Enrique; Monge, María Ángeles","Unusual Magnetic Behaviors and Electronic Configurations Driven by Diverse Co(II) or Mn(II) MOF Architectures.","Inorganic chemistry","2014","","","141204082337009","","10.1021/ic501898x","","","1.54178","CuKα","","0.0823","0.0641","","","0.1496","0.1548","","","","","","0.935","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341853","12.3614","0.0008","25.6247","0.0017","13.7747","0.0009","90","","93.458","0.001","90","","4355.3","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H62 Co3 F24 N2 O16 -","- C80 H34 Co3 F24 N2 O16 -","- C160 H68 Co6 F48 N4 O32 -","2","0.5","","Bernini, María Celeste; de Paz, Julio Romero; Snejko, Natalia; Sáez-Puche, Regino; Gutierrez-Puebla, Enrique; Monge, María Ángeles","Unusual Magnetic Behaviors and Electronic Configurations Driven by Diverse Co(II) or Mn(II) MOF Architectures.","Inorganic chemistry","2014","","","141204082337009","","10.1021/ic501898x","","","0.71073","MoKα","","0.1496","0.0775","","","0.1966","0.2225","","","","","","0.959","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341854","28.5047","0.0003","28.5047","0.0003","10.5027","0.0003","90","","90","","90","","8533.6","0.3","296","2","296.15","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C34 H16 F12 Mn2 O8 -","- C34 H16 F12 Mn2 O8 -","- C272 H128 F96 Mn16 O64 -","8","","","Bernini, María Celeste; de Paz, Julio Romero; Snejko, Natalia; Sáez-Puche, Regino; Gutierrez-Puebla, Enrique; Monge, María Ángeles","Unusual Magnetic Behaviors and Electronic Configurations Driven by Diverse Co(II) or Mn(II) MOF Architectures.","Inorganic chemistry","2014","","","141204082337009","","10.1021/ic501898x","","","1.54178","CuKα","","0.0448","0.0392","","","0.1159","0.1192","","","","","","1.124","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341855","26.673","0.007","9.769","0.003","10.315","0.003","90","","90","","90","","2687.8","1.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H21 Co2 F6 N O7 -","- C23 H21 Co2 F6 N O7 -","- C92 H84 Co8 F24 N4 O28 -","4","1","","Bernini, María Celeste; de Paz, Julio Romero; Snejko, Natalia; Sáez-Puche, Regino; Gutierrez-Puebla, Enrique; Monge, María Ángeles","Unusual Magnetic Behaviors and Electronic Configurations Driven by Diverse Co(II) or Mn(II) MOF Architectures.","Inorganic chemistry","2014","","","141204082337009","","10.1021/ic501898x","","","0.71073","MoKα","","0.1578","0.0856","","","0.1034","0.1209","","","","","","1.104","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341859","32.1993","0.0005","13.8892","0.0002","22.3049","0.0003","90","","116.198","0.001","90","","8950.5","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C91 H94 Au4 F12 O3 P8 -","- C91 H94 Au4 F12 O3 P8 -","- C364 H376 Au16 F48 O12 P32 -","4","0.5","","Dau, Thuy Minh; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Lin, Ke-Ting; Hung, Wen-Yi; Chou, Pi-Tai; Pakkanen, Tapani A.; Koshevoy, Igor O.","Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State Luminescence.","Inorganic chemistry","2014","","","141201154356007","","10.1021/ic501470v","","","0.71073","MoKα","","0.0269","0.021","","","0.0472","0.0496","","","","","","1.026","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341860","12.3155","0.0004","12.2783","0.0005","30.2738","0.001","90","","100.096","0.002","90","","4506.9","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C95 H82 Au4 F12 O P8 -","- C95 H82 Au4 F12 O P8 -","- C190 H164 Au8 F24 O2 P16 -","2","0.5","","Dau, Thuy Minh; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Lin, Ke-Ting; Hung, Wen-Yi; Chou, Pi-Tai; Pakkanen, Tapani A.; Koshevoy, Igor O.","Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State Luminescence.","Inorganic chemistry","2014","","","141201154356007","","10.1021/ic501470v","","","0.71073","MoKα","","0.0553","0.0317","","","0.0682","0.0753","","","","","","1.03","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341861","12.596","0.0004","13.2134","0.0004","18.6224","0.0006","86.708","0.002","74.309","0.002","61.969","0.002","2625.03","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H99 Au4 F12 O3 P8 -","- C113 H102 Au4 F12 O3 P8 -","- C113 H102 Au4 F12 O3 P8 -","1","0.5","","Dau, Thuy Minh; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Lin, Ke-Ting; Hung, Wen-Yi; Chou, Pi-Tai; Pakkanen, Tapani A.; Koshevoy, Igor O.","Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State Luminescence.","Inorganic chemistry","2014","","","141201154356007","","10.1021/ic501470v","","","0.71073","MoKα","","0.0626","0.0328","","","0.0538","0.0599","","","","","","1.002","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341862","17.4943","0.0002","13.6657","0.0002","21.3819","0.0003","90","","112.526","0.001","90","","4721.81","0.12","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H96 Au4 F12 O6 P8 -","- C94 H96 Au4 F12 O6 P8 -","- C188 H192 Au8 F24 O12 P16 -","2","0.5","","Dau, Thuy Minh; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Lin, Ke-Ting; Hung, Wen-Yi; Chou, Pi-Tai; Pakkanen, Tapani A.; Koshevoy, Igor O.","Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State Luminescence.","Inorganic chemistry","2014","","","141201154356007","","10.1021/ic501470v","","","0.71073","MoKα","","0.0247","0.0195","","","0.0436","0.0453","","","","","","1.009","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341863","11.9752","0.0003","17.8769","0.0004","20.3836","0.0004","90","","98.581","0.001","90","","4314.86","0.17","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C169 H160 Au8 F24 N4 O P16 -","- C169 H160 Au8 F24 N4 O P16 -","- C169 H160 Au8 F24 N4 O P16 -","1","0.25","","Dau, Thuy Minh; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Lin, Ke-Ting; Hung, Wen-Yi; Chou, Pi-Tai; Pakkanen, Tapani A.; Koshevoy, Igor O.","Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State Luminescence.","Inorganic chemistry","2014","","","141201154356007","","10.1021/ic501470v","","","0.71073","MoKα","","0.0349","0.0251","","","0.0585","0.062","","","","","","1.022","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341864","18.1811","0.0003","19.7386","0.0002","22.4595","0.0003","90","","90","","90","","8060.03","0.19","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C80 H80 Au4 Cl2 O10 P6 -","- C80 H80 Au4 Cl2 O10 P6 -","- C320 H320 Au16 Cl8 O40 P24 -","4","0.5","","Dau, Thuy Minh; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Lin, Ke-Ting; Hung, Wen-Yi; Chou, Pi-Tai; Pakkanen, Tapani A.; Koshevoy, Igor O.","Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State Luminescence.","Inorganic chemistry","2014","","","141201154356007","","10.1021/ic501470v","","","0.71073","MoKα","","0.0383","0.0243","","","0.0494","0.0534","","","","","","1.001","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341865","28.8989","0.0016","28.8989","0.0016","10.9722","0.0008","90","","90","","90","","9163.4","1","120","2","120","2","","","","","","","","6","I 41","I 4bw","80","","","","- C88 H78 Au4 F18 O2 P8 -","- C88 H78 Au4 F18 O2 P8 -","- C352 H312 Au16 F72 O8 P32 -","4","0.5","","Dau, Thuy Minh; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Lin, Ke-Ting; Hung, Wen-Yi; Chou, Pi-Tai; Pakkanen, Tapani A.; Koshevoy, Igor O.","Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State Luminescence.","Inorganic chemistry","2014","","","141201154356007","","10.1021/ic501470v","","","0.71073","MoKα","","0.043","0.0316","","","0.0744","0.0774","","","","","","1.044","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341866","12.7994","0.0003","13.044","0.0003","14.711","0.0004","89.475","0.001","70.126","0.001","64.425","0.001","2055.9","0.09","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H80 Au4 F12 O2 P8 S2 -","- C82 H80 Au4 F12 O2 P8 S2 -","- C82 H80 Au4 F12 O2 P8 S2 -","1","0.5","","Dau, Thuy Minh; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Lin, Ke-Ting; Hung, Wen-Yi; Chou, Pi-Tai; Pakkanen, Tapani A.; Koshevoy, Igor O.","Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State Luminescence.","Inorganic chemistry","2014","","","141201154356007","","10.1021/ic501470v","","","0.71073","MoKα","","0.0441","0.0259","","","0.045","0.0486","","","","","","1.007","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341868","14.8355","0.0004","18.1052","0.0004","28.8773","0.0006","90","","95.671","0.002","90","","7718.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N4 Ni13 O168 P4 W30 -","- C4 H8 N4 Ni13 O168 P4 W30 -","- C8 H16 N8 Ni26 O336 P8 W60 -","2","0.5","","Wang, Xingquan; Liu, Shuxia; Liu, Yiwei; He, Danfeng; Li, Ning; Miao, Jun; Ji, Yujuan; Yang, Guoyu","Planar {Ni6} Cluster-Containing Polyoxometalate-based Inorganic-Organic Hybrid Compound and Its Extended Structure.","Inorganic chemistry","2014","","","141126095850003","","10.1021/ic502321v","","","0.71073","MoKα","","0.0791","0.0456","","","0.1002","0.1131","","","","","","1.014","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341869","28.552","0.0017","27.8454","0.0017","27.887","0.002","90","","120.61","0.001","90","","19082","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H134 N26 Ni17 O142 P4 W30 -","- C45 H134 N26 Ni17 O142 P4 W30 -","- C180 H536 N104 Ni68 O568 P16 W120 -","4","0.5","","Wang, Xingquan; Liu, Shuxia; Liu, Yiwei; He, Danfeng; Li, Ning; Miao, Jun; Ji, Yujuan; Yang, Guoyu","Planar {Ni6} Cluster-Containing Polyoxometalate-based Inorganic-Organic Hybrid Compound and Its Extended Structure.","Inorganic chemistry","2014","","","141126095850003","","10.1021/ic502321v","","","0.71073","MoKα","","0.0909","0.0469","","","0.0981","0.1117","","","","","","1.036","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341870","6.4955","0.0002","18.4218","0.0004","20.1841","0.0004","90","","90","","90","","2415.21","0.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H11 Cu3 Ge N2 S4 -","- C5 H3 Cu3 Ge N2 S4 -","- C40 H24 Cu24 Ge8 N16 S32 -","8","1","","Lin, Qipu; Zhang, Zhenyu; Bu, Xianhui; Feng, Pingyun","Polymorphic Graphene-like Cuprous Germanosulfides with a High Cu-to-Ge Ratio and Low Band Gap.","Inorganic chemistry","2014","","","141126065759003","","10.1021/ic502527g","","","0.71073","MoKα","","0.0488","0.032","","","0.0687","0.0718","","","","","","0.978","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341871","18.633","0.004","7.3801","0.0014","13.211","0.003","90","","101.299","0.013","90","","1781.5","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H6 Cu3 Ge N S4 -","- C2 H6 Cu3 Ge N S4 -","- C16 H48 Cu24 Ge8 N8 S32 -","8","1","","Lin, Qipu; Zhang, Zhenyu; Bu, Xianhui; Feng, Pingyun","Polymorphic Graphene-like Cuprous Germanosulfides with a High Cu-to-Ge Ratio and Low Band Gap.","Inorganic chemistry","2014","","","141126065759003","","10.1021/ic502527g","","","0.71073","MoKα","","0.0366","0.0291","","","0.0792","0.0834","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341872","20.7857","0.0007","7.4656","0.0002","13.1562","0.0005","90","","116.428","0.002","90","","1828.2","0.11","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cu3 Ge S4 -","- Cu3 Ge S4 -","- Cu24 Ge8 S32 -","8","1","","Lin, Qipu; Zhang, Zhenyu; Bu, Xianhui; Feng, Pingyun","Polymorphic Graphene-like Cuprous Germanosulfides with a High Cu-to-Ge Ratio and Low Band Gap.","Inorganic chemistry","2014","","","141126065759003","","10.1021/ic502527g","","","0.71073","MoKα","","0.0484","0.0399","","","0.1271","0.1338","","","","","","1.036","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341873","14.157","0.003","14.157","0.003","104.37","0.03","90","","90","","120","","18115","8","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C94 H84 N2 Nd3 O31 P4 -","- C93.94 H73.86 N1.98 Nd3 O30.99 P4 -","- C563.64 H443.16 N11.88 Nd18 O185.94 P24 -","6","0.166667","","Waggoner, Nolan W.; Saccoccia, Beau; Ibarra, Ilich A.; Lynch, Vincent M.; Wood, Paul T.; Humphrey, Simon M.","Magnetism of Linear [Ln3](9+) Oxo-Bridged Clusters (Ln = Pr, Nd) Supported inside a [R3PR'](+) Phosphonium Coordination Material.","Inorganic chemistry","2014","","","141203090646001","","10.1021/ic5023642","","","0.71073","MoKα","","0.1054","0.0779","","","0.2229","0.2445","","","","","","1.055","","","","has coordinates,has disorder","179521","2020-10-21","18:00:00",""
"4341874","10.7036","0.0006","19.6052","0.0011","19.5099","0.0011","90","","98.521","0.001","90","","4048.9","0.4","373","2","373","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H67 N Ni O P2 -","- C44 H67 N Ni O P2 -","- C176 H268 N4 Ni4 O4 P8 -","4","1","","Mindiola, Daniel J.; Waterman, Rory; Iluc, Vlad M.; Cundari, Thomas R.; Hillhouse, Gregory L.","Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand.","Inorganic chemistry","2014","","","141201110357006","","10.1021/ic5026153","","","0.71073","MoKα","","0.0493","0.0376","","","0.0865","0.0895","","","","","","0.957","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341875","10.3523","0.0012","11.7296","0.0014","17.66","0.002","81.351","0.002","87.044","0.002","67.817","0.002","1963.1","0.4","373","2","373","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H68 N2 Ni O1.5 P2 -","- C40 H68 N2 Ni O1.5 P2 -","- C80 H136 N4 Ni2 O3 P4 -","2","1","","Mindiola, Daniel J.; Waterman, Rory; Iluc, Vlad M.; Cundari, Thomas R.; Hillhouse, Gregory L.","Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand.","Inorganic chemistry","2014","","","141201110357006","","10.1021/ic5026153","","","0.71073","MoKα","","0.0927","0.0891","","","0.1809","0.1824","","","","","","1.333","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341876","10.161","0.003","17.701","0.005","20.277","0.006","90","","104.062","0.005","90","","3537.7","1.8","373","2","373","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H59 Cl2 N Ni O2 P2 -","- C32 H59 Cl2 N Ni O2 P2 -","- C128 H236 Cl8 N4 Ni4 O8 P8 -","4","1","","Mindiola, Daniel J.; Waterman, Rory; Iluc, Vlad M.; Cundari, Thomas R.; Hillhouse, Gregory L.","Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand.","Inorganic chemistry","2014","","","141201110357006","","10.1021/ic5026153","","","0.71073","MoKα","","0.0435","0.0386","","","0.1019","0.1074","","","","","","1.059","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341877","9.9378","0.0006","18.7987","0.0012","20.7194","0.0013","90","","99.403","0.001","90","","3818.7","0.4","373","2","373","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H63 N Ni O1.5 P2 -","- C38 H63 N Ni O1.5 P2 -","- C152 H252 N4 Ni4 O6 P8 -","4","1","","Mindiola, Daniel J.; Waterman, Rory; Iluc, Vlad M.; Cundari, Thomas R.; Hillhouse, Gregory L.","Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand.","Inorganic chemistry","2014","","","141201110357006","","10.1021/ic5026153","","","0.71073","MoKα","","0.0723","0.0697","","","0.1333","0.1343","","","","","","1.317","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341878","10.7774","0.0009","18.7289","0.0015","21.1561","0.0017","71.087","0.002","81.048","0.002","89.453","0.002","3986.8","0.6","373","2","373","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H63 N Ni O0.5 P2 -","- C40 H63 N Ni O0.5 P2 -","- C160 H252 N4 Ni4 O2 P8 -","4","2","","Mindiola, Daniel J.; Waterman, Rory; Iluc, Vlad M.; Cundari, Thomas R.; Hillhouse, Gregory L.","Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand.","Inorganic chemistry","2014","","","141201110357006","","10.1021/ic5026153","","","0.71073","MoKα","","0.0905","0.0718","","","0.1578","0.1694","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342999","12.8234","0.0002","27.3276","0.0005","17.0264","0.0003","90","","108.845","0.001","90","","5646.77","0.17","123","","123","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H40 Ag4 F24 N16 P4 -","- C34 H40 Ag4 F24 N16 P4 -","- C136 H160 Ag16 F96 N64 P16 -","4","0.5","","Weiss, Daniel T.; Haslinger, Stefan; Jandl, Christian; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Application of Open Chain Tetraimidazolium Salts as Precursors for the Synthesis of Silver Tetra(NHC) Complexes.","Inorganic chemistry","2014","","","141231135557003","","10.1021/ic502838x","","x-ray","0.71073","MoKα","","0.0234","0.0213","","","0.059","0.06","","","","","","1.082","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343000","14.5909","0.0007","15.1355","0.0007","13.9549","0.0006","90","","107.204","0.002","90","","2943.9","0.2","123","","123","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Ag2 F12 N8 P2 -","- C19 H24 Ag2 F12 N8 P2 -","- C76 H96 Ag8 F48 N32 P8 -","4","1","","Weiss, Daniel T.; Haslinger, Stefan; Jandl, Christian; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Application of Open Chain Tetraimidazolium Salts as Precursors for the Synthesis of Silver Tetra(NHC) Complexes.","Inorganic chemistry","2014","","","141231135557003","","10.1021/ic502838x","","x-ray","0.71073","MoKα","","0.019","0.0161","","","0.0364","0.0377","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344203","5.23874","0.00001","5.26635","0.00001","11.46319","0.00002","90","","90","","91.1511","0.0001","316.195","0.001","293","","293","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- Ca Eu2 O16 W4 -","- Ca Eu2 O16 W4 -","- Ca Eu2 O16 W4 -","1","0.125","","Abakumov, Artem M.; Morozov, Vladimir A.; Tsirlin, Alexander A.; Verbeeck, Johan; Hadermann, Joke","Cation Ordering and Flexibility of the BO4(2-) Tetrahedra in Incommensurately Modulated CaEu2(BO4)4 (B = Mo, W) Scheelites.","Inorganic chemistry","2014","","","140821103327002","","10.1021/ic5015412","powder diffraction","x-ray","0.39996","","","0.0504","0.0504","","0.05","0.05","","","","1.78","","","","","","","has coordinates","288070","2023-12-06","12:54:11",""
"4344204","5.23867","0.00001","5.23867","0.00001","11.54843","0.00002","90","","90","","90","","316.931","0.001","293","","293","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","","","- Ca Eu2 Mo4 O16 -","- Ca Eu2 Mo4 O16 -","- Ca Eu2 Mo4 O16 -","1","0.0625","","Abakumov, Artem M.; Morozov, Vladimir A.; Tsirlin, Alexander A.; Verbeeck, Johan; Hadermann, Joke","Cation Ordering and Flexibility of the BO4(2-) Tetrahedra in Incommensurately Modulated CaEu2(BO4)4 (B = Mo, W) Scheelites.","Inorganic chemistry","2014","","","140821103327002","","10.1021/ic5015412","powder diffraction","x-ray","0.39996","","","0.0609","0.0609","","0.0472","0.0472","","","","1.55","","","","","","","has coordinates","288070","2023-12-06","12:54:29",""
"4347995","15.653","0.0005","13.533","0.0005","13.615","0.0005","90","","103.918","0.002","90","","2799.42","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cu N5 O11 -","- C24 H29 Cu N5 O11 -","- C96 H116 Cu4 N20 O44 -","4","1","","Lin, Jian-Bin; Shimizu, George K. H.","Pyridinium linkers and mixed anions in cationic metal‒organic frameworks","Inorg. Chem. Front.","2014","1","4","302","","10.1039/C3QI00065F","","","0.71073","MoKα","","0.1287","0.0928","","","0.265","0.3027","","","","","","1.008","","","","has coordinates","232626","2020-10-21","18:00:00",""
"4347997","12.2739","0.0003","10.0375","0.0002","20.7695","0.0006","90","","96.599","0.001","90","","2541.83","0.11","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl N P2 Pd -","- C24 H36 Cl N P2 Pd -","- C96 H144 Cl4 N4 P8 Pd4 -","4","1","","Hung, Yu-Ting; Chen, Ming-Tsz; Huang, Mei-Hui; Kao, Ting-Yin; Liu, Yu-Sheng; Liang, Lan-Chang","Catalytic Sonogashira couplings mediated by an amido pincer complex of palladium","Inorganic Chemistry Frontiers","2014","1","5","405","","10.1039/c3qi00086a","","","0.71073","MoKα","","0.0723","0.0442","","","0.1039","0.1209","","","","","","1.004","","","","has coordinates","232628","2020-10-21","18:00:00",""
"4347999","37.7974","0.0011","10.4874","0.0002","20.9666","0.0004","90","","106.765","0.003","90","","7957.8","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H54 Ge25 N12.25 Ni2 O60 -","- C12.9936 H50.118 Ge24.9975 N11.681 Ni2.0562 O59.707 -","- C51.9744 H200.472 Ge99.99 N46.724 Ni8.2248 O238.828 -","4","0.5","","Huang, Shiliang; Su, Jie; Christensen, Kirsten; Inge, A. Ken; Liang, Jie; Zou, Xiaodong; Sun, Junliang","SU-79: a novel germanate with 3D 10- and 11-ring channels templated by a square-planar nickel complex","Inorg. Chem. Front.","2014","1","3","278","","10.1039/C3QI00088E","","","0.6889","synchrotron","","0.0633","0.0599","","","0.175","0.1784","","","","","","1.033","","","","has coordinates,has disorder","232630","2020-10-21","18:00:00",""
"4348001","26.896","0.003","26.896","0.003","26.896","0.003","90","","90","","90","","19456","4","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C84 H48 O32 Zr6 -","- C84 H48 O32 Zr6 -","- C336 H192 O128 Zr24 -","4","0.0208333","","Nickerl, Georg; Leistner, Matthias; Helten, Stella; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan","Integration of accessible secondary metal sites into MOFs for H2S removal","Inorg. Chem. Front.","2014","1","4","325","","10.1039/C3QI00093A","","","0.71073","MoKα","","0.1268","0.0768","","","0.1755","0.1887","","","","","","0.893","","","","has coordinates","232633","2020-10-21","18:00:00",""
"4348004","9.3416","0.0005","12.8676","0.0007","19.8225","0.0011","90","","103.333","0.003","90","","2318.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Cl2 Co N3 O -","- C25 H18 Cl2 Co N3 O -","- C100 H72 Cl8 Co4 N12 O4 -","4","1","","Chaudhuri, Satyabrata; Bera, Sachinath; Biswas, Manas Kumar; Roy, Amit Saha; Weyhermüller, Thomas; Ghosh, Prasanta","Oxidovanadium(iv), oxidomolybdenum(vi) and cobalt(iii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence","Inorg. Chem. Front.","2014","1","4","331","","10.1039/C3QI00103B","","","0.71073","MoKα","","0.0609","0.0432","","","0.1145","0.1284","","","","","","1.051","","","","has coordinates","232636","2020-10-21","18:00:00",""
"4348005","9.34","0.003","11.616","0.007","13.836","0.004","76.22","0.05","83.19","0.05","88.86","0.05","1447.6","1.1","100","2","100","2","","","","","","","methanole","5","P -1","-P 1","2","","","","- C33.5 H37 N3 O2.5 V -","- C33.5 H37 N3 O2.5 V -","- C67 H74 N6 O5 V2 -","2","1","","Chaudhuri, Satyabrata; Bera, Sachinath; Biswas, Manas Kumar; Roy, Amit Saha; Weyhermüller, Thomas; Ghosh, Prasanta","Oxidovanadium(iv), oxidomolybdenum(vi) and cobalt(iii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence","Inorg. Chem. Front.","2014","1","4","331","","10.1039/C3QI00103B","","","0.71073","MoKα","","0.1118","0.0682","","","0.1469","0.1707","","","","","","1.036","","","","has coordinates","232636","2020-10-21","18:00:00",""
"4348006","7.9292","0.0002","11.4808","0.0006","11.7269","0.0009","76.524","0.004","83.276","0.005","81.837","0.003","1023.71","0.1","100","2","100","2","","","","","","","dichloromethane, hexane","5","P -1","-P 1","2","","","","- C25 H19 Mo N3 O3 -","- C25 H19 Mo N3 O3 -","- C50 H38 Mo2 N6 O6 -","2","1","","Chaudhuri, Satyabrata; Bera, Sachinath; Biswas, Manas Kumar; Roy, Amit Saha; Weyhermüller, Thomas; Ghosh, Prasanta","Oxidovanadium(iv), oxidomolybdenum(vi) and cobalt(iii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence","Inorg. Chem. Front.","2014","1","4","331","","10.1039/C3QI00103B","","","0.71073","MoKα","","0.0293","0.0263","","","0.0675","0.0696","","","","","","1.059","","","","has coordinates","232636","2020-10-21","18:00:00",""
"4348007","11.6986","0.0012","12.1197","0.0012","14.0622","0.0014","109.91","0.003","105.249","0.003","103.361","0.003","1691.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 N4 Ni3 S30 -","- C44 H46 N4 Ni3 S30 -","- C44 H46 N4 Ni3 S30 -","1","0.5","","Yang, Hao; Liu, Jian-Lan; Zhou, Lan-Cheng; Ren, Xiao-Ming","Experimental and theoretical investigation of the magnetic and photoconductive nature of a novel two-dimensional, mixed-valence bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate molecular solid","Inorg. Chem. Front.","2014","1","5","426","","10.1039/C3QI00106G","","","0.71073","MoKα","","0.0827","0.0423","","","0.076","0.0894","","","","","","1.052","","","","has coordinates","232637","2020-10-21","18:00:00",""
"4348190","19.497","0.004","10.517","0.002","18.232","0.004","90","","90","","90","","3738.5","1.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H24 Cl11 N2 P Pd -","- C30 H24 Cl11 N2 P Pd -","- C120 H96 Cl44 N8 P4 Pd4 -","4","1","","Frik, Malgorzata; Jiménez, Josefina; Vasilevski, Vadim; Carreira, Monica; de Almeida, Andreia; Gascón, Elena; Benoit, Farrah; Sanaú, Mercedes; Casini, Angela; Contel, María","Luminescent iminophosphorane gold, palladium and platinum complexes as potential anticancer agents.","Inorganic chemistry frontiers","2014","1","3","231","241","10.1039/C4QI00003J","","","0.71073","MoKα","","0.0605","0.0483","","","0.1242","0.1343","","","","","","1.06","","","","has coordinates","232811","2020-10-21","18:00:00",""
"4348191","19.1704","0.0003","10.4373","0.0002","9.3657","0.0001","90","","93.285","0.001","90","","1870.88","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cu2 N12 O0 -","- C20 H14 Cu2 N12 -","- C80 H56 Cu8 N48 -","4","1","","Wen, Tian; Zhang, De-Xiang; Ding, Qing-Rong; Zhang, Hua-Bin; Zhang, Jian","Two luminescent Cu(i) coordination polymers based on the 1-(4-tetrazolephenyl)imidazole ligand for sensing of nitrobenzene","Inorganic Chemistry Frontiers","2014","1","5","389","","10.1039/c4qi00016a","","","1.54178","CuKα","","0.0321","0.0286","","","0.0747","0.0772","","","","","","1.045","","","","has coordinates","232812","2020-10-21","18:00:00",""
"4348192","13.5477","0.0011","20.56","0.002","8.7151","0.0007","90","","90","","90","","2427.5","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H7 Cu2 I N6 O0 -","- C10 H7 Cu2 I N6 -","- C80 H56 Cu16 I8 N48 -","8","1","","Wen, Tian; Zhang, De-Xiang; Ding, Qing-Rong; Zhang, Hua-Bin; Zhang, Jian","Two luminescent Cu(i) coordination polymers based on the 1-(4-tetrazolephenyl)imidazole ligand for sensing of nitrobenzene","Inorganic Chemistry Frontiers","2014","1","5","389","","10.1039/c4qi00016a","","","0.71073","MoKα","","0.0242","0.0214","","","0.0528","0.0544","","","","","","1.002","","","","has coordinates","232812","2020-10-21","18:00:00",""
"4348194","14.7824","0.0003","12.0395","0.0003","19.7994","0.0005","90","","104.923","0.002","90","","3404.91","0.14","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Cl2 Hg N6 O4 -","- C36 H30 Cl2 Hg N6 O4 -","- C144 H120 Cl8 Hg4 N24 O16 -","4","0.5","","Nath, Jayanta Kumar; Baruah, Jubaraj B.","Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties","Inorg. Chem. Front.","2014","1","4","342","","10.1039/C4QI00028E","","","0.71073","MoKα","","0.0935","0.072","","","0.1346","0.1432","","","","","","1.104","","","","has coordinates","232814","2020-10-21","18:00:00",""
"4348196","14.612","0.0018","11.8925","0.0018","19.488","0.003","90","","104.612","0.011","90","","3277","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Cl2 N6 O4 Zn -","- C36 H30 Cl2 N6 O4 Zn -","- C144 H120 Cl8 N24 O16 Zn4 -","4","0.5","","Nath, Jayanta Kumar; Baruah, Jubaraj B.","Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties","Inorg. Chem. Front.","2014","1","4","342","","10.1039/C4QI00028E","","","0.71073","MoKα","","0.0627","0.0488","","","0.1353","0.1446","","","","","","0.984","","","","has coordinates","232816","2020-10-21","18:00:00",""
"4348198","10.6146","0.0008","11.2239","0.0012","15.7625","0.0014","95.493","0.008","104.366","0.007","99.105","0.008","1778.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H66 Co N16 O8 S2 -","- C78 H66 Co N16 O8 S2 -","- C78 H66 Co N16 O8 S2 -","1","0.5","","Nath, Jayanta Kumar; Baruah, Jubaraj B.","Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties","Inorg. Chem. Front.","2014","1","4","342","","10.1039/C4QI00028E","","","0.71073","MoKα","","0.1076","0.0699","","","0.1426","0.1624","","","","","","1.019","","","","has coordinates","232818","2020-10-21","18:00:00",""
"4348199","14.5214","0.0004","14.1478","0.0005","22.8454","0.0008","90","","128.618","0.002","90","","3667.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N8 O4 S2 Zn -","- C38 H30 N8 O4 S2 Zn -","- C152 H120 N32 O16 S8 Zn4 -","4","1","","Nath, Jayanta Kumar; Baruah, Jubaraj B.","Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties","Inorg. Chem. Front.","2014","1","4","342","","10.1039/C4QI00028E","","","0.71073","MoKα","","0.0732","0.0473","","","0.0774","0.0863","","","","","","1.114","","","","has coordinates","232819","2020-10-21","18:00:00",""
"4348201","10.3324","0.0003","16.9948","0.0004","17.5964","0.0004","91.408","0.001","95.665","0.001","106.957","0.001","2936.48","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H59 Cd N13 O8 S2 -","- C62 H59 Cd N13 O8 S2 -","- C124 H118 Cd2 N26 O16 S4 -","2","1","","Nath, Jayanta Kumar; Baruah, Jubaraj B.","Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties","Inorg. Chem. Front.","2014","1","4","342","","10.1039/C4QI00028E","","","0.71073","MoKα","","0.045","0.032","","","0.0714","0.0811","","","","","","1.044","","","","has coordinates","232822","2020-10-21","18:00:00",""
"4348203","14.6314","0.0006","11.9993","0.0004","19.7572","0.0008","90","","105.63","0.004","90","","3340.4","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Cd Cl2 N6 O4 -","- C36 H30 Cd Cl2 N6 O4 -","- C144 H120 Cd4 Cl8 N24 O16 -","4","0.5","","Nath, Jayanta Kumar; Baruah, Jubaraj B.","Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties","Inorg. Chem. Front.","2014","1","4","342","","10.1039/C4QI00028E","","","0.71073","MoKα","","0.0427","0.0351","","","0.0793","0.0835","","","","","","1.043","","","","has coordinates","232824","2020-10-21","18:00:00",""
"4348205","10.6242","0.0007","11.2787","0.0006","15.7505","0.0009","95.575","0.004","103.794","0.004","99.258","0.004","1790.86","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H66 Mn N16 O8 S2 -","- C78 H66 Mn N16 O8 S2 -","- C78 H66 Mn N16 O8 S2 -","1","0.5","","Nath, Jayanta Kumar; Baruah, Jubaraj B.","Twisted conformations in complexes of N-(3-imidazol-1-yl-propyl)-1,8-naphthalimide and fluorescence properties","Inorg. Chem. Front.","2014","1","4","342","","10.1039/C4QI00028E","","","0.71073","MoKα","","0.079","0.0433","","","0.0676","0.0781","","","","","","1.005","","","","has coordinates","232826","2020-10-21","18:00:00",""
"4348207","19.652","0.005","11.54","0.005","27.611","0.005","90","0.005","107.031","0.005","90","0.005","5987","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H58 Co2 N12 O17 -","- C54 H58 Co2 N12 O17 -","- C216 H232 Co8 N48 O68 -","4","0.5","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Pachfule, Pradip; Colacio, Enrique; Ghoshal, Debajyoti","Syntheses, X-ray structures, catalytic activity and magnetic properties of two new coordination polymers of Co(ii) and Ni(ii) based on benzenedicarboxylate and linear N,N′-donor Schiff base linkers","Inorg. Chem. Front.","2014","1","5","414","","10.1039/C4QI00032C","","","0.71073","MoKα","","0.0439","0.0386","","","0.1322","0.1367","","","","","","1.052","","","","has coordinates","232828","2020-10-21","18:00:00",""
"4348208","19.6754","0.0003","11.3812","0.0003","27.5363","0.0005","90","","107.342","0.001","90","","5885.9","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H58 N12 Ni2 O17 -","- C54 H58 N12 Ni2 O17 -","- C216 H232 N48 Ni8 O68 -","4","0.5","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Pachfule, Pradip; Colacio, Enrique; Ghoshal, Debajyoti","Syntheses, X-ray structures, catalytic activity and magnetic properties of two new coordination polymers of Co(ii) and Ni(ii) based on benzenedicarboxylate and linear N,N′-donor Schiff base linkers","Inorg. Chem. Front.","2014","1","5","414","","10.1039/C4QI00032C","","","0.71073","MoKα","","0.0482","0.0418","","","0.1246","0.128","","","","","","1.122","","","","has coordinates","232828","2020-10-21","18:00:00",""
"4348210","19.1999","0.001","19.1999","0.001","25.815","0.003","90","","90","","90","","9516.3","1.3","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C27 H7 Mn2 N6 O11 -","- C27 H7 Mn2 N6 O11 -","- C216 H56 Mn16 N48 O88 -","8","1","","Sun, Libo; Pan, Qinhe; Liang, Zhiqiang; Yu, Jihong","Four-connected metal‒organic frameworks constructed by tetracarboxylate acid-based ligands","Inorganic Chemistry Frontiers","2014","1","6","478","","10.1039/c4qi00047a","","","0.71073","MoKα","","0.1784","0.0896","","","0.2219","0.2723","","","","","","1.047","","","","has coordinates","232830","2020-10-21","18:00:00",""
"4348211","10.213","0.002","17.607","0.004","28.123","0.006","90","","98.6","0.03","90","","5000.2","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H7 Co2 N6 O11 -","- C33 H7 Co2 N6 O11 -","- C132 H28 Co8 N24 O44 -","4","1","","Sun, Libo; Pan, Qinhe; Liang, Zhiqiang; Yu, Jihong","Four-connected metal‒organic frameworks constructed by tetracarboxylate acid-based ligands","Inorganic Chemistry Frontiers","2014","1","6","478","","10.1039/c4qi00047a","","","0.71073","MoKα","","0.1462","0.081","","","0.2022","0.2298","","","","","","1.041","","","","has coordinates","232830","2020-10-21","18:00:00",""
"4348212","38.9881","0.001","38.9881","0.001","22.2962","0.0011","90","","90","","120","","29351.2","1.8","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C33 H34 Mn2 N4 O11 -","- C33 H15 Mn2 N4 O11 -","- C594 H270 Mn36 N72 O198 -","18","1","","Sun, Libo; Pan, Qinhe; Liang, Zhiqiang; Yu, Jihong","Four-connected metal‒organic frameworks constructed by tetracarboxylate acid-based ligands","Inorganic Chemistry Frontiers","2014","1","6","478","","10.1039/c4qi00047a","","","0.71073","MoKα","","0.0967","0.0445","","","0.068","0.073","","","","","","1.01","","","","has coordinates,has disorder","232830","2020-10-21","18:00:00",""
"4348213","18.057","0.0003","18.057","0.0003","13.4495","0.0005","90","","90","","90","","4385.28","0.19","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C8.5 H In0.5 N0 O4.5 -","- C8.936 H In0.5 O4.064 -","- C71.488 H8 In4 O32.512 -","8","1","","Sun, Libo; Pan, Qinhe; Liang, Zhiqiang; Yu, Jihong","Four-connected metal‒organic frameworks constructed by tetracarboxylate acid-based ligands","Inorganic Chemistry Frontiers","2014","1","6","478","","10.1039/c4qi00047a","","","0.71073","MoKα","","0.0344","0.0276","","","0.052","0.053","","","","","","1.026","","","","has coordinates,has disorder","232830","2020-10-21","18:00:00",""
"4348215","13.291","0.002","13.838","0.002","16.545","0.004","108.734","0.003","105.788","0.003","101.737","0.002","2628.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H108 N6 Ni8 O32 -","- C98 H108 N6 Ni8 O32 -","- C98 H108 N6 Ni8 O32 -","1","0.5","","Perivolaris, Alexandros; Stoumpos, Constantinos C.; Karpinska, Jolanta; Ryder, Alan G.; Frost, Jamie M.; Mason, Kevin; Prescimone, Alessandro; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Mathieson, Jennifer S.; Cronin, Leroy; Brechin, Euan K.; Papaefstathiou, Giannis S.","A family of [Ni8] cages templated by μ6-peroxide from dioxygen activation","Inorg. Chem. Front.","2014","1","6","487","","10.1039/C4QI00048J","","","0.71073","MoKα","","0.0933","0.0542","","","0.1391","0.1603","","","","","","1.015","","","","has coordinates","232832","2020-10-21","18:00:00",""
"4348216","13.259","0.002","28.761","0.005","15.273","0.003","90","","103.829","0.002","90","","5655.4","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H112 N6 Ni8 O30 -","- C110 H100 N6 Ni8 O30 -","- C220 H200 N12 Ni16 O60 -","2","0.5","","Perivolaris, Alexandros; Stoumpos, Constantinos C.; Karpinska, Jolanta; Ryder, Alan G.; Frost, Jamie M.; Mason, Kevin; Prescimone, Alessandro; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Mathieson, Jennifer S.; Cronin, Leroy; Brechin, Euan K.; Papaefstathiou, Giannis S.","A family of [Ni8] cages templated by μ6-peroxide from dioxygen activation","Inorg. Chem. Front.","2014","1","6","487","","10.1039/C4QI00048J","","","0.71073","MoKα","","0.1197","0.0631","","","0.1463","0.1743","","","","","","0.996","","","","has coordinates,has disorder","232832","2020-10-21","18:00:00",""
"4348217","13.372","0.01","14.701","0.011","15.11","0.011","94.446","0.006","108.768","0.013","104.964","0.01","2675","3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H98 Cl2 N6 Ni8 O28 -","- C106 H92 Cl2 N6 Ni8 O28 -","- C106 H92 Cl2 N6 Ni8 O28 -","1","0.5","","Perivolaris, Alexandros; Stoumpos, Constantinos C.; Karpinska, Jolanta; Ryder, Alan G.; Frost, Jamie M.; Mason, Kevin; Prescimone, Alessandro; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Mathieson, Jennifer S.; Cronin, Leroy; Brechin, Euan K.; Papaefstathiou, Giannis S.","A family of [Ni8] cages templated by μ6-peroxide from dioxygen activation","Inorg. Chem. Front.","2014","1","6","487","","10.1039/C4QI00048J","","","0.71073","MoKα","","0.0623","0.0601","","","0.1644","0.1669","","","","","","1.075","","","","has coordinates","232832","2020-10-21","18:00:00",""
"4348218","12.8976","0.0006","13.0924","0.0006","16.4651","0.0006","98.686","0.003","99.661","0.003","90.904","0.003","2707","0.2","150","","150","","","","","","","","G.Papaefstathiou","6","P -1","-P 1","2","","","","- C117 H112 Cl2 N8 Ni5 O20 -","- C117 H112 Cl2 N8 Ni5 O20 -","- C117 H112 Cl2 N8 Ni5 O20 -","1","0.5","","Perivolaris, Alexandros; Stoumpos, Constantinos C.; Karpinska, Jolanta; Ryder, Alan G.; Frost, Jamie M.; Mason, Kevin; Prescimone, Alessandro; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Mathieson, Jennifer S.; Cronin, Leroy; Brechin, Euan K.; Papaefstathiou, Giannis S.","A family of [Ni8] cages templated by μ6-peroxide from dioxygen activation","Inorg. Chem. Front.","2014","1","6","487","","10.1039/C4QI00048J","","","1.5418","CuKα","","0.0829","0.0686","","0.2087","0.1827","0.2087","","","","","","0.964","","","","has coordinates","232832","2020-10-21","18:00:00",""
"4348222","16.5108","0.0004","24.3839","0.0009","18.6385","0.0005","90","","105.084","0.003","90","","7245.3","0.4","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C168 H178.2 Dy2 N2 O16 -","- C168 H178.2 Dy2 N2 O16 -","- C336 H356.4 Dy4 N4 O32 -","2","0.5","","Sun, Wen-Bin; Yan, Bing; Zhang, Yi-Quan; Wang, Bing-Wu; Wang, Zhe-Ming; Jia, Jun-Hua; Gao, Song","The slow magnetic relaxation regulated by ligand conformation of a lanthanide single-ion magnet [Hex4N][Dy(DBM)4]","Inorg. Chem. Front.","2014","1","6","503","","10.1039/C4QI00057A","","","0.7107","MoKα","","0.0878","0.0688","","","0.1365","0.1465","","","","","","1.149","","","","has coordinates,has disorder","232834","2020-10-21","18:00:00",""
"4348223","16.5033","0.0004","24.3631","0.0008","18.6445","0.0004","90","","105.028","0.002","90","","7240","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H92 N O8 Y -","- C84 H92 N O8 Y -","- C336 H368 N4 O32 Y4 -","4","1","","Sun, Wen-Bin; Yan, Bing; Zhang, Yi-Quan; Wang, Bing-Wu; Wang, Zhe-Ming; Jia, Jun-Hua; Gao, Song","The slow magnetic relaxation regulated by ligand conformation of a lanthanide single-ion magnet [Hex4N][Dy(DBM)4]","Inorg. Chem. Front.","2014","1","6","503","","10.1039/C4QI00057A","","","1.54184","CuKα","","0.1409","0.1042","","","0.2486","0.2743","","","","","","1.043","","","","has coordinates","232834","2020-10-21","18:00:00",""
"4348224","10.743","0.002","10.981","0.002","16.751","0.003","90","","90","","90","","1976.1","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Gd4 H12 O24 S4 -","- Gd4 H4 O24 S4 -","- Gd16 H16 O96 S16 -","4","1","","Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He","Magnetocaloric effect and slow magnetic relaxation in two dense (3,12)-connected lanthanide complexes","Inorg. Chem. Front.","2014","1","7","549","","10.1039/C4QI00073K","","","0.71073","MoKα","","0.0235","0.0215","","","0.0561","0.0565","","","","","","1.112","","","","has coordinates","232835","2020-10-21","18:00:00",""
"4348225","10.278","0.002","10.761","0.002","16.613","0.003","90","","90","","90","","1837.4","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Dy4 H10 O23 S4 -","- Dy4 H4 O23 S4 -","- Dy16 H16 O92 S16 -","4","1","","Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He","Magnetocaloric effect and slow magnetic relaxation in two dense (3,12)-connected lanthanide complexes","Inorg. Chem. Front.","2014","1","7","549","","10.1039/C4QI00073K","","","0.71073","MoKα","","0.0891","0.0873","","","0.2018","0.2028","","","","","","1.06","","","","has coordinates","232835","2020-10-21","18:00:00",""
"4348231","24.56","0.03","19.67","0.02","29.88","0.04","90","","114.159","0.018","90","","13171","3","24","2","24","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C110 H148 B2 Co2 F12 Fe2 N26 O2 P2 -","- C110 H148 B2 Co2 F12 Fe2 N26 O2 P2 -","- C440 H592 B8 Co8 F48 Fe8 N104 O8 P8 -","4","0.5","","Sekine, Yoshihiro; Nihei, Masayuki; Kumai, Reiji; Nakao, Hironori; Murakami, Youichi; Oshio, Hiroki","Investigation of the light-induced electron-transfer-coupled spin transition in a cyanide-bridged [Co2Fe2] complex by X-ray diffraction and absorption measurements","Inorg. Chem. Front.","2014","1","7","540","","10.1039/C4QI00074A","","","0.71073","MoKα","","0.2931","0.1295","","","0.3066","0.3882","","","","","","1.04","","","","has coordinates,has disorder","232837","2020-10-21","18:00:00",""
"4348237","21.9728","0.0011","8.404","0.0004","11.703","0.0006","90","","90","","90","","2161.07","0.19","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H22 Cd2 N4 O15 -","- C28 H22 Cd2 N4 O15 -","- C56 H44 Cd4 N8 O30 -","2","0.5","","Parshamoni, Srinivasulu; Jena, Himanshu Sekhar; Sanda, Suresh; Konar, Sanjit","Synthesis, characterisation, water adsorption and proton conductivity of three Cd(ii) based luminescent metal‒organic frameworks","Inorg. Chem. Front.","2014","1","8","611","","10.1039/C4QI00077C","","","0.71073","MoKα","","0.0472","0.0453","","","0.1388","0.1404","","","","","","1.118","","","","has coordinates","232839","2020-10-21","18:00:00",""
"4348238","21.9953","0.0012","8.4064","0.0005","11.7118","0.0007","90","","90","","90","","2165.5","0.2","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H22 Cd2 N4 O15 -","- C28 H22 Cd2 N4 O15 -","- C56 H44 Cd4 N8 O30 -","2","0.5","","Parshamoni, Srinivasulu; Jena, Himanshu Sekhar; Sanda, Suresh; Konar, Sanjit","Synthesis, characterisation, water adsorption and proton conductivity of three Cd(ii) based luminescent metal‒organic frameworks","Inorg. Chem. Front.","2014","1","8","611","","10.1039/C4QI00077C","","","0.71073","MoKα","","0.0446","0.0422","","","0.1296","0.1318","","","","","","1.038","","","","has coordinates","232839","2020-10-21","18:00:00",""
"4348240","8.2014","0.0006","10.2761","0.0006","11.3982","0.001","111.426","0.007","108.079","0.007","93.09","0.006","834.76","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H22 Gd Mn0.5 O13 -","- C8 H22 Gd Mn0.5 O13 -","- C16 H44 Gd2 Mn O26 -","2","1","","Pan, Yin-Yin; Yang, Yan; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","One-dimensional GdIII‒MII (M = Mn, Co) acetate chains exhibiting a large cryogenic magnetocaloric effect at ΔH = 3 T","Inorg. Chem. Front.","2014","1","8","649","","10.1039/C4QI00078A","","","0.71073","MoKα","","0.031","0.0283","","","0.0693","0.0709","","","","","","1.038","","","","has coordinates","232841","2020-10-21","18:00:00",""
"4348241","8.1656","0.0005","10.2359","0.0007","11.3405","0.0006","111.699","0.006","108.094","0.005","92.947","0.005","822.18","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H22 Co0.5 Gd N0 O13 -","- C8 H22 Co0.5 Gd O13 -","- C16 H44 Co Gd2 O26 -","2","1","","Pan, Yin-Yin; Yang, Yan; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","One-dimensional GdIII‒MII (M = Mn, Co) acetate chains exhibiting a large cryogenic magnetocaloric effect at ΔH = 3 T","Inorg. Chem. Front.","2014","1","8","649","","10.1039/C4QI00078A","","","0.71073","MoKα","","0.0213","0.0203","","","0.0516","0.0521","","","","","","1.03","","","","has coordinates","232841","2020-10-21","18:00:00",""
"4348243","20.236","0.002","26.324","0.004","16.58","0.002","90","","110.496","0.003","90","","8272.9","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H40 Mn4 N8 Na6 O58.5 -","- C53 H40 Mn4 N8 Na6 O58.5 -","- C212 H160 Mn16 N32 Na24 O234 -","4","0.5","","Gan, C. R. Raymond; Liu, Zhaolin; Bai, Shi-Qiang; Tay, Siok Wei; Ge, Xiaoming; Wu, Ji-En; Hor, T. S. Andy","A biomimetic photoelectrochemical device from a molecular heterometallic sodium‒manganese water splitting catalyst","Inorg. Chem. Front.","2014","1","9","705","","10.1039/C4QI00081A","","","0.71073","MoKα","","0.1064","0.0865","","","0.246","0.2655","","","","","","1.041","","","","has coordinates,has disorder","232843","2020-10-21","18:00:00",""
"4348246","18.5537","0.0005","20.4481","0.0007","14.4208","0.0005","90","","91.001","0.003","90","","5470.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Co N16 O4 -","- C19 H24 Co N16 O4 -","- C152 H192 Co8 N128 O32 -","8","2","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mobin, Shaikh M.; Pathak, Biswarup; Mukhopadhyay, Suman","The effect of remote substitution on the formation of preferential isomers of cobalt(iii)-tetrazolate complexes by microwave assisted cycloaddition","Inorg. Chem. Front.","2014","1","8","599","","10.1039/C4QI00089G","","","0.71073","MoKα","","0.102","0.0589","","","0.139","0.1721","","","","","","1.026","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4348247","11.6957","0.0006","18.948","0.0006","12.5618","0.0003","90","","92.388","0.004","90","","2781.4","0.18","293","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Co N15 O4 -","- C20 H24 Co N15 O4 -","- C80 H96 Co4 N60 O16 -","4","1","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mobin, Shaikh M.; Pathak, Biswarup; Mukhopadhyay, Suman","The effect of remote substitution on the formation of preferential isomers of cobalt(iii)-tetrazolate complexes by microwave assisted cycloaddition","Inorg. Chem. Front.","2014","1","8","599","","10.1039/C4QI00089G","","","0.71073","MoKα","","0.0676","0.0502","","","0.1328","0.1467","","","","","","1.034","","","","has coordinates","232846","2020-10-21","18:00:00",""
"4348248","8.5104","0.0007","12.417","0.002","16.104","0.002","109.442","0.014","100.647","0.009","95.584","0.01","1553.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H31 Br2 Co N14 O4 -","- C21 H31 Br2 Co N14 O4 -","- C42 H62 Br4 Co2 N28 O8 -","2","1","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mobin, Shaikh M.; Pathak, Biswarup; Mukhopadhyay, Suman","The effect of remote substitution on the formation of preferential isomers of cobalt(iii)-tetrazolate complexes by microwave assisted cycloaddition","Inorg. Chem. Front.","2014","1","8","599","","10.1039/C4QI00089G","","","0.71073","MoKα","","0.1017","0.0692","","","0.1984","0.2293","","","","","","1.003","","","","has coordinates","232846","2020-10-21","18:00:00",""
"4348249","13.0541","0.0004","13.3594","0.0007","14.832","0.0004","90","","90","","90","","2586.63","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Cl Co N12 O5 -","- C19 H26 Cl Co N12 O5 -","- C76 H104 Cl4 Co4 N48 O20 -","4","1","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mobin, Shaikh M.; Pathak, Biswarup; Mukhopadhyay, Suman","The effect of remote substitution on the formation of preferential isomers of cobalt(iii)-tetrazolate complexes by microwave assisted cycloaddition","Inorg. Chem. Front.","2014","1","8","599","","10.1039/C4QI00089G","","","0.71073","MoKα","","0.0451","0.0418","","","0.1103","0.1131","","","","","","1.104","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4348250","11.6499","0.0007","16.1363","0.0013","13.5916","0.0011","90","","95.163","0.006","90","","2544.7","0.3","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 Cl2 Co2 N28 O9 -","- C32 H48 Cl2 Co2 N28 O9 -","- C64 H96 Cl4 Co4 N56 O18 -","2","0.5","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mobin, Shaikh M.; Pathak, Biswarup; Mukhopadhyay, Suman","The effect of remote substitution on the formation of preferential isomers of cobalt(iii)-tetrazolate complexes by microwave assisted cycloaddition","Inorg. Chem. Front.","2014","1","8","599","","10.1039/C4QI00089G","","","0.71073","MoKα","","0.0913","0.0685","","","","0.2056","","","","","","1.0861","","","","has coordinates","232846","2020-10-21","18:00:00",""
"4348251","12.545","0.003","12.545","0.003","32.893","0.016","90","","90","","120","","4483","3","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C54 H72 Br6 Cl3 Co3 N36 O11 -","- C54 H72 Br6 Cl3.00002 Co3 N36 O11 -","- C108 H144 Br12 Cl6.00004 Co6 N72 O22 -","2","0.166667","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mobin, Shaikh M.; Pathak, Biswarup; Mukhopadhyay, Suman","The effect of remote substitution on the formation of preferential isomers of cobalt(iii)-tetrazolate complexes by microwave assisted cycloaddition","Inorg. Chem. Front.","2014","1","8","599","","10.1039/C4QI00089G","","","0.71073","MoKα","","0.0741","0.0741","","","","0.2283","","","","","","1.084","","","","has coordinates","232846","2020-10-21","18:00:00",""
"4348254","12.067","0.002","7.4493","0.0015","15.764","0.003","90","","90.94","0.03","90","","1416.8","0.5","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H17 Co N18 O -","- C2 H17 Co N18 O -","- C8 H68 Co4 N72 O4 -","4","1","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","0.71073","MoKα","","0.0266","0.0226","","","0.0563","0.0573","","","","","","0.974","","","","has coordinates","232849","2020-10-21","18:00:00",""
"4348255","6.2607","0.0012","6.854","0.0012","15.006","0.002","84.6","0.014","79.945","0.015","85.933","0.015","630.24","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H13 Co N12 -","- C7 H13 Co N12 -","- C14 H26 Co2 N24 -","2","1","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","1.5418","CuKα","","0.0519","0.0386","","","0.0834","0.0879","","","","","","0.955","","","","has coordinates","232849","2020-10-21","18:00:00",""
"4348256","7.1228","0.0014","7.3402","0.0015","10.138","0.002","96.49","0.03","105.79","0.03","95.1","0.03","502.8","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H24 Co2 N22 O8 -","- C2 H24 Co2 N22 O8 -","- C2 H24 Co2 N22 O8 -","1","0.5","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","0.71073","MoKα","","0.0348","0.0325","","","0.086","0.0875","","","","","","1.094","","","","has coordinates","232849","2020-10-21","18:00:00",""
"4348257","12.51","0.003","7.4092","0.0015","17.702","0.004","90","","100.07","0.03","90","","1615.5","0.6","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H19 Co N16 O4 -","- C2 H19 Co N16 O4 -","- C8 H76 Co4 N64 O16 -","4","1","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","0.71073","MoKα","","0.0817","0.0577","","","0.1246","0.1341","","","","","","1.096","","","","has coordinates,has disorder","232849","2020-10-21","18:00:00",""
"4348258","7.8926","0.0011","7.8926","0.0011","19.125","0.004","90","","90","","90","","1191.4","0.3","133","2","133","2","","","","","","","","5","I 41 m d","I 4bw -2","109","","","","- C H14 Co N11 O7 -","- C H14 Co N11 O7 -","- C4 H56 Co4 N44 O28 -","4","0.25","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","0.71073","MoKα","","0.0234","0.0232","","","0.0565","0.0566","","","","","","1.206","","","","has coordinates","232849","2020-10-21","18:00:00",""
"4348259","7.346","0.0015","9.907","0.002","13.308","0.003","71.6","0.03","83.33","0.03","78.54","0.03","899.2","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H21 Co N16 O4 -","- C7 H21 Co N16 O4 -","- C14 H42 Co2 N32 O8 -","2","1","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","0.71073","MoKα","","0.0794","0.0611","","","0.1225","0.1282","","","","","","1.191","","","","has coordinates","232849","2020-10-21","18:00:00",""
"4348260","7.0622","0.0014","12.888","0.003","13.299","0.003","98.33","0.03","104.8","0.03","90.52","0.03","1156.6","0.5","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 Co N14 O14 -","- C12 H19 Co N14 O14 -","- C24 H38 Co2 N28 O28 -","2","1","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","0.71073","MoKα","","0.0797","0.0512","","","0.0924","0.0998","","","","","","1.04","","","","has coordinates,has disorder","232849","2020-10-21","18:00:00",""
"4348261","6.8481","0.0003","13.4859","0.0005","18.5624","0.0006","75.421","0.003","89.746","0.003","85.199","0.003","1653.02","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H16 Co N9 O12 -","- C6 H16 Co N9 O12 -","- C24 H64 Co4 N36 O48 -","4","2","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","1.54184","CuKα","","0.0599","0.0566","","","0.1527","0.1553","","","","","","1.051","","","","has coordinates","232849","2020-10-21","18:00:00",""
"4348262","12.6374","0.0003","13.7368","0.0003","15.6996","0.0004","113.942","0.002","90.678","0.002","89.527","0.002","2490.71","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H38 Co2 N26 O35 -","- C24 H38 Co2 N26 O35 -","- C48 H76 Co4 N52 O70 -","2","1","","Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.","Explosive Werner-type cobalt(iii) complexes","Inorg. Chem. Front.","2014","1","8","621","","10.1039/C4QI00094C","","","1.54184","CuKα","","0.0405","0.0378","","","0.0942","0.0964","","","","","","1.048","","","","has coordinates,has disorder","232849","2020-10-21","18:00:00",""
"4348265","13.697","0.002","23.188","0.003","14.177","0.002","90","","95.173","0.002","90","","4484.4","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","nabp-Me22+2PF6","","- C42 H37 F12 N11 O4 P2 -","- C42 H37 F12 N11 O4 P2 -","- C168 H148 F48 N44 O16 P8 -","4","1","","Li, Yongjun; Zhao, Yingjie; Jiang, Runsheng; Liu, Huibiao; Li, Yuliang","Synthesis of a naphthalenediimide-based cyclophane for controlling anion‒arene interactions","Inorg. Chem. Front.","2014","1","9","661","","10.1039/C4QI00095A","","","0.71073","MoKα","","0.0804","0.0766","","","0.191","0.1939","","","","","","1.19","","","","has coordinates,has disorder","232852","2020-10-21","18:00:00",""
"4348268","39.586","0.003","9.0348","0.0005","18.2097","0.0011","90","","116.851","0.004","90","","5810.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 Dy N9 O7 -","- C27 H24 Dy N9 O7 -","- C216 H192 Dy8 N72 O56 -","8","1","","Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing","In situ synthesis and structural characterization of a series of acylhydrazidate-extended Ln3+and Zn2+coordination polymers","Inorg. Chem. Front.","2014","1","9","673","","10.1039/C4QI00100A","","","0.71073","MoKα","","0.0462","0.0386","","","0.0978","0.1068","","","","","","1.186","","","","has coordinates","232855","2020-10-21","18:00:00",""
"4348269","7.1376","0.0004","7.813","0.0004","10.3661","0.0007","90.681","0.004","103.088","0.004","101.71","0.003","550.33","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Dy N3 O7 -","- C9 H6 Dy N3 O7 -","- C18 H12 Dy2 N6 O14 -","2","1","","Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing","In situ synthesis and structural characterization of a series of acylhydrazidate-extended Ln3+and Zn2+coordination polymers","Inorg. Chem. Front.","2014","1","9","673","","10.1039/C4QI00100A","","","0.71073","MoKα","","0.0215","0.0211","","","0.0582","0.0584","","","","","","1.178","","","","has coordinates","232855","2020-10-21","18:00:00",""
"4348270","12.3935","0.0006","13.3918","0.0007","10.3258","0.0006","90","","117.39","0.003","90","","1521.66","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 N12 O2 Zn2 -","- C11 H9 N12 O2 Zn2 -","- C44 H36 N48 O8 Zn8 -","4","0.5","","Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing","In situ synthesis and structural characterization of a series of acylhydrazidate-extended Ln3+and Zn2+coordination polymers","Inorg. Chem. Front.","2014","1","9","673","","10.1039/C4QI00100A","","","0.71073","MoKα","","0.0259","0.0214","","","0.0547","0.0565","","","","","","1.047","","","","has coordinates","232855","2020-10-21","18:00:00",""
"4348271","14.175","0.003","8.9672","0.0018","20.104","0.004","90","","93.01","0.03","90","","2551.9","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N12 O6 Zn3 -","- C20 H14 N12 O6 Zn3 -","- C80 H56 N48 O24 Zn12 -","4","0.5","","Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing","In situ synthesis and structural characterization of a series of acylhydrazidate-extended Ln3+and Zn2+coordination polymers","Inorg. Chem. Front.","2014","1","9","673","","10.1039/C4QI00100A","","","0.71073","MoKα","","0.0634","0.0499","","","0.1266","0.1372","","","","","","1.044","","","","has coordinates","232855","2020-10-21","18:00:00",""
"4348275","11.579","0.005","13.984","0.006","15.517","0.007","76.066","0.017","68.29","0.016","70.713","0.018","2183","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H94 Co2 Eu4 N8 O30 -","- C64 H94 Co2 Eu4 N8 O30 -","- C64 H94 Co2 Eu4 N8 O30 -","1","0.5","","Tian, Chong-Bin; Yuan, Da-Qiang; Han, Yun-Hu; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Synthesis, structures, and magnetic properties of a series of new heterometallic hexanuclear Co2Ln4(Ln = Eu, Gd, Tb and Dy) clusters","Inorg. Chem. Front.","2014","1","9","695","","10.1039/C4QI00116H","","","0.71073","MoKα","","0.0468","0.0408","","","0.1062","0.113","","","","","","1.096","","","","has coordinates","232859","2020-10-21","18:00:00",""
"4348276","11.628","0.004","13.997","0.004","15.441","0.005","74.478","0.014","68.117","0.012","69.735","0.012","2159.8","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H94 Co2 Gd4 N8 O30 -","- C64 H94 Co2 Gd4 N8 O30 -","- C64 H94 Co2 Gd4 N8 O30 -","1","0.5","","Tian, Chong-Bin; Yuan, Da-Qiang; Han, Yun-Hu; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Synthesis, structures, and magnetic properties of a series of new heterometallic hexanuclear Co2Ln4(Ln = Eu, Gd, Tb and Dy) clusters","Inorg. Chem. Front.","2014","1","9","695","","10.1039/C4QI00116H","","","0.71073","MoKα","","0.0589","0.049","","","0.1304","0.1415","","","","","","1.077","","","","has coordinates","232859","2020-10-21","18:00:00",""
"4348277","11.568","0.005","13.976","0.006","15.46","0.007","75.651","0.015","68.137","0.014","70.478","0.015","2164.5","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H94 Co2 N8 O30 Tb4 -","- C64 H94 Co2 N8 O30 Tb4 -","- C64 H94 Co2 N8 O30 Tb4 -","1","0.5","","Tian, Chong-Bin; Yuan, Da-Qiang; Han, Yun-Hu; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Synthesis, structures, and magnetic properties of a series of new heterometallic hexanuclear Co2Ln4(Ln = Eu, Gd, Tb and Dy) clusters","Inorg. Chem. Front.","2014","1","9","695","","10.1039/C4QI00116H","","","0.71073","MoKα","","0.0579","0.0475","","","0.1135","0.1212","","","","","","1.099","","","","has coordinates","232859","2020-10-21","18:00:00",""
"4348278","11.576","0.002","14.014","0.003","15.38","0.003","74.549","0.009","67.993","0.009","69.888","0.009","2144.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H94 Co2 Dy4 N8 O30 -","- C64 H94 Co2 Dy4 N8 O30 -","- C64 H94 Co2 Dy4 N8 O30 -","1","0.5","","Tian, Chong-Bin; Yuan, Da-Qiang; Han, Yun-Hu; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Synthesis, structures, and magnetic properties of a series of new heterometallic hexanuclear Co2Ln4(Ln = Eu, Gd, Tb and Dy) clusters","Inorg. Chem. Front.","2014","1","9","695","","10.1039/C4QI00116H","","","0.71073","MoKα","","0.0616","0.0476","","","0.1209","0.1301","","","","","","1.012","","","","has coordinates","232859","2020-10-21","18:00:00",""
"4348281","15.181","0.005","15.181","0.005","23.369","0.005","90","0.005","90","0.005","90","0.005","5386","3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C40 H36 Cl Eu N6 O17 -","- C40 H32 Cl Eu N6 O17 -","- C160 H128 Cl4 Eu4 N24 O68 -","4","0.25","","Meng, Xing; Song, Shu-Yan; Song, Xue-Zhi; Zhu, Min; Zhao, Shu-Na; Wu, Lan-Lan; Zhang, Hong-Jie","A Eu/Tb-codoped coordination polymer luminescent thermometer","Inorg. Chem. Front.","2014","1","10","757","","10.1039/C4QI00122B","","","0.71069","MoKα","","0.0939","0.0683","","","0.2104","0.2326","","","","","","1.163","","","","has coordinates","232862","2020-10-21","18:00:00",""
"4348282","15.164","0.005","15.164","0.005","23.519","0.005","90","0.005","90","0.005","90","0.005","5408","3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C40 H36 Cl Gd N6 O17 -","- C40 H32 Cl Gd N6 O17 -","- C160 H128 Cl4 Gd4 N24 O68 -","4","0.25","","Meng, Xing; Song, Shu-Yan; Song, Xue-Zhi; Zhu, Min; Zhao, Shu-Na; Wu, Lan-Lan; Zhang, Hong-Jie","A Eu/Tb-codoped coordination polymer luminescent thermometer","Inorg. Chem. Front.","2014","1","10","757","","10.1039/C4QI00122B","","","0.71069","MoKα","","0.0964","0.0644","","","0.2054","0.2375","","","","","","1.036","","","","has coordinates","232862","2020-10-21","18:00:00",""
"4348283","15.16","0.005","15.16","0.005","23.388","0.005","90","0.005","90","0.005","90","0.005","5375","3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C40 H36 Cl N6 O17 Tb -","- C40 H32 Cl N6 O17 Tb -","- C160 H128 Cl4 N24 O68 Tb4 -","4","0.25","","Meng, Xing; Song, Shu-Yan; Song, Xue-Zhi; Zhu, Min; Zhao, Shu-Na; Wu, Lan-Lan; Zhang, Hong-Jie","A Eu/Tb-codoped coordination polymer luminescent thermometer","Inorg. Chem. Front.","2014","1","10","757","","10.1039/C4QI00122B","","","0.71069","MoKα","","0.1323","0.0731","","","0.2161","0.2638","","","","","","1.039","","","","has coordinates","232862","2020-10-21","18:00:00",""
"4350640","12.253","0.004","12.06","0.004","23.477","0.007","90","","112.584","0.004","90","","3203.2","1.8","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Co N4 O2 -","- C38 H34 Co N4 O2 -","- C152 H136 Co4 N16 O8 -","4","1","","Karasawa, Satoru; Nakano, Kimihiro; Yoshihara, Daisuke; Yamamoto, Noriko; Tanokashira, Jun-ichi; Yoshizaki, Takahito; Inagaki, Yuji; Koga, Noboru","Magnetic properties of 1:2 mixed cobalt(II) salicylaldehyde Schiff-base complexes with pyridine ligands carrying high-spin carbenes (Scar = 2/2, 4/2, 6/2, and 8/2) in dilute frozen solutions: role of organic spin in heterospin single-molecule magnets.","Inorganic chemistry","2014","53","11","5447","5457","10.1021/ic403074d","","","0.71069","MoKα","","","0.0484","","","","0.1323","","","","","","0.877","","","","has coordinates","239976","2020-10-21","18:00:00",""
"4350641","20.1256","0.0013","7.1107","0.0005","22.3628","0.0014","90","","111.708","0.004","90","","2973.3","0.3","90","","90","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C34 H33 N7 -","- C34 H33 N7 -","- C136 H132 N28 -","4","1","","Karasawa, Satoru; Nakano, Kimihiro; Yoshihara, Daisuke; Yamamoto, Noriko; Tanokashira, Jun-ichi; Yoshizaki, Takahito; Inagaki, Yuji; Koga, Noboru","Magnetic properties of 1:2 mixed cobalt(II) salicylaldehyde Schiff-base complexes with pyridine ligands carrying high-spin carbenes (Scar = 2/2, 4/2, 6/2, and 8/2) in dilute frozen solutions: role of organic spin in heterospin single-molecule magnets.","Inorganic chemistry","2014","53","11","5447","5457","10.1021/ic403074d","","","1.54187","CuKα","","","0.0841","","","","0.2714","","","","","","1.116","","","","has coordinates","239976","2020-10-21","18:00:00",""
"4350642","13.126","0.006","7.335","0.004","18.504","0.009","90","","122.143","0.006","90","","1508.5","1.3","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N5 -","- C19 H13 N5 -","- C76 H52 N20 -","4","1","","Karasawa, Satoru; Nakano, Kimihiro; Yoshihara, Daisuke; Yamamoto, Noriko; Tanokashira, Jun-ichi; Yoshizaki, Takahito; Inagaki, Yuji; Koga, Noboru","Magnetic properties of 1:2 mixed cobalt(II) salicylaldehyde Schiff-base complexes with pyridine ligands carrying high-spin carbenes (Scar = 2/2, 4/2, 6/2, and 8/2) in dilute frozen solutions: role of organic spin in heterospin single-molecule magnets.","Inorganic chemistry","2014","53","11","5447","5457","10.1021/ic403074d","","","0.71069","MoKα","","","0.0607","","","","0.1766","","","","","","1.056","","","","has coordinates","239976","2020-10-21","18:00:00",""
"4350643","9.6221","0.0018","17","0.003","18.84","0.004","99.1","0.002","97.125","0.002","100.784","0.002","2951.5","1","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Co N4 O2 -","- C36 H28.5 Co N4 O2 -","- C144 H114 Co4 N16 O8 -","4","2","","Karasawa, Satoru; Nakano, Kimihiro; Yoshihara, Daisuke; Yamamoto, Noriko; Tanokashira, Jun-ichi; Yoshizaki, Takahito; Inagaki, Yuji; Koga, Noboru","Magnetic properties of 1:2 mixed cobalt(II) salicylaldehyde Schiff-base complexes with pyridine ligands carrying high-spin carbenes (Scar = 2/2, 4/2, 6/2, and 8/2) in dilute frozen solutions: role of organic spin in heterospin single-molecule magnets.","Inorganic chemistry","2014","53","11","5447","5457","10.1021/ic403074d","","","0.71069","MoKα","","","0.0512","","","","0.1429","","","","","","1.041","","","","has coordinates","239976","2020-10-21","18:00:00",""
"4350644","25.7619","0.0001","25.7619","0.0001","25.7619","0.0001","90","","90","","90","","17097.5","0.11","296","2","296","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Gd2 O42 -","- C24 H30 Co3 Gd2 O42 -","- C384 H480 Co48 Gd32 O672 -","16","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.0728","0.0359","","","0.0996","0.1217","","","","","","1.04","","","","has coordinates","239977","2020-10-21","18:00:00",""
"4350645","25.6617","0.0005","25.6617","0.0005","25.6617","0.0005","90","","90","","90","","16898.8","0.6","296","2","296","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Dy2 O42 -","- C24 H30 Co3 Dy2 O42 -","- C384 H480 Co48 Dy32 O672 -","16","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.0524","0.0398","","","0.1175","0.1368","","","","","","1.003","","","","has coordinates","239977","2020-10-21","18:00:00",""
"4350646","25.5382","0.0008","25.5382","0.0008","25.5382","0.0008","90","","90","","90","","16656","0.9","296","2","296","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Er2 O42 -","- C24 H30 Co3 Er2 O42 -","- C384 H480 Co48 Er32 O672 -","16","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.0378","0.027","","","0.0781","0.0877","","","","","","1.082","","","","has coordinates","239977","2020-10-21","18:00:00",""
"4350647","12.9706","0.0008","12.9706","0.0008","17.615","0.002","90","","90","","120","","2566.5","0.4","294","2","294","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C24 H24 Cd3 Na2 O51 Pr2 -","- C36 H48 Cd3 O45 Pr2 -","- C72 H96 Cd6 O90 Pr4 -","2","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.0838","0.0814","","","0.2412","0.2428","","","","","","1.247","","","","has coordinates,has disorder","239977","2020-10-21","18:00:00",""
"4350648","12.7559","0.0018","12.7559","0.0018","17.741","0.002","90","","90","","120","","2499.9","0.6","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H48 Cd3 Nd2 O42 -","- C24 H47.92 Cd3 Nd2 O42 -","- C48 H95.84 Cd6 Nd4 O84 -","2","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.1011","0.0913","","","0.281","0.2977","","","","","","1.086","","","","has coordinates,has disorder","239977","2020-10-21","18:00:00",""
"4350649","12.8326","0.0011","12.8326","0.0011","17.756","0.002","90","","90","","120","","2532.2","0.4","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H48 Cd3 O42 Sm2 -","- C24 H47.92 Cd3 O42 Sm2 -","- C48 H95.84 Cd6 O84 Sm4 -","2","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.0973","0.0852","","","0.2791","0.2909","","","","","","1.036","","","","has coordinates,has disorder","239977","2020-10-21","18:00:00",""
"4350650","12.7695","0.0016","12.7695","0.0016","17.727","0.003","90","","90","","120","","2503.3","0.6","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H48 Cd3 Eu2 O42 -","- C24 H47.92 Cd3 Eu2 O42 -","- C48 H95.84 Cd6 Eu4 O84 -","2","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.0919","0.0847","","","0.274","0.281","","","","","","1.069","","","","has coordinates,has disorder","239977","2020-10-21","18:00:00",""
"4350651","12.628","0.002","12.628","0.002","17.852","0.004","90","","90","","120","","2465.4","0.8","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C36 H54 Cd3 Dy2 O39 -","- C36 H54 Cd3 Dy2 O39 -","- C72 H108 Cd6 Dy4 O78 -","2","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.0994","0.0954","","","0.2926","0.298","","","","","","1.06","","","","has coordinates,has disorder","239977","2020-10-21","18:00:00",""
"4350652","26.2522","0.0013","26.2522","0.0013","26.2522","0.0013","90","","90","","90","","18092.4","1.6","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H39 Cd3 Dy2 O42 -","- C24 H39 Cd3 Dy2 O42 -","- C384 H624 Cd48 Dy32 O672 -","16","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.1111","0.0675","","","0.1952","0.2555","","","","","","1.018","","","","has coordinates","239977","2020-10-21","18:00:00",""
"4350653","26.179","0.003","26.179","0.003","26.179","0.003","90","","90","","90","","17942","4","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Cd3 Ho2 O48 -","- C24 H30 Cd3 Ho2 O48 -","- C384 H480 Cd48 Ho32 O768 -","16","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.0914","0.0519","","","0.133","0.194","","","","","","1.018","","","","has coordinates","239977","2020-10-21","18:00:00",""
"4350654","26.16","0.003","26.16","0.003","26.16","0.003","90","","90","","90","","17902","4","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H36 Cd3 Er2 O48 -","- C24 H36 Cd3 Er2 O48 -","- C384 H576 Cd48 Er32 O768 -","16","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.1013","0.0547","","","0.1641","0.2379","","","","","","1.087","","","","has coordinates","239977","2020-10-21","18:00:00",""
"4350655","26.124","0.003","26.124","0.003","26.124","0.003","90","","90","","90","","17829","4","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H36 Cd3 O48 Tm2 -","- C24 H36 Cd3 O48 Tm2 -","- C384 H576 Cd48 O768 Tm32 -","16","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.0792","0.0499","","","0.1566","0.226","","","","","","1.035","","","","has coordinates","239977","2020-10-21","18:00:00",""
"4350656","26.026","0.002","26.026","0.002","26.026","0.002","90","","90","","90","","17629","2","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H36 Cd3 Lu2 O48 -","- C24 H36 Cd3 Lu2 O48 -","- C384 H576 Cd48 Lu32 O768 -","16","0.0833333","","Huang, Xiao-feng; Ma, Jing-xin; Liu, Wei-sheng","Lanthanide metalloligand strategy toward d-f heterometallic metal-organic frameworks: magnetism and symmetric-dependent luminescent properties.","Inorganic chemistry","2014","53","12","5922","5930","10.1021/ic403080n","","","0.71073","MoKα","","0.1075","0.064","","","0.1853","0.2778","","","","","","1.043","","","","has coordinates","239977","2020-10-21","18:00:00",""
"4350657","11.8854","0.0003","14.2961","0.0004","15.0486","0.0004","111.404","0.002","92.821","0.002","100.448","0.002","2322.49","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H98 Cl4 Cu4 N2 O16 P4 -","- C92 H98 Cl4 Cu4 N2 O16 P4 -","- C92 H98 Cl4 Cu4 N2 O16 P4 -","1","0.5","","Naik, Susmita; Mague, Joel T.; Balakrishna, Maravanji S.","Short-bite PNP ligand-supported rare tetranuclear [Cu4I4] clusters: structural and photoluminescence studies.","Inorganic chemistry","2014","53","7","3864","3873","10.1021/ic500240j","","","0.71073","MoKα","","0.0616","0.038","","","0.0982","0.1026","","","","","","0.938","","","","has coordinates,has disorder","287934","2023-12-01","14:40:32",""
"4350658","16.6114","0.0004","17.5727","0.0004","32.0136","0.0006","90","","102.268","0.002","90","","9131.6","0.4","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C92 H98 Br4 Cu4 N2 O16 P4 -","- C92 H98 Br4 Cu4 N2 O16 P4 -","- C368 H392 Br16 Cu16 N8 O64 P16 -","4","1","","Naik, Susmita; Mague, Joel T.; Balakrishna, Maravanji S.","Short-bite PNP ligand-supported rare tetranuclear [Cu4I4] clusters: structural and photoluminescence studies.","Inorganic chemistry","2014","53","7","3864","3873","10.1021/ic500240j","","","0.71073","MoKα","","0.1251","0.0356","","","0.0543","0.0603","","","","","","0.766","","","","has coordinates,has disorder","239978","2020-10-21","18:00:00",""
"4350659","16.5661","0.0008","15.816","0.0006","18.4637","0.0009","90","","91.059","0.005","90","","4836.8","0.4","150.15","","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H49 Cu2 I2 N O8 P2 -","- C46 H49 Cu2 I2 N O8 P2 -","- C184 H196 Cu8 I8 N4 O32 P8 -","4","1","","Naik, Susmita; Mague, Joel T.; Balakrishna, Maravanji S.","Short-bite PNP ligand-supported rare tetranuclear [Cu4I4] clusters: structural and photoluminescence studies.","Inorganic chemistry","2014","53","7","3864","3873","10.1021/ic500240j","","","0.71073","MoKα","","0.1135","0.0818","","","0.2211","0.2366","","","","","","1.1","","","","has coordinates,has disorder","239978","2020-10-21","18:00:00",""
"4350660","10.3109","0.0006","14.3055","0.0009","14.8135","0.0009","94.458","0.001","99.793","0.001","101.868","0.001","2092.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H82 Cu4 I4 N2 O8 P4 -","- C84 H82 Cu4 I4 N2 O8 P4 -","- C84 H82 Cu4 I4 N2 O8 P4 -","1","0.5","","Naik, Susmita; Mague, Joel T.; Balakrishna, Maravanji S.","Short-bite PNP ligand-supported rare tetranuclear [Cu4I4] clusters: structural and photoluminescence studies.","Inorganic chemistry","2014","53","7","3864","3873","10.1021/ic500240j","","","0.71073","MoKα","","0.0332","0.0253","","","0.0563","0.0601","","","","","","1.036","","","","has coordinates,has disorder","239978","2020-10-21","18:00:00",""
"4350661","14.157","0.003","21.058","0.004","11.798","0.003","90","","121.286","0.004","90","","3005.7","1.2","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 Fe N14 O16 -","- C17 H19 Fe N14 O16 -","- C68 H76 Fe4 N56 O64 -","4","0.5","","Anwar, Muhammad U.; Dawe, Louise N.; Parsons, Stewart R.; Tandon, Santokh S.; Thompson, Laurence K.; Dey, Subrata K.; Mereacre, Valeriu; Reiff, William M.; Bunge, Scott D.","Oligonuclear Fe complexes (Fe, Fe4, Fe6, Fe9) derived from tritopic pyridine bis-hydrazone ligands-structural, magnetic, and Mössbauer studies.","Inorganic chemistry","2014","53","9","4655","4668","10.1021/ic500348k","","","0.71075","MoKα","","0.0679","0.0671","","","0.1936","0.1946","","","","","","1.141","","","","has coordinates","239979","2020-10-21","18:00:00",""
"4350662","14.236","0.006","17.624","0.008","22.09","0.009","103.086","0.005","99.396","0.006","101.103","0.002","5172","4","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H90 Fe4 N50 O43 -","- C68 H90 Fe4 N50 O43 -","- C136 H180 Fe8 N100 O86 -","2","1","","Anwar, Muhammad U.; Dawe, Louise N.; Parsons, Stewart R.; Tandon, Santokh S.; Thompson, Laurence K.; Dey, Subrata K.; Mereacre, Valeriu; Reiff, William M.; Bunge, Scott D.","Oligonuclear Fe complexes (Fe, Fe4, Fe6, Fe9) derived from tritopic pyridine bis-hydrazone ligands-structural, magnetic, and Mössbauer studies.","Inorganic chemistry","2014","53","9","4655","4668","10.1021/ic500348k","","","0.71075","MoKα","","0.1349","0.114","","","0.3451","0.3775","","","","","","1.371","","","","has coordinates","239979","2020-10-21","18:00:00",""
"4350663","18.125","0.008","18.678","0.008","25.9906","0.001","79.35","0.011","85.305","0.017","89.546","0.015","8618","5","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H122 Cl8 Fe9 N60 O51 -","- C126 H108 Cl8 Fe9 N60 O51 -","- C252 H216 Cl16 Fe18 N120 O102 -","2","1","","Anwar, Muhammad U.; Dawe, Louise N.; Parsons, Stewart R.; Tandon, Santokh S.; Thompson, Laurence K.; Dey, Subrata K.; Mereacre, Valeriu; Reiff, William M.; Bunge, Scott D.","Oligonuclear Fe complexes (Fe, Fe4, Fe6, Fe9) derived from tritopic pyridine bis-hydrazone ligands-structural, magnetic, and Mössbauer studies.","Inorganic chemistry","2014","53","9","4655","4668","10.1021/ic500348k","","","0.71075","MoKα","","0.147","0.12","","","0.3409","0.3834","","","","","","1.355","","","","has coordinates","239979","2020-10-21","18:00:00",""
"4350664","20.116","0.002","20.116","0.002","21.63","0.002","90","","90","","90","","8752.7","1.5","153","2","153","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C128 H117.5 Cl14 Fe6.86 N58.5 O49 -","- C128 H105 Cl14 Fe6.856 N58.5 O49 -","- C256 H210 Cl28 Fe13.712 N117 O98 -","2","0.25","","Anwar, Muhammad U.; Dawe, Louise N.; Parsons, Stewart R.; Tandon, Santokh S.; Thompson, Laurence K.; Dey, Subrata K.; Mereacre, Valeriu; Reiff, William M.; Bunge, Scott D.","Oligonuclear Fe complexes (Fe, Fe4, Fe6, Fe9) derived from tritopic pyridine bis-hydrazone ligands-structural, magnetic, and Mössbauer studies.","Inorganic chemistry","2014","53","9","4655","4668","10.1021/ic500348k","","","0.7107","MoKα","","0.0991","0.0972","","","0.281","0.2834","","","","","","1.099","","","","has coordinates,has disorder","239979","2020-10-21","18:00:00",""
"4350665","20.2231","0.0008","20.2231","0.0008","22.415","0.002","90","","90","","90","","9167.1","1","193","2","193","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C114 H84 Cl12 Fe7.47 N54 O36 -","- C114 H84 Cl12 Fe7.468 N54 O36 -","- C228 H168 Cl24 Fe14.936 N108 O72 -","2","0.25","","Anwar, Muhammad U.; Dawe, Louise N.; Parsons, Stewart R.; Tandon, Santokh S.; Thompson, Laurence K.; Dey, Subrata K.; Mereacre, Valeriu; Reiff, William M.; Bunge, Scott D.","Oligonuclear Fe complexes (Fe, Fe4, Fe6, Fe9) derived from tritopic pyridine bis-hydrazone ligands-structural, magnetic, and Mössbauer studies.","Inorganic chemistry","2014","53","9","4655","4668","10.1021/ic500348k","","","0.71073","MoKα","","0.1102","0.0763","","","0.2237","0.2484","","","","","","1.054","","","","has coordinates,has disorder","239979","2020-10-21","18:00:00",""
"4350666","20.309","0.011","20.309","0.011","22.404","0.006","90","","90","","90","","9241","7","193","2","193","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C114 H84 Cl10 Fe7.41 N54 O28 -","- C114 H84 Cl10 Fe7.408 N54 O28 -","- C228 H168 Cl20 Fe14.816 N108 O56 -","2","0.25","","Anwar, Muhammad U.; Dawe, Louise N.; Parsons, Stewart R.; Tandon, Santokh S.; Thompson, Laurence K.; Dey, Subrata K.; Mereacre, Valeriu; Reiff, William M.; Bunge, Scott D.","Oligonuclear Fe complexes (Fe, Fe4, Fe6, Fe9) derived from tritopic pyridine bis-hydrazone ligands-structural, magnetic, and Mössbauer studies.","Inorganic chemistry","2014","53","9","4655","4668","10.1021/ic500348k","","","0.71075","MoKα","","0.1143","0.0814","","","0.2318","0.2598","","","","","","1.034","","","","has coordinates","239979","2020-10-21","18:00:00",""
"4350667","16.265","0.0014","22.783","0.002","24.766","0.002","71.147","0.002","76.986","0.002","87.887","0.002","8455.6","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C103 H115 Cl13 Fe6 N46 O57 -","- C95 H70 Cl5 Fe6 N45 O10 -","- C190 H140 Cl10 Fe12 N90 O20 -","2","1","","Anwar, Muhammad U.; Dawe, Louise N.; Parsons, Stewart R.; Tandon, Santokh S.; Thompson, Laurence K.; Dey, Subrata K.; Mereacre, Valeriu; Reiff, William M.; Bunge, Scott D.","Oligonuclear Fe complexes (Fe, Fe4, Fe6, Fe9) derived from tritopic pyridine bis-hydrazone ligands-structural, magnetic, and Mössbauer studies.","Inorganic chemistry","2014","53","9","4655","4668","10.1021/ic500348k","","","0.71073","MoKα","","0.0739","0.0463","","","0.1403","0.1636","","","","","","0.53","","","","has coordinates","239979","2020-10-21","18:00:00",""
"4350668","9.7137","0.0011","14.5743","0.0016","14.5114","0.0016","90","","105.012","0.0013","90","","1984.3","0.4","196","2","196.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 Cu N5 O21 U3 -","- C30 Cu N5 O21 U3 -","- C60 Cu2 N10 O42 U6 -","2","0.5","","Weng, Zhehui; Zhang, Zhi-hui; Olds, Travis; Sterniczuk, Marcin; Burns, Peter C.","Copper(I) and copper(II) uranyl heterometallic hybrid materials.","Inorganic chemistry","2014","53","15","7993","7998","10.1021/ic5007814","","","0.71073","MoKα","","0.0437","0.0296","","","0.0624","0.0681","","","","","","1.027","","","","has coordinates","239980","2020-10-21","18:00:00",""
"4350669","27.757","0.003","10.734","0.0011","14.194","0.0015","90","","90","","90","","4229","0.8","296","2","296.15","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C18 Cu N3 O8 U -","- C18 Cu N3 O8 U -","- C144 Cu8 N24 O64 U8 -","8","1","","Weng, Zhehui; Zhang, Zhi-hui; Olds, Travis; Sterniczuk, Marcin; Burns, Peter C.","Copper(I) and copper(II) uranyl heterometallic hybrid materials.","Inorganic chemistry","2014","53","15","7993","7998","10.1021/ic5007814","","","0.71073","MoKα","","0.0707","0.0459","","","0.1025","0.1142","","","","","","1.045","","","","has coordinates","239980","2020-10-21","18:00:00",""
"4350670","30.186","0.006","13.928","0.002","18.957","0.004","90","","114.668","0.003","90","","7243","2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H68 N10 O27 Zn4 -","- C66 H68 N10 O27 Zn4 -","- C264 H272 N40 O108 Zn16 -","4","0.5","","Xuan, Zhi-Hong; Zhang, Da-Shuai; Chang, Ze; Hu, Tong-Liang; Bu, Xian-He","Targeted structure modulation of ""pillar-layered"" metal-organic frameworks for CO₂ capture.","Inorganic chemistry","2014","53","17","8985","8990","10.1021/ic500905z","","","0.71073","MoKα","","0.0794","0.0687","","","0.1653","0.1724","","","","","","1.096","","","","has coordinates,has disorder","239981","2020-10-21","18:00:00",""
"4350671","24.222","0.0009","14.0397","0.0006","6.9906","0.0003","90","","90","","90","","2377.29","0.17","123","","123","","","","","","","","see text","6","P n m a","-P 2ac 2n","62","","","","- C17 H17 F12 N5 O2 P2 -","- C17 H17 F12 N5 O2 P2 -","- C68 H68 F48 N20 O8 P8 -","4","0.5","","Rieb, Julia; Raba, Andreas; Haslinger, Stefan; Kaspar, Manuel; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E","Synthesis, characterization, and reactivity of furan- and thiophene-functionalized bis(N-heterocyclic carbene) complexes of iron(II).","Inorganic chemistry","2014","53","18","9598","9606","10.1021/ic500959m","","x-ray","0.71073","MoKα","","0.0355","0.0264","","","0.0651","0.07","","","","","","1.043","","","","has coordinates","239982","2020-10-21","18:00:00",""
"4350672","20.6829","0.0003","20.6829","0.0003","27.1011","0.0005","90","","90","","120","","10040.2","0.3","123","","123","","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C25 H27 F12 Fe N9 O2 P2 -","- C25 H27 F12.002 Fe N9 O2 P2 -","- C300 H324 F144.024 Fe12 N108 O24 P24 -","12","2","","Rieb, Julia; Raba, Andreas; Haslinger, Stefan; Kaspar, Manuel; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E","Synthesis, characterization, and reactivity of furan- and thiophene-functionalized bis(N-heterocyclic carbene) complexes of iron(II).","Inorganic chemistry","2014","53","18","9598","9606","10.1021/ic500959m","","x-ray","0.71073","MoKα","","0.0455","0.0429","","","0.1145","0.1171","","","","","","1.058","","","","has coordinates,has disorder","239982","2020-10-21","18:00:00",""
"4350673","13.055","0.0003","14.3291","0.0003","18.8249","0.0004","90","","95.92","0.001","90","","3502.73","0.13","123","","123","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 F12 Fe N8 P2 S2 -","- C23 H24 F12 Fe N8 P2 S2 -","- C92 H96 F48 Fe4 N32 P8 S8 -","4","1","","Rieb, Julia; Raba, Andreas; Haslinger, Stefan; Kaspar, Manuel; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E","Synthesis, characterization, and reactivity of furan- and thiophene-functionalized bis(N-heterocyclic carbene) complexes of iron(II).","Inorganic chemistry","2014","53","18","9598","9606","10.1021/ic500959m","","x-ray","0.71073","MoKα","","0.0448","0.0417","","","0.104","0.107","","","","","","1.038","","","","has coordinates,has disorder","239982","2020-10-21","18:00:00",""
"4350674","12.0827","0.0003","14.0187","0.0004","14.1427","0.0004","81.322","0.001","77.082","0.001","82.154","0.001","2295.01","0.11","123","","123","","","","","","","","see text","7","P -1","-P 1","2","","","","- C40 H42 F12 Fe N10 O6 P2 -","- C40 H42 F12 Fe N10 O6 P2 -","- C80 H84 F24 Fe2 N20 O12 P4 -","2","1","","Rieb, Julia; Raba, Andreas; Haslinger, Stefan; Kaspar, Manuel; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E","Synthesis, characterization, and reactivity of furan- and thiophene-functionalized bis(N-heterocyclic carbene) complexes of iron(II).","Inorganic chemistry","2014","53","18","9598","9606","10.1021/ic500959m","","x-ray","0.71073","MoKα","","0.0592","0.0496","","","0.1283","0.1361","","","","","","1.038","","","","has coordinates,has disorder","239982","2020-10-21","18:00:00",""
"4350675","21.566","0.004","7.887","0.0016","20.3","0.004","90","","96.59","0.03","90","","3430","1.2","198","","198","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 O2 Pt -","- C20 H18 N2 O2 Pt -","- C160 H144 N16 O16 Pt8 -","8","1","","Tronnier, Alexander; Pöthig, Alexander; Metz, Stefan; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","Enlarging the π system of phosphorescent (C^C*) cyclometalated platinum(II) NHC complexes.","Inorganic chemistry","2014","53","12","6346","6356","10.1021/ic500971z","","x-ray","0.71073","MoKα","","0.032","0.0208","","","0.0598","0.0746","","","","","","1.251","","","","has coordinates","239983","2020-10-21","18:00:00",""
"4350676","7.677","0.0015","10.391","0.002","11.254","0.002","73.86","0.03","78.58","0.03","72.26","0.03","815","0.3","198","","198","","","","","","","","see text","5","P -1","-P 1","2","","","","- C19 H18 N2 O2 Pt -","- C19 H18 N2 O2 Pt -","- C38 H36 N4 O4 Pt2 -","2","1","","Tronnier, Alexander; Pöthig, Alexander; Metz, Stefan; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","Enlarging the π system of phosphorescent (C^C*) cyclometalated platinum(II) NHC complexes.","Inorganic chemistry","2014","53","12","6346","6356","10.1021/ic500971z","","x-ray","0.71073","MoKα","","0.0695","0.0532","","","0.1209","0.1293","","","","","","1.094","","","","has coordinates","239983","2020-10-21","18:00:00",""
"4350677","7.787","0.0007","11.399","0.0005","12.15","0.0009","62.58","0.004","84.406","0.009","78.739","0.006","938.85","0.12","198","","198","","","","","","","","see text","5","P -1","-P 1","2","","","","- C23 H20 N2 O2 Pt -","- C23 H20 N2 O2 Pt -","- C46 H40 N4 O4 Pt2 -","2","1","","Tronnier, Alexander; Pöthig, Alexander; Metz, Stefan; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","Enlarging the π system of phosphorescent (C^C*) cyclometalated platinum(II) NHC complexes.","Inorganic chemistry","2014","53","12","6346","6356","10.1021/ic500971z","","x-ray","0.71073","MoKα","","0.0204","0.0164","","","0.0487","0.0569","","","","","","1.3","","","","has coordinates","239983","2020-10-21","18:00:00",""
"4350678","10.815","0.0007","15.808","0.0013","11.793","0.0014","90","","99.603","0.007","90","","1987.9","0.3","198","","198","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O2 Pt -","- C24 H20 N2 O2 Pt -","- C96 H80 N8 O8 Pt4 -","4","1","","Tronnier, Alexander; Pöthig, Alexander; Metz, Stefan; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","Enlarging the π system of phosphorescent (C^C*) cyclometalated platinum(II) NHC complexes.","Inorganic chemistry","2014","53","12","6346","6356","10.1021/ic500971z","","x-ray","0.71073","MoKα","","0.0238","0.0142","","","0.0293","0.0339","","","","","","1.207","","","","has coordinates","239983","2020-10-21","18:00:00",""
"4350679","11.274","0.002","13.035","0.003","18.632","0.003","90","","126.24","0.03","90","","2208.4","1.1","198","","198","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 O2 Pt -","- C28 H22 N2 O2 Pt -","- C112 H88 N8 O8 Pt4 -","4","1","","Tronnier, Alexander; Pöthig, Alexander; Metz, Stefan; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","Enlarging the π system of phosphorescent (C^C*) cyclometalated platinum(II) NHC complexes.","Inorganic chemistry","2014","53","12","6346","6356","10.1021/ic500971z","","x-ray","0.71073","MoKα","","0.0762","0.0326","","","0.0954","0.1111","","","","","","1.199","","","","has coordinates","239983","2020-10-21","18:00:00",""
"4350680","7.537","0.0006","9.714","0.0011","15.372","0.004","93.589","0.013","91.396","0.011","98.144","0.007","1111.3","0.3","198","","198","","","","","","","","see text","5","P -1","-P 1","2","","","","- C30 H22 N2 O2 Pt -","- C30 H22 N2 O2 Pt -","- C60 H44 N4 O4 Pt2 -","2","1","","Tronnier, Alexander; Pöthig, Alexander; Metz, Stefan; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","Enlarging the π system of phosphorescent (C^C*) cyclometalated platinum(II) NHC complexes.","Inorganic chemistry","2014","53","12","6346","6356","10.1021/ic500971z","","x-ray","0.71073","MoKα","","0.0349","0.0249","","","0.0552","0.0613","","","","","","1.166","","","","has coordinates","239983","2020-10-21","18:00:00",""
"4350681","8.9397","0.0002","16.202","0.0004","17.6187","0.0006","78.96","0.003","87.312","0.002","77.093","0.002","2441.38","0.12","293","0.2","293","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H32 Co N18 -","- C56 H32 Co N18 -","- C112 H64 Co2 N36 -","2","1","","Palion-Gazda, Joanna; Świtlicka-Olszewska, Anna; Machura, Barbara; Grancha, Thais; Pardo, Emilio; Lloret, Francesc; Julve, Miguel","High-temperature spin crossover in a mononuclear six-coordinate cobalt(II) complex.","Inorganic chemistry","2014","53","19","10009","10011","10.1021/ic501195y","","","0.71073","MoKα","","0.0601","0.0516","","","0.134","0.1416","","","","","","1.044","","","","has coordinates","239984","2020-10-21","18:00:00",""
"4350682","12.305","0.002","14.638","0.003","15.082","0.003","64.193","0.003","84.138","0.004","71.675","0.004","2319.7","0.8","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","TpPh2Fe(2,6-dichlorophenolate)","1","","- C51 H37 B Cl2 Fe N6 O -","- C51 H37 B Cl2 Fe N6 O -","- C102 H74 B2 Cl4 Fe2 N12 O2 -","2","1","","Machonkin, Timothy E.; Boshart, Monica D.; Schofield, Jeremy A.; Rodriguez, Meghan M.; Grubel, Katarzyna; Rokhsana, Dalia; Brennessel, William W.; Holland, Patrick L.","Structural and spectroscopic characterization of iron(II), cobalt(II), and nickel(II) ortho-dihalophenolate complexes: insights into metal-halogen secondary bonding.","Inorganic chemistry","2014","53","18","9837","9848","10.1021/ic501424e","","","0.71073","MoKα","","0.1107","0.0563","","","0.117","0.1356","","","","","","0.873","","","","has coordinates","239985","2020-10-21","18:00:00",""
"4350683","12.4836","0.0011","12.8222","0.0011","15.9833","0.0014","89.687","0.002","79.109","0.002","62.179","0.002","2211.8","0.3","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","holkg18","2","","- C53 H41 B Br2 Fe N6 O1.5 -","- C53 H41 B Br2 Fe N6 O1.5 -","- C106 H82 B2 Br4 Fe2 N12 O3 -","2","1","","Machonkin, Timothy E.; Boshart, Monica D.; Schofield, Jeremy A.; Rodriguez, Meghan M.; Grubel, Katarzyna; Rokhsana, Dalia; Brennessel, William W.; Holland, Patrick L.","Structural and spectroscopic characterization of iron(II), cobalt(II), and nickel(II) ortho-dihalophenolate complexes: insights into metal-halogen secondary bonding.","Inorganic chemistry","2014","53","18","9837","9848","10.1021/ic501424e","","","0.71073","MoKα","","0.1159","0.0535","","","0.1021","0.1224","","","","","","0.998","","","","has coordinates,has disorder","239985","2020-10-21","18:00:00",""
"4350684","10.2718","0.0015","30.796","0.004","13.4527","0.0019","90","","91.876","0.003","90","","4253.2","1","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","holmb01","3","","- C51 H37 B Cl2 Co N6 O -","- C51 H37 B Cl2 Co N6 O -","- C204 H148 B4 Cl8 Co4 N24 O4 -","4","1","","Machonkin, Timothy E.; Boshart, Monica D.; Schofield, Jeremy A.; Rodriguez, Meghan M.; Grubel, Katarzyna; Rokhsana, Dalia; Brennessel, William W.; Holland, Patrick L.","Structural and spectroscopic characterization of iron(II), cobalt(II), and nickel(II) ortho-dihalophenolate complexes: insights into metal-halogen secondary bonding.","Inorganic chemistry","2014","53","18","9837","9848","10.1021/ic501424e","","","0.71073","MoKα","","0.115","0.0662","","","0.1163","0.1322","","","","","","1.086","","","","has coordinates","239985","2020-10-21","18:00:00",""
"4350685","10.2332","0.0011","30.514","0.003","13.6761","0.0015","90","","91.362","0.002","90","","4269.2","0.8","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","holmb04","4","","- C51 H37 B Br2 Co N6 O -","- C51 H37 B Br2 Co N6 O -","- C204 H148 B4 Br8 Co4 N24 O4 -","4","1","","Machonkin, Timothy E.; Boshart, Monica D.; Schofield, Jeremy A.; Rodriguez, Meghan M.; Grubel, Katarzyna; Rokhsana, Dalia; Brennessel, William W.; Holland, Patrick L.","Structural and spectroscopic characterization of iron(II), cobalt(II), and nickel(II) ortho-dihalophenolate complexes: insights into metal-halogen secondary bonding.","Inorganic chemistry","2014","53","18","9837","9848","10.1021/ic501424e","","","0.71073","MoKα","","0.1189","0.0594","","","0.1015","0.1181","","","","","","1.035","","","","has coordinates","239985","2020-10-21","18:00:00",""
"4350686","12.3898","0.0011","14.2664","0.0013","15.4042","0.0013","63.969","0.002","84.152","0.002","71.45","0.002","2317.2","0.4","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","holmb02","5","","- C51 H37 B Cl2 N6 Ni O -","- C51 H37 B Cl2 N6 Ni O -","- C102 H74 B2 Cl4 N12 Ni2 O2 -","2","1","","Machonkin, Timothy E.; Boshart, Monica D.; Schofield, Jeremy A.; Rodriguez, Meghan M.; Grubel, Katarzyna; Rokhsana, Dalia; Brennessel, William W.; Holland, Patrick L.","Structural and spectroscopic characterization of iron(II), cobalt(II), and nickel(II) ortho-dihalophenolate complexes: insights into metal-halogen secondary bonding.","Inorganic chemistry","2014","53","18","9837","9848","10.1021/ic501424e","","","0.71073","MoKα","","0.097","0.0528","","","0.1138","0.1292","","","","","","0.909","","","","has coordinates","239985","2020-10-21","18:00:00",""
"4350687","12.4504","0.0015","12.8726","0.0016","15.8829","0.0019","90.729","0.002","100.184","0.002","117.451","0.002","2210.4","0.5","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","holmb03","6","","- C51 H37 B Br2 N6 Ni O -","- C51 H37 B Br2 N6 Ni O -","- C102 H74 B2 Br4 N12 Ni2 O2 -","2","1","","Machonkin, Timothy E.; Boshart, Monica D.; Schofield, Jeremy A.; Rodriguez, Meghan M.; Grubel, Katarzyna; Rokhsana, Dalia; Brennessel, William W.; Holland, Patrick L.","Structural and spectroscopic characterization of iron(II), cobalt(II), and nickel(II) ortho-dihalophenolate complexes: insights into metal-halogen secondary bonding.","Inorganic chemistry","2014","53","18","9837","9848","10.1021/ic501424e","","","0.71073","MoKα","","0.1447","0.0634","","","0.1057","0.1276","","","","","","0.87","","","","has coordinates","239985","2020-10-21","18:00:00",""
"4350688","9.781","0.002","21.416","0.003","11.228","0.002","90","","115.298","0.003","90","","2126.4","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(OC-6-34)-Chlorido(cyclobutane-1,1'-dicarboxylate) (cyclohexane-1R,2R,diamine)(ethane-1,2-diol)platinum(IV)","","- C14 H31 Cl N2 O9 Pt -","- C14 H24 Cl N2 O9 Pt -","- C56 H96 Cl4 N8 O36 Pt4 -","4","2","","Ravera, Mauro; Gabano, Elisabetta; Pelosi, Giorgio; Fregonese, Federico; Tinello, Stefano; Osella, Domenico","A new entry to asymmetric platinum(IV) complexes via oxidative chlorination.","Inorganic chemistry","2014","53","17","9326","9335","10.1021/ic501446b","","","0.71073","MoKα","","0.0736","0.0507","","","0.1086","0.1182","","","","","","0.98","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4350689","10.175","0.002","18.176","0.004","18.604","0.005","88.663","0.01","75.247","0.01","75.812","0.01","3222.9","1.3","123","","123","","","","","","","","see text","6","P -1","-P 1","2","","","","- C46 H64 F24 Fe2 N12 P8 -","- C46 H64 F24 Fe2 N12 P8 -","- C92 H128 F48 Fe4 N24 P16 -","2","1","","Haslinger, Stefan; Kück, Jens W; Hahn, Eva M.; Cokoja, Mirza; Pöthig, Alexander; Basset, Jean-Marie; Kühn, Fritz E","Making oxidation potentials predictable: coordination of additives applied to the electronic fine tuning of an iron(II) complex.","Inorganic chemistry","2014","53","21","11573","11583","10.1021/ic501613a","","x-ray","0.71073","MoKα","","0.0379","0.0321","","","0.0742","0.0775","","","","","","1.038","","","","has coordinates,has disorder","239987","2020-10-21","18:00:00",""
"4350690","7.9824","0.0005","21.9479","0.0008","23.6689","0.0011","90","","90","","90","","4146.7","0.4","123","","123","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C35 H40 F12 Fe N12 P2 -","- C35 H40 F12 Fe N12 P2 -","- C140 H160 F48 Fe4 N48 P8 -","4","0.5","","Haslinger, Stefan; Kück, Jens W; Hahn, Eva M.; Cokoja, Mirza; Pöthig, Alexander; Basset, Jean-Marie; Kühn, Fritz E","Making oxidation potentials predictable: coordination of additives applied to the electronic fine tuning of an iron(II) complex.","Inorganic chemistry","2014","53","21","11573","11583","10.1021/ic501613a","","x-ray","0.71073","MoKα","","0.0642","0.0591","","","0.1365","0.139","","","","","","1.187","","","","has coordinates,has disorder","239987","2020-10-21","18:00:00",""
"4350691","8.3093","0.0002","21.6677","0.0007","16.8372","0.0006","90","","90","","90","","3031.43","0.16","123","","123","","","","","","","","see text","6","P b c n","-P 2n 2ab","60","","","","- C27 H24 F12 Fe N8 P2 -","- C27 H24 F12 Fe N8 P2 -","- C108 H96 F48 Fe4 N32 P8 -","4","0.5","","Haslinger, Stefan; Kück, Jens W; Hahn, Eva M.; Cokoja, Mirza; Pöthig, Alexander; Basset, Jean-Marie; Kühn, Fritz E","Making oxidation potentials predictable: coordination of additives applied to the electronic fine tuning of an iron(II) complex.","Inorganic chemistry","2014","53","21","11573","11583","10.1021/ic501613a","","x-ray","0.71073","MoKα","","0.0338","0.0273","","","0.0652","0.0693","","","","","","1.045","","","","has coordinates,has disorder","239987","2020-10-21","18:00:00",""
"4350692","8.4369","0.0003","22.6147","0.0008","20.3046","0.0008","90","","90.9","0.002","90","","3873.6","0.2","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 F12 Fe N9 O4 P2 -","- C33 H31 F12 Fe N9 O4 P2 -","- C132 H124 F48 Fe4 N36 O16 P8 -","4","1","","Haslinger, Stefan; Kück, Jens W; Hahn, Eva M.; Cokoja, Mirza; Pöthig, Alexander; Basset, Jean-Marie; Kühn, Fritz E","Making oxidation potentials predictable: coordination of additives applied to the electronic fine tuning of an iron(II) complex.","Inorganic chemistry","2014","53","21","11573","11583","10.1021/ic501613a","","x-ray","0.71073","MoKα","","0.0775","0.051","","","0.1194","0.1317","","","","","","1.031","","","","has coordinates","239987","2020-10-21","18:00:00",""
"4350693","6.9949","0.0002","14.8441","0.0005","7.0265","0.0002","90","","100.702","0.001","90","","716.89","0.04","123","","123","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H15 Br N4 -","- C15 H15 Br N4 -","- C30 H30 Br2 N8 -","2","0.5","","Riener, Korbinian; Bitzer, Mario J.; Pöthig, Alexander; Raba, Andreas; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E","On the concept of hemilability: insights into a donor-functionalized iridium(I) NHC motif and its impact on reactivity.","Inorganic chemistry","2014","53","24","12767","12777","10.1021/ic5016324","","x-ray","0.71073","MoKα","","0.0178","0.0171","","","0.0422","0.0426","","","","","","1.082","","","","has coordinates","239988","2020-10-21","18:00:00",""
"4350694","8.2209","0.0002","17.1689","0.0004","14.8962","0.0003","90","","90","","90","","2102.51","0.08","123","","123","","","","","","","","see text","5","P n m a","-P 2ac 2n","62","","","","- C23 H26 Cl Ir N4 -","- C23 H26 Cl Ir N4 -","- C92 H104 Cl4 Ir4 N16 -","4","0.5","","Riener, Korbinian; Bitzer, Mario J.; Pöthig, Alexander; Raba, Andreas; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E","On the concept of hemilability: insights into a donor-functionalized iridium(I) NHC motif and its impact on reactivity.","Inorganic chemistry","2014","53","24","12767","12777","10.1021/ic5016324","","x-ray","0.71073","MoKα","","0.0264","0.0219","","","0.0569","0.0583","","","","","","1.077","","","","has coordinates","239988","2020-10-21","18:00:00",""
"4350695","8.68","0.0005","9.1793","0.0005","15.1898","0.0008","88.714","0.003","86.095","0.003","87.195","0.003","1205.79","0.11","123","","123","","","","","","","","see text","5","P -1","-P 1","2","","","","- C24 H28 Cl3 Ir N4 -","- C24 H28 Cl3 Ir N4 -","- C48 H56 Cl6 Ir2 N8 -","2","1","","Riener, Korbinian; Bitzer, Mario J.; Pöthig, Alexander; Raba, Andreas; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E","On the concept of hemilability: insights into a donor-functionalized iridium(I) NHC motif and its impact on reactivity.","Inorganic chemistry","2014","53","24","12767","12777","10.1021/ic5016324","","x-ray","0.71073","MoKα","","0.0262","0.0232","","","0.0534","0.0549","","","","","","1.081","","","","has coordinates","239988","2020-10-21","18:00:00",""
"4350696","8.6535","0.0005","9.2416","0.0005","15.4502","0.0008","87.854","0.003","85.367","0.003","85.655","0.003","1227.4","0.12","123","","123","","","","","","","","see text","6","P -1","-P 1","2","","","","- C24 H28 Br Cl2 Ir N4 -","- C24 H28 Br Cl2 Ir N4 -","- C48 H56 Br2 Cl4 Ir2 N8 -","2","1","","Riener, Korbinian; Bitzer, Mario J.; Pöthig, Alexander; Raba, Andreas; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E","On the concept of hemilability: insights into a donor-functionalized iridium(I) NHC motif and its impact on reactivity.","Inorganic chemistry","2014","53","24","12767","12777","10.1021/ic5016324","","x-ray","0.71073","MoKα","","0.0218","0.0206","","","0.0521","0.0532","","","","","","1.061","","","","has coordinates","239988","2020-10-21","18:00:00",""
"4350697","9.5594","0.0003","12.1179","0.0004","12.6163","0.0004","105.252","0.002","94.272","0.001","95.896","0.001","1394.67","0.08","123","","123","","","","","","","","see text","6","P -1","-P 1","2","","","","- C26 H35 F6 Ir N4 P2 -","- C26 H35 F6 Ir N4 P2 -","- C52 H70 F12 Ir2 N8 P4 -","2","1","","Riener, Korbinian; Bitzer, Mario J.; Pöthig, Alexander; Raba, Andreas; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E","On the concept of hemilability: insights into a donor-functionalized iridium(I) NHC motif and its impact on reactivity.","Inorganic chemistry","2014","53","24","12767","12777","10.1021/ic5016324","","x-ray","0.71073","MoKα","","0.0422","0.029","","","0.0496","0.0526","","","","","","1.018","","","","has coordinates,has disorder","239988","2020-10-21","18:00:00",""
"4350698","9.592","0.004","14.314","0.007","11.984","0.006","90","","104.68","0.02","90","","1591.7","1.3","123","","123","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br Ir N4 O -","- C16 H14 Br Ir N4 O -","- C64 H56 Br4 Ir4 N16 O4 -","4","1","","Riener, Korbinian; Bitzer, Mario J.; Pöthig, Alexander; Raba, Andreas; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E","On the concept of hemilability: insights into a donor-functionalized iridium(I) NHC motif and its impact on reactivity.","Inorganic chemistry","2014","53","24","12767","12777","10.1021/ic5016324","","x-ray","0.71073","MoKα","","0.0476","0.0245","","","0.0364","0.0417","","","","","","0.998","","","","has coordinates","239988","2020-10-21","18:00:00",""
"4350699","11.2259","0.0007","11.7912","0.0007","19.1815","0.0012","83.94","0.005","80.051","0.005","63.371","0.006","2234.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H72 Co N4 Si4 -","- C39 H72 Co N4 Si4 -","- C78 H144 Co2 N8 Si8 -","2","1","","Day, Benjamin M.; Pal, Kuntal; Pugh, Thomas; Tuck, Jessica; Layfield, Richard A.","Carbene rearrangements in three-coordinate N-heterocyclic carbene complexes of cobalt(II) bis(trimethylsilyl)amide.","Inorganic chemistry","2014","53","19","10578","10584","10.1021/ic501677k","","","0.71073","MoKα","","0.0754","0.0554","","","0.1163","0.1309","","","","","","1.081","","","","has coordinates","239990","2020-10-21","18:00:00",""
"4350700","10.96149","0.00016","10.96149","0.00016","32.7396","0.0008","90","","90","","90","","3933.8","0.13","150","0.1","150","0.1","","","","","","","","5","P 41","P 4w","76","","","","- C33 H60 Co N4 Si4 -","- C33 H60 Co N4 Si4 -","- C132 H240 Co4 N16 Si16 -","4","1","","Day, Benjamin M.; Pal, Kuntal; Pugh, Thomas; Tuck, Jessica; Layfield, Richard A.","Carbene rearrangements in three-coordinate N-heterocyclic carbene complexes of cobalt(II) bis(trimethylsilyl)amide.","Inorganic chemistry","2014","53","19","10578","10584","10.1021/ic501677k","","","0.71073","MoKα","","0.0584","0.0458","","","0.0732","0.0789","","","","","","1.014","","","","has coordinates","239990","2020-10-21","18:00:00",""
"4350701","11.3805","0.0004","12.0557","0.0004","12.0236","0.0004","90","","96.65","0.003","90","","1638.54","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H56 Co N4 Si4 -","- C23 H56 Co N4 Si4 -","- C46 H112 Co2 N8 Si8 -","2","1","","Day, Benjamin M.; Pal, Kuntal; Pugh, Thomas; Tuck, Jessica; Layfield, Richard A.","Carbene rearrangements in three-coordinate N-heterocyclic carbene complexes of cobalt(II) bis(trimethylsilyl)amide.","Inorganic chemistry","2014","53","19","10578","10584","10.1021/ic501677k","","","0.71073","MoKα","","0.0634","0.0529","","","0.0827","0.0912","","","","","","1.028","","","","has coordinates","239990","2020-10-21","18:00:00",""
"4350702","11.951","0.0007","16.794","0.002","23.1128","0.0012","90","","94.835","0.005","90","","4622.3","0.7","150.01","0.11","150.01","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H72 Co N4 Si4 -","- C39 H72 Co N4 Si4 -","- C156 H288 Co4 N16 Si16 -","4","1","","Day, Benjamin M.; Pal, Kuntal; Pugh, Thomas; Tuck, Jessica; Layfield, Richard A.","Carbene rearrangements in three-coordinate N-heterocyclic carbene complexes of cobalt(II) bis(trimethylsilyl)amide.","Inorganic chemistry","2014","53","19","10578","10584","10.1021/ic501677k","","","0.71073","MoKα","","0.0818","0.0494","","","0.1054","0.1203","","","","","","1.022","","","","has coordinates,has disorder","239990","2020-10-21","18:00:00",""
"4350703","11.2938","0.0007","23.6539","0.0017","11.9788","0.0007","90","","108.216","0.007","90","","3039.7","0.4","150","0.16","150","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H48 Co N4 Si4 -","- C19 H48 Co N4 Si4 -","- C76 H192 Co4 N16 Si16 -","4","1","","Day, Benjamin M.; Pal, Kuntal; Pugh, Thomas; Tuck, Jessica; Layfield, Richard A.","Carbene rearrangements in three-coordinate N-heterocyclic carbene complexes of cobalt(II) bis(trimethylsilyl)amide.","Inorganic chemistry","2014","53","19","10578","10584","10.1021/ic501677k","","","0.71073","MoKα","","0.0927","0.051","","","0.0918","0.1062","","","","","","1.035","","","","has coordinates","239990","2020-10-21","18:00:00",""
"4350704","12.5189","0.0007","12.7064","0.0007","13.0978","0.0008","109.121","0.002","102.053","0.002","90.025","0.002","1919.78","0.19","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H49 B Cl4 Co2 N10 O8 -","- C26 H49 B Cl4 Co2 N10 O8 -","- C52 H98 B2 Cl8 Co4 N20 O16 -","2","1","","Laga, Stephanie M.; Blakemore, James D.; Henling, Lawrence M.; Brunschwig, Bruce S.; Gray, Harry B.","Catalysis of proton reduction by a [BO4]-bridged dicobalt glyoxime.","Inorganic chemistry","2014","53","24","12668","12670","10.1021/ic501804h","","","0.71073","MoKα","","0.0533","0.0317","","","0.0716","0.0771","","","","","","1.284","","","","has coordinates","239991","2020-10-21","18:00:00",""
"4350721","7.858","0.005","10.508","0.005","11.554","0.005","112.221","0.005","95.625","0.005","105.097","0.005","831.8","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H13 Cd N O4 -","- C21 H13 Cd N O4 -","- C42 H26 Cd2 N2 O8 -","2","1","","Rambabu, Darsi; Pradeep, Chullikkattil P.; Dhir, Abhimanew","Nano dispersion of 3D Cd(ii) coordination polymer: synthetic blood plasma anticoagulant","Inorganic Chemistry Frontiers","2014","1","2","163","","10.1039/c3qi00013c","","","0.71073","MoKα","","0.0539","0.0506","","","0.1342","0.1371","","","","","","1.071","","","","has coordinates","244417","2020-10-21","18:00:00",""
"4350722","8.9319","0.0003","7.819","0.0002","11.6928","0.0005","90","","90","","90","","816.61","0.05","110","","110","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Mn N2 O6 -","- C3 H8 Mn N2 O6 -","- C12 H32 Mn4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0465","0.0248","","","0.0435","0.0461","","","","","","0.912","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350723","8.9503","0.0003","7.8214","0.0002","11.7189","0.0005","90","","90","","90","","820.37","0.05","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Mn N2 O6 -","- C3 H8 Mn N2 O6 -","- C12 H32 Mn4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.053","0.0243","","","0.0408","0.0438","","","","","","0.885","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350724","8.9448","0.0003","7.8403","0.0003","11.7669","0.0005","90","","90","","90","","825.21","0.05","290","","290","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Mn N2 O6 -","- C3 H8 Mn N2 O6 -","- C12 H32 Mn4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0659","0.0259","","","0.0426","0.0474","","","","","","0.885","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350725","8.8505","0.0003","11.8785","0.0004","7.924","0.0003","90","","90","","90","","833.06","0.05","400","","400","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 Mn N2 O6 -","- C3 H8 Mn N2 O6 -","- C12 H32 Mn4 N8 O24 -","4","0.5","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0374","0.0297","","","0.0779","0.083","","","","","","1.226","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350726","8.664","0.0003","7.7157","0.0002","11.4824","0.0004","90","","90","","90","","767.58","0.04","110","","110","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0452","0.023","","","0.0426","0.0457","","","","","","0.931","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350727","8.6806","0.0003","7.7235","0.0003","11.5056","0.0003","90","","90","","90","","771.39","0.04","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0481","0.0227","","","0.0402","0.0429","","","","","","0.942","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350728","8.6748","0.0003","7.7488","0.0003","11.5478","0.0004","90","","90","","90","","776.23","0.05","290","","290","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0553","0.0233","","","0.0395","0.0436","","","","","","0.893","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350729","8.5958","0.0003","11.6442","0.0005","7.8468","0.0003","90","","90","","90","","785.4","0.05","375","","375","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","0.5","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0422","0.0294","","","0.0727","0.0795","","","","","","1.154","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350730","7.9435","0.0002","13.8339","0.0004","7.3016","0.0002","90","","90","","90","","802.37","0.04","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0361","0.0244","","","0.0458","0.0474","","","","","","0.988","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350731","7.9415","0.0002","13.846","0.0005","7.3103","0.0002","90","","90","","90","","803.83","0.04","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0405","0.0263","","","0.049","0.0509","","","","","","0.965","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350732","7.9341","0.0003","13.8697","0.0007","7.3361","0.0003","90","","90","","90","","807.29","0.06","290","","290","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0497","0.0279","","","0.0497","0.0525","","","","","","0.955","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350733","7.9157","0.0003","7.9157","0.0003","7.4836","0.0003","90","","90","","120","","406.09","0.03","405","","405","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H8 Co N2 O6 -","- C3 H7.95 Co N1.98 O6 -","- C6 H15.9 Co2 N3.96 O12 -","2","0.333333","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0167","0.0157","","","0.0422","0.0432","","","","","","1.118","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350734","7.8999","0.0002","13.7505","0.0004","7.3829","0.0002","90","","90","","90","","801.99","0.04","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Mg N2 O6 -","- C3 H8 Mg N2 O6 -","- C12 H32 Mg4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0285","0.0249","","","0.0644","0.0652","","","","","","1.141","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350735","7.8928","0.0002","13.7693","0.0004","7.4007","0.0002","90","","90","","90","","804.3","0.04","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Mg N2 O6 -","- C3 H8 Mg N2 O6 -","- C12 H32 Mg4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.033","0.0283","","","0.0747","0.0761","","","","","","1.099","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350736","7.8888","0.0002","13.7799","0.0004","7.4295","0.0002","90","","90","","90","","807.64","0.04","292","","292","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Mg N2 O6 -","- C3 H8 Mg N2 O6 -","- C12 H32 Mg4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0387","0.0307","","","0.0808","0.0835","","","","","","1.052","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350737","7.8798","0.0003","7.8798","0.0003","7.5682","0.0004","90","","90","","120","","406.96","0.03","400","","400","","","","","","","","","5","P 63","P 6c","173","","","","- C3 H8 Mg N2 O6 -","- C3 H7.95 Mg N1.98 O6 -","- C6 H15.9 Mg2 N3.96 O12 -","2","0.333333","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0272","0.026","","","0.0698","0.0705","","","","","","1.117","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350738","19.801","0.007","20.162","0.007","27.225","0.009","97.544","0.005","100.609","0.005","111.627","0.005","9692","6","110","2","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C129 H79 N43 O28 Zn9 -","- C129 H79 N43 O28 Zn9 -","- C258 H158 N86 O56 Zn18 -","2","1","","Zhang, Muwei; Lu, Weigang; Li, Jian-Rong; Bosch, Mathieu; Chen, Ying-Pin; Liu, Tian-Fu; Liu, Yangyang; Zhou, Hong-Cai","Design and synthesis of nucleobase-incorporated metal‒organic materials","Inorganic Chemistry Frontiers","2014","1","2","159","","10.1039/c3qi00042g","","","0.71073","MoKα","","0.0836","0.0492","","","0.1221","0.1321","","","","","","1.003","","","","has coordinates","244419","2020-10-21","18:00:00",""
"4350739","27.99","0.003","28.102","0.003","28.303","0.005","109.319","0.002","106.426","0.002","107.182","0.001","18196","4","110","2","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C184 H156 Cu12 N28 O84 -","- C184 H156 Cu12 N28 O84 -","- C368 H312 Cu24 N56 O168 -","2","1","","Zhang, Muwei; Lu, Weigang; Li, Jian-Rong; Bosch, Mathieu; Chen, Ying-Pin; Liu, Tian-Fu; Liu, Yangyang; Zhou, Hong-Cai","Design and synthesis of nucleobase-incorporated metal‒organic materials","Inorganic Chemistry Frontiers","2014","1","2","159","","10.1039/c3qi00042g","","","0.71073","MoKα","","0.1691","0.1014","","","0.2622","0.2841","","","","","","1.006","","","","has coordinates,has disorder","244419","2020-10-21","18:00:00",""
"4350740","8.998","0.0009","7.7962","0.0009","18.1677","0.0018","90","","101.649","0.01","90","","1248.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Co2 N6 O7 -","- C6 H6 Co2 N6 O7 -","- C24 H24 Co8 N24 O28 -","4","1","","Zou, Ji-Yong; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Spin canting and metamagnetism in 3D pillared-layer homospin cobalt(ii) molecular magnetic materials constructed via a mixed ligands approach","Inorganic Chemistry Frontiers","2014","1","3","242","","10.1039/c3qi00045a","","","0.71073","MoKα","","0.0828","0.0634","","","0.1335","0.1427","","","","","","1.104","","","","has coordinates","244420","2020-10-21","18:00:00",""
"4350741","11.4527","0.0014","11.6239","0.0009","11.7754","0.001","64.825","0.008","81.406","0.009","72.316","0.009","1351.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H37.5 Co3 N12 O14.75 -","- C38 H24 Co3 N12 O14.75 -","- C38 H24 Co3 N12 O14.75 -","1","0.5","","Zou, Ji-Yong; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Spin canting and metamagnetism in 3D pillared-layer homospin cobalt(ii) molecular magnetic materials constructed via a mixed ligands approach","Inorganic Chemistry Frontiers","2014","1","3","242","","10.1039/c3qi00045a","","","0.71073","MoKα","","0.1183","0.0866","","","0.2442","0.2751","","","","","","1.088","","","","has coordinates,has disorder","244420","2020-10-21","18:00:00",""
"4350742","7.537","0.006","19.877","0.016","6.662","0.005","90","","90","","90","","998.1","1.4","333","2","333","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H12 Cd Cl3 N -","- C5 H12 Cd Cl3 N -","- C20 H48 Cd4 Cl12 N4 -","4","0.25","","Zhang, Yi; Ye, Heng-Yun; Zhang, Wen; Xiong, Ren-Gen","Room-temperature ABX3-typed molecular ferroelectric: [C5H9‒NH3][CdCl3]","Inorganic Chemistry Frontiers","2014","1","1","118","","10.1039/c3qi00058c","","","0.71073","MoKα","","0.0289","0.0237","","","0.0571","0.0599","","","","","","1.078","","","","has coordinates","244421","2020-10-21","18:00:00",""
"4350743","7.533","0.01","19.4","0.02","6.753","0.009","90","","93.47","0.02","90","","985","2","233","2","233","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H12 Cd Cl3 N -","- C5 H12 Cd Cl3 N -","- C20 H48 Cd4 Cl12 N4 -","4","1","","Zhang, Yi; Ye, Heng-Yun; Zhang, Wen; Xiong, Ren-Gen","Room-temperature ABX3-typed molecular ferroelectric: [C5H9‒NH3][CdCl3]","Inorganic Chemistry Frontiers","2014","1","1","118","","10.1039/c3qi00058c","","","0.71073","MoKα","","0.0342","0.0294","","","0.0728","0.0964","","","","","","1.128","","","","has coordinates","244421","2020-10-21","18:00:00",""
"4350744","5.7782","0.0002","20.4081","0.0008","16.1009","0.0008","90","","94.674","0.001","90","","1892.34","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Ag2 N6 -","- C20 H17 Ag2 N6 -","- C80 H68 Ag8 N24 -","4","1","","Li, Fang; Lin, Rui-Biao; Wei, Yong-Sheng; Liao, Pei-Qin; Bai, Jie; Xue, Wei; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Metal-ion controlled solid-state reactivity and photoluminescence in two isomorphous coordination polymers","Inorganic Chemistry Frontiers","2014","1","2","172","","10.1039/c3qi00061c","","","0.71073","MoKα","","0.0374","0.0304","","","0.0947","0.1096","","","","","","1.005","","","","has coordinates","244422","2020-10-21","18:00:00",""
"4350745","5.7359","0.0005","20.4488","0.0017","15.4299","0.0013","90","","94.154","0.001","90","","1805.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cu2 N6 -","- C20 H17 Cu2 N6 -","- C80 H68 Cu8 N24 -","4","1","","Li, Fang; Lin, Rui-Biao; Wei, Yong-Sheng; Liao, Pei-Qin; Bai, Jie; Xue, Wei; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Metal-ion controlled solid-state reactivity and photoluminescence in two isomorphous coordination polymers","Inorganic Chemistry Frontiers","2014","1","2","172","","10.1039/c3qi00061c","","","0.71073","MoKα","","0.0453","0.0334","","","0.0813","0.1117","","","","","","1.037","","","","has coordinates","244422","2020-10-21","18:00:00",""
"4350746","24.1319","0.001","24.1319","0.001","43.5952","0.0018","90","","90","","120","","21986.3","1.6","120","","120","","","","","","","","","5","R -3 :H","-R 3","148","C102H108N6O12(Me2SO)11(H2O)3","","","- C124 H180 N6 O26 S11 -","- C123.96 H179.88 N6 O25.99 S10.98 -","- C743.76 H1079.28 N36 O155.94 S65.88 -","6","0.333333","","Akine, Shigehisa; Miyashita, Masato; Piao, Shunjin; Nabeshima, Tatsuya","Perfect encapsulation of a guanidinium ion in a helical trinickel(ii) metallocryptand for efficient regulation of the helix inversion rate","Inorg. Chem. Front.","2014","1","1","53","","10.1039/C3QI00067B","","","0.71073","MoKα","","0.1155","0.0962","","","0.2112","0.2262","","","","","","1.025","","","","has coordinates,has disorder","244423","2020-10-21","18:00:00",""
"4350747","17.168","0.0006","19.06","0.0007","25.3558","0.0009","67.974","0.002","83.133","0.002","82.959","0.002","7608.9","0.5","120","","120","","","","","","","","","7","P -1","-P 1","2","[LNi3]_3DMSO_H2O_5DCM_4cyclohex","","","- C137 H180 Cl10 N6 Ni3 O16 S3 -","- C137.01 H180.02 Cl10.02 N6 Ni3 O16 S3 -","- C274.02 H360.04 Cl20.04 N12 Ni6 O32 S6 -","2","1","","Akine, Shigehisa; Miyashita, Masato; Piao, Shunjin; Nabeshima, Tatsuya","Perfect encapsulation of a guanidinium ion in a helical trinickel(ii) metallocryptand for efficient regulation of the helix inversion rate","Inorg. Chem. Front.","2014","1","1","53","","10.1039/C3QI00067B","","","0.71073","MoKα","","0.156","0.0987","","","0.2088","0.2444","","","","","","1.085","","","","has coordinates,has disorder","244423","2020-10-21","18:00:00",""
"4350748","17.831","0.003","21.045","0.004","24.615","0.004","106.808","0.003","108.969","0.003","91.349","0.003","8291","3","120","","120","","","","","","","","","7","P -1","-P 1","2","[LNi3]_2(CH6N3Cl)_1.5CHCl3_1.8DMSO_6.3EtOAc_4H2O","","","- C134.3 H184.7 Cl6.5 N12 Ni3 O30.4 S1.8 -","- C134.3 H176.7 Cl6.5 N12 Ni3 O30.4 S1.8 -","- C268.6 H353.4 Cl13 N24 Ni6 O60.8 S3.6 -","2","1","","Akine, Shigehisa; Miyashita, Masato; Piao, Shunjin; Nabeshima, Tatsuya","Perfect encapsulation of a guanidinium ion in a helical trinickel(ii) metallocryptand for efficient regulation of the helix inversion rate","Inorg. Chem. Front.","2014","1","1","53","","10.1039/C3QI00067B","","","0.71073","MoKα","","0.2038","0.0859","","","0.1769","0.2134","","","","","","1.177","","","","has coordinates,has disorder","244423","2020-10-21","18:00:00",""
"4350749","14.2919","0.0003","16.3158","0.0004","19.0083","0.0004","90","","97.809","0.002","90","","4391.32","0.17","110","","110","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H43 Cl N4 O2 P2 Ru S -","- C48 H43 Cl N4 O2 P2 Ru S -","- C192 H172 Cl4 N16 O8 P8 Ru4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Vaishnavi, E.; Rueffer, T.; Lang, H.; Poornima, P.; Renganathan, R.; Vijaya Padma, V.; Natarajan, K.","Synthesis, structure, DNA/protein binding and in vitro cytotoxicity of new ruthenium metallates","Inorganic Chemistry Frontiers","2014","1","4","311","","10.1039/c3qi00070b","","","0.71073","MoKα","","0.0599","0.0345","","","0.0703","0.0737","","","","","","0.919","","","","has coordinates,has disorder","244424","2020-10-21","18:00:00",""
"4350750","14.2779","0.0005","18.0273","0.0006","15.6331","0.0006","90","","103.194","0.004","90","","3917.6","0.3","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H39 N3 O2 P2 Ru S -","- C46 H39 N3 O2 P2 Ru S -","- C184 H156 N12 O8 P8 Ru4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Vaishnavi, E.; Rueffer, T.; Lang, H.; Poornima, P.; Renganathan, R.; Vijaya Padma, V.; Natarajan, K.","Synthesis, structure, DNA/protein binding and in vitro cytotoxicity of new ruthenium metallates","Inorganic Chemistry Frontiers","2014","1","4","311","","10.1039/c3qi00070b","","","0.71073","MoKα","","0.0416","0.0282","","","0.0633","0.0652","","","","","","0.92","","","","has coordinates","244424","2020-10-21","18:00:00",""
"4350751","8.3191","0.0002","12.0094","0.0002","13.376","0.0002","100.296","0.001","96.127","0.001","103.903","0.001","1260.55","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H39 Cl O2 P2 Pd -","- C22 H39 Cl O2 P2 Pd -","- C44 H78 Cl2 O4 P4 Pd2 -","2","1","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","1.54178","CuKα","","0.0301","0.0284","","","0.0755","0.0766","","","","","","1.05","","","","has coordinates","244425","2020-10-21","18:00:00",""
"4350752","21.578","0.002","21.578","0.002","11.5095","0.0013","90","","90","","90","","5358.9","0.9","150","2","150","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C26 H39 Cl O2 P2 Pd -","- C26 H39 Cl O2 P2 Pd -","- C208 H312 Cl8 O16 P16 Pd8 -","8","0.5","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","0.8856","synchrotron","","0.0313","0.0298","","","0.0756","0.0763","","","","","","1.049","","","","has coordinates","244425","2020-10-21","18:00:00",""
"4350753","16.4881","0.0002","10.6035","0.0001","15.7094","0.0002","90","","114.927","0.001","90","","2490.65","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 O2 P2 Pd -","- C22 H40 O2 P2 Pd -","- C88 H160 O8 P8 Pd4 -","4","1","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","1.54178","CuKα","","0.0308","0.027","","","0.0688","0.071","","","","","","1.043","","","","has coordinates","244425","2020-10-21","18:00:00",""
"4350754","12.2605","0.0002","17.3087","0.0004","12.3482","0.0002","90","","99.811","0.001","90","","2582.13","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 O2 P2 Pd -","- C26 H40 O2 P2 Pd -","- C104 H160 O8 P8 Pd4 -","4","1","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","1.54178","CuKα","","0.0458","0.0339","","","0.0815","0.0876","","","","","","1.047","","","","has coordinates,has disorder","244425","2020-10-21","18:00:00",""
"4350755","26.224","0.003","15.8839","0.0018","11.0864","0.0012","90","","96.965","0.0016","90","","4583.8","0.9","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H44 O2 P2 Pd -","- C30 H44 O2 P2 Pd -","- C180 H264 O12 P12 Pd6 -","6","3","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","0.7749","synchrotron","","0.054","0.0389","","","0.0861","0.0926","","","","","","1.023","","","","has coordinates,has disorder","244425","2020-10-21","18:00:00",""
"4350756","7.8023","0.0002","14.4839","0.0004","12.0669","0.0003","90","","101.659","0.002","90","","1335.52","0.06","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H38 O2 P2 Pd -","- C26 H38 O2 P2 Pd -","- C52 H76 O4 P4 Pd2 -","2","0.5","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","1.54178","CuKα","","0.0318","0.0273","","","0.0693","0.072","","","","","","1.055","","","","has coordinates","244425","2020-10-21","18:00:00",""
"4350757","8.0315","0.0002","10.3766","0.0002","14.2789","0.0003","100.667","0.001","103.372","0.001","101.595","0.001","1100.12","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H34 O2 P2 Pd -","- C19 H34 O2 P2 Pd -","- C38 H68 O4 P4 Pd2 -","2","1","","Adhikary, Anubendu; Schwartz, Jason R.; Meadows, Lonnie M.; Krause, Jeanette A.; Guan, Hairong","Interaction of alkynes with palladium POCOP-pincer hydride complexes and its unexpected relation to palladium-catalyzed hydrogenation of alkynes","Inorg. Chem. Front.","2014","1","1","71","","10.1039/C3QI00073G","","","1.54178","CuKα","","0.0347","0.0315","","","0.0803","0.0827","","","","","","1.057","","","","has coordinates","244425","2020-10-21","18:00:00",""
"4350758","29.727","0.006","27.89","0.006","20.138","0.004","90","","95.33","0.03","90","","16624","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H72 Fe12 La4 O62 S24 -","- C120 H72 Fe12 La4 O62 S24 -","- C480 H288 Fe48 La16 O248 S96 -","4","0.5","","Liu, Sui-Jun; Zeng, Yong-Fei; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang; Bu, Xian-He","Tuning the magnetic behaviors in [FeIII12LnIII4] clusters with aromatic carboxylate ligands","Inorg. Chem. Front.","2014","1","2","200","","10.1039/C3QI00083D","","","0.71073","MoKα","","0.1963","0.1216","","","0.253","0.2897","","","","","","1.098","","","","has coordinates","244426","2020-10-21","18:00:00",""
"4350759","17.441","0.004","18.664","0.004","28.858","0.006","107.129","0.003","91.45","0.001","115.983","0.004","7938","3","113","","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C244 H138 Fe24 N5 O124 S46 Sm8 -","- C244 H138 Fe24 N5 O124 S46 Sm8 -","- C244 H138 Fe24 N5 O124 S46 Sm8 -","1","0.5","","Liu, Sui-Jun; Zeng, Yong-Fei; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang; Bu, Xian-He","Tuning the magnetic behaviors in [FeIII12LnIII4] clusters with aromatic carboxylate ligands","Inorg. Chem. Front.","2014","1","2","200","","10.1039/C3QI00083D","","","0.71073","MoKα","","0.0995","0.0888","","","0.2369","0.2472","","","","","","1.023","","","","has coordinates","244426","2020-10-21","18:00:00",""
"4350760","29.688","0.006","27.889","0.006","20.013","0.004","90","","95.96","0.03","90","","16481","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H76 Fe12 Gd4 O62 S24 -","- C120 H72 Fe12 Gd4 O62 S24 -","- C480 H288 Fe48 Gd16 O248 S96 -","4","0.5","","Liu, Sui-Jun; Zeng, Yong-Fei; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang; Bu, Xian-He","Tuning the magnetic behaviors in [FeIII12LnIII4] clusters with aromatic carboxylate ligands","Inorg. Chem. Front.","2014","1","2","200","","10.1039/C3QI00083D","","","0.71073","MoKα","","0.153","0.1023","","","0.2185","0.2437","","","","","","1.105","","","","has coordinates","244426","2020-10-21","18:00:00",""
"4350761","29.63","0.006","27.93","0.006","19.955","0.004","90","","96.1","0.03","90","","16421","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H76 Dy4 Fe12 O62 S24 -","- C120 H72 Dy4 Fe12 O62 S24 -","- C480 H288 Dy16 Fe48 O248 S96 -","4","0.5","","Liu, Sui-Jun; Zeng, Yong-Fei; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang; Bu, Xian-He","Tuning the magnetic behaviors in [FeIII12LnIII4] clusters with aromatic carboxylate ligands","Inorg. Chem. Front.","2014","1","2","200","","10.1039/C3QI00083D","","","0.71073","MoKα","","0.1562","0.1024","","","0.1924","0.2149","","","","","","1.138","","","","has coordinates","244426","2020-10-21","18:00:00",""
"4350762","17.982","0.004","19.269","0.004","19.494","0.004","60.62","0.03","68.77","0.03","74.31","0.03","5450","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C190 H108 Fe12 La4 N0 O82 -","- C190 H108 Fe12 La4 O82 -","- C190 H108 Fe12 La4 O82 -","1","0.5","","Liu, Sui-Jun; Zeng, Yong-Fei; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang; Bu, Xian-He","Tuning the magnetic behaviors in [FeIII12LnIII4] clusters with aromatic carboxylate ligands","Inorg. Chem. Front.","2014","1","2","200","","10.1039/C3QI00083D","","","0.71073","MoKα","","0.2064","0.1045","","","0.2277","0.2815","","","","","","1.055","","","","has coordinates","244426","2020-10-21","18:00:00",""
"4350763","17.79","0.003","18.955","0.003","19.512","0.004","118.971","0.011","95.426","0.017","106.737","0.013","5293","2","113","","386","2","","","","","","","","6","P -1","-P 1","2","","","","- C200 H184 Fe12 N4 O86 Sm4 -","- C199 H177 Fe12 N4 O86 Sm4 -","- C199 H177 Fe12 N4 O86 Sm4 -","1","0.5","","Liu, Sui-Jun; Zeng, Yong-Fei; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang; Bu, Xian-He","Tuning the magnetic behaviors in [FeIII12LnIII4] clusters with aromatic carboxylate ligands","Inorg. Chem. Front.","2014","1","2","200","","10.1039/C3QI00083D","","","0.71073","MoKα","","0.0581","0.0533","","","0.1623","0.1667","","","","","","1.055","","","","has coordinates","244426","2020-10-21","18:00:00",""
"4350764","14.3524","0.0007","14.3524","0.0007","19.1378","0.0008","90","","90","","120","","3414.1","0.3","293","2","296","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C33 H31.98 N12 O25 Sm2 -","- C33 H31.98 N12 O25 Sm2 -","- C99 H95.94 N36 O75 Sm6 -","3","0.333333","","Shu, Yu-Bo; Tang, Xiao-Liang; Liu, Wei-Sheng","Sm and Eu(iii) lanthanide triple helicate cages based on N,N′-methylene-bis(pyridin-4-one)","Inorg. Chem. Front.","2014","1","3","226","","10.1039/C3QI00089C","","","0.71073","MoKα","","0.0233","0.0209","","","0.0383","0.0389","","","","","","0.983","","","","has coordinates","244427","2020-10-21","18:00:00",""
"4350765","14.359","0.002","14.359","0.002","19.115","0.004","90","","90","","120","","3413.1","1","296","2","296","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C33 H31.98 Eu2 N12 O25 -","- C33 H31.98 Eu2 N12 O25 -","- C99 H95.94 Eu6 N36 O75 -","3","0.333333","","Shu, Yu-Bo; Tang, Xiao-Liang; Liu, Wei-Sheng","Sm and Eu(iii) lanthanide triple helicate cages based on N,N′-methylene-bis(pyridin-4-one)","Inorg. Chem. Front.","2014","1","3","226","","10.1039/C3QI00089C","","","0.71073","MoKα","","0.0822","0.0661","","","0.1345","0.143","","","","","","1.096","","","","has coordinates","244427","2020-10-21","18:00:00",""
"4350766","44.5471","0.0008","22.4094","0.0005","22.6423","0.0004","90","","94.056","0.002","90","","22546.6","0.8","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C222 H132 Cl8 N16 O9 Y2 -","- C222 H132 Cl8 N16 O9 Y2 -","- C888 H528 Cl32 N64 O36 Y8 -","4","1","","Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang","Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs","Inorganic Chemistry Frontiers","2014","1","2","167","","10.1039/c3qi00097d","","","1.54184","CuKα","","0.1337","0.1255","","","0.3459","0.3718","","","","","","1.156","","","","has coordinates","244428","2020-10-21","18:00:00",""
"4350767","44.5558","0.0012","22.3269","0.0015","22.6969","0.0006","90","","94.091","0.002","90","","22521.2","1.7","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C200 H104 Cl8 Dy2 N16 O8 -","- C200 H104 Cl8 Dy2 N16 O8 -","- C800 H416 Cl32 Dy8 N64 O32 -","4","1","","Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang","Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs","Inorganic Chemistry Frontiers","2014","1","2","167","","10.1039/c3qi00097d","","","1.54184","CuKα","","0.2652","0.1572","","","0.3444","0.4655","","","","","","1.451","","","","has coordinates","244428","2020-10-21","18:00:00",""
"4350768","44.5179","0.0006","22.3153","0.0003","22.6523","0.0002","90","","94.209","0.001","90","","22442.8","0.5","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C242 H151 Cl8 N16 O8 Y2 -","- C242 H151 Cl8 N16 O8 Y2 -","- C968 H604 Cl32 N64 O32 Y8 -","4","1","","Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang","Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs","Inorganic Chemistry Frontiers","2014","1","2","167","","10.1039/c3qi00097d","","","1.54178","CuKα","","0.109","0.1046","","","0.3018","0.316","","","","","","1.211","","","","has coordinates","244428","2020-10-21","18:00:00",""
"4350769","44.4004","0.001","22.26","0.0006","22.6346","0.0004","90","","94.147","0.002","90","","22312.4","0.9","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C201 H108 Cl8 Dy2 N16 O9 -","- C201 H106 Cl9 Dy2 N16 O9 -","- C804 H424 Cl36 Dy8 N64 O36 -","4","1","","Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang","Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs","Inorganic Chemistry Frontiers","2014","1","2","167","","10.1039/c3qi00097d","","","1.54184","CuKα","","0.1388","0.1141","","","0.3094","0.3329","","","","","","1.064","","","","has coordinates,has disorder","244428","2020-10-21","18:00:00",""
"4350812","29.047","0.005","13.23","0.005","26.32","0.005","90","","91.727","0.005","90","","10110","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H48 Ag4 N16 O48 Si W12 -","- C88 H48 Ag4 N16 O48 Si W12 -","- C352 H192 Ag16 N64 O192 Si4 W48 -","4","0.5","","Wang, Shuhong; Sun, Zhiyao; Zhang, Chunjing; Ni, Liang; Wang, Cheng; Gao, Yang; Lv, Lili; Chang, Jinhui; Hao, Wenhui","Assembly of a POM-based hybrid compound consisting of both helical and interdigitated motifs","Inorganic Chemistry Communications","2014","41","","47","50","10.1016/j.inoche.2013.12.014","","","0.71069","MoKα","","0.0747","0.0304","","","0.0289","0.0322","","","","","","0.801","","","","has coordinates","272317","2022-01-28","08:27:05",""
"4350816","21.1341","0.0003","8.0275","0.0001","14.9706","0.0002","90","0.0008","133.318","0.001","90","","1847.86","0.05","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Cu N2 O2 S4 -","- C12 H26 Cu N2 O2 S4 -","- C48 H104 Cu4 N8 O8 S16 -","4","0.5","","Johnson, Andrew L.; Hill, Michael S.; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Sudlow, Anna L.","The first crystallographically-characterised Cu(II) xanthate","Inorganic Chemistry Communications","2014","49","","8","11","10.1016/j.inoche.2014.09.003","","","0.71073","MoKα","","0.0304","0.027","","","0.066","0.0679","","","","","","1.119","","","","has coordinates","272320","2022-01-28","09:22:55",""
"4509833","9.8241","0.0001","9.8241","0.0001","37.0024","0.0007","90","","90","","120","","3092.76","0.07","150","","150","","","","","","","","","4","P 65","P 65","170","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C132 H144 N12 O36 -","6","1","","Barber, David M.; Duriš, Andrej; Thompson, Amber L.; Sanganee, Hitesh J.; Dixon, Darren J.","One-Pot Asymmetric Nitro-Mannich/Hydroamination Cascades for the Synthesis of Pyrrolidine Derivatives: Combining Organocatalysis and Gold Catalysis.","ACS catalysis","2014","4","2","634","638","10.1021/cs401008v","","","1.5418","CuKα","","0.0282","0.0267","","0.0661","0.0648","0.0661","","","","","","1.0207","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4509834","13.489","0.0014","19.154","0.002","12.366","0.0012","90","","116.81","0.003","90","","2851.5","0.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl N O4 S -","- C34 H30 Cl N O4 S -","- C136 H120 Cl4 N4 O16 S4 -","4","1","","Li, Erqing; Jia, Penghao; Liang, Ling; Huang, You","Phosphine-Catalyzed Sequential [2 +3] and [3 + 2] Annulation Domino Reaction of γ-Benzyl-Substituted Allenoates with α,β-Unsaturated Ketimines To Construct aza-Bicyclo[3,3,0]octane Derivatives","ACS Catalysis","2014","4","2","600","","10.1021/cs401161q","","","0.71075","MoKα","","0.0467","0.034","","","0.0821","0.0867","","","","","","0.995","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509835","9.0412","0.0004","31.3975","0.0015","12.3426","0.0006","90","","96.356","0.001","90","","3482.2","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7 Cp*Ir(Gly)I in manuscript","","","- C15.5 H19 I Ir N O2 -","- C15.5 H19 I Ir N O2 -","- C124 H152 I8 Ir8 N8 O16 -","8","2","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.066","0.0426","","","0.0721","0.0784","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509836","9.1576","0.0006","11.2916","0.0008","16.2687","0.0011","99.653","0.001","91.159","0.001","91.704","0.001","1657.2","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","9 Cp*Ir(Aib)Cl in manuscript","","","- C14 H23 Cl Ir N O2 -","- C14 H23 Cl Ir N O2 -","- C56 H92 Cl4 Ir4 N4 O8 -","4","2","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0553","0.0345","","","0.0612","0.0667","","","","","","1.035","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509837","12.8738","0.0018","16.382","0.002","26.73","0.004","90","","90","","90","","5637.3","1.3","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","10 [Cp*Ir(Gly)]3(OTf)3 in manuscript","","","- C42 H63 F9 Ir3 N3 O16 S3 -","- C42 H63 F9 Ir3 N3 O16 S3 -","- C168 H252 F36 Ir12 N12 O64 S12 -","4","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0571","0.0504","","","0.1267","0.1339","","","","","","1.02","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509838","26.456","0.002","8.5874","0.0007","21.4517","0.0018","90","","121.888","0.001","90","","4138.1","0.6","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","11 [Cp*Ir(Gly)MeCN]OTf in manuscript","","","- C15 H22 F3 Ir N2 O5 S -","- C15 H22 F3 Ir N2 O5 S -","- C120 H176 F24 Ir8 N16 O40 S8 -","8","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0465","0.0306","","","0.0564","0.061","","","","","","1.041","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509839","8.9727","0.0006","10.0097","0.0007","10.1814","0.0007","75.441","0.001","78.89","0.001","68.698","0.001","819.37","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","12 [Cp*Ir(Aib)NH3]Cl in manuscript","","","- C14 H26 Cl Ir N2 O2 -","- C14 H26 Cl Ir N2 O2 -","- C28 H52 Cl2 Ir2 N4 O4 -","2","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0301","0.0245","","","0.0522","0.0543","","","","","","1.051","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509840","10.3281","0.0006","13.3359","0.0007","24.1586","0.0014","90","","94.1269","0.0014","90","","3318.8","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","13 [Cp*Ir(NH3)3]Cl2 in manuscript","","","- C10.5 H26 Cl2 Ir N3 O0.5 -","- C10.5 H26 Cl2 Ir N3 O0.5 -","- C84 H208 Cl16 Ir8 N24 O4 -","8","2","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0511","0.0383","","","0.0727","0.0823","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509841","8.3622","0.0013","9.0389","0.0014","9.9889","0.0016","90","","105.24","0.004","90","","728.5","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","14 in manuscript","","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0636","0.0477","","","0.1039","0.1138","","","","","","1.11","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509842","9.915","0.002","11.919","0.002","20.194","0.004","97.563","0.003","91.49","0.003","112.378","0.003","2180","0.7","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 Cl6 O6 P2 Ru -","- C42 H34 Cl6 O6 P2 Ru -","- C84 H68 Cl12 O12 P4 Ru2 -","2","1","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.072","0.0447","","","0.0802","0.1004","","","","","","1.047","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509843","16.3958","0.0009","17.5531","0.0009","17.6055","0.0009","101.46","0.001","113.756","0.001","107.585","0.001","4111.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H64 Na O30 P3 Ru6 -","- C76 H64 Na O30 P3 Ru6 -","- C152 H128 Na2 O60 P6 Ru12 -","2","1","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0401","0.0289","","","0.0635","0.0684","","","","","","1.084","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509844","17.7301","0.0006","12.3659","0.0004","18.3431","0.0006","90","","102.999","0.001","90","","3918.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.2 H34 Cl0.3 O2.71 P2 Ru -","- C42.206 H34 Cl0.294 O2.706 P2 Ru -","- C168.824 H136 Cl1.176 O10.824 P8 Ru4 -","4","1","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0739","0.0566","","","0.1579","0.1704","","","","","","1.132","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509845","19.0814","0.0017","10.8848","0.0009","15.6495","0.0014","90","","90","","90","","3250.4","0.5","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H32 O6 P2 Ru -","- C39 H32 O6 P2 Ru -","- C156 H128 O24 P8 Ru4 -","4","0.5","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0564","0.0354","","","0.0694","0.073","","","","","","1.009","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509846","13.2898","0.0008","19.8988","0.0012","14.5203","0.0008","90","","94.197","0.001","90","","3829.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 O8 P2 Ru2 -","- C42 H32 O8 P2 Ru2 -","- C168 H128 O32 P8 Ru8 -","4","1","","Czaun, Miklos; Goeppert, Alain; Kothandaraman, Jotheeswari; May, Robert B.; Haiges, Ralf; Prakash, G. K. Surya; Olah, George A.","Formic Acid As a Hydrogen Storage Medium: Ruthenium-Catalyzed Generation of Hydrogen from Formic Acid in Emulsions","ACS Catalysis","2014","4","1","311","","10.1021/cs4007974","","","0.71073","MoKα","","0.0339","0.0236","","","0.0497","0.0534","","","","","","1.029","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509847","9.508","0.002","9.679","0.003","10.314","0.003","82.54","0.03","74.65","0.02","73.17","0.02","874.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Cl F N2 O -","- C19 H22 Cl F N2 O -","- C38 H44 Cl2 F2 N4 O2 -","2","1","","Gu, Zheng-Yang; Zhu, Tong-Hao; Cao, Jia-Jia; Xu, Xiao-Ping; Wang, Shun-Yi; Ji, Shun-Jun","Palladium-Catalyzed Cascade Reactions of Isocyanides with Enaminones: Synthesis of 4-Aminoquinoline Derivatives","ACS Catalysis","2014","4","1","49","","10.1021/cs400904t","","","0.7107","MoKα","","0.1044","0.0581","","","0.1542","0.1904","","","","","","1.028","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509848","16.9193","0.0008","10.2687","0.0005","14.6199","0.0006","90","","90.055","0.002","90","","2540","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 N2 O S -","- C33 H26 N2 O S -","- C132 H104 N8 O4 S4 -","4","1","","Venkateswararao, A.; Thomas, K. R. Justin; Lee, Chuan-Pei; Li, Chun-Ting; Ho, Kuo-Chuan","Organic Dyes Containing Carbazole as Donor and π-Linker: Optical, Electrochemical, and Photovoltaic Properties.","ACS applied materials & interfaces","2014","6","4","2528","2539","10.1021/am404948w","","","0.71073","MoKα","","0.0762","0.0448","","","0.12","0.1441","","","","","","1.031","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509849","6.9547","0.0011","8.5168","0.0014","11.8751","0.0018","82.715","0.013","78.561","0.013","67.088","0.016","634.06","0.19","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 B F2 O4 -","- C12 H13 B F2 O4 -","- C24 H26 B2 F4 O8 -","2","1","","Zhang, Xuepeng; Xie, Tongqing; Cui, Minxin; Yang, Li; Sun, Xingxing; Jiang, Jun; Zhang, Guoqing","General design strategy for aromatic ketone-based single-component dual-emissive materials.","ACS applied materials & interfaces","2014","6","4","2279","2284","10.1021/am405209w","","","0.71073","MoKα","","0.0811","0.0538","","","0.128","0.152","","","","","","1.052","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509850","4.964","0.004","23.85","0.018","10.416","0.008","90","","101.338","0.009","90","","1209.1","1.6","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F O4 -","- C14 H11 F O4 -","- C56 H44 F4 O16 -","4","1","","Yu, Guanping; Kuo, David; Shoham, Menachem; Viswanathan, Rajesh","Combinatorial Synthesis and in Vitro Evaluation of a Biaryl Hydroxyketone Library as Antivirulence Agents against MRSA.","ACS combinatorial science","2014","16","2","85","91","10.1021/co400142t","","","0.71073","MoKα","","0.0799","0.0484","","","0.1147","0.1331","","","","","","1.014","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509851","26.329","0.006","6.6241","0.0015","7.3619","0.0017","90","","90","","90","","1284","0.5","180","2","180","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Yu, Guanping; Kuo, David; Shoham, Menachem; Viswanathan, Rajesh","Combinatorial Synthesis and in Vitro Evaluation of a Biaryl Hydroxyketone Library as Antivirulence Agents against MRSA.","ACS combinatorial science","2014","16","2","85","91","10.1021/co400142t","","","0.71073","MoKα","","0.0464","0.0381","","","0.0923","0.0983","","","","","","1.043","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509852","13.1181","0.0008","18.3396","0.0011","21.5614","0.0013","90","","101.558","0.001","90","","5082.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 N5 Ni4 O14 -","- C37 H27 N5 Ni4 O14 -","- C148 H108 N20 Ni16 O56 -","4","1","","Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier","Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks","Crystal Growth & Design","2014","14","2","716","","10.1021/cg401590w","","","0.71073","","","0.0967","0.0576","","","0.1772","0.2113","","","","","","1.012","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509853","13.0294","0.0011","18.5533","0.0014","22.0018","0.0017","90","","102.837","0.0016","90","","5185.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","JMC179verdes","","","- C38 H29 N5 Ni4 O15 -","- C38 H29 N5 Ni4 O15 -","- C152 H116 N20 Ni16 O60 -","4","1","","Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier","Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks","Crystal Growth & Design","2014","14","2","716","","10.1021/cg401590w","","","0.71073","","","0.1615","0.0824","","","0.2389","0.3001","","","","","","1.015","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509854","13.243","0.0006","18.2511","0.0008","21.8973","0.001","90","","104.174","0.001","90","","5131.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","JMC180ver","","","- C39 H31 N5 Ni4 O16 -","- C39 H31 N5 Ni4 O16 -","- C156 H124 N20 Ni16 O64 -","4","1","","Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier","Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks","Crystal Growth & Design","2014","14","2","716","","10.1021/cg401590w","","","0.71073","","","0.0714","0.0531","","","0.1869","0.2049","","","","","","1.037","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509855","13.1308","0.0011","18.3853","0.0014","21.7336","0.0018","90","","101.981","0.002","90","","5132.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H35 N5 Ni4 O17 -","- C41 H35 N5 Ni4 O17 -","- C164 H140 N20 Ni16 O68 -","4","1","","Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier","Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks","Crystal Growth & Design","2014","14","2","716","","10.1021/cg401590w","","","0.71073","MoKα","","0.1182","0.0684","","","0.1864","0.2211","","","","","","1.047","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509856","13.0531","0.001","18.5575","0.0013","22.1139","0.0016","90","","103.263","0.001","90","","5213.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TV95ver","","","- C40 H33 N5 Ni4 O17 -","- C40 H33 N5 Ni4 O17 -","- C160 H132 N20 Ni16 O68 -","4","1","","Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier","Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks","Crystal Growth & Design","2014","14","2","716","","10.1021/cg401590w","","","0.71073","","","0.1593","0.088","","","0.2407","0.3078","","","","","","1.021","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509857","8.9303","0.0003","17.7866","0.0006","7.9821","0.0003","90","","96.7172","0.0016","90","","1259.17","0.08","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F6 N3 Ta -","- C10 H10 F6 N3 Ta -","- C40 H40 F24 N12 Ta4 -","4","1","","Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Fuoco, Lindsay; Liu, Zhengtang; Poeppelmeier, Kenneth R.","Specific Chemistry of the Anions: [TaOF5]2‒, [TaF6]−, and [TaF7]2‒","Crystal Growth & Design","2014","14","2","844","","10.1021/cg401710j","","x-ray","0.71069","MoKα","","0.0163","0.0157","","","0.0358","0.036","","","","","","1.081","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509858","7.1842","0.0003","13.2358","0.0005","20.0804","0.0008","74.8179","0.0019","89.3805","0.0017","85.8098","0.0016","1837.78","0.13","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H10 F5 N2 O Ta -","- C10 H10 F4.99333 N2 O1.00667 Ta -","- C60 H60 F29.96 N12 O6.04 Ta6 -","6","3","","Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Fuoco, Lindsay; Liu, Zhengtang; Poeppelmeier, Kenneth R.","Specific Chemistry of the Anions: [TaOF5]2‒, [TaF6]−, and [TaF7]2‒","Crystal Growth & Design","2014","14","2","844","","10.1021/cg401710j","","x-ray","0.71069","MoKα","","0.0656","0.0337","","","0.0656","0.0759","","","","","","1.009","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509859","9.9102","0.0003","7.5768","0.0003","11.594","0.0004","90","","106.918","0.0018","90","","832.89","0.05","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 F7 N2 Ta -","- C2 H10 F7 N2 Ta -","- C8 H40 F28 N8 Ta4 -","4","0.5","","Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Fuoco, Lindsay; Liu, Zhengtang; Poeppelmeier, Kenneth R.","Specific Chemistry of the Anions: [TaOF5]2‒, [TaF6]−, and [TaF7]2‒","Crystal Growth & Design","2014","14","2","844","","10.1021/cg401710j","","x-ray","0.71069","MoKα","","0.0167","0.0152","","","0.0346","0.0351","","","","","","1","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509860","7.9759","0.0005","10.6923","0.0007","10.9369","0.0007","86.247","0.005","79.053","0.005","80.548","0.005","902.74","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","furosemide 1,4-dioxane solvate","","","- C16 H19 Cl N2 O7 S -","- C16 H19 Cl N2 O7 S -","- C32 H38 Cl2 N4 O14 S2 -","2","1","","Minkov, Vasily S.; Beloborodova, Alina A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Furosemide Solvates: Can They Serve As Precursors to Different Polymorphs of Furosemide?","Crystal Growth & Design","2014","14","2","513","","10.1021/cg401257w","","","0.71073","MoKα","","0.0519","0.0345","","","0.0818","0.0907","","","","","","1.016","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509861","10.9529","0.0005","8.3816","0.0003","20.0071","0.0009","90","","95.024","0.004","90","","1829.65","0.13","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","furosemide tetrahydrofuran solvate","","","- C16 H19 Cl N2 O6 S -","- C16 H19 Cl N2 O6 S -","- C64 H76 Cl4 N8 O24 S4 -","4","1","","Minkov, Vasily S.; Beloborodova, Alina A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Furosemide Solvates: Can They Serve As Precursors to Different Polymorphs of Furosemide?","Crystal Growth & Design","2014","14","2","513","","10.1021/cg401257w","","","0.71073","MoKα","","0.0499","0.0349","","","0.0825","0.0865","","","","","","1.055","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509862","12.143","0.0005","12.405","0.0004","24.3562","0.0011","90","","99.52","0.003","90","","3618.3","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","furosemide N,N-dimethylformamide solvate","","","- C15 H18 Cl N3 O6 S -","- C15 H18 Cl N3 O6 S -","- C120 H144 Cl8 N24 O48 S8 -","8","2","","Minkov, Vasily S.; Beloborodova, Alina A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Furosemide Solvates: Can They Serve As Precursors to Different Polymorphs of Furosemide?","Crystal Growth & Design","2014","14","2","513","","10.1021/cg401257w","","","0.71073","MoKα","","0.0763","0.0429","","","0.0819","0.0915","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509863","29.426","0.006","9.1549","0.0018","27.559","0.006","90","","115.5","0.03","90","","6701","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cd2 N2 O12 -","- C32 H26 Cd2 N2 O12 -","- C256 H208 Cd16 N16 O96 -","8","1","","Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting","A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes","Crystal Growth & Design","2014","14","2","730","","10.1021/cg401601d","","","0.71073","MoKα","","0.0855","0.0692","","","0.1695","0.1857","","","","","","1.196","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509864","45.787","0.015","16.599","0.005","17.858","0.006","90","","90","","90","","13572","8","113","2","113","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C74 H66 Cd2 N8 O10 Zn0 -","- C74 H62 Cd2 N8 O10 -","- C592 H496 Cd16 N64 O80 -","8","1","","Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting","A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes","Crystal Growth & Design","2014","14","2","730","","10.1021/cg401601d","","","0.71075","MoKα","","0.1205","0.1103","","","0.2665","0.2746","","","","","","1.146","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509865","10.933","0.002","14.321","0.003","14.435","0.003","67.19","0.03","83.4","0.03","71.99","0.03","1981.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 Cd2 N4 O10 -","- C46 H36 Cd2 N4 O10 -","- C92 H72 Cd4 N8 O20 -","2","1","","Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting","A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes","Crystal Growth & Design","2014","14","2","730","","10.1021/cg401601d","","","0.71073","MoKα","","0.0736","0.0533","","","0.1246","0.1413","","","","","","1.122","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509866","17.001","0.003","8.5304","0.0017","23.469","0.008","90","","127.642","0.019","90","","2695.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cd2 N O12 -","- C27 H14 Cd2 N O12 -","- C108 H56 Cd8 N4 O48 -","4","1","","Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting","A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes","Crystal Growth & Design","2014","14","2","730","","10.1021/cg401601d","","","0.71073","MoKα","","0.0883","0.0671","","","0.1708","0.1925","","","","","","1.139","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509867","5.7626","0.0002","9.672","0.0005","10.8216","0.0004","76.15","0.003","87.995","0.004","72.813","0.004","559.05","0.04","","","77","","","","1013","","","","","4","P -1","-P 1","2","","aqua-1-hydroxy-1,1-di(dihydrogenphosphonato)ethane-calcium hemipentahydrate","","- C2 Ca O10.5 P2 -","- C2 Ca O10.5 P2 -","- C4 Ca2 O21 P4 -","2","1","","Niekiel, Felicitas; Stock, Norbert","Discovery of New Calcium Etidronates Employing Ultrasound Adapted High-Throughput Methods","Crystal Growth & Design","2014","14","2","599","","10.1021/cg401459a","","x-ray","0.825986","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509868","11.3975","0.0008","5.756","0.0004","15.4086","0.001","90","","94.012","0.007","90","","1008.39","0.12","","","77","","","","1013","","","","","5","P 1 21/c 1","-P 2ybc","14","","aqua-1-hydroxy-1,1-(hydrogendiphosphonato)ethane-calcium potassium hydrate","","- C2 Ca K O9 P2 -","- C2 Ca K O9 P2 -","- C8 Ca4 K4 O36 P8 -","4","1","","Niekiel, Felicitas; Stock, Norbert","Discovery of New Calcium Etidronates Employing Ultrasound Adapted High-Throughput Methods","Crystal Growth & Design","2014","14","2","599","","10.1021/cg401459a","","x-ray","0.825986","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509869","17.832","0.004","17.832","0.004","17.832","0.004","90","","90","","90","","5670","2","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C24 H30 Cl N10 Na O6 -","- C24 H30 Cl N10 Na O6 -","- C192 H240 Cl8 N80 Na8 O48 -","8","0.333333","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0813","0.0689","","","0.1801","0.1914","","","","","","1.072","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509870","18.148","0.002","18.148","0.002","18.148","0.002","90","","90","","90","","5977","1.1","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C24 H30 Cl K N10 O6 -","- C24 H30 Cl K N10 O6 -","- C192 H240 Cl8 K8 N80 O48 -","8","0.333333","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0669","0.0556","","","0.1617","0.1695","","","","","","1.076","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509871","13.139","0.005","13.139","0.005","30.095","0.012","90","","90","","120","","4499","3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 Cl2 Mg N20 O12 -","- C48 H72 Cl2 Mg N20 O12 -","- C144 H216 Cl6 Mg3 N60 O36 -","3","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0925","0.0543","","","0.1395","0.199","","","","","","1.189","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509872","13.241","0.002","13.241","0.002","31.07","0.005","90","","90","","120","","4717.5","1.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 Ca Cl2 N20 O12 -","- C48 H72 Ca Cl2 N20 O12 -","- C144 H216 Ca3 Cl6 N60 O36 -","3","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.047","0.0326","","","0.0738","0.0941","","","","","","1.047","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509873","13.201","0.004","13.201","0.004","30.575","0.009","90","","90","","120","","4614","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 Cl2 Mn N20 O12 -","- C48 H72 Cl2 Mn N20 O12 -","- C144 H216 Cl6 Mn3 N60 O36 -","3","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0456","0.0329","","","0.0963","0.1024","","","","","","1.155","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509874","13.403","0.003","13.403","0.003","8.6697","0.0017","90","","90","","120","","1348.8","0.5","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H60 Cl2 Mn N20 O6 -","- C48 H60 Cl2 Mn N20 O6 -","- C48 H60 Cl2 Mn N20 O6 -","1","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0647","0.0429","","","0.1194","0.1451","","","","","","0.841","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509875","13.4","0.01","13.4","0.01","8.73","0.006","90","","90","","120","","1357.5","1.7","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H60 Cl2 Co N20 O6 -","- C48 H60 Cl2 Co N20 O6 -","- C48 H60 Cl2 Co N20 O6 -","1","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.1088","0.0518","","","0.1069","0.1261","","","","","","1.11","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509876","18.037","0.006","18.037","0.006","18.037","0.006","90","","90","","90","","5868","3","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C24 H30 F K N10 O6 -","- C24 H30 F K N10 O6 -","- C192 H240 F8 K8 N80 O48 -","8","0.333333","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.1054","0.075","","","0.1486","0.1681","","","","","","1.033","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509877","11.948","0.004","12.066","0.004","12.125","0.004","65.2","0.004","72.767","0.004","69.079","0.004","1459.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H68 N20 Na2 O14 -","- C49 H68 N20 Na2 O14 -","- C49 H68 N20 Na2 O14 -","1","0.5","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.1433","0.0704","","","0.1186","0.1433","","","","","","1.014","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4509878","12.159","0.003","12.311","0.003","12.361","0.003","68.914","0.004","65.452","0.005","72.928","0.005","1547.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H34 K N10 O7 -","- C24.5 H34 K N10 O7 -","- C49 H68 K2 N20 O14 -","2","1","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.092","0.0656","","","0.1356","0.1521","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509879","22.0143","0.0018","9.8317","0.0009","22.891","0.002","90","","112.715","0.005","90","","4570.2","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C182 H33 Cl -","- C182 H33 Cl -","- C364 H66 Cl2 -","2","0.5","","Filatov, Alexander S.; Ferguson, Michael V.; Spisak, Sarah N.; Li, Bo; Campana, Charles F.; Petrukhina, Marina A.","Bowl-Shaped Polyarenes as Concave‒Convex Shape Complementary Hosts for C60- and C70-Fullerenes","Crystal Growth & Design","2014","14","2","756","","10.1021/cg401616j","","","1.54178","CuKα","","0.0899","0.0561","","","0.1187","0.1361","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4509880","15.8747","0.0006","16.0091","0.0006","18.2908","0.0007","66.713","0.002","71.6","0.002","80.733","0.002","4047.9","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C144 H40 Cl6 -","- C144 H40 Cl6 -","- C288 H80 Cl12 -","2","1","","Filatov, Alexander S.; Ferguson, Michael V.; Spisak, Sarah N.; Li, Bo; Campana, Charles F.; Petrukhina, Marina A.","Bowl-Shaped Polyarenes as Concave‒Convex Shape Complementary Hosts for C60- and C70-Fullerenes","Crystal Growth & Design","2014","14","2","756","","10.1021/cg401616j","","","1.54178","CuKα","","0.1231","0.0659","","","0.1278","0.1511","","","","","","1.02","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509881","15.1465","0.0004","17.4664","0.0006","17.4943","0.0005","113.765","0.003","108.654","0.002","98.054","0.002","3815.2","0.2","293","2","298","2","","","","","","","","4","P -1","-P 1","2","","1,3-Benzenediol-diethyl N,N'-(1,3-phenylene)dioxalamate complex","","- C74 H82 N8 O30 -","- C74 H82 N8 O30 -","- C148 H164 N16 O60 -","2","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Morín-Sánchez, Luis M.; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Molecular Complexes of DiethylN,N′-1,3-Phenyldioxalamate and Resorcinols: Conformational Switching through Intramolecular Three-Centered Hydrogen-Bonding","Crystal Growth & Design","2014","14","2","628","","10.1021/cg401500k","","","1.5418","CuKα","","0.105","0.0887","","","0.277","0.2962","","","","","","1.013","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509882","4.941","0.0002","18.7803","0.0005","11.2062","0.0004","90","","97.223","0.003","90","","1031.61","0.06","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","5-Methyl-1,3-benzenediol-diethyl N,N'-(1,3-phenylene) dioxalamate complex","","- C21 H24 N2 O8 -","- C21 H24 N2 O8 -","- C42 H48 N4 O16 -","2","0.5","","González-González, Juan Saulo; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Morín-Sánchez, Luis M.; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Molecular Complexes of DiethylN,N′-1,3-Phenyldioxalamate and Resorcinols: Conformational Switching through Intramolecular Three-Centered Hydrogen-Bonding","Crystal Growth & Design","2014","14","2","628","","10.1021/cg401500k","","","1.54184","CuKα","","0.0537","0.042","","","0.1085","0.1181","","","","","","1.039","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509883","15.8182","0.0007","18.9181","0.0006","11.3683","0.0004","90","","92.369","0.004","90","","3399.1","0.2","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,6-di-tbutyl-1,3-benzenediol-diethyl N,N'-(1,3-phenylene)dioxalamate","","- C29 H39 Cl3 N2 O8 -","- C29 H39 Cl3 N2 O8 -","- C116 H156 Cl12 N8 O32 -","4","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Morín-Sánchez, Luis M.; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Molecular Complexes of DiethylN,N′-1,3-Phenyldioxalamate and Resorcinols: Conformational Switching through Intramolecular Three-Centered Hydrogen-Bonding","Crystal Growth & Design","2014","14","2","628","","10.1021/cg401500k","","","1.5418","CuKα","","0.1163","0.0907","","","0.2786","0.3207","","","","","","1.041","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509884","14.497","0.005","17.021","0.006","12.332","0.004","90","","103.739","0.016","90","","2955.9","1.8","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 N2 O11 S -","- C26 H46 N2 O11 S -","- C104 H184 N8 O44 S4 -","4","1","","Bis, Joanna A.; Boyle, Paul D.; Carino, Stephen A. R.; Igo, David H.; Katrincic, Lee M.","Crystallization and Solid-State Characterization of the Hemihydrate of Albuterol Hemisulfate","Crystal Growth & Design","2014","14","2","775","","10.1021/cg4016405","","","0.71073","MoKα","","0.1144","0.064","","","0.1534","0.1819","","","","","","1.013","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509885","14.587","0.003","7.6483","0.0013","18.132","0.003","90","","102.264","0.002","90","","1976.7","0.6","173","2","173","2","","","101","","","","","7","P 1 21/n 1","-P 2yn","14","[CpCoS2N2H][BF4]","N2-5-(eta-5-Cyclopentadienyl)-5-cobalta-1,3,2,4-dithiadiazolium tetrafluoroborate","","- C5 H6 B Co F4 N2 S2 -","- C5 H6 B Co F4 N2 S2 -","- C40 H48 B8 Co8 F32 N16 S16 -","8","2","","Boeré, René T.","Hydrogen-Bonding Motifs in MS2N2H Metallacycles: A Crystallographic and Computational Study of [CpCoS2N2H][BF4]","Crystal Growth & Design","2014","14","2","814","","10.1021/cg401674w","","x-ray","0.71073","MoKα","","0.1209","0.0577","","","0.1194","0.1452","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509886","10.284","0.003","31.388","0.01","20.904","0.007","90","","103.189","0.009","90","","6570","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Ag Cl3 F6 N3 O8 P -","- C24 H15 Ag N3 O6 -","- C192 H120 Ag8 N24 O48 -","8","1","","Mukherjee, Gargi; Biradha, Kumar","Topological Equivalences between Coordination Polymer and Co-crystal: A Tecton Approach in Crystal Engineering","Crystal Growth & Design","2014","14","2","419","","10.1021/cg401858s","","","0.71073","MoKα","","0.0892","0.0462","","","0.1164","0.1334","","","","","","0.565","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509887","20.565","0.008","22.834","0.008","7.502","0.003","90","","90.73","0.012","90","","3523","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 Cl6 N3 O13 -","- C33 H20 N3 O12 -","- C132 H80 N12 O48 -","4","1","","Mukherjee, Gargi; Biradha, Kumar","Topological Equivalences between Coordination Polymer and Co-crystal: A Tecton Approach in Crystal Engineering","Crystal Growth & Design","2014","14","2","419","","10.1021/cg401858s","","","0.71073","MoKα","","0.1753","0.0645","","","0.1473","0.187","","","","","","0.732","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509888","10.889","0.006","13.384","0.007","17.35","0.013","104.96","0.02","103.6","0.02","102.482","0.017","2269","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C98 H62 Ag2 Cl6 F12 N6 O12 P2 -","- C96 H60 Ag2 F12 N6 O12 P2 -","- C96 H60 Ag2 F12 N6 O12 P2 -","1","0.5","","Mukherjee, Gargi; Biradha, Kumar","Topological Equivalences between Coordination Polymer and Co-crystal: A Tecton Approach in Crystal Engineering","Crystal Growth & Design","2014","14","2","419","","10.1021/cg401858s","","","0.71073","MoKα","","0.1673","0.0653","","","0.1574","0.1913","","","","","","0.802","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509889","10.5932","0.0019","4.7331","0.0008","17.179","0.003","90","","98.548","0.007","90","","851.8","0.3","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H23.8 N4 O8.9 -","- C12 H23.812 N4 O8.906 -","- C24 H47.624 N8 O17.812 -","2","1","","Nath, Naba K.; Yasuda, Nobuhiro; Rabeh, Wael M.; Sahoo, Subash Chandra; Naumov, Panče","Structural Elucidation of the Neuraminidase Inhibitor Zanamivir (Relenza): Creeping and Diffusion for Polymorph Separation","Crystal Growth & Design","2014","14","2","770","","10.1021/cg4016383","","","0.61948","Synchrotron","","0.0804","0.0538","","","0.1234","0.1374","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509890","8.8194","0.0012","9.2436","0.0014","20.227","0.003","90","","90","","90","","1649","0.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23.4 N4 O8.7 -","- C12 H23.404 N4 O8.702 -","- C48 H93.616 N16 O34.808 -","4","1","","Nath, Naba K.; Yasuda, Nobuhiro; Rabeh, Wael M.; Sahoo, Subash Chandra; Naumov, Panče","Structural Elucidation of the Neuraminidase Inhibitor Zanamivir (Relenza): Creeping and Diffusion for Polymorph Separation","Crystal Growth & Design","2014","14","2","770","","10.1021/cg4016383","","","0.61948","Synchrotron","","0.0334","0.0327","","","0.093","0.0936","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509891","29.1206","0.0015","9.0225","0.0004","20.0291","0.0011","90","","131.787","0.0011","90","","3923.8","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H17 N0.5 Ni0.5 O3 S5 -","- C16.5 H17 N0.5 Ni0.5 O3 S5 -","- C132 H136 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.0347","0.0329","","","0.079","0.0801","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509892","29.274","0.0011","9.0709","0.0003","20.0025","0.0009","90","","131.915","0.0009","90","","3952.5","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C132 H128 F4 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.0627","0.0446","","","0.1124","0.1674","","","","","","1.201","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509893","28.969","0.002","9.0811","0.0006","20.0477","0.0013","90","","131.492","0.0014","90","","3950.4","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C132 H128 F4 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.1114","0.065","","","0.1732","0.2388","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509894","29.326","0.0012","9.0664","0.0004","20.2033","0.0008","90","","132.153","0.001","90","","3982.3","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H17 N0.5 Ni0.5 O3 S5 -","- C16.5 H17 N0.5 Ni0.5 O3 S5 -","- C132 H136 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.0458","0.034","","","0.0778","0.1005","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509895","29.103","0.002","9.1316","0.0005","20.203","0.0013","90","","131.73","0.0017","90","","4006.9","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C132 H128 F4 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.1081","0.0464","","","0.1049","0.1568","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509896","29.4415","0.0011","9.109","0.0003","20.1583","0.0009","90","","132.211","0.0009","90","","4004.2","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C132 H128 F4 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.0808","0.0434","","","0.1008","0.1635","","","","","","1.158","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509897","9.6191","0.001","10.0535","0.0011","12.8335","0.0014","71.676","0.001","87.048","0.002","75.916","0.001","1142.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N2 O6 Zn -","- C26 H20 N2 O6 Zn -","- C52 H40 N4 O12 Zn2 -","2","1","","Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen","Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups","Crystal Growth & Design","2014","14","2","491","","10.1021/cg401149h","","","0.71073","MoKα","","0.0723","0.0672","","","0.1974","0.2037","","","","","","1.006","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509898","10.9063","0.0004","10.9553","0.0004","16.599","0.0007","90","","101.655","0.001","90","","1942.39","0.13","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H12 N O5 Zn -","- C17 H12 N O5 Zn -","- C68 H48 N4 O20 Zn4 -","4","1","","Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen","Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups","Crystal Growth & Design","2014","14","2","491","","10.1021/cg401149h","","","0.71073","MoKα","","0.0541","0.0384","","","0.1036","0.1074","","","","","","1.005","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509899","7.2562","0.0014","10.207","0.002","11.423","0.002","108.061","0.002","92.203","0.003","99.553","0.003","789.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Co N4 O10 -","- C32 H36 Co N4 O10 -","- C32 H36 Co N4 O10 -","1","0.5","","Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen","Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups","Crystal Growth & Design","2014","14","2","491","","10.1021/cg401149h","","","0.71073","MoKα","","0.0562","0.05","","","0.1271","0.1324","","","","","","1.014","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509900","7.3036","0.0003","10.4501","0.0004","11.5545","0.0004","108.251","0.001","94.805","0.001","98.434","0.001","820.52","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Cd N4 O10 -","- C32 H24 Cd N4 O10 -","- C32 H24 Cd N4 O10 -","1","0.5","","Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen","Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups","Crystal Growth & Design","2014","14","2","491","","10.1021/cg401149h","","","0.71073","MoKα","","0.0349","0.0346","","","0.0913","0.0917","","","","","","1.044","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509901","10.2536","0.0005","11.9941","0.0006","25.9444","0.0012","90","","105.733","0.002","90","","3071.2","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H29 Co N2 O6.5 -","- C34 H29 Co N2 O6.5 -","- C136 H116 Co4 N8 O26 -","4","1","","Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen","Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups","Crystal Growth & Design","2014","14","2","491","","10.1021/cg401149h","","","0.71073","MoKα","","0.0789","0.0454","","","0.0992","0.1048","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509902","34.0012","0.003","34.0012","0.003","154.0023","0.005","90","","90","","120","","154186","2","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C168 H96 N12 O79 P12 Zn11 -","- C168 H96 N12 O79 P12 Zn11 -","- C2016 H1152 N144 O948 P144 Zn132 -","12","0.333333","","Li, Bao; Chen, Xi; Yu, Fan; Yu, Wenjing; Zhang, Tianle; Sun, Di","Luminescent Response of One Anionic Metal‒Organic Framework Based on Novel Octa-nuclear Zinc Cluster to Exchanged Cations","Crystal Growth & Design","2014","14","2","410","","10.1021/cg401766j","","","0.71073","MoKα","","0.2588","0.1401","","","0.351","0.4341","","","","","","1.173","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509903","18.8141","0.0005","16.8612","0.0003","16.0353","0.0003","90","","94.892","0.001","90","","5068.32","0.19","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H80 N4 O12 -","- C46 H80 N4 O12 -","- C184 H320 N16 O48 -","4","1","","Bardelang, David; Giorgi, Michel; Hornebecq, Virginie; Stepanov, Anatoli; Hardy, Micaël; Rizzato, Egon; Monnier, Valérie; Zaman, Md. Badruz; Chan, Gordon; Udachin, Konstantin; Enright, Gary; Tordo, Paul; Ouari, Olivier","Hosting Various Guests Including Fullerenes and Free Radicals in Versatile Organic ParamagneticbTbkOpen Frameworks","Crystal Growth & Design","2014","14","2","467","","10.1021/cg401097e","","x-ray","0.71073","MoKα","","0.1418","0.0788","","","0.1735","0.2107","","","","","","1.012","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509904","49.7671","0.0012","49.7671","0.0012","29.6709","0.0016","90","","90","","120","","63642","4","100","0.1","100","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C133.53 H207.47 N8 O24 -","- C133.44 H207.36 N8 O24 -","- C2401.92 H3732.48 N144 O432 -","18","1","","Bardelang, David; Giorgi, Michel; Hornebecq, Virginie; Stepanov, Anatoli; Hardy, Micaël; Rizzato, Egon; Monnier, Valérie; Zaman, Md. Badruz; Chan, Gordon; Udachin, Konstantin; Enright, Gary; Tordo, Paul; Ouari, Olivier","Hosting Various Guests Including Fullerenes and Free Radicals in Versatile Organic ParamagneticbTbkOpen Frameworks","Crystal Growth & Design","2014","14","2","467","","10.1021/cg401097e","","","0.7107","MoKα","","0.1504","0.0937","","","0.2465","0.3146","","","","","","1.042","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509905","8.8854","0.0005","13.3231","0.0005","14.7403","0.0007","90","","101.159","0.005","90","","1711.98","0.14","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O6 S2 -","- C14 H17 N3 O6 S2 -","- C56 H68 N12 O24 S8 -","4","1","","Hu, Yun; Gniado, Katarzyna; Erxleben, Andrea; McArdle, Patrick","Mechanochemical Reaction of Sulfathiazole with Carboxylic Acids: Formation of a Cocrystal, a Salt, and Coamorphous Solids","Crystal Growth & Design","2014","14","2","803","","10.1021/cg401673z","","","0.71073","MoKα","","0.0582","0.0356","","","0.0848","0.0949","","","","","","1.013","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509906","8.0392","0.0006","19.9339","0.001","8.636","0.0003","90","","97.715","0.004","90","","1371.41","0.13","150.1","0.1","150.1","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O6 S2 -","- C11 H11 N3 O6 S2 -","- C44 H44 N12 O24 S8 -","4","1","","Hu, Yun; Gniado, Katarzyna; Erxleben, Andrea; McArdle, Patrick","Mechanochemical Reaction of Sulfathiazole with Carboxylic Acids: Formation of a Cocrystal, a Salt, and Coamorphous Solids","Crystal Growth & Design","2014","14","2","803","","10.1021/cg401673z","","","0.71073","MoKα","","0.0549","0.0399","","","0.1043","0.1246","","","","","","1.211","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509907","12.46","0.005","9.968","0.005","14.021","0.005","90","0.005","114.069","0.005","90","0.005","1590","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cu N2 O8 -","- C14 H8 Cu N2 O8 -","- C28 H16 Cu2 N4 O16 -","2","0.5","","Mohapatra, Chandrajeet; Chandrasekhar, Vadapalli","Two-Dimensional Homometallic- to a Three Dimensional Heterometallic Coordination Polymer: A Metalloligand Approach","Crystal Growth & Design","2014","14","2","406","","10.1021/cg401698a","","","0.71069","MoKα","","0.0853","0.0722","","","0.232","0.2445","","","","","","1.151","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509908","10.901","0.005","10.346","0.005","11.834","0.005","90","0.005","107.066","0.005","90","0.005","1275.9","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cu N2 O8 Sn2 -","- C20 H24 Cu N2 O8 Sn2 -","- C40 H48 Cu2 N4 O16 Sn4 -","2","0.5","","Mohapatra, Chandrajeet; Chandrasekhar, Vadapalli","Two-Dimensional Homometallic- to a Three Dimensional Heterometallic Coordination Polymer: A Metalloligand Approach","Crystal Growth & Design","2014","14","2","406","","10.1021/cg401698a","","","0.71069","MoKα","","0.0368","0.0309","","","0.0749","0.0895","","","","","","1.094","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509909","7.791","0.002","9.064","0.002","16.531","0.005","86.551","0.007","85.974","0.007","78.416","0.008","1139.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Br5 N4 O -","- C20 H19 Br5 N4 O -","- C40 H38 Br10 N8 O2 -","2","1","","Manna, Prankrishna; Seth, Saikat Kumar; Bauzá, Antonio; Mitra, Monojit; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata","pH Dependent Formation of Unprecedented Water‒Bromide Cluster in the Bromide Salts of PTP Assisted by Anion−π Interactions: Synthesis, Structure, and DFT Study","Crystal Growth & Design","2014","14","2","747","","10.1021/cg401615r","","","0.71073","MoKα","","0.0751","0.0555","","","0.1354","0.1459","","","","","","1.034","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509910","8.6394","0.0011","25.895","0.003","12.1559","0.0011","90","","124.25","0.006","90","","2247.9","0.5","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Br3 N4 O3 -","- C20 H23 Br3 N4 O3 -","- C80 H92 Br12 N16 O12 -","4","1","","Manna, Prankrishna; Seth, Saikat Kumar; Bauzá, Antonio; Mitra, Monojit; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata","pH Dependent Formation of Unprecedented Water‒Bromide Cluster in the Bromide Salts of PTP Assisted by Anion−π Interactions: Synthesis, Structure, and DFT Study","Crystal Growth & Design","2014","14","2","747","","10.1021/cg401615r","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509911","19.056","0.009","9.7904","0.0015","26.613","0.007","90","","134.35","0.02","90","","3550","2","453","","453","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H24 N4 Ni2 O17 V6 -","- C24 H24 N4 Ni2 O17 V6 -","- C96 H96 N16 Ni8 O68 V24 -","4","1","","Fernández de Luis, Roberto; Orive, Joseba; Larrea, Edurne S.; Urtiaga, M. Karmele; Arriortua, María I.","Reversible Solid-State Transformation in {Ni2(H2O)2(Bpa)2}(V6O17) Proved by Synchrotron Radiation: Color and Magnetic Properties Change","Crystal Growth & Design","2014","14","2","658","","10.1021/cg401540s","powder diffraction","","0.82548","synchrotron","","13.92","","","","","","","","0.51","","","","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509912","19.6177","0.001","9.3725","0.0003","26.6897","0.0017","90","","132.445","0.008","90","","3621.3","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H28 N4 Ni2 O19 V6 -","- C24 H24 N4 Ni2 O19 V6 -","- C96 H96 N16 Ni8 O76 V24 -","4","1","","Fernández de Luis, Roberto; Orive, Joseba; Larrea, Edurne S.; Urtiaga, M. Karmele; Arriortua, María I.","Reversible Solid-State Transformation in {Ni2(H2O)2(Bpa)2}(V6O17) Proved by Synchrotron Radiation: Color and Magnetic Properties Change","Crystal Growth & Design","2014","14","2","658","","10.1021/cg401540s","","","0.71073","MoKα","","0.0979","0.0925","","","0.2241","0.2315","","","","","","1.06","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509913","12.8613","0.0015","5.3305","0.0006","29.105","0.003","90","","100.016","0.002","90","","1964.9","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N4 O6 S -","- C18 H17 Cl N4 O6 S -","- C72 H68 Cl4 N16 O24 S4 -","4","1","","Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic","Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties","Crystal Growth & Design","2014","14","2","783","","10.1021/cg401662d","","","0.71073","MoKα","","0.0553","0.0374","","0.0814","0.0731","0.0814","","","","","","0.9191","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509914","4.8206","0.0003","20.6135","0.0014","19.1406","0.0012","90","","93.291","0.002","90","","1898.9","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N4 O6 S -","- C18 H17 Cl N4 O6 S -","- C72 H68 Cl4 N16 O24 S4 -","4","1","","Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic","Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties","Crystal Growth & Design","2014","14","2","783","","10.1021/cg401662d","","","0.71073","MoKα","","0.0747","0.0445","","0.0908","0.0776","0.0908","","","","","","0.9293","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509915","26.823","0.005","4.7607","0.001","18.427","0.004","90","","122.37","0.03","90","","1987.4","1","100","","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl N3 O7 S -","- C19 H18 Cl N3 O7 S -","- C76 H72 Cl4 N12 O28 S4 -","4","1","","Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic","Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties","Crystal Growth & Design","2014","14","2","783","","10.1021/cg401662d","","","0.6889","","","0.0592","0.0402","","0.1274","0.0917","0.1274","","","","","","0.9886","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509916","5.0178","0.0011","38.527","0.008","17.031","0.004","90","","94.353","0.003","90","","3282.9","1.3","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl2 N6 O11 S2 -","- C30 H27.976 Cl2 N6 O11 S2 -","- C120 H111.904 Cl8 N24 O44 S8 -","4","1","","Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic","Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties","Crystal Growth & Design","2014","14","2","783","","10.1021/cg401662d","","","0.71073","MoKα","","0.1307","0.0977","","0.1369","0.1295","0.1369","","","","","","0.9181","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509917","21.712","0.003","7.7087","0.001","22.024","0.003","90","","92.748","0.002","90","","3681.9","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br2 N6 Zn -","- C16 H14 Br2 N6 Zn -","- C128 H112 Br16 N48 Zn8 -","8","2","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.0797","0.0425","","","0.0805","0.0881","","","","","","1.003","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509918","16.039","0.002","23.007","0.003","20.128","0.003","90","","96.51","0.002","90","","7379.5","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br2 N6 Zn -","- C16 H14 Br2 N6 Zn -","- C256 H224 Br32 N96 Zn16 -","16","4","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.1098","0.051","","","0.0938","0.1157","","","","","","1.014","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509919","16.2395","0.001","15.7632","0.001","13.9861","0.0009","90","","102.156","0.001","90","","3500","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Fe N14 S2 -","- C34 H28 Fe N14 S2 -","- C136 H112 Fe4 N56 S8 -","4","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.0764","0.0408","","","0.0912","0.109","","","","","","1.004","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509920","17.1342","0.0007","17.7157","0.0006","17.9936","0.0007","90","","90","","90","","5461.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 Fe2 N19 O2 S4 -","- C47 Fe2 N19 O2 S4 -","- C188 Fe8 N76 O8 S16 -","4","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.1198","0.077","","","0.1764","0.2035","","","","","","1.027","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509921","16.676","0.001","17.192","0.002","17.671","0.001","90","","90","","90","","5066.2","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H45 Fe2 N19 O2 S4 -","- C47 H41 Fe2 N19 O2 S4 -","- C188 H164 Fe8 N76 O8 S16 -","4","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.1416","0.0665","","","0.1366","0.168","","","","","","1.028","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509922","16.6608","0.0003","17.6843","0.0003","17.8456","0.0004","90","","90","","90","","5257.93","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H47 Fe2 N19 O2 S4 -","- C48 H47 Fe2 N19 O2 S4 -","- C192 H188 Fe8 N76 O8 S16 -","4","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.0639","0.0524","","","0.1177","0.1264","","","","","","1.043","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4509923","11.8088","0.0016","12.4112","0.0018","19.618","0.003","106.581","0.002","100.09","0.002","95.371","0.002","2681.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 Fe2 N19 O3.5 S4 -","- C48 H46 Fe2 N19 O3.5 S4 -","- C96 H92 Fe4 N38 O7 S8 -","2","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.2682","0.0707","","","0.1739","0.2229","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509924","14.935","0.002","15.074","0.002","21.958","0.003","86.882","0.003","77.566","0.003","73.115","0.003","4619.2","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C160 H174 N72 Ni6 O53 -","- C160 H168 N72 Ni6 O53 -","- C160 H168 N72 Ni6 O53 -","1","0.5","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.1093","0.0756","","","0.1717","0.1937","","","","","","1.028","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509925","10.2164","0.0008","6.07487","0.00012","25.9781","0.0017","90","","102.821","0.016","90","","1572.09","0.19","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","","Portell, Anna; Prohens, Rafel","Single-Stranded Molecular Helical Assembly from a Self-Complementary Squaramide Compound","Crystal Growth & Design","2014","14","2","397","","10.1021/cg401639g","powder diffraction","","1.5418","CuKα","","","","","","","","","7.018","2.41","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4509926","12.959","0.005","13.832","0.005","14.44","0.005","69.617","0.005","66.648","0.005","79.195","0.005","2223.9","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H108 O18 Ru6 Sn6 -","- C90 H108 O18 Ru6 Sn6 -","- C90 H108 O18 Ru6 Sn6 -","1","0.5","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0485","0.0393","","","0.0936","0.1009","","","","","","1.052","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509927","22.117","","22.117","","24.215","0.005","90","","90","","120","","10258","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C144 H132 O18 Ru6 Sn6 -","- C144 H132 O18 Ru6 Sn6 -","- C432 H396 O54 Ru18 Sn18 -","3","0.166667","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0435","0.035","","","0.0813","0.0859","","","","","","1.077","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509928","15.068","0.005","15.086","0.005","15.68","0.005","69.769","0.005","68.998","0.005","71.416","0.005","3044.1","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H96 O18 Ru6 Sn6 -","- C108 H96 O18 Ru6 Sn6 -","- C108 H96 O18 Ru6 Sn6 -","1","0.5","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0645","0.0558","","","0.1613","0.1785","","","","","","1.1","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509929","12.481","0.005","13.445","0.005","13.744","0.005","61.104","0.005","72.618","0.005","84.29","0.005","1924.2","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H108 O10 Ru4 Sn4 -","- C76 H108 O10 Ru4 Sn4 -","- C76 H108 O10 Ru4 Sn4 -","1","0.5","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0534","0.0417","","","0.0983","0.1069","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509930","21.612","0.005","9.698","0.005","26.478","0.005","90","","90","","90","","5550","3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H36 O4 Ru2 Sn -","- C30 H36 O4 Ru2 Sn -","- C240 H288 O32 Ru16 Sn8 -","8","1","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0626","0.0451","","","0.0995","0.1099","","","","","","1.074","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509931","8.261","0.003","23.95","0.008","10.847","0.003","90","","111.639","0.005","90","","1994.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 O6 Ru2 Sn2 -","- C38 H56 O6 Ru2 Sn2 -","- C76 H112 O12 Ru4 Sn4 -","2","0.5","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71073","MoKα","","0.0384","0.0335","","","0.0828","0.0867","","","","","","1.048","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509932","11.8037","0.0006","20.4941","0.0011","13.6817","0.0007","90","","96.031","0.003","90","","3291.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","1","","Park, Ji Hye; Lee, Woo Ram; Kim, Yeonga; Lee, Hye Jin; Ryu, Dae Won; Phang, Won Ju; Hong, Chang Seop","Interpenetration Control, Sorption Behavior, and Framework Flexibility in Zn(II) Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","2","699","","10.1021/cg401583v","","","0.71073","MoKα","","0.1114","0.0669","","","0.1606","0.1722","","","","","","0.854","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509933","11.608","0.003","15.781","0.004","14.682","0.004","90","","90.824","0.018","90","","2689.3","1.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","1","","Park, Ji Hye; Lee, Woo Ram; Kim, Yeonga; Lee, Hye Jin; Ryu, Dae Won; Phang, Won Ju; Hong, Chang Seop","Interpenetration Control, Sorption Behavior, and Framework Flexibility in Zn(II) Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","2","699","","10.1021/cg401583v","","","0.71073","MoKα","","0.1544","0.0684","","","0.1682","0.1901","","","","","","0.879","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509934","7.8005","0.0002","11.2947","0.0003","13.1552","0.0004","82.719","0.002","80.499","0.002","83.194","0.002","1128.26","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N7 O4 Zn -","- C23 H19 N7 O4 Zn -","- C46 H38 N14 O8 Zn2 -","2","1","","Park, Ji Hye; Lee, Woo Ram; Kim, Yeonga; Lee, Hye Jin; Ryu, Dae Won; Phang, Won Ju; Hong, Chang Seop","Interpenetration Control, Sorption Behavior, and Framework Flexibility in Zn(II) Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","2","699","","10.1021/cg401583v","","","0.71073","MoKα","","0.0859","0.0579","","","0.1298","0.1495","","","","","","1.065","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509935","9.9488","0.0008","23.117","0.002","11.8918","0.0011","90","","90.287","0.001","90","","2734.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 Cu2 N16 O11 -","- C56 H42 Cu2 N16 O11 -","- C112 H84 Cu4 N32 O22 -","2","0.5","","Gong, Yun; Shi, Hui-Fang; Jiang, Peng-Gang; Hua, Wei; Lin, Jian-Hua","Metal(II)-Induced Coordination Polymer Based on 4-(5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoate as an Electrocatalyst for Water Splitting","Crystal Growth & Design","2014","14","2","649","","10.1021/cg401529u","","","0.71073","MoKα","","0.133","0.068","","","0.17","0.2105","","","","","","1.029","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509936","8.947","0.0009","24.276","0.002","12.532","0.0011","90","","90.125","0.001","90","","2721.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 Co2 N16 O11 -","- C56 H42 Co2 N16 O11 -","- C112 H84 Co4 N32 O22 -","2","0.5","","Gong, Yun; Shi, Hui-Fang; Jiang, Peng-Gang; Hua, Wei; Lin, Jian-Hua","Metal(II)-Induced Coordination Polymer Based on 4-(5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoate as an Electrocatalyst for Water Splitting","Crystal Growth & Design","2014","14","2","649","","10.1021/cg401529u","","","0.71073","MoKα","","0.0845","0.053","","","0.1298","0.1501","","","","","","1.025","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509937","8.9676","0.0008","24.598","0.002","12.6341","0.0011","90","","90.114","0.001","90","","2786.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 N16 O11 Zn2 -","- C56 H42 N16 O11 Zn2 -","- C112 H84 N32 O22 Zn4 -","2","0.5","","Gong, Yun; Shi, Hui-Fang; Jiang, Peng-Gang; Hua, Wei; Lin, Jian-Hua","Metal(II)-Induced Coordination Polymer Based on 4-(5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoate as an Electrocatalyst for Water Splitting","Crystal Growth & Design","2014","14","2","649","","10.1021/cg401529u","","","0.71073","MoKα","","0.1113","0.0711","","","0.1805","0.198","","","","","","1.037","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509938","7.1646","0.0004","11.6664","0.0006","16.2037","0.0008","109.485","0.001","96.911","0.002","99.708","0.002","1235.61","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N2 Ni2 O20 -","- C14 H30 N2 Ni2 O20 -","- C28 H60 N4 Ni4 O40 -","2","1","","Hundal, Geeta; Hundal, Maninder Singh; Hwang, Young Kyu; Chang, Jong San","Supramolecular Interactions between Finite Tapes of Water Molecules and Hydrated Metal Ions To Produce Infinite Two-Dimensional Cationic Layers of Water Molecules","Crystal Growth & Design","2014","14","1","172","","10.1021/cg401358p","","","0.71073","MoKα","","0.0627","0.0582","","","0.1907","0.1937","","","","","","1.021","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509939","40.334","0.005","7.7289","0.0009","15.6202","0.0018","90","","90.602","0.003","90","","4869.1","1","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H40 O5 -","- C24 O5 -","- C192 O40 -","8","2","","Wang, Xudong; Li, Chenxi; Duan, Yueqin; Lu, Yan","Hydrophobic Tetramer Structures of Cholic Acid","Crystal Growth & Design","2014","14","1","23","","10.1021/cg401651t","","","0.8856","","","0.382","0.3699","","","0.7092","0.7275","","","","","","3.241","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509940","6.4938","0.0007","9.2279","0.0009","9.9675","0.001","64.0531","0.001","85.7704","0.0013","73.6886","0.0013","514.63","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Br4 N2 O6 -","- C18 H14 Br4 N2 O6 -","- C18 H14 Br4 N2 O6 -","1","0.5","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","powder diffraction","x-ray","1.54184","","","","","","","","","0.15799","","4.8","","","","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509941","9.2517","0.0003","7.0646","0.0002","18.7083","0.0007","90","","101.565","0.002","90","","1197.94","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br4 N4 O6 -","- C18 H18 Br4 N4 O6 -","- C36 H36 Br8 N8 O12 -","2","0.5","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","","","0.71073","MoKα","","0.136","0.055","","","0.1419","0.1712","","","","","","1.048","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509942","8.0299","0.0009","10.3117","0.0011","7.0948","0.0008","90","","99.5592","0.0011","90","","579.31","0.11","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H2 Br4 O4 -","- C8 H2 Br4 O4 -","- C16 H4 Br8 O8 -","2","0.25","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","powder diffraction","x-ray","1.54184","","","","","","","","","0.03379","","2.16","","","","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509943","5.8277","0.0006","14.727","0.002","16.5226","0.0019","90","","97.177","0.005","90","","1406.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Br4 O6 -","- C8 H6 Br4 O6 -","- C32 H24 Br16 O24 -","4","1","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","","","0.71073","MoKα","","0.1878","0.0772","","","0.1562","0.1835","","","","","","0.81","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509944","8.4983","0.0005","8.7073","0.0004","9.9547","0.0005","92.062","0.002","112.55","0.003","114.459","0.002","602.4","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Br4 N6 O6 -","- C20 H14 Br4 N6 O6 -","- C20 H14 Br4 N6 O6 -","1","0.5","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","","","0.71073","MoKα","","0.0603","0.0384","","","0.094","0.1046","","","","","","1.01","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509945","6.8225","0.0005","8.9985","0.0006","10.1541","0.0007","96.117","0.004","90.172","0.004","106.548","0.004","593.8","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H10 Br4 I2 N2 O4 -","- C18 H10 Br4 I2 N2 O4 -","- C18 H10 Br4 I2 N2 O4 -","1","0.5","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","","","0.71073","MoKα","","0.25","0.069","","","0.1319","0.1804","","","","","","0.921","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509946","9.793","0.0005","14.477","0.0007","7.6369","0.0004","90","","106.032","0.003","90","","1040.6","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Cu N5 O5 -","- C8 H9 Cu N5 O5 -","- C32 H36 Cu4 N20 O20 -","4","1","","El Bakkali, H.; Castiñeiras, A.; García-Santos, I.; González-Pérez, J. M.; Niclós-Gutiérrez, J.","Metallo-Supramolecular Structures by Self-Assembly through Weak Interactions in Mixed Ligand Metal Complexes of Adenine and Malonate","Crystal Growth & Design","2014","14","1","249","","10.1021/cg401455c","","","0.71073","MoKα","","0.0313","0.0252","","","0.0581","0.0599","","","","","","1.061","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509947","7.0521","0.0003","10.505","0.0003","16.0669","0.0006","90","","90.121","0.002","90","","1190.27","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N10 O12 Zn2 -","- C16 H22 N10 O12 Zn2 -","- C32 H44 N20 O24 Zn4 -","2","0.5","","El Bakkali, H.; Castiñeiras, A.; García-Santos, I.; González-Pérez, J. M.; Niclós-Gutiérrez, J.","Metallo-Supramolecular Structures by Self-Assembly through Weak Interactions in Mixed Ligand Metal Complexes of Adenine and Malonate","Crystal Growth & Design","2014","14","1","249","","10.1021/cg401455c","","","0.71073","MoKα","","0.0276","0.0224","","","0.0511","0.0525","","","","","","1.045","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509948","14.2033","0.0008","14.7848","0.0008","7.0659","0.0003","90","","102.643","0.002","90","","1447.81","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Co2 N10 O18 -","- C16 H34 Co2 N10 O18 -","- C32 H68 Co4 N20 O36 -","2","0.5","","El Bakkali, H.; Castiñeiras, A.; García-Santos, I.; González-Pérez, J. M.; Niclós-Gutiérrez, J.","Metallo-Supramolecular Structures by Self-Assembly through Weak Interactions in Mixed Ligand Metal Complexes of Adenine and Malonate","Crystal Growth & Design","2014","14","1","249","","10.1021/cg401455c","","","0.71073","MoKα","","0.0533","0.0347","","","0.0807","0.0875","","","","","","1.027","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509949","3.88551","0.0001","3.88551","0.0001","7.3489","0.0003","90","","90","","90","","110.948","0.006","293","2","293","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","BiOCl","","","- Bi Cl O -","- Bi Cl O -","- Bi2 Cl2 O2 -","2","0.125","","Biswas, Anupam; Das, Raja; Dey, Chandan; Banerjee, Rahul; Poddar, Pankaj","Ligand-Free One-Step Synthesis of {001} Faceted Semiconducting BiOCl Single Crystals and Their Photocatalytic Activity","Crystal Growth & Design","2014","14","1","236","","10.1021/cg4014366","","","0.71073","MoKα","","0.0624","0.0624","","","0.1598","0.1598","","","","","","1.269","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509950","3.8641","0.0009","26.562","0.006","14.773","0.003","90","","95.929","0.003","90","","1508.2","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","orthodibromodibenzphenazine","11,12-dibromo-dibenz[a,c]phenazine","","- C20 H10 Br2 N2 -","- C20 H10 Br2 N2 -","- C80 H40 Br8 N8 -","4","0.5","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0208","0.019","","","0.052","0.053","","","","","","1.107","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509951","16.966","0.004","38.644","0.01","6.9694","0.0018","90","","90","","90","","4569","2","100","2","100","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","11,12-bisC3F7dibenzphenazine","11,12-bis(perfluoropropyl)-dibenz[a,c]phenazine","","- C26 H10 F14 N2 -","- C26 H10 F14 N2 -","- C208 H80 F112 N16 -","8","0.5","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0338","0.0254","","","0.0682","0.0766","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509952","7.3069","0.0011","17.986","0.003","39.263","0.006","90","","90","","90","","5160","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","11,12-bisC4F9dibenzphenazine","11,12-bis(perfluorobutyl)-dibenz[a,c]phenazine","","- C28 H10 F18 N2 -","- C28 H10 F18 N2 -","- C224 H80 F144 N16 -","8","1","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0602","0.0536","","","0.1391","0.1487","","","","","","1.065","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509953","7.5302","0.0008","18.595","0.002","45.45","0.005","90","","90","","90","","6364.1","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","11,12-bisC6F13dibenzphenazine","11,12-bis(perfluorohexyl)-dibenz[a,c]phenazine","","- C32 H10 F26 N2 -","- C32 H10 F26 N2 -","- C256 H80 F208 N16 -","8","1","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0378","0.0322","","","0.0771","0.0803","","","","","","1.149","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509954","5.1175","0.0007","13.0267","0.0017","29.29","0.004","90","","90","","90","","1952.6","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MonoC4F9dibenzphenazine","11-perfluorobutyl-dibenz[a,c]phenazine","","- C24 H11 F9 N2 -","- C24 H11 F9 N2 -","- C96 H44 F36 N8 -","4","1","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0239","0.0213","","","0.0536","0.0551","","","","","","1.13","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509955","6.7136","0.0006","9.5424","0.0009","19.8914","0.0018","81.818","0.001","85.346","0.001","82.085","0.001","1246.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","9,10-bisC4F9dithiophenephenazine","9,10-bis(perfluorobutyl)-dithieno[2,3-a: 3',2'-c]phenazine","","- C24 H6 F18 N2 S2 -","- C24 H6 F18 N2 S2 -","- C48 H12 F36 N4 S4 -","2","1","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0577","0.0445","","","0.0995","0.108","","","","","","1.023","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509956","15.9995","0.0005","18.1852","0.0007","24.8199","0.0007","90","","102.917","0.003","90","","7038.7","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Manganese sulfonyldibenzoates","","","- C48 H30 Mn3 N2 O23 S3 -","- C48 H30 Mn3 N2 O23 S3 -","- C192 H120 Mn12 N8 O92 S12 -","4","1","","Bhattacharya, Saurav; Gnanavel, M.; Bhattacharyya, Aninda J.; Natarajan, Srinivasan","Organization of Mn-Clusters inpcuandbcuNetworks: Synthesis, Structure, and Properties","Crystal Growth & Design","2014","14","1","310","","10.1021/cg401587r","","","0.71073","MoKα","","0.0883","0.0647","","","0.1823","0.1996","","","","","","1.053","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509957","18.0352","0.001","25.8676","0.0013","18.0584","0.0009","90","","118.861","0.003","90","","7378.3","0.7","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Manganese sulfonyldibenzoates","","","- C84 H48 Mn7 O48 S6 -","- C84 H48 Mn7 O48 S6 -","- C168 H96 Mn14 O96 S12 -","2","0.5","","Bhattacharya, Saurav; Gnanavel, M.; Bhattacharyya, Aninda J.; Natarajan, Srinivasan","Organization of Mn-Clusters inpcuandbcuNetworks: Synthesis, Structure, and Properties","Crystal Growth & Design","2014","14","1","310","","10.1021/cg401587r","","","0.71073","MoKα","","0.1391","0.0696","","","0.182","0.204","","","","","","0.838","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509958","10.3769","0.0002","8.8497","0.0002","13.5431","0.0003","90","","96.8897","0.0008","90","","1234.72","0.05","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs","Crystal Growth & Design","2014","14","1","27","","10.1021/cg401532j","","","0.71073","MoKα","","0.0505","0.0399","","","0.0964","0.1019","","","","","","1.071","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509959","11.1175","0.0002","11.5416","0.0002","12.2025","0.0002","105.767","0.0007","102.716","0.0007","98.4533","0.0008","1433.77","0.04","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","2","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs","Crystal Growth & Design","2014","14","1","27","","10.1021/cg401532j","","","0.71073","MoKα","","0.0602","0.0421","","","0.101","0.1108","","","","","","1.058","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509960","9.6119","0.0002","11.0473","0.0002","14.6432","0.0003","74.6603","0.0008","72.0162","0.0008","64.8393","0.0009","1322.47","0.05","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","2","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs","Crystal Growth & Design","2014","14","1","27","","10.1021/cg401532j","","","0.71073","MoKα","","0.0528","0.0402","","","0.1007","0.108","","","","","","1.039","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509961","10.992","0.0001","11.1848","0.0002","13.2362","0.0002","107.41","0.0006","94.424","0.0006","115.715","0.0007","1357.82","0.04","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","2","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs","Crystal Growth & Design","2014","14","1","27","","10.1021/cg401532j","","","0.71073","MoKα","","0.0777","0.0464","","","0.1137","0.1304","","","","","","1.052","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509962","9.283","0.001","14.248","0.002","37.628","0.004","90","","90","","90","","4976.8","1","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C224 H224 N32 O32 -","16","2","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs","Crystal Growth & Design","2014","14","1","27","","10.1021/cg401532j","","","0.71073","MoKα","","0.0778","0.0423","","","0.1062","0.1262","","","","","","1.034","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509963","12.3442","0.0004","18.1532","0.0007","18.2571","0.0007","90","","92.994","0.003","90","","4085.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 N4 O9 Zn2 -","- C48 H34 N4 O9 Zn2 -","- C192 H136 N16 O36 Zn8 -","4","1","","Dai, Ming; Su, Xin-Ran; Wang, Xiao; Wu, Bing; Ren, Zhi-Gang; Zhou, Xuan; Lang, Jian-Ping","Three Zinc(II) Coordination Polymers Based on Tetrakis(4-pyridyl)cyclobutane and Naphthalenedicarboxylate Linkers: Solvothermal Syntheses, Structures, and Photocatalytic Properties","Crystal Growth & Design","2014","14","1","240","","10.1021/cg4014416","","","0.71073","MoKα","","0.0821","0.0567","","","0.1286","0.1396","","","","","","1.036","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509964","18.615","0.003","18.615","0.003","29.464","0.006","90","","90","","120","","8842","3","298","2","298","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H16 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C288 H192 N24 O48 Zn12 -","12","1","","Dai, Ming; Su, Xin-Ran; Wang, Xiao; Wu, Bing; Ren, Zhi-Gang; Zhou, Xuan; Lang, Jian-Ping","Three Zinc(II) Coordination Polymers Based on Tetrakis(4-pyridyl)cyclobutane and Naphthalenedicarboxylate Linkers: Solvothermal Syntheses, Structures, and Photocatalytic Properties","Crystal Growth & Design","2014","14","1","240","","10.1021/cg4014416","","","1.54178","CuKα","","0.0494","0.0437","","","0.1267","0.1363","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509965","16.0577","0.0018","15.9369","0.0015","16.9495","0.0015","90","","109.367","0.011","90","","4092.1","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 N4 O9 Zn2 -","- C48 H34 N4 O9 Zn2 -","- C192 H136 N16 O36 Zn8 -","4","1","","Dai, Ming; Su, Xin-Ran; Wang, Xiao; Wu, Bing; Ren, Zhi-Gang; Zhou, Xuan; Lang, Jian-Ping","Three Zinc(II) Coordination Polymers Based on Tetrakis(4-pyridyl)cyclobutane and Naphthalenedicarboxylate Linkers: Solvothermal Syntheses, Structures, and Photocatalytic Properties","Crystal Growth & Design","2014","14","1","240","","10.1021/cg4014416","","","0.71073","MoKα","","0.1492","0.0693","","","0.1166","0.1378","","","","","","0.984","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509966","28.575","0.003","5.6644","0.0007","13.5525","0.0016","90","","93.238","0.002","90","","2190.1","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H24 Cl N O4 S -","- C24 H24 Cl N O4 S -","- C96 H96 Cl4 N4 O16 S4 -","4","1","","Wakabayashi, Takashi; Amako, Tomoyuki; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Preparation and Guest Release Properties of Supramolecular 3-Chlorobenzo[b]thiophene Heterocyclic Host Complex","Crystal Growth & Design","2014","14","1","32","","10.1021/cg401012n","","","0.71073","MoKα","","0.0413","0.0397","","","0.0945","0.0954","","","","","","1.141","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509967","29.15","0.003","5.7776","0.0007","13.7903","0.0016","90","","91.043","0.002","90","","2322.1","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C25 H26 Cl N O4 S -","- C25 H26 Cl N O4 S -","- C100 H104 Cl4 N4 O16 S4 -","4","1","","Wakabayashi, Takashi; Amako, Tomoyuki; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Preparation and Guest Release Properties of Supramolecular 3-Chlorobenzo[b]thiophene Heterocyclic Host Complex","Crystal Growth & Design","2014","14","1","32","","10.1021/cg401012n","","","0.71073","MoKα","","0.0714","0.062","","","0.1576","0.1657","","","","","","1.056","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509968","13.662","0.005","5.636","0.0018","31.744","0.011","90","","101.091","0.005","90","","2398.6","1.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 Cl N O4 S -","- C26 H28 Cl N O4 S -","- C104 H112 Cl4 N4 O16 S4 -","4","2","","Wakabayashi, Takashi; Amako, Tomoyuki; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Preparation and Guest Release Properties of Supramolecular 3-Chlorobenzo[b]thiophene Heterocyclic Host Complex","Crystal Growth & Design","2014","14","1","32","","10.1021/cg401012n","","","0.71073","MoKα","","0.0945","0.0758","","","0.2216","0.2413","","","","","","1.103","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509969","13.626","0.003","5.771","0.0012","17.465","0.004","90","","109.134","0.004","90","","1297.5","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H30 Cl N O4 S -","- C27 H30 Cl N O4 S -","- C54 H60 Cl2 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Amako, Tomoyuki; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Preparation and Guest Release Properties of Supramolecular 3-Chlorobenzo[b]thiophene Heterocyclic Host Complex","Crystal Growth & Design","2014","14","1","32","","10.1021/cg401012n","","","0.71073","MoKα","","0.1325","0.0797","","","0.1909","0.2237","","","","","","1.036","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509970","9.191","0.0009","19.0375","0.0018","20.248","0.002","90","","97.709","0.002","90","","3510.8","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H132 N4 O8 -","- C64 H106 N4 O8 -","- C128 H212 N8 O16 -","2","1","","Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi","High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed","Crystal Growth & Design","2014","14","1","11","","10.1021/cg401466g","","","0.71073","MoKα","","0.1073","0.0889","","","0.2646","0.2949","","","","","","1.213","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509971","9.1784","0.0014","19.071","0.003","22.284","0.003","90","","93.151","0.004","90","","3894.7","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H148 N4 O8 -","- C72 H120 N4 O8 -","- C144 H240 N8 O16 -","2","1","","Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi","High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed","Crystal Growth & Design","2014","14","1","11","","10.1021/cg401466g","","","0.71073","MoKα","","0.1542","0.1026","","","0.2766","0.3316","","","","","","1.034","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509972","9.292","0.0019","18.94","0.004","22.831","0.005","90","","90.94","0.03","90","","4017.5","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76 H132 N4 O8 -","- C76 H132 N4 O8 -","- C152 H264 N8 O16 -","2","1","","Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi","High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed","Crystal Growth & Design","2014","14","1","11","","10.1021/cg401466g","","","0.71073","MoKα","","0.1453","0.0983","","","0.2727","0.3475","","","","","","1.047","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509973","9.172","0.0018","18.993","0.004","24.386","0.005","90","","90.19","0.03","90","","4248.1","1.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C80 H164 N4 O8 -","- C80 H130 N4 O8 -","- C160 H260 N8 O16 -","2","1","","Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi","High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed","Crystal Growth & Design","2014","14","1","11","","10.1021/cg401466g","","","0.71073","MoKα","","0.1664","0.1176","","","0.2758","0.3353","","","","","","1.879","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509974","9.2946","0.0011","10.8638","0.0012","10.7403","0.0012","90","","113.337","0.001","90","","995.8","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 S -","- C10 H8 N4 S -","- C40 H32 N16 S4 -","4","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0653","0.0376","","","0.0657","0.0732","","","","","","0.909","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509975","12.9222","0.0013","10.3009","0.0013","22.021","0.003","90","","104.94","0.003","90","","2832.1","0.6","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag F3 N4 O2 S -","- C12 H8 Ag F3 N4 O2 S -","- C96 H64 Ag8 F24 N32 O16 S8 -","8","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.044","0.0367","","","0.0888","0.0927","","","","","","1.074","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509976","26.457","0.012","8.367","0.004","15.214","0.009","90","","119.368","0.004","90","","2935","3","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag F3 N4 O2 S -","- C12 H8 Ag F3 N4 O2 S -","- C96 H64 Ag8 F24 N32 O16 S8 -","8","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0684","0.0555","","","0.1689","0.1788","","","","","","1.074","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509977","13.254","0.002","7.3495","0.0013","13.555","0.002","90","","110.68","0.003","90","","1235.3","0.3","291","2","291","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H16 Ag2 N10 O6 S2 -","- C20 H16 Ag2 N10 O6 S2 -","- C40 H32 Ag4 N20 O12 S4 -","2","0.5","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0689","0.0601","","","0.1664","0.1729","","","","","","1.142","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509978","9.4803","0.0014","9.4473","0.0014","15.163","0.002","90","","94.868","0.002","90","","1353.1","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ag N5 O4 S -","- C10 H10 Ag N5 O4 S -","- C40 H40 Ag4 N20 O16 S4 -","4","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0592","0.0366","","","0.0709","0.0803","","","","","","0.956","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509979","9.5081","0.0006","13.1649","0.0009","13.5056","0.001","90","","127.054","0.001","90","","1349.16","0.16","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag Cl N4 O4 S -","- C10 H8 Ag Cl N4 O4 S -","- C40 H32 Ag4 Cl4 N16 O16 S4 -","4","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0392","0.0355","","","0.1077","0.1106","","","","","","1.063","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509980","9.3474","0.0011","10.4189","0.0012","14.0975","0.0016","90","","97.117","0.002","90","","1362.4","0.3","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Ag Cl N4 O4 S -","- C10 H8 Ag Cl N4 O4 S -","- C40 H32 Ag4 Cl4 N16 O16 S4 -","4","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0671","0.0411","","","0.0965","0.1268","","","","","","0.952","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4509981","13.123","0.001","20.4789","0.0016","13.487","0.001","90","","90","","90","","3624.6","0.5","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Ag F6 N5 P S -","- C12 H11 Ag F6 N5 P S -","- C96 H88 Ag8 F48 N40 P8 S8 -","8","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0601","0.049","","","0.1551","0.1615","","","","","","1.118","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509982","6.434","0.004","15.763","0.002","8.963","0.004","90","","100.968","0.018","90","","892.4","0.7","291","2","291","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C12 H11 Ag F6 N5 P S -","- C12 H11 Ag F6 N5 P S -","- C24 H22 Ag2 F12 N10 P2 S2 -","2","0.5","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0653","0.0516","","","0.1427","0.1537","","","","","","1.058","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509983","7.2162","0.0003","16.0626","0.0006","26.1991","0.001","90","","91.975","0.001","90","","3035","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Co N6 O11 -","- C31 H26 Co N6 O11 -","- C124 H104 Co4 N24 O44 -","4","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0475","0.0411","","","0.1143","0.1187","","","","","","1.045","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509984","7.245","0.0004","16.1456","0.0008","26.6414","0.0013","90","","91.899","0.001","90","","3114.7","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cd N6 O11 -","- C31 H26 Cd N6 O11 -","- C124 H104 Cd4 N24 O44 -","4","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0491","0.0414","","","0.1099","0.1155","","","","","","1.008","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509985","15.8744","0.0012","12.6089","0.0009","27.9469","0.0019","90","","94.076","0.001","90","","5579.7","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H44 Co2 N12 O20 -","- C62 H44 Co2 N12 O20 -","- C248 H176 Co8 N48 O80 -","4","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0914","0.0516","","","0.112","0.1302","","","","","","1.013","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509986","15.9719","0.0013","12.927","0.001","27.989","0.002","90","","94.883","0.001","90","","5757.9","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H44 Cd2 N12 O20 -","- C62 H43 Cd2 N12 O20 -","- C248 H172 Cd8 N48 O80 -","4","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0762","0.0594","","","0.1334","0.1424","","","","","","1.062","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509987","7.3615","0.0005","11.515","0.0008","17.673","0.0012","94.342","0.001","101.267","0.001","97.944","0.001","1446.97","0.17","106","2","106","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H20 Co2 N6 O10 -","- C31 H20 Co2 N6 O10 -","- C62 H40 Co4 N12 O20 -","2","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0517","0.0405","","","0.0985","0.1051","","","","","","1.032","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509988","18.296","0.002","9.8044","0.0011","13.0202","0.0015","90","","90","","90","","2335.6","0.5","273","2","273","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H18 Co N6 O6 S -","- C21 H18 Co N6 O6 S -","- C84 H72 Co4 N24 O24 S4 -","4","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0582","0.0422","","","0.0976","0.1061","","","","","","0.992","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509989","10.732","0.0011","20.421","0.002","22.125","0.002","90","","90","","90","","4848.9","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Cd N6 O7 S -","- C21 H20 Cd N6 O7 S -","- C168 H160 Cd8 N48 O56 S8 -","8","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.074","0.045","","","0.1107","0.1253","","","","","","1.023","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509990","14.4328","0.0008","14.4328","0.0008","11.3654","0.0013","90","","90","","120","","2050.3","0.3","296","2","296","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C6 H24 N6 Ni S9 Sb4 Sn -","- C6 H24 N6 Ni S9 Sb4 Sn -","- C18 H72 N18 Ni3 S27 Sb12 Sn3 -","3","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Ma, Yun-Xiang; Sheng, Ning; Yang, Ya-Dong; Liu, Guo-Dong; Zhai, Xiu-Rong","[TM(en)3][SnSb4S9] (TM = Ni, Co): 3D Chiral Framework of Mixed Main-Group Metals and [Mn(dien)2]2Sb4S9: 1D Chains with Mixed-Valent Sb Centers","Crystal Growth & Design","2014","14","1","101","","10.1021/cg401208p","","","0.71073","MoKα","","0.024","0.0206","","","0.0409","0.0419","","","","","","1.029","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509991","14.4431","0.001","14.4431","0.001","11.379","0.0017","90","","90","","120","","2055.7","0.4","296","2","296","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C6 H24 Co N6 S9 Sb4 Sn -","- C6 H24 Co N6 S9 Sb4 Sn -","- C18 H72 Co3 N18 S27 Sb12 Sn3 -","3","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Ma, Yun-Xiang; Sheng, Ning; Yang, Ya-Dong; Liu, Guo-Dong; Zhai, Xiu-Rong","[TM(en)3][SnSb4S9] (TM = Ni, Co): 3D Chiral Framework of Mixed Main-Group Metals and [Mn(dien)2]2Sb4S9: 1D Chains with Mixed-Valent Sb Centers","Crystal Growth & Design","2014","14","1","101","","10.1021/cg401208p","","","0.71073","MoKα","","0.0265","0.0212","","","0.0353","0.0367","","","","","","1.033","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509992","11.6991","0.0007","11.1853","0.0007","32.2459","0.0019","90","","95.566","0.001","90","","4199.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H52 Mn2 N12 S9 Sb4 -","- C16 H52 Mn2 N12 S9 Sb4 -","- C64 H208 Mn8 N48 S36 Sb16 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Ma, Yun-Xiang; Sheng, Ning; Yang, Ya-Dong; Liu, Guo-Dong; Zhai, Xiu-Rong","[TM(en)3][SnSb4S9] (TM = Ni, Co): 3D Chiral Framework of Mixed Main-Group Metals and [Mn(dien)2]2Sb4S9: 1D Chains with Mixed-Valent Sb Centers","Crystal Growth & Design","2014","14","1","101","","10.1021/cg401208p","","","0.71073","MoKα","","0.0696","0.0408","","","0.0725","0.0795","","","","","","1.067","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509993","11.094","0.008","11.531","0.008","11.635","0.008","87.702","0.01","63.717","0.008","79.934","0.009","1312.8","1.6","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H21 Ag F3 N3 O5 S2 -","- C25 H21 Ag F3 N3 O5 S2 -","- C50 H42 Ag2 F6 N6 O10 S4 -","2","1","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.1327","0.0857","","","0.2112","0.2429","","","","","","1.003","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509994","34.543","0.009","8.324","0.002","15.572","0.004","90","","92.096","0.004","90","","4475","2","120","","120","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 Ag B F4 N6 O4 S2 -","- C48 H42 Ag B F4 N6 O4 S2 -","- C192 H168 Ag4 B4 F16 N24 O16 S8 -","4","0.5","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.1074","0.0535","","","0.0961","0.1151","","","","","","1.007","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509995","20.743","0.003","5.7353","0.0007","18.342","0.002","90","","112.779","0.001","90","","2011.9","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O2 S -","- C24 H21 N3 O2 S -","- C96 H84 N12 O8 S4 -","4","1","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.0691","0.0448","","","0.0959","0.1068","","","","","","1.027","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509996","18.845","0.003","18.777","0.003","12.6102","0.0019","90","","115.589","0.002","90","","4024.5","1.1","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N3 O2 S -","- C24 H21 N3 O2 S -","- C192 H168 N24 O16 S8 -","8","1","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.0746","0.0465","","","0.1071","0.1211","","","","","","1.059","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509997","12.277","0.004","22.291","0.007","45.968","0.014","90","","90","","90","","12580","7","120","","120","","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C49 H42 Ag1.5 F6 N6 O6 S2 Sb -","- C50 H42 Ag1.5 F6 N6 O7 S2 Sb -","- C400 H336 Ag12 F48 N48 O56 S16 Sb8 -","8","0.5","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.2095","0.1041","","","0.2893","0.3294","","","","","","0.868","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509998","21.37","0.004","19.497","0.004","7.47","0.0014","90","","91.055","0.003","90","","3111.9","1","150","","150","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Ag B Cl3 F4 N4 O2 S -","- C27 H25 Ag B Cl3 F4 N4 O2 S -","- C108 H100 Ag4 B4 Cl12 F16 N16 O8 S4 -","4","1","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.1609","0.0931","","","0.2614","0.3469","","","","","","1.199","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509999","10.225","0.002","10.197","0.002","23.917","0.005","90","","99.794","0.002","90","","2457.3","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O8 P2 U -","- C20 H26 N2 O8 P2 U -","- C80 H104 N8 O32 P8 U4 -","4","1","","Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.","Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates","Crystal Growth & Design","2014","14","1","228","","10.1021/cg401435w","","","0.71073","MoKα","","0.0339","0.0265","","","0.0571","0.0598","","","","","","1.035","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4510000","10.6043","0.0007","16.4306","0.0011","21.8094","0.0014","90","","90.493","0.001","90","","3799.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Cl2 N4 O10 P2 U2 -","- C28 H16 Cl2 N4 O10 P2 U2 -","- C112 H64 Cl8 N16 O40 P8 U8 -","4","1","","Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.","Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates","Crystal Growth & Design","2014","14","1","228","","10.1021/cg401435w","","","0.71073","MoKα","","0.0291","0.0246","","","0.0587","0.061","","","","","","1.073","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510001","9.8611","0.0007","10.0415","0.0007","10.7103","0.0007","71.712","0.001","65.666","0.001","68.082","0.001","880.27","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H22 N2 O8 P2 U -","- C11 H22 N2 O8 P2 U -","- C22 H44 N4 O16 P4 U2 -","2","1","","Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.","Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates","Crystal Growth & Design","2014","14","1","228","","10.1021/cg401435w","","","0.71073","MoKα","","0.0229","0.0199","","","0.0433","0.0444","","","","","","1.015","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510002","8.8825","0.0005","11.7704","0.0007","12.1185","0.0007","118.082","0.001","90.882","0.001","91.923","0.001","1116.51","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H20 N2 O12 P3 U -","- C15 H20 N2 O12 P3 U -","- C30 H40 N4 O24 P6 U2 -","2","1","","Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.","Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates","Crystal Growth & Design","2014","14","1","228","","10.1021/cg401435w","","","0.71073","MoKα","","0.0213","0.0185","","","0.0462","0.0549","","","","","","1.232","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510003","9.4611","0.0018","13.424","0.003","13.453","0.003","67.36","0.003","70.649","0.004","88.418","0.004","1478","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H58 N4 O34 P8 U5 -","- C28 H58 N4 O34 P8 U5 -","- C28 H58 N4 O34 P8 U5 -","1","0.5","","Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.","Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates","Crystal Growth & Design","2014","14","1","228","","10.1021/cg401435w","","","0.71073","MoKα","","0.0243","0.0198","","","0.0452","0.0465","","","","","","1.073","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510004","10.7378","0.0006","10.9492","0.0006","6.4879","0.0003","100.481","0.006","93.069","0.006","89.954","0.002","748.95","0.07","20","","20","","","","","","","","","5","P -1","-P 1","2","tetrathiafulvalene chloranil","","","- C12 H4 Cl4 O2 S4 -","- C12 H4 Cl4 O2 S4 -","- C24 H8 Cl8 O4 S8 -","2","1","","Lapidus, Saul H.; Naik, Amit; Wixtrom, Alex; Massa, Nestor E.; Ta Phuoc, Vinh; del Campo, Leire; Lebègue, Sébastien; Ángyán, János G.; Abdel-Fattah, Tarek; Pagola, Silvina","The Black Polymorph of TTF-CA: TTF Polymorphism and Solvent Effects in Mechanochemical and Vapor Digestion Syntheses, FT-IR, Crystal Packing, and Electronic Structure","Crystal Growth & Design","2014","14","1","91","","10.1021/cg401203r","powder diffraction","x-ray","0.699931","","","","","","","","","","0.0649","1.16","","","","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510005","10.7692","0.0003","11.0465","0.0003","6.6085","0.0001","101.356","0.003","93.669","0.002","89.295","0.001","769.19","0.03","298","","298","","","","","","","","","5","P -1","-P 1","2","tetrathiafulvalene chloranil","","","- C12 H4 Cl4 O2 S4 -","- C12 H4 Cl4 O2 S4 -","- C24 H8 Cl8 O4 S8 -","2","1","","Lapidus, Saul H.; Naik, Amit; Wixtrom, Alex; Massa, Nestor E.; Ta Phuoc, Vinh; del Campo, Leire; Lebègue, Sébastien; Ángyán, János G.; Abdel-Fattah, Tarek; Pagola, Silvina","The Black Polymorph of TTF-CA: TTF Polymorphism and Solvent Effects in Mechanochemical and Vapor Digestion Syntheses, FT-IR, Crystal Packing, and Electronic Structure","Crystal Growth & Design","2014","14","1","91","","10.1021/cg401203r","powder diffraction","x-ray","0.699931","","","","","","","","","","0.0295","1.34","","","","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510006","21.312","0.01","21.312","0.01","16.548","0.003","90","","90","","90","","7516","5","113","2","113","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C48 H41 Cl5 M N27 O4 -","- C48 H32 Cl5 Mn6 N24 O4 -","- C192 H128 Cl20 Mn24 N96 O16 -","4","0.25","","Han, Song-De; Zhao, Jiong-Peng; Chen, Yong-Qiang; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","A Spin-Canted Polynuclear Manganese Complex Comprised of Alternating Linkage of Cyclic Tetra-and Mononuclear Fragments","Crystal Growth & Design","2014","14","1","2","","10.1021/cg401335n","","","0.71073","MoKα","","0.0945","0.0843","","","0.2123","0.2198","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510007","10.2899","0.0003","12.2282","0.0004","10.1888","0.0007","90","","91.531","0.004","90","","1281.57","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Gd N O9 -","- C9 H8 Gd N O9 -","- C36 H32 Gd4 N4 O36 -","4","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0349","0.0303","","","0.0785","0.0825","","","","","","0.99","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510008","14.1072","0.001","11.1298","0.0008","15.0715","0.0012","90","","92.04","0.007","90","","2364.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 N3 O14 Tb2 -","- C21 H13 N3 O14 Tb2 -","- C84 H52 N12 O56 Tb8 -","4","0.5","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0573","0.0509","","","0.1233","0.1283","","","","","","1.075","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510009","7.6082","0.0003","17.0721","0.0004","8.2971","0.0003","90","","104.215","0.004","90","","1044.7","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Er N O7 -","- C9 H6 Er N O7 -","- C36 H24 Er4 N4 O28 -","4","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0449","0.0407","","","0.1002","0.1043","","","","","","1.036","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510010","7.6299","0.0003","17.0477","0.0007","8.3505","0.0003","90","","104.34","0.005","90","","1052.33","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Dy N O7 -","- C9 H6 Dy N O7 -","- C36 H24 Dy4 N4 O28 -","4","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0332","0.0282","","","0.0674","0.0708","","","","","","0.992","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510011","7.6349","0.0003","17.1484","0.0005","8.4454","0.0003","90","","104.922","0.004","90","","1068.44","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Gd N O7 -","- C9 H6 Gd N O7 -","- C36 H24 Gd4 N4 O28 -","4","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0331","0.0259","","","0.0597","0.0638","","","","","","0.963","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510012","15.8757","0.001","9.0998","0.0005","18.7296","0.0012","90","","111.039","0.007","90","","2525.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 N O8 Sm -","- C9 H8 N O8 Sm -","- C72 H64 N8 O64 Sm8 -","8","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0444","0.0356","","","0.0923","0.0981","","","","","","1.047","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510013","7.6339","0.0005","17.072","0.0009","8.3853","0.0004","90","","104.517","0.006","90","","1057.93","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 N O7 Tb -","- C9 H6 N O7 Tb -","- C36 H24 N4 O28 Tb4 -","4","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0332","0.0289","","","0.0696","0.0714","","","","","","1.023","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510014","15.89","0.002","9.0934","0.0014","18.737","0.003","90","","111.075","0.002","90","","2526.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Eu N O8 -","- C9 H8 Eu N O8 -","- C72 H64 Eu8 N8 O64 -","8","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0508","0.0485","","","0.1987","0.1997","","","","","","1.065","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510015","15.9586","0.0007","9.0571","0.0004","18.904","0.0012","90","","111.473","0.006","90","","2542.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H7 Cu0 Gd N O8 -","- C9 H8 Gd N O8 -","- C72 H64 Gd8 N8 O64 -","8","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0292","0.0268","","","0.077","0.0786","","","","","","1.059","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510016","8.0541","0.0008","8.3073","0.0008","14.7666","0.0013","85.767","0.007","87.441","0.008","66.606","0.009","904.18","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N6 O8 S -","- C13 H20 N6 O8 S -","- C26 H40 N12 O16 S2 -","2","1","","Hoque, Md. Najbul; Basu, Arghya; Das, Gopal","Pyridine‒Urea-Based Anion Receptor: Formation of Cyclic Sulfate‒Water Hexamer and Dihydrogen Phosphate‒Water Trimer in Hydrophobic Environment","Crystal Growth & Design","2014","14","1","6","","10.1021/cg4015724","","","0.71073","MoKα","","0.0706","0.0482","","","0.1108","0.129","","","","","","1.033","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510017","9.009","0.002","14.1152","0.0017","15.276","0.004","116.185","0.017","97.676","0.019","93.033","0.014","1713.9","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N6 O6.5 P -","- C13 H18 N6 O6.5 P -","- C52 H72 N24 O26 P4 -","4","2","","Hoque, Md. Najbul; Basu, Arghya; Das, Gopal","Pyridine‒Urea-Based Anion Receptor: Formation of Cyclic Sulfate‒Water Hexamer and Dihydrogen Phosphate‒Water Trimer in Hydrophobic Environment","Crystal Growth & Design","2014","14","1","6","","10.1021/cg4015724","","","0.71073","MoKα","","0.1316","0.0825","","","0.247","0.3407","","","","","","1.068","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510018","7.5545","0.0004","8.7273","0.0004","16.7176","0.0009","79.566","0.003","80.063","0.003","70.872","0.003","1016.49","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cl2 N6 O11 -","- C13 H18 Cl2 N6 O11 -","- C26 H36 Cl4 N12 O22 -","2","1","","Hoque, Md. Najbul; Basu, Arghya; Das, Gopal","Pyridine‒Urea-Based Anion Receptor: Formation of Cyclic Sulfate‒Water Hexamer and Dihydrogen Phosphate‒Water Trimer in Hydrophobic Environment","Crystal Growth & Design","2014","14","1","6","","10.1021/cg4015724","","","0.71073","MoKα","","0.08","0.0623","","","0.1987","0.2118","","","","","","1.033","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510019","8.1791","0.0009","14.041","0.002","20.311","0.003","107.534","0.007","95.216","0.006","100.316","0.006","2162","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C29.5 H21 N O3 -","- C29.5 H21 N O3 -","- C118 H84 N4 O12 -","4","2","","Peebles, Cameron; Alvey, Paul M; Lynch, Vincent; Iverson, Brent L","Time-Dependent Solid State Polymorphism of a Series of Donor-Acceptor Dyads.","Crystal growth & design","2014","14","1","290","299","10.1021/cg401522v","","","0.71073","MoKα","","0.2309","0.0857","","","0.1561","0.2054","","","","","","1.264","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510020","4.672","0.001","43.934","0.008","15.519","0.003","90","","96.876","0.009","90","","3162.5","1.1","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C40 H45 N O3 -","- C40 H45 N O3 -","- C160 H180 N4 O12 -","4","1","","Peebles, Cameron; Alvey, Paul M; Lynch, Vincent; Iverson, Brent L","Time-Dependent Solid State Polymorphism of a Series of Donor-Acceptor Dyads.","Crystal growth & design","2014","14","1","290","299","10.1021/cg401522v","","","1.5418","CuKα","","0.3422","0.1905","","","0.2675","0.3377","","","","","","1.226","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510021","9.294","0.002","10.2523","0.0017","12.7","0.003","99.545","0.012","105.418","0.016","93.466","0.013","1143.4","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 Cl3 N O3 -","- C27 H18 Cl3 N O3 -","- C54 H36 Cl6 N2 O6 -","2","1","","Peebles, Cameron; Alvey, Paul M; Lynch, Vincent; Iverson, Brent L","Time-Dependent Solid State Polymorphism of a Series of Donor-Acceptor Dyads.","Crystal growth & design","2014","14","1","290","299","10.1021/cg401522v","","","0.71073","MoKα","","0.1497","0.0624","","","0.1284","0.1644","","","","","","1.033","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510022","17.8321","0.0017","46.606","0.004","18.9497","0.0018","90","","114.056","0.006","90","","14381","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69.25 H90.75 N4.25 O10.25 Zn -","- C58 H66 N2 O8 Zn -","- C464 H528 N16 O64 Zn8 -","8","1","","Redshaw, Carl; Rowe, Oliver; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.","Pillared Two-Dimensional Metal–Organic Frameworks Based on a Lower-Rim Acid Appended Calix[4]arene","Crystal Growth & Design","2014","14","1","270","","10.1021/cg4014703","","","0.7749","synchrotron","","0.0877","0.0713","","","0.1987","0.2129","","","","","","1.033","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4510023","10.539","0.008","12.738","0.01","23.029","0.019","103.24","0.016","95.592","0.014","91.319","0.017","2992","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C113 H137 N3 O17 Zn2 -","- C108 H126 N2 O16 Zn2 -","- C108 H126 N2 O16 Zn2 -","1","0.5","","Redshaw, Carl; Rowe, Oliver; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.","Pillared Two-Dimensional Metal–Organic Frameworks Based on a Lower-Rim Acid Appended Calix[4]arene","Crystal Growth & Design","2014","14","1","270","","10.1021/cg4014703","","","0.71073","MoKα","","0.1431","0.1246","","","0.3338","0.3485","","","","","","1.061","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4510024","26.249","0.003","10.0932","0.0013","47.44","0.006","90","","90","","90","","12569","3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C121 H151 N9 O21 Zn2 -","- C116 H132 N8 O20 Zn2 -","- C464 H528 N32 O80 Zn8 -","4","1","","Redshaw, Carl; Rowe, Oliver; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.","Pillared Two-Dimensional Metal–Organic Frameworks Based on a Lower-Rim Acid Appended Calix[4]arene","Crystal Growth & Design","2014","14","1","270","","10.1021/cg4014703","","","0.7749","synchrotron","","0.096","0.0835","","","0.2156","0.2235","","","","","","1.025","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4510025","20.709","0.004","20.757","0.004","14.872","0.003","90","","129.01","0.03","90","","4967","3","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C24 H135 Cu6 Ge N24 Nb12 O62 V2 -","- C24 H64 Cu6 Ge N24 Nb12 O62 V2 -","- C48 H128 Cu12 Ge2 N48 Nb24 O124 V4 -","2","0.25","","Zhang, Ying; Shen, Jian-Qiang; Zheng, Li-Hua; Zhang, Zhi-Ming; Li, Yu-Xin; Wang, En-Bo","Four Polyoxonibate-Based Inorganic‒Organic Hybrids Assembly from Bicapped Heteropolyoxonibate with Effective Antitumor Activity","Crystal Growth & Design","2014","14","1","110","","10.1021/cg401227g","","","0.71073","MoKα","","0.0937","0.072","","","0.1879","0.2012","","","","","","1.048","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510026","20.746","0.004","20.789","0.004","14.94","0.003","90","","129.11","0.03","90","","5000","3","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C24 H138 Cu6 N24 Nb12 O63 Si V2 -","- C24 H64 Cu6 N24 Nb12 O63 Si V2 -","- C48 H128 Cu12 N48 Nb24 O126 Si2 V4 -","2","0.25","","Zhang, Ying; Shen, Jian-Qiang; Zheng, Li-Hua; Zhang, Zhi-Ming; Li, Yu-Xin; Wang, En-Bo","Four Polyoxonibate-Based Inorganic‒Organic Hybrids Assembly from Bicapped Heteropolyoxonibate with Effective Antitumor Activity","Crystal Growth & Design","2014","14","1","110","","10.1021/cg401227g","","","0.71073","MoKα","","0.0777","0.0623","","","0.1773","0.1887","","","","","","1.01","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510027","28.918","0.006","27.275","0.005","13.638","0.003","90","","93.88","0.03","90","","10732","4","293","2","293","2","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","","- C12 H94 Cu3 Ge K2 N12 Na4 Nb12 O65 V2 -","- C12 Cu3 Ge K2 N12 Na4 Nb12 O65 V2 -","- C48 Cu12 Ge4 K8 N48 Na16 Nb48 O260 V8 -","4","0.5","","Zhang, Ying; Shen, Jian-Qiang; Zheng, Li-Hua; Zhang, Zhi-Ming; Li, Yu-Xin; Wang, En-Bo","Four Polyoxonibate-Based Inorganic‒Organic Hybrids Assembly from Bicapped Heteropolyoxonibate with Effective Antitumor Activity","Crystal Growth & Design","2014","14","1","110","","10.1021/cg401227g","","","0.71073","MoKα","","0.1065","0.0697","","","0.1913","0.2126","","","","","","0.994","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510028","28.942","0.006","27.294","0.006","13.568","0.003","90","","93.87","0.03","90","","10694","4","293","2","293","2","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","","- C12 H86 Cu3 K2 N12 Na4 Nb12 O61 Si V2 -","- C12 H48 Cu3 K2 N12 Na4 Nb12 O61 Si V2 -","- C48 H192 Cu12 K8 N48 Na16 Nb48 O244 Si4 V8 -","4","0.5","","Zhang, Ying; Shen, Jian-Qiang; Zheng, Li-Hua; Zhang, Zhi-Ming; Li, Yu-Xin; Wang, En-Bo","Four Polyoxonibate-Based Inorganic‒Organic Hybrids Assembly from Bicapped Heteropolyoxonibate with Effective Antitumor Activity","Crystal Growth & Design","2014","14","1","110","","10.1021/cg401227g","","","0.71073","MoKα","","0.1477","0.0824","","","0.1897","0.218","","","","","","1.053","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510029","12.4567","0.0004","14.2413","0.0005","18.0693","0.0013","90","","90","","90","","3205.5","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H44 B2 F8 Ir N4 O2 P3 -","- C19 H43 B2 F8 Ir N4 O2 P3 -","- C76 H172 B8 F32 Ir4 N16 O8 P12 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0371","0.0352","","","0.0869","0.0879","","","","","","1.013","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510030","8.4218","0.0004","10.3619","0.0004","10.7421","0.0008","90","","102.256","0.007","90","","916.05","0.09","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H21 B Cl F4 Ir N4 -","- C15 H21 B Cl F4 Ir N4 -","- C30 H42 B2 Cl2 F8 Ir2 N8 -","2","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71075","MoKα","","0.065","0.0546","","","0.1016","0.1069","","","","","","1.062","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510031","13.9451","0.001","22.7483","0.0004","13.5566","0.0003","90","","112.44","0.008","90","","3974.9","0.4","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H63 B Cl F4 Ir N4 O -","- C36 H63 B Cl F4 Ir N4 O -","- C144 H252 B4 Cl4 F16 Ir4 N16 O4 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0471","0.0373","","","0.0792","0.0827","","","","","","1.078","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510032","10.2065","0.0005","11.645","0.0005","30.295","0.002","90","","90","","90","","3600.7","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H53 B2 F8 Ir N4 O3 P2 -","- C27 H53 B2 F8 Ir N4 O3 P2 -","- C108 H212 B8 F32 Ir4 N16 O12 P8 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0396","0.0354","","","0.0713","0.0728","","","","","","1.088","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510033","10.6139","0.0003","10.4084","0.0003","27.7107","0.0019","90","","96.783","0.007","90","","3039.9","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 B2 F8 Ir N4 O P -","- C24 H44 B2 F8 Ir N4 O P -","- C96 H176 B8 F32 Ir4 N16 O4 P4 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0392","0.0312","","","0.0678","0.0719","","","","","","1.057","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510034","15.4119","0.0003","10.641","0.0002","20.2231","0.0014","90","","102.973","0.007","90","","3231.9","0.3","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H45 B2 F8 Ir N4 P4 -","- C20 H45 B2 F8 Ir N4 P4 -","- C80 H180 B8 F32 Ir4 N16 P16 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","1.54178","CuKα","","0.1051","0.0844","","","0.2288","0.2487","","","","","","1.083","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510035","10.6892","0.0003","27.0455","0.0008","9.0785","0.0003","90","","108.475","0.001","90","","2489.28","0.13","100","2","99.97","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 N Ni O P -","- C28 H36 N Ni O P -","- C112 H144 N4 Ni4 O4 P4 -","4","1","","Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.","Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group","ACS Catalysis","2014","4","3","999","","10.1021/cs500114b","","x-ray","1.54178","CuKα","","0.0305","0.0286","","","0.0763","0.0777","","","","","","1.04","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510036","16.4657","0.0005","18.901","0.0006","16.0566","0.0005","90","","112.481","0.001","90","","4617.4","0.3","100","2","100.01","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H52 N2 Ni O6 S2 -","- C53 H52 N2 Ni O6 S2 -","- C212 H208 N8 Ni4 O24 S8 -","4","1","","Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.","Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group","ACS Catalysis","2014","4","3","999","","10.1021/cs500114b","","x-ray","1.54178","CuKα","","0.0421","0.0418","","","0.1068","0.1072","","","","","","1.049","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510037","10.1443","0.0004","10.6795","0.0005","11.1867","0.0005","89.583","0.002","69.987","0.002","83.908","0.002","1131.76","0.09","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H32 N Ni O3 P S -","- C22 H32 N Ni O3 P S -","- C44 H64 N2 Ni2 O6 P2 S2 -","2","1","","Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.","Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group","ACS Catalysis","2014","4","3","999","","10.1021/cs500114b","","x-ray","0.71073","MoKα","","0.0689","0.0406","","","0.0849","0.0951","","","","","","1.029","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510038","10.912","0.002","15.206","0.003","16.341","0.003","90","","95.182","0.006","90","","2700.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 Cl2 N2 O3 S -","- C31 H20 Cl2 N2 O3 S -","- C124 H80 Cl8 N8 O12 S4 -","4","1","","Yang, Jin-Ming; Hu, Yu; Li, Qiang; Yu, Fan; Cao, Jian; Fang, Dong; Huang, Zhi-Bin; Shi, Da-Qing","Efficient and regioselective synthesis of novel functionalized dispiropyrrolidines and their cytotoxic activities.","ACS combinatorial science","2014","16","3","139","145","10.1021/co400096c","","","0.7107","MoKα","","0.1131","0.0776","","","0.1671","0.1852","","","","","","1.125","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510039","7.8331","0.0013","10.443","0.002","16.69","0.003","101.953","0.003","94.064","0.003","111.538","0.004","1226.1","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H21 N3 O5 -","- C30 H21 N3 O5 -","- C60 H42 N6 O10 -","2","1","","Yang, Jin-Ming; Hu, Yu; Li, Qiang; Yu, Fan; Cao, Jian; Fang, Dong; Huang, Zhi-Bin; Shi, Da-Qing","Efficient and regioselective synthesis of novel functionalized dispiropyrrolidines and their cytotoxic activities.","ACS combinatorial science","2014","16","3","139","145","10.1021/co400096c","","","0.71075","MoKα","","0.0696","0.0452","","","0.1098","0.1228","","","","","","0.905","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510040","10.5477","0.0009","14.464","0.002","14.486","0.002","62.635","0.015","70.78","0.01","86.674","0.009","1841.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19.5 H16.5 Cl1.5 N2 O4 -","- C19.5 H16.5 Cl1.5 N2 O4 -","- C78 H66 Cl6 N8 O16 -","4","2","","Konreddy, Ananda Kumar; Toyama, Massaki; Ito, Wataru; Bal, Chandralata; Baba, Masanori; Sharon, Ashoke","Synthesis and Anti-HCV Activity of 4-Hydroxyamino α-Pyranone Carboxamide Analogues.","ACS medicinal chemistry letters","2014","5","3","259","263","10.1021/ml400432f","","","0.71073","MoKα","","0.1015","0.0604","","","0.1502","0.1897","","","","","","1.03","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510041","8.408","0.003","6.082","0.002","13.429","0.005","90","","90.023","0.005","90","","686.7","0.4","150","2","150","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","Mahns, Benjamin; Kataeva, Olga; Islamov, Daut; Hampel, Silke; Steckel, Frank; Hess, Christian; Knupfer, Martin; Büchner, Bernd; Himcinschi, Cameliu; Hahn, Torsten; Renger, Roman; Kortus, Jens","Crystal Growth, Structure, and Transport Properties of the Charge-Transfer Salt Picene/2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane","Crystal Growth & Design","2014","14","3","1338","","10.1021/cg401841n","","x-ray","0.71073","MoKα","","0.0663","0.0427","","","0.1001","0.1121","","","","","","1.123","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510042","7.9197","0.0001","6.9998","0.0001","42.9408","0.0008","90","","91.429","0.001","90","","2379.74","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H14 F4 N4 -","- C34 H14 F4 N4 -","- C136 H56 F16 N16 -","4","1","","Mahns, Benjamin; Kataeva, Olga; Islamov, Daut; Hampel, Silke; Steckel, Frank; Hess, Christian; Knupfer, Martin; Büchner, Bernd; Himcinschi, Cameliu; Hahn, Torsten; Renger, Roman; Kortus, Jens","Crystal Growth, Structure, and Transport Properties of the Charge-Transfer Salt Picene/2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane","Crystal Growth & Design","2014","14","3","1338","","10.1021/cg401841n","","x-ray","0.71073","MoKα","","0.1124","0.0699","","","0.1915","0.2146","","","","","","1.12","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510043","10.5235","0.0002","12.9016","0.0002","17.2177","0.0003","90","","107.834","0.001","90","","2225.32","0.07","105","2","105","2","","","","","","","as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.048","0.0321","","","0.087","0.0919","","","","","","1.03","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510044","10.5235","0.0002","12.9016","0.0002","17.2177","0.0003","90","","107.834","0.001","90","","2225.32","0.07","105","2","105","2","","","","","","","as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0448","0.0242","","","","0.0217","","","","","","1.109","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510045","8.1904","0.0002","8.5345","0.0002","15.4497","0.0003","90","","94.155","0.001","90","","1077.11","0.04","100","2","100","2","","","","","","","as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0288","0.0259","","","0.0825","0.0838","","","","","","1.139","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510046","8.1904","0.0002","8.5345","0.0002","15.4497","0.0003","90","","94.155","0.001","90","","1077.11","0.04","100","2","100","2","","","","","","","as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0214","0.0177","","","","0.0249","","","","","","1.649","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510047","8.1904","0.0002","8.5345","0.0002","15.4497","0.0003","90","","94.155","0.001","90","","1077.11","0.04","100","2","100","2","","","","","","","as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","neutron","0.42","neutrons","","0.0943","0.0602","","","0.1147","0.1197","","","","","","1.071","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510048","17.4174","0.0006","8.4911","0.0003","15.4952","0.0005","90","","112.761","0.002","90","","2113.17","0.13","100","2","100","2","","","","","","","as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0425","0.0331","","","0.0992","0.1033","","","","","","1.098","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510049","17.4174","0.0006","8.4911","0.0003","15.4952","0.0005","90","","112.761","0.002","90","","2113.17","0.13","100","2","100","2","","","","","","","as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0414","0.0258","","","","0.037","","","","","","1.989","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510050","17.4174","0.0006","8.4911","0.0003","15.4952","0.0005","90","","112.761","0.002","90","","2113.17","0.13","100","2","100","2","","","","","","","as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.42","neutrons","","0.0717","0.07","","","0.1534","0.1543","","","","","","1.074","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510051","10.7891","0.0002","8.4836","0.0001","11.3978","0.0002","90","","91.643","0.001","90","","1042.82","0.03","100","2","100","2","","","","","","","as described","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0285","0.0245","","","0.0747","0.0766","","","","","","1.08","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510052","10.7891","0.0002","8.4836","0.0001","11.3978","0.0002","90","","91.643","0.001","90","","1042.82","0.03","100","2","100","2","","","","","","","as described","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0191","0.0141","","","","0.0172","","","","","","1.103","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510053","10.7891","0.0002","8.4836","0.0001","11.3978","0.0002","90","","91.643","0.001","90","","1042.82","0.03","100","2","100","2","","","","","","","as described","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.42","neutrons","","0.0724","0.0724","","","0.1452","0.1452","","","","","","1.097","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510054","26.138","0.003","35.912","0.003","22.594","0.002","90","","90","","90","","21208","4","100","2","100","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C136 H188 Cu12 N4 O68 -","- C136 H120 Cu12 N4 O68 -","- C544 H480 Cu48 N16 O272 -","4","0.25","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","Secondary Building Unit (SBU) Controlled Formation of a Catalytically Active Metal‒Organic Polyhedron (MOP) Derived from a Flexible Tripodal Ligand","Crystal Growth & Design","2014","14","3","1331","","10.1021/cg4018322","","","0.71073","MoKα","","0.114","0.0711","","","0.2172","0.2417","","","","","","1.035","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510055","27.73","0.003","11.6608","0.0011","5.118","0.0005","90","","90","","90","","1654.9","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H24 Co O10 -","- C15 H16 Co O10 -","- C60 H64 Co4 O40 -","4","0.5","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","Secondary Building Unit (SBU) Controlled Formation of a Catalytically Active Metal‒Organic Polyhedron (MOP) Derived from a Flexible Tripodal Ligand","Crystal Growth & Design","2014","14","3","1331","","10.1021/cg4018322","","","0.71073","MoKα","","0.0466","0.0444","","","0.1566","0.1597","","","","","","1.353","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510056","15.437","0.005","15.985","0.005","16.475","0.006","90","","90.145","0.013","90","","4065","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 K O10 Zn -","- C15 H15 K O10 Zn -","- C120 H120 K8 O80 Zn8 -","8","1","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","Secondary Building Unit (SBU) Controlled Formation of a Catalytically Active Metal‒Organic Polyhedron (MOP) Derived from a Flexible Tripodal Ligand","Crystal Growth & Design","2014","14","3","1331","","10.1021/cg4018322","","","0.71073","MoKα","","0.0955","0.0627","","","0.1734","0.1916","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510057","26.6907","0.0006","26.6907","","10.8875","0.0002","90","","90","","120","","6717.1","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman methanol clathrate","","- C55 H64 O7 -","- C55 H60 O7 -","- C330 H360 O42 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0515","0.0419","","","0.1128","0.1161","","","","","","1.005","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510058","26.7277","0.0016","26.7277","","10.861","0.0005","90","","90","","120","","6719.3","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C55 H63 N O8 -","- C54.9999 H62.9997 N0.9999 O7.9998 -","- C329.999 H377.998 N5.9994 O47.9988 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0841","0.0702","","","0.1761","0.1836","","","","","","1","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510059","26.6925","0.0014","26.6925","","10.9396","0.0004","90","","90","","120","","6750.1","0.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman ethanol clathrate","","- C56 H66 O7 -","- C55.9998 H65.9994 O6.9999 -","- C335.999 H395.996 O41.9994 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0921","0.0611","","","0.1466","0.1537","","","","","","1.029","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510060","26.8114","0.0006","26.8114","","10.8567","0.0003","90","","90","","120","","6758.8","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman dichloroethane clathrate","","- C110 H124 Cl2 O12 -","- C110 H124.001 Cl2.0004 O12 -","- C330.001 H372.002 Cl6.0012 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0608","0.0549","","","0.161","0.165","","","","","","1.001","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510061","26.7934","0.0006","26.7934","","10.8917","0.0002","90","","90","","120","","6771.5","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman hexane clathrate","","- C114 H134 O12 -","- C113.999 H133.999 O12 -","- C341.998 H401.996 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","1.54178","CuKα","","0.0422","0.0366","","","0.0954","0.1","","","","","","1.005","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510062","26.626","0.0004","26.626","","11.0546","0.0002","90","","90","","120","","6787.12","0.16","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman acetic acid clathrate","","- C56 H64 O8 -","- C56.0004 H64.0008 O8.0004 -","- C336.002 H384.005 O48.0024 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0467","0.04","","","0.1125","0.1153","","","","","","1.003","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510063","26.871","0.0008","26.871","","10.8595","0.0002","90","","90","","120","","6790.6","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman fluorobenzene clathrate","","- C114 H125 F O12 -","- C114.001 H125.001 F1.0002 O12 -","- C342.004 H375.003 F3.0006 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.081","0.0553","","","0.1552","0.1668","","","","","","1","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510064","26.8516","0.0014","26.8516","","10.9156","0.0005","90","","90","","120","","6815.8","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman bromoform clathrate","","- C109 H121 Br3 O12 -","- C109 H121 Br3.0006 O12 -","- C327.001 H363.001 Br9.0018 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0684","0.0532","","","0.172","0.1773","","","","","","1.004","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510065","26.8671","0.0008","26.8671","","10.8701","0.0002","90","","90","","120","","6795.3","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman carbon tetrachloride clathrate","","- C109 H120 Cl4 O12 -","- C109 H120 Cl4 O12 -","- C327 H360 Cl12 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0465","0.0397","","","0.1118","0.1146","","","","","","1.001","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510066","26.9382","0.0008","26.9382","","10.8315","0.0002","90","","90","","120","","6807","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman chlorobenzene clathrate","","- C114 H125 Cl O12 -","- C114.001 H125.001 Cl1.0002 O12 -","- C342.004 H375.003 Cl3.0006 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0714","0.0583","","","0.142","0.1477","","","","","","1.004","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510067","26.971","0.001","26.971","","10.7851","0.0003","90","","90","","120","","6794.4","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman iodobenzene clathrate","","- C114 H125 I O12 -","- C114.001 H125.001 I1.0002 O12 -","- C342.004 H375.003 I3.0006 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.1283","0.1143","","","0.2206","0.2268","","","","","","1.163","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510068","26.9737","0.0006","26.9737","","10.8105","0.0002","90","","90","","120","","6811.7","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C114 H125 Br O12 -","- C114.001 H125.001 Br1.0002 O12 -","- C342.004 H375.003 Br3.0006 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0881","0.0854","","","0.1835","0.1847","","","","","","1.167","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510069","26.8442","0.0006","26.8442","","10.9227","0.0002","90","","90","","120","","6816.5","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman acetone clathrate","","- C57 H66 O7 -","- C57.0006 H66.0012 O7.0002 -","- C342.004 H396.007 O42.0012 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0587","0.0451","","","0.1144","0.1188","","","","","","1.001","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510070","26.9804","0.0008","26.9804","","10.8173","0.0002","90","","90","","120","","6819.4","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman toluene clathrate","","- C115 H128 O12 -","- C115.001 H128.002 O12 -","- C345.004 H384.005 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0946","0.0828","","","0.2136","0.2194","","","","","","1.004","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510071","26.904","0.0006","26.904","","10.885","0.0002","90","","90","","120","","6823.3","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman benzene clathrate","","- C114 H126 O12 -","- C114.001 H126.001 O12 -","- C342.004 H378.004 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0638","0.0485","","","0.1474","0.1546","","","","","","1.004","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510072","26.8873","0.0008","26.8873","","10.9267","0.0002","90","","90","","120","","6840.9","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman carbon tetrahydrofuran clathrate","","- C58 H68 O7 -","- C58.0008 H68.0016 O7.0002 -","- C348.005 H408.01 O42.0012 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.056","0.0458","","","0.1327","0.1378","","","","","","1.005","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510073","26.9547","0.0006","26.9547","","10.9143","0.0002","90","","90","","120","","6867.5","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman trimethyl acetonitrile clathrate","","- C113 H129 N O12 -","- C111.666 H129 N0.3332 O12 -","- C334.999 H387 N0.9996 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0709","0.0609","","","0.1664","0.1719","","","","","","1.002","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510074","42.009","0.005","5.9508","0.0006","13.5541","0.0014","90","","92.817","0.005","90","","3384.3","0.6","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H17 N5 -","- C21 H17 N5 -","- C168 H136 N40 -","8","2","","Laird, Rebecca C.; Nguyen, Nam P.; Rusch, Sara F.; Baltrusaitis, Jonas; Macgillivray, Leonard R.","Noncentrosymmetric Packings Influenced by Electronic Properties of Products of Click Reactions.","Crystal growth & design","2014","14","3","893","896","10.1021/cg4016542","","","0.71073","MoKα","","0.0506","0.0377","","","0.0879","0.0958","","","","","","1.05","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510075","37.7","0.004","5.7148","0.0006","7.2827","0.0008","90","","96.164","0.005","90","","1560","0.3","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H15 N5 -","- C20 H15 N5 -","- C80 H60 N20 -","4","1","","Laird, Rebecca C.; Nguyen, Nam P.; Rusch, Sara F.; Baltrusaitis, Jonas; Macgillivray, Leonard R.","Noncentrosymmetric Packings Influenced by Electronic Properties of Products of Click Reactions.","Crystal growth & design","2014","14","3","893","896","10.1021/cg4016542","","","0.71073","MoKα","","0.0797","0.0454","","","0.1027","0.1178","","","","","","0.977","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510076","10.667","0.002","18.767","0.004","11.252","0.002","90","","93.53","0.03","90","","2248.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-Bis-((4,6-Dimethyl-nicotinonitrile-yl)-sulfanyl)-benzene","","- C24 H22 N4 S2 -","- C24 H22 N4 S2 -","- C96 H88 N16 S8 -","4","1","","Dubey, Rashmi; Singh, Praveen; Singh, Ajeet K.; Yadav, Manoj K.; Swati, D.; Vinayak, Manjula; Puerta, Carmen; Valerga, Pedro; Ravi Kumar, K.; Sridhar, B.; Tewari, Ashish K.","Polymorphic Signature of the Anti-inflammatory Activity of 2,2′-{[1,2-Phenylenebis(methylene)]bis(sulfanediyl)}bis(4,6-dimethylnicotinonitrile)","Crystal Growth & Design","2014","14","3","1347","","10.1021/cg401842y","","x-ray","0.71073","MoKα","","0.1065","0.0602","","","0.1474","0.1793","","","","","","0.979","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510077","10.6469","0.001","18.7554","0.0017","11.2374","0.001","90","","93.539","0.002","90","","2239.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-Bis-((4,6-Dimethyl-nicotinonitrile-yl)-sulfanyl)-benzene","","- C24 H22 N4 S2 -","- C24 H22 N4 S2 -","- C96 H88 N16 S8 -","4","1","","Dubey, Rashmi; Singh, Praveen; Singh, Ajeet K.; Yadav, Manoj K.; Swati, D.; Vinayak, Manjula; Puerta, Carmen; Valerga, Pedro; Ravi Kumar, K.; Sridhar, B.; Tewari, Ashish K.","Polymorphic Signature of the Anti-inflammatory Activity of 2,2′-{[1,2-Phenylenebis(methylene)]bis(sulfanediyl)}bis(4,6-dimethylnicotinonitrile)","Crystal Growth & Design","2014","14","3","1347","","10.1021/cg401842y","","","0.71073","MoKα","","0.0602","0.0532","","","0.1456","0.1544","","","","","","1.028","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510078","15.815","0.003","18.657","0.004","14.626","0.003","90","","92.98","0.03","90","","4309.7","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis-((4,6-Dimethyl-nicotinonitrile-yl)-sulfanyl)-benzene","","- C24 H22 N4 S2 -","- C24 H22 N4 S2 -","- C192 H176 N32 S16 -","8","2","","Dubey, Rashmi; Singh, Praveen; Singh, Ajeet K.; Yadav, Manoj K.; Swati, D.; Vinayak, Manjula; Puerta, Carmen; Valerga, Pedro; Ravi Kumar, K.; Sridhar, B.; Tewari, Ashish K.","Polymorphic Signature of the Anti-inflammatory Activity of 2,2′-{[1,2-Phenylenebis(methylene)]bis(sulfanediyl)}bis(4,6-dimethylnicotinonitrile)","Crystal Growth & Design","2014","14","3","1347","","10.1021/cg401842y","","x-ray","0.71073","MoKα","","0.0849","0.0563","","","0.1241","0.1416","","","","","","1.033","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510079","11.5714","0.0005","11.5714","0.0005","22.773","0.002","90","","90","","120","","2640.7","0.3","293","2","293","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C17 H15 N2 O5 Zn -","- C17 H15 N2 O5 Zn -","- C102 H90 N12 O30 Zn6 -","6","0.5","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.1161","0.0694","","","0.1921","0.2336","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510080","8.301","0.003","11.146","0.004","13.363","0.005","86.427","0.007","84.122","0.007","83.573","0.008","1220.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H30 N7 O9 Zn -","- C17 H30 N7 O9 Zn -","- C34 H60 N14 O18 Zn2 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.0446","0.0394","","","0.0981","0.102","","","","","","0.988","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510081","8.1767","0.0007","9.8286","0.0005","10.5904","0.0012","96.118","0.006","110.718","0.009","98.952","0.006","774.24","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 N4 O4 Zn -","- C14 H16 N4 O4 Zn -","- C28 H32 N8 O8 Zn2 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.0689","0.0473","","","0.0932","0.1077","","","","","","0.989","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510082","14.774","0.006","15.653","0.007","16.871","0.007","90","","90","","90","","3902","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N8 O11 Zn2 -","- C36 H32 N8 O11 Zn2 -","- C144 H128 N32 O44 Zn8 -","4","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.119","0.09","","","0.2053","0.2249","","","","","","1.044","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510083","17.37","0.005","12.694","0.004","12.332","0.004","90","","92.587","0.006","90","","2716.4","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N4 O9 Zn2 -","- C24 H24 N4 O9 Zn2 -","- C96 H96 N16 O36 Zn8 -","4","0.5","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.0475","0.0399","","","0.1332","0.147","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510084","12.581","0.005","26.347","0.005","29.852","0.005","90","0.005","90","0.005","90","0.005","9895","5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H30 F30 O22 Pb6 -","- C80 H30 F30 O22 Pb6 -","- C320 H120 F120 O88 Pb24 -","4","1","","Santra, Atanu; Bharadwaj, Parimal K.","Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties","Crystal Growth & Design","2014","14","3","1476","","10.1021/cg500030k","","","0.71073","MoKα","","0.05","0.0391","","","0.0894","0.0953","","","","","","1.011","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510085","32.565","0.005","14.331","0.005","18.549","0.005","90","0.005","114.87","0.005","90","0.005","7854","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H18 F12 O10 Pb3 -","- C34 H18 F12 O10 Pb3 -","- C272 H144 F96 O80 Pb24 -","8","1","","Santra, Atanu; Bharadwaj, Parimal K.","Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties","Crystal Growth & Design","2014","14","3","1476","","10.1021/cg500030k","","","0.71069","MoKα","","0.0595","0.0448","","","0.1072","0.1157","","","","","","0.994","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510086","32.486","0.005","14.351","0.005","18.557","0.005","90","0.005","114.461","0.005","90","0.005","7875","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H20 F12 O10 Pb3 -","- C35 H20 F12 O10 Pb3 -","- C280 H160 F96 O80 Pb24 -","8","1","","Santra, Atanu; Bharadwaj, Parimal K.","Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties","Crystal Growth & Design","2014","14","3","1476","","10.1021/cg500030k","","","0.71069","MoKα","","0.0603","0.0454","","","0.1142","0.1244","","","","","","1.013","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510087","32.434","0.005","14.341","0.005","18.581","0.005","90","0.005","114.342","0.005","90","0.005","7874","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 F12 O10 Pb3 -","- C36 H22 F12 O10 Pb3 -","- C288 H176 F96 O80 Pb24 -","8","1","","Santra, Atanu; Bharadwaj, Parimal K.","Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties","Crystal Growth & Design","2014","14","3","1476","","10.1021/cg500030k","","","0.71069","MoKα","","0.0567","0.046","","","0.118","0.1261","","","","","","1.055","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510088","44.582","0.005","14.441","0.005","29.792","0.005","90","0.005","120.92","0.005","90","0.005","16455","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H24 F24 O21 Pb6 -","- C78 H24 F24 O21 Pb6 -","- C624 H192 F192 O168 Pb48 -","8","1","","Santra, Atanu; Bharadwaj, Parimal K.","Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties","Crystal Growth & Design","2014","14","3","1476","","10.1021/cg500030k","","","0.71069","MoKα","","0.0631","0.0413","","","0.1033","0.1103","","","","","","1.073","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510089","46.715","0.006","9.674","0.005","32.798","0.004","90","","100.79","0.005","90","","14560","8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 Cd2 N8 O16 -","- C54 H40 Cd2 N8 O16 -","- C432 H320 Cd16 N64 O128 -","8","1","","Sen, Susan; Yamada, Teppei; Kitagawa, Hiroshi; Bharadwaj, Parimal K.","3D Coordination Polymer of Cd(II) with an Imidazolium-Based Linker Showing Parallel Polycatenation Forming Channels with Aligned Imidazolium Groups","Crystal Growth & Design","2014","14","3","1240","","10.1021/cg401760m","","","0.71069","MoKα","","0.1672","0.0701","","","0.1564","0.1843","","","","","","0.803","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510090","7.2754","0.0011","16.048","0.003","25.129","0.004","90","","90","","90","","2934","0.8","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C120 H152 N24 O32 -","8","2","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide","Crystal Growth & Design","2014","14","3","1430","","10.1021/cg4019025","","","1.54178","CuKα","","0.0452","0.0385","","","0.0884","0.0908","","","","","","1.061","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510091","7.262","0.002","7.837","0.001","27.115","0.002","90","","96.43","0.02","90","","1533.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C60 H76 N12 O16 -","4","2","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide","Crystal Growth & Design","2014","14","3","1430","","10.1021/cg4019025","","","0.71073","MoKα","","0.0539","0.0472","","","0.1009","0.1054","","","","","","1.034","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510092","7.2139","0.0009","14.9348","0.0017","27.803","0.003","90","","90","","90","","2995.4","0.6","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Imazamox","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C120 H152 N24 O32 -","8","2","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide","Crystal Growth & Design","2014","14","3","1430","","10.1021/cg4019025","","","1.54178","CuKα","","0.0897","0.0582","","","0.1225","0.1363","","","","","","0.998","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510093","6.1344","0.0004","12.3989","0.0004","19.8456","0.0007","90","","90","","90","","1509.45","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","IMAZAMOX","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C60 H76 N12 O16 -","4","1","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide","Crystal Growth & Design","2014","14","3","1430","","10.1021/cg4019025","","","0.71073","MoKα","","0.0551","0.0428","","","0.099","0.1073","","","","","","0.949","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510094","28.0967","0.0008","28.0967","0.0008","22.9666","0.0014","90","","90","","120","","15701.4","1.1","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C54 H34 Li2 N0 O12 -","- C27 H17 Li O6 -","- C486 H306 Li18 O108 -","18","1","","Clough, Andrew; Zheng, Shou-Tian; Zhao, Xiang; Lin, Qipu; Feng, Pingyun; Bu, Xianhui","New Lithium Ion Clusters for Construction of Porous MOFs","Crystal Growth & Design","2014","14","3","897","","10.1021/cg4016756","","","0.71073","MoKα","","0.095","0.0677","","","0.1823","0.1971","","","","","","0.954","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510095","21.1288","0.0004","21.1288","0.0004","21.1288","0.0004","90","","90","","90","","9432.4","0.3","200","2","200","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C22 H22 Li4 N2 O13 -","- C21.9867 H6 Li4 N2 O13 -","- C263.84 H72 Li48 N24 O156 -","12","0.25","","Clough, Andrew; Zheng, Shou-Tian; Zhao, Xiang; Lin, Qipu; Feng, Pingyun; Bu, Xianhui","New Lithium Ion Clusters for Construction of Porous MOFs","Crystal Growth & Design","2014","14","3","897","","10.1021/cg4016756","","","0.71073","MoKα","","0.0999","0.0834","","","0.2352","0.2535","","","","","","1.182","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510096","20.852","0.003","20.852","0.003","56.734","0.019","90","","90","","120","","21363","8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C114 H162 Cu6 N30 O48 -","- C114 H144 Cu6 N30 O48 -","- C684 H864 Cu36 N180 O288 -","6","0.333333","","El Bakkali, Hanan; Choquesillo-Lazarte, Duane; Domínguez-Martín, Alicia; Pérez-Toro, M. Inmaculada; Lezama, L.; González-Pérez, Josefa M.; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan","Cocrystallization of Mononuclear and Trinuclear Metallacycle Molecules from an Aqueous Mixed-Ligand Copper(II) Solution","Crystal Growth & Design","2014","14","3","889","","10.1021/cg4015898","","","0.71073","MoKα","","0.1164","0.0674","","","0.1713","0.1953","","","","","","0.992","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510097","13.299","0.0016","8.0627","0.001","22.101","0.003","90","","100.795","0.007","90","","2327.9","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C104 H88 N24 O16 -","8","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0571","0.0426","","","0.1136","0.1225","","","","","","1.052","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510098","7.279","0.004","11.601","0.006","13.669","0.007","90","","100.809","0.008","90","","1133.8","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0704","0.0485","","","0.1073","0.1161","","","","","","1.039","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510099","7.4624","0.0016","7.7677","0.0017","10.981","0.002","91.289","0.006","95.146","0.007","102.19","0.007","619.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0589","0.0467","","","0.1249","0.1335","","","","","","1.036","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510100","7.47","0.0007","6.7036","0.0006","24.933","0.002","90","","104.302","0.007","90","","1209.85","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O4 -","- C13 H9 N3 O4 -","- C52 H36 N12 O16 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0658","0.058","","","0.1549","0.1604","","","","","","1.108","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510101","9.0486","0.0011","10.8727","0.0013","23.603","0.003","90","","98.1","0.007","90","","2299","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C104 H96 N8 O24 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71075","MoKα","","0.0775","0.0514","","","0.1171","0.1293","","","","","","1.04","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510102","17.085","0.019","5.193","0.005","22.891","0.016","90","","112.28","0.06","90","","1879","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O5 -","- C20 H20 N4 O5 -","- C80 H80 N16 O20 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.1038","0.0692","","","0.1615","0.2001","","","","","","1.145","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510103","11.481","0.004","17.733","0.005","18.57","0.006","76.543","0.005","88.68","0.006","81.754","0.006","3639","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O6 -","- C28 H28 N2 O6 -","- C168 H168 N12 O36 -","6","3","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.1657","0.0746","","","0.172","0.2146","","","","","","1.036","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510104","8.874","0.005","6.631","0.004","21.677","0.01","90","","110.72","0.018","90","","1193","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N4 O8 -","- C26 H22 N4 O8 -","- C52 H44 N8 O16 -","2","0.5","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0514","0.041","","","0.0966","0.1021","","","","","","1.052","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510105","10.0131","0.0009","9.7642","0.0008","12.7953","0.0011","90","","99.809","0.007","90","","1232.71","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0642","0.0451","","","0.104","0.1136","","","","","","1.042","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510106","8.968","","9.451","","9.637","","108.53","","105.05","","103.4","","702.458","","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C26 H36 N4 O8 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0677","0.0541","","","0.1468","0.1566","","","","","","1.032","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510107","9.3411","0.0016","9.6823","0.0017","10.1738","0.0017","67.609","0.005","67.912","0.005","88.549","0.006","780.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 N3 O4 -","- C14 H21 N3 O4 -","- C28 H42 N6 O8 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0713","0.0515","","","0.1445","0.1593","","","","","","0.978","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510108","7.9027","0.0016","9.251","0.002","9.692","0.002","70.636","0.005","77.528","0.007","79.727","0.007","648.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C28 H32 N4 O6 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.089","0.0535","","","0.1204","0.1383","","","","","","0.962","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510109","9.612","0.002","10.0841","0.0002","12.239","0.003","72.85","0.04","84.64","0.06","71.17","0.05","1072.9","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O6 -","- C23 H26 N2 O6 -","- C46 H52 N4 O12 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.1165","0.0681","","","0.1455","0.2061","","","","","","1.328","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510110","6.6469","0.0008","12.9935","0.0015","16.782","0.002","90","","94.544","0.007","90","","1444.8","0.3","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0452","0.0395","","","0.0912","0.0942","","","","","","1.062","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510111","11.0254","0.0019","11.0167","0.0019","16.124","0.002","90","","127.876","0.008","90","","1545.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O4 -","- C15 H21 N2 O4 -","- C60 H84 N8 O16 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.1125","0.0818","","","0.2038","0.218","","","","","","1.156","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510112","11.47","0.002","10.6498","0.0019","13.027","0.002","90","","121.303","0.011","90","","1359.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O3 -","- C14 H18 N2 O3 -","- C56 H72 N8 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.1038","0.0562","","","0.1354","0.1665","","","","","","1.095","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510113","11.2644","0.0019","11.2611","0.0019","21.64","0.004","90","","91.271","0.006","90","","2744.3","0.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C112 H120 N24 O32 -","8","2","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0642","0.0508","","","0.1058","0.1115","","","","","","1.071","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510114","14.895","0.005","9.852","0.002","5.353","0.002","90","","90","","90","","785.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 N3 O3 -","- C6 H13 N3 O3 -","- C24 H52 N12 O12 -","4","1","","Allouchi, Hassan; Nicolaï, Béatrice; Barrio, Maria; Céolin, René; Mahé, Nathalie; Tamarit, Josep-Lluís; Do, Bernard; Rietveld, Ivo B.","On the Polymorphism ofl-Citrulline: Crystal Structure and Characterization of the Orthorhombic δ Form","Crystal Growth & Design","2014","14","3","1279","","10.1021/cg401801u","","","1.5418","CuKα","","0.0661","0.0469","","","0.1144","0.1333","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510115","8.6615","0.0013","9.2005","0.0014","11.4927","0.0017","95.719","0.002","107.982","0.002","101.265","0.002","841.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 I N2 O2 S -","- C15 H19 I N2 O2 S -","- C30 H38 I2 N4 O4 S2 -","2","1","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0302","0.0271","","","0.0628","0.0651","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510116","8.5794","0.0007","11.5623","0.001","12.2139","0.001","113.886","0.0012","107.764","0.0012","90.7049","0.0014","1042.09","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 I3 N2 O2 S -","- C15 H19 I3 N2 O2 S -","- C30 H38 I6 N4 O4 S2 -","2","1","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0393","0.0335","","","0.0713","0.0765","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510117","8.8726","0.0008","10.5812","0.0009","11.2061","0.001","94.041","0.001","104.4","0.001","90.717","0.001","1015.98","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 I2 N2 O2 S -","- C18 H22 I2 N2 O2 S -","- C36 H44 I4 N4 O4 S2 -","2","1","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0314","0.0254","","","0.0542","0.0573","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510118","25.3481","0.0018","5.9873","0.0004","28.34","0.002","90","","105.553","0.001","90","","4143.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 I5 N4 O4 S2 -","- C33 H40 I5 N4 O4 S2 -","- C132 H160 I20 N16 O16 S8 -","4","1","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0651","0.0432","","","0.0896","0.1012","","","","","","1.019","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510119","26.487","0.003","5.8297","0.0007","25.371","0.003","90","","101.571","0.003","90","","3838","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 I5 N4 O4 S2 -","- C30 H37 I5 N4 O4 S2 -","- C120 H148 I20 N16 O16 S8 -","4","0.5","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.1155","0.0496","","","0.0835","0.1052","","","","","","0.994","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510120","16.9768","0.0014","6.0927","0.0005","25.167","0.0015","90","","132.421","0.003","90","","1921.7","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30 H37 I5 N4 O4 S2 -","- C30 H37 I5 N4 O4 S2 -","- C60 H74 I10 N8 O8 S4 -","2","1","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0895","0.0578","","","0.0769","0.0874","","","","","","1.012","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510121","14.7755","0.0019","5.8535","0.0007","26.013","0.003","90","","110.101","0.006","90","","2112.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 I7 N4 O4 S2 -","- C30 H37 I7 N4 O4 S2 -","- C60 H74 I14 N8 O8 S4 -","2","0.5","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0457","0.036","","","0.074","0.0779","","","","","","1.129","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510122","9.536","0.002","28.337","0.007","13.672","0.004","90","","93.694","0.005","90","","3686.8","1.6","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 N6 O22 P5 U2 Zn -","- C20 H26 N6 O22 P5 U2 Zn -","- C80 H104 N24 O88 P20 U8 Zn4 -","4","1","","Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming","Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands","Crystal Growth & Design","2014","14","3","1366","","10.1021/cg401850v","","","0.71073","MoKα","","0.114","0.063","","","0.1247","0.144","","","","","","1.021","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510123","10.7002","0.0005","18.6131","0.0009","9.4676","0.0005","90","","98.226","0.001","90","","1866.2","0.16","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O9 P2 U Zn -","- C13 H14 N2 O9 P2 U Zn -","- C52 H56 N8 O36 P8 U4 Zn4 -","4","1","","Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming","Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands","Crystal Growth & Design","2014","14","3","1366","","10.1021/cg401850v","","","0.71073","MoKα","","0.0417","0.0319","","","0.0648","0.0681","","","","","","1.031","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510124","8.635","0.002","10.233","0.002","20.868","0.005","90","","100.692","0.003","90","","1811.9","0.7","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O8 P2 U Zn -","- C13 H14 N2 O8 P2 U Zn -","- C52 H56 N8 O32 P8 U4 Zn4 -","4","1","","Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming","Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands","Crystal Growth & Design","2014","14","3","1366","","10.1021/cg401850v","","","0.71073","MoKα","","0.0337","0.0254","","","0.0564","0.0595","","","","","","1.025","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510125","12.2596","0.0009","12.603","0.001","13.043","0.001","99.225","0.001","105.58","0.001","105.042","0.001","1816.5","0.2","139","2","139","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H66 N8 O28 P6 U3 Zn2 -","- C60 H58 N8 O28 P6 U3 Zn2 -","- C60 H58 N8 O28 P6 U3 Zn2 -","1","0.5","","Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming","Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands","Crystal Growth & Design","2014","14","3","1366","","10.1021/cg401850v","","","0.71073","MoKα","","0.059","0.0396","","","0.0767","0.0853","","","","","","1.032","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510126","9.5793","0.0005","11.5325","0.0006","14.0533","0.0008","84.971","0.001","72.14","0.001","78.808","0.001","1448.94","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H54 N4 O30 P8 U3 Zn2 -","- C36 H54 N4 O30 P8 U3 Zn2 -","- C36 H54 N4 O30 P8 U3 Zn2 -","1","0.5","","Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming","Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands","Crystal Growth & Design","2014","14","3","1366","","10.1021/cg401850v","","","0.71073","MoKα","","0.0451","0.0343","","","0.0692","0.0771","","","","","","1.007","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510127","22.389","0.003","8.2386","0.0011","16.762","0.014","90","","90","","90","","3092","3","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H21 N4 O2 -","- C14 H21 N4 O2 -","- C112 H168 N32 O16 -","8","1","","Han, Lu-Lu; Li, Zhong-Hui; Chen, Jiang-Shan; Wang, Xing-Po; Sun, Di","Solution and Mechanochemical Syntheses of Two Novel Cocrystals: Ligand Length Modulated Interpenetration of Hydrogen-Bonded 2D 63-hcb Networks Based on a Robust Trimeric Heterosynthon","Crystal Growth & Design","2014","14","3","1221","","10.1021/cg4017454","","","0.71073","MoKα","","0.1231","0.0678","","","0.1808","0.2178","","","","","","1.057","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510128","7.5238","0.0009","16.626","0.002","26.574","0.003","90","","90","","90","","3324.2","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H23 N4 O2 -","- C15 H23 N4 O2 -","- C120 H184 N32 O16 -","8","1","","Han, Lu-Lu; Li, Zhong-Hui; Chen, Jiang-Shan; Wang, Xing-Po; Sun, Di","Solution and Mechanochemical Syntheses of Two Novel Cocrystals: Ligand Length Modulated Interpenetration of Hydrogen-Bonded 2D 63-hcb Networks Based on a Robust Trimeric Heterosynthon","Crystal Growth & Design","2014","14","3","1221","","10.1021/cg4017454","","","0.71073","MoKα","","0.121","0.0656","","","0.1553","0.183","","","","","","1.037","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510129","8.821","0.005","18.955","0.009","9.288","0.005","90","","109.557","0.008","90","","1463.4","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Eu O10 -","- C12 H8 Eu O10 -","- C48 H32 Eu4 O40 -","4","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","0.71073","MoKα","","0.0489","0.0394","","","0.0888","0.0948","","","","","","1.057","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510130","8.728","0.005","18.911","0.01","9.289","0.006","90","","109.307","0.009","90","","1447","1.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O10 Tb -","- C12 H8 O10 Tb -","- C48 H32 O40 Tb4 -","4","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","0.71073","MoKα","","0.0479","0.0428","","","0.1099","0.1152","","","","","","1.064","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510131","8.783","0.005","18.952","0.009","9.285","0.005","90","","109.398","0.009","90","","1457.8","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Gd O10 -","- C12 H8 Gd O10 -","- C48 H32 Gd4 O40 -","4","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","0.71073","MoKα","","0.0469","0.0392","","","0.0935","0.1005","","","","","","1.06","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510132","11.0981","0.0004","12.3","0.0005","13.324","0.0006","77.141","0.004","77.071","0.003","79.576","0.003","1711.71","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Eu N0 O16 -","- C24 H10 Eu O16 -","- C48 H20 Eu2 O32 -","2","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","1.5418","CuKα","","0.0453","0.0441","","","0.1148","0.1159","","","","","","1.076","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510133","11.1102","0.0003","12.2579","0.0004","13.287","0.0005","77.034","0.003","76.785","0.003","79.413","0.003","1699.88","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N0 O16 Tb -","- C24 H8 O16 Tb -","- C48 H16 O32 Tb2 -","2","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","1.5418","CuKα","","0.039","0.0374","","","0.1025","0.104","","","","","","1.092","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510134","11.109","0.0004","12.2814","0.0005","13.3034","0.0005","77.155","0.004","77.056","0.003","79.616","0.003","1708.32","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Gd N0 O16 -","- C24 H10 Gd O16 -","- C48 H20 Gd2 O32 -","2","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","1.5418","CuKα","","0.0431","0.0422","","","0.1127","0.1138","","","","","","1.073","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510135","4.986","0.0002","14.6944","0.0007","16.868","0.0008","90","","96.905","0.001","90","","1226.89","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N4 O6 -","- C28 H24 N4 O6 -","- C56 H48 N8 O12 -","2","0.5","","Xu, Weiwei L.; Smith, Mark D.; Krause, Jeanette A.; Greytak, Andrew B.; Ma, Shuguo; Read, Cory M.; Shimizu, Linda S.","Single Crystal to Single Crystal Polymerization of a Self-Assembled Diacetylene Macrocycle Affords Columnar Polydiacetylenes","Crystal Growth & Design","2014","14","3","993","","10.1021/cg401380a","","","0.71073","MoKα","","0.0488","0.0418","","","0.1047","0.1102","","","","","","1.035","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510136","4.5301","0.001","11.579","0.003","12.321","0.003","111.787","0.003","99.823","0.003","97.184","0.003","578.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 N4 O5 -","- C29 H20 N4 O5 -","- C29 H20 N4 O5 -","1","0.5","","Xu, Weiwei L.; Smith, Mark D.; Krause, Jeanette A.; Greytak, Andrew B.; Ma, Shuguo; Read, Cory M.; Shimizu, Linda S.","Single Crystal to Single Crystal Polymerization of a Self-Assembled Diacetylene Macrocycle Affords Columnar Polydiacetylenes","Crystal Growth & Design","2014","14","3","993","","10.1021/cg401380a","","","0.7749","synchrotron","","0.1339","0.0989","","","0.267","0.2975","","","","","","1.088","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510137","8.9148","0.0005","9.4752","0.0005","9.8948","0.0005","110.584","0.001","108.502","0.001","104.815","0.001","675.53","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N4 O8 -","- C28 H28 N4 O8 -","- C28 H28 N4 O8 -","1","0.5","","Xu, Weiwei L.; Smith, Mark D.; Krause, Jeanette A.; Greytak, Andrew B.; Ma, Shuguo; Read, Cory M.; Shimizu, Linda S.","Single Crystal to Single Crystal Polymerization of a Self-Assembled Diacetylene Macrocycle Affords Columnar Polydiacetylenes","Crystal Growth & Design","2014","14","3","993","","10.1021/cg401380a","","","0.71073","MoKα","","0.0737","0.0406","","","0.0803","0.092","","","","","","0.893","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510138","4.895","0.003","14.586","0.008","16.285","0.009","90","","104.125","0.011","90","","1127.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N4 O4 -","- C28 H20 N4 O4 -","- C56 H40 N8 O8 -","2","0.5","","Xu, Weiwei L.; Smith, Mark D.; Krause, Jeanette A.; Greytak, Andrew B.; Ma, Shuguo; Read, Cory M.; Shimizu, Linda S.","Single Crystal to Single Crystal Polymerization of a Self-Assembled Diacetylene Macrocycle Affords Columnar Polydiacetylenes","Crystal Growth & Design","2014","14","3","993","","10.1021/cg401380a","","","0.71073","MoKα","","0.0831","0.0599","","","0.1354","0.146","","","","","","1.072","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510139","11.7527","0.0002","11.8972","0.0002","13.3762","0.0002","90","","90","","90","","1870.32","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Cu4 I4 S2 -","- C8 H16 Cu4 I4 S2 -","- C32 H64 Cu16 I16 S8 -","4","1","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0462","0.0458","","","0.1166","0.1169","","","","","","1.08","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510140","9.5915","0.0002","10.8378","0.0003","15.7597","0.0004","73.217","0.001","72.4319","0.0012","69.2273","0.0011","1429.64","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 Cu4 I4 S4 -","- C16 H32 Cu4 I4 S4 -","- C32 H64 Cu8 I8 S8 -","2","1","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0517","0.0501","","","0.1613","0.1621","","","","","","1.163","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510141","22.7901","0.0007","13.2617","0.0004","16.0147","0.0005","90","","90.1331","0.0011","90","","4840.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H27 Cu3 I3 N S3 -","- C14 H27 Cu3 I3 N S3 -","- C112 H216 Cu24 I24 N8 S24 -","8","1","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0312","0.0304","","","0.078","0.0785","","","","","","1.175","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510142","9.5824","0.0002","34.9161","0.0006","17.9841","0.0003","90","","91.281","0.001","90","","6015.62","0.19","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 Cu4 I4 S4 -","- C16 H32 Cu4 I4 S4 -","- C128 H256 Cu32 I32 S32 -","8","2","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0529","0.0476","","","0.1142","0.1182","","","","","","1.064","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510143","11.9107","0.0004","12.2273","0.0004","21.0371","0.0006","90","","97.434","0.002","90","","3038","0.17","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H59 Cu10 I10 N S7 -","- C30 H59 Cu10 I10 N S7 -","- C60 H118 Cu20 I20 N2 S14 -","2","0.5","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0686","0.0545","","","0.1428","0.1531","","","","","","1.14","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510144","8.8461","0.0013","10.328","0.0015","15.349","0.002","107.093","0.003","103.143","0.003","94.373","0.003","1289.8","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H36 F6 Fe2 N12 S2 -","- C62 H36 F6 Fe2 N12 S2 -","- C62 H36 F6 Fe2 N12 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.1244","0.0766","","","0.2108","0.2385","","","","","","1.038","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510145","8.9102","0.0011","19.302","0.002","15.1245","0.0018","90","","94.102","0.002","90","","2594.5","0.5","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H36 F6 Fe2 N12 -","- C62 H36 F6 Fe2 N12 -","- C124 H72 F12 Fe4 N24 -","2","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.1339","0.0526","","","0.0885","0.1084","","","","","","1.02","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510146","8.618","0.003","10.569","0.005","11.615","0.005","102.884","0.006","90.817","0.006","94.545","0.006","1027.5","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 F8 Fe2 N8 -","- C50 H30 F8 Fe2 N8 -","- C50 H30 F8 Fe2 N8 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71069","MoKα","","0.0427","0.0415","","","0.1135","0.1147","","","","","","1.024","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510147","23.7236","0.0009","13.0622","0.0005","29.5079","0.0012","90","","90","","90","","9144","0.6","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H34 F8 Fe2 N8 -","- C52 H34 F8 Fe2 N8 -","- C416 H272 F64 Fe16 N64 -","8","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.0888","0.0498","","","0.1124","0.1306","","","","","","1.012","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510148","11.373","0.002","12.066","0.002","15.327","0.003","79.997","0.004","72.885","0.004","73.854","0.004","1921.2","0.6","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H30 F6 Fe2 N6 S2 -","- C44 H30 F6 Fe2 N6 S2 -","- C88 H60 F12 Fe4 N12 S4 -","2","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.1017","0.0597","","","0.1504","0.1702","","","","","","1.035","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510149","20.898","0.004","12.177","0.002","15.722","0.003","90","","114.889","0.003","90","","3629.3","1.2","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H34 F4 Fe2 N4 -","- C40 H34 F4 Fe2 N4 -","- C160 H136 F16 Fe8 N16 -","4","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.12","0.0852","","","0.2637","0.2949","","","","","","1.078","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510150","12.0515","0.0007","12.685","0.0008","14.0055","0.0008","99.383","0.001","112.387","0.001","102.404","0.001","1861.07","0.19","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 F2 Fe2 N4 -","- C42 H40 F2 Fe2 N4 -","- C84 H80 F4 Fe4 N8 -","2","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.0533","0.0446","","","0.1344","0.1438","","","","","","1.023","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510151","12.2511","0.0017","12.3531","0.0018","15.823","0.002","67.104","0.003","69.177","0.003","61.263","0.003","1891.8","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 F4 Fe2 N4 -","- C42 H38 F4 Fe2 N4 -","- C84 H76 F8 Fe4 N8 -","2","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.1181","0.0576","","","0.1221","0.147","","","","","","0.951","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510152","29.4296","0.0019","12.2475","0.0007","21.0413","0.0011","90","","103.236","0.002","90","","7382.6","0.7","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 F4 Fe2 N4 -","- C41 H35.99 F4 Fe2 N4 -","- C328 H287.92 F32 Fe16 N32 -","8","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.0984","0.0557","","","0.1608","0.1885","","","","","","1.046","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510153","8.226","0.003","21.294","0.007","20.955","0.006","90","","95.088","0.006","90","","3656","2","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Fe2 N4 Ni S4 -","- C36 H34 Fe2 N4 Ni S4 -","- C144 H136 Fe8 N16 Ni4 S16 -","4","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.0629","0.0522","","","0.1363","0.1476","","","","","","1.042","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510154","18.4129","0.0009","18.4129","0.0009","12.3856","0.0007","90","","90","","120","","3636.6","0.3","210","2","210","2","","","","","","","","5","P 65","P 65","170","","","","- C4 H10 N2 O20 U3 -","- C4 H10 N2 O20 U3 -","- C24 H60 N12 O120 U18 -","6","1","","de Groot, Joshua; Gojdas, Kyle; Unruh, Daniel K.; Forbes, Tori Z.","Use of Charge-Assisted Hydrogen Bonding in the Supramolecular Assembly of Hybrid Uranyl Materials","Crystal Growth & Design","2014","14","3","1357","","10.1021/cg401849r","","","0.71073","MoKα","","0.0319","0.0269","","","0.0617","0.0637","","","","","","1.11","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510155","15.1783","0.0012","13.5727","0.001","21.9418","0.0013","90","","114.569","0.004","90","","4111","0.5","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 N5 O39 U5 -","- C8 H20 N5 O39 U5 -","- C32 H80 N20 O156 U20 -","4","1","","de Groot, Joshua; Gojdas, Kyle; Unruh, Daniel K.; Forbes, Tori Z.","Use of Charge-Assisted Hydrogen Bonding in the Supramolecular Assembly of Hybrid Uranyl Materials","Crystal Growth & Design","2014","14","3","1357","","10.1021/cg401849r","","","0.71073","MoKα","","0.0366","0.0246","","","0.0538","0.0583","","","","","","1.05","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510156","10.761","0.004","12.478","0.004","15.846","0.005","90","","90","","90","","2127.7","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 N3 O20 U3 -","- C6 H14 N3 O20 U3 -","- C24 H56 N12 O80 U12 -","4","1","","de Groot, Joshua; Gojdas, Kyle; Unruh, Daniel K.; Forbes, Tori Z.","Use of Charge-Assisted Hydrogen Bonding in the Supramolecular Assembly of Hybrid Uranyl Materials","Crystal Growth & Design","2014","14","3","1357","","10.1021/cg401849r","","","0.71073","MoKα","","0.0283","0.0234","","","0.0418","0.0433","","","","","","1.062","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510157","10.3413","0.0013","11.9522","0.0016","13.6997","0.0017","104.168","0.002","96.189","0.002","95.169","0.002","1620.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H64 As6 Cu3 Mo6 N16 O42 -","- C24 H58 As6 Cu3 Mo6 N16 O42 -","- C24 H58 As6 Cu3 Mo6 N16 O42 -","1","0.5","","Zhao, Jun-Wei; Zhang, Jing-Li; Li, Yan-Zhou; Cao, Jing; Chen, Li-Juan","Novel One-Dimensional Organic‒Inorganic Polyoxometalate Hybrids Constructed from Heteropolymolybdate Units and Copper‒Aminoacid Complexes","Crystal Growth & Design","2014","14","3","1467","","10.1021/cg500019g","","","0.71073","MoKα","","0.0678","0.0576","","","0.1554","0.1596","","","","","","1.089","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510158","10.9476","0.0009","11.3888","0.0009","16.2334","0.0013","89.329","0.001","78.608","0.001","82.383","0.001","1966.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H100 Cu3 Mo6 N24 O44 Te -","- C36 H84 Cu3 Mo6 N24 O44 Te -","- C36 H84 Cu3 Mo6 N24 O44 Te -","1","0.5","","Zhao, Jun-Wei; Zhang, Jing-Li; Li, Yan-Zhou; Cao, Jing; Chen, Li-Juan","Novel One-Dimensional Organic‒Inorganic Polyoxometalate Hybrids Constructed from Heteropolymolybdate Units and Copper‒Aminoacid Complexes","Crystal Growth & Design","2014","14","3","1467","","10.1021/cg500019g","","","0.71073","MoKα","","0.0472","0.0377","","","0.0931","0.0979","","","","","","1.028","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510159","6.329","0.005","17.445","0.015","21.917","0.018","90","","90","","90","","2420","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C96 H120 N8 O20 -","4","1","","Bera, Santu; Jana, Poulami; Maity, Suman K.; Haldar, Debasish","Inhibition of Fibril Formation by Tyrosine Modification of Diphenylalanine: Crystallographic Insights","Crystal Growth & Design","2014","14","3","1032","","10.1021/cg4015042","","","0.71073","MoKα","","0.179","0.0814","","","0.1844","0.2291","","","","","","1.007","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510160","21.195","0.004","23.059","0.005","5.1058","0.0011","90","","90","","90","","2495.4","0.9","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H62 N4 O15 -","- C48 H62 N4 O15 -","- C96 H124 N8 O30 -","2","0.5","","Bera, Santu; Jana, Poulami; Maity, Suman K.; Haldar, Debasish","Inhibition of Fibril Formation by Tyrosine Modification of Diphenylalanine: Crystallographic Insights","Crystal Growth & Design","2014","14","3","1032","","10.1021/cg4015042","","","0.71073","MoKα","","0.1239","0.064","","","0.1112","0.1482","","","","","","1.091","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510161","5.071","0.001","13.93","0.01","16.36","0.01","90","","90.01","0.02","90","","1155.7","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O6 -","- C24 H30 N2 O6 -","- C48 H60 N4 O12 -","2","1","","Bera, Santu; Jana, Poulami; Maity, Suman K.; Haldar, Debasish","Inhibition of Fibril Formation by Tyrosine Modification of Diphenylalanine: Crystallographic Insights","Crystal Growth & Design","2014","14","3","1032","","10.1021/cg4015042","","","0.71073","MoKα","","0.1486","0.068","","","0.1394","0.1939","","","","","","0.959","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510162","12.898","0.0006","5.6734","0.0003","22.5802","0.0012","90","","104","0.001","90","","1603.24","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","","Stokes, Stephen P.; Seaton, Colin C.; Eccles, Kevin S.; Maguire, Anita R.; Lawrence, Simon E.","Insight into the Mechanism of Formation of Channel Hydrates via Templating","Crystal Growth & Design","2014","14","3","1158","","10.1021/cg401660h","","","0.71073","MoKα","","0.0848","0.0419","","","0.1021","0.1142","","","","","","0.882","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510163","8.7604","0.001","10.0725","0.0012","25.881","0.003","96.591","0.003","92.22","0.003","90.392","0.003","2266.8","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 O4 S10 -","- C16 H12 O4 S10 -","- C64 H48 O16 S40 -","4","2","","Terauchi, Takeshi; Sumi, Satoshi; Kobayashi, Yuka; Matsushita, Yoshitaka; Sato, Akira","Two-Dimensional Brickblock Arrangement in Bis-Fused Tetrathiafulvalene Semiconductors","Crystal Growth & Design","2014","14","3","1412","","10.1021/cg401883g","","","0.710747","MoKα","","0.0951","0.055","","","0.1027","0.1193","","","","","","0.844","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510164","8.1166","0.0015","9.2828","0.0017","14.75","0.003","76.56","0.006","84.187","0.008","85.037","0.008","1073.1","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 O4 S10 -","- C16 H10 O4 S10 -","- C32 H20 O8 S20 -","2","1","","Terauchi, Takeshi; Sumi, Satoshi; Kobayashi, Yuka; Matsushita, Yoshitaka; Sato, Akira","Two-Dimensional Brickblock Arrangement in Bis-Fused Tetrathiafulvalene Semiconductors","Crystal Growth & Design","2014","14","3","1412","","10.1021/cg401883g","","","0.710747","MoKα","","0.0858","0.0432","","","0.0843","0.0984","","","","","","0.956","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510165","22.3221","0.0004","22.749","0.0004","22.8496","0.0004","79.364","0.001","73.353","0.001","73.142","0.001","10573.7","0.3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C96 H88 B18 Co O8 P3 -","- C96 H88 B18 Co O8 P3 -","- C384 H352 B72 Co4 O32 P12 -","4","2","","Kennedy, Robert D.; Clingerman, Daniel J.; Morris, William; Wilmer, Christopher E.; Sarjeant, Amy A.; Stern, Charlotte L.; O’Keeffe, Michael; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Metallacarborane-Based Metal‒Organic Framework with a Complex Topology","Crystal Growth & Design","2014","14","3","1324","","10.1021/cg401817g","","","1.54178","CuKα","","0.1135","0.0793","","","0.2234","0.2469","","","","","","1.012","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510166","36.549","0.003","38.148","0.003","55.536","0.004","90","","90","","90","","77432","10","100","2","99.99","","","","","","","","","6","I m m m","-I 2 2","71","","","","- C72 H78 B54 Co3 Cu6 O30 -","- C72 H78 B54 Co3 Cu6 O30 -","- C576 H624 B432 Co24 Cu48 O240 -","8","0.5","","Kennedy, Robert D.; Clingerman, Daniel J.; Morris, William; Wilmer, Christopher E.; Sarjeant, Amy A.; Stern, Charlotte L.; O’Keeffe, Michael; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Metallacarborane-Based Metal‒Organic Framework with a Complex Topology","Crystal Growth & Design","2014","14","3","1324","","10.1021/cg401817g","","","1.54178","CuKα","","0.1358","0.0939","","","0.2551","0.272","","","","","","0.979","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510167","18.248","0.002","18.248","0.002","47.113","0.007","90","","90","","120","","13586","3","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C24 H26 B18 Co Cu2 O10 -","- C24 H26 B18 Co Cu2 O10 -","- C144 H156 B108 Co6 Cu12 O60 -","6","0.5","","Kennedy, Robert D.; Clingerman, Daniel J.; Morris, William; Wilmer, Christopher E.; Sarjeant, Amy A.; Stern, Charlotte L.; O’Keeffe, Michael; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Metallacarborane-Based Metal‒Organic Framework with a Complex Topology","Crystal Growth & Design","2014","14","3","1324","","10.1021/cg401817g","","","1.54178","CuKα","","0.2107","0.1544","","","0.4582","0.4944","","","","","","1.778","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510168","10.7991","0.0005","13.1642","0.0006","21.7471","0.0009","82.24","0.002","76.013","0.002","76.535","0.002","2907.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H134 B36 Co2 Cs2 O29 -","- C84 H134 B36 Co2 Cs2 O29 -","- C84 H134 B36 Co2 Cs2 O29 -","1","0.5","","Kennedy, Robert D.; Clingerman, Daniel J.; Morris, William; Wilmer, Christopher E.; Sarjeant, Amy A.; Stern, Charlotte L.; O’Keeffe, Michael; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Metallacarborane-Based Metal‒Organic Framework with a Complex Topology","Crystal Growth & Design","2014","14","3","1324","","10.1021/cg401817g","","","1.54178","CuKα","","0.0511","0.0454","","","0.117","0.1241","","","","","","1.042","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510169","15.5106","0.001","6.2871","0.0004","14.1238","0.001","90","","106.086","0.003","90","","1323.38","0.15","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","214544 (3709-57-04)","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C60 H56 N8 O16 -","4","1","","Bevill, Melanie J.; Vlahova, Petinka I.; Smit, Jared P.","Polymorphic Cocrystals of Nutraceutical Compoundp-Coumaric Acid with Nicotinamide: Characterization, Relative Solid-State Stability, and Conversion to Alternate Stoichiometries","Crystal Growth & Design","2014","14","3","1438","","10.1021/cg4019037","","","0.71073","MoKα","","0.0603","0.0461","","","0.1292","0.1408","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510170","40.076","0.002","7.1979","0.0004","22.2876","0.0012","90","","122.479","0.002","90","","5423.6","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","212394 (3709-54-05)","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C240 H224 N32 O64 -","16","2","","Bevill, Melanie J.; Vlahova, Petinka I.; Smit, Jared P.","Polymorphic Cocrystals of Nutraceutical Compoundp-Coumaric Acid with Nicotinamide: Characterization, Relative Solid-State Stability, and Conversion to Alternate Stoichiometries","Crystal Growth & Design","2014","14","3","1438","","10.1021/cg4019037","","","0.71073","MoKα","","0.0887","0.0537","","","0.1346","0.1492","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510171","14.9929","0.0011","8.4425","0.0006","19.9004","0.0013","90","","109.337","0.001","90","","2376.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cd2 N2 O9 -","- C26 H16 Cd2 N2 O9 -","- C104 H64 Cd8 N8 O36 -","4","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0274","0.0237","","","0.0545","0.0562","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510172","7.6105","0.0006","16.907","0.0012","18.8834","0.0014","90","","90","","90","","2429.7","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Cd N O5 -","- C13 H7 Cd N O5 -","- C104 H56 Cd8 N8 O40 -","8","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0265","0.0238","","","0.0526","0.0542","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510173","14.4791","0.0009","12.5483","0.0009","15.9612","0.0011","90","","93.14","0.001","90","","2895.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd2 N2 O15 -","- C26 H14 Cd2 N2 O15 -","- C104 H56 Cd8 N8 O60 -","4","0.5","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0265","0.0244","","","0.0699","0.0713","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510174","14.2014","0.0019","31.085","0.003","12.2254","0.0013","90","","120.053","0.002","90","","4671.4","0.9","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H13 Cd N2 O5 -","- C18 H13 Cd N2 O5 -","- C144 H104 Cd8 N16 O40 -","8","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0596","0.0402","","","0.0853","0.0897","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510175","16.6363","0.0013","11.7664","0.0009","11.7332","0.0009","90","","96.052","0.001","90","","2284","0.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H22 Cd2 N4 O11 -","- C36 H22 Cd2 N4 O11 -","- C72 H44 Cd4 N8 O22 -","2","0.5","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0293","0.0277","","","0.0699","0.0708","","","","","","1.054","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510176","8.7982","0.0016","11.695","0.002","18.886","0.003","103.833","0.003","93.527","0.003","105.995","0.003","1796.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 Cd2 N4 O8 -","- C36 H22 Cd2 N4 O8 -","- C72 H44 Cd4 N8 O16 -","2","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0789","0.0665","","","0.2184","0.2463","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510177","16.2673","0.0017","7.28","0.0007","16.2873","0.0016","90","","106.001","0.002","90","","1854.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cd N2 O6 -","- C19 H13 Cd N2 O6 -","- C76 H52 Cd4 N8 O24 -","4","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.041","0.0344","","","0.0749","0.0781","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510178","7.067","0.0006","9.5235","0.0009","10.4625","0.0009","111.73","0.001","101.486","0.001","96.874","0.001","626.38","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N Ni O6 -","- C13 H11 N Ni O6 -","- C26 H22 N2 Ni2 O12 -","2","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0334","0.0308","","","0.0786","0.0806","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510179","17.523","0.008","17.315","0.009","15.91","0.008","90","","108.41","0.009","90","","4580","4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C38 H40 N4 Ni2 O16 -","- C38 H28 N4 Ni2 O14 -","- C152 H112 N16 Ni8 O56 -","4","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.1275","0.0785","","","0.247","0.3078","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510180","13.0656","0.001","20.0395","0.0015","25.521","0.002","90","","90","","90","","6682.1","0.9","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38 H30 N4 Ni2 O11 -","- C38 H30 N4 Ni2 O11 -","- C304 H240 N32 Ni16 O88 -","8","0.5","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0567","0.0399","","","0.0757","0.0833","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510181","10.5388","0.0008","19.9776","0.0018","19.07","0.0014","90","","90","","90","","4015","0.6","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C19 H19 N2 Ni O7 -","- C19 H17 N2 Ni O7 -","- C152 H136 N16 Ni8 O56 -","8","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0587","0.0454","","","0.1131","0.1202","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510182","31.517","0.012","14.882","0.004","28.494","0.008","90","","120.19","0.02","90","","11552","7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H67 Gd2 N3 O23 -","- C75 H42 Gd2 N2 O22 -","- C300 H168 Gd8 N8 O88 -","4","0.5","","Biswas, Soumava; Jena, Himanshu Sekhar; Goswami, Soumyabrata; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Two Lanthanide (Gd3+and Dy3+)-Based Three-Dimensional Metal Organic Frameworks with Squashed Metallomacrocycle Type Building Blocks and Their Magnetic, Sorption, and Fluorescence Properties Study","Crystal Growth & Design","2014","14","3","1287","","10.1021/cg401804e","","","0.71073","MoKα","","0.0649","0.0623","","","0.1532","0.1548","","","","","","1.171","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510183","31.28","0.03","14.735","0.013","28.51","0.05","90","","120.13","0.05","90","","11365","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H67 Dy2 N3 O23 -","- C75 H56 Dy2 N2 O22 -","- C300 H224 Dy8 N8 O88 -","4","0.5","","Biswas, Soumava; Jena, Himanshu Sekhar; Goswami, Soumyabrata; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Two Lanthanide (Gd3+and Dy3+)-Based Three-Dimensional Metal Organic Frameworks with Squashed Metallomacrocycle Type Building Blocks and Their Magnetic, Sorption, and Fluorescence Properties Study","Crystal Growth & Design","2014","14","3","1287","","10.1021/cg401804e","","","0.71073","MoKα","","0.1001","0.0737","","","0.2349","0.2498","","","","","","1.251","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510184","7.622","0.002","30.003","0.006","5.884","0.001","90","","90","","90","","1345.6","0.5","173","2","173","2","","","","","","","","4","P c c 2","P 2 -2c","27","03157","","","- C12 H6 Br2 S3 -","- C12 H6 Br2 S3 -","- C48 H24 Br8 S12 -","4","1","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0583","0.0527","","","0.1144","0.1169","","","","","","1.029","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510185","9.1417","0.0007","12.9641","0.001","10.8","0.0009","90","","92.378","0.002","90","","1278.85","0.18","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H5 Br N3 S2 -","- C13 H4 Br N3 S2 -","- C52 H16 Br4 N12 S8 -","4","1","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0329","0.0299","","","0.1153","0.1178","","","","","","1.015","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510186","20.488","0.01","5.153","0.003","19.516","0.01","90","","91.815","0.008","90","","2059.4","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","03128","","","- C11 H5 N3 O2 S -","- C11 H5 N3 O2 S -","- C88 H40 N24 O16 S8 -","8","1","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0559","0.0463","","","0.1163","0.1257","","","","","","1.025","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510187","25.335","0.004","5.0261","0.0008","15.713","0.002","90","","123.924","0.002","90","","1660.2","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","03133","","","- C6 H4 Br2 O2 S -","- C6 H4 Br2 O2 S -","- C48 H32 Br16 O16 S8 -","8","2","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0519","0.0441","","","0.1009","0.1073","","","","","","1.024","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510188","7.8613","0.001","24.495","0.003","6.1207","0.0008","90","","90","","90","","1178.6","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H5 N3 S2 -","- C13 H5 N3 S2 -","- C52 H20 N12 S8 -","4","1","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0348","0.0303","","","0.0676","0.0691","","","","","","1.062","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510189","13.677","0.002","5.3859","0.0008","16.245","0.003","90","","93.971","0.003","90","","1193.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","03174","","","- C11 H4 Br N3 O2 S -","- C11 H4 Br N3 O2 S -","- C44 H16 Br4 N12 O8 S4 -","4","1","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0519","0.0381","","","0.0932","0.0984","","","","","","1.027","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510190","19.311","0.003","5.173","0.0008","15.885","0.003","90","","120.464","0.002","90","","1367.8","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","03169","","","- C12 H8 Br2 O4 S2 -","- C12 H8 Br2 O4 S2 -","- C48 H32 Br8 O16 S8 -","4","0.5","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0292","0.0242","","","0.0517","0.0533","","","","","","1.022","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510191","12.7139","0.0005","9.3505","0.0002","12.9473","0.0005","90","","90","","90","","1539.19","0.09","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C13 H13 N O7 U -","- C13 H13 N O7 U -","- C52 H52 N4 O28 U4 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0425","0.0327","","","0.0746","0.0781","","","","","","1.093","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510192","12.7337","0.0004","12.5615","0.0003","17.8737","0.0005","90","","90","","90","","2858.98","0.14","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H11 N O7 S U -","- C11 H11 N O7 S U -","- C88 H88 N8 O56 S8 U8 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0313","0.0224","","","0.051","0.053","","","","","","1.054","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510193","9.7799","0.0002","11.3381","0.0004","12.6008","0.0005","90","","90","","90","","1397.25","0.08","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O7 S U -","- C11 H11 N O7 S U -","- C44 H44 N4 O28 S4 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0229","0.0213","","","0.0482","0.0487","","","","","","1.015","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510194","13.6318","0.0006","20.8012","0.0005","17.6809","0.0007","90","","112.339","0.002","90","","4637.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H46 N3 O21.5 U3 -","- C39 H45 N3 O21.5 U3 -","- C156 H180 N12 O86 U12 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0638","0.0377","","","0.0832","0.091","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510195","11.175","0.0006","11.2003","0.0005","11.2336","0.0006","61.51","0.003","66.654","0.002","62.995","0.003","1071.65","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O9 U -","- C22 H20 N2 O9 U -","- C44 H40 N4 O18 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0315","0.0248","","","0.056","0.0575","","","","","","0.989","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510196","14.0316","0.0004","15.2564","0.0006","17.7817","0.0006","90","","102.405","0.002","90","","3717.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 N5 Ni O19 U2 -","- C27 H39 N5 Ni O19 U2 -","- C108 H156 N20 Ni4 O76 U8 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.066","0.0392","","","0.0729","0.0784","","","","","","1.042","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510197","8.2609","0.0016","10.149","0.002","12.461","0.002","112.995","0.002","99.133","0.003","99.881","0.003","917.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C40 H28 N8 O8 Zn2 -","2","1","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.1096","0.0518","","","0.087","0.108","","","","","","1.039","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510198","8.415","0.0011","10.1129","0.0011","14.677","0.002","74.174","0.001","80.742","0.001","78.673","0.001","1170.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N4 O6 Zn -","- C20 H18 N4 O6 Zn -","- C40 H36 N8 O12 Zn2 -","2","1","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.0841","0.0534","","","0.1499","0.1738","","","","","","1.058","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510199","20.8725","0.0017","8.9411","0.0007","11.443","0.0009","90","","114.058","0.001","90","","1950","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Co N4 O6 -","- C20 H18 Co N4 O6 -","- C80 H72 Co4 N16 O24 -","4","0.5","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.0274","0.0259","","","0.0721","0.0735","","","","","","1.021","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510200","10.627","0.002","6.2498","0.0013","17.169","0.003","90","","118.378","0.009","90","","1003.3","0.3","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H16 N4 Ni O5 -","- C20 H16 N4 Ni O5 -","- C40 H32 N8 Ni2 O10 -","2","1","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.1097","0.0562","","","0.0791","0.0963","","","","","","0.971","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510201","16.2445","0.0011","16.4805","0.0011","25.7372","0.0017","90","","90","","90","","6890.3","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C67 H62 Co5 N6 O25 -","- C67 H62 Co5 N6 O25 -","- C268 H248 Co20 N24 O100 -","4","0.5","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.0572","0.0449","","","0.129","0.1385","","","","","","1.04","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510202","18.2139","0.0015","11.79","0.001","16.5932","0.0013","90","","111.32","0.001","90","","3319.4","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N4 O9 Zn2 -","- C36 H24 N4 O9 Zn2 -","- C144 H96 N16 O36 Zn8 -","4","0.5","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.0359","0.0278","","","0.0687","0.0737","","","","","","1.035","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510203","4.9004","0.001","14.202","0.003","14.325","0.003","118.43","0.03","93.44","0.03","97.06","0.03","862","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","benzimidazole salt of sebacic acid","","","- C17 H24 N2 O4 -","- C17 H24 N2 O4 -","- C34 H48 N4 O8 -","2","1","","Rachocki, Adam; Pogorzelec-Glaser, Katarzyna; Ławniczak, Paweł; Pugaczowa-Michalska, Maria; Łapiński, Andrzej; Hilczer, Bożena; Matczak, Michał; Pietraszko, Adam","Proton Conducting Compound of Benzimidazole with Sebacic Acid: Structure, Molecular Dynamics, and Proton Conductivity","Crystal Growth & Design","2014","14","3","1211","","10.1021/cg401742b","","","0.71073","MoKα","","0.1942","0.0525","","","0.1014","0.1369","","","","","","0.749","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510204","7.5051","0.0014","11.468","0.002","13.694","0.003","83.123","0.003","84.66","0.003","82.833","0.004","1157.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N4 O9 S -","- C21 H18 N4 O9 S -","- C42 H36 N8 O18 S2 -","2","1","","Félix-Sonda, Brenda C.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert","Nitazoxanide Cocrystals in Combination with Succinic, Glutaric, and 2,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2014","14","3","1086","","10.1021/cg4015916","","","0.71073","MoKα","","0.1062","0.0657","","","0.1183","0.1328","","","","","","1.037","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510205","16.77","0.005","5.0216","0.0015","23.582","0.008","90","","128.077","0.006","90","","1563.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N3 O7 S -","- C14 H12 N3 O7 S -","- C56 H48 N12 O28 S4 -","4","1","","Félix-Sonda, Brenda C.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert","Nitazoxanide Cocrystals in Combination with Succinic, Glutaric, and 2,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2014","14","3","1086","","10.1021/cg4015916","","","0.71073","MoKα","","0.1079","0.0743","","","0.1494","0.1658","","","","","","1.085","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510206","12.37","0.004","5.0586","0.0015","31.715","0.009","90","","94.495","0.006","90","","1978.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N3 O9 S -","- C17 H17 N3 O9 S -","- C68 H68 N12 O36 S4 -","4","1","","Félix-Sonda, Brenda C.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert","Nitazoxanide Cocrystals in Combination with Succinic, Glutaric, and 2,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2014","14","3","1086","","10.1021/cg4015916","","","0.71073","MoKα","","0.1026","0.0699","","","0.1459","0.1637","","","","","","1.018","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510207","5.7193","0.0001","9.5627","0.0002","20.9579","0.0005","90","","90","","90","","1146.23","0.04","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 Se -","- C12 H13 N3 Se -","- C48 H52 N12 Se4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0266","0.0242","","","0.0309","0.0313","","","","1.66","1.66","1.62","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510208","7.1809","0.0003","10.2986","0.0005","15.768","0.0008","90","","90","","90","","1166.09","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 S -","- C12 H13 N3 S -","- C48 H52 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0348","0.0268","","","0.0285","0.029","","","","1.62","1.62","1.53","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510209","7.9302","0.0011","17.223","0.002","10.8814","0.0014","90","","94.771","0.007","90","","1481.1","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 S -","- C15 H19 N3 S -","- C60 H76 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.1072","0.0445","","","0.0446","0.0489","","","","1.68","1.68","1.33","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510210","5.9338","0.0002","7.3798","0.0002","13.2891","0.0004","99.4247","0.0011","93.1907","0.0012","92.2136","0.0012","572.51","0.03","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N3 S -","- C12 H13 N3 S -","- C24 H26 N6 S2 -","2","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0433","0.0329","","","0.0424","0.0434","","","","2.16","2.16","1.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510211","12.7982","0.0008","13.6159","0.0008","7.131","0.0004","90","","90","","90","","1242.64","0.13","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","","0.71073","MoKα","","0.0334","0.0288","","","0.0367","0.037","","","","2","2","1.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510212","4.7643","0.0015","15.968","0.006","16.294","0.006","90","","90","","90","","1239.6","0.8","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C52 H60 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0371","0.0287","","","0.0602","0.0622","","","","1.63","1.63","1.57","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510213","10.0699","0.0006","10.4586","0.0006","12.3674","0.0007","90","","98.777","0.002","90","","1287.25","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C52 H60 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.051","0.0376","","","0.0468","0.0479","","","","2.54","2.54","2.3","","","","has coordinates","288070","2023-12-06","12:55:27",""
"4510214","5.7944","0.0006","23.318","0.002","9.1374","0.0009","90","","97.601","0.004","90","","1223.7","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","","0.71073","MoKα","","0.0484","0.0409","","","0.055","0.0559","","","","3.03","3.03","2.87","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510215","17.6465","0.0009","5.0684","0.0003","14.7768","0.0008","90","","112.225","0.002","90","","1223.44","0.12","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C52 H60 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0239","0.0225","","","0.0302","0.0303","","","","1.74","1.74","1.71","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510216","27.934","0.002","27.934","0.002","41.081","0.004","90","","90","","90","","32056","5","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C35.08 H53.26 Cu3 N10 O27.55 S2.54 -","- C34.23 H12 Cu3 N10 O27.5071 S2.4835 -","- C547.68 H192 Cu48 N160 O440.114 S39.736 -","16","1","","Luebke, Ryan; Weseliński, Łukasz J.; Belmabkhout, Youssef; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Microporous Heptazine Functionalized (3,24)-Connectedrht-Metal‒Organic Framework: Synthesis, Structure, and Gas Sorption Analysis","Crystal Growth & Design","2014","14","2","414","","10.1021/cg401802s","","","1.54178","CuKα","","0.0848","0.0772","","","0.2283","0.2405","","","","","","1.076","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510217","24.304","0.003","13.1642","0.0019","14.231","0.002","90","","90","","90","","4553.3","1.1","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C38 H45 Br Cl6 N O8 P -","- C38 H45 Br Cl6 N O8 P -","- C152 H180 Br4 Cl24 N4 O32 P4 -","4","1","","Pathak, Rakesh K.; Marrache, Sean; Harn, Donald A.; Dhar, Shanta","Mito-DCA: A Mitochondria Targeted Molecular Scaffold for Efficacious Delivery of Metabolic Modulator Dichloroacetate.","ACS chemical biology","2014","9","5","1178","1187","10.1021/cb400944y","","","0.71073","MoKα","","0.1251","0.0629","","","0.1289","0.1556","","","","","","1.002","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510218","12.4676","0.0015","13.1793","0.0016","13.4844","0.0016","63.668","0.002","76.613","0.002","78.042","0.002","1917.9","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H35 Br N6 O7 -","- C40 H35 Br N6 O7 -","- C80 H70 Br2 N12 O14 -","2","1","","Shaabani, Shabnam; Shaabani, Ahmad; Ng, Seik Weng","One-Pot Synthesis of Coumarin-3-carboxamides Containing a Triazole Ring via an Isocyanide-Based Six-Component Reaction.","ACS combinatorial science","2014","16","4","176","183","10.1021/co4001259","","","0.71073","MoKα","","0.1532","0.0643","","","0.1635","0.2038","","","","","","1.016","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510219","14.2931","0.0009","21.7265","0.0013","14.7749","0.0009","90","","111.905","0.001","90","","4256.9","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H41 Br N6 O8 S -","- C42 H41 Br N6 O8 S -","- C168 H164 Br4 N24 O32 S4 -","4","1","","Shaabani, Shabnam; Shaabani, Ahmad; Ng, Seik Weng","One-Pot Synthesis of Coumarin-3-carboxamides Containing a Triazole Ring via an Isocyanide-Based Six-Component Reaction.","ACS combinatorial science","2014","16","4","176","183","10.1021/co4001259","","","0.71073","MoKα","","0.0959","0.0552","","","0.1411","0.1632","","","","","","1.029","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510220","14.81","0.0011","9.6105","0.0007","26.577","0.002","90","","104.266","0.001","90","","3666.1","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Br N5 O5 -","- C41 H38 Br N5 O5 -","- C164 H152 Br4 N20 O20 -","4","1","","Shaabani, Shabnam; Shaabani, Ahmad; Ng, Seik Weng","One-Pot Synthesis of Coumarin-3-carboxamides Containing a Triazole Ring via an Isocyanide-Based Six-Component Reaction.","ACS combinatorial science","2014","16","4","176","183","10.1021/co4001259","","","0.71073","MoKα","","0.1028","0.0505","","","0.1174","0.141","","","","","","1.011","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510221","11.477","0.0012","20.657","0.002","10.078","0.0012","90","","113.922","0.002","90","","2184.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N3 O3 -","- C22 H29 N3 O3 -","- C88 H116 N12 O12 -","4","1","","Ma, Guan-Hua; Tu, Xing-Jun; Ning, Yi; Jiang, Bo; Tu, Shu-Jiang","Efficient Domino Strategy for the Synthesis of Polyfunctionalized Benzofuran-4(5H)-ones and Cinnoline-4-carboxamides.","ACS combinatorial science","2014","16","6","281","286","10.1021/co5000097","","","0.71073","MoKα","","0.1911","0.0709","","","0.1405","0.2146","","","","","","1.021","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510222","13.7727","0.0006","13.8864","0.0006","14.1519","0.0005","104.383","0.003","101.406","0.003","119.292","0.004","2116.9","0.2","123","2","123","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H90 Au25 S18 -","- C36 H90 Au25 S18 -","- C36 H90 Au25 S18 -","1","0.5","","Dainese, Tiziano; Antonello, Sabrina; Gascón, José A; Pan, Fangfang; Perera, Neranjan V.; Ruzzi, Marco; Venzo, Alfonso; Zoleo, Alfonso; Rissanen, Kari; Maran, Flavio","Au25(SEt)18, a Nearly Naked Thiolate-Protected Au25 Cluster: Structural Analysis by Single Crystal X-ray Crystallography and Electron Nuclear Double Resonance.","ACS nano","2014","8","4","3904","3912","10.1021/nn500805n","","","1.54184","CuKα","","0.0747","0.0608","","","0.1635","0.18","","","","","","1.042","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510223","22.348","0.005","13.357","0.003","15.002","0.003","90","","97.35","0.03","90","","4441.3","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H41 Eu2 N7 O18 -","- C30 H34 Eu2 N6 O18 -","- C120 H136 Eu8 N24 O72 -","4","0.5","","Zhang, Jian; Zheng, Bing; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Topological Diversities and Luminescent Properties of Lanthanide Metal‒Organic Frameworks Based on a Tetracarboxylate Ligand","Crystal Growth & Design","2014","14","5","2394","","10.1021/cg500114k","","","0.71073","MoKα","","0.0673","0.0506","","","0.1402","0.1489","","","","","","1.066","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510224","22.214","0.004","13.407","0.003","14.781","0.003","90","","97.2","0.03","90","","4367.4","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H41 N7 O18 Tb2 -","- C30 H34 N6 O18 Tb2 -","- C120 H136 N24 O72 Tb8 -","4","0.5","","Zhang, Jian; Zheng, Bing; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Topological Diversities and Luminescent Properties of Lanthanide Metal‒Organic Frameworks Based on a Tetracarboxylate Ligand","Crystal Growth & Design","2014","14","5","2394","","10.1021/cg500114k","","","0.71073","MoKα","","0.0465","0.0432","","","0.1245","0.1272","","","","","","1.096","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510225","22.228","0.004","13.257","0.003","14.639","0.003","90","","97.07","0.03","90","","4281","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H41 Er2 N7 O18 -","- C30 H34 Er2 N6 O18 -","- C120 H136 Er8 N24 O72 -","4","0.5","","Zhang, Jian; Zheng, Bing; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Topological Diversities and Luminescent Properties of Lanthanide Metal‒Organic Frameworks Based on a Tetracarboxylate Ligand","Crystal Growth & Design","2014","14","5","2394","","10.1021/cg500114k","","","0.71073","MoKα","","0.0715","0.0482","","","0.1245","0.135","","","","","","0.984","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510226","27.918","0.006","9.2881","0.0019","21.422","0.004","90","","118.07","0.03","90","","4901","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H35.5 N6.5 O20 Yb2 -","- C30 H34 N6.5 O20 Yb2 -","- C120 H136 N26 O80 Yb8 -","4","0.5","","Zhang, Jian; Zheng, Bing; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Topological Diversities and Luminescent Properties of Lanthanide Metal‒Organic Frameworks Based on a Tetracarboxylate Ligand","Crystal Growth & Design","2014","14","5","2394","","10.1021/cg500114k","","","0.71073","MoKα","","0.0497","0.0404","","","0.1085","0.1116","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510227","14.558","0.003","18.271","0.004","21.899","0.004","90","","112.12","0.03","90","","5396","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H44.5 Eu2 N3.5 O22.5 -","- C39 H12 Eu2 N O18 -","- C156 H48 Eu8 N4 O72 -","4","1","","Zhang, Jian; Zheng, Bing; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Topological Diversities and Luminescent Properties of Lanthanide Metal‒Organic Frameworks Based on a Tetracarboxylate Ligand","Crystal Growth & Design","2014","14","5","2394","","10.1021/cg500114k","","","0.71073","MoKα","","0.0554","0.0496","","","0.1314","0.1337","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510228","8.1555","0.0005","9.7034","0.0006","18.2534","0.0012","92.894","0.005","99.124","0.005","91.71","0.005","1423.36","0.16","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H42 N4 O -","- C31 H42 N4 O -","- C62 H84 N8 O2 -","2","1","","Durga Prasad, Karothu; Venkataramaiah, N.; Guru Row, Tayur N.","1,9-Pyrazoloanthrone as a Colorimetric and “Turn-On” Fluorometric Chemosensor: Structural Implications","Crystal Growth & Design","2014","14","5","2118","","10.1021/cg5002489","","","0.71073","MoKα","","0.1352","0.0958","","","0.2769","0.3048","","","","","","1.259","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510229","14.947","0.0013","14.947","0.0013","3.8185","0.0003","90","","90","","120","","738.81","0.11","120","2","120.15","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C14 H8 N2 O -","- C14 H8 N2 O -","- C42 H24 N6 O3 -","3","0.5","","Durga Prasad, Karothu; Venkataramaiah, N.; Guru Row, Tayur N.","1,9-Pyrazoloanthrone as a Colorimetric and “Turn-On” Fluorometric Chemosensor: Structural Implications","Crystal Growth & Design","2014","14","5","2118","","10.1021/cg5002489","","","0.71073","MoKα","","0.1385","0.0967","","","0.196","0.2182","","","","","","1.071","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510230","8.143","0.0004","9.6781","0.0003","18.2591","0.0007","92.727","0.003","98.895","0.003","92.061","0.003","1418.69","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 F N3 O2 -","- C30 H42 F N2.98 O2 -","- C60 H84 F2 N5.96 O4 -","2","1","","Durga Prasad, Karothu; Venkataramaiah, N.; Guru Row, Tayur N.","1,9-Pyrazoloanthrone as a Colorimetric and “Turn-On” Fluorometric Chemosensor: Structural Implications","Crystal Growth & Design","2014","14","5","2118","","10.1021/cg5002489","","","0.71073","MoKα","","0.1872","0.1033","","","0.2371","0.2997","","","","","","1.045","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510231","20.383","0.004","22.674","0.005","23.215","0.005","90","","90","","90","","10729","4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C32 H30 Co3 N6 O15 -","- C26 H16 Co3 N4 O13 -","- C208 H128 Co24 N32 O104 -","8","1","","Wang, Jing; Luo, Jiahuan; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of Two Flexible Metal‒Organic Frameworks with Stepwise Gas Adsorption and Highly Selective CO2Adsorption","Crystal Growth & Design","2014","14","5","2375","","10.1021/cg500091k","","","0.71073","MoKα","","0.0937","0.0767","","","0.1943","0.2062","","","","","","1.069","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510232","15.3019","0.0004","15.3019","0.0004","23.1993","0.0009","90","","90","","90","","5432.1","0.3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C29 H23 N5 O14 Zn3 -","- C26 H14 N4 O12 Zn3 -","- C104 H56 N16 O48 Zn12 -","4","0.5","","Wang, Jing; Luo, Jiahuan; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of Two Flexible Metal‒Organic Frameworks with Stepwise Gas Adsorption and Highly Selective CO2Adsorption","Crystal Growth & Design","2014","14","5","2375","","10.1021/cg500091k","","","0.71073","MoKα","","0.0793","0.0583","","","0.1579","0.1714","","","","","","1.051","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510233","9.2309","0.0008","9.2309","0.0008","9.5945","0.0014","90","","90","","90","","817.54","0.16","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Cd I6 Tl4 -","- Cd I6 Tl4 -","- Cd2 I12 Tl8 -","2","0.125","","Wang, Shichao; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Nguyen, Sandy L.; Malliakas, Christos D.; Stoumpos, Constantinos C.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Crystal Growth of Tl4CdI6: A Wide Band Gap Semiconductor for Hard Radiation Detection","Crystal Growth & Design","2014","14","5","2401","","10.1021/cg5001446","","","0.71073","MoKα","","0.0425","0.0376","","","0.0487","0.0494","","","","","","1.419","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510234","9.2288","0.0004","9.2288","0.0004","9.6054","0.0006","90","","90","","90","","818.1","0.07","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Cd I6 Tl4 -","- Cd I6 Tl4 -","- Cd2 I12 Tl8 -","2","0.125","","Wang, Shichao; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Nguyen, Sandy L.; Malliakas, Christos D.; Stoumpos, Constantinos C.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Crystal Growth of Tl4CdI6: A Wide Band Gap Semiconductor for Hard Radiation Detection","Crystal Growth & Design","2014","14","5","2401","","10.1021/cg5001446","","","0.71073","MoKα","","0.0401","0.0315","","","0.0599","0.062","","","","","","1.211","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510235","9.2323","0.0006","9.2323","0.0006","9.6015","0.0011","90","","90","","90","","818.39","0.12","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Cd I6 Tl4 -","- Cd I6 Tl4 -","- Cd2 I12 Tl8 -","2","0.125","","Wang, Shichao; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Nguyen, Sandy L.; Malliakas, Christos D.; Stoumpos, Constantinos C.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Crystal Growth of Tl4CdI6: A Wide Band Gap Semiconductor for Hard Radiation Detection","Crystal Growth & Design","2014","14","5","2401","","10.1021/cg5001446","","","0.71073","MoKα","","0.048","0.0394","","","0.066","0.0684","","","","","","1.176","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510236","24.603","0.0014","13.189","0.0005","20.222","0.0013","90","","124.366","0.009","90","","5416.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H68 Cd3 N4 O29 -","- C46 H42 Cd3 N4 O29 -","- C184 H168 Cd12 N16 O116 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71069","MoKα","","0.085","0.0495","","","0.1142","0.1319","","","","","","1.054","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510237","24.492","0.004","13.0355","0.0014","20.31","0.003","90","","124.676","0.004","90","","5332.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H70 Mn3 N4 O30 -","- C46 H66 Mn3 N4 O30 -","- C184 H264 Mn12 N16 O120 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.1858","0.0788","","","0.1409","0.1702","","","","","","1.182","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510238","24.011","0.002","13.1094","0.0008","20.548","0.002","90","","124.399","0.015","90","","5336.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H66 N4 O28 Zn3 -","- C46 H62 N4 O28 Zn3 -","- C184 H248 N16 O112 Zn12 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.1501","0.0805","","","0.1578","0.1898","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510239","23.792","0.002","13.0153","0.0005","20.729","0.002","90","","123.785","0.013","90","","5335","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H65.5 Co3 N4 O27.75 -","- C46 H58 Co3 N4 O27.76 -","- C184 H232 Co12 N16 O111.04 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.138","0.0892","","","0.1607","0.1843","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510240","24.104","0.002","13.054","0.0009","21.009","0.0016","90","","124.662","0.01","90","","5437.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H71 Fe3 N4 O30.5 -","- C46 H42 Fe3 N4 O30.5 -","- C184 H168 Fe12 N16 O122 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71069","MoKα","","0.1181","0.0707","","","0.1339","0.1555","","","","","","0.96","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510241","10.975","0.0006","14.548","0.0007","16.063","0.0009","81.074","0.005","86.503","0.005","86.458","0.004","2525.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H160 Co3 N16 O21 -","- C94 H150 Co3 N16 O21 -","- C94 H150 Co3 N16 O21 -","1","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.1113","0.0644","","","0.1482","0.1745","","","","","","1.019","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510242","13.617","0.0006","14.3185","0.0005","18.6289","0.0007","88.841","0.003","69.413","0.004","79.69","0.003","3341.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H189 N20 Ni4 O18.5 -","- C110 H136 N20 Ni4 O18.5 -","- C110 H136 N20 Ni4 O18.5 -","1","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.2197","0.1071","","","0.1925","0.2268","","","","","","1.202","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510243","11.1977","0.0007","11.2936","0.0007","14.7885","0.0009","70.036","0.006","88.302","0.005","79.258","0.005","1725.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H102 N8 Ni3 O28 -","- C62 H94 N8 Ni3 O28 -","- C62 H94 N8 Ni3 O28 -","1","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.0697","0.0524","","","0.1398","0.153","","","","","","1.032","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510244","18.1","0.0005","23.3079","0.0007","29.0723","0.0011","90","","90","","90","","12264.8","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C110 H190 Cd4 N20 O19 -","- C110 H188 Cd4 N20 O19 -","- C440 H752 Cd16 N80 O76 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.0871","0.0426","","","0.0869","0.1029","","","","","","1.008","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510245","9.1765","0.0003","13.6017","0.0005","17.2551","0.0007","77.337","0.003","86.838","0.003","81.439","0.003","2077.35","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H120 Cu2 N12 O18 -","- C78 H106 Cu2 N12 O18 -","- C78 H106 Cu2 N12 O18 -","1","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.1408","0.0895","","","0.1777","0.2053","","","","","","0.975","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510246","18.6903","0.0007","31.1946","0.001","6.8692","0.0003","90","","90.094","0.003","90","","4005","0.3","571","2","571","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O9.5 S2 Yb -","- C19 H14 N2 O9.5 S2 Yb -","- C152 H112 N16 O76 S16 Yb8 -","8","2","","D’Vries, Richard F.; Snejko, Natalia; Iglesias, Marta; Gutiérrez-Puebla, Enrique; Monge, M. Angeles","Ln-MOF Pseudo-Merohedral Twinned Crystalline Family as Solvent-Free Heterogeneous Catalysts","Crystal Growth & Design","2014","14","5","2516","","10.1021/cg5002336","","","1.54178","CuKα","","0.0554","0.0457","","","0.1078","0.1138","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510247","11.54269","0.00008","22.41402","0.00014","25.84917","0.00016","90","","102.449","0.0007","90","","6530.4","0.08","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H53 Cu2 Ge N8 O44.5 W12 -","- C32 H44 Cu2 Ge N8 O44.5 W12 -","- C128 H176 Cu8 Ge4 N32 O178 W48 -","4","1","","Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Artetxe, Beñat; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Reversible Dehydration in Polyoxometalate-Based Hybrid Compounds: A Study of Single-Crystal to Single-Crystal Transformations in Keggin-Type Germanotungstates Decorated with Copper(II) Complexes of Tetradentate N-Donor Ligands","Crystal Growth & Design","2014","14","5","2318","","10.1021/cg500027f","","x-ray","1.54184","CuKα","","0.0564","0.0554","","","0.1447","0.1456","","","","","","1.132","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510248","11.46769","0.00014","22.5699","0.0003","25.3959","0.0003","90","","102.372","0.0013","90","","6420.43","0.14","423","2","423","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cu2 Ge N8 O40 W12 -","- C32 H44 Cu2 Ge N8 O40 W12 -","- C128 H176 Cu8 Ge4 N32 O160 W48 -","4","1","","Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Artetxe, Beñat; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Reversible Dehydration in Polyoxometalate-Based Hybrid Compounds: A Study of Single-Crystal to Single-Crystal Transformations in Keggin-Type Germanotungstates Decorated with Copper(II) Complexes of Tetradentate N-Donor Ligands","Crystal Growth & Design","2014","14","5","2318","","10.1021/cg500027f","","x-ray","0.71073","MoKα","","0.0652","0.0444","","","0.0922","0.1065","","","","","","1.06","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510249","11.0268","0.0003","12.1249","0.0003","24.7245","0.0006","90","","96.305","0.002","90","","3285.64","0.15","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Cu2 Ge N8 O45 W12 -","- C34 H48 Cu2 Ge N8 O45 W12 -","- C68 H96 Cu4 Ge2 N16 O90 W24 -","2","0.5","","Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Artetxe, Beñat; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Reversible Dehydration in Polyoxometalate-Based Hybrid Compounds: A Study of Single-Crystal to Single-Crystal Transformations in Keggin-Type Germanotungstates Decorated with Copper(II) Complexes of Tetradentate N-Donor Ligands","Crystal Growth & Design","2014","14","5","2318","","10.1021/cg500027f","","x-ray","0.71073","MoKα","","0.0477","0.0426","","","0.0839","0.0859","","","","","","1.218","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510250","10.8619","0.0002","11.9467","0.0002","24.0621","0.0005","90","","97.9366","0.0018","90","","3092.48","0.1","423","2","423","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 Cu2 Ge N8 O40 W12 -","- C34 H48 Cu2 Ge N8 O40 W12 -","- C68 H96 Cu4 Ge2 N16 O80 W24 -","2","0.5","","Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Artetxe, Beñat; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Reversible Dehydration in Polyoxometalate-Based Hybrid Compounds: A Study of Single-Crystal to Single-Crystal Transformations in Keggin-Type Germanotungstates Decorated with Copper(II) Complexes of Tetradentate N-Donor Ligands","Crystal Growth & Design","2014","14","5","2318","","10.1021/cg500027f","","x-ray","1.54184","CuKα","","0.0595","0.0548","","","0.1291","0.1321","","","","","","1.174","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510251","12.7695","0.0002","13.0603","0.0003","21.2588","0.0005","79.433","0.002","78.0316","0.0018","76.0427","0.0018","3332.56","0.13","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C34 H66 Cu2 Ge N8 O49 W12 -","- C22.655 H30.786 Cu2 Ge N5.508 O40.377 W12 -","- C45.31 H61.572 Cu4 Ge2 N11.016 O80.754 W24 -","2","1","","Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Artetxe, Beñat; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Reversible Dehydration in Polyoxometalate-Based Hybrid Compounds: A Study of Single-Crystal to Single-Crystal Transformations in Keggin-Type Germanotungstates Decorated with Copper(II) Complexes of Tetradentate N-Donor Ligands","Crystal Growth & Design","2014","14","5","2318","","10.1021/cg500027f","","x-ray","1.54184","CuKα","","0.0819","0.0704","","","0.1968","0.22","","","","","","1.025","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510252","13.32","0.02","20","0.03","19.77","0.03","90","","90.03","0.03","90","","5267","14","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C0.38 O48.76 Si24 -","- C0.379 O48.758 Si24 -","- C1.516 O195.032 Si96 -","4","1","","Fujiyama, Shinjiro; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu","Adsorption Process of CO2 on Silicalite-1 Zeolite Using Single-Crystal X-ray Method.","Langmuir : the ACS journal of surfaces and colloids","2014","30","13","3749","","10.1021/la404962e","","","0.71073","MoKα","","0.1349","0.0636","","","0.1278","0.1499","","","","","","0.897","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510253","13.339","0.018","20.03","0.02","19.83","0.02","90","","90.01","0.02","90","","5298","10","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C1.17 O50.35 Si24 -","- C1.174 O50.348 Si24 -","- C4.696 O201.392 Si96 -","4","1","","Fujiyama, Shinjiro; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu","Adsorption Process of CO2 on Silicalite-1 Zeolite Using Single-Crystal X-ray Method.","Langmuir : the ACS journal of surfaces and colloids","2014","30","13","3749","","10.1021/la404962e","","","0.71073","MoKα","","0.1331","0.0541","","","0.1149","0.1334","","","","","","0.815","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510254","7.427","0.007","10.722","0.01","12.41","0.012","69.156","0.01","77.224","0.011","85.238","0.01","900.7","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H18 Hg Mn N4 S5 Sb2 -","- C6 H18 Hg Mn N4 S5 Sb2 -","- C12 H36 Hg2 Mn2 N8 S10 Sb4 -","2","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0648","0.0472","","","0.1182","0.1288","","","","","","1.001","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510255","7.3778","0.0004","10.5551","0.0006","12.3071","0.0007","69.629","0.001","77.739","0.001","85.723","0.001","877.96","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H18 Co Hg N4 S5 Sb2 -","- C6 H18 Co Hg N4 S5 Sb2 -","- C12 H36 Co2 Hg2 N8 S10 Sb4 -","2","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0266","0.0243","","","0.0648","0.0658","","","","","","1.094","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510256","7.3752","0.0006","10.5561","0.0009","12.3004","0.001","69.677","0.001","77.707","0.001","85.802","0.001","877.42","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H18 Fe Hg N4 S5 Sb2 -","- C6 H18 Fe Hg N4 S5 Sb2 -","- C12 H36 Fe2 Hg2 N8 S10 Sb4 -","2","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0353","0.0293","","","0.073","0.0754","","","","","","1.04","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510257","11.659","0.002","9.9546","0.0017","14.011","0.003","90","","109.313","0.002","90","","1534.6","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Hg3 N6 Ni S10 Sb4 -","- C8 H26 Hg3 N6 Ni S10 Sb4 -","- C16 H52 Hg6 N12 Ni2 S20 Sb8 -","2","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0268","0.0209","","","0.048","0.0709","","","","","","1.079","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510258","19.907","0.012","7.773","0.005","14.779","0.009","90","","106.6","0.006","90","","2192","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 Co Hg2 N6 S6 Sb2 -","- C6 H24 Co Hg2 N6 S6 Sb2 -","- C24 H96 Co4 Hg8 N24 S24 Sb8 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0338","0.0278","","","0.0702","0.0839","","","","","","1.098","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510259","11.7163","0.0011","9.9621","0.0009","14.0344","0.0013","90","","109.494","0.001","90","","1544.2","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Co Hg3 N6 S10 Sb4 -","- C8 H26 Co Hg3 N6 S10 Sb4 -","- C16 H52 Co2 Hg6 N12 S20 Sb8 -","2","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.029","0.0233","","","0.0535","0.0724","","","","","","1.085","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510260","14.986","0.006","15.072","0.006","20.514","0.008","90","","104.094","0.005","90","","4494","3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H60 Cl Hg N12 Ni2 S7 Sb3 -","- C18 H60 Cl Hg N12 Ni2 S7 Sb3 -","- C72 H240 Cl4 Hg4 N48 Ni8 S28 Sb12 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.1176","0.0504","","","0.1034","0.1268","","","","","","1.008","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510261","11.4087","0.0012","13.2919","0.0014","18.9376","0.0015","90","","118.878","0.004","90","","2514.7","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H30 Hg N6 Ni S5 Sb2 -","- C9 H30 Hg N6 Ni S5 Sb2 -","- C36 H120 Hg4 N24 Ni4 S20 Sb8 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0496","0.0348","","","0.0903","0.0973","","","","","","1.026","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510262","11.7218","0.0018","9.9484","0.0015","14.02","0.002","90","","109.557","0.002","90","","1540.6","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Hg3 Mn N6 S10 Sb4 -","- C8 H26 Hg3 Mn N6 S10 Sb4 -","- C16 H52 Hg6 Mn2 N12 S20 Sb8 -","2","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0253","0.022","","","0.0633","0.065","","","","","","1.025","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510263","10.709","0.004","20.74","0.008","10.786","0.004","90","","114.641","0.004","90","","2177.5","1.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Hg Mn N6 S5 Sb2 -","- C8 H26 Hg Mn N6 S5 Sb2 -","- C32 H104 Hg4 Mn4 N24 S20 Sb8 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.045","0.0309","","","0.0718","0.0774","","","","","","1.016","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510264","7.771","0.002","9.8","0.002","15.1018","0.0013","90","","90.328","0.014","90","","1150.1","0.4","296","2","296","2","2160000","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dabcoHClO4 methanol cocrystal","1,4-diazabicyclo[2.2.2]octane perchlorate methanol cocrystal","","- C8 H21 Cl N2 O6 -","- C8 H21 Cl N2 O6 -","- C32 H84 Cl4 N8 O24 -","4","1","","Anioła, Michalina; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Induced Solvate Crystallization of 1,4-Diazabicyclo[2.2.2]octane Perchlorate with Methanol","Crystal Growth & Design","2014","14","5","2187","","10.1021/cg4016959","","","0.71073","MoKα","","0.1612","0.1077","","","0.2784","0.3269","","","","","","1.177","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510265","7.7762","0.0009","9.782","0.003","15.1099","0.0019","90","","90.463","0.01","90","","1149.3","0.4","296","2","296","2","2300000","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dabcoHClO4 methanol cocrystal","1,4-diazabicyclo[2.2.2]octane perchlorate methanol cocrystal","","- C8 H21 Cl N2 O6 -","- C8 H21 Cl N2 O6 -","- C32 H84 Cl4 N8 O24 -","4","1","","Anioła, Michalina; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Induced Solvate Crystallization of 1,4-Diazabicyclo[2.2.2]octane Perchlorate with Methanol","Crystal Growth & Design","2014","14","5","2187","","10.1021/cg4016959","","","0.71073","MoKα","","0.119","0.0817","","","0.2024","0.2279","","","","","","1.175","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510266","7.66","0.011","9.7348","0.0006","15.053","0.0008","90","","90.42","0.02","90","","1122.5","1.6","296","2","296","2","2400000","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dabcoHClO4 methanol cocrystal","1,4-diazabicyclo[2.2.2]octane perchlorate methanol cocrystal","","- C8 H21 Cl N2 O6 -","- C8 H21 Cl N2 O6 -","- C32 H84 Cl4 N8 O24 -","4","1","","Anioła, Michalina; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Induced Solvate Crystallization of 1,4-Diazabicyclo[2.2.2]octane Perchlorate with Methanol","Crystal Growth & Design","2014","14","5","2187","","10.1021/cg4016959","","","0.71073","MoKα","","0.0954","0.0776","","","0.1263","0.1335","","","","","","1.138","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510267","9.8166","0.0015","15.448","0.003","17.313","0.003","114.971","0.007","100.174","0.009","90.326","0.009","2333.1","0.7","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H66 N4 O5 -","- C48 H66 N4 O5 -","- C96 H132 N8 O10 -","2","1","","McKellar, Scott C.; Kennedy, Alan R.; McCloy, Neil C.; McBride, Eileen; Florence, Alastair J.","Formulation of Liquid Propofol as a Cocrystalline Solid","Crystal Growth & Design","2014","14","5","2422","","10.1021/cg500155p","","","0.71073","MoKα","","0.1869","0.0677","","","0.1544","0.2092","","","","","","0.982","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510268","9.8183","0.0004","15.427","0.0006","46.7832","0.0017","81.262","0.003","88.059","0.003","89.925","0.003","6999.8","0.5","218","2","218","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H66 N4 O5 -","- C48 H66 N4 O5 -","- C288 H396 N24 O30 -","6","3","","McKellar, Scott C.; Kennedy, Alan R.; McCloy, Neil C.; McBride, Eileen; Florence, Alastair J.","Formulation of Liquid Propofol as a Cocrystalline Solid","Crystal Growth & Design","2014","14","5","2422","","10.1021/cg500155p","","","1.5418","CuKα","","0.1394","0.0736","","","0.2009","0.2768","","","","","","1","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510269","9.7937","0.0003","15.2747","0.0005","31.0802","0.001","90","","98.472","0.003","90","","4598.7","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 N4 O5 -","- C48 H66 N4 O5 -","- C192 H264 N16 O20 -","4","1","","McKellar, Scott C.; Kennedy, Alan R.; McCloy, Neil C.; McBride, Eileen; Florence, Alastair J.","Formulation of Liquid Propofol as a Cocrystalline Solid","Crystal Growth & Design","2014","14","5","2422","","10.1021/cg500155p","","","0.71073","MoKα","","0.1752","0.0536","","","0.1152","0.1369","","","","","","0.723","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510270","8.3089","0.0011","16.1429","0.0015","20.651","0.002","90","","100.411","0.002","90","","2724.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O5 -","- C34 H28 N2 O5 -","- C136 H112 N8 O20 -","4","1","","Fu, Lei; Lin, Wei; Hu, Ming-Hua; Liu, Xue-Cheng; Huang, Zhi-Bin; Shi, Da-Qing","Efficient Synthesis of Functionalized Benzo[b][1,8]naphthyridine Derivatives via Three-Component Reaction Catalyzed by l-Proline.","ACS combinatorial science","2014","16","5","238","","10.1021/co4001524","","","1.54178","CuKα","","0.2151","0.0691","","","0.0782","0.1326","","","","","","0.997","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510271","6.3131","0.0003","8.0821","0.0005","20.8006","0.0012","90","","90","","90","","1061.31","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O5 Zn -","- C10 H10 O5 Zn -","- C40 H40 O20 Zn4 -","4","1","","Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Tomar, Kapil; Konar, Sanjit","Exploration of Structural Topologies in Metal‒Organic Frameworks Based on 3-(4-Carboxyphenyl)propionic Acid, Their Synthesis, Sorption, and Luminescent Property Studies","Crystal Growth & Design","2014","14","4","2022","","10.1021/cg500149s","","","0.71073","MoKα","","0.0261","0.0261","","","0.0957","0.0957","","","","","","0.991","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510272","11.6251","0.0009","12.2299","0.0011","15.6845","0.0013","90","","109.713","0.004","90","","2099.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cd N2 O8 -","- C20 H24 Cd N2 O8 -","- C80 H96 Cd4 N8 O32 -","4","1","","Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Tomar, Kapil; Konar, Sanjit","Exploration of Structural Topologies in Metal‒Organic Frameworks Based on 3-(4-Carboxyphenyl)propionic Acid, Their Synthesis, Sorption, and Luminescent Property Studies","Crystal Growth & Design","2014","14","4","2022","","10.1021/cg500149s","","","0.71073","MoKα","","0.0538","0.0532","","","0.1572","0.1578","","","","","","1.128","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510273","14.5663","0.0006","13.4855","0.0005","24.6581","0.0014","90","","94.734","0.002","90","","4827.2","0.4","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H18 Cu N4 O4 -","- C22 H18 Cu N4 O4 -","- C176 H144 Cu8 N32 O32 -","8","1","","Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Tomar, Kapil; Konar, Sanjit","Exploration of Structural Topologies in Metal‒Organic Frameworks Based on 3-(4-Carboxyphenyl)propionic Acid, Their Synthesis, Sorption, and Luminescent Property Studies","Crystal Growth & Design","2014","14","4","2022","","10.1021/cg500149s","","","0.71073","MoKα","","0.0826","0.0621","","","0.1422","0.1491","","","","","","1.152","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510274","23.6532","0.0009","16.1209","0.0006","13.6472","0.0005","90","","97.159","0.001","90","","5163.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cd2 N8 O8 -","- C44 H36 Cd2 N8 O8 -","- C176 H144 Cd8 N32 O32 -","4","1","","Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Tomar, Kapil; Konar, Sanjit","Exploration of Structural Topologies in Metal‒Organic Frameworks Based on 3-(4-Carboxyphenyl)propionic Acid, Their Synthesis, Sorption, and Luminescent Property Studies","Crystal Growth & Design","2014","14","4","2022","","10.1021/cg500149s","","","0.71073","MoKα","","0.1048","0.0924","","","0.2303","0.2376","","","","","","1.149","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510275","19.418","0.003","19.418","0.003","25.392","0.004","90","","90","","90","","9574","3","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 Cu N8 O4 P2 -","- C20 H20 Cu N8 O4 P2 -","- C320 H320 Cu16 N128 O64 P32 -","16","0.5","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0375","0.0283","","","0.0771","0.0856","","","","","","1.045","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4510276","13.158","0.008","14.942","0.009","16.667","0.01","90","","90","","90","","3277","3","296","2","296","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C26 H42 Cu N10 O10 P2 -","- C26 H34 Cu N10 O10 P2 -","- C104 H136 Cu4 N40 O40 P8 -","4","0.25","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0623","0.058","","","0.1657","0.1683","","","","","","1.163","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510277","13.158","0.008","14.942","0.009","16.667","0.01","90","","90","","90","","3277","3","100","2","100","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C20 H24 Cu N8 O6 P2 -","- C20 H24 Cu N8 O6 P2 -","- C80 H96 Cu4 N32 O24 P8 -","4","0.25","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0434","0.0396","","","0.108","0.1096","","","","","","1.129","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510278","13.4495","0.0014","15.0521","0.0016","16.6729","0.0017","90","","90","","90","","3375.3","0.6","100","2","100","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C20 H22 Cu N8 O6 P2 -","- C20 H24 Cu N8 O6 P2 -","- C80 H96 Cu4 N32 O24 P8 -","4","0.25","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0878","0.0862","","","0.1832","0.1838","","","","","","1.201","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4510279","11.08","0.0003","10.0088","0.0003","14.0334","0.0004","90","","90.584","0.002","90","","1556.19","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Cu N10 O6 P2 -","- C26 H34 Cu N10 O6 P2 -","- C52 H68 Cu2 N20 O12 P4 -","2","0.5","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0502","0.0358","","","0.0943","0.1027","","","","","","1.06","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510280","11.6307","0.0015","19.702","0.002","15.3466","0.0019","90","","110.414","0.003","90","","3295.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H65 Cu2 N21 O11 P4 -","- C53 H65 Cu2 N21 O11 P4 -","- C106 H130 Cu4 N42 O22 P8 -","2","0.5","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0791","0.0469","","","0.1076","0.1239","","","","","","1.035","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510282","7.3792","0.0008","9.4077","0.001","14.9887","0.0016","79.44","0.004","81.526","0.004","88.573","0.004","1011.74","0.19","97","2","97","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O8 -","- C22 H24 N2 O8 -","- C44 H48 N4 O16 -","2","1","","Grecu, Tudor; Adams, Harry; Hunter, Christopher A.; McCabe, James F.; Portell, Anna; Prohens, Rafel","Virtual Screening Identifies New Cocrystals of Nalidixic Acid","Crystal Growth & Design","2014","14","4","1749","","10.1021/cg401889h","","","0.71073","MoKα","","0.0642","0.0423","","","0.1137","0.132","","","","","","1.041","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510283","6.9991","0.0014","12.106","0.002","13.199","0.003","96.07","0.03","103.76","0.03","106.11","0.03","1025.8","0.4","97","2","97","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C44 H52 N4 O10 -","2","1","","Grecu, Tudor; Adams, Harry; Hunter, Christopher A.; McCabe, James F.; Portell, Anna; Prohens, Rafel","Virtual Screening Identifies New Cocrystals of Nalidixic Acid","Crystal Growth & Design","2014","14","4","1749","","10.1021/cg401889h","","","0.71073","MoKα","","0.0492","0.0374","","","0.1083","0.1224","","","","","","1.054","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510284","13.2492","0.0002","10.8238","0.00014","8.37998","0.0001","96.0718","0.0008","93.5031","0.0011","91.5041","0.001","1192.12","0.03","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N4 O3 -","- C28 H26 N4 O3 -","- C56 H52 N8 O6 -","2","1","","Grecu, Tudor; Adams, Harry; Hunter, Christopher A.; McCabe, James F.; Portell, Anna; Prohens, Rafel","Virtual Screening Identifies New Cocrystals of Nalidixic Acid","Crystal Growth & Design","2014","14","4","1749","","10.1021/cg401889h","powder diffraction","","1.54175","CuKα","","","","","","","","","3.9217","3.74","","","","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510285","19.3678","0.0002","13.85573","0.0001","7.72653","0.00005","90","","95.03","0.0007","90","","2065.47","0.03","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Grecu, Tudor; Adams, Harry; Hunter, Christopher A.; McCabe, James F.; Portell, Anna; Prohens, Rafel","Virtual Screening Identifies New Cocrystals of Nalidixic Acid","Crystal Growth & Design","2014","14","4","1749","","10.1021/cg401889h","powder diffraction","","1.5418","CuKα","","","","","","","","","5.1593","6","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4510286","10.1658","0.0008","17.0109","0.0012","19.4946","0.0012","85.379","0.008","84.001","0.008","73.599","0.008","3211.7","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Fe N6 S2 -","- C30 H36 Fe N6 S2 -","- C120 H144 Fe4 N24 S8 -","4","2","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0715","0.0434","","","0.1076","0.1188","","","","","","0.981","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510287","9.8148","0.0003","16.9806","0.0007","20.0807","0.0006","90","","99.849","0.002","90","","3297.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Mn N6 S2 -","- C30 H36 Mn N6 S2 -","- C120 H144 Mn4 N24 S8 -","4","1","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0853","0.0663","","","0.1545","0.1656","","","","","","1.128","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510288","10.3881","0.0004","16.3106","0.0007","20.1423","0.0008","91.552","0.003","90.799","0.003","102.835","0.003","3325.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Fe N6 S2 -","- C30 H36 Fe N6 S2 -","- C120 H144 Fe4 N24 S8 -","4","2","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.1201","0.0777","","","0.1961","0.2237","","","","","","1.061","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510289","8.9684","0.0006","10.677","0.0007","10.956","0.0007","67.46","0.005","67.36","0.005","83.94","0.005","893.21","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C32 H36 N8 Ni2 S4 -","2","1","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0921","0.0516","","","0.1194","0.1351","","","","","","1.04","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510290","11.1707","0.0008","39.5124","0.0019","9.133","0.0007","90","","115.2","0.008","90","","3647.5","0.5","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H18 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C128 H144 N32 Ni8 S16 -","8","2","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0477","0.0383","","","0.1002","0.1043","","","","","","1.037","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510291","5.7737","0.0004","18.3907","0.001","8.5647","0.0006","90","","96.165","0.008","90","","904.16","0.1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Mn N4 S2 -","- C16 H18 Mn N4 S2 -","- C32 H36 Mn2 N8 S4 -","2","0.5","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0375","0.0303","","","0.0754","0.0779","","","","","","1.032","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510292","11.8301","0.0005","16.4075","0.0008","18.6847","0.0008","72.304","0.003","75.684","0.004","77.015","0.004","3303.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Mn N6 S2 -","- C30 H36 Mn N6 S2 -","- C120 H144 Mn4 N24 S8 -","4","2","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0904","0.0605","","","0.1519","0.1688","","","","","","1.043","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510293","11.0253","0.0007","12.8112","0.0007","7.6416","0.0005","90","","107.476","0.007","90","","1029.54","0.12","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Mn N4 O2 S2 -","- C16 H22 Mn N4 O2 S2 -","- C32 H44 Mn2 N8 O4 S4 -","2","0.5","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0523","0.0426","","","0.1112","0.1174","","","","","","1.04","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510294","11.009","0.001","12.165","0.0009","23.177","0.002","94.727","0.01","95.591","0.011","110.903","0.009","2862.9","0.5","170","2","170","2","","","","","","","","4","P -1","-P 1","2","C2C12imBr","1-Ethyl-3-Dodecylimidazolium bromide","","- C17 H33 Br N2 -","- C17 H33 Br N2 -","- C102 H198 Br6 N12 -","6","3","","Yang, Mei; Mallick, Bert; Mudring, Anja-Verena","A Systematic Study on the Mesomorphic Behavior of Asymmetrical 1-Alkyl-3-dodecylimidazolium Bromides","Crystal Growth & Design","2014","14","4","1561","","10.1021/cg401396n","","","0.71073","MoKα","","0.0554","0.0293","","","0.0563","0.0599","","","","","","0.785","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510295","12.246","0.002","12.25","0.003","34.687","0.007","90","","90.55","0.03","90","","5203.3","1.9","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H30 S2 Si2 -","- C26 H30 S2 Si2 -","- C208 H240 S16 Si16 -","8","2","","Postnikov, Valery A.; Odarchenko, Yaroslav I.; Iovlev, Alexander V.; Bruevich, Vladimir V.; Pereverzev, Alexander Yu.; Kudryashova, Ludmila G.; Sobornov, Vladimir V.; Vidal, Loïc; Chernyshov, Dmitry; Luponosov, Yuriy N.; Borshchev, Oleg V.; Surin, Nikolay M.; Ponomarenko, Sergei A.; Ivanov, Dimitri A.; Paraschuk, Dmitry Yu.","Molecularly Smooth Single-Crystalline Films of Thiophene‒Phenylene Co-Oligomers Grown at the Gas‒Liquid Interface","Crystal Growth & Design","2014","14","4","1726","","10.1021/cg401876a","","","0.69411","synchrotron","","0.0749","0.0606","","","0.1727","0.1839","","","","","","1.07","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510296","5.7908","0.0001","7.2544","0.0002","35.8193","0.0009","90","0.003","94.256","0.002","90","0.002","1500.58","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F2 S2 -","- C20 H12 F2 S2 -","- C80 H48 F8 S8 -","4","1","","Postnikov, Valery A.; Odarchenko, Yaroslav I.; Iovlev, Alexander V.; Bruevich, Vladimir V.; Pereverzev, Alexander Yu.; Kudryashova, Ludmila G.; Sobornov, Vladimir V.; Vidal, Loïc; Chernyshov, Dmitry; Luponosov, Yuriy N.; Borshchev, Oleg V.; Surin, Nikolay M.; Ponomarenko, Sergei A.; Ivanov, Dimitri A.; Paraschuk, Dmitry Yu.","Molecularly Smooth Single-Crystalline Films of Thiophene‒Phenylene Co-Oligomers Grown at the Gas‒Liquid Interface","Crystal Growth & Design","2014","14","4","1726","","10.1021/cg401876a","","","0.69412","synchrotron","","0.0663","0.0611","","","0.1981","0.2005","","","","","","1.106","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510297","32.4383","0.0011","16.1532","0.0004","14.8332","0.0008","90","","107.194","0.003","90","","7425","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H84 Ag3 N15 O24 -","- C60 H84 Ag3 N15 O24 -","- C240 H336 Ag12 N60 O96 -","4","0.5","","Kim, Euni; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Suprachannels via a Molecular Array of 2D Networks: Solvent Effects, Anion Exchange, and Physicochemical Properties of Silver(I) Complexes BearingN,N′,N″-Tris(2-pyridinylethyl)-1,3,5-benzenetricarboxamide","Crystal Growth & Design","2014","14","4","1888","","10.1021/cg500025k","","","0.71073","MoKα","","0.1147","0.1016","","","0.3011","0.3152","","","","","","1.282","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510298","33.154","0.0005","16.0516","0.0002","14.9568","0.0002","90","","108.308","0.001","90","","7556.73","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H88 Ag3 N15 O25 -","- C64 H88 Ag3 N15 O25 -","- C256 H352 Ag12 N60 O100 -","4","0.5","","Kim, Euni; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Suprachannels via a Molecular Array of 2D Networks: Solvent Effects, Anion Exchange, and Physicochemical Properties of Silver(I) Complexes BearingN,N′,N″-Tris(2-pyridinylethyl)-1,3,5-benzenetricarboxamide","Crystal Growth & Design","2014","14","4","1888","","10.1021/cg500025k","","","0.71073","MoKα","","0.0876","0.0747","","","0.2233","0.241","","","","","","1.031","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510299","14.1583","0.0002","27.6117","0.0003","9.6431","0.0001","90","","94.526","0.001","90","","3758.07","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H72 Ag3 N15 O19 -","- C62 H72 Ag3 N15 O19 -","- C124 H144 Ag6 N30 O38 -","2","0.5","","Kim, Euni; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Suprachannels via a Molecular Array of 2D Networks: Solvent Effects, Anion Exchange, and Physicochemical Properties of Silver(I) Complexes BearingN,N′,N″-Tris(2-pyridinylethyl)-1,3,5-benzenetricarboxamide","Crystal Growth & Design","2014","14","4","1888","","10.1021/cg500025k","","","0.71073","MoKα","","0.13","0.0811","","","0.2432","0.2846","","","","","","1.028","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510300","12.867","0.015","9.93","0.012","8.001","0.009","90","","90","","90","","1022","2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","K1.7Na1.3B6O10Br","","","- B6 Br K1.7 Na1.3 O10 -","- B6 Br K1.697 Na1.303 O10 -","- B24 Br4 K6.788 Na5.212 O40 -","4","0.5","","Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan","Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property","Crystal Growth & Design","2014","14","4","1794","","10.1021/cg4019103","","","0.71073","MoKα","","0.0667","0.0447","","","0.1018","0.1171","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510301","12.818","0.003","10.041","0.002","7.5413","0.0019","90","","90","","90","","970.6","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","K0.80Na2.20B6O10Br","","","- B6 Br K0.8 Na2.2 O10 -","- B6 Br K0.801 Na2.199 O10 -","- B24 Br4 K3.204 Na8.796 O40 -","4","0.5","","Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan","Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property","Crystal Growth & Design","2014","14","4","1794","","10.1021/cg4019103","","","0.71073","MoKα","","0.0534","0.0387","","","0.1144","0.142","","","","","","1.154","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510302","10.071","0.003","10.071","0.003","8.824","0.004","90","","90","","120","","775.1","0.5","296","2","296","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","K2.87Na0.13B6O10Br","","","- B6 Br K2.87 Na0.13 O10 -","- B6 Br K2.874 Na0.126 O10 -","- B18 Br3 K8.622 Na0.378 O30 -","3","0.166667","","Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan","Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property","Crystal Growth & Design","2014","14","4","1794","","10.1021/cg4019103","","","0.71073","MoKα","","0.0453","0.0424","","","0.0981","0.1002","","","","","","1.091","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510303","10.05","0.002","10.05","0.002","8.816","0.004","90","","90","","120","","771.1","0.4","296","2","296","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","K2.33Na0.67B6O10Br","","","- B6 Br K2.33 Na0.67 O10 -","- B6 Br K2.322 Na0.678 O10 -","- B18 Br3 K6.966 Na2.034 O30 -","3","0.166667","","Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan","Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property","Crystal Growth & Design","2014","14","4","1794","","10.1021/cg4019103","","","0.71073","MoKα","","0.0206","0.0197","","","0.0474","0.0476","","","","","","0.992","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510304","11.2209","0.0004","10.0203","0.0004","18.7351","0.0008","90","","90","","90","","2106.51","0.14","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510305","11.2187","0.0002","10.0056","0.0002","18.73","0.0004","90","","90","","90","","2102.44","0.07","275","2","275","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510306","11.20949","0.00018","9.98321","0.00018","18.7137","0.0003","90","","90","","90","","2094.19","0.06","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510307","11.20324","0.00019","9.96483","0.00018","18.7053","0.0004","90","","90","","90","","2088.23","0.07","225","2","225","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510308","11.1927","0.0003","9.9481","0.0003","18.6989","0.0007","90.406","0.003","90","","90","","2082","0.11","200","2","200","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510309","11.1828","0.0004","9.9261","0.0005","18.6889","0.001","90.679","0.005","90","","90","","2074.35","0.17","175","2","175","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510310","11.1763","0.0004","9.915","0.0006","18.6822","0.0011","90.912","0.006","90","","90","","2069.97","0.19","150","2","150","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510311","11.1668","0.0004","9.8988","0.0005","18.6714","0.001","91.313","0.005","90","","90","","2063.36","0.17","125","2","125","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510312","11.1619","0.0004","9.887","0.0004","18.6616","0.001","91.493","0.004","90","","90","","2058.75","0.16","100","2","100","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510313","5.4525","0.0005","19.9258","0.0012","9.8027","0.0009","90","","91.76","0.007","90","","1064.52","0.15","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510314","5.434","0.0005","19.9056","0.0012","9.7935","0.0009","90","","91.884","0.007","90","","1058.76","0.15","275","2","275","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510315","5.4179","0.0004","19.8855","0.0012","9.7869","0.0008","90","","91.958","0.007","90","","1053.8","0.13","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510316","5.403","0.0004","19.8661","0.0011","9.7808","0.0008","90","","92.048","0.006","90","","1049.17","0.13","225","2","225","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510317","5.3874","0.0004","19.8354","0.0011","9.7721","0.0007","90","","92.1","0.006","90","","1043.56","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510318","5.3738","0.0004","19.8094","0.001","9.7661","0.0007","90","","92.152","0.006","90","","1038.89","0.12","175","2","175","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510319","5.3615","0.0004","19.7898","0.001","9.7622","0.0007","90","","92.201","0.006","90","","1035.03","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510320","5.3512","0.0004","19.7699","0.0009","9.7591","0.0006","90","","92.228","0.005","90","","1031.66","0.11","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510321","5.3412","0.0003","19.7534","0.0009","9.7538","0.0006","90","","92.255","0.005","90","","1028.3","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510322","8.4484","0.0006","10.3292","0.0007","13.6867","0.0009","90","","104.576","0.004","90","","1155.93","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 Co N5 O7 -","- C23 H27 Co N5 O7 -","- C46 H54 Co2 N10 O14 -","2","1","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Chang, Bor-Chen; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Anion-Controlled Dielectric Behavior of Homochiral Tryptophan-Based Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","1572","","10.1021/cg401472k","","","0.71073","MoKα","","0.0623","0.0491","","","0.1167","0.1251","","","","","","1.02","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510323","8.4181","0.0002","10.3794","0.0002","13.6828","0.0003","90","","103.697","0.001","90","","1161.53","0.04","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H50 N10 O14 Zn2 -","- C46 H50 N10 O14 Zn2 -","- C46 H50 N10 O14 Zn2 -","1","0.5","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Chang, Bor-Chen; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Anion-Controlled Dielectric Behavior of Homochiral Tryptophan-Based Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","1572","","10.1021/cg401472k","","","0.71073","MoKα","","0.0313","0.0286","","","0.081","0.0984","","","","","","1.275","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510324","8.4008","0.0009","10.3355","0.0011","13.677","0.0015","90","","103.716","0.008","90","","1153.7","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 Co N5 O7 -","- C23 H25 Co N5 O7 -","- C46 H50 Co2 N10 O14 -","2","1","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Chang, Bor-Chen; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Anion-Controlled Dielectric Behavior of Homochiral Tryptophan-Based Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","1572","","10.1021/cg401472k","","","0.71073","MoKα","","0.1236","0.0755","","","0.1392","0.1581","","","","","","0.992","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510325","12.314","0.004","14.986","0.006","27.116","0.009","90","","106.765","0.013","90","","4791","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H9 N0 O11 Zn2 -","- C24 H9 O11 Zn2 -","- C96 H36 O44 Zn8 -","4","1","","Zhao, Nian; Sun, Fuxing; He, Hongming; Jia, Jiangtao; Zhu, Guangshan","Solvent-Induced Single Crystal To Single Crystal Transformation and Complete Metal Exchange of a Pyrene-Based Metal‒Organic Framework","Crystal Growth & Design","2014","14","4","1738","","10.1021/cg401887b","","","0.71073","MoKα","","0.0812","0.0559","","","0.1446","0.1532","","","","","","0.903","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510326","11.078","0.005","16.012","0.006","23.804","0.009","90","","95.333","0.009","90","","4204","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 O11 S Zn2 -","- C26 H15 O11 S Zn2 -","- C104 H60 O44 S4 Zn8 -","4","1","","Zhao, Nian; Sun, Fuxing; He, Hongming; Jia, Jiangtao; Zhu, Guangshan","Solvent-Induced Single Crystal To Single Crystal Transformation and Complete Metal Exchange of a Pyrene-Based Metal‒Organic Framework","Crystal Growth & Design","2014","14","4","1738","","10.1021/cg401887b","","","0.71073","MoKα","","0.1545","0.0769","","","0.2047","0.2297","","","","","","0.799","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510327","12.435","0.007","14.584","0.009","27.018","0.015","90","","107.87","0.02","90","","4663","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H0 Cu2 O11 -","- C24 H9 Cu2 O11 -","- C96 H36 Cu8 O44 -","4","1","","Zhao, Nian; Sun, Fuxing; He, Hongming; Jia, Jiangtao; Zhu, Guangshan","Solvent-Induced Single Crystal To Single Crystal Transformation and Complete Metal Exchange of a Pyrene-Based Metal‒Organic Framework","Crystal Growth & Design","2014","14","4","1738","","10.1021/cg401887b","","","0.71073","MoKα","","0.0881","0.0518","","","0.1204","0.129","","","","","","0.807","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510328","23.798","0.008","19.705","0.008","13.445","0.005","90","","112.564","0.008","90","","5822","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H19 N3 O7.5 Zn2 -","- C30 H19 N3 O7.5 Zn2 -","- C240 H152 N24 O60 Zn16 -","8","1","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0537","0.0402","","","0.1049","0.1118","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510329","12.1335","0.0011","7.9711","0.0007","20.3084","0.0019","90","","97.443","0.001","90","","1947.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Cl N3 O2 Zn -","- C22 H14 Cl N3 O2 Zn -","- C88 H56 Cl4 N12 O8 Zn4 -","4","1","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0408","0.0301","","","0.0727","0.0792","","","","","","1.035","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510330","12.5807","0.0016","9.3402","0.0012","19.104","0.003","90","","103.775","0.003","90","","2180.3","0.5","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C52 H34 N6 O9 Zn2 -","- C52 H34 N6 O9 Zn2 -","- C104 H68 N12 O18 Zn4 -","2","0.5","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0925","0.0531","","","0.1003","0.1159","","","","","","1.017","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510331","12.4642","0.0019","12.5823","0.0017","15.269","0.002","104.357","0.002","108.967","0.002","90.771","0.003","2182.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H32 N6 O8 Zn2 -","- C52 H32 N6 O8 Zn2 -","- C104 H64 N12 O16 Zn4 -","2","1","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.1129","0.0756","","","0.1281","0.1463","","","","","","1.046","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510332","11.605","0.002","12.34","0.002","14.606","0.004","99.002","0.003","96.346","0.004","116.734","0.002","1805.8","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H56 Cd2 N12 O9 -","- C88 H56 Cd2 N12 O9 -","- C88 H56 Cd2 N12 O9 -","1","0.5","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0375","0.0314","","","0.0709","0.0742","","","","","","1.035","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510333","14.896","0.003","9.8043","0.0017","17.559","0.003","90","","93.155","0.003","90","","2560.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H36 Cd3 N6 O12 -","- C60 H36 Cd3 N6 O12 -","- C120 H72 Cd6 N12 O24 -","2","0.5","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.105","0.0482","","","0.0889","0.108","","","","","","0.98","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510334","11.5711","0.0009","12.1705","0.0009","14.5802","0.0019","98.625","0.002","94.455","0.002","116.501","0.001","1792.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H56 N12 O10 Zn2 -","- C88 H56 N12 O10 Zn2 -","- C88 H56 N12 O10 Zn2 -","1","0.5","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0635","0.0462","","","0.1036","0.1129","","","","","","1.038","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510335","14.198","0.003","14.443","0.003","18.56","0.003","67.524","0.003","71.377","0.003","65.82","0.003","3147.9","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H86 N12 O39 Zn9 -","- C136 H86 N12 O39 Zn9 -","- C136 H86 N12 O39 Zn9 -","1","0.5","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0606","0.0421","","","0.0903","0.0998","","","","","","1.009","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510336","17.0836","0.0011","16.9192","0.0011","21.0915","0.0014","90","","110.954","0.004","90","","5693.1","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H50 N2 O21 Zn4 -","- C54 H45 N2 O21 Zn4 -","- C216 H180 N8 O84 Zn16 -","4","1","","Kim, Yeonga; Song, Jeong Hwa; Lee, Woo Ram; Phang, Won Ju; Lim, Kwang Soo; Hong, Chang Seop","Reversible Structural Flexibility and Sensing Properties of a Zn(II) Metal‒Organic Framework: Phase Transformation between Interpenetrating 3D Net and 2D Sheet","Crystal Growth & Design","2014","14","4","1933","","10.1021/cg500052v","","","0.71073","MoKα","","0.0766","0.0543","","","0.0912","0.0981","","","","","","1.025","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510337","14.05","0.002","20.156","0.003","20.378","0.003","90","","101.717","0.006","90","","5650.6","1.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Cd1.25 N2 O6 -","- C32 H20 Cd1.25 N2 O6 -","- C128 H80 Cd5 N8 O24 -","4","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Three Porphyrin-Encapsulating Metal‒Organic Materials with Ordered Metalloporphyrin Moieties","Crystal Growth & Design","2014","14","4","1526","","10.1021/cg500192d","","","1.54178","CuKα","","0.0958","0.0773","","","0.2111","0.2244","","","","","","0.984","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510338","30.4643","0.0006","30.4643","0.0006","10.0841","0.0004","90","","90","","120","","8104.9","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C240 H180 Cd17 Cl4 N24 O87 -","- C240.108 H144 Cd17 Cl4 N24 O87.162 -","- C240.108 H144 Cd17 Cl4 N24 O87.162 -","1","0.166667","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Three Porphyrin-Encapsulating Metal‒Organic Materials with Ordered Metalloporphyrin Moieties","Crystal Growth & Design","2014","14","4","1526","","10.1021/cg500192d","","","1.54178","CuKα","","0.1123","0.0863","","","0.2568","0.2811","","","","","","1.022","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510339","11.1578","0.0001","15.5651","0.0002","16.1486","0.0002","90","","103.75","","90","","2724.19","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][La(C12H6O4)2(H2O)]×H2O","[C6H7N4][La(C12H6O4)2(H2O)]×H2O","","- C30 H23 La N4 O10 -","- C30 H23 La N4 O10 -","- C120 H92 La4 N16 O40 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0172","0.0165","","","0.0624","0.0632","","","","","","1.013","","","","has coordinates","194586","2020-10-21","18:00:00",""
"4510340","11.179","0.005","15.482","0.007","16.052","0.007","90","","103.943","0.004","90","","2696","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Pr(C12H6O4)2(H2O)]×H2O","[C6H7N4][Pr(C12H6O4)2(H2O)]×H2O","","- C30 H23 N4 O10 Pr -","- C30 H23 N4 O10 Pr -","- C120 H92 N16 O40 Pr4 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0343","0.0323","","","0.1174","0.1219","","","","","","1.013","","","","has coordinates","194586","2020-10-21","18:00:00",""
"4510341","23.0803","0.0007","15.5854","0.0003","15.6694","0.0004","90","","103.898","0.002","90","","5471.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4]2[Sm2(C12H6O4)4(H2O)4]×1/2H2O","[C6H7N4]2[Sm2(C12H6O4)4(H2O)2]×1/2H2O","","- C60 H43 N8 O18.5 Sm2 -","- C60 H43 N8 O18.5 Sm2 -","- C240 H172 N32 O74 Sm8 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0354","0.0332","","","0.1155","0.1189","","","","","","0.986","","","","has coordinates","194586","2020-10-21","18:00:00",""
"4510342","11.7225","0.0001","15.7466","0.0001","15.4261","0.0001","90","","104.63","","90","","2755.17","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Eu(C12H6O4)2(H2O)]","[C6H7N4][Eu(C12H6O4)2(H2O)]","","- C30 H21 Eu N4 O9 -","- C30 H21 Eu N4 O9 -","- C120 H84 Eu4 N16 O36 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0296","0.0254","","","0.0759","0.0792","","","","","","1.012","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510343","11.7508","0.0004","15.7702","0.0004","15.359","0.0005","90","","104.795","0.001","90","","2751.85","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Gd(C12H6O4)2](H2O)","[C6H7N4][Gd(C12H6O4)2](H2O)","","- C30 H21 Gd N4 O9 -","- C30 H21 Gd N4 O9 -","- C120 H84 Gd4 N16 O36 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.044","0.0397","","","0.1215","0.128","","","","","","0.978","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510344","11.7438","0.0001","15.7457","0.0001","15.3042","0.0001","90","","105.051","0.001","90","","2732.88","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Tb(C12H6O4)2(H2O)]","[C6H7N4][Tb(C12H6O4)2(H2O)]","","- C30 H21 N4 O9 Tb -","- C30 H21 N4 O9 Tb -","- C120 H84 N16 O36 Tb4 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0302","0.0236","","","0.0569","0.0602","","","","","","1.004","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510345","11.7439","0.0001","15.7292","0.0002","15.2552","0.0002","90","","105.169","0.001","90","","2719.79","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Dy(C12H6O4)2(H2O)]","[C6H7N4][Dy(C12H6O4)2(H2O)]","","- C30 H21 Dy N4 O9 -","- C30 H21 Dy N4 O9 -","- C120 H84 Dy4 N16 O36 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0334","0.0291","","","0.0877","0.0912","","","","","","1.018","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510346","11.7276","0.0002","15.693","0.0003","15.2043","0.0003","90","","105.308","0.001","90","","2698.94","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Er(C12H6O4)2(H2O)]","[C6H7N4][Er(C12H6O4)2(H2O)]","","- C30 H21 Er N4 O9 -","- C30 H21 Er N4 O9 -","- C120 H84 Er4 N16 O36 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0516","0.0394","","","0.0859","0.0886","","","","","","0.965","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510347","9.5286","0.0003","9.7893","0.0003","13.7723","0.0005","90","","107.421","0.004","90","","1225.73","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cd3 O14 -","- C24 H18 Cd3 O14 -","- C48 H36 Cd6 O28 -","2","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.0751","0.0682","","","0.1531","0.1561","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510348","16.9258","0.0008","10.7402","0.0005","27.8893","0.0017","90","","105.97","0.005","90","","4874.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Cd3 N4 O14 -","- C50 H46 Cd3 N4 O14 -","- C200 H184 Cd12 N16 O56 -","4","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.0771","0.0555","","","0.0897","0.095","","","","","","1.162","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510349","14.6246","0.0008","12.9505","0.0006","14.8149","0.0008","90","","108.622","0.006","90","","2659","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H50 Cd3 N8 O16 -","- C52 H50 Cd3 N8 O16 -","- C104 H100 Cd6 N16 O32 -","2","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.051","0.0407","","","0.0731","0.0759","","","","","","1.087","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510350","18.7884","0.0008","10.2572","0.0004","13.2908","0.0007","90","","99.863","0.005","90","","2523.5","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H46 Cd3 N8 O14 -","- C52 H46 Cd3 N8 O14 -","- C104 H92 Cd6 N16 O28 -","2","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.0436","0.0372","","","0.0653","0.0679","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510351","10.3343","0.0007","13.2335","0.0011","17.7162","0.0012","106.678","0.006","92.95","0.005","107.797","0.007","2184","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H84 Cd3 N18 O20 -","- C84 H84 Cd3 N18 O20 -","- C84 H84 Cd3 N18 O20 -","1","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.1101","0.0738","","","0.1306","0.1419","","","","","","1.065","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510352","9.9516","0.0003","15.7818","0.0007","16.5509","0.0007","110.421","0.004","101.582","0.003","90.029","0.003","2379.37","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H106 Cd3 N10 O28 -","- C94 H106 Cd3 N10 O28 -","- C94 H106 Cd3 N10 O28 -","1","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.0971","0.076","","","0.1707","0.1804","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510353","5.877","0.003","19.574","0.009","12.586","0.006","90","","97.791","0.009","90","","1434.5","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 Se -","- C18 H12 N2 Se -","- C72 H48 N8 Se4 -","4","1","","Pati, Palas Baran; Zade, Sanjio S.","Benzoselenadiazole Containing Donor‒Acceptor‒Donor Small Molecules: Nonbonding Interactions, Packing Patterns, and Optoelectronic Properties","Crystal Growth & Design","2014","14","4","1695","","10.1021/cg401830f","","","0.71073","MoKα","","0.1298","0.0555","","","0.1343","0.167","","","","","","0.994","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510354","13.914","0.004","5.2933","0.0017","18.897","0.006","90","","110.716","0.006","90","","1301.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N2 S2 Se -","- C14 H8 N2 S2 Se -","- C56 H32 N8 S8 Se4 -","4","1","","Pati, Palas Baran; Zade, Sanjio S.","Benzoselenadiazole Containing Donor‒Acceptor‒Donor Small Molecules: Nonbonding Interactions, Packing Patterns, and Optoelectronic Properties","Crystal Growth & Design","2014","14","4","1695","","10.1021/cg401830f","","","0.71073","MoKα","","0.1514","0.0846","","","0.235","0.2922","","","","","","1.025","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510355","16.166","0.005","12.751","0.004","6.6381","0.0017","90","","90","","90","","1368.3","0.7","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 Se3 -","- C14 H8 N2 Se3 -","- C56 H32 N8 Se12 -","4","1","","Pati, Palas Baran; Zade, Sanjio S.","Benzoselenadiazole Containing Donor‒Acceptor‒Donor Small Molecules: Nonbonding Interactions, Packing Patterns, and Optoelectronic Properties","Crystal Growth & Design","2014","14","4","1695","","10.1021/cg401830f","","","0.71073","MoKα","","0.0788","0.0539","","","0.1563","0.1772","","","","","","1.067","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510356","4.9709","0.0002","9.7703","0.0005","24.2865","0.0013","90","","90","","90","","1179.53","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3-Hydroxy-2-(toluene-4-sulfonylamino)-propionic acid","3-Hydroxy-2-(toluene-4-sulfonylamino)-propionic acid","","- C10 H13 N O5 S -","- C10 H13 N O5 S -","- C40 H52 N4 O20 S4 -","4","1","","Zolotarev, Pavel N.; Arshad, Muhammad Nadeem; Asiri, Abdullah M.; Al-amshany, Zahra M.; Blatov, Vladislav A.","A Possible Route toward Expert Systems in Supramolecular Chemistry: 2-Periodic H-Bond Patterns in Molecular Crystals","Crystal Growth & Design","2014","14","4","1938","","10.1021/cg500066p","","","1.54184","CuKα","","0.0521","0.0442","","","0.1042","0.1123","","","","","","1.084","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510357","24.942","0.003","24.942","0.003","24.942","0.003","90","","90","","90","","15517","3","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C64 H64 N6 O30 Zn5 -","- C63.96 H57.84 N5.98 O30 Zn5 -","- C255.84 H231.36 N23.92 O120 Zn20 -","4","0.166667","","Chun, Hyungphil; Bak, Woojeong; Hong, Keunil; Moon, Dohyun","A Simple and Rational Approach for Binodal Metal‒Organic Frameworks with Tetrahedral Nodes and Unexpected Multimodal Porosities from Nonstoichiometric Defects","Crystal Growth & Design","2014","14","4","1998","","10.1021/cg500116f","","","0.74999","Synchrotron","","0.0967","0.0709","","","0.2181","0.2343","","","","","","1.059","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510358","18.018","0.003","18.018","0.003","20.174","0.004","90","","90","","120","","5672","1.7","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C34 H40 N4 O18 Zn2 -","- C30 H24 N2 O18 Zn2 -","- C60 H48 N4 O36 Zn4 -","2","0.166667","","Chun, Hyungphil; Bak, Woojeong; Hong, Keunil; Moon, Dohyun","A Simple and Rational Approach for Binodal Metal‒Organic Frameworks with Tetrahedral Nodes and Unexpected Multimodal Porosities from Nonstoichiometric Defects","Crystal Growth & Design","2014","14","4","1998","","10.1021/cg500116f","","","0.8","Synchrotron","","0.1754","0.1121","","","0.2969","0.3192","","","","","","1.703","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510359","12.323","0.005","18.408","0.005","18.015","0.005","90","0.005","104.012","0.005","90","0.005","3965","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 F12 Fe2 N4 O4 S4 -","- C32 H28 F12 Fe2 N4 O4 S4 -","- C128 H112 F48 Fe8 N16 O16 S16 -","4","0.5","","Fornalczyk, Gregor; Valldor, Martin; Mathur, Sanjay","Monomeric Iron Heteroarylalkenolates: Structural Design Concepts and Investigations on Their Application in Chemical Vapor Deposition","Crystal Growth & Design","2014","14","4","1811","","10.1021/cg401930n","","","0.71073","MoKα","","0.0721","0.0489","","","0.1347","0.1536","","","","","","1.031","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510360","8.1848","0.0013","10.8195","0.0017","14.7741","0.0019","76.019","0.017","86.053","0.018","70.005","0.017","1192.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H23 F6 Fe N2 O3 S2 -","- C20 H23 F6 Fe N2 O3 S2 -","- C40 H46 F12 Fe2 N4 O6 S4 -","2","1","","Fornalczyk, Gregor; Valldor, Martin; Mathur, Sanjay","Monomeric Iron Heteroarylalkenolates: Structural Design Concepts and Investigations on Their Application in Chemical Vapor Deposition","Crystal Growth & Design","2014","14","4","1811","","10.1021/cg401930n","","","0.71073","MoKα","","0.0875","0.0416","","","0.0858","0.0961","","","","","","0.847","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510361","8.663","0.0017","6.5838","0.0013","9.0253","0.0018","90","","116.56","0.03","90","","460.4","0.2","123","1","123","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","(Me4N)(dcnm)","Tetramethylammonium dicyanonitrosomethanide","","- C7 H12 N4 O -","- C7 H13 N4 O -","- C14 H26 N8 O2 -","2","0.5","","Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study","Crystal Growth & Design","2014","14","4","1922","","10.1021/cg500051m","","","0.71073","MoKα","","0.0858","0.0691","","","0.1782","0.1954","","","","","","1.14","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510362","11.5852","0.0012","15.6154","0.0019","11.3954","0.0011","90","","109.555","0.005","90","","1942.6","0.4","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Me4N)(dcnom)","Tetramethylammonium dicyanonitromethanide","","- C7 H12 N4 O2 -","- C7 H12 N4 O2 -","- C56 H96 N32 O16 -","8","2","","Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study","Crystal Growth & Design","2014","14","4","1922","","10.1021/cg500051m","","","0.71073","MoKα","","0.066","0.0463","","","0.1161","0.1273","","","","","","1.046","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510363","11.5051","0.0008","16.5318","0.0011","6.3634","0.0004","90","","93.046","0.002","90","","1208.61","0.14","123","1","123","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(Me4N)(nbdm)","Tetramethylammonium nitroso-N,N-bis(dicyanomethanide)","","- C10 H12 N6 O -","- C10 H12 N6 O -","- C40 H48 N24 O4 -","4","0.5","","Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study","Crystal Growth & Design","2014","14","4","1922","","10.1021/cg500051m","","","0.71073","MoKα","","0.0572","0.0519","","","0.1236","0.128","","","","","","1.098","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510364","7.4023","0.0003","17.2639","0.0008","8.3753","0.0004","90","","95.899","0.002","90","","1064.63","0.08","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Me4N)(ccnom)","Tetramethylammonium carbamoylcyanonitrosomethanide","","- C7 H14 N4 O3 -","- C7 H14 N4 O3 -","- C28 H56 N16 O12 -","4","1","","Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study","Crystal Growth & Design","2014","14","4","1922","","10.1021/cg500051m","","","0.71073","MoKα","","0.0452","0.0362","","","0.0996","0.1063","","","","","","1.059","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510365","3.5082","0.0007","15.467","0.003","9.685","0.0019","90","","98.03","0.03","90","","520.37","0.18","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ag(ccnom)","Silver carbamoylcyanonitromethanide","","- C3 H2 Ag N3 O3 -","- C3 H2 Ag N3 O3 -","- C12 H8 Ag4 N12 O12 -","4","1","","Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study","Crystal Growth & Design","2014","14","4","1922","","10.1021/cg500051m","","","0.71073","MoKα","","0.0402","0.0256","","","0.0531","0.058","","","","","","1.075","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510366","8.6101","0.0005","10.4552","0.0007","9.3914","0.0007","90","","93.69","0.006","90","","843.66","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","1","","Coles, Simon J.; Threlfall, Terence L.; Tizzard, Graham J.","The Same but Different: Isostructural Polymorphs and the Case of 3-Chloromandelic Acid","Crystal Growth & Design","2014","14","4","1623","","10.1021/cg401655h","","","0.71075","MoKα","","0.1224","0.0676","","","0.1678","0.1978","","","","","","1.038","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510367","8.571","0.0005","9.2373","0.0005","10.3612","0.0007","91.818","0.009","90.226","0.009","93.118","0.009","818.69","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","2","","Coles, Simon J.; Threlfall, Terence L.; Tizzard, Graham J.","The Same but Different: Isostructural Polymorphs and the Case of 3-Chloromandelic Acid","Crystal Growth & Design","2014","14","4","1623","","10.1021/cg401655h","","","0.71075","MoKα","","0.0554","0.0381","","","0.087","0.0938","","","","","","1.01","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510368","31.9415","0.0009","36.1537","0.001","10.8862","0.0003","90","","90","","90","","12571.4","0.6","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C28 H20 O10 Pb4 -","- C28 H20 O10 Pb4 -","- C448 H320 O160 Pb64 -","16","1","","Easterday, Clay C.; Dedon, Liv R.; Zeller, Matthias; Oertel, Catherine M.","Helical∞1[Pb2O] Chains in Polymorphs of Pb2O(C6H5COO)2","Crystal Growth & Design","2014","14","4","2048","","10.1021/cg500177f","","","0.71073","MoKα","","0.0719","0.0378","","","0.0561","0.0635","","","","","","1.014","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510369","10.7791","0.0007","22.9541","0.0016","24.1692","0.0017","90","","90.212","0.001","90","","5980","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H40 O20 Pb8 -","- C56 H40 O20 Pb8 -","- C224 H160 O80 Pb32 -","4","2","","Easterday, Clay C.; Dedon, Liv R.; Zeller, Matthias; Oertel, Catherine M.","Helical∞1[Pb2O] Chains in Polymorphs of Pb2O(C6H5COO)2","Crystal Growth & Design","2014","14","4","2048","","10.1021/cg500177f","","","0.7749","synchrotron","","0.04","0.0374","","","0.0827","0.0841","","","","","","1.004","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510370","13.263","0.003","22.855","0.004","13.483","0.004","90","","97.923","0.003","90","","4048","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 O13 Pb4 -","- C42 H30 O13 Pb4 -","- C168 H120 O52 Pb16 -","4","0.5","","Easterday, Clay C.; Dedon, Liv R.; Zeller, Matthias; Oertel, Catherine M.","Helical∞1[Pb2O] Chains in Polymorphs of Pb2O(C6H5COO)2","Crystal Growth & Design","2014","14","4","2048","","10.1021/cg500177f","","","0.71073","MoKα","","0.0371","0.0261","","","0.0542","0.0599","","","","","","1.051","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510371","14.0905","0.0003","6.2506","0.0001","17.017","0.0003","90","","91.321","0.001","90","","1498.36","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-(benzo[d]isoxazole-3-yl)piperazin-1-yl)-2,2-dimethylpropanoic acid","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","","Braun, Doris E.; McMahon, Jennifer A.; Koztecki, Lien H.; Price, Sarah L.; Reutzel-Edens, Susan M.","Contrasting Polymorphism of Related Small Molecule Drugs Correlated and Guided by the Computed Crystal Energy Landscape","Crystal Growth & Design","2014","14","4","2056","","10.1021/cg500185h","","","1.54178","CuKα","","0.0454","0.0402","","","0.1061","0.1103","","","","","","1.098","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510372","9.397","0.0003","10.8925","0.0003","11.0095","0.0004","65.728","0.002","67.321","0.002","77.584","0.002","945.71","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C44 H50 N6 O6 -","2","1","","Braun, Doris E.; McMahon, Jennifer A.; Koztecki, Lien H.; Price, Sarah L.; Reutzel-Edens, Susan M.","Contrasting Polymorphism of Related Small Molecule Drugs Correlated and Guided by the Computed Crystal Energy Landscape","Crystal Growth & Design","2014","14","4","2056","","10.1021/cg500185h","","","1.54178","CuKα","","0.0537","0.0438","","","0.1128","0.1212","","","","","","1.046","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510373","9.2754","0.0004","10.0504","0.0005","11.858","0.0006","106.01","0.004","108.236","0.003","99.895","0.003","967.99","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C44 H50 N6 O6 -","2","1","","Braun, Doris E.; McMahon, Jennifer A.; Koztecki, Lien H.; Price, Sarah L.; Reutzel-Edens, Susan M.","Contrasting Polymorphism of Related Small Molecule Drugs Correlated and Guided by the Computed Crystal Energy Landscape","Crystal Growth & Design","2014","14","4","2056","","10.1021/cg500185h","","","1.54178","CuKα","","0.049","0.0392","","","0.1049","0.1115","","","","","","1.027","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510374","11.8907","0.0007","10.7607","0.0007","8.4193","0.0005","90","","101.46","0.001","90","","1055.79","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Mn N O5 P -","- C9 H10 Mn N O5 P -","- C36 H40 Mn4 N4 O20 P4 -","4","1","","Shi, Shao-Ping; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhou, Wei; Dai, Lu-Lu; Ma, Ming-Xue; Li, Wen-Zhu; Luo, Hui; Sun, Tong","Synthesis, Crystal Structures, and Surface Photovoltage and Molecular Recognition Properties of Three Novel Metal Carboxyphosphonates with a 3D Pillared-Layered Structure","Crystal Growth & Design","2014","14","4","1580","","10.1021/cg4015064","","","0.71073","MoKα","","0.0368","0.0283","","","0.0726","0.0779","","","","","","1.013","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510375","8.6664","0.0011","9.7198","0.0012","27.196","0.003","90","","90","","90","","2290.9","0.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H12 Co N O6 P -","- C9 H12 Co N O6 P -","- C72 H96 Co8 N8 O48 P8 -","8","1","","Shi, Shao-Ping; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhou, Wei; Dai, Lu-Lu; Ma, Ming-Xue; Li, Wen-Zhu; Luo, Hui; Sun, Tong","Synthesis, Crystal Structures, and Surface Photovoltage and Molecular Recognition Properties of Three Novel Metal Carboxyphosphonates with a 3D Pillared-Layered Structure","Crystal Growth & Design","2014","14","4","1580","","10.1021/cg4015064","","","0.71073","MoKα","","0.0594","0.0378","","","0.087","0.0988","","","","","","1.003","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510376","10.6837","0.0009","5.1842","0.0004","43.511","0.004","90","","90","","90","","2409.9","0.4","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H22 Cd3 N2 O13 P2 -","- C18 H22 Cd3 N2 O13 P2 -","- C72 H88 Cd12 N8 O52 P8 -","4","1","","Shi, Shao-Ping; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhou, Wei; Dai, Lu-Lu; Ma, Ming-Xue; Li, Wen-Zhu; Luo, Hui; Sun, Tong","Synthesis, Crystal Structures, and Surface Photovoltage and Molecular Recognition Properties of Three Novel Metal Carboxyphosphonates with a 3D Pillared-Layered Structure","Crystal Growth & Design","2014","14","4","1580","","10.1021/cg4015064","","","0.71073","MoKα","","0.0642","0.0548","","","0.1465","0.1561","","","","","","1.037","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510377","4.2226","0.0014","9.193","0.003","28.19","0.009","90.056","0.005","90.057","0.006","90.049","0.006","1094.3","0.6","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H13 N3 O3 S -","- C9 H13 N3 O3 S -","- C36 H52 N12 O12 S4 -","4","4","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.; Pashagin, Alexander V.; Bredikhina, Zemfira A.","Crystallization Features of the Chiral Drug Timolol Precursor: The Rare Case of Conglomerate with Partial Solid Solutions","Crystal Growth & Design","2014","14","4","1676","","10.1021/cg4017905","","","0.71073","MoKα","","0.0678","0.0519","","","0.1233","0.1334","","","","","","1.04","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510378","4.2026","0.0001","9.1884","0.0001","28.2702","0.0004","90","","90","","90","","1091.66","0.03","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N3 O3 S -","- C9 H13 N3 O3 S -","- C36 H52 N12 O12 S4 -","4","1","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.; Pashagin, Alexander V.; Bredikhina, Zemfira A.","Crystallization Features of the Chiral Drug Timolol Precursor: The Rare Case of Conglomerate with Partial Solid Solutions","Crystal Growth & Design","2014","14","4","1676","","10.1021/cg4017905","","","0.71073","MoKα","","0.0525","0.0459","","","0.1219","0.1274","","","","","","1.05","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510379","15.6644","0.0013","9.555","0.0008","10.0249","0.0008","90","","100.696","0.002","90","","1474.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Co N5 O3 -","- C12 H14 Co N5 O3 -","- C48 H56 Co4 N20 O12 -","4","1","","Liu, Bo; Shi, Jingtao; Yue, Ke-Fen; Li, Dong-Sheng; Wang, Yao-Yu","Distinct Temperature-Dependent CO2Sorption of Two Isomeric Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","2003","","10.1021/cg500121f","","","0.71073","MoKα","","0.0698","0.049","","","0.1428","0.1676","","","","","","1.043","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510380","10.018","0.009","35.527","0.003","9.37","0.08","90","","90","","90","","3335","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H7 Co N4 O2 -","- C9 H7 Co N4 O2 -","- C72 H56 Co8 N32 O16 -","8","1","","Liu, Bo; Shi, Jingtao; Yue, Ke-Fen; Li, Dong-Sheng; Wang, Yao-Yu","Distinct Temperature-Dependent CO2Sorption of Two Isomeric Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","2003","","10.1021/cg500121f","","","0.71069","MoKα","","0.169","0.0928","","","0.2237","0.2414","","","","","","1.066","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510381","5.6781","0.0001","4.727","0.0001","26.8696","0.0019","90","","93.081","0.007","90","","720.15","0.05","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Cl N2 O -","- C8 H5 Cl N2 O -","- C32 H20 Cl4 N8 O4 -","4","1","","Carter, Kelsey K.; Rycenga, Halley B.; McNeil, Anne J.","Improving Hg-Triggered Gelation via Structural Modifications.","Langmuir : the ACS journal of surfaces and colloids","2014","30","12","3522","3527","10.1021/la404567b","","","1.54178","CuKα","","0.048","0.0454","","","0.1019","0.1036","","","","","","1.167","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510382","6.7274","0.0001","17.3472","0.0003","8.5768","0.0006","90","","106.968","0.008","90","","957.35","0.08","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Hg N4 O7 -","- C16 H20 Hg N4 O7 -","- C32 H40 Hg2 N8 O14 -","2","1","","Carter, Kelsey K.; Rycenga, Halley B.; McNeil, Anne J.","Improving Hg-Triggered Gelation via Structural Modifications.","Langmuir : the ACS journal of surfaces and colloids","2014","30","12","3522","3527","10.1021/la404567b","","","1.54187","CuKα","","0.0157","0.0156","","","0.0368","0.0369","","","","","","1.041","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510383","8.8426","0.0004","7.5945","0.0004","12.9242","0.0006","90","","90.186","0.004","90","","867.92","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 O4 P -","- C19 H17 O4 P -","- C38 H34 O8 P2 -","2","1","","Zhou, Yougui; Zhang, Xuepeng; Liang, Huiyi; Cao, Zhenkun; Zhao, Xiaoyu; He, Yuwei; Wang, Shouliang; Pang, Jiyan; Zhou, Zhongyuan; Ke, Zhuofeng; Qiu, Liqin","Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity","ACS Catalysis","2014","4","5","1390","","10.1021/cs500208n","","","0.71073","MoKα","","0.0891","0.045","","","0.0977","0.1159","","","","","","1.003","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510384","10.228","0.0002","20.6215","0.0005","21.8081","0.0005","90","","90","","90","","4599.69","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 O2 P -","- C29 H21 O2 P -","- C232 H168 O16 P8 -","8","2","","Zhou, Yougui; Zhang, Xuepeng; Liang, Huiyi; Cao, Zhenkun; Zhao, Xiaoyu; He, Yuwei; Wang, Shouliang; Pang, Jiyan; Zhou, Zhongyuan; Ke, Zhuofeng; Qiu, Liqin","Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity","ACS Catalysis","2014","4","5","1390","","10.1021/cs500208n","","","0.71073","MoKα","","0.075","0.0405","","","0.0816","0.095","","","","","","1","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510385","5.7035","0.0007","5.9553","0.0007","23.535","0.002","82.94","0.009","84.447","0.009","63.14","0.012","706.97","0.15","15","","15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 Na O4 -","- C13 H21 Na O4 -","- C26 H42 Na2 O8 -","2","1","","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Bernazzani, Luca; Carignani, Elisa; Borsacchi, Silvia; Geppi, Marco","Solid‒Solid Transition between Hydrated Racemic Compound and Anhydrous Conglomerate in Na-Ibuprofen: A Combined X-ray Diffraction, Solid-State NMR, Calorimetric, and Computational Study","Crystal Growth & Design","2014","14","5","2441","","10.1021/cg500161e","","","0.71073","MoKα","","0.1103","0.0723","","","0.1689","0.1972","","","","","","1.059","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510386","5.7227","0.0005","5.9955","0.0005","23.661","0.002","83","0.007","89.351","0.007","63.032","0.009","717.26","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 Na O4 -","- C13.006 H21.027 Na O4 -","- C26.012 H42.054 Na2 O8 -","2","1","","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Bernazzani, Luca; Carignani, Elisa; Borsacchi, Silvia; Geppi, Marco","Solid‒Solid Transition between Hydrated Racemic Compound and Anhydrous Conglomerate in Na-Ibuprofen: A Combined X-ray Diffraction, Solid-State NMR, Calorimetric, and Computational Study","Crystal Growth & Design","2014","14","5","2441","","10.1021/cg500161e","","","0.71073","MoKα","","0.1341","0.0847","","","0.1979","0.2236","","","","","","1.076","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510387","5.7272","0.0006","6.0052","0.0006","23.723","0.002","83.333","0.009","89.081","0.009","63.06","0.01","721.83","0.14","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 Na O4 -","- C13.008 H21.036 Na O4 -","- C26.016 H42.072 Na2 O8 -","2","1","","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Bernazzani, Luca; Carignani, Elisa; Borsacchi, Silvia; Geppi, Marco","Solid‒Solid Transition between Hydrated Racemic Compound and Anhydrous Conglomerate in Na-Ibuprofen: A Combined X-ray Diffraction, Solid-State NMR, Calorimetric, and Computational Study","Crystal Growth & Design","2014","14","5","2441","","10.1021/cg500161e","","","0.71073","MoKα","","0.1008","0.0818","","","0.1734","0.1812","","","","","","1.125","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510388","5.7808","0.0005","6.0812","0.0005","23.998","0.002","95.309","0.008","90.212","0.008","117.137","0.009","746.54","0.13","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 Na O4 -","- C13.006 H21.018 Na O4 -","- C26.012 H42.036 Na2 O8 -","2","1","","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Bernazzani, Luca; Carignani, Elisa; Borsacchi, Silvia; Geppi, Marco","Solid‒Solid Transition between Hydrated Racemic Compound and Anhydrous Conglomerate in Na-Ibuprofen: A Combined X-ray Diffraction, Solid-State NMR, Calorimetric, and Computational Study","Crystal Growth & Design","2014","14","5","2441","","10.1021/cg500161e","","","0.71073","MoKα","","0.2339","0.0987","","","0.1831","0.2379","","","","","","1.055","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510389","7.668","0.002","12.341","0.003","35.548","0.004","90","","90","","90","","3363.9","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-D-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Seventeen-Membered Water Cluster Resulting from Recognition of Solvated Anions on Brucinium Corrugated Layers","Crystal Growth & Design","2014","14","5","2621","","10.1021/cg500310n","","","0.71073","MoKα","","0.1049","0.0587","","","0.1068","0.1273","","","","","","0.975","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510390","31.826","0.006","12.51","0.003","35.668","0.003","90","","104.98","0.03","90","","13718","5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-(4-nitrobenzoyl)-L-alaninate 4.8-hydrate","","- C33 H45.6 N4 O13.8 -","- C33 H44.745 N4 O13.8 -","- C528 H715.92 N64 O220.8 -","16","4","","Białońska, Agata; Ciunik, Zbigniew","Seventeen-Membered Water Cluster Resulting from Recognition of Solvated Anions on Brucinium Corrugated Layers","Crystal Growth & Design","2014","14","5","2621","","10.1021/cg500310n","","","0.71073","MoKα","","0.29","0.0954","","","0.1553","0.2321","","","","","","0.955","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510391","34.838","0.014","4.952","0.002","18.965","0.008","90","","107.238","0.005","90","","3125","2","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 F6 N2 -","- C18.0004 H12.0004 F6 N2 -","- C144.003 H96.0032 F48 N16 -","8","1","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0642","","","","0.1915","","","","","","1.01","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510392","10.0242","0.001","16.1126","0.0015","25.623","0.003","106.177","0.001","95.81","0.001","100.358","0.001","3859.4","0.7","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H14 F6 N2 -","- C23 H14 F6 N2 -","- C184 H112 F48 N16 -","8","4","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0485","","","","0.1402","","","","","","1.037","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510393","9.616","0.003","9.852","0.003","18.004","0.007","103.332","0.005","98.571","0.005","105.946","0.004","1554.2","0.9","90","","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 F6 N2 -","- C18 H12 F6 N2 -","- C72 H48 F24 N8 -","4","2","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71073","MoKα","","","0.0456","","","","0.1331","","","","","","1.028","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510394","7.637","0.004","15.587","0.007","16.449","0.008","90","","114.098","0.005","90","","1787.4","1.5","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F6 N2 -","- C20 H16 F6 N2 -","- C80 H64 F24 N8 -","4","1","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0383","","","","0.106","","","","","","1.047","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510395","4.933","0.0015","68.63","0.03","9.492","0.004","90","","104.44","0.04","90","","3112","2","90","","90","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N2 -","- C18 H12 F6 N2 -","- C144 H96 F48 N16 -","8","2","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71075","MoKα","","","0.0549","","","","0.1357","","","","","","0.946","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510396","31.797","0.006","5.0671","0.001","25.628","0.005","90","","108.368","0.002","90","","3918.8","1.3","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H14 F6 N2 -","- C23 H14 F6 N2 -","- C184 H112 F48 N16 -","8","1","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0513","","","","0.1507","","","","","","1.046","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510397","21.797","0.005","4.7866","0.0011","31.64","0.007","90","","90","","90","","3301.1","1.3","90","","90","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H14 F6 N2 -","- C19 H14 F6 N2 -","- C152 H112 F48 N16 -","8","2","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0488","","","","0.125","","","","","","1.051","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510398","8.858","0.003","9.351","0.003","11.404","0.004","81.884","0.004","89.636","0.004","65.688","0.003","850.8","0.5","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 F6 N2 -","- C19 H14 F6 N2 -","- C38 H28 F12 N4 -","2","1","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0343","","","","0.0914","","","","","","1.043","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510399","8.6087","0.0006","17.1155","0.0017","12.3063","0.0012","90","","107.67","0.006","90","","1727.7","0.3","150","1","150","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Br-Cl12BsubPc benzene solvate","Bromido(dodecachlorosubphthalocyaninato)boron(III)(benzene)","","- C30 H6 B Br Cl12 N6 -","- C30 H6 B Br Cl12 N6 -","- C60 H12 B2 Br2 Cl24 N12 -","2","0.5","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.1152","0.052","","","0.1017","0.1234","","","","","","1.003","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510400","13.1035","0.0003","7.4123","0.0002","25.5026","0.0006","90","","99.543","0.0014","90","","2442.71","0.1","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cl-Cl6BsubPc","Chlorodo(hexachlorosubphthalocyaninato)boron(III)","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.0727","0.0444","","","0.1065","0.1226","","","","","","1.042","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510401","8.5924","0.0002","14.3712","0.0006","14.8152","0.0006","113.893","0.0015","97.251","0.002","93.484","0.002","1646.6","0.11","150","1","150","1","","","","","","","","5","P -1","-P 1","2","Cl-Cl12BsubPc chloroform solvate","Chlorodo(dodecachlorosubphthalocyaninato)boron(III)(chloroform)","","- C25 H B Cl16 N6 -","- C25 H B Cl16 N6 -","- C50 H2 B2 Cl32 N12 -","2","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.091","0.0476","","","0.102","0.1248","","","","","","1.045","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510402","8.5071","0.0004","16.7281","0.0004","12.8155","0.0006","90","","106.602","0.0016","90","","1747.72","0.12","150","1","150","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Cl-Cl12BsubPc toluene solvate","Chlorodo(dodecachlorosubphthalocyaninato)boron(III)(toluene)","","- C31 H8 B Cl13 N6 -","- C31 H8 B Cl13 N6 -","- C62 H16 B2 Cl26 N12 -","2","0.5","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.0713","0.0422","","","0.0969","0.1137","","","","","","1.045","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510403","8.6097","0.0005","14.8531","0.0009","15.6559","0.001","79.815","0.003","74.727","0.003","88.451","0.003","1900.5","0.2","147","2","147","2","","","","","","","","6","P -1","-P 1","2","Br-Cl12BsubPc toluene solvate","Bromido(dodecachlorosubphthalocyaninato)boron(III)(toluene)","","- C34.5 H12 B Br Cl12 N6 -","- C34.5 H12 B Br Cl12 N6 -","- C69 H24 B2 Br2 Cl24 N12 -","2","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","1.54178","CuKα","","0.0705","0.0578","","","0.1593","0.1667","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510404","13.1456","0.0003","7.4954","0.0003","25.5678","0.001","90","","99.523","0.002","90","","2484.52","0.15","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Br/Cl-Cl6BsubPc","Bromido/chlorodo(hexachlorosubphthalocyaninato)boron(III)","","- C24 H6 B Br0.27 Cl6.73 N6 -","- C24 H6 B Br0.267 Cl6.733 N6 -","- C96 H24 B4 Br1.068 Cl26.932 N24 -","4","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.1207","0.0555","","","0.128","0.1596","","","","","","0.987","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510405","8.6142","0.0003","12.4441","0.0004","13.806","0.0005","89.047","0.0019","85.918","0.002","88.701","0.0017","1475.65","0.09","150","1","150","1","","","","","","","","4","P -1","-P 1","2","Cl-Cl12BsubPc sublimate","Chlorodo(dodecachlorosubphthalocyaninato)boron(III)","","- C24 B Cl13 N6 -","- C24 B Cl13 N6 -","- C48 B2 Cl26 N12 -","2","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.0582","0.0373","","","0.0841","0.0952","","","","","","1.042","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510406","12.0109","0.0003","23.7971","0.0005","15.1235","0.0005","90","","105.527","0.0012","90","","4164.9","0.2","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","F5PhO-Cl12BsubPc toluene solvate","(Pentafluorophenolato)(dodecachlorosubphthalocyaninato)boron(III)(toluene2)","","- C39.75 H11.5 B Cl12 F5 N6.5 O -","- C39.75 H11.5 B Cl12 F5 N6.5 O -","- C159 H46 B4 Cl48 F20 N26 O4 -","4","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.1057","0.0542","","","0.1234","0.1519","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510407","17.053","0.006","11.363","0.004","18.518","0.006","90","","116.226","0.004","90","","3218.9","1.9","98","2","98","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H50 N4 O14 Zn2 -","- C56 H50 N4 O14 Zn2 -","- C112 H100 N8 O28 Zn4 -","2","0.5","","Alawisi, Hussah; Li, Bin; He, Yabing; Arman, Hadi D.; Asiri, Abdullah M.; Wang, Hailong; Chen, Banglin","A Microporous Metal‒Organic Framework Constructed from a New Tetracarboxylic Acid for Selective Gas Separation","Crystal Growth & Design","2014","14","5","2522","","10.1021/cg500235j","","","0.71073","MoKα","","0.1139","0.1088","","","0.3484","0.3606","","","","","","1.65","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510408","30.04","0.02","30.04","0.02","13.361","0.01","90","","90","","120","","10442","13","228","2","228","2","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C54 H30 Cr3 N6 O28 S3 Zn3 -","- C54 H30 Cr3 N6 O28 S3 Zn3 -","- C108 H60 Cr6 N12 O56 S6 Zn6 -","2","0.0833333","","Schoedel, Alexander; Jaquier, Michael; Boyette, Wesley; Wojtas, Lukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","4,6-ConnectedfsbTopology Networks Obtained through Two-Step Crystal Engineering of Decorated Trigonal Prismatic Nodes","Crystal Growth & Design","2014","14","5","2115","","10.1021/cg500205f","","","1.54178","CuKα","","0.0895","0.0678","","","0.1814","0.1878","","","","","","1.009","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510409","30.242","0.004","30.242","0.004","13.406","0.003","90","","90","","120","","10618","3","228","2","228","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C60 H36 Cr3 N6 O28 Zn3 -","- C60 H36 Cr3 N6 O28 Zn3 -","- C120 H72 Cr6 N12 O56 Zn6 -","2","0.0833333","","Schoedel, Alexander; Jaquier, Michael; Boyette, Wesley; Wojtas, Lukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","4,6-ConnectedfsbTopology Networks Obtained through Two-Step Crystal Engineering of Decorated Trigonal Prismatic Nodes","Crystal Growth & Design","2014","14","5","2115","","10.1021/cg500205f","","","1.54178","CuKα","","0.0833","0.0666","","","0.1881","0.1956","","","","","","1.085","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510410","15.748","0.009","6.067","0.003","15.816","0.008","90","","104.771","0.016","90","","1461.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0607","0.0431","","","0.1082","0.1395","","","","","","1.068","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510411","15.791","0.0011","6.0752","0.0004","15.8571","0.0011","90","","104.798","0.002","90","","1470.77","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0516","0.0379","","","0.1027","0.1299","","","","","","1.137","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510412","9.1696","0.0003","6.1","0.0002","14.0886","0.0006","90","","102.164","0.002","90","","770.35","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C32 H36 Br2 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0525","0.0354","","","0.1055","0.1318","","","","","","0.869","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510413","9.0497","0.0004","6.0462","0.0003","13.8277","0.0006","90","","100.174","0.002","90","","744.7","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C32 H36 Br2 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.035","0.028","","","0.0599","0.0853","","","","","","1.152","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510414","9.1044","0.0004","6.1014","0.0003","14.0785","0.0006","90","","102.464","0.001","90","","763.62","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C32 H36 Cl2 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0381","0.0344","","","0.0973","0.1092","","","","","","1.115","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510416","11.6182","0.001","6.0241","0.0005","11.6695","0.001","90","","106.132","0.002","90","","784.58","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0578","0.0397","","","0.1041","0.1398","","","","","","1.109","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510417","11.6215","0.001","6.0357","0.0005","11.674","0.001","90","","106.13","0.002","90","","786.62","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0473","0.0348","","","0.0966","0.1393","","","","","","0.819","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510418","18.814","0.004","5.7401","0.0012","14.803","0.003","90","","91.957","0.005","90","","1597.7","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0702","0.0464","","","0.1367","0.1681","","","","","","1.046","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510419","18.7783","0.0009","5.7284","0.0003","14.7747","0.0006","90","","91.946","0.005","90","","1588.39","0.13","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0915","0.0503","","","0.1566","0.1839","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510420","18.7305","0.001","5.7286","0.0003","14.6009","0.0008","90","","91.488","0.003","90","","1566.14","0.15","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C64 H72 Cl4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0622","0.0435","","","0.1298","0.162","","","","","","1.107","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510421","18.2329","0.0006","5.6931","0.0002","14.5435","0.0004","90","","92.219","0.001","90","","1508.51","0.08","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C64 H72 Cl4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0287","0.0263","","","0.0721","0.0828","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510422","20.1479","0.0017","6.3269","0.0005","12.3797","0.001","90","","92.249","0.005","90","","1576.9","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0691","0.0433","","","0.1308","0.1636","","","","","","1.125","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510423","20.1528","0.0009","6.3263","0.0003","12.373","0.0005","90","","92.303","0.004","90","","1576.19","0.12","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H16 F N O2 -","- C16 H16 F N O2 -","- C64 H64 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0529","0.0438","","","0.1354","0.1619","","","","","","1.205","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510424","18.4839","0.0006","5.8648","0.0001","14.7362","0.0004","90","","94.277","0.003","90","","1593.02","0.07","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0405","0.037","","","0.103","0.1081","","","","","","1.058","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510425","6.4736","0.0016","12.144","0.003","20.562","0.005","90","","90","","90","","1616.5","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.1133","0.0715","","","0.1817","0.2186","","","","","","1.436","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510426","6.4741","0.0003","12.1369","0.0005","20.5318","0.0008","90","","90","","90","","1613.3","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.1039","0.0767","","","0.2203","0.25","","","","","","1.046","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510427","6.488","0.0003","12.0928","0.0006","20.1117","0.001","90","","90","","90","","1577.93","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C64 H72 Cl4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0551","0.049","","","0.1455","0.16","","","","","","1.09","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510428","6.4865","0.0007","11.9271","0.0012","19.82","0.002","90","","90","","90","","1533.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C64 H72 Cl4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0328","0.0281","","","0.0669","0.0764","","","","","","1.057","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510429","6.472","0.0005","12.2437","0.0008","19.4058","0.0014","90","","90","","90","","1537.74","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0847","0.0473","","","0.1368","0.1755","","","","","","1.091","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510430","6.5083","0.0002","12.0454","0.0003","18.8508","0.0005","90","","90","","90","","1477.81","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.048","0.0348","","","0.0997","0.1248","","","","","","0.917","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510431","5.7242","0.0003","12.161","0.0007","22.5922","0.0013","90","","90","","90","","1572.69","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0563","0.0388","","","0.1112","0.1385","","","","","","1.15","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510432","5.7217","0.0003","12.1561","0.0007","22.5944","0.0012","90","","90","","90","","1571.52","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0683","0.0419","","","0.1161","0.1472","","","","","","1.133","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510433","5.7484","0.0005","12.1833","0.001","22.8871","0.0018","90","","90","","90","","1602.9","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.1235","0.0843","","","0.2584","0.3033","","","","","","1.048","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510434","5.7438","0.0003","12.1764","0.0007","22.8889","0.0012","90","","90","","90","","1600.82","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0579","0.0429","","","0.1257","0.1506","","","","","","1.139","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510435","5.9075","0.0011","12.565","0.002","20.215","0.004","90","","90","","90","","1500.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.1514","0.0561","","","0.1341","0.2061","","","","","","0.966","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510436","5.9102","0.0007","12.5547","0.0015","20.197","0.002","90","","90","","90","","1498.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0803","0.0473","","","0.1311","0.1691","","","","","","1.058","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510437","6.8857","0.0005","12.8536","0.0009","18.8943","0.0014","90","","90","","90","","1672.3","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0599","0.0447","","","0.1355","0.1623","","","","","","0.864","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510438","6.873","0.004","12.792","0.006","18.27","0.009","90","","90","","90","","1606.3","1.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0271","0.0262","","","0.0652","0.0672","","","","","","1.068","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510439","6.7277","0.0008","8.5988","0.001","27.314","0.003","90","","90","","90","","1580.1","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0751","0.0411","","","0.1132","0.146","","","","","","1.106","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510440","6.7196","0.0011","8.5932","0.0014","27.33","0.005","90","","90","","90","","1578.1","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0975","0.0657","","","0.1559","0.1952","","","","","","1.182","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510441","5.7057","0.0008","15.291","0.002","18.545","0.003","90","","90","","90","","1618","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 N2 O4 -","- C16 H10 N2 O3.66 -","- C64 H40 N8 O14.64 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0969","0.0832","","","0.2168","0.2367","","","","","","1.08","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510442","23.139","0.002","23.139","0.002","10.5768","0.0019","90","","90","","90","","5663","1.2","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C43 H58 Ag2 N16 O4 -","- C43 H58 Ag2 N16 O4 -","- C172 H232 Ag8 N64 O16 -","4","0.5","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1005","0.0785","","","0.1793","0.1906","","","","","","1.028","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510443","22.943","0.003","22.943","0.003","10.4944","0.0013","90","","90","","90","","5524.1","1.2","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C43 H58 Ag2 N16 O4 -","- C43 H58 Ag2 N16 O4 -","- C172 H232 Ag8 N64 O16 -","4","0.5","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1209","0.0878","","","0.2155","0.2276","","","","","","1.254","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510444","23.1175","0.0006","23.1175","0.0006","28.1024","0.0015","90","","90","","90","","15018.5","1","298","2","298","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C17 H23 Ag N6 O2 -","- C17 H23 Ag N6 O2 -","- C544 H736 Ag32 N192 O64 -","32","1","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.0433","0.0307","","","0.0737","0.0816","","","","","","1.021","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510445","23.326","0.0006","32.24","0.002","9.8621","0.0014","90","","90","","90","","7416.6","1.2","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30 H41 Ag2 N10 O4 -","- C30 H41 Ag2 N10 O4 -","- C240 H328 Ag16 N80 O32 -","8","","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.0605","0.0474","","","0.1154","0.126","","","","","","1.055","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510446","22.712","0.005","34.599","0.008","9.858","0.002","90","","90","","90","","7747","3","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C31 H43 Ag2 N10 O4 -","- C31 H43 Ag2 N10 O4 -","- C248 H344 Ag16 N80 O32 -","8","","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1278","0.054","","","0.0945","0.1204","","","","","","0.969","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510447","30.817","0.006","10.354","0.002","34.565","0.007","90","","98.748","0.004","90","","10901","4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H71 Ag2 N14 O10 -","- C42 H71 Ag2 N14 O10 -","- C336 H568 Ag16 N112 O80 -","8","1","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1098","0.0534","","","0.0996","0.1232","","","","","","0.966","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510448","49.04","0.01","10.368","0.002","34.821","0.012","90","","134.615","0.003","90","","12603","6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H68 Ag2 N16 O4 -","- C48 H68 Ag2 N16 O4 -","- C384 H544 Ag16 N128 O32 -","8","1","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1234","0.0743","","","0.1844","0.2001","","","","","","0.878","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510449","35.034","0.014","10.387","0.004","30.465","0.013","90","","113.813","0.007","90","","10142","7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H63 Ag2 N12 O7.5 -","- C39 H63 Ag2 N12 O7.5 -","- C312 H504 Ag16 N96 O60 -","8","1","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1222","0.0563","","","0.1321","0.1636","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510450","26.808","0.0014","8.1923","0.0005","23.3025","0.0016","90","","98.956","0.007","90","","5055.3","0.5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.6 H23.4 N3.2 O6.2 Zn -","- C21 H15 N2 O5 Zn -","- C168 H120 N16 O40 Zn8 -","8","1","","Masoomi, Mohammad Yaser; Stylianou, Kyriakos C.; Morsali, Ali; Retailleau, Pascal; Maspoch, Daniel","Selective CO2Capture in Metal‒Organic Frameworks with Azine-Functionalized Pores Generated by Mechanosynthesis","Crystal Growth & Design","2014","14","5","2092","","10.1021/cg500033b","","","1.54187","CuKα","","0.1091","0.0916","","","0.2561","0.2877","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510451","12.546","0.004","26.633","0.007","15.734","0.006","90","","97.869","0.004","90","","5208","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H57.5 N8.5 O14.5 Zn2 -","- C40 H26 N4 O10 Zn2 -","- C160 H104 N16 O40 Zn8 -","4","1","","Masoomi, Mohammad Yaser; Stylianou, Kyriakos C.; Morsali, Ali; Retailleau, Pascal; Maspoch, Daniel","Selective CO2Capture in Metal‒Organic Frameworks with Azine-Functionalized Pores Generated by Mechanosynthesis","Crystal Growth & Design","2014","14","5","2092","","10.1021/cg500033b","","","0.71073","MoKα","","0.0917","0.0702","","","0.2074","0.2239","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510452","12.5452","0.0008","13.1706","0.0007","13.9635","0.0008","83.394","0.005","83.929","0.005","73.324","0.005","2189","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H50 N2 O8 S2 -","- C50 H50 N2 O8 S2 -","- C100 H100 N4 O16 S4 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0931","0.0585","","","0.1256","0.1453","","","","","","1.035","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510453","8.9573","0.0006","9.1651","0.0014","20.0432","0.0018","86.677","0.01","86.805","0.006","63.623","0.01","1470.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 N O6 S -","- C30 H39 N O6 S -","- C60 H78 N2 O12 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.1009","0.0663","","","0.1619","0.1883","","","","","","1.021","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510454","9.2905","0.0006","12.7229","0.0009","13.1196","0.0008","97.514","0.005","108.613","0.006","97.648","0.006","1431.59","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H37 N O5 S -","- C30 H37 N O5 S -","- C60 H74 N2 O10 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0933","0.0645","","","0.1525","0.1692","","","","","","1.02","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510455","10.4196","0.0007","12.7334","0.0009","13.6397","0.0009","98.219","0.005","107.747","0.006","109.026","0.006","1569.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H41 N O5 S -","- C32 H41 N O5 S -","- C64 H82 N2 O10 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.1073","0.0669","","","0.1725","0.2041","","","","","","1.034","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510456","9.4949","0.0006","10.9884","0.0005","13.8529","0.0008","92.306","0.004","95.015","0.005","110.213","0.005","1347.28","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 N O4 S -","- C29 H33 N O4 S -","- C58 H66 N2 O8 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0939","0.0632","","","0.1592","0.1832","","","","","","1.004","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510457","10.8859","0.0006","14.7685","0.001","19.5931","0.001","69.419","0.005","87.083","0.004","77.81","0.005","2881.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H70 N2 O14 S2 -","- C60 H70 N2 O14 S2 -","- C120 H140 N4 O28 S4 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.1116","0.0692","","","0.1539","0.1803","","","","","","1.04","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510458","7.9064","0.0015","13.5759","0.0014","14.349","0.002","91.88","0.011","102.104","0.014","104.57","0.013","1451.5","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 N3 O5 S -","- C30 H35 N3 O5 S -","- C60 H70 N6 O10 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.096","0.0575","","","0.1158","0.1365","","","","","","1.024","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510459","9.2022","0.0004","15.7709","0.0006","19.6994","0.0011","90","","98.936","0.004","90","","2824.2","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N O5 S3 -","- C28 H33 N O5 S3 -","- C112 H132 N4 O20 S12 -","4","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.1002","0.069","","","0.1936","0.2158","","","","","","1.075","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510460","31.3213","0.0013","31.3213","0.0013","13.0094","0.0006","90","","90","","120","","11052.7","0.8","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H25 N O5 S -","- C24 H23 N O5 S -","- C432 H414 N18 O90 S18 -","18","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0913","0.0592","","","0.1393","0.1537","","","","","","1.019","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510461","8.8813","0.0007","10.3007","0.0007","13.0949","0.0011","108.557","0.007","94.862","0.006","97.117","0.006","1117.07","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O5 S -","- C24 H25 N O5 S -","- C48 H50 N2 O10 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0604","0.0435","","","0.1075","0.1177","","","","","","1.046","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510462","11.5015","0.0007","16.4403","0.0007","19.6538","0.0009","96.2","0.004","91.847","0.004","109.329","0.005","3477.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H76 N4 O6 S2 -","- C86 H76 N4 O6 S2 -","- C172 H152 N8 O12 S4 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0971","0.0593","","","0.1377","0.159","","","","","","1.022","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510463","15.2339","0.0004","33.4083","0.001","14.3529","0.0004","90","","90","","90","","7304.7","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H52 Dy5 K5 N10 O66 -","- C40 Dy5 K5 N10 O66 -","- C160 Dy20 K20 N40 O264 -","4","0.5","","Zhang, Fengming; Yan, Pengfei; Zou, Xiaoyan; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Novel 3D Alkali‒Lanthanide Heterometal‒Organic Frameworks with Pyrazine-2,3,5,6-tetracarboxylic Acid: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2014","14","4","2014","","10.1021/cg5001254","","","0.71073","MoKα","","0.0538","0.0444","","","0.0919","0.0966","","","","","","1.231","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510464","15.203","0.003","33.371","0.007","14.395","0.003","90","","90","","90","","7303","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H52 Ho5 K5 N10 O66 -","- C40 Ho5 K5 N10 O66 -","- C160 Ho20 K20 N40 O264 -","4","0.5","","Zhang, Fengming; Yan, Pengfei; Zou, Xiaoyan; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Novel 3D Alkali‒Lanthanide Heterometal‒Organic Frameworks with Pyrazine-2,3,5,6-tetracarboxylic Acid: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2014","14","4","2014","","10.1021/cg5001254","","","0.71073","MoKα","","0.0485","0.0316","","","0.0729","0.0814","","","","","","1.029","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510465","15.0646","0.0003","33.0834","0.0008","14.4068","0.0003","90","","90","","90","","7180.2","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H52 K5 N10 O66 Yb5 -","- C40 K5 N10 O66 Yb5 -","- C160 K20 N40 O264 Yb20 -","4","0.5","","Zhang, Fengming; Yan, Pengfei; Zou, Xiaoyan; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Novel 3D Alkali‒Lanthanide Heterometal‒Organic Frameworks with Pyrazine-2,3,5,6-tetracarboxylic Acid: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2014","14","4","2014","","10.1021/cg5001254","","","0.71073","MoKα","","0.0565","0.0466","","","0.0894","0.0936","","","","","","1.165","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510466","23.15","0.02","10.354","0.01","29.282","0.01","90","","90","","90","","7019","9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N2 O3.5 -","- C18 H19 N2 O3.5 -","- C288 H304 N32 O56 -","16","2","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.1908","0.0568","","","0.1316","0.1639","","","","","","0.923","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4510467","23.793","0.011","9.123","0.002","10.925","0.004","90","","102.6","0.02","90","","2314.3","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N2 O9 -","- C22 H24 N2 O9 -","- C88 H96 N8 O36 -","4","0.5","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.0542","0.05","","","0.132","0.1347","","","","","","1.11","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510468","7.041","0.004","12.717","0.005","16.156","0.007","90","","104.25","0.03","90","","1402.1","1.2","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N2 O3 -","- C12 H22 N2 O3 -","- C48 H88 N8 O12 -","4","1","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.0814","0.0604","","","0.1673","0.1815","","","","","","1.123","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510469","6.019","0.004","7.217","0.003","26.878","0.013","90","","90","","90","","1167.6","1.1","293","2","293","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.0508","0.0487","","","0.1131","0.1154","","","","","","1.067","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510470","10.737","0.006","11.931","0.005","16.323","0.007","90","","119.13","0.03","90","","1826.5","1.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N4 O7 -","- C16 H24 N4 O7 -","- C64 H96 N16 O28 -","4","1","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.1469","0.0532","","","0.1108","0.1345","","","","","","0.865","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510471","18.512","0.011","7.339","0.003","16.768","0.008","90","","102.9","","90","","2220.6","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H34 N4 O11 -","- C18 H34 N4 O11 -","- C72 H136 N16 O44 -","4","0.5","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.0487","0.0444","","","0.1146","0.1184","","","","","","1.104","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510472","14.63","0.003","20.316","0.004","19.24","0.004","90","","110.17","0.03","90","","5368","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H52 Cu N8 O8 S4 -","- C54 H52 Cu N8 O8 S4 -","- C216 H208 Cu4 N32 O32 S16 -","4","0.5","","Madhu, Vedichi; Das, Samar K.","Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions","Crystal Growth & Design","2014","14","5","2343","","10.1021/cg500039y","","","0.71073","MoKα","","0.1154","0.0523","","","0.1176","0.1345","","","","","","0.881","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510473","12.2467","0.0014","12.6654","0.0014","20.006","0.002","100.451","0.002","98.868","0.002","114.245","0.002","2690.5","0.5","571","2","571","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H52 N8 Ni O8 S4 -","- C54 H47 N8 Ni O8 S4 -","- C108 H94 N16 Ni2 O16 S8 -","2","1","","Madhu, Vedichi; Das, Samar K.","Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions","Crystal Growth & Design","2014","14","5","2343","","10.1021/cg500039y","","","0.71073","MoKα","","0.1995","0.0637","","","0.1132","0.15","","","","","","0.849","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4510474","12.2674","0.0009","12.6097","0.0009","20.1508","0.0014","100.108","0.001","99.267","0.001","114.157","0.001","2704.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H52 N8 O8 Pd S4 -","- C54 H47 N8 O8 Pd S4 -","- C108 H94 N16 O16 Pd2 S8 -","2","1","","Madhu, Vedichi; Das, Samar K.","Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions","Crystal Growth & Design","2014","14","5","2343","","10.1021/cg500039y","","","0.71073","MoKα","","0.1265","0.0521","","","0.0979","0.118","","","","","","0.825","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4510475","6.9946","0.0005","26.3116","0.0019","14.0147","0.001","90","","97.455","0.001","90","","2557.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 N8 O8 Pt S4 -","- C54 H52 N8 O8 Pt S4 -","- C108 H104 N16 O16 Pt2 S8 -","2","0.5","","Madhu, Vedichi; Das, Samar K.","Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions","Crystal Growth & Design","2014","14","5","2343","","10.1021/cg500039y","","","0.71073","MoKα","","0.0304","0.0276","","","0.0677","0.0689","","","","","","1.136","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510476","12.2553","0.0007","13.983","0.0008","19.4427","0.0011","96.987","0.001","91.863","0.001","114.797","0.001","2989.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 N4 O8 S10 Zn -","- C52 H50 N4 O8 S10 Zn -","- C104 H100 N8 O16 S20 Zn2 -","2","1","","Madhu, Vedichi; Das, Samar K.","Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions","Crystal Growth & Design","2014","14","5","2343","","10.1021/cg500039y","","","0.71073","MoKα","","0.1469","0.0689","","","0.1773","0.2064","","","","","","0.88","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4510477","10.6617","0.0003","24.3076","0.0007","15.0889","0.0003","90","","90.1235","0.0005","90","","3910.44","0.18","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2S,2'S)-1,1'-bis((3-phenylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C36 H39 F6 Mn N4 O6.5 S2 -","- C36 H39 F6 Mn N4 O6.5 S2 -","- C144 H156 F24 Mn4 N16 O26 S8 -","4","2","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.0464","0.0404","","","0.1048","0.108","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510478","9.6677","0.0002","15.7748","0.0004","11.2312","0.0003","90","","105.41","0.001","90","","1651.25","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2S,2'S)-1,1'-bis(isoquinolin-3-ylmethyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C30 H30 F6 Mn N4 O6 S2 -","- C30 H30 F6 Mn N4 O6 S2 -","- C60 H60 F12 Mn2 N8 O12 S4 -","2","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","1.54178","CuKα","","0.0216","0.0214","","","0.0561","0.0562","","","","","","1.056","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510479","17.4006","0.0007","17.4254","0.0008","11.0395","0.0005","90","","90","","90","","3347.3","0.3","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","(2S,2'S)-1,1'-bis((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C28 H38 F6 Mn N4 O8 S2 -","- C28 H38 F6 Mn N4 O8 S2 -","- C112 H152 F24 Mn4 N16 O32 S8 -","4","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.054","0.0529","","","0.1396","0.1407","","","","","","1.118","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510480","32.4626","0.0012","32.4626","0.0012","32.4626","0.0012","90","","90","","90","","34210","2","150","2","150","2","","","","","","","","7","I 2 3","I 2 2 3","197","","(2S,2'S)-1,1'-bis((4-amino-3,5-dimethylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C26 H36 F6 Mn N6 O6 S2 -","- C25.5 H32 F4.5 Mn N6 O5 S2 -","- C612 H768 F108 Mn24 N144 O120 S48 -","24","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.1646","0.1464","","","0.3904","0.4224","","","","","","2.157","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510481","8.6096","0.0002","19.9107","0.0005","11.0566","0.0003","90","","110.506","0.0008","90","","1775.26","0.08","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(2S,2'S)-1,1'-bis((4-dimethylamino-3,5-dimethylpyridin-2-yl)methyl)-2,2'-bipyrrolidine manganese(II) bis(trifluoromethanesulfonate)","","- C30 H44 F6 Mn N6 O6 S2 -","- C30 H44 F6 Mn N6 O6 S2 -","- C60 H88 F12 Mn2 N12 O12 S4 -","2","1","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly Enantioselective Bioinspired Epoxidation of Electron-Deficient Olefins with H2O2on Aminopyridine Mn Catalysts","ACS Catalysis","2014","4","5","1599","","10.1021/cs500333c","","x-ray","0.71073","MoKα","","0.0328","0.0314","","","0.0837","0.0847","","","","","","1.028","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510482","12.2184","0.0012","11.6715","0.0009","18.5188","0.0017","90","","94.867","0.008","90","","2631.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Blonanserinium nicotinate salt","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-Pyridine-3-carboxylic acid","","- C29 H35 F N4 O2 -","- C29 H35 F N4 O2 -","- C116 H140 F4 N16 O8 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.1672","0.0623","","","0.1008","0.1246","","","","","","0.872","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510483","6.7308","0.0008","10.5808","0.0013","34.376","0.004","90","","91.931","0.002","90","","2446.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Blonanserinium mesylate monohydrate","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-Methanesulfonic acid-monohydrate","","- C24 H36 F N3 O4 S -","- C24 H36 F N3 O4 S -","- C96 H144 F4 N12 O16 S4 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.0522","0.0423","","","0.097","0.1015","","","","","","1.044","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510484","12.6945","0.0009","13.7444","0.0009","14.4954","0.001","98.502","0.001","98.841","0.001","105.949","0.001","2354.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Blonanserinium mesylate salt","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-Methanesulfonic acid","","- C24 H34 F N3 O3 S -","- C24 H34 F N3 O3 S -","- C96 H136 F4 N12 O12 S4 -","4","2","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.0534","0.0464","","","0.1121","0.1171","","","","","","1.041","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510485","8.9999","0.0009","13.0762","0.0013","21.704","0.002","90","","90","","90","","2554.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Blonanserinium succinate salt","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-1,4-Butanedioic acid","","- C27 H36 F N3 O4 -","- C27 H36 F N3 O4 -","- C108 H144 F4 N12 O16 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.0367","0.0339","","","0.0762","0.0774","","","","","","1.032","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510486","6.3176","0.0009","36.767","0.005","11.658","0.0017","90","","99.549","0.002","90","","2670.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Blonanserinium tosylate salt","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-4-Methylbenzenesulfonic acid","","- C30 H38 F N3 O3 S -","- C30 H38 F N3 O3 S -","- C120 H152 F4 N12 O12 S4 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.064","0.06","","","0.1345","0.1368","","","","","","1.158","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510487","13.655","0.012","11.54","0.01","15.669","0.014","90","","103.515","0.013","90","","2401","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Blonanserin-suberic acid cocrystal","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-1,8-Octanedioic acid","","- C27 H37 F N3 O2 -","- C27 H37 F N3 O2 -","- C108 H148 F4 N12 O8 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.0634","0.043","","","0.096","0.1028","","","","","","0.988","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510488","6.592","0.0017","11.118","0.003","12.589","0.003","90","","118.869","0.011","90","","808","0.4","190","","190","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Negrier, P.; Barrio, M.; Romanini, M.; Tamarit, J. Ll.; Mondieig, D.; Krivchikov, A. I.; Kepinski, L.; Jezowski, A.; Szewczyk, D.","Polymorphism of 2-Adamantanone","Crystal Growth & Design","2014","14","5","2626","","10.1021/cg500313m","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510489","6.8884","0.0018","10.83","0.003","10.658","0.003","90","","90","","90","","795.1","0.4","190","","190","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","0.5","","Negrier, P.; Barrio, M.; Romanini, M.; Tamarit, J. Ll.; Mondieig, D.; Krivchikov, A. I.; Kepinski, L.; Jezowski, A.; Szewczyk, D.","Polymorphism of 2-Adamantanone","Crystal Growth & Design","2014","14","5","2626","","10.1021/cg500313m","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510490","10.473","0.0017","14.66","0.002","15.205","0.003","104.618","0.006","98.828","0.006","99.501","0.006","2180.9","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Cu2 N7 O16 Tb -","- C35 H38 Cu2 N7 O16 Tb -","- C70 H76 Cu4 N14 O32 Tb2 -","2","1","","Ghosh, Soumavo; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Linker Stoichiometry-Controlled Stepwise Supramolecular Growth of a Flexible Cu2Tb Single Molecule Magnet from Monomer to Dimer to One-Dimensional Chain","Crystal Growth & Design","2014","14","5","2588","","10.1021/cg500290m","","","0.71073","MoKα","","0.0582","0.0495","","","0.139","0.1507","","","","","","1.069","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510491","10.601","0.005","14.724","0.005","16.269","0.005","77.979","0.005","85.861","0.005","82.682","0.005","2460.8","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H92 Cu4 N16 O34 Tb2 -","- C80 H84 Cu4 N16 O34 Tb2 -","- C80 H84 Cu4 N16 O34 Tb2 -","1","0.5","","Ghosh, Soumavo; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Linker Stoichiometry-Controlled Stepwise Supramolecular Growth of a Flexible Cu2Tb Single Molecule Magnet from Monomer to Dimer to One-Dimensional Chain","Crystal Growth & Design","2014","14","5","2588","","10.1021/cg500290m","","","0.71073","MoKα","","0.0817","0.0694","","","0.1884","0.2095","","","","","","1.062","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510492","15.369","0.01","25.744","0.017","15.842","0.015","90","","112.697","0.007","90","","5783","8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H48 Cu2 N9 O16 Tb -","- C45 H44 Cu2 N9 O16 Tb -","- C180 H176 Cu8 N36 O64 Tb4 -","4","0.5","","Ghosh, Soumavo; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Linker Stoichiometry-Controlled Stepwise Supramolecular Growth of a Flexible Cu2Tb Single Molecule Magnet from Monomer to Dimer to One-Dimensional Chain","Crystal Growth & Design","2014","14","5","2588","","10.1021/cg500290m","","","0.71073","MoKα","","0.0974","0.0698","","","0.2025","0.234","","","","","","1.065","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510493","7.845","0.0009","12.8786","0.0015","13.0629","0.0016","64.44","0.003","88.745","0.004","81.227","0.004","1175.3","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 Cl4 Cu2 N14 O8 -","- C40 H54 Cl4 Cu2 N14 O8 -","- C40 H54 Cl4 Cu2 N14 O8 -","1","0.5","","Bhattacharya, Sudeshna; Sengupta, Satirtha; Bala, Sukhen; Goswami, Arijit; Ganguly, Sumi; Mondal, Raju","Pyrazole-Based Metallogels Showing an Unprecedented Colorimetric Ammonia Gas Sensing through Gel-to-Gel Transformation with a Rare Event of Time-Dependent Morphology Transformation","Crystal Growth & Design","2014","14","5","2366","","10.1021/cg5000827","","","0.71073","MoKα","","0.0639","0.0405","","","0.0833","0.0921","","","","","","1.051","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510494","6.1351","0.0006","6.3115","0.0006","9.1906","0.0009","95.537","0.002","96.302","0.002","116.231","0.002","313.07","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 Na2 O12 -","- C8 H14 Na2 O12 -","- C8 H14 Na2 O12 -","1","0.5","","Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.","Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers","Crystal Growth & Design","2014","14","5","2605","","10.1021/cg500307q","","","0.71073","MoKα","","0.0347","0.0314","","","0.08","0.082","","","","","","1.104","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510495","6.1285","0.0004","7.7676","0.0005","8.0964","0.0006","115.7","0.001","101.316","0.001","103.008","0.001","318.87","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 Na2 O12 -","- C8 H14 Na2 O12 -","- C8 H14 Na2 O12 -","1","0.5","","Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.","Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers","Crystal Growth & Design","2014","14","5","2605","","10.1021/cg500307q","","","0.71073","MoKα","","0.0294","0.0279","","","0.0754","0.0767","","","","","","1.069","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510496","6.2679","0.0005","15.3935","0.0011","6.3897","0.0005","90","","105.5","0.001","90","","594.09","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 K2 O10 -","- C8 H10 K2 O10 -","- C16 H20 K4 O20 -","2","0.5","","Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.","Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers","Crystal Growth & Design","2014","14","5","2605","","10.1021/cg500307q","","","0.71073","MoKα","","0.0274","0.026","","","0.0652","0.0664","","","","","","1.075","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510497","6.419","0.0005","7.9361","0.0006","8.911","0.0007","103.757","0.001","104.137","0.001","106.945","0.001","397.04","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H16 Ba2 O14 -","- C8 H16 Ba2 O14 -","- C8 H16 Ba2 O14 -","1","0.5","","Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.","Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers","Crystal Growth & Design","2014","14","5","2605","","10.1021/cg500307q","","","0.71073","MoKα","","0.0157","0.0156","","","0.043","0.0431","","","","","","1.08","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510498","18.1275","0.0012","13.5852","0.0009","9.9982","0.0007","90","","120.526","0.001","90","","2120.9","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 Na3 O19 -","- C16 H19 Na3 O19 -","- C64 H76 Na12 O76 -","4","0.5","","Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.","Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers","Crystal Growth & Design","2014","14","5","2605","","10.1021/cg500307q","","","0.71073","MoKα","","0.0412","0.0384","","","0.0975","0.0993","","","","","","1.122","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510499","8.1312","0.0002","25.5646","0.0011","8.135","0.0004","90","","117.704","0.002","90","","1497.17","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 O18 U -","- C24 H38 O18 U -","- C48 H76 O36 U2 -","2","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0449","0.0316","","","0.0739","0.0786","","","","","","1.055","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510500","20.6245","0.0007","16.1559","0.0003","16.2561","0.0006","90","","90","","90","","5416.7","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H27 N2 O8.75 U -","- C23 H27 N2 O8.75 U -","- C184 H216 N16 O70 U8 -","8","1","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.048","0.0319","","","0.0818","0.0874","","","","","","0.994","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510501","12.3287","0.0011","23.6161","0.0013","16.4473","0.0015","90","","105.034","0.004","90","","4624.8","0.6","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C34 H72 O29 U3 -","- C26 H39 O21 U3 -","- C104 H156 O84 U12 -","4","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0853","0.0716","","","0.2115","0.2189","","","","","","1.055","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510502","25.5369","0.0015","7.9206","0.0005","16.843","0.0006","90","","113.677","0.003","90","","3120","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H35 O16 Tb U -","- C24 H35 O16 Tb U -","- C96 H140 O64 Tb4 U4 -","4","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0348","0.0285","","","0.0764","0.0784","","","","","","1.021","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510503","25.4173","0.0009","15.8195","0.0003","28.8395","0.001","90","","110.241","0.0017","90","","10879.9","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H106 O59 U8 -","- C72 H90 O59 U8 -","- C288 H360 O236 U32 -","4","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0794","0.0458","","","0.1048","0.1134","","","","","","1.023","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510504","19.2648","0.0004","14.8909","0.0002","20.418","0.0004","90","","94.5172","0.0011","90","","5839.12","0.18","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H110 O61 U8 -","- C72 H102 O61 U8 -","- C144 H204 O122 U16 -","2","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0441","0.033","","","0.089","0.0918","","","","","","1.135","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510505","16.5835","0.0005","20.1557","0.0007","21.1177","0.0004","88.6196","0.0018","87.0438","0.0018","79.7935","0.0015","6936.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C202 H302 Cu2 N4 O133 U16 -","- C202 H292 Cu2 N4 O133 U16 -","- C202 H292 Cu2 N4 O133 U16 -","1","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0615","0.0378","","","0.0854","0.0913","","","","","","1.008","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510506","24.227","0.0009","24.227","0.0009","15.9191","0.0004","90","","90","","90","","9343.7","0.5","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C96 H170 Cu4 O89 U8 -","- C96 H120 Cu4 O89 U8 -","- C192 H240 Cu8 O178 U16 -","2","0.25","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0429","0.0394","","","0.1035","0.1056","","","","","","1.033","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510507","17.7344","0.0007","19.4751","0.0005","27.1156","0.0011","83.831","0.003","87.186","0.002","82.214","0.002","9219.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H166 Cu6 O89 U10 -","- C120 H150 Cu6 O89 U10 -","- C240 H300 Cu12 O178 U20 -","2","1","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0868","0.061","","","0.1742","0.1865","","","","","","1.015","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510508","11.1939","0.0013","11.8157","0.0016","12.0646","0.0017","110.959","0.013","106.648","0.011","104.205","0.011","1315.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N6 O4 S5 -","- C22 H24 N6 O4 S5 -","- C44 H48 N12 O8 S10 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0927","0.0601","","","0.1091","0.1279","","","","","","1.019","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510509","7.5147","0.0005","9.0185","0.0008","12.1146","0.0007","90.801","0.006","98.642","0.005","109.424","0.007","763.7","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 Cl N3 O5 S2 -","- C11 H14 Cl N3 O5 S2 -","- C22 H28 Cl2 N6 O10 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0792","0.0535","","","0.0998","0.1168","","","","","","1.01","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510510","14.6126","0.0004","7.3778","0.0002","15.9027","0.0004","90","","95.712","0.002","90","","1705.94","0.08","296","2","296","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H16 Cl N3 O6 S2 -","- C11 H16 Cl N3 O6 S2 -","- C44 H64 Cl4 N12 O24 S8 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0527","0.0418","","","0.0698","0.0747","","","","","","1.068","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510511","23.7103","0.0011","4.45641","0.00017","25.3321","0.0007","90","","95.947","0.003","90","","2662.26","0.18","296","2","296","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C11 H12 Br N3 S2 -","- C11 H12 Br N3 S2 -","- C88 H96 Br8 N24 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.054","0.0358","","","0.0733","0.0832","","","","","","1.02","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510512","8.941","0.003","10.074","0.003","13.822","0.004","92.594","0.018","95.21","0.02","105.985","0.017","1188.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C44 H44 N12 S8 -","4","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0822","0.048","","","0.1026","0.1116","","","","","","1.087","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510513","11.681","0.0019","8.5182","0.0019","30.608","0.006","90","","100.777","0.013","90","","2991.8","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 N3 O4 P S2 -","- C11 H14 N3 O4 P S2 -","- C88 H112 N24 O32 P8 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0812","0.0469","","","0.0764","0.0823","","","","","","1.012","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510514","10.551","0.003","10.6973","0.0019","13.648","0.003","108.804","0.009","96.519","0.011","91.481","0.008","1445.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N4 O3.5 S2 -","- C11 H13 N4 O3.5 S2 -","- C44 H52 N16 O14 S8 -","4","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0763","0.0459","","","0.071","0.0789","","","","","","1.053","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510515","7.0435","0.0005","9.4168","0.0009","12.3566","0.001","85.815","0.007","88.897","0.007","71.023","0.008","772.96","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N3 O5 S3 -","- C11 H15 N3 O5 S3 -","- C22 H30 N6 O10 S6 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0798","0.0604","","","0.1185","0.1327","","","","","","1.024","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510516","5.7601","0.0007","8.871","0.001","12.097","0.0014","103.779","0.006","96.286","0.006","95.705","0.006","591.67","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C22 H22 N6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.103","0.0513","","","0.1006","0.1176","","","","","","1.023","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510517","19.502","0.003","6.1168","0.0007","23.967","0.003","90","","105.989","0.016","90","","2748.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N4 O3 S2 -","- C11 H12 N4 O3 S2 -","- C88 H96 N32 O24 S16 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.164","0.0859","","","0.1294","0.1528","","","","","","1.213","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510518","11.3183","0.0004","5.7063","0.0002","20.5287","0.0006","90","","113.537","0.002","90","","1215.55","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C44 H44 N12 S8 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0439","0.0371","","","0.102","0.1066","","","","","","1.08","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510519","9.64","0.0006","15.4273","0.0009","19.176","0.0011","73.592","0.005","86.432","0.005","89.798","0.005","2730.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Cl N3 S2 -","- C11 H12 Cl N3 S2 -","- C88 H96 Cl8 N24 S16 -","8","4","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0712","0.0451","","","0.0734","0.0867","","","","","","0.995","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510520","8.6544","0.0009","9.2851","0.0009","10.0278","0.0012","65.682","0.005","75.992","0.005","64.045","0.004","658.36","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Cl N3 S2 -","- C11 H12 Cl N3 S2 -","- C22 H24 Cl2 N6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0405","0.033","","","0.0683","0.073","","","","","","1.079","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510521","14.3819","0.001","7.2911","0.0004","31.79","0.002","90","","94.778","0.006","90","","3321.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 Br N3 O3 S2 -","- C11 H18 Br N3 O3 S2 -","- C88 H144 Br8 N24 O24 S16 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.1564","0.0587","","","0.071","0.0974","","","","","","0.959","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510522","16.8654","0.001","6.1269","0.0003","24.5611","0.0014","90","","108.596","0.007","90","","2405.5","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C88 H88 N24 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.061","0.0375","","","0.0729","0.0796","","","","","","1.04","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510523","11.2755","0.0008","18.3129","0.0014","14.0015","0.001","90","","103.005","0.004","90","","2817","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N4 O3 S2 -","- C11 H12 N4 O3 S2 -","- C88 H96 N32 O24 S16 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.1479","0.0557","","","0.0676","0.0873","","","","","","0.986","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510524","9.579","0.0012","9.579","0.0012","12.11","0.002","90","","90","","90","","1111.2","0.3","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C9 H13 N O3 S Zn -","- C9 H13 N O3 S Zn -","- C36 H52 N4 O12 S4 Zn4 -","4","1","","Yao, Jia; Mo, Yong-Hui; Chen, Jia-Mei; Lu, Tong-Bu","New Approach to Reduce the Overhigh Plasma Concentration of Captopril by the Formation of Zinc Coordination Polymer","Crystal Growth & Design","2014","14","5","2599","","10.1021/cg500302h","","","1.54184","CuKα","","0.0691","0.0613","","","0.1511","0.1589","","","","","","1.017","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510525","5.2569","0.0003","9.7336","0.0008","26.8467","0.0016","90","","90","","90","","1373.71","0.16","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Cs2 Mo3 O12 Th -","- Cs2 Mo3 O12 Th -","- Cs8 Mo12 O48 Th4 -","4","0.5","","Xiao, Bin; Dellen, Jakob; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","Unexpected Structural Complexity in Cesium Thorium Molybdates","Crystal Growth & Design","2014","14","5","2677","","10.1021/cg500418e","","","0.71073","MoKα","","0.0949","0.0536","","","0.1072","0.1298","","","","","","1.104","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510526","12.6902","0.0006","6.6202","0.0003","11.4593","0.0007","90","","90.146","0.006","90","","962.71","0.09","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cs4 Mo4 O16 Th -","- Cs4 Mo4 O16 Th -","- Cs8 Mo8 O32 Th2 -","2","0.5","","Xiao, Bin; Dellen, Jakob; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","Unexpected Structural Complexity in Cesium Thorium Molybdates","Crystal Growth & Design","2014","14","5","2677","","10.1021/cg500418e","","","0.71073","MoKα","","0.0473","0.0321","","","0.0627","0.0688","","","","","","1.063","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510527","12.4439","0.0005","14.9301","0.0008","15.9617","0.0009","78.21","0.005","78.697","0.004","77.997","0.004","2802.7","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- Cs8 Mo28 O112 Th12 -","- Cs8 Mo28 O112 Th12 -","- Cs8 Mo28 O112 Th12 -","1","1","","Xiao, Bin; Dellen, Jakob; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","Unexpected Structural Complexity in Cesium Thorium Molybdates","Crystal Growth & Design","2014","14","5","2677","","10.1021/cg500418e","","","0.71073","MoKα","","0.0284","0.0243","","","0.0458","0.0473","","","","","","0.949","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510528","7.6428","0.0004","6.1654","0.0003","29.1997","0.0016","90","","91.079","0.002","90","","1375.67","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Pentafluorophenyl-5-phenyl-penta-1,4-dien-3-one","1-Pentafluorophenyl-5-phenyl-penta-1,4-dien-3-one","","- C17 H9 F5 O -","- C17 H9 F5 O -","- C68 H36 F20 O4 -","4","1","","Schwarzer, Anke; Weber, Edwin","Penta- and Decafluorinated Dibenzalacetones: Synthesis, Crystal Structure, and Cocrystallization Experiments","Crystal Growth & Design","2014","14","5","2335","","10.1021/cg5000342","","","0.71073","MoKα","","0.055","0.0428","","","0.1086","0.1175","","","","","","1.058","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510529","5.6259","0.0008","24.346","0.004","21.186","0.003","90","","90.348","0.005","90","","2901.8","0.8","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,5-Bis(2,3,4,5,6-pentafluorophenyl)penta-1,4-dien-3-one","1,5-Bis(2,3,4,5,6-pentafluorophenyl)penta-1,4-dien-3-one","","- C17 H4 F10 O -","- C17 H4 F10 O -","- C136 H32 F80 O8 -","8","2","","Schwarzer, Anke; Weber, Edwin","Penta- and Decafluorinated Dibenzalacetones: Synthesis, Crystal Structure, and Cocrystallization Experiments","Crystal Growth & Design","2014","14","5","2335","","10.1021/cg5000342","","","0.71073","MoKα","","0.0659","0.0472","","","0.1225","0.135","","","","","","1.113","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510530","7.4146","0.0012","11.1034","0.0017","17.304","0.003","86.917","0.008","79.945","0.007","74.085","0.008","1348.9","0.4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","1,5-Bis(2,3,4,5,6-pentafluorophenyl)penta-1,4-dien-3-one 1,5-Diphenyl-penta-1,4-dien-3-one","1,5-Bis(2,3,4,5,6-pentafluorophenyl)penta-1,4-dien-3-one 1,5-Diphenyl-penta-1,4-dien-3-one","","- C34 H18 F10 O2 -","- C34 H18 F10 O2 -","- C68 H36 F20 O4 -","2","1","","Schwarzer, Anke; Weber, Edwin","Penta- and Decafluorinated Dibenzalacetones: Synthesis, Crystal Structure, and Cocrystallization Experiments","Crystal Growth & Design","2014","14","5","2335","","10.1021/cg5000342","","","0.71073","MoKα","","0.1119","0.0701","","","0.1689","0.1926","","","","","","1.082","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510531","6.084","0.0001","10.2978","0.0003","16.1737","0.0005","100.93","0.001","92.6382","0.001","95.9415","0.0015","987.35","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Droperidol ethanol solvate","1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl] -1,3-dihydro-2H-benzimidazol-2-one","","- C46 H50 F2 N6 O5 -","- C46 H50 F2 N6 O5 -","- C46 H50 F2 N6 O5 -","1","0.5","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","","0.71069","MoKα","","0.0794","0.0511","","","0.1228","0.1381","","","","","","1.02","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510532","6.087","0.0002","10.2177","0.0003","16.2642","0.0006","101.205","0.0011","92.7447","0.001","96.7569","0.0019","982.78","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","Droperidol acetonitrile solvate","1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl] -1,3-dihydro-2H-benzimidazol-2-one","","- C23 H23.5 F N3.5 O2 -","- C23 H23.5 F N3.5 O2 -","- C46 H47 F2 N7 O4 -","2","2","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","","0.71069","MoKα","","0.0915","0.0526","","","0.11","0.1285","","","","","","1.012","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510533","6.0504","0.0005","10.2207","0.0008","16.11","0.0014","101.397","0.002","93.445","0.003","97.022","0.002","965.62","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","droperidol methanol hemisolvate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one methanol hemisolvate","","- C22.5 H24 F N3 O2.5 -","- C22.5 H24 F N3 O2.5 -","- C45 H48 F2 N6 O5 -","2","1","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","x-ray","0.71073","MoKα","","0.0993","0.0534","","","0.1237","0.1512","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510534","6.3199","0.0004","10.1525","0.0007","15.7463","0.0011","102.691","0.002","91.775","0.002","100.403","0.002","966.81","0.11","120","","120","","","","","","","","","5","P -1","-P 1","2","droperidol monohydrate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one monohydrate","","- C22 H24 F N3 O3 -","- C22 H24 F N3 O3 -","- C44 H48 F2 N6 O6 -","2","1","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","x-ray","0.71073","MoKα","","0.0852","0.06","","","0.1539","0.1721","","","","","","1.073","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510535","6.2743","0.0003","10.156","0.0006","15.7786","0.0009","102.253","0.002","92.501","0.002","99.46","0.002","965.95","0.09","120","","120","","","","","","","","","5","P -1","-P 1","2","droperidol hemihydrate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one hemihydrate","","- C22 H23 F N3 O2.5 -","- C22 H23 F N3 O2.5 -","- C44 H46 F2 N6 O5 -","2","1","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","x-ray","0.71073","MoKα","","0.0916","0.0556","","","0.1361","0.1635","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510536","6.0673","0.0001","10.1884","0.0003","16.4237","0.0005","99.8303","0.0013","92.288","0.0012","95.6243","0.0018","993.86","0.05","173","2","173","2","","","","","","","","5","P 1","P 1","1","Droperidol nitromethane solvate","1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl] -1,3-dihydro-2H-benzimidazol-2-one","","- C22.5 H23.5 F N3.5 O3 -","- C22.5 H23.5 F N3.5 O3 -","- C45 H47 F2 N7 O6 -","2","2","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","","0.71069","MoKα","","0.0911","0.0546","","","0.1165","0.1346","","","","","","1.023","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510537","6.278","0.0003","10.0865","0.0004","16.3969","0.0007","103.098","0.001","92.855","0.001","99.419","0.001","993.57","0.08","333","1","333","","","","","","","","","5","P -1","-P 1","2","droperidol","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one","","- C22 H22 F N3 O2 -","- C22 H22 F N3 O2 -","- C44 H44 F2 N6 O4 -","2","1","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","x-ray","0.71073","MoKα","","0.0955","0.0486","","","0.1209","0.1558","","","","","","1.02","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510538","26.0229","0.0003","26.0229","0.0003","11.2044","0.0002","90","","90","","120","","6570.99","0.16","90","","90","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H14 Cl N3 O3 -","- C13 H14 Cl N3 O3 -","- C234 H252 Cl18 N54 O54 -","18","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0287","0.0287","","","0.0314","0.0314","","","","","","1.562","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510539","6.4717","0.0005","7.9214","0.0007","8.6745","0.0007","72.412","0.008","86.116","0.007","69.625","0.008","397.04","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C14 H18 N6 O4 -","2","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0265","0.0265","","","0.0281","0.0281","","","","","","1.221","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510540","15.191","0.001","6.8256","0.0005","12.2154","0.0009","90","","98.478","0.006","90","","1252.75","0.16","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N4 O2 -","- C13 H14 N4 O2 -","- C52 H56 N16 O8 -","4","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0296","0.0296","","","0.0336","0.0336","","","","","","1.565","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510541","7.018","0.0002","11.8624","0.0004","31.332","0.001","90","","90","","90","","2608.4","0.14","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H12 Cl N3 O2 -","- C13 H12 Cl N3 O2 -","- C104 H96 Cl8 N24 O16 -","8","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0317","0.0317","","","0.0384","0.0384","","","","","","1.828","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510542","5.3682","0.0002","8.0654","0.0002","18.5394","0.0005","90","","92.938","0.003","90","","801.64","0.04","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N3 O -","- C8 H9 N3 O -","- C32 H36 N12 O4 -","4","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0276","0.0276","","","0.03","0.03","","","","","","1.573","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510543","12.497","0.004","5.8221","0.0009","16.191","0.002","90","","99.42","0.02","90","","1162.2","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N4 O -","- C13 H12 N4 O -","- C52 H48 N16 O4 -","4","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0469","0.0469","","","0.0523","0.0523","","","","","","1.814","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510544","6.978","0.001","11.921","0.002","29.198","0.006","90","","90","","90","","2428.8","0.7","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C104 H104 N24 O16 -","8","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","MoKα","","0.0248","0.0248","","","0.0305","0.0305","","","","","","1.36","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510545","9.5229","0.0009","4.6958","0.0005","16.17","0.002","90","","95.509","0.009","90","","719.74","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O -","- C7 H7 N3 O -","- C28 H28 N12 O4 -","4","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0314","0.0314","","","0.036","0.036","","","","","","1.574","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510546","7.3941","0.0015","15.28","0.003","23.345","0.005","90","","106.3","0.03","90","","2531.5","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 Cl0 Mn3 N32 O4 W2 -","- C40 H24 Mn3 N32 O4 W2 -","- C80 H48 Mn6 N64 O8 W4 -","2","0.5","","Qian, Jun; Hu, Jingchun; Yoshikawa, Hirofumi; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","A Three-Dimensional Hetero-Bimetallic Coordination Polymer with Unusual (4,5)-Connected Topology and Ferrimagnetic Property Based on Octacyanotungstate and Polydentate Ligand","Crystal Growth & Design","2014","14","5","2288","","10.1021/cg4019053","","","0.71073","MoKα","","0.0486","0.0434","","","0.0882","0.0907","","","","","","1.16","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510547","13.637","0.002","14.171","0.002","17.781","0.003","91.749","0.003","93.012","0.002","111.296","0.002","3192.6","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H60 Cl8 Hg2 N4 S10 -","- C50 H58 Cl4 Hg2 N4 S10 -","- C100 H116 Cl8 Hg4 N8 S20 -","2","1","","Guzmán-Percástegui, Edmundo; Zakharov, Lev N.; Alvarado-Rodríguez, José G.; Carnes, Matthew E.; Johnson, Darren W.","Synthesis of a Self-Assembled Hg(II)-Dithiocarbamate Metallomacrocycle","Crystal Growth & Design","2014","14","5","2087","","10.1021/cg401894h","","","0.71073","MoKα","","0.0752","0.0497","","","0.1074","0.1165","","","","","","0.993","","","","has coordinates,has disorder","179652","2020-10-21","18:00:00",""
"4510548","20.2423","0.0035","11.6","0.0017","3.50909","0.00067","90","","104.707","0.02","90","","797","0.2","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","Agnpz","Trimeric silver(I) 4-nitropyrazolate","","- C9 H6 Ag3 N9 O6 -","- C9 H6 Ag3 N9 O6 -","- C18 H12 Ag6 N18 O12 -","2","0.5","","Bertolotti, Federica; Maspero, Angelo; Cervellino, Antonio; Guagliardi, Antonietta; Masciocchi, Norberto","Bending by Faulting: A Multiple Scale Study of Copper and Silver Nitropyrazolates","Crystal Growth & Design","2014","14","6","2913","","10.1021/cg500108g","powder diffraction","","0.775276","synchrotron","","","","","","","","","","14.9","","","","","","","has coordinates","209041","2020-10-21","18:00:00",""
"4510549","19.8406","0.0049","11.4434","0.0018","3.53756","0.00099","90","","104.545","0.029","90","","777.4","0.3","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","Cunpz","Trimeric copper(I) 4-nitropyrazolate","","- C9 H6 Cu3 N9 O6 -","- C9 H6 Cu3 N9 O6 -","- C18 H12 Cu6 N18 O12 -","2","0.5","","Bertolotti, Federica; Maspero, Angelo; Cervellino, Antonio; Guagliardi, Antonietta; Masciocchi, Norberto","Bending by Faulting: A Multiple Scale Study of Copper and Silver Nitropyrazolates","Crystal Growth & Design","2014","14","6","2913","","10.1021/cg500108g","powder diffraction","","0.775276","synchrotron","","","","","","","","","","","","","","","","","has coordinates","209041","2020-10-21","18:00:00",""
"4510550","10.5804","0.0012","15.7399","0.0018","9.0114","0.0011","90","","97.649","0.011","90","","1487.4","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-bis(salicylidene)carbohydrazide","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C60 H56 N16 O12 -","4","1","","Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag","Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity","Crystal Growth & Design","2014","14","6","2900","","10.1021/cg500203k","","","0.71073","MoKα","","0.067","0.0416","","","0.1021","0.1104","","","","","","1.042","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510551","14.5908","0.0006","9.3764","0.0004","10.3283","0.0003","90","","90","","90","","1413.01","0.09","295","2","295","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","1,5-bis(salicylidene)carbohydrazide","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C60 H56 N16 O12 -","4","","","Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag","Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity","Crystal Growth & Design","2014","14","6","2900","","10.1021/cg500203k","","","0.71073","MoKα","","0.0502","0.0368","","","0.0855","0.091","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510552","9.4272","0.0014","10.389","0.0015","14.37","0.003","90","","102.477","0.002","90","","1374.1","0.4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-bis(salicylidene)carbohydrazide","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C60 H56 N16 O12 -","4","0.5","","Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag","Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity","Crystal Growth & Design","2014","14","6","2900","","10.1021/cg500203k","","","0.71073","MoKα","","0.1692","0.0738","","","0.1438","0.176","","","","","","0.862","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510553","4.5443","0.0005","12.2026","0.0015","27.359","0.004","90","","90","","90","","1517.1","0.3","295","2","295","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","1,5-bis(salicylidene)carbohydrazide monohydrate","","- C15 H16 N4 O4 -","- C15 H16 N4 O4 -","- C60 H64 N16 O16 -","4","0.5","","Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag","Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity","Crystal Growth & Design","2014","14","6","2900","","10.1021/cg500203k","","","0.71073","MoKα","","0.091","0.0514","","","0.1136","0.1292","","","","","","1.081","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510554","13.933","0.003","18.143","0.004","17.787","0.004","90","","103.01","0.03","90","","4380.9","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cd3 O18 -","- C42 H22 Cd3 O18 -","- C168 H88 Cd12 O72 -","4","1","","Liu, Lu; Ding, Jie; Huang, Chao; Li, Ming; Hou, Hongwei; Fan, Yaoting","Polynuclear CdIIPolymers: Crystal Structures, Topologies, and the Photodegradation for Organic Dye Contaminants","Crystal Growth & Design","2014","14","6","3035","","10.1021/cg500295r","","","0.71073","MoKα","","0.1003","0.085","","","0.1782","0.1888","","","","","","1.143","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510555","13.968","0.003","14.611","0.003","20.566","0.004","75.25","0.03","85.51","0.03","69","0.03","3788.9","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H57 Cd3 N4 O16.5 -","- C64 H48 Cd3 N4 O16 -","- C128 H96 Cd6 N8 O32 -","2","1","","Liu, Lu; Ding, Jie; Huang, Chao; Li, Ming; Hou, Hongwei; Fan, Yaoting","Polynuclear CdIIPolymers: Crystal Structures, Topologies, and the Photodegradation for Organic Dye Contaminants","Crystal Growth & Design","2014","14","6","3035","","10.1021/cg500295r","","","0.71073","MoKα","","0.109","0.0692","","","0.1765","0.201","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510556","12.072","0.002","14.124","0.003","14.338","0.003","104.16","0.03","104.51","0.03","114.4","0.03","1980.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H61 Cd3 N6 O17.5 S2 -","- C74 H42 Cd3 N6 O16.5 S2 -","- C74 H42 Cd3 N6 O16.5 S2 -","1","0.5","","Liu, Lu; Ding, Jie; Huang, Chao; Li, Ming; Hou, Hongwei; Fan, Yaoting","Polynuclear CdIIPolymers: Crystal Structures, Topologies, and the Photodegradation for Organic Dye Contaminants","Crystal Growth & Design","2014","14","6","3035","","10.1021/cg500295r","","","0.71073","MoKα","","0.0701","0.0622","","","0.1905","0.1994","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510557","9.3011","0.0019","13.991","0.003","19.562","0.004","95.54","0.03","99.9","0.03","103.17","0.03","2417.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H78 Cd6 N4 O33 -","- C104 H60 Cd6 N4 O33 -","- C104 H60 Cd6 N4 O33 -","1","0.5","","Liu, Lu; Ding, Jie; Huang, Chao; Li, Ming; Hou, Hongwei; Fan, Yaoting","Polynuclear CdIIPolymers: Crystal Structures, Topologies, and the Photodegradation for Organic Dye Contaminants","Crystal Growth & Design","2014","14","6","3035","","10.1021/cg500295r","","","0.71073","MoKα","","0.0493","0.0368","","","0.0958","0.1044","","","","","","1.011","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510558","12.8225","0.0008","13.3153","0.0007","13.7615","0.0009","65.496","0.006","64.074","0.007","61.25","0.006","1789.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 N4 O20 P4 -","- C24 H44 N4 O20 P4 -","- C48 H88 N8 O40 P8 -","2","1","","Hoque, Md. Najbul; Das, Gopal","Cationic Tripodal Receptor Assisted Formation of Anion and Anion‒Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate‒Water Tetramer [(SO4)2‒(H2O)2]4‒","Crystal Growth & Design","2014","14","6","2962","","10.1021/cg500242u","","","0.71073","MoKα","","0.0705","0.0545","","","0.1604","0.1864","","","","","","0.787","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510559","12.8725","0.0014","12.8725","0.0014","13.6616","0.0019","90","","90","","120","","1960.5","0.4","298","2","298","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H80 Cl9 N8 Na O50 -","- C48 H80 Cl9 N8 Na O50 -","- C48 H80 Cl9 N8 Na O50 -","1","0.166667","","Hoque, Md. Najbul; Das, Gopal","Cationic Tripodal Receptor Assisted Formation of Anion and Anion‒Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate‒Water Tetramer [(SO4)2‒(H2O)2]4‒","Crystal Growth & Design","2014","14","6","2962","","10.1021/cg500242u","","","0.71073","MoKα","","0.1434","0.1043","","","0.3177","0.3762","","","","","","1.207","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510560","10.5903","0.0003","12.1999","0.0004","12.693","0.0004","92.034","0.002","107.203","0.002","110.886","0.002","1445.28","0.08","298","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 N4 O12 S2 -","- C24 H36 N4 O12 S2 -","- C48 H72 N8 O24 S4 -","2","1","","Hoque, Md. Najbul; Das, Gopal","Cationic Tripodal Receptor Assisted Formation of Anion and Anion‒Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate‒Water Tetramer [(SO4)2‒(H2O)2]4‒","Crystal Growth & Design","2014","14","6","2962","","10.1021/cg500242u","","","0.71073","MoKα","","0.075","0.0667","","","0.1885","0.1983","","","","","","1.042","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510561","12.365","0.003","12.677","0.002","12.679","0.002","72.785","0.016","62.375","0.019","65.503","0.019","1589.1","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 N4 O15 S3 -","- C24 H36 N4 O15 S3 -","- C48 H72 N8 O30 S6 -","2","1","","Hoque, Md. Najbul; Das, Gopal","Cationic Tripodal Receptor Assisted Formation of Anion and Anion‒Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate‒Water Tetramer [(SO4)2‒(H2O)2]4‒","Crystal Growth & Design","2014","14","6","2962","","10.1021/cg500242u","","","0.71073","MoKα","","0.0809","0.0562","","","0.1712","0.206","","","","","","0.762","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510562","11.7044","0.0004","12.3409","0.0004","12.4485","0.0004","65.908","0.002","85.936","0.002","84.8","0.002","1633.58","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 N8 O16 -","- C24 H36 N8 O16 -","- C48 H72 N16 O32 -","2","1","","Hoque, Md. Najbul; Das, Gopal","Cationic Tripodal Receptor Assisted Formation of Anion and Anion‒Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate‒Water Tetramer [(SO4)2‒(H2O)2]4‒","Crystal Growth & Design","2014","14","6","2962","","10.1021/cg500242u","","","0.71073","MoKα","","0.091","0.0634","","","0.1872","0.2096","","","","","","1.161","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510563","20.2889","0.0008","16.9602","0.0007","8.5506","0.0004","90","","90","","90","","2942.3","0.2","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Hexaphenyldisilane","Hexaphenyldisilane","","- C36 H30 Si2 -","- C36 H30 Si2 -","- C144 H120 Si8 -","4","1","","Bernert, Thomas; Winkler, Björn; Krysiak, Yasar; Fink, Lothar; Berger, Matthias; Alig, Edith; Bayarjargal, Lkhamsuren; Milman, Victor; Ehm, Lars; Stephens, Peter W.; Auner, Norbert; Lerner, Hans-Wolfram","Determination of the Crystal Structure of Hexaphenyldisilane from Powder Diffraction Data and Its Thermodynamic Properties","Crystal Growth & Design","2014","14","6","2937","","10.1021/cg5002286","powder diffraction","","0.7","synchrotron","","","","","","","","","1.505","2.233","","","","","","","has coordinates","193997","2020-10-21","18:00:00",""
"4510564","12.208","0.003","17.737","0.004","24.861","0.005","90","","115.658","0.009","90","","4852.4","1.9","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H86 Ge2 Mn2 N30 O80 Sn2 W18 -","- C16 H68 Ge2 Mn2 N30 O80 Sn2 W18 -","- C32 H136 Ge4 Mn4 N60 O160 Sn4 W36 -","2","0.5","","Sang, Xiaojing; Li, Jiansheng; Zhang, Lancui; Wang, Zanjiao; Chen, Weilin; Zhu, Zaiming; Su, Zhongmin; Wang, Enbo","A Novel Carboxyethyltin Functionalized Sandwich-type Germanotungstate: Synthesis, Crystal Structure, Photosensitivity, and Application in Dye-Sensitized Solar Cells.","ACS applied materials & interfaces","2014","6","10","7876","7884","10.1021/am501192f","","","0.71073","MoKα","","0.1199","0.0574","","","0.1125","0.141","","","","","","0.986","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510565","9.077","0.007","12.808","0.01","7.145","0.004","90","","90","","90","","830.7","1","300","2","300","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-nitro-thiobenzamide","","","- C7 H6 N2 O2 S -","- C7 H6 N2 O2 S -","- C28 H24 N8 O8 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.045","0.0412","","","0.1075","0.1116","","","","","","1.08","","","","has coordinates","191062","2020-10-21","18:00:00",""
"4510566","8.394","0.002","11.176","0.003","18.168","0.005","90","","90","","90","","1704.4","0.8","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3-methoxy-thiobenzamide","","","- C8 H9 N O S -","- C8 H9 N O S -","- C64 H72 N8 O8 S8 -","8","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0723","0.0448","","","0.1058","0.1194","","","","","","1.036","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510567","19.121","0.005","10.546","0.002","7.6632","0.0018","90","","100.382","0.006","90","","1520","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chlorothiobenzamide","","","- C7 H6 Cl N S -","- C7 H6 Cl N S -","- C56 H48 Cl8 N8 S8 -","8","2","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0828","0.0615","","","0.1677","0.1792","","","","","","1.131","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510568","3.8217","0.0017","10.562","0.005","15.907","0.007","90","","93.636","0.009","90","","640.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N2 S -","- C6 H6 N2 S -","- C24 H24 N8 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0368","0.0313","","","0.0797","0.084","","","","","","1.052","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510569","9.2213","0.0011","15.1707","0.0017","23.499","0.003","90","","92.263","0.003","90","","3284.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-chloro-thiobenzamide","","","- C7 H6 Cl N S -","- C7 H6 Cl N S -","- C112 H96 Cl16 N16 S16 -","16","4","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0926","0.0428","","","0.0871","0.1069","","","","","","1.003","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510570","11.531","0.002","20.333","0.005","14.477","0.003","90","","107.127","0.007","90","","3243.8","1.2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-nitro-thiobenzamide","","","- C7 H6 N2 O2 S -","- C7 H6 N2 O2 S -","- C112 H96 N32 O32 S16 -","16","4","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0624","0.0391","","","0.0927","0.1067","","","","","","1.031","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510571","3.9782","0.0002","12.3361","0.0006","16.5248","0.0009","86.113","0.002","87.119","0.002","82.639","0.002","801.72","0.07","300","2","300","2","","","","","","","","5","P -1","-P 1","2","4-nitro-thiobenzamide","","","- C7 H6 N2 O2 S -","- C7 H6 N2 O2 S -","- C28 H24 N8 O8 S4 -","4","2","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0547","0.0364","","","0.0848","0.0907","","","","","","1.366","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510572","5.8027","0.0016","7.421","0.003","15.595","0.006","90","","94.027","0.011","90","","669.9","0.4","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N2 S -","- C6 H6 N2 S -","- C24 H24 N8 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0792","0.0405","","","0.0938","0.107","","","","","","1.028","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510573","5.9388","0.0016","18.04","0.004","14.087","0.004","90","","100.07","0.009","90","","1486","0.7","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 F N S -","- C7 H6 F N S -","- C56 H48 F8 N8 S8 -","8","2","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0687","0.0497","","","0.1171","0.1291","","","","","","1.045","","","","has coordinates,has disorder","179652","2020-10-21","18:00:00",""
"4510574","3.9306","0.0005","31.84","0.004","10.9924","0.0014","90","","90.381","0.002","90","","1375.7","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 F N S -","- C7 H6 F N S -","- C56 H48 F8 N8 S8 -","8","4","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.113","0.0787","","","0.1825","0.2054","","","","","","1.021","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510575","4.0185","0.0008","10.95","0.002","16.068","0.003","94.801","0.005","94.631","0.003","90.063","0.004","702.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","4-fluoro-thiobenzamide","","","- C7 H6 F N S -","- C7 H6 F N S -","- C28 H24 F4 N4 S4 -","4","2","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.06","0.0427","","","0.1054","0.1156","","","","","","1.057","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510576","5.8629","0.0005","10.1168","0.001","14.1318","0.0015","90","","96.302","0.003","90","","833.15","0.14","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-methoxy-thiobenzamide","","","- C8 H9 N O S -","- C8 H9 N O S -","- C32 H36 N4 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0669","0.0419","","","0.1049","0.1175","","","","","","1.049","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510577","4.042","0.0008","5.6966","0.0012","16.617","0.003","91.143","0.005","95.903","0.005","92.81","0.005","380.01","0.13","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 Cl N S -","- C7 H6 Cl N S -","- C14 H12 Cl2 N2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0529","0.0389","","","0.1032","0.1112","","","","","","1.182","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510578","7.2614","0.0011","11.0313","0.0018","9.6234","0.0015","90","","95.413","0.003","90","","767.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-methyl-thiobenzamide","","","- C8 H9 N S -","- C8 H9 N S -","- C32 H36 N4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0302","0.0272","","","0.0725","0.075","","","","","","1.052","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510579","7.8201","0.0013","8.1694","0.0014","10.2669","0.0018","106.698","0.002","103.2","0.002","90.842","0.002","609.38","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 N O10 U -","- C8 H7 N O10 U -","- C16 H14 N2 O20 U2 -","2","1","","Cantos, Paula M.; Cahill, Christopher L.","A Family of UO22±-5-Nitro-1,3-dicarboxylate Hybrid Materials: Structural Variation As a Function of pH and Structure Directing Species","Crystal Growth & Design","2014","14","6","3044","","10.1021/cg500304d","","x-ray","0.71073","MoKα","","0.0244","0.0233","","","0.0565","0.0571","","","","","","1.035","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510580","9.5699","0.0003","11.0566","0.0004","14.7236","0.0005","94.826","0.001","95.469","0.001","112.878","0.001","1416.3","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 N6 O32 U3 -","- C44 H42 N6 O32 U3 -","- C44 H42 N6 O32 U3 -","1","0.5","","Cantos, Paula M.; Cahill, Christopher L.","A Family of UO22±-5-Nitro-1,3-dicarboxylate Hybrid Materials: Structural Variation As a Function of pH and Structure Directing Species","Crystal Growth & Design","2014","14","6","3044","","10.1021/cg500304d","","x-ray","0.71073","MoKα","","0.0526","0.0343","","","0.0647","0.0711","","","","","","1.028","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510581","10.6646","0.0011","11.0897","0.0011","14.724","0.002","106.806","0.002","95.727","0.002","113.001","0.001","1489.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N3 O18 U2 -","- C22 H24 N3 O18 U2 -","- C44 H48 N6 O36 U4 -","2","1","","Cantos, Paula M.; Cahill, Christopher L.","A Family of UO22±-5-Nitro-1,3-dicarboxylate Hybrid Materials: Structural Variation As a Function of pH and Structure Directing Species","Crystal Growth & Design","2014","14","6","3044","","10.1021/cg500304d","","x-ray","0.71073","MoKα","","0.0294","0.023","","","0.0501","0.0524","","","","","","1.034","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510582","11.8861","0.0003","20.3996","0.0006","9.7156","0.0003","90","","99.59","","90","","2322.84","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O14 U -","- C19 H15 N3 O14 U -","- C76 H60 N12 O56 U4 -","4","1","","Cantos, Paula M.; Cahill, Christopher L.","A Family of UO22±-5-Nitro-1,3-dicarboxylate Hybrid Materials: Structural Variation As a Function of pH and Structure Directing Species","Crystal Growth & Design","2014","14","6","3044","","10.1021/cg500304d","","x-ray","0.71073","MoKα","","0.0547","0.0349","","","0.0709","0.0779","","","","","","1.025","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510583","18.446","0.005","21.371","0.005","25.362","0.005","69.974","0.005","83.293","0.005","64.7","0.005","8487","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C135 H181 Cl9 Co9 N36 O9 P3 -","- C135 H181 Cl9 Co9 N36 O9 P3 -","- C270 H362 Cl18 Co18 N72 O18 P6 -","2","1","","Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Chandrasekhar, Vadapalli","A 30-Membered Nonanuclear Cobalt(II) Macrocycle Containing Phosphonate-Bridged Trinuclear Subunits","Crystal Growth & Design","2014","14","6","2725","","10.1021/cg5003594","","","0.71069","MoKα","","0.1151","0.1038","","","0.3158","0.3387","","","","","","1.137","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510584","7.749","0.016","6.056","0.012","10.71","0.02","90","","107.694","0.017","90","","478.8","1.6","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27.4 H23 N0.6 -","- C27.4 H23 N0.6 -","- C27.4 H23 N0.6 -","1","0.5","","Kupka, A.; Schauerte, C.; Merz, K.","Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine","Crystal Growth & Design","2014","14","6","2985","","10.1021/cg5002623","","","0.71073","MoKα","","0.0696","0.0503","","","0.1035","0.1149","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510585","7.749","0.016","6.056","0.012","10.71","0.02","90","","107.694","0.017","90","","478.8","1.6","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H23 N -","- C27 H23 N -","- C27 H23 N -","1","0.5","","Kupka, A.; Schauerte, C.; Merz, K.","Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine","Crystal Growth & Design","2014","14","6","2985","","10.1021/cg5002623","","","0.71073","MoKα","","0.0725","0.0534","","","0.1136","0.1255","","","","","","1.033","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510586","7.897","0.004","5.861","0.002","10.737","0.005","90","","108.062","0.019","90","","472.5","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H11 N -","- C13 H11 N -","- C26 H22 N2 -","2","1","","Kupka, A.; Schauerte, C.; Merz, K.","Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine","Crystal Growth & Design","2014","14","6","2985","","10.1021/cg5002623","","","0.71073","MoKα","","0.0524","0.0485","","","0.1038","0.1075","","","","","","1.021","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510587","36.479","0.001","36.479","0.001","36.479","0.001","90","","90","","90","","48543","2","173","2","173","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C10 H2 Cu O5 S2 -","- C10 H2 Cu O5 S2 -","- C480 H96 Cu48 O240 S96 -","48","0.25","","Huang, Yumei; Zhang, Bingguang; Duan, Jingui; Liu, Wenlong; Zheng, Xiaofang; Wen, Lili; Ke, Xiaohuan; Li, Dongfeng","Two Copper(II) Metal‒Organic Frameworks with Nanoporous Channels and Vacant Coordination Sites","Crystal Growth & Design","2014","14","6","2866","","10.1021/cg500175k","","","0.71073","MoKα","","0.1442","0.095","","","0.2289","0.251","","","","","","1.035","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510588","20.4434","0.0014","20.4434","0.0014","20.4434","0.0014","90","","90","","90","","8544","1","173","2","173","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C40 H8 Cl Cu4 O16 S8 -","- C40 H8 Cl Cu4 O16 S8 -","- C120 H24 Cl3 Cu12 O48 S24 -","3","0.0625","","Huang, Yumei; Zhang, Bingguang; Duan, Jingui; Liu, Wenlong; Zheng, Xiaofang; Wen, Lili; Ke, Xiaohuan; Li, Dongfeng","Two Copper(II) Metal‒Organic Frameworks with Nanoporous Channels and Vacant Coordination Sites","Crystal Growth & Design","2014","14","6","2866","","10.1021/cg500175k","","","0.71073","MoKα","","0.0244","0.0221","","","0.0605","0.061","","","","","","1.083","","","","has coordinates,has disorder","179652","2020-10-21","18:00:00",""
"4510589","10.385","0.005","32.06","0.005","31.248","0.005","90","","96.776","0.005","90","","10331","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 Ag3 Mo12 N14 O40 P -","- C18 H10 Ag3 Mo12 N14 O40 P -","- C144 H80 Ag24 Mo96 N112 O320 P8 -","8","1","","Li, Meng-Ting; Sha, Jing-Quan; Zong, Xi-Ming; Sun, Jing-Wen; Yan, Peng-Fei; Li, Liang; Yang, Xiao-Ning","Assembly of Polyoxometalate-Based Hybrids with Different Helical Channels upon Subtle Ligand Variation","Crystal Growth & Design","2014","14","6","2794","","10.1021/cg500045q","","","0.71069","MoKα","","0.0314","0.0245","","","0.0513","0.0537","","","","","","1.056","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510590","11.83","0.005","12.709","0.005","14.789","0.005","105.033","0.005","99.809","0.005","115.518","0.005","1833.6","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Ag6 Co N28 O42 W12 -","- C36 H26 Ag6 Co N28 O42 W12 -","- C36 H26 Ag6 Co N28 O42 W12 -","1","0.5","","Li, Meng-Ting; Sha, Jing-Quan; Zong, Xi-Ming; Sun, Jing-Wen; Yan, Peng-Fei; Li, Liang; Yang, Xiao-Ning","Assembly of Polyoxometalate-Based Hybrids with Different Helical Channels upon Subtle Ligand Variation","Crystal Growth & Design","2014","14","6","2794","","10.1021/cg500045q","","","0.71069","MoKα","","0.1811","0.1022","","","0.2434","0.2915","","","","","","1.038","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510591","12.387","0.005","13.14","0.005","14.969","0.005","104.87","0.005","99.856","0.005","116.097","0.005","1998.3","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H20 Ag7 Ge N28 O47 W12 -","- C36 H20 Ag7 Ge N28 O47 W12 -","- C36 H20 Ag7 Ge N28 O47 W12 -","1","0.5","","Li, Meng-Ting; Sha, Jing-Quan; Zong, Xi-Ming; Sun, Jing-Wen; Yan, Peng-Fei; Li, Liang; Yang, Xiao-Ning","Assembly of Polyoxometalate-Based Hybrids with Different Helical Channels upon Subtle Ligand Variation","Crystal Growth & Design","2014","14","6","2794","","10.1021/cg500045q","","","0.71069","MoKα","","0.0801","0.0713","","","0.141","0.1451","","","","","","1.203","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510592","13.473","0.0011","13.2684","0.0008","11.2407","0.0008","90","","111.707","0.009","90","","1867","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lornoxicam Mesylate salt","(3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-ol-1,1-dioxide) Mesylate","","- C14 H14 Cl N3 O7 S3 -","- C14 H14 Cl N3 O7 S3 -","- C56 H56 Cl4 N12 O28 S12 -","4","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.112","0.0507","","","0.0644","0.0828","","","","","","0.907","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510593","7.5577","0.0007","10.3747","0.0009","12.0879","0.0012","68.516","0.009","75.433","0.008","70.585","0.008","822.65","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Lornoxicam Ammonium salt","Ammonium (3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-one 1,1-dioxide)","","- C13 H13 Cl N4 O4 S2 -","- C13 H13 Cl N4 O4 S2 -","- C26 H26 Cl2 N8 O8 S4 -","2","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.1309","0.0692","","","0.1318","0.1513","","","","","","0.972","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510594","13.2445","0.0009","13.0698","0.0007","11.6414","0.0008","90","","111.547","0.008","90","","1874.3","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lornoxicam Piperazine salt","Piperazinium (3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-one 1,1-dioxide)","","- C15 H16 Cl N4 O4 S2 -","- C15 H15 Cl N4 O4 S2 -","- C60 H60 Cl4 N16 O16 S8 -","4","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.0758","0.0406","","","0.0901","0.0984","","","","","","0.905","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510595","7.202","0.0004","13.542","0.0008","14.9987","0.0007","90","","90","","90","","1462.82","0.14","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Lornoxicam","(3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin- 4 - one 1,1-dioxide","","- C13 H10 Cl N3 O4 S2 -","- C13 H10 Cl N3 O4 S2 -","- C52 H40 Cl4 N12 O16 S8 -","4","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.0718","0.0466","","","0.0866","0.093","","","","","","0.935","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510596","6.8795","0.0005","9.1606","0.0008","26.201","0.002","90","","90","","90","","1651.2","0.2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Lornoxicam Hydrochloride salt","(3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-enol 1,1-dioxide) hydrochloride salt","","- C13 H11 Cl2 N3 O4 S2 -","- C13 H11 Cl2 N3 O4 S2 -","- C52 H44 Cl8 N12 O16 S8 -","4","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.1345","0.0707","","","0.1404","0.1586","","","","","","0.98","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510597","21.1146","0.0011","37.6435","0.0019","28.2514","0.0014","90","","108.803","0.001","90","","21256.6","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H74 Cd2 N8 O12 -","- C92 H74 Cd2 N8 O12 -","- C736 H592 Cd16 N64 O96 -","8","1","","Qin, Ling; Ju, Ze-Min; Wang, Zhong-Jie; Meng, Fan-Dian; Zheng, He-Gen; Chen, Jin-Xi","Interpenetrated Metal‒Organic Framework with Selective Gas Adsorption and Luminescent Properties","Crystal Growth & Design","2014","14","6","2742","","10.1021/cg500269h","","","0.71073","MoKα","","0.066","0.0391","","","0.082","0.0852","","","","","","1.035","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4510598","21.46","0.002","8.4012","0.0009","15.337","0.0018","90","","110.639","0.005","90","","2587.6","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Bi6 Cl10 O12 Se4 -","- Bi6 Cl10 O12 Se4 -","- Bi24 Cl40 O48 Se16 -","4","1","","Aliev, Almaz; Kovrugin, V. M.; Colmont, Marie; Terryn, Christine; Huvé, Marielle; Siidra, O. I.; Krivovichev, S. V.; Mentré, Olivier","Revised Bismuth Chloroselenite System: Evidence of a Noncentrosymmmetric Structure with a Giant Unit Cell","Crystal Growth & Design","2014","14","6","3026","","10.1021/cg500293w","","x-ray","0.71073","MoKα","","0.0427","0.0299","","","0.033","0.0442","","","","1.46","1.46","1.76","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510599","22.7052","0.0003","76.785","0.004","16.055","0.0003","90","","135","0.0017","90","","19792.3","1.3","293","","293","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Bi Cl O3 Se -","- Bi Cl O3 Se -","- Bi192 Cl192 O576 Se192 -","192","48","","Aliev, Almaz; Kovrugin, V. M.; Colmont, Marie; Terryn, Christine; Huvé, Marielle; Siidra, O. I.; Krivovichev, S. V.; Mentré, Olivier","Revised Bismuth Chloroselenite System: Evidence of a Noncentrosymmmetric Structure with a Giant Unit Cell","Crystal Growth & Design","2014","14","6","3026","","10.1021/cg500293w","","x-ray","0.71073","MoKα","","0.1124","0.0612","","","0.0645","0.0694","","","","1.63","1.63","1.32","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510600","15.819","0.006","17.871","0.007","15.857","0.006","90","","90","","90","","4483","3","293","","293","","","","","","","","","5","C c c b :1","C 2 2 -1ac","68","","","","- Bi10 Cl8 O36 Pb Se12 -","- Bi10 Cl8 O36 Pb Se12 -","- Bi40 Cl32 O144 Pb4 Se48 -","4","","","Aliev, Almaz; Kovrugin, V. M.; Colmont, Marie; Terryn, Christine; Huvé, Marielle; Siidra, O. I.; Krivovichev, S. V.; Mentré, Olivier","Revised Bismuth Chloroselenite System: Evidence of a Noncentrosymmmetric Structure with a Giant Unit Cell","Crystal Growth & Design","2014","14","6","3026","","10.1021/cg500293w","","x-ray","0.71073","MoKα","","0.1057","0.0667","","","0.0639","0.0859","","","","0.84","0.84","0.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510813","15.433","0.002","29.985","0.005","15.798","0.002","90","","119.094","0.008","90","","6388.2","1.6","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C115 H96 Cl25 N8 O8 Pd4 Ru2 S4 -","- C115 H96 Cl25 N8 O8 Pd4 Ru2 S4 -","- C230 H192 Cl50 N16 O16 Pd8 Ru4 S8 -","2","1","","Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René","Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene","ACS Catalysis","2014","4","6","1850","","10.1021/cs500393x","","","0.71073","MoKα","","0.1074","0.0835","","","0.1896","0.2032","","","","","","1.065","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510814","11.5116","0.0005","13.6607","0.0006","39.4718","0.0017","90","","90","","90","","6207.2","0.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 -","- C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 -","- C260 H224 Cl16 N16 O16 Pd8 Ru8 S8 -","4","1","","Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René","Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene","ACS Catalysis","2014","4","6","1850","","10.1021/cs500393x","","","1.54178","CuKα","","0.0354","0.0339","","","0.0855","0.0863","","","","","","1.042","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510815","9.3808","0.0007","9.452","0.0007","15.2326","0.0009","96.684","0.005","97.284","0.005","105.658","0.006","1273.88","0.16","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O12 -","- C27 H27 N3 O12 -","- C54 H54 N6 O24 -","2","1","","Song, Jia-Xi; Yan, Yan; Yao, Jia; Chen, Jia-Mei; Lu, Tong-Bu","Improving the Solubility of Lenalidomide via Cocrystals","Crystal Growth & Design","2014","14","6","3069","","10.1021/cg500327s","","","1.54178","CuKα","","0.0566","0.0493","","","0.1373","0.1489","","","","","","1.041","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510816","13.1592","0.0006","9.5499","0.0003","13.1773","0.0006","90","","116.414","0.006","90","","1483.1","0.13","285","14","285","14","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H17 N5 O4 -","- C14 H17 N5 O4 -","- C56 H68 N20 O16 -","4","1","","Song, Jia-Xi; Yan, Yan; Yao, Jia; Chen, Jia-Mei; Lu, Tong-Bu","Improving the Solubility of Lenalidomide via Cocrystals","Crystal Growth & Design","2014","14","6","3069","","10.1021/cg500327s","","","1.54184","CuKα","","0.0523","0.0445","","","0.1092","0.1165","","","","","","1.047","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510817","8.643","0.0007","8.9364","0.0007","13.4003","0.001","86.348","0.006","79.738","0.007","65.391","0.008","925.88","0.14","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O7 -","- C20 H19 N3 O7 -","- C40 H38 N6 O14 -","2","1","","Song, Jia-Xi; Yan, Yan; Yao, Jia; Chen, Jia-Mei; Lu, Tong-Bu","Improving the Solubility of Lenalidomide via Cocrystals","Crystal Growth & Design","2014","14","6","3069","","10.1021/cg500327s","","","1.54178","CuKα","","0.0639","0.0498","","","0.1245","0.1361","","","","","","1.04","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510818","42.39","0.008","7.4819","0.0014","15.408","0.003","90","","104.032","0.003","90","","4740.9","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 Cl F N3 O6 -","- C24 H25 Cl F N3 O6 -","- C192 H200 Cl8 F8 N24 O48 -","8","1","","Martínez-Alejo, Juan M.; Domínguez-Chávez, Jorge G.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Höpfl, Herbert; Morales-Rojas, Hugo; Senosiain, Juan P.","A Twist in Cocrystals of Salts: Changes in Packing and Chloride Coordination Lead to Opposite Trends in the Biopharmaceutical Performance of Fluoroquinolone Hydrochloride Cocrystals","Crystal Growth & Design","2014","14","6","3078","","10.1021/cg500345a","","","0.71073","MoKα","","0.1391","0.1021","","","0.1592","0.1691","","","","","","1.288","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510819","6.6136","0.0018","10.492","0.003","15.293","0.004","91.298","0.004","91.219","0.005","101.16","0.004","1040.5","0.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C21.5 H27 Cl F N3 O4.5 -","- C21.5 H27 Cl F N3 O4.5 -","- C43 H54 Cl2 F2 N6 O9 -","2","2","","Martínez-Alejo, Juan M.; Domínguez-Chávez, Jorge G.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Höpfl, Herbert; Morales-Rojas, Hugo; Senosiain, Juan P.","A Twist in Cocrystals of Salts: Changes in Packing and Chloride Coordination Lead to Opposite Trends in the Biopharmaceutical Performance of Fluoroquinolone Hydrochloride Cocrystals","Crystal Growth & Design","2014","14","6","3078","","10.1021/cg500345a","","","0.71073","MoKα","","0.0968","0.0788","","","0.1708","0.1875","","","","","","1.083","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510820","7.779","0.002","17.321","0.004","10.313","0.003","90","","103.685","0.004","90","","1350.1","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H31 Cl F N3 O7 -","- C28 H31 Cl F N3 O7 -","- C56 H62 Cl2 F2 N6 O14 -","2","1","","Martínez-Alejo, Juan M.; Domínguez-Chávez, Jorge G.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Höpfl, Herbert; Morales-Rojas, Hugo; Senosiain, Juan P.","A Twist in Cocrystals of Salts: Changes in Packing and Chloride Coordination Lead to Opposite Trends in the Biopharmaceutical Performance of Fluoroquinolone Hydrochloride Cocrystals","Crystal Growth & Design","2014","14","6","3078","","10.1021/cg500345a","","","0.71073","MoKα","","0.0634","0.0538","","","0.1145","0.1188","","","","","","1.104","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510821","20.0561","0.0005","19.5073","0.0002","9.6398","0.0002","90","","130.671","0.004","90","","2860.5","0.2","180","","180","","","","101","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl N O6 -","- C32 H36 Cl N O6 -","- C128 H144 Cl4 N4 O24 -","4","1","","Sládková, Veronika; Cibulková, Jana; Eigner, Václav; Šturc, Antonín; Kratochvíl, Bohumil; Rohlíček, Jan","Application and Comparison of Cocrystallization Techniques on Trospium Chloride Cocrystals","Crystal Growth & Design","2014","14","6","2931","","10.1021/cg500226z","","","1.54184","CuKα","","0.0551","0.0449","","0.1292","0.1108","0.1292","","","","","","0.9703","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510822","43.4462","0.0007","6.61949","0.0001","16.5083","0.0002","90","","99.7909","0.0014","90","","4678.5","0.12","190","","190","","","","101","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H62 Cl2 N2 O10 -","- C52 H62 Cl2 N2 O10 -","- C208 H248 Cl8 N8 O40 -","4","0.5","","Sládková, Veronika; Cibulková, Jana; Eigner, Václav; Šturc, Antonín; Kratochvíl, Bohumil; Rohlíček, Jan","Application and Comparison of Cocrystallization Techniques on Trospium Chloride Cocrystals","Crystal Growth & Design","2014","14","6","2931","","10.1021/cg500226z","","","1.54184","CuKα","","0.0428","0.0403","","0.1221","0.1174","0.1221","","","","","","0.9214","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510823","25.4311","0.0005","6.66631","0.00012","16.7131","0.0003","90","","95.057","0.0017","90","","2822.37","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Cl N O7 -","- C30 H38 Cl N O7 -","- C120 H152 Cl4 N4 O28 -","4","1","","Sládková, Veronika; Cibulková, Jana; Eigner, Václav; Šturc, Antonín; Kratochvíl, Bohumil; Rohlíček, Jan","Application and Comparison of Cocrystallization Techniques on Trospium Chloride Cocrystals","Crystal Growth & Design","2014","14","6","2931","","10.1021/cg500226z","powder diffraction","x-ray","1.5418","CuKα","","0.1127","0.0854","","0.0792","0.0741","","","","1.56","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510824","24.2324","0.0006","6.76298","0.00012","16.5907","0.0003","90","","107.606","0.0009","90","","2591.58","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Cl N O5 -","- C28 H35 Cl N O5 -","- C112 H140 Cl4 N4 O20 -","4","1","","Sládková, Veronika; Cibulková, Jana; Eigner, Václav; Šturc, Antonín; Kratochvíl, Bohumil; Rohlíček, Jan","Application and Comparison of Cocrystallization Techniques on Trospium Chloride Cocrystals","Crystal Growth & Design","2014","14","6","2931","","10.1021/cg500226z","powder diffraction","x-ray","1.5418","CuKα","","0.069","0.0482","","0.0565","0.0513","","","","2.81","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510825","13.865","0.012","16.623","0.014","21.819","0.018","90","","92.033","0.014","90","","5026","7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 Ag6 F12 N4 O11 -","- C41 H24 Ag6 F12 N4 O11 -","- C164 H96 Ag24 F48 N16 O44 -","4","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1073","0.0818","","","0.1927","0.2119","","","","","","1.067","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510826","13.654","0.003","14.19","0.003","15.105","0.003","77.671","0.004","76.944","0.004","70.973","0.004","2663.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H72 Ag12 F24 N8 O26.5 -","- C80 H56 Ag12 F24 N8 O26.5 -","- C80 H56 Ag12 F24 N8 O26.5 -","1","0.5","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1191","0.1103","","","0.2562","0.269","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510827","10.9216","0.0018","13.425","0.002","26.111","0.004","76.311","0.003","88.568","0.003","72.997","0.003","3553.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H49 Ag9 F18 N4 O17 -","- C55 H38 Ag9 F18 N4 O17 -","- C110 H76 Ag18 F36 N8 O34 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.0843","0.0788","","","0.2159","0.2267","","","","","","1.034","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510828","10.9575","0.0015","13.3587","0.0019","27.408","0.004","76.029","0.003","89.12","0.002","72.503","0.003","3706","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H55 Ag9 F18 N4 O17 -","- C58 H42 Ag9 F18 N4 O17 -","- C116 H84 Ag18 F36 N8 O34 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1072","0.0935","","","0.2222","0.2388","","","","","","1.072","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510829","9.9298","0.0008","13.4301","0.0011","14.8808","0.0012","65.92","0.001","84.082","0.002","76.82","0.002","1763.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H41 Ag8 F18 N8 O15 -","- C56 H38 Ag8 F18 N8 O15 -","- C56 H38 Ag8 F18 N8 O15 -","1","0.5","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1162","0.111","","","0.2508","0.2572","","","","","","1.105","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510830","9.9222","0.001","13.5535","0.0014","14.6566","0.0015","67.604","0.002","84.94","0.002","75.939","0.002","1767.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 Ag4 F9 N4 O7 -","- C29 H21 Ag4 F9 N4 O7 -","- C58 H42 Ag8 F18 N8 O14 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1296","0.1179","","","0.2615","0.2736","","","","","","1.101","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510831","10.143","0.001","13.139","0.0012","14.3959","0.0013","63.58","0.002","88.212","0.002","72.382","0.002","1625.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Ag4 F9 N4 O7 -","- C25 H17 Ag4 F9 N4 O7 -","- C50 H34 Ag8 F18 N8 O14 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1111","0.1031","","","0.2403","0.249","","","","","","1.112","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510832","9.6275","0.0007","14.4359","0.001","14.9142","0.0011","67.025","0.002","74.899","0.001","85.478","0.001","1841.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 Ag4 F9 N4 O6 -","- C32 H27 Ag4 F9 N4 O6 -","- C64 H54 Ag8 F18 N8 O12 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1053","0.098","","","0.2371","0.2472","","","","","","1.091","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510833","12.7745","0.0014","14.18","0.0015","14.5221","0.0016","70.86","0.002","88.158","0.002","73.63","0.002","2379.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Ag6 F12 N4 O11 -","- C34 H24 Ag6 F12 N4 O11 -","- C68 H48 Ag12 F24 N8 O22 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1038","0.1001","","","0.2396","0.2482","","","","","","1.105","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510834","12.7287","0.0014","12.9642","0.0014","14.91","0.003","107.235","0.003","103.377","0.003","108.095","0.002","2087.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Ag6 F12 N4 O8 -","- C30 H32 Ag6 F12 N4 O8 -","- C60 H64 Ag12 F24 N8 O16 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.096","0.0921","","","0.2302","0.2365","","","","","","1.092","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510860","34.5483","0.0015","10.6845","0.0005","27.5819","0.0011","90","","107.569","0.002","90","","9706.4","0.7","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20.25 H33 K N O6.88 Os -","- C20.25 H33 K N O6.875 Os -","- C324 H528 K16 N16 O110 Os16 -","16","2","","Eckshtain-Levi, Meital; Yufit, Dmitry; Shimon, Linda J. W.; Kirillov, Alexander M.; Benisvy, Laurent","Os(VI)O2/K Metal‒Organic Frameworks: Infinite Chain, Grid, and Porous Networks","Crystal Growth & Design","2014","14","6","2703","","10.1021/cg4016178","","","0.71073","MoKα","","0.0341","0.0257","","","0.0537","0.0563","","","","","","1.019","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510861","13.3502","0.0002","7.10564","0.00011","30.6426","0.0004","90","","100.306","0.0015","90","","2859.91","0.07","120","0.2","120","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 K2 N2 O12 Os -","- C21 H40 K2 N2 O12 Os -","- C84 H160 K8 N8 O48 Os4 -","4","1","","Eckshtain-Levi, Meital; Yufit, Dmitry; Shimon, Linda J. W.; Kirillov, Alexander M.; Benisvy, Laurent","Os(VI)O2/K Metal‒Organic Frameworks: Infinite Chain, Grid, and Porous Networks","Crystal Growth & Design","2014","14","6","2703","","10.1021/cg4016178","","","0.7107","MoKα","Mo","0.0298","0.0254","","","0.0552","0.0567","","","","","","1.07","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510862","6.6601","0.00014","17.5692","0.0003","26.7739","0.0006","90","","91.926","0.0019","90","","3131.11","0.11","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 K N2 O10 Os -","- C26 H42 K N2 O10 Os -","- C104 H168 K4 N8 O40 Os4 -","4","1","","Eckshtain-Levi, Meital; Yufit, Dmitry; Shimon, Linda J. W.; Kirillov, Alexander M.; Benisvy, Laurent","Os(VI)O2/K Metal‒Organic Frameworks: Infinite Chain, Grid, and Porous Networks","Crystal Growth & Design","2014","14","6","2703","","10.1021/cg4016178","","","0.7107","MoKα","Mo","0.0454","0.0421","","","0.0927","0.094","","","","","","1.181","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510863","12.519","0.007","13.07","0.006","21.475","0.011","73.351","0.013","89.769","0.014","70.849","0.01","3164","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H142 N4 Ni8 O28 P2 S8 -","- C108 H110 N4 Ni8 O28 P2 S8 -","- C108 H110 N4 Ni8 O28 P2 S8 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0928","0.0728","","","0.1861","0.2075","","","","","","1.083","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510864","12.304","0.006","12.449","0.006","21.118","0.011","84.197","0.017","78.94","0.013","75.862","0.014","3073","3","293","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C114 H116 Cl0 N6 Ni8 O28 P2 S8 -","- C113.98 H84 N6 Ni8 O28 P2 S8 -","- C113.98 H84 N6 Ni8 O28 P2 S8 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0924","0.07","","","0.1897","0.2143","","","","","","1.037","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510865","24.549","0.004","28.856","0.004","31.942","0.005","90","","93.539","0.002","90","","22584","6","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C180 H116 Cl2 Na2 Ni12 O30 P6 S12 -","- C180 H110 Cl2.01 Na2 Ni12 O30 P6 S12 -","- C720 H440 Cl8.04 Na8 Ni48 O120 P24 S48 -","4","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0713","0.0624","","","0.2008","0.2138","","","","","","1.04","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510866","24.017","0.006","28.969","0.007","31.279","0.008","90","","95.079","0.005","90","","21677","9","120","2","120","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C180 H116 Cl2 Co12 N0 Na2 O31 P6 S12 -","- C180 H108 Cl2.01 Co12 Na2 O30 P6 S12 -","- C720 H432 Cl8.04 Co48 Na8 O120 P24 S48 -","4","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0813","0.0654","","","0.1874","0.2047","","","","","","1.046","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510867","30.8006","0.0003","30.8006","0.0003","63.5696","0.0012","90","","90","","90","","60307","1.4","120","2","120","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C212 H236 Na4 Ni16 O80 P8 S16 -","- C212 H156 Na4 Ni16 O80 P8 S16 -","- C1696 H1248 Na32 Ni128 O640 P64 S128 -","8","0.25","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0753","0.0723","","","0.2183","0.2224","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510868","31.0238","0.0004","31.0238","0.0004","63.8894","0.0016","90","","90","","90","","61492","1.9","120","2","120","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C212 H236 Co16 Na4 O80 P8 S16 -","- C212 H180 Co16 Na4 O80 P8 S16 -","- C1696 H1440 Co128 Na32 O640 P64 S128 -","8","0.25","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0743","0.0715","","","0.2107","0.2144","","","","","","1.074","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510869","26.2994","0.0003","33.3014","0.0005","37.9859","0.0003","79.778","0.001","85.964","0.001","66.865","0.001","30107.3","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C414 H514 Cl0 Co40 N2 O124 P16 S40 -","- C400 H391 Co40 O114 P16 S40 -","- C800 H782 Co80 O228 P32 S80 -","2","1","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.1265","0.0934","","","0.2757","0.3078","","","","","","1.063","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510870","40.933","0.006","25.607","0.004","35.165","0.005","90","","90","","90","","36859","9","120","2","120","2","","","","","","","","8","C m c a","-C 2ac 2","64","","","","- C252 H314 Cl6 Co24 N6 O57 P8 S24 -","- C240 H96 Cl6 Co24 O57 P8 S24 -","- C960 H384 Cl24 Co96 O228 P32 S96 -","4","","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.1048","0.0853","","","0.2413","0.2687","","","","","","1.051","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510871","12.9082","0.0009","11.5417","0.0008","12.5179","0.0009","90","","116.342","0.009","90","","1671.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 O6 -","- C14 H24 N2 O6 -","- C56 H96 N8 O24 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0559","0.0439","","","0.1503","0.1622","","","","","","1.159","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510872","6.23877","0.00007","11.55362","0.00012","11.3436","0.00012","90","","90.9259","0.0009","90","","817.544","0.015","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","Levetiracetam 2,2-dimethylsuccinic acid cocrystal","","","- C14 H24 N2 O6 -","- C14 H24 N2 O6 -","- C28 H48 N4 O12 -","2","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","powder diffraction","x-ray","0.775045","synchrotron","","","","","","","","","8.7502","4.1792","","","","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510873","6.2828","0.0003","13.3843","0.0006","18.7984","0.0008","90","","96.638","0.004","90","","1570.18","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O6 -","- C15 H20 N2 O6 -","- C60 H80 N8 O24 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0463","0.0399","","","0.0919","0.0956","","","","","","1.077","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510874","6.60584","0.00003","13.11919","0.00007","18.80723","0.00008","90","","90","","90","","1629.9","0.013","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Etiracetam 2,4-dihydroxybenzoic acid cocrystal","","","- C15 H20 N2 O6 -","- C15 H20 N2 O6 -","- C60 H80 N8 O24 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","powder diffraction","x-ray","0.775045","synchrotron","","","","","","","","","12.3722","2.9361","","","","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510875","5.8455","0.0002","11.6845","0.0012","12.5762","0.001","78.856","0.008","82.443","0.006","84.035","0.007","832.73","0.11","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N3 O6 -","- C15 H19 N3 O6 -","- C30 H38 N6 O12 -","2","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0661","0.0526","","","0.1382","0.1476","","","","","","1.037","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510876","8.0511","0.0004","13.0536","0.0006","23.0243","0.0009","90","","90","","90","","2419.76","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N4 O10 -","- C22 H24 N4 O10 -","- C88 H96 N16 O40 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","1.54184","CuKα","","0.0446","0.0412","","","0.1108","0.1148","","","","","","1.02","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510877","24.2697","0.0008","7.4683","0.0002","13.323","0.0005","90","","104.663","0.004","90","","2336.19","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N4 O10 -","- C22 H24 N4 O10 -","- C88 H96 N16 O40 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0634","0.0526","","","0.1538","0.1632","","","","","","1.165","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510878","7.0988","0.0009","7.3613","0.001","12.1428","0.0013","77.496","0.01","88.25","0.01","74.232","0.012","595.91","0.13","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H24 N4 O10 -","- C22 H24 N4 O10 -","- C22 H24 N4 O10 -","1","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0586","0.054","","","0.1614","0.167","","","","","","1.057","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510879","5.7253","0.0002","20.2528","0.0007","10.9457","0.0005","90","","100.085","0.004","90","","1249.58","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N2 O6 -","- C10 H16 N2 O6 -","- C40 H64 N8 O24 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0479","0.0413","","","0.1015","0.1056","","","","","","1.071","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510880","5.7646","0.0004","19.8963","0.0014","11.069","0.0008","90","","99.331","0.006","90","","1252.75","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H16 N2 O6 -","- C10 H16 N2 O6 -","- C40 H64 N8 O24 -","4","2","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0608","0.0457","","","0.0899","0.0974","","","","","","1.031","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510881","17.2331","0.0008","17.2446","0.0007","27.9818","0.0014","92.121","0.004","91.996","0.004","112.639","0.004","7658.7","0.6","130","0.1","130","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C203 H195 Cl6 -","- C200 H196 -","- C400 H392 -","2","1","","Dam, Henk H.; Sun, Kuan; Hanssen, Eric; White, Jonathan M.; Marszalek, Tomasz; Pisula, Wojciech; Czolk, Jens; Ludwig, Jens; Colsmann, Alexander; Pfaff, Marina; Gerthsen, Dagmar; Wong, Wallace W. H.; Jones, David J.","Morphology Change and Improved Efficiency in Organic Photovoltaics via Hexa-peri-hexabenzocoronene Templates.","ACS applied materials & interfaces","2014","6","11","8824","8835","10.1021/am5015666","","","1.5418","CuKα","","0.1983","0.128","","","0.337","0.3971","","","","","","1.004","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510882","13.6168","0.0009","17.1138","0.0007","8.6415","0.0004","90","","99.949","0.005","90","","1983.49","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H23.5 Co N2.5 O5.5 -","- C17.5 H23.5 Co N2.5 O5.5 -","- C70 H94 Co4 N10 O22 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.0481","0.0371","","","0.0788","0.0841","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510883","11.443","0.0004","11.8242","0.0006","21.1005","0.0008","103.125","0.004","91.599","0.003","104.59","0.003","2679.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H42 Co2 F12 N7 O15 -","- C43 H42 Co2 F12 N7 O15 -","- C86 H84 Co4 F24 N14 O30 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.1387","0.0729","","","0.1436","0.1724","","","","","","0.999","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510884","10.0494","0.0003","10.0494","0.0003","24.9574","0.0011","90","","90","","120","","2182.78","0.13","293","2","293","2","","","","","","","","7","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C24 H16 Co F6 N4 O4 S2 -","- C24 H16 Co F6 N4 O4 S2 -","- C72 H48 Co3 F18 N12 O12 S6 -","3","0.25","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.0579","0.0453","","","0.1303","0.1427","","","","","","1.032","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510885","10.0283","0.0003","10.0283","0.0003","26.851","0.001","90","","90","","120","","2338.55","0.13","293","2","293","2","","","","","","","","6","P 62","P 62","171","","","","- C28 H24 Co F6 N4 O5 -","- C28 H24 Co F6 N4 O5 -","- C84 H72 Co3 F18 N12 O15 -","3","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.0685","0.0478","","","0.1132","0.1269","","","","","","1.064","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510886","18.6416","0.001","17.6594","0.0007","38.1138","0.0019","90","","90.137","0.005","90","","12547","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C120 H112 Co4 F24 N16 O16 -","- C120 H112 Co4 F24 N16 O16 -","- C480 H448 Co16 F96 N64 O64 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.2455","0.0872","","","0.1903","0.245","","","","","","1.015","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510941","12.222","0.0015","12.222","0.0015","41.159","0.005","90","","90","","90","","6148.2","1.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C35 H24 Cd N2 O8 -","- C35 H26 Cd N2 O8 -","- C280 H208 Cd8 N16 O64 -","8","0.5","","Pang, Ling-Yan; Yang, Guo-Ping; Jin, Jun-Cheng; Kang, Meng; Fu, Ai-Yun; Wang, Yao-Yu; Shi, Qi-Zhen","A Rare L1D + R1D →3D Luminescent Dense Polymer as Multifunctional Sensor to Nitro Aromatic Compounds, Cu2+, and Bases","Crystal Growth & Design","2014","14","6","2954","","10.1021/cg5002418","","","0.71073","MoKα","","0.0347","0.0314","","","0.0914","0.107","","","","","","1.13","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510942","35.108","0.005","12.2811","0.0007","18.782","0.003","90","","140.71","0.03","90","","5128","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Br N3 Pd -","- C30 H28 Br N3 Pd -","- C240 H224 Br8 N24 Pd8 -","8","1","","Sabater, Sara; Mata, Jose A.; Peris, Eduardo","Catalyst Enhancement and Recyclability by Immobilization of Metal Complexes onto Graphene Surface by Noncovalent Interactions","ACS Catalysis","2014","4","6","2038","","10.1021/cs5003959","","","0.71073","MoKα","","0.0526","0.038","","","0.0956","0.1048","","","","","","1.066","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510943","5.898","0.004","14.913","0.013","14.979","0.013","90","","90","","90","","1317.5","1.9","213","2","213","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H5 F3 -","- C7 H5 F3 -","- C56 H40 F24 -","8","1","","Merz, Klaus; Evers, Mathies V.; Uhl, Felix; Zubatyuk, Roman I.; Shishkin, Oleg V.","Role of CHF2- and CF3-Substituents on Molecular Arrangement in the Solid State: Experimental and Theoretical Crystal Structure Analysis of CH3/CHF2/CF3-Substituted Benzene","Crystal Growth & Design","2014","14","6","3124","","10.1021/cg500413j","","","0.71073","MoKα","","0.0901","0.0799","","","0.2164","0.2225","","","","","","1.146","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510944","5.854","0.0012","7.9654","0.0016","13.198","0.003","90","","100.18","0.03","90","","605.7","0.2","208","2","208","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 F2 -","- C7 H6 F2 -","- C28 H24 F8 -","4","1","","Merz, Klaus; Evers, Mathies V.; Uhl, Felix; Zubatyuk, Roman I.; Shishkin, Oleg V.","Role of CHF2- and CF3-Substituents on Molecular Arrangement in the Solid State: Experimental and Theoretical Crystal Structure Analysis of CH3/CHF2/CF3-Substituted Benzene","Crystal Growth & Design","2014","14","6","3124","","10.1021/cg500413j","","","0.71073","MoKα","","0.0776","0.0661","","","0.1553","0.1687","","","","","","1.073","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4511003","12.268","0.003","12.301","0.003","24.005","0.005","81.779","0.004","80.323","0.004","70.373","0.004","3348.9","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H29 Ag11 F21 N3 O14 -","- C56 H29 Ag11 F21 N3 O14 -","- C112 H58 Ag22 F42 N6 O28 -","2","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.0299","0.0246","","","0.0598","0.0631","","","","","","1.066","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511004","24.205","0.003","13.9678","0.0017","61.649","0.007","90","","96.107","0.002","90","","20725","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C77 H44 Ag17 F39 N3 O32 -","- C77 H38 Ag17 F39 N3 O32 -","- C616 H304 Ag136 F312 N24 O256 -","8","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.0927","0.083","","","0.1882","0.1939","","","","","","1.197","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511005","11.7817","0.0007","13.594","0.0008","25.5927","0.0016","90","","94.723","0.001","90","","4085","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H17 Ag7 F15 N O12 -","- C30 H17 Ag7 F15 N O12 -","- C120 H68 Ag28 F60 N4 O48 -","4","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.0363","0.0308","","","0.0713","0.0763","","","","","","1.069","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511006","27.0716","0.0018","7.0575","0.0004","22.571","0.0015","90","","104.864","0.001","90","","4168.1","0.5","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C31 H16 Ag7 F14 N O12 -","- C31 H16 Ag7 F14 N O12 -","- C124 H64 Ag28 F56 N4 O48 -","4","0.5","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.2114","0.1712","","","0.452","0.4892","","","","","","1.986","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511007","16.628","0.0016","17.478","0.0017","17.9012","0.0017","73.796","0.002","89.955","0.002","82.319","0.002","4947.4","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H31 Ag16.5 F37.5 O35 -","- C61 H20 Ag16.5 F37.5 O35 -","- C122 H40 Ag33 F75 O70 -","2","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.092","0.071","","","0.196","0.2238","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511008","11.3037","0.0007","11.8495","0.0007","27.6552","0.0016","80.746","0.001","87.808","0.001","76.235","0.001","3551","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H66 Ag22 F48 N9 O36 -","- C104 H60 Ag22 F48 N9 O36 -","- C104 H60 Ag22 F48 N9 O36 -","1","0.5","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.089","0.0634","","","0.154","0.1715","","","","","","1.066","","","","has coordinates,has disorder","179657","2020-10-21","18:00:00",""
"4511009","14.6088","0.0004","14.5942","0.0005","30.4951","0.0014","90","","98.439","0.003","90","","6431.3","0.4","150","","150","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C62.75 H90.6 Br N9 O10.4 -","- C62.75 H90.6 Br N9 O10.4 -","- C251 H362.4 Br4 N36 O41.6 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.0901","0.0704","","0.1696","0.1597","0.1696","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511010","14.6799","0.0001","14.6665","0.0002","30.4372","0.0002","90","","97.2017","0.0008","90","","6501.51","0.11","150","","150","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C62.8 H90.2 I N9 O10.5 -","- C62.8 H90.2 I N9 O10.5 -","- C251.2 H360.8 I4 N36 O42 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.0348","0.0329","","0.0918","0.0904","0.0918","","","","","","0.9866","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511011","14.495","0.0001","14.6003","0.0001","30.5996","0.0001","90","","95.6933","0.0003","90","","6443.89","0.07","150","","150","","","","","","","","synthesized","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H80 N10 O12 -","- C58 H80 N10 O12 -","- C232 H320 N40 O48 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.0593","0.0554","","0.1587","0.1549","0.1587","","","","","","0.9909","","","","has coordinates,has disorder","179657","2020-10-21","18:00:00",""
"4511012","14.0716","0.0001","14.4549","0.0001","29.2252","0.0003","90","","95.2965","0.0008","90","","5919.13","0.08","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H85 Cl N5 O11.5 -","- C58 H85 Cl N5 O11.5 -","- C232 H340 Cl4 N20 O46 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.0607","0.0559","","0.1626","0.157","0.1625","","","","","","0.9877","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511013","14.4476","0.0002","14.4588","0.0002","29.0175","0.0004","90","","94.4908","0.0012","90","","6043","0.14","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H85 I N5 O11.5 -","- C58 H85 I N5 O11.5 -","- C232 H340 I4 N20 O46 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.047","0.0418","","0.1191","0.1145","0.1191","","","","","","1.0259","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511014","10.911","0.0002","34.4444","0.0004","16.7589","0.0003","90","","95.8673","0.0018","90","","6265.38","0.18","100","","100","","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C114 H165 N12 O28.5 -","- C114 H165 N12 O28.5 -","- C228 H330 N24 O57 -","2","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","0.6889","synchrotron","","0.1148","0.1016","","0.2394","0.2169","0.2388","","","","","","1.0478","","","","has coordinates,has disorder","179657","2020-10-21","18:00:00",""
"4511015","11.086","0.0009","34.5934","0.0019","14.7651","0.0012","90","","91.329","0.008","90","","5660.9","0.7","100","","100","","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C58 H83 N5 O13 -","- C58 H83 N5 O13 -","- C232 H332 N20 O52 -","4","2","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","0.6889","synchrotron","","0.1137","0.0889","","0.206","0.1824","0.206","","","","","","1.0202","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511016","11.0358","0.0003","16.4868","0.0004","35.5496","0.001","90","","90","","90","","6468.1","0.3","150","","150","","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","","","","- C63 H85 N5 O13 -","- C63 H85 N5 O13 -","- C252 H340 N20 O52 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.0595","0.0532","","0.1436","0.1383","0.1436","","","","","","0.9914","","","","has coordinates,has disorder","179657","2020-10-21","18:00:00",""
"4511017","10.8836","0.0007","16.6797","0.0016","36.187","0.003","90","","90","","90","","6569.2","0.9","150","","150","","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H59 N9 O11 -","- C53 H59 N9 O11 -","- C212 H236 N36 O44 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.1582","0.1245","","0.3545","0.3145","0.3545","","","","","","1.1233","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511199","10.9162","0.0007","12.1614","0.0008","13.2689","0.0009","63.262","0.002","83.086","0.002","69.742","0.002","1474.55","0.17","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H32 I4 N6 O6 Sn -","- C56 H32 I4 N6 O6 Sn -","- C56 H32 I4 N6 O6 Sn -","1","0.5","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.055","0.0444","","","0.1221","0.1276","","","","","","1.052","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511200","15.1179","0.0004","8.6311","0.0002","16.266","0.0004","90","","95.133","0.001","90","","2113.94","0.09","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H24 I4 N4 O V -","- C44 H24 I4 N4 O V -","- C88 H48 I8 N8 O2 V2 -","2","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0574","0.0495","","","0.1403","0.1461","","","","","","1.039","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511201","56.344","0.0018","8.557","0.0002","21.349","0.0007","90","","104.526","0.002","90","","9964.1","0.5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H34 I4 Mo N7 O3 -","- C53 H34 I4 Mo N7 O3 -","- C424 H272 I32 Mo8 N56 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.061","0.0466","","","0.1599","0.2055","","","","","","1.629","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511202","55.469","0.003","8.6711","0.0005","21.0353","0.0013","90","","95.435","0.003","90","","10072","1","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H27 Br I4 Mo N5 O3 -","- C50 H27 Br I4 Mo N5 O3 -","- C400 H216 Br8 I32 Mo8 N40 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0625","0.0521","","","0.1357","0.1395","","","","","","1.326","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511203","15.8194","0.0005","16.4413","0.0005","22.4957","0.0008","75.395","0.002","71.085","0.002","87.063","0.002","5353.2","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H27 I4 Mo N6 O3 -","- C49 H27 I4 Mo N6 O3 -","- C196 H108 I16 Mo4 N24 O12 -","4","2","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0681","0.0508","","","0.1691","0.1826","","","","","","1.053","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511204","37.5438","0.0014","16.2519","0.0005","16.3223","0.0004","90","","104.076","0.002","90","","9660.1","0.5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H28 I5 Mo N4 O3 -","- C51 H28 I5 Mo N4 O3 -","- C408 H224 I40 Mo8 N32 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.1082","0.0632","","","0.1739","0.2154","","","","","","0.997","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511205","38.4438","0.0016","16.317","0.0007","15.9435","0.0006","90","","104.165","0.002","90","","9697.1","0.7","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H28 Cl I4 Mo N4 O3 -","- C51 H28 Cl I4 Mo N4 O3 -","- C408 H224 Cl8 I32 Mo8 N32 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0808","0.0598","","","0.1549","0.1668","","","","","","0.962","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511206","9.8873","0.0004","16.2858","0.0006","16.7259","0.0007","109.494","0.002","105.496","0.002","105.315","0.002","2253.97","0.17","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H27 Br5 Mo N5 O3 -","- C50 H27 Br5 Mo N5 O3 -","- C100 H54 Br10 Mo2 N10 O6 -","2","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0531","0.0374","","","0.1137","0.1267","","","","","","0.965","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511207","29.6929","0.001","14.6788","0.0004","22.636","0.0008","90","","110.222","0.001","90","","9257.9","0.5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H28 Br4 Mo N5 O3 -","- C50 H28 Br4 Mo N5 O3 -","- C400 H224 Br32 Mo8 N40 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0714","0.0502","","","0.1142","0.1216","","","","","","1.027","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511208","11.9734","0.0004","27.3052","0.0011","14.9182","0.0005","90","","96.621","0.002","90","","4844.8","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H35 I Mo N8 O3 -","- C50 H35 I Mo N8 O3 -","- C200 H140 I4 Mo4 N32 O12 -","4","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0776","0.062","","","0.1594","0.1665","","","","","","1.081","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511209","36.181","0.002","15.7826","0.0009","16.3625","0.0009","90","","97.903","0.003","90","","9254.7","0.9","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H40 I Mo N4 O3 -","- C55 H40 I Mo N4 O3 -","- C440 H320 I8 Mo8 N32 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0858","0.0612","","","0.1556","0.167","","","","","","1.011","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511210","19.836","0.01","7.193","0.004","12.924","0.006","90","","98.587","0.008","90","","1823.3","1.6","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C72 H72 N16 O24 -","4","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0738","0.045","","","0.1035","0.1179","","","","","","1.066","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511211","7.939","0.005","8.809","0.004","18.406","0.011","90","","90","","90","","1287.2","1.3","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.1213","0.0881","","","0.2434","0.2695","","","","","","1.147","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511212","7.897","0.004","8.786","0.004","18.235","0.009","90","","90","","90","","1265.2","1.1","203","2","203","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0854","0.0581","","","0.1311","0.1465","","","","","","1.08","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511213","7.868","0.003","8.766","0.003","18.138","0.008","90","","90","","90","","1251","0.8","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0731","0.0566","","","0.1633","0.1712","","","","","","1.03","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511214","10.3822","0.0015","14.176","0.002","17.233","0.002","90","","101.212","0.003","90","","2487.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N5 O9 -","- C24 H23 N5 O9 -","- C96 H92 N20 O36 -","4","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0935","0.0685","","","0.2016","0.2149","","","","","","1.127","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511215","17.006","0.004","13.708","0.003","20.859","0.004","90","","99.412","0.003","90","","4797.2","1.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N5 O9 -","- C24 H23 N5 O9 -","- C192 H184 N40 O72 -","8","2","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.1267","0.0577","","","0.1127","0.1381","","","","","","1","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511216","7.8501","0.0008","17.5407","0.0017","17.4936","0.0017","90","","102.741","0.002","90","","2349.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N5 O9 -","- C24 H23 N5 O9 -","- C96 H92 N20 O36 -","4","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0365","0.0324","","","0.0795","0.0828","","","","","","1.011","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511217","7.5051","0.0008","20.064","0.002","16.9094","0.0017","90","","100.157","0.002","90","","2506.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N5 O9 -","- C25 H25 N5 O9 -","- C100 H100 N20 O36 -","4","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0401","0.034","","","0.0879","0.0933","","","","","","1.022","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511218","26.998","0.002","10.272","0.001","13.3181","0.0012","90","","92.46","0.001","90","","3690","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 Mo0.75 N2 O10 W0.25 -","- C40 H44 Mo0.75 N2 O10 W0.25 -","- C160 H176 Mo3 N8 O40 W -","4","0.5","","Zhang, B.; Lu, X. M.; Li, K.; Du, S. Z.; Wang, G.; Wang, Q.","Improving and Fining of Nanostructures by Mixing W with Mo in Metal Organic Hybrid Crystal","Crystal Growth & Design","2014","14","7","3249","","10.1021/cg401839m","","","0.71073","MoKα","","0.0611","0.0409","","","0.0827","0.0944","","","","","","1.066","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511219","9.4513","0.0003","13.6988","0.0015","9.4512","0.0009","90","","90","","90","","1223.66","0.18","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and Theoretical Characterization of Short H-Bonds with Organic Fluorine in Molecular Crystals","Crystal Growth & Design","2014","14","7","3155","","10.1021/cg5004758","","","0.71073","MoKα","","0.0643","0.042","","","0.0759","0.0808","","","","","","0.921","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4511220","14.2784","0.001","11.3734","0.0009","14.8822","0.0011","90","","96.67","0.004","90","","2400.4","0.3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","2","","Panini, Piyush; Chopra, Deepak","Experimental and Theoretical Characterization of Short H-Bonds with Organic Fluorine in Molecular Crystals","Crystal Growth & Design","2014","14","7","3155","","10.1021/cg5004758","","","0.71073","MoKα","","0.0403","0.0349","","","0.0802","0.083","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4511221","10.7039","0.0018","12.496","0.002","8.8106","0.0015","90","","92.281","0.003","90","","1177.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and Theoretical Characterization of Short H-Bonds with Organic Fluorine in Molecular Crystals","Crystal Growth & Design","2014","14","7","3155","","10.1021/cg5004758","","","0.71073","MoKα","","0.0333","0.0318","","","0.0765","0.0775","","","","","","1.072","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4511225","16.346","0.005","17.081","0.005","17.163","0.005","68.749","0.005","86.941","0.005","66.545","0.005","4074","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H58 Gd2 N5 O16 -","- C75 H58 Gd2 N5 O16 -","- C150 H116 Gd4 N10 O32 -","2","1","","Singh, Ruchi; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Solvent-Induced Carboxylate Shift and Movement of an Anthryl Side-Group in Single-Crystal to Single-Crystal Structural Dynamics in a Gadolinium Coordination Polymer","Crystal Growth & Design","2014","14","7","3623","","10.1021/cg5005775","","","0.71073","MoKα","","0.0684","0.054","","","0.155","0.1651","","","","","","1.103","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511226","17.779","0.005","19.772","0.005","20.507","0.005","90","","98.486","0.005","90","","7130","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H45 Gd2 N3 O16 -","- C69 H45 Gd2 N3 O16 -","- C276 H180 Gd8 N12 O64 -","4","1","","Singh, Ruchi; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Solvent-Induced Carboxylate Shift and Movement of an Anthryl Side-Group in Single-Crystal to Single-Crystal Structural Dynamics in a Gadolinium Coordination Polymer","Crystal Growth & Design","2014","14","7","3623","","10.1021/cg5005775","","","0.71073","MoKα","","0.0856","0.0539","","","0.1325","0.1557","","","","","","0.937","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511227","15.418","0.005","16.274","0.005","17.876","0.005","109.838","0.005","93.621","0.005","111.141","0.005","3846","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H59 Gd2 N5 O15 -","- C75 H59 Gd2 N5 O15 -","- C150 H118 Gd4 N10 O30 -","2","1","","Singh, Ruchi; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Solvent-Induced Carboxylate Shift and Movement of an Anthryl Side-Group in Single-Crystal to Single-Crystal Structural Dynamics in a Gadolinium Coordination Polymer","Crystal Growth & Design","2014","14","7","3623","","10.1021/cg5005775","","","0.71073","MoKα","","0.1092","0.07","","","0.1787","0.2063","","","","","","0.958","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511228","25.571","0.005","10.862","0.005","16.025","0.005","90","","105.819","0.005","90","","4282","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H41 Gd N3 O9 -","- C51 H41 Gd N3 O9 -","- C204 H164 Gd4 N12 O36 -","4","1","","Singh, Ruchi; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Solvent-Induced Carboxylate Shift and Movement of an Anthryl Side-Group in Single-Crystal to Single-Crystal Structural Dynamics in a Gadolinium Coordination Polymer","Crystal Growth & Design","2014","14","7","3623","","10.1021/cg5005775","","","0.71073","MoKα","","0.0839","0.0422","","","0.0862","0.1001","","","","","","1.046","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511229","7.7478","0.0002","8.1124","0.0002","13.1768","0.0003","117.03","0.02","81.34","0.02","89","0.02","725.85","0.15","298","","298","","","","","","","","","5","P -1","-P 1","2","bupropion hydrochloride","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydrochloride","","- C13 H19 Cl2 N O -","- C13 H19 Cl2 N O -","- C26 H38 Cl4 N2 O2 -","2","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","7.04","","","","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511230","7.9819","0.0004","8.2163","0.0005","13.7557","0.0008","84.51","0.04","84.75","0.04","63.07","0.04","799.4","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","bupropion hydroiodide","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydroiodide","","- C13 H19 Cl I N O -","- C13 H19 Cl I N O -","- C26 H38 Cl2 I2 N2 O2 -","2","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","5.47","","","","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511231","8.591","0.0002","14.61","0.0003","25.671","0.0006","90","","92.626","0.002","90","","3218.7","0.13","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bupropion hydroiodide","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydroiodide","","- C13 H19 Cl I N O -","- C13 H19 Cl I N O -","- C104 H152 Cl8 I8 N8 O8 -","8","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","2.9","","","","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511232","14.6084","0.0003","8.0869","0.0002","27.0461","0.0004","90","","92.76","0.001","90","","3191.43","0.11","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bupropion hydroiodide","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydroiodide","","- C13 H19 Cl I N O -","- C13 H19 Cl I N O -","- C104 H152 Cl8 I8 N8 O8 -","8","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","4.09","","","","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511233","8.2635","0.0005","9.7799","0.0003","20.2113","0.0006","90","","99.98","0.03","90","","1608.68","0.19","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bupropion hydroiodide","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydroiodide","","- C13 H19 Cl I N O -","- C13 H19 Cl I N O -","- C52 H76 Cl4 I4 N4 O4 -","4","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","16.89","","","","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511234","7.5154","0.0003","7.8712","0.0003","13.7033","0.0006","88.12","0.03","86.41","0.02","67.78","0.02","748.91","0.12","298","","298","","","","","","","","","5","P -1","-P 1","2","bupropion hydrochloride","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydrochloride","","- C13 H19 Cl2 N O -","- C13 H19 Cl2 N O -","- C26 H38 Cl4 N2 O2 -","2","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","7.4","","","","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511235","11.961","0.002","12.954","0.003","14.825","0.003","114","0.03","99.25","0.03","90.72","0.03","2063.4","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Haloperidol-oxalic acid dihydrate","Haloperidol-oxalic acid hydrate","","- C44 H52 Cl2 F2 N2 O10 -","- C44 H52 Cl2 F2 N2 O10 -","- C88 H104 Cl4 F4 N4 O20 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0393","0.0383","","","0.0963","0.0972","","","","","","1.073","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511236","13.125","0.003","11.996","0.002","26.81","0.005","90","","90.06","0.03","90","","4221.2","1.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","ACN solvate of HAL and OA salt","","- C46 H51 Cl2 F2 N3 O8 -","- C46 H51 Cl2 F2 N3 O8 -","- C184 H204 Cl8 F8 N12 O32 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0967","0.085","","","0.2005","0.2114","","","","","","1.233","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511237","8.7151","0.0017","10.152","0.002","14.454","0.003","97.42","0.03","98.87","0.03","114.92","0.03","1118.7","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Haloperidol-fumaric acid salt dihydrate","Haloperidol-fumaric acid salt dihydrate","","- C23 H29 Cl F N O6 -","- C23 H29 Cl F N O6 -","- C46 H58 Cl2 F2 N2 O12 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0542","0.0494","","","0.1196","0.1234","","","","","","1.124","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511238","8.6026","0.0017","10.585","0.002","13.862","0.003","108.39","0.03","101.96","0.03","99.31","0.03","1136.2","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Haloperidol-succinic acid salt hydrate","Haloperidol-succinic acid salt hydrate","","- C23 H30 Cl F N O6 -","- C23 H30 Cl F N O6 -","- C46 H60 Cl2 F2 N2 O12 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0606","0.0587","","","0.1623","0.165","","","","","","1.122","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511239","8.7476","0.0017","10.374","0.002","13.837","0.003","105.57","0.03","100.04","0.03","96.1","0.03","1175.5","0.5","118","2","118","2","","","","","","","","6","P -1","-P 1","2","Haloperidol-Acetic acid salt dihydrate","Haloperidol-Acetic acid salt dihydrate","","- C23 H31 Cl F N O6 -","- C23 H31 Cl F N O6 -","- C46 H62 Cl2 F2 N2 O12 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0403","0.0379","","","0.1032","0.1059","","","","","","1.084","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511240","8.4958","0.0017","10.032","0.002","26.324","0.005","90","","94.46","0.03","90","","2236.8","0.8","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Haloperidol-Formic acid salt","Haloperidol-Formic acid salt","","- C23 H27 Cl F N O6 -","- C23 H27 Cl F N O6 -","- C92 H108 Cl4 F4 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0523","0.0481","","","0.1232","0.1272","","","","","","1.081","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511241","11.189","0.002","19.89","0.004","12.562","0.003","90","","114.22","0.03","90","","2549.6","1.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1:1 salt of haloperidol and saccharin","","- C28 H28 Cl F N2 O5 S -","- C28 H28 Cl F N2 O5 S -","- C112 H112 Cl4 F4 N8 O20 S4 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0611","0.0575","","","0.1466","0.1503","","","","","","1.154","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511242","8.4571","0.0017","9.768","0.002","17.989","0.004","87.28","0.03","86.32","0.03","68.48","0.03","1379.2","0.6","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","1:1 salt of HAL and CSA","","- C27 H36 Cl F N2 O5 S -","- C27 H36 Cl F N2 O5 S -","- C54 H72 Cl2 F2 N4 O10 S2 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0756","0.0704","","","0.1783","0.1829","","","","","","1.185","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511243","26.571","0.005","9.925","0.002","21.954","0.004","90","","120.59","0.03","90","","4984","2","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Form I of a 1:1 salt of HAL and ACE-H","","- C25 H28 Cl F N2 O6 S -","- C25 H28 Cl F N2 O6 S -","- C200 H224 Cl8 F8 N16 O48 S8 -","8","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0688","0.0668","","","0.1566","0.158","","","","","","1.239","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511244","9.534","0.0019","10.12","0.002","14.36","0.003","88.15","0.03","83.73","0.03","65.69","0.03","1255","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","Form II of a 1:1 salt of HAL and ACE-H","","- C25 H28 Cl F N2 O6 S -","- C25 H28 Cl F N2 O6 S -","- C50 H56 Cl2 F2 N4 O12 S2 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0475","0.0465","","","0.1091","0.1099","","","","","","1.112","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511245","18.342","0.005","7.221","0.002","21.239","0.006","90","","90.928","0.005","90","","2812.7","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H2 F4 N2 -","- C7 H2 F4 N2 -","- C112 H32 F64 N32 -","16","2","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.1311","0.0615","","","0.1415","0.1698","","","","","","0.983","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511246","7.898","0.005","13.628","0.008","9.602","0.006","90","","112.516","0.012","90","","954.7","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H F7 N2 -","- C8 H F7 N2 -","- C32 H4 F28 N8 -","4","1","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.1881","0.066","","","0.1375","0.1744","","","","","","0.997","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511247","13.723","0.015","4.884","0.005","11.259","0.012","90","","100.854","0.018","90","","741.1","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H2 F4 N2 O -","- C7 H2 F4 N2 O -","- C28 H8 F16 N8 O4 -","4","1","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.0865","0.0402","","","0.0971","0.1152","","","","","","0.99","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511248","11.2581","0.0011","5.4872","0.0005","13.5463","0.0013","90","","101.503","0.002","90","","820.02","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 F4 N2 O -","- C8 H4 F4 N2 O -","- C32 H16 F16 N8 O4 -","4","1","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.0749","0.0362","","","0.0905","0.1045","","","","","","0.995","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511249","5.009","0.001","8.499","0.0017","10.854","0.002","103.871","0.004","101.076","0.004","104.493","0.004","418.41","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H4 F4 N2 O -","- C8 H4 F4 N2 O -","- C16 H8 F8 N4 O2 -","2","1","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.1011","0.0482","","","0.1335","0.1815","","","","","","1.002","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511250","24.123","0.005","4.3561","0.0009","18.078","0.004","90","","101.365","0.005","90","","1862.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F4 N2 O -","- C9 H6 F4 N2 O -","- C72 H48 F32 N16 O8 -","8","2","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.3535","0.0875","","","0.1909","0.2565","","","","","","0.985","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511251","9.733","0.0013","15.198","0.002","18.133","0.002","90","","94.256","0.003","90","","2674.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H2 F10 N2 O2 -","- C10 H2 F10 N2 O2 -","- C80 H16 F80 N16 O16 -","8","2","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.1307","0.0522","","","0.1245","0.1465","","","","","","0.998","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511252","10.1046","0.0005","8.5162","0.0005","11.6426","0.0006","90","","109.58","0.03","90","","943.9","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N4 O10 P2 -","- C12 H26 N4 O10 P2 -","- C24 H52 N8 O20 P4 -","2","0.5","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.0507","0.0435","","","0.1145","0.1213","","","","","","1.04","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511253","22.7176","0.0015","4.5011","0.0003","20.409","0.002","90","","122.834","0.002","90","","1753.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N4 O9 P2 -","- C14 H18 N4 O9 P2 -","- C56 H72 N16 O36 P8 -","4","0.5","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.0635","0.0616","","","0.135","0.1362","","","","","","1.234","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511254","9.0366","0.0005","8.0286","0.0004","10.8628","0.0006","90","","107.809","0.003","90","","750.34","0.07","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N4 O6 P2 -","- C12 H18 N4 O6 P2 -","- C24 H36 N8 O12 P4 -","2","0.5","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.0519","0.0474","","","0.1283","0.1327","","","","","","1.065","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511255","4.8022","0.0005","10.3715","0.001","12.108","0.0011","99.771","0.005","93.061","0.006","99.947","0.005","583.24","0.1","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C16 H30 N4 O8 P2 S2 -","- C16 H30 N4 O8 P2 S2 -","- C16 H30 N4 O8 P2 S2 -","1","0.5","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.0885","0.0796","","","0.2157","0.2222","","","","","","1.097","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511256","7.513","0.002","11.899","0.003","12.077","0.003","95.688","0.013","94.235","0.014","94.317","0.013","1067.7","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C14 H25 N4 O10 P3 S -","- C14 H25 N4 O10 P3 S -","- C28 H50 N8 O20 P6 S2 -","2","1","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.1574","0.1244","","","0.3369","0.3599","","","","","","1.29","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511257","8.4966","0.0004","10.1445","0.0005","15.0176","0.0007","74.608","0.002","81.509","0.001","66.496","0.002","1143.17","0.1","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C42 H50 N8 O10 S6 -","- C42 H50 N8 O10 S6 -","- C42 H50 N8 O10 S6 -","1","0.5","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.0364","0.036","","","0.1001","0.1006","","","","","","1.025","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511258","11.0242","0.0003","12.0925","0.0004","13.6836","0.0004","83.092","0.002","69.498","0.001","68.645","0.002","1591.25","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 Mn2 N8 O14 -","- C72 H60 Mn2 N8 O14 -","- C72 H60 Mn2 N8 O14 -","1","0.5","","Mistri, Soumen; Zangrando, Ennio; Figuerola, Albert; Adhikary, Amit; Konar, Sanjit; Cano, Joan; Manna, Subal Chandra","Syntheses, Crystal Structures, and Magnetic Properties of Metal‒Organic Hybrid Materials of Mn(II)/Co(II): Three-Fold Interpenetrated α-Polonium-like Network in One of Them","Crystal Growth & Design","2014","14","7","3276","","10.1021/cg500162x","","","0.71073","MoKα","","0.1108","0.0603","","","0.1695","0.2036","","","","","","1.039","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511259","7.5539","0.0009","8.4979","0.0008","20.6375","0.0012","87.947","0.011","83.923","0.01","72.251","0.012","1254.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Co N2 O13 -","- C22 H30 Co N2 O13 -","- C44 H60 Co2 N4 O26 -","2","1","","Mistri, Soumen; Zangrando, Ennio; Figuerola, Albert; Adhikary, Amit; Konar, Sanjit; Cano, Joan; Manna, Subal Chandra","Syntheses, Crystal Structures, and Magnetic Properties of Metal‒Organic Hybrid Materials of Mn(II)/Co(II): Three-Fold Interpenetrated α-Polonium-like Network in One of Them","Crystal Growth & Design","2014","14","7","3276","","10.1021/cg500162x","","","0.71073","MoKα","","0.0415","0.0355","","","0.1066","0.1111","","","","","","1.071","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511260","9.721","0.001","10.9804","0.0018","11.479","0.002","97.966","0.01","96.212","0.011","98.244","0.013","1190.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Co N2 O4.5 -","- C24.012 H20 Co N2 O4.5 -","- C48.024 H40 Co2 N4 O9 -","2","1","","Mistri, Soumen; Zangrando, Ennio; Figuerola, Albert; Adhikary, Amit; Konar, Sanjit; Cano, Joan; Manna, Subal Chandra","Syntheses, Crystal Structures, and Magnetic Properties of Metal‒Organic Hybrid Materials of Mn(II)/Co(II): Three-Fold Interpenetrated α-Polonium-like Network in One of Them","Crystal Growth & Design","2014","14","7","3276","","10.1021/cg500162x","","","0.71073","MoKα","","0.1069","0.0626","","","0.1634","0.1855","","","","","","0.975","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511261","14.0339","0.0006","14.0339","0.0006","21.2738","0.001","90","","90","","120","","3628.5","0.3","293","2","293","2","","","","","","","","5","R -3","-R 3","148","Fe-BTC-NMF","","","- C6 H7 Fe N O5 -","- C6 H7 Fe N O5 -","- C108 H126 Fe18 N18 O90 -","18","","","Aiyappa, Harshitha Barike; Saha, Subhadeep; Garai, Bikash; Thote, Jayshri; Kurungot, Sreekumar; Banerjee, Rahul","A Distinctive PdCl2-Mediated Transformation of Fe-Based Metallogels into Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","7","3434","","10.1021/cg500368q","","","0.7107","MoKα","","0.0478","0.0349","","","0.115","0.1363","","","","","","0.93","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511262","19.9724","0.0009","19.9724","0.0009","26.0567","0.0009","90","","90","","120","","9001.4","0.7","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","Fe-Pd-BTC","","","- C22 H4 Fe4 O17 Pd -","- C22 H4 Fe4 O17 Pd -","- C132 H24 Fe24 O102 Pd6 -","6","0.25","","Aiyappa, Harshitha Barike; Saha, Subhadeep; Garai, Bikash; Thote, Jayshri; Kurungot, Sreekumar; Banerjee, Rahul","A Distinctive PdCl2-Mediated Transformation of Fe-Based Metallogels into Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","7","3434","","10.1021/cg500368q","","","0.71073","","","0.1912","0.1344","","","","0.3819","","","","","","1.071","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511263","13.978","0.004","8.0838","0.0019","13.895","0.004","90","","105.158","0.004","90","","1515.4","0.7","98","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 N8 O2 -","- C11 H20 N8 O2 -","- C44 H80 N32 O8 -","4","1","","Li, Peng; Alduhaish, Osamah; Arman, Hadi D.; Wang, Hailong; Alfooty, Khalid; Chen, Banglin","Solvent Dependent Structures of Hydrogen-Bonded Organic Frameworks of 2,6-Diaminopurine","Crystal Growth & Design","2014","14","7","3634","","10.1021/cg500602x","","","0.71073","MoKα","","0.063","0.0577","","","0.1309","0.1344","","","","","","0.992","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511264","18.711","0.003","18.711","0.003","10.843","0.002","90","","90","","120","","3287.6","1","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C5 H6 N6 -","- C5 H6 N6 -","- C90 H108 N108 -","18","1","","Li, Peng; Alduhaish, Osamah; Arman, Hadi D.; Wang, Hailong; Alfooty, Khalid; Chen, Banglin","Solvent Dependent Structures of Hydrogen-Bonded Organic Frameworks of 2,6-Diaminopurine","Crystal Growth & Design","2014","14","7","3634","","10.1021/cg500602x","","","0.71073","MoKα","","0.0997","0.0927","","","0.2186","0.2337","","","","","","1.015","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511265","8.861","0.007","9.424","0.006","9.49","0.006","69.25","0.06","73.03","0.06","73.75","0.06","694.9","0.9","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H8 N6 O -","- C5 H8 N6 O -","- C20 H32 N24 O4 -","4","2","","Li, Peng; Alduhaish, Osamah; Arman, Hadi D.; Wang, Hailong; Alfooty, Khalid; Chen, Banglin","Solvent Dependent Structures of Hydrogen-Bonded Organic Frameworks of 2,6-Diaminopurine","Crystal Growth & Design","2014","14","7","3634","","10.1021/cg500602x","","","0.71073","MoKα","","0.0653","0.0503","","","0.113","0.1241","","","","","","0.999","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511266","17.0914","0.0009","10.509","0.0005","16.5836","0.0008","90","","110.746","0.001","90","","2785.5","0.2","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Ag2 N12 O6 -","- C24 H22 Ag2 N12 O6 -","- C96 H88 Ag8 N48 O24 -","4","1","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.0712","0.0348","","","0.0516","0.0582","","","","","","0.719","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511267","11.58","0.006","10.831","0.006","17.532","0.009","90","","100.36","0.008","90","","2163","2","230","2","230","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Ag2 F6 N10 O6.5 S2 -","- C28 H26 Ag2 F6 N10 O6.5 S2 -","- C56 H52 Ag4 F12 N20 O13 S4 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.1272","0.0768","","","0.2175","0.2533","","","","","","0.984","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511268","8.8841","0.0001","18.3185","0.0002","12.7543","0.0002","90","","99.527","0.001","90","","2047.05","0.05","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Ag2 N12 O6 -","- C32 H38 Ag2 N12 O6 -","- C64 H76 Ag4 N24 O12 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.0802","0.0449","","","0.0927","0.1033","","","","","","0.926","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511269","8.6924","0.0011","24.973","0.003","9.372","0.0012","90","","103.396","0.002","90","","1979.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Ag2 F6 N10 O6 S2 -","- C34 H38 Ag2 F6 N10 O6 S2 -","- C68 H76 Ag4 F12 N20 O12 S4 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.0468","0.0382","","","0.0911","0.0953","","","","","","0.99","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511270","8.674","0.007","24.68","0.02","9.388","0.008","90","","104.689","0.009","90","","1944","3","230","2","230","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Ag2 F4 N10 O4 P2 -","- C32 H38 Ag2 F4 N10 O4 P2 -","- C64 H76 Ag4 F8 N20 O8 P4 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.2368","0.0805","","","0.1775","0.2595","","","","","","0.872","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511271","14.516","0.001","14.916","0.0011","23.296","0.0016","90","","90","","90","","5044.1","0.6","230","2","230","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33.25 H40.5 Ag2 Cl0.5 F12 N10 O0.25 P2 -","- C33.25 H40.5 Ag2 Cl0.5 F12 N10 O0.25 P2 -","- C133 H162 Ag8 Cl2 F48 N40 O P8 -","4","1","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.1509","0.0819","","","0.2013","0.2482","","","","","","0.959","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511272","14.1019","0.0008","14.708","0.0007","23.1792","0.001","90","","90","","90","","4807.6","0.4","230","2","230","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 Ag2 Cl2 N10 O8.25 -","- C33 H40 Ag2 Cl2 N10 O8.25 -","- C132 H160 Ag8 Cl8 N40 O33 -","4","1","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.1675","0.0636","","","0.1483","0.1822","","","","","","0.791","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511273","13.631","0.005","14.877","0.005","14.093","0.005","90","","118.414","0.004","90","","2513.6","1.5","230","2","230","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 Ag2 F12 N10 O2 P2 -","- C40 H58 Ag2 F12 N10 O2 P2 -","- C80 H116 Ag4 F24 N20 O4 P4 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.1897","0.0761","","","0.1968","0.2794","","","","","","0.902","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511274","8.726","0.002","24.848","0.004","9.261","0.002","90","","106.224","0.023","90","","1928","0.7","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Ag2 Cl2 N10 O8 -","- C32 H38 Ag2 Cl2 N10 O8 -","- C64 H76 Ag4 Cl4 N20 O16 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.0791","0.0542","","","0.1458","0.1624","","","","","","1.029","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511275","3.9343","0.0007","5.9336","0.001","12.962","0.004","90","","98.467","0.009","90","","299.29","0.12","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-fluorophenylacetylene","","- C8 H5 F -","- C8 H5 F -","- C16 H10 F2 -","2","1","","Ridout, Joe; Price, Louise S.; Howard, Judith A. K.; Probert, Michael R.","Polymorphism Arising from Differing Rates of Compression of Liquids","Crystal Growth & Design","2014","14","7","3384","","10.1021/cg500331u","","x-ray","0.56087","AgKα","K-L~3~","0.0604","0.0346","","","0.0566","0.063","","","","","","1.181","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511276","7.031","0.004","5.924","0.004","7.441","0.005","90","","103.563","0.017","90","","301.3","0.3","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-fluorophenylacetylene","","- C8 H5 F -","- C8 H5 F -","- C16 H10 F2 -","2","1","","Ridout, Joe; Price, Louise S.; Howard, Judith A. K.; Probert, Michael R.","Polymorphism Arising from Differing Rates of Compression of Liquids","Crystal Growth & Design","2014","14","7","3384","","10.1021/cg500331u","","x-ray","0.56087","AgKα","K-L~3~","0.0804","0.0445","","","0.0853","0.0977","","","","","","1.17","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511277","7.578","0.006","13.024","0.014","6.171","0.005","90","","90","","90","","609.1","1","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","2-fluorophenylacetlyene","","- C8 H5 F -","- C8 H5 F -","- C32 H20 F4 -","4","1","","Ridout, Joe; Price, Louise S.; Howard, Judith A. K.; Probert, Michael R.","Polymorphism Arising from Differing Rates of Compression of Liquids","Crystal Growth & Design","2014","14","7","3384","","10.1021/cg500331u","","x-ray","0.56087","AgKα","K-L~3~","0.0788","0.052","","","0.1069","0.1194","","","","","","1.168","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511278","4.9328","0.001","10.137","0.002","29.718","0.006","90","","90","","90","","1486","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 F O6 Zn -","- C16 H11 F O6 Zn -","- C64 H44 F4 O24 Zn4 -","4","1","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.1122","0.0989","","","0.2811","0.2981","","","","","","1.137","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511279","10.3254","0.0003","17.7175","0.0006","14.3986","0.0004","90","","95.878","0.002","90","","2620.23","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H54 F2 N8 O14 Zn2 -","- C52 H54 F2 N8 O14 Zn2 -","- C104 H108 F4 N16 O28 Zn4 -","2","1","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.0603","0.0456","","","0.1003","0.1089","","","","","","1.014","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511280","10.4408","0.0008","18.2171","0.0012","15.714","0.0011","90","","98.588","0.007","90","","2955.3","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H27 F N4 O7 Zn -","- C30 H27 F N4 O7 Zn -","- C120 H108 F4 N16 O28 Zn4 -","4","2","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.0896","0.0534","","","0.1243","0.1473","","","","","","1.013","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511281","10.7914","0.0003","15.8162","0.0004","17.8982","0.0006","90","","90","","90","","3054.85","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30.5 H28 F N4 O7 Zn -","- C30.5 H27 F N4 O7 Zn -","- C122 H108 F4 N16 O28 Zn4 -","4","1","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.0776","0.056","","","0.1445","0.1599","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511282","13.068","0.003","15.168","0.003","17.457","0.004","90","","90","","90","","3460.2","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73 H62 F2 N8 O13 Zn2 -","- C73 H58 F2 N8 O13 Zn2 -","- C146 H116 F4 N16 O26 Zn4 -","2","0.5","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.0671","0.0497","","","0.1312","0.142","","","","","","1.037","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511283","8.99","0.002","12.728","0.003","13.252","0.003","91.192","0.004","92.755","0.004","109.691","0.004","1424.9","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H60 Co3 N12 O21 -","- C54 H54 Co3 N12 O18 -","- C54 H54 Co3 N12 O18 -","1","0.5","","Rachuri, Yadagiri; Bisht, Kamal Kumar; Suresh, Eringathodi","Two-Dimensional Coordination Polymers Comprising Mixed Tripodal Ligands for Selective Colorimetric Detection of Water and Iodine Capture","Crystal Growth & Design","2014","14","7","3300","","10.1021/cg500188n","","","0.71073","MoKα","","0.0945","0.0644","","","0.148","0.1609","","","","","","0.964","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511284","8.7506","0.0015","10.73","0.0018","18.933","0.003","92.997","0.003","103.096","0.003","102.456","0.003","1681.1","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H58 Cu3 N12 O21 -","- C54 H46 Cu3 N12 O16 -","- C54 H46 Cu3 N12 O16 -","1","0.5","","Rachuri, Yadagiri; Bisht, Kamal Kumar; Suresh, Eringathodi","Two-Dimensional Coordination Polymers Comprising Mixed Tripodal Ligands for Selective Colorimetric Detection of Water and Iodine Capture","Crystal Growth & Design","2014","14","7","3300","","10.1021/cg500188n","","","0.71073","MoKα","","0.0713","0.0545","","","0.1254","0.1329","","","","","","1.029","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511285","7.1589","0.0001","4.6915","0.0001","9.8014","0.0001","90","","90","","90","","329.19","0.009","100","2","100","2","","","","","","","","1","C m c e","-C 2ac 2","64","","","","- I2 -","- I2 -","- I8 -","4","0.25","","Bertolotti, Federica; Shishkina, Anastasia V.; Forni, Alessandra; Gervasio, Giuliana; Stash, Adam I.; Tsirelson, Vladimir G.","Intermolecular Bonding Features in Solid Iodine","Crystal Growth & Design","2014","14","7","3587","","10.1021/cg5005159","","","0.71073","MoKα","","0.022","0.0135","","","","0.0257","0.0172","","","","","1.04","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4511286","26.9301","0.0005","18.769","0.0004","11.8275","0.0003","90","","103.076","0.001","90","","5823.2","0.2","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 F3 N4 O6 -","- C28 H31 F3 N4 O6 -","- C224 H248 F24 N32 O48 -","8","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.07","","","","0.216","","","","","","1.101","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511287","11.623","0.0002","18.7138","0.0004","25.8604","0.0005","90","","100.62","0.0007","90","","5528.56","0.19","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 F3 N4 O6 -","- C28 H31 F3 N4 O6 -","- C224 H248 F24 N32 O48 -","8","2","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0581","","","","0.1793","","","","","","1.138","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511288","26.5176","0.0005","18.4139","0.0004","11.9808","0.0003","90","","101.5","0.0007","90","","5732.7","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 F3 N4 O6 -","- C28 H31 F3 N4 O6 -","- C224 H248 F24 N32 O48 -","8","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0566","","","","0.1592","","","","","","1.063","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511289","13.1698","0.0003","12.182","0.0003","18.9898","0.0005","90","","97.26","0.0011","90","","3022.19","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 F3 N4 O7 -","- C30 H37 F3 N4 O7 -","- C120 H148 F12 N16 O28 -","4","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0845","","","","0.2632","","","","","","1.035","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511290","9.8775","0.0003","13.1864","0.0004","13.4772","0.0004","64.1344","0.0014","84.4473","0.0014","74.7636","0.0014","1523.69","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H37 F3 N4 O7 -","- C31 H37 F3 N4 O7 -","- C62 H74 F6 N8 O14 -","2","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0737","","","","0.1919","","","","","","0.908","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511291","9.997","0.0003","13.0749","0.0003","13.4367","0.0003","63.551","0.0012","84.122","0.0012","75.542","0.0012","1522.6","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 F3 N4 O6 -","- C28 H31 F3 N4 O6 -","- C56 H62 F6 N8 O12 -","2","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0803","","","","0.2454","","","","","","0.962","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511292","10.41717","0.00019","11.4906","0.0003","13.219","0.0003","80.8342","0.0012","80.6465","0.0012","82.4192","0.0012","1532.18","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H39 F3 N4 O7 -","- C32 H39 F3 N4 O7 -","- C64 H78 F6 N8 O14 -","2","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0611","","","","0.1871","","","","","","1.07","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511293","10.7573","0.0003","11.4193","0.0004","13.7386","0.0004","74.026","0.0016","83.878","0.0014","80.058","0.0015","1595.01","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 F3 N4 O6 -","- C28 H31 F3 N4 O6 -","- C56 H62 F6 N8 O12 -","2","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0591","","","","0.1602","","","","","","1","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511294","21.788","0.0002","21.788","0.0002","23.621","0.0002","90","","90","","90","","11213.3","0.17","293","2","293","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C68 H64 Cd3 N4 O30 -","- C60 H24 Cd3 O30 -","- C240 H96 Cd12 O120 -","4","0.25","","He, Yuan-Chun; Zhang, Hong-Mei; Liu, Ying-Ying; Zhai, Qiu-Yi; Shen, Qiu-Tong; Song, Shu-Yan; Ma, Jian-Fang","Luminescent Anionic Metal‒Organic Framework with Potential Nitrobenzene Sensing","Crystal Growth & Design","2014","14","7","3174","","10.1021/cg5004353","","","0.71069","MoKα","","0.0853","0.0618","","","0.1693","0.1853","","","","","","1.074","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511295","14.3396","0.0007","3.6211","0.0002","10.6131","0.0005","90","","101.044","0.0007","90","","540.88","0.05","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C20 H20 N12 O4 -","4","1","","Jarzembska, Katarzyna N.; Hoser, Anna A.; Kamiński, Radosław; Madsen, Anders Ø.; Durka, Krzysztof; Woźniak, Krzysztof","Combined Experimental and Computational Studies of Pyrazinamide and Nicotinamide in the Context of Crystal Engineering and Thermodynamics","Crystal Growth & Design","2014","14","7","3453","","10.1021/cg500376z","","","0.71073","MoKα","","0.0212","0.0153","","","0.0237","0.0237","","","","","","1.185","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511296","3.8563","0.0001","15.6302","0.0005","9.3702","0.0003","90","","98.188","0.0006","90","","559.03","0.03","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Jarzembska, Katarzyna N.; Hoser, Anna A.; Kamiński, Radosław; Madsen, Anders Ø.; Durka, Krzysztof; Woźniak, Krzysztof","Combined Experimental and Computational Studies of Pyrazinamide and Nicotinamide in the Context of Crystal Engineering and Thermodynamics","Crystal Growth & Design","2014","14","7","3453","","10.1021/cg500376z","","","0.71073","MoKα","","0.02","0.0147","","","0.0226","0.0226","","","","","","1.141","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511297","16.274","0.01","7.323","0.005","36.49","0.02","90","","94.22","0.008","90","","4337","5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C59 H50 N O -","- C59 H50 N O -","- C236 H200 N4 O4 -","4","1","","Staehle, Ira O.; Rodríguez-Molina, Braulio; Khan, Saeed I.; Garcia-Garibay, Miguel A.","Engineered Photochromism in Crystalline Salicylidene Anilines by Facilitating Rotation to Reach the Coloredtrans-Keto Form","Crystal Growth & Design","2014","14","7","3667","","10.1021/cg500762a","","","0.71073","MoKα","","0.1385","0.0943","","","0.2172","0.2398","","","","","","1.109","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511298","9.5933","0.0005","9.795","0.0005","23.4843","0.0013","99.652","0.001","94.184","0.001","100.588","0.0011","2126.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Compound 2","","","- C56 H40 Cl2 N O -","- C56 H40 Cl2 N O -","- C112 H80 Cl4 N2 O2 -","2","1","","Staehle, Ira O.; Rodríguez-Molina, Braulio; Khan, Saeed I.; Garcia-Garibay, Miguel A.","Engineered Photochromism in Crystalline Salicylidene Anilines by Facilitating Rotation to Reach the Coloredtrans-Keto Form","Crystal Growth & Design","2014","14","7","3667","","10.1021/cg500762a","","","0.71073","MoKα","","0.0575","0.0449","","","0.1101","0.1181","","","","","","1.008","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511299","11.7103","0.0003","67.481","0.002","9.4377","0.0003","90","","104.188","0.0017","90","","7230.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H74 N6 O3 -","- C93 H74 N6 O3 -","- C372 H296 N24 O12 -","4","1","","Staehle, Ira O.; Rodríguez-Molina, Braulio; Khan, Saeed I.; Garcia-Garibay, Miguel A.","Engineered Photochromism in Crystalline Salicylidene Anilines by Facilitating Rotation to Reach the Coloredtrans-Keto Form","Crystal Growth & Design","2014","14","7","3667","","10.1021/cg500762a","","","1.54178","CuKα","","0.0773","0.0654","","","0.1719","0.1793","","","","","","1.067","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511300","58.6098","0.0012","7.5624","0.0002","10.7139","0.0004","90","","97.989","0.002","90","","4702.6","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Stanozolol / D-phenyllactic acid cocrystal","(R)-2-hydroxy-3-phenylpropanoic acid compound with acetonitrile and (1S,10aS,12aS)-1,10a,12a-trimethyl- 1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta [5,6]naphtho[1,2-f]indazol-1-ol (1:1:2)","","- C53 H77 N5 O5 -","- C53 H77 N5 O5 -","- C212 H308 N20 O20 -","4","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","How Cocrystallization Affects Solid-State Tautomerism: Stanozolol Case Study","Crystal Growth & Design","2014","14","7","3408","","10.1021/cg500358h","","","1.54184","CuKα","","0.096","0.0837","","","0.2139","0.2237","","","","","","1.086","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511301","10.6644","0.0007","7.2335","0.0005","15.0947","0.001","90","","106.016","0.007","90","","1119.22","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Stanozolol / malonic acid cocrystal","(1S,10aS,12aS)-1,10a,12a-trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol malonic acid","","- C24 H36 N2 O5 -","- C24 H36 N2 O5 -","- C48 H72 N4 O10 -","2","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","How Cocrystallization Affects Solid-State Tautomerism: Stanozolol Case Study","Crystal Growth & Design","2014","14","7","3408","","10.1021/cg500358h","","","0.71073","MoKα","","0.0524","0.0456","","","0.1053","0.1096","","","","","","1.021","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511302","7.953","0.0006","8.6403","0.0007","10.4582","0.0007","83.337","0.006","86.973","0.006","75.431","0.007","690.63","0.09","293","2","293","2","","","","","","","","4","P 1","P 1","1","Stanozolol / 6-hydroxy-2-naphthoic acid","1S,10aS,12aS)-1,10a,12a-trimethyl- 1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a- hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol 6-hydroxy-2-naphthoic acid","","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","1","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","How Cocrystallization Affects Solid-State Tautomerism: Stanozolol Case Study","Crystal Growth & Design","2014","14","7","3408","","10.1021/cg500358h","","","0.71073","MoKα","","0.0537","0.0465","","","0.1025","0.1073","","","","","","1.032","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511364","5.6081","0.0014","17.574","0.004","23.186","0.006","90","","90","","90","","2285.1","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0755","0.0487","","","0.1017","0.1115","","","","","","0.906","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511365","15.153","0.003","5.9037","0.0014","15.808","0.004","90","","115.745","0.003","90","","1273.8","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N O5 -","- C27 H35 N O5 -","- C54 H70 N2 O10 -","2","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0806","0.0679","","","0.1747","0.1846","","","","","","0.992","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511366","5.608","0.0011","17.552","0.004","23.94","0.005","90","","90","","90","","2356.5","0.9","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0651","0.0586","","","0.1428","0.1464","","","","","","1.01","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511367","5.6887","0.001","17.493","0.003","24.11","0.004","90","","90","","90","","2399.2","0.7","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H32 N O5 -","- C104 H128 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.116","0.0504","","","0.1056","0.1222","","","","","","0.822","","","","has coordinates,has disorder","179660","2020-10-21","18:00:00",""
"4511368","5.9143","0.0019","16.418","0.005","23.943","0.008","90","","90","","90","","2324.9","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1067","0.0843","","","0.1903","0.2025","","","","","","1.08","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511369","6.0401","0.0012","16.22","0.003","24.531","0.005","90","","90","","90","","2403.3","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1461","0.0552","","","0.1052","0.1269","","","","","","0.764","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511370","5.9155","0.0008","16.456","0.002","24.607","0.003","90","","90","","90","","2395.4","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H32 N O5 -","- C104 H128 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0749","0.0685","","","0.189","0.1955","","","","","","1.024","","","","has coordinates,has disorder","179660","2020-10-21","18:00:00",""
"4511371","14.998","0.004","5.9003","0.0014","15.904","0.004","90","","115.428","0.002","90","","1271","0.6","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N O5 -","- C27 H30 N O5 -","- C54 H60 N2 O10 -","2","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0967","0.083","","","0.2037","0.2141","","","","","","0.998","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511372","5.85","0.005","11.722","0.005","30.617","0.005","90","0.005","90","0.005","90","0.005","2100","2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O6 -","- C23 H27 N O6 -","- C92 H108 N4 O24 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71069","MoKα","","0.289","0.0627","","","0.1291","0.1903","","","","","","0.776","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511373","5.94","0.003","16.522","0.008","23.753","0.012","90","","90","","90","","2331","2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0973","0.0722","","","0.1795","0.198","","","","","","1.096","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511374","5.9321","0.0016","16.378","0.004","22.766","0.006","90","","90","","90","","2211.9","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1043","0.0879","","","0.1926","0.2144","","","","","","1.08","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511375","5.5978","0.0014","17.721","0.004","24.372","0.006","90","","90","","90","","2417.7","1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1546","0.057","","","0.1128","0.1388","","","","","","0.736","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511376","13.037","0.003","5.7396","0.0011","16.663","0.003","90","","109.786","0.002","90","","1173.2","0.4","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C50 H62 N2 O10 -","2","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0938","0.0751","","","0.1827","0.1953","","","","","","0.956","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511377","5.8583","0.0011","16.932","0.003","24.245","0.004","90","","90","","90","","2404.9","0.7","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1116","0.0581","","","0.1146","0.1327","","","","","","0.788","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511378","25.011","0.02","5.734","0.004","17.66","0.014","90","","125.098","0.009","90","","2072","3","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H27 N O5 -","- C23 H27 N O5 -","- C92 H108 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1698","0.0905","","","0.2265","0.2554","","","","","","0.927","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511379","5.3357","0.0005","14.5791","0.0012","27.62","0.002","90","","90","","90","","2148.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0542","0.0521","","","0.1351","0.1372","","","","","","1.03","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511380","14.6875","0.0018","5.8302","0.0007","16.291","0.002","90","","116.784","0.002","90","","1245.3","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C52 H66 N2 O10 -","2","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0916","0.0793","","","0.2135","0.2246","","","","","","1.031","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511381","16.429","0.004","5.83","0.0014","25.749","0.006","90","","101.226","0.003","90","","2419.1","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","2","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0996","0.0611","","","0.141","0.162","","","","","","0.928","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511382","26.535","0.005","26.535","0.005","20.282","0.005","90","0.005","90","0.005","120","0.005","12367","5","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H228 I2 N12 O30 Sn6 -","- C120 H228 I2 N12 O30 Sn6 -","- C360 H684 I6 N36 O90 Sn18 -","3","0.166667","","Mohapatra, Chandrajeet; Tripathi, Sarita; Anantharaman, Ganapathi; Chandrasekhar, Vadapalli","A Hexameric Hexagonal Organotin Macrocycle. Supramolecular Entrapment of an Iodide‒Iodide Short Contact","Crystal Growth & Design","2014","14","7","3182","","10.1021/cg500633n","","","0.71073","MoKα","","0.0982","0.081","","","0.2156","0.2342","","","","","","1.032","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511383","29.311","0.003","5.9604","0.0005","21.7006","0.0019","90","","94.511","0.002","90","","3779.5","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H36 Cd F3 N3 O5 -","- C47 H36 Cd F3 N3 O5 -","- C188 H144 Cd4 F12 N12 O20 -","4","0.5","","Medishetty, Raghavender; Tandiana, Rika; Vittal, Jagadese J.","Stepwise Host‒Guest [2 + 2] Photoreaction in a Hydrogen-Bonded One-Dimensional Coordination Polymer to a Two-Dimensional Layered Structure","Crystal Growth & Design","2014","14","7","3186","","10.1021/cg500641m","","","0.71073","MoKα","","0.0558","0.0484","","","0.1213","0.1311","","","","","","1.094","","","","has coordinates,has disorder","179660","2020-10-21","18:00:00",""
"4511384","41.702","0.005","9.8988","0.0013","18.444","0.002","90","","103.422","0.003","90","","7405.7","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H60 Cd3 F2 N6 O16 -","- C62 H60 Cd3 F2 N6 O16 -","- C248 H240 Cd12 F8 N24 O64 -","4","0.5","","Medishetty, Raghavender; Tandiana, Rika; Vittal, Jagadese J.","Stepwise Host‒Guest [2 + 2] Photoreaction in a Hydrogen-Bonded One-Dimensional Coordination Polymer to a Two-Dimensional Layered Structure","Crystal Growth & Design","2014","14","7","3186","","10.1021/cg500641m","","","0.71073","MoKα","","0.1403","0.0862","","","0.2212","0.2525","","","","","","1.022","","","","has coordinates,has disorder","179660","2020-10-21","18:00:00",""
"4511385","11.7447","0.0011","21.5208","0.0019","28.109","0.003","90","","90","","90","","7104.7","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H33 Cd N5 O10 -","- C37 H33 Cd N5 O10 -","- C296 H264 Cd8 N40 O80 -","8","1","","Medishetty, Raghavender; Tandiana, Rika; Vittal, Jagadese J.","Stepwise Host‒Guest [2 + 2] Photoreaction in a Hydrogen-Bonded One-Dimensional Coordination Polymer to a Two-Dimensional Layered Structure","Crystal Growth & Design","2014","14","7","3186","","10.1021/cg500641m","","","0.71073","MoKα","","0.0767","0.0547","","","0.1057","0.1136","","","","","","1.089","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511386","12.1134","0.001","9.2965","0.0008","12.0316","0.001","90","","100.35","0.002","90","","1332.86","0.19","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 Cu N O5 -","- C11 H17 Cu N O5 -","- C44 H68 Cu4 N4 O20 -","4","1","","Dias, Sara S. P.; André, Vânia; Kłak, Julia; Duarte, M. Teresa; Kirillov, Alexander M.","Topological Diversity of Supramolecular Networks Constructed from Copper(II) Aminoalcohol Blocks and 2,6-Naphthalenedicarboxylate Linkers: Self-Assembly Synthesis, Structural Features, and Magnetic Properties","Crystal Growth & Design","2014","14","7","3398","","10.1021/cg500716d","","","0.71073","MoKα","","0.0637","0.0398","","","0.0978","0.112","","","","","","1.054","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511387","8.7497","0.0001","9.2024","0.0002","16.6861","0.0002","88.893","0.001","79.897","0.001","64.008","0.001","1186.4","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H68 Cu2 N4 O20 -","- C44 H68 Cu2 N4 O20 -","- C44 H68 Cu2 N4 O20 -","1","0.5","","Dias, Sara S. P.; André, Vânia; Kłak, Julia; Duarte, M. Teresa; Kirillov, Alexander M.","Topological Diversity of Supramolecular Networks Constructed from Copper(II) Aminoalcohol Blocks and 2,6-Naphthalenedicarboxylate Linkers: Self-Assembly Synthesis, Structural Features, and Magnetic Properties","Crystal Growth & Design","2014","14","7","3398","","10.1021/cg500716d","","","0.71069","MoKα","","0.0618","0.0434","","","0.1115","0.1174","","","","","","1.128","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511388","12.7095","0.0006","8.7854","0.0006","12.0498","0.0007","90","","101.689","0.002","90","","1317.55","0.13","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Cu N O5 -","- C10 H17 Cu N O5 -","- C40 H68 Cu4 N4 O20 -","4","1","","Dias, Sara S. P.; André, Vânia; Kłak, Julia; Duarte, M. Teresa; Kirillov, Alexander M.","Topological Diversity of Supramolecular Networks Constructed from Copper(II) Aminoalcohol Blocks and 2,6-Naphthalenedicarboxylate Linkers: Self-Assembly Synthesis, Structural Features, and Magnetic Properties","Crystal Growth & Design","2014","14","7","3398","","10.1021/cg500716d","","","0.71069","MoKα","","0.0644","0.0428","","","0.0973","0.1057","","","","","","1.069","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511389","7.7386","0.0008","8.5225","0.0008","13.6748","0.0015","85.096","0.005","85.617","0.005","63.198","0.004","801.32","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Cu N O5 -","- C14 H23 Cu N O5 -","- C28 H46 Cu2 N2 O10 -","2","1","","Dias, Sara S. P.; André, Vânia; Kłak, Julia; Duarte, M. Teresa; Kirillov, Alexander M.","Topological Diversity of Supramolecular Networks Constructed from Copper(II) Aminoalcohol Blocks and 2,6-Naphthalenedicarboxylate Linkers: Self-Assembly Synthesis, Structural Features, and Magnetic Properties","Crystal Growth & Design","2014","14","7","3398","","10.1021/cg500716d","","","0.71073","MoKα","","0.0692","0.0567","","","0.1397","0.1499","","","","","","1.055","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511390","24.1972","0.0016","5.1143","0.0003","17.6687","0.0012","90","","121.267","0.001","90","","1869","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H13 N O -","- C10 H13 N O -","- C80 H104 N8 O8 -","8","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","0.71073","MoKα","","0.053","0.0412","","","0.1123","0.1185","","","","","","1.001","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511391","5.1916","0.0001","9.4525","0.0002","10.0367","0.0002","96.326","0.001","102.938","0.001","104.998","0.001","456.226","0.016","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O -","- C10 H13 N O -","- C20 H26 N2 O2 -","2","2","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.0323","0.0321","","","0.0815","0.0818","","","","","","1","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511392","5.1941","0.0001","9.4531","0.0001","10.0232","0.0001","96.343","0.001","102.945","0.001","104.938","0.001","455.971","0.012","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O -","- C10 H13 N O -","- C20 H26 N2 O2 -","2","2","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.029","0.0288","","","0.075","0.0755","","","","","","1.001","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511393","7.3699","0.0009","22.592","0.003","11.7988","0.0015","90","","90.308","0.002","90","","1964.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C88 H88 N8 O16 -","8","2","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","0.71073","MoKα","","0.0637","0.049","","","0.1314","0.1406","","","","","","1.002","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511394","6.70721","0.00007","7.01427","0.00007","10.01819","0.0001","90","","102.64","0.0003","90","","459.895","0.008","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C22 H22 N2 O4 -","2","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.0266","0.0266","","","0.0686","0.0686","","","","","","1.006","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511395","6.7076","0.0005","7.0112","0.0005","10.021","0.0007","90","","102.635","0.002","90","","459.86","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C22 H22 N2 O4 -","2","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.0257","0.0257","","","0.0688","0.0688","","","","","","1.002","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511396","6.7078","0.0001","7.1693","0.0001","19.0492","0.0003","90","","90","","90","","916.08","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.0258","0.0258","","","0.0647","0.0647","","","","","","1.002","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511397","6.7089","0.0001","7.1714","0.0001","19.048","0.0002","90","","90","","90","","916.44","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.025","0.0249","","","0.0624","0.0624","","","","","","1.002","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511398","33.1272","0.0012","65.1158","0.001","19.1804","0.0003","90","","90","","90","","41374.1","1.8","100","0.11","100","0.11","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H8 O16 S4 Zn3 -","- C24 O16 S4 Zn3 -","- C768 O512 S128 Zn96 -","32","1","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Organic Cation Templated Synthesis of Three Zinc‒2,5-Thiophenedicarboxylate Frameworks for Selective Gas Sorption","Crystal Growth & Design","2014","14","7","3493","","10.1021/cg500436g","","","0.71073","MoKα","","0.1258","0.1166","","","0.2954","0.3022","","","","","","1.042","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511399","14.6561","0.0005","23.4491","0.0006","16.0392","0.0007","90","","90","","90","","5512.2","0.3","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C24 H8 O16 S4 Zn3 -","- C24 H8 O16 S4 Zn3 -","- C96 H32 O64 S16 Zn12 -","4","1","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Organic Cation Templated Synthesis of Three Zinc‒2,5-Thiophenedicarboxylate Frameworks for Selective Gas Sorption","Crystal Growth & Design","2014","14","7","3493","","10.1021/cg500436g","","","0.71073","MoKα","","0.0467","0.0387","","","0.1078","0.1121","","","","","","1.025","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511400","15.5168","0.0007","16.779","0.0008","18.7394","0.0011","94.142","0.004","113.527","0.005","110.215","0.004","4070.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 N6 O38 S8 Zn7 -","- C66 H58 N6 O38 S8 Zn7 -","- C66 H58 N6 O38 S8 Zn7 -","1","0.5","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Organic Cation Templated Synthesis of Three Zinc‒2,5-Thiophenedicarboxylate Frameworks for Selective Gas Sorption","Crystal Growth & Design","2014","14","7","3493","","10.1021/cg500436g","","","0.71073","MoKα","","0.0793","0.0518","","","0.1248","0.1352","","","","","","0.892","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511401","7.813","0.0007","7.9406","0.0007","11.6727","0.001","100.09","0.001","95.843","0.001","99.374","0.001","697.09","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Co N3 O6 -","- C14 H12 Co N3 O6 -","- C28 H24 Co2 N6 O12 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0351","0.0322","","","0.0962","0.0983","","","","","","1.006","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511402","18.793","0.003","19.363","0.003","14.588","0.0019","90","","119.792","0.002","90","","4606.8","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 Co N5 O8 -","- C21 H21 Co N5 O8 -","- C168 H168 Co8 N40 O64 -","8","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0638","0.0435","","","0.1198","0.1322","","","","","","1.024","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511403","14.9376","0.0012","10.3231","0.0008","20.0556","0.0015","90","","111.065","0.001","90","","2886","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Co N3 O6 -","- C15 H14 Co N3 O6 -","- C120 H112 Co8 N24 O48 -","8","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0497","0.043","","","0.1341","0.1383","","","","","","1.04","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511404","8.5578","0.0013","10.1318","0.0015","11.8526","0.0017","69.808","0.002","78.753","0.003","74.67","0.002","924.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Co N3 O8 -","- C16 H20 Co N3 O8 -","- C32 H40 Co2 N6 O16 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0679","0.0471","","","0.1131","0.1247","","","","","","1.034","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511405","23.8537","0.0017","10.4096","0.0007","19.8203","0.0013","90","","90.172","0.002","90","","4921.5","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 Co N5 O6 -","- C25 H25 Co N5 O6 -","- C200 H200 Co8 N40 O48 -","8","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0336","0.0275","","","0.0697","0.0721","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511406","10.1586","0.0004","10.22","0.0005","12.7787","0.0006","79.125","0.001","71.981","0.001","72.383","0.001","1195.83","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Co N4 O9 -","- C23 H19 Co N4 O9 -","- C46 H38 Co2 N8 O18 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0378","0.0357","","","0.1084","0.11","","","","","","1.043","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511407","9.5278","0.0007","10.1157","0.0007","17.7684","0.0013","97.959","0.006","90.3","0.006","110.198","0.007","1589.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H38 Co N4 O12 -","- C29 H37 Co N4 O12 -","- C58 H74 Co2 N8 O24 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0748","0.0558","","","0.1523","0.1685","","","","","","1.007","","","","has coordinates,has disorder","179661","2020-10-21","18:00:00",""
"4511408","19.286","0.004","19.445","0.004","14.322","0.003","90","","121.182","0.003","90","","4595","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Co N4 O8 -","- C21 H19 Co N4 O8 -","- C168 H152 Co8 N32 O64 -","8","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0545","0.0367","","","0.1001","0.1085","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511409","10.1112","0.0019","15.943","0.003","16.764","0.003","111.325","0.003","103.68","0.004","102.598","0.003","2303.8","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 Co2 N8 O16 -","- C44 H44 Co2 N8 O16 -","- C88 H88 Co4 N16 O32 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.1018","0.0602","","","0.1434","0.1615","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511410","11.1531","0.0013","12.9963","0.0015","13.4198","0.0015","75.916","0.002","75.109","0.002","70.039","0.002","1740.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H39 Co2 N6 O12 -","- C32 H39 Co2 N6 O12 -","- C64 H78 Co4 N12 O24 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0787","0.0489","","","0.103","0.111","","","","","","1.009","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511411","18.485","0.003","8.2738","0.0015","8.26","0.0015","90","","114.461","0.002","90","","1149.9","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 O8 P2 Zn -","- C4 H14 O8 P2 Zn -","- C16 H56 O32 P8 Zn4 -","4","0.5","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.71073","MoKα","","0.019","0.0177","","","0.0461","0.0468","","","","","","1.12","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511412","20.388","0.004","8.2663","0.0013","8.1857","0.0013","90","","102.72","0.013","90","","1345.7","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H18 O8 P2 Zn -","- C6 H18 O8 P2 Zn -","- C24 H72 O32 P8 Zn4 -","4","0.5","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.71073","MoKα","","0.052","0.035","","","0.0765","0.0856","","","","","","1.037","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511413","8.595","0.007","5.056","0.004","18.096","0.015","90","","93.344","0.009","90","","785","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H8 O6 P2 Zn -","- C3 H8 O6 P2 Zn -","- C12 H32 O24 P8 Zn4 -","4","1","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.7749","synchrotron","","0.0327","0.0289","","","0.0778","0.0794","","","","","","1.084","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511414","8.651","0.002","5.0283","0.0012","22.598","0.005","90","","93.046","0.003","90","","981.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H12 O6 P2 Zn -","- C5 H12 O6 P2 Zn -","- C20 H48 O24 P8 Zn4 -","4","1","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.7749","synchrotron","","0.0479","0.0357","","","0.0892","0.0936","","","","","","1.049","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511415","19.397","0.003","27.62","0.005","5.1655","0.0009","90","","90","","90","","2767.4","0.8","100","","100","2","","","","","","","","5","P m m n","-P 2ab 2a","59","","","","- C6 H22 O16 P4 Zn3 -","- C6 H14 O16 P4 Zn3 -","- C24 H56 O64 P16 Zn12 -","4","","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","x-ray","0.7749","synchrotron","","0.0491","0.045","","","0.1188","0.1212","","","","","","1.062","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511416","24.408","0.004","27.827","0.005","5.1509","0.0007","90","","90","","90","","3498.5","1","110","","110","2","","","","","","","","5","P m m n","-P 2ab 2a","59","","","","- C10 H30 O16 P4 Zn3 -","- C10 H22 O16 P4 Zn3 -","- C40 H88 O64 P16 Zn12 -","4","","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.71073","MoKα","","0.0918","0.0613","","","0.1504","0.1608","","","","","","1.027","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511417","21.775","0.004","4.8267","0.0008","9.5273","0.0017","90","","95.233","0.002","90","","997.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H9 O6 P2 Zn2 -","- C5 H9 O6 P2 Zn2 -","- C20 H36 O24 P8 Zn8 -","4","0.5","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.7749","synchrotron","","0.0348","0.0335","","","0.0894","0.0907","","","","","","1.078","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511418","8.685","0.0013","9.9739","0.0015","12.8831","0.0019","100.409","0.002","104.701","0.002","90.945","0.002","1059.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 O12 P4 Zn3 -","- C12 H26 O12 P4 Zn3 -","- C24 H52 O24 P8 Zn6 -","2","1","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.7749","synchrotron","","0.0436","0.0354","","","0.0977","0.1017","","","","","","1.092","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511419","10.5536","0.0009","17.313","0.0011","10.3937","0.0007","90","","99.502","0.005","90","","1873","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H42 O26 P6 Zn5 -","- C12 H38 O26 P6 Zn5 -","- C24 H76 O52 P12 Zn10 -","2","0.5","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.71073","MoKα","","0.1543","0.1187","","","0.3012","0.3346","","","","","","1.279","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511420","23.215","0.005","17.112","0.005","10.343","0.002","90","","94.529","0.01","90","","4096","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H52 O28 P6 Zn5 -","- C17 H44 O27 P6 Zn5 -","- C68 H176 O108 P24 Zn20 -","4","1","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.6888","synchrotron","","0.084","0.0614","","","0.1575","0.1725","","","","","","1.017","","","","has coordinates,has disorder","179661","2020-10-21","18:00:00",""
"4511421","13.045","0.002","17.192","0.003","10.3905","0.0018","90","","96.914","0.003","90","","2313.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H58 O28 P6 Zn5 -","- C20 H50 O28 P6 Zn5 -","- C40 H100 O56 P12 Zn10 -","2","0.5","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.7749","synchrotron","","0.0822","0.0476","","","0.1112","0.1261","","","","","","0.999","","","","has coordinates,has disorder","179661","2020-10-21","18:00:00",""
"4511422","52.533","0.004","28.74","0.002","16.9133","0.0014","90","","98.472","0.001","90","","25257","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H116 Ce4 N22 O39 -","- C75 H51 Ce4 N13 O30 -","- C600 H408 Ce32 N104 O240 -","8","1","","Ayhan, Ozan; Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Baca, Svetlana G.; Kögerler, Paul","Assembly of Cerium(III) 2,2′-Bipyridine-5,5′-dicarboxylate-based Metal‒Organic Frameworks by Solvent Tuning","Crystal Growth & Design","2014","14","7","3541","","10.1021/cg500815v","","","0.71073","MoKα","","0.1155","0.0901","","","0.2362","0.2567","","","","","","0.893","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511423","27.541","0.006","11.126","0.002","16.991","0.003","90","","99.01","0.03","90","","5142.2","1.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Ce2 N10 O17 -","- C48 H48 Ce2 N10 O17 -","- C192 H192 Ce8 N40 O68 -","4","1","","Ayhan, Ozan; Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Baca, Svetlana G.; Kögerler, Paul","Assembly of Cerium(III) 2,2′-Bipyridine-5,5′-dicarboxylate-based Metal‒Organic Frameworks by Solvent Tuning","Crystal Growth & Design","2014","14","7","3541","","10.1021/cg500815v","","","0.71073","MoKα","","0.1056","0.0922","","","0.2025","0.2097","","","","","","1.165","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511424","27.1979","0.0009","27.1979","0.0009","15.4999","0.0004","90","","90","","120","","9929.6","0.5","293","2","293","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","[Tetrakis(mu-adenine-kN3:kN9)bis(bromido)dicopper(II)]bromide- methanol (1/2)]","","- C22 H28 Br4 Cu2 N20 O2 -","- C20 H20 Br4 Cu2 N20 -","- C180 H180 Br36 Cu18 N180 -","9","0.25","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Fröba, Michael; Hoffmann, Frank; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Paddle-Wheel Shaped Copper(II)-Adenine Discrete Entities As Supramolecular Building Blocks To Afford Porous Supramolecular Metal‒Organic Frameworks (SMOFs)","Crystal Growth & Design","2014","14","8","4019","","10.1021/cg500634y","","","0.71073","MoKα","","0.1112","0.0927","","","0.2997","0.3107","","","","","","1.234","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511425","22.2245","0.0018","13.8069","0.001","7.0204","0.0006","90","","108.28","0.006","90","","2045.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(mu-adenine-kN3:kN9)bis(mu-chlorido)di(chlorido)dicopper(II)]- (methanol) (1/2)]","","- C12 H18 Cl4 Cu2 N10 O2 -","- C12 H10 Cl4 Cu2 N10 O2 -","- C48 H40 Cl16 Cu8 N40 O8 -","4","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Fröba, Michael; Hoffmann, Frank; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Paddle-Wheel Shaped Copper(II)-Adenine Discrete Entities As Supramolecular Building Blocks To Afford Porous Supramolecular Metal‒Organic Frameworks (SMOFs)","Crystal Growth & Design","2014","14","8","4019","","10.1021/cg500634y","","","0.71073","MoKα","","0.1119","0.0778","","","0.2048","0.2342","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511426","9.1344","0.0007","11.0778","0.001","13.0778","0.0011","90","","103.873","0.007","90","","1284.73","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(mu-adenine-kN3:kN9)bis(mu-bromido)di(bromido)dicopper(II)]- (propan-1-ol) (1/2)]","","- C16 H26 Br4 Cu2 N10 O2 -","- C16 H26 Br4 Cu2 N10 O2 -","- C32 H52 Br8 Cu4 N20 O4 -","2","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Fröba, Michael; Hoffmann, Frank; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Paddle-Wheel Shaped Copper(II)-Adenine Discrete Entities As Supramolecular Building Blocks To Afford Porous Supramolecular Metal‒Organic Frameworks (SMOFs)","Crystal Growth & Design","2014","14","8","4019","","10.1021/cg500634y","","","0.71073","MoKα","","0.0688","0.0504","","","0.0927","0.1005","","","","","","1.119","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511427","13.178","0.01","12.026","0.009","13.179","0.01","90","","90","","90","","2089","3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H10 N12 O14 -","- C12 H10 N12 O14 -","- C48 H40 N48 O56 -","4","1","","Zhang, Chaoyang; Yang, Zongwei; Zhou, Xiaoqing; Zhang, Chenghua; Ma, Yu; Xu, Jinjiang; Zhang, Qi; Nie, Fude; Li, Hongzhen","Evident Hydrogen Bonded Chains Building CL-20-Based Cocrystals","Crystal Growth & Design","2014","14","8","3923","","10.1021/cg500796r","","","0.71073","MoKα","","0.0465","0.0403","","","0.0923","0.0962","","","","","","1.009","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511428","13.405","0.002","7.9724","0.0014","20.951","0.004","90","","94.158","0.004","90","","2233.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N12 O14 -","- C16 H12 N12 O14 -","- C64 H48 N48 O56 -","4","1","","Zhang, Chaoyang; Yang, Zongwei; Zhou, Xiaoqing; Zhang, Chenghua; Ma, Yu; Xu, Jinjiang; Zhang, Qi; Nie, Fude; Li, Hongzhen","Evident Hydrogen Bonded Chains Building CL-20-Based Cocrystals","Crystal Growth & Design","2014","14","8","3923","","10.1021/cg500796r","","","0.71073","MoKα","","0.0724","0.0529","","","0.1334","0.1467","","","","","","1.014","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511532","7.1208","0.0009","8.4113","0.0011","13.02","0.002","72.212","0.012","87.797","0.011","74.341","0.011","714.17","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Cl3 N2 O Sn -","- C12 H9 Cl3 N2 O Sn -","- C24 H18 Cl6 N4 O2 Sn2 -","2","1","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.0794","0.0526","","","0.1076","0.1181","","","","","","1.025","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511533","8.5178","0.0003","20.4772","0.0007","10.4144","0.0004","90","","93.75","0.003","90","","1812.6","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Br3 N O2 Sn -","- C14 H12 Br3 N3 O Sn -","- C56 H48 Br12 N12 O4 Sn4 -","4","1","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.056","0.0414","","","0.0908","0.0973","","","","","","1.049","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511534","17.6097","0.0007","12.5384","0.0003","17.9005","0.0008","90","","117.701","0.005","90","","3499.4","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl2 N2 O Sn -","- C16 H18 Cl2 N2 O Sn -","- C128 H144 Cl16 N16 O8 Sn8 -","8","2","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.0515","0.0301","","","0.0608","0.0708","","","","","","1.053","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511535","9.3066","0.0004","9.524","0.0004","14.0942","0.0005","104.361","0.003","94.016","0.003","98.977","0.003","1187.65","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl2 N2 O Sn -","- C25 H22 Cl2 N2 O Sn -","- C50 H44 Cl4 N4 O2 Sn2 -","2","1","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.0232","0.0199","","","0.0484","0.0502","","","","","","1.033","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511536","12.5299","0.0008","12.7797","0.0007","19.9032","0.0013","90","","90","","90","","3187.1","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Br3 N2 S Sn -","- C12 H9 Br3 N2 S Sn -","- C96 H72 Br24 N16 S8 Sn8 -","8","1","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.1358","0.0549","","","0.0634","0.0799","","","","","","0.984","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511537","12.9592","0.0004","10.4092","0.0003","14.5307","0.0006","90","","114.255","0.005","90","","1787.09","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl2 N2 S Sn -","- C16 H18 Cl2 N2 S Sn -","- C64 H72 Cl8 N8 S4 Sn4 -","4","1","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.0354","0.0299","","","0.0672","0.0714","","","","","","1.064","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511538","6.8426","0.0005","20.0479","0.0014","21.4663","0.0015","90","","90","","90","","2944.7","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H26 N8 O9 S2 -","- C18 H26 N8 O9 S2 -","- C72 H104 N32 O36 S8 -","4","0.5","","Xiao, Wenchang; Hu, Chunhua; Carter, Damien J.; Nichols, Shane; Ward, Michael D.; Raiteri, Paolo; Rohl, Andrew L.; Kahr, Bart","Structural Correspondence of Solution, Liquid Crystal, and Crystalline Phases of the Chromonic Mesogen Sunset Yellow","Crystal Growth & Design","2014","14","8","4166","","10.1021/cg500752x","","","0.71073","MoKα","","0.0754","0.0584","","","0.1673","0.1771","","","","","","1.095","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511539","7.0104","0.0003","9.1585","0.0006","10.9366","0.0006","80.332","0.006","73.993","0.004","84.208","0.004","664.26","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 F6 I4 -","- C24 H12 F6 I4 -","- C24 H12 F6 I4 -","1","0.5","","Lemouchi, Cyprien; Yamamoto, Hiroshi M.; Kato, Reizo; Simonov, Sergey; Zorina, Leokadiya; Rodríguez-Fortea, Antonio; Canadell, Enric; Wzietek, Pawel; Iliopoulos, Konstantinos; Gindre, Denis; Chrysos, Michael; Batail, Patrick","Reversible Control of Crystalline Rotors by Squeezing Their Hydrogen Bond Cloud Across a Halogen Bond-Mediated Phase Transition","Crystal Growth & Design","2014","14","7","3375","","10.1021/cg5002978","","","0.71073","MoKα","","0.0679","0.0429","","","0.112","0.12","","","","","","1.085","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4511540","9.0986","0.0005","11.2261","0.0007","13.7829","0.0006","112.913","0.005","96.345","0.005","93.942","0.005","1279.14","0.13","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 F6 I4 -","- C24 H12 F6 I4 -","- C48 H24 F12 I8 -","2","1","","Lemouchi, Cyprien; Yamamoto, Hiroshi M.; Kato, Reizo; Simonov, Sergey; Zorina, Leokadiya; Rodríguez-Fortea, Antonio; Canadell, Enric; Wzietek, Pawel; Iliopoulos, Konstantinos; Gindre, Denis; Chrysos, Michael; Batail, Patrick","Reversible Control of Crystalline Rotors by Squeezing Their Hydrogen Bond Cloud Across a Halogen Bond-Mediated Phase Transition","Crystal Growth & Design","2014","14","7","3375","","10.1021/cg5002978","","","0.71073","MoKα","","0.0425","0.0262","","","0.0491","0.0514","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511541","9.835","0.002","12.723","0.003","14.592","0.004","84.277","0.003","87.288","0.003","76.841","0.003","1768.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 Cl4 N4 O12 Zn -","- C28 H38 Cl4 N4 O12 Zn -","- C56 H76 Cl8 N8 O24 Zn2 -","2","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Escudero, Daniel; Castro, Abril C.; Swart, Marcel; Ghosh, Sanjib; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes","Crystal Growth & Design","2014","14","8","4111","","10.1021/cg500717n","","","0.71073","MoKα","","0.0655","0.0489","","","0.1416","0.1544","","","","","","1.065","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511542","9.0372","0.0012","12.5384","0.0016","15.1211","0.0019","89.705","0.002","86.941","0.002","84.171","0.002","1702.1","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 Cl2 N6 O6 S2 Zn2 -","- C28 H36 Cl2 N6 O6 S2 Zn2 -","- C56 H72 Cl4 N12 O12 S4 Zn4 -","2","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Escudero, Daniel; Castro, Abril C.; Swart, Marcel; Ghosh, Sanjib; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes","Crystal Growth & Design","2014","14","8","4111","","10.1021/cg500717n","","","0.71073","MoKα","","0.0608","0.0432","","","0.1198","0.1291","","","","","","1.088","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511543","16.9993","0.0006","7.5278","0.0003","13.5447","0.0005","90","","100.037","0.001","90","","1706.75","0.11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N5 O2 Zn -","- C15 H16 Cl N5 O2 Zn -","- C60 H64 Cl4 N20 O8 Zn4 -","4","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Escudero, Daniel; Castro, Abril C.; Swart, Marcel; Ghosh, Sanjib; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes","Crystal Growth & Design","2014","14","8","4111","","10.1021/cg500717n","","","0.71073","MoKα","","0.0496","0.0347","","","0.0864","0.0944","","","","","","1.024","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511544","8.8137","0.0007","14.6565","0.0011","25.2937","0.0019","90","","96.03","0.003","90","","3249.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Cl2 N10 O5 Zn2 -","- C26 H34 Cl2 N10 O5 Zn2 -","- C104 H136 Cl8 N40 O20 Zn8 -","4","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Escudero, Daniel; Castro, Abril C.; Swart, Marcel; Ghosh, Sanjib; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes","Crystal Growth & Design","2014","14","8","4111","","10.1021/cg500717n","","","0.71073","MoKα","","0.0997","0.0623","","","0.1425","0.1599","","","","","","1.092","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511545","6.6714","0.0011","9.134","0.0015","37.65","0.006","90","","90","","90","","2294.3","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Lamivudinium hemiOxalate","","","- C18 H24 N6 O10 S2 -","- C18 H24 N6 O10 S2 -","- C72 H96 N24 O40 S8 -","4","1","","Perumalla, Sathyanarayana R.; Sun, Changquan C.","Design and Preparation of a 4:1 Lamivudine‒Oxalic Acid CAB Cocrystal for Improving the Lamivudine Purification Process","Crystal Growth & Design","2014","14","8","3990","","10.1021/cg5005825","","","0.71073","MoKα","","0.038","0.0317","","","0.0706","0.074","","","","","","1.028","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511546","8.6175","0.0009","24.679","0.003","13.4297","0.0014","90","","101.002","0.001","90","","2803.6","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Lamivudinium Oxalate monohydrate","","","- C10 H15 N3 O8 S -","- C10 H15 N3 O8 S -","- C80 H120 N24 O64 S8 -","8","4","","Perumalla, Sathyanarayana R.; Sun, Changquan C.","Design and Preparation of a 4:1 Lamivudine‒Oxalic Acid CAB Cocrystal for Improving the Lamivudine Purification Process","Crystal Growth & Design","2014","14","8","3990","","10.1021/cg5005825","","","0.71073","MoKα","","0.0509","0.039","","","0.0819","0.0884","","","","","","1.014","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511575","5.3553","0.001","7.685","0.0015","10.951","0.002","104.448","0.003","90.485","0.003","100.058","0.003","429.09","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Cu N2 O12 U -","- C14 H10 Cu N2 O12 U -","- C14 H10 Cu N2 O12 U -","1","0.5","","Kerr, Andrew T.; Cahill, Christopher L.","CuPYDC Metalloligands and Postsynthetic Rearrangement/Metalation as Routes to Bimetallic Uranyl Containing Hybrid Materials: Syntheses, Structures, and Fluorescence","Crystal Growth & Design","2014","14","8","4094","","10.1021/cg5007132","","x-ray","0.71073","MoKα","","0.025","0.0249","","","0.051","0.0511","","","","","","1.045","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511576","8.4363","0.0011","13.1485","0.0017","17.833","0.002","90","","90","","90","","1978.1","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H12 Cu N2 O13 U -","- C14 H12 Cu N2 O13 U -","- C56 H48 Cu4 N8 O52 U4 -","4","1","","Kerr, Andrew T.; Cahill, Christopher L.","CuPYDC Metalloligands and Postsynthetic Rearrangement/Metalation as Routes to Bimetallic Uranyl Containing Hybrid Materials: Syntheses, Structures, and Fluorescence","Crystal Growth & Design","2014","14","8","4094","","10.1021/cg5007132","","x-ray","0.71073","MoKα","","0.0611","0.0411","","","0.0931","0.1023","","","","","","0.992","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511577","9.344","0.004","10.249","0.004","11.295","0.005","90.275","0.006","113.058","0.006","110.556","0.006","919.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cu N2 O13 U -","- C14 H11 Cu N2 O13 U -","- C28 H22 Cu2 N4 O26 U2 -","2","1","","Kerr, Andrew T.; Cahill, Christopher L.","CuPYDC Metalloligands and Postsynthetic Rearrangement/Metalation as Routes to Bimetallic Uranyl Containing Hybrid Materials: Syntheses, Structures, and Fluorescence","Crystal Growth & Design","2014","14","8","4094","","10.1021/cg5007132","","x-ray","0.71073","MoKα","","0.0308","0.0242","","","0.045","0.0478","","","","","","1.038","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511578","19.7","0.008","7.072","0.003","25.731","0.01","90","","107.705","0.006","90","","3415","2","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 B I N2 O2 -","- C18 H14 B I N2 O2 -","- C144 H112 B8 I8 N16 O16 -","8","2","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0725","0.054","","","0.1271","0.139","","","","","","1.09","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511579","7.095","0.004","10.015","0.006","13.341","0.008","90.954","0.013","95.037","0.011","93.988","0.014","941.8","1","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H13 B Br N2 O3 -","- C18 H13 B Br N2 O3 -","- C36 H26 B2 Br2 N4 O6 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.1205","0.0732","","","0.2001","0.2096","","","","","","0.882","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511580","11.092","0.006","7.246","0.004","21.061","0.013","90","","99.211","0.011","90","","1670.9","1.7","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 B Cl N O2 -","- C19 H15 B Cl N O2 -","- C76 H60 B4 Cl4 N4 O8 -","4","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.1246","0.0665","","","0.1341","0.1584","","","","","","1.073","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511581","8.996","0.005","12.502","0.006","14.051","0.007","109.397","0.004","94.074","0.006","110.188","0.006","1367.9","1.2","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 B I N4 O3 -","- C30 H24 B I N4 O3 -","- C60 H48 B2 I2 N8 O6 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0501","0.0376","","","0.0896","0.094","","","","","","0.93","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511582","13.251","0.005","6.858","0.003","18.594","0.008","90","","103.5","0.07","90","","1643","1.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Iodophenylboronic acid-4,4'-bipyridyl-hydrate complex","","- C16 H16 B I N2 O3 -","- C16 H16 B I N2 O3 -","- C64 H64 B4 I4 N8 O12 -","4","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0509","0.0395","","","0.0886","0.1022","","","","","","1.085","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511583","7.384","0.008","11.183","0.009","12.07","0.002","110.297","0.001","103.06","0.002","94.72","0.002","896.4","1.2","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 B I N O2 -","- C19 H15 B I N O2 -","- C38 H30 B2 I2 N2 O4 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.1111","0.092","","","0.2804","0.2866","","","","","","1.021","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511584","8.982","0.006","12.482","0.008","13.945","0.008","109.23","0.005","95.719","0.005","110.223","0.007","1344.4","1.5","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 B Br N4 O3 -","- C30 H24 B Br N4 O3 -","- C60 H48 B2 Br2 N8 O6 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.1251","0.0519","","","0.0944","0.1115","","","","","","0.826","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511585","6.939","0.004","9.959","0.005","12.125","0.007","80.167","0.014","87.694","0.015","83.066","0.015","819.4","0.8","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 B Cl N2 O2 -","- C18 H14 B Cl N2 O2 -","- C36 H28 B2 Cl2 N4 O4 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0727","0.0405","","","0.0813","0.0888","","","","","","0.84","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511586","7.202","0.002","34.347","0.008","21.339","0.005","90","","105.66","0.008","90","","5083","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Iodophenylboronic acid-4,7-phenanthroline complex","","- C24 H20 B2 I2 N2 O4 -","- C24 H20 B2 I2 N2 O4 -","- C192 H160 B16 I16 N16 O32 -","8","2","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0749","0.042","","","0.1002","0.1172","","","","","","1","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511587","7.621","0.004","9.054","0.005","11.668","0.006","80.58","0.02","88.21","0.02","84.07","0.02","789.9","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-Bromophenylboronic acid-4,7-phenanthroline complex","","- C18 H14 B Br N2 O2 -","- C18 H14 B Br N2 O2 -","- C36 H28 B2 Br2 N4 O4 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0414","0.0289","","","0.065","0.0679","","","","","","0.936","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511588","7.218","0.004","11.132","0.006","11.861","0.007","109.402","0.01","104.453","0.004","94.515","0.005","856.7","0.8","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 B Br N O2 -","- C19 H15 B Br N O2 -","- C38 H30 B2 Br2 N2 O4 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0685","0.0481","","","0.1114","0.1152","","","","","","0.834","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511589","7.506","0.002","9.118","0.002","11.635","0.004","79.24","0.03","88.39","0.02","84.33","0.02","778.4","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-Chlorophenylboronic acid-4,7-phenanthroline complex","","- C18 H14 B Cl N2 O2 -","- C18 H14 B Cl N2 O2 -","- C36 H28 B2 Cl2 N4 O4 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0324","0.0275","","","0.0744","0.0781","","","","","","1.135","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511590","10.129","0.004","10.9","0.004","12.521","0.004","69.96","0.008","66.85","0.008","70.21","0.007","1160.4","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","4-Iodophenylboronic acid-trans-1,2-bis(4-pyridyl)ethene complex","","- C48 H42 B2 I2 N6 O4 -","- C48 H42 B2 I2 N6 O4 -","- C48 H42 B2 I2 N6 O4 -","1","0.5","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.1417","0.0549","","","0.1271","0.1507","","","","","","0.83","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511591","12.805","0.003","6.834","0.001","18.647","0.004","90","","102.74","0.03","90","","1591.6","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromophenylboronic acid-4,4'-bipyridyl-hydrate complex","","- C16 H16 B Br N2 O3 -","- C16 H16 B Br N2 O3 -","- C64 H64 B4 Br4 N8 O12 -","4","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0557","0.0332","","","0.0748","0.0825","","","","","","1.005","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511592","12.259","0.005","12.938","0.002","13.211","0.003","96.91","0.01","116.79","0.02","99.83","0.02","1796","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-Chlorophenylboronic acid-trans-1, 2-bis(4-pyridyl)ethene-hydrate complex","","- C18 H18 B Cl N2 O3 -","- C18 H18 B Cl N2 O3 -","- C72 H72 B4 Cl4 N8 O12 -","4","2","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0669","0.0465","","","0.1246","0.1375","","","","","","1.029","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511593","12.606","0.005","6.878","0.003","18.873","0.008","90","","102.793","0.007","90","","1595.7","1.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Chlorophenylboronic acid-4,4'-bipyridyl-hydrate complex","","- C16 H16 B Cl N2 O3 -","- C16 H16 B Cl N2 O3 -","- C64 H64 B4 Cl4 N8 O12 -","4","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0687","0.0566","","","0.143","0.1562","","","","","","1.161","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511594","12.301","","12.969","","13.309","","96.25","0.01","116.94","0.01","100.13","0.01","1819.8","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-Bromophenylboronic acid-trans-1,2-bis(4-pyridyl)ethene-hydrate complex","","- C18 H18 B Br N2 O3 -","- C18 H18 B Br N2 O3 -","- C72 H72 B4 Br4 N8 O12 -","4","2","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0712","0.0385","","","0.0876","0.096","","","","","","0.896","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511595","7.2659","0.0001","10.3858","0.0003","42.1865","0.001","90","","90","","90","","3183.49","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 N2 O9 -","- C31 H48 N2 O9 -","- C124 H192 N8 O36 -","4","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","1.54184","CuKα","","0.0336","0.0323","","","0.0829","0.0845","","","","","","1.039","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511596","10.7203","0.0007","9.3534","0.0004","14.3581","0.0011","90","","110.236","0.008","90","","1350.84","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H38 N4 O10 -","- C24 H38 N4 O10 -","- C48 H76 N8 O20 -","2","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","0.71073","MoKα","","0.0447","0.0372","","","0.0892","0.0951","","","","","","0.956","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511597","12.0408","0.0008","5.9067","0.0003","12.1169","0.0008","90","","113.961","0.008","90","","787.51","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H22 N2 O6 -","- C13 H22 N2 O6 -","- C26 H44 N4 O12 -","2","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","0.71073","MoKα","","0.0584","0.0411","","","0.0885","0.0966","","","","","","1.023","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511598","5.9628","0.0004","11.5797","0.0008","22.5983","0.0018","90","","95.615","0.008","90","","1552.9","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H22 N2 O6 -","- C13 H22 N2 O6 -","- C52 H88 N8 O24 -","4","2","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","0.71073","MoKα","","0.0602","0.0485","","","0.1162","0.1243","","","","","","1.024","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511599","7.351","0.002","9.78","0.003","29.993","0.005","90","","90","","90","","2156.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O4 -","- C21 H32 N2 O4 -","- C84 H128 N8 O16 -","4","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","1.54178","CuKα","","0.0883","0.0837","","","0.234","0.2366","","","","","","1.056","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511600","6.8807","0.0001","11.0656","0.0002","16.4085","0.0003","90","","96.713","0.002","90","","1240.76","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H40 N2 O5 -","- C26 H40 N2 O5 -","- C52 H80 N4 O10 -","2","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","1.54184","CuKα","","0.0312","0.0298","","","0.0774","0.0792","","","","","","1.039","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511601","14.01","0.0013","8.9567","0.0008","10.3498","0.001","90","","109.458","0.004","90","","1224.6","0.2","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 O3 Tl -","- C14 H11 O3 Tl -","- C56 H44 O12 Tl4 -","4","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.034","0.0251","","0.0589","0.0569","0.0569","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511602","9.8894","0.0005","11.9645","0.0006","18.8117","0.0009","104.566","0.003","102.641","0.003","91.839","0.003","2093.11","0.18","29","","29","","","","","","","","","4","P -1","-P 1","2","","","","- C43 H43 Ga O13 -","- C43 H43 Ga O13 -","- C86 H86 Ga2 O26 -","2","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.0468","0.0358","","0.0968","0.093","0.093","","","","","","1.0267","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511603","13.3766","0.0013","14.8033","0.0016","16.1009","0.0017","93.531","0.004","103.123","0.004","114.206","0.004","2788.7","0.5","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C61 H57 In N2 O14 -","- C61 H57 In N2 O14 -","- C122 H114 In2 N4 O28 -","2","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.075","0.0508","","0.1418","0.1291","0.1291","","","","","","1.0133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511604","8.728","0.002","11.925","0.003","14.66","0.004","105.473","0.008","100.16","0.009","103.095","0.011","1386","0.6","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 B N2 O7 -","- C31 H27 B N2 O7 -","- C62 H54 B2 N4 O14 -","2","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.1032","0.0616","","0.1305","0.121","0.121","","","","","","1.0059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511605","6.9037","0.0002","19.0744","0.0005","31.8889","0.0009","90","","90","","90","","4199.3","0.2","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H41 N4 O7 Tl -","- C52 H41 N4 O7 Tl -","- C208 H164 N16 O28 Tl4 -","4","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.047","0.0425","","0.0682","0.0677","0.0677","","","","","","0.9948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511606","11.2273","0.0006","17.5817","0.0009","11.7154","0.0006","90","","112.885","0.002","90","","2130.53","0.19","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H38 N4 O6 Tl2 -","- C52 H38 N4 O6 Tl2 -","- C104 H76 N8 O12 Tl4 -","2","0.5","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.0835","0.0523","","0.1222","0.1019","0.1019","","","","","","0.9993","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511607","24.3592","0.0014","9.4393","0.0004","21.6422","0.0011","90","","115.445","0.002","90","","4493.6","0.4","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H45 Al O14 -","- C43 H45 Al O14 -","- C172 H180 Al4 O56 -","4","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.063","0.0454","","0.0788","0.077","0.077","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511608","20.4932","0.0008","13.7177","0.0006","27.2481","0.0011","90","","90","","90","","7660","0.5","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C76 H80.5 Co4 N8 O28.5 -","- C76 H80.5 Co4 N8 O28.5 -","- C304 H322 Co16 N32 O114 -","4","1","","Ke, Szu-Yu; Chang, Ya-Fan; Wang, Hsin-Yu; Yang, Ching-Chun; Ni, Cheng-Wei; Lin, Gu-Ying; Chen, Tzu-Ting; Ho, Mei-Lin; Lee, Gene-Hsiang; Chuang, Yu-Chun; Wang, Chih-Chieh","Self-Assembly of Four Coordination Polymers in Three-Dimensional Entangled Architecture Showing Reversible Dynamic Solid-State Structural Transformation and Color-Changing Behavior upon Thermal Dehydration and Rehydration","Crystal Growth & Design","2014","14","8","4011","","10.1021/cg500620k","","","0.71073","MoKα","","0.0863","0.0586","","","0.1233","0.136","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511609","14.6916","0.0003","19.3357","0.0003","12.8728","0.0003","90","","111.282","0.001","90","","3407.43","0.12","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H34 Br0.56 Cl0.44 N5 O Ru -","- C32 H34 Br0.56 Cl0.44 N5 O Ru -","- C128 H136 Br2.24 Cl1.76 N20 O4 Ru4 -","4","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0201","0.0183","","","0.0445","0.0449","","","","","","1.046","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511610","10.2126","0.0003","12.2383","0.0003","16.6522","0.0004","96.359","0.001","100.516","0.002","101.949","0.001","1977.96","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H37 B F4 N6 O Ru -","- C34 H37 B F4 N6 O Ru -","- C68 H74 B2 F8 N12 O2 Ru2 -","2","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0262","0.0229","","","0.0583","0.0597","","","","","","1.039","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511611","21.7318","0.0006","11.4791","0.0003","30.4353","0.0007","90","","107.522","0.001","90","","7240.2","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H41 Br N6 O2 Ru -","- C35 H41 Br N6 O2 Ru -","- C280 H328 Br8 N48 O16 Ru8 -","8","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0291","0.0253","","","0.0593","0.0607","","","","","","1.103","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511612","13.7607","0.0004","17.3199","0.0005","18.3721","0.0005","90","","108.243","0.002","90","","4158.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H49 Br N6 O Ru -","- C40 H49 Br N6 O Ru -","- C160 H196 Br4 N24 O4 Ru4 -","4","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0888","0.0554","","","0.1457","0.1622","","","","","","1.039","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511613","18.358","0.0009","14.6031","0.0008","14.0683","0.0007","90","","93.583","0.003","90","","3764.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 Br N6 O2 Ru -","- C40 H43 Br N6 O2 Ru -","- C160 H172 Br4 N24 O8 Ru4 -","4","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.056","0.0369","","","0.0866","0.0942","","","","","","1.036","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511614","10.6089","0.0003","15.4581","0.0002","18.9255","0.0004","70.365","0.001","88.255","0.001","84.453","0.001","2909.49","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H67 Br0.65 Cl0.35 N7 O P Ru -","- C60 H67 Br0.65 Cl0.35 N7 O P Ru -","- C120 H134 Br1.3 Cl0.7 N14 O2 P2 Ru2 -","2","1","","Filonenko, Georgy A.; Cosimi, Elena; Lefort, Laurent; Conley, Matthew P.; Copéret, Christophe; Lutz, Martin; Hensen, Emiel J. M.; Pidko, Evgeny A.","Lutidine-Derived Ru-CNC Hydrogenation Pincer Catalysts with Versatile Coordination Properties","ACS Catalysis","2014","4","8","2667","","10.1021/cs500720y","","","0.71073","MoKα","","0.0356","0.0286","","","0.0672","0.0697","","","","","","1.045","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511615","8.6291","0.0004","15.0143","0.0006","16.9802","0.0007","88.131","0.002","88.041","0.002","86.19","0.002","2192.79","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 N2 O3 P Ru -","- C21 H29 N2 O3 P Ru -","- C84 H116 N8 O12 P4 Ru4 -","4","2","","Hu, Peng; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Reusable Homogeneous Catalytic System for Hydrogen Production from Methanol and Water","ACS Catalysis","2014","4","8","2649","","10.1021/cs500937f","","","0.71073","MoKα","","0.0738","0.041","","","0.079","0.0906","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511616","5.7188","0.0004","10.1645","0.0007","20.4591","0.0011","90","","90","","90","","1189.26","0.13","298.01","0.1","298.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N3 O4 -","- C10 H13 N3 O4 -","- C40 H52 N12 O16 -","4","1","","Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships","Crystal Growth & Design","2014","14","8","4187","","10.1021/cg500790q","","","0.7107","MoKα","","0.0756","0.0518","","","","0.1454","","","","","","1.0905","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511617","5.6612","0.0003","5.1428","0.0003","9.5438","0.0005","90","","93.246","0.005","90","","277.42","0.03","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C4 H7 N O3 -","- C4 H7 N O3 -","- C8 H14 N2 O6 -","2","1","","Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships","Crystal Growth & Design","2014","14","8","4187","","10.1021/cg500790q","","","0.7107","MoKα","","0.0238","0.0237","","","","0.0629","","","","","","1.0678","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511618","5.4131","0.0006","6.0085","0.0005","9.9526","0.0008","87.699","0.007","84.94","0.008","73.561","0.009","309.22","0.05","119.95","0.1","119.95","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","1","0.5","","Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships","Crystal Growth & Design","2014","14","8","4187","","10.1021/cg500790q","","","0.7107","MoKα","","0.0732","0.0656","","","","0.1924","","","","","","1.115","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511619","7.1751","0.0006","10.1669","0.0012","12.6992","0.0012","82.037","0.009","81.412","0.007","88.251","0.008","907.12","0.16","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C36 H44 N8 O12 -","2","1","","Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships","Crystal Growth & Design","2014","14","8","4187","","10.1021/cg500790q","","","0.7107","MoKα","","0.1101","0.0793","","","","0.2669","","","","","","1.1876","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511627","12.5208","0.001","10.0602","0.0005","16.3679","0.0014","90","","103.221","0.003","90","","2007.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Bis[4'-(N,N-di(4""-hydroxyphenyl)amino)- 2',6'-dihydroxyphenyl]squaraine","","- C46 H40 N2 O12 -","- C46 H40 N2 O12 -","- C92 H80 N4 O24 -","2","0.5","","Karak, Supravat; Homnick, Paul J.; Della Pelle, Andrea M.; Bae, Youngju; Duzhko, Volodimyr V.; Liu, Feng; Russell, Thomas P.; Lahti, Paul M.; Thayumanavan, S.","Crystallinity and morphology effects on a solvent-processed solar cell using a triarylamine-substituted squaraine.","ACS applied materials & interfaces","2014","6","14","11376","11384","10.1021/am501965d","","","0.71073","MoKα","","0.1305","0.0673","","","0.1861","0.2288","","","","","","1.024","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511628","15.784","0.0009","10.3015","0.0005","19.7923","0.0009","90","","90.938","0.004","90","","3217.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 N O6 P Pd S -","- C31 H34 N O6 P Pd S -","- C124 H136 N4 O24 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan","Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization","ACS Catalysis","2014","4","8","2672","","10.1021/cs5005954","","","0.71073","MoKα","","0.0954","0.0761","","","0.2061","0.2189","","","","","","1.066","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511629","9.5988","0.0005","8.6559","0.0003","29.9833","0.0016","90","","106.094","0.004","90","","2393.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N O5 P Pd S -","- C26 H26 N O5 P Pd S -","- C104 H104 N4 O20 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan","Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization","ACS Catalysis","2014","4","8","2672","","10.1021/cs5005954","","","0.71073","MoKα","","0.0463","0.0344","","","0.0852","0.0901","","","","","","1.042","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511630","9.6353","0.0006","10.7338","0.0006","13.7048","0.0008","103.819","0.005","93.508","0.005","106.9","0.004","1303.85","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H54 Cl2 Li2 O12 P2 Pd2 S2 -","- C48 H54 Cl2 Li2 O12 P2 Pd2 S2 -","- C48 H54 Cl2 Li2 O12 P2 Pd2 S2 -","1","0.5","","Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan","Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization","ACS Catalysis","2014","4","8","2672","","10.1021/cs5005954","","","0.71073","MoKα","","0.0388","0.0308","","","0.0683","0.0719","","","","","","1.069","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511631","13.7944","0.0007","9.9669","0.0003","22.1792","0.001","90","","120.694","0.003","90","","2622.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N O6 P Pd S -","- C27 H28 N O6 P Pd S -","- C108 H112 N4 O24 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Schwaderer, Judith B.; Mecking, Stefan","Solid-Supported Single-Component Pd(II) Catalysts for Polar Monomer Insertion Copolymerization","ACS Catalysis","2014","4","8","2672","","10.1021/cs5005954","","","0.71073","MoKα","","0.0492","0.0393","","","0.0857","0.0892","","","","","","1.092","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511632","34.43","0.003","10.1777","0.001","22.398","0.002","90","","92.226","0.002","90","","7842.7","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C83 H106 Br2 N4 O27 -","- C83 H102 Br2 N4 O27 -","- C332 H408 Br8 N16 O108 -","4","0.5","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Baker, Gary A.; Atwood, Jerry L.","Solvent-Modulated Formation of “Pac-man” and Capsular Host‒Guest Bilayers from a Dicationic Ionic Liquid andC-Butylpyrogallol[4]arene","Crystal Growth & Design","2014","14","8","4199","","10.1021/cg500793z","","","0.7749","synchrotron","","0.0703","0.0584","","","0.1484","0.1567","","","","","","1.071","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511633","44.5094","0.0015","12.9169","0.0004","17.9977","0.0006","90","","108.483","0.002","90","","9813.6","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C99 H144 Br2 N4 O31 -","- C99 H130 Br2 N4 O31 -","- C396 H520 Br8 N16 O124 -","4","0.5","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Baker, Gary A.; Atwood, Jerry L.","Solvent-Modulated Formation of “Pac-man” and Capsular Host‒Guest Bilayers from a Dicationic Ionic Liquid andC-Butylpyrogallol[4]arene","Crystal Growth & Design","2014","14","8","4199","","10.1021/cg500793z","","","0.7749","synchrotron","","0.1061","0.0884","","","0.2436","0.2636","","","","","","1.041","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511634","18.4096","0.0006","20.188","0.0006","23.4074","0.0007","73.34","0.002","68.043","0.002","79.237","0.002","7698.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C151.95 H223.4 Br3 N6 O46.75 -","- C151.95 H208.8 Br3 N6 O46.75 -","- C303.9 H417.6 Br6 N12 O93.5 -","2","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Baker, Gary A.; Atwood, Jerry L.","Solvent-Modulated Formation of “Pac-man” and Capsular Host‒Guest Bilayers from a Dicationic Ionic Liquid andC-Butylpyrogallol[4]arene","Crystal Growth & Design","2014","14","8","4199","","10.1021/cg500793z","","","0.7749","synchrotron","","0.1455","0.1174","","","0.3481","0.3745","","","","","","1.528","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511635","14.167","0.0005","18.6643","0.0007","16.8236","0.0003","90","","90","","90","","4448.4","0.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H56 O28 U3 -","- C30 H56 O28 U3 -","- C120 H224 O112 U12 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0442","0.0286","","","0.0611","0.0646","","","","","","1.021","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511636","14.881","0.0013","18.0065","0.0015","17.2267","0.0008","90","","90","","90","","4616","0.6","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H46 N4 Ni O22 U2 -","- C38 H46 N4 Ni O22 U2 -","- C152 H184 N16 Ni4 O88 U8 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0774","0.0482","","","0.1042","0.113","","","","","","1.041","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511637","15.258","0.0004","18.0513","0.001","16.9899","0.0008","90","","95.344","0.003","90","","4659.1","0.4","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C86 H90 N10 Ni2 O39 U4 -","- C86 H80 N10 Ni2 O39 U4 -","- C172 H160 N20 Ni4 O78 U8 -","2","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0636","0.0502","","","0.1211","0.1251","","","","","","1.099","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511638","10.0413","0.0002","15.5554","0.0003","10.0309","0.0002","90","","90","","90","","1566.79","0.05","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H34 Ni O24 U2 -","- C18 H30 Ni O24 U2 -","- C36 H60 Ni2 O48 U4 -","2","0.25","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0336","0.0322","","","0.0824","0.0828","","","","","","1.262","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511639","10.1436","0.0005","15.6398","0.0007","10.0394","0.0004","90","","90","","90","","1592.69","0.12","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H34 Cu O24 U2 -","- C18 H30 Cu O24 U2 -","- C36 H60 Cu2 O48 U4 -","2","0.25","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0392","0.0322","","","0.0777","0.0796","","","","","","1.169","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511640","31.0331","0.0013","10.0992","0.0003","16.5477","0.0007","90","","90","","90","","5186.2","0.3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H59 O40 Tb U3 -","- C27 H33 O40 Tb U3 -","- C108 H132 O160 Tb4 U12 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0516","0.0385","","","0.0973","0.1015","","","","","","1.047","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511641","8.9367","0.0005","9.4944","0.0006","11.9769","0.0008","83.967","0.004","73.74","0.003","67.598","0.003","901.95","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 N2 O20 U3 -","- C28 H36 N2 O20 U3 -","- C28 H36 N2 O20 U3 -","1","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0397","0.0306","","","0.0558","0.058","","","","","","1.026","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511642","20.7493","0.0007","20.7493","0.0007","10.0311","0.0002","90","","90","","120","","3740.12","0.19","150","2","150","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C9 H10 O8 U -","- C9 H9 O8 U -","- C54 H54 O48 U6 -","6","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0397","0.0318","","","0.0781","0.0802","","","","","","1.052","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511643","6.384","0.003","11.747","0.005","17.072","0.007","90","","90","","90","","1280.3","1","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Br F3 O2 -","- C13 H10 Br F3 O2 -","- C52 H40 Br4 F12 O8 -","4","1","","Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis","ACS Catalysis","2014","4","8","2696","","10.1021/cs500667g","","","0.71075","MoKα","","","0.0409","","","","0.0977","","","","","","0.771","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511644","8.1604","0.0015","9.5399","0.0018","9.6845","0.0018","90","","109.041","0.008","90","","712.7","0.2","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 Br F3 O2 -","- C14 H12 Br F3 O2 -","- C28 H24 Br2 F6 O4 -","2","1","","Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis","ACS Catalysis","2014","4","8","2696","","10.1021/cs500667g","","","0.71075","MoKα","","","0.0464","","","","0.117","","","","","","0.911","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511645","6.043","0.0007","7.8416","0.0009","29.273","0.004","90","","90","","90","","1387.2","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br F3 O2 -","- C13 H14 Br F3 O2 -","- C52 H56 Br4 F12 O8 -","4","1","","Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis","ACS Catalysis","2014","4","8","2696","","10.1021/cs500667g","","","0.71075","MoKα","","","0.0682","","","","0.1435","","","","","","1.033","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511646","9.55","0.005","11.309","0.005","16.008","0.005","85.285","0.005","88.604","0.005","65.217","0.005","1564.2","1.2","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C44 H38 N30 Na6 O19 W2 -","- C44 H36 N30 Na6 O19 W2 -","- C44 H36 N30 Na6 O19 W2 -","1","0.5","","Podgajny, Robert; Pinkowicz, Dawid; Czarnecki, Bernard; Kozieł, Marcin; Chorąży, Szymon; Wis, Magdalena; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Role of Pyrazine-N,N′-dioxide in [W(CN)8]n−-Based Hybrid Networks: Anion−π Interactions","Crystal Growth & Design","2014","14","8","4030","","10.1021/cg500636m","","x-ray","0.71069","MoKα","","0.0322","0.029","","","0.074","0.0763","","","","","","1.042","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511647","21.579","0.0001","25.288","0.0003","9.788","0.0004","90","","90","","90","","5341.2","0.2","100","2","100","2","","","","","","","synthesis as described","6","F d d 2","F 2 -2d","43","","","","- C16 H16 K3 N12 O8 W -","- C16 H16 K3 N12 O8 W -","- C128 H128 K24 N96 O64 W8 -","8","0.5","","Podgajny, Robert; Pinkowicz, Dawid; Czarnecki, Bernard; Kozieł, Marcin; Chorąży, Szymon; Wis, Magdalena; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Role of Pyrazine-N,N′-dioxide in [W(CN)8]n−-Based Hybrid Networks: Anion−π Interactions","Crystal Growth & Design","2014","14","8","4030","","10.1021/cg500636m","","x-ray","0.7107","MoKα","","0.0215","0.0195","","","0.0413","0.0428","","","","","","1.1","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511648","16.27","0.005","16.578","0.005","19.748","0.005","108.69","0.005","94.85","0.005","97.985","0.005","4949","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H28 Mn6 N40 O22 W4 -","- C62 H28 Mn6 N40 O22 W4 -","- C124 H56 Mn12 N80 O44 W8 -","2","1","","Podgajny, Robert; Pinkowicz, Dawid; Czarnecki, Bernard; Kozieł, Marcin; Chorąży, Szymon; Wis, Magdalena; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Role of Pyrazine-N,N′-dioxide in [W(CN)8]n−-Based Hybrid Networks: Anion−π Interactions","Crystal Growth & Design","2014","14","8","4030","","10.1021/cg500636m","","","0.71069","MoKα","","0.0538","0.0273","","","0.0743","0.0825","","","","","","1.013","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511649","11.3416","0.0001","15.1979","0.0001","14.7404","0.0001","90","","90","","90","","2540.78","0.03","293","2","293","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C12 H4 Mn2 N10 O12 W -","- C12 H4 Mn2 N10 O12 W -","- C48 H16 Mn8 N40 O48 W4 -","4","0.5","","Podgajny, Robert; Pinkowicz, Dawid; Czarnecki, Bernard; Kozieł, Marcin; Chorąży, Szymon; Wis, Magdalena; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Role of Pyrazine-N,N′-dioxide in [W(CN)8]n−-Based Hybrid Networks: Anion−π Interactions","Crystal Growth & Design","2014","14","8","4030","","10.1021/cg500636m","","","0.71073","MoKα","","0.0339","0.0283","","","0.0742","0.0779","","","","","","1.057","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511662","15.5024","0.0016","6.2258","0.0008","20.953","0.002","90","","101.598","0.005","90","","1981","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C42 H45 N O13 -","- C42 H45 N O13 -","- C84 H90 N2 O26 -","2","1","","Calosso, Mickael; Tambutet, Guillaume; Charpentier, Daniel; St-Pierre, Gabrielle; Vaillancourt, Marc; Bencheqroun, Mohammed; Gratton, Jean-Philippe; Prévost, Michel; Guindon, Yvan","Acyclic tethers mimicking subunits of polysaccharide ligands: selectin antagonists.","ACS medicinal chemistry letters","2014","5","9","1054","1059","10.1021/ml500266x","","","1.54178","CuKα","","0.1133","0.0774","","","0.1808","0.2021","","","","","","1.141","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511667","8.2619","0.0019","7.6594","0.0017","12.583","0.003","90","","99.974","0.004","90","","784.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H12 I N O -","- C19 H12 I N O -","- C38 H24 I2 N2 O2 -","2","1","","Gao, De-Wei; Gu, Qing; You, Shu-Li","Pd(II)-Catalyzed Intermolecular Direct C‒H Bond Iodination: An Efficient Approach toward the Synthesis of Axially Chiral Compounds via Kinetic Resolution","ACS Catalysis","2014","4","8","2741","","10.1021/cs500813z","","","0.71073","MoKα","","0.0266","0.0249","","","0.0625","0.0638","","","","","","0.999","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511668","13.3072","0.0005","20.3766","0.0008","21.6407","0.0008","73.832","0.002","83.605","0.002","83.898","0.002","5583.4","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C160 H138 -","- C160 H138 -","- C320 H276 -","2","1","","Ghiassi, Kamran B.; Chen, Susanne Y.; Prinz, Peter; de Meijere, Armin; Olmstead, Marilyn M.; Balch, Alan L.","Cocrystallization of C60or C70with the Bowl-Shaped Hydrocarbon Hexakis[(E)-3,3-dimethyl-1-butenyl]benzene To Form Chains of Clamshell Assemblies","Crystal Growth & Design","2014","14","8","4005","","10.1021/cg500603c","","","0.7749","synchrotron","","0.08","0.0662","","","0.1802","0.193","","","","","","1.034","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511669","14.6166","0.0006","32.4939","0.0014","22.8644","0.0009","90","","94.194","0.002","90","","10830.4","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C149.7 H137.64 S0.12 -","- C149.701 H137.64 S0.1214 -","- C598.803 H550.56 S0.4856 -","4","1","","Ghiassi, Kamran B.; Chen, Susanne Y.; Prinz, Peter; de Meijere, Armin; Olmstead, Marilyn M.; Balch, Alan L.","Cocrystallization of C60or C70with the Bowl-Shaped Hydrocarbon Hexakis[(E)-3,3-dimethyl-1-butenyl]benzene To Form Chains of Clamshell Assemblies","Crystal Growth & Design","2014","14","8","4005","","10.1021/cg500603c","","","0.7749","synchrotron","","0.0792","0.0628","","","0.1658","0.1806","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511670","23.4392","0.0007","12.8809","0.0003","20.9819","0.0006","90","","108.654","0.003","90","","6002","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H70 Cl10 N4 Ru2 -","- C56 H70 Cl10 N4 Ru2 -","- C224 H280 Cl40 N16 Ru8 -","4","0.5","","Gonell, Sergio; Peris, Eduardo","Pyrene-Based Mono- and Di-N-Heterocyclic Carbene Ligand Complexes of Ruthenium for the Preparation of Mixed Arylated/Alkylated Arylpyridines","ACS Catalysis","2014","4","8","2811","","10.1021/cs500735u","","","1.54184","CuKα","","0.0808","0.0635","","","0.1794","0.1913","","","","","","1.069","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511671","5.349","","5.349","","11.628","","90","","90","","90","","332.698","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Sodium Lanthanum Bis(tungstate)","","- La Na O8 W2 -","- La Na O8 W2 -","- La2 Na2 O16 W4 -","2","0.125","","Wang, Zijun; Zhong, Jiuping; Jiang, Haoxing; Wang, Jing; Liang, Hongbin","Controllable Synthesis of NaLu(WO4)2:Eu3+Microcrystal and Luminescence Properties for LEDs","Crystal Growth & Design","2014","14","8","3767","","10.1021/cg5001182","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511672","9.5986","0.0007","9.6754","0.0007","10.1798","0.0007","79.665","0.006","82.116","0.006","87.581","0.006","921.12","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N8 O14 Zn2 -","- C32 H36 N8 O14 Zn2 -","- C32 H36 N8 O14 Zn2 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0671","0.0464","","","0.0836","0.0956","","","","","","0.999","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511673","8.0455","0.0007","11.0296","0.0009","12.2367","0.0009","81.545","0.007","72.039","0.007","69.327","0.008","965.55","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 B2 Cd2 F8 N8 O10 -","- C28 H32 B2 Cd2 F8 N8 O10 -","- C28 H32 B2 Cd2 F8 N8 O10 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0502","0.0411","","","0.0871","0.0959","","","","","","1.047","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511674","10.5244","0.0003","15.4351","0.0003","10.9498","0.0003","90","","91.508","0.002","90","","1778.13","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cd N4 O6 -","- C16 H16 Cd N4 O6 -","- C64 H64 Cd4 N16 O24 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.041","0.0308","","","0.0715","0.0778","","","","","","0.997","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511675","22.3659","0.001","7.2649","0.0005","7.2828","0.0003","90","","90","","90","","1183.35","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H10 N2 O6 Zn -","- C9 H10 N2 O6 Zn -","- C36 H40 N8 O24 Zn4 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0341","0.0299","","","0.0812","0.0843","","","","","","1","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511676","21.9763","0.001","10.4278","0.0004","10.7628","0.0004","90","","90","","90","","2466.45","0.17","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C9 H10 Cd N2 O6 -","- C9 H10 Cd N2 O6 -","- C72 H80 Cd8 N16 O48 -","8","","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0533","0.0376","","","0.0593","0.065","","","","","","0.998","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511677","14.6217","0.0003","8.5579","0.0002","9.3563","0.0002","90","","93.319","0.002","90","","1168.8","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O5 Zn -","- C10 H10 N2 O5 Zn -","- C40 H40 N8 O20 Zn4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0489","0.0406","","","0.1043","0.1116","","","","","","1","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511678","21.078","0.003","4.7782","0.0004","18.462","0.002","90","","114.867","0.014","90","","1687","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N2 O3 -","- C8 H9 N2 O3 -","- C64 H72 N16 O24 -","8","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0812","0.0543","","","0.1195","0.1446","","","","","","1.085","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511679","8.2196","0.0006","9.2915","0.0005","14.0247","0.0008","77.376","0.005","84.259","0.005","75.489","0.005","1010.7","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N4 O6 Zn -","- C18 H20 N4 O6 Zn -","- C36 H40 N8 O12 Zn2 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0569","0.0423","","","0.086","0.0934","","","","","","1","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511680","9.9339","0.0005","10.8715","0.0008","13.3713","0.0009","66.832","0.007","86.057","0.005","73.598","0.005","1272.1","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cd N5 O7 -","- C21 H27 Cd N5 O7 -","- C42 H54 Cd2 N10 O14 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0417","0.0354","","","0.0922","0.0972","","","","","","0.999","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511681","10.2393","0.0005","15.3424","0.0007","9.652","0.0005","90","","105.727","0.005","90","","1459.52","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O6 Zn -","- C12 H18 N2 O6 Zn -","- C48 H72 N8 O24 Zn4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0989","0.0562","","","0.102","0.1193","","","","","","0.999","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511682","11.444","0.006","13.901","0.002","9.682","0.003","90","","114.8","0.05","90","","1398.2","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cd N2 O6 -","- C12 H18 Cd N2 O6 -","- C48 H72 Cd4 N8 O24 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0773","0.0471","","","0.0709","0.0819","","","","","","0.999","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511683","9.2876","0.0004","25.1207","0.0009","25.9555","0.0009","90","","90","","90","","6055.7","0.4","193","","193","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H50 F24 Fe2 N20 O3 P4 -","- C44 H48 F24 Fe2 N20 O3 P4 -","- C176 H192 F96 Fe8 N80 O12 P16 -","4","1","","Sunatsuki, Yukinari; Fujita, Kunihiro; Maruyama, Hisashi; Suzuki, Takayoshi; Ishida, Hiroyuki; Kojima, Masaaki; Glaser, Robert","Chiral Crystal Structure of aP212121Kryptoracemate Iron(II) Complex with an Unsymmetric Azine Ligand and the Observation of Chiral Single Crystal Circular Dichroism","Crystal Growth & Design","2014","14","8","3692","","10.1021/cg500635q","","","0.71075","MoKα","","","0.0443","","","","0.1237","","","","","","1.04","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511684","7.8733","0.0002","9.6661","0.0002","13.1775","0.0005","95.832","0.001","102.659","0.001","114.486","0.002","869.32","0.05","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C23 H15 B F2 O2 -","- C23 H15 B F2 O2 -","- C46 H30 B2 F4 O4 -","2","1","","Alemany, Pere; D’Aléo, Anthony; Giorgi, Michel; Canadell, Enric; Fages, Frédéric","C‒H···BF2O2Interactions in Crystals: A Case for Boron Hydrogen Bonding?","Crystal Growth & Design","2014","14","8","3700","","10.1021/cg5008473","","x-ray","0.71073","MoKα","","0.1064","0.0618","","","0.1714","0.2152","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511685","8.0679","0.0002","8.9156","0.0003","16.6791","0.0005","77.872","0.002","87.581","0.002","74.133","0.003","1128.11","0.06","293","2","293","2","","","","","","","Synthetic Product","4","P 1","P 1","1","doxycycline nitrate salt hemihydrate","2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a- octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, nitrate, hemihydrate, (4S,4aR,5S,5aR,6R,12aS)- (9CI)","","- C44 H52 N6 O23 -","- C44 H52 N6 O23 -","- C44 H52 N6 O23 -","1","1","","Santos, Olímpia M. M.; Silva, Douglas M.; Martins, Felipe T.; Legendre, Alexandre O.; Azarias, Lilian C.; Rosa, Iara M. L.; Neves, Person P.; de Araujo, Magali B.; Doriguetto, Antonio C.","Protonation Pattern, Tautomerism, Conformerism, and Physicochemical Analysis in New Crystal Forms of the Antibiotic Doxycycline","Crystal Growth & Design","2014","14","8","3711","","10.1021/cg500877z","","","1.5418","CuKα","","0.0369","0.0332","","","0.084","0.0867","","","","","","1.027","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511686","11.0979","0.0001","12.7557","0.0001","16.8829","0.0002","90","","90","","90","","2389.97","0.04","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","doxycycline chloride salt dihydrate","2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a- octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, dihydrate, (4S,4aR,5S,5aR,6R,12aS)- (9CI)","","- C22 H29 Cl N2 O10 -","- C22 H29 Cl N2 O10 -","- C88 H116 Cl4 N8 O40 -","4","1","","Santos, Olímpia M. M.; Silva, Douglas M.; Martins, Felipe T.; Legendre, Alexandre O.; Azarias, Lilian C.; Rosa, Iara M. L.; Neves, Person P.; de Araujo, Magali B.; Doriguetto, Antonio C.","Protonation Pattern, Tautomerism, Conformerism, and Physicochemical Analysis in New Crystal Forms of the Antibiotic Doxycycline","Crystal Growth & Design","2014","14","8","3711","","10.1021/cg500877z","","","1.5418","CuKα","","0.0314","0.0282","","","0.07","0.0721","","","","","","1.05","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511687","6.4753","0.0002","9.097","0.0004","42.8077","0.0016","90","","90","","90","","2521.62","0.17","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","doxycycline acetic acid dihydrate","2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a- octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, acetic acid, dihydrate, (4S,4aR,5S,5aR,6R,12aS)- (9CI)","","- C24 H32 N2 O12 -","- C24 H32 N2 O12 -","- C96 H128 N8 O48 -","4","1","","Santos, Olímpia M. M.; Silva, Douglas M.; Martins, Felipe T.; Legendre, Alexandre O.; Azarias, Lilian C.; Rosa, Iara M. L.; Neves, Person P.; de Araujo, Magali B.; Doriguetto, Antonio C.","Protonation Pattern, Tautomerism, Conformerism, and Physicochemical Analysis in New Crystal Forms of the Antibiotic Doxycycline","Crystal Growth & Design","2014","14","8","3711","","10.1021/cg500877z","","","0.71073","MoKα","","0.0715","0.0432","","","0.0928","0.0989","","","","","","0.943","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511688","14.121","0.006","12.638","0.005","27.712","0.012","90","","95.022","0.005","90","","4927","4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C-methylpyrogallol[4]arene with xanthone","","","- C54 H64 O17 -","- C54 H64 O17 -","- C216 H256 O68 -","4","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.121","0.0861","","","0.2357","0.2556","","","","","","1.068","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511689","12.5436","0.001","13.1759","0.001","14.583","0.0011","68.605","0.001","87.655","0.001","82.533","0.001","2225","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","C-methylpyrogallol[4]arene with xanthone","","","- C50 H56 O17 -","- C50 H56 O17 -","- C100 H112 O34 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.0601","0.0446","","","0.1154","0.1275","","","","","","1.024","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511690","13.195","0.003","26.798","0.005","14.844","0.003","90","","91.929","0.002","90","","5245.9","1.9","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C-ethylpyrogallol[4]arene with xanthone","","","- C54.5 H76 O17 -","- C54.5 H76 O17 -","- C218 H304 O68 -","4","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.0945","0.066","","","0.1715","0.1922","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511691","12.2183","0.0011","12.2447","0.0011","17.2323","0.0016","86.549","0.001","83.574","0.001","64.197","0.001","2306.3","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with xanthone","","","- C52 H58 O16 S -","- C52 H58 O16 S -","- C104 H116 O32 S2 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.0522","0.0391","","","0.1027","0.114","","","","","","1.047","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511692","12.7479","0.0003","13.0603","0.0003","14.191","0.0004","98.372","0.001","90.522","0.001","98.042","0.001","2313.47","0.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","C-ethylpyrogallol[4]arene with xanthone","","","- C53 H60 O16 -","- C53 H60 O16 -","- C106 H120 O32 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","1.54178","CuKα","","0.0426","0.041","","","0.1108","0.1125","","","","","","1.039","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511693","12.4166","0.0019","12.4314","0.0019","19.473","0.003","72.312","0.002","83.962","0.002","60.7","0.002","2493.9","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H62 N2 O14 -","- C57 H62 N2 O14 -","- C114 H124 N4 O28 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.0821","0.0538","","","0.1356","0.1516","","","","","","1.054","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511694","12.7989","0.0019","15.169","0.002","16.067","0.002","75.896","0.002","73.037","0.002","87.394","0.002","2892.6","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-propylpyrogallol[4]arene with xanthone","","","- C62.07 H83.3 O17.35 -","- C62.07 H83.3 O17.357 -","- C124.14 H166.6 O34.714 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.1111","0.0968","","","0.2671","0.2823","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511695","12.7772","0.0008","13.0828","0.0009","15.464","0.001","97.204","0.001","90.784","0.001","97.8","0.001","2539.6","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-propylpryogallol[4]arene with xanthone","","","- C57 H68 O16 -","- C57 H68 O16 -","- C114 H136 O32 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.0598","0.0435","","","0.1101","0.1203","","","","","","1.039","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511696","9.513","0.002","10.681","0.004","10.952","0.002","98.71","0.02","98.47","0.02","115.03","0.03","968.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Cd4 Cl8 N4 O4 -","- C28 H36 Cd4 Cl8 N4 O4 -","- C28 H36 Cd4 Cl8 N4 O4 -","1","0.5","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","0.71073","MoKα","","0.0664","0.0595","","","0.1832","0.1996","","","","","","1.085","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511697","7.7819","0.0004","11.6662","0.0005","12.4557","0.0008","90","","90","","90","","1130.79","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 Cd Cl3 N O -","- C7 H10 Cd Cl3 N O -","- C28 H40 Cd4 Cl12 N4 O4 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","0.71073","MoKα","","0.0314","0.0245","","","0.0427","0.045","","","","","","1.032","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511698","9.8733","0.0005","20.4901","0.0011","17.2559","0.0008","90","","94.89","0.005","90","","3478.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cd5 Cl12 N2 O5 -","- C14 H20 Cd5 Cl12 N2 O5 -","- C56 H80 Cd20 Cl48 N8 O20 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","1.54184","CuKα","","0.1271","0.114","","","0.2728","0.2954","","","","","","1.116","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511699","7.6262","0.0005","7.4531","0.0003","7.6295","0.0005","90","","115.423","0.008","90","","391.66","0.05","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Cd O5 S -","- Cd O5 S -","- Cd4 O20 S4 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","1.5418","CuKα","","0.04","0.0399","","","0.1049","0.105","","","","","","1.117","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511700","9.5274","0.0002","7.1161","0.0002","26.9956","0.0006","90","","90","","90","","1830.25","0.08","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cd2 Cl4 N2 O2 -","- C12 H14 Cd2 Cl4 N2 O2 -","- C48 H56 Cd8 Cl16 N8 O8 -","4","0.5","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","0.71073","MoKα","","0.0198","0.0188","","","0.0452","0.0457","","","","","","1.089","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511701","6.5278","0.0003","15.3457","0.0006","11.3396","0.0004","90","","105.729","0.004","90","","1093.39","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cd Cl2 N O -","- C8 H11 Cd Cl2 N O -","- C32 H44 Cd4 Cl8 N4 O4 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","0.71073","MoKα","","0.0307","0.0261","","","0.0593","0.0621","","","","","","1.158","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511702","22.4932","0.0004","7.5119","0.0001","11.9686","0.0002","90","","90","","90","","2022.29","0.06","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 Cd2 Cl6 N2 O2 -","- C12 H16 Cd2 Cl6 N2 O2 -","- C48 H64 Cd8 Cl24 N8 O8 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","1.5418","CuKα","","0.0469","0.0467","","","0.1248","0.1252","","","","","","1.03","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511703","7.5743","0.0003","11.1535","0.0004","13.5879","0.0005","90","","90","","90","","1147.91","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Cd Cl3 N O -","- C8 H12 Cd Cl3 N O -","- C32 H48 Cd4 Cl12 N4 O4 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","1.5418","CuKα","","0.0225","0.0225","","","0.0597","0.0597","","","","","","1.196","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511704","6.3708","0.0007","6.8768","0.0008","12.2249","0.0014","95.797","0.002","97.358","0.002","105.452","0.002","506.83","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cu N4 O8 -","- C20 H22 Cu N4 O8 -","- C20 H22 Cu N4 O8 -","1","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0347","0.0307","","","0.1022","0.1192","","","","","","1.098","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511705","12.6539","0.0011","7.0526","0.0006","24.631","0.002","90","","96.754","0.002","90","","2182.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cu2 N4 O8.3 -","- C20 H17 Cu2 N4 O8.3 -","- C80 H68 Cu8 N16 O33.2 -","4","1","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0429","0.0318","","","0.1108","0.1359","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511706","10.5253","0.0014","13.2136","0.0018","7.3239","0.001","90","","92.775","0.003","90","","1017.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cl Cu N2 O2 -","- C10 H7 Cl Cu N2 O2 -","- C40 H28 Cl4 Cu4 N8 O8 -","4","1","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0636","0.053","","","0.1897","0.2113","","","","","","1.001","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511707","13.4425","0.0013","14.4204","0.0013","20.4469","0.0019","90","","108.168","0.002","90","","3766","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H51.5 Cu3 N12 O20 -","- C60 H42 Cu3 N12 O19.8 -","- C120 H84 Cu6 N24 O39.6 -","2","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0873","0.0688","","","0.2238","0.2501","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511708","10.1459","0.0003","10.1459","0.0003","23.8634","0.0017","90","","90","0.001","90","","2456.5","0.2","296","2","296","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C20 H18 Cd N4 O7 -","- C20 H18 Cd N4 O7 -","- C80 H72 Cd4 N16 O28 -","4","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0456","0.0319","","","0.0946","0.1008","","","","","","1.146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511709","7.5104","0.001","22.82","0.003","10.8562","0.0014","90","","90","","90","","1860.6","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H14 Cd N4 O4 -","- C20 H14 Cd N4 O4 -","- C80 H56 Cd4 N16 O16 -","4","1","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0224","0.0201","","","0.0505","0.0515","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511710","16.1322","0.0018","15.7981","0.0018","11.6042","0.0013","90","","90","","90","","2957.4","0.6","200","","200","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H28 Cd N6 O6 -","- C26 H28 Cd N6 O6 -","- C104 H112 Cd4 N24 O24 -","4","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0436","0.0348","","","0.0896","0.0927","","","","","","1.055","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511711","13.202","0.004","27.475","0.008","7.641","0.002","90","","123.254","0.004","90","","2317.7","1.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H30 Cd2 N8 O9 -","- C40 H30 Cd2 N8 O9 -","- C80 H60 Cd4 N16 O18 -","2","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.064","0.0511","","","0.1151","0.1194","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511712","8.4831","0.0005","10.06","0.0006","12.0787","0.0007","113.522","0.001","92.857","0.001","105.586","0.001","895.88","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N4 O5 Zn -","- C20 H16 N4 O5 Zn -","- C40 H32 N8 O10 Zn2 -","2","1","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0361","0.0313","","","0.1109","0.1339","","","","","","1.069","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511713","16.0788","0.0015","15.177","0.0015","11.3011","0.0011","90","","90","","90","","2757.8","0.5","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0513","0.0319","","","0.0859","0.0956","","","","","","0.98","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511714","15.9834","0.0015","15.2006","0.0014","11.3984","0.0011","90","","90","","90","","2769.3","0.5","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H14 Co N4 O4 -","- C20 H14 Co N4 O4 -","- C80 H56 Co4 N16 O16 -","4","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0583","0.0414","","","0.1355","0.1435","","","","","","1.045","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511715","12.065","0.005","11.414","0.005","13.752","0.005","90","","92.538","0.007","90","","1891.9","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N4 O6 -","- C19 H22 N4 O6 -","- C76 H88 N16 O24 -","4","1","","Krasnov, Konstantin A.; Khrustalev, Victor N.","Diastereoselective T-Reaction of 1-Alkyl-5-(5-nitro-2-N-morpholino-benzylidene)barbituric Acids in the Solid State: Synthesis of 1-Alkyl-2,4,6-trioxoperhydropyrimidino-5-spiro-10′-(7′-nitro-1′,3′,4′,9′,10′,10a′-hexahydro-2′-oxa)-4a′-azaphenanthrenes and Their 2′-Thia Analogues","Crystal Growth & Design","2014","14","8","3975","","10.1021/cg500570u","","","0.71073","MoKα","","0.1114","0.0552","","","0.1006","0.1168","","","","","","1","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511716","6.7833","0.0003","11.0656","0.0005","13.3501","0.0006","70.288","0.001","87.062","0.001","84.885","0.001","939.36","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O6 -","- C19 H22 N4 O6 -","- C38 H44 N8 O12 -","2","1","","Krasnov, Konstantin A.; Khrustalev, Victor N.","Diastereoselective T-Reaction of 1-Alkyl-5-(5-nitro-2-N-morpholino-benzylidene)barbituric Acids in the Solid State: Synthesis of 1-Alkyl-2,4,6-trioxoperhydropyrimidino-5-spiro-10′-(7′-nitro-1′,3′,4′,9′,10′,10a′-hexahydro-2′-oxa)-4a′-azaphenanthrenes and Their 2′-Thia Analogues","Crystal Growth & Design","2014","14","8","3975","","10.1021/cg500570u","","","0.71073","MoKα","","0.0479","0.0397","","","0.1019","0.1071","","","","","","1.001","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511717","14.066","0.003","17.611","0.004","24.426","0.005","98.68","0.03","95.62","0.03","91.79","0.03","5946","2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H67.5 N4 O27.75 S4 -","- C56 H44 N4 O27.75 S4 -","- C224 H176 N16 O111 S16 -","4","2","","Wang, Kui; Yang, En-Cui; Zhao, Xiao-Jun; Dou, Hong-Xi; Liu, Yu","Molecular Binding Behaviors of Sulfonated Calixarenes with Phenanthroline-diium in Aqueous Solution and Solid State: Cavity Size Governing Capsule Formation","Crystal Growth & Design","2014","14","9","4631","","10.1021/cg500730m","","","0.71073","MoKα","","0.1272","0.1045","","","0.2488","0.2649","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511718","12.354","0.003","14.404","0.003","16.103","0.003","69.19","0.03","88.31","0.03","82.76","0.03","2656.8","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 N4 O20 S8 -","- C52 H36 N4 O20 S8 -","- C104 H72 N8 O40 S16 -","2","1","","Wang, Kui; Yang, En-Cui; Zhao, Xiao-Jun; Dou, Hong-Xi; Liu, Yu","Molecular Binding Behaviors of Sulfonated Calixarenes with Phenanthroline-diium in Aqueous Solution and Solid State: Cavity Size Governing Capsule Formation","Crystal Growth & Design","2014","14","9","4631","","10.1021/cg500730m","","","0.71073","MoKα","","0.0596","0.0436","","","0.1247","0.1333","","","","","","1.099","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511719","11.177","0.002","14.903","0.003","19.97","0.004","95.73","0.03","93.96","0.03","94.51","0.03","3289.6","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H71 N4 O30.5 S5 -","- C63 H49 N4 O30.5 S5 -","- C126 H98 N8 O61 S10 -","2","1","","Wang, Kui; Yang, En-Cui; Zhao, Xiao-Jun; Dou, Hong-Xi; Liu, Yu","Molecular Binding Behaviors of Sulfonated Calixarenes with Phenanthroline-diium in Aqueous Solution and Solid State: Cavity Size Governing Capsule Formation","Crystal Growth & Design","2014","14","9","4631","","10.1021/cg500730m","","","0.71073","MoKα","","0.0864","0.0734","","","0.2053","0.2187","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511720","11.632","0.003","14.062","0.003","8.24","0.001","90","","107.01","0.01","90","","1288.8","0.5","220","","220","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","molecular complex (1:1) of paraldehyde with chloroform","2,4,6-trimethyl-1,3,5-trioxane tribromomethane (1:1)","","- C7 H13 Br3 O3 -","- C7 H13 Br3 O3 -","- C28 H52 Br12 O12 -","4","1","","Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.","Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs","Crystal Growth & Design","2014","14","9","4303","","10.1021/cg500354t","","x-ray","0.71073","MoKα","K-L~3~","0.1224","0.0554","","","0.1238","0.1465","","","","","","0.974","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511721","11.579","0.009","13.627","0.01","7.941","0.004","90","","107","0.015","90","","1198.2","1.4","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","molecular complex (1:1) of paraldehyde with chloroform","2,4,6-trimethyl-1,3,5-trioxane trichloromethane (1:1)","","- C7 H13 Cl3 O3 -","- C7 H13 Cl3 O3 -","- C28 H52 Cl12 O12 -","4","1","","Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.","Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs","Crystal Growth & Design","2014","14","9","4303","","10.1021/cg500354t","","x-ray","0.71073","MoKα","K-L~3~","0.063","0.0386","","","0.0941","0.1077","","","","","","1.087","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511722","12.016","0.002","10.6738","0.0014","4.4634","0.0005","90","","90","","90","","572.46","0.14","230","0.2","230","0.2","","","","","","","","4","P m n 21","P 2ac -2","31","molecular complex (1:1) of paraldehyde with dibromomethane","2,4,6-trimethyl-1,3,5-trioxane dibromomethane (1:1)","","- C7 H14 Br2 O3 -","- C7 H14 Br2 O3 -","- C14 H28 Br4 O6 -","2","0.5","","Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.","Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs","Crystal Growth & Design","2014","14","9","4303","","10.1021/cg500354t","","x-ray","0.71073","MoKα","","0.0586","0.0444","","","0.1134","0.1223","","","","","","0.984","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511723","11.703","0.003","10.49","0.002","4.4154","0.0007","90","","90","","90","","542.05","0.19","210","","210","","","","","","","","","4","P m n 21","P 2ac -2","31","molecular complex (1:1) of paraldehyde with dichloromethane","2,4,6-trimethyl-1,3,5-trioxane dichloromethane (1:1)","","- C7 H14 Cl2 O3 -","- C7 H14 Cl2 O3 -","- C14 H28 Cl4 O6 -","2","0.5","","Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.","Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs","Crystal Growth & Design","2014","14","9","4303","","10.1021/cg500354t","","x-ray","0.71073","MoKα","K-L~3~","0.0531","0.0356","","","0.0894","0.1012","","","","","","1.023","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511724","12.8475","0.0012","8.1256","0.0005","14.3082","0.0013","90","","90","","90","","1493.7","0.2","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","paraldehyde","2,4,6-trimethyl-1,3,5-trioxane","","- C6 H12 O3 -","- C6 H12 O3 -","- C48 H96 O24 -","8","1","","Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.","Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs","Crystal Growth & Design","2014","14","9","4303","","10.1021/cg500354t","","x-ray","0.71073","MoKα","K-L~3~","0.0468","0.0328","","","0.0868","0.0985","","","","","","1.068","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511725","5.7118","0.0002","15.0846","0.0004","15.2666","0.0004","90","","90","","90","","1315.37","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-1-(4-Methylphenyl)-5-phenylpent-2-en-4-yn-1-one","","- C18 H14 O -","- C18 H14 O -","- C72 H56 O4 -","4","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","1.54178","CuKα","","0.03","0.0287","","","0.0783","0.0793","","","","","","0.996","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511726","5.402","0.003","14.878","0.008","16.625","0.01","90","","90","","90","","1336.2","1.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-1-(4-Methoxyphenyl)-5-phenylpent-2-en-4-yn-1-one","","- C18 H14 O2 -","- C18 H14 O2 -","- C72 H56 O8 -","4","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","0.71073","MoKα","","0.0889","0.0475","","","0.0804","0.0945","","","","","","1.003","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511727","15.1646","0.0005","5.5972","0.0002","16.652","0.0005","90","","92.678","0.002","90","","1411.87","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1,5-Bis(4-methylphenyl)-pent-2-en-4-yn-1-one","","- C19 H16 O -","- C19 H16 O -","- C76 H64 O4 -","4","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","1.54178","CuKα","","0.0426","0.0363","","","0.0861","0.091","","","","","","1","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511728","14.2242","0.0007","5.7666","0.0003","34.8348","0.0016","90","","90","","90","","2857.3","0.2","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(E)-1-(4-Chlorophenyl)-5-(4-methylphenylpent)-2-en-4-yn-1-one","","- C18 H13 Cl O -","- C18 H13 Cl O -","- C144 H104 Cl8 O8 -","8","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","1.54178","CuKα","","0.0692","0.0554","","","0.1313","0.1428","","","","","","0.998","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511729","15.1861","0.0019","10.2844","0.0012","16.0453","0.0019","90","","90","","90","","2506","0.5","140","2","140","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-1,5-Diphenyl)-pent-4-en-2-yn-1-one","","- C17 H12 O -","- C17 H12 O -","- C136 H96 O8 -","8","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","0.71073","MoKα","","0.0645","0.0423","","","0.0844","0.0998","","","","","","1.014","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511730","13.5242","0.0002","13.479","0.00029","23.9472","0.0005","90","","100.92","0.0011","90","","4286.36","0.14","298","2","298","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","1,4-bis[4-estren-17?-ethynyl-18a-homo-17?-ol-3-one]-benzene","","- C50 H61 N O4 -","- C50 H61 N O4 -","- C200 H244 N4 O16 -","4","2","","Ramirez-Montes, Pedro I.; Ochoa, María E.; Santillan, Rosa; Ramírez, Daniel J.; Farfán, Norberto","Steroidal Wheel-and-Axle Host Type Molecules: Insights from Awkward Shape, Conformation,Z′ > 1 and Packing","Crystal Growth & Design","2014","14","9","4681","","10.1021/cg500772f","","x-ray","0.71073","MoKα","","0.1415","0.0938","","","0.2083","0.232","","","","","","1.14","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511731","21.2058","0.0007","17.4701","0.0011","17.1129","0.0008","90","","125.14","0.0022","90","","5184.3","0.5","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","1,4-bis(17?-hydroxy-17?-ethynyl-4-estren-3-one)-2,3-difluorobenzene","","- C46 H52 F2 O4 -","- C46 H52 F2 O4 -","- C184 H208 F8 O16 -","4","1","","Ramirez-Montes, Pedro I.; Ochoa, María E.; Santillan, Rosa; Ramírez, Daniel J.; Farfán, Norberto","Steroidal Wheel-and-Axle Host Type Molecules: Insights from Awkward Shape, Conformation,Z′ > 1 and Packing","Crystal Growth & Design","2014","14","9","4681","","10.1021/cg500772f","","x-ray","0.71073","MoKα","","0.1999","0.106","","","0.2651","0.3298","","","","","","1.027","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511732","13.4822","0.0002","13.4861","0.0002","24.1921","0.0004","90","","96.0156","0.0007","90","","4374.44","0.12","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,4-bis(18a-Homo-17?-hydroxy-17?-ethynyl-4-estren-3-one) -2,3-difluorobenzene","","- C50 H59 F2 N O4 -","- C50 H59 F2 N O4 -","- C200 H236 F8 N4 O16 -","4","2","","Ramirez-Montes, Pedro I.; Ochoa, María E.; Santillan, Rosa; Ramírez, Daniel J.; Farfán, Norberto","Steroidal Wheel-and-Axle Host Type Molecules: Insights from Awkward Shape, Conformation,Z′ > 1 and Packing","Crystal Growth & Design","2014","14","9","4681","","10.1021/cg500772f","","x-ray","0.71073","MoKα","","0.1203","0.0767","","","0.1694","0.1904","","","","","","1.108","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511733","12.3691","0.0005","12.3715","0.0009","15.6775","0.0011","90.07","0.006","113.174","0.005","119.983","0.006","1850.4","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H18 Cu6 N6 O12 S6 -","- C36 H18 Cu6 N6 O12 S6 -","- C36 H18 Cu6 N6 O12 S6 -","1","0.5","","Kundu, Tanaya; Jana, Ajay Kumar; Natarajan, Srinivasan","Stepwise Crystallization: Illustrative Examples of the Use of Metalloligands [Cu6(mna)6]6‒and [Ag6(Hmna)2(mna)4]4‒(H2mna= 2-Mercapto Nicotinic Acid) in the Formation of Heterometallic Two- and Three-Dimensional Assemblies withbrucite,pcu, andsqlTopologies","Crystal Growth & Design","2014","14","9","4531","","10.1021/cg500632d","","","0.71073","MoKα","","0.1019","0.0668","","","0.1901","0.2189","","","","","","0.976","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511734","12.4305","0.0004","12.4305","0.0004","33.8994","0.0017","90","","90","","120","","4536.3","0.3","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","Cu,Mn-2-mercaptonicotinic acid","","","- C36 H54 Cu6 Mn3 N6 O30 S6 -","- C36 H54 Cu6 Mn3 N6 O30 S6 -","- C108 H162 Cu18 Mn9 N18 O90 S18 -","3","0.166667","","Kundu, Tanaya; Jana, Ajay Kumar; Natarajan, Srinivasan","Stepwise Crystallization: Illustrative Examples of the Use of Metalloligands [Cu6(mna)6]6‒and [Ag6(Hmna)2(mna)4]4‒(H2mna= 2-Mercapto Nicotinic Acid) in the Formation of Heterometallic Two- and Three-Dimensional Assemblies withbrucite,pcu, andsqlTopologies","Crystal Growth & Design","2014","14","9","4531","","10.1021/cg500632d","","","0.71073","MoKα","","0.0495","0.037","","","0.0662","0.0713","","","","","","1.037","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511735","12.3484","0.0006","12.466","0.0005","14.098","0.0008","97.148","0.004","108.384","0.005","119.315","0.005","1690.7","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","Cu,Mn-2mercaptonicotinic acid red","","","- C18 H24 Cu3 Mn2 N3 O16 S3 -","- C18 H24 Cu3 Mn2 N3 O16 S3 -","- C36 H48 Cu6 Mn4 N6 O32 S6 -","2","1","","Kundu, Tanaya; Jana, Ajay Kumar; Natarajan, Srinivasan","Stepwise Crystallization: Illustrative Examples of the Use of Metalloligands [Cu6(mna)6]6‒and [Ag6(Hmna)2(mna)4]4‒(H2mna= 2-Mercapto Nicotinic Acid) in the Formation of Heterometallic Two- and Three-Dimensional Assemblies withbrucite,pcu, andsqlTopologies","Crystal Growth & Design","2014","14","9","4531","","10.1021/cg500632d","","","0.71073","MoKα","","0.0382","0.0338","","","0.0798","0.0829","","","","","","1.031","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511736","22.5369","0.0005","12.3093","0.0002","25.3732","0.0005","90","","107.09","0.002","90","","6728.1","0.2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Ag,Mn-2-mercaptonicotinic acid","","","- C36 H18 Ag6 Mn2 N6 O37 S6 -","- C36 H18 Ag6 Mn2 N6 O37 S6 -","- C144 H72 Ag24 Mn8 N24 O148 S24 -","4","0.5","","Kundu, Tanaya; Jana, Ajay Kumar; Natarajan, Srinivasan","Stepwise Crystallization: Illustrative Examples of the Use of Metalloligands [Cu6(mna)6]6‒and [Ag6(Hmna)2(mna)4]4‒(H2mna= 2-Mercapto Nicotinic Acid) in the Formation of Heterometallic Two- and Three-Dimensional Assemblies withbrucite,pcu, andsqlTopologies","Crystal Growth & Design","2014","14","9","4531","","10.1021/cg500632d","","","0.71073","MoKα","","0.0481","0.0418","","","0.1072","0.1113","","","","","","1.052","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511737","17.301","0.003","17.301","0.003","10.1195","0.0017","90","","90","","90","","3029","0.9","150","2","150","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- C14 H12 Li2 O10 -","- C10 H4 Li2 O8 -","- C80 H32 Li16 O64 -","8","0.25","","Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.","Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study","Crystal Growth & Design","2014","14","9","4355","","10.1021/cg500477s","","x-ray","0.71073","MoKα","","0.0454","0.0434","","","0.1237","0.125","","","","","","1.207","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511738","5.0422","0.0003","7.1471","0.0005","7.2031","0.0005","83.237","0.002","76.586","0.002","81.731","0.002","248.91","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H4 Li2 O8 -","- C10 H4 Li2 O8 -","- C10 H4 Li2 O8 -","1","0.5","","Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.","Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study","Crystal Growth & Design","2014","14","9","4355","","10.1021/cg500477s","","x-ray","0.71073","MoKα","","0.0374","0.0319","","","0.084","0.0884","","","","","","1.063","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511739","4.9748","0.0002","37.2189","0.0012","16.0246","0.0005","90","","92.582","0.001","90","","2964.05","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Li N6 O11 -","- C24 H17 Li N6 O7 -","- C96 H68 Li4 N24 O28 -","4","1","","Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.","Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study","Crystal Growth & Design","2014","14","9","4355","","10.1021/cg500477s","","x-ray","0.71073","MoKα","","0.0961","0.0746","","","0.2127","0.2254","","","","","","1.069","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511740","18.6108","0.0007","18.6108","0.0007","19.3734","0.0007","90","","90","","120","","5811.2","0.4","150","2","150","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C86 H101 Li11 O58 -","- C66 H48 Li11 O48.02 -","- C132 H96 Li22 O96.04 -","2","0.166667","","Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.","Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study","Crystal Growth & Design","2014","14","9","4355","","10.1021/cg500477s","","x-ray","0.71073","MoKα","","0.0929","0.083","","","0.2617","0.2724","","","","","","1.09","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511741","16.3128","0.0004","16.4758","0.0005","29.1404","0.0008","90","","91.924","0.001","90","","7827.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H84 Li5 N7 O27 -","- C57 H63 Li5 N6 O25 -","- C228 H252 Li20 N24 O100 -","4","1","","Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.","Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study","Crystal Growth & Design","2014","14","9","4355","","10.1021/cg500477s","","x-ray","0.71073","MoKα","","0.123","0.1004","","","0.3227","0.3444","","","","","","1.365","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511742","7.741","0.005","9.604","0.005","10.2","0.005","113.291","0.005","107.492","0.005","92.45","0.005","652.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Mo6 N4 O19 -","- C14 H14 Mo6 N4 O19 -","- C14 H14 Mo6 N4 O19 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71069","MoKα","","0.0293","0.0285","","","0.0885","0.0892","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511743","11.4391","0.0005","11.9757","0.0005","12.3265","0.0006","67.301","0.001","87.752","0.001","73.715","0.001","1490.78","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Cu Mo4 N6 O14 -","- C21 H20 Cu Mo4 N6 O14 -","- C42 H40 Cu2 Mo8 N12 O28 -","2","1","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71073","MoKα","","0.0434","0.0295","","","0.0639","0.0699","","","","","","1.013","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511744","9.9705","0.0016","11.4405","0.0019","13.258","0.002","76.876","0.002","78.266","0.003","65.948","0.003","1334.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H31 N8 O40 P W12 -","- C28 H28 N8 O40 P W12 -","- C28 H28 N8 O40 P W12 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71073","MoKα","","0.077","0.0593","","","0.1452","0.1529","","","","","","1.059","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511745","15.117","0.005","24.346","0.005","24.353","0.005","90","0.005","99.291","0.005","90","0.005","8845","4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H55 Cu2 N16 O40 P W12 -","- C56 H55 Cu2 N16 O40 P W12 -","- C224 H220 Cu8 N64 O160 P4 W48 -","4","1","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71069","MoKα","","0.1071","0.0835","","","0.223","0.2372","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511746","14.505","0.005","15.007","0.005","22.506","0.005","88.425","0.005","83.881","0.005","81.521","0.005","4818","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H55 Cu N14 O65 P2 W18 -","- C49 H49 Cu N14 O65 P2 W18 -","- C98 H98 Cu2 N28 O130 P4 W36 -","2","1","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71069","MoKα","","0.0835","0.0585","","","0.1486","0.1671","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511747","13.152","0.005","25.208","0.005","34.395","0.005","90","0.005","98.43","0.005","90","0.005","11280","5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 Cu3 K N12 O62 P2 W18 -","- C42 H42 Cu3 K N12 O62 P2 W18 -","- C168 H168 Cu12 K4 N48 O248 P8 W72 -","4","1","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71069","MoKα","","0.0922","0.0718","","","0.1864","0.1975","","","","","","0.926","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511748","16.1305","0.0005","17.9824","0.0005","22.1697","0.0007","92.101","0.002","106.955","0.003","106.132","0.003","5860.3","0.3","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C72 H162 Au25 S18 -","- C72 H162 Au25 S18 -","- C144 H324 Au50 S36 -","2","1","","De Nardi, Marco; Antonello, Sabrina; Jiang, De-En; Pan, Fangfang; Rissanen, Kari; Ruzzi, Marco; Venzo, Alfonso; Zoleo, Alfonso; Maran, Flavio","Gold Nanowired: A Linear (Au25)n Polymer from Au25 Molecular Clusters.","ACS nano","2014","8","8","8505","8512","10.1021/nn5031143","","","1.54184","CuKα","","0.0648","0.055","","","0.1462","0.1582","","","","","","1.024","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511749","11.1905","0.0003","11.1905","0.0003","26.6938","0.0015","90","","90","","120","","2894.9","0.2","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H13 Gd N4 O9 -","- C18 H13 Gd N4 O9 -","- C108 H78 Gd6 N24 O54 -","6","1","","Mihalcea, Ionut; Zill, Nicolas; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Spontaneous Resolution in Homochiral Helical [Ln(nic)2(Hnic)(NO3)] Coordination Polymers Constructed from a Rigid Non-chiral Organic Ligand","Crystal Growth & Design","2014","14","9","4729","","10.1021/cg500827u","","","0.71073","MoKα","","0.0166","0.0166","","","0.0393","0.0393","","","","","","1.042","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511750","11.1955","0.0003","11.1955","0.0003","26.7384","0.0014","90","","90","","120","","2902.37","0.19","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 Eu N4 O9 -","- C18 H13 Eu N4 O9 -","- C108 H78 Eu6 N24 O54 -","6","1","","Mihalcea, Ionut; Zill, Nicolas; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Spontaneous Resolution in Homochiral Helical [Ln(nic)2(Hnic)(NO3)] Coordination Polymers Constructed from a Rigid Non-chiral Organic Ligand","Crystal Growth & Design","2014","14","9","4729","","10.1021/cg500827u","","","0.71073","MoKα","","0.0163","0.0159","","","0.0385","0.0387","","","","","","1.051","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511751","11.1793","0.0003","11.1793","0.0003","26.6236","0.0015","90","","90","","120","","2881.6","0.2","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H13 N4 O9 Tb -","- C18 H13 N4 O9 Tb -","- C108 H78 N24 O54 Tb6 -","6","1","","Mihalcea, Ionut; Zill, Nicolas; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Spontaneous Resolution in Homochiral Helical [Ln(nic)2(Hnic)(NO3)] Coordination Polymers Constructed from a Rigid Non-chiral Organic Ligand","Crystal Growth & Design","2014","14","9","4729","","10.1021/cg500827u","","","0.71073","MoKα","","0.0187","0.0186","","","0.0448","0.0449","","","","","","1.018","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511752","13.22953","0.0002","4.69411","0.000068","6.06453","0.000094","90","","90","","90","","376.613","0.01","743","","743","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","potassium metaarsenate, alpha","","","- As K O3 -","- As K O3 -","- As4 K4 O12 -","4","1","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","powder diffraction","","1.54056","CuKα~1~","","0.0509","","","","","","","","5.298","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511753","8.9167","0.0009","19.0517","0.0019","12.1362","0.0011","90","","90.149","0.005","90","","2061.7","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","potassium metaarsenate, beta","","","- As K O3 -","- As K O3 -","- As24 K24 O72 -","24","6","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.0906","0.0314","","","0.0284","0.0336","","","","1.31","1.31","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511754","8.9748","0.0003","19.1172","0.0006","12.166","0.0003","90","","90.1844","0.0018","90","","2087.35","0.11","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","potassium metaarsenate, beta","","","- As K O3 -","- As K O3 -","- As24 K24 O72 -","24","6","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.1239","0.0317","","","0.0278","0.0363","","","","1.24","1.24","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511755","9.0332","0.0004","19.187","0.0008","12.184","0.0005","90","","90.235","0.003","90","","2111.71","0.15","450","","450","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","potassium metaarsenate, beta","","","- As K O3 -","- As K O3 -","- As24 K24 O72 -","24","6","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.0926","0.028","","","0.026","0.0313","","","","1.31","1.31","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511756","9.192","0.004","10.285","0.004","11.992","0.003","105.74","0.03","90","0.04","103.69","0.04","1057.7","0.7","573","","573","","","","","","","","","3","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","","","","- As K O3 -","- As K O3 -","- As12 K12 O36 -","12","","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.7107","MoKα","","0.2063","0.1203","","","0.1492","0.1622","","","","3.31","3.31","2.01","","","","has coordinates","288070","2023-12-06","12:55:45",""
"4511757","9.0742","0.0017","10.2593","0.0017","12.007","0.004","105.375","0.008","90.02","0.03","104.188","0.008","1042.4","0.4","340","","340","","","","","","","","","4","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","potassium metaarsenate, beta","","","- As K0.798 O3 Rb0.202 -","- As K0.797667 O3 Rb0.202333 -","- As12 K9.572 O36 Rb2.428 -","12","","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.1091","0.0424","","","0.0403","0.0458","","","","1.44","1.44","1.16","","","","has coordinates","288070","2023-12-06","12:56:01",""
"4511758","11.3246","0.0001","11.4255","0.0004","4.8816","0.0003","90","","90","","90","","631.63","0.05","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","potassium metaarsenate, gamma","","","- As K O3 -","- As K O3 -","- As8 K8 O24 -","8","1","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.0332","0.0257","","","0.0441","0.0445","","","","3.04","3.04","2.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511759","25.5845","0.0007","24.5597","0.0007","19.0518","0.0007","90","","105.291","0.004","90","","11547.4","0.7","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H126 Co2 Fe4 N6 O26 -","- C80 H126 Co1.98 Fe4.02 N6 O26 -","- C320 H504 Co7.92 Fe16.08 N24 O104 -","4","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch.; Filippova, Irina G.; Hauser, Jürg; Speldrich, Manfred; Hermann, Raphaël P.; Krämer, Karl W.; Liu, Shi-Xia; Decurtins, Silvio; Kögerler, Paul; Baca, Svetlana G.","Interpenetrated (8,3)-c and (10,3)-b Metal‒Organic Frameworks Based on {FeIII3} and {FeIII2CoII} Pivalate Spin Clusters","Crystal Growth & Design","2014","14","9","4721","","10.1021/cg5008236","","","0.71073","MoKα","","0.0936","0.0667","","","0.1942","0.2119","","","","","","1.001","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511760","38.8452","0.0008","38.8452","0.0008","24.8241","0.0007","90","","90","","120","","32439.9","1.3","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C91.5 H169 Cl3 Fe6 N6 O44 -","- C91.5 H134.484 Cl3 Fe6 N6 O31.01 -","- C732 H1075.87 Cl24 Fe48 N48 O248.08 -","8","0.333333","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch.; Filippova, Irina G.; Hauser, Jürg; Speldrich, Manfred; Hermann, Raphaël P.; Krämer, Karl W.; Liu, Shi-Xia; Decurtins, Silvio; Kögerler, Paul; Baca, Svetlana G.","Interpenetrated (8,3)-c and (10,3)-b Metal‒Organic Frameworks Based on {FeIII3} and {FeIII2CoII} Pivalate Spin Clusters","Crystal Growth & Design","2014","14","9","4721","","10.1021/cg5008236","","","0.71073","MoKα","","0.139","0.0849","","","0.2254","0.2464","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511761","6.2062","0.0018","12.573","0.005","22.12","0.01","90","","90","","90","","1726","1.2","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","","Sarkar, Anindita; Ragab, Doaa; Rohani, Sohrab","Polymorphism of Progesterone: A New Approach for the Formation of Form II and the Relative Stabilities of Form I and Form II","Crystal Growth & Design","2014","14","9","4574","","10.1021/cg5006727","","","0.71073","MoKα","","0.0942","0.0498","","","0.088","0.1031","","","","","","0.989","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511762","25.5408","0.0003","6.8099","0.0001","16.3783","0.0002","90","","95.373","0.001","90","","2836.17","0.06","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 N16 O4 -","- C8 N16 O4 -","- C64 N128 O32 -","8","1","","Suponitsky, Kyrill Yu.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Kozeev, Andrei M.; Sheremetev, Aleksei B.","Role of Weak Intermolecular Interactions in the Crystal Structure of Tetrakis-furazano[3,4-c:3′,4′-g:3″,4″-k:3‴,4‴-o][1,2,5,6,9,10,13,14]octaazacyclohexadecine and Its Solvates","Crystal Growth & Design","2014","14","9","4439","","10.1021/cg500533f","","","0.71073","MoKα","","0.0621","0.0418","","","0.1122","0.1287","","","","","","1.055","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511763","30.418","0.0005","7.0834","0.0001","16.039","0.0002","90","","108.686","0.001","90","","3273.65","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H2 Cl N16 O4 -","- C9 H2 Cl N16 O4 -","- C72 H16 Cl8 N128 O32 -","8","1","","Suponitsky, Kyrill Yu.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Kozeev, Andrei M.; Sheremetev, Aleksei B.","Role of Weak Intermolecular Interactions in the Crystal Structure of Tetrakis-furazano[3,4-c:3′,4′-g:3″,4″-k:3‴,4‴-o][1,2,5,6,9,10,13,14]octaazacyclohexadecine and Its Solvates","Crystal Growth & Design","2014","14","9","4439","","10.1021/cg500533f","","","0.71073","MoKα","","0.0633","0.0402","","","0.1082","0.1371","","","","","","1.145","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511764","15.1136","0.0017","6.5756","0.0008","18.463","0.002","90","","113.538","0.002","90","","1682.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H3 N17 O4 -","- C10 H3 N17 O4 -","- C40 H12 N68 O16 -","4","1","","Suponitsky, Kyrill Yu.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Kozeev, Andrei M.; Sheremetev, Aleksei B.","Role of Weak Intermolecular Interactions in the Crystal Structure of Tetrakis-furazano[3,4-c:3′,4′-g:3″,4″-k:3‴,4‴-o][1,2,5,6,9,10,13,14]octaazacyclohexadecine and Its Solvates","Crystal Growth & Design","2014","14","9","4439","","10.1021/cg500533f","","","0.71073","MoKα","","0.0633","0.0391","","","0.0851","0.0961","","","","","","1.006","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511765","5.8452","0.0004","14.3835","0.0009","21.7712","0.0013","90","","92.205","0.003","90","","1829","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O3 S2 -","- C19 H17 N3 O3 S2 -","- C76 H68 N12 O12 S8 -","4","1","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.0404","0.0343","","","0.14","0.1477","","","","","","1.262","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511766","8.5613","0.0006","15.6676","0.0009","32.2872","0.0019","90","","90","","90","","4330.8","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N6 O4 S -","- C20 H22 N6 O4 S -","- C160 H176 N48 O32 S8 -","8","1","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.0848","0.0588","","","0.1747","0.1923","","","","","","1.212","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511767","11.408","0.002","11.644","0.003","18.448","0.004","90","","101.324","0.014","90","","2402.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O4 S -","- C27 H22 N2 O4 S -","- C108 H88 N8 O16 S4 -","4","1","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.0723","0.0404","","","0.1212","0.1461","","","","","","0.935","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511768","22.293","0.002","7.7975","0.0007","16.0553","0.0014","90","","91.814","0.005","90","","2789.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O9 S -","- C29 H28 N2 O9 S -","- C116 H112 N8 O36 S4 -","4","1","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.1829","0.0694","","","0.16","0.2169","","","","","","0.964","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511769","17.231","0.007","16.772","0.007","20.727","0.008","90","","90","","90","","5990","4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H32 N10 O6 S -","- C28 H32 N10 O6 S -","- C224 H256 N80 O48 S8 -","8","2","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.1394","0.0724","","","0.1663","0.2028","","","","","","0.969","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511770","13.2304","0.0002","30.2578","0.0005","13.691","0.0003","90","","102.448","0.001","90","","5351.98","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 N6 O6 S3 -","- C24 H28 N6 O6 S3 -","- C192 H224 N48 O48 S24 -","8","1","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.0685","0.0405","","","0.1223","0.1448","","","","","","0.944","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511771","5.6515","0.0002","15.9119","0.0004","32.7063","0.0009","90","","90","","90","","2941.15","0.15","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N2 S2 -","- C7 H5 N2 S2 -","- C112 H80 N32 S32 -","16","4","","Domagała, Sławomir; Kosc, Krzysztof; Robinson, Sean W.; Haynes, Delia A.; Woźniak, Krzysztof","Dithiadiazolyl Radicals—Structures and Charge Densities of Their Crystals and Co-Crystal","Crystal Growth & Design","2014","14","9","4834","","10.1021/cg501013x","","x-ray","0.71073","MOKα","","0.0132","0.0132","","","0.0134","0.0134","","","","","","1.662","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511772","17.988","0.0009","10.6195","0.0005","10.8053","0.0005","90","","123.369","0.002","90","","1723.8","0.15","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 F5 N2 S2 -","- C7 F5 N2 S2 -","- C56 F40 N16 S16 -","8","1","","Domagała, Sławomir; Kosc, Krzysztof; Robinson, Sean W.; Haynes, Delia A.; Woźniak, Krzysztof","Dithiadiazolyl Radicals—Structures and Charge Densities of Their Crystals and Co-Crystal","Crystal Growth & Design","2014","14","9","4834","","10.1021/cg501013x","","x-ray","0.71073","MOKα","","0.01","0.01","","","0.0114","0.0114","","","","","","1.984","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511773","11.3455","0.0004","11.6462","0.0004","12.1589","0.0005","90","","94.707","0.002","90","","1601.16","0.1","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H5 F5 N4 S4 -","- C14 H5 F5 N4 S4 -","- C56 H20 F20 N16 S16 -","4","1","","Domagała, Sławomir; Kosc, Krzysztof; Robinson, Sean W.; Haynes, Delia A.; Woźniak, Krzysztof","Dithiadiazolyl Radicals—Structures and Charge Densities of Their Crystals and Co-Crystal","Crystal Growth & Design","2014","14","9","4834","","10.1021/cg501013x","","x-ray","0.71073","MOKα","","0.0122","0.0122","","","0.0085","0.0085","","","","","","1.611","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511774","11.354","0.004","14.53","0.005","14.976","0.006","90","","90","","90","","2470.6","1.6","98","2","98","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 Cl N Ni P2 -","- C22 H42 Cl N Ni P2 -","- C88 H168 Cl4 N4 Ni4 P8 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0712","0.0578","","","0.1188","0.1314","","","","","","1.035","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511775","18.924","0.003","18.924","0.003","19.322","0.003","90","","90","","90","","6919.6","1.9","98","2","98","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C36 H56 N2 Ni P2 -","- C36 H56 N2 Ni P2 -","- C288 H448 N16 Ni8 P16 -","8","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0342","0.0332","","","0.0819","0.0825","","","","","","1.025","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511776","18.927","0.003","18.927","0.003","19.275","0.003","90","","90","","90","","6904.9","1.9","98","2","98","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C36 H55 N Ni O P2 -","- C36 H55 N Ni O P2 -","- C288 H440 N8 Ni8 O8 P16 -","8","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.042","0.039","","","0.0929","0.0953","","","","","","1.014","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511777","14.1636","0.0008","11.3071","0.0005","18.0536","0.0012","90","","90.216","0.006","90","","2891.2","0.3","98","2","98","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C36 H31 N Ni O P2 -","- C36 H31 N Ni O P2 -","- C144 H124 N4 Ni4 O4 P8 -","4","2","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0397","0.0349","","","0.0857","0.0883","","","","","","1.034","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511778","11.218","0.004","17.049","0.006","20.543","0.008","90","","103.831","0.006","90","","3815","2","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H61 N Ni P2 S -","- C42 H61 N Ni P2 S -","- C168 H244 N4 Ni4 P8 S4 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0738","0.0585","","","0.1295","0.1434","","","","","","1.018","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511779","10.107","0.004","17.521","0.008","17.023","0.007","90","","90","","90","","3015","2","98","2","98","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H31 N Ni P2 S -","- C36 H31 N Ni P2 S -","- C144 H124 N4 Ni4 P8 S4 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0563","0.0473","","","0.0963","0.1045","","","","","","1.028","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511780","10.3866","0.0011","18.0201","0.0018","15.5109","0.0015","90","","92.576","0.007","90","","2900.2","0.5","98","2","98","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46.8 Cl0.2 N Ni O0.8 P2 -","- C30 H46.8 Cl0.2 N Ni O0.8 P2 -","- C120 H187.2 Cl0.8 N4 Ni4 O3.2 P8 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0675","0.0562","","","0.1199","0.126","","","","","","0.994","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511781","10.2239","0.0008","18.5337","0.0015","15.7104","0.0012","90","","91.024","0.001","90","","2976.4","0.4","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H51 N Ni P2 S -","- C30 H51 N Ni P2 S -","- C120 H204 N4 Ni4 P8 S4 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0376","0.0352","","","0.0929","0.095","","","","","","1.004","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511782","12.2559","0.0007","15.9677","0.0009","19.9262","0.001","90","","102.37","0.002","90","","3809","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Ni(dcpe)2CH3CN2","","","- C32 H57 B2 F8 N3 Ni P2 -","- C32 H57 B2 F8 N3 Ni P2 -","- C128 H228 B8 F32 N12 Ni4 P8 -","4","1","","Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M.","Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines","ACS Catalysis","2014","4","9","2951","","10.1021/cs500853f","","","0.71073","MoKα","","0.0484","0.0388","","","0.0973","0.1031","","","","","","1.032","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511783","10.6454","0.0009","10.5867","0.0009","17.3734","0.0015","90","","90.393","0.005","90","","1957.9","0.3","140","","140","","","","","","","","","7","P 1 21 1","P 2yb","4","","[Ni(PtBu2NtBu2)(CH3CN)2](BF4)2","","- C26 H53 B2 F8 N5 Ni P2 -","- C26 H53 B2 F8 N5 Ni P2 -","- C52 H106 B4 F16 N10 Ni2 P4 -","2","1","","Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M.","Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines","ACS Catalysis","2014","4","9","2951","","10.1021/cs500853f","","","0.71073","MoKα","","0.0849","0.0766","","","0.2093","0.2164","","","","","","1.077","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511784","14.8297","0.0008","11.6379","0.0006","43.244","0.002","90","","92.88","0.002","90","","7453.9","0.7","100","","100","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","[HNi(PtBu2NPh2)](BF4)","","- C148 H222 B3 F12 N14 Ni3 P12 -","- C148 H222 B3 F12 N14 Ni3 P12 -","- C296 H444 B6 F24 N28 Ni6 P24 -","2","0.5","","Weiss, Charles J.; Das, Parthapratim; Miller, Deanna L.; Helm, Monte L.; Appel, Aaron M.","Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines","ACS Catalysis","2014","4","9","2951","","10.1021/cs500853f","","","0.71073","MoKα","","0.0691","0.0405","","","0.0805","0.0903","","","","","","1.011","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511785","7.9669","0.0005","9.9375","0.0007","8.7046","0.0005","90","","90.186","0.005","90","","689.15","0.08","130","2","130","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H6 Li N O4 -","- C6 H6 Li N O4 -","- C24 H24 Li4 N4 O16 -","4","1","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0513","0.0475","","","0.1387","0.1412","","","","","","1.205","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511786","13.5472","0.0006","8.7132","0.0005","10.7662","0.0004","90","","99.987","0.004","90","","1251.58","0.1","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Li N O3 -","- C6 H4 Li N O3 -","- C48 H32 Li8 N8 O24 -","8","1","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0429","0.0353","","","0.0919","0.0964","","","","","","1.033","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511787","7.9541","0.0002","9.8412","0.0003","8.8672","0.0003","90","","95.5","0.003","90","","690.91","0.04","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Ca N2 O8 -","- C12 H12 Ca N2 O8 -","- C24 H24 Ca2 N4 O16 -","2","0.5","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0409","0.0389","","","0.0983","0.1015","","","","","","1.122","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511788","7.0489","0.0006","10.8422","0.0007","8.0341","0.0007","90","","107.826","0.009","90","","584.53","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Ca N2 O6 -","- C12 H8 Ca N2 O6 -","- C24 H16 Ca2 N4 O12 -","2","0.5","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0679","0.0581","","","0.1654","0.1752","","","","","","1.151","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511789","7.9338","0.0001","9.8353","0.0001","8.8614","0.0002","90","","95.497","0.002","90","","688.287","0.019","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Ca N2 O8 -","- C12 H12 Ca N2 O8 -","- C24 H24 Ca2 N4 O16 -","2","0.5","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0374","0.0359","","","0.0989","0.1007","","","","","","1.087","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511790","5.8501","0.0005","7.8284","0.0006","13.0761","0.0012","74.624","0.008","83.442","0.007","86.913","0.007","573.46","0.09","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","1","0.5","","Calvo-Castro, Jesus; Warzecha, Monika; Kennedy, Alan R.; McHugh, Callum J.; McLean, Andrew J.","Impact of Systematic Structural Variation on the Energetics of π‒π Stacking Interactions and Associated Computed Charge Transfer Integrals of Crystalline Diketopyrrolopyrroles","Crystal Growth & Design","2014","14","9","4849","","10.1021/cg5010165","","","1.5418","CuKα","","0.0457","0.0404","","","0.1073","0.1113","","","","","","1.074","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511791","7.9661","0.0003","8.3365","0.0001","14.932","0.001","76.996","0.012","89.811","0.014","63.693","0.009","860.83","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H6 Cl2 Cu N5 O2 S -","- C14 H6 Cl2 Cu N5 O2 S -","- C28 H12 Cl4 Cu2 N10 O4 S2 -","2","1","","Pinkowicz, Dawid; Li, Zhanyong; Pietrzyk, Piotr; Rams, Michał","New Thiadiazole Dioxide Bridging Ligand with a Stable Radical Form for the Construction of Magnetic Coordination Chains","Crystal Growth & Design","2014","14","10","4878","","10.1021/cg500906w","","","0.71073","MoKα","","0.1141","0.0688","","","0.1784","0.2061","","","","","","0.899","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511792","6.568","0.005","10.251","0.005","16.7","0.005","90","","90.825","0.005","90","","1124.3","1.1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 K N4 O2 S -","- C12 H6 K N4 O2 S -","- C48 H24 K4 N16 O8 S4 -","4","1","","Pinkowicz, Dawid; Li, Zhanyong; Pietrzyk, Piotr; Rams, Michał","New Thiadiazole Dioxide Bridging Ligand with a Stable Radical Form for the Construction of Magnetic Coordination Chains","Crystal Growth & Design","2014","14","10","4878","","10.1021/cg500906w","","","0.71073","MoKα","","0.0591","0.0397","","","0.0798","0.0877","","","","","","1.033","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511793","4.5099","0.0007","14.472","0.002","16.237","0.003","90","","92.832","0.002","90","","1058.5","0.3","100","1","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N4 O2 S -","- C12 H6 N4 O2 S -","- C48 H24 N16 O8 S4 -","4","1","","Pinkowicz, Dawid; Li, Zhanyong; Pietrzyk, Piotr; Rams, Michał","New Thiadiazole Dioxide Bridging Ligand with a Stable Radical Form for the Construction of Magnetic Coordination Chains","Crystal Growth & Design","2014","14","10","4878","","10.1021/cg500906w","","","0.71073","MoKα","","0.0571","0.0375","","","0.09","0.0983","","","","","","1.027","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511794","3.8047","0.0008","14.994","0.002","17.142","0.002","90","","89.883","0.009","90","","977.9","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N4 S -","- C12 H6 N4 S -","- C48 H24 N16 S4 -","4","1","","Pinkowicz, Dawid; Li, Zhanyong; Pietrzyk, Piotr; Rams, Michał","New Thiadiazole Dioxide Bridging Ligand with a Stable Radical Form for the Construction of Magnetic Coordination Chains","Crystal Growth & Design","2014","14","10","4878","","10.1021/cg500906w","","","0.71073","MoKα","","0.2141","0.1915","","","0.4376","0.4495","","","","","","1.087","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511795","15.761","0.003","29.264","0.006","16.66","0.003","90","","108.583","0.003","90","","7283","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H176 Dy4 K4 N18 O52 -","- C126 H176 Dy4 K4 N18 O52 -","- C252 H352 Dy8 K8 N36 O104 -","2","0.5","","Bag, Prasenjit; Chakraborty, Amit; Rouzières, Mathieu; Clérac, Rodolphe; Butcher, Raymond J.; Chandrasekhar, Vadapalli","Oxalato-Bridged Neutral Octanuclear Heterometallic Complexes [Ln4K4(L)4(μ-H2O)4(NO3)2(μ-Ox)] (Ln = Dy(III), Gd(III), Tb(III), Ho(III); LH3= N[CH2CH2N═CH-C6H3-2-OH-3-OMe]3; Ox = (C2O4)2‒): Synthesis, Structure, Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","9","4583","","10.1021/cg500677t","","","0.71073","MoKα","","0.0726","0.0558","","","0.1576","0.1875","","","","","","1.08","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511796","15.866","0.003","29.287","0.006","16.679","0.003","90","","108.797","0.003","90","","7337","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H180 Gd4 K4 N18 O50 -","- C130 H180 Gd4 K4 N18 O50 -","- C260 H360 Gd8 K8 N36 O100 -","2","0.5","","Bag, Prasenjit; Chakraborty, Amit; Rouzières, Mathieu; Clérac, Rodolphe; Butcher, Raymond J.; Chandrasekhar, Vadapalli","Oxalato-Bridged Neutral Octanuclear Heterometallic Complexes [Ln4K4(L)4(μ-H2O)4(NO3)2(μ-Ox)] (Ln = Dy(III), Gd(III), Tb(III), Ho(III); LH3= N[CH2CH2N═CH-C6H3-2-OH-3-OMe]3; Ox = (C2O4)2‒): Synthesis, Structure, Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","9","4583","","10.1021/cg500677t","","","0.71073","MoKα","","0.0811","0.0574","","","0.1545","0.1865","","","","","","1.067","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511797","15.797","0.003","29.291","0.006","16.648","0.004","90","","108.484","0.004","90","","7306","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H176 K4 N18 O52 Tb4 -","- C126 H176 K4 N18 O52 Tb4 -","- C252 H352 K8 N36 O104 Tb8 -","2","0.5","","Bag, Prasenjit; Chakraborty, Amit; Rouzières, Mathieu; Clérac, Rodolphe; Butcher, Raymond J.; Chandrasekhar, Vadapalli","Oxalato-Bridged Neutral Octanuclear Heterometallic Complexes [Ln4K4(L)4(μ-H2O)4(NO3)2(μ-Ox)] (Ln = Dy(III), Gd(III), Tb(III), Ho(III); LH3= N[CH2CH2N═CH-C6H3-2-OH-3-OMe]3; Ox = (C2O4)2‒): Synthesis, Structure, Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","9","4583","","10.1021/cg500677t","","","0.71073","MoKα","","0.0839","0.0601","","","0.1569","0.176","","","","","","1.039","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511798","15.874","0.005","29.111","0.005","16.677","0.005","90","0.005","107.326","0.005","90","0.005","7357","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H172 Ho4 K4 N18 O50 -","- C126 H172 Ho4 K4 N18 O50 -","- C252 H344 Ho8 K8 N36 O100 -","2","0.5","","Bag, Prasenjit; Chakraborty, Amit; Rouzières, Mathieu; Clérac, Rodolphe; Butcher, Raymond J.; Chandrasekhar, Vadapalli","Oxalato-Bridged Neutral Octanuclear Heterometallic Complexes [Ln4K4(L)4(μ-H2O)4(NO3)2(μ-Ox)] (Ln = Dy(III), Gd(III), Tb(III), Ho(III); LH3= N[CH2CH2N═CH-C6H3-2-OH-3-OMe]3; Ox = (C2O4)2‒): Synthesis, Structure, Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","9","4583","","10.1021/cg500677t","","","0.71069","MoKα","","0.1027","0.0857","","","0.2238","0.2376","","","","","","1.158","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511799","7.6168","0.0016","9.243","0.002","19.802","0.005","101.716","0.016","98.529","0.016","94.415","0.016","1341.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H36 Cl6 N6 O8 Zn2 -","- C49 H36 Cl6 N6 O8 Zn2 -","- C49 H36 Cl6 N6 O8 Zn2 -","1","0.5","","Park, Minwoo; Kim, Hyeun; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Host‒Guest Chemistry of 1D Suprachannels and Dihalomethane Molecules: Metallacyclodimeric Ensembles Consisting of Zinc(II)-2,7-bis(nicotinoyloxy)naphthalene Complexes","Crystal Growth & Design","2014","14","9","4461","","10.1021/cg5009889","","","0.71073","MoKα","","0.2499","0.1227","","","0.2916","0.367","","","","","","1.065","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511800","8.3082","0.0002","9.5031","0.0002","15.9217","0.0003","84.604","0.001","89.685","0.001","84.055","0.001","1244.76","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H29 Br4 Cl3 N4 O8 Zn2 -","- C45 H29 Br4 Cl3 N4 O8 Zn2 -","- C45 H29 Br4 Cl3 N4 O8 Zn2 -","1","0.5","","Park, Minwoo; Kim, Hyeun; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Host‒Guest Chemistry of 1D Suprachannels and Dihalomethane Molecules: Metallacyclodimeric Ensembles Consisting of Zinc(II)-2,7-bis(nicotinoyloxy)naphthalene Complexes","Crystal Growth & Design","2014","14","9","4461","","10.1021/cg5009889","","","0.71073","MoKα","","0.0658","0.0539","","","0.168","0.1796","","","","","","1.066","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511801","7.7533","0.0004","38.95","0.002","9.3528","0.0005","90","","95.634","0.004","90","","2810.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H66 Br18 N8 O16 Zn4 -","- C93 H66 Br18 N8 O16 Zn4 -","- C93 H66 Br18 N8 O16 Zn4 -","1","0.5","","Park, Minwoo; Kim, Hyeun; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Host‒Guest Chemistry of 1D Suprachannels and Dihalomethane Molecules: Metallacyclodimeric Ensembles Consisting of Zinc(II)-2,7-bis(nicotinoyloxy)naphthalene Complexes","Crystal Growth & Design","2014","14","9","4461","","10.1021/cg5009889","","","0.71073","MoKα","","0.1782","0.1101","","","0.3195","0.3677","","","","","","1.058","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511802","9.7602","0.0001","17.0271","0.0002","17.4437","0.0002","115.223","0.001","96.034","0.001","94.901","0.001","2580.54","0.06","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H30 Cl2 I4 N4 O8 Zn2 -","- C45 H30 Cl2 I4 N4 O8 Zn2 -","- C90 H60 Cl4 I8 N8 O16 Zn4 -","2","1","","Park, Minwoo; Kim, Hyeun; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Host‒Guest Chemistry of 1D Suprachannels and Dihalomethane Molecules: Metallacyclodimeric Ensembles Consisting of Zinc(II)-2,7-bis(nicotinoyloxy)naphthalene Complexes","Crystal Growth & Design","2014","14","9","4461","","10.1021/cg5009889","","","0.71073","MoKα","","0.0558","0.0453","","","0.1265","0.1371","","","","","","1.056","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511803","10.725","0.0011","15.204","0.0016","17.3541","0.0018","90","","99.413","0.002","90","","2791.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Ba3 O31 V2 -","- C10 H4 Ba3 O31 V2 -","- C40 H16 Ba12 O124 V8 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","Observation of Multiple Crystal-to-Crystal Transitions in a New Reduced Vanadium Oxalate Hybrid Material, Ba3[(VO)2(C2O4)5(H2O)6]·(H2O)3, Prepared via a Mild, Two-Step Hydrothermal Method","Crystal Growth & Design","2014","14","9","4749","","10.1021/cg500888u","","","0.71073","MoKα","","0.0484","0.0456","","","0.0945","0.0955","","","","","","1.36","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511804","10.2354","0.0019","15.455","0.003","17.536","0.003","90","","98.718","0.003","90","","2741.9","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Ba3 O28 V2 -","- C10 H12 Ba3 O28 V2 -","- C40 H48 Ba12 O112 V8 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","Observation of Multiple Crystal-to-Crystal Transitions in a New Reduced Vanadium Oxalate Hybrid Material, Ba3[(VO)2(C2O4)5(H2O)6]·(H2O)3, Prepared via a Mild, Two-Step Hydrothermal Method","Crystal Growth & Design","2014","14","9","4749","","10.1021/cg500888u","","","0.71073","MoKα","","0.0187","0.0185","","","0.0429","0.0429","","","","","","1.272","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511805","10.2382","0.001","14.5463","0.0014","15.2328","0.0014","90","","90.807","0.002","90","","2268.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Ba3 O24.13 V2 -","- C10 H4 Ba3 O24.135 V2 -","- C40 H16 Ba12 O96.54 V8 -","4","1","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","Observation of Multiple Crystal-to-Crystal Transitions in a New Reduced Vanadium Oxalate Hybrid Material, Ba3[(VO)2(C2O4)5(H2O)6]·(H2O)3, Prepared via a Mild, Two-Step Hydrothermal Method","Crystal Growth & Design","2014","14","9","4749","","10.1021/cg500888u","","","0.71073","MoKα","","0.0415","0.0331","","","0.069","0.0717","","","","","","1.143","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511806","14.8814","0.0015","25.3457","0.0024","33.962","0.0028","90","","90","","90","","12810","2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Lamivudine Duplex III","","","- C96 H137.3 N30 O51.66 S10 -","- C96 H137.3 N30 O51.65 S10 -","- C384 H549.2 N120 O206.6 S40 -","4","1","","Vasconcelos, Alline Torquato; da Silva, Cameron Capeletti; Queiroz Júnior, Luiz Henrique Keng; Santana, Mábio João; Ferreira, Vinicius Sousa; Martins, Felipe Terra","Lamivudine as a Nucleoside Template To Engineer DNA-Like Double-Stranded Helices in Crystals","Crystal Growth & Design","2014","14","9","4691","","10.1021/cg500786m","","","0.71073","MoKα","","0.2233","0.0941","","","0.2306","0.3029","","","","","","0.986","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511807","12.18","0.017","12.254","0.017","12.875","0.018","90","","99.925","0.019","90","","1893","5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cl F6 Fe O2 -","- C20 H13 Cl F6 Fe O2 -","- C80 H52 Cl4 F24 Fe4 O8 -","4","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.71073","MoKα","","0.0674","0.0535","","","0.1431","0.1586","","","","","","1.075","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511808","12.365","0.013","12.487","0.013","13.01","0.014","90","","90","","90","","2009","4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Cl2 F6 Fe O2 -","- C20 H12 Cl2 F6 Fe O2 -","- C80 H48 Cl8 F24 Fe4 O8 -","4","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.71073","MoKα","","0.0899","0.0607","","","0.1322","0.1473","","","","","","1.05","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511809","6.0873","0.0004","8.9751","0.0009","16.8198","0.0015","90","","90","","90","","918.94","0.14","120","1","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 Co N2 O6 -","- C6 H10 Co N2 O6 -","- C24 H40 Co4 N8 O24 -","4","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","1.54184","CuKα","","0.0529","0.0474","","","0.1265","0.134","","","","","","0.826","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511810","7.806","0.005","20.715","0.012","12.467","0.007","90","","94.56","0.008","90","","2010","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Cl2 F6 Fe O2 -","- C20 H12 Cl2 F6 Fe O2 -","- C80 H48 Cl8 F24 Fe4 O8 -","4","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.71073","MoKα","","0.0595","0.0465","","","0.1132","0.1224","","","","","","1.05","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511811","7.35","0.004","8.248","0.005","17.977","0.01","87.036","0.016","89.136","0.016","71.771","0.01","1033.7","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H11 Cl3 F6 Fe O2 -","- C20 H11 Cl3 F6 Fe O2 -","- C40 H22 Cl6 F12 Fe2 O4 -","2","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.71073","MoKα","","0.0727","0.0521","","","0.1137","0.1285","","","","","","1.086","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511812","4.8075","0.0002","9.4727","0.0005","9.7014","0.0004","90","","95.763","0.004","90","","439.57","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H10 N2 O6 Zn -","- C6 H10 N2 O6 Zn -","- C12 H20 N4 O12 Zn2 -","2","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.68239","synchrotron","","0.0676","0.0668","","","0.1682","0.1694","","","","","","1.071","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511813","3.9187","0.0003","11.9054","0.001","16.2554","0.0014","100.98","0.001","91.214","0.001","94.833","0.001","741.31","0.11","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Sonoda, Yoriko; Goto, Midori; Norikane, Yasuo; Azumi, Reiko","Crystal Structures and Fluorescence Spectroscopic Properties of Cyano-Substituted Diphenylhexatrienes","Crystal Growth & Design","2014","14","9","4781","","10.1021/cg5009363","","","0.71073","MoKα","","0.0457","0.0366","","","0.0999","0.1056","","","","","","0.962","","","","has coordinates","288466","2023-12-21","08:55:29",""
"4511814","18.46","0.007","4.0402","0.0015","19.941","0.007","90","","91.544","0.004","90","","1486.7","0.9","183","2","183","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Sonoda, Yoriko; Goto, Midori; Norikane, Yasuo; Azumi, Reiko","Crystal Structures and Fluorescence Spectroscopic Properties of Cyano-Substituted Diphenylhexatrienes","Crystal Growth & Design","2014","14","9","4781","","10.1021/cg5009363","","","0.71073","MoKα","","0.0801","0.0506","","","0.1153","0.1282","","","","","","1.04","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511815","5.4806","0.0016","12.043","0.003","12.301","0.004","71.769","0.003","79.633","0.003","78.979","0.003","750.6","0.4","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Sonoda, Yoriko; Goto, Midori; Norikane, Yasuo; Azumi, Reiko","Crystal Structures and Fluorescence Spectroscopic Properties of Cyano-Substituted Diphenylhexatrienes","Crystal Growth & Design","2014","14","9","4781","","10.1021/cg5009363","","","0.71073","MoKα","","0.0362","0.0331","","","0.0935","0.0965","","","","","","0.95","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511816","6.6287","0.0003","24.2017","0.0012","8.4264","0.0005","90","","92.11","0.002","90","","1350.9","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Co N4 O10 -","- C30 H22 Co N4 O10 -","- C60 H44 Co2 N8 O20 -","2","0.5","","Wu, Jing-Yun; Hsiao, Cheng-Chu; Chiang, Ming-Hsi","Concomitant Crystallization of Genuine Supramolecular Isomeric Rhombus Grid and Ribbon","Crystal Growth & Design","2014","14","9","4321","","10.1021/cg500380v","","","0.71073","MoKα","","0.064","0.0491","","","0.0907","0.0948","","","","","","1.171","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511817","10.519","0.003","12.038","0.003","13.1","0.003","95.687","0.005","111.148","0.005","112.522","0.006","1373.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Co N4 O10 -","- C30 H22 Co N4 O10 -","- C60 H44 Co2 N8 O20 -","2","1","","Wu, Jing-Yun; Hsiao, Cheng-Chu; Chiang, Ming-Hsi","Concomitant Crystallization of Genuine Supramolecular Isomeric Rhombus Grid and Ribbon","Crystal Growth & Design","2014","14","9","4321","","10.1021/cg500380v","","","0.71073","MoKα","","0.0618","0.0488","","","0.1253","0.1314","","","","","","1.082","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511818","3.8644","0.0001","3.8644","0.0001","13.1678","0.0007","90","","90","","90","","196.642","0.013","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- F Fe O3 Sr2 -","- F Fe O3 Sr2 -","- F2 Fe2 O6 Sr4 -","2","0.125","","Tsujimoto, Yoshihiro; Matsushita, Yoshitaka; Hayashi, Naoaki; Yamaura, Kazunari; Uchikoshi, Tetsuo","Anion Order-to-Disorder Transition in Layered Iron Oxyfluoride Sr2FeO3F Single Crystals","Crystal Growth & Design","2014","14","9","4278","","10.1021/cg500484e","","","0.71073","MoKα","","0.0348","0.0324","","","0.0829","0.0845","","","","","","1.269","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511819","47.0072","0.0017","5.4802","0.0002","9.5037","0.0004","90","","101.488","0.002","90","","2399.19","0.16","198","2","198","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C96 H136 N8 O24 -","8","1","","Nauha, Elisa; Bernstein, Joel","“Predicting” Crystal Forms of Pharmaceuticals Using Hydrogen Bond Propensities: Two Test Cases","Crystal Growth & Design","2014","14","9","4364","","10.1021/cg500478p","","","1.54178","CuKα","","0.0369","0.0329","","","0.0772","0.0793","","","","","","1.06","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511820","47.646","0.005","5.5179","0.0005","9.5052","0.0009","90","","98.313","0.006","90","","2472.7","0.4","250","2","250","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C96 H136 N8 O24 -","8","1","","Nauha, Elisa; Bernstein, Joel","“Predicting” Crystal Forms of Pharmaceuticals Using Hydrogen Bond Propensities: Two Test Cases","Crystal Growth & Design","2014","14","9","4364","","10.1021/cg500478p","","","1.54178","CuKα","","0.0487","0.042","","","0.1121","0.1177","","","","","","1.072","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511821","4.571","0.004","10.174","0.008","19.653","0.016","90","","90","","90","","914","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H17 N O5 -","- C7 H17 N O5 -","- C28 H68 N4 O20 -","4","1","","Nauha, Elisa; Bernstein, Joel","“Predicting” Crystal Forms of Pharmaceuticals Using Hydrogen Bond Propensities: Two Test Cases","Crystal Growth & Design","2014","14","9","4364","","10.1021/cg500478p","","","0.71073","MoKα","","0.0815","0.0549","","","0.1176","0.1261","","","","","","1.096","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511822","4.819","0.006","5.131","0.006","9.627","0.011","104.662","0.013","93.985","0.014","92.586","0.014","229.2","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C7 H17 N O5 -","- C7 H17 N O5 -","- C7 H17 N O5 -","1","1","","Nauha, Elisa; Bernstein, Joel","“Predicting” Crystal Forms of Pharmaceuticals Using Hydrogen Bond Propensities: Two Test Cases","Crystal Growth & Design","2014","14","9","4364","","10.1021/cg500478p","","","0.71073","MoKα","","0.0365","0.0345","","","0.0922","0.0984","","","","","","1.108","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511823","10.6915","0.0006","10.5459","0.0005","13.2126","0.0006","90","","112.41","0.008","90","","1377.23","0.14","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O6 S2 -","- C11 H11 N3 O6 S2 -","- C44 H44 N12 O24 S8 -","4","1","","Koike, Ryuta; Higashi, Kenjirou; Liu, Nan; Limwikrant, Waree; Yamamoto, Keiji; Moribe, Kunikazu","Structural Determination of a Novel Polymorph of Sulfathiazole‒Oxalic Acid Complex in Powder Form by Solid-State NMR Spectroscopy on the Basis of Crystallographic Structure of Another Polymorph","Crystal Growth & Design","2014","14","9","4510","","10.1021/cg5005903","","","0.71075","MoKα","","","0.0333","","","","0.0901","","","","","","1.255","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511824","4.9209","0.0003","8.6115","0.0005","9.4689","0.0006","72.466","0.003","75.129","0.003","89.747","0.003","368.64","0.04","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","Cocrystal 5FC succinic acid","","","- C6 H7 F N3 O3 -","- C6 H7 F N3 O3 -","- C12 H14 F2 N6 O6 -","2","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","0.71073","MoKα","","0.0436","0.0381","","","","0.1273","","","","","","1.103","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511825","5.2742","0.0005","6.665","0.0007","12.8441","0.0013","86.411","0.006","80.757","0.006","71.97","0.006","423.72","0.08","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","Cocrystal 5FC adipic acid","","","- C7 H9 F N3 O3 -","- C7 H9 F N3 O3 -","- C14 H18 F2 N6 O6 -","2","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","0.71073","MoKα","","0.059","0.0506","","","","0.1436","","","","","","1.112","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511826","3.6265","0.0003","9.5274","0.0008","13.7902","0.0012","107.812","0.005","92.036","0.004","96.844","0.004","449.09","0.07","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","Cocrystal 5FC tereftalic acid","","","- C8 H7 F N3 O3 -","- C8 H7 F N3 O3 -","- C16 H14 F2 N6 O6 -","2","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","0.71073","MoKα","","0.0607","0.0449","","","","0.1217","","","","","","1.074","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511827","20.898","0.0004","14.859","0.0009","7.244","0.0011","90","","107.178","0.003","90","","2149.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 F N3 O6 -","- C8 H10 F N3 O6 -","- C64 H80 F8 N24 O48 -","8","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","0.71073","MoKα","","0.162","0.0719","","","","0.2266","","","","","","1.012","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511828","9.0565","0.0002","5.4318","0.0002","22.8887","0.0008","90","","92.87","0.001","90","","1124.55","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Co-crystal of 5FC with benzoic acid","","","- C11 H10 F N3 O3 -","- C11 H10 F N3 O3 -","- C44 H40 F4 N12 O12 -","4","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","0.71073","MoKα","","0.081","0.0481","","","","0.1418","","","","","","1.033","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511829","15.0176","0.0003","3.5604","0.0001","27.3113","0.0004","90","","138.282","0.001","90","","971.78","0.04","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F2 N5 O3 -","- C8 H7 F2 N5 O3 -","- C32 H28 F8 N20 O12 -","4","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","1.54178","CuKα","","0.0359","0.0312","","","","0.0879","","","","","","1.069","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511830","10.6569","0.0002","11.2177","0.0003","23.0926","0.0005","79.945","0.001","80.684","0.001","87.827","0.001","2682.24","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C68 H78 O4 -","- C68 H78 O4 -","- C136 H156 O8 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.1073","0.0551","","","0.1127","0.1354","","","","","","1.003","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511831","26.9959","0.0012","24.2344","0.0011","18.7233","0.0008","90","","120.515","0.001","90","","10552.8","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H69 N O3 -","- C63 H69 N O3 -","- C504 H552 N8 O24 -","8","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.078","0.0487","","","0.1288","0.16","","","","","","1.059","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511832","10.2087","0.0002","11.864","0.0002","22.639","0.0004","90","","98.31","0.001","90","","2713.16","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64 Cl6 O2 -","- C62 H64 Cl6 O2 -","- C124 H128 Cl12 O4 -","2","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0497","0.0361","","","0.0862","0.0939","","","","","","1.03","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511833","10.8003","0.0006","11.0836","0.0006","24.7588","0.0013","77.994","0.003","89.734","0.003","63.611","0.002","2583.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H70 O4 -","- C64 H70 O4 -","- C128 H140 O8 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0931","0.0546","","","0.1521","0.1726","","","","","","1","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511834","9.9877","0.0002","15.4374","0.0004","12.8383","0.0003","90","","96.61","0.001","90","","1966.3","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 O6 -","- C52 H46 O6 -","- C104 H92 O12 -","2","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0577","0.0389","","","0.0893","0.0992","","","","","","1.013","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511835","11.6011","0.0004","13.1091","0.0005","15.2093","0.0005","88.122","0.002","87.395","0.002","84.615","0.002","2299.5","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H62 O2 -","- C60 H62 O2 -","- C120 H124 O4 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0862","0.0497","","","0.1294","0.1653","","","","","","1.024","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511836","13.9048","0.0003","13.6994","0.0003","10.1484","0.0002","90","","93.781","0.001","90","","1928.93","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 N2 O4 -","- C50 H44 N2 O4 -","- C100 H88 N4 O8 -","2","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0491","0.0383","","","0.0982","0.106","","","","","","0.997","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511837","11.3706","0.0002","13.0603","0.0003","13.1504","0.0003","97.421","0.001","107.212","0.001","109.961","0.001","1694.76","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C47 H36 O3 -","- C47 H36 O3 -","- C94 H72 O6 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0694","0.05","","","0.1232","0.1361","","","","","","1.024","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511838","10.6432","0.0003","11.3772","0.0003","22.7292","0.0007","80.527","0.001","80.408","0.001","87.917","0.002","2676.68","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H74 O4 -","- C66 H74 O4 -","- C132 H148 O8 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0708","0.0588","","","0.152","0.163","","","","","","1.015","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511839","10.9784","0.0005","14.2909","0.0006","19.6702","0.0009","98.144","0.002","95.506","0.002","107.769","0.002","2877.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H82 O7 -","- C69.468 H80.936 O6.734 -","- C138.936 H161.872 O13.468 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.1147","0.0544","","","0.1273","0.1681","","","","","","0.993","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511840","28.707","0.007","28.707","0.007","24.682","0.011","90","","90","","120","","17615","10","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H10 O9 Zn -","- C24 H10 O9 Zn -","- C432 H180 O162 Zn18 -","18","1","","He, Hongming; Sun, Fuxing; Jia, Jiangtao; Bian, Zheng; Zhao, Nian; Qiu, Xuepeng; Gao, Lianxun; Zhu, Guangshan","Fluorescent Dodecapus in 3D Framework","Crystal Growth & Design","2014","14","9","4258","","10.1021/cg501012e","","","0.71073","MoKα","","0.112","0.0555","","","0.1313","0.1482","","","","","","0.875","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511841","8.5236","0.0014","10.0435","0.0017","13.64","0.003","90","","106.075","0.005","90","","1122","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 F6 N2 P -","- C7 H13 F6 N2 P -","- C28 H52 F24 N8 P4 -","4","1","","Maximo, Guilherme J.; Santos, Ricardo J. B. N.; Brandão, Paula; Esperança, José M. S. S.; Costa, Mariana C.; Meirelles, Antonio J. A.; Freire, Mara G.; Coutinho, João A. P.","Generating Ionic Liquids from Ionic Solids: An Investigation of the Melting Behavior of Binary Mixtures of Ionic Liquids","Crystal Growth & Design","2014","14","9","4270","","10.1021/cg500655s","","","0.71073","MoKα","","0.0564","0.0467","","","0.1265","0.1352","","","","","","1.029","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511842","14.4143","0.0007","14.2106","0.0008","13.4918","0.0006","90","","109.466","0.002","90","","2605.6","0.2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H20 F6 N P -","- C9 H20 F6 N P -","- C72 H160 F48 N8 P8 -","8","2","","Maximo, Guilherme J.; Santos, Ricardo J. B. N.; Brandão, Paula; Esperança, José M. S. S.; Costa, Mariana C.; Meirelles, Antonio J. A.; Freire, Mara G.; Coutinho, João A. P.","Generating Ionic Liquids from Ionic Solids: An Investigation of the Melting Behavior of Binary Mixtures of Ionic Liquids","Crystal Growth & Design","2014","14","9","4270","","10.1021/cg500655s","","","0.71073","MoKα","","0.1133","0.057","","","0.138","0.1755","","","","","","0.983","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511843","8.8517","0.0005","9.1524","0.0005","9.2668","0.0005","63.953","0.002","64.555","0.002","85.076","0.002","604.15","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 F6 N P -","- C9 H14 F6 N P -","- C18 H28 F12 N2 P2 -","2","1","","Maximo, Guilherme J.; Santos, Ricardo J. B. N.; Brandão, Paula; Esperança, José M. S. S.; Costa, Mariana C.; Meirelles, Antonio J. A.; Freire, Mara G.; Coutinho, João A. P.","Generating Ionic Liquids from Ionic Solids: An Investigation of the Melting Behavior of Binary Mixtures of Ionic Liquids","Crystal Growth & Design","2014","14","9","4270","","10.1021/cg500655s","","","0.71073","MoKα","","0.0522","0.0443","","","0.1226","0.1312","","","","","","1.027","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511844","7.311","0.001","12.674","0.001","13.968","0.0001","92.78","0.01","91.73","0.01","91.83","0.01","1291.4","0.2","298","2","296","2","","","","","","","","5","P -1","-P 1","2","","Trithiocyanuric acid+4,4'-bipyridine+DMSO","","- C18 H20 N8 O S7 -","- C18 H20 N8 O S7 -","- C36 H40 N16 O2 S14 -","2","1","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.71073","MoKα","","0.0536","0.038","","","0.1236","0.1422","","","","","","0.991","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511845","8.879","0.001","8.407","0.001","20.279","0.001","90","","91.51","0","90","","1513.2","0.3","298","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trithiocyanuric acid+ 4,4'-bipyridine","","- C13 H11 N5 S3 -","- C13 H11 N5 S3 -","- C52 H44 N20 S12 -","4","1","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.71073","MoKα","","0.0666","0.0421","","","0.1059","0.1193","","","","","","1.031","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511846","4.369","0.001","29.078","0.006","9.186","0.002","90","","102.27","0.01","90","","1140.3","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Trithiocyanuric acid+1,7-phenonthroline","","- C18 H14 N8 S6 -","- C18 H14 N8 S6 -","- C36 H28 N16 S12 -","2","1","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.7107","MoKα","","0.0406","0.0395","","","0.0988","0.0997","","","","","","1.162","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511847","15.61","0.001","13.199","0.001","7.945","0.001","90","","102.78","0.01","90","","1596.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trithiocyanuric acid+1,7-phenanthroline","","- C15 H11 N5 S3 -","- C15 H11 N5 S3 -","- C60 H44 N20 S12 -","4","1","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.71073","MoKα","","0.0481","0.0354","","","0.0858","0.0939","","","","","","1.018","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511848","7.084","0.001","10.356","0.001","11.362","0.001","66.83","0.01","85.04","0.01","78.22","0.01","750.15","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Trithiocyanuric acid+1,2-bis(4-pyridyl)ethane","","- C18 H18 N8 S6 -","- C18 H18 N8 S6 -","- C18 H18 N8 S6 -","1","0.5","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.71073","MoKα","","0.0925","0.0812","","","0.2781","0.2919","","","","","","2.208","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511849","17.584","0.003","6.682","0.001","14.452","0.002","90","","99.18","0.01","90","","1676.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trithiocyanuric acid+4,4'-bpyea","","- C15 H15 N5 S3 -","- C15 H15 N5 S3 -","- C60 H60 N20 S12 -","4","1","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.71073","MoKα","","0.0906","0.0716","","","0.1298","0.1361","","","","","","1.264","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511850","9.1127","0.0003","13.0832","0.0005","18.4154","0.0007","90","","97.724","0.003","90","","2175.62","0.14","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 N2 Ni O10 -","- C22 H22 N2 Ni O10 -","- C88 H88 N8 Ni4 O40 -","4","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.0618","0.0514","","","0.1572","0.1688","","","","","","1.032","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511851","9.0212","0.0005","13.2138","0.0009","30.273","0.002","90","","91.213","0.006","90","","3607.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H34 Co N4 O12 -","- C40 H30 Co N4 O12 -","- C160 H120 Co4 N16 O48 -","4","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.1105","0.0936","","","0.1905","0.1993","","","","","","1.087","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511852","8.8003","0.0005","14.7244","0.001","16.5169","0.0014","98.647","0.006","93.17","0.006","98.561","0.005","2085.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 Cu N4 O9 -","- C40 H26 Cu N4 O9 -","- C80 H52 Cu2 N8 O18 -","2","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.1458","0.0877","","","0.2156","0.2399","","","","","","1.168","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511853","5.5869","0.0004","12.0319","0.0013","14.528","0.0015","107.552","0.009","100.654","0.007","97.99","0.007","895.09","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Co N4 O12 -","- C42 H36 Co N4 O12 -","- C42 H36 Co N4 O12 -","1","0.5","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.067","0.0561","","","0.1147","0.1209","","","","","","1.068","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511854","15.1823","0.0011","7.801","0.0006","31.418","0.002","90","","90","","90","","3721.1","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Cu N2 O7 -","- C21 H16 Cu N2 O7 -","- C168 H128 Cu8 N16 O56 -","8","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.089","0.0406","","","0.0946","0.1389","","","","","","1.001","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511855","17.018","0.0005","17.8705","0.0007","20.812","0.0007","65.116","0.003","83.339","0.003","69.993","0.003","5392.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H101 Cu3 N12 O27 -","- C126 H95 Cu3 N12 O27 -","- C252 H190 Cu6 N24 O54 -","2","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.1032","0.064","","","0.1565","0.1847","","","","","","1.072","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511856","5.5839","0.0012","12.097","0.003","14.595","0.003","107.883","0.011","100.455","0.011","97.851","0.012","903","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Mn N4 O12 -","- C42 H36 Mn N4 O12 -","- C42 H36 Mn N4 O12 -","1","0.5","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.1531","0.0778","","","0.1299","0.1535","","","","","","0.987","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511857","6.955","0.004","9.014","0.005","11.195","0.006","90","","106.423","0.009","90","","673.2","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-fluoro benzoyl chloride","4-Fluoro benzoyl chloride","","- C7 H4 Cl F O -","- C7 H4 Cl F O -","- C28 H16 Cl4 F4 O4 -","4","1","","Dikundwar, Amol G.; Guru Row, Tayur N.","Tracing a Crystallization Pathway of an RT Liquid, 4-Fluorobenzoyl Chloride: Metastable Polytypic Form as an Intermediate Phase","Crystal Growth & Design","2014","14","9","4230","","10.1021/cg500460n","","","0.71073","MoKα","","0.1026","0.0883","","","0.2694","0.2854","","","","","","1.168","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511858","20.3663","0.0009","6.5008","0.0003","18.3376","0.0008","90","","104.897","0.002","90","","2346.25","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cl N O5 -","- C30 H22 Cl N O5 -","- C120 H88 Cl4 N4 O20 -","4","1","","Li, Bingbing X.; Xie, Fuchun; Fan, Qiuhua; Barnhart, Kerry M.; Moore, Curtis E.; Rheingold, Arnold L.; Xiao, Xiangshu","Novel Type of Prodrug Activation through a Long-Range O,N-Acyl Transfer: A Case of Water-Soluble CREB Inhibitor.","ACS medicinal chemistry letters","2014","5","10","1104","1109","10.1021/ml500330n","","x-ray","1.54178","CuKα","","0.0354","0.0303","","","0.0754","0.0787","","","","","","1.036","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511859","4.8111","0.0006","19.933","0.003","5.483","0.0007","90","","103.41","0.002","90","","511.48","0.12","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0274","0.0257","","","0.0567","0.0572","","","","","","1.048","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511860","4.8207","0.0007","19.966","0.003","5.5008","0.0007","90","","103.363","0.002","90","","515.12","0.13","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0259","0.0239","","","0.054","0.0548","","","","","","1.057","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511861","4.814","0.0012","19.924","0.005","5.5056","0.0014","90","","103.356","0.004","90","","513.8","0.2","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.039","0.0362","","","0.09","0.0916","","","","","","1.063","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511862","4.8259","0.0007","19.954","0.003","5.5272","0.0008","90","","103.186","0.002","90","","518.21","0.13","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0327","0.0286","","","0.0608","0.0623","","","","","","1.05","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511863","4.8387","0.0009","19.991","0.004","5.5464","0.001","90","","103.104","0.003","90","","522.54","0.17","273","","273","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0374","0.0315","","","0.0666","0.069","","","","","","1.054","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511864","4.833","0.0016","19.978","0.007","5.5547","0.0019","90","","103.038","0.005","90","","522.5","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.037","0.0317","","","0.0703","0.0727","","","","","","1.067","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511865","4.8367","0.0009","19.97","0.004","5.5587","0.001","90","","102.953","0.003","90","","523.25","0.17","323","","323","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0446","0.0374","","","0.0805","0.084","","","","","","1.064","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511866","4.8314","0.0008","19.955","0.003","5.547","0.001","90","","103.005","0.003","90","","521.07","0.15","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0394","0.0333","","","0.0703","0.0728","","","","","","1.046","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511867","4.8298","0.0007","19.955","0.003","5.5441","0.0008","90","","103.05","0.002","90","","520.53","0.13","273","","273","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0368","0.0311","","","0.0697","0.0722","","","","","","1.056","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511868","4.8255","0.0006","19.958","0.003","5.5336","0.0007","90","","103.141","0.002","90","","518.97","0.12","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0301","0.0266","","","0.0584","0.06","","","","","","1.052","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511869","4.8117","0.0007","19.917","0.003","5.5101","0.0008","90","","103.221","0.002","90","","514.06","0.13","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0262","0.0239","","","0.0501","0.0509","","","","","","1.056","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511870","4.8078","0.0006","19.908","0.003","5.4958","0.0007","90","","103.298","0.002","90","","511.92","0.12","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0242","0.0224","","","0.0473","0.0479","","","","","","1.058","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511871","4.809","0.0006","19.923","0.003","5.4926","0.0007","90","","103.349","0.002","90","","512.03","0.12","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0236","0.0219","","","0.0496","0.0501","","","","","","1.043","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511872","5.5048","0.0004","6.445","0.0005","19.4446","0.0014","90","","90.435","0.001","90","","689.84","0.09","300","","300","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 -","- C18 H20 -","- C36 H40 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.073","0.0539","","","0.1463","0.1598","","","","","","1.028","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511873","5.4415","0.0003","6.3079","0.0003","19.222","0.0009","90","","91.243","0.001","90","","659.63","0.06","90","","90","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 -","- C18 H20 -","- C36 H40 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0447","0.041","","","0.1127","0.1166","","","","","","1.043","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511874","16.3369","0.0012","7.4739","0.0006","22.5773","0.0017","90","","90","","90","","2756.7","0.4","300","","300","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C17 H18 -","- C17 H18 -","- C136 H144 -","8","1","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0983","0.0661","","","0.1446","0.168","","","","","","1.063","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511875","16.1474","0.0008","7.2794","0.0004","22.4687","0.0011","90","","90","","90","","2641","0.2","90","","90","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C17 H18 -","- C17 H18 -","- C136 H144 -","8","1","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0488","0.0444","","","0.1179","0.1225","","","","","","1.069","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511876","10.5992","0.0006","6.5465","0.0004","10.7201","0.0006","90","","97.286","0.001","90","","737.84","0.07","300","","300","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 -","- C18 H22 -","- C36 H44 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0794","0.0681","","","0.2382","0.2559","","","","","","1.101","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511877","10.4841","0.0002","6.5711","0.0001","10.3523","0.0002","90","","97.34","0.001","90","","707.35","0.02","90","","90","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 -","- C18 H22 -","- C36 H44 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.044","0.0405","","","0.1138","0.1176","","","","","","1.061","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511878","5.8389","0.0004","17.2035","0.0012","6.6533","0.0005","90","","112.747","0.001","90","","616.34","0.08","300","","300","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0563","0.0463","","","0.1319","0.1422","","","","","","1.063","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511879","5.7726","0.0003","17.0351","0.0009","6.6086","0.0004","90","","112.553","0.001","90","","600.17","0.06","200","","200","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0447","0.0392","","","0.1088","0.1141","","","","","","1.073","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511880","5.7047","0.0002","16.8879","0.0007","6.5872","0.0003","90","","112.365","0.001","90","","586.88","0.04","90","","90","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0418","0.0393","","","0.1063","0.1086","","","","","","1.051","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511881","5.721","0.0003","17.3014","0.001","6.4223","0.0004","90","","111.047","0.001","90","","593.28","0.06","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 -","- C14 H10 Cl2 -","- C28 H20 Cl4 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.032","0.028","","","0.0703","0.0733","","","","","","1.051","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511882","5.6669","0.0003","17.2268","0.0008","6.3486","0.0003","90","","110.947","0.001","90","","578.81","0.05","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 -","- C14 H10 Cl2 -","- C28 H20 Cl4 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0237","0.0224","","","0.0588","0.0596","","","","","","1.08","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511883","5.616","0.0002","17.1845","0.0007","6.2868","0.0003","90","","110.843","0.001","90","","567.02","0.04","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 -","- C14 H10 Cl2 -","- C28 H20 Cl4 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0215","0.0208","","","0.0532","0.0537","","","","","","1.107","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511884","7.3135","0.0002","7.6312","0.0002","20.5697","0.0005","90","","99.462","0.001","90","","1132.39","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N O9 P2 Pb -","- C4 H11 N O9 P2 Pb -","- C16 H44 N4 O36 P8 Pb4 -","4","1","","Demadis, Konstantinos D.; Armakola, Eirini; Papathanasiou, Konstantinos E.; Mezei, Gellert; Kirillov, Alexander M.","Structural Systematics and Topological Analysis of Coordination Polymers with Divalent Metals and a Glycine-Derived Tripodal Phosphonocarboxylate","Crystal Growth & Design","2014","14","10","5234","","10.1021/cg501029b","","","0.71073","MoKα","","0.0313","0.0222","","","0.0414","0.0435","","","","","","1.057","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511885","7.12","0.0004","7.2986","0.0005","10.5043","0.0006","78.615","0.005","80.272","0.005","88.585","0.005","527.41","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H11 Ca N O9 P2 -","- C4 H11 Ca N O9 P2 -","- C8 H22 Ca2 N2 O18 P4 -","2","1","","Demadis, Konstantinos D.; Armakola, Eirini; Papathanasiou, Konstantinos E.; Mezei, Gellert; Kirillov, Alexander M.","Structural Systematics and Topological Analysis of Coordination Polymers with Divalent Metals and a Glycine-Derived Tripodal Phosphonocarboxylate","Crystal Growth & Design","2014","14","10","5234","","10.1021/cg501029b","","","0.71073","MoKα","","0.06","0.0417","","","0.0963","0.1056","","","","","","1.057","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511886","9.3466","0.0002","12.7982","0.0003","13.2133","0.0003","67.255","0.001","74.391","0.001","86.595","0.001","1402.13","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 Ba3.5 N2 O22 P4 -","- C8 H23 Ba3.5 N2 O22 P4 -","- C16 H46 Ba7 N4 O44 P8 -","2","1","","Demadis, Konstantinos D.; Armakola, Eirini; Papathanasiou, Konstantinos E.; Mezei, Gellert; Kirillov, Alexander M.","Structural Systematics and Topological Analysis of Coordination Polymers with Divalent Metals and a Glycine-Derived Tripodal Phosphonocarboxylate","Crystal Growth & Design","2014","14","10","5234","","10.1021/cg501029b","","","0.71073","MoKα","","0.0329","0.0242","","","0.0549","0.0588","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511887","7.3371","0.0002","7.518","0.0002","20.5697","0.0005","90","","100.074","0.001","90","","1117.14","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N O9 P2 Sr -","- C4 H11 N O9 P2 Sr -","- C16 H44 N4 O36 P8 Sr4 -","4","1","","Demadis, Konstantinos D.; Armakola, Eirini; Papathanasiou, Konstantinos E.; Mezei, Gellert; Kirillov, Alexander M.","Structural Systematics and Topological Analysis of Coordination Polymers with Divalent Metals and a Glycine-Derived Tripodal Phosphonocarboxylate","Crystal Growth & Design","2014","14","10","5234","","10.1021/cg501029b","","","0.71073","MoKα","","0.0406","0.027","","","0.0525","0.0559","","","","","","1.016","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511888","18.806","0.003","21.967","0.003","24.552","0.003","93.628","0.002","111.811","0.002","113.559","0.002","8360","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- Ce2 H57 K10 Na5 O152 Se4 W35 -","- Ce2 K9 Na4 O134 Se4 W35 -","- Ce4 K18 Na8 O268 Se8 W70 -","2","1","","Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates","Crystal Growth & Design","2014","14","10","5099","","10.1021/cg500719q","","","0.71073","MoKα","","0.0907","0.0698","","","0.176","0.1856","","","","","","0.972","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511889","19.4192","0.0013","19.9929","0.0013","26.9568","0.0017","70.225","0.001","70.385","0.001","63.681","0.001","8611.2","1","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C10 H93 Ce2 K3 N4 Na10 O155 Se4 W35 -","- C10 H35 Ce2 K2.1 N4 Na3.4 O141.5 Se4 W35 -","- C20 H70 Ce4 K4.2 N8 Na6.8 O283 Se8 W70 -","2","1","","Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates","Crystal Growth & Design","2014","14","10","5099","","10.1021/cg500719q","","","0.71073","MoKα","","0.0975","0.0518","","","0.111","0.1234","","","","","","0.934","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511890","28.706","0.005","13.68","0.0018","22.75","0.004","90","","114.522","0.004","90","","8128","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H62 N4 Na4 O77 Se2 W18 -","- C8 H32 N4 Na2.01 O68 Se2 W18 -","- C32 H128 N16 Na8.04 O272 Se8 W72 -","4","0.5","","Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates","Crystal Growth & Design","2014","14","10","5099","","10.1021/cg500719q","","","0.71073","MoKα","","0.0749","0.0557","","","0.1455","0.1538","","","","","","1.107","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511891","14.1071","0.0012","15.4752","0.0013","21.2067","0.0017","107.471","0.001","97.631","0.001","97.319","0.001","4307.9","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H104 K N10 Na5 O136 Se4 W36 -","- C20 H80 K0.5 N10 Na O131 Se4 W36 -","- C20 H80 K0.5 N10 Na O131 Se4 W36 -","1","0.5","","Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates","Crystal Growth & Design","2014","14","10","5099","","10.1021/cg500719q","","","0.71073","MoKα","","0.072","0.0422","","","0.0942","0.102","","","","","","0.944","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511892","14.1124","0.0014","15.5421","0.0016","20.97","0.002","105.483","0.002","95.186","0.002","94.1","0.002","4392.5","0.8","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H120 K N10 Na O160 Se6 W38 Zr4 -","- C20 H80 K N10 Na O158 Se6 W38 Zr4 -","- C20 H80 K N10 Na O158 Se6 W38 Zr4 -","1","0.5","","Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates","Crystal Growth & Design","2014","14","10","5099","","10.1021/cg500719q","","","0.71073","MoKα","","0.1094","0.0571","","","0.1189","0.1355","","","","","","0.978","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511893","8.7561","0.0009","9.8293","0.0008","10.7014","0.0009","102.747","0.007","100.48","0.008","106.662","0.008","830.46","0.14","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C38 H38 N6 O6 -","2","1","","Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Pereshivko, Olga P.; Van Hecke, Kristof; Zamigaylo, Lali L.; Van der Eycken, Erik V.; Gorobets, Nikolay Yu","Three-Component Reaction of a 2-Aminoazine, a 2-Oxoaldehyde, and a Cyclic 1,3-Dicarbonyl Compound for the Synthesis of Imidazo[1,2-a]azine Derivatives.","ACS combinatorial science","2014","16","10","535","542","10.1021/co5000695","","","1.5418","CuKα","","0.0692","0.0518","","","0.132","0.1485","","","","","","1.039","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511894","7.7985","0.0007","8.6433","0.0008","11.7773","0.0007","88.318","0.006","87.011","0.006","63.972","0.009","712.35","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C28 H32 N8 O8 -","2","1","","Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Pereshivko, Olga P.; Van Hecke, Kristof; Zamigaylo, Lali L.; Van der Eycken, Erik V.; Gorobets, Nikolay Yu","Three-Component Reaction of a 2-Aminoazine, a 2-Oxoaldehyde, and a Cyclic 1,3-Dicarbonyl Compound for the Synthesis of Imidazo[1,2-a]azine Derivatives.","ACS combinatorial science","2014","16","10","535","542","10.1021/co5000695","","","1.5418","CuKα","","0.0511","0.0405","","","0.1123","0.1225","","","","","","1.04","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511895","7.683","0.002","8.191","0.002","23.307","0.006","98.202","0.005","92.589","0.005","103.123","0.004","1409.2","0.6","170","2","170","2","","","","","","","","4","P -1","-P 1","2","theopylline 3-hydroxybenzoic acid complex","","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","2","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.0674","0.0543","","","0.1303","0.1382","","","","","","1.091","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511896","15.327","0.007","6.792","0.003","14.041","0.006","90","","106.297","0.004","90","","1403","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theopylline 2,3-dihydroxybenzoic acid complex","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.1305","0.0567","","","0.122","0.1628","","","","","","1.079","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511897","12.565","0.004","7.894","0.003","14.528","0.005","90","","98.84","0.006","90","","1423.9","0.9","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theopylline 2,4-dihydroxybenzoic acid complex","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.0451","0.0429","","","0.1207","0.1234","","","","","","1.035","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511898","14.6593","0.0019","6.5583","0.0008","15.727","0.002","90","","94.043","0.001","90","","1508.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theopylline 2,6-dihydroxybenzoic acid salt monohydrate","","","- C14 H16 N4 O7 -","- C14 H16 N4 O7 -","- C56 H64 N16 O28 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.0809","0.0388","","","0.1129","0.1635","","","","","","0.997","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511899","8.0694","0.0012","8.5782","0.0013","11.5578","0.0017","103.147","0.002","104.97","0.002","105.358","0.002","706.7","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","theopylline 3,4-dihydroxybenzoic acid complex","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.0462","0.0351","","","0.1028","0.1202","","","","","","0.81","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511900","7.2253","0.0017","7.9998","0.0019","12.65","0.003","81.24","0.004","85.071","0.004","82.509","0.004","714.9","0.3","170","2","170","2","","","","","","","","4","P -1","-P 1","2","theopylline 3,5-dihydroxybenzoic acid complex","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.0717","0.0585","","","0.1541","0.1674","","","","","","1.023","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511901","15.2261","0.0005","11.1905","0.0004","17.3055","0.0006","90","","90","","90","","2948.64","0.18","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H40 Cl Ir P2 -","- C32 H40 Cl Ir P2 -","- C128 H160 Cl4 Ir4 P8 -","4","1","","Bézier, David; Brookhart, Maurice","Applications of PC(sp3)P Iridium Complexes in Transfer Dehydrogenation of Alkanes","ACS Catalysis","2014","4","10","3411","","10.1021/cs500892p","","","1.54178","CuKα","","0.0163","0.0161","","","0.0372","0.0373","","","","","","1.074","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511902","51.343","0.009","4.8679","0.0008","7.6195","0.0013","90","","92.83","0.003","90","","1902","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 N O3 -","- C18 H35 N O3 -","- C72 H140 N4 O12 -","4","1","","Reddy, S. Thirupathi; Krovi, Krishna Prasad; Swamy, Musti J.","Structure and Thermotropic Phase Behavior of a Homologous Series ofN-Acylglycines: Neuroactive and Antinociceptive Constituents of Biomembranes","Crystal Growth & Design","2014","14","10","4944","","10.1021/cg500481u","","","0.71073","MoKα","","0.1295","0.0874","","","0.2142","0.244","","","","","","0.97","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511903","92.388","0.016","4.86","0.0008","7.6485","0.0013","90","","91.702","0.004","90","","3432.7","1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H31 N O3 -","- C16 H31 N O3 -","- C128 H248 N8 O24 -","8","1","","Reddy, S. Thirupathi; Krovi, Krishna Prasad; Swamy, Musti J.","Structure and Thermotropic Phase Behavior of a Homologous Series ofN-Acylglycines: Neuroactive and Antinociceptive Constituents of Biomembranes","Crystal Growth & Design","2014","14","10","4944","","10.1021/cg500481u","","","0.71073","MoKα","","0.0987","0.0805","","","0.2072","0.218","","","","","","1.115","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511904","10.9398","0.0017","11.0705","0.0017","11.7353","0.0018","106.846","0.007","100.623","0.007","102.977","0.007","1277.2","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H29 Cl F N O9 -","- C23 H29 Cl F N O9 -","- C46 H58 Cl2 F2 N2 O18 -","2","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.1165","0.098","","","0.2288","0.238","","","","","","1.153","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511905","6.002","0.003","11.525","0.007","35.29","0.02","90","","90","","90","","2441","2","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Cl F N O4 -","- C28 H29 Cl F N O4 -","- C112 H116 Cl4 F4 N4 O16 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0548","0.0467","","","0.1271","0.1534","","","","","","1.11","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511906","36.09","0.02","8.178","0.004","11.344","0.006","90","","107.542","0.011","90","","3192","3","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H35 Cl F N O8 -","- C35 H35 Cl F N O8 -","- C140 H140 Cl4 F4 N4 O32 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0518","0.0446","","","0.1187","0.1422","","","","","","1.135","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511907","17.732","0.007","13.844","0.005","11.508","0.005","90","","116.485","0.003","90","","2528.5","1.7","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H29 Cl F N O5 -","- C28 H29 Cl F N O5 -","- C112 H116 Cl4 F4 N4 O20 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0695","0.064","","","0.1778","0.1898","","","","","","1.08","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511908","8.1733","0.0009","14.5646","0.0016","15.5899","0.0017","70.835","0.005","80.524","0.006","74.251","0.005","1681.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H35 Cl F N O9 -","- C38 H35 Cl F N O9 -","- C76 H70 Cl2 F2 N2 O18 -","2","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.1146","0.0697","","","0.1569","0.1797","","","","","","1.034","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511909","18.369","0.002","13.121","0.0013","12.0966","0.0017","90","","119.324","0.004","90","","2541.9","0.5","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H29 Cl F N O6 -","- C28 H29 Cl F N O6 -","- C112 H116 Cl4 F4 N4 O24 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0792","0.0569","","","0.1349","0.1687","","","","","","1.019","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511910","8.2696","0.0011","14.4385","0.0016","21.086","0.003","90","","101.095","0.004","90","","2470.6","0.6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Cl F N O6 -","- C28 H29 Cl F N O6 -","- C112 H116 Cl4 F4 N4 O24 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0654","0.0601","","","0.171","0.1788","","","","","","1.111","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511911","9.5485","0.0012","10.3924","0.0013","13.2217","0.0016","107.554","0.008","98.463","0.007","104.392","0.007","1176.1","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H29 Cl F N O7 S -","- C22 H29 Cl F N O7 S -","- C44 H58 Cl2 F2 N2 O14 S2 -","2","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0629","0.0528","","","0.1519","0.163","","","","","","1.074","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511912","9.128","0.002","16.485","0.004","19.142","0.004","65.453","0.008","81.007","0.007","89.606","0.006","2582.4","1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H29 Cl F N O5 S -","- C27 H29 Cl F N O5 S -","- C108 H116 Cl4 F4 N4 O20 S4 -","4","2","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.2474","0.0957","","","0.1696","0.2259","","","","","","0.95","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511913","20.102","0.003","8.0056","0.0012","17.761","0.003","90","","105.577","0.007","90","","2753.3","0.8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Cl F N O6 S -","- C28 H33 Cl F N O6 S -","- C112 H132 Cl4 F4 N4 O24 S4 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.1267","0.0753","","","0.1862","0.2111","","","","","","1.075","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511914","9.1622","0.0007","19.9765","0.0016","10.0933","0.0009","90","","93.357","0.002","90","","1844.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 N4 O10 Sn2 -","- C30 H52 N4 O10 Sn2 -","- C60 H104 N8 O20 Sn4 -","2","0.5","","Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli","Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C‒H···O Interactions Leading to Tetrameric Uracil Motifs","Crystal Growth & Design","2014","14","10","5171","","10.1021/cg500900n","","","0.71073","MoKα","","0.0525","0.0486","","","0.1189","0.1225","","","","","","1.061","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511915","12.2838","0.0017","19.749","0.003","18.497","0.003","90","","97.699","0.002","90","","4446.8","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H34 N2 O4 Sn -","- C19 H34 N2 O4 Sn -","- C152 H272 N16 O32 Sn8 -","8","2","","Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli","Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C‒H···O Interactions Leading to Tetrameric Uracil Motifs","Crystal Growth & Design","2014","14","10","5171","","10.1021/cg500900n","","","0.71073","MoKα","","0.1084","0.083","","","0.1706","0.207","","","","","","1.145","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511916","7.977","0.005","10.434","0.005","18.12","0.005","102.919","0.005","96.199","0.005","93.676","0.005","1455.3","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 N4 O11 Te -","- C28 H30 N4 O11 Te -","- C56 H60 N8 O22 Te2 -","2","1","","Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli","Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C‒H···O Interactions Leading to Tetrameric Uracil Motifs","Crystal Growth & Design","2014","14","10","5171","","10.1021/cg500900n","","","0.71069","MoKα","","0.0896","0.063","","","0.1454","0.1562","","","","","","1.078","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511917","12.164","0.005","12.682","0.005","16.184","0.005","103.087","0.005","93.109","0.005","93.964","0.005","2419.7","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H54 N4 O16 Te2 -","- C45 H54 N4 O16 Te2 -","- C90 H108 N8 O32 Te4 -","2","1","","Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli","Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C‒H···O Interactions Leading to Tetrameric Uracil Motifs","Crystal Growth & Design","2014","14","10","5171","","10.1021/cg500900n","","","0.71069","MoKα","","0.0958","0.0611","","","0.1378","0.1818","","","","","","1.081","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511918","9.583","0.005","9.934","0.005","10.942","0.005","78.546","0.005","84.329","0.005","85.907","0.005","1014.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H44 Cu2 N8 O24 -","- C28 H44 Cu2 N8 O24 -","- C28 H44 Cu2 N8 O24 -","1","0.5","","Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli","Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C‒H···O Interactions Leading to Tetrameric Uracil Motifs","Crystal Growth & Design","2014","14","10","5171","","10.1021/cg500900n","","","0.71069","MoKα","","0.0358","0.0349","","","0.0968","0.0981","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511919","7.8208","0.0012","29.207","0.005","9.9899","0.0015","90","","100.114","0.002","90","","2246.5","0.6","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","RsC1, bpy, acetonitrile","C-methylresorcinol[4]arene, 4,4'-bipyridine, acetonitrile","","- C54 H51 N5 O8 -","- C54 H51 N5 O8 -","- C108 H102 N10 O16 -","2","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.0951","0.0495","","","0.1058","0.1228","","","","","","1.021","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511920","10.051","0.002","25.409","0.005","11.661","0.002","90","","91.889","0.002","90","","2976.4","1","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","RsC1, bpe, acetonitrile","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)ethylene, acetonitrile","","- C64 H64 N8 O8 -","- C64 H52 N8 O8 -","- C128 H104 N16 O16 -","2","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.117","0.0846","","","0.2357","0.2535","","","","","","1.138","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511921","14.917","0.003","43.998","0.008","18.223","0.003","90","","102.821","0.002","90","","11662","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RsC1, bpe, ethanol","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)ethylene, ethanol","","- C128 H120 N8 O24 -","- C128 H126 N8 O24 -","- C512 H504 N32 O96 -","4","1","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.1267","0.0706","","","0.179","0.2156","","","","","","1.022","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511922","10.129","0.0018","25.369","0.004","11.478","0.002","90","","91.57","0.002","90","","2948.3","0.9","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","RsC1, bpa, acetonitrile","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)acetylene, acetonitrile","","- C66 H63 N9 O8 -","- C66 H58 N9 O8 -","- C132 H116 N18 O16 -","2","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.1028","0.0644","","","0.1723","0.2004","","","","","","1.032","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511923","14.663","0.0005","44.452","0.0015","18.3387","0.0007","90","","102.492","0.002","90","","11670.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RsC1, bpa, ethanol","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)acetylene, ethanol","","- C128 H96 N8 O24 -","- C128 H96 N8 O24 -","- C512 H384 N32 O96 -","4","1","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","1.54178","CuKα","","0.0709","0.0618","","","0.1706","0.1783","","","","","","1.057","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511924","9.1322","0.0007","24.8245","0.0019","24.9616","0.0019","90","","91.72","0.001","90","","5656.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RsC3, bpy, acetonitrile","C-propylresorcinol[4]arene, 4,4'-bipyridine, acetonitrile","","- C134 H142 N12 O16 -","- C134 H142 N12 O16 -","- C268 H284 N24 O32 -","2","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.0828","0.0486","","","0.1049","0.1193","","","","","","1.033","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511925","13.9236","0.0011","16.3535","0.0013","23.4788","0.0019","94.21","0.001","102.18","0.001","95.903","0.001","5173.1","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","RsC3, bpy, ethanol","C-propylresorcinol[4]arene, 4,4'-bipyridine, ethanol","","- C116 H117.7 N6 O19 -","- C116 H116.2 N6 O19 -","- C232 H232.4 N12 O38 -","2","1","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.098","0.0575","","","0.1483","0.1756","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511926","18.323","0.002","19.33","0.002","19.995","0.003","95.078","0.002","98.447","0.002","110.844","0.002","6470.3","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","RsC3, bpe, acetonitrile","C-propylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)ethylene, acetonitrile","","- C143.2 H142.8 N15.6 O16 -","- C143.6 H121 N16 O16 -","- C287.2 H242 N32 O32 -","2","1","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.1159","0.0782","","","0.219","0.2571","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511927","16.7317","0.0012","15.0613","0.0011","23.7764","0.0017","90","","102.962","0.001","90","","5839","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","RsC3, bpe, ethanol","C-propylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)ethylene, acetonitrile","","- C132 H168 N8 O22 -","- C132 H128 N8 O20.4 -","- C264 H256 N16 O40.8 -","2","0.25","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.0979","0.0682","","","0.1928","0.2158","","","","","","1.045","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511928","18.9176","0.0014","13.1485","0.0009","27.231","0.0019","90","","104.453","0.001","90","","6559","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","RsC1, bpa, acetonitrile","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)acetylene, acetonitrile","","- C70 H73 N7 O8 -","- C70 H64 N7 O8 -","- C280 H256 N28 O32 -","4","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.0828","0.0657","","","0.1964","0.2112","","","","","","1.066","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511929","11.1659","0.0004","11.3572","0.0004","24.089","0.0009","77.464","0.001","81.008","0.001","84.342","0.001","2938.7","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","RsC3, bpa, ethanol","C-propylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)acetylene, ethanol","","- C136 H152 N9 O20 -","- C136 H146 N10 O20 -","- C136 H146 N10 O20 -","1","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","1.54178","CuKα","","0.0733","0.0713","","","0.2067","0.2091","","","","","","1.044","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511930","24.0884","0.0016","10.7929","0.0008","16.199","0.0011","90","","90.677","0.002","90","","4211.2","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Ag2 N4 O11 S2 -","- C44 H34 Ag2 N4 O11 S2 -","- C176 H136 Ag8 N16 O44 S8 -","4","0.5","","Banerjee, Kaustuv; Roy, Sandipan; Biradha, Kumar","Design, Synthesis, and Photoluminescence Properties of One-, Two-, and Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic Interactions as Building Blocks","Crystal Growth & Design","2014","14","10","5164","","10.1021/cg500898c","","","0.71073","MoKα","","0.0626","0.0387","","","0.1139","0.1294","","","","","","0.88","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511931","7.549","0.0015","11.126","0.002","13.287","0.003","103.367","0.006","105.626","0.006","93.767","0.006","1035.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 Ag2 N4 O10 S2 -","- C46 H38 Ag2 N4 O10 S2 -","- C46 H38 Ag2 N4 O10 S2 -","1","0.5","","Banerjee, Kaustuv; Roy, Sandipan; Biradha, Kumar","Design, Synthesis, and Photoluminescence Properties of One-, Two-, and Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic Interactions as Building Blocks","Crystal Growth & Design","2014","14","10","5164","","10.1021/cg500898c","","","0.71073","MoKα","","0.073","0.039","","","0.0585","0.0648","","","","","","1.361","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511932","7.4241","0.0007","14.8914","0.0014","14.959","0.002","114.498","0.004","99.31","0.004","100.904","0.003","1423.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H60 Ag3 N7 O17 S2 -","- C56 H44 Ag3 N6 O14 S2 -","- C56 H44 Ag3 N6 O14 S2 -","1","0.5","","Banerjee, Kaustuv; Roy, Sandipan; Biradha, Kumar","Design, Synthesis, and Photoluminescence Properties of One-, Two-, and Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic Interactions as Building Blocks","Crystal Growth & Design","2014","14","10","5164","","10.1021/cg500898c","","","0.71073","MoKα","","0.1225","0.0672","","","0.1249","0.1294","","","","","","2.25","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511933","8.496","0.003","11.529","0.004","12.34","0.004","102.401","0.01","101.842","0.009","106.29","0.009","1086.7","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 Ag2 N4 O12 S2 -","- C44 H34 Ag2 N4 O12 S2 -","- C44 H34 Ag2 N4 O12 S2 -","1","0.5","","Banerjee, Kaustuv; Roy, Sandipan; Biradha, Kumar","Design, Synthesis, and Photoluminescence Properties of One-, Two-, and Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic Interactions as Building Blocks","Crystal Growth & Design","2014","14","10","5164","","10.1021/cg500898c","","","0.71073","MoKα","","0.1417","0.0787","","","0.1593","0.1666","","","","","","1.862","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511934","11.0439","0.001","13.4634","0.0011","16.302","0.0014","66.454","0.002","73.33","0.002","67.759","0.002","2030.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H26 Ag2 N7 O9 S -","- C34 H28 Ag2 N4 O2 -","- C68 H56 Ag4 N8 O4 -","2","1","","Banerjee, Kaustuv; Roy, Sandipan; Biradha, Kumar","Design, Synthesis, and Photoluminescence Properties of One-, Two-, and Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic Interactions as Building Blocks","Crystal Growth & Design","2014","14","10","5164","","10.1021/cg500898c","","","0.71073","MoKα","","0.0767","0.0454","","","0.0696","0.0723","","","","","","1.591","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511935","9.8819","0.0004","24.9614","0.0009","25.3649","0.0009","90","","90","","90","","6256.7","0.4","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2C60 . 2.46CS2/0.54I2","","","- C122.46 I1.09 S4.91 -","- C122.458 I1.0844 S4.9156 -","- C489.831 I4.3376 S19.6624 -","4","1","","Ghiassi, Kamran B.; Bowles, Faye L.; Chen, Susanne Y.; Olmstead, Marilyn M.; Balch, Alan L.","Incorporation of the Similarly Sized Molecules, Diiodine and Carbon Disulfide, into Cocrystals Formed with the Fullerenes, C60or C70","Crystal Growth & Design","2014","14","10","5131","","10.1021/cg500817w","","","0.71073","MoKα","","0.0449","0.0412","","","0.1011","0.1037","","","","","","1.05","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511936","11.0613","0.0007","21.9269","0.0013","14.0907","0.0009","90","","90.065","0.003","90","","3417.6","0.4","90","2","90","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","C70 . I2","","","- C70 I2 -","- C70 I2 -","- C280 I8 -","4","1","","Ghiassi, Kamran B.; Bowles, Faye L.; Chen, Susanne Y.; Olmstead, Marilyn M.; Balch, Alan L.","Incorporation of the Similarly Sized Molecules, Diiodine and Carbon Disulfide, into Cocrystals Formed with the Fullerenes, C60or C70","Crystal Growth & Design","2014","14","10","5131","","10.1021/cg500817w","","","0.71073","MoKα","","0.0192","0.0175","","","0.0446","0.0453","","","","","","1.084","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511937","28.316","0.005","28.318","0.005","34.196","0.006","90","","90","","90","","27420","8","90","2","90","2","","","","","","","","3","F d d d","-F 2uv 2vw","70","C70 . 0.68 I2 . 0.32 CS2","","","- C70.32 I1.36 S0.64 -","- C70.3177 I1.3645 S0.6355 -","- C2250.17 I43.664 S20.336 -","32","","","Ghiassi, Kamran B.; Bowles, Faye L.; Chen, Susanne Y.; Olmstead, Marilyn M.; Balch, Alan L.","Incorporation of the Similarly Sized Molecules, Diiodine and Carbon Disulfide, into Cocrystals Formed with the Fullerenes, C60or C70","Crystal Growth & Design","2014","14","10","5131","","10.1021/cg500817w","","","0.71073","MoKα","","0.0364","0.0288","","","0.063","0.0685","","","","","","1.072","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511938","11.0939","0.0012","21.932","0.002","14.0954","0.0016","90","","90.106","0.002","90","","3429.6","0.6","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","c70 . 0.85 I2 . 0.15 CS2","","","- C70.15 I1.7 S0.3 -","- C70.15 I1.7 S0.3 -","- C280.6 I6.8 S1.2 -","4","1","","Ghiassi, Kamran B.; Bowles, Faye L.; Chen, Susanne Y.; Olmstead, Marilyn M.; Balch, Alan L.","Incorporation of the Similarly Sized Molecules, Diiodine and Carbon Disulfide, into Cocrystals Formed with the Fullerenes, C60or C70","Crystal Growth & Design","2014","14","10","5131","","10.1021/cg500817w","","","0.71073","MoKα","","0.0198","0.0184","","","0.047","0.0476","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511939","12.5","0.05","9.96","0.04","11.72","0.05","90","","107.413","0.004","90","","1392","10","298","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 O19 P6 Yb2 -","- C18 H24 O19 P6 Yb2 -","- C36 H48 O38 P12 Yb4 -","2","0.5","","Paz, Filipe A. Almeida; Vilela, Sérgio M. F.; Tomé, João P. C.","Layered Metal‒Organic Frameworks Based on Octahedral Lanthanides and a Phosphonate Linker: Control of Crystal Size","Crystal Growth & Design","2014","14","10","4873","","10.1021/cg500875m","powder diffraction","","0.39981","Synchrotron","","","","","","","","","1.82","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511940","12.5512","0.0017","10.2649","0.0015","11.9","0.0015","90","","107.231","0.005","90","","1464.3","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Eu2 O19 P6 -","- C18 H24 Eu2 O19 P6 -","- C36 H48 Eu4 O38 P12 -","2","0.5","","Paz, Filipe A. Almeida; Vilela, Sérgio M. F.; Tomé, João P. C.","Layered Metal‒Organic Frameworks Based on Octahedral Lanthanides and a Phosphonate Linker: Control of Crystal Size","Crystal Growth & Design","2014","14","10","4873","","10.1021/cg500875m","powder diffraction","","1.54175","CuKα","","","","","","","","","2.31","","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511941","9.60049","0.00012","9.03411","0.00012","11.17851","0.00015","90","","90","","90","","969.53","0.02","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 In N O8 -","- C8 In N O8 -","- C32 In4 N4 O32 -","4","0.5","","Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert","Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework","Crystal Growth & Design","2014","14","10","5310","","10.1021/cg501189n","powder diffraction","x-ray","0.827164","synchrotron","","","","","","","","","0.0355","1.144","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511942","13.663","0.0008","11.7211","0.0008","6.4221","0.0004","90","","99.7","0.005","90","","1013.77","0.11","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Al2 N2 O16 -","- C16 H12 Al2 N2 O16 -","- C32 H24 Al4 N4 O32 -","2","0.5","","Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert","Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework","Crystal Growth & Design","2014","14","10","5310","","10.1021/cg501189n","","","0.71073","MoKα","","0.0828","0.0562","","","0.1021","0.1103","","","","","","1.173","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511943","10.0568","0.0003","17.3408","0.0005","12.1952","0.0003","90","","111.985","0.002","90","","1972.1","0.1","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Ga2 N2 O16 -","- C16 H12 Ga2 N2 O16 -","- C64 H48 Ga8 N8 O64 -","4","1","","Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert","Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework","Crystal Growth & Design","2014","14","10","5310","","10.1021/cg501189n","","","0.71073","MoKα","","0.0543","0.0437","","","0.1023","0.1094","","","","","","1.117","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511944","37.133","0.0013","11.5278","0.0004","6.51553","0.00018","90","","109.266","0.003","90","","2632.85","0.16","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 Al3 N2 O21 -","- C16 Al3 N2 O21 -","- C64 Al12 N8 O84 -","4","0.5","","Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert","Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework","Crystal Growth & Design","2014","14","10","5310","","10.1021/cg501189n","powder diffraction","x-ray","0.827164","synchrotron","","","","","","","","","0.03","1.09523","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511945","8.2744","0.0009","17.2532","0.0012","11.0608","0.001","90","","102.849","0.01","90","","1539.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cl10 Mn9 O16 Sb8 -","- Cl10 Mn9 O16 Sb8 -","- Cl20 Mn18 O32 Sb16 -","2","1","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.1229","0.0631","","","0.0925","0.1039","","","","","","0.897","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511946","7.2406","0.0006","9.8413","0.0007","11.7694","0.001","90","","104.596","0.009","90","","811.59","0.12","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cl2 Mn4 O12 Sb6 -","- Cl2 Mn4 O12 Sb6 -","- Cl4 Mn8 O24 Sb12 -","2","0.5","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71069","MoKα","","0.1447","0.0521","","","0.0601","0.0738","","","","","","0.666","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511947","9.66","0.0004","9.9264","0.0003","9.8549","0.0003","72.656","0.002","65.874","0.003","63.865","0.003","766.18","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cl8 Fe7 O18 Sb10 -","- Cl8 Fe7 O18 Sb10 -","- Cl8 Fe7 O18 Sb10 -","1","0.5","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.0399","0.034","","","0.0808","0.0833","","","","","","1.01","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511948","9.9229","0.0003","10.0059","0.0003","10.1097","0.0003","72.723","0.002","64.669","0.003","64.836","0.003","812.99","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Br8 Fe7 O18 Sb10 -","- Br8 Fe7 O18 Sb10 -","- Br8 Fe7 O18 Sb10 -","1","0.5","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.0307","0.0239","","","0.0511","0.0545","","","","","","0.899","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511949","5.4698","0.0002","5.5479","0.0002","31.0882","0.0009","90","","90","","90","","943.4","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cl2 Mn O6 Sb4 -","- Cl2 Mn O6 Sb4 -","- Cl8 Mn4 O24 Sb16 -","4","1","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71069","MoKα","","0.0413","0.0306","","","0.0429","0.0443","","","","","","0.872","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511950","6.3099","0.0001","12.3959","0.0003","14.5287","0.0003","90","","90","","90","","1136.39","0.04","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- Br4 Fe3 O4 Sb2 -","- Br4 Fe3 O4 Sb2 -","- Br16 Fe12 O16 Sb8 -","4","","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.0337","0.0237","","","0.048","0.0494","","","","","","0.865","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511951","9.9492","0.0003","10.1015","0.0003","10.1338","0.0004","74.149","0.003","66.166","0.004","65.097","0.003","838.46","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Br8 Mn7 O18 Sb10 -","- Br8 Mn7 O18 Sb10 -","- Br8 Mn7 O18 Sb10 -","1","0.5","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.0455","0.0349","","","0.0703","0.0751","","","","","","1.102","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511952","8.6904","0.0002","5.4808","0.00013","16.144","0.005","90","","107.57","0.003","90","","733.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl2 Mn5 O12 Te4 -","- Cl2 Mn5 O12 Te4 -","- Cl4 Mn10 O24 Te8 -","2","0.5","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71069","MoKα","","0.0534","0.0334","","","0.0588","0.0625","","","","","","0.909","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511953","30.4597","0.0004","20.5182","0.0003","29.0708","0.0003","90","","103.115","0.001","90","","17694.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C138 H79 N89 O17 Zn15 -","- C138 H78 N89 O17 Zn15 -","- C552 H312 N356 O68 Zn60 -","4","0.5","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun","A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences","Crystal Growth & Design","2014","14","10","5011","","10.1021/cg500574x","","","1.54184","CuKα","","0.0879","0.0754","","","0.2473","0.2673","","","","","","1.008","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511954","14.2829","0.0003","18.2078","0.0004","23.5984","0.0005","110.89","0.002","97.618","0.002","99.347","0.002","5535.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H55 Cl N66 O6 Zn8 -","- C102 H55 Cl N66 O6 Zn8 -","- C204 H110 Cl2 N132 O12 Zn16 -","2","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun","A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences","Crystal Growth & Design","2014","14","10","5011","","10.1021/cg500574x","","","1.54184","CuKα","","0.0684","0.0587","","","0.161","0.166","","","","","","1.075","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511955","17.9776","0.0004","18.9548","0.0005","23.0341","0.0006","103.422","0.002","112.134","0.002","101.695","0.002","6695.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H56 Cd8 N68 O8 -","- C102 H56 Cd8 N68 O8 -","- C204 H112 Cd16 N136 O16 -","2","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun","A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences","Crystal Growth & Design","2014","14","10","5011","","10.1021/cg500574x","","","1.54184","CuKα","","0.0577","0.0487","","","0.1543","0.1611","","","","","","0.987","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511956","17.7418","0.0002","14.7801","0.0002","29.7778","0.0004","90","","93.406","0.001","90","","7794.71","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H37 Ag7 N44 -","- C68 H37 Ag7 N44 -","- C272 H148 Ag28 N176 -","4","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun","A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences","Crystal Growth & Design","2014","14","10","5011","","10.1021/cg500574x","","","1.54184","CuKα","","0.0395","0.0342","","","0.0848","0.0874","","","","","","1.03","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511957","20.2466","0.0003","29.3207","0.0004","43.1643","0.0006","90","","90","","90","","25624.2","0.6","100","2","100","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C208 H130 Ag18 N132 O34 -","- C208 H120 Ag18 N132 O34 -","- C832 H480 Ag72 N528 O136 -","4","0.25","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun","A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences","Crystal Growth & Design","2014","14","10","5011","","10.1021/cg500574x","","","1.54184","CuKα","","0.0877","0.0781","","","0.2205","0.2289","","","","","","1.064","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511958","8.2728","0.0008","7.8636","0.0008","23.762","0.002","90","","96.295","0.002","90","","1536.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Acedapsone","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C64 H64 N8 O16 S4 -","4","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Pentamorphs of Acedapsone","Crystal Growth & Design","2014","14","10","5260","","10.1021/cg5010424","","","0.71073","MoKα","","0.0659","0.045","","","0.114","0.125","","","","","","1.03","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511959","24.519","0.003","8.0444","0.0007","16.2501","0.0015","90","","105.767","0.002","90","","3084.6","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Acedapsone","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C128 H128 N16 O32 S8 -","8","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Pentamorphs of Acedapsone","Crystal Growth & Design","2014","14","10","5260","","10.1021/cg5010424","","","0.71073","MoKα","","0.0446","0.0427","","","0.1113","0.1134","","","","","","1.09","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511960","9.19703","0.00006","9.19703","","9.19703","","90","","90","","90","","777.934","0.005","299","","299","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al6 Ca4 O16 S -","- Al6 Ca4 O16 S -","- Al12 Ca8 O31.9999 S2 -","2","0.0416667","","Cuesta, Ana; De la Torre, Ángeles G.; Losilla, Enrique R.; Santacruz, Isabel; Aranda, Miguel A. G.","Pseudocubic Crystal Structure and Phase Transition in Doped Ye’elimite","Crystal Growth & Design","2014","14","10","5158","","10.1021/cg501290q","powder diffraction","x-ray","0.6202","","","","","","","","","0.08441","","5.64","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511961","45.597","0.006","45.597","0.006","40.718","0.008","90","","90","","120","","73314","2","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C185 H75 In4 N O34 -","- C185 H75 In4 N O34 -","- C1665 H675 In36 N9 O306 -","9","0.5","","Cho, Eun-Young; Gu, Ja-Min; Choi, In-Hwan; Kim, Wan-Seok; Hwang, Yong-Kyung; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee","Encapsulation of Various Guests by an Anionic In-Metal‒Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal‒Organic Framework","Crystal Growth & Design","2014","14","10","5026","","10.1021/cg5005837","","","0.71073","MoKα","","0.3237","0.0925","","","0.2502","0.3075","","","","","","0.671","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511962","44.1252","0.0008","44.1252","0.0008","42.2961","0.0009","90","","90","","120","","71319","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C72.67 H40 In2 O21.83 -","- C72.66 H40 In2 O21.8333 -","- C1307.88 H720 In36 O393 -","18","1","","Cho, Eun-Young; Gu, Ja-Min; Choi, In-Hwan; Kim, Wan-Seok; Hwang, Yong-Kyung; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee","Encapsulation of Various Guests by an Anionic In-Metal‒Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal‒Organic Framework","Crystal Growth & Design","2014","14","10","5026","","10.1021/cg5005837","","","0.71073","MoKα","","0.2075","0.1153","","","0.3365","0.3758","","","","","","1.074","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511963","44.2269","0.0019","44.2269","0.0019","42.519","0.002","90","","90","","120","","72026","6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C72 H36 In2 O16 -","- C72 H36 In2 O16 -","- C1296 H648 In36 O288 -","18","1","","Cho, Eun-Young; Gu, Ja-Min; Choi, In-Hwan; Kim, Wan-Seok; Hwang, Yong-Kyung; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee","Encapsulation of Various Guests by an Anionic In-Metal‒Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal‒Organic Framework","Crystal Growth & Design","2014","14","10","5026","","10.1021/cg5005837","","","0.71073","MoKα","","0.2312","0.0608","","","0.1598","0.2055","","","","","","0.869","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511964","5.4857","0.0003","11.4417","0.0004","9.9624","0.0005","90","","98.663","0.005","90","","618.16","0.05","290","","290","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Creatine anhydrate B","N-(aminoiminomethyl)-N-methyl glycine","","- C4 H9 N3 O2 -","- C4 H9 N3 O2 -","- C16 H36 N12 O8 -","4","1","","Braun, Doris E.; Orlova, Maria; Griesser, Ulrich J.","Creatine: Polymorphs Predicted and Found","Crystal Growth & Design","2014","14","10","4895","","10.1021/cg501159c","powder diffraction","","1.54056","CuKα","","","","","","","","","7.341","2.0615","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511965","11.9504","0.0003","5.3453","0.0002","9.5314","0.0003","90","","90","","90","","608.85","0.03","290","","290","","","","","","","","","4","P n a 21","P 2c -2n","33","Creatine anhydrate form C","","","- C4 H9 N3 O2 -","- C4 H9 N3 O2 -","- C16 H36 N12 O8 -","4","1","","Braun, Doris E.; Orlova, Maria; Griesser, Ulrich J.","Creatine: Polymorphs Predicted and Found","Crystal Growth & Design","2014","14","10","4895","","10.1021/cg501159c","powder diffraction","","1.54056","CuKα","","","","","","","","","4.1","2.01","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511966","8.0457","0.0019","10.061","0.002","12.783","0.003","81.511","0.004","89.548","0.004","74.687","0.004","986.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Ag2 N10 O5 -","- C16 H18 Ag2 N10 O5 -","- C32 H36 Ag4 N20 O10 -","2","1","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.0458","0.035","","","0.0817","0.0875","","","","","","1.046","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511967","7.049","0.002","12.588","0.004","13.896","0.004","67.248","0.004","78.509","0.005","88.131","0.006","1112.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cl2 Cu2 N20 O14 -","- C32 H34 Cl2 Cu2 N20 O14 -","- C32 H34 Cl2 Cu2 N20 O14 -","1","0.5","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.1325","0.0666","","","0.1447","0.171","","","","","","0.976","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511968","12.8","0.005","8.333","0.005","14.046","0.005","90","0.005","113.164","0.005","90","0.005","1377.4","1.1","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H26 Cl2 Cu N10 O14 -","- C18 H26 Cl2 Cu N10 O14 -","- C36 H52 Cl4 Cu2 N20 O28 -","2","0.5","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71069","MoKα","","0.103","0.0765","","","0.1983","0.2198","","","","","","1.049","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511969","7.1207","0.001","13.2355","0.0019","14.725","0.002","98.846","0.003","101.901","0.003","94.406","0.002","1333.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Co N10 O6 -","- C16 H20 Co N10 O6 -","- C32 H40 Co2 N20 O12 -","2","1","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.0756","0.0612","","","0.166","0.1773","","","","","","1.044","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511970","8.6628","0.0013","21.603","0.003","7.5795","0.0011","90","","100.174","0.003","90","","1396.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 Co N12 O16 -","- C16 H30 Co N12 O16 -","- C32 H60 Co2 N24 O32 -","2","0.5","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.1076","0.0954","","","0.2073","0.2148","","","","","","1.104","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511971","7.2795","0.0018","9.856","0.003","10.962","0.003","82.736","0.004","81.059","0.004","78.575","0.004","757.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 Cd Cl2 N6 O6 -","- C8 H12 Cd Cl2 N6 O6 -","- C16 H24 Cd2 Cl4 N12 O12 -","2","1","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.0457","0.0432","","","0.1248","0.1287","","","","","","1.117","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511972","9.772","0.005","11.071","0.005","12.865","0.005","106.417","0.005","90.094","0.005","90.033","0.005","1335.1","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Cd2 N12 O14 -","- C16 H24 Cd2 N12 O14 -","- C32 H48 Cd4 N24 O28 -","2","1","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71069","MoKα","","0.0528","0.0468","","","0.1344","0.1408","","","","","","1.105","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511973","12.8331","0.0019","15.626","0.002","7.545","0.0011","90","","93.225","0.003","90","","1510.6","0.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H8 Cd N5 O4 -","- C8 H8 Cd N5 O4 -","- C32 H32 Cd4 N20 O16 -","4","1","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.0951","0.0834","","","0.2496","0.2597","","","","","","1.023","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511974","38.1861","0.0011","5.00418","0.0001","8.381","0.0002","90","","102.535","0.003","90","","1563.35","0.07","295","","295","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C9 H6 Al2 O10 P3 -","- C9 H6 Al2 O10 P3 -","- C36 H24 Al8 O40 P12 -","4","0.5","","Kinnibrugh, Tiffany L.; Bakhmutov, Vladimir I.; Clearfield, Abraham","Reversible Dehydration Behavior Reveals Coordinatively Unsaturated Metal Sites in Microporous Aluminum Phosphonates","Crystal Growth & Design","2014","14","10","4976","","10.1021/cg5005215","powder diffraction","x-ray","0.42463","synchrotron","","10.74","","","","","","","","1.74","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511975","9.87808","0.0001","8.76433","0.0001","10.10872","0.0001","90","","105.536","0.001","90","","843.185","0.016","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Al O6 P2 -","- C6 H5 Al O6 P2 -","- C24 H20 Al4 O24 P8 -","4","1","","Kinnibrugh, Tiffany L.; Bakhmutov, Vladimir I.; Clearfield, Abraham","Reversible Dehydration Behavior Reveals Coordinatively Unsaturated Metal Sites in Microporous Aluminum Phosphonates","Crystal Growth & Design","2014","14","10","4976","","10.1021/cg5005215","powder diffraction","x-ray","0.41241","synchrotron","","3.86","","","","","","","","1.36","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511976","8.5943","0.0003","4.9706","0.00014","19.5499","0.0006","98.87","0.004","105.933","0.0019","89.598","0.003","792.91","0.04","453","","453","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Al2 O9 P3 -","- C9 H6 Al2 O9 P3 -","- C18 H12 Al4 O18 P6 -","2","1","","Kinnibrugh, Tiffany L.; Bakhmutov, Vladimir I.; Clearfield, Abraham","Reversible Dehydration Behavior Reveals Coordinatively Unsaturated Metal Sites in Microporous Aluminum Phosphonates","Crystal Growth & Design","2014","14","10","4976","","10.1021/cg5005215","powder diffraction","x-ray","0.41397","synchrotron","","3.28","","","","","","","","1.52","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511977","10.05306","0.00004","9.22355","0.00004","10.09498","0.00004","90","","104.776","0.0003","90","","905.101","0.007","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Al O7 P2 -","- C6 H6.9957 Al O7 P2 -","- C24 H27.9828 Al4 O28 P8 -","4","1","","Kinnibrugh, Tiffany L.; Bakhmutov, Vladimir I.; Clearfield, Abraham","Reversible Dehydration Behavior Reveals Coordinatively Unsaturated Metal Sites in Microporous Aluminum Phosphonates","Crystal Growth & Design","2014","14","10","4976","","10.1021/cg5005215","powder diffraction","x-ray","0.41398","synchrotron","","4.19","","","","","","","","1.5","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511978","18.0562","0.0008","14.0451","0.0007","22.0832","0.0009","90","","113.61","0.002","90","","5131.5","0.4","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H74 O P4 Pd2 S4 -","- C46 H74 O P4 Pd2 S4 -","- C184 H296 O4 P16 Pd8 S16 -","4","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2014","4","10","3605","","10.1021/cs5010322","","x-ray","0.71073","MoKα","","0.0462","0.0335","","","0.104","0.1294","","","","","","1.102","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511979","10.2156","0.0003","16.2747","0.0005","26.6821","0.0008","91.603","0.001","90.239","0.002","103.725","0.001","4307.4","0.2","193","2","193","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C75 H138 Cl4 N2 P4 Pd2 S4 -","- C75 H138 Cl4 N2 P4 Pd2 S4 -","- C150 H276 Cl8 N4 P8 Pd4 S8 -","2","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2014","4","10","3605","","10.1021/cs5010322","","x-ray","0.71073","MoKα","","0.0394","0.031","","","0.0703","0.0752","","","","","","1.061","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511980","10.209","0.0002","11.5382","0.0002","15.259","0.0011","72.37","0.005","89.09","0.006","66.272","0.005","1556.57","0.15","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O6 -","- C18 H16 O6 -","- C72 H64 O24 -","4","2","","Mbofana, Curren T.; Miller, Scott J.","Phosphine-Catalyzed Annulation Reactions of 2-Butynoate and α-Keto Esters: Synthesis of Cyclopentene Derivatives","ACS Catalysis","2014","4","10","3671","","10.1021/cs501117h","","","1.54187","CuKα","","0.041","0.0377","","","0.0991","0.1027","","","","","","1.075","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511981","28.09047","0.00002","6.946607","0.000007","12.030411","0.000012","90","","115.236","0.00006","90","","2123.49","0.004","298","","298","","","","","","","","","3","C 1 2 1","C 2y","5","hydrated rhabdophane","","","- O4.667 P Sm -","- O4.66667 P Sm -","- O112 P24 Sm24 -","24","6","","Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Gausse, Clémence; Kacem, Ilyes Ben; Szenknect, Stephanie; Dacheux, Nicolas","Monoclinic Form of the Rhabdophane Compounds: REEPO4·0.667H2O","Crystal Growth & Design","2014","14","10","5090","","10.1021/cg500707b","powder diffraction","","0.6967","synchrotron","","","","","","","","","4.1155","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511982","12.14431","0.00009","7.01776","0.00007","6.34756","0.00015","90","","90.028","0.003","90","","540.976","0.014","573","","573","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- O4 P Sm -","- O4 P Sm -","- O24 P6 Sm6 -","6","1.5","","Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Gausse, Clémence; Kacem, Ilyes Ben; Szenknect, Stephanie; Dacheux, Nicolas","Monoclinic Form of the Rhabdophane Compounds: REEPO4·0.667H2O","Crystal Growth & Design","2014","14","10","5090","","10.1021/cg500707b","powder diffraction","","1.54056","'CuKα","","","","","","","","","11.6193","","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511983","12.7463","0.0005","15.5086","0.0007","13.5727","0.0006","90","","109.429","0.001","90","","2530.23","0.19","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H60 F3 O4 P4 Rh S -","- C59 H60 F3 O4 P4 Rh S -","- C118 H120 F6 O8 P8 Rh2 S2 -","2","0.5","","Bays, John Timothy; Priyadarshani, Nilusha; Jeletic, Matthew S.; Hulley, Elliot B.; Miller, Deanna L.; Linehan, John C.; Shaw, Wendy J.","The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts","ACS Catalysis","2014","","","140903144432009","","10.1021/cs5009199","","","0.71073","MoKα","","0.0396","0.0287","","","0.065","0.0696","","","","","","1.03","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511984","12.4663","0.0014","47.636","0.005","42.394","0.005","90","","91.499","0.004","90","","25167","5","140","2","140.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H70.875 F3 N2 O9.125 P4 Rh S -","- C65.5 H71.0001 F3 N2 O9.125 P4 Rh S -","- C1048 H1136 F48 N32 O146 P64 Rh16 S16 -","16","4","","Bays, John Timothy; Priyadarshani, Nilusha; Jeletic, Matthew S.; Hulley, Elliot B.; Miller, Deanna L.; Linehan, John C.; Shaw, Wendy J.","The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts","ACS Catalysis","2014","","","140903144432009","","10.1021/cs5009199","","","0.71073","MoKα","","0.0966","0.0598","","","0.1118","0.1237","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511985","11.1175","0.001","13.2349","0.0011","18.044","0.0016","93.743","0.004","95.848","0.005","109.218","0.004","2480.1","0.4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","Rh(PNMeP)(OTf)2","","- C55 H54 F3 N2 O3 P4 Rh S -","- C55 H54 F3 N2 O3 P4 Rh S -","- C110 H108 F6 N4 O6 P8 Rh2 S2 -","2","1","","Bays, John Timothy; Priyadarshani, Nilusha; Jeletic, Matthew S.; Hulley, Elliot B.; Miller, Deanna L.; Linehan, John C.; Shaw, Wendy J.","The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts","ACS Catalysis","2014","","","140903144432009","","10.1021/cs5009199","","","0.71073","MoKα","","0.0643","0.0384","","","0.0771","0.0851","","","","","","1.023","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511986","9.6293","0.0004","10.586","0.0004","18.162","0.0007","79.251","0.003","74.914","0.003","80.515","0.003","1742.95","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H43 N7 O13 -","- C32 H43 N7 O13 -","- C64 H86 N14 O26 -","2","1","","Dąbrowa, Kajetan; Ceborska, Magdalena; Jurczak, Janusz","Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment","Crystal Growth & Design","2014","14","10","4906","","10.1021/cg501314m","","","0.71073","MoKα","","0.078","0.0457","","","0.1047","0.1154","","","","","","1.041","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511987","9.8071","0.0012","10.691","0.002","18.124","0.002","79.07","0.014","74.952","0.011","80.468","0.013","1788.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H43 N7 O13 -","- C32 H43 N7 O13 -","- C64 H86 N14 O26 -","2","1","","Dąbrowa, Kajetan; Ceborska, Magdalena; Jurczak, Janusz","Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment","Crystal Growth & Design","2014","14","10","4906","","10.1021/cg501314m","","","1.54184","CuKα","","0.0989","0.0648","","","0.1794","0.2355","","","","","","1.139","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511988","16.55","0.0005","9.215","0.0003","25.111","0.0008","90","","121.388","0.002","90","","3269.21","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 N7 O10 -","- C32 H37 N7 O10 -","- C128 H148 N28 O40 -","4","1","","Dąbrowa, Kajetan; Ceborska, Magdalena; Jurczak, Janusz","Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment","Crystal Growth & Design","2014","14","10","4906","","10.1021/cg501314m","","","0.71073","MoKα","","0.1276","0.0784","","","0.1533","0.1713","","","","","","1.063","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511989","8.857","0.0015","31.574","0.005","16.097","0.003","90","","92.152","0.005","90","","4498.4","1.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 N6 Ni O4 -","- C41 H28 N6 Ni O4 -","- C164 H112 N24 Ni4 O16 -","4","1","","Chen, Qiang; Jia, Yan-Yuan; Chang, Ze; Wang, Ting-Ting; Zhou, Bo-Yu; Feng, Rui; Bu, Xian-He","Pillared Metal‒Organic Frameworks Based on 63Layers: Structure Modulation and Sorption Properties","Crystal Growth & Design","2014","14","10","5189","","10.1021/cg500975j","","","0.71073","MoKα","","0.0623","0.0466","","","0.1011","0.1073","","","","","","0.992","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511990","9.0061","0.0014","31.498","0.005","15.78","0.002","90","","90.584","0.004","90","","4476.1","1.1","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 N8 Ni O5 -","- C44 H34 N8 Ni O5 -","- C176 H136 N32 Ni4 O20 -","4","1","","Chen, Qiang; Jia, Yan-Yuan; Chang, Ze; Wang, Ting-Ting; Zhou, Bo-Yu; Feng, Rui; Bu, Xian-He","Pillared Metal‒Organic Frameworks Based on 63Layers: Structure Modulation and Sorption Properties","Crystal Growth & Design","2014","14","10","5189","","10.1021/cg500975j","","","0.71073","MoKα","","0.075","0.0651","","","0.1716","0.1792","","","","","","1.031","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511991","14.614","0.003","32.604","0.007","9.103","0.0018","90","","104.61","0.03","90","","4197.1","1.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H39 Co N7 O6 -","- C50 H39 Co N7 O6 -","- C200 H156 Co4 N28 O24 -","4","1","","Chen, Qiang; Jia, Yan-Yuan; Chang, Ze; Wang, Ting-Ting; Zhou, Bo-Yu; Feng, Rui; Bu, Xian-He","Pillared Metal‒Organic Frameworks Based on 63Layers: Structure Modulation and Sorption Properties","Crystal Growth & Design","2014","14","10","5189","","10.1021/cg500975j","","","0.71073","MoKα","","0.083","0.0604","","","0.1464","0.1627","","","","","","1.112","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511992","14.867","0.003","32.323","0.006","9.1792","0.0018","90","","104.26","0.03","90","","4275.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H39 Co N7 O6 -","- C50 H39 Co N7 O6 -","- C200 H156 Co4 N28 O24 -","4","1","","Chen, Qiang; Jia, Yan-Yuan; Chang, Ze; Wang, Ting-Ting; Zhou, Bo-Yu; Feng, Rui; Bu, Xian-He","Pillared Metal‒Organic Frameworks Based on 63Layers: Structure Modulation and Sorption Properties","Crystal Growth & Design","2014","14","10","5189","","10.1021/cg500975j","","","0.71073","MoKα","","0.3037","0.133","","","0.1857","0.2416","","","","","","1.07","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511993","7.704","0.001","12.545","0.002","15.068","0.003","90","","90","","90","","1456.3","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 Cl2 F5 O S -","- C13 H5 Cl2 F5 O S -","- C52 H20 Cl8 F20 O4 S4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Cardellicchio, Cosimo","Structural Motifs in Enantiopure Halogenated Aryl Benzyl Sulfoxides: Effect of Fluorine Substitution","Crystal Growth & Design","2014","14","11","5442","","10.1021/cg5006117","","","0.71073","MoKα","","0.1144","0.0633","","","0.1873","0.2628","","","","","","1.041","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511994","7.72","0.0005","12.5368","0.0009","15.0423","0.0006","90","","90","","90","","1455.86","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 Cl2 F5 O S -","- C13 H5 Cl2 F5 O S -","- C52 H20 Cl8 F20 O4 S4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Cardellicchio, Cosimo","Structural Motifs in Enantiopure Halogenated Aryl Benzyl Sulfoxides: Effect of Fluorine Substitution","Crystal Growth & Design","2014","14","11","5442","","10.1021/cg5006117","","","0.71073","MoKα","","0.0691","0.0418","","","0.0894","0.1006","","","","","","1.064","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511995","8.8946","0.0019","9.599","0.002","14.595","0.003","105.46","0.006","94.446","0.006","114.78","0.006","1064.6","0.4","143","","143.15","","","","","","","","","5","P -1","-P 1","2","","[VerkadesH][HCO3]","","- C16 H39 N4 O5 P -","- C16 H39 N4 O5 P -","- C32 H78 N8 O10 P2 -","2","1","","Jeletic, Matthew S.; Helm, Monte L.; Hulley, Elliott B.; Mock, Michael T.; Appel, Aaron M.; Linehan, John C.","A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation","ACS Catalysis","2014","4","10","3755","","10.1021/cs5009927","","","0.71073","MoKα","","0.1368","0.0684","","","0.1579","0.1909","","","","","","1.033","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511996","9.492","0.0008","10.0652","0.0009","11.6878","0.001","72.135","0.002","84.493","0.003","64.509","0.002","958.49","0.14","145","","145","","","","","","","","","5","P -1","-P 1","2","","[VerkaedeH][Formate)","","- C16 H35 N4 O2 P -","- C16 H35 N4 O2 P -","- C32 H70 N8 O4 P2 -","2","1","","Jeletic, Matthew S.; Helm, Monte L.; Hulley, Elliott B.; Mock, Michael T.; Appel, Aaron M.; Linehan, John C.","A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation","ACS Catalysis","2014","4","10","3755","","10.1021/cs5009927","","","0.71073","MoKα","","0.065","0.0448","","","0.1109","0.1222","","","","","","1.021","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511997","7.3551","0.0002","8.0853","0.0003","8.6347","0.0003","86.985","0.003","77.629","0.003","84.01","0.003","498.59","0.03","286.8","0.1","286.8","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Br6 N6 Re -","- C12 H12 Br6 N6 Re -","- C12 H12 Br6 N6 Re -","1","0.5","","Martínez-Lillo, José; Kong, John; Julve, Miguel; Brechin, Euan K.","Self-Assembly of the Hexabromorhenate(IV) Anion with Protonated Benzotriazoles: X-ray Structure and Magnetic Properties","Crystal Growth & Design","2014","14","11","5985","","10.1021/cg5011693","","","0.71073","MoKα","","0.0252","0.0217","","","0.0455","0.0471","","","","","","1.027","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511998","8.1914","0.0003","8.8446","0.0003","9.7565","0.0003","69.846","0.003","71.273","0.003","82.038","0.003","628.13","0.04","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Br6 N6 O2 Re -","- C16 H20 Br6 N6 O2 Re -","- C16 H20 Br6 N6 O2 Re -","1","0.5","","Martínez-Lillo, José; Kong, John; Julve, Miguel; Brechin, Euan K.","Self-Assembly of the Hexabromorhenate(IV) Anion with Protonated Benzotriazoles: X-ray Structure and Magnetic Properties","Crystal Growth & Design","2014","14","11","5985","","10.1021/cg5011693","","","0.71073","MoKα","","0.0255","0.0229","","","0.05","0.051","","","","","","1.064","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511999","21.6989","0.0003","22.0322","0.0005","23.5087","0.0004","105.718","0.002","103.213","0.001","115.237","0.002","8989.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C292 H346 Co24 N16 Na2 O76 P6 S24 -","- C292 H340 Co24 N16 Na2 O76 P6 S24 -","- C292 H340 Co24 N16 Na2 O76 P6 S24 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; AL-Thabaiti, Shaeel A.; Bawaked, Salem M.; Mokhtar, Mohamed; Chen, Qihui; Hong, Maochun","Alkali-Metal-Templated Assembly of Two High-Nuclearity Cobalt Clusters Based on Thiacalix[4]arene","Crystal Growth & Design","2014","14","11","5865","","10.1021/cg5010903","","","1.54184","CuKα","","0.0668","0.0508","","","0.1313","0.1383","","","","","","1.081","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4512000","22.8996","0.0004","24.2213","0.0003","34.991","0.0005","78.65","0.001","75.733","0.001","70.783","0.001","17618.9","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C550 H608 Cl4 Co48 K2 N16 O144 P12 S48 -","- C550 H584 Cl4 Co48 K2 N16 O144 P12 S48 -","- C550 H584 Cl4 Co48 K2 N16 O144 P12 S48 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; AL-Thabaiti, Shaeel A.; Bawaked, Salem M.; Mokhtar, Mohamed; Chen, Qihui; Hong, Maochun","Alkali-Metal-Templated Assembly of Two High-Nuclearity Cobalt Clusters Based on Thiacalix[4]arene","Crystal Growth & Design","2014","14","11","5865","","10.1021/cg5010903","","","1.54184","CuKα","","0.1397","0.0866","","","0.218","0.2456","","","","","","0.983","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512001","10.9319","0.0002","11.3535","0.0003","11.1954","0.0002","90","","105.205","0.0013","90","","1340.88","0.05","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H30 Br2 N4 O4 -","- C28 H30 Br2 N4 O4 -","- C56 H60 Br4 N8 O8 -","2","1","","Ravat, Prince; Borozdina, Yulia; Ito, Yoshikazu; Enkelmann, Volker; Baumgarten, Martin","Crystal Engineering of Tolane Bridged Nitronyl Nitroxide Biradicals: Candidates for Quantum Magnets","Crystal Growth & Design","2014","14","11","5840","","10.1021/cg5010787","","","0.71073","MoKα","","0.0518","0.0443","","0.0536","0.0531","0.0531","","","","","","1.0883","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4512002","10.1201","0.0003","9.7143","0.0002","14.6298","0.0005","90","","105.342","0.0012","90","","1387","0.07","120","","120","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C29 H33 N5 O5 -","- C29 H33 N5 O5 -","- C58 H66 N10 O10 -","2","1","","Ravat, Prince; Borozdina, Yulia; Ito, Yoshikazu; Enkelmann, Volker; Baumgarten, Martin","Crystal Engineering of Tolane Bridged Nitronyl Nitroxide Biradicals: Candidates for Quantum Magnets","Crystal Growth & Design","2014","14","11","5840","","10.1021/cg5010787","","","0.71073","MoKα","","0.0782","0.0617","","1.0338","0.0646","0.0646","","","","","","0.7509","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512003","28.762","0.001","28.762","0.001","13.444","0.0005","90","","90","","90","","11121.6","0.7","120","","120","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C29 H33 Br N4 O5 -","- C29 H33 Br N4 O5 -","- C464 H528 Br16 N64 O80 -","16","1","","Ravat, Prince; Borozdina, Yulia; Ito, Yoshikazu; Enkelmann, Volker; Baumgarten, Martin","Crystal Engineering of Tolane Bridged Nitronyl Nitroxide Biradicals: Candidates for Quantum Magnets","Crystal Growth & Design","2014","14","11","5840","","10.1021/cg5010787","","","0.71073","MoKα","","0.075","0.0587","","0.1872","0.0666","0.0666","","","","","","0.984","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512004","13.704","0.003","17.106","0.004","19.923","0.005","77.007","0.004","84.696","0.005","64.123","0.004","4094.4","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H78 Fe O18 P3 -","- C90 H78 Fe O18 P3 -","- C180 H156 Fe2 O36 P6 -","2","1","","Atzori, Matteo; Marchiò, Luciano; Clérac, Rodolphe; Serpe, Angela; Deplano, Paola; Avarvari, Narcis; Mercuri, Maria Laura","Hydrogen-Bonded Supramolecular Architectures Based on Tris(Hydranilato)Metallate(III) (M = Fe, Cr) Metallotectons","Crystal Growth & Design","2014","14","11","5938","","10.1021/cg501143z","","","0.71073","MoKα","","0.1438","0.0606","","","0.1064","0.1241","","","","","","1.01","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512005","6.9435","0.0008","7.5192","0.0007","11.5084","0.0014","86.793","0.009","80.123","0.01","70.172","0.009","556.85","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N2 O3 S -","- C10 H12 N2 O3 S -","- C20 H24 N4 O6 S2 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Chelazzi, Laura; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano L.; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Bentazon: Effect of Additives on the Crystallization of Pure and Mixed Polymorphic Forms of a Commercial Herbicide","Crystal Growth & Design","2014","14","11","5729","","10.1021/cg500980j","","","0.71073","MoKα","","0.087","0.0609","","","0.1511","0.1702","","","","","","1.021","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512006","8.773","0.003","9.582","0.002","13.599","0.003","90","","97.269","0.019","90","","1134","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O3 S -","- C10 H12 N2 O3 S -","- C40 H48 N8 O12 S4 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Chelazzi, Laura; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano L.; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Bentazon: Effect of Additives on the Crystallization of Pure and Mixed Polymorphic Forms of a Commercial Herbicide","Crystal Growth & Design","2014","14","11","5729","","10.1021/cg500980j","","","0.71073","MoKα","","0.258","0.1125","","","0.1199","0.1587","","","","","","1.066","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512007","12.366","0.002","13.439","0.003","26.969","0.005","90","","95.463","0.003","90","","4461.5","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H37.5 N5 O15 Zn3 -","- C36 H36.91 N5 O15 Zn3 -","- C144 H147.64 N20 O60 Zn12 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.1098","0.0946","","","0.263","0.2772","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512008","32.407","0.006","9.575","0.0018","12.193","0.002","90","","90","","90","","3783.5","1.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H38 N2 O12 Zn2 -","- C38 H38 N2 O12 Zn2 -","- C152 H152 N8 O48 Zn8 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0736","0.0476","","","0.0963","0.11","","","","","","1.085","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512009","26.656","0.015","24.838","0.014","10.191","0.006","90","","110.667","0.007","90","","6313","6","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C75 H71 N19 O27 Zn6 -","- C74 H70 N19 O23 Zn6 -","- C148 H140 N38 O46 Zn12 -","2","0.25","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.1162","0.0993","","","0.2622","0.272","","","","","","1.166","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512010","9.488","0.006","12.562","0.009","15.477","0.01","90","","106.099","0.01","90","","1772","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O6 Zn -","- C17 H23 N O6 Zn -","- C68 H92 N4 O24 Zn4 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0762","0.0494","","","0.1119","0.1265","","","","","","1.037","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512011","33.843","0.012","9.954","0.003","35.817","0.012","90","","106.562","0.005","90","","11565","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H41 N2 O20 Zn4 -","- C48 H41 N2 O20 Zn4 -","- C384 H328 N16 O160 Zn32 -","8","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.1481","0.1172","","","0.254","0.2697","","","","","","1.181","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512012","9.4299","0.0013","16.49","0.002","11.2803","0.0015","90","","97.731","0.002","90","","1738.1","0.4","100","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O7 Zn -","- C14 H18 N2 O7 Zn -","- C56 H72 N8 O28 Zn4 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.037","0.0279","","","0.066","0.0698","","","","","","1.046","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512013","7.791","0.003","8.989","0.004","9.16","0.004","116.446","0.005","104.488","0.005","98.089","0.005","532.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 N O6 Zn -","- C10 H9 N O6 Zn -","- C20 H18 N2 O12 Zn2 -","2","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0344","0.0288","","","0.0699","0.0729","","","","","","1.046","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512014","23.31","0.02","18.952","0.018","26.57","0.02","90","","94.757","0.014","90","","11697","17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H134 N10 O39 Zn5 -","- C96 H134 N10 O39 Zn5 -","- C384 H536 N40 O156 Zn20 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.1391","0.0795","","","0.1848","0.2231","","","","","","1.015","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512015","10.284","0.005","35","0.018","25.542","0.013","90","","97.98","0.009","90","","9105","8","100","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H71 N5 O35 Zn8 -","- C71 N5 O39 Zn8 -","- C284 N20 O156 Zn32 -","4","0.5","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0877","0.0661","","","0.1871","0.2073","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512016","9.2987","0.0014","16.67","0.002","11.4189","0.0017","90","","108.481","0.003","90","","1678.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O6 Zn -","- C17 H18 N2 O6 Zn -","- C68 H72 N8 O24 Zn4 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0819","0.0501","","","0.1146","0.1337","","","","","","1.026","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512017","8.333","0.003","9.78","0.004","10.67","0.004","67.335","0.005","68.389","0.005","68.702","0.005","720.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 N4 O7 Zn -","- C10 H16 N4 O7 Zn -","- C20 H32 N8 O14 Zn2 -","2","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0289","0.0244","","","0.0564","0.0585","","","","","","1.052","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512018","9.509","0.003","15.18","0.004","12.246","0.003","90","","93.835","0.004","90","","1763.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.25 H17.75 N1.25 O6.25 Zn -","- C14.25 H17.75 N1.25 O6.25 Zn -","- C57 H71 N5 O25 Zn4 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0573","0.0407","","","0.1011","0.1098","","","","","","1.048","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512019","9.46","0.016","15.98","0.03","11.574","0.02","90","","93.89","0.02","90","","1746","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O6 Zn -","- C15 H19 N O6 Zn -","- C60 H76 N4 O24 Zn4 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.1314","0.0761","","","0.1737","0.2016","","","","","","1.016","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512020","7.3931","0.0008","7.5175","0.001","15.0471","0.0016","82.133","0.01","77.444","0.009","73.205","0.01","779","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Isoniazid-Ferulic acid","Isonicotinohydrazide-(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C32 H34 N6 O10 -","2","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.0501","0.0376","","","0.0923","0.1009","","","","","","1.02","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512021","7.3139","0.0005","7.4461","0.0006","14.2942","0.0009","101.678","0.006","91.124","0.005","109.433","0.007","715.72","0.1","293","2","298","2","","","","","","","","4","P -1","-P 1","2","Isoniazid-Vanillic acid","Isonicotinohydrazide-4-Hydroxy-3-methoxybenzoic acid","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C28 H30 N6 O10 -","2","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.0499","0.04","","","0.1077","0.1173","","","","","","1.042","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512022","7.247","0.0012","20.694","0.004","9.6836","0.0016","90","","100.974","0.003","90","","1425.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isoniazid-Caffeic acid","Isonicotinohydrazide-3-(3,4-Dihydroxyphenyl)-2-propenoic acid","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C60 H60 N12 O20 -","4","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.0736","0.0507","","","0.1069","0.1172","","","","","","1.041","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512023","25.379","0.003","4.9943","0.0006","22.281","0.003","90","","91.741","0.012","90","","2822.8","0.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Isoniazid-Vanillic acid","Isonicotinohydrazide-4-Hydroxy-3-methoxybenzoic acid","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C112 H120 N24 O40 -","8","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.1938","0.0624","","","0.0687","0.1108","","","","","","0.896","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512024","5.0623","0.0005","16.119","0.002","14.6266","0.0015","90","","96.618","0.01","90","","1185.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isoniazid-Resorcinol","Isonicotinohydrazide-Benzene-1,3-diol","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C48 H52 N12 O12 -","4","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.099","0.0535","","","0.0957","0.1184","","","","","","1.015","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512025","7.4051","0.0016","9.733","0.002","10.384","0.002","74.183","0.003","84.064","0.004","78.944","0.003","705.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Isoniazid-Caffeic acid","Isonicotinohydrazide-3-(3,4-Dihydroxyphenyl)-2-propenoic acid","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C30 H30 N6 O10 -","2","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.0543","0.0446","","","0.1168","0.1236","","","","","","1.072","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512026","6.745","0.0002","33.3782","0.0009","33.0577","0.0011","90","","90","","90","","7442.5","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","3,6-bis(N,N-dianisylamino)-fluoren-9-ylidene malononitrile","3,6-bis-(N,N-di-(4-methoxyphenyl)amino)-fluoren-9-ylidene malononitrile","","- C44 H34 N4 O4 -","- C44 H34 N4 O4 -","- C352 H272 N32 O32 -","8","2","","Karak, Supravat; Homnick, Paul J.; Renna, Lawrence A.; Venkataraman, D.; Mague, Joel T.; Lahti, Paul M.","Solution-Processed Photovoltaics with a 3,6-Bis(diarylamino)fluoren-9-ylidene Malononitrile.","ACS applied materials & interfaces","2014","6","19","16476","16480","10.1021/am504993j","","","1.54178","CuKα","","0.1541","0.1149","","","0.2794","0.307","","","","","","1.049","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512027","6.3856","0.0005","6.6445","0.0005","10.5589","0.0008","90","","91.304","0.007","90","","447.89","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 N2 O4 S -","- C6 H8 N2 O4 S -","- C12 H16 N4 O8 S2 -","2","1","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0694","0.0645","","","0.2109","0.2173","","","","","","1.645","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512028","4.95459","0.00019","7.5581","0.0003","17.8016","0.0006","92.253","0.003","90.649","0.003","109.029","0.004","629.5","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H32 N4 O10 S2 -","- C18 H32 N4 O10 S2 -","- C18 H32 N4 O10 S2 -","1","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0543","0.0526","","","0.1553","0.1583","","","","","","0.991","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512029","9.029","0.0003","5.75526","0.00018","18.2666","0.0005","90","","98.566","0.003","90","","938.62","0.05","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N4 O4 S2 -","- C14 H22 N4 O4 S2 -","- C28 H44 N8 O8 S4 -","2","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0537","0.0494","","","0.1547","0.1621","","","","","","1.201","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512030","8.4023","0.0006","7.5547","0.0005","17.3163","0.0012","90","","103.335","0.002","90","","1069.55","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N4 O4 S2 -","- C16 H26 N4 O4 S2 -","- C32 H52 N8 O8 S4 -","2","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","0.71073","MoKα","","0.0582","0.0478","","","0.1174","0.1331","","","","","","1.136","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512031","5.28","0.0002","22.5958","0.0011","8.6882","0.0004","90","","97.883","0.004","90","","1026.76","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N4 O4 S2 -","- C16 H26 N4 O4 S2 -","- C32 H52 N8 O8 S4 -","2","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0634","0.0546","","","0.1828","0.2056","","","","","","0.84","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512032","8.702","0.006","7.721","0.005","17.891","0.013","90","","95.326","0.014","90","","1196.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N4 O4 S2 -","- C18 H30 N4 O4 S2 -","- C36 H60 N8 O8 S4 -","2","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","0.71073","MoKα","","0.0687","0.0424","","","0.1167","0.1385","","","","","","0.902","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512033","4.16465","0.00011","22.558","0.0006","10.8698","0.0003","90","","93.487","0.002","90","","1019.29","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O4 S -","- C8 H10 N2 O4 S -","- C32 H40 N8 O16 S4 -","4","1","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0488","0.0473","","","0.1684","0.1706","","","","","","1.493","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512034","20.921","0.006","9.511","0.003","10.886","0.003","90","","103.274","0.004","90","","2108.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 N4 O8 S2 -","- C16 H24 N4 O8 S2 -","- C64 H96 N16 O32 S8 -","4","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","0.71073","MoKα","","0.0607","0.054","","","0.1581","0.1652","","","","","","1.284","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512035","12.8","0.017","4.945","0.007","27.64","0.04","90","","94.73","0.019","90","","1744","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N2 O4 S -","- C14 H24 N2 O4 S -","- C56 H96 N8 O16 S4 -","4","1","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","0.71073","MoKα","","0.1997","0.0756","","","0.1981","0.2812","","","","","","0.986","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512036","11.3596","0.0003","14.6265","0.0007","13.1548","0.0004","90","","91.993","0.003","90","","2184.36","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 N4 O4 S2 -","- C18 H30 N4 O4 S2 -","- C72 H120 N16 O16 S8 -","4","1","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0838","0.0722","","","0.2265","0.2412","","","","","","1.622","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512037","7.8169","0.0004","7.8365","0.0006","11.4009","0.0008","73.31","0.006","82.018","0.005","65.685","0.006","609.46","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 N4 O4 S2 -","- C20 H34 N4 O4 S2 -","- C20 H34 N4 O4 S2 -","1","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0488","0.0459","","","0.1558","0.1692","","","","","","0.761","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512038","16.774","0.005","16.774","0.005","13.913","0.005","90","0.005","90","0.005","120","0.005","3390.2","1.9","100","2","100","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C63 H39 B F4 N12 Ni2 O6 -","- C63 H39 B0.99 F3.96 N12 Ni2 O6 -","- C126 H78 B1.98 F7.92 N24 Ni4 O12 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.1131","0.1014","","","0.2991","0.3167","","","","","","1.357","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512039","16.802","0.005","16.802","0.005","13.96","0.005","90","0.005","90","0.005","120","0.005","3413","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl N12 Ni2 O10 -","- C63 H39 Cl0.99 N12 Ni2 O9.96 -","- C126 H78 Cl1.98 N24 Ni4 O19.92 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71069","MoKα","","0.0616","0.0534","","","0.1449","0.1524","","","","","","1.095","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512040","16.87","0.005","16.87","0.005","13.886","0.005","90","0.005","90","0.005","120","0.005","3422.5","1.9","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C63 H39 N13 Ni2 O9 -","- C63 H39 N13 Ni2 O9 -","- C126 H78 N26 Ni4 O18 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.0791","0.0701","","","0.2062","0.2148","","","","","","1.092","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512041","16.946","0.005","16.946","0.005","13.838","0.005","90","0.005","90","0.005","120","0.005","3441.4","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl N12 Ni2 O6 -","- C63 H39 Cl N12 Ni2 O6 -","- C126 H78 Cl2 N24 Ni4 O12 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.05","0.0408","","","0.1029","0.1086","","","","","","1.101","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512042","16.901","0.005","16.901","0.005","14.082","0.005","90","0.005","90","0.005","120","0.005","3483.5","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Co2 N12 O10 -","- C63 H39 Cl0.99 Co2 N12 O9.96 -","- C126 H78 Cl1.98 Co4 N24 O19.92 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.132","0.0874","","","0.1814","0.2035","","","","","","1.112","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512043","17.03","0.005","17.03","0.005","13.908","0.005","90","0.005","90","0.005","120","0.005","3493.2","1.9","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Co2 N13 O9 -","- C63 H39 Co2 N13 O9 -","- C126 H78 Co4 N26 O18 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.096","0.0752","","","0.2278","0.2448","","","","","","1.096","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512044","17.088","0.005","17.088","0.005","13.892","0.005","90","0.005","90","0.005","120","0.005","3513","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Co2 N12 O6 -","- C63 H39 Cl Co2 N12 O6 -","- C126 H78 Cl2 Co4 N24 O12 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.0669","0.0547","","","0.1348","0.1413","","","","","","1.093","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512045","17.033","0.005","17.033","0.005","13.928","0.005","90","0.005","90","0.005","120","0.005","3499.5","1.9","100","2","100","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C63 H39 Cl Co2 N12 O6 -","- C63 H39 Cl Co2 N12 O6 -","- C126 H78 Cl2 Co4 N24 O12 -","2","0.333333","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.083","0.0586","","","0.1396","0.1528","","","","","","1.024","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512046","16.975","0.005","16.975","0.005","13.917","0.005","90","0.005","90","0.005","120","0.005","3472.9","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C72 H57 Cl Co2 N12 O16 -","- C72 H57 Cl Co2 N12 O16 -","- C144 H114 Cl2 Co4 N24 O32 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.0835","0.074","","","0.2227","0.2298","","","","","","1.166","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512047","17.872","0.002","28.462","0.002","14.1464","0.0014","90","","91.662","0.003","90","","7192.9","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H39 Cl Mn2 N12 O6 -","- C63 H39 Cl Mn2 N12 O6 -","- C252 H156 Cl4 Mn8 N48 O24 -","4","0.5","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.1225","0.0768","","","0.2065","0.2438","","","","","","1.041","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512048","13.1547","0.0009","13.6652","0.0009","15.592","0.001","105.471","0.0019","100.898","0.002","103.68","0.0018","2527.7","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C61 H31 N19 -","- C61 H31 N19 -","- C122 H62 N38 -","2","1","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0534","","","","0.1783","","","","","","0.964","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512049","8.0675","0.0009","8.0934","0.0009","15.5631","0.0018","83.1512","0.0014","76.1582","0.0014","76.0042","0.0014","955.33","0.19","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H26 N14 -","- C48 H26 N14 -","- C48 H26 N14 -","1","0.5","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71073","MoKα","","0.0509","0.0433","","","0.1165","0.1239","","","","","","1.03","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512050","7.7599","0.0004","25.3409","0.0012","13.0885","0.0006","90","","92.7802","0.0013","90","","2570.7","0.2","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C61 H32 N18 -","- C61 H32 N18 -","- C122 H64 N36 -","2","1","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0365","","","","0.1053","","","","","","0.951","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512051","7.792","0.003","12.715","0.004","13.1","0.004","86.007","0.014","87.137","0.012","82.964","0.018","1283.9","0.8","273","","273","","","","","","","","","3","P 1","P 1","1","","","","- C61 H32 N18 -","- C61 H32 N18 -","- C61 H32 N18 -","1","1","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0568","","","","0.1696","","","","","","1.022","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512052","7.7633","0.0017","13.078","0.004","13.081","0.004","76.175","0.013","88.07","0.02","87.743","0.013","1288.2","0.6","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C62 H34 N18 -","- C62 H34 N18 -","- C62 H34 N18 -","1","0.5","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.048","","","","0.1226","","","","","","1.017","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512053","7.7658","0.0017","13.274","0.004","25.224","0.005","93.634","0.013","95.231","0.01","90.757","0.01","2583.7","1.1","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C63 H36 N18 -","- C63 H36 N18 -","- C126 H72 N36 -","2","1","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0707","","","","0.225","","","","","","1.066","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512054","7.8494","0.0017","9.803","0.003","14.557","0.004","76.285","0.01","82.75","0.007","81.523","0.011","1071.4","0.5","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C52 H34 N14 -","- C52 H34 N14 -","- C52 H34 N14 -","1","0.5","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0445","","","","0.1314","","","","","","1.034","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512055","7.6612","0.0015","13.068","0.004","14.039","0.004","76.243","0.011","76.68","0.016","80.966","0.012","1320.7","0.6","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C64 H38 N18 -","- C64 H38 N18 -","- C64 H38 N18 -","1","0.5","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0499","","","","0.1475","","","","","","1.05","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512056","5.8981","0.0001","5.8981","0.0001","23.2029","0.0007","90","","90","","120","","699.03","0.03","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba2 Fe22.46 O38 Ti1.54 -","- Ba2 Fe22.74 O38 Ti1.26 -","- Ba2 Fe22.74 O38 Ti1.26 -","1","0.0416667","","Vinnik, Denis A.; Zherebtsov, Dmitry A.; Mashkovtseva, Lubov S.; Nemrava, Sandra; Perov, Nikolai S.; Semisalova, Anna S.; Krivtsov, Igor V.; Isaenko, Ludmila I.; Mikhailov, Gennady G.; Niewa, Rainer","Ti-Substituted BaFe12O19Single Crystal Growth and Characterization","Crystal Growth & Design","2014","14","11","5834","","10.1021/cg501075c","","","0.71073","MoKα","","0.0273","0.025","","","0.059","0.0602","","","","","","3.324","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512057","9.64383","0.00015","5.51183","0.00007","14.44803","0.00018","90","","95.6537","0.0013","90","","764.251","0.018","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O6 -","- C16 H22 O6 -","- C32 H44 O12 -","2","1","","Kim, Junghwa; Lee, Dong-Hwan; Kalutharage, Nishantha; Yi, Chae S.","Selective Catalytic Synthesis of Unsymmetrical Ethers from the Dehydrative Etherification of Two Different Alcohols","ACS Catalysis","2014","4","11","3881","","10.1021/cs5012537","","","1.5418","CuKα","","0.0274","0.0271","","","0.0703","0.0705","","","","","","1.065","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512058","12.0622","0.0003","9.18339","0.00018","13.6306","0.0003","90","","94.3","0.002","90","","1505.64","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H54 O2 -","- C35 H54 O2 -","- C70 H108 O4 -","2","1","","Kim, Junghwa; Lee, Dong-Hwan; Kalutharage, Nishantha; Yi, Chae S.","Selective Catalytic Synthesis of Unsymmetrical Ethers from the Dehydrative Etherification of Two Different Alcohols","ACS Catalysis","2014","4","11","3881","","10.1021/cs5012537","","","1.54184","CuKα","","0.0549","0.0474","","","0.1138","0.1222","","","","","","1.025","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512059","33.2711","0.0008","10.8322","0.0003","33.0273","0.0011","90","","118.742","0.001","90","","10436.5","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C89 H106 Cl2 Hg4 I8 O16 S4 -","- C89 H106 Cl2 Hg4 I8 O16 S4 -","- C356 H424 Cl8 Hg16 I32 O64 S16 -","4","0.5","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.0803","0.0603","","","0.1569","0.1754","","","","","","1.024","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512060","30.8857","0.0012","16.9408","0.0007","10.3607","0.0004","90","","90","","90","","5421","0.4","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C49 H54 Cl2 Hg2 N4 O8 S6 -","- C49 H54 Cl2 Hg2 N4 O8 S6 -","- C196 H216 Cl8 Hg8 N16 O32 S24 -","4","1","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.0497","0.0408","","","0.0902","0.0947","","","","","","1.009","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512061","29.8008","0.0007","20.536","0.0005","17.0526","0.0004","90","","107.387","0.001","90","","9959.2","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 Cd2 I4 O8 S2 -","- C44 H52 Cd2 I4 O8 S2 -","- C352 H416 Cd16 I32 O64 S16 -","8","1","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.0762","0.0413","","","0.0803","0.0929","","","","","","1.003","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512062","30.164","0.0007","20.3123","0.0005","17.0779","0.0004","90","","107.648","0.001","90","","9971.2","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H104 Cd3 Hg I8 O16 S4 -","- C88 H104 Cd3 Hg I8 O16 S4 -","- C352 H416 Cd12 Hg4 I32 O64 S16 -","4","0.5","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.0873","0.0737","","","0.2263","0.2412","","","","","","1.041","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512063","27.7063","0.0005","26.8081","0.0004","30.0316","0.0005","90","","95.639","0.001","90","","22198.1","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C380 H412 Cu12 K16 N28 O64 S44 -","- C380 H412 Cu12 K16 N28 O64 S44 -","- C760 H824 Cu24 K32 N56 O128 S88 -","2","0.5","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.1278","0.0688","","","0.1689","0.189","","","","","","1.033","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512064","15.747","0.0003","30.7069","0.0006","13.051","0.0002","90","","99.258","0.001","90","","6228.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 Hg3 K2 N8 O8 S10 -","- C52 H52 Hg3 K2 N8 O8 S10 -","- C208 H208 Hg12 K8 N32 O32 S40 -","4","1","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.0547","0.0362","","","0.0838","0.0942","","","","","","1.036","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512065","62.113","0.006","14.037","0.0012","14.5232","0.0013","90","","92.444","0.008","90","","12651","2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 Cd3.5 I9 K2 O8 S2 -","- C44 H52 Cd3.5 I9 K2 O8 S2 -","- C352 H416 Cd28 I72 K16 O64 S16 -","8","1","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.1288","0.1131","","","0.327","0.3434","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512066","22.0389","0.0009","13.5835","0.0005","15.0343","0.0005","90","","115.944","0.004","90","","4047.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 Fe N6 O3 S2 -","- C34 H24 Fe N6 S2 -","- C136 H96 Fe4 N24 S8 -","4","0.5","","Wu, Xue-Ru; Yang, Xü; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun","Solvent-Mediated Isomerization of FeIIComplexes from a 3D 65·8 Framework to a 2D 44Rhombus-Grid Network","Crystal Growth & Design","2014","14","10","4891","","10.1021/cg5011506","","","0.71073","MoKα","","0.1162","0.1072","","","0.3301","0.3382","","","","","","2.675","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512067","11.4071","0.0007","15.8882","0.0012","13.1892","0.0007","90","","99.639","0.006","90","","2356.6","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C34 H29 Fe N6 O2.5 S2 -","- C34 H24 Fe N6 S2 -","- C68 H48 Fe2 N12 S4 -","2","0.5","","Wu, Xue-Ru; Yang, Xü; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun","Solvent-Mediated Isomerization of FeIIComplexes from a 3D 65·8 Framework to a 2D 44Rhombus-Grid Network","Crystal Growth & Design","2014","14","10","4891","","10.1021/cg5011506","","","0.71073","MoKα","","0.0909","0.0683","","","0.2051","0.2247","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512068","7.7312","0.0004","9.0974","0.0004","11.4447","0.0006","99.14","0.004","104.351","0.005","104.366","0.005","734.33","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Fe N6 S2 -","- C34 H24 Fe N6 S2 -","- C34 H24 Fe N6 S2 -","1","0.5","","Wu, Xue-Ru; Yang, Xü; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun","Solvent-Mediated Isomerization of FeIIComplexes from a 3D 65·8 Framework to a 2D 44Rhombus-Grid Network","Crystal Growth & Design","2014","14","10","4891","","10.1021/cg5011506","","","0.71073","MoKα","","0.0475","0.0398","","","0.1261","0.1365","","","","","","0.998","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512069","12.2567","0.0004","9.1981","0.0004","11.9933","0.0004","90","","98.048","0.003","90","","1338.79","0.09","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C12 H16 F6 N8 O10 S4 Zn -","- C12 H12 F6 N8 O10 S4 Zn -","- C24 H24 F12 N16 O20 S8 Zn2 -","2","0.5","","Yao, Jia; Chen, Jia-Mei; Xu, Yi-Bo; Lu, Tong-Bu","Enhancing the Solubility of 6-Mercaptopurine by Formation of Ionic Cocrystal with Zinc Trifluoromethanesulfonate: Single-Crystal-to-Single-Crystal Transformation","Crystal Growth & Design","2014","14","10","5019","","10.1021/cg5005819","","","1.54178","CuKα","","0.0531","0.0476","","","0.1302","0.1356","","","","","","1.041","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512070","12.2295","0.0003","18.1053","0.0006","11.9682","0.0003","90","","97.479","0.002","90","","2627.44","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F6 N8 O9 S4 Zn -","- C13 H14 F6 N8 O9 S4 Zn -","- C52 H56 F24 N32 O36 S16 Zn4 -","4","1","","Yao, Jia; Chen, Jia-Mei; Xu, Yi-Bo; Lu, Tong-Bu","Enhancing the Solubility of 6-Mercaptopurine by Formation of Ionic Cocrystal with Zinc Trifluoromethanesulfonate: Single-Crystal-to-Single-Crystal Transformation","Crystal Growth & Design","2014","14","10","5019","","10.1021/cg5005819","","","1.54178","CuKα","","0.0793","0.0583","","","0.162","0.1842","","","","","","1.024","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512071","12.1058","0.0005","9.1233","0.0007","11.96","0.0005","90","","96.781","0.004","90","","1311.68","0.13","300","2","300","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C12 H10 F6 N8 O7 S4 Zn -","- C12 H10 F6 N8 O7 S4 Zn -","- C24 H20 F12 N16 O14 S8 Zn2 -","2","0.5","","Yao, Jia; Chen, Jia-Mei; Xu, Yi-Bo; Lu, Tong-Bu","Enhancing the Solubility of 6-Mercaptopurine by Formation of Ionic Cocrystal with Zinc Trifluoromethanesulfonate: Single-Crystal-to-Single-Crystal Transformation","Crystal Growth & Design","2014","14","10","5019","","10.1021/cg5005819","","","1.54178","CuKα","","0.0928","0.0779","","","0.2198","0.2439","","","","","","1.042","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512072","20.7465","0.0002","20.7465","0.0002","20.7465","0.0002","90","","90","","90","","8929.65","0.15","100","2","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","UiO-66","Zr(IV) terephthalate metal-organic framework","","- C34.94 H17.47 O61.74 Zr6 -","- C34.896 H17.448 O61.68 Zr6 -","- C139.584 H69.792 O246.72 Zr24 -","4","0.0208333","","Øien, Sigurd; Wragg, David; Reinsch, Helge; Svelle, Stian; Bordiga, Silvia; Lamberti, Carlo; Lillerud, Karl Petter","Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5370","","10.1021/cg501386j","","x-ray","0.76","synchrotron","","0.0244","0.0233","","","0.071","0.0714","","","","","","1.113","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512073","26.8809","0.0003","26.8809","0.0003","26.8809","0.0003","90","","90","","90","","19423.7","0.4","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","UiO-67","Zr(IV) biphenyl dicarboxylate metal-organic framework","","- C84 H48 O32 Zr6 -","- C84 H48 O32 Zr6 -","- C336 H192 O128 Zr24 -","4","0.0208333","","Øien, Sigurd; Wragg, David; Reinsch, Helge; Svelle, Stian; Bordiga, Silvia; Lamberti, Carlo; Lillerud, Karl Petter","Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5370","","10.1021/cg501386j","","x-ray","0.76","synchrotron","","0.0232","0.0206","","","0.0546","0.0553","","","","","","1.047","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512074","20.7465","0.0002","20.7465","0.0002","20.7465","0.0002","90","","90","","90","","8929.65","0.15","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","UiO-66","Zr(IV) terephthalate metal-organic framework","","- C34.32 H17.14 O32.02 Zr6 -","- C34.272 H17.136 O32 Zr6 -","- C137.088 H68.544 O128 Zr24 -","4","0.0208333","","Øien, Sigurd; Wragg, David; Reinsch, Helge; Svelle, Stian; Bordiga, Silvia; Lamberti, Carlo; Lillerud, Karl Petter","Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5370","","10.1021/cg501386j","","x-ray","0.76","synchrotron","","0.0207","0.0198","","","0.0601","0.0603","","","","","","1.155","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512075","20.913","0.019","13.424","0.011","15.628","0.011","90","","123.171","0.011","90","","3672","5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Cu2 I2 S2 -","- C15 H16 Cu2 I2 S2 -","- C120 H128 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0561","0.0526","","","0.1064","0.1081","","","","","","1.056","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512076","20.375","0.003","14.222","0.0019","15.564","0.002","90","","121.296","0.002","90","","3853.8","0.9","130","2","130","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Cu2 I2 O2 S2 -","- C15 H16 Cu2 I2 O2 S2 -","- C120 H128 Cu16 I16 O16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα","","0.0781","0.0762","","","0.1916","0.1922","","","","","","1.498","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512077","15.46176","0.00017","11.47353","0.00013","40.5252","0.0005","90","","90","","90","","7189.21","0.14","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H32 Cu4 I4 S4 -","- C30 H32 Cu4 I4 S4 -","- C240 H256 Cu32 I32 S32 -","8","2","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0317","0.0263","","","0.063","0.0641","","","","","","1.033","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512078","19.986","0.002","18.1136","0.0012","15.6749","0.0015","90","","106.651","0.011","90","","5436.7","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 Cu2 I2 S2 -","- C23 H32 Cu2 I2 S2 -","- C184 H256 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.057","0.0335","","","0.0462","0.0473","","","","","","1.011","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512079","12.8375","0.0006","6.4922","0.0003","16.7746","0.0008","90","","93.041","0.001","90","","1396.09","0.11","130","2","130","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C26 H24 Br2 Cu2 S4 -","- C26 H24 Br2 Cu2 S4 -","- C52 H48 Br4 Cu4 S8 -","2","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα","","0.0802","0.0451","","","0.0742","0.0841","","","","","","0.919","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512080","37.0978","0.001","7.8345","0.0002","24.6467","0.0005","90","","124.728","0.002","90","","5887.3","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Br Cu S4 -","- C30 H32 Br Cu S4 -","- C240 H256 Br8 Cu8 S32 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0294","0.0229","","","0.0571","0.0602","","","","","","1.035","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512081","6.576","0.003","22.668","0.011","10.996","0.005","90","","95.183","0.01","90","","1632.4","1.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br Cu O2 S2 -","- C15 H16 Br Cu O2 S2 -","- C60 H64 Br4 Cu4 O8 S8 -","4","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0823","0.0399","","","0.063","0.0729","","","","","","1.001","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512082","17.6959","0.0012","13.8363","0.001","13.0155","0.001","90","","101.879","0.003","90","","3118.5","0.4","115","","115","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Br Cu S2 -","- C15 H16 Br Cu S2 -","- C120 H128 Br8 Cu8 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα","K-L~3~","0.0382","0.0287","","","0.0591","0.0642","","","","","","1.049","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512083","13.6576","0.0004","16.2552","0.0005","16.3334","0.0005","90","","90","","90","","3626.13","0.19","115","2","115","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H19 Br Cu N S2 -","- C17 H19 Br Cu N S2 -","- C136 H152 Br8 Cu8 N8 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0278","0.02","","","0.046","0.0483","","","","","","1.036","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512084","20.8678","0.0005","11.6643","0.0004","15.5812","0.0005","90","","119.489","0.001","90","","3301.26","0.18","115","2","115","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cu2 I2 S2 -","- C13 H12 Cu2 I2 S2 -","- C104 H96 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0296","0.0268","","","0.061","0.0625","","","","","","1.11","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512085","20.9419","0.0004","11.6698","0.0003","15.5977","0.0004","90","","119.536","0.001","90","","3316.52","0.14","155","2","155","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cu2 I2 S2 -","- C13 H12 Cu2 I2 S2 -","- C104 H96 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0293","0.026","","","0.0574","0.059","","","","","","1.093","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512086","21.023","0.0005","11.6821","0.0003","15.6172","0.0004","90","","119.628","0.001","90","","3334","0.15","195","2","195","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cu2 I2 S2 -","- C13 H12 Cu2 I2 S2 -","- C104 H96 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0329","0.029","","","0.063","0.0653","","","","","","1.101","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512087","19.179","0.0004","11.5855","0.0003","15.5817","0.0004","90","","105.437","0.001","90","","3337.32","0.14","235","2","235","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cu4 I4 S4 -","- C26 H24 Cu4 I4 S4 -","- C104 H96 Cu16 I16 S16 -","4","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.052","0.0381","","","0.0986","0.1086","","","","","","1.096","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512088","20.6176","0.001","13.5558","0.0007","15.5707","0.0007","90","","123.399","0.001","90","","3633.2","0.3","115","","115","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 Cu2 I2 S2 -","- C13 H10 Br2 Cu2 I2 S2 -","- C104 H80 Br16 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.036","0.0322","","","0.093","0.0943","","","","","","1.284","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512089","20.698","0.0013","13.5689","0.0009","15.5919","0.0009","90","","123.481","0.002","90","","3652.4","0.4","155","","155","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 Cu2 I2 S2 -","- C13 H10 Br2 Cu2 I2 S2 -","- C104 H80 Br16 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0355","0.0311","","","0.0876","0.0891","","","","","","1.255","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512090","20.7724","0.0015","13.58","0.001","15.6132","0.001","90","","123.529","0.002","90","","3671.5","0.5","195","","195","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 Cu2 I2 S2 -","- C13 H10 Br2 Cu2 I2 S2 -","- C104 H80 Br16 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0454","0.035","","","0.0944","0.0977","","","","","","1.223","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512091","20.843","0.002","13.5799","0.0015","15.6226","0.0015","90","","123.622","0.002","90","","3682.2","0.7","235","","235","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 Cu2 I2 S2 -","- C13 H10 Br2 Cu2 I2 S2 -","- C104 H80 Br16 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0529","0.0385","","","0.1055","0.1107","","","","","","1.256","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512092","20.941","0.004","13.579","0.003","15.667","0.003","90","","123.704","0.004","90","","3706.2","1.3","235","","235","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 Cu2 I2 S2 -","- C13 H10 Br2 Cu2 I2 S2 -","- C104 H80 Br16 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0462","0.0366","","","0.1121","0.116","","","","","","1.244","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512093","14.253","0.003","17.358","0.004","24.575","0.005","90","","90","","90","","6080","2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N4 Ni O7 S -","- C30 H28 N4 Ni O7 S -","- C240 H224 N32 Ni8 O56 S8 -","8","2","","do Pim, Walace D.; Simões, Tatiana R. G.; Oliveira, Willian X. C.; Fernandes, Isabella R. A.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Pereira, Cynthia L. M.","Influence of Copper(II) and Nickel(II) Ions in the Topology of Systems Based on a Flexible Bis-Oxamate and Bipyridine Building Blocks","Crystal Growth & Design","2014","14","11","5929","","10.1021/cg501134y","","","1.5418","CuKα","","0.0935","0.0706","","","0.168","0.1869","","","","","","1.025","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512094","13.7575","0.0006","15.2378","0.0006","15.4772","0.0007","90","","107.356","0.004","90","","3096.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cu N4 O10 S -","- C30 H34 Cu N4 O10 S -","- C120 H136 Cu4 N16 O40 S4 -","4","1","","do Pim, Walace D.; Simões, Tatiana R. G.; Oliveira, Willian X. C.; Fernandes, Isabella R. A.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Pereira, Cynthia L. M.","Influence of Copper(II) and Nickel(II) Ions in the Topology of Systems Based on a Flexible Bis-Oxamate and Bipyridine Building Blocks","Crystal Growth & Design","2014","14","11","5929","","10.1021/cg501134y","","","1.5418","CuKα","","0.0977","0.0608","","","0.1559","0.1831","","","","","","1.018","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512095","23.529","0.003","19.2568","0.0006","16.5702","0.0019","90","","134.7","0.02","90","","5337","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 Cu2 N8 O15 -","- C56 H44 Cu2 N8 O15 -","- C224 H176 Cu8 N32 O60 -","4","0.5","","do Pim, Walace D.; Simões, Tatiana R. G.; Oliveira, Willian X. C.; Fernandes, Isabella R. A.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Pereira, Cynthia L. M.","Influence of Copper(II) and Nickel(II) Ions in the Topology of Systems Based on a Flexible Bis-Oxamate and Bipyridine Building Blocks","Crystal Growth & Design","2014","14","11","5929","","10.1021/cg501134y","","","1.5418","CuKα","","0.0754","0.0502","","","0.1203","0.1378","","","","","","1.07","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512096","14.5988","0.0011","18.3712","0.0013","29.645","0.002","75.894","0.002","82.961","0.002","89.936","0.002","7649.4","0.9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","3 in manuscript","","","- C40 H50 Br2 Si2 -","- C40 H50 Br2 Si2 -","- C320 H400 Br16 Si16 -","8","4","","Porz, Michael; Rominger, Frank; Bunz, Uwe H. F.","Halogen Bonding in Diaza-Triisopropylsilyl-Tetracene Crystals?","Crystal Growth & Design","2014","14","11","5962","","10.1021/cg5011538","","","0.71073","MoKα","","0.1417","0.0623","","","0.1112","0.1324","","","","","","0.91","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512097","13.61","0.004","15.889","0.004","18.55","0.005","83.035","0.005","80.225","0.005","90.002","0.005","3923.1","1.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","4 in manuscript","","","- C38 H48 I2 N2 Si2 -","- C38 H48 I2 N2 Si2 -","- C152 H192 I8 N8 Si8 -","4","2","","Porz, Michael; Rominger, Frank; Bunz, Uwe H. F.","Halogen Bonding in Diaza-Triisopropylsilyl-Tetracene Crystals?","Crystal Growth & Design","2014","14","11","5962","","10.1021/cg5011538","","","0.71073","MoKα","","0.1292","0.0843","","","0.2036","0.2455","","","","","","1.044","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512098","13.244","0.004","15.75","0.005","18.711","0.006","96.878","0.007","100.07","0.007","90.069","0.007","3814","2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","5 in manuscript","","","- C38 H48 Br2 N2 Si2 -","- C38 H48 Br2 N2 Si2 -","- C152 H192 Br8 N8 Si8 -","4","2","","Porz, Michael; Rominger, Frank; Bunz, Uwe H. F.","Halogen Bonding in Diaza-Triisopropylsilyl-Tetracene Crystals?","Crystal Growth & Design","2014","14","11","5962","","10.1021/cg5011538","","","0.71073","MoKα","","0.1653","0.0878","","","0.2172","0.2569","","","","","","1.035","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512099","35.2753","0.0013","15.2226","0.0005","14.7459","0.0005","90","","104.246","0.001","90","","7674.8","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","6 in manuscript","","","- C38 H47 Br3 N2 Si2 -","- C38 H47 Br3 N2 Si2 -","- C304 H376 Br24 N16 Si16 -","8","1","","Porz, Michael; Rominger, Frank; Bunz, Uwe H. F.","Halogen Bonding in Diaza-Triisopropylsilyl-Tetracene Crystals?","Crystal Growth & Design","2014","14","11","5962","","10.1021/cg5011538","","","0.71073","MoKα","","0.0956","0.0659","","","0.1383","0.1526","","","","","","1.02","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512100","4.9917","0.0002","14.1715","0.0005","9.5119","0.0004","90","","94.629","0.003","90","","670.68","0.05","20","0.1","20","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","0.5","","Zhurov, Vladimir V.; Pinkerton, A. Alan","Quantifying the Inter- and Intramolecular Interactions in Crystalline Phthalic Acid","Crystal Growth & Design","2014","14","11","5685","","10.1021/cg500970v","","","0.71073","MoKα","","0.0159","0.0159","","","","0.014","0.0157","","","","","0.9865","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512101","9.33","0.0019","13.642","0.003","16.734","0.003","90","","95.92","0.03","90","","2118.5","0.7","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 Mo N8 -","- C8 Cl3 Co Cs4 Mo N8 -","- C32 Cl12 Co4 Cs16 Mo4 N32 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Takahashi, Daisuke; Kinoshita, Takaaki; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Cesium Cyano-Bridged CoII‒MV(M = Mo and W) Layered Frameworks Exhibiting High Thermal Durability and Metamagnetism","Crystal Growth & Design","2014","14","11","6093","","10.1021/cg501250p","","","0.689","synchrotron","","0.047","0.0345","","","0.0837","0.1159","","","","","","0.995","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512102","9.3455","0.0016","13.677","0.002","16.773","0.003","90","","95.956","0.003","90","","2132.3","0.6","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Takahashi, Daisuke; Kinoshita, Takaaki; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Cesium Cyano-Bridged CoII‒MV(M = Mo and W) Layered Frameworks Exhibiting High Thermal Durability and Metamagnetism","Crystal Growth & Design","2014","14","11","6093","","10.1021/cg501250p","","","0.71075","MoKα","","0.0698","0.0479","","","0.0852","0.0925","","","","","","1.07","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512103","10.5038","0.0003","34.0884","0.0008","16.2118","0.0004","90","","95.3653","0.0006","90","","5779.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53 Co2 N11 O15 S2 -","- C57 H53 Co2 N11 O15 S2 -","- C228 H212 Co8 N44 O60 S8 -","4","1","","Lee, Cheng-Hua; Wu, Jing-Yun; Lee, Gene-Hsiang; Peng, Shie-Ming; Jiang, Jyh-Chiang; Lu, Kuang-Lieh","Correlation of Mesh Size of Metal‒Carboxylate Layer with Degree of Interpenetration in Pillared-Layer Frameworks","Crystal Growth & Design","2014","14","11","5608","","10.1021/cg500871d","","","0.71073","MoKα","","0.0709","0.0518","","","0.1445","0.1548","","","","","","1.017","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512104","18.3924","0.0004","18.3924","0.0004","20.0627","0.001","90","","90","","120","","5877.6","0.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H80 Co3 N14 O29 -","- C72 H48 Co3 N12 O18 -","- C216 H144 Co9 N36 O54 -","3","0.166667","","Lee, Cheng-Hua; Wu, Jing-Yun; Lee, Gene-Hsiang; Peng, Shie-Ming; Jiang, Jyh-Chiang; Lu, Kuang-Lieh","Correlation of Mesh Size of Metal‒Carboxylate Layer with Degree of Interpenetration in Pillared-Layer Frameworks","Crystal Growth & Design","2014","14","11","5608","","10.1021/cg500871d","","","0.71073","MoKα","","0.0611","0.0437","","","0.1164","0.1231","","","","","","1.008","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512105","11.7801","0.0007","14.2655","0.0008","17.1787","0.001","88.278","0.001","80.64","0.001","69.608","0.001","2668.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H31 Cl Ir N2 O2 P -","- C44 H31 Cl Ir N2 O2 P -","- C88 H62 Cl2 Ir2 N4 O4 P2 -","2","1","","Wang, Dawei; Zhao, Keyan; Xu, Chongying; Miao, Hongyan; Ding, Yuqiang","Synthesis, Structures of Benzoxazolyl Iridium(III) Complexes, and Applications on C‒C and C‒N Bond Formation Reactions under Solvent-Free Conditions: Catalytic Activity Enhanced by Noncoordinating Anion without Silver Effect","ACS Catalysis","2014","4","11","3910","","10.1021/cs5009909","","","0.71073","MoKα","","0.0408","0.0351","","","0.1125","0.1172","","","","","","1.068","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512106","9.2237","0.001","23.848","0.003","16.3363","0.0017","90","","103.348","0.002","90","","3496.4","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 Cl Ir N2 O2 P -","- C38 H43 Cl Ir N2 O2 P -","- C152 H172 Cl4 Ir4 N8 O8 P4 -","4","1","","Wang, Dawei; Zhao, Keyan; Xu, Chongying; Miao, Hongyan; Ding, Yuqiang","Synthesis, Structures of Benzoxazolyl Iridium(III) Complexes, and Applications on C‒C and C‒N Bond Formation Reactions under Solvent-Free Conditions: Catalytic Activity Enhanced by Noncoordinating Anion without Silver Effect","ACS Catalysis","2014","4","11","3910","","10.1021/cs5009909","","","0.71073","MoKα","","0.0834","0.0504","","","0.1067","0.1212","","","","","","1.031","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512107","10.179","0.002","4.9461","0.001","17.042","0.003","90","","90","","90","","858","0.3","120","0.2","120","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H32 Li8 N8 O32 S8 -","8","2","","Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam","Polymorphism and Polytypism of α-LiNH4SO4Crystals. Monte Carlo Modeling Based on X-ray Diffuse Scattering","Crystal Growth & Design","2014","14","11","5784","","10.1021/cg501044n","","","0.71073","MoKα","","0.0347","0.032","","","0.075","0.0762","","","","","","1.156","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512108","10.193","0.002","4.9967","0.001","17.127","0.003","90","","90","","90","","872.3","0.3","300","0.5","300","0.5","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H32 Li8 N8 O32 S8 -","8","2","","Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam","Polymorphism and Polytypism of α-LiNH4SO4Crystals. Monte Carlo Modeling Based on X-ray Diffuse Scattering","Crystal Growth & Design","2014","14","11","5784","","10.1021/cg501044n","","","0.71073","MoKα","","0.0375","0.0334","","","0.0752","0.0768","","","","","","1.122","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512109","10.21","0.002","5.008","0.001","17.153","0.003","90","","90","","90","","877.1","0.3","383","0.5","383","0.5","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H32 Li8 N8 O32 S8 -","8","2","","Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam","Polymorphism and Polytypism of α-LiNH4SO4Crystals. Monte Carlo Modeling Based on X-ray Diffuse Scattering","Crystal Growth & Design","2014","14","11","5784","","10.1021/cg501044n","","","0.71073","MoKα","","0.0407","0.0353","","","0.0792","0.0816","","","","","","1.139","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512111","8.3263","0.0008","12.0421","0.0011","24.7248","0.0019","90","","100.397","0.003","90","","2438.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl3 N4 O13 -","- C20 H19 Cl3 N4 O13 -","- C80 H76 Cl12 N16 O52 -","4","1","","Manna, Prankrishna; Seth, Saikat Kumar; Mitra, Monojit; Choudhury, Somnath Ray; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Experimental and Computational Study of Counterintuitive ClO4‒···ClO4‒Interactions and the Interplay between π±-π and Anion···π+Interactions","Crystal Growth & Design","2014","14","11","5812","","10.1021/cg5014126","","","0.71073","MoKα","","0.0584","0.0517","","","0.1325","0.1368","","","","","","1.075","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512112","16.8803","0.0019","9.7363","0.0011","18.993","0.002","90","","102.645","0.002","90","","3045.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Cu2 N8 O16 -","- C26 H26 Cu2 N8 O16 -","- C104 H104 Cu8 N32 O64 -","4","1","","Li, Zhuo; Wang, Yu-Fang; Liu, Bin; Zheng, Tian-Yu; Zhang, Shi-Chao; Zhao, Jian-She","Pressure-Dependent Pseudo-Polymorphism of Polymeric {[Cu2(TBA)]·2H2O}nand Dinuclear [Cu2(TBA)(H2O)2]·2H2O Complexes Based on in Situ Tetramerization of DMBA","Crystal Growth & Design","2014","14","11","5640","","10.1021/cg500935a","","","0.71073","MoKα","","0.0758","0.0527","","","0.1351","0.1517","","","","","","1.057","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512113","21.291","0.007","10.161","0.003","15.215","0.006","90","","120.542","0.01","90","","2834.9","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cu2 N8 O14 -","- C26 H24 Cu2 N8 O14 -","- C104 H96 Cu8 N32 O56 -","4","0.5","","Li, Zhuo; Wang, Yu-Fang; Liu, Bin; Zheng, Tian-Yu; Zhang, Shi-Chao; Zhao, Jian-She","Pressure-Dependent Pseudo-Polymorphism of Polymeric {[Cu2(TBA)]·2H2O}nand Dinuclear [Cu2(TBA)(H2O)2]·2H2O Complexes Based on in Situ Tetramerization of DMBA","Crystal Growth & Design","2014","14","11","5640","","10.1021/cg500935a","","","0.71073","MoKα","","0.2655","0.0857","","","0.1842","0.2655","","","","","","0.894","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512114","9.6141","0.0006","9.9322","0.0007","22.0885","0.0015","91.263","0.002","91.897","0.002","108.972","0.002","1992.3","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H14 Cl F N4 O S -","- C21 H14 Cl F N4 O S -","- C84 H56 Cl4 F4 N16 O4 S4 -","4","2","","Dey, Dhananjay; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Computational Study of the Formation of Short Centrosymmetric N‒H···S Supramolecular Synthon and Related Weak Interactions in Crystalline 1,2,4-Triazoles","Crystal Growth & Design","2014","14","11","5881","","10.1021/cg501103c","","","0.71073","MoKα","","0.0951","0.0587","","","0.1507","0.1743","","","","","","1.023","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512115","9.654","0.0004","9.8749","0.0005","21.2608","0.001","86.568","0.002","89.868","0.002","70.302","0.002","1904.47","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H14 F2 N4 O S -","- C21 H14 F2 N4 O S -","- C84 H56 F8 N16 O4 S4 -","4","2","","Dey, Dhananjay; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Computational Study of the Formation of Short Centrosymmetric N–H···S Supramolecular Synthon and Related Weak Interactions in Crystalline 1,2,4-Triazoles","Crystal Growth & Design","2014","14","11","5881","","10.1021/cg501103c","","","0.71073","MoKα","","0.072","0.0426","","","0.1077","0.1202","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4512116","9.7483","0.0004","10.2085","0.0004","12.235","0.0004","94.986","0.002","99.205","0.002","99.983","0.002","1175.44","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 F N4 O2 S -","- C27 H19 F N4 O2 S -","- C54 H38 F2 N8 O4 S2 -","2","1","","Dey, Dhananjay; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Computational Study of the Formation of Short Centrosymmetric N–H···S Supramolecular Synthon and Related Weak Interactions in Crystalline 1,2,4-Triazoles","Crystal Growth & Design","2014","14","11","5881","","10.1021/cg501103c","","","0.71073","MoKα","","0.0875","0.0536","","","0.1518","0.1743","","","","","","1.011","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4512117","9.246","0.003","10.328","0.004","10.939","0.005","76.69","0.02","86.21","0.02","66.8","0.017","934","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H21 N3 -","- C24 H21 N3 -","- C48 H42 N6 -","2","1","","Vishnoi, Pratap; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Containment of Polynitroaromatic Compounds in a Hydrogen Bonded Triarylbenzene Host","Crystal Growth & Design","2014","14","11","5668","","10.1021/cg500948h","","","0.71075","MoKα","","0.0637","0.0452","","","0.0933","0.0977","","","","","","0.859","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512118","7.158","0.004","14.331","0.008","14.651","0.008","114.992","0.009","96.439","0.006","96.452","0.004","1332.1","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N6 O6 -","- C31 H26 N6 O6 -","- C62 H52 N12 O12 -","2","1","","Vishnoi, Pratap; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Containment of Polynitroaromatic Compounds in a Hydrogen Bonded Triarylbenzene Host","Crystal Growth & Design","2014","14","11","5668","","10.1021/cg500948h","","","0.71075","MoKα","","0.0684","0.0553","","","0.1485","0.1576","","","","","","0.998","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512119","6.943","0.003","14.503","0.005","25.797","0.009","90","","97.48","0.007","90","","2575.5","1.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N6 O7 -","- C30 H24 N6 O7 -","- C120 H96 N24 O28 -","4","1","","Vishnoi, Pratap; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Containment of Polynitroaromatic Compounds in a Hydrogen Bonded Triarylbenzene Host","Crystal Growth & Design","2014","14","11","5668","","10.1021/cg500948h","","","0.71075","MoKα","","0.0674","0.0553","","","0.1293","0.1382","","","","","","1.086","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512120","7.431","0.014","12.83","0.04","20.81","0.07","88.87","0.15","79.84","0.13","88.35","0.11","1952","10","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H33 N9 O12 -","- C42 H33 N9 O12 -","- C84 H66 N18 O24 -","2","1","","Vishnoi, Pratap; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Containment of Polynitroaromatic Compounds in a Hydrogen Bonded Triarylbenzene Host","Crystal Growth & Design","2014","14","11","5668","","10.1021/cg500948h","","","0.71075","MoKα","","0.0806","0.0609","","","0.1309","0.1436","","","","","","1.12","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512121","22.7006","0.0007","7.2522","0.0002","24.5928","0.0008","90","","114.651","0.004","90","","3679.7","0.2","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C13 H17 Cl2 F4 I2 N -","- C13 H17 Cl2 F4 I2 N -","- C104 H136 Cl16 F32 I16 N8 -","8","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Isostructural Co-crystals Derived from Molecules with Different Supramolecular Topologies","Crystal Growth & Design","2014","14","11","6041","","10.1021/cg501210t","","","0.71073","MoKα","","0.0328","0.0257","","","0.0632","0.0649","","","","","","1.101","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512122","7.25856","0.0001","22.6912","0.0002","11.65272","0.00015","90","","107.655","0.0014","90","","1828.87","0.04","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 Cl2 F4 I2 N -","- C13 H17 Cl2 F4 I2 N -","- C52 H68 Cl8 F16 I8 N4 -","4","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Isostructural Co-crystals Derived from Molecules with Different Supramolecular Topologies","Crystal Growth & Design","2014","14","11","6041","","10.1021/cg501210t","","","0.71073","MoKα","","0.0214","0.0188","","","0.0467","0.0475","","","","","","1.074","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512123","7.36183","0.00018","23.1141","0.0005","11.7718","0.0003","90","","107.919","0.003","90","","1905.95","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Br2 F4 I2 N -","- C13 H17 Br2 F4 I2 N -","- C52 H68 Br8 F16 I8 N4 -","4","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Isostructural Co-crystals Derived from Molecules with Different Supramolecular Topologies","Crystal Growth & Design","2014","14","11","6041","","10.1021/cg501210t","","","0.71073","MoKα","","0.03","0.0233","","","0.053","0.054","","","","","","1.031","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512124","11.5522","0.0004","23.5906","0.0007","7.0881","0.0002","90","","105.784","0.004","90","","1858.84","0.11","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H17 Cl2 F4 I2 N -","- C13 H17 Cl2 F4 I2 N -","- C52 H68 Cl8 F16 I8 N4 -","4","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Isostructural Co-crystals Derived from Molecules with Different Supramolecular Topologies","Crystal Growth & Design","2014","14","11","6041","","10.1021/cg501210t","","","0.71073","MoKα","","0.0135","0.0132","","","0.0324","0.0325","","","","","","1.059","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512125","11.6862","0.0005","24.0917","0.0009","7.1603","0.0003","90","","106.682","0.005","90","","1931.07","0.15","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H17 Br2 F4 I2 N -","- C13 H17 Br2 F4 I2 N -","- C52 H68 Br8 F16 I8 N4 -","4","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Isostructural Co-crystals Derived from Molecules with Different Supramolecular Topologies","Crystal Growth & Design","2014","14","11","6041","","10.1021/cg501210t","","","0.71073","MoKα","","0.0277","0.0252","","","0.0496","0.0499","","","","","","1.084","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512126","13.966","0.002","13.966","0.002","4.1535","0.0008","90","","90","","90","","810.1","0.2","293","2","293","2","","","","","","","","4","P 42 n m","P 4n -2n","102","","","","- Cd0.84 Cs2 Hg5.16 S7 -","- Cd0.836 Cs2 Hg5.164 S7 -","- Cd1.672 Cs4 Hg10.328 S14 -","2","0.25","","Li, Hao; Malliakas, Christos D.; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Zhao, Lidong; Chung, Duck Young; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Investigation of Semi-Insulating Cs2Hg6S7and Cs2Hg6-xCdxS7Alloy for Hard Radiation Detection","Crystal Growth & Design","2014","14","11","5949","","10.1021/cg501151r","","","0.71073","MoKα","","0.0604","0.0595","","","0.1587","0.1647","","","","","","1.082","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512127","13.963","0.002","13.963","0.002","4.1567","0.0008","90","","90","","90","","810.4","0.2","293","2","293","2","","","","","","","","4","P 42 n m","P 4n -2n","102","","","","- Cd0.72 Cs2 Hg5.28 S7 -","- Cd0.724 Cs2 Hg5.276 S7 -","- Cd1.448 Cs4 Hg10.552 S14 -","2","0.25","","Li, Hao; Malliakas, Christos D.; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Zhao, Lidong; Chung, Duck Young; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Investigation of Semi-Insulating Cs2Hg6S7and Cs2Hg6-xCdxS7Alloy for Hard Radiation Detection","Crystal Growth & Design","2014","14","11","5949","","10.1021/cg501151r","","","0.71073","MoKα","","0.0265","0.0261","","","0.0581","0.0584","","","","","","1.047","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512128","13.968","0.002","13.968","0.002","4.1551","0.0008","90","","90","","90","","810.7","0.2","293","2","293","2","","","","","","","","4","P 42 n m","P 4n -2n","102","","","","- Cd0.54 Cs2 Hg5.46 S7 -","- Cd0.54 Cs2 Hg5.46 S7 -","- Cd1.08 Cs4 Hg10.92 S14 -","2","0.25","","Li, Hao; Malliakas, Christos D.; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Zhao, Lidong; Chung, Duck Young; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Investigation of Semi-Insulating Cs2Hg6S7and Cs2Hg6-xCdxS7Alloy for Hard Radiation Detection","Crystal Growth & Design","2014","14","11","5949","","10.1021/cg501151r","","","0.71073","MoKα","","0.029","0.0268","","","0.0602","0.0644","","","","","","1.026","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512129","15.0516","0.0006","21.3252","0.0007","9.1395","0.0003","90","","90","","90","","2933.58","0.18","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C62 H62 Co2 N12 O19 -","- C62 H62 Co2 N12 O19 -","- C124 H124 Co4 N24 O38 -","2","0.5","","Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.","Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers","Crystal Growth & Design","2014","14","11","5749","","10.1021/cg501004u","","","0.71073","MoKα","","0.05","0.0395","","","0.0885","0.0945","","","","","","1.037","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512130","26.6804","0.0014","9.0407","0.0005","17.7821","0.001","90","","107.089","0.003","90","","4099.8","0.4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 Co N10 O4 -","- C42 H52 Co N10 O4 -","- C168 H208 Co4 N40 O16 -","4","0.5","","Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.","Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers","Crystal Growth & Design","2014","14","11","5749","","10.1021/cg501004u","","","0.71073","MoKα","","0.0916","0.0478","","","0.094","0.1091","","","","","","1.017","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512131","10.954","0.002","13.013","0.003","14.968","0.003","90","","104","0.03","90","","2070.2","0.8","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Co N5 O2 -","- C21 H25 Co N5 O2 -","- C84 H100 Co4 N20 O8 -","4","1","","Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.","Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers","Crystal Growth & Design","2014","14","11","5749","","10.1021/cg501004u","","","0.7109","synchrotron","","0.0775","0.0505","","","0.1144","0.1275","","","","","","1.035","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512132","33.0036","0.0008","8.55033","0.00011","21.3589","0.0004","90","","124.052","0.003","90","","4993.8","0.2","120","0.2","120","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Co N4 O5 -","- C26 H28 Co N4 O5 -","- C208 H224 Co8 N32 O40 -","8","1","","Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.","Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers","Crystal Growth & Design","2014","14","11","5749","","10.1021/cg501004u","","","1.54184","CuKα","","0.0566","0.0456","","","0.103","0.1106","","","","","","1.078","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512133","8.039","0.0016","9.21","0.0018","11.042","0.002","76.54","0.03","72.17","0.03","67.29","0.03","711.8","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Cu N4 O6 -","- C28 H34 Cu N4 O6 -","- C28 H34 Cu N4 O6 -","1","0.5","","Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.","Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers","Crystal Growth & Design","2014","14","11","5749","","10.1021/cg501004u","","","0.7108","synchrotron","","0.0591","0.0465","","","0.1132","0.1209","","","","","","1.02","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512134","9.8442","0.0011","11.2855","0.0016","7.5036","0.0012","90","","90.709","0.003","90","","833.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","0.5","","Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.","Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers","Crystal Growth & Design","2014","14","11","5749","","10.1021/cg501004u","","","0.71073","MoKα","","0.132","0.0598","","","0.1119","0.1396","","","","","","0.936","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512135","16.9424","0.0005","7.4436","0.0002","18.1452","0.0006","90","","90","","90","","2288.34","0.12","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","1","","Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.","Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers","Crystal Growth & Design","2014","14","11","5749","","10.1021/cg501004u","","","0.71073","MoKα","","0.0585","0.0363","","","0.0919","0.0996","","","","","","1.017","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512136","7.8167","0.0009","17.061","0.002","14.6908","0.0014","90","","118.911","0.005","90","","1715","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N2 O8 Pb2 -","- C12 H10 Cl2 N2 O8 Pb2 -","- C48 H40 Cl8 N8 O32 Pb8 -","4","1","","Kang, Yi-Fan; Liu, Jian-Qiang; Liu, Bo; Zhang, Wen-Tao; Liu, Qing; Liu, Ping; Wang, Yao-Yu","Series of Cd(II) and Pb(II) Coordination Polymers Based on a Multilinker (R,S-)2,2′-Bipyridine-3,3′-dicarboxylate-1,1′-dioxide","Crystal Growth & Design","2014","14","11","5466","","10.1021/cg5006192","","","0.71073","MoKα","","0.0548","0.0458","","","0.1186","0.1272","","","","","","1.039","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512137","24.542","0.004","12.641","0.002","15.446","0.003","90","","90","","90","","4791.9","1.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H41 Cd2 N7 O18 -","- C39 H40.9 Cd2 N7 O17.9 -","- C156 H163.6 Cd8 N28 O71.6 -","4","0.5","","Kang, Yi-Fan; Liu, Jian-Qiang; Liu, Bo; Zhang, Wen-Tao; Liu, Qing; Liu, Ping; Wang, Yao-Yu","Series of Cd(II) and Pb(II) Coordination Polymers Based on a Multilinker (R,S-)2,2′-Bipyridine-3,3′-dicarboxylate-1,1′-dioxide","Crystal Growth & Design","2014","14","11","5466","","10.1021/cg5006192","","","0.71073","MoKα","","0.079","0.0587","","","0.1642","0.1795","","","","","","1.038","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512138","36.981","0.004","7.9533","0.001","14.8488","0.0019","90","","99.859","0.002","90","","4302.8","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H41 N6 O22 Pb2 -","- C35 H41 N6 O22 Pb2 -","- C140 H164 N24 O88 Pb8 -","4","0.5","","Kang, Yi-Fan; Liu, Jian-Qiang; Liu, Bo; Zhang, Wen-Tao; Liu, Qing; Liu, Ping; Wang, Yao-Yu","Series of Cd(II) and Pb(II) Coordination Polymers Based on a Multilinker (R,S-)2,2′-Bipyridine-3,3′-dicarboxylate-1,1′-dioxide","Crystal Growth & Design","2014","14","11","5466","","10.1021/cg5006192","","","0.71073","MoKα","","0.0358","0.0317","","","0.0849","0.0879","","","","","","1.036","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512139","37.119","0.004","7.929","0.001","14.9221","0.0017","90","","99.69","0.002","90","","4329.2","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 N3 O11 Pb -","- C18 H21 N3 O11 Pb -","- C144 H168 N24 O88 Pb8 -","8","1","","Kang, Yi-Fan; Liu, Jian-Qiang; Liu, Bo; Zhang, Wen-Tao; Liu, Qing; Liu, Ping; Wang, Yao-Yu","Series of Cd(II) and Pb(II) Coordination Polymers Based on a Multilinker (R,S-)2,2′-Bipyridine-3,3′-dicarboxylate-1,1′-dioxide","Crystal Growth & Design","2014","14","11","5466","","10.1021/cg5006192","","","0.71073","MoKα","","0.038","0.0292","","","0.0622","0.0657","","","","","","1.002","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512140","24.641","0.004","12.468","0.002","15.427","0.002","90","","90","","90","","4739.5","1.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C72 H86 Cd4 N12 O45 -","- C72 H86 Cd4 N12 O45 -","- C144 H172 Cd8 N24 O90 -","2","0.25","","Kang, Yi-Fan; Liu, Jian-Qiang; Liu, Bo; Zhang, Wen-Tao; Liu, Qing; Liu, Ping; Wang, Yao-Yu","Series of Cd(II) and Pb(II) Coordination Polymers Based on a Multilinker (R,S-)2,2′-Bipyridine-3,3′-dicarboxylate-1,1′-dioxide","Crystal Growth & Design","2014","14","11","5466","","10.1021/cg5006192","","","0.71073","MoKα","","0.0933","0.0532","","","0.1205","0.1409","","","","","","1.037","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512141","8.3104","0.0015","7.6619","0.0014","10.7189","0.0019","90","","94.267","0.003","90","","680.6","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H10 Cd N2 O8 -","- C12 H10 Cd N2 O8 -","- C24 H20 Cd2 N4 O16 -","2","0.5","","Kang, Yi-Fan; Liu, Jian-Qiang; Liu, Bo; Zhang, Wen-Tao; Liu, Qing; Liu, Ping; Wang, Yao-Yu","Series of Cd(II) and Pb(II) Coordination Polymers Based on a Multilinker (R,S-)2,2′-Bipyridine-3,3′-dicarboxylate-1,1′-dioxide","Crystal Growth & Design","2014","14","11","5466","","10.1021/cg5006192","","","0.71073","MoKα","","0.051","0.0363","","","0.099","0.1058","","","","","","1.017","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512142","18.304","0.002","18.304","0.002","22.502","0.006","90","","90","","120","","6529","2","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C22 H25.33 Cu N1.33 O5.33 -","- C22.0033 H25.31 Cu N1.33 O5.33 -","- C264.04 H303.72 Cu12 N15.96 O63.96 -","12","1","","Yakovenko, Andrey A.; Wei, Zhangwen; Wriedt, Mario; Li, Jian-Rong; Halder, Gregory J.; Zhou, Hong-Cai","Study of Guest Molecules in Metal‒Organic Frameworks by Powder X-ray Diffraction: Analysis of Difference Envelope Density","Crystal Growth & Design","2014","14","11","5397","","10.1021/cg500525g","","","0.71073","MoKα","","0.1299","0.085","","","0.1742","0.1975","","","","","","1.024","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512143","10.225","0.0003","11.4024","0.0003","53.2811","0.0014","90","","90","","90","","6212","0.3","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monoammonium glicyrrhizinate 3.0 DMF 6.53 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monoammonium salt water/DMF solvate","","- C51 H99.06 N4 O25.53 -","- C51 H98 N4 O25.52 -","- C204 H392 N16 O102.08 -","4","1","","Tykarska, Ewa; Dutkiewicz, Zbigniew; Baranowski, Daniel; Gdaniec, Zofia; Gdaniec, Maria","Effect of Neighbors on the Conformational Preferences of Glycosidic Linkages in Glycyrrhizic Acid and Its Mono- and Dideprotonated Forms: X-ray, NMR, and Computational Studies","Crystal Growth & Design","2014","14","11","5871","","10.1021/cg5010962","","","1.54184","CuKα","","0.0967","0.0951","","","0.2624","0.2639","","","","","","1.078","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512144","8.991","0.002","11.589","0.003","13.497","0.004","92.145","0.006","101.517","0.006","97.816","0.006","1362.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N3 O14 U -","- C26 H17 N3 O14 U -","- C52 H34 N6 O28 U2 -","2","1","","Yang, Weiting; Tian, Wan-Guo; Liu, Xiao-Xiao; Wang, Lei; Sun, Zhong-Ming","Syntheses, Structures, Luminescence, and Photocatalytic Properties of a Series of Uranyl Coordination Polymers","Crystal Growth & Design","2014","14","11","5904","","10.1021/cg501118b","","","0.71073","MoKα","","0.0448","0.037","","","0.0738","0.0778","","","","","","1.027","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512145","12.3655","0.0009","16.4911","0.0012","14.7331","0.001","90","","114.511","0.002","90","","2733.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N4 O12 U -","- C28 H18 N4 O12 U -","- C112 H72 N16 O48 U4 -","4","1","","Yang, Weiting; Tian, Wan-Guo; Liu, Xiao-Xiao; Wang, Lei; Sun, Zhong-Ming","Syntheses, Structures, Luminescence, and Photocatalytic Properties of a Series of Uranyl Coordination Polymers","Crystal Growth & Design","2014","14","11","5904","","10.1021/cg501118b","","","0.71073","MoKα","","0.0694","0.0417","","","0.0798","0.09","","","","","","0.969","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512146","11.0082","0.0007","11.9635","0.0008","12.6607","0.0008","87.187","0.001","64.968","0.001","71.5","0.001","1425.63","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N4 O14 U -","- C26 H22 N4 O14 U -","- C52 H44 N8 O28 U2 -","2","1","","Yang, Weiting; Tian, Wan-Guo; Liu, Xiao-Xiao; Wang, Lei; Sun, Zhong-Ming","Syntheses, Structures, Luminescence, and Photocatalytic Properties of a Series of Uranyl Coordination Polymers","Crystal Growth & Design","2014","14","11","5904","","10.1021/cg501118b","","","0.71073","MoKα","","0.0518","0.0413","","","0.0939","0.0991","","","","","","1.046","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512147","11.408","0.002","32.504","0.006","12.62","0.003","90","","93.819","0.004","90","","4669.2","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H33 N10 O14 U -","- C46 H33 N10 O14 U -","- C184 H132 N40 O56 U4 -","4","1","","Yang, Weiting; Tian, Wan-Guo; Liu, Xiao-Xiao; Wang, Lei; Sun, Zhong-Ming","Syntheses, Structures, Luminescence, and Photocatalytic Properties of a Series of Uranyl Coordination Polymers","Crystal Growth & Design","2014","14","11","5904","","10.1021/cg501118b","","","0.71073","MoKα","","0.0694","0.0453","","","0.1264","0.1416","","","","","","1.018","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512148","15.8932","0.0012","9.6528","0.0007","20.5316","0.0016","90","","99.859","0.002","90","","3103.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 O16 U2 -","- C26 H22 N4 O16 U2 -","- C104 H88 N16 O64 U8 -","4","1","","Yang, Weiting; Tian, Wan-Guo; Liu, Xiao-Xiao; Wang, Lei; Sun, Zhong-Ming","Syntheses, Structures, Luminescence, and Photocatalytic Properties of a Series of Uranyl Coordination Polymers","Crystal Growth & Design","2014","14","11","5904","","10.1021/cg501118b","","","0.71073","MoKα","","0.0812","0.0408","","","0.07","0.0834","","","","","","0.972","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512149","30.514","0.002","7.756","0.0006","18.6624","0.0015","90","","105.407","0.002","90","","4258","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 F2 N4 O13 U2 -","- C46 H32 F2 N4 O13 U2 -","- C184 H128 F8 N16 O52 U8 -","4","0.5","","Yang, Weiting; Tian, Wan-Guo; Liu, Xiao-Xiao; Wang, Lei; Sun, Zhong-Ming","Syntheses, Structures, Luminescence, and Photocatalytic Properties of a Series of Uranyl Coordination Polymers","Crystal Growth & Design","2014","14","11","5904","","10.1021/cg501118b","","","0.71073","MoKα","","0.0566","0.0387","","","0.0692","0.0754","","","","","","1.004","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512150","11.0172","0.0011","16.2","0.0017","20.163","0.002","90","","92.525","0.001","90","","3595.2","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cd3 Cl6 N6 -","- C24 H22 Cd3 Cl6 N6 -","- C96 H88 Cd12 Cl24 N24 -","4","1","","Ou, Yan-Jun; Zheng, Zhi-Peng; Hong, Xu-Jia; Wan, Lin-Tao; Wei, Lei-Ming; Lin, Xiao-Ming; Cai, Yue-Peng","CdII-Mediated Efficient Synthesis and Complexation of Asymmetric Tetra-(2-pyridine)-Substituted Imidazolidine","Crystal Growth & Design","2014","14","11","5339","","10.1021/cg500910z","","","0.71073","MoKα","","0.0517","0.0326","","","0.0617","0.0665","","","","","","0.97","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512151","11.0183","0.0008","12.7649","0.0009","21.2456","0.0015","90","","97.561","0.001","90","","2962.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cd2 Cl3 N7 S -","- C25 H22 Cd2 Cl3 N7 S -","- C100 H88 Cd8 Cl12 N28 S4 -","4","1","","Ou, Yan-Jun; Zheng, Zhi-Peng; Hong, Xu-Jia; Wan, Lin-Tao; Wei, Lei-Ming; Lin, Xiao-Ming; Cai, Yue-Peng","CdII-Mediated Efficient Synthesis and Complexation of Asymmetric Tetra-(2-pyridine)-Substituted Imidazolidine","Crystal Growth & Design","2014","14","11","5339","","10.1021/cg500910z","","","0.71073","MoKα","","0.0547","0.0339","","","0.0698","0.0789","","","","","","1.032","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512152","9.6448","0.001","20.427","0.002","32.039","0.003","90","","90.806","0.002","90","","6311.5","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 Cd2 N10 O13 -","- C25 H26 Cd2 N10 O13 -","- C200 H208 Cd16 N80 O104 -","8","1","","Ou, Yan-Jun; Zheng, Zhi-Peng; Hong, Xu-Jia; Wan, Lin-Tao; Wei, Lei-Ming; Lin, Xiao-Ming; Cai, Yue-Peng","CdII-Mediated Efficient Synthesis and Complexation of Asymmetric Tetra-(2-pyridine)-Substituted Imidazolidine","Crystal Growth & Design","2014","14","11","5339","","10.1021/cg500910z","","","0.71073","MoKα","","0.0476","0.0328","","","0.0659","0.0731","","","","","","1.038","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512153","11.945","0.0016","35.741","0.005","9.9283","0.0014","90","","109.203","0.002","90","","4002.8","1","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 H82 Eu4 Na10 O80 W8 -","- C4 Eu4 Na6 O76 W8 -","- C8 Eu8 Na12 O152 W16 -","2","0.25","","Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan","Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties","Crystal Growth & Design","2014","14","11","5495","","10.1021/cg500675g","","","0.71073","MoKα","","0.0637","0.0533","","","0.1538","0.1619","","","","","","1.1","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512154","11.8885","0.0009","35.367","0.003","9.8398","0.0007","90","","109.194","0.001","90","","3907.3","0.5","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 H82 Ho4 Na10 O80 W8 -","- C4 Ho4 Na6 O76 W8 -","- C8 Ho8 Na12 O152 W16 -","2","0.25","","Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan","Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties","Crystal Growth & Design","2014","14","11","5495","","10.1021/cg500675g","","","0.71073","MoKα","","0.042","0.0388","","","0.1075","0.1097","","","","","","1.093","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512155","11.9139","0.0005","35.3632","0.0017","9.8539","0.0005","90","","109.172","0.001","90","","3921.3","0.3","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 H82 Er4 Na10 O80 W8 -","- C4 Er4 Na6 O76 W8 -","- C8 Er8 Na12 O152 W16 -","2","0.25","","Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan","Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties","Crystal Growth & Design","2014","14","11","5495","","10.1021/cg500675g","","","0.71073","MoKα","","0.04","0.0368","","","0.1073","0.1098","","","","","","1.082","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512156","11.9039","0.001","35.504","0.003","9.8808","0.0009","90","","109.218","0.001","90","","3943.3","0.6","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 H82 Na10 O80 Tb4 W8 -","- C4 Na6 O76 Tb4 W8 -","- C8 Na12 O152 Tb8 W16 -","2","0.25","","Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan","Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties","Crystal Growth & Design","2014","14","11","5495","","10.1021/cg500675g","","","0.71073","MoKα","","0.0561","0.0518","","","0.1386","0.1419","","","","","","1.066","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512157","9.9166","0.0005","19.4656","0.001","19.469","0.001","106.204","0.001","93.064","0.001","95.357","0.001","3580.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H120 Eu4 K4 Na16 O148 W20 -","- C8 Eu4 K4 Na16 O148 W20 -","- C8 Eu4 K4 Na16 O148 W20 -","1","0.5","","Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan","Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties","Crystal Growth & Design","2014","14","11","5495","","10.1021/cg500675g","","","0.71073","MoKα","","0.0566","0.0402","","","0.0976","0.1039","","","","","","1.054","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512158","9.9269","0.0014","19.319","0.003","19.35","0.003","106.232","0.002","92.914","0.003","95.152","0.002","3537.4","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H120 Ho4 K4 Na16 O148 W20 -","- C8 Ho4 K4 Na16 O148 W20 -","- C8 Ho4 K4 Na16 O148 W20 -","1","0.5","","Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan","Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties","Crystal Growth & Design","2014","14","11","5495","","10.1021/cg500675g","","","0.71073","MoKα","","0.0652","0.0471","","","0.1184","0.1256","","","","","","1.054","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512159","9.898","0.003","19.218","0.005","19.257","0.005","106.25","0.004","92.812","0.005","95.174","0.004","3491.8","1.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H120 Er4 K4 Na16 O148 W20 -","- C8 Er4 K4 Na16 O148 W20 -","- C8 Er4 K4 Na16 O148 W20 -","1","0.5","","Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan","Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties","Crystal Growth & Design","2014","14","11","5495","","10.1021/cg500675g","","","0.71073","MoKα","","0.0677","0.0485","","","0.1381","0.1514","","","","","","1.03","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512160","10.015","0.007","19.598","0.013","19.64","0.014","106.185","0.01","92.996","0.011","95.207","0.011","3675","4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H120 K4 Na16 O148 Tb4 W20 -","- C8 K4 Na16 O148 Tb4 W20 -","- C8 K4 Na16 O148 Tb4 W20 -","1","0.5","","Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan","Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties","Crystal Growth & Design","2014","14","11","5495","","10.1021/cg500675g","","","0.71073","MoKα","","0.0891","0.0612","","","0.1482","0.1615","","","","","","1.009","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512161","24.6399","0.0015","6.8871","0.0002","21.5833","0.001","90","","118.098","0.006","90","","3231","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H33 N O14 P4 -","- C30 H33 N O14 P4 -","- C120 H132 N4 O56 P16 -","4","0.5","","Zaręba, Jan K.; Białek, Michał J.; Janczak, Jan; Zoń, Jerzy; Dobosz, Agnieszka","Extending the Family of Tetrahedral Tectons: Phenyl Embraces in Supramolecular Polymers of Tetraphenylmethane-based Tetraphosphonic Acid Templated by Organic Bases","Crystal Growth & Design","2014","14","11","6143","","10.1021/cg501348g","","","0.71073","MoKα","","0.0613","0.0364","","","0.0918","0.1075","","","","","","1.025","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512162","16.8962","0.0008","16.8962","0.0008","7.2119","0.0008","90","","90","","90","","2058.9","0.3","295","2","295","2","","","","","","","","5","I -4","I -4","82","","","","- C45 H40 N4 O12 P4 -","- C45 H40 N4 O12 P4 -","- C90 H80 N8 O24 P8 -","2","0.25","","Zaręba, Jan K.; Białek, Michał J.; Janczak, Jan; Zoń, Jerzy; Dobosz, Agnieszka","Extending the Family of Tetrahedral Tectons: Phenyl Embraces in Supramolecular Polymers of Tetraphenylmethane-based Tetraphosphonic Acid Templated by Organic Bases","Crystal Growth & Design","2014","14","11","6143","","10.1021/cg501348g","","","0.71073","MoKα","","0.1296","0.0577","","","0.0886","0.1164","","","","","","1.007","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512163","28.5639","0.0015","14.5854","0.0005","24.8546","0.001","90","","90.449","0.006","90","","10354.5","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H128 N12 O34 P8 -","- C92 H128 N12 O34 P8 -","- C368 H512 N48 O136 P32 -","4","0.5","","Zaręba, Jan K.; Białek, Michał J.; Janczak, Jan; Zoń, Jerzy; Dobosz, Agnieszka","Extending the Family of Tetrahedral Tectons: Phenyl Embraces in Supramolecular Polymers of Tetraphenylmethane-based Tetraphosphonic Acid Templated by Organic Bases","Crystal Growth & Design","2014","14","11","6143","","10.1021/cg501348g","","","0.71073","MoKα","","0.1349","0.0723","","","0.1337","0.165","","","","","","1.056","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512164","12.4393","0.001","13.0786","0.001","15.4598","0.001","78.48","0.006","69.405","0.007","89.5","0.006","2301.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H130 N8 O33 P8 -","- C74 H112 N8 O33 P8 -","- C74 H112 N8 O33 P8 -","1","0.5","","Zaręba, Jan K.; Białek, Michał J.; Janczak, Jan; Zoń, Jerzy; Dobosz, Agnieszka","Extending the Family of Tetrahedral Tectons: Phenyl Embraces in Supramolecular Polymers of Tetraphenylmethane-based Tetraphosphonic Acid Templated by Organic Bases","Crystal Growth & Design","2014","14","11","6143","","10.1021/cg501348g","","","0.71073","MoKα","","0.1897","0.086","","","0.1016","0.1469","","","","","","1.046","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512165","13.597","0.002","13.866","0.002","15.312","0.003","97.82","0.01","110.2","0.02","108.59","0.01","2467.7","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H57 N4 O14 P4 -","- C37 H53 N4 O14 P4 -","- C74 H106 N8 O28 P8 -","2","1","","Zaręba, Jan K.; Białek, Michał J.; Janczak, Jan; Zoń, Jerzy; Dobosz, Agnieszka","Extending the Family of Tetrahedral Tectons: Phenyl Embraces in Supramolecular Polymers of Tetraphenylmethane-based Tetraphosphonic Acid Templated by Organic Bases","Crystal Growth & Design","2014","14","11","6143","","10.1021/cg501348g","","","0.71073","MoKα","","0.1915","0.0748","","","0.1372","0.1647","","","","","","1.01","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512166","28.4097","0.0013","13.197","0.0003","18.5512","0.0007","90","","123.744","0.006","90","","5783.5","0.5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H148 N16 O41 P8 S5 -","- C84 H120 N16 O41 P8 S5 -","- C168 H240 N32 O82 P16 S10 -","2","0.25","","Zaręba, Jan K.; Białek, Michał J.; Janczak, Jan; Zoń, Jerzy; Dobosz, Agnieszka","Extending the Family of Tetrahedral Tectons: Phenyl Embraces in Supramolecular Polymers of Tetraphenylmethane-based Tetraphosphonic Acid Templated by Organic Bases","Crystal Growth & Design","2014","14","11","6143","","10.1021/cg501348g","","","0.71073","MoKα","","0.0863","0.0634","","","0.155","0.1729","","","","","","1.006","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512167","45.611","0.001","45.611","0.001","45.611","0.001","90","","90","","90","","94887","4","150","2","150","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","bis(diazabicyclo[2.2.2]octane)silver(I)perrhenate acetonitrile solvate","","- C20 H36 Ag N8 O4 Re -","- C12 H24 Ag N4 Re1.00235 -","- C1632 H3264 Ag136 N544 Re136.32 -","136","0.708333","","Thorp-Greenwood, Flora L.; Kulak, Alexander N.; Hardie, Michaele J.","Three-Dimensional Silver-dabco Coordination Polymers with Zeolitic or Three-Connected Topology","Crystal Growth & Design","2014","14","11","5361","","10.1021/cg501231v","","","0.71073","MoKα","","0.0996","0.0782","","","0.2352","0.2615","","","","","","1.103","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512168","21.585","0.002","13.4043","0.0014","22.089","0.002","90","","110.814","0.003","90","","5974","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(acetonitrile)bis(diazabicyclo[2.2.2]octane)silver(I) cobalticarborane","","- C30 H86 Ag2 B36 Co2 N8 -","- C30 H86 Ag2 B36 Co2 N8 -","- C120 H344 Ag8 B144 Co8 N32 -","4","1","","Thorp-Greenwood, Flora L.; Kulak, Alexander N.; Hardie, Michaele J.","Three-Dimensional Silver-dabco Coordination Polymers with Zeolitic or Three-Connected Topology","Crystal Growth & Design","2014","14","11","5361","","10.1021/cg501231v","","","0.71073","MoKα","","0.1724","0.158","","","0.4439","0.4523","","","","","","1.094","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512169","45.826","0.003","45.826","0.003","45.826","0.003","90","","90","","90","","96236","11","150","2","150","2","","","","","","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","bis(diazabicyclo[2.2.2]octane)silver(I) tetrafluroborate acetonitrile solvate","","- C22 H41 Ag B F4 N9 O -","- C12 H24 Ag N4 -","- C1632 H3264 Ag136 N544 -","136","0.708333","","Thorp-Greenwood, Flora L.; Kulak, Alexander N.; Hardie, Michaele J.","Three-Dimensional Silver-dabco Coordination Polymers with Zeolitic or Three-Connected Topology","Crystal Growth & Design","2014","14","11","5361","","10.1021/cg501231v","","","0.71073","MoKα","","0.0881","0.0758","","","0.1998","0.2065","","","","","","1.145","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512170","19.4476","0.0007","19.4476","0.0007","24.1299","0.0008","90","","90","","90","","9126.1","0.6","173","2","173","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C20 H14 Cu3 O15.75 -","- C19 H11 Cu3 O16.75 -","- C152 H88 Cu24 O134 -","8","0.5","","Cai, Yang; Kulkarni, Ambarish R.; Huang, You-Gui; Sholl, David S.; Walton, Krista S.","Control of Metal‒Organic Framework Crystal Topology by Ligand Functionalization: Functionalized HKUST-1 Derivatives","Crystal Growth & Design","2014","14","11","6122","","10.1021/cg501285q","","","0.71069","MoKα","","0.1487","0.1147","","","0.3175","0.3555","","","","","","1.242","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512171","15.1342","0.0004","28.3983","0.0007","9.3718","0.0003","90","","90","","90","","4027.86","0.19","90","","90","","","","","","","","","4","P n m a","-P 2ac 2n","62","SCID_90K","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order‒Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71073","MoKα","","0.0523","0.041","","","0.1018","0.1094","","","","","","1.022","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512172","15.1497","0.0004","28.4586","0.0008","9.3889","0.0002","90","","90","","90","","4047.92","0.18","120","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","SCID_120K","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order‒Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71073","MoKα","","0.0462","0.0411","","","0.118","0.1229","","","","","","1.079","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512173","15.3","0.0004","28.9002","0.0007","9.3993","0.0002","90","","90","","90","","4156.12","0.17","160","","160","","","","","","","","","4","P n m a","-P 2ac 2n","62","SCID_160K","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order‒Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71073","MoKα","","0.0747","0.06","","","0.1649","0.1805","","","","","","1.044","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512174","15.3886","0.0008","29.0676","0.0015","9.421","0.0005","90","","90","","90","","4214.1","0.4","200","","200","","","","","","","","","4","P n m a","-P 2ac 2n","62","SCID_200K","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order‒Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71073","MoKα","","0.0841","0.0697","","","0.2047","0.2206","","","","","","1.03","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512175","15.185","0.002","28.522","0.006","9.4017","0.0017","90","","90","","90","","4071.9","1.3","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order‒Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71075","MoKα","","0.0551","0.0419","","","0.1014","0.107","","","","","","1.059","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512176","15.292","0.002","28.88","0.005","9.3947","0.0015","90","","90","","90","","4149","1.1","163","2","163","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order‒Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71075","MoKα","","0.0739","0.0532","","","0.1304","0.1403","","","","","","1.055","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512177","16.2665","0.0002","16.2665","0.0002","17.0945","0.0005","90","","90","","120","","3917.2","0.13","293","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C36 H72 Br3 Li3 O36 -","- C36 H72 Br3 Li3 O36 -","- C108 H216 Br9 Li9 O108 -","3","1","","Duggirala, Naga Kiran; Smith, Adam J.; Wojtas, Łukasz; Shytle, R. Douglas; Zaworotko, Michael J.","Physical Stability Enhancement and Pharmacokinetics of a Lithium Ionic Cocrystal with Glucose","Crystal Growth & Design","2014","14","11","6135","","10.1021/cg501310d","","","1.54178","CuKα","","0.0366","0.0341","","","0.0771","0.0782","","","","","","1.044","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512178","15.893","0.006","5.1595","0.0019","14.731","0.005","90","","116.161","0.003","90","","1084.2","0.7","140","1","140","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N4 O12 -","- C4 H6 N4 O12 -","- C16 H24 N16 O48 -","4","1","","Manner, Virginia W.; Tappan, Bryce C.; Scott, Brian L.; Preston, Daniel N.; Brown, Geoffrey W.","Crystal Structure, Packing Analysis, and Structural-Sensitivity Correlations of Erythritol Tetranitrate","Crystal Growth & Design","2014","14","11","6154","","10.1021/cg501362b","","","0.71073","MoKα","","0.0426","0.0357","","","0.0965","0.1026","","","","","","1.21","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512179","14.4188","0.0011","9.2474","0.0007","25.0399","0.0018","90","","90","","90","","3338.7","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-pyrazolidineacetic acid, 2-ethyl-5-oxo-α- [[(phenylmethoxy)carbonyl]amino]- methyl ester, (αR,3S)-rel","","- C16 H21 N3 O5 -","- C16 H21 N3 O5 -","- C128 H168 N24 O40 -","8","2","","Lo Presti, Leonardo; Sist, Mattia; Loconte, Laura; Pinto, Andrea; Tamborini, Lucia; Gatti, Carlo","Rationalizing the Lacking of Inversion Symmetry in a Noncentrosymmetric Polar Racemate: An Experimental and Theoretical Study","Crystal Growth & Design","2014","14","11","5822","","10.1021/cg501074x","","","0.71073","MoKα","","0.034","0.02","","","","0.043","0.022","","","","","1.142","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512180","5.10172","0.00016","5.5566","0.00017","22.0587","0.0007","90","","94.731","0.003","90","","623.19","0.03","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","o-fluorophenylboronic acid","2-fluorophenylboronic acid","","- C6 H6 B F O2 -","- C6 H6 B F O2 -","- C24 H24 B4 F4 O8 -","4","1","","Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika","Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals","Crystal Growth & Design","2014","14","11","5912","","10.1021/cg501132d","","","1.54184","CuKα","","0.0354","0.0343","","","0.092","0.093","","","","","","1.088","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512181","8.96573","0.00017","4.9573","0.00008","29.717","0.0005","90","","97.5927","0.0016","90","","1309.22","0.04","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","o,m-difluorophenylboronic acid","2,3-difluorophenylboronic acid","","- C6 H5 B F2 O2 -","- C6 H5 B F2 O2 -","- C48 H40 B8 F16 O16 -","8","2","","Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika","Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals","Crystal Growth & Design","2014","14","11","5912","","10.1021/cg501132d","","","1.54184","CuKα","","0.0327","0.0304","","","0.0826","0.0852","","","","","","1.057","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512182","5.02719","0.00016","5.39423","0.00015","23.2334","0.0007","90","","91.897","0.003","90","","629.69","0.03","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diorthofluorophenylboronic acid","2,6-difluorophenylboronic acid","","- C6 H5 B F2 O2 -","- C6 H5 B F2 O2 -","- C24 H20 B4 F8 O8 -","4","1","","Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika","Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals","Crystal Growth & Design","2014","14","11","5912","","10.1021/cg501132d","","","1.54184","CuKα","","0.0361","0.0324","","","0.0845","0.0875","","","","","","1.05","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512183","4.3762","0.0003","5.0241","0.0003","15.6401","0.0011","96.483","0.006","94.143","0.006","92.835","0.006","340.2","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","o,m,p-trifluorophenylboronic acid","2,3,4-trifluorophenylboronic acid","","- C6 H4 B F3 O2 -","- C6 H4 B F3 O2 -","- C12 H8 B2 F6 O4 -","2","1","","Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika","Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals","Crystal Growth & Design","2014","14","11","5912","","10.1021/cg501132d","","","1.54184","CuKα","","0.034","0.0309","","","0.0856","0.0878","","","","","","1.108","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512184","5.00301","0.0001","5.33367","0.0001","24.2178","0.0004","90","","90.2585","0.0017","90","","646.23","0.02","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","o,o,p-trifluorophenylboronic acid","2,4,6-trifluorophenylboronic acid","","- C6 H4 B F3 O2 -","- C6 H4 B F3 O2 -","- C24 H16 B4 F12 O8 -","4","1","","Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika","Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals","Crystal Growth & Design","2014","14","11","5912","","10.1021/cg501132d","","","1.54184","CuKα","","0.0286","0.0282","","","0.0785","0.0789","","","","","","1.087","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512185","4.15299","0.00007","5.11382","0.00009","30.7324","0.0005","90","","90.0696","0.0014","90","","652.683","0.019","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,5-difluorophenylboronic acid","","- C6 H5 B F2 O2 -","- C6 H5 B F2 O2 -","- C24 H20 B4 F8 O8 -","4","1","","Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika","Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals","Crystal Growth & Design","2014","14","11","5912","","10.1021/cg501132d","","x-ray","1.54184","CuKα","","0.0311","0.0309","","","0.0844","0.0846","","","","","","1.108","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512186","4.9578","0.0004","5.5256","0.0004","23.484","0.002","90","","93.974","0.008","90","","641.79","0.09","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5-difluorophenylboronic acid","","- C6 H5 B F2 O2 -","- C6 H5 B F2 O2 -","- C24 H20 B4 F8 O8 -","4","1","","Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika","Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals","Crystal Growth & Design","2014","14","11","5912","","10.1021/cg501132d","","x-ray","1.54184","CuKα","","0.0503","0.0466","","","0.1364","0.1398","","","","","","1.134","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512187","3.67926","0.00011","12.2868","0.0004","14.3179","0.0004","90","","93.057","0.003","90","","646.34","0.03","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-difluorophenylboronic acid","","- C6 H5 B F2 O2 -","- C6 H5 B F2 O2 -","- C24 H20 B4 F8 O8 -","4","1","","Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika","Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals","Crystal Growth & Design","2014","14","11","5912","","10.1021/cg501132d","","x-ray","1.54184","CuKα","","0.0412","0.0357","","","0.0914","0.0948","","","","","","1.086","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512188","13.5883","0.0009","13.5883","0.0009","17.9216","0.0014","90","","90","","90","","3309.1","0.4","293","2","293","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C28 H20 Br2 Cu5 N16 O4 P -","- C28 H20 Br2 Cu5 N16 O4 P -","- C112 H80 Br8 Cu20 N64 O16 P4 -","4","0.25","","Qi, Zhi-Kai; Liu, Jun-Liang; Hou, Juan-Juan; Liu, Min-Min; Zhang, Xian-Ming","Planar Cu2(ppz)2Dimers as SBUs for Diverse Polyoxometalate-Based Metal Organic Frameworks","Crystal Growth & Design","2014","14","11","5773","","10.1021/cg5010402","","","0.71073","MoKα","","0.0785","0.0608","","","0.169","0.1827","","","","","","1.072","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512189","10.4861","0.0005","13.2319","0.0005","13.5177","0.0006","99.295","0.003","95.298","0.004","93.921","0.003","1836.43","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Cu4 Mo2 N16 O11 -","- C28 H22 Cu4 Mo2 N16 O11 -","- C56 H44 Cu8 Mo4 N32 O22 -","2","1","","Qi, Zhi-Kai; Liu, Jun-Liang; Hou, Juan-Juan; Liu, Min-Min; Zhang, Xian-Ming","Planar Cu2(ppz)2Dimers as SBUs for Diverse Polyoxometalate-Based Metal Organic Frameworks","Crystal Growth & Design","2014","14","11","5773","","10.1021/cg5010402","","","0.71073","MoKα","","0.0762","0.0491","","","0.101","0.1166","","","","","","1.016","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512190","5.129","0.0003","9.7697","0.0008","12.5421","0.0011","110.797","0.008","93.722","0.006","90.436","0.006","585.97","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H6 Cu Mo2 N4 O7 -","- C7 H6 Cu Mo2 N4 O7 -","- C14 H12 Cu2 Mo4 N8 O14 -","2","1","","Qi, Zhi-Kai; Liu, Jun-Liang; Hou, Juan-Juan; Liu, Min-Min; Zhang, Xian-Ming","Planar Cu2(ppz)2Dimers as SBUs for Diverse Polyoxometalate-Based Metal Organic Frameworks","Crystal Growth & Design","2014","14","11","5773","","10.1021/cg5010402","","","0.71073","MoKα","","0.0456","0.0363","","","0.0822","0.0893","","","","","","1.035","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512191","22.687","0.0018","14.7113","0.0008","13.6766","0.001","90","","113.038","0.008","90","","4200.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 Cu2 Mo3 N8 O10 -","- C14 H10 Cu2 Mo3 N8 O10 -","- C112 H80 Cu16 Mo24 N64 O80 -","8","1","","Qi, Zhi-Kai; Liu, Jun-Liang; Hou, Juan-Juan; Liu, Min-Min; Zhang, Xian-Ming","Planar Cu2(ppz)2Dimers as SBUs for Diverse Polyoxometalate-Based Metal Organic Frameworks","Crystal Growth & Design","2014","14","11","5773","","10.1021/cg5010402","","","0.71073","MoKα","","0.1029","0.0534","","","0.0789","0.0959","","","","","","1.002","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512192","17.7586","0.0005","17.7586","0.0005","19.6912","0.0006","90","","90","","120","","5378","0.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H30 Cu6 Mo12 N24 O40 P -","- C42 H30 Cu6 Mo12 N24 O40 P -","- C126 H90 Cu18 Mo36 N72 O120 P3 -","3","0.166667","","Qi, Zhi-Kai; Liu, Jun-Liang; Hou, Juan-Juan; Liu, Min-Min; Zhang, Xian-Ming","Planar Cu2(ppz)2Dimers as SBUs for Diverse Polyoxometalate-Based Metal Organic Frameworks","Crystal Growth & Design","2014","14","11","5773","","10.1021/cg5010402","","","0.71073","MoKα","","0.0361","0.0316","","","0.0745","0.0763","","","","","","1.152","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512193","14.1567","0.0004","7.4304","0.0002","8.4823","0.0003","90","","90","","90","","892.25","0.05","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H6 Br2 O -","- C9 H6 Br2 O -","- C36 H24 Br8 O4 -","4","0.5","","Pavan, Mysore Srinivas; Pal, Rumpa; Nagarajan, K.; Guru Row, Tayur N.","Characterization of Interactions Involving Bromine in 2,2-Dibromo-2,3-dihydroinden-1-one via Experimental Charge Density Analysis","Crystal Growth & Design","2014","14","11","5477","","10.1021/cg500659c","","","0.71073","MoKα","","0.0512","0.0265","","","0.0511","0.0582","","","","","","1.042","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512194","6.8826","0.0003","9.9286","0.0011","14.9213","0.0016","87.899","0.009","79.461","0.007","81.747","0.007","992","0.16","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 Cl2 N4 -","- C22 H14 Cl2 N4 -","- C44 H28 Cl4 N8 -","2","1","","Das, Paramita; Chaudhuri, Tandrima; Mukhopadhyay, Chhanda","Pseudo-five-component domino strategy for the combinatorial library synthesis of [1,6] naphthyridines-an on-water approach.","ACS combinatorial science","2014","16","11","606","613","10.1021/co400162m","","","1.54184","CuKα","","0.0776","0.0698","","","0.2099","0.2315","","","","","","1.13","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512195","9.9246","0.0004","19.2913","0.0006","9.2604","0.0004","90","","115.353","0.005","90","","1602.22","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N4 S2 -","- C18 H12 N4 S2 -","- C72 H48 N16 S8 -","4","1","","Das, Paramita; Chaudhuri, Tandrima; Mukhopadhyay, Chhanda","Pseudo-five-component domino strategy for the combinatorial library synthesis of [1,6] naphthyridines-an on-water approach.","ACS combinatorial science","2014","16","11","606","613","10.1021/co400162m","","","1.54184","CuKα","","0.0647","0.052","","","0.1404","0.1537","","","","","","1.052","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512196","24.3833","0.0015","10.9507","0.0006","21.0261","0.0015","90","","102.648","0.003","90","","5478","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N4 O2 S -","- C30 H26 N4 O2 S -","- C240 H208 N32 O16 S8 -","8","1","","Das, Paramita; Chaudhuri, Tandrima; Mukhopadhyay, Chhanda","Pseudo-five-component domino strategy for the combinatorial library synthesis of [1,6] naphthyridines-an on-water approach.","ACS combinatorial science","2014","16","11","606","613","10.1021/co400162m","","","0.71073","MoKα","","0.0656","0.0484","","","0.1454","0.1655","","","","","","0.939","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512197","11.1947","0.0004","6.8437","0.0003","31.9454","0.0012","90","","99.735","0.001","90","","2412.2","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl2 N4 O -","- C28 H20 Cl2 N4 O -","- C112 H80 Cl8 N16 O4 -","4","1","","Das, Paramita; Chaudhuri, Tandrima; Mukhopadhyay, Chhanda","Pseudo-five-component domino strategy for the combinatorial library synthesis of [1,6] naphthyridines-an on-water approach.","ACS combinatorial science","2014","16","11","606","613","10.1021/co400162m","","","0.71073","MoKα","","0.0728","0.0548","","","0.2231","0.2499","","","","","","1.002","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512198","9.6487","0.0015","16.249","0.003","14.644","0.002","90","","101.272","0.002","90","","2251.6","0.6","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C13 H9 Mn N2 O15 P3 U2 -","- C13 H9 Mn N2 O15 P3 U2 -","- C52 H36 Mn4 N8 O60 P12 U8 -","4","1","","Adelani, Pius O.; Cook, Nathaniel D.; Burns, Peter C.","Use of 2,2-Bipyrimidine for the Preparation of UO22±3d Diphosphonates","Crystal Growth & Design","2014","14","11","5692","","10.1021/cg500972w","","","0.71073","MoKα","","0.0334","0.0227","","","0.0549","0.0595","","","","","","1.182","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512199","9.961","0.003","11.128","0.003","14.199","0.004","107.204","0.004","90.137","0.004","115.826","0.004","1337.5","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H24 N8 Ni2 O32 P6 U3 -","- C34 H24 N8 Ni2 O32 P6 U3 -","- C34 H24 N8 Ni2 O32 P6 U3 -","1","0.5","","Adelani, Pius O.; Cook, Nathaniel D.; Burns, Peter C.","Use of 2,2-Bipyrimidine for the Preparation of UO22±3d Diphosphonates","Crystal Growth & Design","2014","14","11","5692","","10.1021/cg500972w","","","0.71073","MoKα","","0.0849","0.0504","","","0.0922","0.1053","","","","","","0.986","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512200","9.647","0.003","10.238","0.003","12.115","0.004","74.141","0.015","77.673","0.015","69.499","0.014","1068.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H9 N2 O11 P3 U Zn -","- C13 H9 N2 O11 P3 U Zn -","- C26 H18 N4 O22 P6 U2 Zn2 -","2","1","","Adelani, Pius O.; Cook, Nathaniel D.; Burns, Peter C.","Use of 2,2-Bipyrimidine for the Preparation of UO22±3d Diphosphonates","Crystal Growth & Design","2014","14","11","5692","","10.1021/cg500972w","","","0.71073","MoKα","","0.0485","0.0378","","","0.0786","0.0838","","","","","","1.051","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512201","7.3706","0.0002","19.8583","0.0005","13.9888","0.0003","90","","90.619","0.002","90","","2047.39","0.09","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","estra-1,3,5(10)-triene-3,17-diol(17?)-17-pentanoate","","","- C23 H32 O3 -","- C23 H32 O3 -","- C92 H128 O12 -","4","2","","Ellena, Javier; de Paula, Karina; de Melo, Cristiane C.; da Silva, Cecília C. P.; Bezerra, Beatriz P.; Venâncio, Tiago; Ayala, Alejandro P.","Temperature-Driven Isosymmetric Reversible Phase Transition of the Hormone Estradiol 17β Valerate","Crystal Growth & Design","2014","14","11","5700","","10.1021/cg500974r","","x-ray","1.54178","CuKα","","0.069","0.0573","","","0.1552","0.1649","","","","","","1.045","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4512202","7.5539","0.0012","18.667","0.003","14.092","0.002","90","","90.402","0.008","90","","1987","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","estra-1,3,5(10)-triene-3,17-diol(17?)-17-pentanoate","","","- C23 H32 O3 -","- C23 H32 O3 -","- C92 H128 O12 -","4","2","","Ellena, Javier; de Paula, Karina; de Melo, Cristiane C.; da Silva, Cecília C. P.; Bezerra, Beatriz P.; Venâncio, Tiago; Ayala, Alejandro P.","Temperature-Driven Isosymmetric Reversible Phase Transition of the Hormone Estradiol 17β Valerate","Crystal Growth & Design","2014","14","11","5700","","10.1021/cg500974r","","","1.54178","CuKα","","0.0421","0.0381","","","","0.1046","","","","","","1.142","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512203","7.9822","0.0003","14.5859","0.0005","6.6663","0.0003","90","","110.126","0.005","90","","728.75","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methyl-N-2-nitrophenylaniline","","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","Gajda, Katarzyna; Daszkiewicz, Zdzisław; Kozubek, Ewelina; Ejsmont, Krzysztof; Zarychta, Bartosz","Theoretical Multipolar Atom Model Transfer in Nitro-Derivatives ofN-Methylaniline","Crystal Growth & Design","2014","14","11","5737","","10.1021/cg500984p","","","0.71073","MoKα","","0.0376","0.0314","","","0.0891","0.0915","","","","","","1.094","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512204","6.9742","0.0007","12.7802","0.0013","8.293","0.0008","90","","104.76","0.01","90","","714.78","0.13","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methyl-N-3-nitrophenylaniline","","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","Gajda, Katarzyna; Daszkiewicz, Zdzisław; Kozubek, Ewelina; Ejsmont, Krzysztof; Zarychta, Bartosz","Theoretical Multipolar Atom Model Transfer in Nitro-Derivatives ofN-Methylaniline","Crystal Growth & Design","2014","14","11","5737","","10.1021/cg500984p","","","0.71073","MoKα","","0.0781","0.039","","","0.0859","0.0943","","","","","","0.856","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512205","9.9223","0.0008","6.8557","0.0005","10.7606","0.0009","90","","103.304","0.008","90","","712.34","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-methyl-N-3-nitrophenylaniline","","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","Gajda, Katarzyna; Daszkiewicz, Zdzisław; Kozubek, Ewelina; Ejsmont, Krzysztof; Zarychta, Bartosz","Theoretical Multipolar Atom Model Transfer in Nitro-Derivatives ofN-Methylaniline","Crystal Growth & Design","2014","14","11","5737","","10.1021/cg500984p","","","0.71073","MoKα","","0.0609","0.0325","","","0.0723","0.0788","","","","","","0.857","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512206","18.1041","0.0002","18.1041","0.0002","16.4374","0.0005","90","","90","","90","","5387.5","0.18","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C40 H40 Cl N6 Nd O10 -","- C40 H40 Cl N6 Nd O10 -","- C160 H160 Cl4 N24 Nd4 O40 -","4","0.5","","Sun, Jing-Wen; Zhu, Jing; Song, Hui-Feng; Li, Guang-Ming; Yao, Xu; Yan, Peng-Fei","Spontaneous Resolution of Racemic Salen-Type Ligand in the Construction of 3D Homochiral Lanthanide Frameworks","Crystal Growth & Design","2014","14","11","5356","","10.1021/cg501211f","","","0.71073","MoKα","","0.0506","0.0411","","","0.1186","0.1245","","","","","","1.096","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512207","18.1798","0.0002","18.1798","0.0002","16.4174","0.0003","90","","90","","90","","5426.03","0.13","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C40 H40 Cl La N6 O10 -","- C40 H40 Cl La N6 O10 -","- C160 H160 Cl4 La4 N24 O40 -","4","0.5","","Sun, Jing-Wen; Zhu, Jing; Song, Hui-Feng; Li, Guang-Ming; Yao, Xu; Yan, Peng-Fei","Spontaneous Resolution of Racemic Salen-Type Ligand in the Construction of 3D Homochiral Lanthanide Frameworks","Crystal Growth & Design","2014","14","11","5356","","10.1021/cg501211f","","","0.71073","MoKα","","0.0591","0.0457","","","0.1151","0.1222","","","","","","1.061","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512208","18.216","0.003","18.216","0.003","16.483","0.003","90","","90","","90","","5469.4","1.6","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C40 H44 Ce Cl N6 O10 -","- C40 H44 Ce Cl N6 O10 -","- C160 H176 Ce4 Cl4 N24 O40 -","4","0.5","","Sun, Jing-Wen; Zhu, Jing; Song, Hui-Feng; Li, Guang-Ming; Yao, Xu; Yan, Peng-Fei","Spontaneous Resolution of Racemic Salen-Type Ligand in the Construction of 3D Homochiral Lanthanide Frameworks","Crystal Growth & Design","2014","14","11","5356","","10.1021/cg501211f","","","0.71073","MoKα","","0.0669","0.048","","","0.1111","0.1173","","","","","","1.031","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512209","8.83","0.0014","12.7274","0.0014","12.7974","0.0017","81","0.003","72.859","0.003","72.567","0.002","1307.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H90 O4 -","- C58 H90 O4 -","- C58 H90 O4 -","1","0.5","","Narasimha, Karnati; Jayakannan, Manickam","π-Conjugated polymer anisotropic organogel nanofibrous assemblies for thermoresponsive photonic switches.","ACS applied materials & interfaces","2014","6","21","19385","19396","10.1021/am505479z","","","0.71073","MoKα","","0.1198","0.083","","","0.2228","0.2515","","","","","","1.074","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512210","11.8005","0.0006","12.088","0.0006","18.1433","0.001","101.21","0.002","93.076","0.002","105.213","0.002","2434.7","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H51 B Cl6 Cu N7 O -","- C46 H51 B Cl6 Cu N7 O -","- C92 H102 B2 Cl12 Cu2 N14 O2 -","2","1","","Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J.","Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles","ACS Catalysis","2014","4","11","4215","","10.1021/cs5012519","","","0.71073","MoKα","","0.0634","0.0498","","","0.1445","0.1553","","","","","","1.035","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512211","11.1605","0.0003","13.8447","0.0004","19.6313","0.0004","83.707","0.002","80.497","0.001","79.114","0.002","2928.2","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C16.5 H7 B Br9 Cl Cu N7 S -","- C16.5 H7 B Br9 Cl Cu N7 S -","- C66 H28 B4 Br36 Cl4 Cu4 N28 S4 -","4","2","","Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J.","Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles","ACS Catalysis","2014","4","11","4215","","10.1021/cs5012519","","","0.71073","MoKα","","0.074","0.0388","","","0.0653","0.0731","","","","","","1.009","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512212","7.9337","0.0003","8.6976","0.0003","11.8982","0.0005","110.549","0.002","102.752","0.002","93.549","0.003","741.04","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Corro, Macarena; Besora, Maria; Maya, Celia; Álvarez, Eleuterio; Urbano, Juan; Fructos, Manuel R.; Maseras, Feliu; Pérez, Pedro J.","Catalytic Copper-Mediated Ring Opening and Functionalization of Benzoxazoles","ACS Catalysis","2014","4","11","4215","","10.1021/cs5012519","","","0.71073","MoKα","","0.0532","0.0431","","","0.1031","0.1092","","","","","","1.041","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512213","7.4379","0.0005","14.7017","0.0012","25.1694","0.001","88.492","0.005","87.735","0.004","89.118","0.006","2748.9","0.3","133","4","133","4","","","","","","","","5","P -1","-P 1","2","","","","- C60 H59 N7 O14 Zn2 -","- C60 H59 N7 O14 Zn2 -","- C120 H118 N14 O28 Zn4 -","2","1","","Chen, Di-ming; Zhang, Xiao-ping; Shi, Wei; Cheng, Peng","Tuning Two-Dimensional Layer to Three-Dimensional Pillar-Layered Metal‒Organic Frameworks: Polycatenation and Interpenetration Behaviors","Crystal Growth & Design","2014","14","12","6261","","10.1021/cg500942g","","","0.71073","MoKα","","0.1405","0.1095","","","0.2399","0.2571","","","","","","1.111","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512214","25.124","0.0012","17.0584","0.0005","30.6102","0.0013","90","","113.725","0.005","90","","12010.1","1","129.9","0.14","129.9","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 N6 O10 Zn2 -","- C62 H48 N6 O10 Zn2 -","- C496 H384 N48 O80 Zn16 -","8","1","","Chen, Di-ming; Zhang, Xiao-ping; Shi, Wei; Cheng, Peng","Tuning Two-Dimensional Layer to Three-Dimensional Pillar-Layered Metal‒Organic Frameworks: Polycatenation and Interpenetration Behaviors","Crystal Growth & Design","2014","14","12","6261","","10.1021/cg500942g","","","0.71073","MoKα","","0.0844","0.0603","","","0.1589","0.171","","","","","","1.066","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512215","11.4424","0.0005","15.1352","0.0008","15.2141","0.0009","112.002","0.005","96.433","0.004","98.574","0.004","2374.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H31 N5 O5 Zn -","- C38 H31 N5 O5 Zn -","- C76 H62 N10 O10 Zn2 -","2","1","","Chen, Di-ming; Zhang, Xiao-ping; Shi, Wei; Cheng, Peng","Tuning Two-Dimensional Layer to Three-Dimensional Pillar-Layered Metal‒Organic Frameworks: Polycatenation and Interpenetration Behaviors","Crystal Growth & Design","2014","14","12","6261","","10.1021/cg500942g","","","0.71073","MoKα","","0.0751","0.0585","","","0.1466","0.1568","","","","","","0.974","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512216","10.4498","0.0008","27.907","0.002","13.7828","0.0011","90","","107.875","0.002","90","","3825.4","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cu3 N6 O7 -","- C23 H17 Cu3 N6 O7 -","- C92 H68 Cu12 N24 O28 -","4","1","","Bala, Sukhen; Bhattacharya, Sudeshna; Goswami, Arijit; Adhikary, Amit; Konar, Sanjit; Mondal, Raju","Designing Functional Metal‒Organic Frameworks by Imparting a Hexanuclear Copper-Based Secondary Building Unit Specific Properties: Structural Correlation With Magnetic and Photocatalytic Activity","Crystal Growth & Design","2014","14","12","6391","","10.1021/cg501226v","","","0.71073","MoKα","","0.1515","0.0843","","","0.2191","0.2406","","","","","","1.128","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512217","28.409","0.0008","28.409","0.0008","18.2259","0.0011","90","","90","","120","","12738.9","0.9","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H20 Cu3 N7 O8 -","- C17 H12 Cu3 N7 O8 -","- C306 H216 Cu54 N126 O144 -","18","1","","Bala, Sukhen; Bhattacharya, Sudeshna; Goswami, Arijit; Adhikary, Amit; Konar, Sanjit; Mondal, Raju","Designing Functional Metal‒Organic Frameworks by Imparting a Hexanuclear Copper-Based Secondary Building Unit Specific Properties: Structural Correlation With Magnetic and Photocatalytic Activity","Crystal Growth & Design","2014","14","12","6391","","10.1021/cg501226v","","","0.71073","MoKα","","0.1145","0.0675","","","0.1813","0.2054","","","","","","1.113","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512218","10.1258","0.0011","23.35","0.003","12.4335","0.0014","90","","109.325","0.004","90","","2774.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 Cu6 N14 O16 -","- C50 H44 Cu6 N14 O16 -","- C100 H88 Cu12 N28 O32 -","2","0.5","","Bala, Sukhen; Bhattacharya, Sudeshna; Goswami, Arijit; Adhikary, Amit; Konar, Sanjit; Mondal, Raju","Designing Functional Metal‒Organic Frameworks by Imparting a Hexanuclear Copper-Based Secondary Building Unit Specific Properties: Structural Correlation With Magnetic and Photocatalytic Activity","Crystal Growth & Design","2014","14","12","6391","","10.1021/cg501226v","","","0.71073","MoKα","","0.1897","0.0746","","","0.1702","0.223","","","","","","0.981","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512219","17.966","0.005","27.989","0.005","14.141","0.005","90","0.005","92.381","0.005","90","0.005","7105","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H53 Mn2 N16 O16 -","- C72 H53 Mn2 N16 O16 -","- C288 H212 Mn8 N64 O64 -","4","0.5","","Agarwal, Rashmi A.; Mukherjee, Soumya; Sañudo, E. Carolina; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Gas Adsorption, Magnetism, and Single-Crystal to Single-Crystal Transformation Studies of a Three-Dimensional Mn(II) Porous Coordination Polymer","Crystal Growth & Design","2014","14","11","5585","","10.1021/cg500833s","","","0.71073","MoKα","","0.1219","0.0789","","","0.1986","0.236","","","","","","1.036","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512220","17.107","0.005","17.107","0.005","14.133","0.005","90","0.005","90","0.005","120","0.005","3582","2","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Mn2 N12 O10 -","- C63 H39 Cl0.99 Mn2 N12 O9.96 -","- C126 H78 Cl1.98 Mn4 N24 O19.92 -","2","0.166667","","Agarwal, Rashmi A.; Mukherjee, Soumya; Sañudo, E. Carolina; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Gas Adsorption, Magnetism, and Single-Crystal to Single-Crystal Transformation Studies of a Three-Dimensional Mn(II) Porous Coordination Polymer","Crystal Growth & Design","2014","14","11","5585","","10.1021/cg500833s","","","0.71073","MoKα","","0.1095","0.0897","","","0.2368","0.2519","","","","","","1.078","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512221","17.246","0.005","17.246","0.005","14.135","0.005","90","0.005","90","0.005","120","0.005","3641","2","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Mn2 N12 O6 -","- C63 H39 Cl Mn2 N12 O6 -","- C126 H78 Cl2 Mn4 N24 O12 -","2","0.166667","","Agarwal, Rashmi A.; Mukherjee, Soumya; Sañudo, E. Carolina; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Gas Adsorption, Magnetism, and Single-Crystal to Single-Crystal Transformation Studies of a Three-Dimensional Mn(II) Porous Coordination Polymer","Crystal Growth & Design","2014","14","11","5585","","10.1021/cg500833s","","","0.71073","MoKα","","0.1791","0.1038","","","0.2486","0.2827","","","","","","1.065","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512222","17.485","0.005","17.485","0.005","14.019","0.005","90","0.005","90","0.005","120","0.005","3712","2","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Mn2 N13 O9 -","- C63 H39 Mn2 N13 O9 -","- C126 H78 Mn4 N26 O18 -","2","0.166667","","Agarwal, Rashmi A.; Mukherjee, Soumya; Sañudo, E. Carolina; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Gas Adsorption, Magnetism, and Single-Crystal to Single-Crystal Transformation Studies of a Three-Dimensional Mn(II) Porous Coordination Polymer","Crystal Growth & Design","2014","14","11","5585","","10.1021/cg500833s","","","0.71073","MoKα","","0.0985","0.0597","","","0.1316","0.1466","","","","","","1.098","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512223","17.203","0.005","17.203","0.005","14.045","0.005","90","0.005","90","0.005","120","0.005","3600","2","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C72 H57 Mn2 N13 O15 -","- C72 H57 Mn2 N13 O15 -","- C144 H114 Mn4 N26 O30 -","2","0.166667","","Agarwal, Rashmi A.; Mukherjee, Soumya; Sañudo, E. Carolina; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Gas Adsorption, Magnetism, and Single-Crystal to Single-Crystal Transformation Studies of a Three-Dimensional Mn(II) Porous Coordination Polymer","Crystal Growth & Design","2014","14","11","5585","","10.1021/cg500833s","","","0.71073","MoKα","","0.106","0.0669","","","0.1608","0.1815","","","","","","1.068","","","","has coordinates","288644","2024-01-03","14:50:32",""
"4512224","24.481","0.004","13.201","0.002","20.184","0.003","90","","93.847","0.002","90","","6508.2","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Cl N4 Rh -","- C34 H46 Cl N4 Rh -","- C272 H368 Cl8 N32 Rh8 -","8","2","","Azpíroz, Ramón; Rubio-Pérez, Laura; Di Giuseppe, Andrea; Passarelli, Vincenzo; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Rhodium(I)-N-Heterocyclic Carbene Catalyst for Selective Coupling ofN-Vinylpyrazoles with Alkynes via C‒H Activation","ACS Catalysis","2014","4","12","4244","","10.1021/cs501366q","","","0.71073","MoKα","","0.0719","0.0468","","","0.0802","0.0892","","","","","","1.094","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512225","15.579","0.0011","13.803","0.001","18.6728","0.0013","90","","112.173","0.001","90","","3718.4","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Cl N5 Rh -","- C39 H51 Cl N5 Rh -","- C156 H204 Cl4 N20 Rh4 -","4","1","","Azpíroz, Ramón; Rubio-Pérez, Laura; Di Giuseppe, Andrea; Passarelli, Vincenzo; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Rhodium(I)-N-Heterocyclic Carbene Catalyst for Selective Coupling ofN-Vinylpyrazoles with Alkynes via C‒H Activation","ACS Catalysis","2014","4","12","4244","","10.1021/cs501366q","","","0.71073","MoKα","","0.0499","0.0387","","","0.07","0.0748","","","","","","1.077","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512226","11.27","0.003","15.803","0.002","16.274","0.003","90","","97.169","0.012","90","","2875.7","1","100","2","99.99","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C47 H24 Br2 N2 O8 Zn2 -","- C47 H24 Br2 N2 O8 Zn2 -","- C47 H24 Br2 N2 O8 Zn2 -","1","0.25","","Madrahimov, Sherzod T.; Atesin, Tulay A.; Karagiaridi, Olga; Sarjeant, Amy A.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.","Metal‒Organic Frameworks Containing (Alkynyl)Gold Functionalities: A Comparative Evaluation of Solvent-Assisted Linker Exchange,de NovoSynthesis, and Post-synthesis Modification","Crystal Growth & Design","2014","14","12","6320","","10.1021/cg501066s","","","1.54178","CuKα","","0.1097","0.0807","","","0.2383","0.2556","","","","","","1.05","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512227","9.44471","0.00017","10.38896","0.00019","15.6489","0.0003","77.4892","0.0015","72.8378","0.0016","77.6285","0.0016","1413.55","0.05","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H62 N4 O36 -","- C50 H62 N4 O36 -","- C50 H62 N4 O36 -","1","1","","Chen, Jia-Mei; Li, Song; Lu, Tong-Bu","Pharmaceutical Cocrystals of Ribavirin with Reduced Release Rates","Crystal Growth & Design","2014","14","12","6399","","10.1021/cg501247x","","","1.54178","CuKα","","0.0398","0.0389","","","0.1074","0.1085","","","","","","1.038","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512228","11.0567","0.0002","7.1057","0.0001","11.4404","0.0002","90","","96.913","0.002","90","","892.29","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N4 O11 -","- C15 H20 N4 O11 -","- C30 H40 N8 O22 -","2","1","","Chen, Jia-Mei; Li, Song; Lu, Tong-Bu","Pharmaceutical Cocrystals of Ribavirin with Reduced Release Rates","Crystal Growth & Design","2014","14","12","6399","","10.1021/cg501247x","","","1.54178","CuKα","","0.0258","0.0241","","","0.0598","0.0612","","","","","","1.072","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512229","34.8962","0.0007","8.12494","0.00016","4.91985","0.00011","90","","90.939","0.002","90","","1394.74","0.05","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C10 H16 N5 O7.5 -","- C10 H16 N5 O7.5 -","- C40 H64 N20 O30 -","4","1","","Chen, Jia-Mei; Li, Song; Lu, Tong-Bu","Pharmaceutical Cocrystals of Ribavirin with Reduced Release Rates","Crystal Growth & Design","2014","14","12","6399","","10.1021/cg501247x","","","1.54178","CuKα","","0.031","0.0291","","","0.0718","0.0733","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512230","15.5935","0.0009","20.9498","0.0013","24.3944","0.0014","90","","90","","90","","7969.2","0.8","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H92 Cl4 Cu4 N12 O32 -","- C66 H92 Cl4 Cu4 N12 O32 -","- C264 H368 Cl16 Cu16 N48 O128 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Effect of Spacer Atoms in the Dicarboxylate Linkers on the Formation of Coordination Architectures—Molecular Rectangles vs 1D Coordination Polymers: Synthesis, Crystal Structures, Vapor/Gas Adsorption Studies, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6433","","10.1021/cg501284y","","","0.71073","MoKα","","0.173","0.0733","","","0.1581","0.1924","","","","","","1.034","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512231","8.5695","0.0008","11.3027","0.001","21.867","0.002","90","","92.817","0.006","90","","2115.4","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H43 Cl2 Cu2 N7 O15 -","- C34 H41 Cl2 Cu2 N7 O15 -","- C68 H82 Cl4 Cu4 N14 O30 -","2","1","","Khullar, Sadhika; Mandal, Sanjay K.","Effect of Spacer Atoms in the Dicarboxylate Linkers on the Formation of Coordination Architectures—Molecular Rectangles vs 1D Coordination Polymers: Synthesis, Crystal Structures, Vapor/Gas Adsorption Studies, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6433","","10.1021/cg501284y","","","0.71073","MoKα","","0.0695","0.0596","","","0.1635","0.1732","","","","","","1.045","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512232","15.6239","0.0016","20.84","0.002","24.643","0.003","90","","90","","90","","8023.8","1.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C64 H88 Cl4 Cu4 N12 O32 S2 -","- C64 H80 Cl4 Cu4 N12 O32 S2 -","- C256 H320 Cl16 Cu16 N48 O128 S8 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Effect of Spacer Atoms in the Dicarboxylate Linkers on the Formation of Coordination Architectures—Molecular Rectangles vs 1D Coordination Polymers: Synthesis, Crystal Structures, Vapor/Gas Adsorption Studies, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6433","","10.1021/cg501284y","","","0.71073","MoKα","","0.1514","0.0971","","","0.2443","0.2725","","","","","","1.103","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512233","4.2208","0.0002","14.6043","0.0006","14.923","0.0005","90","","92.303","0.003","90","","919.14","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 I2 O2 -","- C7 H4 I2 O2 -","- C28 H16 I8 O8 -","4","1","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.0383","0.0309","","","0.0691","0.0726","","","","","","1.054","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512234","13.8531","0.0003","13.3127","0.0002","17.1303","0.0004","90","","94.337","0.002","90","","3150.16","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 I4 N4 O4 Zn -","- C28 H20 I4 N4 O4 Zn -","- C112 H80 I16 N16 O16 Zn4 -","4","1","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.061","0.0423","","","0.0999","0.1079","","","","","","1.024","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512235","21.9682","0.0019","17.0815","0.001","20.2564","0.0011","90","","109.231","0.007","90","","7177","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H32 I12 N2 O12 Zn3 -","- C55 H32 I12 N2 O12 Zn3 -","- C220 H128 I48 N8 O48 Zn12 -","4","1","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.1596","0.0815","","","0.1657","0.1981","","","","","","1.06","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512236","16.7029","0.0006","19.4272","0.0006","26.6145","0.0014","90","","100.149","0.004","90","","8501","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H46 Cd3 I12 N4 O12 -","- C68 H46 Cd3 I12 N4 O12 -","- C272 H184 Cd12 I48 N16 O48 -","4","0.5","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.0823","0.0567","","","0.1369","0.1508","","","","","","1.027","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512237","10.513","0.0005","12.1087","0.0006","14.1519","0.0006","68.007","0.005","69.464","0.004","69.909","0.005","1516.87","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 I4 N2 Ni O5 -","- C26 H18 I4 N2 Ni O5 -","- C52 H36 I8 N4 Ni2 O10 -","2","1","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.0611","0.0413","","","0.072","0.0792","","","","","","1.037","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512238","13.7231","0.0003","13.4488","0.0002","17.1059","0.0003","90","","93.814","0.002","90","","3150.06","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Co I4 N4 O4 -","- C28 H20 Co I4 N4 O4 -","- C112 H80 Co4 I16 N16 O16 -","4","1","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.0557","0.0432","","","0.1031","0.1089","","","","","","1.024","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512239","8.8418","0.0004","12.4503","0.0007","15.9648","0.0007","68.773","0.005","81.465","0.004","89.139","0.004","1618.65","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H26 Co3 I12 N2 O12 -","- C52 H26 Co3 I12 N2 O12 -","- C52 H26 Co3 I12 N2 O12 -","1","0.5","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.0718","0.0568","","","0.1142","0.1214","","","","","","1.04","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512240","9.4905","0.0005","13.552","0.0007","14.2344","0.001","71.94","0.005","79.842","0.005","86.614","0.004","1713.26","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H28 I12 Mn3 N2 O12 -","- C54 H28 I12 Mn3 N2 O12 -","- C54 H28 I12 Mn3 N2 O12 -","1","0.5","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.0738","0.055","","","0.1163","0.1256","","","","","","1.013","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512241","9.475","0.0006","12.2744","0.0008","16.166","0.0011","100.453","0.006","96.867","0.006","108.149","0.006","1725.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H32 I12 Mn3 N4 O12 -","- C52 H32 I12 Mn3 N4 O12 -","- C52 H32 I12 Mn3 N4 O12 -","1","0.5","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.0647","0.0466","","","0.126","0.1378","","","","","","1.039","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512242","10.08","0.002","20.648","0.004","13.183","0.003","90","","107.503","0.003","90","","2616.8","0.9","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 N3 O7 S2 -","- C26 H27 N3 O7 S2 -","- C104 H108 N12 O28 S8 -","4","2","","Ohmatsu, Kohsuke; Kawai, Shinya; Imagawa, Naomichi; Ooi, Takashi","Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of 5-Vinyloxazolidinones with Imines Using Chiral Ammonium-Phosphine Hybrid Ligand","ACS Catalysis","2014","4","12","4304","","10.1021/cs501369z","","","0.71075","MoKα","","0.0807","0.0475","","","0.105","0.1308","","","","","","0.963","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512243","26.1934","0.001","26.1934","0.001","9.3978","0.0008","90","","90","","120","","5583.9","0.6","120","1","120","1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C20 H12 Au2 Fe N8 O -","- C20 H8 Au2 Fe N8 O -","- C180 H72 Au18 Fe9 N72 O9 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.0566","0.0455","","","0.1289","0.1396","","","","","","1.005","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512244","26.2003","0.0008","26.2003","0.0008","9.8014","0.0003","90","","90","","120","","5826.8","0.3","120","1","120","1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C20 H12 Ag2 Fe N8 S -","- C20 H8 Ag2 Fe N8 S -","- C180 H72 Ag18 Fe9 N72 S9 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71073","MoKα","","0.0992","0.0813","","","0.2283","0.2534","","","","","","1.04","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512245","26.901","0.0014","26.901","0.0014","9.7742","0.0008","90","","90","","120","","6125.6","0.7","300","1","300","1","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C24 H18 Au2 Fe N10 -","- C24 H16 Au2 Fe N10 -","- C216 H144 Au18 Fe9 N90 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.0572","0.0405","","","0.1067","0.1198","","","","","","0.968","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512246","26.852","0.002","26.852","0.002","9.6735","0.0013","90","","90","","120","","6040.4","1","300","1","300","1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C20 H12 Au2 Fe N8 O -","- C20 H8 Au2 Fe N8 O2 -","- C180 H72 Au18 Fe9 N72 O18 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.1567","0.0926","","","0.2004","0.2477","","","","","","1.049","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512247","26.8078","0.0012","26.8078","0.0012","9.9406","0.0006","90","","90","","120","","6186.8","0.5","300","1","300","1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C18 H10 Au2 Fe N8 S0.5 -","- C18 H8 Au2 Fe N8 S0.5 -","- C162 H72 Au18 Fe9 N72 S4.5 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.1097","0.0705","","","0.185","0.214","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512248","26.2174","0.0012","26.2174","0.0012","9.5734","0.0005","90","","90","","120","","5698.7","0.5","120","1","120","1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C18 H10 Ag2 Fe N8 O0.5 -","- C18 H8 Ag2 Fe N8 O0.5 -","- C162 H72 Ag18 Fe9 N72 O4.5 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.0756","0.06","","","0.1713","0.1933","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512249","26.459","0.001","26.459","0.001","9.5783","0.0005","90","","90","","120","","5807.2","0.4","120","1","120","1","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C24 H18 Au2 Fe N10 -","- C24 H16 Au2 Fe N10 -","- C216 H144 Au18 Fe9 N90 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71073","MoKα","","0.0689","0.0518","","","0.1195","0.1314","","","","","","1.062","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512250","26.8824","0.001","26.8824","0.001","10.2072","0.0005","90","","90","","120","","6388.1","0.5","300","1","300","1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C20 H12 Ag2 Fe N8 S -","- C20 H8 Ag2 Fe N8 S -","- C180 H72 Ag18 Fe9 N72 S9 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.1062","0.0785","","","0.2108","0.2444","","","","","","1.154","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512251","26.4013","0.0009","26.4013","0.0009","9.6662","0.0007","90","","90","","120","","5834.9","0.5","120","1","120","1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C18 H10 Au2 Fe N8 S0.5 -","- C18 H8 Au2 Fe N8 S -","- C162 H72 Au18 Fe9 N72 S9 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.1427","0.0864","","","0.2089","0.2535","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512252","26.8761","0.0008","26.8761","0.0008","10.0456","0.0004","90","","90","","120","","6284","0.4","300","1","300","1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C18 H10 Ag2 Fe N8 O0.5 -","- C18 H8 Ag2 Fe N8 O0.5 -","- C162 H72 Ag18 Fe9 N72 O4.5 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.0793","0.056","","","0.1655","0.1914","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512253","26.8913","0.0012","26.8913","0.0012","10.0069","0.0007","90","","90","","120","","6266.9","0.6","300","1","300","1","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C22 H15.5 Ag2 Fe N9.5 -","- C22 H14 Ag2 Fe N9.5 -","- C198 H126 Ag18 Fe9 N85.5 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71073","MoKα","","0.0934","0.0654","","","0.2118","0.238","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512254","26.2525","0.0009","26.2525","0.0009","9.6515","0.0004","90","","90","","120","","5760.6","0.4","120","1","120","1","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C22 H15.5 Ag2 Fe N9.5 -","- C22 H14 Ag2 Fe N9.5 -","- C198 H126 Ag18 Fe9 N85.5 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.0552","0.0475","","","0.1357","0.1436","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512255","9.38","0.03","16.81","0.04","11.48","0.03","90","","100.426","0.016","90","","1780","8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H46 N8 O16 Zn2 -","- C26 H34 N8 O16 Zn2 -","- C52 H68 N16 O32 Zn4 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Sun, Zhihao; Wang, Yanlong; Hu, Shengmin; Huang, Yihui; Li, Jie; Wu, Xintao","Homochiral Layered Coordination Polymers from ChiralN-Carbamylglutamate and Achiral Flexible Bis(pyridine) Ligands: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","12","6230","","10.1021/cg501398c","","","0.71073","MoKα","","0.0536","0.0434","","","0.1074","0.1379","","","","","","1.049","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512256","7.584","0.003","15.434","0.006","9.559","0.004","90","","98.887","0.006","90","","1105.5","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 N4 O8 Zn -","- C18 H20 N4 O8 Zn -","- C36 H40 N8 O16 Zn2 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Sun, Zhihao; Wang, Yanlong; Hu, Shengmin; Huang, Yihui; Li, Jie; Wu, Xintao","Homochiral Layered Coordination Polymers from ChiralN-Carbamylglutamate and Achiral Flexible Bis(pyridine) Ligands: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","12","6230","","10.1021/cg501398c","","","0.71073","MoKα","","0.0523","0.0418","","","0.0867","0.0933","","","","","","0.999","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512257","9.483","0.003","17.454","0.006","13.003","0.004","90","","99.291","0.005","90","","2124","1.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H22 N4.5 Na0.5 O7.5 Zn -","- C18 H20 N4.5 Na0.5 O7.5 Zn -","- C72 H80 N18 Na2 O30 Zn4 -","4","2","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Sun, Zhihao; Wang, Yanlong; Hu, Shengmin; Huang, Yihui; Li, Jie; Wu, Xintao","Homochiral Layered Coordination Polymers from ChiralN-Carbamylglutamate and Achiral Flexible Bis(pyridine) Ligands: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","12","6230","","10.1021/cg501398c","","","0.71073","MoKα","","0.0732","0.0478","","","0.0963","0.1089","","","","","","0.998","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512258","9.756","0.002","10.346","0.003","11.822","0.003","86.418","0.005","86.785","0.006","87.184","0.005","1187.8","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H29 N4 O8.5 Zn -","- C19 H22 N4 O8.5 Zn -","- C38 H44 N8 O17 Zn2 -","2","2","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Sun, Zhihao; Wang, Yanlong; Hu, Shengmin; Huang, Yihui; Li, Jie; Wu, Xintao","Homochiral Layered Coordination Polymers from ChiralN-Carbamylglutamate and Achiral Flexible Bis(pyridine) Ligands: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","12","6230","","10.1021/cg501398c","","","0.71073","MoKα","","0.0441","0.0397","","","0.1049","0.1079","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512259","10.4808","0.0007","12.8829","0.0012","20.7792","0.0014","90","","90","","90","","2805.7","0.4","293","2","293","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C7 H7 Ag2 I3 N2 -","- C7 H4 Ag2 I3 N -","- C56 H32 Ag16 I24 N8 -","8","0.5","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.0751","0.0644","","","0.1399","0.1452","","","","","","1.214","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512260","12.7674","0.0011","10.978","0.0007","21.5301","0.0018","90","","93.889","0.007","90","","3010.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 Ag2 I3 N2 -","- C10 H4 Ag2 I3 -","- C80 H32 Ag16 I24 -","8","1","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.0778","0.0483","","","0.087","0.1017","","","","","","1.068","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512261","12.693","0.0005","10.8055","0.0005","21.1046","0.0009","90","","93.496","0.004","90","","2889.2","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 Ag2 I3 N2 -","- C10 H4 Ag2 I3 -","- C80 H32 Ag16 I24 -","8","1","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.0542","0.0492","","","0.1019","0.1037","","","","","","1.222","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512262","12.0078","0.0003","12.0175","0.0004","22.5442","0.0006","90","","90","","90","","3253.21","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Ag4 I6 N4 -","- C18 H22 Ag4 I6 N4 -","- C72 H88 Ag16 I24 N16 -","4","1","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.0485","0.0372","","","0.0675","0.0728","","","","","","1.014","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512263","11.83328","0.00017","11.9072","0.0002","22.0907","0.0003","90","","90","","90","","3112.61","0.08","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Ag4 I6 N4 -","- C18 H22 Ag4 I6 N4 -","- C72 H88 Ag16 I24 N16 -","4","1","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.0244","0.023","","","0.0435","0.0441","","","","","","1.046","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512264","11.9385","0.0007","12.6709","0.0006","23.1557","0.0011","90","","90","","90","","3502.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Ag4 I6 N4 -","- C20 H26 Ag4 I6 N4 -","- C80 H104 Ag16 I24 N16 -","4","1","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.0634","0.0474","","","0.1051","0.1142","","","","","","1.018","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512265","12.2482","0.001","12.8858","0.0011","23.2946","0.0013","90","","90","","90","","3676.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Ag4 I6 N4 -","- C22 H30 Ag4 I6 N4 -","- C88 H120 Ag16 I24 N16 -","4","1","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.1011","0.0564","","","0.1117","0.1345","","","","","","1.023","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512266","17.0348","0.0011","8.4649","0.0005","20.0674","0.0011","90","","90","","90","","2893.7","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Co3 O30 -","- C12 H36 Co3 O30 -","- C48 H144 Co12 O120 -","4","0.5","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.71073","MoKα","","0.0835","0.0398","","","0.0587","0.0669","","","","","","0.986","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512267","8.7373","0.0007","9.7058","0.0006","15.3909","0.0014","84.254","0.006","81.361","0.007","78.367","0.006","1260.58","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H60 Co6 O54 -","- C24 H60 Co6 O54 -","- C24 H60 Co6 O54 -","1","0.5","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","1.54184","CuKα","","0.0799","0.0498","","","0.1158","0.1273","","","","","","0.983","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512268","16.9667","0.0009","8.4375","0.0004","19.9676","0.0009","90","","90","","90","","2858.5","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Ni3 O30 -","- C12 H36 Ni3 O30 -","- C48 H144 Ni12 O120 -","4","0.5","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.71073","MoKα","","0.0799","0.0437","","","0.0698","0.0778","","","","","","1.007","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512269","6.7014","0.0002","19.2147","0.0006","23.0383","0.0006","90","","92.119","0.003","90","","2964.51","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 K2 Ni2 O29 -","- C12 H34 K2 Ni2 O29 -","- C48 H136 K8 Ni8 O116 -","4","1","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.71073","MoKα","","0.0772","0.0481","","","0.1137","0.1199","","","","","","1","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512270","19.26","0.0004","21.0541","0.0003","12.845","0.0002","90","","90","","90","","5208.67","0.15","150","2","150","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C24 H58 Cu7 O54 -","- C24 H58 Cu7 O54 -","- C96 H232 Cu28 O216 -","4","0.5","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.71073","MoKα","","0.0265","0.023","","","0.0488","0.0493","","","","","","0.978","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512271","19.4561","0.001","12.511","0.0006","21.4202","0.0011","90","","90","","90","","5214","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H26 Cu2 K2 O25 -","- C12 H25.42 Cu2 K2 O25 -","- C96 H203.36 Cu16 K16 O200 -","8","1","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.7749","synchrotron","","0.0389","0.0345","","","0.0928","0.0952","","","","","","1.077","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512272","27.35","0.002","9.5383","0.0006","18.5428","0.0016","90","","113.005","0.01","90","","4452.6","0.7","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H48 Cu5 O47 -","- C24 H44 Cu5 O47 -","- C96 H176 Cu20 O188 -","4","1","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.71073","MoKα","","0.0487","0.0376","","","0.0776","0.0817","","","","","","1.02","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512273","10.136","0.003","10.136","0.003","26.725","0.007","90","","90","","120","","2377.8","1.2","150","2","150","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C33 H26 Cu2 N4 O15 -","- C33 H22 Cu2 N4 O15 -","- C99 H66 Cu6 N12 O45 -","3","0.5","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.6889","synchrotron","","0.0581","0.0492","","","0.1393","0.1449","","","","","","1.065","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512274","35.1544","0.0003","35.1544","0.0003","35.1544","0.0003","90","","90","","90","","43444.9","0.6","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C40 H22 N4 O20 Zn6 -","- C39.999 H22 N4 O20 Zn6 -","- C959.976 H528 N96 O480 Zn144 -","24","0.5","","Wang, Fei; Fu, Hong-Ru; Hou, Duan-Chuan; Zhang, Jian","Assembly of Four Kinds of Cages into Porous Metal‒Organic Framework for Selective Sorption of Light Hydrocarbons","Crystal Growth & Design","2014","14","12","6467","","10.1021/cg5013318","","","0.71073","MoKα","","0.083","0.0564","","","0.1618","0.1739","","","","","","1.033","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512275","5.8543","0.0005","22.954","0.003","8.9509","0.0009","90","","96.206","0.004","90","","1195.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl O -","- C15 H11 Cl O -","- C60 H44 Cl4 O4 -","4","1","","Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong","Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides","ACS Catalysis","2014","4","12","4485","","10.1021/cs501326p","","","0.71073","MoKα","","0.0379","0.0304","","","0.0829","0.1085","","","","","","1.174","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512276","5.8215","0.0003","8.3087","0.0004","33.2148","0.0016","90","","94.567","0.001","90","","1601.47","0.14","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O -","- C22 H18 O -","- C88 H72 O4 -","4","1","","Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong","Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides","ACS Catalysis","2014","4","12","4485","","10.1021/cs501326p","","","0.71073","MoKα","","0.0744","0.0486","","","0.1119","0.1252","","","","","","1.017","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512277","12.7973","0.0006","6.1187","0.0002","16.9311","0.0008","90","","101.782","0.002","90","","1297.82","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","","Gandeepan, Parthasarathy; Rajamalli, P.; Cheng, Chien-Hong","Palladium-Catalyzed Dehydrogenative β-Arylation of Simple Saturated Carbonyls by Aryl Halides","ACS Catalysis","2014","4","12","4485","","10.1021/cs501326p","","","0.71073","MoKα","","0.0563","0.04","","","0.1181","0.1443","","","","","","1.117","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512278","23.6226","0.001","8.458","0.0004","16.2905","0.0007","90","","121.247","0.0014","90","","2782.7","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dichloro-(bis(2-pyridylmethyl)selenide-N,N')-zinc(ii)","","- C12 H12 Cl2 N2 Se Zn -","- C12 H12 Cl2 N2 Se Zn -","- C96 H96 Cl16 N16 Se8 Zn8 -","8","1","","Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C.","Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions","Crystal Growth & Design","2014","14","12","6497","","10.1021/cg501395p","","","1.54178","CuKα","","0.0326","0.0316","","","0.0886","0.0892","","","","","","1.168","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512279","8.9256","0.0001","8.9256","0.0001","18.4297","0.0002","90","","90","","90","","1468.23","0.03","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","dichloro-(bis(2-pyridylmethyl)selenide-N,N')-zinc(ii)","","- C12 H12 Cl2 N2 Se Zn -","- C12 H12 Cl2 N2 Se Zn -","- C48 H48 Cl8 N8 Se4 Zn4 -","4","0.5","","Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C.","Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions","Crystal Growth & Design","2014","14","12","6497","","10.1021/cg501395p","","","1.54178","CuKα","","0.0188","0.0187","","","0.0533","0.0533","","","","","","0.916","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512280","9.4838","0.0002","10.3298","0.0002","15.2472","0.0003","80.122","0.0009","88.2713","0.001","78.0084","0.0009","1439.42","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(μ2-chloro)-dichloro-bis(bis(2-pyridylmethyl)selenide)-di-cadmium(ii)","","- C24 H24 Cd2 Cl4 N4 Se2 -","- C24 H24 Cd2 Cl4 N4 Se2 -","- C48 H48 Cd4 Cl8 N8 Se4 -","2","1","","Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C.","Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions","Crystal Growth & Design","2014","14","12","6497","","10.1021/cg501395p","","","1.54178","CuKα","","0.0334","0.0292","","","0.0731","0.075","","","","","","1.02","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512281","7.9133","0.0002","8.3841","0.0002","12.7127","0.0003","81.8816","0.0008","80.8657","0.0007","65.1216","0.0007","752.85","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","bis(nitrato-O,O')-(bis(2-pyridylmethyl)selenide-N,N',Se)-zinc(ii)","","","- C12 H12 N4 O6 Se Zn -","- C12 H12 N4 O6 Se Zn -","- C24 H24 N8 O12 Se2 Zn2 -","2","1","","Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C.","Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions","Crystal Growth & Design","2014","14","12","6497","","10.1021/cg501395p","","","1.54178","CuKα","","0.0268","0.0262","","","0.0714","0.072","","","","","","1.037","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512282","7.9942","0.0003","8.4913","0.0003","12.7305","0.0004","80.6531","0.0015","79.1801","0.0013","67.1369","0.0012","778.28","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(nitrato-O,O')-(bis(2-pyridylmethyl)selenide-N,N',Se)-cadmium(ii)","","- C12 H12 Cd N4 O6 Se -","- C12 H12 Cd N4 O6 Se -","- C24 H24 Cd2 N8 O12 Se2 -","2","1","","Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C.","Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions","Crystal Growth & Design","2014","14","12","6497","","10.1021/cg501395p","","","1.54178","CuKα","","0.022","0.0217","","","0.0557","0.0559","","","","","","1.039","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512283","8.065","0.0001","8.5158","0.0001","13.8712","0.0002","80.125","0.0006","81.855","0.0006","63.48","0.0005","837.509","0.019","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(nitrato-O,O')-(1,2-bis(2-pyridylmethyl)diselane-N,N',Se)-cadmium(ii)","","- C12 H12 Cd N4 O6 Se2 -","- C12 H12 Cd N4 O6 Se2 -","- C24 H24 Cd2 N8 O12 Se4 -","2","1","","Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C.","Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions","Crystal Growth & Design","2014","14","12","6497","","10.1021/cg501395p","","","1.54178","CuKα","","0.027","0.0268","","","0.0711","0.0712","","","","","","1.061","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512284","8.0371","0.0002","8.4838","0.0002","12.9112","0.0003","80.8446","0.0009","80.0131","0.0009","66.1735","0.0008","789.24","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(nitrato-O,O')-(bis(2-pyridylmethyl)selenide-N,N',Se)-cadmium(ii) bis(nitrato-O,O')-(1,2-bis(2-pyridylmethyl)diselane-N,N',Se)-cadmium(ii)","","- C12 H12 Cd N4 O6 Se1.14 -","- C12 H12 Cd N4 O6 Se1.144 -","- C24 H24 Cd2 N8 O12 Se2.288 -","2","1","","Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C.","Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions","Crystal Growth & Design","2014","14","12","6497","","10.1021/cg501395p","","","1.54178","CuKα","","0.0362","0.0359","","","0.0914","0.0915","","","","","","1.085","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512285","7.3116","0.0019","10.858","0.003","14.5","0.004","90","","90.276","0.005","90","","1151.1","0.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 N4 -","- C32 H16 N4 -","- C64 H32 N8 -","2","0.5","","Hu, Peng; Ma, Lin; Tan, Ke Jie; Jiang, Hui; Wei, Fengxia; Yu, Chuhuan; Goetz, Katelyn P.; Jurchescu, Oana D.; McNeil, L. E.; Gurzadyan, Gagik G.; Kloc, Christian","Solvent-Dependent Stoichiometry in Perylene–7,7,8,8-Tetracyanoquinodimethane Charge Transfer Compound Single Crystals","Crystal Growth & Design","2014","14","12","6376","","10.1021/cg501206f","","x-ray","0.71069","MoKα","","0.0606","0.045","","","0.0552","0.0572","","","","2.51","2.51","2.14","","","","has coordinates","288070","2023-12-06","12:56:21",""
"4512286","10.411","0.003","10.862","0.001","12.574","0.002","66.456","0.001","66.295","0.003","89.225","0.004","1175.1","0.4","293","","293","","","","","","","","","3","P -1","-P 1","2","P3T1","Tetracyanoquinodimethane(perylene)2-perylene","","- C72 H40 N4 -","- C72 H40 N4 -","- C72 H40 N4 -","1","0.5","","Hu, Peng; Ma, Lin; Tan, Ke Jie; Jiang, Hui; Wei, Fengxia; Yu, Chuhuan; Goetz, Katelyn P.; Jurchescu, Oana D.; McNeil, L. E.; Gurzadyan, Gagik G.; Kloc, Christian","Solvent-Dependent Stoichiometry in Perylene‒7,7,8,8-Tetracyanoquinodimethane Charge Transfer Compound Single Crystals","Crystal Growth & Design","2014","14","12","6376","","10.1021/cg501206f","","","0.71069","MoKα","","0.0795","0.0496","","","0.1154","0.1441","","","","2.63","2.63","2.52","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512287","5.0825","0.001","9.7492","0.0019","15.148","0.003","77.78","0.03","89.74","0.03","77.45","0.03","715.4","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 F N4 O4 -","- C14 H15 F N4 O4 -","- C28 H30 F2 N8 O8 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Crystal Engineering of Tegafur Cocrystals: Structural Analysis and Physicochemical Properties","Crystal Growth & Design","2014","14","12","6557","","10.1021/cg501469r","","","0.71073","MoKα","","0.0964","0.0905","","","0.2628","0.2711","","","","","","1.199","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512288","5.2764","0.0011","10.181","0.002","13.495","0.003","87.43","0.03","81.56","0.03","78.7","0.03","703.1","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 F N4 O4 -","- C14 H15 F N4 O4 -","- C28 H30 F2 N8 O8 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Crystal Engineering of Tegafur Cocrystals: Structural Analysis and Physicochemical Properties","Crystal Growth & Design","2014","14","12","6557","","10.1021/cg501469r","","","0.71073","MoKα","","0.0426","0.04","","","0.1117","0.12","","","","","","1.098","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512289","5.1227","0.001","21.618","0.004","13.215","0.003","90","","93.39","0.03","90","","1460.9","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F N2 O6 -","- C15 H15 F N2 O6 -","- C60 H60 F4 N8 O24 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Crystal Engineering of Tegafur Cocrystals: Structural Analysis and Physicochemical Properties","Crystal Growth & Design","2014","14","12","6557","","10.1021/cg501469r","","","0.71073","MoKα","","0.0769","0.07","","","0.1975","0.209","","","","","","1.148","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512290","8.4887","0.0017","8.6643","0.0017","12.184","0.002","91.83","0.03","100.87","0.03","105.3","0.03","845.7","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 F N6 O6 -","- C15 H19 F N6 O6 -","- C30 H38 F2 N12 O12 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Crystal Engineering of Tegafur Cocrystals: Structural Analysis and Physicochemical Properties","Crystal Growth & Design","2014","14","12","6557","","10.1021/cg501469r","","","0.71073","MoKα","","0.0555","0.0523","","","0.1476","0.1576","","","","","","1.138","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512291","12.609","0.003","11.125","0.002","19.976","0.004","90","","92.16","0.03","90","","2800.1","1","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 F N2 O6 -","- C14 H15 F N2 O6 -","- C112 H120 F8 N16 O48 -","8","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Crystal Engineering of Tegafur Cocrystals: Structural Analysis and Physicochemical Properties","Crystal Growth & Design","2014","14","12","6557","","10.1021/cg501469r","","","0.71073","MoKα","","0.0515","0.05","","","0.1366","0.1382","","","","","","1.075","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512292","12.6294","0.0005","13.6304","0.0005","16.3489","0.0007","107.245","0.001","99.96","0.001","96.713","0.001","2604.68","0.18","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H110 Fe4 N2 O118 Pr2 Sb2 W18 -","- C8 H18 Fe4 N2 O118 Pr2 Sb2 W18 -","- C8 H18 Fe4 N2 O118 Pr2 Sb2 W18 -","1","0.5","","Zhao, Jun-Wei; Cao, Jing; Li, Yan-Zhou; Zhang, Jing; Chen, Li-Juan","First Tungstoantimonate-Based Transition-Metal‒Lanthanide Heterometallic Hybrids Functionalized by Amino Acid Ligands","Crystal Growth & Design","2014","14","12","6217","","10.1021/cg5007988","","","0.71073","MoKα","","0.0529","0.0463","","","0.1081","0.1113","","","","","","1.067","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512293","12.6125","0.0006","13.5912","0.0007","16.2958","0.0008","107.066","0.001","100.003","0.001","96.73","0.001","2587.5","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H110 Fe4 N2 Nd2 O118 Sb2 W18 -","- C8 H18 Fe4 N2 Nd2 O118 Sb2 W18 -","- C8 H18 Fe4 N2 Nd2 O118 Sb2 W18 -","1","0.5","","Zhao, Jun-Wei; Cao, Jing; Li, Yan-Zhou; Zhang, Jing; Chen, Li-Juan","First Tungstoantimonate-Based Transition-Metal‒Lanthanide Heterometallic Hybrids Functionalized by Amino Acid Ligands","Crystal Growth & Design","2014","14","12","6217","","10.1021/cg5007988","","","0.71073","MoKα","","0.0845","0.0795","","","0.2215","0.2269","","","","","","1.038","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512294","12.6058","0.0005","13.5742","0.0005","16.2643","0.0007","106.991","0.001","99.967","0.001","96.756","0.001","2579.25","0.18","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H110 Fe4 N2 O118 Sb2 Sm2 W18 -","- C8 H18 Fe4 N2 O118 Sb2 Sm2 W18 -","- C8 H18 Fe4 N2 O118 Sb2 Sm2 W18 -","1","0.5","","Zhao, Jun-Wei; Cao, Jing; Li, Yan-Zhou; Zhang, Jing; Chen, Li-Juan","First Tungstoantimonate-Based Transition-Metal‒Lanthanide Heterometallic Hybrids Functionalized by Amino Acid Ligands","Crystal Growth & Design","2014","14","12","6217","","10.1021/cg5007988","","","0.71073","MoKα","","0.0633","0.0539","","","0.1388","0.1448","","","","","","1.025","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512295","12.6012","0.0006","13.5607","0.0006","16.239","0.0007","106.948","0.001","99.924","0.001","96.908","0.001","2571.5","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H110 Eu2 Fe4 N2 O118 Sb2 W18 -","- C8 H18 Eu2 Fe4 N2 O118 Sb2 W18 -","- C8 H18 Eu2 Fe4 N2 O118 Sb2 W18 -","1","0.5","","Zhao, Jun-Wei; Cao, Jing; Li, Yan-Zhou; Zhang, Jing; Chen, Li-Juan","First Tungstoantimonate-Based Transition-Metal‒Lanthanide Heterometallic Hybrids Functionalized by Amino Acid Ligands","Crystal Growth & Design","2014","14","12","6217","","10.1021/cg5007988","","","0.71073","MoKα","","0.0435","0.0393","","","0.0927","0.0948","","","","","","1.063","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512296","12.6124","0.0006","13.5806","0.0006","16.2545","0.0008","106.882","0.001","99.955","0.001","96.901","0.001","2580.8","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H110 Fe4 Gd2 N2 O118 Sb2 W18 -","- C8 H18 Fe4 Gd2 N2 O118 Sb2 W18 -","- C8 H18 Fe4 Gd2 N2 O118 Sb2 W18 -","1","0.5","","Zhao, Jun-Wei; Cao, Jing; Li, Yan-Zhou; Zhang, Jing; Chen, Li-Juan","First Tungstoantimonate-Based Transition-Metal‒Lanthanide Heterometallic Hybrids Functionalized by Amino Acid Ligands","Crystal Growth & Design","2014","14","12","6217","","10.1021/cg5007988","","","0.71073","MoKα","","0.0572","0.053","","","0.1384","0.1415","","","","","","1.032","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512297","12.5725","0.0008","13.5254","0.0009","16.1682","0.001","106.669","0.001","99.964","0.001","97.038","0.001","2550.6","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H110 Dy2 Fe4 N2 O118 Sb2 W18 -","- C8 H18 Dy2 Fe4 N2 O118 Sb2 W18 -","- C8 H18 Dy2 Fe4 N2 O118 Sb2 W18 -","1","0.5","","Zhao, Jun-Wei; Cao, Jing; Li, Yan-Zhou; Zhang, Jing; Chen, Li-Juan","First Tungstoantimonate-Based Transition-Metal‒Lanthanide Heterometallic Hybrids Functionalized by Amino Acid Ligands","Crystal Growth & Design","2014","14","12","6217","","10.1021/cg5007988","","","0.71073","MoKα","","0.0541","0.0499","","","0.1273","0.1301","","","","","","1.054","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512298","12.5684","0.0007","13.4822","0.0007","16.0879","0.0008","106.5","0.001","99.82","0.001","97.278","0.001","2530.9","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H106 Fe4 Lu2 N2 O116 Sb2 W18 -","- C8 H18 Fe4 Lu2 N2 O116 Sb2 W18 -","- C8 H18 Fe4 Lu2 N2 O116 Sb2 W18 -","1","0.5","","Zhao, Jun-Wei; Cao, Jing; Li, Yan-Zhou; Zhang, Jing; Chen, Li-Juan","First Tungstoantimonate-Based Transition-Metal‒Lanthanide Heterometallic Hybrids Functionalized by Amino Acid Ligands","Crystal Growth & Design","2014","14","12","6217","","10.1021/cg5007988","","","0.71073","MoKα","","0.0697","0.0658","","","0.1878","0.1918","","","","","","1.033","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512299","27.3789","0.0019","6.8157","0.0002","20.8598","0.0014","90","","134.626","0.012","90","","2770.4","0.6","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C61 H54 I N8 Na O6 -","- C61 H52 I N8 Na O6 -","- C122 H104 I2 N16 Na2 O12 -","2","0.5","","Buist, Amanda R.; Kennedy, Alan R.","Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine","Crystal Growth & Design","2014","14","12","6508","","10.1021/cg501400n","","","1.5418","CuKα","","0.0367","0.0364","","","0.0955","0.0957","","","","","","1.078","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512300","16.123","0.0006","11.227","0.0004","36.8726","0.0016","90","","91.165","0.003","90","","6673","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H60 I3 N10 Na O5 -","- C75 H60 I3 N10 Na O5 -","- C300 H240 I12 N40 Na4 O20 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.","Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine","Crystal Growth & Design","2014","14","12","6508","","10.1021/cg501400n","","","0.71073","MoKα","","0.1455","0.0612","","","0.0801","0.1019","","","","","","1.03","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512301","10.2171","0.0005","14.4369","0.0006","27.5476","0.0012","91.841","0.003","96.689","0.004","90.972","0.004","4032.7","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H70 Br4 I2 N11 Na O5 -","- C88 H70 Br4 I2 N11 Na O5 -","- C176 H140 Br8 I4 N22 Na2 O10 -","2","1","","Buist, Amanda R.; Kennedy, Alan R.","Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine","Crystal Growth & Design","2014","14","12","6508","","10.1021/cg501400n","","","0.71073","MoKα","","0.145","0.0847","","","0.1678","0.2027","","","","","","1.076","","","","has coordinates,has disorder","179670","2020-10-21","18:00:00",""
"4512302","11.0877","0.0007","5.4381","0.0004","24.663","0.0019","90","","101.058","0.007","90","","1459.47","0.18","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Br N3 O -","- C15 H16 Br N3 O -","- C60 H64 Br4 N12 O4 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.","Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine","Crystal Growth & Design","2014","14","12","6508","","10.1021/cg501400n","","","0.71073","MoKα","","0.0842","0.0522","","","0.0774","0.0892","","","","","","0.995","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512303","10.2879","0.0004","17.9944","0.0004","8.8718","0.0003","90","","122.427","0.005","90","","1386.3","0.11","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cl I2 N -","- C13 H10 Cl I2 N -","- C52 H40 Cl4 I8 N4 -","4","0.5","","Buist, Amanda R.; Kennedy, Alan R.","Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine","Crystal Growth & Design","2014","14","12","6508","","10.1021/cg501400n","","","0.71073","MoKα","","0.0216","0.0175","","","0.0384","0.0398","","","","","","1.073","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512304","18.0581","0.0012","10.3454","0.0003","14.9699","0.0005","90","","90","","90","","2796.7","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H10 Br I2 N -","- C13 H10 Br I2 N -","- C104 H80 Br8 I16 N8 -","8","2","","Buist, Amanda R.; Kennedy, Alan R.","Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine","Crystal Growth & Design","2014","14","12","6508","","10.1021/cg501400n","","","0.71073","MoKα","","0.0279","0.0251","","","0.0499","0.051","","","","","","1.047","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512305","13.3944","0.0003","15.7651","0.0004","20.8205","0.0004","81.3104","0.0019","77.788","0.002","66.947","0.002","3942.5","0.17","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C76 H96 Br4 Cl6 N4 O9 -","- C76 H95.938 Br4 Cl6 N4 O9 -","- C152 H191.876 Br8 Cl12 N8 O18 -","2","1","","Beyeh, N. Kodiah; Pan, Fangfang; Rissanen, Kari","Hierarchical Ordering in Ternary Co-Crystals of C60,N-Benzyl Ammonium Resorcinarene Bromide and Solvent Molecules","Crystal Growth & Design","2014","14","12","6161","","10.1021/cg5014413","","","1.54184","CuKα","","0.0433","0.0384","","","0.0963","0.1008","","","","","","1.011","","","","has coordinates,has disorder","179670","2020-10-21","18:00:00",""
"4512306","22.315","0.003","3.8413","0.0004","19.598","0.003","90","","90","","90","","1679.9","0.4","296","","296","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C7 H5 Cl2 N O2 -","- C7 H4 Cl2 N O2 -","- C56 H32 Cl16 N8 O16 -","8","1","","Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo","Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons","Crystal Growth & Design","2014","14","12","6189","","10.1021/cg501479p","","","0.71075","MoKα","","","0.041","","","","0.1152","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512307","22.252","0.002","3.7729","0.0003","19.6529","0.0017","90","","90","","90","","1650","0.2","160","","160","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C7 H5 Cl2 N O2 -","- C7 H4 Cl2 N O2 -","- C56 H32 Cl16 N8 O16 -","8","1","","Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo","Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons","Crystal Growth & Design","2014","14","12","6189","","10.1021/cg501479p","","","0.71075","MoKα","","","0.0527","","","","0.1497","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512308","22.7032","0.0011","4.1824","0.0002","19.5101","0.0008","90","","90","","90","","1852.56","0.15","296","","296","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C7 H5 I2 N O2 -","- C7 H4 I2 N O2 -","- C56 H32 I16 N8 O16 -","8","1","","Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo","Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons","Crystal Growth & Design","2014","14","12","6189","","10.1021/cg501479p","","","0.71075","MoKα","","","0.0254","","","","0.0547","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512309","22.5957","0.0007","4.1172","0.0001","19.4964","0.0005","90","","90","","90","","1813.77","0.09","110","","110","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C7 H5 I2 N O2 -","- C7 H4 I2 N O2 -","- C56 H32 I16 N8 O16 -","8","1","","Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo","Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons","Crystal Growth & Design","2014","14","12","6189","","10.1021/cg501479p","","","0.71075","MoKα","","","0.0189","","","","0.0413","","","","","","1.263","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512310","12.4909","0.0005","7.9389","0.0002","14.8184","0.0005","90","","113.001","0.004","90","","1352.63","0.09","300","","300","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","","","","- C10 H10 B F4 I N2 -","- C10 H10 B F4 I N2 -","- C40 H40 B4 F16 I4 N8 -","4","0.5","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.54184","CuKα","","0.1434","0.1374","","0.3561","0.341","0.3561","","","","","","0.9941","","","","has coordinates,has disorder","210387","2020-10-21","18:00:00",""
"4512311","12.1812","0.0002","15.7817","0.0002","14.6363","0.0002","90","","113.497","0.002","90","","2580.38","0.08","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 B F4 I N2 -","- C10 H10 B F4 I N2 -","- C80 H80 B8 F32 I8 N16 -","8","2","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.54184","CuKα","","0.0547","0.0526","","0.1569","0.1517","0.1569","","","","","","0.9959","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512312","13.6186","0.0006","6.8104","0.0002","8.4412","0.0004","90","","106.491","0.004","90","","750.7","0.06","240","","240","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H10 F6 I N2 P -","- C10 H10 F6 I N2 P -","- C20 H20 F12 I2 N4 P2 -","2","0.25","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.0421","0.0421","","0.1059","0.1059","0.1059","","","","","","1.0342","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512313","13.6291","0.0006","6.6689","0.0002","8.3311","0.0004","90","","105.743","0.004","90","","728.82","0.05","100","","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H10 F6 I N2 P -","- C10 H10 F6 I N2 P -","- C20 H20 F12 I2 N4 P2 -","2","0.25","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.0636","0.0636","","0.1454","0.1454","0.1454","","","","","","1.0953","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512314","12.5366","0.0007","8.0714","0.0004","14.923","0.0009","90","","113.319","0.007","90","","1386.68","0.15","300","","300","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","","","","- C10 H10 Cl I N2 O4 -","- C10 H10 Cl I N2 O4 -","- C40 H40 Cl4 I4 N8 O16 -","4","0.5","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.0852","0.0788","","0.2316","0.2127","0.2316","","","","","","0.9764","","","","has coordinates,has disorder","210387","2020-10-21","18:00:00",""
"4512315","12.1261","0.0002","15.9708","0.0002","14.7929","0.0002","90","","113.742","0.002","90","","2622.39","0.08","30","","30","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cl I N2 O4 -","- C10 H10 Cl I N2 O4 -","- C80 H80 Cl8 I8 N16 O32 -","8","2","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","0.6889","Synchrotron","","0.0294","0.0257","","0.0612","0.0589","0.0612","","","","","","1","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512316","7.2427","0.0004","10.7513","0.0007","10.8275","0.0006","92.95","0.005","106.067","0.005","104.941","0.005","775.92","0.09","300","","300","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H10 F3 I N2 O3 S -","- C11 H10 F3 I N2 O3 S -","- C22 H20 F6 I2 N4 O6 S2 -","2","1","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.049","0.0476","","0.1256","0.1221","0.1256","","","","","","0.9584","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512317","6.9897","0.0003","10.6617","0.0005","10.735","0.0005","93.588","0.004","105.368","0.004","104.094","0.004","741.23","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H10 F3 I N2 O3 S -","- C11 H10 F3 I N2 O3 S -","- C22 H20 F6 I2 N4 O6 S2 -","2","1","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.0409","0.0406","","0.1084","0.1076","0.1084","","","","","","1.0101","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512318","4.3576","0.0001","15.3233","0.0002","16.8802","0.0002","90","","91.7309","0.001","90","","1126.62","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 I8 N2 -","- C10 H10 I8 N2 -","- C20 H20 I16 N4 -","2","0.5","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","0.6889","Synchrotron","","0.0319","0.026","","0.0529","0.0487","0.0529","","","","","","0.9365","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512319","13.5556","0.001","13.5811","0.0008","7.3247","0.0006","90","","97.287","0.007","90","","1337.59","0.17","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 B Br F4 N2 -","- C10 H10 B Br F4 N2 -","- C40 H40 B4 Br4 F16 N8 -","4","1","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.0548","0.0391","","0.1164","0.102","0.1157","","","","","","0.9843","","","","has coordinates,has disorder","210387","2020-10-21","18:00:00",""
"4512320","13.722","0.0005","13.2565","0.0005","7.0604","0.0003","90","","97.109","0.004","90","","1274.45","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 B Br F4 N2 -","- C10 H10 B Br F4 N2 -","- C40 H40 B4 Br4 F16 N8 -","4","1","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.0344","0.0314","","0.0873","0.0821","0.0873","","","","","","0.8542","","","","has coordinates,has disorder","210387","2020-10-21","18:00:00",""
"4512321","6.7065","0.0003","10.6364","0.0005","9.9879","0.0006","90","","90.374","0.004","90","","712.45","0.06","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br F6 N2 P -","- C10 H10 Br F6 N2 P -","- C20 H20 Br2 F12 N4 P2 -","2","0.5","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","0.7107","MoKα","","0.057","0.0314","","0.0806","0.0683","0.0806","","","","","","0.9725","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512322","6.6796","0.0002","10.6598","0.0003","9.6226","0.0003","90","","89.073","0.003","90","","685.07","0.04","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br F6 N2 P -","- C10 H10 Br F6 N2 P -","- C20 H20 Br2 F12 N4 P2 -","2","0.5","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","0.7107","MoKα","","0.0277","0.022","","0.0519","0.0463","0.0519","","","","","","0.9565","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512323","10.2259","0.0003","12.5223","0.0004","20.4388","0.0006","90","","92.547","0.003","90","","2614.64","0.14","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br Cl N2 O4 -","- C10 H10 Br Cl N2 O4 -","- C80 H80 Br8 Cl8 N16 O32 -","8","1","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","0.7107","MoKα","","0.0791","0.0386","","0.0907","0.0659","0.0907","","","","","","0.96","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512324","10.1232","0.0002","12.1732","0.0003","20.2353","0.0004","90","","93.002","0.002","90","","2490.21","0.09","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br Cl N2 O4 -","- C10 H10 Br Cl N2 O4 -","- C80 H80 Br8 Cl8 N16 O32 -","8","1","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","0.71073","MoKα","","0.0302","0.0248","","0.0621","0.0565","0.0621","","","","","","0.9533","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512325","7.0831","0.0003","10.659","0.0005","10.7667","0.0004","95.913","0.003","104.24","0.004","104.692","0.004","750.18","0.06","300","","300","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H10 Br F3 N2 O3 S -","- C11 H10 Br F3 N2 O3 S -","- C22 H20 Br2 F6 N4 O6 S2 -","2","1","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.0369","0.0357","","0.0973","0.0965","0.0973","","","","","","1.0561","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512326","6.8906","0.0004","10.5223","0.0006","10.6716","0.0005","96.948","0.004","103.368","0.004","103.979","0.005","717.56","0.07","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H10 Br F3 N2 O3 S -","- C11 H10 Br F3 N2 O3 S -","- C22 H20 Br2 F6 N4 O6 S2 -","2","1","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.0578","0.0555","","0.1613","0.1592","0.1613","","","","","","1.0335","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512327","12.3353","0.0013","79.515","0.0008","14.7011","0.0016","90","","113.236","0.01","90","","13250","2","","","","","","","","","","","","6","P 1","P 1","1","","","","- C10 H10 B F4 I N2 -","- C100 H100 B8.32662 F32.909 I10 N20 -","- C400 H400 B33.3065 F131.636 I40 N80 -","4","4","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","","","","","","","","","","","","","","","","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512328","12.4327","0.0008","80.829","0.0005","14.8445","0.0012","90","0.006","113.272","0.007","90","0.005","13703.9","1.6","","","","","","","","","","","","6","P 1","P 1","1","","","","- C10 H10 Cl I N2 O4 -","- C100 H100 Cl10 I10 N20 O40 -","- C400 H400 Cl40 I40 N80 O160 -","4","4","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","","","","","","","","","","","","","","","","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512329","26.676","0.005","18.145","0.004","18.954","0.004","90","","118.54","0.03","90","","8060","4","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C52 H70 B2 Co Cu4 N18 O16 -","- C52 H45 B2 Co Cu4 N18 O16 -","- C208 H180 B8 Co4 Cu16 N72 O64 -","4","1","","Ryu, Dae Won; Lee, Woo Ram; Lim, Kwang Soo; Phang, Won Ju; Hong, Chang Seop","Two Homochiral Bimetallic Metal‒Organic Frameworks Composed of a Paramagnetic Metalloligand and Chiral Camphorates: Multifunctional Properties of Sorption, Magnetism, and Enantioselective Separation","Crystal Growth & Design","2014","14","12","6472","","10.1021/cg501332u","","","0.7","synchrotron","","0.108","0.0726","","","0.2032","0.2196","","","","","","0.962","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512330","26.604","0.005","18.113","0.004","18.925","0.004","90","","118.24","0.03","90","","8034","4","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C52 H70 B2 Co Cu4 N18 O16 -","- C52 H53 B2 Co Cu4 N18 O16 -","- C208 H212 B8 Co4 Cu16 N72 O64 -","4","1","","Ryu, Dae Won; Lee, Woo Ram; Lim, Kwang Soo; Phang, Won Ju; Hong, Chang Seop","Two Homochiral Bimetallic Metal‒Organic Frameworks Composed of a Paramagnetic Metalloligand and Chiral Camphorates: Multifunctional Properties of Sorption, Magnetism, and Enantioselective Separation","Crystal Growth & Design","2014","14","12","6472","","10.1021/cg501332u","","","0.7","synchrotron","","0.1036","0.0811","","","0.229","0.254","","","","","","1.036","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512331","12.9358","0.0007","13.5198","0.0007","16.4264","0.0009","77.942","0.004","80.486","0.004","76.544","0.004","2711.7","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H53 Cl10 F4 Ir N6 -","- C48 H53 Cl10 F4 Ir N6 -","- C96 H106 Cl20 F8 Ir2 N12 -","2","1","","Fernández-Hernández, Jesús M; De Cola, Luisa; Bolink, Henk J.; Clemente-León, Miguel; Coronado, Eugenio; Forment-Aliaga, Alicia; López-Muñoz, Angel; Repetto, Diego","White light-emitting electrochemical cells based on the Langmuir-Blodgett technique.","Langmuir : the ACS journal of surfaces and colloids","2014","30","46","14021","14029","10.1021/la503144v","","","0.71073","MoKα","","0.068","0.0391","","","0.0812","0.0848","","","","","","0.907","","","","has coordinates,has disorder","179670","2020-10-21","18:00:00",""
"4512332","33.9859","0.0006","7.2091","0.0001","12.3233","0.0002","90","","90","","90","","3019.3","0.08","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17.5 H16 Cl N O4 -","- C17.5 H16 Cl N O4 -","- C140 H128 Cl8 N8 O32 -","8","1","","Moon, Hyunsoo; Xuan, Qui Pham; Kim, Dokyoung; Kim, Yonghwi; Park, Jae Woo; Lee, Chong Han; Kim, Hyeong-Ju; Kawamata, Ayano; Park, Soo Young; Ahn, Kyo Han","Molecular-Shape-Dependent Luminescent Behavior of Dye Aggregates: Bent versus Linear Benzocoumarins","Crystal Growth & Design","2014","14","12","6613","","10.1021/cg501567s","","","0.71073","MoKα","","0.0773","0.0451","","","0.1126","0.1308","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512333","6.456","0.0003","12.5261","0.0004","16.8967","0.0006","90.012","0.002","90.001","0.002","89.974","0.002","1366.41","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","","Moon, Hyunsoo; Xuan, Qui Pham; Kim, Dokyoung; Kim, Yonghwi; Park, Jae Woo; Lee, Chong Han; Kim, Hyeong-Ju; Kawamata, Ayano; Park, Soo Young; Ahn, Kyo Han","Molecular-Shape-Dependent Luminescent Behavior of Dye Aggregates: Bent versus Linear Benzocoumarins","Crystal Growth & Design","2014","14","12","6613","","10.1021/cg501567s","","","0.71073","MoKα","","0.131","0.0858","","","0.2377","0.2753","","","","","","1.046","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512334","13.8783","0.0005","20.3674","0.0008","21.0344","0.0005","62.572","0.003","82.489","0.003","73.85","0.003","5069.1","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C167 H144 Mn6 N7 O34 -","- C167 H144 Mn6 N7 O34 -","- C167 H144 Mn6 N7 O34 -","1","0.5","","Yang, Jie; Wang, Xiaoqing; Wang, Rongming; Zhang, Liangliang; Liu, Fuling; Dai, Fangna; Sun, Daofeng","Syntheses, Crystal Structures, and Properties of Two 2-Fold Interpenetrating Metal‒Organic Frameworks Based on a Trigonal Rigid Ligand","Crystal Growth & Design","2014","14","12","6521","","10.1021/cg501425x","","","0.71","MoKα","","0.151","0.1156","","","0.3552","0.3883","","","","","","1.007","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512335","42.439","0.01","13.969","0.004","33.47","0.008","90","","90","","90","","19842","9","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C159 H122 Cd6 N5 O30 -","- C159 H122 Cd6 N5 O30 -","- C636 H488 Cd24 N20 O120 -","4","1","","Yang, Jie; Wang, Xiaoqing; Wang, Rongming; Zhang, Liangliang; Liu, Fuling; Dai, Fangna; Sun, Daofeng","Syntheses, Crystal Structures, and Properties of Two 2-Fold Interpenetrating Metal‒Organic Frameworks Based on a Trigonal Rigid Ligand","Crystal Growth & Design","2014","14","12","6521","","10.1021/cg501425x","","","0.71073","MoKα","","0.1391","0.0867","","","0.1845","0.2035","","","","","","1.007","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512336","7.961","0.006","8.127","0.006","14.041","0.011","92.111","0.008","99.219","0.014","90.526","0.013","896","1.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0625","0.0453","","","0.1066","0.1155","","","","","","0.925","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512337","7.967","0.006","8.131","0.006","14.048","0.011","92.12","0.009","99.247","0.014","90.52","0.013","897.5","1.2","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0641","0.0469","","","0.1147","0.124","","","","","","0.936","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512338","7.982","0.006","8.147","0.006","14.075","0.011","92.135","0.009","99.273","0.015","90.523","0.013","902.6","1.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0604","0.0431","","","0.101","0.1087","","","","","","0.958","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512339","7.979","0.006","8.143","0.006","14.066","0.011","92.142","0.009","99.311","0.016","90.527","0.014","901.1","1.2","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0653","0.0474","","","0.1097","0.1196","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512340","7.982","0.006","8.142","0.006","14.067","0.012","92.179","0.009","99.398","0.016","90.53","0.013","901.2","1.2","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0641","0.0461","","","0.1045","0.1129","","","","","","0.954","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512341","7.994","0.006","8.153","0.006","14.085","0.012","92.195","0.009","99.444","0.016","90.518","0.014","904.8","1.2","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0649","0.0467","","","0.1076","0.1162","","","","","","0.975","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512342","7.981","0.006","8.136","0.007","14.06","0.012","92.211","0.01","99.516","0.016","90.523","0.014","899.6","1.3","188","2","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0643","0.0469","","","0.1123","0.1221","","","","","","0.988","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512343","8","0.006","8.152","0.007","14.09","0.011","92.224","0.015","99.586","0.018","90.53","0.02","905.3","1.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0643","0.0447","","","0.107","0.1275","","","","","","0.985","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512344","8.002","0.007","8.152","0.007","14.089","0.012","92.243","0.009","99.692","0.016","90.536","0.014","905.1","1.4","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0625","0.0448","","","0.1061","0.1147","","","","","","0.977","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512345","8.03","0.007","8.179","0.007","14.136","0.014","92.277","0.01","99.815","0.018","90.533","0.015","914","1.4","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0659","0.0448","","","0.1061","0.1277","","","","","","0.978","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512346","8.012","0.006","8.154","0.007","14.095","0.012","92.292","0.017","100","0.02","90.54","0.02","906","1.3","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0688","0.0479","","","0.1142","0.1353","","","","","","0.979","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512347","8.038","0.008","8.174","0.008","14.132","0.014","92.308","0.01","100.312","0.018","90.536","0.016","912.6","1.6","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0634","0.0449","","","0.1133","0.1243","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512348","8.041","0.005","8.174","0.005","14.11","0.009","92.302","0.006","101.34","0.01","90.444","0.008","908.5","1","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0611","0.0437","","","0.1143","0.1251","","","","","","0.957","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512349","8.042","0.004","8.179","0.004","14.106","0.008","92.283","0.006","101.589","0.009","90.378","0.008","908.1","0.8","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0608","0.0424","","","0.0999","0.108","","","","","","0.915","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512350","8.043","0.004","8.183","0.004","14.106","0.008","92.276","0.005","101.704","0.009","90.338","0.007","908.3","0.8","228","2","228","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0592","0.0434","","","0.1221","0.1459","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512351","8.048","0.004","8.189","0.004","14.108","0.008","92.274","0.005","101.776","0.008","90.294","0.007","909.4","0.8","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0615","0.0428","","","0.1115","0.1388","","","","","","1.059","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512352","8.049","0.004","8.192","0.004","14.109","0.008","92.27","0.005","101.82","0.009","90.263","0.007","909.8","0.8","238","2","238","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0669","0.045","","","0.1116","0.1482","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512353","8.051","0.004","8.196","0.004","14.111","0.008","92.269","0.005","101.856","0.009","90.232","0.007","910.5","0.8","243","2","243","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0598","0.0429","","","0.1179","0.1424","","","","","","1.129","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512354","8.057","0.004","8.203","0.004","14.119","0.007","92.269","0.005","101.891","0.008","90.195","0.007","912.3","0.8","248","2","248","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0597","0.0419","","","0.1132","0.1358","","","","","","1.058","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512355","8.053","0.004","8.201","0.004","14.111","0.007","92.267","0.005","101.921","0.008","90.169","0.007","911.1","0.8","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0606","0.0432","","","0.119","0.1453","","","","","","1.092","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512356","8.059","0.004","8.207","0.004","14.119","0.007","92.264","0.005","101.935","0.008","90.138","0.007","912.9","0.8","258","2","258","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0598","0.0438","","","0.1298","0.1588","","","","","","0.805","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512357","8.057","0.004","8.208","0.004","14.116","0.007","92.274","0.005","101.962","0.008","90.103","0.007","912.5","0.8","263","2","263","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0604","0.0445","","","0.1239","0.139","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512358","8.061","0.004","8.214","0.004","14.122","0.007","92.273","0.005","101.975","0.008","90.073","0.007","913.9","0.8","268","2","268","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0614","0.0447","","","0.1256","0.1409","","","","","","1.107","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512359","8.059","0.004","8.213","0.004","14.116","0.007","92.266","0.005","101.98","0.008","90.041","0.006","913.2","0.8","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0605","0.0452","","","0.1263","0.1406","","","","","","1.094","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512360","8.055","0.004","8.205","0.004","14.115","0.007","92.243","0.008","101.957","0.01","90.021","0.006","911.9","0.8","278","2","278","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0664","0.0464","","","0.1337","0.1585","","","","","","1.129","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512361","8.062","0.004","8.215","0.004","14.124","0.008","92.241","0.008","101.966","0.01","89.982","0.006","914.4","0.8","283","2","283","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.081","0.0585","","","0.1277","0.1518","","","","","","0.998","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512362","8.7168","0.0017","9.1266","0.0018","11.88","0.002","97.11","0.03","100.78","0.03","91.34","0.03","920.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 N4 O7 S2 -","- C12 H20 N4 O7 S2 -","- C24 H40 N8 O14 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0992","0.0577","","","0.1372","0.1587","","","","","","1.05","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512363","8.781","0.0018","9.3448","0.0019","11.695","0.002","97.23","0.03","101.57","0.03","90.37","0.03","932.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H22 N4 O7 S2 -","- C13 H22 N4 O7 S2 -","- C26 H44 N8 O14 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.1045","0.0647","","","0.1465","0.1662","","","","","","1.026","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512364","8.9071","0.0018","9.2503","0.0019","11.408","0.002","80.05","0.03","81.21","0.03","88.06","0.03","914.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 N4 O6 S2 -","- C14 H22 N4 O6 S2 -","- C28 H44 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0655","0.0556","","","0.1429","0.1503","","","","","","1.159","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512365","8.7782","0.0018","9.0316","0.0018","11.923","0.002","87.1","0.03","74.74","0.03","88.77","0.03","910.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N4 O6 S2 -","- C13 H20 N4 O6 S2 -","- C26 H40 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0677","0.046","","","0.1097","0.1211","","","","","","1.043","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512366","12.65","0.003","9.4099","0.0019","15.893","0.003","90","","98.67","0.03","90","","1870.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N4 O6 S2 -","- C14 H22 N4 O6 S2 -","- C56 H88 N16 O24 S8 -","4","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0667","0.0564","","","0.1428","0.1497","","","","","","1.154","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512367","12.275","0.003","10.37","0.002","16.802","0.003","90","","93.89","0.03","90","","2133.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N4 O6 S2 -","- C15 H24 N4 O6 S2 -","- C60 H96 N16 O24 S8 -","4","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0701","0.0484","","","0.1145","0.1253","","","","","","1.02","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512368","7.9285","0.0016","8.0601","0.0016","14.012","0.003","81.25","0.03","84.47","0.03","87.88","0.03","880.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N5 O6 S2 -","- C14 H17 N5 O6 S2 -","- C28 H34 N10 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0681","0.0454","","","0.1027","0.1137","","","","","","1.055","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512369","8.1391","0.0016","8.478","0.0017","12.896","0.003","87.42","0.03","80.55","0.03","84.57","0.03","873.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N5 O6 S2 -","- C14 H17 N5 O6 S2 -","- C28 H34 N10 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0757","0.0516","","","0.1073","0.1208","","","","","","1.06","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512370","8.0779","0.0016","8.2327","0.0016","14.159","0.003","87.74","0.03","78.03","0.03","89.8","0.03","920.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0561","0.0496","","","0.1411","0.1491","","","","","","0.818","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512371","19.191","0.004","13.172","0.003","7.9418","0.0016","90","","90","","90","","2007.6","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H21 N5 O7 S2 -","- C15 H19 N5 O7 S2 -","- C60 H76 N20 O28 S8 -","4","0.5","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0861","0.0641","","","0.1445","0.155","","","","","","1.14","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512372","18.712","0.004","13.224","0.003","8.1214","0.0016","90","","90","","90","","2009.6","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H23 N5 O7 S2 -","- C16 H21 N5 O7 S2 -","- C64 H84 N20 O28 S8 -","4","0.5","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0654","0.0531","","","0.1263","0.1328","","","","","","1.119","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512373","14.229","0.003","8.7979","0.0018","18.222","0.004","90","","112.11","0.03","90","","2113.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 N4 O6 S2 -","- C17 H26 N4 O6 S2 -","- C68 H104 N16 O24 S8 -","4","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.1101","0.0667","","","0.1352","0.1539","","","","","","1.082","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512374","6.1214","0.0012","17.328","0.003","19.009","0.004","90","","96.294","0.003","90","","2004.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O7 S -","- C20 H22 N2 O7 S -","- C80 H88 N8 O28 S4 -","4","1","","Liu, Hong-liang; Xie, Yi-Fei; Pan, Zhi-gang; Famulari, Antonino; Guo, Fang; Zhou, Zhongfu; Martí-Rujas, Javier","Cyclic Interconversion among Molecular Salts via Neat Grinding and Related Photoluminescence Properties","Crystal Growth & Design","2014","14","12","6528","","10.1021/cg5014329","","","0.71073","MoKα","","0.0885","0.047","","","0.1043","0.1238","","","","","","1.046","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512375","12.676","0.004","17.643","0.005","13.575","0.004","90","","114.989","0.003","90","","2751.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 O12 S2 -","- C27 H26 N2 O12 S2 -","- C108 H104 N8 O48 S8 -","4","1","","Liu, Hong-liang; Xie, Yi-Fei; Pan, Zhi-gang; Famulari, Antonino; Guo, Fang; Zhou, Zhongfu; Martí-Rujas, Javier","Cyclic Interconversion among Molecular Salts via Neat Grinding and Related Photoluminescence Properties","Crystal Growth & Design","2014","14","12","6528","","10.1021/cg5014329","","","0.71073","MoKα","","0.0486","0.037","","","0.093","0.1002","","","","","","1.03","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512376","13.692","0.013","10.075","0.01","22.69","0.02","90","","102.745","0.011","90","","3053","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 N4 O6 S -","- C33 H34 N4 O6 S -","- C132 H136 N16 O24 S4 -","4","1","","Liu, Hong-liang; Xie, Yi-Fei; Pan, Zhi-gang; Famulari, Antonino; Guo, Fang; Zhou, Zhongfu; Martí-Rujas, Javier","Cyclic Interconversion among Molecular Salts via Neat Grinding and Related Photoluminescence Properties","Crystal Growth & Design","2014","14","12","6528","","10.1021/cg5014329","","","0.71073","MoKα","","0.0567","0.0409","","","0.105","0.1151","","","","","","1.03","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512377","5.52386","0.00017","15.9591","0.0005","19.0897","0.0007","104.586","0.003","91.067","0.003","90.718","0.003","1628.09","0.1","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N8 O18 U2 -","- C16 H32 N8 O18 U2 -","- C32 H64 N16 O36 U4 -","2","1","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.71","MoKα","","0.0632","0.0386","","","0.0767","0.0868","","","","","","1.079","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512378","16.7336","0.0007","17.8778","0.0007","14.9349","0.0008","90","","110.211","0.005","90","","4192.8","0.4","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 N11 O2 S5 U -","- C29 H45 N11 O2 S5 U -","- C116 H180 N44 O8 S20 U4 -","4","1","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.7107","MoKα","","0.0763","0.0428","","","0.1","0.1173","","","","","","1.043","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512379","8.5341","0.0005","17.5319","0.001","8.8715","0.0006","90","","106.449","0.007","90","","1273.02","0.14","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 Cl4 N4 O2 U -","- C16 H30 Cl4 N4 O2 U -","- C32 H60 Cl8 N8 O4 U2 -","2","0.5","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.7107","MoKα","","0.0462","0.028","","","0.0598","0.0663","","","","","","1.033","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512380","8.3911","0.0003","17.3111","0.0005","8.8455","0.0003","90","","107.345","0.003","90","","1226.46","0.07","180.01","0.1","180.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 Cl4 N4 O2 U -","- C16 H30 Cl4 N4 O2 U -","- C32 H60 Cl8 N8 O4 U2 -","2","0.5","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.7107","MoKα","","0.0334","0.0276","","","0.0695","0.0737","","","","","","1.055","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512381","8.8731","0.0004","8.9844","0.0004","9.2813","0.0005","73.82","0.004","66.506","0.005","71.928","0.004","634.81","0.06","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 Cl4 N4 O2 U -","- C16 H30 Cl4 N4 O2 U -","- C16 H30 Cl4 N4 O2 U -","1","0.5","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.7107","MoKα","","0.0256","0.0254","","","0.0671","0.0671","","","","","","1.086","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512382","8.9048","0.0006","8.9663","0.0008","9.0618","0.0006","73.85","0.007","68.9","0.006","64.912","0.007","604.55","0.09","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 Cl4 N4 O2 U -","- C16 H30 Cl4 N4 O2 U -","- C16 H30 Cl4 N4 O2 U -","1","0.5","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.7107","MoKα","","0.0301","0.0297","","","0.0638","0.0642","","","","","","1.037","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512383","10.058","0.0004","9.7278","0.0004","10.4943","0.0004","90","","94.009","0.004","90","","1024.27","0.07","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Cl4 N4 O2 U -","- C12 H22 Cl4 N4 O2 U -","- C24 H44 Cl8 N8 O4 U2 -","2","0.5","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.7107","MoKα","","0.0429","0.0397","","","0.1012","0.106","","","","","","1.094","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512384","9.6181","0.0005","9.811","0.0005","12.0087","0.0006","90","","97.51","0.005","90","","1123.46","0.1","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cl4 N4 O2 U -","- C14 H26 Cl4 N4 O2 U -","- C28 H52 Cl8 N8 O4 U2 -","2","0.5","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.7107","MoKα","","0.0303","0.0207","","","0.0419","0.0469","","","","","","1.06","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512385","10.4266","0.001","13.6211","0.0007","10.4331","0.0009","90","","116.508","0.011","90","","1326","0.2","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 Cl4 N4 O2 U -","- C18 H34 Cl4 N4 O2 U -","- C36 H68 Cl8 N8 O4 U2 -","2","0.5","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.71073","MoKα","","0.057","0.0348","","","0.0748","0.0894","","","","","","1.013","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512386","10.3975","0.0002","13.52281","0.00019","10.3966","0.0002","90","","116.879","0.003","90","","1303.87","0.05","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 Cl4 N4 O2 U -","- C18 H34 Cl4 N4 O2 U -","- C36 H68 Cl8 N8 O4 U2 -","2","0.5","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","x-ray","0.71073","MoKα","","0.0226","0.0174","","","0.0376","0.0394","","","","","","1.055","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512387","8.8259","0.0014","12.51","0.002","9.9956","0.0016","90","","111.405","0.003","90","","1027.5","0.3","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C19 H22 Ag N O6 S2 -","- C19 H22 Ag N O6 S2 -","- C38 H44 Ag2 N2 O12 S4 -","2","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0512","0.0497","","","0.1198","0.1225","","","","","","1.073","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512388","19.5642","0.0014","8.9547","0.0006","25.1758","0.0018","90","","106.393","0.001","90","","4231.3","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Ag B F4 O3 S2 -","- C19 H22 Ag B F4 O3 S2 -","- C152 H176 Ag8 B8 F32 O24 S16 -","8","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.1304","0.0915","","","0.1978","0.2197","","","","","","1.166","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512389","10.1524","0.0006","19.0883","0.0012","13.0188","0.0008","90","","94.71","0.001","90","","2514.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Ag F3 O5 S2 -","- C23 H26 Ag F3 O5 S2 -","- C92 H104 Ag4 F12 O20 S8 -","4","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.089","0.0577","","","0.1137","0.1248","","","","","","1.065","","","","has coordinates,has disorder","179670","2020-10-21","18:00:00",""
"4512390","9.894","0.004","10.357","0.005","12.43","0.006","89.095","0.007","78.449","0.009","78.738","0.012","1223.5","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H52 Ag2 F6 O8 S6 -","- C46 H52 Ag2 F6 O8 S6 -","- C46 H52 Ag2 F6 O8 S6 -","1","0.5","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.1562","0.0592","","","0.1085","0.1401","","","","","","0.962","","","","has coordinates,has disorder","179670","2020-10-21","18:00:00",""
"4512391","12.6467","0.0006","16.1425","0.0007","24.7042","0.0011","90","","95.842","0.001","90","","5017.2","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 Cl2 Cu4 I4 O6 S4 -","- C39 H46 Cl2 Cu4 I4 O6 S4 -","- C156 H184 Cl8 Cu16 I16 O24 S16 -","4","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.073","0.0378","","","0.0924","0.1243","","","","","","1.116","","","","has coordinates,has disorder","179670","2020-10-21","18:00:00",""
"4512392","11.9075","0.0005","12.0382","0.0005","19.6302","0.0007","94.01","0.001","94.081","0.001","113.269","0.001","2563.65","0.18","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C41.8 H50.8 Cl0.4 Cu4 I4 N0.8 O6 S4 -","- C41.8 H50.8 Cl0.4 Cu4 I4 N0.8 O6 S4 -","- C83.6 H101.6 Cl0.8 Cu8 I8 N1.6 O12 S8 -","2","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0562","0.0416","","","0.1095","0.1278","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512393","17.1748","0.001","14.8738","0.0009","17.6476","0.001","90","","90","","90","","4508.2","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cu I O3 S2 -","- C21 H26 Cu I O3 S2 -","- C168 H208 Cu8 I8 O24 S16 -","8","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0875","0.0602","","","0.1391","0.1587","","","","","","1.09","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512394","10.9164","0.0008","16.9206","0.0012","12.5108","0.0009","90","","90.632","0.001","90","","2310.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cu I O2 S3 -","- C21 H26 Cu I O2 S3 -","- C84 H104 Cu4 I4 O8 S12 -","4","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0426","0.0382","","","0.0748","0.076","","","","","","1.332","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512395","8.7385","0.0007","11.8613","0.0009","13.8704","0.0011","108.661","0.001","91.514","0.001","109.843","0.001","1266.42","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 Hg2 I4 O6 S4 -","- C42 H52 Hg2 I4 O6 S4 -","- C42 H52 Hg2 I4 O6 S4 -","1","0.5","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0234","0.021","","","0.051","0.052","","","","","","1.073","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512396","18.1835","0.0008","7.67","0.0003","18.3764","0.0008","90","","92.201","0.001","90","","2561.02","0.19","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Hg I2 O2 S3 -","- C21 H26 Hg I2 O2 S3 -","- C84 H104 Hg4 I8 O8 S12 -","4","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0584","0.0391","","","0.0867","0.0964","","","","","","1.03","","","","has coordinates,has disorder","179670","2020-10-21","18:00:00",""
"4512397","19.8176","0.0013","11.1889","0.0007","14.1296","0.0013","90","","90","","90","","3133.1","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C25 H26 Hg2 N4 O3 S6 -","- C25 H26 Hg2 N4 O3 S6 -","- C100 H104 Hg8 N16 O12 S24 -","4","0.5","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0931","0.0427","","","0.0922","0.1132","","","","","","1.005","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512398","8.202","0.005","10.383","0.007","10.07","0.007","90","","94.826","0.01","90","","854.5","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 N Nd O7 P2 -","- C3 H8 N Nd O7 P2 -","- C12 H32 N4 Nd4 O28 P8 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D Lanthanide Phosphonates: Syntheses, Crystal Structure, Thermal Stability, Luminescence, and Magnetism","Crystal Growth & Design","2014","14","12","6197","","10.1021/cg501355t","","","0.71073","MoKα","","0.074","0.0688","","","0.1881","0.1905","","","","","","1.265","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512399","9.965","0.004","8.17","0.003","10.155","0.004","90","","90","","90","","826.8","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H8 N O7 P2 Tb -","- C3 H8 N O7 P2 Tb -","- C12 H32 N4 O28 P8 Tb4 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D Lanthanide Phosphonates: Syntheses, Crystal Structure, Thermal Stability, Luminescence, and Magnetism","Crystal Growth & Design","2014","14","12","6197","","10.1021/cg501355t","","","0.71073","MoKα","","0.0259","0.0251","","","0.0652","0.0655","","","","","","1.098","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512400","9.9759","0.0014","8.2021","0.0017","10.2816","0.0016","90","","90","","90","","841.3","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H8 N O7 P2 Sm -","- C3 H8 N O7 P2 Sm -","- C12 H32 N4 O28 P8 Sm4 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D Lanthanide Phosphonates: Syntheses, Crystal Structure, Thermal Stability, Luminescence, and Magnetism","Crystal Growth & Design","2014","14","12","6197","","10.1021/cg501355t","","","0.71073","MoKα","","0.0291","0.0284","","","0.065","0.0653","","","","","","1.048","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512401","9.9906","0.001","8.1942","0.0009","10.2599","0.0012","90","","90","","90","","839.93","0.16","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H8 Eu N O7 P2 -","- C3 H8 Eu N O7 P2 -","- C12 H32 Eu4 N4 O28 P8 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D Lanthanide Phosphonates: Syntheses, Crystal Structure, Thermal Stability, Luminescence, and Magnetism","Crystal Growth & Design","2014","14","12","6197","","10.1021/cg501355t","","","0.71073","MoKα","","0.0302","0.029","","","0.0692","0.0698","","","","","","1.067","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512402","25.07","0.005","12.353","0.002","17.111","0.003","90","","122.56","0.03","90","","4466","2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","brucine 3.86-hydrate","brucine 3.86-hydrate","","- C23 H33.67 N2 O7.86 -","- C23 H32.717 N2 O7.855 -","- C184 H261.736 N16 O62.84 -","8","2","","Białońska, Agata; Ciunik, Zbigniew; Ilczyszyn, Maria M.; Siczek, Miłosz","Discrete Cuboidal 15- and 16-Membered Water Clusters in Brucine 3.86-Hydrate, Water Release and Its Consequences","Crystal Growth & Design","2014","14","12","6537","","10.1021/cg501437g","","","0.71073","MoKα","","0.0704","0.0432","","","0.0787","0.0877","","","","","","0.922","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512403","8.323","0.002","12.764","0.003","10.191","0.002","90","","115.88","0.02","90","","974.1","0.4","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","anhydrous brucine","anhydrous brucine","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C46 H52 N4 O8 -","2","1","","Białońska, Agata; Ciunik, Zbigniew; Ilczyszyn, Maria M.; Siczek, Miłosz","Discrete Cuboidal 15- and 16-Membered Water Clusters in Brucine 3.86-Hydrate, Water Release and Its Consequences","Crystal Growth & Design","2014","14","12","6537","","10.1021/cg501437g","","","0.71073","MoKα","","0.3255","0.048","","","0.0444","0.0707","","","","","","0.673","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512404","28.5893","0.001","41.9618","0.0015","12.0642","0.0004","90","","90","","90","","14472.9","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C72 H82 Cd N10 O8 -","- C56 H42 Cd N6 O2 -","- C448 H336 Cd8 N48 O16 -","8","1","","Qin, Ling; Jia, Hai-Lang; Guo, Zi-Jian; Zheng, He-Gen","Molecular Tectonics of Four-Connected Network Topologies by Regulating the Ratios of Tetrahedral and Square-Planar Building Units","Crystal Growth & Design","2014","14","12","6607","","10.1021/cg501508e","","","0.71073","MoKα","","0.0728","0.0448","","","0.1263","0.1318","","","","","","0.952","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4512405","8.8305","0.0006","19.9787","0.0015","25.7425","0.0019","90","","96.821","0.001","90","","4509.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H41 Cd N4 O5 -","- C52 H41 Cd N4 O5 -","- C208 H164 Cd4 N16 O20 -","4","1","","Qin, Ling; Jia, Hai-Lang; Guo, Zi-Jian; Zheng, He-Gen","Molecular Tectonics of Four-Connected Network Topologies by Regulating the Ratios of Tetrahedral and Square-Planar Building Units","Crystal Growth & Design","2014","14","12","6607","","10.1021/cg501508e","","","0.71073","MoKα","","0.0631","0.0431","","","0.1072","0.1121","","","","","","1.029","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4512406","13.7355","0.0012","40.624","0.004","20.8303","0.0019","90","","90","","90","","11623.1","1.9","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C51 H55 N6 O10 Zn -","- C42 H28 N4 O4 Zn -","- C336 H224 N32 O32 Zn8 -","8","1","","Qin, Ling; Jia, Hai-Lang; Guo, Zi-Jian; Zheng, He-Gen","Molecular Tectonics of Four-Connected Network Topologies by Regulating the Ratios of Tetrahedral and Square-Planar Building Units","Crystal Growth & Design","2014","14","12","6607","","10.1021/cg501508e","","","0.71073","MoKα","","0.1178","0.0782","","","0.2045","0.218","","","","","","1.055","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4512407","11.632","0.002","27.86","0.006","31.017","0.007","90","","90","","90","","10052","4","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C46 H30 Co2 N2 O8 -","- C46 H30 Co2 N2 O8 -","- C368 H240 Co16 N16 O64 -","8","1","","Jasuja, Himanshu; Jiao, Yang; Burtch, Nicholas C.; Huang, You-gui; Walton, Krista S.","Synthesis of cobalt-, nickel-, copper-, and zinc-based, water-stable, pillared metal-organic frameworks.","Langmuir : the ACS journal of surfaces and colloids","2014","30","47","14300","14307","10.1021/la503269f","","","0.71073","MoKα","","0.0914","0.063","","","0.1517","0.1625","","","","","","1.071","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512451","32.425","0.005","32.425","0.005","9.34","0.0019","90","","90","","120","","8504","3","170","2","170","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C396 H270 Co9 I3 N54 -","- C396 H270 Co9 I2.97 N54 -","- C396 H270 Co9 I2.97 N54 -","1","0.0555556","","Chae, Seung Hyun; Kim, Hyun-Chul; Lee, Young Sun; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee; Lee, Suk Joong","Thermally Robust 3-D Co-DpyDtolP-MOF with Hexagonally Oriented Micropores: Formation of Polyiodine Chains in a MOF Single Crystal","Crystal Growth & Design","2014","","","141201145535002","","10.1021/cg501324r","","","0.71073","MoKα","","0.1792","0.0649","","","0.1424","0.1729","","","","","","0.854","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512452","32.721","0.005","32.721","0.005","9.316","0.0019","90","","90","","120","","8638","3","170","2","170","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C132.5 H90 Co3 N18 O -","- C132.5 H90 Co3 N18 O -","- C397.5 H270 Co9 N54 O3 -","3","0.166667","","Chae, Seung Hyun; Kim, Hyun-Chul; Lee, Young Sun; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee; Lee, Suk Joong","Thermally Robust 3-D Co-DpyDtolP-MOF with Hexagonally Oriented Micropores: Formation of Polyiodine Chains in a MOF Single Crystal","Crystal Growth & Design","2014","","","141201145535002","","10.1021/cg501324r","","","0.71073","MoKα","","0.0651","0.0458","","","0.1194","0.1282","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512453","32.6467","0.0011","32.6467","0.0011","9.2525","0.0004","90","","90","","120","","8540.2","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C44 H30 Co N6 -","- C44 H30 Co N6 -","- C396 H270 Co9 N54 -","9","0.5","","Chae, Seung Hyun; Kim, Hyun-Chul; Lee, Young Sun; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee; Lee, Suk Joong","Thermally Robust 3-D Co-DpyDtolP-MOF with Hexagonally Oriented Micropores: Formation of Polyiodine Chains in a MOF Single Crystal","Crystal Growth & Design","2014","","","141201145535002","","10.1021/cg501324r","","","1.54178","CuKα","","0.0877","0.0495","","","0.0851","0.0982","","","","","","1.025","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4513661","12.3353","0.0013","7.9515","0.0008","14.7011","0.0016","90","","113.236","0.01","90","","1325","0.3","210.01","0.1","210.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 B F4 I N2 -","- C10 H10 B F4 I N2 -","- C40 H40 B4 F16 I4 N8 -","4","0.5","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","x-ray","0.7107","MoKα","","0.1488","0.0386","","","0.0873","0.1331","","","","1.48","1.48","1.2","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4513662","12.4327","0.0008","8.0829","0.0005","14.8445","0.0012","90","0.006","113.272","0.007","90","0.005","1370.39","0.18","250","","250","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl I N2 O4 -","- C10 H10 Cl I N2 O4 -","- C40 H40 Cl4 I4 N8 O16 -","4","0.5","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","x-ray","0.6889","X-ray","","0.1039","0.0767","","","0.1195","0.1262","","","","4.19","4.19","3.41","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4517060","40.457","0.005","3.9423","0.0006","10.2361","0.0014","90","","91.359","0.012","90","","1632.1","0.4","292","2","292","2","","","","","","","see text","4","C 1 2 1","C 2y","5","","7,9-di(thiophen-2-yl)-8H-cyclopenta[a]acenaphthylen-8-one","","- C23 H12 O S2 -","- C23 H12 O S2 -","- C92 H48 O4 S8 -","4","1","","Bai, Monalisa; Thomas, Sajesh P.; Kottokkaran, Ranjith; Nayak, Susanta K.; Ramamurthy, Praveen C.; Guru Row, T. N.","A Donor‒Acceptor‒Donor Structured Organic Conductor with S···S Chalcogen Bonding","Crystal Growth & Design","2014","14","2","459","","10.1021/cg401069y","","x-ray","0.71073","MoKα","","0.1221","0.0882","","","0.2207","0.2477","","","","","","1.04","","","","has coordinates","239717","2020-10-21","18:00:00",""
"4517076","6.9834","0.0004","22.5744","0.001","8.9244","0.0006","90","","100.225","0.006","90","","1384.55","0.14","298","2","298","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid‒Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.1209","0.0686","","","0.1128","0.144","","","","","","1.013","","","","has coordinates","239733","2020-10-21","18:00:00",""
"4517077","6.9342","0.0005","22.5168","0.001","8.935","0.0006","90","","100.661","0.007","90","","1370.99","0.15","250","2","250","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid‒Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.0963","0.0623","","","0.0995","0.1173","","","","","","1.019","","","","has coordinates","239733","2020-10-21","18:00:00",""
"4517078","6.8902","0.0005","22.481","0.0009","8.9485","0.0005","90","","101.021","0.006","90","","1360.55","0.14","200","2","200","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid‒Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.0851","0.0605","","","0.1049","0.1188","","","","","","1.012","","","","has coordinates","239733","2020-10-21","18:00:00",""
"4517079","6.8714","0.0004","22.4993","0.0013","8.9878","0.0004","90","","101.362","0.005","90","","1362.3","0.13","150","2","150","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid‒Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.077","0.0577","","","0.1029","0.1141","","","","","","1.02","","","","has coordinates","239733","2020-10-21","18:00:00",""
"4517080","6.8406","0.0004","22.4497","0.0009","8.9864","0.0005","90","","101.49","0.005","90","","1352.38","0.12","120","2","120","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid‒Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.074","0.0565","","","0.1036","0.1151","","","","","","1.035","","","","has coordinates","239733","2020-10-21","18:00:00",""
"4517081","6.8278","0.0004","22.4357","0.0008","8.9943","0.0005","90","","101.65","0.005","90","","1349.42","0.12","100","2","100","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid‒Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.0711","0.0549","","","0.1058","0.116","","","","","","1.018","","","","has coordinates","239733","2020-10-21","18:00:00",""
"4517082","8.6468","0.0009","11.9143","0.0009","13.3865","0.001","94.405","0.006","99.33","0.007","108.945","0.008","1274.7","0.2","110","2","110","2","","","","","","","see text","4","P -1","-P 1","2","gallic acid isoniazid","","","- C13 H13 N3 O6 -","- C13 H13 N3 O6 -","- C52 H52 N12 O24 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid‒Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.0876","0.0538","","","0.1135","0.1314","","","","","","0.993","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4517083","8.7747","0.0011","11.9694","0.0012","13.4401","0.0012","93.376","0.008","98.452","0.009","107.854","0.01","1320.9","0.3","433","2","433","2","","","","","","","see text","4","P -1","-P 1","2","gallic acid isoniazid","","","- C13 H13 N3 O6 -","- C13 H13 N3 O6 -","- C52 H52 N12 O24 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid‒Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.146","0.0846","","","0.2127","0.2491","","","","","","1.025","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4517084","8.7921","0.0003","18.1758","0.0006","8.9442","0.0003","90","","98.5197","0.0004","90","","1413.54","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Ag N2 O7 U -","- C12 H9 Ag N2 O7 U -","- C48 H36 Ag4 N8 O28 U4 -","4","1","","Kerr, Andrew T.; Cahill, Christopher L.","Postsynthetic Rearrangement/Metalation as a Route to Bimetallic Uranyl Coordination Polymers: Syntheses, Structures, and Luminescence","Crystal Growth & Design","2014","14","4","1914","","10.1021/cg500050q","","x-ray","0.71073","MoKα","","0.0245","0.0217","","","0.05","0.0508","","","","","","1.157","","","","has coordinates","239735","2020-10-21","18:00:00",""
"4517085","8.6901","0.0011","10.6622","0.0014","10.7588","0.0014","71.659","0.002","80.212","0.002","84.494","0.002","931.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H12 Cl Cu N2 O11 U2 -","- C12 H8 Cl Cu N2 O11 U2 -","- C24 H16 Cl2 Cu2 N4 O22 U4 -","2","1","","Kerr, Andrew T.; Cahill, Christopher L.","Postsynthetic Rearrangement/Metalation as a Route to Bimetallic Uranyl Coordination Polymers: Syntheses, Structures, and Luminescence","Crystal Growth & Design","2014","14","4","1914","","10.1021/cg500050q","","x-ray","0.71073","MoKα","","0.0558","0.0423","","","0.0919","0.0969","","","","","","0.994","","","","has coordinates","239735","2020-10-21","18:00:00",""
"4517086","27.122","0.004","11.1223","0.0015","13.543","0.0018","90","","90","","90","","4085.4","1","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C36 H32 Cu2 N6 O18 U -","- C36 H28 Cu2 N6 O18 U -","- C144 H112 Cu8 N24 O72 U4 -","4","0.25","","Kerr, Andrew T.; Cahill, Christopher L.","Postsynthetic Rearrangement/Metalation as a Route to Bimetallic Uranyl Coordination Polymers: Syntheses, Structures, and Luminescence","Crystal Growth & Design","2014","14","4","1914","","10.1021/cg500050q","","x-ray","0.71073","MoKα","","0.0666","0.0364","","","0.091","0.1057","","","","","","0.987","","","","has coordinates,has disorder","239735","2020-10-21","18:00:00",""
"4517087","6.8789","0.0003","17.7009","0.0008","11.7679","0.0006","90","","105.11","0.002","90","","1383.35","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Ag N3 O3 P -","- C8 H16 Ag N3 O3 P -","- C32 H64 Ag4 N12 O12 P4 -","4","1","","Jaros, Sabina W.; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Oliveira, M. Conceição; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Aliphatic Dicarboxylate Directed Assembly of Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Networks: Topological Versatility and Antimicrobial Activity","Crystal Growth & Design","2014","14","11","5408","","10.1021/cg500557r","","","0.71069","MoKα","","0.0916","0.0817","","","0.1796","0.1829","","","","","","1.154","","","","has coordinates","239736","2020-10-21","18:00:00",""
"4517088","26.089","0.003","6.8425","0.0007","18.7014","0.0019","90","","127.053","0.002","90","","2664.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H20 Ag N3 O4 P -","- C9 H20 Ag N3 O4 P -","- C72 H160 Ag8 N24 O32 P8 -","8","1","","Jaros, Sabina W.; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Oliveira, M. Conceição; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Aliphatic Dicarboxylate Directed Assembly of Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Networks: Topological Versatility and Antimicrobial Activity","Crystal Growth & Design","2014","14","11","5408","","10.1021/cg500557r","","","0.71073","MoKα","","0.0514","0.039","","","0.0916","0.0974","","","","","","1.054","","","","has coordinates,has disorder","239736","2020-10-21","18:00:00",""
"4517089","7.1411","0.0007","12.8457","0.0012","14.2823","0.0014","90","","90","","90","","1310.2","0.2","150","2","150","2","","","","","","","","6","A e m 2","A 2 -2b","39","","","","- C9 H14 Ag2 N3 O4 P -","- C9 H14 Ag2 N3 O4 P -","- C36 H56 Ag8 N12 O16 P4 -","4","0.5","","Jaros, Sabina W.; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Oliveira, M. Conceição; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Aliphatic Dicarboxylate Directed Assembly of Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Networks: Topological Versatility and Antimicrobial Activity","Crystal Growth & Design","2014","14","11","5408","","10.1021/cg500557r","","","0.71073","MoKα","","0.0246","0.0237","","","0.0563","0.0569","","","","","","1.089","","","","has coordinates","239736","2020-10-21","18:00:00",""
"4517090","45.3447","0.0007","45.3447","0.0007","11.2994","0.0003","90","","90","","90","","23233.2","0.8","122.8","0.5","122.8","0.5","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H38 Cu N8 Nd2 O25 -","- C48 H38 Cu N8 Nd2 O25 -","- C768 H608 Cu16 N128 Nd32 O400 -","16","1","","Liu, Ke; Zhou, Jing-Min; Li, Hui-Min; Xu, Na; Cheng, Peng","A Series of CuII‒LnIII Metal‒Organic Frameworks Based on 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6409","","10.1021/cg5012617","","","0.71073","MoKα","","0.0621","0.0391","","","0.0825","0.0892","","","","","","1.025","","","","has coordinates","239737","2020-10-21","18:00:00",""
"4517091","11.2835","0.0003","22.3634","0.0007","27.3143","0.0014","90","","99.148","0.004","90","","6804.8","0.5","120","","120","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H42 Cu2 Eu2 N10 O35 -","- C60 H42 Cu2 Eu2 N10 O35 -","- C240 H168 Cu8 Eu8 N40 O140 -","4","1","","Liu, Ke; Zhou, Jing-Min; Li, Hui-Min; Xu, Na; Cheng, Peng","A Series of CuII‒LnIII Metal‒Organic Frameworks Based on 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6409","","10.1021/cg5012617","","","0.71073","MoKα","","0.0981","0.0592","","","0.1203","0.1501","","","","","","1.075","","","","has coordinates","239737","2020-10-21","18:00:00",""
"4517092","11.252","0.001","22.3034","0.0009","27.1573","0.0015","90","","98.299","0.006","90","","6744","0.8","125.1","0.2","125.1","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H42 Cu2 N10 O35 Tb2 -","- C60 H42 Cu2 N10 O35 Tb2 -","- C240 H168 Cu8 N40 O140 Tb8 -","4","1","","Liu, Ke; Zhou, Jing-Min; Li, Hui-Min; Xu, Na; Cheng, Peng","A Series of CuII‒LnIII Metal‒Organic Frameworks Based on 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6409","","10.1021/cg5012617","","","0.71073","MoKα","","0.0857","0.0711","","","0.1789","0.1914","","","","","","1.072","","","","has coordinates,has disorder","239737","2020-10-21","18:00:00",""
"4517093","12.1832","0.0009","14.8529","0.0009","15.197","0.0009","92.957","0.005","105.125","0.006","110.694","0.006","2451.8","0.3","124.6","0.1","124.6","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Cu3 Dy N9 O25 -","- C48 H36 Cu3 Dy N9 O25 -","- C96 H72 Cu6 Dy2 N18 O50 -","2","1","","Liu, Ke; Zhou, Jing-Min; Li, Hui-Min; Xu, Na; Cheng, Peng","A Series of CuII‒LnIII Metal‒Organic Frameworks Based on 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6409","","10.1021/cg5012617","","","0.71073","MoKα","","0.1268","0.1136","","","0.2738","0.2825","","","","","","1.078","","","","has coordinates","239737","2020-10-21","18:00:00",""
"4517138","9.2693","0.0002","9.4061","0.0002","15.4687","0.0003","88.6025","0.0008","87.6725","0.0008","80.3371","0.0009","1328.24","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 Fe O2 P -","- C31 H33 Fe O2 P -","- C62 H66 Fe2 O4 P2 -","2","1","","Lanigan, Nicholas; Assoud, Abdeljalil; Wang, Xiaosong","Intermolecular Interactions of CpFePPh3(CO)CO(CH2)5CH3: From a Crystalline Solid to a Supramolecular “Iron-Truss” Polymer","ACS Macro Letters","2014","3","12","1281","","10.1021/mz5006603","","","0.71073","MoKα","","0.0588","0.0558","","","0.1123","0.1162","","","","","","1.133","","","","has coordinates","243459","2020-10-21","18:00:00",""
"4517139","41.3534","0.0006","64.6397","0.0009","8.1309","0.0001","90","","90","","90","","21734.5","0.5","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H31 Fe O2 P -","- C30 H31 Fe O2 P -","- C960 H992 Fe32 O64 P32 -","32","2","","Lanigan, Nicholas; Assoud, Abdeljalil; Wang, Xiaosong","Intermolecular Interactions of CpFePPh3(CO)CO(CH2)5CH3: From a Crystalline Solid to a Supramolecular “Iron-Truss” Polymer","ACS Macro Letters","2014","3","12","1281","","10.1021/mz5006603","","","0.71073","MoKα","","0.0813","0.0466","","","0.0755","0.079","","","","","","1.314","","","","has coordinates","243460","2020-10-21","18:00:00",""
"7028200","16.9566","0.0001","9.4777","0.0001","15.6185","0.0001","90","","108.341","0.001","90","","2382.53","0.04","223","2","223","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C25 H33 P -","- C25 H33 P -","- C100 H132 P4 -","4","1","","Möbus, Juri; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Borata-alkene derivatives conveniently made by frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","632","638","10.1039/c3dt52373j","","","1.54178","CuKα","","0.0759","0.0576","","","0.1289","0.1424","","","","","","1.035","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028201","15.3216","0.0005","9.6881","0.0003","19.8939","0.0007","90","","104.373","0.002","90","","2860.57","0.17","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 B F10 P -","- C31 H22 B F10 P -","- C124 H88 B4 F40 P4 -","4","1","","Möbus, Juri; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Borata-alkene derivatives conveniently made by frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","632","638","10.1039/c3dt52373j","","","1.54178","CuKα","","0.0505","0.0425","","","0.1115","0.1182","","","","","","1.022","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028202","12.6876","0.0002","16.4138","0.0002","16.9396","0.0003","90","","108.068","0.001","90","","3353.75","0.09","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 B F10 P -","- C37 H30 B F10 P -","- C148 H120 B4 F40 P4 -","4","1","","Möbus, Juri; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Borata-alkene derivatives conveniently made by frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","632","638","10.1039/c3dt52373j","","","0.71073","MoKα","","0.0662","0.0544","","","0.1324","0.1428","","","","","","1.067","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028203","13.6441","0.0002","18.2561","0.0003","15.9218","0.0003","90","","90.599","0.001","90","","3965.71","0.11","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H42 B F10 P -","- C43 H42 B F10 P -","- C172 H168 B4 F40 P4 -","4","1","","Möbus, Juri; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Borata-alkene derivatives conveniently made by frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","632","638","10.1039/c3dt52373j","","","0.71073","MoKα","","0.1016","0.0665","","","0.1132","0.1314","","","","","","1.103","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028204","11.1581","0.0002","14.1182","0.0003","11.586","0.0002","90","","117.115","0.001","90","","1624.57","0.06","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl2 P -","- C15 H23 Cl2 P -","- C60 H92 Cl8 P4 -","4","1","","Möbus, Juri; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Borata-alkene derivatives conveniently made by frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","632","638","10.1039/c3dt52373j","","","0.71073","MoKα","","0.0403","0.0348","","","0.0884","0.093","","","","","","1.046","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028205","11.6964","0.0002","20.4165","0.0004","29.0322","0.0005","91.626","0.001","90.65","0.001","96.328","0.001","6887.1","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H72 F6 Fe2 Mo2 N10 O12 S2 -","- C62 H72 F6 Fe2 Mo2 N10 O12 S2 -","- C248 H288 F24 Fe8 Mo8 N40 O48 S8 -","4","2","","Falkenhagen, Jan P.; Limberg, Christian; Demeshko, Serhiy; Horn, Sebastian; Haumann, Michael; Braun, Beatrice; Mebs, Stefan","Iron-molybdenum-oxo complexes as initiators for olefin autoxidation with O2.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","806","816","10.1039/c3dt52349g","","","0.71073","MoKα","","0.0864","0.0575","","","0.1373","0.1486","","","","","","0.99","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028206","19.2094","0.0006","14.0319","0.0003","14.447","0.0004","90","","106.646","0.002","90","","3730.92","0.18","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 F3 Mo N6 O6 S Zn -","- C33 H39 F3 Mo N6 O6 S Zn -","- C132 H156 F12 Mo4 N24 O24 S4 Zn4 -","4","1","","Falkenhagen, Jan P.; Limberg, Christian; Demeshko, Serhiy; Horn, Sebastian; Haumann, Michael; Braun, Beatrice; Mebs, Stefan","Iron-molybdenum-oxo complexes as initiators for olefin autoxidation with O2.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","806","816","10.1039/c3dt52349g","","","0.71073","MoKα","","0.1027","0.0863","","","0.207","0.2174","","","","","","1.081","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028207","14.1365","0.0004","14.2503","0.0006","37.6652","0.001","90","","108.311","0.0019","90","","7203.4","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H74 Co2 F6 Mo2 N9 O12.5 S2 -","- C62 H74 Co2 F6 Mo2 N9 O12.5 S2 -","- C248 H296 Co8 F24 Mo8 N36 O50 S8 -","4","1","","Falkenhagen, Jan P.; Limberg, Christian; Demeshko, Serhiy; Horn, Sebastian; Haumann, Michael; Braun, Beatrice; Mebs, Stefan","Iron-molybdenum-oxo complexes as initiators for olefin autoxidation with O2.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","806","816","10.1039/c3dt52349g","","","0.71073","MoKα","","0.103","0.0805","","","0.2049","0.2151","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028208","24.08","0.005","15.135","0.003","16.79","0.003","90","","116.26","0.03","90","","5488","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 Co2 F6 Mo2 N12 O14 S2 -","- C46 H48 Co2 F6 Mo2 N12 O14 S2 -","- C184 H192 Co8 F24 Mo8 N48 O56 S8 -","4","0.5","","Falkenhagen, Jan P.; Limberg, Christian; Demeshko, Serhiy; Horn, Sebastian; Haumann, Michael; Braun, Beatrice; Mebs, Stefan","Iron-molybdenum-oxo complexes as initiators for olefin autoxidation with O2.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","806","816","10.1039/c3dt52349g","","","0.71073","MoKα","","0.0854","0.0568","","","0.1289","0.1326","","","","","","0.877","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028209","8.2347","0.0004","10.7794","0.0006","11.9562","0.0006","88.958","0.004","86.074","0.004","89.14","0.005","1058.53","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Fe2 Mo2 N10 O8 -","- C40 H42 Fe2 Mo2 N10 O8 -","- C40 H42 Fe2 Mo2 N10 O8 -","1","0.5","","Falkenhagen, Jan P.; Limberg, Christian; Demeshko, Serhiy; Horn, Sebastian; Haumann, Michael; Braun, Beatrice; Mebs, Stefan","Iron-molybdenum-oxo complexes as initiators for olefin autoxidation with O2.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","806","816","10.1039/c3dt52349g","","","0.71073","MoKα","","0.0477","0.0373","","","0.088","0.0895","","","","","","0.904","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028210","10.0539","0.0004","14.1854","0.0005","16.1221","0.0007","84.611","0.003","78.11","0.003","78.873","0.003","2204.17","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H36 F6 Fe2 Mo N8 O11 S2 -","- C38 H36 F6 Fe2 Mo N8 O11 S2 -","- C76 H72 F12 Fe4 Mo2 N16 O22 S4 -","2","1","","Falkenhagen, Jan P.; Limberg, Christian; Demeshko, Serhiy; Horn, Sebastian; Haumann, Michael; Braun, Beatrice; Mebs, Stefan","Iron-molybdenum-oxo complexes as initiators for olefin autoxidation with O2.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","806","816","10.1039/c3dt52349g","","","0.71073","MoKα","","0.0451","0.0313","","","0.0722","0.0773","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7028211","7.5005","0.0015","11.811","0.002","11.636","0.002","90","","91.154","0.003","90","","1030.6","0.3","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C7 H7 F5 N2 O2 V2 -","- C7 H7 F5 N2 O2 V2 -","- C28 H28 F20 N8 O8 V8 -","4","2","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.7749","synchrotron","","0.1104","0.0492","","","0.0857","0.1029","","","","","","0.939","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028212","7.551","0.003","11.904","0.005","19.349","0.008","90","","90","","90","","1739.2","1.2","93","2","93","2","","","","","","","","6","P c m n","-P 2n 2ac","62","","","","- C4 H5 F5 N2 O2 V2 -","- C4 H5 F5 N2 O2 V2 -","- C32 H40 F40 N16 O16 V16 -","8","1","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.71073","MoKα","","0.1414","0.0931","","","0.2793","0.3293","","","","","","1.109","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028213","7.17","0.003","17.333","0.007","7.37","0.004","90","","118.053","0.001","90","","808.3","0.6","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H5 F5 N2 O2 V2 -","- C3 H5 F5 N2 O2 V2 -","- C12 H20 F20 N8 O8 V8 -","4","2","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.71073","MoKα","","0.0468","0.0395","","","0.0772","0.0815","","","","","","1.013","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028214","5.0096","0.0014","10.826","0.0003","7.288","0.007","90","","95.943","0.001","90","","393.1","0.4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 F4 N2 O2 V2 -","- C4 H4 F4 N2 O2 V2 -","- C8 H8 F8 N4 O4 V4 -","2","0.5","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.71073","MoKα","","0.0337","0.0262","","","0.054","0.0565","","","","","","1.069","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028215","3.861","0.003","6.664","0.004","19.84","0.013","90","","90","","90","","510.5","0.6","93","2","93","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C3 H9 F6 N3 O2 V2 -","- C3 H9 F6 N3 O2 V2 -","- C6 H18 F12 N6 O4 V4 -","2","0.5","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.71073","MoKα","","0.0436","0.0386","","","0.0825","0.0836","","","","","","1.165","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028216","3.8572","0.0013","6.4795","0.0002","20.051","0.0006","90","","90","","90","","501.13","0.17","93","2","93","2","","","","","","","","7","P 2 2 21","P 2c 2","17","","","","- C3 H5 F6 K N2 O2 V2 -","- C3 H5 F6 K N2 O2 V2 -","- C6 H10 F12 K2 N4 O4 V4 -","2","0.5","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.71073","MoKα","","0.0583","0.0528","","","0.1421","0.1746","","","","","","1.263","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028217","3.828","0.002","7.496","0.004","19.2021","0.001","90","","90","","90","","551","0.4","93","2","93","2","","","","","","","","6","P m c b","-P 2bc 2","55","","","","- C2 H8 F3 N O V -","- C2 H6 F3 N O V -","- C8 H24 F12 N4 O4 V4 -","4","0.5","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.71073","MoKα","","0.1114","0.0839","","","0.1612","0.1737","","","","","","1.15","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028218","24.5014","0.001","3.8344","0.0013","18.979","0.007","90","","105.454","0.007","90","","1718.6","0.9","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 F3 N2 O V -","- C7 H7 F3 N2 O V -","- C56 H56 F24 N16 O8 V8 -","8","1","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.71073","MoKα","","0.0874","0.0618","","","0.208","0.2644","","","","","","1.276","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028219","8.334","0.007","7.43","0.006","8.998","0.008","90","","114.75","0.002","90","","506","0.7","125","2","125","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H7 F6 N2 O2 V2 -","- C4 F6 N2 O2 V2 -","- C8 F12 N4 O4 V4 -","2","0.5","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.71073","MoKα","","0.0884","0.0803","","","0.1937","0.2078","","","","","","1.18","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028220","8.806","0.003","12.1","0.005","9.206","0.004","90","","106.301","0.002","90","","941.5","0.6","93","2","93","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C2 H10 F6 N2 O2 V2 -","- C2 H5 F6 N2 O2 V2 -","- C8 H20 F24 N8 O8 V8 -","4","1","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.71073","MoKα","","0.118","0.1123","","","0.2515","0.2551","","","","","","1.241","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028221","10.033","0.0019","10.038","0.0017","11.93","0.002","90","","110.17","0.003","90","","1127.8","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H14 F7 N2 O2 V2 -","- C6 F7 N2 O2 V2 -","- C24 F28 N8 O8 V8 -","4","0.5","","Aidoudi, Farida H.; Black, Cameron; Arachchige, Kasun S Athukorala; Slawin, Alexandra M. Z.; Morris, Russell E.; Lightfoot, Philip","Structural diversity in hybrid vanadium(IV) oxyfluorides based on a common building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","568","575","10.1039/c3dt52385c","","","0.71073","MoKα","","0.097","0.0871","","","0.2332","0.2486","","","","","","1.019","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028222","12.7824","0.0003","14.3194","0.0003","14.331","0.0003","60.252","0.001","83.734","0.001","68.442","0.001","2109.38","0.08","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H58 B2 K N3 P2 -","- C41 H58 B2 K N3 P2 -","- C82 H116 B4 K2 N6 P4 -","2","1","","Langer, Jens; Görls, Helmar","Synthesis, characterization and reactivity of potassium and barium complexes containing phosphane-borane stabilized methanides.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","458","468","10.1039/c3dt52257a","","","0.71073","MoKα","","0.0717","0.0589","","","0.1219","0.1316","","","","","","1.072","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028223","20.776","0.0005","9.2017","0.0002","34.0552","0.0009","90","","90","","90","","6510.5","0.3","133","2","133","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H50 Ba I2 O5 -","- C25 H50 Ba I2 O5 -","- C200 H400 Ba8 I16 O40 -","8","2","","Langer, Jens; Görls, Helmar","Synthesis, characterization and reactivity of potassium and barium complexes containing phosphane-borane stabilized methanides.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","458","468","10.1039/c3dt52257a","","","0.71073","MoKα","","0.0425","0.0403","","","0.0948","0.0962","","","","","","1.133","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028224","9.7745","0.0003","12.4549","0.0005","20.2138","0.0009","107.125","0.002","91.219","0.002","109.078","0.002","2203.67","0.15","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 B P2 -","- C25 H25 B P2 -","- C100 H100 B4 P8 -","4","2","","Langer, Jens; Görls, Helmar","Synthesis, characterization and reactivity of potassium and barium complexes containing phosphane-borane stabilized methanides.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","458","468","10.1039/c3dt52257a","","","0.71073","MoKα","","0.0896","0.0738","","","0.1841","0.1983","","","","","","1.166","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028225","7.924","0.0011","11.524","0.0017","31.625","0.004","90","","90","","90","","2887.9","0.7","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Tetraethylammonium aquachlorooxodiperoxomolybdate(VI)","Tetraethylammonium Aquachloridooxidodi(peroxido-κ^2^O,O)molybdate(VI)","","- C8 H22 Cl Mo N O6 -","- C8 H22 Cl Mo N O6 -","- C64 H176 Cl8 Mo8 N8 O48 -","8","2","","Saito, Masa-aki; Hashimoto, Masato","Synthesis, structure and spectroscopic analyses of aquachloridooxidodiperoxidomolybdate(VI).","Dalton transactions (Cambridge, England : 2003)","2014","43","2","402","405","10.1039/c3dt52848k","","","0.71069","MoKα","","0.035","0.0313","","","0.0625","0.0644","","","","","","1.093","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028226","8.219","0.004","11.656","0.005","13.671","0.006","90","","90","","90","","1309.7","1","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Triethylammonium aquachlorooxodiperoxomolybdate","Triethylmethylammonium Aquachloridooxidodi(peroxido-κ^2^O,O)molybdate(VI)","","- C7 H20 Cl Mo N O6 -","- C7 H20 Cl Mo N O6 -","- C28 H80 Cl4 Mo4 N4 O24 -","4","1","","Saito, Masa-aki; Hashimoto, Masato","Synthesis, structure and spectroscopic analyses of aquachloridooxidodiperoxidomolybdate(VI).","Dalton transactions (Cambridge, England : 2003)","2014","43","2","402","405","10.1039/c3dt52848k","","","0.71069","MoKα","","0.0337","0.0308","","","0.0685","0.0704","","","","","","1.066","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028227","8.7526","0.0009","10.1334","0.0008","12.2013","0.0014","68.135","0.001","86.462","0.002","70.968","0.001","947.23","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H52 O8 Sn4 Te2 -","- C26 H52 O8 Sn4 Te2 -","- C26 H52 O8 Sn4 Te2 -","1","0.5","","Ma, Chunlin; Cheng, Shuang; Hu, Zhengsong; Li, Qianli; Zhang, Rufen; Zhang, Shaoliang","Synthesis and characterization of a novel o-tolyltelluronic trimethyltin ester and its cytotoxic assessment in vitro.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","671","679","10.1039/c3dt52326h","","","0.71073","MoKα","","0.1645","0.0817","","","0.1946","0.2803","","","","","","1.068","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028228","15.9574","0.0004","6.0364","0.0001","14.9838","0.0003","90","","110.936","0.001","90","","1348.03","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","1","","Sanmartín-Matalobos, Jesus; García-Deibe, Ana M; Briones-Miguéns, Lucía; González-Bello, Concepcion; Portela-García, Cristina; Fondo, Matilde","Dual role of 2-tosylaminomethylaniline as a ligand and a nucleophile in the copper-mediated oxidation of methanol.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","722","728","10.1039/c3dt52460d","","","0.71073","MoKα","","0.0537","0.0382","","","0.0961","0.1042","","","","","","1.033","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7028229","39.6711","0.0009","5.3418","0.0001","20.25","0.0005","90","","104.292","0.002","90","","4158.47","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 Cd F6 N2 O6 -","- C40 H38 Cd F6 N2 O6 -","- C160 H152 Cd4 F24 N8 O24 -","4","0.5","","Nie, Cuiyun; Zhang, Qiong; Ding, Hongjuan; Huang, Bei; Wang, Xinyan; Zhao, Xianghua; Li, Shengli; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Two novel six-coordinated cadmium(II) and zinc(II) complexes from carbazate β-diketonate: crystal structures, enhanced two-photon absorption and biological imaging application.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","599","608","10.1039/c3dt51318a","","","0.71073","MoKα","","0.0852","0.0646","","","0.2065","0.2271","","","","","","1.08","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028230","39.0836","0.0013","5.2684","0.0002","20.2085","0.0006","90","","103.911","0.002","90","","4039","0.2","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 F6 N2 O6 Zn -","- C40 H38 F6 N2 O6 Zn -","- C160 H152 F24 N8 O24 Zn4 -","4","0.5","","Nie, Cuiyun; Zhang, Qiong; Ding, Hongjuan; Huang, Bei; Wang, Xinyan; Zhao, Xianghua; Li, Shengli; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Two novel six-coordinated cadmium(II) and zinc(II) complexes from carbazate β-diketonate: crystal structures, enhanced two-photon absorption and biological imaging application.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","599","608","10.1039/c3dt51318a","","","0.71073","MoKα","","0.1502","0.0932","","","0.2804","0.3292","","","","","","1.102","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028231","11.8915","0.0008","15.4151","0.0011","14.5332","0.0011","90","","93.245","0.002","90","","2659.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cl N2 O P Pd -","- C28 H28 Cl N2 O P Pd -","- C112 H112 Cl4 N8 O4 P4 Pd4 -","4","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","Cyclopalladated complexes derived from benzamidoxime.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","592","598","10.1039/c3dt51867a","","","0.71073","MoKα","","0.0263","0.024","","","0.0623","0.0636","","","","","","1.066","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028232","14.058","0.007","11.058","0.005","14.952","0.007","90","","94.647","0.008","90","","2316.7","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Cl N4 O Pd -","- C25 H25 Cl N4 O Pd -","- C100 H100 Cl4 N16 O4 Pd4 -","4","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","Cyclopalladated complexes derived from benzamidoxime.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","592","598","10.1039/c3dt51867a","","","0.71073","MoKα","","0.0339","0.0304","","","0.0751","0.0776","","","","","","1.047","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028233","9.4517","0.0009","11.4744","0.0011","14.6828","0.0014","101.775","0.002","93.311","0.002","94.011","0.002","1550.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Cl N3 O5 P Pd -","- C34 H33 Cl N3 O5 P Pd -","- C68 H66 Cl2 N6 O10 P2 Pd2 -","2","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","Cyclopalladated complexes derived from benzamidoxime.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","592","598","10.1039/c3dt51867a","","","0.71073","MoKα","","0.0288","0.0274","","","0.0679","0.0688","","","","","","1.039","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028234","25.9442","0.0011","21.3161","0.0009","20.3264","0.0008","90","","121.104","0.002","90","","9625","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H53 Cl N6 O5 Pd2 -","- C43 H53 Cl N6 O5 Pd2 -","- C344 H424 Cl8 N48 O40 Pd16 -","8","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","Cyclopalladated complexes derived from benzamidoxime.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","592","598","10.1039/c3dt51867a","","","1.54178","CuKα","","0.0772","0.0703","","","0.1754","0.1837","","","","","","1.179","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028235","13.2165","0.0013","9.0119","0.001","14.5162","0.0016","90","","91.457","0.012","90","","1728.4","0.3","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 Cl Co Cu N6 O11 -","- C6 H22 Cl Co Cu N6 O11 -","- C24 H88 Cl4 Co4 Cu4 N24 O44 -","4","1","","Pascu, Gabriel; Deville, Claire; Clifford, Sarah E.; Guenée, Laure; Besnard, Céline; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Tuna, Floriana; McInnes, Eric J. L.; Winpenny, Richard E. P.; Williams, Alan F.","The coordination chemistry of tartronic acid with copper: magnetic studies of a quasi-equilateral tricopper triangle.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","656","662","10.1039/c3dt51838h","","","0.71073","MoKα","","0.04","0.0298","","0.0633","0.058","0.0603","","","","","","1.1777","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028236","9.7676","0.0004","8.5338","0.0003","25.7855","0.0007","90","","94.527","0.003","90","","2142.64","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Cu3 O20 Rb3 -","- C9 H13 Cu3 O20 Rb3 -","- C36 H52 Cu12 O80 Rb12 -","4","1","","Pascu, Gabriel; Deville, Claire; Clifford, Sarah E.; Guenée, Laure; Besnard, Céline; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Tuna, Floriana; McInnes, Eric J. L.; Winpenny, Richard E. P.; Williams, Alan F.","The coordination chemistry of tartronic acid with copper: magnetic studies of a quasi-equilateral tricopper triangle.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","656","662","10.1039/c3dt51838h","","","1.54184","CuKα","","0.0455","0.04","","","0.1163","0.1208","","","","","","1.291","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028237","8.5543","0.0003","11.2377","0.0004","12.8604","0.0005","74.196","0.004","88.056","0.003","69.815","0.003","1114.02","0.08","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Cu3 O20 Rb3 -","- C9 H6 Cu3 O20 Rb3 -","- C18 H12 Cu6 O40 Rb6 -","2","1","","Pascu, Gabriel; Deville, Claire; Clifford, Sarah E.; Guenée, Laure; Besnard, Céline; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Tuna, Floriana; McInnes, Eric J. L.; Winpenny, Richard E. P.; Williams, Alan F.","The coordination chemistry of tartronic acid with copper: magnetic studies of a quasi-equilateral tricopper triangle.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","656","662","10.1039/c3dt51838h","","","1.54184","CuKα","","0.0605","0.0573","","","0.1629","0.1666","","","","","","1.058","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028238","11.391","0.002","18.201","0.004","18.612","0.004","91.61","0.03","104.33","0.03","95.61","0.03","3715.3","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H68 Br2 N4 Ni O0 -","- C86 H68 Br2 N4 Ni -","- C172 H136 Br4 N8 Ni2 -","2","1","","Yue, Erlin; Zhang, Liping; Xing, Qifeng; Cao, Xiao-Ping; Hao, Xiang; Redshaw, Carl; Sun, Wen-Hua","2-(1-(2-Benzhydrylnaphthylimino)ethyl)pyridylnickel halides: synthesis, characterization, and ethylene polymerization behavior.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","423","431","10.1039/c3dt52234b","","","0.71073","MoKα","","","0.0825","","","0.221","0.2529","","","","","","1.024","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028239","15.786","0.003","10.024","0.002","18.193","0.004","90","","98.3","0.03","90","","2848.7","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H62 Cl4 N4 Ni2 O4 -","- C64 H62 Cl4 N4 Ni2 O4 -","- C128 H124 Cl8 N8 Ni4 O8 -","2","0.5","","Yue, Erlin; Zhang, Liping; Xing, Qifeng; Cao, Xiao-Ping; Hao, Xiang; Redshaw, Carl; Sun, Wen-Hua","2-(1-(2-Benzhydrylnaphthylimino)ethyl)pyridylnickel halides: synthesis, characterization, and ethylene polymerization behavior.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","423","431","10.1039/c3dt52234b","","","0.71073","MoKα","","","0.038","","","0.0873","0.089","","","","","","1.145","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028240","11.2018","0.0006","11.2296","0.0006","11.4596","0.0006","118.377","0.006","107.308","0.005","93.323","0.004","1176.28","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H58 O10 P2 -","- C54 H58 O10 P2 -","- C54 H58 O10 P2 -","1","0.5","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg","Coulomb repulsion versus cycloaddition: formation of anionic four-membered rings from sodium phosphaethynolate, Na(OCP).","Dalton transactions (Cambridge, England : 2003)","2014","43","2","831","840","10.1039/c3dt52359d","","","0.71073","MoKα","","0.0755","0.058","","","0.1592","0.1774","","","","","","1.01","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028241","14.8198","0.0002","19.1524","0.0003","16.9799","0.0003","90","","91.224","0.001","90","","4818.39","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H55 Br4 N3 Sn2 -","- C47 H55 Br4 N3 Sn2 -","- C188 H220 Br16 N12 Sn8 -","4","1","","Jurca, Titel; Hiscock, Landon K.; Korobkov, Ilia; Rowley, Christopher N.; Richeson, Darrin S.","The tipping point of the inert pair effect: experimental and computational comparison of In(I) and Sn(II) bis(imino)pyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","690","697","10.1039/c3dt52227j","","","0.71073","MoKα","","0.0533","0.0342","","","0.0807","0.0881","","","","","","1.023","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028242","10.6251","0.0005","14.0413","0.0007","19.5349","0.001","74.108","0.002","77.877","0.003","75.277","0.002","2679.9","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.4 H57.45 Cl4 N3 O0.35 Sn2 -","- C48.4 H57.45 Cl4 N3 O0.35 Sn2 -","- C96.8 H114.9 Cl8 N6 O0.7 Sn4 -","2","1","","Jurca, Titel; Hiscock, Landon K.; Korobkov, Ilia; Rowley, Christopher N.; Richeson, Darrin S.","The tipping point of the inert pair effect: experimental and computational comparison of In(I) and Sn(II) bis(imino)pyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","690","697","10.1039/c3dt52227j","","","0.71073","MoKα","","0.1094","0.0783","","","0.1747","0.1973","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028243","18.2152","0.0005","14.1924","0.0004","22.1938","0.0006","90","","111.582","0.001","90","","5335.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H63 Cl4 N3 Sn2 -","- C54 H63 Cl4 N3 Sn2 -","- C216 H252 Cl16 N12 Sn8 -","4","1","","Jurca, Titel; Hiscock, Landon K.; Korobkov, Ilia; Rowley, Christopher N.; Richeson, Darrin S.","The tipping point of the inert pair effect: experimental and computational comparison of In(I) and Sn(II) bis(imino)pyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","690","697","10.1039/c3dt52227j","","","0.71073","MoKα","","0.0811","0.0463","","","0.0944","0.106","","","","","","1.008","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028244","13.7902","0.0003","18.1623","0.0004","16.7627","0.0003","90","","112.433","0.001","90","","3880.71","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 Cl6 N3 Sn2 -","- C36 H33 Cl6 N3 Sn2 -","- C144 H132 Cl24 N12 Sn8 -","4","1","","Jurca, Titel; Hiscock, Landon K.; Korobkov, Ilia; Rowley, Christopher N.; Richeson, Darrin S.","The tipping point of the inert pair effect: experimental and computational comparison of In(I) and Sn(II) bis(imino)pyridine complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","690","697","10.1039/c3dt52227j","","","0.71073","MoKα","","0.0344","0.0274","","","0.0686","0.0728","","","","","","1.015","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028245","6.8833","0.0008","7.8338","0.0009","8.594","0.001","70.366","0.001","86.657","0.001","86.513","0.001","435.3","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 Cl6 Mo2 O4 -","- C8 H16 Cl6 Mo2 O4 -","- C8 H16 Cl6 Mo2 O4 -","1","0.5","","Favero, Lucilla; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The interaction of molybdenum pentachloride with O- and S-heterocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","495","504","10.1039/c3dt52271g","","","0.71073","MoKα","","0.023","0.0199","","","0.0491","0.0506","","","","","","1.052","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028246","34.221","0.006","7.4263","0.0013","12.199","0.002","90","","90","","90","","3100.2","0.9","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H20 Cl4 Mo O2 -","- C10 H20 Cl4 Mo O2 -","- C80 H160 Cl32 Mo8 O16 -","8","0.5","","Favero, Lucilla; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The interaction of molybdenum pentachloride with O- and S-heterocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","495","504","10.1039/c3dt52271g","","","0.71073","MoKα","","0.0302","0.0287","","","0.0794","0.0806","","","","","","1.135","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028247","8.14","0.003","9.388","0.003","9.575","0.004","90","","97.093","0.005","90","","726.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Cl4 Mo S2 -","- C8 H16 Cl4 Mo S2 -","- C16 H32 Cl8 Mo2 S4 -","2","0.5","","Favero, Lucilla; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The interaction of molybdenum pentachloride with O- and S-heterocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","495","504","10.1039/c3dt52271g","","","0.71073","MoKα","","0.0575","0.0461","","","0.1132","0.1226","","","","","","1.049","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028248","17.9692","0.0013","10.7572","0.0009","17.2353","0.0014","90","","114.004","0.002","90","","3043.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaborolen-2-yl)- N,N,N',N'-tetramethylphosphanediamine","","- C30 H48 B N4 P -","- C30 H48 B N4 P -","- C120 H192 B4 N16 P4 -","4","1","","Kaaz, M.; Bender, J.; Förster, D; Frey, W.; Nieger, M.; Gudat, D.","Phosphines with N-heterocyclic boranyl substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","680","689","10.1039/c3dt52441h","","","0.71073","MoKα","","0.0812","0.0457","","","0.1019","0.118","","","","","","1.004","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028249","11.7029","0.0008","12.3599","0.0008","24.3641","0.0018","90","","96.785","0.003","90","","3499.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaborolen-2-yl)- 1,3-di-tert-butyl-1,3,2-diazaphospholene","","- C36 H56 B N4 P -","- C36 H56 B N4 P -","- C144 H224 B4 N16 P4 -","4","1","","Kaaz, M.; Bender, J.; Förster, D; Frey, W.; Nieger, M.; Gudat, D.","Phosphines with N-heterocyclic boranyl substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","680","689","10.1039/c3dt52441h","","","0.71073","MoKα","","0.0736","0.0528","","","0.1395","0.1498","","","","","","1.055","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028250","12.4257","0.0004","12.4802","0.0005","13.2635","0.0005","97.682","0.002","98.396","0.002","103.761","0.002","1945.8","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-(1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaborolen-2-yl)- 1,3-bis(2,6-dimethylphenyl)-1,3,2-diazaphospholene","","- C44 H56 B N4 P -","- C44 H56 B N4 P -","- C88 H112 B2 N8 P2 -","2","1","","Kaaz, M.; Bender, J.; Förster, D; Frey, W.; Nieger, M.; Gudat, D.","Phosphines with N-heterocyclic boranyl substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","680","689","10.1039/c3dt52441h","","","0.71073","MoKα","","0.0565","0.0389","","","0.0895","0.0979","","","","","","1.033","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028251","12.0947","0.0013","13.6131","0.0012","17.9876","0.0014","90","","90","","90","","2961.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-bis(2,6-diisopropylphenyl)-2-(phenylphosphanyl)-1,3,2-diazaborolene","","- C32 H42 B N2 P -","- C32 H42 B N2 P -","- C128 H168 B4 N8 P4 -","4","1","","Kaaz, M.; Bender, J.; Förster, D; Frey, W.; Nieger, M.; Gudat, D.","Phosphines with N-heterocyclic boranyl substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","680","689","10.1039/c3dt52441h","","","0.71073","MoKα","","0.077","0.0462","","","0.0815","0.091","","","","","","1.012","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028252","7.5063","0.0005","9.4119","0.0006","18.388","0.0014","77.441","0.003","86.774","0.004","78.004","0.003","1240.23","0.15","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","1,3-bis(2,6-diisopropylphenyl)-2-phosphanyl-1,3,2-diazaborolene","","- C26 H38 B N2 P -","- C26 H38 B N2 P -","- C52 H76 B2 N4 P2 -","2","1","","Kaaz, M.; Bender, J.; Förster, D; Frey, W.; Nieger, M.; Gudat, D.","Phosphines with N-heterocyclic boranyl substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","680","689","10.1039/c3dt52441h","","","0.71073","MoKα","","0.072","0.0503","","","0.1127","0.1245","","","","","","1.036","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028253","9.4467","0.0003","13.4936","0.0004","6.5606","0.0002","90","","95.045","0.002","90","","833.04","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(methoxy(thiophen-2-yl)methylidene) gold(I) chloride","(methoxy(thiophen-2-yl)methylidene) gold(I) chloride","","- C6 H6 Au Cl O S -","- C6 H6 Au Cl O S -","- C24 H24 Au4 Cl4 O4 S4 -","4","1","","Bezuidenhout, Daniela I.; van der Westhuizen, Belinda; Rosenthal, Amos J.; Wörle, Michael; Liles, David C.; Fernández, Israel","Fischer-type gold(I) carbene complexes stabilized by aurophilic interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","398","401","10.1039/c3dt52961d","","x-ray","0.71073","MoKα","","0.0365","0.0231","","","0.0611","0.0649","","","","","","1.073","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028254","11.6474","0.0006","6.516","0.0003","19.997","0.001","90","","90","","90","","1517.66","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(methoxy(furan-2-yl)methylidene) gold(I) chloride","(methoxy(furan-2-yl)methylidene) gold(I) chloride","","- C6 H6 Au Cl O2 -","- C6 H6 Au Cl O2 -","- C48 H48 Au8 Cl8 O16 -","8","1","","Bezuidenhout, Daniela I.; van der Westhuizen, Belinda; Rosenthal, Amos J.; Wörle, Michael; Liles, David C.; Fernández, Israel","Fischer-type gold(I) carbene complexes stabilized by aurophilic interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","398","401","10.1039/c3dt52961d","","x-ray","0.71073","MoKα","","0.0249","0.0169","","","0.0262","0.0278","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028255","10.054","0.003","10.469","0.003","13.322","0.004","73.798","0.005","73.987","0.005","61.977","0.005","1171.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(amino(thiophen-2-yl)methylidene) gold(I) chloride","(amino(thiophen-2-yl)methylidene) gold(I) chloride","","- C5 H5 Au Cl N S -","- C5 H5 Au Cl N S -","- C30 H30 Au6 Cl6 N6 S6 -","6","3","","Bezuidenhout, Daniela I.; van der Westhuizen, Belinda; Rosenthal, Amos J.; Wörle, Michael; Liles, David C.; Fernández, Israel","Fischer-type gold(I) carbene complexes stabilized by aurophilic interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","398","401","10.1039/c3dt52961d","","x-ray","0.71073","MoKα","","0.0414","0.0276","","","0.0533","0.0569","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028256","8.7646","0.0003","9.348","0.0003","9.5155","0.0003","82.372","0.001","68.282","0.001","85.299","0.002","717.41","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Chloro(amino-furanyl-methylidene)gold","","- C5 H5 Au Cl N O -","- C5 H5 Au Cl N O -","- C20 H20 Au4 Cl4 N4 O4 -","4","2","","Bezuidenhout, Daniela I.; van der Westhuizen, Belinda; Rosenthal, Amos J.; Wörle, Michael; Liles, David C.; Fernández, Israel","Fischer-type gold(I) carbene complexes stabilized by aurophilic interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","398","401","10.1039/c3dt52961d","","","0.71073","MoKα","","0.0279","0.0247","","","0.0626","0.0641","","","","","","1.089","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028257","18.3338","0.0003","9.7882","0.0002","13.355","0.0002","90","","90","","90","","2396.62","0.07","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","methoxy(ferrocen-1-yl)methylidene) gold(I) chloride","methoxy(ferrocen-1-yl)methylidene) gold(I) chloride","","- C12 H12 Au Cl Fe O -","- C12 H12 Au Cl Fe O -","- C96 H96 Au8 Cl8 Fe8 O8 -","8","1","","Bezuidenhout, Daniela I.; van der Westhuizen, Belinda; Rosenthal, Amos J.; Wörle, Michael; Liles, David C.; Fernández, Israel","Fischer-type gold(I) carbene complexes stabilized by aurophilic interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","398","401","10.1039/c3dt52961d","","x-ray","0.71073","MoKα","","0.052","0.0265","","","0.0384","0.0425","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028258","6.867","0.003","9.991","0.004","12.498","0.005","101.711","0.005","91.574","0.005","108.988","0.005","789.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","mu2-(ferrocen-1,1-diyl) bis((methoxy)methylidene gold(I) chloride)","mu2-(ferrocen-1,1-diyl) bis((methoxy)methylidene gold(I) chloride)","","- C14 H14 Au2 Cl2 Fe O2 -","- C14 H14 Au2 Cl2 Fe O2 -","- C28 H28 Au4 Cl4 Fe2 O4 -","2","1","","Bezuidenhout, Daniela I.; van der Westhuizen, Belinda; Rosenthal, Amos J.; Wörle, Michael; Liles, David C.; Fernández, Israel","Fischer-type gold(I) carbene complexes stabilized by aurophilic interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","398","401","10.1039/c3dt52961d","","x-ray","0.71073","MoKα","","0.0391","0.026","","","0.0542","0.0575","","","","","","1.105","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028259","12.334","0.003","15.235","0.003","19.277","0.004","90","","103.87","0.03","90","","3516.7","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H46 Bi Cl3 N2 O -","- C31 H46 Bi Cl3 N2 O -","- C124 H184 Bi4 Cl12 N8 O4 -","4","1","","Aprile, Antonino; Corbo, Robert; Vin Tan, Kel; Wilson, David J. D.; Dutton, Jason L.","The first bismuth-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","764","768","10.1039/c3dt52715h","","","0.71073","MoKα","","0.114","0.0424","","","0.069","0.0796","","","","","","0.814","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028260","9.4153","0.0019","10.538","0.002","12.433","0.003","102.25","0.03","92.74","0.03","95.89","0.03","1196.1","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H28 Bi Cl2 F3 N2 O4 S -","- C16 H28 Bi Cl2 F3 N2 O4 S -","- C32 H56 Bi2 Cl4 F6 N4 O8 S2 -","2","1","","Aprile, Antonino; Corbo, Robert; Vin Tan, Kel; Wilson, David J. D.; Dutton, Jason L.","The first bismuth-NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","764","768","10.1039/c3dt52715h","","","0.71073","MoKα","","0.0733","0.0556","","","0.1202","0.1303","","","","","","1.052","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028261","8.8148","0.0008","9.8338","0.0014","9.8496","0.0017","80.83","0.013","74.747","0.011","76.426","0.01","796.4","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H13 Cl N O2 P Se -","- C15 H13 Cl N O2 P Se -","- C30 H26 Cl2 N2 O4 P2 Se2 -","2","1","","Chaubey, Bimba; Mobin, Shaikh M.; Balakrishna, Maravanji S.","P-Cl bond-induced lactamization of 2(2'-hydroxyl)phenyloxazoline to form a cyclic phosphinite, 3-(2-chloroethyl)-2-phenyl-2H-benzo[e][1,3,2]oxaza-phosphinin-4(3H)-one: synthesis, structural studies and transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","584","591","10.1039/c3dt52223g","","","0.71073","MoKα","","0.0678","0.049","","","0.1504","0.1636","","","","","","1.038","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028262","13.9131","0.0002","12.727","0.0002","14.3212","0.0002","90","","95.001","0.001","90","","2526.23","0.06","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Cl3 N O2 P Ru -","- C25 H27 Cl3 N O2 P Ru -","- C100 H108 Cl12 N4 O8 P4 Ru4 -","4","1","","Chaubey, Bimba; Mobin, Shaikh M.; Balakrishna, Maravanji S.","P-Cl bond-induced lactamization of 2(2'-hydroxyl)phenyloxazoline to form a cyclic phosphinite, 3-(2-chloroethyl)-2-phenyl-2H-benzo[e][1,3,2]oxaza-phosphinin-4(3H)-one: synthesis, structural studies and transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","584","591","10.1039/c3dt52223g","","","0.71073","MoKα","","0.0252","0.0205","","","0.0505","0.0514","","","","","","1.033","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028263","16.905","0.0002","15.658","0.0002","17.4771","0.0002","90","","95.096","0.001","90","","4607.88","0.1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cl2 N2 O4 P Pd -","- C24 H21 Cl2 N2 O4 P Pd -","- C192 H168 Cl16 N16 O32 P8 Pd8 -","8","1","","Chaubey, Bimba; Mobin, Shaikh M.; Balakrishna, Maravanji S.","P-Cl bond-induced lactamization of 2(2'-hydroxyl)phenyloxazoline to form a cyclic phosphinite, 3-(2-chloroethyl)-2-phenyl-2H-benzo[e][1,3,2]oxaza-phosphinin-4(3H)-one: synthesis, structural studies and transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","584","591","10.1039/c3dt52223g","","","0.71073","MoKα","","0.0266","0.0221","","","0.0595","0.0604","","","","","","1.095","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028264","14.875","0.008","12.995","0.006","17.358","0.008","90","","114.29","0.001","90","","3058","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Cl4 N2 O4 P2 Pd -","- C30 H26 Cl4 N2 O4 P2 Pd -","- C120 H104 Cl16 N8 O16 P8 Pd4 -","4","0.5","","Chaubey, Bimba; Mobin, Shaikh M.; Balakrishna, Maravanji S.","P-Cl bond-induced lactamization of 2(2'-hydroxyl)phenyloxazoline to form a cyclic phosphinite, 3-(2-chloroethyl)-2-phenyl-2H-benzo[e][1,3,2]oxaza-phosphinin-4(3H)-one: synthesis, structural studies and transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","584","591","10.1039/c3dt52223g","","","0.71073","MoKα","","0.0429","0.0397","","","0.0905","0.0927","","","","","","1.032","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028265","10.903","0.005","11.447","0.005","11.741","0.005","76.85","0.005","76.038","0.005","85.057","0.005","1384","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H25 Cl2 Fe N3 O5 Pt -","- C28 H25 Cl2 Fe N3 O5 Pt -","- C56 H50 Cl4 Fe2 N6 O10 Pt2 -","2","1","","Mitra, Koushambi; Basu, Uttara; Khan, Imran; Maity, Basudev; Kondaiah, Paturu; Chakravarty, Akhil R.","Remarkable anticancer activity of ferrocenyl-terpyridine platinum(ii) complexes in visible light with low dark toxicity.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","751","763","10.1039/c3dt51922h","","","0.71073","MoKα","","0.1133","0.0466","","","0.0819","0.0992","","","","","","0.952","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028266","8.4489","0.0003","16.5732","0.0006","18.2765","0.0007","68.997","0.002","89.193","0.002","81.238","0.002","2358.99","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H23 Cl2 Fe N3 O2 Pt -","- C23 H23 Cl1.75 Fe N3 O2 Pt -","- C92 H92 Cl7 Fe4 N12 O8 Pt4 -","4","2","","Mitra, Koushambi; Basu, Uttara; Khan, Imran; Maity, Basudev; Kondaiah, Paturu; Chakravarty, Akhil R.","Remarkable anticancer activity of ferrocenyl-terpyridine platinum(ii) complexes in visible light with low dark toxicity.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","751","763","10.1039/c3dt51922h","","","0.71073","MoKα","","0.0688","0.0355","","","0.0681","0.0785","","","","","","0.986","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028267","10.406","0.0006","12.14","0.0006","16.5341","0.001","90","","94.589","0.005","90","","2082","0.2","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl4 N Sb -","- C19 H22 Cl4 N Sb -","- C76 H88 Cl16 N4 Sb4 -","4","1","","Urbanová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Synthesis and structure of N,C-chelated organoantimony(v) and organobismuth(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","505","512","10.1039/c3dt51733k","","","0.71073","MoKα","","0.0561","0.0337","","","0.0546","0.0619","","","","","","1.114","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028268","14.964","0.0009","11.294","0.0005","16.7969","0.0012","90","","111.179","0.005","90","","2647","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N Sb -","- C31 H32 N Sb -","- C124 H128 N4 Sb4 -","4","1","","Urbanová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Synthesis and structure of N,C-chelated organoantimony(v) and organobismuth(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","505","512","10.1039/c3dt51733k","","","0.71073","MoKα","","0.0491","0.0288","","","0.057","0.0727","","","","","","1.206","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028269","10.70201","0.0001","20.157","0.0005","12.898","0.0009","90","","94.132","0.004","90","","2775.1","0.2","150","","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H32 Cl2 N Sb -","- C31 H32 Cl2 N Sb -","- C124 H128 Cl8 N4 Sb4 -","4","2","","Urbanová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Synthesis and structure of N,C-chelated organoantimony(v) and organobismuth(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","505","512","10.1039/c3dt51733k","","","0.71073","MoKα","","0.0306","0.0263","","","0.055","0.058","","","","","","1.136","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028270","11.248","0.0009","14.075","0.0014","14.5001","0.0011","90","","90","","90","","2295.6","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Bi Cl N -","- C25 H27 Bi Cl N -","- C100 H108 Bi4 Cl4 N4 -","4","1","","Urbanová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Synthesis and structure of N,C-chelated organoantimony(v) and organobismuth(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","505","512","10.1039/c3dt51733k","","","0.71073","MoKα","","0.0614","0.0426","","","0.0842","0.0943","","","","","","1.177","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028271","9.3232","0.0009","12.4339","0.0012","15.655","0.0008","79.541","0.004","74.971","0.006","82.898","0.007","1718","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H36 Bi Cl6 N -","- C33 H36 Bi Cl6 N -","- C66 H72 Bi2 Cl12 N2 -","2","1","","Urbanová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Synthesis and structure of N,C-chelated organoantimony(v) and organobismuth(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","505","512","10.1039/c3dt51733k","","","0.71073","MoKα","","0.0433","0.0374","","","0.0916","0.0965","","","","","","1.068","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028272","14.9641","0.0012","11.364","0.0005","16.844","0.0007","90","","111.475","0.005","90","","2665.5","0.3","150","2","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 Bi N -","- C31 H32 Bi N -","- C124 H128 Bi4 N4 -","4","1","","Urbanová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Synthesis and structure of N,C-chelated organoantimony(v) and organobismuth(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","505","512","10.1039/c3dt51733k","","","0.71073","MoKα","","0.0679","0.043","","","0.0881","0.1028","","","","","","1.093","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028273","11.2619","0.0007","13.983","0.0008","14.3511","0.0011","90","","90","","90","","2259.9","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Cl N Sb -","- C25 H27 Cl N Sb -","- C100 H108 Cl4 N4 Sb4 -","4","1","","Urbanová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Synthesis and structure of N,C-chelated organoantimony(v) and organobismuth(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","505","512","10.1039/c3dt51733k","","","0.71073","MoKα","","0.0405","0.0279","","","0.0518","0.0585","","","","","","1.171","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028274","11.449","0.0012","11.5722","0.0013","14.0712","0.0015","80.122","0.005","86.13","0.005","89.199","0.005","1832.5","0.3","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","(η^4^-Cyclooctadiene)(<i>N</i>,<i>N'</i>-diphenylacetamidinato- κ^2^<i>N</i>,<i>N'</i>)iridium(I)","","- C22 H25 Ir N2 -","- C22 H25 Ir N2 -","- C88 H100 Ir4 N8 -","4","2","","Kelley, Matthew R.; Rohde, Jan-Uwe","Formation and reactivity of an (alkene)peroxoiridium(III) intermediate supported by an amidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","527","537","10.1039/c3dt52283k","","","0.71073","MoKα","","0.0699","0.0392","","","0.083","0.0969","","","","","","1.027","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028275","9.4588","0.0008","11.8888","0.001","18.7731","0.0018","90","","102.103","0.004","90","","2064.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Au I2 P Se2 -","- C16 H18 Au I2 P Se2 -","- C64 H72 Au4 I8 P4 Se8 -","4","1","","Lee, Yu-Chen; Lin, Yan-Ru; Liou, Bo-Yuan; Liao, Jian-Hong; Gusarova, Nina K.; Trofimov, Boris A.; van Zyl, Werner E.; Liu, C. W.","Dinuclear gold(I) dithio- and diselenophosph(in)ate complexes forming mononuclear gold(III) oxidative addition complexes and reversible chemical reductive elimination products.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","663","670","10.1039/c3dt52557k","","","0.71073","MoKα","","0.0489","0.0424","","","0.1168","0.1207","","","","","","1.15","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028276","8.827","0.002","8.851","0.003","18.15","0.005","90","","101.497","0.007","90","","1389.6","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Au I2 O2 P Se2 -","- C4 H10 Au I2 O2 P Se2 -","- C16 H40 Au4 I8 O8 P4 Se8 -","4","1","","Lee, Yu-Chen; Lin, Yan-Ru; Liou, Bo-Yuan; Liao, Jian-Hong; Gusarova, Nina K.; Trofimov, Boris A.; van Zyl, Werner E.; Liu, C. W.","Dinuclear gold(I) dithio- and diselenophosph(in)ate complexes forming mononuclear gold(III) oxidative addition complexes and reversible chemical reductive elimination products.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","663","670","10.1039/c3dt52557k","","","0.71073","MoKα","","0.1149","0.0447","","","0.1033","0.1393","","","","","","1.013","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028277","8.7465","0.0011","8.7967","0.0011","21.903","0.003","90.353","0.003","100.611","0.003","90.214","0.003","1656.4","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H14 Au I2 O2 P Se2 -","- C6 H14 Au I2 O2 P Se2 -","- C24 H56 Au4 I8 O8 P4 Se8 -","4","2","","Lee, Yu-Chen; Lin, Yan-Ru; Liou, Bo-Yuan; Liao, Jian-Hong; Gusarova, Nina K.; Trofimov, Boris A.; van Zyl, Werner E.; Liu, C. W.","Dinuclear gold(I) dithio- and diselenophosph(in)ate complexes forming mononuclear gold(III) oxidative addition complexes and reversible chemical reductive elimination products.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","663","670","10.1039/c3dt52557k","","","0.71073","MoKα","","0.0768","0.0519","","","0.1383","0.1559","","","","","","1.041","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028278","9.6496","0.0002","12.8257","0.0002","14.1389","0.0003","79.9","","85.08","","74.07","","1655.29","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Au2 P2 S4 -","- C32 H36 Au2 P2 S4 -","- C64 H72 Au4 P4 S8 -","2","1","","Lee, Yu-Chen; Lin, Yan-Ru; Liou, Bo-Yuan; Liao, Jian-Hong; Gusarova, Nina K.; Trofimov, Boris A.; van Zyl, Werner E.; Liu, C. W.","Dinuclear gold(I) dithio- and diselenophosph(in)ate complexes forming mononuclear gold(III) oxidative addition complexes and reversible chemical reductive elimination products.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","663","670","10.1039/c3dt52557k","","","0.71073","MoKα","","0.0334","0.0243","","","0.0514","0.0545","","","","","","1.033","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028279","13.013","0.003","9.3266","0.0019","18.341","0.004","90","","107.03","0.03","90","","2128.4","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Au I2 P S2 -","- C16 H18 Au I2 P S2 -","- C64 H72 Au4 I8 P4 S8 -","4","0.5","","Lee, Yu-Chen; Lin, Yan-Ru; Liou, Bo-Yuan; Liao, Jian-Hong; Gusarova, Nina K.; Trofimov, Boris A.; van Zyl, Werner E.; Liu, C. W.","Dinuclear gold(I) dithio- and diselenophosph(in)ate complexes forming mononuclear gold(III) oxidative addition complexes and reversible chemical reductive elimination products.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","663","670","10.1039/c3dt52557k","","","0.71073","MoKα","","0.0316","0.0241","","","0.053","0.0574","","","","","","1.141","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028280","19.4933","0.0018","6.1948","0.0006","20.415","0.002","90","","96.986","0.009","90","","2447","0.4","296","2","296","2","","","","","","","synthesys","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H31 N2 Ni O2 -","- C28 H31 N2 Ni O2 -","- C112 H124 N8 Ni4 O8 -","4","1","","Ghorai, Samir; Mukherjee, Chandan","Effect of ligand substituent on the reactivity of Ni(II) complexes towards oxygen.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","394","397","10.1039/c3dt52072b","","x-ray","0.71073","MoKα","","0.1117","0.0703","","","0.1306","0.156","","","","","","1.086","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028281","28.2555","0.001","13.6775","0.0004","19.3826","0.0006","90","","114.585","0.002","90","","6811.6","0.4","296","2","296","2","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H47 N2 Ni O2 -","- C36 H47 N2 Ni O2 -","- C288 H376 N16 Ni8 O16 -","8","1","","Ghorai, Samir; Mukherjee, Chandan","Effect of ligand substituent on the reactivity of Ni(II) complexes towards oxygen.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","394","397","10.1039/c3dt52072b","","x-ray","0.71073","MoKα","","0.0521","0.035","","","0.1041","0.1195","","","","","","1.052","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028282","6.4633","0.0003","18.9923","0.0009","27.187","0.0013","90","","90","","90","","3337.3","0.3","296","2","296","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H45 N2 Ni O3 -","- C36 H45 N2 Ni O3 -","- C144 H180 N8 Ni4 O12 -","4","1","","Ghorai, Samir; Mukherjee, Chandan","Effect of ligand substituent on the reactivity of Ni(II) complexes towards oxygen.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","394","397","10.1039/c3dt52072b","","x-ray","0.71073","MoKα","","0.094","0.0481","","","0.0913","0.118","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7028283","9.5342","0.0008","12.0945","0.001","12.3345","0.0011","62.28","0.004","83.074","0.005","81.49","0.005","1243.03","0.19","296","2","296","2","","","","","","","synthesis","4","P -1","-P 1","2","","","","- C28 H34 N2 O2 -","- C28 H34 N2 O2 -","- C56 H68 N4 O4 -","2","1","","Ghorai, Samir; Mukherjee, Chandan","Effect of ligand substituent on the reactivity of Ni(II) complexes towards oxygen.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","394","397","10.1039/c3dt52072b","","x-ray","0.71073","MoKα","","0.0618","0.0499","","","0.1496","0.1599","","","","","","1.02","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028284","9.6858","0.0009","11.9624","0.0011","11.165","0.0011","90","","103.899","0.002","90","","1255.8","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F4 N6 -","- C12 H8 F4 N6 -","- C48 H32 F16 N24 -","4","1","","Zhang, Zhi-Hui; Zhang, Qing-Qing; Feng, Sheng; Hu, Zhao-Jian; Chen, Sheng-Chun; Chen, Qun; He, Ming-Yang","Fluorinated metal-organic frameworks of 1,4-bis(1,2,4-triazol-1-ylmethyl)-2,3,5,6-tetrafluorobenzene: synergistic interactions of ligand isomerism and counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","646","655","10.1039/c3dt52211c","","","0.71073","MoKα","","0.0737","0.0589","","","0.1492","0.1695","","","","","","0.822","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028285","26.536","0.0011","14.456","0.0006","8.0914","0.0004","90","","106.943","0.001","90","","2969.2","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cl2 F8 Mn N12 -","- C24 H16 Cl2 F8 Mn N12 -","- C96 H64 Cl8 F32 Mn4 N48 -","4","0.5","","Zhang, Zhi-Hui; Zhang, Qing-Qing; Feng, Sheng; Hu, Zhao-Jian; Chen, Sheng-Chun; Chen, Qun; He, Ming-Yang","Fluorinated metal-organic frameworks of 1,4-bis(1,2,4-triazol-1-ylmethyl)-2,3,5,6-tetrafluorobenzene: synergistic interactions of ligand isomerism and counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","646","655","10.1039/c3dt52211c","","","0.71073","MoKα","","0.0444","0.0306","","","0.0811","0.0883","","","","","","1.053","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028286","26.278","0.006","14.401","0.003","8.0107","0.0019","90","","107.248","0.005","90","","2895.2","1.1","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cl2 Co F8 N12 -","- C24 H16 Cl2 Co F8 N12 -","- C96 H64 Cl8 Co4 F32 N48 -","4","0.5","","Zhang, Zhi-Hui; Zhang, Qing-Qing; Feng, Sheng; Hu, Zhao-Jian; Chen, Sheng-Chun; Chen, Qun; He, Ming-Yang","Fluorinated metal-organic frameworks of 1,4-bis(1,2,4-triazol-1-ylmethyl)-2,3,5,6-tetrafluorobenzene: synergistic interactions of ligand isomerism and counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","646","655","10.1039/c3dt52211c","","","0.71073","MoKα","","0.0653","0.0453","","","0.1224","0.1475","","","","","","1.021","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028287","19.385","0.012","7.57","0.005","11.54","0.007","90","","90","","90","","1693.4","1.8","296","2","296","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C25 H18 Cl4 Co F8 N12 -","- C25 H18 Cl4 Co F8 N12 -","- C50 H36 Cl8 Co2 F16 N24 -","2","0.25","","Zhang, Zhi-Hui; Zhang, Qing-Qing; Feng, Sheng; Hu, Zhao-Jian; Chen, Sheng-Chun; Chen, Qun; He, Ming-Yang","Fluorinated metal-organic frameworks of 1,4-bis(1,2,4-triazol-1-ylmethyl)-2,3,5,6-tetrafluorobenzene: synergistic interactions of ligand isomerism and counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","646","655","10.1039/c3dt52211c","","","0.71073","MoKα","","0.0911","0.0569","","","0.1498","0.1682","","","","","","1.002","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028288","19.5396","0.0016","23.505","0.002","7.5642","0.0006","90","","90","","90","","3474.1","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C25 H18 Cl4 F8 Fe N12 -","- C25 H18 Cl4 F8 Fe N12 -","- C100 H72 Cl16 F32 Fe4 N48 -","4","0.5","","Zhang, Zhi-Hui; Zhang, Qing-Qing; Feng, Sheng; Hu, Zhao-Jian; Chen, Sheng-Chun; Chen, Qun; He, Ming-Yang","Fluorinated metal-organic frameworks of 1,4-bis(1,2,4-triazol-1-ylmethyl)-2,3,5,6-tetrafluorobenzene: synergistic interactions of ligand isomerism and counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","646","655","10.1039/c3dt52211c","","","0.71073","MoKα","","0.0735","0.0507","","","0.1219","0.1331","","","","","","1.004","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028289","19.282","0.008","23.511","0.009","7.617","0.003","90","","90","","90","","3453","2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl2 Cu F8 N12 O4 -","- C24 H24 Cl2 Cu F8 N12 O4 -","- C96 H96 Cl8 Cu4 F32 N48 O16 -","4","0.5","","Zhang, Zhi-Hui; Zhang, Qing-Qing; Feng, Sheng; Hu, Zhao-Jian; Chen, Sheng-Chun; Chen, Qun; He, Ming-Yang","Fluorinated metal-organic frameworks of 1,4-bis(1,2,4-triazol-1-ylmethyl)-2,3,5,6-tetrafluorobenzene: synergistic interactions of ligand isomerism and counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","646","655","10.1039/c3dt52211c","","","0.71073","MoKα","","0.1282","0.0884","","","0.252","0.2831","","","","","","1.092","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028290","18.9047","0.0016","13.9019","0.0012","22.304","0.002","90","","102.198","0.002","90","","5729.4","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cu2 F4 N6 O8 -","- C20 H20 Cu2 F4 N6 O8 -","- C160 H160 Cu16 F32 N48 O64 -","8","1","","Zhang, Zhi-Hui; Zhang, Qing-Qing; Feng, Sheng; Hu, Zhao-Jian; Chen, Sheng-Chun; Chen, Qun; He, Ming-Yang","Fluorinated metal-organic frameworks of 1,4-bis(1,2,4-triazol-1-ylmethyl)-2,3,5,6-tetrafluorobenzene: synergistic interactions of ligand isomerism and counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","646","655","10.1039/c3dt52211c","","","0.71073","MoKα","","0.0482","0.0355","","","0.0972","0.1039","","","","","","1.025","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028291","10.4777","0.0005","10.5164","0.0005","11.2131","0.0005","87.605","0.002","88.003","0.002","83.719","0.002","1226.49","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H44 Cd N10 O13 -","- C49 H44 Cd N10 O13 -","- C49 H44 Cd N10 O13 -","1","0.5","","Li, Pengxuan; Zhou, Xiaoyan; Huang, Ruoying; Yang, Lizi; Tang, Xiaoliang; Dou, Wei; Zhao, Qianqian; Liu, Weisheng","A highly fluorescent chemosensor for Zn(2+) and the recognition research on distinguishing Zn(2+) from Cd(2+).","Dalton transactions (Cambridge, England : 2003)","2014","43","2","706","713","10.1039/c3dt52165f","","","0.71073","MoKα","","0.0363","0.0337","","","0.1107","0.1142","","","","","","1.031","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028292","7.687","0.004","20.84","0.011","16.689","0.007","90","","107.626","0.019","90","","2548","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N6 O10 Zn -","- C24 H22 N6 O10 Zn -","- C96 H88 N24 O40 Zn4 -","4","1","","Li, Pengxuan; Zhou, Xiaoyan; Huang, Ruoying; Yang, Lizi; Tang, Xiaoliang; Dou, Wei; Zhao, Qianqian; Liu, Weisheng","A highly fluorescent chemosensor for Zn(2+) and the recognition research on distinguishing Zn(2+) from Cd(2+).","Dalton transactions (Cambridge, England : 2003)","2014","43","2","706","713","10.1039/c3dt52165f","","","0.71073","MoKα","","0.0987","0.056","","","0.1261","0.1435","","","","","","1.003","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028293","11.58","0.0006","20.4163","0.0011","21.4575","0.0011","90","","102.792","0.001","90","","4947.1","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl10 N2 O4 Rh2 -","- C42 H48 Cl10 N2 O4 Rh2 -","- C168 H192 Cl40 N8 O16 Rh8 -","4","2","","Chellan, Prinessa; Land, Kirkwood M.; Shokar, Ajit; Au, Aaron; An, Seung Hwan; Taylor, Dale; Smith, Peter J.; Riedel, Tina; Dyson, Paul J.; Chibale, Kelly; Smith, Gregory S.","Synthesis and evaluation of new polynuclear organometallic Ru(II), Rh(III) and Ir(III) pyridyl ester complexes as in vitro antiparasitic and antitumor agents.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","513","526","10.1039/c3dt52090k","","","0.71073","MoKα","","0.1052","0.072","","","0.1796","0.2009","","","","","","1.023","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028294","11.572","0.002","20.505","0.004","21.518","0.004","90","","103.65","0.03","90","","4961.7","1.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H48 Cl10 Ir2 N2 O4 -","- C42 H48 Cl10 Ir2 N2 O4 -","- C168 H192 Cl40 Ir8 N8 O16 -","4","2","","Chellan, Prinessa; Land, Kirkwood M.; Shokar, Ajit; Au, Aaron; An, Seung Hwan; Taylor, Dale; Smith, Peter J.; Riedel, Tina; Dyson, Paul J.; Chibale, Kelly; Smith, Gregory S.","Synthesis and evaluation of new polynuclear organometallic Ru(II), Rh(III) and Ir(III) pyridyl ester complexes as in vitro antiparasitic and antitumor agents.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","513","526","10.1039/c3dt52090k","","","0.71073","MoKα","","0.0404","0.036","","","0.0912","0.0942","","","","","","1.04","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028295","9.628","0.0008","12.2606","0.001","13.9602","0.0012","94.621","0.004","103.208","0.004","95.953","0.004","1586.4","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H24 F6 Ir N4 P S2 -","- C34 H24 F6 Ir N4 P S2 -","- C68 H48 F12 Ir2 N8 P2 S4 -","2","1","","Bünzli, Andreas M; Bolink, Henk J.; Constable, Edwin C.; Housecroft, Catherine E.; Junquera-Hernández, José M; Neuburger, Markus; Ortí, Enrique; Pertegás, Antonio; Serrano-Pérez, Juan J; Tordera, Daniel; Zampese, Jennifer A.","Thienylpyridine-based cyclometallated iridium(III) complexes and their use in solid state light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","738","750","10.1039/c3dt52622d","","","0.71073","MoKα","","0.0196","0.0183","","","0.0473","0.0498","","","","","","1.095","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7028296","8.5217","0.0008","5.3745","0.0005","12.8745","0.001","90","","105.203","0.004","90","","569.01","0.09","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 S2 -","- C12 H12 N2 S2 -","- C24 H24 N4 S4 -","2","0.5","","Bünzli, Andreas M; Bolink, Henk J.; Constable, Edwin C.; Housecroft, Catherine E.; Junquera-Hernández, José M; Neuburger, Markus; Ortí, Enrique; Pertegás, Antonio; Serrano-Pérez, Juan J; Tordera, Daniel; Zampese, Jennifer A.","Thienylpyridine-based cyclometallated iridium(III) complexes and their use in solid state light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","738","750","10.1039/c3dt52622d","","","0.71073","MoKα","","0.0369","0.0294","","0.058","0.0401","0.0385","","","","","","1.0768","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028297","9.3688","0.0003","14.4939","0.0005","24.578","0.0009","90","","91.535","0.002","90","","3336.3","0.2","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H50 Cl2 F12 Ir2 N8 P2 S8 -","- C61 H50 Cl2 F12 Ir2 N8 P2 S8 -","- C122 H100 Cl4 F24 Ir4 N16 P4 S16 -","2","0.5","","Bünzli, Andreas M; Bolink, Henk J.; Constable, Edwin C.; Housecroft, Catherine E.; Junquera-Hernández, José M; Neuburger, Markus; Ortí, Enrique; Pertegás, Antonio; Serrano-Pérez, Juan J; Tordera, Daniel; Zampese, Jennifer A.","Thienylpyridine-based cyclometallated iridium(III) complexes and their use in solid state light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","738","750","10.1039/c3dt52622d","","","0.71073","MoKα","","0.0309","0.0262","","","0.0519","0.0541","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7028298","4.6806","0.0009","6.134","0.0012","17.932","0.004","83.84","0.03","89.03","0.03","85.65","0.03","510.37","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Ca O12 P2 -","- C16 H20 Ca O12 P2 -","- C16 H20 Ca O12 P2 -","1","0.5","","Schilling, Lars-Hendrik; Stock, Norbert","High-throughput ultrasonic synthesis and in situ crystallisation investigation of metal phosphonocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","414","422","10.1039/c3dt52576g","","","0.71073","MoKα","","0.0679","0.0375","","","0.0388","0.0411","","","","","","1.134","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028299","4.7713","0.001","6.8621","0.0014","16.598","0.003","83.42","0.03","89.71","0.03","83.5","0.03","536.37","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(μ~2~-4-(Phosphatomethyl)benzoic acid)-tetraaqua-nickel","","- C16 H24 Ni O14 P2 -","- C16 H24 Ni O14 P2 -","- C16 H24 Ni O14 P2 -","1","0.5","","Schilling, Lars-Hendrik; Stock, Norbert","High-throughput ultrasonic synthesis and in situ crystallisation investigation of metal phosphonocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","414","422","10.1039/c3dt52576g","","","0.71073","MoKα","","0.0384","0.032","","","0.0427","0.0429","","","","","","2.762","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028300","20.0544","0.0003","15.419","0.0003","7.2025","0.0001","90","","90","","90","","2227.15","0.06","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","Mn complexes","","","- C23 H32 Cl Mn N2 O2 -","- C23 H30 Cl Mn N2 O2 -","- C92 H120 Cl4 Mn4 N8 O8 -","4","0.5","","Sankaralingam, Muniyandi; Palaniandavar, Mallayan","Tuning the olefin epoxidation by manganese(III) complexes of bisphenolate ligands: effect of Lewis basicity of ligands on reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","538","550","10.1039/c3dt51766g","","","0.71073","MoKα","","0.0456","0.0349","","","0.0808","0.0863","","","","","","1.033","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028301","11.8411","0.0002","12.6077","0.0002","13.0061","0.0002","90","","113.989","0.001","90","","1773.95","0.05","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Mn COmplexes","","","- C19 H22 Cl Mn N2 O2 -","- C19 H22 Cl Mn N2 O2 -","- C76 H88 Cl4 Mn4 N8 O8 -","4","1","","Sankaralingam, Muniyandi; Palaniandavar, Mallayan","Tuning the olefin epoxidation by manganese(III) complexes of bisphenolate ligands: effect of Lewis basicity of ligands on reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","538","550","10.1039/c3dt51766g","","","0.71073","MoKα","","0.0322","0.0266","","","0.0675","0.0721","","","","","","1.093","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028302","26.284","0.0003","9.477","0.0002","32.319","0.0004","90","","110.277","0.001","90","","7551.6","0.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C41.5 H42 N2 Si2 Zn2 -","- C41.5 H42 N2 Si2 Zn2 -","- C332 H336 N16 Si16 Zn16 -","8","2","","Cosham, Samuel D.; Hill, Michael S.; Johnson, Andrew L.; Molloy, Kieran C.","New organo- and amidozinc derivatives of primary amines.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","859","864","10.1039/c3dt52602j","","","0.71073","MoKα","","0.0731","0.0489","","","0.1097","0.1294","","","","","","1.014","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028303","7.834","0.0001","10.049","0.0002","15.998","0.0003","90","","91.486","0.001","90","","1259","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H44 N8 Si2 Zn2 -","- C14 H44 N8 Si2 Zn2 -","- C28 H88 N16 Si4 Zn4 -","2","0.5","","Cosham, Samuel D.; Hill, Michael S.; Johnson, Andrew L.; Molloy, Kieran C.","New organo- and amidozinc derivatives of primary amines.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","859","864","10.1039/c3dt52602j","","","0.71073","MoKα","","0.0375","0.0258","","","0.0666","0.0732","","","","","","1.055","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028304","11.431","0.0004","11.943","0.0005","12.946","0.0005","87.265","0.002","71.794","0.002","73.697","0.002","1609.86","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H84 N4 Si6 Zn2 -","- C62 H84 N4 Si6 Zn2 -","- C62 H84 N4 Si6 Zn2 -","1","0.5","","Cosham, Samuel D.; Hill, Michael S.; Johnson, Andrew L.; Molloy, Kieran C.","New organo- and amidozinc derivatives of primary amines.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","859","864","10.1039/c3dt52602j","","","0.71073","MoKα","","0.0498","0.0346","","","0.0783","0.0849","","","","","","1.048","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028305","9.052","0.0001","21.748","0.0003","10.916","0.0002","90","","101.076","0.001","90","","2108.93","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H74 N10 Si6 Zn2 -","- C24 H74 N10 Si6 Zn2 -","- C48 H148 N20 Si12 Zn4 -","2","0.5","","Cosham, Samuel D.; Hill, Michael S.; Johnson, Andrew L.; Molloy, Kieran C.","New organo- and amidozinc derivatives of primary amines.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","859","864","10.1039/c3dt52602j","","","0.71073","MoKα","","0.039","0.0302","","","0.0719","0.0758","","","","","","1.063","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028306","7.973","0.0002","18.174","0.0004","9.313","0.0002","90","","98.853","0.001","90","","1333.39","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H48 N8 Si2 Zn2 -","- C16 H48 N8 Si2 Zn2 -","- C32 H96 N16 Si4 Zn4 -","2","0.5","","Cosham, Samuel D.; Hill, Michael S.; Johnson, Andrew L.; Molloy, Kieran C.","New organo- and amidozinc derivatives of primary amines.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","859","864","10.1039/c3dt52602j","","","0.71073","MoKα","","0.0393","0.0273","","","0.0613","0.0668","","","","","","1.093","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028307","23.858","0.0004","18.221","0.0004","15.545","0.0003","90","","100.76","0.001","90","","6638.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H110 N18 Si8 Zn4 -","- C36 H110 N18 Si8 Zn4 -","- C144 H440 N72 Si32 Zn16 -","4","0.5","","Cosham, Samuel D.; Hill, Michael S.; Johnson, Andrew L.; Molloy, Kieran C.","New organo- and amidozinc derivatives of primary amines.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","859","864","10.1039/c3dt52602j","","","0.71073","MoKα","","0.0603","0.0346","","","0.0758","0.0848","","","","","","1.04","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028308","9.834","0.0003","17.6823","0.0006","10.1316","0.0004","90","","98.332","0.001","90","","1743.17","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H43 N7 Ni2 O4 S3 -","- C25 H43 N7 Ni2 O4 S3 -","- C50 H86 N14 Ni4 O8 S6 -","2","1","","Ghosh, Totan; Adhikary, Jaydeep; Chakraborty, Prateeti; Sukul, Pradip K.; Jana, Mahendra Sekhar; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis","A radical pathway in catecholase activity with nickel(II) complexes of phenol based ""end-off"" compartmental ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","841","852","10.1039/c3dt51419f","","","0.71073","MoKα","","0.0611","0.0372","","","0.071","0.0778","","","","","","0.902","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028309","14.3491","0.0005","15.1151","0.0005","17.3889","0.0006","90","","110.966","0.001","90","","3521.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 N7 Ni2 O3 S3 -","- C31 H37 N7 Ni2 O3 S3 -","- C124 H148 N28 Ni8 O12 S12 -","4","1","","Ghosh, Totan; Adhikary, Jaydeep; Chakraborty, Prateeti; Sukul, Pradip K.; Jana, Mahendra Sekhar; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis","A radical pathway in catecholase activity with nickel(II) complexes of phenol based ""end-off"" compartmental ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","841","852","10.1039/c3dt51419f","","","0.71073","MoKα","","0.078","0.0564","","","0.1614","0.1784","","","","","","1.026","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028310","24.8159","0.0006","11.8267","0.0003","22.4601","0.0006","90","","90.965","0.002","90","","6590.9","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H41 N6 Ni2 O5.5 S2 -","- C24 H40 N6 Ni2 O5.5 S2 -","- C192 H320 N48 Ni16 O44 S16 -","8","1","","Ghosh, Totan; Adhikary, Jaydeep; Chakraborty, Prateeti; Sukul, Pradip K.; Jana, Mahendra Sekhar; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis","A radical pathway in catecholase activity with nickel(II) complexes of phenol based ""end-off"" compartmental ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","841","852","10.1039/c3dt51419f","","","0.71073","MoKα","","0.1079","0.0588","","","0.1519","0.1833","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028311","12.9741","0.001","15.3525","0.0012","17.3173","0.0014","90","","108.652","0.003","90","","3268.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 N5 Ni2 O5 S -","- C31 H35 N5 Ni2 O5 S -","- C124 H140 N20 Ni8 O20 S4 -","4","1","","Ghosh, Totan; Adhikary, Jaydeep; Chakraborty, Prateeti; Sukul, Pradip K.; Jana, Mahendra Sekhar; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis","A radical pathway in catecholase activity with nickel(II) complexes of phenol based ""end-off"" compartmental ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","841","852","10.1039/c3dt51419f","","","0.71073","MoKα","","0.0699","0.0502","","","0.1311","0.1512","","","","","","1.081","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028312","11.2211","0.0007","11.8749","0.0007","23.0429","0.0015","90","","98.082","0.002","90","","3040","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H41 N13 Ni2 O4 -","- C21 H41 N13 Ni2 O4 -","- C84 H164 N52 Ni8 O16 -","4","1","","Ghosh, Totan; Adhikary, Jaydeep; Chakraborty, Prateeti; Sukul, Pradip K.; Jana, Mahendra Sekhar; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis","A radical pathway in catecholase activity with nickel(II) complexes of phenol based ""end-off"" compartmental ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","841","852","10.1039/c3dt51419f","","","0.71073","MoKα","","0.0603","0.0412","","","0.1034","0.1112","","","","","","1.004","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028313","13.907","0.002","17.381","0.003","13.59","0.004","90","","111.907","0.002","90","","3047.7","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H33 N13 Ni2 O3 -","- C26 H33 N13 Ni2 O3 -","- C104 H132 N52 Ni8 O12 -","4","1","","Ghosh, Totan; Adhikary, Jaydeep; Chakraborty, Prateeti; Sukul, Pradip K.; Jana, Mahendra Sekhar; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis","A radical pathway in catecholase activity with nickel(II) complexes of phenol based ""end-off"" compartmental ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","841","852","10.1039/c3dt51419f","","","0.71073","MoKα","","0.0319","0.0295","","","0.0682","0.0692","","","","","","1.018","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028314","9.4253","0.0005","12.6299","0.0007","13.0653","0.0007","100.035","0.002","96.381","0.002","111.476","0.002","1398.96","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H33 N7 Ni2 O5 -","- C23 H33 N7 Ni2 O5 -","- C46 H66 N14 Ni4 O10 -","2","1","","Ghosh, Totan; Adhikary, Jaydeep; Chakraborty, Prateeti; Sukul, Pradip K.; Jana, Mahendra Sekhar; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis","A radical pathway in catecholase activity with nickel(II) complexes of phenol based ""end-off"" compartmental ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","841","852","10.1039/c3dt51419f","","","0.71073","MoKα","","0.0595","0.0451","","","0.1205","0.1331","","","","","","1.048","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028315","9.242","0.005","12.795","0.006","13.63","0.007","81.581","0.006","75.409","0.006","86.404","0.006","1542.4","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 N7 Ni2 O5 -","- C26 H39 N7 Ni2 O5 -","- C52 H78 N14 Ni4 O10 -","2","1","","Ghosh, Totan; Adhikary, Jaydeep; Chakraborty, Prateeti; Sukul, Pradip K.; Jana, Mahendra Sekhar; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis","A radical pathway in catecholase activity with nickel(II) complexes of phenol based ""end-off"" compartmental ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","841","852","10.1039/c3dt51419f","","","0.71073","MoKα","","0.1401","0.122","","","0.3396","0.3527","","","","","","1.084","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028316","8.466","0.005","10.357","0.006","15.391","0.008","92.394","0.007","105.807","0.007","112.067","0.007","1187.5","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 N6 O12 V4 Zn2 -","- C16 H14 N6 O12 V4 Zn2 -","- C32 H28 N12 O24 V8 Zn4 -","2","1","","Hou, Wentao; Guo, Jiuyu; Xu, Xiao; Wang, Zuoxiang; Zhang, Deng; Wan, Hongxiang; Song, You; Zhu, Dunru; Xu, Yan","Syntheses, structures and properties of two 2-D layered hybrid organic-inorganic materials based on different V4O12 building units.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","865","871","10.1039/c3dt52195h","","","0.71073","MoKα","","0.1019","0.0328","","","0.0505","0.0553","","","","","","1.006","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028317","13.2988","0.0012","11.2133","0.001","15.1344","0.0014","90","","98.358","0.001","90","","2232.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Cu2 N16 O15 V4 -","- C30 H36 Cu2 N16 O15 V4 -","- C60 H72 Cu4 N32 O30 V8 -","2","0.5","","Hou, Wentao; Guo, Jiuyu; Xu, Xiao; Wang, Zuoxiang; Zhang, Deng; Wan, Hongxiang; Song, You; Zhu, Dunru; Xu, Yan","Syntheses, structures and properties of two 2-D layered hybrid organic-inorganic materials based on different V4O12 building units.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","865","871","10.1039/c3dt52195h","","","0.71073","MoKα","","0.0437","0.0361","","","0.1087","0.113","","","","","","1.09","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028318","30.9472","0.0019","30.9472","0.0019","12.6009","0.0008","90","","90","","90","","12068.2","1.3","100","","100","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C104 H140 Cu4 Na4 O32 Si12 -","- C104 H140 Cu4 Na4 O32 Si12 -","- C416 H560 Cu16 Na16 O128 Si48 -","4","","","Dronova, Marina S.; Bilyachenko, Alexey N.; Yalymov, Alexey I.; Kozlov, Yuriy N.; Shul'pina, Lidia S.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Levitsky, Mikhail M.; Shubina, Elena S.; Shul'pin, Georgiy B.","Solvent-controlled synthesis of tetranuclear cage-like copper(II) silsesquioxanes. Remarkable features of the cage structures and their high catalytic activity in oxidation with peroxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","872","882","10.1039/c3dt52508b","","","0.71073","MoKα","","0.2194","0.0859","","","0.1704","0.244","","","","","","1.012","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028319","19.765","0.002","20.851","0.002","28.856","0.003","90","","90","","90","","11892","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H54 Cu2 Na2 O18 Si6 -","- C48 H54 Cu2 Na2 O18 Si6 -","- C384 H432 Cu16 Na16 O144 Si48 -","8","1","","Dronova, Marina S.; Bilyachenko, Alexey N.; Yalymov, Alexey I.; Kozlov, Yuriy N.; Shul'pina, Lidia S.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Levitsky, Mikhail M.; Shubina, Elena S.; Shul'pin, Georgiy B.","Solvent-controlled synthesis of tetranuclear cage-like copper(II) silsesquioxanes. Remarkable features of the cage structures and their high catalytic activity in oxidation with peroxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","872","882","10.1039/c3dt52508b","","","0.71073","MoKα","","0.1181","0.0684","","","0.1573","0.17","","","","","","1.003","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028320","8.289","0.004","9.297","0.004","16.608","0.008","78.487","0.007","75.633","0.007","89.994","0.007","1213.2","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","tetra-acetato-coprate(II)","","- C20 H32 Cu N4 O8 -","- C20 H32 Cu N4 O8 -","- C40 H64 Cu2 N8 O16 -","2","1","","Shtyrlin, Valery G.; Serov, Nikita Yu; Islamov, Daut R.; Konkin, Alexander L.; Bukharov, Mikhail S.; Gnezdilov, Oleg I.; Krivolapov, Dmitry B.; Kataeva, Ol'ga N.; Nazmutdinova, Gulnara A.; Wendler, Frank","The C-H bond activation in 1-ethyl-3-methylimidazolium acetate-copper(II) acetate-water-air (dioxygen) systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","799","805","10.1039/c3dt51946e","","x-ray","0.71073","MoKα","","0.1758","0.0931","","","0.2033","0.2396","","","","","","1.074","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028321","8.55","0.0006","8.3061","0.0006","17.5899","0.0012","90","","93.8","0.002","90","","1246.44","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetra-mu-acetato-bis-1-ethyl-3-methyl-1H-imidazol-2(3H)-one-dicopper(II)","","- C20 H32 Cu2 N4 O10 -","- C20 H32 Cu2 N4 O10 -","- C40 H64 Cu4 N8 O20 -","2","0.5","","Shtyrlin, Valery G.; Serov, Nikita Yu; Islamov, Daut R.; Konkin, Alexander L.; Bukharov, Mikhail S.; Gnezdilov, Oleg I.; Krivolapov, Dmitry B.; Kataeva, Ol'ga N.; Nazmutdinova, Gulnara A.; Wendler, Frank","The C-H bond activation in 1-ethyl-3-methylimidazolium acetate-copper(II) acetate-water-air (dioxygen) systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","799","805","10.1039/c3dt51946e","","x-ray","0.71073","MoKα","","0.0347","0.0298","","","0.1008","0.1066","","","","","","0.856","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028322","10.4965","0.0009","8.8178","0.0005","14.8505","0.0015","90","","110.161","0.01","90","","1290.3","0.2","446","2","446.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H27 Gd K3 N2 O18 P -","- C10 H27 Gd K3 N2 O18 P -","- C20 H54 Gd2 K6 N4 O36 P2 -","2","1","","Gao, Song; Chen, Mao-Long; Zhou, Zhao-Hui","Substitution of gadolinium ethylenediaminetetraacetate with phosphites: towards gadolinium deposit in nephrogenic systemic fibrosis.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","639","645","10.1039/c3dt52015c","","","0.71073","MoKα","","0.049","0.0418","","","0.0768","0.0813","","","","","","0.949","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028323","9.3301","0.0005","21.3075","0.0013","14.0657","0.001","90","","106.248","0.006","90","","2684.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Gd N4 Na O19 -","- C16 H34 Gd N4 Na O19 -","- C64 H136 Gd4 N16 Na4 O76 -","4","1","","Gao, Song; Chen, Mao-Long; Zhou, Zhao-Hui","Substitution of gadolinium ethylenediaminetetraacetate with phosphites: towards gadolinium deposit in nephrogenic systemic fibrosis.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","639","645","10.1039/c3dt52015c","","","0.71073","MoKα","","0.0954","0.0594","","","0.0961","0.1111","","","","","","1.007","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028324","10.4283","0.0009","16.335","0.0012","17.3916","0.0012","94.063","0.006","103.853","0.007","93.889","0.006","2858.2","0.4","173","2","446","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H33 Cl2.5 Gd2 N4 Na8.5 O43 P2 -","- C20 H33 Cl2.5 Gd2 N4 Na8.5 O43 P2 -","- C40 H66 Cl5 Gd4 N8 Na17 O86 P4 -","2","1","","Gao, Song; Chen, Mao-Long; Zhou, Zhao-Hui","Substitution of gadolinium ethylenediaminetetraacetate with phosphites: towards gadolinium deposit in nephrogenic systemic fibrosis.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","639","645","10.1039/c3dt52015c","","","0.71073","MOKα","","0.079","0.0518","","","0.1011","0.1142","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028325","10.8643","0.0012","29.946","0.003","11.1359","0.0013","90","","107.334","0.002","90","","3458.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H47 Ir2 N P2 -","- C40 H47 Ir2 N P2 -","- C160 H188 Ir8 N4 P8 -","4","1","","Mena, Inmaculada; Casado, Miguel A.; Polo, Víctor; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.","P-H activation of secondary phosphanes on a parent amido diiridium complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1609","1619","10.1039/c3dt52911h","","","0.71073","MoKα","","0.0414","0.0282","","","0.0569","0.0606","","","","","","1.035","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028326","21.7209","0.001","10.3274","0.0005","33.4874","0.0016","90","","90","","90","","7511.9","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H47 D6 Ir2 N P2 -","- C40 H46.1 Ir2 N P2 -","- C320 H368.8 Ir16 N8 P16 -","8","1","","Mena, Inmaculada; Casado, Miguel A.; Polo, Víctor; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.","P-H activation of secondary phosphanes on a parent amido diiridium complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1609","1619","10.1039/c3dt52911h","","","0.71073","MoKα","","0.0488","0.0419","","","0.0847","0.0871","","","","","","1.214","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028327","12.0438","0.0006","13.3654","0.0006","17.5773","0.0008","90","","95.2757","0.0006","90","","2817.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H52 Ir2 P2 -","- C28 H52 Ir2 P2 -","- C112 H208 Ir8 P8 -","4","1","","Mena, Inmaculada; Casado, Miguel A.; Polo, Víctor; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.","P-H activation of secondary phosphanes on a parent amido diiridium complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1609","1619","10.1039/c3dt52911h","","","0.71073","MoKα","","0.0264","0.0173","","","0.0369","0.04","","","","","","1.032","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028328","21.5507","0.0005","21.5507","0.0005","22.5192","0.0014","90","","90","","90","","10458.7","0.7","153","2","153","2","","","","","","","","5","I 4","I 4","79","","","","- C224 H112 N16 O16 Y -","- C224 H112 N16 O16 Y -","- C448 H224 N32 O32 Y2 -","2","0.25","","Zhou, Hang; Wang, Kang; Qi, Dongdong; Jiang, Jianzhuang","Chiral bis(phthalocyaninato) yttrium double-decker complexes. Synthesis, structure, spectroscopy, and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1699","1705","10.1039/c3dt52611a","","","1.54178","CuKα","","0.0684","0.0644","","","0.157","0.1609","","","","","","1.058","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028329","21.6634","0.0005","21.6634","0.0005","22.6033","0.0014","90","","90","","90","","10607.8","0.7","153","2","153","2","","","","","","","","5","I 4","I 4","79","","","","- C224 H112 N16 O16 Y -","- C224 H112 N16 O16 Y -","- C448 H224 N32 O32 Y2 -","2","0.25","","Zhou, Hang; Wang, Kang; Qi, Dongdong; Jiang, Jianzhuang","Chiral bis(phthalocyaninato) yttrium double-decker complexes. Synthesis, structure, spectroscopy, and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1699","1705","10.1039/c3dt52611a","","","1.54178","CuKα","","0.0756","0.0609","","","0.1507","0.1601","","","","","","0.994","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028330","16.509","0.003","7.2429","0.0012","14.85","0.003","90","","115.662","0.002","90","","1600.5","0.5","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl4 Np O4 -","- C8 H20 Cl4 Np O4 -","- C32 H80 Cl16 Np4 O16 -","4","1","","Reilly, Sean D.; Brown, Jessie L.; Scott, Brian L.; Gaunt, Andrew J.","Synthesis and characterization of NpCl4(DME)2 and PuCl4(DME)2 neutral transuranic An(IV) starting materials.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1498","1501","10.1039/c3dt53058b","","","0.71073","MoKα","","0.032","0.0219","","","0.0408","0.0433","","","","","","1.018","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028331","16.506","0.0014","7.242","0.0006","14.7911","0.0012","90","","115.557","0.001","90","","1595.1","0.2","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl4 O4 Pu -","- C8 H20 Cl4 O4 Pu -","- C32 H80 Cl16 O16 Pu4 -","4","1","","Reilly, Sean D.; Brown, Jessie L.; Scott, Brian L.; Gaunt, Andrew J.","Synthesis and characterization of NpCl4(DME)2 and PuCl4(DME)2 neutral transuranic An(IV) starting materials.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1498","1501","10.1039/c3dt53058b","","","0.71073","MoKα","","0.0191","0.0174","","","0.0402","0.0405","","","","","","1.698","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028332","7.5216","0.0017","26.293","0.006","9.411","0.002","90","","111.488","0.004","90","","1731.8","0.7","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H23 N4 O11 V -","- C8 H23 N4 O11 V -","- C32 H92 N16 O44 V4 -","4","1","","Yu, Xian-Yong; Deng, Lin; Zheng, Baishu; Zeng, Bi-Rong; Yi, Pinggui; Xu, Xin","A spectroscopic study on the coordination and solution structures of the interaction systems between biperoxidovanadate complexes and the pyrazolylpyridine-like ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1524","1533","10.1039/c3dt51986d","","","0.71073","MoKα","","0.0735","0.0727","","","0.1357","0.1362","","","","","","1.003","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028333","9.1576","0.0011","16.064","0.002","11.8218","0.0015","90","","90.743","0.003","90","","1738.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 Mn3 N4 O26 -","- C20 H46 Mn3 N4 O26 -","- C40 H92 Mn6 N8 O52 -","2","0.5","","Gan, C. R. Raymond; Liu, Zhaolin; Bai, Shi-Qiang; Ong, Kian Soo; Hor, T. S. Andy","Carboxylate-rich hybrid ligands in Mn(II) complexes as precursors for water oxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1821","1828","10.1039/c3dt51666k","","","0.71073","MoKα","","0.0304","0.0288","","","0.0712","0.0721","","","","","","1.11","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028334","13.1405","0.0017","9.3253","0.0013","11.0933","0.0015","90","","101.347","0.004","90","","1332.8","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Mn N2 Na O8 -","- C11 H11 Mn N2 Na O8 -","- C44 H44 Mn4 N8 Na4 O32 -","4","1","","Gan, C. R. Raymond; Liu, Zhaolin; Bai, Shi-Qiang; Ong, Kian Soo; Hor, T. S. Andy","Carboxylate-rich hybrid ligands in Mn(II) complexes as precursors for water oxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1821","1828","10.1039/c3dt51666k","","","0.71073","MoKα","","0.0831","0.0621","","","0.1246","0.1321","","","","","","1.122","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028335","30.224","0.003","9.6362","0.0009","19.8867","0.0018","90","","99.506","0.002","90","","5712.4","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Mn2 N3 Na3 O20 -","- C18 H26 Mn2 N3 Na3 O20 -","- C144 H208 Mn16 N24 Na24 O160 -","8","1","","Gan, C. R. Raymond; Liu, Zhaolin; Bai, Shi-Qiang; Ong, Kian Soo; Hor, T. S. Andy","Carboxylate-rich hybrid ligands in Mn(II) complexes as precursors for water oxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1821","1828","10.1039/c3dt51666k","","","0.71073","MoKα","","0.0654","0.0444","","","0.1128","0.1229","","","","","","1.042","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028336","6.0017","0.0007","10.443","0.0012","13.5101","0.0015","90","","90","","90","","846.76","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Mn O8 -","- C6 H8 Mn O8 -","- C24 H32 Mn4 O32 -","4","1","","Gan, C. R. Raymond; Liu, Zhaolin; Bai, Shi-Qiang; Ong, Kian Soo; Hor, T. S. Andy","Carboxylate-rich hybrid ligands in Mn(II) complexes as precursors for water oxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1821","1828","10.1039/c3dt51666k","","","0.71073","MoKα","","0.0241","0.0232","","","0.0571","0.0575","","","","","","1.057","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028337","10.257","0.0018","13.83","0.003","13.985","0.003","68.153","0.007","71.191","0.007","80.492","0.009","1740.7","0.6","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H46 N6 O4 -","- C40 H46 N6 O4 -","- C80 H92 N12 O8 -","2","1","","Mikata, Yuji; Nodomi, Yuki; Kizu, Asako; Konno, Hideo","Quinoline-attached triazacyclononane (TACN) derivatives as fluorescent zinc sensors.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1684","1690","10.1039/c3dt52107a","","","0.7107","MoKα","","","0.0744","","","","0.2269","","","","","","1.055","","","","has coordinates","198676","2020-10-21","18:00:00",""
"7028338","9.7431","0.0004","37.9514","0.0011","11.4609","0.0004","90","","112.976","0.0017","90","","3901.6","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 Cl2 N6 O11 Zn -","- C39 H42 Cl2 N6 O11 Zn -","- C156 H168 Cl8 N24 O44 Zn4 -","4","1","","Mikata, Yuji; Nodomi, Yuki; Kizu, Asako; Konno, Hideo","Quinoline-attached triazacyclononane (TACN) derivatives as fluorescent zinc sensors.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1684","1690","10.1039/c3dt52107a","","","0.7107","MoKα","","","0.0391","","","","0.0953","","","","","","1.069","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028339","21.944","0.006","9.938","0.003","18.534","0.005","90","","107.02","0.003","90","","3864.9","1.9","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 Cd Cl2 N6 O11 -","- C39 H42 Cd Cl2 N6 O11 -","- C156 H168 Cd4 Cl8 N24 O44 -","4","1","","Mikata, Yuji; Nodomi, Yuki; Kizu, Asako; Konno, Hideo","Quinoline-attached triazacyclononane (TACN) derivatives as fluorescent zinc sensors.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1684","1690","10.1039/c3dt52107a","","","0.7107","MoKα","","","0.0563","","","","0.1595","","","","","","1.168","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028340","17.721","0.003","19.269","0.003","21.462","0.003","90","","90","","90","","7329","2","123","","123","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H40 Cl2 N6 O9 Zn -","- C37 H36 Cl2 N6 O9 Zn -","- C296 H288 Cl16 N48 O72 Zn8 -","8","1","","Mikata, Yuji; Nodomi, Yuki; Kizu, Asako; Konno, Hideo","Quinoline-attached triazacyclononane (TACN) derivatives as fluorescent zinc sensors.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1684","1690","10.1039/c3dt52107a","","","0.7107","MoKα","","","0.0596","","","","0.141","","","","","","1.169","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028341","11.3698","0.0016","16.276","0.003","22.279","0.003","69.744","0.003","75.434","0.005","88.391","0.005","3735.6","1","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H38 Cd Cl2 N6 O8.5 -","- C36.5 H36 Cd Cl2 N6 O8.5 -","- C146 H144 Cd4 Cl8 N24 O34 -","4","2","","Mikata, Yuji; Nodomi, Yuki; Kizu, Asako; Konno, Hideo","Quinoline-attached triazacyclononane (TACN) derivatives as fluorescent zinc sensors.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1684","1690","10.1039/c3dt52107a","","","0.7107","MoKα","","","0.0517","","","","0.1517","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028342","11.0062","0.0017","11.1912","0.0017","20.6","0.004","78.273","0.005","79.581","0.005","74.864","0.005","2376.2","0.7","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H52 Cd Cl2 N6 O14 -","- C48 H47 Cd Cl2 N6 O14 -","- C96 H94 Cd2 Cl4 N12 O28 -","2","1","","Mikata, Yuji; Nodomi, Yuki; Kizu, Asako; Konno, Hideo","Quinoline-attached triazacyclononane (TACN) derivatives as fluorescent zinc sensors.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1684","1690","10.1039/c3dt52107a","","","0.7107","MoKα","","","0.0408","","","","0.1137","","","","","","1.063","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028343","23.4546","0.0007","14.1658","0.0006","9.896","0.0004","90","","95.692","0.003","90","","3271.8","0.2","124","2","124","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 O17 Pr S2 -","- C30 H23 O17 Pr S2 -","- C120 H92 O68 Pr4 S8 -","4","1","","Hou, Yin-Ling; Cheng, Rui-Rui; Xiong, Gang; Cui, Jian-Zhong; Zhao, Bin","Structures, luminescent and magnetic properties of a series of (3,6)-connected lanthanide-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1814","1820","10.1039/c3dt52305e","","","0.71073","MoKα","","0.071","0.0496","","","0.1046","0.1169","","","","","","1.055","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028344","23.428","0.002","14.0753","0.0013","9.8845","0.0008","90","","94.907","0.008","90","","3247.5","0.5","124","2","124","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Eu O17 S2 -","- C30 H23 Eu O17 S2 -","- C120 H92 Eu4 O68 S8 -","4","1","","Hou, Yin-Ling; Cheng, Rui-Rui; Xiong, Gang; Cui, Jian-Zhong; Zhao, Bin","Structures, luminescent and magnetic properties of a series of (3,6)-connected lanthanide-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1814","1820","10.1039/c3dt52305e","","","0.71073","MoKα","","0.1042","0.0595","","","0.1142","0.1342","","","","","","1.061","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028345","23.4006","0.0007","14.1988","0.0005","9.9356","0.0004","90","","94.468","0.003","90","","3291.2","0.2","124","2","124","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Gd O17 S2 -","- C30 H23 Gd O17 S2 -","- C120 H92 Gd4 O68 S8 -","4","1","","Hou, Yin-Ling; Cheng, Rui-Rui; Xiong, Gang; Cui, Jian-Zhong; Zhao, Bin","Structures, luminescent and magnetic properties of a series of (3,6)-connected lanthanide-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1814","1820","10.1039/c3dt52305e","","","0.71073","MoKα","","0.0586","0.0431","","","0.0963","0.1061","","","","","","1.056","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028346","23.3952","0.0015","14.0348","0.0011","9.847","0.0006","90","","94.93","0.006","90","","3221.3","0.4","124","2","124","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 O17 S2 Tb -","- C30 H23 O17 S2 Tb -","- C120 H92 O68 S8 Tb4 -","4","1","","Hou, Yin-Ling; Cheng, Rui-Rui; Xiong, Gang; Cui, Jian-Zhong; Zhao, Bin","Structures, luminescent and magnetic properties of a series of (3,6)-connected lanthanide-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1814","1820","10.1039/c3dt52305e","","","0.71073","MoKα","","0.066","0.0466","","","0.1038","0.1157","","","","","","1.036","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028347","23.3391","0.0005","14.0385","0.0004","9.8581","0.0003","90","","94.703","0.002","90","","3219.09","0.15","124","2","124","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Dy O17 S2 -","- C30 H23 Dy O17 S2 -","- C120 H92 Dy4 O68 S8 -","4","1","","Hou, Yin-Ling; Cheng, Rui-Rui; Xiong, Gang; Cui, Jian-Zhong; Zhao, Bin","Structures, luminescent and magnetic properties of a series of (3,6)-connected lanthanide-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1814","1820","10.1039/c3dt52305e","","","0.71073","MoKα","","0.0698","0.0485","","","0.1043","0.1174","","","","","","1.033","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028348","23.327","0.002","14.0248","0.0011","9.8469","0.0006","90","","94.653","0.007","90","","3210.9","0.4","124","2","124","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Ho O17 S2 -","- C30 H23 Ho O17 S2 -","- C120 H92 Ho4 O68 S8 -","4","1","","Hou, Yin-Ling; Cheng, Rui-Rui; Xiong, Gang; Cui, Jian-Zhong; Zhao, Bin","Structures, luminescent and magnetic properties of a series of (3,6)-connected lanthanide-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1814","1820","10.1039/c3dt52305e","","","0.71073","MoKα","","0.1452","0.0745","","","0.1098","0.142","","","","","","1.017","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028349","23.318","0.002","14.0046","0.0015","9.8371","0.001","90","","94.552","0.009","90","","3202.3","0.5","124","2","124","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Er O17 S2 -","- C30 H23 Er O17 S2 -","- C120 H92 Er4 O68 S8 -","4","1","","Hou, Yin-Ling; Cheng, Rui-Rui; Xiong, Gang; Cui, Jian-Zhong; Zhao, Bin","Structures, luminescent and magnetic properties of a series of (3,6)-connected lanthanide-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1814","1820","10.1039/c3dt52305e","","","0.71073","MoKα","","0.1459","0.0691","","","0.1021","0.1391","","","","","","1.045","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028350","14.476","0.006","14.476","0.006","28.023","0.009","90","","90","","90","","5872","4","113","2","113","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H68.5 N20 O16.25 Pt4 S4 -","- C32 H36 N20 O16.29 Pt4 S4 -","- C128 H144 N80 O65.16 Pt16 S16 -","4","0.25","","Shao, Jia; Bao, Wei-Guo; Tian, He; Li, Bing; Zhao, Xiao-Fei; Qiao, Xin; Xu, Jing-Yuan","Nuclease activity and protein-binding properties of a novel tetranuclear thiosemicarbazide Pt(II) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1663","1671","10.1039/c3dt52044g","","","0.71073","MoKα","","0.0571","0.049","","","0.1371","0.1434","","","","","","1.135","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028351","8.95","0.0007","22.688","0.002","7.5123","0.0007","90","","90","","90","","1525.4","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H14 N2 Ni S2 -","- C16 H14 N2 Ni S2 -","- C64 H56 N8 Ni4 S8 -","4","1","","Dutta, Pradip Kr; Asatkar, Ashish K.; Zade, Sanjio S.; Panda, Snigdha","Oxidative addition of disulfide/diselenide to group 10 metal(0) and in situ functionalization to form neutral thiasalen/selenasalen group 10 metal(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1736","1743","10.1039/c3dt52132j","","","0.71073","MoKα","","0.0257","0.0215","","","0.0481","0.0498","","","","","","1.024","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028352","10.381","0.001","12.0674","0.0011","12.7544","0.0011","72.987","0.002","85.737","0.002","83.075","0.002","1515.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 Pd Se2 -","- C16 H14 N2 Pd Se2 -","- C64 H56 N8 Pd4 Se8 -","4","2","","Dutta, Pradip Kr; Asatkar, Ashish K.; Zade, Sanjio S.; Panda, Snigdha","Oxidative addition of disulfide/diselenide to group 10 metal(0) and in situ functionalization to form neutral thiasalen/selenasalen group 10 metal(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1736","1743","10.1039/c3dt52132j","","","0.71073","MoKα","","0.0181","0.0164","","","0.0386","0.0392","","","","","","1.045","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028353","10.398","0.006","12.088","0.007","12.955","0.007","71.269","0.013","86.197","0.018","82.699","0.014","1529","1.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 Ni Se2 -","- C16 H14 N2 Ni Se2 -","- C64 H56 N8 Ni4 Se8 -","4","2","","Dutta, Pradip Kr; Asatkar, Ashish K.; Zade, Sanjio S.; Panda, Snigdha","Oxidative addition of disulfide/diselenide to group 10 metal(0) and in situ functionalization to form neutral thiasalen/selenasalen group 10 metal(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1736","1743","10.1039/c3dt52132j","","","0.71073","MoKα","","0.0731","0.0438","","","0.1065","0.1216","","","","","","1.025","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028354","7.5651","0.0009","7.9224","0.0009","26.82","0.003","90","","97.961","0.002","90","","1591.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 Pt S2 -","- C16 H14 N2 Pt S2 -","- C64 H56 N8 Pt4 S8 -","4","1","","Dutta, Pradip Kr; Asatkar, Ashish K.; Zade, Sanjio S.; Panda, Snigdha","Oxidative addition of disulfide/diselenide to group 10 metal(0) and in situ functionalization to form neutral thiasalen/selenasalen group 10 metal(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1736","1743","10.1039/c3dt52132j","","","0.71073","MoKα","","0.0751","0.0644","","","0.1849","0.1941","","","","","","1.085","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028355","10.494","0.0012","12.1603","0.0015","12.8887","0.0016","72.482","0.002","85.863","0.002","83.337","0.002","1556.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 Pt Se2 -","- C16 H14 N2 Pt Se2 -","- C64 H56 N8 Pt4 Se8 -","4","2","","Dutta, Pradip Kr; Asatkar, Ashish K.; Zade, Sanjio S.; Panda, Snigdha","Oxidative addition of disulfide/diselenide to group 10 metal(0) and in situ functionalization to form neutral thiasalen/selenasalen group 10 metal(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1736","1743","10.1039/c3dt52132j","","","0.71073","MoKα","","0.0408","0.0319","","","0.0817","0.0856","","","","","","1.149","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028356","11.9099","0.0002","13.3448","0.0001","8.4333","0.0003","90","","96.295","0.001","90","","1332.27","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Gd N O8 -","- C11 H14 Gd N O8 -","- C44 H56 Gd4 N4 O32 -","4","1","","Girginova, Penka I.; Pereira, Laura C. J.; Coutinho, Joana T.; Santos, Isabel C.; Almeida, Manuel","Slow magnetic relaxation in lanthanide ladder type coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1897","1905","10.1039/c3dt52748d","","","0.71073","MoKα","","0.017","0.0159","","","0.0383","0.0387","","","","","","1.03","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028357","11.9132","0.0007","13.2782","0.0008","8.4139","0.0005","90","","96.39","0.002","90","","1322.69","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N O8 Tb -","- C11 H14 N O8 Tb -","- C44 H56 N4 O32 Tb4 -","4","1","","Girginova, Penka I.; Pereira, Laura C. J.; Coutinho, Joana T.; Santos, Isabel C.; Almeida, Manuel","Slow magnetic relaxation in lanthanide ladder type coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1897","1905","10.1039/c3dt52748d","","","0.71073","MoKα","","0.0181","0.0156","","","0.0362","0.037","","","","","","1.066","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028358","11.964","0.0003","13.2553","0.0005","8.4017","0.0004","90","","96.455","0.001","90","","1323.95","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Dy N O8 -","- C11 H14 Dy N O8 -","- C44 H56 Dy4 N4 O32 -","4","1","","Girginova, Penka I.; Pereira, Laura C. J.; Coutinho, Joana T.; Santos, Isabel C.; Almeida, Manuel","Slow magnetic relaxation in lanthanide ladder type coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1897","1905","10.1039/c3dt52748d","","","0.71073","MoKα","","0.0216","0.0174","","","0.0385","0.0398","","","","","","1.024","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028359","12.0228","0.0003","13.1583","0.0003","8.3837","0.0002","90","","96.514","0.001","90","","1317.74","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Er N O8 -","- C11 H14 Er N O8 -","- C44 H56 Er4 N4 O32 -","4","1","","Girginova, Penka I.; Pereira, Laura C. J.; Coutinho, Joana T.; Santos, Isabel C.; Almeida, Manuel","Slow magnetic relaxation in lanthanide ladder type coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1897","1905","10.1039/c3dt52748d","","","0.71073","MoKα","","0.0254","0.02","","","0.0451","0.0466","","","","","","1.051","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028360","8.0201","0.0012","19.173","0.003","7.3148","0.0011","90","","93.877","0.003","90","","1122.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","9-propargylguanine+CuBr2","","","- C16 H14 Br4 Cu3 N10 O2 -","- C16 H14 Br4 Cu3 N10 O2 -","- C32 H28 Br8 Cu6 N20 O4 -","2","0.5","","Nagapradeep, N.; Venkatesh, V.; Tripathi, S. K.; Verma, Sandeep","Guanine-copper coordination polymers: crystal analysis and application as thin film precursors.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1744","1752","10.1039/c3dt52415a","","","0.71073","MoKα","","0.0718","0.0647","","","0.1929","0.1999","","","","","","1.14","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028361","7.877","0.002","19.236","0.005","7.151","0.002","90","","93.808","0.004","90","","1081.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","9-propargylguanine+CuCl2","","","- C16 H14 Cl4 Cu3 N10 O2 -","- C16 H14 Cl4 Cu3 N10 O2 -","- C32 H28 Cl8 Cu6 N20 O4 -","2","0.5","","Nagapradeep, N.; Venkatesh, V.; Tripathi, S. K.; Verma, Sandeep","Guanine-copper coordination polymers: crystal analysis and application as thin film precursors.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1744","1752","10.1039/c3dt52415a","","","0.71073","MoKα","","0.0781","0.055","","","0.1692","0.2367","","","","","","1.083","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028362","10.0805","0.0012","10.2327","0.0012","17.619","0.002","74.604","0.003","78.168","0.002","87.898","0.002","1714.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","9-allylguanine+CuCl2","","","- C52 H70 Cl6 Cu3 N30 O10 -","- C52 H70 Cl6 Cu3 N30 O10 -","- C52 H70 Cl6 Cu3 N30 O10 -","1","0.5","","Nagapradeep, N.; Venkatesh, V.; Tripathi, S. K.; Verma, Sandeep","Guanine-copper coordination polymers: crystal analysis and application as thin film precursors.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1744","1752","10.1039/c3dt52415a","","","0.71073","MoKα","","0.0593","0.0509","","","0.1418","0.1594","","","","","","1.141","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028363","8.3665","0.0002","24.8131","0.0006","11.1353","0.0003","90","","99.135","0.001","90","","2282.36","0.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Fe N O P S -","- C26 H26 Fe N O P S -","- C104 H104 Fe4 N4 O4 P4 S4 -","4","1","","Tauchman, Jiří; Císařová, Ivana; Stěpnička, Petr","Synthesis and structural characterisation of Pd(II) and Pt(II) complexes with a flexible, ferrocene-based P,S-donor amidophosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1599","1608","10.1039/c3dt52760c","","","0.71073","MoKα","","0.0403","0.0339","","","0.0845","0.0881","","","","","","1.057","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7028364","10.5814","0.0004","11.0866","0.0004","11.8118","0.0004","69.962","0.001","64.83","0.001","81.931","0.001","1178.15","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Fe N O2 P S -","- C26 H26 Fe N O2 P S -","- C52 H52 Fe2 N2 O4 P2 S2 -","2","1","","Tauchman, Jiří; Císařová, Ivana; Stěpnička, Petr","Synthesis and structural characterisation of Pd(II) and Pt(II) complexes with a flexible, ferrocene-based P,S-donor amidophosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1599","1608","10.1039/c3dt52760c","","","0.71073","MoKα","","0.0477","0.0387","","","0.1075","0.115","","","","","","1.05","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028365","9.4362","0.0003","10.7177","0.0003","14.0579","0.0004","109.416","0.001","107.291","0.001","90.302","0.001","1271.71","0.07","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C26 H27 Cl2 Fe N O1.5 P Pd S -","- C26 H27 Cl2 Fe N O1.5 P Pd S -","- C52 H54 Cl4 Fe2 N2 O3 P2 Pd2 S2 -","2","1","","Tauchman, Jiří; Císařová, Ivana; Stěpnička, Petr","Synthesis and structural characterisation of Pd(II) and Pt(II) complexes with a flexible, ferrocene-based P,S-donor amidophosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1599","1608","10.1039/c3dt52760c","","","0.71073","MoKα","","0.0211","0.0189","","","0.0449","0.0459","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028366","8.7438","0.0002","10.5637","0.0002","14.1431","0.0003","91.953","0.001","90.081","0.001","99.957","0.001","1285.89","0.05","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C26 H26 Cl2 Fe N O P Pt S -","- C26 H26 Cl2 Fe N O P Pt S -","- C52 H52 Cl4 Fe2 N2 O2 P2 Pt2 S2 -","2","1","","Tauchman, Jiří; Císařová, Ivana; Stěpnička, Petr","Synthesis and structural characterisation of Pd(II) and Pt(II) complexes with a flexible, ferrocene-based P,S-donor amidophosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1599","1608","10.1039/c3dt52760c","","","0.71073","MoKα","","0.0167","0.0151","","","0.0317","0.0322","","","","","","1.027","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028367","9.3969","0.0012","10.905","0.0013","15.3844","0.0018","95.995","0.004","102.319","0.004","113.71","0.004","1377.9","0.3","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H30 Cl2 Fe N O2 P Pt S -","- C28 H30 Cl2 Fe N O2 P Pt S -","- C56 H60 Cl4 Fe2 N2 O4 P2 Pt2 S2 -","2","1","","Tauchman, Jiří; Císařová, Ivana; Stěpnička, Petr","Synthesis and structural characterisation of Pd(II) and Pt(II) complexes with a flexible, ferrocene-based P,S-donor amidophosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1599","1608","10.1039/c3dt52760c","","","0.71073","MoKα","","0.0185","0.0164","","","0.0342","0.0347","","","","","","1.028","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028368","14.2431","0.0002","10.0854","0.0002","25.7808","0.0004","90","","96.352","0.002","90","","3680.61","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 B Cl4 F15 N2 -","- C33 H28 B Cl4 F15 N2 -","- C132 H112 B4 Cl16 F60 N8 -","4","1","","Theuergarten, Eileen; Bannenberg, Thomas; Walter, Marc D.; Holschumacher, Dirk; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Computational and experimental investigations of CO2 and N2O fixation by sterically demanding N-heterocyclic carbenes (NHC) and NHC/borane FLP systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1651","1662","10.1039/c3dt52742e","","","1.54184","CuKα","","0.0479","0.0434","","","0.1044","0.1079","","","","","","1.061","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028369","13.7743","0.0003","13.7329","0.0004","12.8256","0.0003","90","","90","","90","","2426.1","0.1","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C96 H160 N16 O16 -","8","1","","Theuergarten, Eileen; Bannenberg, Thomas; Walter, Marc D.; Holschumacher, Dirk; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Computational and experimental investigations of CO2 and N2O fixation by sterically demanding N-heterocyclic carbenes (NHC) and NHC/borane FLP systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1651","1662","10.1039/c3dt52742e","","","1.54184","CuKα","","0.0423","0.0404","","","0.1113","0.1131","","","","","","1.072","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028370","13.4475","0.0007","12.6951","0.0007","16.1958","0.0009","90","","97.919","0.005","90","","2738.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 O2 -","- C14 H24 N2 O2 -","- C112 H192 N16 O16 -","8","2","","Theuergarten, Eileen; Bannenberg, Thomas; Walter, Marc D.; Holschumacher, Dirk; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Computational and experimental investigations of CO2 and N2O fixation by sterically demanding N-heterocyclic carbenes (NHC) and NHC/borane FLP systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1651","1662","10.1039/c3dt52742e","","","0.71073","MoKα","","0.0899","0.0561","","","0.1257","0.142","","","","","","1.014","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028371","12.5421","0.0002","12.7742","0.0002","18.7596","0.0004","90","","90","","90","","3005.57","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H20 B F15 N4 O -","- C29 H20 B F15 N4 O -","- C116 H80 B4 F60 N16 O4 -","4","1","","Theuergarten, Eileen; Bannenberg, Thomas; Walter, Marc D.; Holschumacher, Dirk; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Computational and experimental investigations of CO2 and N2O fixation by sterically demanding N-heterocyclic carbenes (NHC) and NHC/borane FLP systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1651","1662","10.1039/c3dt52742e","","","0.71073","MoKα","","0.0376","0.0297","","","0.0612","0.0643","","","","","","1.027","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028372","9.5262","0.0004","18.5035","0.0008","17.6858","0.0008","90","","92.377","0.004","90","","3114.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 B F15 N4 O -","- C31 H24 B F15 N4 O -","- C124 H96 B4 F60 N16 O4 -","4","1","","Theuergarten, Eileen; Bannenberg, Thomas; Walter, Marc D.; Holschumacher, Dirk; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Computational and experimental investigations of CO2 and N2O fixation by sterically demanding N-heterocyclic carbenes (NHC) and NHC/borane FLP systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1651","1662","10.1039/c3dt52742e","","","1.54184","CuKα","","0.0496","0.0396","","","0.1011","0.1084","","","","","","1.025","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028373","16.7931","0.0008","10.2527","0.0004","17.3649","0.0008","90","","101.923","0.004","90","","2925.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 B F15 N2 O2 -","- C30 H20 B F15 N2 O2 -","- C120 H80 B4 F60 N8 O8 -","4","1","","Theuergarten, Eileen; Bannenberg, Thomas; Walter, Marc D.; Holschumacher, Dirk; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Computational and experimental investigations of CO2 and N2O fixation by sterically demanding N-heterocyclic carbenes (NHC) and NHC/borane FLP systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1651","1662","10.1039/c3dt52742e","","","0.71073","MoKα","","0.0836","0.0397","","","0.0808","0.0878","","","","","","0.917","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028374","15.2938","0.0008","10.6292","0.0006","21.1241","0.0008","90","","92.911","0.006","90","","3429.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 B Cl2 F15 N2 O2 -","- C33 H26 B Cl2 F15 N2 O2 -","- C132 H104 B4 Cl8 F60 N8 O8 -","4","1","","Theuergarten, Eileen; Bannenberg, Thomas; Walter, Marc D.; Holschumacher, Dirk; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Computational and experimental investigations of CO2 and N2O fixation by sterically demanding N-heterocyclic carbenes (NHC) and NHC/borane FLP systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1651","1662","10.1039/c3dt52742e","","","1.54184","CuKα","","0.0622","0.0451","","","0.1087","0.1199","","","","","","1.001","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028375","9.2956","0.0002","11.7049","0.0002","11.2144","0.0002","90","","99.208","0.002","90","","1204.45","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 N4 O -","- C11 H20 N4 O -","- C44 H80 N16 O4 -","4","1","","Theuergarten, Eileen; Bannenberg, Thomas; Walter, Marc D.; Holschumacher, Dirk; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Computational and experimental investigations of CO2 and N2O fixation by sterically demanding N-heterocyclic carbenes (NHC) and NHC/borane FLP systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1651","1662","10.1039/c3dt52742e","","","1.54184","CuKα","","0.0372","0.0356","","","0.0919","0.0934","","","","","","1.027","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028376","12.819","0.0016","9.0047","0.0012","14.5674","0.0019","90","","113.574","0.002","90","","1541.2","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N Nd O13 P2 -","- C6 H16 N Nd O13 P2 -","- C24 H64 N4 Nd4 O52 P8 -","4","1","","Jiao, Cheng-Qi; Zhang, Ji-Cai; Zhao, Yan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dai, Lu-Lu; Shi, Shao-Ping; Zhou, Wei","Lanthanide(III) oxalatophosphonates: syntheses, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1542","1549","10.1039/c3dt51618k","","","0.71073","MoKα","","0.0854","0.0395","","","0.0639","0.0767","","","","","","1.012","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028377","12.7908","0.0013","8.9552","0.0009","14.5187","0.0015","90","","113.486","0.001","90","","1525.3","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N O13 P2 Sm -","- C6 H16 N O13 P2 Sm -","- C24 H64 N4 O52 P8 Sm4 -","4","1","","Jiao, Cheng-Qi; Zhang, Ji-Cai; Zhao, Yan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dai, Lu-Lu; Shi, Shao-Ping; Zhou, Wei","Lanthanide(III) oxalatophosphonates: syntheses, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1542","1549","10.1039/c3dt51618k","","","0.71073","MoKα","","0.032","0.0244","","","0.0567","0.0605","","","","","","1.052","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028378","12.7935","0.0018","8.9211","0.0012","14.501","0.002","90","","113.489","0.002","90","","1517.9","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Eu N O13 P2 -","- C6 H16 Eu N O13 P2 -","- C24 H64 Eu4 N4 O52 P8 -","4","1","","Jiao, Cheng-Qi; Zhang, Ji-Cai; Zhao, Yan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dai, Lu-Lu; Shi, Shao-Ping; Zhou, Wei","Lanthanide(III) oxalatophosphonates: syntheses, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1542","1549","10.1039/c3dt51618k","","","0.71073","MoKα","","0.0643","0.0339","","","0.0679","0.079","","","","","","1.01","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028379","12.3597","0.0009","11.3107","0.0007","14.841","0.0008","90","","106.96","0.005","90","","1984.5","0.2","295","2","295","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40 H42 Cl3 F6 N2 O P Ru -","- C40 H42 Cl3 F6 N2 O P Ru -","- C80 H84 Cl6 F12 N4 O2 P2 Ru2 -","2","1","","Ruzziconi, Renzo; Bellachioma, Gianfranco; Ciancaleoni, Gianluca; Lepri, Susan; Superchi, Stefano; Zanasi, Riccardo; Monaco, Guglielmo","Cationic half-sandwich quinolinophaneoxazoline-based (η6-p-cymene)ruthenium(II) complexes exhibiting different chirality types: synthesis and structural determination by complementary spectroscopic methods.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1636","1650","10.1039/c3dt52291a","","","0.71073","MoKα","","0.0719","0.0468","","","0.108","0.1159","","","","","","0.923","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028380","11.017","0.005","11.814","0.005","12.135","0.005","90","0.005","109.701","0.005","90","0.005","1487","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","hydrated compound 1","","","- C26 H22 Cu3 N2 O18 S2 -","- C26 H22 Cu3 N2 O18 S2 -","- C52 H44 Cu6 N4 O36 S4 -","2","0.5","","Tian, Yuyang; Allan, Phoebe K.; Renouf, Catherine L.; He, Xiang; McCormick, Laura J.; Morris, Russell E.","Synthesis and structural characterization of a single-crystal to single-crystal transformable coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1519","1523","10.1039/c3dt52579a","","","0.7749","synchrotron","","0.0378","0.0327","","","0.0904","0.0938","","","","","","1.023","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028381","10.075","0.005","12.806","0.005","19.502","0.005","90","0.005","95.342","0.005","90","0.005","2505.2","1.7","500","2","500","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","dehydrated compound 2","","","- C26 H14.5 Cu3 N2 O14.25 S2 -","- C26 H14 Cu3 N2 O14.3 S2 -","- C104 H56 Cu12 N8 O57.2 S8 -","4","1","","Tian, Yuyang; Allan, Phoebe K.; Renouf, Catherine L.; He, Xiang; McCormick, Laura J.; Morris, Russell E.","Synthesis and structural characterization of a single-crystal to single-crystal transformable coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1519","1523","10.1039/c3dt52579a","","","0.7749","synchrotron","","0.1038","0.0713","","","0.1854","0.2118","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028382","12.0273","0.0005","12.0667","0.0004","12.6247","0.0004","100.282","0.003","110.275","0.003","102.003","0.003","1617.22","0.11","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H40 N6 O3 -","- C36 H40 N6 O3 -","- C72 H80 N12 O6 -","2","1","","Ji, Shuangzhi; Meng, Xiangming; Ye, Weipeng; Feng, Yan; Sheng, Hongting; Cai, Yulei; Liu, Jinsong; Zhu, Xiaofan; Guo, Qingxiang","A rhodamine-based ""turn-on"" fluorescent probe for Fe3+ in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1583","1588","10.1039/c3dt52422a","","","1.54184","CuKα","","0.0482","0.045","","","0.1246","0.1282","","","","","","1.025","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028383","17.982","0.005","17.982","0.005","21.19","0.01","90","","90","","120","","5934","4","120","2","120","2","","","","","","","synthesis as described","8","R 3 :H","R 3","146","","","","- C21 H63 La3 N3 Na O82 Si W12 -","- C21 H9 La3 N3 Na O82 Si W12 -","- C63 H27 La9 N9 Na3 O246 Si3 W36 -","3","0.333333","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Lotfian, Nahid; Salimi, Alireza; Bauzá, Antonio; Van Deun, Rik; Decadt, Roel; Barceló-Oliver, Miquel; Frontera, Antonio","Syntheses, structures, properties and DFT study of hybrid inorganic-organic architectures constructed from trinuclear lanthanide frameworks and Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1906","1916","10.1039/c3dt51971f","","x-ray","0.71073","MoKα","","0.1581","0.1314","","","0.3068","0.3302","","","","","","1.11","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028384","18.0556","0.001","18.0556","0.001","21.1228","0.0011","90","","90","","120","","5963.6","0.6","120","2","120","2","","","","","","","synthesis as described","8","R 3 :H","R 3","146","","","","- C21 H63 Ce3 N3 Na O82 Si W12 -","- C21 H9 Ce3 N3 Na O82 Si W12 -","- C63 H27 Ce9 N9 Na3 O246 Si3 W36 -","3","0.333333","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Lotfian, Nahid; Salimi, Alireza; Bauzá, Antonio; Van Deun, Rik; Decadt, Roel; Barceló-Oliver, Miquel; Frontera, Antonio","Syntheses, structures, properties and DFT study of hybrid inorganic-organic architectures constructed from trinuclear lanthanide frameworks and Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1906","1916","10.1039/c3dt51971f","","","0.71073","MoKα","","0.1078","0.0769","","","0.1817","0.2164","","","","","","1.013","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028385","18.0786","0.0007","18.0786","0.0007","20.9495","0.0009","90","","90","","120","","5929.7","0.4","120","2","120","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C21 H63 Eu3 N3 Na O82 Si W12 -","- C21 H9 Eu3 N3 Na O82 Si W12 -","- C63 H27 Eu9 N9 Na3 O246 Si3 W36 -","3","0.333333","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Lotfian, Nahid; Salimi, Alireza; Bauzá, Antonio; Van Deun, Rik; Decadt, Roel; Barceló-Oliver, Miquel; Frontera, Antonio","Syntheses, structures, properties and DFT study of hybrid inorganic-organic architectures constructed from trinuclear lanthanide frameworks and Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1906","1916","10.1039/c3dt51971f","","x-ray","0.71073","MoKα","","0.065","0.0519","","","0.112","0.1169","","","","","","0.985","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028386","16.514","0.0004","20.8786","0.0007","14.0532","0.0004","90","","90","","90","","4845.4","0.2","120","2","120","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C20 H24 N4 O41 Si W12 -","- C20 H24 N4 O42 Si W12 -","- C80 H96 N16 O168 Si4 W48 -","4","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Lotfian, Nahid; Salimi, Alireza; Bauzá, Antonio; Van Deun, Rik; Decadt, Roel; Barceló-Oliver, Miquel; Frontera, Antonio","Syntheses, structures, properties and DFT study of hybrid inorganic-organic architectures constructed from trinuclear lanthanide frameworks and Keggin-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1906","1916","10.1039/c3dt51971f","","x-ray","0.71073","MoKα","","0.1193","0.1011","","","0.2018","0.2104","","","","","","1.238","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028387","8.236","0.0004","8.768","0.0005","8.7895","0.0004","77.874","0.005","80.894","0.004","72.726","0.005","589.43","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bis(pyridine-N-oxide)silver nitrate","bis(pyridine-N-oxide)silver nitrate","","- C10 H10 Ag N3 O5 -","- C10 H10 Ag N3 O5 -","- C20 H20 Ag2 N6 O10 -","2","1","","Sniekers, Jeroen; Brooks, Neil R.; Schaltin, Stijn; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","High current density electrodeposition of silver from silver-containing liquid metal salts with pyridine-N-oxide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1589","1598","10.1039/c3dt52416g","","","0.71073","MoKα","","0.018","0.0166","","","0.0425","0.0433","","","","","","1.063","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028388","11.6002","0.0002","6.90176","0.00012","17.1007","0.0004","90","","104.866","0.002","90","","1323.29","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Ag N2 O5 S -","- C11 H13 Ag N2 O5 S -","- C44 H52 Ag4 N8 O20 S4 -","4","1","","Sniekers, Jeroen; Brooks, Neil R.; Schaltin, Stijn; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","High current density electrodeposition of silver from silver-containing liquid metal salts with pyridine-N-oxide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1589","1598","10.1039/c3dt52416g","","","0.71073","MoKα","","0.0214","0.0189","","","0.0429","0.0444","","","","","","1.038","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028389","25.9649","0.0005","25.9649","0.0005","11.8154","0.0003","90","","90","","90","","7965.7","0.3","100","2","100","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C16 H15 Ag F3 N3 O6 S -","- C16 H15 Ag F3 N3 O6 S -","- C256 H240 Ag16 F48 N48 O96 S16 -","16","","","Sniekers, Jeroen; Brooks, Neil R.; Schaltin, Stijn; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","High current density electrodeposition of silver from silver-containing liquid metal salts with pyridine-N-oxide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1589","1598","10.1039/c3dt52416g","","","0.71073","MoKα","","0.0231","0.0201","","","0.0492","0.0512","","","","","","1.055","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028390","25.4018","0.0011","25.4018","0.0011","12.5772","0.0005","90","","90","","120","","7028.2","0.5","99.97","0.12","100","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","tris(pyridine-N-oxide) silver bistriflimide","tris(pyridine-N-oxide) silver bis(trifluoromethylsulfonyl)imide","","- C17 H15 Ag F6 N4 O7 S2 -","- C17.0005 H15 Ag F6.0015 N4 O7 S2 -","- C204.006 H180 Ag12 F72.018 N48 O84 S24 -","12","2","","Sniekers, Jeroen; Brooks, Neil R.; Schaltin, Stijn; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","High current density electrodeposition of silver from silver-containing liquid metal salts with pyridine-N-oxide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1589","1598","10.1039/c3dt52416g","","","0.71073","MoKα","","0.046","0.0324","","","0.0586","0.0659","","","","","","1.047","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028391","25.5554","0.0004","25.5554","0.0004","56.4189","0.0011","90","","90","","120","","31909.5","0.9","100","2","100","2","","","","","","","","7","R -3","-R 3","148","tris(pyridine-N-oxide) silver bistriflimide","tris(pyridine-N-oxide) silver bis(trifluoromethylsulfonyl)imide","","- C51 H45 Ag3 F18 N12 O21 S6 -","- C51 H45 Ag3 F18 N12 O21 S6 -","- C918 H810 Ag54 F324 N216 O378 S108 -","18","","","Sniekers, Jeroen; Brooks, Neil R.; Schaltin, Stijn; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","High current density electrodeposition of silver from silver-containing liquid metal salts with pyridine-N-oxide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1589","1598","10.1039/c3dt52416g","","","0.71073","MoKα","","0.0408","0.0361","","","0.0848","0.0874","","","","","","1.184","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028392","7.0275","0.0003","25.8608","0.001","14.6674","0.0004","90","","90.519","0.003","90","","2665.5","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C43 H40 Ag3 F9 N8 O17 S3 -","- C43 H40 Ag3 F9 N8 O17 S3 -","- C86 H80 Ag6 F18 N16 O34 S6 -","2","1","","Sniekers, Jeroen; Brooks, Neil R.; Schaltin, Stijn; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","High current density electrodeposition of silver from silver-containing liquid metal salts with pyridine-N-oxide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1589","1598","10.1039/c3dt52416g","","","0.71073","MoKα","","0.0334","0.0311","","","0.0605","0.0616","","","","","","1.146","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028393","11.8967","0.0003","12.0724","0.0003","13.1001","0.0004","104.328","0.002","101.508","0.002","103.452","0.002","1705.67","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H17 F10 I4 N2 O2 -","- C32 H17 F10 I4 N2 O2 -","- C64 H34 F20 I8 N4 O4 -","2","1","","Giese, Michael; Albrecht, Markus; Bohnen, Christian; Repenko, Tatjana; Valkonen, Arto; Rissanen, Kari","Solid state anion-π interactions involving polyhalides.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1873","1880","10.1039/c3dt52960f","","","0.71073","MoKα","","0.0519","0.037","","","0.0733","0.0786","","","","","","1.09","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028394","19.1205","0.0002","24.7516","0.0003","24.1817","0.0003","90","","109.884","0.001","90","","10762","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H45 F25 I21 N5 O5 -","- C80 H45 F25 I21 N5 O5 -","- C320 H180 F100 I84 N20 O20 -","4","1","","Giese, Michael; Albrecht, Markus; Bohnen, Christian; Repenko, Tatjana; Valkonen, Arto; Rissanen, Kari","Solid state anion-π interactions involving polyhalides.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1873","1880","10.1039/c3dt52960f","","","0.71073","MoKα","","0.0878","0.0471","","","0.0784","0.0908","","","","","","1.058","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028395","11.8915","0.0003","11.9676","0.0004","12.8426","0.0004","93.975","0.002","104.276","0.003","104.76","0.003","1695.66","0.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H17 Br2 F10 I N2 O2 -","- C32 H17 Br2 F10 I N2 O2 -","- C64 H34 Br4 F20 I2 N4 O4 -","2","1","","Giese, Michael; Albrecht, Markus; Bohnen, Christian; Repenko, Tatjana; Valkonen, Arto; Rissanen, Kari","Solid state anion-π interactions involving polyhalides.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1873","1880","10.1039/c3dt52960f","","","0.71073","MoKα","","0.0506","0.0397","","","0.1013","0.1057","","","","","","1.092","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028396","13.7486","0.0006","8.7173","0.0004","13.7027","0.0006","90","","102.305","0.002","90","","1604.55","0.12","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 F10 I6 N2 -","- C20 H20 F10 I6 N2 -","- C40 H40 F20 I12 N4 -","2","0.5","","Giese, Michael; Albrecht, Markus; Bohnen, Christian; Repenko, Tatjana; Valkonen, Arto; Rissanen, Kari","Solid state anion-π interactions involving polyhalides.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1873","1880","10.1039/c3dt52960f","","","0.71073","MoKα","","0.0485","0.0371","","","0.0718","0.0755","","","","","","1.075","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028397","17.598","0.003","13.682","0.003","22.288","0.004","90","","103.04","0.03","90","","5228","1.8","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94 H142 F12 N4 Ni2 P6 S4 -","- C94 H100 F12 N4 Ni2 P6 S4 -","- C188 H200 F24 N8 Ni4 P12 S8 -","2","0.5","","Wu, Xin-Yi; Ren, Zhi-Gang; Lang, Jian-Ping","Ni(II) tetraphosphine complexes as catalysts/initiators in the ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1716","1723","10.1039/c3dt52412d","","","0.71073","MoKα","","0.1149","0.0843","","","0.2164","0.2439","","","","","","1.105","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028398","10.698","0.002","13.04","0.003","14.566","0.003","105.34","0.03","90.21","0.03","103.31","0.03","1902.4","0.8","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H80 F12 N4 Ni2 O2 P6 S4 -","- C70 H80 F12 N4 Ni2 O2 P6 S4 -","- C70 H80 F12 N4 Ni2 O2 P6 S4 -","1","0.5","","Wu, Xin-Yi; Ren, Zhi-Gang; Lang, Jian-Ping","Ni(II) tetraphosphine complexes as catalysts/initiators in the ring opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1716","1723","10.1039/c3dt52412d","","","0.71073","MoKα","","0.0947","0.0761","","","0.2286","0.2481","","","","","","1.1","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028399","12.4957","0.0011","17.9095","0.0015","18.8656","0.0016","75.517","0.002","77.908","0.002","72.819","0.002","3863.2","0.6","191","2","191","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H69 Cl3 N20 O37 Tb4 -","- C52 H44 Cl3 N20 O37 Tb4 -","- C104 H88 Cl6 N40 O74 Tb8 -","2","1","","Xue, Shufang; Guo, Yun-Nan; Zhao, Lang; Zhang, Peng; Tang, Jinkui","Unique Y-shaped lanthanide aggregates and single-molecule magnet behaviour for the Dy4 analogue.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1564","1570","10.1039/c3dt52444b","","","0.71073","MoKα","","0.1469","0.0762","","","0.1831","0.2292","","","","","","1.029","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028400","12.476","0.0005","18.1599","0.0007","19.0132","0.0007","75.704","0.001","79.003","0.001","72.575","0.001","3950.8","0.3","191","2","191","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H69 Cl3 Dy4 N20 O37 -","- C52 H44 Cl3 Dy4 N20 O37 -","- C104 H88 Cl6 Dy8 N40 O74 -","2","1","","Xue, Shufang; Guo, Yun-Nan; Zhao, Lang; Zhang, Peng; Tang, Jinkui","Unique Y-shaped lanthanide aggregates and single-molecule magnet behaviour for the Dy4 analogue.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1564","1570","10.1039/c3dt52444b","","","0.71073","MoKα","","0.0674","0.0485","","","0.1344","0.1533","","","","","","1.064","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028401","12.4595","0.0006","17.8535","0.0009","18.7652","0.001","75.459","0.001","77.751","0.001","72.651","0.001","3813.9","0.3","191","2","191","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H69 Cl3 Ho4 N20 O37 -","- C52 H44 Cl3 Ho4 N20 O37 -","- C104 H88 Cl6 Ho8 N40 O74 -","2","1","","Xue, Shufang; Guo, Yun-Nan; Zhao, Lang; Zhang, Peng; Tang, Jinkui","Unique Y-shaped lanthanide aggregates and single-molecule magnet behaviour for the Dy4 analogue.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1564","1570","10.1039/c3dt52444b","","","0.71073","MoKα","","0.0715","0.051","","","0.1291","0.1444","","","","","","1.069","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028402","15.179","0.004","4.2189","0.001","16.682","0.003","90","","117.679","0.017","90","","946","0.4","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H14 Br2 N4 Pb -","- C14 H14 Br2 N4 Pb -","- C28 H28 Br4 N8 Pb2 -","2","0.5","","Hashemi, Lida; Morsali, Ali; Joo, Sang Woo","Mechanochemical solid state anion-exchange of lead(II) coordination polymers via an intermediate coordination polymer; new precursors for the preparation of PbBr2/Pb3O2Br2, PbBr(OH) and PbO nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1489","1492","10.1039/c3dt51533h","","","0.71073","MoKα","","0.053","0.0466","","","0.1077","0.1235","","","","","","1.216","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028403","8.3995","0.0001","17.9496","0.0003","27.9998","0.0005","104.475","0.001","89.987","0.001","117.915","0.001","3578.05","0.11","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Br2.16 N9.84 O5.5 Pb2 -","- C28 H28 Br2.164 N9.836 O5.508 Pb2 -","- C112 H112 Br8.656 N39.344 O22.032 Pb8 -","4","2","","Hashemi, Lida; Morsali, Ali; Joo, Sang Woo","Mechanochemical solid state anion-exchange of lead(II) coordination polymers via an intermediate coordination polymer; new precursors for the preparation of PbBr2/Pb3O2Br2, PbBr(OH) and PbO nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1489","1492","10.1039/c3dt51533h","","","0.71073","MoKα","","0.0651","0.0346","","","0.0787","0.0926","","","","","","1.022","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028404","23.79","0.003","13.7091","0.0015","22.003","0.002","90","","112.902","0.002","90","","6610.4","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 Cl Mo N2 O11 P7 -","- C72 H60 Cl Mo N2 O11 P7 -","- C288 H240 Cl4 Mo4 N8 O44 P28 -","4","1","","Manna, Cesar M.; Nassar, Mostafa Y.; Tofan, Daniel; Chakarawet, Khetpakorn; Cummins, Christopher C.","Facile synthesis of mononuclear early transition-metal complexes of κ3cyclo-tetrametaphosphate ([P4O12]4-) and cyclo-trimetaphosphate ([P3O9]3-.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1509","1518","10.1039/c3dt52526k","","","0.71073","MoKα","","0.0534","0.0349","","","0.0738","0.0831","","","","","","1.025","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028405","10.8738","0.0014","12.8662","0.0016","13.5974","0.0017","63.331","0.002","87.802","0.002","80.09","0.002","1673","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H60 Cl2 Mo N2 O10 P7 -","- C72 H60 Cl2 Mo N2 O10 P7 -","- C72 H60 Cl2 Mo N2 O10 P7 -","1","0.5","","Manna, Cesar M.; Nassar, Mostafa Y.; Tofan, Daniel; Chakarawet, Khetpakorn; Cummins, Christopher C.","Facile synthesis of mononuclear early transition-metal complexes of κ3cyclo-tetrametaphosphate ([P4O12]4-) and cyclo-trimetaphosphate ([P3O9]3-.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1509","1518","10.1039/c3dt52526k","","","0.71073","MoKα","","0.0697","0.0676","","","0.1664","0.1673","","","","","","1.115","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028406","12.1845","0.0016","23.687","0.003","23.769","0.003","90","","90","","90","","6860.1","1.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C216 H460 Cl8 Mo4 N12 O56 P16 -","- C216 H460 Cl8 Mo4 N12 O56 P16 -","- C216 H460 Cl8 Mo4 N12 O56 P16 -","1","0.25","","Manna, Cesar M.; Nassar, Mostafa Y.; Tofan, Daniel; Chakarawet, Khetpakorn; Cummins, Christopher C.","Facile synthesis of mononuclear early transition-metal complexes of κ3cyclo-tetrametaphosphate ([P4O12]4-) and cyclo-trimetaphosphate ([P3O9]3-.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1509","1518","10.1039/c3dt52526k","","","0.71073","MoKα","","0.0726","0.0617","","","0.1425","0.1503","","","","","","1.044","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028407","10.7925","0.0012","13.5617","0.0014","24.724","0.003","83.503","0.002","84.906","0.002","88.089","0.002","3580.3","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H64 Cl4 F2 N2 O10 P7 V -","- C74 H64 Cl4 F2 N2 O10 P7 V -","- C148 H128 Cl8 F4 N4 O20 P14 V2 -","2","1","","Manna, Cesar M.; Nassar, Mostafa Y.; Tofan, Daniel; Chakarawet, Khetpakorn; Cummins, Christopher C.","Facile synthesis of mononuclear early transition-metal complexes of κ3cyclo-tetrametaphosphate ([P4O12]4-) and cyclo-trimetaphosphate ([P3O9]3-.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1509","1518","10.1039/c3dt52526k","","","0.71073","MoKα","","0.0592","0.0479","","","0.1261","0.1344","","","","","","1.029","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028408","23.8075","0.0018","13.7219","0.0011","22.0782","0.0017","90","","113","0.001","90","","6639.2","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 Cl N2 O11 P7 W -","- C72 H60 Cl N2 O11 P7 W -","- C288 H240 Cl4 N8 O44 P28 W4 -","4","1","","Manna, Cesar M.; Nassar, Mostafa Y.; Tofan, Daniel; Chakarawet, Khetpakorn; Cummins, Christopher C.","Facile synthesis of mononuclear early transition-metal complexes of κ3cyclo-tetrametaphosphate ([P4O12]4-) and cyclo-trimetaphosphate ([P3O9]3-.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1509","1518","10.1039/c3dt52526k","","","0.71073","MoKα","","0.027","0.0221","","","0.0511","0.0531","","","","","","1.03","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028409","29.871","0.005","13.004","0.002","20.9","0.003","90","","122.557","0.002","90","","6842.7","1.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C77 H65 Mo N2 O11 P7 -","- C77 H65 Mo N2 O11 P7 -","- C308 H260 Mo4 N8 O44 P28 -","4","1","","Manna, Cesar M.; Nassar, Mostafa Y.; Tofan, Daniel; Chakarawet, Khetpakorn; Cummins, Christopher C.","Facile synthesis of mononuclear early transition-metal complexes of κ3cyclo-tetrametaphosphate ([P4O12]4-) and cyclo-trimetaphosphate ([P3O9]3-.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1509","1518","10.1039/c3dt52526k","","","0.71073","MoKα","","0.0237","0.0225","","","0.0588","0.0598","","","","","","1.041","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028410","12.722","0.002","23.246","0.004","23.461","0.004","90","","99.933","0.003","90","","6834","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H110 Cl3 Mo N3 O14 P4 -","- C49 H110 Cl3 Mo N3 O14 P4 -","- C196 H440 Cl12 Mo4 N12 O56 P16 -","4","1","","Manna, Cesar M.; Nassar, Mostafa Y.; Tofan, Daniel; Chakarawet, Khetpakorn; Cummins, Christopher C.","Facile synthesis of mononuclear early transition-metal complexes of κ3cyclo-tetrametaphosphate ([P4O12]4-) and cyclo-trimetaphosphate ([P3O9]3-.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1509","1518","10.1039/c3dt52526k","","","0.71073","MoKα","","0.0921","0.0668","","","0.173","0.1939","","","","","","1.048","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028411","19.3028","0.0006","14.8149","0.0004","23.5131","0.0005","90","","90","","90","","6724","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C66 H82 Cl6 N4 Pd2 -","- C66 H82 Cl6 N4 Pd2 -","- C264 H328 Cl24 N16 Pd8 -","4","0.5","","Zhu, Liang; Fu, Zhi-Sheng; Pan, Hui-Jie; Feng, Wei; Chen, Changle; Fan, Zhi-Qiang","Synthesis and application of binuclear α-diimine nickel/palladium catalysts with a conjugated backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2900","2906","10.1039/c3dt51782a","","","0.71073","MoKα","","0.0912","0.0587","","","0.144","0.1646","","","","","","1.038","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028412","9.11609","0.00012","9.11609","0.00012","50.8316","0.0009","90","","90","","120","","3658.32","0.09","293","2","293","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C21 H22 Br2 Cl2 N4 Ni -","- C21 H22 Br2 Cl2 N4 Ni -","- C126 H132 Br12 Cl12 N24 Ni6 -","6","0.5","","Zhu, Liang; Fu, Zhi-Sheng; Pan, Hui-Jie; Feng, Wei; Chen, Changle; Fan, Zhi-Qiang","Synthesis and application of binuclear α-diimine nickel/palladium catalysts with a conjugated backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2900","2906","10.1039/c3dt51782a","","","1.54184","CuKα","","0.0297","0.0283","","","0.0666","0.0673","","","","","","1.118","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7028413","21.135","0.003","21.135","0.003","8.5104","0.0017","90","","90","","120","","3292.2","0.9","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C126 H72 N18 O39 Zn12 -","- C126 H72 N18 O39 Zn12 -","- C126 H72 N18 O39 Zn12 -","1","0.166667","","Liu, Lei-Lei; Yu, Cai-Xia; Sun, Juan; Meng, Pan-Pan; Ma, Feng-Ji; Du, Ji-Min; Ma, Lu-Fang","Three coordination polymers constructed from various polynuclear clusters spaced by 2,2'-azodibenzoic acid: syntheses and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2915","2924","10.1039/c3dt52888j","","","0.71073","MoKα","","0.0654","0.0518","","","0.1374","0.146","","","","","","1.086","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028414","26.784","0.004","26.784","0.004","11.102","0.002","90","","90","","120","","6897.4","1.9","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H10 Cd N2 O5 -","- C14 H10 Cd N2 O5 -","- C252 H180 Cd18 N36 O90 -","18","1","","Liu, Lei-Lei; Yu, Cai-Xia; Sun, Juan; Meng, Pan-Pan; Ma, Feng-Ji; Du, Ji-Min; Ma, Lu-Fang","Three coordination polymers constructed from various polynuclear clusters spaced by 2,2'-azodibenzoic acid: syntheses and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2915","2924","10.1039/c3dt52888j","","","0.71073","MoKα","","0.0162","0.0152","","","0.0436","0.044","","","","","","1.083","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028415","9.8805","0.0004","12.1427","0.0005","13.0895","0.0006","89.271","0.003","70.875","0.004","80.56","0.003","1462.24","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H16 N4 O9 Pb3 -","- C28 H16 N4 O9 Pb3 -","- C56 H32 N8 O18 Pb6 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Sun, Juan; Meng, Pan-Pan; Ma, Feng-Ji; Du, Ji-Min; Ma, Lu-Fang","Three coordination polymers constructed from various polynuclear clusters spaced by 2,2'-azodibenzoic acid: syntheses and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2915","2924","10.1039/c3dt52888j","","","0.71073","MoKα","","0.0235","0.0186","","","0.0408","0.0423","","","","","","1.037","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028416","17.4688","0.0004","10.5106","0.0004","9.46","0.0002","90","","103.987","0.002","90","","1685.43","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Mo N2 O6 -","- C16 H16 Mo N2 O6 -","- C64 H64 Mo4 N8 O24 -","4","0.5","","Paul, Shiv Shankar; Selim, Md; Saha, Abhijit; Mukherjea, Kalyan K.","Synthesis and structural characterization of dioxomolybdenum and dioxotungsten hydroxamato complexes and their function in the protection of radiation induced DNA damage.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2835","2848","10.1039/c3dt52434e","","","0.71073","MoKα","","0.0218","0.0203","","","0.0535","0.0544","","","","","","1.109","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028417","17.4365","0.0016","10.5304","0.0016","9.4876","0.001","90","","104.276","0.002","90","","1688.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O6 W -","- C16 H16 N2 O6 W -","- C64 H64 N8 O24 W4 -","4","0.5","","Paul, Shiv Shankar; Selim, Md; Saha, Abhijit; Mukherjea, Kalyan K.","Synthesis and structural characterization of dioxomolybdenum and dioxotungsten hydroxamato complexes and their function in the protection of radiation induced DNA damage.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2835","2848","10.1039/c3dt52434e","","","0.71073","MoKα","","0.0182","0.0174","","","0.0446","0.045","","","","","","1.074","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028418","10.6652","0.0011","20.82","0.002","27.135","0.003","68.287","0.003","89.983","0.003","90.01","0.003","5597.8","1","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H91 B2 F8 N5 Ni O4 P4 -","- C46 H91 B2 F8 N5 Ni O4 P4 -","- C184 H364 B8 F32 N20 Ni4 O16 P16 -","4","2","","Das, Parthapratim; Ho, Ming-Hsun; O'Hagan, Molly; Shaw, Wendy J.; Morris Bullock, R.; Raugei, Simone; Helm, Monte L.","Controlling proton movement: electrocatalytic oxidation of hydrogen by a nickel(ii) complex containing proton relays in the second and outer coordination spheres.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2744","2754","10.1039/c3dt53074d","","","0.71073","MoKα","","0.114","0.0514","","","0.0955","0.1157","","","","","","0.971","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028419","7.514","0.012","8.352","0.014","9.08","0.015","69.07","0.014","72.274","0.014","89.133","0.015","504.1","1.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C24 H20 O8 -","2","1","","Li, Tianrong; Fang, Ran; Wang, Baodui; Shao, Yongliang; Liu, Jian; Zhang, Shouting; Yang, Zhengyin","A simple coumarin as a turn-on fluorescence sensor for Al(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2741","2743","10.1039/c3dt52414k","","","0.71073","MoKα","","0.0873","0.057","","","0.1462","0.162","","","","","","1.123","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028420","13.709","0.0005","13.709","0.0005","52.4235","0.0016","90","","90","","120","","8532.3","0.5","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C27.5 H27.5 Al Cl1.5 O9 -","- C27.5 H27.5 Al Cl1.5 O9 -","- C330 H330 Al12 Cl18 O108 -","12","","","Li, Tianrong; Fang, Ran; Wang, Baodui; Shao, Yongliang; Liu, Jian; Zhang, Shouting; Yang, Zhengyin","A simple coumarin as a turn-on fluorescence sensor for Al(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2741","2743","10.1039/c3dt52414k","","","0.7107","MoKα","","0.1069","0.0683","","","0.2004","0.234","","","","","","1.065","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7028421","10.2799","0.0008","6.122","0.0005","10.4446","0.0005","90","","96.922","0.005","90","","652.52","0.08","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H10 F2 N2 -","- C5 H10 F2 N2 -","- C20 H40 F8 N8 -","4","0.5","","Böttcher, Tobias; Steinhauer, Simon; Allefeld, Nadine; Hoge, Berthold; Neumann, Beate; Stammler, Hans Georg; Bassil, Bassem S.; Winter, Martin; Mitzel, Norbert W.; Röschenthaler, Gerd-Volker","Carbene complexes of phosphorus(v) fluorides substituted with perfluoroalkyl-groups synthesized by oxidative addition. Cleavage of the complexes reveals a new synthetic protocol for ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2979","2987","10.1039/c3dt53043d","","","0.71073","MoKα","","0.0395","0.0336","","","0.0886","0.0943","","","","","","1.072","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028422","15.251","0.004","15.894","0.004","5.8246","0.0018","90","","90","","90","","1411.9","0.7","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C5 H12 F2 N2 -","- C5 H12 F2 N2 -","- C40 H96 F16 N16 -","8","0.5","","Böttcher, Tobias; Steinhauer, Simon; Allefeld, Nadine; Hoge, Berthold; Neumann, Beate; Stammler, Hans Georg; Bassil, Bassem S.; Winter, Martin; Mitzel, Norbert W.; Röschenthaler, Gerd-Volker","Carbene complexes of phosphorus(v) fluorides substituted with perfluoroalkyl-groups synthesized by oxidative addition. Cleavage of the complexes reveals a new synthetic protocol for ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2979","2987","10.1039/c3dt53043d","","","0.71073","MoKα","","0.0384","0.0289","","","0.0541","0.0572","","","","","","1.165","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028423","12.203","0.003","8.517","0.002","7.388","0.003","90","","90","","90","","767.9","0.4","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C5 H10 Cl2 N2 -","- C5 H10 Cl2 N2 -","- C20 H40 Cl8 N8 -","4","0.5","","Böttcher, Tobias; Steinhauer, Simon; Allefeld, Nadine; Hoge, Berthold; Neumann, Beate; Stammler, Hans Georg; Bassil, Bassem S.; Winter, Martin; Mitzel, Norbert W.; Röschenthaler, Gerd-Volker","Carbene complexes of phosphorus(v) fluorides substituted with perfluoroalkyl-groups synthesized by oxidative addition. Cleavage of the complexes reveals a new synthetic protocol for ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2979","2987","10.1039/c3dt53043d","","","0.71073","MoKα","","0.0876","0.076","","","0.197","0.2072","","","","","","1.006","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028424","8.5939","0.0006","12.283","0.0008","9.743","0.0005","90","","90","","90","","1028.46","0.11","240","2","240","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H10 F7 N2 P -","- C6 H10 F7 N2 P -","- C24 H40 F28 N8 P4 -","4","0.5","","Böttcher, Tobias; Steinhauer, Simon; Allefeld, Nadine; Hoge, Berthold; Neumann, Beate; Stammler, Hans Georg; Bassil, Bassem S.; Winter, Martin; Mitzel, Norbert W.; Röschenthaler, Gerd-Volker","Carbene complexes of phosphorus(v) fluorides substituted with perfluoroalkyl-groups synthesized by oxidative addition. Cleavage of the complexes reveals a new synthetic protocol for ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2979","2987","10.1039/c3dt53043d","","","0.71073","MoKα","","0.063","0.0476","","","0.1301","0.1414","","","","","","1.059","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028425","8.6479","0.0002","10.9687","0.0002","12.724","0.0003","87.6528","0.0016","70.535","0.002","87.9102","0.0017","1136.68","0.05","99.95","0.16","99.95","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 F9 N2 P -","- C7 H10 F9 N2 P -","- C28 H40 F36 N8 P4 -","4","2","","Böttcher, Tobias; Steinhauer, Simon; Allefeld, Nadine; Hoge, Berthold; Neumann, Beate; Stammler, Hans Georg; Bassil, Bassem S.; Winter, Martin; Mitzel, Norbert W.; Röschenthaler, Gerd-Volker","Carbene complexes of phosphorus(v) fluorides substituted with perfluoroalkyl-groups synthesized by oxidative addition. Cleavage of the complexes reveals a new synthetic protocol for ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2979","2987","10.1039/c3dt53043d","","","0.7107","MoKα","","0.0313","0.0276","","","0.0749","0.0773","","","","","","1.065","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028426","9.3594","0.0002","21.9735","0.0005","12.1644","0.0003","90","","99.7832","0.0013","90","","2465.34","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 F9 N2 P -","- C7 H12 F9 N2 P -","- C56 H96 F72 N16 P8 -","8","2","","Böttcher, Tobias; Steinhauer, Simon; Allefeld, Nadine; Hoge, Berthold; Neumann, Beate; Stammler, Hans Georg; Bassil, Bassem S.; Winter, Martin; Mitzel, Norbert W.; Röschenthaler, Gerd-Volker","Carbene complexes of phosphorus(v) fluorides substituted with perfluoroalkyl-groups synthesized by oxidative addition. Cleavage of the complexes reveals a new synthetic protocol for ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2979","2987","10.1039/c3dt53043d","","","0.71073","MoKα","","0.0666","0.0419","","","0.1048","0.115","","","","","","1.039","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028427","3.0881","0.0004","13.602","0.002","9.6563","0.0015","90","","91.744","0.009","90","","405.42","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B2 F Li0.8 Mg2.1 O5 -","- B2 F Li0.793 Mg2.1035 O5 -","- B8 F4 Li3.172 Mg8.414 O20 -","4","1","","Wang, Zheng; Zhang, Min; Pan, Shilie; Wang, Ying; Zhang, Hui; Chen, Zhaohui","Li0.8Mg2.1B2O5F: the first borate fluoride with magnesium-oxygen-fluorine octahedral chains.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2828","2834","10.1039/c3dt52592a","","","0.71073","MoKα","","0.0507","0.0366","","","0.0935","0.1022","","","","","","1.008","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028428","11.2558","0.0004","13.104","0.0005","13.393","0.0005","69.84","0.001","79.44","0.001","82.646","0.001","1818.48","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 Br Cu N5 P -","- C42 H38 Br Cu N5 P -","- C84 H76 Br2 Cu2 N10 P2 -","2","1","","Vinogradova, Katerina A.; Plyusnin, Victor F.; Kupryakov, Arkady S.; Rakhmanova, Marianna I.; Pervukhina, Natalia V.; Naumov, Dmitrii Yu; Sheludyakova, Lilia A.; Nikolaenkova, Elena B.; Krivopalov, Viktor P.; Bushuev, Mark B.","Halide impact on emission of mononuclear copper(i) complexes with pyrazolylpyrimidine and triphenylphosphine.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2953","2960","10.1039/c3dt53040j","","x-ray","0.71073","MoKα","","0.0504","0.0341","","","0.0722","0.0762","","","","","","1.058","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028429","11.1677","0.0004","13.1184","0.0007","13.315","0.0007","69.397","0.001","79.404","0.001","82.514","0.001","1790.22","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 Cl Cu N5 P -","- C42 H38 Cl Cu N5 P -","- C84 H76 Cl2 Cu2 N10 P2 -","2","1","","Vinogradova, Katerina A.; Plyusnin, Victor F.; Kupryakov, Arkady S.; Rakhmanova, Marianna I.; Pervukhina, Natalia V.; Naumov, Dmitrii Yu; Sheludyakova, Lilia A.; Nikolaenkova, Elena B.; Krivopalov, Viktor P.; Bushuev, Mark B.","Halide impact on emission of mononuclear copper(i) complexes with pyrazolylpyrimidine and triphenylphosphine.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2953","2960","10.1039/c3dt53040j","","x-ray","0.71073","MoKα","","0.0494","0.033","","","0.0756","0.0799","","","","","","1.049","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028430","10.5244","0.0003","17.7367","0.0007","20.6698","0.0009","90","","104.19","0.001","90","","3740.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Cu I N5 P -","- C42 H38 Cu I N5 P -","- C168 H152 Cu4 I4 N20 P4 -","4","1","","Vinogradova, Katerina A.; Plyusnin, Victor F.; Kupryakov, Arkady S.; Rakhmanova, Marianna I.; Pervukhina, Natalia V.; Naumov, Dmitrii Yu; Sheludyakova, Lilia A.; Nikolaenkova, Elena B.; Krivopalov, Viktor P.; Bushuev, Mark B.","Halide impact on emission of mononuclear copper(i) complexes with pyrazolylpyrimidine and triphenylphosphine.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2953","2960","10.1039/c3dt53040j","","x-ray","0.71073","MoKα","","0.035","0.0256","","","0.0583","0.0615","","","","","","1.057","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028431","16.1173","0.0016","16.1173","0.0016","16.617","0.003","90","","90","","120","","3738.2","0.9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H44 Mn N2 O14 Zn2 -","- C54 H44 Mn N2 O14 Zn2 -","- C162 H132 Mn3 N5.99999 O42 Zn6 -","3","0.166667","","Bauer, Christina A.; Jones, Simon C.; Kinnibrugh, Tiffany L.; Tongwa, Paul; Farrell, Richard A.; Vakil, Avinash; Timofeeva, Tatiana V.; Khrustalev, Victor N.; Allendorf, Mark D.","Homo- and heterometallic luminescent 2-D stilbene metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2925","2935","10.1039/c3dt52939h","","","0.71073","MoKα","","0.0609","0.0382","","","0.0899","0.0965","","","","","","0.937","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028432","16.488","0.003","16.488","0.003","16.704","0.007","90","","90","","120","","3932.7","1.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H44 Cd3 N2 O14 -","- C54 H44 Cd3 N2 O14 -","- C162 H132 Cd9 N5.99999 O42 -","3","0.166667","","Bauer, Christina A.; Jones, Simon C.; Kinnibrugh, Tiffany L.; Tongwa, Paul; Farrell, Richard A.; Vakil, Avinash; Timofeeva, Tatiana V.; Khrustalev, Victor N.; Allendorf, Mark D.","Homo- and heterometallic luminescent 2-D stilbene metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2925","2935","10.1039/c3dt52939h","","","0.71073","MoKα","","0.0547","0.0335","","","0.0525","0.0543","","","","","","0.924","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028433","16.147","0.002","16.147","0.002","16.617","0.004","90","","90","","120","","3752","1.1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H44 Co2 Mn N2 O14 -","- C54 H44 Co2 Mn N2 O14 -","- C162 H132 Co6 Mn3 N5.99999 O42 -","3","0.166667","","Bauer, Christina A.; Jones, Simon C.; Kinnibrugh, Tiffany L.; Tongwa, Paul; Farrell, Richard A.; Vakil, Avinash; Timofeeva, Tatiana V.; Khrustalev, Victor N.; Allendorf, Mark D.","Homo- and heterometallic luminescent 2-D stilbene metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2925","2935","10.1039/c3dt52939h","","","0.71073","MoKα","","0.0543","0.0372","","","0.0941","0.0991","","","","","","0.946","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028434","16.3456","0.0019","16.3456","0.0019","16.59","0.004","90","","90","","120","","3838.7","1.1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H44 Mn3 N2 O14 -","- C54 H44 Mn3 N2 O14 -","- C162 H132 Mn9 N5.99999 O42 -","3","0.166667","","Bauer, Christina A.; Jones, Simon C.; Kinnibrugh, Tiffany L.; Tongwa, Paul; Farrell, Richard A.; Vakil, Avinash; Timofeeva, Tatiana V.; Khrustalev, Victor N.; Allendorf, Mark D.","Homo- and heterometallic luminescent 2-D stilbene metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2925","2935","10.1039/c3dt52939h","","","0.71073","MoKα","","0.0715","0.0584","","","0.1574","0.1661","","","","","","1.033","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028435","16.1672","0.001","16.1672","0.001","16.6171","0.001","90","","90","","120","","3761.5","0.4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H44 Cd N2 O14 Zn2 -","- C54 H44 Cd N2 O14 Zn2 -","- C162 H132 Cd3 N5.99999 O42 Zn6 -","3","0.166667","","Bauer, Christina A.; Jones, Simon C.; Kinnibrugh, Tiffany L.; Tongwa, Paul; Farrell, Richard A.; Vakil, Avinash; Timofeeva, Tatiana V.; Khrustalev, Victor N.; Allendorf, Mark D.","Homo- and heterometallic luminescent 2-D stilbene metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2925","2935","10.1039/c3dt52939h","","","0.71073","MoKα","","0.0789","0.0661","","","0.1618","0.1708","","","","","","1.001","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028436","16.1476","0.0019","16.1476","0.0019","16.476","0.004","90","","90","","120","","3720.5","1.1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H44 Co N2 O14 Zn2 -","- C54 H44 Co N2 O14 Zn2 -","- C162 H132 Co3 N5.99999 O42 Zn6 -","3","0.166667","","Bauer, Christina A.; Jones, Simon C.; Kinnibrugh, Tiffany L.; Tongwa, Paul; Farrell, Richard A.; Vakil, Avinash; Timofeeva, Tatiana V.; Khrustalev, Victor N.; Allendorf, Mark D.","Homo- and heterometallic luminescent 2-D stilbene metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2925","2935","10.1039/c3dt52939h","","","0.71073","MoKα","","0.0455","0.0375","","","0.1077","0.112","","","","","","1.062","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028437","17.7605","0.0003","8.0655","0.0001","14.5295","0.0002","90","","91.469","0.001","90","","2080.63","0.05","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H14 N5 O4 Re -","- C21 H14 N5 O4 Re -","- C84 H56 N20 O16 Re4 -","4","1","","Sarkar, Rupa; Mondal, Pallab; Rajak, Kajal Krishna","Synthesis, structure and spectroscopic properties of Re(i) complexes incorporating 5-arylazo-8-hydroxyquinoline: a density functional theory/time-dependent density functional theory investigation.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2859","2877","10.1039/c3dt52630e","","","0.71073","MoKα","","0.0569","0.0334","","","0.0707","0.0896","","","","","","1.069","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028438","6.2633","0.0003","13.3774","0.0006","15.3577","0.0007","66.642","0.002","81.68","0.002","79.222","0.002","1156.92","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 N5 O4 Re -","- C22 H16 N5 O4 Re -","- C44 H32 N10 O8 Re2 -","2","1","","Sarkar, Rupa; Mondal, Pallab; Rajak, Kajal Krishna","Synthesis, structure and spectroscopic properties of Re(i) complexes incorporating 5-arylazo-8-hydroxyquinoline: a density functional theory/time-dependent density functional theory investigation.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2859","2877","10.1039/c3dt52630e","","","0.71073","MoKα","","0.0739","0.0573","","","0.1448","0.152","","","","","","1.06","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028439","12.3331","0.0019","27.087","0.004","7.4501","0.0009","90","","104.149","0.013","90","","2413.3","0.6","353","2","353","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H9 D5 N5 Pt S4 -","- C21 H9 D5 N5 Pt S4 -","- C84 H36 D20 N20 Pt4 S16 -","4","1","","Ning, Wei-Hua; Chen, Xuan-Rong; Liu, Jian-Lan; Yang, Hao; Ren, Xiao-Ming","Two segregated columnar stack platinum-bis-dithiolene molecule solids showing spin-Peierls-type transition above room temperature.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2997","3004","10.1039/c3dt52757c","","","0.71073","MoKα","","0.1092","0.0588","","","0.1104","0.1364","","","","","","0.998","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028440","12.3066","0.0008","27.0522","0.0018","7.4248","0.0004","90","","104.204","0.006","90","","2396.3","0.3","353","2","353","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N5 Pt S4 -","- C21 H14 N5 Pt S4 -","- C84 H56 N20 Pt4 S16 -","4","1","","Ning, Wei-Hua; Chen, Xuan-Rong; Liu, Jian-Lan; Yang, Hao; Ren, Xiao-Ming","Two segregated columnar stack platinum-bis-dithiolene molecule solids showing spin-Peierls-type transition above room temperature.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2997","3004","10.1039/c3dt52757c","","","0.71073","MoKα","","0.0811","0.0431","","","0.0649","0.0756","","","","","","1.001","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028441","7.3308","0.0008","12.2848","0.0013","26.93","0.003","88.479","0.003","86.652","0.004","75.563","0.003","2344.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H9 D5 N5 Pt S4 -","- C21 H9 D5 N5 Pt S4 -","- C84 H36 D20 N20 Pt4 S16 -","4","2","","Ning, Wei-Hua; Chen, Xuan-Rong; Liu, Jian-Lan; Yang, Hao; Ren, Xiao-Ming","Two segregated columnar stack platinum-bis-dithiolene molecule solids showing spin-Peierls-type transition above room temperature.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2997","3004","10.1039/c3dt52757c","","","0.71073","MoKα","","0.1053","0.0802","","","0.2044","0.2112","","","","","","1.197","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028442","7.3203","0.001","12.2816","0.0016","26.904","0.004","88.5","0.004","86.731","0.004","75.421","0.004","2336.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N5 Pt S4 -","- C21 H14 N5 Pt S4 -","- C84 H56 N20 Pt4 S16 -","4","2","","Ning, Wei-Hua; Chen, Xuan-Rong; Liu, Jian-Lan; Yang, Hao; Ren, Xiao-Ming","Two segregated columnar stack platinum-bis-dithiolene molecule solids showing spin-Peierls-type transition above room temperature.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2997","3004","10.1039/c3dt52757c","","","0.71073","MoKα","","0.1495","0.1286","","","0.3326","0.34","","","","","","1.001","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028443","31.393","0.001","31.393","0.001","10.6224","0.0007","90","","90","","90","","10468.6","0.8","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","bis[2,3,9,10,16,17,23,24-octa-phenylphthalocyanine] lutetium","","- C260 H497 Lu N16 O100.5 -","- C160 H96 Lu N16 O0.5 -","- C320 H192 Lu2 N32 O -","2","","","Dubinina, Tatiana V.; Paramonova, Kseniya V.; Trashin, Stanislav A.; Borisova, Nataliya E.; Tomilova, Larisa G.; Zefirov, Nikolay S.","Novel near-IR absorbing phenyl-substituted phthalo- and naphthalocyanine complexes of lanthanide(iii): synthesis and spectral and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2799","2809","10.1039/c3dt52726c","","","0.71073","MoKα","","0.0699","0.0501","","","0.1254","0.1327","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028444","18.5823","0.0018","18.5823","0.0018","18.5823","0.0018","90","","90","","90","","6416.5","1.1","100","1","100","1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C22 H48 Cl4 N6 Ni -","- C22 H48 Cl4 N6 Ni -","- C176 H384 Cl32 N48 Ni8 -","8","0.333333","","Gutschank, Benjamin; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph","Methanetrisamidines in coordination chemistry - syntheses, structures and CH-NH tautomerism.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2907","2914","10.1039/c3dt53261e","","","0.71073","MoKα","","0.0534","0.0296","","","0.0665","0.0813","","","","","","1.137","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028445","9.8688","0.0003","25.3571","0.0007","14.0716","0.0004","90","","94.159","0.001","90","","3512.06","0.18","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25.42 H52.88 Cl2 Cu2 N6 O0.86 -","- C25.392 H52.784 Cl2 Cu2 N6 O0.848 -","- C101.568 H211.136 Cl8 Cu8 N24 O3.392 -","4","1","","Gutschank, Benjamin; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph","Methanetrisamidines in coordination chemistry - syntheses, structures and CH-NH tautomerism.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2907","2914","10.1039/c3dt53261e","","","0.71073","MoKα","","0.0625","0.0497","","","0.1482","0.156","","","","","","1.082","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028446","24.6646","0.0014","14.2926","0.0007","11.5541","0.0007","90","","90","","90","","4073.1","0.4","180","1","180","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H42 Cr N6 O4 -","- C47 H42 Cr N6 O4 -","- C188 H168 Cr4 N24 O16 -","4","1","","Gutschank, Benjamin; Schulz, Stephan; Bläser, Dieter; Wölper, Christoph","Methanetrisamidines in coordination chemistry - syntheses, structures and CH-NH tautomerism.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2907","2914","10.1039/c3dt53261e","","","0.71073","MoKα","","0.086","0.0443","","","0.0839","0.0961","","","","","","1.01","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028447","18.439","0.004","21.149","0.004","20.707","0.004","90","","98.02","0.03","90","","7996","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 N2 P2 Pd2 S2 -","- C46 H36 N2 P2 Pd2 S2 -","- C368 H288 N16 P16 Pd16 S16 -","8","2","","Ibáñez, Susana; Vrečko, Doris Nena; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Ubeda, Maangeles","Further orthometalated dinuclear palladium(iii) compounds with bridging N,S-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2961","2970","10.1039/c3dt52717d","","","0.71073","MoKα","","0.0524","0.034","","","0.0868","0.1015","","","","","","1.081","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028448","18.205","0.0005","12.988","0.0004","22.18","0.0005","90","","104.987","0.0015","90","","5066","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H42 Cl2 N2 O3 P2 Pd2 S2 -","- C49 H42 Cl2 N2 O3 P2 Pd2 S2 -","- C196 H168 Cl8 N8 O12 P8 Pd8 S8 -","4","1","","Ibáñez, Susana; Vrečko, Doris Nena; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Ubeda, Maangeles","Further orthometalated dinuclear palladium(iii) compounds with bridging N,S-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2961","2970","10.1039/c3dt52717d","","","0.71073","MoKα","","0.0704","0.0518","","","0.1546","0.1702","","","","","","1.07","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028449","14.032","0.003","20.2","0.004","18.761","0.004","90","","98.03","0.03","90","","5265.6","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H40 N2 P2 Pd2 S2 -","- C54 H40 N2 P2 Pd2 S2 -","- C216 H160 N8 P8 Pd8 S8 -","4","1","","Ibáñez, Susana; Vrečko, Doris Nena; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Ubeda, Maangeles","Further orthometalated dinuclear palladium(iii) compounds with bridging N,S-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2961","2970","10.1039/c3dt52717d","","","0.71073","MoKα","","0.0689","0.0432","","","0.1112","0.1248","","","","","","1.061","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028450","10.232","0.0004","12.848","0.0004","35.262","0.0011","90","","94.42","0.0013","90","","4621.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 Cl4 N4 P2 Pd2 S2 -","- C46 H38 Cl4 N4 P2 Pd2 S2 -","- C184 H152 Cl16 N16 P8 Pd8 S8 -","4","1","","Ibáñez, Susana; Vrečko, Doris Nena; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Ubeda, Maangeles","Further orthometalated dinuclear palladium(iii) compounds with bridging N,S-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2961","2970","10.1039/c3dt52717d","","","0.71073","MoKα","","0.1215","0.0558","","","0.1248","0.1678","","","","","","1.014","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028451","11.015","0.0004","11.799","0.0005","18.904","0.0007","84.093","0.0017","74.77","0.0018","64.974","0.0019","2147.93","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H40 Cl2 N4 P2 Pd2 S2 -","- C45 H40 Cl2 N4 P2 Pd2 S2 -","- C90 H80 Cl4 N8 P4 Pd4 S4 -","2","1","","Ibáñez, Susana; Vrečko, Doris Nena; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Ubeda, Maangeles","Further orthometalated dinuclear palladium(iii) compounds with bridging N,S-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2961","2970","10.1039/c3dt52717d","","","0.71073","MoKα","","0.0841","0.061","","","0.1559","0.1699","","","","","","1.051","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028452","10.47","0.0004","11.102","0.0004","20.326","0.0006","104.668","0.0019","90.245","0.0018","97.277","0.0015","2265.61","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H42 N4 P2 Pd2 S2 -","- C52 H42 N4 P2 Pd2 S2 -","- C104 H84 N8 P4 Pd4 S4 -","2","1","","Ibáñez, Susana; Vrečko, Doris Nena; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Ubeda, Maangeles","Further orthometalated dinuclear palladium(iii) compounds with bridging N,S-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2961","2970","10.1039/c3dt52717d","","","0.71073","MoKα","","0.0538","0.0394","","","0.1078","0.12","","","","","","1.035","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028453","10.231","0.0005","12.569","0.0006","35.945","0.0016","90","","94.459","0.0018","90","","4608.3","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cl4 N8 P2 Pd2 S2 -","- C42 H42 Cl4 N8 P2 Pd2 S2 -","- C168 H168 Cl16 N32 P8 Pd8 S8 -","4","1","","Ibáñez, Susana; Vrečko, Doris Nena; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Ubeda, Maangeles","Further orthometalated dinuclear palladium(iii) compounds with bridging N,S-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2961","2970","10.1039/c3dt52717d","","","0.71073","MoKα","","0.1372","0.0674","","","0.1709","0.2299","","","","","","0.99","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028454","12.375","0.0006","13.111","0.0005","16.183","0.0007","82.393","0.002","87.808","0.002","73.407","0.003","2494.18","0.19","293","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H44 Cl8 N8 P2 Pd2 S2 -","- C43 H44 Cl8 N8 P2 Pd2 S2 -","- C86 H88 Cl16 N16 P4 Pd4 S4 -","2","1","","Ibáñez, Susana; Vrečko, Doris Nena; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Ubeda, Maangeles","Further orthometalated dinuclear palladium(iii) compounds with bridging N,S-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2961","2970","10.1039/c3dt52717d","","","0.71073","MoKα","","0.1046","0.0494","","","0.1214","0.1566","","","","","","1.052","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028455","25.3159","0.0008","13.4971","0.0003","24.9443","0.0009","90","","90.2","","90","","8523.2","0.5","102","2","102","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H140 Cr Mo6 N5 O26 -","- C64 H140 Cr Mo6 N5 O26 -","- C256 H560 Cr4 Mo24 N20 O104 -","4","1","","Zhang, Jiangwei; Huang, Yichao; Zhang, Jin; She, Shan; Hao, Jian; Wei, Yongge","A direct anchoring of Anderson-type polyoxometalates in aqueous media with tripodal ligands especially containing the carboxyl group.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2722","2725","10.1039/c3dt53034e","","","0.71073","MoKα","","0.0498","0.0405","","","0.0806","0.0887","","","","","","1.088","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028456","31.4877","0.0018","14.4928","0.0005","21.0381","0.0011","90","","122.954","0.008","90","","8056","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H129 Cr Mo6 N4 O27 -","- C61 H121.414 Cr Mo6 N4 O27 -","- C244 H485.656 Cr4 Mo24 N16 O108 -","4","0.5","","Zhang, Jiangwei; Huang, Yichao; Zhang, Jin; She, Shan; Hao, Jian; Wei, Yongge","A direct anchoring of Anderson-type polyoxometalates in aqueous media with tripodal ligands especially containing the carboxyl group.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2722","2725","10.1039/c3dt53034e","","","0.71073","MoKα","","0.0542","0.0382","","","0.0725","0.0791","","","","","","1.09","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028457","11.3563","0.0006","10.9306","0.0005","11.7567","0.0005","90","","100.137","0.004","90","","1436.59","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cr H24 Mo6 N3 O27 -","- Cr H24 Mo6 N6 O30 -","- Cr2 H48 Mo12 N12 O60 -","2","0.5","","Zhang, Jiangwei; Huang, Yichao; Zhang, Jin; She, Shan; Hao, Jian; Wei, Yongge","A direct anchoring of Anderson-type polyoxometalates in aqueous media with tripodal ligands especially containing the carboxyl group.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2722","2725","10.1039/c3dt53034e","","","0.71073","MoKα","","0.0597","0.0513","","","0.1017","0.1096","","","","","","1.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028458","10.42","0.0003","11.6201","0.0003","14.6854","0.0003","108.477","0.002","90.483","0.002","116.294","0.001","1488.64","0.07","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H40 F6 Ir N4 P -","- C30 H40 F6 Ir N4 P -","- C60 H80 F12 Ir2 N8 P2 -","2","2","","Kariuki, Benson M.; Platts, James A.; Newman, Paul D.","It's all about Me: methyl-induced control of coordination stereochemistry by a flexible tridentate N,C,N' ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2971","2978","10.1039/c3dt52841c","","","0.71073","MoKα","","0.0341","0.0308","","","0.0722","0.0741","","","","","","1.024","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028459","10.3682","0.0002","10.7035","0.0002","14.4653","0.0002","106.24","0.001","96.264","0.001","90.771","0.001","1530.42","0.05","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H40 F6 Ir N4 P -","- C30 H40 F6 Ir N4 P -","- C60 H80 F12 Ir2 N8 P2 -","2","2","","Kariuki, Benson M.; Platts, James A.; Newman, Paul D.","It's all about Me: methyl-induced control of coordination stereochemistry by a flexible tridentate N,C,N' ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2971","2978","10.1039/c3dt52841c","","","0.71073","MoKα","","0.0273","0.0258","","","0.0604","0.0614","","","","","","1.046","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028460","8.6919","0.0002","17.362","0.0006","16.9847","0.0005","90","","93.288","0.002","90","","2558.92","0.13","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 F6 N3 O P -","- C24 H32 F6 N3 O P -","- C96 H128 F24 N12 O4 P4 -","4","2","","Kariuki, Benson M.; Platts, James A.; Newman, Paul D.","It's all about Me: methyl-induced control of coordination stereochemistry by a flexible tridentate N,C,N' ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2971","2978","10.1039/c3dt52841c","","","0.71073","MoKα","","0.076","0.0594","","","0.1247","0.135","","","","","","1.054","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028461","10.6014","0.0008","10.6656","0.0008","15.898","0.002","104.972","0.009","105","0.009","91.803","0.006","1668.1","0.3","289.96","0.1","289.96","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H34 N6 O5 Zn -","- C37 H34 N6 O5 Zn -","- C74 H68 N12 O10 Zn2 -","2","1","","Zhang, Shou-Ting; Li, Tian-Rong; Wang, Bao-Dui; Yang, Zheng-Yin; Liu, Jian; Wang, Zhi-Yi; Dong, Wen-Kui","A new cyclic supramolecular Zn(ii) complex derived from a N2O2 oxime chelate ligand with luminescence mechanochromism.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2713","2717","10.1039/c3dt52340c","","","0.7107","MoKα","","0.052","0.0399","","","0.0768","0.0849","","","","","","1.071","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028462","7.19959","0.00018","21.7936","0.0005","10.1893","0.0002","90","","90.215","0.002","90","","1598.74","0.06","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N3 O S -","- C18 H19 N3 O S -","- C72 H76 N12 O4 S4 -","4","1","","Patil, Rahul; Moirangthem, Anuradha; Butcher, Ray; Singh, Narinder; Basu, Anupam; Tayade, Kundan; Fegade, Umesh; Hundiwale, Dilip; Kuwar, Anil","Al(3+) selective colorimetric and fluorescent red shifting chemosensor: application in living cell imaging.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2895","2899","10.1039/c3dt52770k","","","1.54184","CuKα","","0.0414","0.0387","","","0.0993","0.1022","","","","","","1.056","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028463","8.4357","0.0004","10.0451","0.0004","17.6088","0.0007","88.602","0.002","80.783","0.002","86.31","0.002","1469.66","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H47 P Ru S3 -","- C29 H47 P Ru S3 -","- C58 H94 P2 Ru2 S6 -","2","1","","McKinty, Adam M.; Stephan, Douglas W.","A facile route to Ru-alkylidenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2710","2712","10.1039/c3dt53525h","","","0.71073","MoKα","","0.0258","0.0216","","","0.0521","0.0538","","","","","","1.022","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028464","10.4646","0.0007","18.4403","0.0012","17.674","0.0011","90","","94.848","0.002","90","","3398.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 O P Ru S2 -","- C37 H47 O P Ru S2 -","- C148 H188 O4 P4 Ru4 S8 -","4","1","","McKinty, Adam M.; Stephan, Douglas W.","A facile route to Ru-alkylidenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2710","2712","10.1039/c3dt53525h","","","0.71073","MoKα","","0.0596","0.0398","","","0.0873","0.0958","","","","","","0.983","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028465","11.0572","0.001","26.702","0.002","12.1075","0.0011","90","","114.176","0.003","90","","3261.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Cl2 N2 Ru S3 -","- C33 H42 Cl2 N2 Ru S3 -","- C132 H168 Cl8 N8 Ru4 S12 -","4","1","","McKinty, Adam M.; Stephan, Douglas W.","A facile route to Ru-alkylidenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2710","2712","10.1039/c3dt53525h","","","0.71073","MoKα","","0.0748","0.0616","","","0.1498","0.1571","","","","","","1.123","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028466","12.9315","0.0015","14.2046","0.0012","11.3055","0.0013","90","","113.218","0.009","90","","1908.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N7 Ni O2 -","- C18 H21 N7 Ni O2 -","- C72 H84 N28 Ni4 O8 -","4","1","","Das, Mithun; Chatterjee, Sudipta; Harms, Klaus; Mondal, Tapan Kumar; Chattopadhyay, Shouvik","Formation of bis(μ-tetrazolato)dinickel(ii) complexes with N,N,O-donor Schiff bases via in situ 1,3-dipolar cyclo-additions: isolation of a novel bi-cyclic trinuclear nickel(ii)-sodium(i)-nickel(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2936","2947","10.1039/c3dt52796d","","","0.71073","MoKα","","0.0707","0.0583","","","0.1444","0.1499","","","","","","1.077","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028467","10.8601","0.0003","20.9255","0.0005","22.4384","0.0006","90","","95.719","0.001","90","","5073.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Cl N14 Na Ni2 O9 -","- C34 H40 Cl N14 Na Ni2 O9 -","- C136 H160 Cl4 N56 Na4 Ni8 O36 -","4","1","","Das, Mithun; Chatterjee, Sudipta; Harms, Klaus; Mondal, Tapan Kumar; Chattopadhyay, Shouvik","Formation of bis(μ-tetrazolato)dinickel(ii) complexes with N,N,O-donor Schiff bases via in situ 1,3-dipolar cyclo-additions: isolation of a novel bi-cyclic trinuclear nickel(ii)-sodium(i)-nickel(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2936","2947","10.1039/c3dt52796d","","","0.71073","MoKα","","0.072","0.0495","","","0.1414","0.149","","","","","","1.058","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028468","9.423","0.0019","24.454","0.005","9.295","0.0019","90","","92.96","0.03","90","","2139","0.8","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cu N5 O6 -","- C23 H17 Cu N5 O6 -","- C92 H68 Cu4 N20 O24 -","4","1","","Li, Mei-Jin; Lan, Tao-Yu; Cao, Xiu-Hui; Yang, Huang-Hao; Shi, Yupeng; Yi, Changqing; Chen, Guo-Nan","Synthesis, characterization, DNA binding, cleavage activity and cytotoxicity of copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2789","2798","10.1039/c3dt52978a","","","0.75","synchrotron","","0.045","0.0383","","","0.1154","0.1202","","","","","","1.012","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028469","8.495","0.002","9.358","0.003","17.422","0.005","91.295","0.006","96.015","0.006","102.204","0.006","1344.8","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 Cl Cu N6 O11 -","- C24 H21 Cl Cu N6 O11 -","- C48 H42 Cl2 Cu2 N12 O22 -","2","1","","Li, Mei-Jin; Lan, Tao-Yu; Cao, Xiu-Hui; Yang, Huang-Hao; Shi, Yupeng; Yi, Changqing; Chen, Guo-Nan","Synthesis, characterization, DNA binding, cleavage activity and cytotoxicity of copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2789","2798","10.1039/c3dt52978a","","","0.71073","MoKα","","0.0979","0.0764","","","0.1742","0.1874","","","","","","1.041","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028470","13.9436","0.0013","15.6575","0.0014","19.2277","0.0018","99.241","0.004","105.189","0.004","103.438","0.004","3829","0.6","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H58 Cl N2 P Si Sn -","- C33 H58 Cl N2 P Si Sn -","- C132 H232 Cl4 N8 P4 Si4 Sn4 -","4","2","","Kocsor, T.-G.; Nemes, G.; Saffon, N.; Mallet-Ladeira, S; Madec, D.; Castel, A.; Escudié, J","N-heterocyclic carbene stabilized phosphaalkenyl(chloro)stannylene.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2718","2721","10.1039/c3dt53333f","","","0.71073","MoKα","","0.0914","0.0706","","","0.1632","0.1749","","","","","","1.053","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028471","20.3176","0.0012","30.5474","0.0016","17.684","0.001","90","","122.067","0.002","90","","9301","0.9","193","2","193","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C90 H138 Au3 P3 Si3 -","- C90 H138 Au3 P3 Si3 -","- C360 H552 Au12 P12 Si12 -","4","1","","Kocsor, T.-G.; Nemes, G.; Saffon, N.; Mallet-Ladeira, S; Madec, D.; Castel, A.; Escudié, J","N-heterocyclic carbene stabilized phosphaalkenyl(chloro)stannylene.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2718","2721","10.1039/c3dt53333f","","x-ray","0.71073","MoKα","","0.0484","0.0352","","","0.0723","0.0764","","","","","","0.999","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028472","11.744","0.004","12.376","0.004","18.533","0.006","99.15","0.007","102.147","0.007","98.922","0.006","2549.7","1.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Ce Li O6 Si4 -","- C40 H78 Ce Li O6 Si4 -","- C80 H156 Ce2 Li2 O12 Si8 -","2","1","","Le Roy, Jennifer J.; Korobkov, Ilia; Kim, Jee Eon; Schelter, Eric J.; Murugesu, Muralee","Structural and magnetic conformation of a cerocene [Ce(COT'')2](-) exhibiting a uniconfigurational f(1) ground state and slow-magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2737","2740","10.1039/c3dt53280a","","","0.71073","MoKα","","0.053","0.0362","","","0.0757","0.0819","","","","","","1.023","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028473","10.1789","0.0004","16.564","0.0007","23.5952","0.0008","90","","96.303","0.003","90","","3954.2","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","chisholm1953","","","- C40 H57 Mg N3 O3 -","- C40 H57 Mg N3 O3 -","- C160 H228 Mg4 N12 O12 -","4","1","","Balasanthiran, Vagulejan; Chisholm, Malcolm H.; Choojun, Kittisak; Durr, Christopher B.","Ethyl 2-hydroxy-2-methylpropanoate derivatives of magnesium and zinc. The effect of chelation on the homo- and copolymerization of lactide and ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2781","2788","10.1039/c3dt52553h","","x-ray","0.71073","MoKα","","0.0821","0.0539","","","0.1396","0.1582","","","","","","1.025","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028474","17.5272","0.0004","15.8378","0.0004","18.0904","0.0003","90","","113.847","0.001","90","","4593.04","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","Chisholm 1955","","","- C46 H72 Mg N4 O4 -","- C46 H72 Mg N4 O4 -","- C184 H288 Mg4 N16 O16 -","4","1","","Balasanthiran, Vagulejan; Chisholm, Malcolm H.; Choojun, Kittisak; Durr, Christopher B.","Ethyl 2-hydroxy-2-methylpropanoate derivatives of magnesium and zinc. The effect of chelation on the homo- and copolymerization of lactide and ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2781","2788","10.1039/c3dt52553h","","x-ray","0.71073","MoKα","","0.0767","0.0468","","","0.1179","0.1328","","","","","","1.034","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028475","12.2025","0.0003","12.224","0.0003","14.8497","0.0003","92.36","0.002","91.777","0.002","95.691","0.002","2200.87","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H45 As5 Cl In N9 S17 -","- C9 H45 As5 Cl In N9 S17 -","- C18 H90 As10 Cl2 In2 N18 S34 -","2","1","","Du, Ke-Zhao; Feng, Mei-Ling; Qi, Xing-Hui; Ma, Zu-Ju; Li, Long-Hua; Li, Jian-Rong; Du, Cheng-Feng; Zou, Guo-Dong; Huang, Xiao-Ying","(enH2)4.5[In(As(V)S4)3][As2(III)(μ-S2)S3]Cl and (enH2)MnAs(III)As(V)S6: two thioarsenates(iii, v) with mixed-valent optical properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2733","2736","10.1039/c3dt53048e","","","0.71073","MoKα","","0.0434","0.0326","","","0.0638","0.0708","","","","","","1.002","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028476","7.946","0.0006","9.1633","0.0004","17.5871","0.0008","90","","92.494","0.006","90","","1279.33","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H10 As2 Mn N2 S6 -","- C2 H10 As2 Mn N2 S6 -","- C8 H40 As8 Mn4 N8 S24 -","4","1","","Du, Ke-Zhao; Feng, Mei-Ling; Qi, Xing-Hui; Ma, Zu-Ju; Li, Long-Hua; Li, Jian-Rong; Du, Cheng-Feng; Zou, Guo-Dong; Huang, Xiao-Ying","(enH2)4.5[In(As(V)S4)3][As2(III)(μ-S2)S3]Cl and (enH2)MnAs(III)As(V)S6: two thioarsenates(iii, v) with mixed-valent optical properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2733","2736","10.1039/c3dt53048e","","","0.71073","MoKα","","0.0823","0.0518","","","0.1143","0.1319","","","","","","1.008","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028477","16.4916","0.0014","16.389","0.0014","28.717","0.002","89.854","0.002","97.37","0.002","107.859","0.002","7321.1","1","90","2","90","","","","","","","","","5","P -1","-P 1","2","","","","- C81.2 H206 Mn O78.6 Ti28 -","- C81.2 H204 Mn O78.6 Ti28 -","- C162.4 H408 Mn2 O157.2 Ti56 -","2","1","","Chen, Yang; Trzop, Elzbieta; Makal, Anna; Chen, Yu-Sheng; Coppens, Philip","A novel manganese-doped large polyoxotitanate nanocluster.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3839","3841","10.1039/c3dt53416b","","","0.71073","MoKα","","0.0958","0.0702","","","0.1572","0.1704","","","","","","1.055","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028478","13.3757","0.0008","11.6597","0.0006","16.498","0.0009","90","","109.092","0.003","90","","2431.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 B O2 -","- C29 H33 B O2 -","- C116 H132 B4 O8 -","4","1","","Kumar, George Rajendra; Thilagar, Pakkirisamy","Triarylborane conjugated acacH ligands and their BF2 complexes: facile synthesis and intriguing optical properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3871","3879","10.1039/c3dt52768a","","","0.71073","MoKα","","0.094","0.0515","","","0.1124","0.1317","","","","","","1.032","","","","has coordinates","209454","2020-10-21","18:00:00",""
"7028479","8.714","0.002","15.194","0.004","23.608","0.006","90","","90","","90","","3125.7","1.4","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 B2 F2 O2 -","- C35 H44 B2 F2 O2 -","- C140 H176 B8 F8 O8 -","4","1","","Kumar, George Rajendra; Thilagar, Pakkirisamy","Triarylborane conjugated acacH ligands and their BF2 complexes: facile synthesis and intriguing optical properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3871","3879","10.1039/c3dt52768a","","","0.71073","MoKα","","0.0683","0.0666","","","0.1949","0.1972","","","","","","1.047","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028480","42.366","0.014","8.6","0.003","15.977","0.005","90","","91.14","0.03","90","","5820","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H40 B2 F2 O2 -","- C33 H40 B2 F2 O2 -","- C264 H320 B16 F16 O16 -","8","1","","Kumar, George Rajendra; Thilagar, Pakkirisamy","Triarylborane conjugated acacH ligands and their BF2 complexes: facile synthesis and intriguing optical properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3871","3879","10.1039/c3dt52768a","","","0.71073","MoKα","","0.1259","0.0681","","","0.1482","0.1693","","","","","","1.031","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028481","17.6845","0.0007","17.6845","0.0007","12.6644","0.0009","90","","90","","90","","3960.7","0.4","293","2","293","2","","","","","","","","7","P 43","P 4cw","78","","","","- C38 H29 F12 N7 O P2 Ru -","- C38 H29 F12 N7 O P2 Ru -","- C152 H116 F48 N28 O4 P8 Ru4 -","4","1","","Lam, P.-L.; Lu, G.-L.; Hon, K.-M.; Lee, K.-W.; Ho, C.-L.; Wang, X.; Tang, J. C.-O.; Lam, K.-H.; Wong, R. S.-M.; Kok, S. H.-L.; Bian, Z.-X.; Li, H.; Lee, K. K.-H.; Gambari, R.; Chui, C.-H.; Wong, W.-Y.","Development of ruthenium(ii) complexes as topical antibiotics against methicillin resistant Staphylococcus aureus.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3949","3957","10.1039/c3dt52879k","","","0.71073","MoKα","","0.1239","0.0581","","","0.1314","0.1618","","","","","","0.998","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028482","12.8267","0.0007","12.4005","0.0007","14.4996","0.0008","90","","95.784","0.001","90","","2294.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Co N2 O4 -","- C28 H24 Co N2 O4 -","- C112 H96 Co4 N8 O16 -","4","1","","Gong, Dirong; Wang, Baolin; Jia, Xiaoyu; Zhang, Xuequan","The enhanced catalytic performance of cobalt catalysts towards butadiene polymerization by introducing a labile donor in a salen ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4169","4178","10.1039/c3dt52708e","","","0.71073","MoKα","","0.0542","0.0355","","","0.0833","0.0911","","","","","","1.02","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028483","15.7846","0.0009","16.9833","0.001","19.7804","0.0011","90","","112.268","0.001","90","","4907.2","0.5","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 Co N4 O2 -","- C48 H54 Co N4 O2 -","- C192 H216 Co4 N16 O8 -","4","1","","Gong, Dirong; Wang, Baolin; Jia, Xiaoyu; Zhang, Xuequan","The enhanced catalytic performance of cobalt catalysts towards butadiene polymerization by introducing a labile donor in a salen ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4169","4178","10.1039/c3dt52708e","","","0.71073","MoKα","","0.0802","0.0623","","","0.1706","0.1783","","","","","","1.099","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028484","32.1306","0.0004","32.1306","0.0004","7.388","0.0001","90","","90","","120","","6605.34","0.15","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C33 H42 Cl6 N6 O6 Zn3 -","- C33 H42 Cl6 N6 O6 Zn3 -","- C198 H252 Cl36 N36 O36 Zn18 -","6","1","","Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Halogen effects on photoluminescence and catalytic properties: a series of spatially arranged trimetallic zinc(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3842","3849","10.1039/c3dt53137f","","","0.71073","MoKα","","0.0585","0.0448","","","0.0997","0.1045","","","","","","1.064","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028485","31.542","0.0003","31.542","0.0003","7.6862","0.0001","90","","90","","120","","6622.48","0.12","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C33 H42 Br6 N6 O6 Zn3 -","- C33 H42 Br6 N6 O6 Zn3 -","- C198 H252 Br36 N36 O36 Zn18 -","6","1","","Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Halogen effects on photoluminescence and catalytic properties: a series of spatially arranged trimetallic zinc(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3842","3849","10.1039/c3dt53137f","","","0.71073","MoKα","","0.0558","0.0419","","","0.0841","0.089","","","","","","1.115","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028486","31.9496","0.0002","31.9496","0.0002","8.0211","0.0001","90","","90","","120","","7090.8","0.11","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C33 H42 I6 N6 O6 Zn3 -","- C33 H42 I6 N6 O6 Zn3 -","- C198 H252 I36 N36 O36 Zn18 -","6","1","","Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Halogen effects on photoluminescence and catalytic properties: a series of spatially arranged trimetallic zinc(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3842","3849","10.1039/c3dt53137f","","","0.71073","MoKα","","0.0633","0.0529","","","0.0895","0.0923","","","","","","1.188","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028487","12.035","0.002","19.525","0.004","15.481","0.002","90","","108.034","0.012","90","","3459.1","1","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)-6-methylpyrimidine] iron(II) ditetrafluoroborate hydrate","","- C30 H30.22 B2 F8 Fe N10 O1.11 -","- C30 H30 B2 F8 Fe N10 O0.105 -","- C120 H120 B8 F32 Fe4 N40 O0.42 -","4","1","","Bushuev, Mark B.; Daletsky, Vasiliy A.; Pishchur, Denis P.; Gatilov, Yuri V.; Korolkov, Ilya V.; Nikolaenkova, Elena B.; Krivopalov, Viktor P.","Unprecedented bistability domain and interplay between spin crossover and polymorphism in a mononuclear iron(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3906","3910","10.1039/c3dt53440e","","","0.71073","MoKα","","0.1964","0.0692","","","0.1435","0.2104","","","","","","0.983","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028488","24.6656","0.0014","24.6656","0.0014","16.6985","0.0009","90","","90","","120","","8798.2","0.9","295","","295","","","","","","","","","5","P -3","-P 3","147","","","","- C46 H69 Cu6 N7 O18 -","- C46 H63 Cu6 N7 O18 -","- C276 H378 Cu36 N42 O108 -","6","1","","Ghosh, Aloke Kumar; Pait, Moumita; Clérac, Rodolphe; Mathonière, Corine; Bertolasi, Valerio; Bauzá, Antonio; Frontera, Antonio; Pramanik, Kausikisankar; Ray, Debashis","A dodecanuclear copper(ii) cage self-assembled from six dicopper building units.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4076","4085","10.1039/c3dt53144a","","","0.71073","MoKα","","0.0943","0.06","","","0.1589","0.1764","","","","","","1.043","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028489","8.8914","0.0014","10.6839","0.0018","19.448","0.003","77.252","0.013","86.528","0.013","71.081","0.012","1704.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","{[Mn(bipy)2(SCN)][Mn(bipy)](AsS4)}2","{[Mn(bipy)2(SCN)][Mn(bipy)](AsS4)}2","","- C62 H48 As2 Mn4 N14 S10 -","- C62 H48 As2 Mn4 N14 S10 -","- C62 H48 As2 Mn4 N14 S10 -","1","0.5","","Liu, Guang-Ning; Guo, Guo-Cong; Wang, Ming-Sheng; Huang, Jin-Shun","Novel thioarsenates {[Mn(2,2'-bipy)2(SCN)][Mn(2,2'-bipy)](As(V)S4)}2 and {[Mn(2,2'-bipy)2(SCN)]2[As(III)2(S2)2S2]}: introducing an anionic second ligand to modify Mn(II) complex cations of 2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3931","3938","10.1039/c3dt53515k","","","0.71073","MoKα","","0.1147","0.0626","","","0.1416","0.1853","","","","","","1.004","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028490","8.7703","0.0012","10.0337","0.0013","13.5967","0.0017","81.461","0.01","89.595","0.011","87.716","0.011","1182.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","{[Mn(2-2'bipy)2(SCN)]2(AsIII2S6)}","{[Mn(2-2'bipy)2(SCN)]2(AsIII2S6)}","","- C42 H32 As2 Mn2 N10 S8 -","- C42 H32 As2 Mn2 N10 S8 -","- C42 H32 As2 Mn2 N10 S8 -","1","0.5","","Liu, Guang-Ning; Guo, Guo-Cong; Wang, Ming-Sheng; Huang, Jin-Shun","Novel thioarsenates {[Mn(2,2'-bipy)2(SCN)][Mn(2,2'-bipy)](As(V)S4)}2 and {[Mn(2,2'-bipy)2(SCN)]2[As(III)2(S2)2S2]}: introducing an anionic second ligand to modify Mn(II) complex cations of 2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3931","3938","10.1039/c3dt53515k","","","0.71073","MoKα","","0.0702","0.0478","","","0.108","0.1132","","","","","","1.008","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028491","15.5811","0.0002","14.2098","0.0002","22.6877","0.0003","90","","90","","90","","5023.15","0.12","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H27 Cl O8 Ru S4 -","- C21 H27 Cl O8 Ru S4 -","- C168 H216 Cl8 O64 Ru8 S32 -","8","1","","Agarwala, Hemlata; Scherer, Thomas Michael; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Bidirectional non-innocence of the β-diketonato ligand 9-oxidophenalenone (L(-)) in [Ru([9]aneS3)(L)(dmso)](n), [9]aneS3 = 1,4,7-trithiacyclononane.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3939","3948","10.1039/c3dt53069h","","","0.71073","MoKα","","0.0445","0.0418","","","0.1062","0.1093","","","","","","1.033","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028492","11.227","0.002","13.259","0.003","17.423","0.004","90","","100.17","0.03","90","","2552.8","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H74 Cl2 N0 O6 P6 Ru2 -","- C36 H74 Cl2 O6 P6 Ru2 -","- C72 H148 Cl4 O12 P12 Ru4 -","2","0.5","","Tian, Li Yan; Liu, Yuan Mei; Tian, Guang-Xuan; Wu, Xiang Hua; Li, Zhen; Kou, Jun-Feng; Ou, Ya-Ping; Liu, Sheng Hua; Fu, Wen-Fu","Bimetallic ruthenium complexes bridged by divinylphenylene bearing oligo(ethylene glycol)methylether: synthesis, (spectro)electrochemistry and the lithium cation effect.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4093","4101","10.1039/c3dt52677a","","","0.71073","MoKα","","0.0406","0.0308","","","0.0668","0.0752","","","","","","1.07","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028493","14.56","0.003","21.265","0.004","15.947","0.003","90","","101.77","0.03","90","","4833.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H66 Cl2 O4 P6 Ru2 -","- C32 H66 Cl2 O4 P6 Ru2 -","- C128 H264 Cl8 O16 P24 Ru8 -","4","1","","Tian, Li Yan; Liu, Yuan Mei; Tian, Guang-Xuan; Wu, Xiang Hua; Li, Zhen; Kou, Jun-Feng; Ou, Ya-Ping; Liu, Sheng Hua; Fu, Wen-Fu","Bimetallic ruthenium complexes bridged by divinylphenylene bearing oligo(ethylene glycol)methylether: synthesis, (spectro)electrochemistry and the lithium cation effect.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4093","4101","10.1039/c3dt52677a","","","0.71073","MoKα","","0.1084","0.0579","","","0.1552","0.1906","","","","","","1.053","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028494","13.0794","0.0004","19.8716","0.0006","21.3258","0.0006","76.506","0.002","84.428","0.002","82.631","0.002","5332.3","0.3","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C6 K7 Na4 O109 P2 Re2 W23 -","- C6 K7 Na4 O109 P2 Re2 W23 -","- C12 K14 Na8 O218 P4 Re4 W46 -","2","1","","Zhao, Chongchao; Glass, Elliot N.; Sumliner, Jordan M.; Bacsa, John; Kim, Daniel Taehyun; Guo, Weiwei; Hill, Craig L.","Complexation of metal carbonyl units with [α-PW11O39](7-) and [α2-P2W17O61](10-): insights into the chiral ""twisted-sandwich"" dimeric structures.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4040","4047","10.1039/c3dt53374c","","","0.71073","MoKα","","0.0803","0.053","","","0.1166","0.1358","","","","","","1.075","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028495","23.0635","0.0018","26.169","0.0019","38.199","0.003","90","","90","","90","","23055","3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C21 H56 N5 Na2 O89 P2 Re2 W23 -","- C21 H51 N5 Na2 O89 P2 Re2 W23 -","- C168 H408 N40 Na16 O712 P16 Re16 W184 -","8","1","","Zhao, Chongchao; Glass, Elliot N.; Sumliner, Jordan M.; Bacsa, John; Kim, Daniel Taehyun; Guo, Weiwei; Hill, Craig L.","Complexation of metal carbonyl units with [α-PW11O39](7-) and [α2-P2W17O61](10-): insights into the chiral ""twisted-sandwich"" dimeric structures.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4040","4047","10.1039/c3dt53374c","","","0.71073","MoKα","","0.1951","0.1","","","0.2082","0.2679","","","","","","1.056","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028496","57.054","0.008","13.2708","0.0018","36.998","0.005","90","","127.936","0.002","90","","22094","5","173","2","173.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H85 K3 Mn2 N6 O98.5 P2 W23 -","- C24 H60 K3 Mn2 N6 O98.5 P2 W23 -","- C192 H480 K24 Mn16 N48 O788 P16 W184 -","8","1","","Zhao, Chongchao; Glass, Elliot N.; Sumliner, Jordan M.; Bacsa, John; Kim, Daniel Taehyun; Guo, Weiwei; Hill, Craig L.","Complexation of metal carbonyl units with [α-PW11O39](7-) and [α2-P2W17O61](10-): insights into the chiral ""twisted-sandwich"" dimeric structures.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4040","4047","10.1039/c3dt53374c","","","0.71073","MoKα","","0.0502","0.0366","","","0.0798","0.0868","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028497","17.7065","0.0011","33.162","0.002","17.0365","0.001","90","","90.034","0.003","90","","10003.5","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C111 H132 B3 N9 Ni3 O3 S3 -","- C102 H114 B3 N9 Ni3 S3 -","- C408 H456 B12 N36 Ni12 S12 -","4","1","","Feldscher, Bastian; Theil, Hubert; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten","A streamlined synthesis of extended thiophloroglucinol ligands and their trinuclear Ni(II)3 complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4102","4114","10.1039/c3dt53457j","","","1.54178","CuKα","","0.0773","0.0687","","","0.1914","0.1987","","","","","","1.056","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028498","21.4863","0.0017","21.4863","0.0017","27.386","0.003","90","","90","","120","","10949.2","1.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C62 H70 N6 Ni3 O3 S3 -","- C48 H54 N6 Ni3 O3 S3 -","- C288 H324 N36 Ni18 O18 S18 -","6","0.333333","","Feldscher, Bastian; Theil, Hubert; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten","A streamlined synthesis of extended thiophloroglucinol ligands and their trinuclear Ni(II)3 complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4102","4114","10.1039/c3dt53457j","","","0.71073","MoKα","","0.1097","0.069","","","0.1849","0.2093","","","","","","1.046","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028499","12.1982","0.0012","13.1994","0.0015","24.094","0.003","87.884","0.004","83.96","0.004","88.575","0.004","3854.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C73.5 H108 Cl3 N6 Ni3 O4.5 S3 -","- C69 H96 N6 Ni3 O3 S3 -","- C138 H192 N12 Ni6 O6 S6 -","2","1","","Feldscher, Bastian; Theil, Hubert; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten","A streamlined synthesis of extended thiophloroglucinol ligands and their trinuclear Ni(II)3 complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4102","4114","10.1039/c3dt53457j","","","0.71073","MoKα","","0.1005","0.0653","","","0.1611","0.177","","","","","","0.94","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028500","24.7936","0.0005","24.7936","0.0005","89.645","0.003","90","","90","","120","","47724","2","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C70 H100 Cl2 N6 Ni3 O4 S3 -","- C69.5625 H96 Cl1.125 N6 Ni3 O3.3125 S3 -","- C1669.5 H2304 Cl27 N144 Ni72 O79.5 S72 -","24","2.66667","","Feldscher, Bastian; Theil, Hubert; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten","A streamlined synthesis of extended thiophloroglucinol ligands and their trinuclear Ni(II)3 complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4102","4114","10.1039/c3dt53457j","","","1.54178","CuKα","","0.0928","0.0712","","","0.1822","0.1971","","","","","","1.023","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028501","10.898","0.002","12.91","0.003","27.523","0.006","90.069","0.004","98.453","0.004","97.286","0.004","3798.5","1.4","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C36.5 H38 Br Cl F6 Ir N6 O0.5 P -","- C32 H27 Br F6 Ir N6 P -","- C128 H108 Br4 F24 Ir4 N24 P4 -","4","2","","Davies, David L.; Lelj, Francesco; Lowe, Mark P.; Ryder, Karl S.; Singh, Kuldip; Singh, Shalini","Pyridine imines as ligands in luminescent iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4026","4039","10.1039/c3dt52975d","","","0.71073","MoKα","","0.0849","0.0541","","","0.114","0.1208","","","","","","0.902","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7028502","8.7123","0.0017","20.055","0.004","18.908","0.004","90","","92.52","0.004","90","","3300.5","1.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 Br F6 Ir N6 P -","- C34 H31 Br F6 Ir N6 P -","- C136 H124 Br4 F24 Ir4 N24 P4 -","4","1","","Davies, David L.; Lelj, Francesco; Lowe, Mark P.; Ryder, Karl S.; Singh, Kuldip; Singh, Shalini","Pyridine imines as ligands in luminescent iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4026","4039","10.1039/c3dt52975d","","","0.71073","MoKα","","0.0969","0.0497","","","0.0687","0.0793","","","","","","0.79","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7028503","12.112","0.002","17.706","0.003","16.566","0.003","90","","106.849","0.003","90","","3400.2","1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Br Cl2 F6 Ir N6 P -","- C30 H23 Br F6 Ir N6 P -","- C120 H92 Br4 F24 Ir4 N24 P4 -","4","1","","Davies, David L.; Lelj, Francesco; Lowe, Mark P.; Ryder, Karl S.; Singh, Kuldip; Singh, Shalini","Pyridine imines as ligands in luminescent iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4026","4039","10.1039/c3dt52975d","","","0.71073","MoKα","","0.0433","0.0331","","","0.0668","0.0691","","","","","","0.95","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7028504","8.6792","0.0013","13.646","0.002","14.054","0.002","89.021","0.003","82.419","0.003","88.401","0.003","1649.2","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H25 Cl3 F6 Ir N6 P -","- C31 H25 Cl3 F6 Ir N6 P -","- C62 H50 Cl6 F12 Ir2 N12 P2 -","2","1","","Davies, David L.; Lelj, Francesco; Lowe, Mark P.; Ryder, Karl S.; Singh, Kuldip; Singh, Shalini","Pyridine imines as ligands in luminescent iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4026","4039","10.1039/c3dt52975d","","","0.71073","MoKα","","0.0497","0.0387","","","0.0689","0.0718","","","","","","0.922","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028505","9.6561","0.0016","11.621","0.002","15.632","0.003","105.756","0.003","99.89","0.003","99","0.003","1624.5","0.5","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C31 H28 F6 Ir N6 O4 P -","- C31 H24 F6 Ir N6 O2 P -","- C62 H48 F12 Ir2 N12 O4 P2 -","2","2","","Davies, David L.; Lelj, Francesco; Lowe, Mark P.; Ryder, Karl S.; Singh, Kuldip; Singh, Shalini","Pyridine imines as ligands in luminescent iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4026","4039","10.1039/c3dt52975d","","","0.71073","MoKα","","0.0453","0.039","","","0.0785","0.0802","","","","","","0.942","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028506","13.521","0.003","26.046","0.006","8.728","0.002","90","","90","","90","","3073.7","1.2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C28 H28 Cl2 F6 Ir N6 P -","- C28 H28 Cl2 F6 Ir N6 P -","- C112 H112 Cl8 F24 Ir4 N24 P4 -","4","1","","Davies, David L.; Lelj, Francesco; Lowe, Mark P.; Ryder, Karl S.; Singh, Kuldip; Singh, Shalini","Pyridine imines as ligands in luminescent iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4026","4039","10.1039/c3dt52975d","","","0.71073","MoKα","","0.0351","0.0297","","","0.0653","0.0671","","","","","","1.003","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028507","14.172","0.003","15.658","0.003","16.259","0.004","90","","97.643","0.004","90","","3575.9","1.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cl4 F6 Ir N6 O2 P -","- C30 H30 Cl4 F6 Ir N6 O2 P -","- C120 H120 Cl16 F24 Ir4 N24 O8 P4 -","4","1","","Davies, David L.; Lelj, Francesco; Lowe, Mark P.; Ryder, Karl S.; Singh, Kuldip; Singh, Shalini","Pyridine imines as ligands in luminescent iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4026","4039","10.1039/c3dt52975d","","","0.71073","MoKα","","0.1099","0.0647","","","0.1341","0.1489","","","","","","1.023","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028508","8.558","0.0017","18.487","0.004","11.217","0.002","90","","108.06","0.03","90","","1687.2","0.6","96","2","96","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Fe2 N8 O18 -","- C22 H38 Fe2 N8 O18 -","- C44 H76 Fe4 N16 O36 -","2","0.5","","Shin, Jong Won; Bae, Jeong Mi; Kim, Cheal; Min, Kil Sik","Catalysis and molecular magnetism of dinuclear iron(iii) complexes with N-(2-pyridylmethyl)-iminodiethanol/-ate.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3999","4008","10.1039/c3dt53376j","","","0.75","synchrotron","","0.0716","0.0678","","","0.1885","0.1935","","","","","","1.093","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028509","10.541","0.002","8.369","0.0017","13.436","0.003","90","","98.13","0.03","90","","1173.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Fe2 N10 O4 -","- C20 H28 Fe2 N10 O4 -","- C40 H56 Fe4 N20 O8 -","2","0.5","","Shin, Jong Won; Bae, Jeong Mi; Kim, Cheal; Min, Kil Sik","Catalysis and molecular magnetism of dinuclear iron(iii) complexes with N-(2-pyridylmethyl)-iminodiethanol/-ate.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3999","4008","10.1039/c3dt53376j","","","0.65","synchrotron","","0.0325","0.0299","","","0.0882","0.0895","","","","","","1.145","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028510","8.2989","0.0011","12.4402","0.0016","14.7088","0.0019","74.448","0.002","83.939","0.002","85.086","0.002","1452.2","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H28 Br2 N8 O2 S2 Zn -","- C22 H28 Br2 N8 O2 S2 Zn -","- C44 H56 Br4 N16 O4 S4 Zn2 -","2","1","","Ibrahim, Abeer A.; Khaledi, Hamid; Hassandarvish, Pouya; Mohd Ali, Hapipah; Karimian, Hamed","Indole-7-carbaldehyde thiosemicarbazone as a flexidentate ligand toward Zn(II), Cd(II), Pd(II) and Pt(II) ions: cytotoxic and apoptosis-inducing properties of the Pt(II) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3850","3860","10.1039/c3dt53032a","","","0.71073","MoKα","","0.043","0.0322","","","0.0837","0.0881","","","","","","1.05","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028511","14.293","0.007","15.549","0.008","12.519","0.006","90","","91.673","0.009","90","","2781","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cd Cl2 N8 O S2 -","- C21 H24 Cd Cl2 N8 O S2 -","- C84 H96 Cd4 Cl8 N32 O4 S8 -","4","1","","Ibrahim, Abeer A.; Khaledi, Hamid; Hassandarvish, Pouya; Mohd Ali, Hapipah; Karimian, Hamed","Indole-7-carbaldehyde thiosemicarbazone as a flexidentate ligand toward Zn(II), Cd(II), Pd(II) and Pt(II) ions: cytotoxic and apoptosis-inducing properties of the Pt(II) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3850","3860","10.1039/c3dt53032a","","","0.71073","MoKα","","0.0455","0.0292","","","0.0705","0.0815","","","","","","1.013","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028512","12.223","0.007","14.649","0.009","19.869","0.011","83.91","0.03","80.87","0.03","77.1","0.04","3415","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H34 Cd N8 O6 S2 -","- C26 H34 Cd N8 O6 S2 -","- C104 H136 Cd4 N32 O24 S8 -","4","2","","Ibrahim, Abeer A.; Khaledi, Hamid; Hassandarvish, Pouya; Mohd Ali, Hapipah; Karimian, Hamed","Indole-7-carbaldehyde thiosemicarbazone as a flexidentate ligand toward Zn(II), Cd(II), Pd(II) and Pt(II) ions: cytotoxic and apoptosis-inducing properties of the Pt(II) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3850","3860","10.1039/c3dt53032a","","","0.71073","MoKα","","0.1902","0.08","","","0.1848","0.2349","","","","","","0.964","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028513","12.2138","0.0002","11.6637","0.0002","18.0652","0.0003","90","","94.385","0.003","90","","2566","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N8 Pd S2 -","- C20 H18 N8 Pd S2 -","- C80 H72 N32 Pd4 S8 -","4","1","","Ibrahim, Abeer A.; Khaledi, Hamid; Hassandarvish, Pouya; Mohd Ali, Hapipah; Karimian, Hamed","Indole-7-carbaldehyde thiosemicarbazone as a flexidentate ligand toward Zn(II), Cd(II), Pd(II) and Pt(II) ions: cytotoxic and apoptosis-inducing properties of the Pt(II) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3850","3860","10.1039/c3dt53032a","","","0.71073","MoKα","","0.0312","0.0265","","","0.0704","0.0722","","","","","","1.072","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028514","9.6267","0.0005","10.0243","0.0005","15.6913","0.0008","80.642","0.003","87.833","0.003","73.852","0.003","1435.08","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30 N5 O P Pd S -","- C31 H30 N5 O P Pd S -","- C62 H60 N10 O2 P2 Pd2 S2 -","2","1","","Ibrahim, Abeer A.; Khaledi, Hamid; Hassandarvish, Pouya; Mohd Ali, Hapipah; Karimian, Hamed","Indole-7-carbaldehyde thiosemicarbazone as a flexidentate ligand toward Zn(II), Cd(II), Pd(II) and Pt(II) ions: cytotoxic and apoptosis-inducing properties of the Pt(II) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3850","3860","10.1039/c3dt53032a","","","0.71073","MoKα","","0.0223","0.0208","","","0.0526","0.0538","","","","","","1.02","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028515","39.5689","0.0012","39.5689","0.0012","9.2324","0.0003","90","","90","","120","","12518.5","0.7","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C28.75 H26 N4 O0.75 P Pt S -","- C28.75 H26 N4 O0.75 P Pt S -","- C517.5 H468 N72 O13.5 P18 Pt18 S18 -","18","1","","Ibrahim, Abeer A.; Khaledi, Hamid; Hassandarvish, Pouya; Mohd Ali, Hapipah; Karimian, Hamed","Indole-7-carbaldehyde thiosemicarbazone as a flexidentate ligand toward Zn(II), Cd(II), Pd(II) and Pt(II) ions: cytotoxic and apoptosis-inducing properties of the Pt(II) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3850","3860","10.1039/c3dt53032a","","","0.71073","MoKα","","0.0319","0.0248","","","0.0585","0.0618","","","","","","1.044","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028516","13.196","0.004","13.787","0.005","15.404","0.005","90","","90","","90","","2802.5","1.6","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H20 N6 O7 Re2 -","- C26 H20 N6 O7 Re2 -","- C104 H80 N24 O28 Re8 -","4","0.5","","Arroyo, Marta; Gómez-Iglesias, Patricia; Antón, Noelia; García-Rodríguez, Raúl; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.; Miguel, Daniel; Villafañe, Fernando","Homo- and heteropolymetallic 3-(2-pyridyl)pyrazolate manganese and rhenium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4009","4020","10.1039/c3dt53439a","","","0.71073","MoKα","","0.0678","0.0412","","","0.0782","0.0909","","","","","","1.114","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028517","11.4703","0.0011","10.3819","0.0009","20.924","0.002","90","","96.452","0.009","90","","2475.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Li Mn N6 O5 -","- C23 H22 Li Mn N6 O5 -","- C92 H88 Li4 Mn4 N24 O20 -","4","1","","Arroyo, Marta; Gómez-Iglesias, Patricia; Antón, Noelia; García-Rodríguez, Raúl; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.; Miguel, Daniel; Villafañe, Fernando","Homo- and heteropolymetallic 3-(2-pyridyl)pyrazolate manganese and rhenium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4009","4020","10.1039/c3dt53439a","","","0.71073","MoKα","","0.1208","0.0596","","","0.128","0.1597","","","","","","1.028","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028518","15.639","0.006","12.712","0.005","19.58","0.008","90","","92.759","0.007","90","","3888","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 Mn2 N12 Na2 O6 -","- C38 H24 Mn2 N12 Na2 O6 -","- C152 H96 Mn8 N48 Na8 O24 -","4","0.5","","Arroyo, Marta; Gómez-Iglesias, Patricia; Antón, Noelia; García-Rodríguez, Raúl; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.; Miguel, Daniel; Villafañe, Fernando","Homo- and heteropolymetallic 3-(2-pyridyl)pyrazolate manganese and rhenium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4009","4020","10.1039/c3dt53439a","","","0.71073","MoKα","","0.0414","0.0309","","","0.0786","0.0839","","","","","","1.038","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028519","9.6794","0.0009","11.8606","0.001","13.211","0.0008","89.59","0.006","80.34","0.006","77.518","0.007","1459.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H44 K2 Mn2 N12 O9 -","- C47 H44 K2 Mn2 N12 O9 -","- C47 H44 K2 Mn2 N12 O9 -","1","0.5","","Arroyo, Marta; Gómez-Iglesias, Patricia; Antón, Noelia; García-Rodríguez, Raúl; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.; Miguel, Daniel; Villafañe, Fernando","Homo- and heteropolymetallic 3-(2-pyridyl)pyrazolate manganese and rhenium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4009","4020","10.1039/c3dt53439a","","","0.71073","MoKα","","0.1152","0.0922","","","0.2215","0.2303","","","","","","0.944","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028520","19.466","0.004","11.453","0.002","23.586","0.005","90","","101.795","0.005","90","","5147.3","1.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H47 Mn3 N12 O8 -","- C49 H47 Mn3 N12 O8 -","- C196 H188 Mn12 N48 O32 -","4","1","","Arroyo, Marta; Gómez-Iglesias, Patricia; Antón, Noelia; García-Rodríguez, Raúl; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.; Miguel, Daniel; Villafañe, Fernando","Homo- and heteropolymetallic 3-(2-pyridyl)pyrazolate manganese and rhenium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4009","4020","10.1039/c3dt53439a","","","0.71073","MoKα","","0.0733","0.0411","","","0.1007","0.1217","","","","","","0.978","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028521","6.794","0.002","16.68","0.005","17.504","0.005","90","","95.509","0.006","90","","1974.5","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl2 Mn N6 O0.5 -","- C16 H15 Cl2 Mn N6 O0.5 -","- C64 H60 Cl8 Mn4 N24 O2 -","4","1","","Arroyo, Marta; Gómez-Iglesias, Patricia; Antón, Noelia; García-Rodríguez, Raúl; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.; Miguel, Daniel; Villafañe, Fernando","Homo- and heteropolymetallic 3-(2-pyridyl)pyrazolate manganese and rhenium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4009","4020","10.1039/c3dt53439a","","","0.71073","MoKα","","0.0545","0.0432","","","0.1211","0.1274","","","","","","1.116","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028522","8.7982","0.0018","15.754","0.003","17.424","0.004","90","","98.14","0.03","90","","2390.8","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H31 Co I O P3 S -","- C16 H31 Co I O P3 S -","- C64 H124 Co4 I4 O4 P12 S4 -","4","1","","Niu, Qingfen; Sun, Hongjian; Wang, Lin; Hu, Qingping; Li, Xiaoyan","Reactivity of mer-hydrido(2-mercaptobenzoyl)tris(trimethylphosphine)cobalt(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4059","4066","10.1039/c3dt52519h","","","0.71073","MoKα","","0.0286","0.0239","","","0.0626","0.0653","","","","","","1.084","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028523","18.283","0.004","8.5829","0.0017","12.412","0.003","90","","90","","90","","1947.7","0.7","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C14 H22 Co I O2 P2 S -","- C14 H22 Co I O2 P2 S -","- C56 H88 Co4 I4 O8 P8 S4 -","4","1","","Niu, Qingfen; Sun, Hongjian; Wang, Lin; Hu, Qingping; Li, Xiaoyan","Reactivity of mer-hydrido(2-mercaptobenzoyl)tris(trimethylphosphine)cobalt(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4059","4066","10.1039/c3dt52519h","","","0.71073","MoKα","","0.0411","0.0353","","","0.098","0.1042","","","","","","0.863","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028524","8.937","0.008","15.682","0.013","17.238","0.013","90","","113.86","0.04","90","","2209","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 Cl Co O P3 S -","- C16 H31 Cl Co O P3 S -","- C64 H124 Cl4 Co4 O4 P12 S4 -","4","1","","Niu, Qingfen; Sun, Hongjian; Wang, Lin; Hu, Qingping; Li, Xiaoyan","Reactivity of mer-hydrido(2-mercaptobenzoyl)tris(trimethylphosphine)cobalt(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4059","4066","10.1039/c3dt52519h","","","0.71073","MoKα","","0.0861","0.0539","","","0.1502","0.1718","","","","","","1.011","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028525","12.503","0.006","17.273","0.008","13.307","0.006","90","","114.846","0.008","90","","2608","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H33 Co O3 P2 S Si -","- C20 H33 Co O3 P2 S Si -","- C80 H132 Co4 O12 P8 S4 Si4 -","4","1","","Niu, Qingfen; Sun, Hongjian; Wang, Lin; Hu, Qingping; Li, Xiaoyan","Reactivity of mer-hydrido(2-mercaptobenzoyl)tris(trimethylphosphine)cobalt(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4059","4066","10.1039/c3dt52519h","","","0.71073","MoKα","","0.0874","0.0607","","","0.1612","0.1783","","","","","","1.07","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028526","8.859","0.004","15.756","0.007","16.177","0.007","90","","97.46","0.007","90","","2238.9","1.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H31 Br Co O P3 S -","- C16 H31 Br Co O P3 S -","- C64 H124 Br4 Co4 O4 P12 S4 -","4","1","","Niu, Qingfen; Sun, Hongjian; Wang, Lin; Hu, Qingping; Li, Xiaoyan","Reactivity of mer-hydrido(2-mercaptobenzoyl)tris(trimethylphosphine)cobalt(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4059","4066","10.1039/c3dt52519h","","","0.71073","MoKα","","0.0622","0.0358","","","0.0852","0.0951","","","","","","1.003","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028527","22.1396","0.0015","11.6632","0.0008","33.324","0.002","90","","104.066","0.002","90","","8346.9","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H47 O2 P3 Ru -","- C48 H47 O2 P3 Ru -","- C384 H376 O16 P24 Ru8 -","8","1","","Sues, Peter E.; Forbes, Matthew W.; Lough, Alan J.; Morris, Robert H.","Ligand-based molecular recognition and dioxygen splitting: an endo epoxide ending.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4137","4145","10.1039/c3dt53495b","","","0.71073","MoKα","","0.0474","0.035","","","0.0758","0.08","","","","","","1.04","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028528","10.6911","0.0004","12.0014","0.0005","19.0065","0.0008","73.029","0.003","88.592","0.003","70.042","0.003","2184.75","0.16","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H47 P3 Ru S -","- C48 H47 P3 Ru S -","- C96 H94 P6 Ru2 S2 -","2","1","","Sues, Peter E.; Forbes, Matthew W.; Lough, Alan J.; Morris, Robert H.","Ligand-based molecular recognition and dioxygen splitting: an endo epoxide ending.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4137","4145","10.1039/c3dt53495b","","","1.54178","CuKα","","0.0694","0.0556","","","0.1615","0.1713","","","","","","1.147","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028529","9.698","0.005","14.912","0.005","20.185","0.005","106.481","0.005","102.511","0.005","90.017","0.005","2726.7","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H37 B N2 -","- C34 H37 B N2 -","- C136 H148 B4 N8 -","4","2","","Swamy P, Chinna Ayya; Priyanka, Ragam N.; Thilagar, Pakkirisamy","Triarylborane-dipyrromethane conjugates bearing dual receptor sites: the synthesis and evaluation of the anion binding site preference.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4067","4075","10.1039/c3dt52565a","","","0.71073","MoKα","","0.0901","0.0632","","","0.1774","0.1926","","","","","","1.131","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028530","12.2814","0.0005","12.5064","0.0005","31.8402","0.0013","90","","90","","90","","4890.5","0.3","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H51 Cl2 Mn4 N9 Na O13 -","- C40 H51 Cl2 Mn4 N9 Na O13 -","- C160 H204 Cl8 Mn16 N36 Na4 O52 -","4","1","","Song, Ye; Zhang, Guonan; Qin, Xiaoting; Gao, Yanfei; Ding, Shuai; Wang, Yanqin; Du, Chunfang; Liu, Zhiliang","Chiral [NaMn(II)Mn(III)3] and [Na2Mn(II)2Mn(III)6] clusters constructed by chiral multidentate Schiff-base ligands: synthesis, structures, CD spectra and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3880","3887","10.1039/c3dt51874d","","","0.71073","MoKα","","0.044","0.036","","","0.0701","0.0736","","","","","","0.993","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028531","14.179","0.003","26.633","0.005","26.704","0.005","90","","90","","90","","10084","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C71 H100 Cl Mn8 N27 Na2 O31 -","- C71 H100 Cl Mn8 N27 Na2 O31 -","- C284 H400 Cl4 Mn32 N108 Na8 O124 -","4","1","","Song, Ye; Zhang, Guonan; Qin, Xiaoting; Gao, Yanfei; Ding, Shuai; Wang, Yanqin; Du, Chunfang; Liu, Zhiliang","Chiral [NaMn(II)Mn(III)3] and [Na2Mn(II)2Mn(III)6] clusters constructed by chiral multidentate Schiff-base ligands: synthesis, structures, CD spectra and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3880","3887","10.1039/c3dt51874d","","","0.71073","MoKα","","0.0658","0.0635","","","0.187","0.1896","","","","","","1.051","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028532","8.0783","0.0003","11.2416","0.0003","14.5084","0.0005","76.347","0.002","89.396","0.003","76.328","0.002","1242.61","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Cl2 Cu N3 O4 -","- C26 H23 Cl2 Cu N3 O4 -","- C52 H46 Cl4 Cu2 N6 O8 -","2","1","","Ma, Zhen; Wei, Lijuan; Alegria, Elisabete C. B. A.; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis and characterization of copper(ii) 4'-phenyl-terpyridine compounds and catalytic application for aerobic oxidation of benzylic alcohols.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4048","4058","10.1039/c3dt53054j","","","0.71073","MoKα","","0.06","0.0514","","","0.1371","0.1419","","","","","","1.156","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028533","9.7921","0.0008","13.3622","0.0005","15.653","0.0003","102.603","0.002","93.497","0.003","104.137","0.002","1924.03","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Cl2 Cu N3 -","- C21 H15 Cl2 Cu N3 -","- C84 H60 Cl8 Cu4 N12 -","4","2","","Ma, Zhen; Wei, Lijuan; Alegria, Elisabete C. B. A.; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis and characterization of copper(ii) 4'-phenyl-terpyridine compounds and catalytic application for aerobic oxidation of benzylic alcohols.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4048","4058","10.1039/c3dt53054j","","","0.71073","MoKα","","0.0407","0.0324","","","0.0821","0.0856","","","","","","1.059","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7028534","9.9081","0.0004","10.6163","0.0003","13.7652","0.0005","101.172","0.002","101.232","0.002","116.68","0.003","1201.88","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cu N5 O8 S -","- C23 H23 Cu N5 O8 S -","- C46 H46 Cu2 N10 O16 S2 -","2","1","","Ma, Zhen; Wei, Lijuan; Alegria, Elisabete C. B. A.; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis and characterization of copper(ii) 4'-phenyl-terpyridine compounds and catalytic application for aerobic oxidation of benzylic alcohols.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4048","4058","10.1039/c3dt53054j","","","0.71073","MoKα","","0.0313","0.0289","","","0.0757","0.0769","","","","","","1.069","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028535","8.6645","0.0005","24.9251","0.0005","9.9251","0.0003","90","","103.888","0.003","90","","2080.8","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cu N4 O5 -","- C23 H22 Cu N4 O5 -","- C92 H88 Cu4 N16 O20 -","4","1","","Ma, Zhen; Wei, Lijuan; Alegria, Elisabete C. B. A.; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis and characterization of copper(ii) 4'-phenyl-terpyridine compounds and catalytic application for aerobic oxidation of benzylic alcohols.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4048","4058","10.1039/c3dt53054j","","","0.71073","MoKα","","0.053","0.0466","","","0.1399","0.1448","","","","","","1.155","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028536","7.5816","0.0015","12.192","0.002","20.344","0.004","90","","90.6","0.03","90","","1880.4","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl Cu F3 N3 O3 S -","- C22 H15 Cl Cu F3 N3 O3 S -","- C88 H60 Cl4 Cu4 F12 N12 O12 S4 -","4","1","","Ma, Zhen; Wei, Lijuan; Alegria, Elisabete C. B. A.; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis and characterization of copper(ii) 4'-phenyl-terpyridine compounds and catalytic application for aerobic oxidation of benzylic alcohols.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4048","4058","10.1039/c3dt53054j","","","0.71073","MoKα","","0.0489","0.0414","","","0.111","0.1152","","","","","","1.056","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028537","9.2899","0.001","9.2899","0.001","49.248","0.003","90","","90","","120","","3680.8","0.6","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H24 Ag3 K N8 -","- C14 H23.94 Ag3 K N8 -","- C84 H143.64 Ag18 K6 N48 -","6","0.166667","","Liu, Xi; Li, Lin; Yang, Yun-Zhi; Huang, Kun-Lin","Doping potassium ions in silver cyanide complexes for green luminescence.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4086","4092","10.1039/c3dt53219d","","","0.71073","MoKα","","0.0665","0.0359","","","0.0707","0.085","","","","","","1.003","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028538","7.3932","0.0008","7.3932","0.0008","17.641","0.003","90","","90","","120","","835.06","0.19","293","2","293","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C2 H2 Ag Br0 K N2 O -","- C2 H Ag K N2 O -","- C12 H6 Ag6 K6 N12 O6 -","6","0.5","","Liu, Xi; Li, Lin; Yang, Yun-Zhi; Huang, Kun-Lin","Doping potassium ions in silver cyanide complexes for green luminescence.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4086","4092","10.1039/c3dt53219d","","","0.71073","MoKα","","0.0585","0.0465","","","0.1268","0.1359","","","","","","1.002","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028539","11.1784","0.0007","18.689","0.0009","19.5725","0.0009","90","","90","","90","","4089","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H40 Mn2 N8 O16 -","- C38 H40 Mn2 N8 O16 -","- C152 H160 Mn8 N32 O64 -","4","0.5","","Sutradhar, Manas; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Alegria, Elisabete C. B. A.; Liu, Cai-Ming; Pombeiro, Armando J. L.","Dinuclear Mn(ii,ii) complexes: magnetic properties and microwave assisted oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3966","3977","10.1039/c3dt52774c","","","0.71069","MoKα","","0.1143","0.0519","","","0.1018","0.1233","","","","","","0.973","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028540","27.7167","0.0012","10.8872","0.0005","19.674","0.001","90","","126.382","0.001","90","","4779.6","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 Mn2 N10 O18 -","- C40 H42 Mn2 N10 O18 -","- C160 H168 Mn8 N40 O72 -","4","0.5","","Sutradhar, Manas; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Alegria, Elisabete C. B. A.; Liu, Cai-Ming; Pombeiro, Armando J. L.","Dinuclear Mn(ii,ii) complexes: magnetic properties and microwave assisted oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3966","3977","10.1039/c3dt52774c","","","0.71069","MoKα","","0.0908","0.053","","","0.1331","0.1469","","","","","","1.044","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028541","12.8357","0.0004","17.3807","0.0005","23.5331","0.0006","90","","100.233","0.001","90","","5166.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 Mn2 N10 O13 -","- C48 H44 Mn2 N10 O13 -","- C192 H176 Mn8 N40 O52 -","4","0.5","","Sutradhar, Manas; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Alegria, Elisabete C. B. A.; Liu, Cai-Ming; Pombeiro, Armando J. L.","Dinuclear Mn(ii,ii) complexes: magnetic properties and microwave assisted oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3966","3977","10.1039/c3dt52774c","","","0.71069","MoKα","","0.076","0.0568","","","0.1456","0.1595","","","","","","1.022","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028542","10.5455","0.0008","10.5706","0.0009","11.9344","0.001","95.75","0.005","106.408","0.005","103.69","0.006","1219.84","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Mn2 N12 O14 -","- C48 H48 Mn2 N12 O14 -","- C48 H48 Mn2 N12 O14 -","1","0.5","","Sutradhar, Manas; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Alegria, Elisabete C. B. A.; Liu, Cai-Ming; Pombeiro, Armando J. L.","Dinuclear Mn(ii,ii) complexes: magnetic properties and microwave assisted oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3966","3977","10.1039/c3dt52774c","","","0.71069","MoKα","","0.1772","0.0867","","","0.2083","0.252","","","","","","1.023","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028543","12.8509","0.0006","18.0597","0.0009","12.2873","0.0006","90","","108.603","0.002","90","","2702.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 Mn2 N10 O16 -","- C50 H50 Mn2 N10 O16 -","- C100 H100 Mn4 N20 O32 -","2","0.5","","Sutradhar, Manas; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Alegria, Elisabete C. B. A.; Liu, Cai-Ming; Pombeiro, Armando J. L.","Dinuclear Mn(ii,ii) complexes: magnetic properties and microwave assisted oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3966","3977","10.1039/c3dt52774c","","","0.71069","MoKα","","0.0761","0.0442","","","0.1061","0.1156","","","","","","1.027","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028544","13.6392","0.0012","13.8543","0.0012","14.535","0.002","96.723","0.001","99.346","0.001","117.124","0.001","2354.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H118 Cu2 Mo12 N8 O72 V2 -","- C33 H79 Cu2 Mo12 N7.5 O69 V2 -","- C33 H79 Cu2 Mo12 N7.5 O69 V2 -","1","0.5","","Gao, Qiao; Li, Fengyan; Wang, Yuchao; Xu, Lin; Bai, Jie; Wang, Ya","Organic functionalization of polyoxometalate in aqueous solution: self-assembly of a new building block of {VMo6O25} with triethanolamine.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","941","944","10.1039/c3dt52882k","","","0.71073","MoKα","","0.0797","0.0526","","","0.146","0.1674","","","","","","1.029","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028545","15.5144","0.0003","8.9798","0.0002","42.7107","0.0011","90","","94.906","0.002","90","","5928.5","0.2","130","0.1","130","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H42.5 Cl2 Cu N7.5 O11 -","- C21 H42.5 Cl2 Cu N7.5 O11 -","- C168 H340 Cl16 Cu8 N60 O88 -","8","1","","Paterson, Brett M.; Roselt, Peter; Denoyer, Delphine; Cullinane, Carleen; Binns, David; Noonan, Wayne; Jeffery, Charmaine M.; Price, Roger I.; White, Jonathan M.; Hicks, Rodney J.; Donnelly, Paul S.","PET imaging of tumours with a 64Cu labeled macrobicyclic cage amine ligand tethered to Tyr3-octreotate.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1386","1396","10.1039/c3dt52647j","","","1.5418","CuKα","","0.0603","0.0462","","","0.1078","0.1135","","","","","","1.11","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028546","24.025","0.003","9.4785","0.0011","18.776","0.002","90","","90","","90","","4275.7","0.9","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H42 Cu2 Mn N4 O8 -","- C48 H42 Cu2 Mn N4 O8 -","- C192 H168 Cu8 Mn4 N16 O32 -","4","1","","Seth, Piya; Ghosh, Soumavo; Figuerola, Albert; Ghosh, Asutosh","Trinuclear heterometallic Cu(II)-Mn(II) complexes of a salen type Schiff base ligand: anion dependent variation of phenoxido bridging angles and magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","990","998","10.1039/c3dt52012a","","","0.71073","MoKα","","0.0303","0.026","","","0.0607","0.0627","","","","","","1.03","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028547","9.453","0.005","11.21","0.005","15.89","0.005","90","0.005","101.832","0.005","90","0.005","1648.1","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cu2 Mn N10 O4 -","- C34 H32 Cu2 Mn N10 O4 -","- C68 H64 Cu4 Mn2 N20 O8 -","2","0.5","","Seth, Piya; Ghosh, Soumavo; Figuerola, Albert; Ghosh, Asutosh","Trinuclear heterometallic Cu(II)-Mn(II) complexes of a salen type Schiff base ligand: anion dependent variation of phenoxido bridging angles and magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","990","998","10.1039/c3dt52012a","","","0.71073","MoKα","","0.0757","0.0419","","","0.1007","0.1138","","","","","","1.034","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028548","10.0774","0.0017","11.887","0.002","13.945","0.002","92.246","0.002","100.84","0.002","91.095","0.002","1638.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Cu2 Mn N6 O6 -","- C36 H32 Cu2 Mn N6 O6 -","- C72 H64 Cu4 Mn2 N12 O12 -","2","1","","Seth, Piya; Ghosh, Soumavo; Figuerola, Albert; Ghosh, Asutosh","Trinuclear heterometallic Cu(II)-Mn(II) complexes of a salen type Schiff base ligand: anion dependent variation of phenoxido bridging angles and magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","990","998","10.1039/c3dt52012a","","","0.71073","MoKα","","0.0576","0.0403","","","0.0986","0.1096","","","","","","1.051","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028549","9.135","0.005","11.609","0.005","16.358","0.005","90","0.005","100.173","0.005","90","0.005","1707.5","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cu2 Mn N6 O10 -","- C34 H32 Cu2 Mn N6 O10 -","- C68 H64 Cu4 Mn2 N12 O20 -","2","0.5","","Seth, Piya; Ghosh, Soumavo; Figuerola, Albert; Ghosh, Asutosh","Trinuclear heterometallic Cu(II)-Mn(II) complexes of a salen type Schiff base ligand: anion dependent variation of phenoxido bridging angles and magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","990","998","10.1039/c3dt52012a","","","0.71073","MoKα","","0.0778","0.053","","","0.1313","0.1452","","","","","","0.984","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028550","10.532","0.005","17.981","0.005","26.275","0.005","90","","90","","90","","4976","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C50 H46 Cl4 Cu2 Mn N4 O10 -","- C50 H46 Cl4 Cu2 Mn N4 O10 -","- C200 H184 Cl16 Cu8 Mn4 N16 O40 -","4","0.5","","Seth, Piya; Ghosh, Soumavo; Figuerola, Albert; Ghosh, Asutosh","Trinuclear heterometallic Cu(II)-Mn(II) complexes of a salen type Schiff base ligand: anion dependent variation of phenoxido bridging angles and magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","990","998","10.1039/c3dt52012a","","","0.71073","MoKα","","0.1022","0.0604","","","0.1548","0.1779","","","","","","1.02","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028551","15.1307","0.0003","7.41141","0.00013","20.2153","0.0004","90","","100.843","0.0007","90","","2226.47","0.07","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Fe2 O2 -","- C28 H26 Fe2 O2 -","- C112 H104 Fe8 O8 -","4","1","","Tahara, Keishiro; Akita, Tetsuhiro; Katao, Shohei; Kikuchi, Jun-ichi","Construction of di- and tetra-ferrocenyl spiroborate complexes from catechol building blocks and their redox behaviors.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1368","1379","10.1039/c3dt52503a","","","0.71075","MoKα","","","0.0305","","","","0.0804","","","","","","1.193","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028552","8.69797","0.00013","17.7362","0.0003","9.75808","0.00016","90","","107.395","0.0017","90","","1436.53","0.04","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N16 Zn2 -","- C26 H24 N16 Zn2 -","- C52 H48 N32 Zn4 -","2","0.5","","Basu Baul, Tushar S.; Kundu, Sajal; Linden, Anthony; Raviprakash, Nune; Manna, Sunil K.; Guedes da Silva, M Fátima C","Synthesis and characterization of some water soluble Zn(II) complexes with (E)-N-(pyridin-2-ylmethylene)arylamines that regulate tumour cell death by interacting with DNA.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1191","1202","10.1039/c3dt52062e","","","0.71073","MoKα","","0.03","0.0246","","","0.0573","0.0598","","","","","","1.079","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028553","7.8621","0.0003","8.8368","0.0003","10.0742","0.0003","102.598","0.003","100.816","0.003","96.996","0.003","661.19","0.04","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Br2 N2 Zn -","- C12 H10 Br2 N2 Zn -","- C24 H20 Br4 N4 Zn2 -","2","1","","Basu Baul, Tushar S.; Kundu, Sajal; Linden, Anthony; Raviprakash, Nune; Manna, Sunil K.; Guedes da Silva, M Fátima C","Synthesis and characterization of some water soluble Zn(II) complexes with (E)-N-(pyridin-2-ylmethylene)arylamines that regulate tumour cell death by interacting with DNA.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1191","1202","10.1039/c3dt52062e","","","0.71073","MoKα","","0.0446","0.0346","","","0.0732","0.0777","","","","","","1.039","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028554","13.8601","0.0002","8.2826","0.0001","12.6858","0.0002","90","","105.682","0.001","90","","1402.09","0.04","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl2 N2 Zn -","- C13 H12 Cl2 N2 Zn -","- C52 H48 Cl8 N8 Zn4 -","4","1","","Basu Baul, Tushar S.; Kundu, Sajal; Linden, Anthony; Raviprakash, Nune; Manna, Sunil K.; Guedes da Silva, M Fátima C","Synthesis and characterization of some water soluble Zn(II) complexes with (E)-N-(pyridin-2-ylmethylene)arylamines that regulate tumour cell death by interacting with DNA.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1191","1202","10.1039/c3dt52062e","","","0.71073","MoKα","","0.0411","0.0318","","","0.077","0.0824","","","","","","1.031","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028555","11.7947","0.0003","9.78427","0.00018","12.0762","0.0002","90","","104.121","0.002","90","","1351.51","0.05","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 N2 Zn -","- C13 H12 Cl2 N2 Zn -","- C52 H48 Cl8 N8 Zn4 -","4","1","","Basu Baul, Tushar S.; Kundu, Sajal; Linden, Anthony; Raviprakash, Nune; Manna, Sunil K.; Guedes da Silva, M Fátima C","Synthesis and characterization of some water soluble Zn(II) complexes with (E)-N-(pyridin-2-ylmethylene)arylamines that regulate tumour cell death by interacting with DNA.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1191","1202","10.1039/c3dt52062e","","","0.71073","MoKα","","0.0326","0.0275","","","0.0695","0.0725","","","","","","1.134","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028556","17.6449","0.0003","13.1494","0.0002","13.8486","0.0002","90","","99.4538","0.0015","90","","3169.51","0.09","160","1","160","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Br2 N2 O2 Zn -","- C14 H12 Br2 N2 O2 Zn -","- C112 H96 Br16 N16 O16 Zn8 -","8","1","","Basu Baul, Tushar S.; Kundu, Sajal; Linden, Anthony; Raviprakash, Nune; Manna, Sunil K.; Guedes da Silva, M Fátima C","Synthesis and characterization of some water soluble Zn(II) complexes with (E)-N-(pyridin-2-ylmethylene)arylamines that regulate tumour cell death by interacting with DNA.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1191","1202","10.1039/c3dt52062e","","","0.71073","MoKα","","0.0339","0.0264","","","0.0542","0.057","","","","","","1.039","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028557","18.3886","0.0002","13.12663","0.00016","14.1137","0.00017","90","","100.152","0.0012","90","","3353.43","0.07","160","1","160","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 I2 N2 O2 Zn -","- C14 H12 I2 N2 O2 Zn -","- C112 H96 I16 N16 O16 Zn8 -","8","1","","Basu Baul, Tushar S.; Kundu, Sajal; Linden, Anthony; Raviprakash, Nune; Manna, Sunil K.; Guedes da Silva, M Fátima C","Synthesis and characterization of some water soluble Zn(II) complexes with (E)-N-(pyridin-2-ylmethylene)arylamines that regulate tumour cell death by interacting with DNA.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1191","1202","10.1039/c3dt52062e","","","0.71073","MoKα","","0.0236","0.0192","","","0.0423","0.0439","","","","","","1.053","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028558","7.6346","0.0001","18.9972","0.0004","9.7619","0.0001","90","","94.8419","0.0012","90","","1410.77","0.04","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 N2 O Zn -","- C13 H12 Cl2 N2 O Zn -","- C52 H48 Cl8 N8 O4 Zn4 -","4","1","","Basu Baul, Tushar S.; Kundu, Sajal; Linden, Anthony; Raviprakash, Nune; Manna, Sunil K.; Guedes da Silva, M Fátima C","Synthesis and characterization of some water soluble Zn(II) complexes with (E)-N-(pyridin-2-ylmethylene)arylamines that regulate tumour cell death by interacting with DNA.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1191","1202","10.1039/c3dt52062e","","","0.71073","MoKα","","0.0406","0.0287","","","0.0661","0.072","","","","","","1.054","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028559","19.0481","0.0005","20.4629","0.0004","20.5596","0.0005","64.0371","0.0009","73.6124","0.0009","66.0668","0.0009","6532","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H44 B N4 Na O4 S2 -","- C30 H44 B N4 Na O4 S2 -","- C240 H352 B8 N32 Na8 O32 S16 -","8","4","","Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.","Borate-based ligands with two soft heterocycle/thione groups and their sodium and bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1267","1278","10.1039/c3dt52607k","","","0.71073","MoKα","","0.0714","0.0415","","","0.0963","0.1068","","","","","","1.044","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028560","20.9265","0.0001","7.7842","0.00005","22.813","0.0001","90","","113.717","0.0003","90","","3402.3","0.03","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 B N2 Na O S4 -","- C12 H18 B N2 Na O S4 -","- C96 H144 B8 N16 Na8 O8 S32 -","8","2","","Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.","Borate-based ligands with two soft heterocycle/thione groups and their sodium and bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1267","1278","10.1039/c3dt52607k","","","0.71073","MoKα","","0.0315","0.0251","","","0.0669","0.0695","","","","","","1.043","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028561","10.86","0.0004","10.047","0.0003","17.0342","0.0005","90","","103.865","0.0019","90","","1804.45","0.1","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C28 H24 B2 Bi Cl N8 S4 -","- C28 H24 B2 Bi Cl N8 S4 -","- C56 H48 B4 Bi2 Cl2 N16 S8 -","2","0.5","","Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.","Borate-based ligands with two soft heterocycle/thione groups and their sodium and bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1267","1278","10.1039/c3dt52607k","","","0.71073","MoKα","","0.0676","0.0599","","","0.1513","0.1553","","","","","","1.075","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028562","12.6318","0.0006","24.2019","0.0012","7.3555","0.0003","90","","90.001","0.003","90","","2248.68","0.18","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 B2 Bi2 Cl4 N8 O6 S4 -","- C28 H24 B2 Bi2 Cl4 N8 O6 S4 -","- C56 H48 B4 Bi4 Cl8 N16 O12 S8 -","2","0.5","","Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.","Borate-based ligands with two soft heterocycle/thione groups and their sodium and bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1267","1278","10.1039/c3dt52607k","","","0.71073","MoKα","","0.0443","0.0406","","","0.0811","0.082","","","","","","1.252","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028563","21.1943","0.0008","9.8398","0.0004","21.9999","0.0009","90","","118.004","0.002","90","","4050.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 B3 Bi Cl2 N6 S12 -","- C25 H32 B3 Bi Cl2 N6 S12 -","- C100 H128 B12 Bi4 Cl8 N24 S48 -","4","1","","Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.","Borate-based ligands with two soft heterocycle/thione groups and their sodium and bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1267","1278","10.1039/c3dt52607k","","","0.71073","MoKα","","0.0589","0.0388","","","0.0813","0.0887","","","","","","1.018","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028564","20.437","0.0002","13.2322","0.0001","33.6123","0.0003","90","","105.791","0.0005","90","","8746.61","0.14","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H31.5 B3 Bi Cl4.5 N6 S12 -","- C25.5 H31.5 B3 Bi Cl4.5 N6 S12 -","- C204 H252 B24 Bi8 Cl36 N48 S96 -","8","1","","Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.","Borate-based ligands with two soft heterocycle/thione groups and their sodium and bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1267","1278","10.1039/c3dt52607k","","","0.71073","MoKα","","0.0408","0.0299","","","0.0678","0.0719","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028565","11.3881","0.0001","12.376","0.0001","12.5068","0.0001","86.3437","0.0005","89.9873","0.0005","82.142","0.0004","1742.53","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H68 Bi2 Cl6 N12 O4 S6 -","- C58 H68 Bi2 Cl6 N12 O4 S6 -","- C58 H68 Bi2 Cl6 N12 O4 S6 -","1","0.5","","Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.","Borate-based ligands with two soft heterocycle/thione groups and their sodium and bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1267","1278","10.1039/c3dt52607k","","","0.71073","MoKα","","0.0212","0.017","","","0.0401","0.0419","","","","","","1.07","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028566","9.7298","0.0002","10.4082","0.0002","10.5641","0.0002","95.4432","0.0008","102.152","0.0008","95.402","0.0008","1033.95","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 Bi2 Cl6 N4 O2 S8 -","- C24 H36 Bi2 Cl6 N4 O2 S8 -","- C24 H36 Bi2 Cl6 N4 O2 S8 -","1","0.5","","Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.","Borate-based ligands with two soft heterocycle/thione groups and their sodium and bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1267","1278","10.1039/c3dt52607k","","","0.71073","MoKα","","0.026","0.0243","","","0.0579","0.0587","","","","","","1.014","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028567","13.0765","0.0008","16.957","0.001","17.994","0.001","90","","104.2","0.007","90","","3868","0.4","10","2","10","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 F12 Fe N8 P2 -","- C36 H44 F12 Fe N8 P2 -","- C144 H176 F48 Fe4 N32 P8 -","4","1","","Tissot, Antoine; Rivière, Eric; Guillot, Régis; Toupet, Loic; Collet, Eric; Boillot, Marie-Laure","Light-induced excited spin state trapping effect on [Fe(mepy)3tren](PF6)2 solvated crystals.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1063","1071","10.1039/c3dt52495g","","","0.71069","MoKα","","0.0964","0.0467","","","0.0943","0.1014","","","","","","0.875","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028568","13.2599","0.0004","16.8595","0.0004","18.2715","0.0005","90","","103.897","0.003","90","","3965.13","0.19","10","2","10","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 F12 Fe N8 P2 -","- C36 H44 F12 Fe N8 P2 -","- C144 H176 F48 Fe4 N32 P8 -","4","1","","Tissot, Antoine; Rivière, Eric; Guillot, Régis; Toupet, Loic; Collet, Eric; Boillot, Marie-Laure","Light-induced excited spin state trapping effect on [Fe(mepy)3tren](PF6)2 solvated crystals.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1063","1071","10.1039/c3dt52495g","","","0.71069","MoKα","","0.0793","0.0387","","","0.0721","0.0769","","","","","","0.848","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028569","13.3157","0.0004","16.9676","0.0006","18.1951","0.0006","90","","103.62","0.001","90","","3995.3","0.2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 F12 Fe N8 P2 -","- C36 H44 F12 Fe N8 P2 -","- C144 H176 F48 Fe4 N32 P8 -","4","1","","Tissot, Antoine; Rivière, Eric; Guillot, Régis; Toupet, Loic; Collet, Eric; Boillot, Marie-Laure","Light-induced excited spin state trapping effect on [Fe(mepy)3tren](PF6)2 solvated crystals.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1063","1071","10.1039/c3dt52495g","","x-ray","0.71073","MoKα","","0.0462","0.0376","","","0.0968","0.1062","","","","","","1.032","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028570","13.404","0.0005","17.4684","0.0006","18.3855","0.0007","90","","101.934","0.001","90","","4211.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 F12 Fe N8 P2 -","- C35.992 H44 F12 Fe N8 P2 -","- C143.968 H176 F48 Fe4 N32 P8 -","4","1","","Tissot, Antoine; Rivière, Eric; Guillot, Régis; Toupet, Loic; Collet, Eric; Boillot, Marie-Laure","Light-induced excited spin state trapping effect on [Fe(mepy)3tren](PF6)2 solvated crystals.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1063","1071","10.1039/c3dt52495g","","x-ray","0.71073","MoKα","","0.1107","0.0772","","","0.2146","0.2584","","","","","","1.075","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028571","8.5108","0.0004","9.7943","0.0004","11.4935","0.0005","100.446","0.002","90.126","0.002","100.326","0.002","926.33","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cl3 N4 Ru S -","- C16 H14 Cl3 N4 Ru S -","- C32 H28 Cl6 N8 Ru2 S2 -","2","1","","Ogweno, Aloice O.; Ojwach, Stephen O.; Akerman, Matthew P.","(Pyridyl)benzoazole ruthenium(II) and ruthenium(III) complexes: role of heteroatom and ancillary phosphine ligand in the transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1228","1237","10.1039/c3dt51599k","","","0.71073","MoKα","","0.0165","0.0159","","","0.04","0.0404","","","","","","1.129","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028572","8.6945","0.0004","9.5982","0.0004","11.3983","0.0005","102.453","0.002","90.168","0.002","99.82","0.002","914.44","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Cl3 N5 Ru -","- C16 H15 Cl3 N5 Ru -","- C32 H30 Cl6 N10 Ru2 -","2","1","","Ogweno, Aloice O.; Ojwach, Stephen O.; Akerman, Matthew P.","(Pyridyl)benzoazole ruthenium(II) and ruthenium(III) complexes: role of heteroatom and ancillary phosphine ligand in the transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1228","1237","10.1039/c3dt51599k","","","0.71073","MoKα","","0.0188","0.0175","","","0.0495","0.0503","","","","","","1.079","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028573","14.0472","0.0012","12.9062","0.0014","11.2407","0.0005","90","","90","","90","","2037.9","0.3","293.4","0.9","293.4","0.9","0","0","0","0","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.","A structural study of a three-membered linear metal chain compound at elevated pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1313","1320","10.1039/c3dt52035h","","","0.7107","MoKα","","0.1209","0.0558","","","0.1194","0.153","","","","","","1.037","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028574","13.7147","0.0015","12.705","0.0006","10.8427","0.0017","90","","90","","90","","1889.3","0.4","293","0.9","293","0.9","740000","40000","740000","40000","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.","A structural study of a three-membered linear metal chain compound at elevated pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1313","1320","10.1039/c3dt52035h","","","0.7107","MoKα","","0.1185","0.0588","","","0.1059","0.1403","","","","","","1.057","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028575","13.502","0.002","12.5615","0.0013","10.381","0.004","90","","90","","90","","1760.7","0.7","292.4","0.6","292.4","0.6","2170000","50000","2170000","50000","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.","A structural study of a three-membered linear metal chain compound at elevated pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1313","1320","10.1039/c3dt52035h","","","0.7107","MoKα","","0.1315","0.0756","","","0.187","0.2406","","","","","","1.07","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028576","13.3971","0.0013","12.45","0.0006","10.192","0.002","90","","90","","90","","1700","0.4","292.57","0.1","292.57","0.1","3200000","100000","3200000","100000","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.","A structural study of a three-membered linear metal chain compound at elevated pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1313","1320","10.1039/c3dt52035h","","","0.7107","MoKα","","0.1355","0.071","","","0.1538","0.1983","","","","","","1.051","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028577","13.8547","0.0004","12.7941","0.0009","11.0243","0.0009","90","","90","","90","","1954.1","0.2","293","2","293","2","320000","30000","320000","30000","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.","A structural study of a three-membered linear metal chain compound at elevated pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1313","1320","10.1039/c3dt52035h","","","0.7107","MoKα","","0.0883","0.0479","","","0.0867","0.1017","","","","","","1.057","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028578","13.6906","0.0004","12.6908","0.0009","10.8131","0.0009","90","","90","","90","","1878.7","0.2","293","2","293","2","820000","40000","820000","40000","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.","A structural study of a three-membered linear metal chain compound at elevated pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1313","1320","10.1039/c3dt52035h","","","0.7107","MoKα","","0.0835","0.0488","","","0.092","0.105","","","","","","1.066","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028579","13.5953","0.0004","12.6243","0.001","10.6351","0.0011","90","","90","","90","","1825.3","0.2","292.1","0.5","292.1","0.5","1330000","30000","1330000","30000","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.","A structural study of a three-membered linear metal chain compound at elevated pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1313","1320","10.1039/c3dt52035h","","","0.7107","MoKα","","0.1292","0.0817","","","0.2159","0.2502","","","","","","1.241","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028580","13.4678","0.001","12.5281","0.0018","10.299","0.002","90","","90","","90","","1737.7","0.4","292","0.5","292","0.5","2530000","600000","2530000","600000","","","","5","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co3 N12 -","- C41 H34 Cl4 Co3 N12 -","- C82 H68 Cl8 Co6 N24 -","2","0.5","","Madsen, Solveig R.; Thomsen, Maja K.; Scheins, Stephan; Chen, Yu-Sheng; Finkelmeier, Nils; Stalke, Dietmar; Overgaard, Jacob; Iversen, Bo B.","A structural study of a three-membered linear metal chain compound at elevated pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1313","1320","10.1039/c3dt52035h","","","0.7107","MoKα","","0.1284","0.0598","","","0.1222","0.1574","","","","","","1.131","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028581","15.5741","0.0003","8.1729","0.0001","19.7272","0.0003","90","","109.11","0.001","90","","2372.61","0.07","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N3 O2 Pt S -","- C26 H27 N3 O2 Pt S -","- C104 H108 N12 O8 Pt4 S4 -","4","1","","Micutz, Marin; Iliş, Monica; Staicu, Teodora; Dumitraşcu, Florea; Pasuk, Iuliana; Molard, Yann; Roisnel, Thierry; Cîrcu, Viorel","Luminescent liquid crystalline materials based on palladium(II) imine derivatives containing the 2-phenylpyridine core.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1151","1161","10.1039/c3dt52137k","","x-ray","0.71073","MoKα","","0.0306","0.0235","","","0.0471","0.0494","","","","","","1.033","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028582","7.4355","0.0009","8.2355","0.001","26.969","0.003","94.842","0.005","92.304","0.005","104.881","0.005","1587.1","0.3","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C29 H38 Cl4 N2 O2 Pt S -","- C29 H38 Cl4 N2 O2 Pt S -","- C58 H76 Cl8 N4 O4 Pt2 S2 -","2","1","","Micutz, Marin; Iliş, Monica; Staicu, Teodora; Dumitraşcu, Florea; Pasuk, Iuliana; Molard, Yann; Roisnel, Thierry; Cîrcu, Viorel","Luminescent liquid crystalline materials based on palladium(II) imine derivatives containing the 2-phenylpyridine core.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1151","1161","10.1039/c3dt52137k","","x-ray","0.71073","MoKα","","0.0554","0.0412","","","0.0688","0.0726","","","","","","1.04","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028583","10.2638","0.001","14.4107","0.0014","19.1385","0.0016","73.808","0.003","89.864","0.004","73.765","0.004","2601.3","0.4","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C54 H66 N6 O3 Pd2 S2 -","- C54 H66 N6 O3 Pd2 S2 -","- C108 H132 N12 O6 Pd4 S4 -","2","1","","Micutz, Marin; Iliş, Monica; Staicu, Teodora; Dumitraşcu, Florea; Pasuk, Iuliana; Molard, Yann; Roisnel, Thierry; Cîrcu, Viorel","Luminescent liquid crystalline materials based on palladium(II) imine derivatives containing the 2-phenylpyridine core.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1151","1161","10.1039/c3dt52137k","","x-ray","0.71073","MoKα","","0.0766","0.0543","","","0.1388","0.1609","","","","","","1.051","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028584","9.556","0.005","11.468","0.005","22.267","0.005","93.896","0.005","98.182","0.005","100.288","0.005","2365.6","1.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Ag Cl N8 O4 -","- C44 H40 Ag Cl N8 O4 -","- C88 H80 Ag2 Cl2 N16 O8 -","2","1","","Zheng, Zheng; Yu, Zhi-Peng; Yang, Ming-Di; Jin, Feng; Ye, Li-Na; Fang, Min; Zhou, Hong-Ping; Wu, Jie-Ying; Tian, Yu-Peng","Silver(I) supramolecular complexes generated from isophorone-based ligands: crystal structures and enhanced nonlinear optical properties through metal complexation.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1139","1150","10.1039/c3dt52364k","","","0.71069","MoKα","","0.1734","0.088","","","0.2129","0.2455","","","","","","1.025","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028585","7.727","0.005","32.015","0.005","8.917","0.005","90","0.005","112.829","0.005","90","0.005","2033.1","1.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Ag N9 O3 -","- C44 H40 Ag N9 O3 -","- C88 H80 Ag2 N18 O6 -","2","0.5","","Zheng, Zheng; Yu, Zhi-Peng; Yang, Ming-Di; Jin, Feng; Ye, Li-Na; Fang, Min; Zhou, Hong-Ping; Wu, Jie-Ying; Tian, Yu-Peng","Silver(I) supramolecular complexes generated from isophorone-based ligands: crystal structures and enhanced nonlinear optical properties through metal complexation.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1139","1150","10.1039/c3dt52364k","","","0.71069","MoKα","","0.0656","0.0524","","","0.1542","0.1702","","","","","","1.038","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028586","6.991","0.014","13.22","0.03","13.23","0.03","80.11","0.02","81.34","0.02","77.57","0.02","1168","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 Ag N9 O3 -","- C50 H46 Ag N9 O3 -","- C50 H46 Ag N9 O3 -","1","0.5","","Zheng, Zheng; Yu, Zhi-Peng; Yang, Ming-Di; Jin, Feng; Ye, Li-Na; Fang, Min; Zhou, Hong-Ping; Wu, Jie-Ying; Tian, Yu-Peng","Silver(I) supramolecular complexes generated from isophorone-based ligands: crystal structures and enhanced nonlinear optical properties through metal complexation.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1139","1150","10.1039/c3dt52364k","","","0.71073","MoKα","","0.0531","0.0459","","","0.1199","0.1249","","","","","","1.057","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028587","9.667","0.005","11.899","0.005","21.743","0.005","93.227","0.005","99.083","0.005","100.103","0.005","2422.3","1.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 Ag F3 N8 O2 -","- C52 H46 Ag F3 N8 O2 -","- C104 H92 Ag2 F6 N16 O4 -","2","1","","Zheng, Zheng; Yu, Zhi-Peng; Yang, Ming-Di; Jin, Feng; Ye, Li-Na; Fang, Min; Zhou, Hong-Ping; Wu, Jie-Ying; Tian, Yu-Peng","Silver(I) supramolecular complexes generated from isophorone-based ligands: crystal structures and enhanced nonlinear optical properties through metal complexation.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1139","1150","10.1039/c3dt52364k","","","0.71069","MoKα","","0.0818","0.0686","","","0.2099","0.2303","","","","","","1.02","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028588","9.738","0.002","11.756","0.002","21.462","0.004","94.268","0.003","96.334","0.003","98.17","0.003","2407","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H40 Ag F6 N8 P -","- C50 H40 Ag F6 N8 P -","- C100 H80 Ag2 F12 N16 P2 -","2","1","","Zheng, Zheng; Yu, Zhi-Peng; Yang, Ming-Di; Jin, Feng; Ye, Li-Na; Fang, Min; Zhou, Hong-Ping; Wu, Jie-Ying; Tian, Yu-Peng","Silver(I) supramolecular complexes generated from isophorone-based ligands: crystal structures and enhanced nonlinear optical properties through metal complexation.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1139","1150","10.1039/c3dt52364k","","","0.71073","MoKα","","0.133","0.0688","","","0.1746","0.2129","","","","","","1.049","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028589","26.621","0.005","7.851","0.005","18.755","0.005","90","0.005","92.618","0.005","90","0.005","3916","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Ag N11 O3 -","- C42 H38 Ag N11 O3 -","- C168 H152 Ag4 N44 O12 -","4","0.5","","Zheng, Zheng; Yu, Zhi-Peng; Yang, Ming-Di; Jin, Feng; Ye, Li-Na; Fang, Min; Zhou, Hong-Ping; Wu, Jie-Ying; Tian, Yu-Peng","Silver(I) supramolecular complexes generated from isophorone-based ligands: crystal structures and enhanced nonlinear optical properties through metal complexation.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1139","1150","10.1039/c3dt52364k","","","0.71069","MoKα","","0.0434","0.0389","","","0.1121","0.1171","","","","","","1.002","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028590","10.75","0.005","12.813","0.005","20.012","0.005","73.54","0.005","80.24","0.005","65.257","0.005","2396.7","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Ag2 F6 N10 O4 -","- C46 H38 Ag2 F6 N10 O4 -","- C92 H76 Ag4 F12 N20 O8 -","2","1","","Zheng, Zheng; Yu, Zhi-Peng; Yang, Ming-Di; Jin, Feng; Ye, Li-Na; Fang, Min; Zhou, Hong-Ping; Wu, Jie-Ying; Tian, Yu-Peng","Silver(I) supramolecular complexes generated from isophorone-based ligands: crystal structures and enhanced nonlinear optical properties through metal complexation.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1139","1150","10.1039/c3dt52364k","","","0.71069","MoKα","","0.0761","0.0614","","","0.1649","0.1848","","","","","","1.063","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028591","26.768","0.005","7.99","0.005","19.6","0.005","90","0.005","96.028","0.005","90","0.005","4169","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Ag F6 N10 P -","- C42 H38 Ag F6 N10 P -","- C168 H152 Ag4 F24 N40 P4 -","4","0.5","","Zheng, Zheng; Yu, Zhi-Peng; Yang, Ming-Di; Jin, Feng; Ye, Li-Na; Fang, Min; Zhou, Hong-Ping; Wu, Jie-Ying; Tian, Yu-Peng","Silver(I) supramolecular complexes generated from isophorone-based ligands: crystal structures and enhanced nonlinear optical properties through metal complexation.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1139","1150","10.1039/c3dt52364k","","","0.71069","MoKα","","0.0462","0.0351","","","0.0965","0.1055","","","","","","1.025","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028592","21.06","0.002","21.06","0.002","17.7326","0.0019","90","","90","","90","","7864.8","1.4","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C43 H40 Mo N O8 P2 -","- C43 H40 Mo N O8 P2 -","- C344 H320 Mo8 N8 O64 P16 -","8","0.5","","Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.","Bisamino(diphosphonite) with dangling olefin functionalities: synthesis, metal chemistry and catalytic utility of Rh(I) and Pd(II) complexes in hydroformylation and Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1082","1095","10.1039/c3dt52400k","","","0.71073","MoKα","","0.0755","0.0476","","","0.1101","0.1265","","","","","","1.712","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028593","21.0377","0.0017","21.0377","0.0017","17.7433","0.0015","90","","90","","90","","7852.9","1.1","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C43 H38 N O8 P2 W -","- C43 H38 N O8 P2 W -","- C344 H304 N8 O64 P16 W8 -","8","0.5","","Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.","Bisamino(diphosphonite) with dangling olefin functionalities: synthesis, metal chemistry and catalytic utility of Rh(I) and Pd(II) complexes in hydroformylation and Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1082","1095","10.1039/c3dt52400k","","","0.71073","MoKα","","0.0361","0.027","","","0.0595","0.0645","","","","","","1.029","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028594","15.222","0.005","15.757","0.006","20.793","0.008","93.652","0.006","98.092","0.006","115.125","0.005","4428","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H94 Fe4 N2 O12 P4 -","- C102 H94 Fe4 N2 O12 P4 -","- C204 H188 Fe8 N4 O24 P8 -","2","1","","Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.","Bisamino(diphosphonite) with dangling olefin functionalities: synthesis, metal chemistry and catalytic utility of Rh(I) and Pd(II) complexes in hydroformylation and Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1082","1095","10.1039/c3dt52400k","","","0.71073","MoKα","","0.3595","0.1177","","","0.1936","0.2858","","","","","","0.936","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028595","15.694","0.004","24.793","0.006","24.102","0.006","90","","108.831","0.003","90","","8876","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H96 Fe4 N2 O12 P4 -","- C102 H96 Fe4 N2 O12 P4 -","- C408 H384 Fe16 N8 O48 P16 -","4","1","","Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.","Bisamino(diphosphonite) with dangling olefin functionalities: synthesis, metal chemistry and catalytic utility of Rh(I) and Pd(II) complexes in hydroformylation and Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1082","1095","10.1039/c3dt52400k","","","0.71073","MoKα","","0.1254","0.065","","","0.1362","0.1654","","","","","","1.02","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028596","10.1635","0.0008","14.0031","0.001","16.8906","0.0013","69.067","0.001","73.043","0.001","82.968","0.001","2147.2","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H88 Cl4 Cu4 N6 O8 P4 -","- C86 H88 Cl4 Cu4 N6 O8 P4 -","- C86 H88 Cl4 Cu4 N6 O8 P4 -","1","0.5","","Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.","Bisamino(diphosphonite) with dangling olefin functionalities: synthesis, metal chemistry and catalytic utility of Rh(I) and Pd(II) complexes in hydroformylation and Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1082","1095","10.1039/c3dt52400k","","","0.71073","MoKα","","0.0592","0.0434","","","0.1077","0.1177","","","","","","1.011","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028597","10.2115","0.0019","13.988","0.003","16.974","0.004","68.746","0.003","73.126","0.002","82.826","0.002","2161.8","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H88 Br4 Cu4 N6 O8 P4 -","- C86 H88 Br4 Cu4 N6 O8 P4 -","- C86 H88 Br4 Cu4 N6 O8 P4 -","1","0.5","","Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.","Bisamino(diphosphonite) with dangling olefin functionalities: synthesis, metal chemistry and catalytic utility of Rh(I) and Pd(II) complexes in hydroformylation and Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1082","1095","10.1039/c3dt52400k","","","0.71073","MoKα","","0.0711","0.0454","","","0.1065","0.1137","","","","","","1.056","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028598","10.583","0.002","14.336","0.003","17.25","0.003","100.788","0.002","104.252","0.002","104.309","0.002","2370.6","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H94 Cu4 I4 N8 O8 P4 -","- C90 H94 Cu4 I4 N8 O8 P4 -","- C90 H94 Cu4 I4 N8 O8 P4 -","1","0.5","","Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.","Bisamino(diphosphonite) with dangling olefin functionalities: synthesis, metal chemistry and catalytic utility of Rh(I) and Pd(II) complexes in hydroformylation and Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1082","1095","10.1039/c3dt52400k","","","0.71073","MoKα","","0.0418","0.0364","","","0.0987","0.1031","","","","","","1.054","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028599","14.1051","0.0008","15.314","0.0008","18.5847","0.001","90","","102.948","0.001","90","","3912.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ-{1,4-bis[bis(bis(2-(3-propenyl)phenoxy)phosphino)amino]benzene} tetrakis(chlorogold(I))","","- C78 H76 Au4 Cl4 N2 O8 P4 -","- C78 H76 Au4 Cl4 N2 O8 P4 -","- C156 H152 Au8 Cl8 N4 O16 P8 -","2","0.5","","Naik, Susmita; Kumaravel, Maruthai; Mague, Joel T.; Balakrishna, Maravanji S.","Bisamino(diphosphonite) with dangling olefin functionalities: synthesis, metal chemistry and catalytic utility of Rh(I) and Pd(II) complexes in hydroformylation and Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1082","1095","10.1039/c3dt52400k","","","0.71073","MoKα","","0.0243","0.0187","","","0.0375","0.0393","","","","","","1.045","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028600","9.516","0.002","13.668","0.003","17.62","0.002","75.658","0.004","84.462","0.007","70.26","0.02","2089.6","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Cl Cu N3 O3 -","- C22 H20 Cl Cu N3 O3 -","- C88 H80 Cl4 Cu4 N12 O12 -","4","2","","Munira Haidad Ali, Siti; Yan, Yaw-Kai; Lee, Peter P. F.; Khong, Kenny Zhi Xiang; Alam Sk, Mahasin; Lim, Kok Hwa; Klejevskaja, Beata; Vilar, Ramon","Copper(II) complexes of substituted salicylaldehyde dibenzyl semicarbazones: synthesis, cytotoxicity and interaction with quadruplex DNA.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1449","1459","10.1039/c3dt52297k","","","0.71073","MoKα","","0.0843","0.0449","","","0.0919","0.1016","","","","","","1.014","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028601","9.587","0.001","16.27","0.002","17.13","0.003","90","","101.44","0.01","90","","2618.9","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Cu N5 O6 -","- C27 H25 Cu N5 O6 -","- C108 H100 Cu4 N20 O24 -","4","1","","Munira Haidad Ali, Siti; Yan, Yaw-Kai; Lee, Peter P. F.; Khong, Kenny Zhi Xiang; Alam Sk, Mahasin; Lim, Kok Hwa; Klejevskaja, Beata; Vilar, Ramon","Copper(II) complexes of substituted salicylaldehyde dibenzyl semicarbazones: synthesis, cytotoxicity and interaction with quadruplex DNA.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1449","1459","10.1039/c3dt52297k","","","0.71073","MoKα","","0.0635","0.0397","","","0.0832","0.0892","","","","","","1.035","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028602","16.4523","0.0003","12.8122","0.0014","19.7849","0.0015","90","","98.503","0.006","90","","4124.6","0.6","111","2","111","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H72 In N9 -","- C33 H72 In N9 -","- C132 H288 In4 N36 -","4","0.5","","Gebhard, M.; Hellwig, M.; Parala, H.; Xu, K.; Winter, M.; Devi, A.","Indium-tris-guanidinates: a promising class of precursors for water assisted atomic layer deposition of In2O3 thin films.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","937","940","10.1039/c3dt52746h","","","0.71073","MoKα","","0.0384","0.0299","","","0.067","0.069","","","","","","1.011","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028603","16.2217","0.0006","11.147","0.0003","23.0289","0.0009","90","","109.239","0.003","90","","3931.6","0.2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H60 In N9 -","- C27 H60 In N9 -","- C108 H240 In4 N36 -","4","1","","Gebhard, M.; Hellwig, M.; Parala, H.; Xu, K.; Winter, M.; Devi, A.","Indium-tris-guanidinates: a promising class of precursors for water assisted atomic layer deposition of In2O3 thin films.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","937","940","10.1039/c3dt52746h","","","0.71073","MoKα","","0.0436","0.0399","","","0.102","0.1037","","","","","","1.202","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028604","24.1753","0.0009","9.7937","0.0004","31.2016","0.0012","90","","90.584","0.002","90","","7387.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N2 P Pt -","- C31 H25 N2 P Pt -","- C372 H300 N24 P12 Pt12 -","12","3","","Jamali, Sirous; Ghazfar, Reza; Lalinde, Elena; Jamshidi, Zahra; Samouei, Hamidreza; Shahsavari, Hamid R.; Moreno, M. Teresa; Escudero-Adán, Eduardo; Benet-Buchholz, Jordi; Milic, Dalibor","Cyclometalated heteronuclear Pt/Ag and Pt/Tl complexes: a structural and photophysical study.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1105","1116","10.1039/c3dt52209a","","","0.71073","MoKα","","0.0827","0.0585","","","0.1253","0.1347","","","","","","1.135","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028605","9.1552","0.0003","13.285","0.0005","14.9645","0.0006","109.037","0.003","101.241","0.003","108.052","0.003","1544.58","0.12","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H27 F6 N2 O P2 Pt Tl -","- C31 H27 F6 N2 O P2 Pt Tl -","- C62 H54 F12 N4 O2 P4 Pt2 Tl2 -","2","1","","Jamali, Sirous; Ghazfar, Reza; Lalinde, Elena; Jamshidi, Zahra; Samouei, Hamidreza; Shahsavari, Hamid R.; Moreno, M. Teresa; Escudero-Adán, Eduardo; Benet-Buchholz, Jordi; Milic, Dalibor","Cyclometalated heteronuclear Pt/Ag and Pt/Tl complexes: a structural and photophysical study.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1105","1116","10.1039/c3dt52209a","","","0.71073","MoKα","","0.042","0.0296","","","0.0699","0.0727","","","","","","0.953","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028606","10.33","0.002","10.453","0.002","19.993","0.004","102.31","0.03","101.71","0.03","97.19","0.03","2033","0.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 Bi N3 O4 S4 -","- C44.006 H36 Bi N3 O4 S4 -","- C88.012 H72 Bi2 N6 O8 S8 -","2","1","","Andrews, Philip C.; Blair, Victoria L.; Ferrero, Richard L.; Junk, Peter C.; Kedzierski, Lukasz; Peiris, Roshani M.","Bismuth(III) β-thioxoketonates as antibiotics against Helicobacter pylori and as anti-leishmanial agents.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1279","1291","10.1039/c3dt52544a","","","0.71073","MoKα","","0.0919","0.0497","","","0.099","0.1165","","","","","","1.008","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028607","7.8242","0.001","8.0124","0.0011","9.5144","0.0012","94.764","0.003","95.869","0.003","110.659","0.002","550.62","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Br2 Cu2 N2 S2 -","- C20 H18 Br2 Cu2 N2 S2 -","- C20 H18 Br2 Cu2 N2 S2 -","1","0.5","","Han, Xiaoyan; Weng, Zhiqiang; Young, David James; Jin, Guo-Xin; Hor, T. S. Andy","Stoichiometric sensitivity and structural diversity in click-active copper(I) N,S-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1305","1312","10.1039/c3dt52059e","","","0.71073","MoKα","","0.0571","0.0409","","","0.1122","0.1375","","","","","","1.075","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028608","9.5728","0.0007","10.8961","0.0008","11.535","0.0008","75.943","0.001","89.931","0.001","74.752","0.001","1123.53","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Br4 Cu4 N4 S4 -","- C40 H44 Br4 Cu4 N4 S4 -","- C40 H44 Br4 Cu4 N4 S4 -","1","0.5","","Han, Xiaoyan; Weng, Zhiqiang; Young, David James; Jin, Guo-Xin; Hor, T. S. Andy","Stoichiometric sensitivity and structural diversity in click-active copper(I) N,S-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1305","1312","10.1039/c3dt52059e","","","0.71073","MoKα","","0.041","0.0325","","","0.0875","0.0911","","","","","","1.057","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028609","11.1913","0.0008","15.8654","0.0011","13.3763","0.0009","90","","93.003","0.002","90","","2371.8","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Br4 Cu4 N4 S4 -","- C44 H44 Br4 Cu4 N4 S4 -","- C88 H88 Br8 Cu8 N8 S8 -","2","0.5","","Han, Xiaoyan; Weng, Zhiqiang; Young, David James; Jin, Guo-Xin; Hor, T. S. Andy","Stoichiometric sensitivity and structural diversity in click-active copper(I) N,S-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1305","1312","10.1039/c3dt52059e","","","0.71073","MoKα","","0.0775","0.0466","","","0.1071","0.1196","","","","","","0.966","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028610","8.5427","0.0005","16.1539","0.0009","14.0458","0.0008","90","","96.01","0.001","90","","1927.64","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cu2 I2 N2 S2 -","- C16 H14 Cu2 I2 N2 S2 -","- C64 H56 Cu8 I8 N8 S8 -","4","1","","Han, Xiaoyan; Weng, Zhiqiang; Young, David James; Jin, Guo-Xin; Hor, T. S. Andy","Stoichiometric sensitivity and structural diversity in click-active copper(I) N,S-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1305","1312","10.1039/c3dt52059e","","","0.71073","MoKα","","0.0322","0.0293","","","0.0676","0.0691","","","","","","1.099","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028611","9.3023","0.0006","21.4109","0.0015","14.8244","0.0009","90","","96.819","0.002","90","","2931.7","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Br Cu2 N2 O S2 -","- C26 H31 Br Cu2 N2 O S2 -","- C104 H124 Br4 Cu8 N8 O4 S8 -","4","1","","Han, Xiaoyan; Weng, Zhiqiang; Young, David James; Jin, Guo-Xin; Hor, T. S. Andy","Stoichiometric sensitivity and structural diversity in click-active copper(I) N,S-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1305","1312","10.1039/c3dt52059e","","","0.71073","MoKα","","0.1113","0.0577","","","0.1549","0.1776","","","","","","1.001","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028612","8.9738","0.0003","18.1681","0.0007","18.9695","0.0007","95.139","0.001","92.819","0.001","98.376","0.001","3041.36","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Br2 Cu2 N3 S3 -","- C30 H27 Br2 Cu2 N3 S3 -","- C120 H108 Br8 Cu8 N12 S12 -","4","2","","Han, Xiaoyan; Weng, Zhiqiang; Young, David James; Jin, Guo-Xin; Hor, T. S. Andy","Stoichiometric sensitivity and structural diversity in click-active copper(I) N,S-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1305","1312","10.1039/c3dt52059e","","","0.71073","MoKα","","0.0503","0.0362","","","0.0826","0.0882","","","","","","1.016","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028613","8.9571","0.0004","25.9573","0.0011","17.001","0.0008","90","","100.665","0.001","90","","3884.5","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Br2 Cu2 N3 O S3 -","- C36 H39 Br2 Cu2 N3 O S3 -","- C144 H156 Br8 Cu8 N12 O4 S12 -","4","1","","Han, Xiaoyan; Weng, Zhiqiang; Young, David James; Jin, Guo-Xin; Hor, T. S. Andy","Stoichiometric sensitivity and structural diversity in click-active copper(I) N,S-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1305","1312","10.1039/c3dt52059e","","","0.71073","MoKα","","0.0777","0.0462","","","0.0972","0.1082","","","","","","0.969","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028614","12.0408","0.0019","20.945","0.003","8.6404","0.0014","90","","99.034","0.003","90","","2152","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br Cu N2 S2 -","- C22 H22 Br Cu N2 S2 -","- C88 H88 Br4 Cu4 N8 S8 -","4","1","","Han, Xiaoyan; Weng, Zhiqiang; Young, David James; Jin, Guo-Xin; Hor, T. S. Andy","Stoichiometric sensitivity and structural diversity in click-active copper(I) N,S-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1305","1312","10.1039/c3dt52059e","","","0.71073","MoKα","","0.0433","0.0346","","","0.0854","0.0954","","","","","","1.096","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028615","8.8912","0.0008","9.9787","0.0009","14.6609","0.0013","79.561","0.002","73.79","0.002","75.256","0.002","1199.39","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Cu2 I2 N4 O2 S4 -","- C46 H48 Cu2 I2 N4 O2 S4 -","- C46 H48 Cu2 I2 N4 O2 S4 -","1","0.5","","Han, Xiaoyan; Weng, Zhiqiang; Young, David James; Jin, Guo-Xin; Hor, T. S. Andy","Stoichiometric sensitivity and structural diversity in click-active copper(I) N,S-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1305","1312","10.1039/c3dt52059e","","","0.71073","MoKα","","0.0416","0.0357","","","0.0952","0.1034","","","","","","1.086","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028616","9.5374","0.0019","12.329","0.003","13.578","0.003","114.91","0.03","93.92","0.03","108.1","0.03","1339.1","0.8","108","2","108","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H48 Cl4 Li2 N6 O4 P2 U -","- C48 H48 Cl4 Li2 N6 O4 P2 U -","- C48 H48 Cl4 Li2 N6 O4 P2 U -","1","0.5","","Hashem, Emtithal; McCabe, Thomas; Schulzke, Carola; Baker, Robert J.","Synthesis, structure and photophysical properties of [UO2X2(O=PPh3)2] (X = Cl, Br, I).","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1125","1131","10.1039/c3dt52480a","","","0.71073","MoKα","","0.0193","0.0193","","","0.056","0.056","","","","","","1.081","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028617","9.2695","0.0019","10.43","0.002","18.221","0.004","90","","97.91","0.03","90","","1744.9","0.6","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Br2 O4 P2 U -","- C36 H30 Br2 O4 P2 U -","- C72 H60 Br4 O8 P4 U2 -","2","0.5","","Hashem, Emtithal; McCabe, Thomas; Schulzke, Carola; Baker, Robert J.","Synthesis, structure and photophysical properties of [UO2X2(O=PPh3)2] (X = Cl, Br, I).","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1125","1131","10.1039/c3dt52480a","","","0.71073","MoKα","","0.1176","0.1019","","","0.2766","0.2991","","","","","","1.149","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028618","16.4991","0.0009","23.6236","0.0012","23.0801","0.0009","90","","132.69","0.002","90","","6612.3","0.6","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 I3 Li O4 P4 -","- C72 H60 I3 Li O4 P4 -","- C288 H240 I12 Li4 O16 P16 -","4","1","","Hashem, Emtithal; McCabe, Thomas; Schulzke, Carola; Baker, Robert J.","Synthesis, structure and photophysical properties of [UO2X2(O=PPh3)2] (X = Cl, Br, I).","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1125","1131","10.1039/c3dt52480a","","","0.71073","MoKα","","0.0765","0.0422","","","0.0832","0.0967","","","","","","1.03","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028619","9.9362","0.0003","12.7413","0.0004","18.0469","0.0004","90","","90","","90","","2284.74","0.11","298","","298","2","","","","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Al N4 -","- C25 H25 Al N4 -","- C100 H100 Al4 N16 -","4","1","","Tabthong, Sittichoke; Nanok, Tanin; Kongsaeree, Palangpon; Prabpai, Samran; Hormnirun, Pimpa","Monomethylaluminum and dimethylaluminum pyrrolylaldiminates for the ring-opening polymerization of rac-lactide: effects of ligand structure and coordination geometry.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1348","1359","10.1039/c3dt52455h","","x-ray","0.71073","MoKα","","0.0739","0.046","","","0.1145","0.1284","","","","","","0.981","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028620","10.6892","0.0006","18.205","0.001","12.5195","0.0009","90","","109.661","0.003","90","","2294.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Dy2 N10 O22 -","- C40 H36 Dy2 N10 O22 -","- C80 H72 Dy4 N20 O44 -","2","0.5","","Yang, Fen; Zhou, Qi; Zeng, Guang; Li, Guanghua; Gao, Lu; Shi, Zhan; Feng, Shouhua","Anion effects on the structures and magnetic properties of binuclear lanthanide single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1238","1245","10.1039/c3dt52634h","","","0.71073","MoKα","","0.0831","0.0384","","","0.058","0.0642","","","","","","0.825","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028621","10.716","0.002","18.234","0.004","12.561","0.003","90","","109.75","0.03","90","","2310","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Gd2 N10 O22 -","- C40 H36 Gd2 N10 O22 -","- C80 H72 Gd4 N20 O44 -","2","0.5","","Yang, Fen; Zhou, Qi; Zeng, Guang; Li, Guanghua; Gao, Lu; Shi, Zhan; Feng, Shouhua","Anion effects on the structures and magnetic properties of binuclear lanthanide single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1238","1245","10.1039/c3dt52634h","","","0.71073","MoKα","","0.0261","0.021","","","0.0523","0.0635","","","","","","1.173","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028622","10.91","0.002","12.189","0.002","18.974","0.004","90","","105.93","0.03","90","","2426.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Cl6 Dy2 N4 O6 -","- C44 H48 Cl6 Dy2 N4 O6 -","- C88 H96 Cl12 Dy4 N8 O12 -","2","0.5","","Yang, Fen; Zhou, Qi; Zeng, Guang; Li, Guanghua; Gao, Lu; Shi, Zhan; Feng, Shouhua","Anion effects on the structures and magnetic properties of binuclear lanthanide single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1238","1245","10.1039/c3dt52634h","","","0.71073","MoKα","","0.0645","0.0401","","","0.0715","0.0784","","","","","","1.017","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028623","10.883","0.002","12.17","0.002","18.594","0.004","90","","105.43","0.03","90","","2373.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Cl6 Gd2 N4 O6 -","- C44 H48 Cl6 Gd2 N4 O6 -","- C88 H96 Cl12 Gd4 N8 O12 -","2","0.5","","Yang, Fen; Zhou, Qi; Zeng, Guang; Li, Guanghua; Gao, Lu; Shi, Zhan; Feng, Shouhua","Anion effects on the structures and magnetic properties of binuclear lanthanide single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1238","1245","10.1039/c3dt52634h","","","0.71073","MoKα","","0.0314","0.0274","","","0.0617","0.0632","","","","","","1.076","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028624","6.3833","0.0001","28.5636","0.0006","15.9512","0.0003","90","","98.391","0.002","90","","2877.25","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Cl4 N3 Os -","- C27 H31 Cl4 N3 Os -","- C108 H124 Cl16 N12 Os4 -","4","1","","Kilpin, Kelly J.; Crot, Stéphanie; Riedel, Tina; Kitchen, Jonathan A.; Dyson, Paul J.","Ruthenium(II) and osmium(II) 1,2,3-triazolylidene organometallics: a preliminary investigation into the biological activity of 'click' carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1443","1448","10.1039/c3dt52584h","","","1.5418","CuKα","","0.0713","0.0641","","","0.1693","0.1732","","","","","","1.192","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028625","9.2991","0.0012","21.109","0.003","19.3786","0.0018","90","","104.356","0.005","90","","3685.1","0.8","293","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 Mn N6 O4 -","- C44 H28 Mn N6 O4 -","- C176 H112 Mn4 N24 O16 -","4","1","","Yang, Peng; Wang, Meng-Si; Shen, Jin-Jin; Li, Ming-Xing; Wang, Zhao-Xi; Shao, Min; He, Xiang","Seven novel coordination polymers constructed by rigid 4-(4-carboxyphenyl)-terpyridine ligands: synthesis, structural diversity, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1460","1470","10.1039/c3dt52500g","","","0.71073","MoKα","","0.1775","0.0625","","","0.0888","0.1105","","","","","","1.113","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028626","9.4561","0.0008","20.56","0.0018","19.48","0.0015","90","","105.539","0.003","90","","3648.8","0.5","293","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 Co N6 O4 -","- C44 H28 Co N6 O4 -","- C176 H112 Co4 N24 O16 -","4","1","","Yang, Peng; Wang, Meng-Si; Shen, Jin-Jin; Li, Ming-Xing; Wang, Zhao-Xi; Shao, Min; He, Xiang","Seven novel coordination polymers constructed by rigid 4-(4-carboxyphenyl)-terpyridine ligands: synthesis, structural diversity, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1460","1470","10.1039/c3dt52500g","","","0.71073","MoKα","","0.1174","0.0524","","","0.0709","0.0814","","","","","","1.236","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028627","10.6445","0.0011","17.4956","0.0018","30.022","0.003","98.411","0.002","91.251","0.002","96.172","0.002","5494.8","1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H90 Mn3 N18 O15 -","- C132 H84 Mn3 N18 O15 -","- C264 H168 Mn6 N36 O30 -","2","1","","Yang, Peng; Wang, Meng-Si; Shen, Jin-Jin; Li, Ming-Xing; Wang, Zhao-Xi; Shao, Min; He, Xiang","Seven novel coordination polymers constructed by rigid 4-(4-carboxyphenyl)-terpyridine ligands: synthesis, structural diversity, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1460","1470","10.1039/c3dt52500g","","","0.71073","MoKα","","0.177","0.1036","","","0.2783","0.3434","","","","","","1.03","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028628","7.2907","0.0013","26.677","0.005","12.932","0.002","90","","106.17","0.002","90","","2415.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Co N4 O6 -","- C26 H24 Co N4 O6 -","- C104 H96 Co4 N16 O24 -","4","1","","Yang, Peng; Wang, Meng-Si; Shen, Jin-Jin; Li, Ming-Xing; Wang, Zhao-Xi; Shao, Min; He, Xiang","Seven novel coordination polymers constructed by rigid 4-(4-carboxyphenyl)-terpyridine ligands: synthesis, structural diversity, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1460","1470","10.1039/c3dt52500g","","","0.71073","MoKα","","0.1444","0.0938","","","0.1647","0.1855","","","","","","1.143","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028629","16.7661","0.0015","14.0696","0.0013","20.4444","0.0019","90","","90","","90","","4822.7","0.8","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C48 H44 Cl4 N6 O7 Zn2 -","- C48 H31 Cl4 N6 O7 Zn2 -","- C192 H124 Cl16 N24 O28 Zn8 -","4","0.5","","Yang, Peng; Wang, Meng-Si; Shen, Jin-Jin; Li, Ming-Xing; Wang, Zhao-Xi; Shao, Min; He, Xiang","Seven novel coordination polymers constructed by rigid 4-(4-carboxyphenyl)-terpyridine ligands: synthesis, structural diversity, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1460","1470","10.1039/c3dt52500g","","","0.71073","MoKα","","0.0723","0.0478","","","0.1287","0.1472","","","","","","1.041","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028630","11.7024","0.0015","18.389","0.002","20.506","0.003","113.866","0.001","101.406","0.002","95.164","0.002","3884","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H64 Co4 N12 O18 -","- C92 H60 Co4 N12 O18 -","- C184 H120 Co8 N24 O36 -","2","1","","Yang, Peng; Wang, Meng-Si; Shen, Jin-Jin; Li, Ming-Xing; Wang, Zhao-Xi; Shao, Min; He, Xiang","Seven novel coordination polymers constructed by rigid 4-(4-carboxyphenyl)-terpyridine ligands: synthesis, structural diversity, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1460","1470","10.1039/c3dt52500g","","","0.71073","MoKα","","0.0659","0.041","","","0.0998","0.1107","","","","","","1.021","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028631","9.962","0.004","10.641","0.004","17.524","0.007","86.709","0.005","79.071","0.005","66.811","0.003","1676.3","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 Mn N6 O4 -","- C44 H28 Mn N6 O4 -","- C88 H56 Mn2 N12 O8 -","2","1","","Yang, Peng; Wang, Meng-Si; Shen, Jin-Jin; Li, Ming-Xing; Wang, Zhao-Xi; Shao, Min; He, Xiang","Seven novel coordination polymers constructed by rigid 4-(4-carboxyphenyl)-terpyridine ligands: synthesis, structural diversity, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1460","1470","10.1039/c3dt52500g","","","0.71073","MoKα","","0.1392","0.1155","","","0.349","0.3815","","","","","","1.453","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028632","11.523","0.005","11.542","0.005","17.423","0.008","88.111","0.007","83.839","0.007","59.901","0.006","1992.6","1.5","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H112 B2 N12 Na2 O4 S6 -","- C82 H112 B2 N12 Na2 O4 S6 -","- C82 H112 B2 N12 Na2 O4 S6 -","1","0.5","","Rong, Yi; Palmer, Joshua H.; Parkin, Gerard","Benzannulated tris(2-mercapto-1-imidazolyl)hydroborato ligands: tetradentate κ4-S3H binding and access to monomeric monovalent thallium in an [S3] coordination environment.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1397","1407","10.1039/c3dt52418c","","","0.71073","MoKα","","0.1378","0.0802","","","0.165","0.1901","","","","","","1.033","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028633","15.7585","0.0012","15.7585","0.0012","52.744","0.004","90","","90","","120","","11343.1","1.5","130","2","130","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H46 B K N6 O4 S3 -","- C33 H40 B K N6 O3 S3 -","- C396 H480 B12 K12 N72 O36 S36 -","12","0.666667","","Rong, Yi; Palmer, Joshua H.; Parkin, Gerard","Benzannulated tris(2-mercapto-1-imidazolyl)hydroborato ligands: tetradentate κ4-S3H binding and access to monomeric monovalent thallium in an [S3] coordination environment.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1397","1407","10.1039/c3dt52418c","","","0.71073","MoKα","","0.0696","0.044","","","0.1149","0.1237","","","","","","1.025","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028634","17.793","0.004","17.793","0.004","20.084","0.005","90","","90","","120","","5507","2","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H43 B N6 S3 Tl -","- C36 H43 B N6 S3 Tl -","- C216 H258 B6 N36 S18 Tl6 -","6","0.333333","","Rong, Yi; Palmer, Joshua H.; Parkin, Gerard","Benzannulated tris(2-mercapto-1-imidazolyl)hydroborato ligands: tetradentate κ4-S3H binding and access to monomeric monovalent thallium in an [S3] coordination environment.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1397","1407","10.1039/c3dt52418c","","","0.71073","MoKα","","0.0833","0.0444","","","0.072","0.079","","","","","","0.974","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7028635","9.3299","0.0007","12.4112","0.001","21.2348","0.0017","90","","94.225","0.001","90","","2452.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 B N6 S3 Tl -","- C24 H22 B N6 S3 Tl -","- C96 H88 B4 N24 S12 Tl4 -","4","1","","Rong, Yi; Palmer, Joshua H.; Parkin, Gerard","Benzannulated tris(2-mercapto-1-imidazolyl)hydroborato ligands: tetradentate κ4-S3H binding and access to monomeric monovalent thallium in an [S3] coordination environment.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1397","1407","10.1039/c3dt52418c","","","0.71073","MoKα","","0.0869","0.0435","","","0.0727","0.085","","","","","","1.019","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028636","12.235","0.0004","17.233","0.0008","13.4","0.0005","90","","96.642","0.002","90","","2806.37","0.19","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H34 Cl2 N2 O4 Ti -","- C29 H34 Cl2 N2 O4 Ti -","- C116 H136 Cl8 N8 O16 Ti4 -","4","1","","Hancock, Stuart L.; Gati, Rachel; Mahon, Mary F.; Tshuva, Edit Y.; Jones, Matthew D.","Heteroleptic titanium(IV) catecholato/piperazine systems and their anti-cancer properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1380","1385","10.1039/c3dt52583j","","","0.71073","MoKα","","0.1199","0.0684","","","0.1672","0.2017","","","","","","1.069","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7028637","12.778","0.0002","13.309","0.0002","16.464","0.0003","90","","101.097","0.001","90","","2747.56","0.08","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28.5 H32 Cl N3 O6 Ti -","- C28.5 H32 Cl N3 O6 Ti -","- C114 H128 Cl4 N12 O24 Ti4 -","4","1","","Hancock, Stuart L.; Gati, Rachel; Mahon, Mary F.; Tshuva, Edit Y.; Jones, Matthew D.","Heteroleptic titanium(IV) catecholato/piperazine systems and their anti-cancer properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1380","1385","10.1039/c3dt52583j","","","0.71073","MoKα","","0.0785","0.0638","","","0.1533","0.1664","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028638","19.8","0.0002","12.574","0.0002","30.736","0.0005","90","","103.808","0.001","90","","7431.05","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 Cl2 N2 O4 Ti -","- C37 H50 Cl2 N2 O4 Ti -","- C296 H400 Cl16 N16 O32 Ti8 -","8","2","","Hancock, Stuart L.; Gati, Rachel; Mahon, Mary F.; Tshuva, Edit Y.; Jones, Matthew D.","Heteroleptic titanium(IV) catecholato/piperazine systems and their anti-cancer properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1380","1385","10.1039/c3dt52583j","","","0.71073","MoKα","","0.1194","0.0867","","","0.2228","0.2455","","","","","","1.05","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028639","20.054","0.0005","18.667","0.0005","22.624","0.0006","90","","113.361","0.002","90","","7775","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H49 N3 O6 Ti -","- C43 H48 N3 O6 Ti -","- C344 H384 N24 O48 Ti8 -","8","2","","Hancock, Stuart L.; Gati, Rachel; Mahon, Mary F.; Tshuva, Edit Y.; Jones, Matthew D.","Heteroleptic titanium(IV) catecholato/piperazine systems and their anti-cancer properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1380","1385","10.1039/c3dt52583j","","","0.71073","MoKα","","0.083","0.0508","","","0.1209","0.1378","","","","","","1.055","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028640","13.8389","0.0014","18.353","0.0018","20.043","0.002","63.805","0.002","86.522","0.003","78.098","0.002","4466.9","0.8","291","2","291","2","","","","","","","","7","P 1","P 1","1","","","","- C76 H64 Cl4 Mn2 N12 O8 Ru2 -","- C76 H64 Cl4 Mn2 N12 O8 Ru2 -","- C152 H128 Cl8 Mn4 N24 O16 Ru4 -","2","2","","Ru, Jing; Gao, Feng; Wu, Tao; Yao, Min-Xia; Li, Yi-Zhi; Zuo, Jing-Lin","Enantiopure heterobimetallic single-chain magnets from the chiral Ru(III) building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","933","936","10.1039/c3dt52951g","","","0.71073","MoKα","","0.0563","0.054","","","0.139","0.1398","","","","","","1.038","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028641","14.04","0.002","18.233","0.0019","20.1182","0.0013","65.524","0.002","87.796","0.003","78.23","0.003","4582.6","0.9","291","2","291","2","","","","","","","","7","P 1","P 1","1","","","","- C76 H64 Cl4 Mn2 N12 O8 Ru2 -","- C76 H64 Cl4 Mn2 N12 O8 Ru2 -","- C152 H128 Cl8 Mn4 N24 O16 Ru4 -","2","2","","Ru, Jing; Gao, Feng; Wu, Tao; Yao, Min-Xia; Li, Yi-Zhi; Zuo, Jing-Lin","Enantiopure heterobimetallic single-chain magnets from the chiral Ru(III) building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","933","936","10.1039/c3dt52951g","","","0.71073","MoKα","","0.0491","0.0497","","","0.1185","0.1184","","","","","","1.027","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028642","16.7744","0.0015","17.5872","0.0016","28.665","0.003","90","","94.248","0.003","90","","8433.4","1.4","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H88 Cd2 Cl8 Mg N28 O36 -","- C42 H42 Cd2 Cl8 Mg N28 O17 -","- C168 H168 Cd8 Cl32 Mg4 N112 O68 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Dong, Nan; Tao, Zhu","[CdCl4]2- anion-induced coordination of alkaline earth metal ions to cucurbit[7]uril, corresponding supramolecular self-assemblies and potential application.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","929","932","10.1039/c3dt52213j","","","0.71073","MoKα","","0.0693","0.0487","","","0.1326","0.1415","","","","","","0.948","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028643","17.07","0.003","17.24","0.003","28.56","0.005","90","","90","","90","","8405","3","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H94 Ca2 Cd2 Cl8 N28 O40 -","- C42 H42 Ca2 Cd2 Cl8 N28 O18 -","- C168 H168 Ca8 Cd8 Cl32 N112 O72 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Dong, Nan; Tao, Zhu","[CdCl4]2- anion-induced coordination of alkaline earth metal ions to cucurbit[7]uril, corresponding supramolecular self-assemblies and potential application.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","929","932","10.1039/c3dt52213j","","","0.71073","MoKα","","0.1056","0.0593","","","0.1403","0.1583","","","","","","0.891","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028644","16.8058","0.0019","17.638","0.002","29.047","0.004","90","","94.556","0.004","90","","8582.9","1.8","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H196 Cd4 Cl16 N56 O82 Sr3 -","- C84 H84 Cd4 Cl16 N56 O44 Sr3 -","- C168 H168 Cd8 Cl32 N112 O88 Sr6 -","2","0.5","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Dong, Nan; Tao, Zhu","[CdCl4]2- anion-induced coordination of alkaline earth metal ions to cucurbit[7]uril, corresponding supramolecular self-assemblies and potential application.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","929","932","10.1039/c3dt52213j","","","0.71073","MoKα","","0.1074","0.0632","","","0.1755","0.1935","","","","","","0.936","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028645","38.416","0.003","7.5479","0.0005","20.9677","0.0013","90","","120.4","0.001","90","","5243.9","0.6","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H30 Cl F6 N2 P Ru -","- C27 H30 Cl F6 N2 P Ru -","- C216 H240 Cl8 F48 N16 P8 Ru8 -","8","1","","Ganeshpandian, Mani; Loganathan, Rangasamy; Suresh, Eringathodi; Riyasdeen, Anvarbatcha; Akbarsha, Mohammad Abdulkadher; Palaniandavar, Mallayan","New ruthenium(II) arene complexes of anthracenyl-appended diazacycloalkanes: effect of ligand intercalation and hydrophobicity on DNA and protein binding and cleavage and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1203","1219","10.1039/c3dt51641e","","","0.71073","MoKα","","0.0403","0.0376","","","0.0852","0.0864","","","","","","1.199","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028646","15.8707","0.0002","19.8808","0.0002","20.3162","0.0002","90","","101.317","0.001","90","","6285.58","0.12","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H76 Cl2 F12 N4 P2 Ru2 -","- C62 H76 Cl2 F12 N4 P2 Ru2 -","- C248 H304 Cl8 F48 N16 P8 Ru8 -","4","1","","Ganeshpandian, Mani; Loganathan, Rangasamy; Suresh, Eringathodi; Riyasdeen, Anvarbatcha; Akbarsha, Mohammad Abdulkadher; Palaniandavar, Mallayan","New ruthenium(II) arene complexes of anthracenyl-appended diazacycloalkanes: effect of ligand intercalation and hydrophobicity on DNA and protein binding and cleavage and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1203","1219","10.1039/c3dt51641e","","","0.71073","MoKα","","0.0666","0.0431","","","0.1127","0.1213","","","","","","1.113","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028647","20.6176","0.0002","11.0391","0.0001","8.7929","0.0001","90","","90","","90","","2001.26","0.03","295","2","295","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H28 Cl F6 N2 P Ru -","- C16 H28 Cl F6 N2 P Ru -","- C64 H112 Cl4 F24 N8 P4 Ru4 -","4","1","","Ganeshpandian, Mani; Loganathan, Rangasamy; Suresh, Eringathodi; Riyasdeen, Anvarbatcha; Akbarsha, Mohammad Abdulkadher; Palaniandavar, Mallayan","New ruthenium(II) arene complexes of anthracenyl-appended diazacycloalkanes: effect of ligand intercalation and hydrophobicity on DNA and protein binding and cleavage and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1203","1219","10.1039/c3dt51641e","","","0.71073","MoKα","","0.0222","0.0209","","","0.0499","0.0506","","","","","","1.047","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028648","15.8707","0.0002","19.8808","0.0002","20.3162","0.0002","90","","101.317","0.001","90","","6285.58","0.12","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H76 Cl2 F12 N4 P2 Ru2 -","- C62 H76 Cl2 F12 N4 P2 Ru2 -","- C248 H304 Cl8 F48 N16 P8 Ru8 -","4","1","","Ganeshpandian, Mani; Loganathan, Rangasamy; Suresh, Eringathodi; Riyasdeen, Anvarbatcha; Akbarsha, Mohammad Abdulkadher; Palaniandavar, Mallayan","New ruthenium(II) arene complexes of anthracenyl-appended diazacycloalkanes: effect of ligand intercalation and hydrophobicity on DNA and protein binding and cleavage and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1203","1219","10.1039/c3dt51641e","","","0.71073","MoKα","","0.0601","0.0366","","","0.0858","0.0927","","","","","","1.067","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028649","12.4204","0.0006","20.4162","0.0007","14.9983","0.0006","90","","93.042","0.004","90","","3797.9","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80.5 H70.5 Fe2 Mn2 N17.5 O7.5 -","- C80.5 H70.5 Fe2 Mn2 N17.5 O7.5 -","- C161 H141 Fe4 Mn4 N35 O15 -","2","1","","Zhang, Daopeng; Bian, Yongzhong; Qin, Jie; Wang, Ping; Chen, Xia","The supramolecular interaction mediated chiral 1D cyanide-bridged metamagnet: synthesis, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","945","949","10.1039/c3dt52996g","","","0.71073","MoKα","","0.0719","0.0527","","","0.1251","0.1385","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028650","12.408","0.0006","20.4024","0.0009","15.0189","0.0009","90","","92.969","0.005","90","","3797","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80.5 H70.5 Fe2 Mn2 N17.5 O7.5 -","- C80.5 H70.5 Fe2 Mn2 N17.5 O7.5 -","- C161 H141 Fe4 Mn4 N35 O15 -","2","1","","Zhang, Daopeng; Bian, Yongzhong; Qin, Jie; Wang, Ping; Chen, Xia","The supramolecular interaction mediated chiral 1D cyanide-bridged metamagnet: synthesis, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","945","949","10.1039/c3dt52996g","","","0.71073","MoKα","","0.1348","0.0934","","","0.2226","0.2692","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028651","17.106","0.004","12.42","0.003","17.628","0.004","90","","93.337","0.005","90","","3738.8","1.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C77 H96 N6 O12 Y2 -","- C77 H96 N6 O12 Y2 -","- C154 H192 N12 O24 Y4 -","2","1","","Aspinall, Helen C.; Bacsa, John; Beckingham, Oliver D.; Eden, Edward G. B.; Greeves, Nicholas; Hobbs, Matthew D.; Potjewyd, Frances; Schmidtmann, Marc; Thomas, Christopher D.","Adding the right (or left) twist to tris-chelate complexes‒coordination chemistry of chiral oxazolylphenolates with M3+ ions (M = Al or lanthanide).","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1434","1442","10.1039/c3dt52366g","","","0.71073","MoKα","","0.1487","0.0945","","","0.2033","0.2271","","","","","","1.046","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028652","10.493","0.011","18.64","0.02","18.64","0.02","90","","90","","90","","3646","7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H48 N3 O6 Yb -","- C39 H48 N3 O6 Yb -","- C156 H192 N12 O24 Yb4 -","4","1","","Aspinall, Helen C.; Bacsa, John; Beckingham, Oliver D.; Eden, Edward G. B.; Greeves, Nicholas; Hobbs, Matthew D.; Potjewyd, Frances; Schmidtmann, Marc; Thomas, Christopher D.","Adding the right (or left) twist to tris-chelate complexes‒coordination chemistry of chiral oxazolylphenolates with M3+ ions (M = Al or lanthanide).","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1434","1442","10.1039/c3dt52366g","","","0.71073","MoKα","","0.0353","0.0333","","","0.073","0.0734","","","","","","1.039","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028653","12.485","0.0006","12.6993","0.0006","13.517","0.0007","83.416","0.001","75.649","0.001","86.307","0.001","2061.12","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C43 H56 Al N3 O7 -","- C43 H56 Al N3 O7 -","- C86 H112 Al2 N6 O14 -","2","2","","Aspinall, Helen C.; Bacsa, John; Beckingham, Oliver D.; Eden, Edward G. B.; Greeves, Nicholas; Hobbs, Matthew D.; Potjewyd, Frances; Schmidtmann, Marc; Thomas, Christopher D.","Adding the right (or left) twist to tris-chelate complexes‒coordination chemistry of chiral oxazolylphenolates with M3+ ions (M = Al or lanthanide).","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1434","1442","10.1039/c3dt52366g","","","0.71073","MoKα","","0.0414","0.0373","","","0.0868","0.0897","","","","","","1.017","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028654","9.9787","0.0009","18.6883","0.0017","24.482","0.002","90","","90","","90","","4565.5","0.7","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H45 Al N6 O6 -","- C42 H45 Al N6 O6 -","- C168 H180 Al4 N24 O24 -","4","1","","Aspinall, Helen C.; Bacsa, John; Beckingham, Oliver D.; Eden, Edward G. B.; Greeves, Nicholas; Hobbs, Matthew D.; Potjewyd, Frances; Schmidtmann, Marc; Thomas, Christopher D.","Adding the right (or left) twist to tris-chelate complexes‒coordination chemistry of chiral oxazolylphenolates with M3+ ions (M = Al or lanthanide).","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1434","1442","10.1039/c3dt52366g","","","0.71073","MoKα","","0.0629","0.0487","","","0.1011","0.1061","","","","","","1.007","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028655","17.708","0.002","15.631","0.002","16.899","0.002","90","","95.357","0.003","90","","4657.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H49 Al N3 O7 -","- C49 H48 Al N3 O7 -","- C196 H192 Al4 N12 O28 -","4","1","","Aspinall, Helen C.; Bacsa, John; Beckingham, Oliver D.; Eden, Edward G. B.; Greeves, Nicholas; Hobbs, Matthew D.; Potjewyd, Frances; Schmidtmann, Marc; Thomas, Christopher D.","Adding the right (or left) twist to tris-chelate complexes‒coordination chemistry of chiral oxazolylphenolates with M3+ ions (M = Al or lanthanide).","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1434","1442","10.1039/c3dt52366g","","","0.71073","MoKα","","0.1093","0.0655","","","0.1612","0.1801","","","","","","0.996","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028656","13.64","0.002","10.6561","0.0015","14.196","0.002","90","","95.13","0.004","90","","2055.1","0.5","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H48 Al N3 O6 -","- C48 H48 Al N3 O6 -","- C96 H96 Al2 N6 O12 -","2","1","","Aspinall, Helen C.; Bacsa, John; Beckingham, Oliver D.; Eden, Edward G. B.; Greeves, Nicholas; Hobbs, Matthew D.; Potjewyd, Frances; Schmidtmann, Marc; Thomas, Christopher D.","Adding the right (or left) twist to tris-chelate complexes‒coordination chemistry of chiral oxazolylphenolates with M3+ ions (M = Al or lanthanide).","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1434","1442","10.1039/c3dt52366g","","","0.71073","MoKα","","0.0917","0.0672","","","0.1747","0.1908","","","","","","1.004","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028657","10.7919","0.0002","11.4821","0.0002","13.1687","0.0003","71.268","0.001","70.574","0.001","84.408","0.001","1457.29","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[(EtOH)MesIm]2AgCl","","","- C28 H36 Ag Cl N4 O2 -","- C28 H36 Ag Cl N4 O2 -","- C56 H72 Ag2 Cl2 N8 O4 -","2","1","","Hameury, Sophie; de Frémont, Pierre; R Breuil, Pierre-Alain; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Synthesis and characterization of oxygen-functionalised-NHC silver(i) complexes and NHC transmetallation to nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4700","4710","10.1039/c3dt52773e","","x-ray","0.71073","MoKα","","0.0657","0.0476","","","0.1382","0.1621","","","","","","1.077","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028658","17.7643","0.0009","8.9962","0.0007","13.1655","0.0007","90","","130.261","0.003","90","","1605.58","0.19","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(EtOH)MeIm]2AgCl","","","- C12 H20 Ag Cl N4 O2 -","- C12 H20 Ag Cl N4 O2 -","- C48 H80 Ag4 Cl4 N16 O8 -","4","0.5","","Hameury, Sophie; de Frémont, Pierre; R Breuil, Pierre-Alain; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Synthesis and characterization of oxygen-functionalised-NHC silver(i) complexes and NHC transmetallation to nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4700","4710","10.1039/c3dt52773e","","x-ray","0.71073","MoKα","","0.052","0.0361","","","0.0766","0.0845","","","","","","1.059","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028659","14.9628","0.0004","15.0822","0.0003","16.1788","0.0005","90","","90","","90","","3651.1","0.17","173","2","173","2","","","","","","","","6","P 21 2 21","P 2ac 2ac","18","[(EtOH)DiPPImH]2ClNiCl4","","","- C68 H100 Cl6 N8 Ni O4 -","- C68 H100 Cl6 N8 Ni O4 -","- C136 H200 Cl12 N16 Ni2 O8 -","2","0.5","","Hameury, Sophie; de Frémont, Pierre; R Breuil, Pierre-Alain; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Synthesis and characterization of oxygen-functionalised-NHC silver(i) complexes and NHC transmetallation to nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4700","4710","10.1039/c3dt52773e","","x-ray","0.71073","MoKα","","0.084","0.0637","","","0.0986","0.1029","","","","","","1.142","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028660","12.1561","0.0005","13.6336","0.0006","14.9663","0.0006","84.3002","0.0019","66.395","0.002","66.881","0.002","2085.38","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","[(EtOH)DiPPIm]2AgBF4","","","- C38 H58 Ag B F4 N4 O3 -","- C38 H58 Ag B F4 N4 O3 -","- C76 H116 Ag2 B2 F8 N8 O6 -","2","1","","Hameury, Sophie; de Frémont, Pierre; R Breuil, Pierre-Alain; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Synthesis and characterization of oxygen-functionalised-NHC silver(i) complexes and NHC transmetallation to nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4700","4710","10.1039/c3dt52773e","","x-ray","0.71073","MoKα","","0.1064","0.0678","","","0.1553","0.1706","","","","","","1.026","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028661","8.8012","0.0003","11.5154","0.0005","19.3453","0.0012","97.641","0.002","102.77","0.003","92.692","0.003","1889.24","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[(EtOMe)DiPPIm]2AgCl","","","- C36 H54 Ag Cl N4 O3 -","- C36 H54 Ag Cl N4 O3 -","- C72 H108 Ag2 Cl2 N8 O6 -","2","1","","Hameury, Sophie; de Frémont, Pierre; R Breuil, Pierre-Alain; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Synthesis and characterization of oxygen-functionalised-NHC silver(i) complexes and NHC transmetallation to nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4700","4710","10.1039/c3dt52773e","","x-ray","0.71069","MoKα","","0.0788","0.0487","","","0.1059","0.1159","","","","","","1.079","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028662","8.8411","0.0003","19.1464","0.001","14.1647","0.0006","90","","125.638","0.003","90","","1948.67","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","IP[(EtOMe)DiPPIm]AgCl","","","- C18 H26 Ag Cl N2 O -","- C18 H26 Ag Cl N2 O -","- C72 H104 Ag4 Cl4 N8 O4 -","4","1","","Hameury, Sophie; de Frémont, Pierre; R Breuil, Pierre-Alain; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Synthesis and characterization of oxygen-functionalised-NHC silver(i) complexes and NHC transmetallation to nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4700","4710","10.1039/c3dt52773e","","x-ray","0.71069","MoKα","","0.1057","0.046","","","0.0942","0.1106","","","","","","1.001","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028663","28.655","0.003","8.0546","0.0008","16.2099","0.0017","90","","90","","90","","3741.3","0.7","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","(IPrEtOMe)2NiCl2","","","- C36 H52 Cl2 N4 Ni O2 -","- C36 H52 Cl2 N4 Ni O2 -","- C144 H208 Cl8 N16 Ni4 O8 -","4","1","","Hameury, Sophie; de Frémont, Pierre; R Breuil, Pierre-Alain; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Synthesis and characterization of oxygen-functionalised-NHC silver(i) complexes and NHC transmetallation to nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4700","4710","10.1039/c3dt52773e","","x-ray","0.71073","MoKα","","0.0401","0.0331","","","0.0833","0.0863","","","","","","1.073","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028664","19.5798","0.0005","19.7314","0.0009","12.239","0.0005","90","","126.049","0.002","90","","3823","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(EtOH)DiPPIm]2AgCl","","","- C35 H50 Ag Cl3 N4 O2 -","- C35 H50 Ag Cl3 N4 O2 -","- C140 H200 Ag4 Cl12 N16 O8 -","4","0.5","","Hameury, Sophie; de Frémont, Pierre; R Breuil, Pierre-Alain; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Synthesis and characterization of oxygen-functionalised-NHC silver(i) complexes and NHC transmetallation to nickel(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4700","4710","10.1039/c3dt52773e","","x-ray","0.71073","MoKα","","0.0634","0.0416","","","0.1213","0.1465","","","","","","1.092","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028665","16.315","0.004","12.127","0.003","11.43","0.002","90","","116.638","0.004","90","","2021.4","0.8","296","","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H18 N4 Nd2 O20 -","- C8 H11 N4 Nd2 O20 -","- C32 H44 N16 Nd8 O80 -","4","0.5","","De Almeida, Lucie; Grandjean, Stéphane; Rivenet, Murielle; Patisson, Fabrice; Abraham, Francis","Hydrazinium lanthanide oxalates: synthesis, structure and thermal reactivity of N2H5[Ln2(C2O4)4(N2H5)]·4H2O, Ln = Ce, Nd.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4680","4688","10.1039/c3dt52944d","","","0.71069","MoKα","","0.0559","0.0313","","","0.0295","0.0306","","","","2.28","2.28","1.98","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028666","11.3258","0.0009","11.3987","0.0008","16.8771","0.0011","85.284","0.006","87.65","0.006","60.504","0.008","1890","0.3","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C33 H37 B Br Cu2 N6 P S3 W -","- C33 H37 B Br Cu2 N6 P S3 W -","- C66 H74 B2 Br2 Cu4 N12 P2 S6 W2 -","2","1","","Zhou, Li-Kuan; Liu, Quan; Zhao, Xin; Hu, Fei-Long; Liu, Shu-Chen; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping","Six [Tp*WS3Cu2]-based clusters derived from [Et4N][Tp*WS3], Cu(i) salts and phosphine ligands: syntheses, structures and enhanced third-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4734","4744","10.1039/c3dt53320d","","","0.71073","MoKα","","0.0504","0.0375","","","0.0737","0.0801","","","","","","1","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028667","10.3725","0.0006","15.9248","0.0008","16.9548","0.0008","77.783","0.004","79.692","0.004","79.364","0.004","2661.5","0.2","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C88 H101 B2 Cu4 N15 O P4 S8 W2 -","- C88 H101 B2 Cu4 N15 O P4 S8 W2 -","- C88 H101 B2 Cu4 N15 O P4 S8 W2 -","1","0.5","","Zhou, Li-Kuan; Liu, Quan; Zhao, Xin; Hu, Fei-Long; Liu, Shu-Chen; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping","Six [Tp*WS3Cu2]-based clusters derived from [Et4N][Tp*WS3], Cu(i) salts and phosphine ligands: syntheses, structures and enhanced third-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4734","4744","10.1039/c3dt53320d","","","0.71073","MoKα","","0.0765","0.0573","","","0.1403","0.1522","","","","","","1.067","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028668","16.1727","0.0005","20.7446","0.0005","16.2709","0.0005","90","","90","","90","","5458.8","0.3","223","2","223","2","","","","","","","","9","C m c 21","C 2c -2","36","","","","- C44.5 H51.75 B Cu2 F6 N7.25 P3 S5 W -","- C42 H48 B Cu2 F6 N6 P3 S5 W -","- C168 H192 B4 Cu8 F24 N24 P12 S20 W4 -","4","0.5","","Zhou, Li-Kuan; Liu, Quan; Zhao, Xin; Hu, Fei-Long; Liu, Shu-Chen; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping","Six [Tp*WS3Cu2]-based clusters derived from [Et4N][Tp*WS3], Cu(i) salts and phosphine ligands: syntheses, structures and enhanced third-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4734","4744","10.1039/c3dt53320d","","","0.71073","MoKα","","0.0384","0.0349","","","0.0895","0.0924","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028669","12.9289","0.0005","14.5593","0.0005","16.3703","0.0006","89.523","0.001","89.663","0.001","71.548","0.001","2922.94","0.19","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C52 H59 B Cu2 F6 N11 P3 S3 W -","- C52 H59 B Cu2 F6 N11 P3 S3 W -","- C104 H118 B2 Cu4 F12 N22 P6 S6 W2 -","2","1","","Zhou, Li-Kuan; Liu, Quan; Zhao, Xin; Hu, Fei-Long; Liu, Shu-Chen; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping","Six [Tp*WS3Cu2]-based clusters derived from [Et4N][Tp*WS3], Cu(i) salts and phosphine ligands: syntheses, structures and enhanced third-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4734","4744","10.1039/c3dt53320d","","","0.71073","MoKα","","0.0234","0.021","","","0.0505","0.0517","","","","","","1.03","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028670","13.0992","0.0003","18.1283","0.0004","22.0485","0.0005","90","","90.89","0.002","90","","5235.1","0.2","223","2","223","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C88 H106 B2 Cu4 F12 N14 O P6 S6 W2 -","- C88 H106 B2 Cu4 F12 N14 O P6 S6 W2 -","- C176 H212 B4 Cu8 F24 N28 O2 P12 S12 W4 -","2","0.5","","Zhou, Li-Kuan; Liu, Quan; Zhao, Xin; Hu, Fei-Long; Liu, Shu-Chen; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping","Six [Tp*WS3Cu2]-based clusters derived from [Et4N][Tp*WS3], Cu(i) salts and phosphine ligands: syntheses, structures and enhanced third-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4734","4744","10.1039/c3dt53320d","","","0.71073","MoKα","","0.0615","0.045","","","0.1113","0.1199","","","","","","1.102","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028671","12.9136","0.0007","13.6447","0.0008","14.9557","0.0009","83.53","0.002","86.989","0.002","81.579","0.002","2588.5","0.3","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C90.5 H99.75 B2 Cu4 F12 N15.25 P6 S6 W2 -","- C88 H96 B2 Cu4 F12 N14 P6 S6 W2 -","- C88 H96 B2 Cu4 F12 N14 P6 S6 W2 -","1","0.5","","Zhou, Li-Kuan; Liu, Quan; Zhao, Xin; Hu, Fei-Long; Liu, Shu-Chen; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping","Six [Tp*WS3Cu2]-based clusters derived from [Et4N][Tp*WS3], Cu(i) salts and phosphine ligands: syntheses, structures and enhanced third-order NLO properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4734","4744","10.1039/c3dt53320d","","","0.71073","MoKα","","0.0307","0.0256","","","0.0578","0.0594","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028672","9.2106","0.0012","9.2106","0.0012","19.705","0.005","90","","90","","120","","1447.7","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- B12 K3 Li9 O24 -","- B12 K3 Li9 O24 -","- B36 K9 Li27 O72 -","3","0.166667","","Wu, Hongping; Yu, Hongwei; Pan, Shilie; Jiao, Anqing; Han, Jian; Wu, Kui; Han, Shujuan; Li, Hongyi","New type of complex alkali and alkaline earth metal borates with isolated (B12O24)(12-) anionic group.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4886","4891","10.1039/c3dt53115e","","","0.71073","MoKα","","0.0257","0.0236","","","0.0632","0.0646","","","","","","1.167","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7028673","9.677","0.004","9.677","0.004","24.3","0.02","90","","90","","120","","1971","2","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- B12 Cl F6 Li Na2 O24 Sr8 -","- B12 Cl F6 Li Na2 O24 Sr8 -","- B36 Cl3 F18 Li3 Na6 O72 Sr24 -","3","0.166667","","Wu, Hongping; Yu, Hongwei; Pan, Shilie; Jiao, Anqing; Han, Jian; Wu, Kui; Han, Shujuan; Li, Hongyi","New type of complex alkali and alkaline earth metal borates with isolated (B12O24)(12-) anionic group.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4886","4891","10.1039/c3dt53115e","","","0.71073","MoKα","","0.0448","0.03","","","0.0557","0.0616","","","","","","1.013","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028674","17.1902","0.001","29.7214","0.0018","16.0823","0.0006","90","","98.722","0.005","90","","8121.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H40 Cd2 N4 O12 -","- C64 H40 Cd2 N4 O12 -","- C256 H160 Cd8 N16 O48 -","4","1","","Fu, Hong-Ru; Wang, Fei; Zhang, Jian","The photoluminescence and gas sorption properties of three Cd(ii) MOFs based on 1,3,5-benzenetribenzoate with -NH2 or -OH groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4668","4673","10.1039/c3dt52940a","","","0.71073","MoKα","","0.1077","0.0775","","","0.2213","0.2501","","","","","","1.051","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028675","17.0229","0.0008","29.8118","0.001","16.1301","0.0006","90","","99.179","0.004","90","","8080.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H28 Cd2 N2 O14 -","- C64 H28 Cd2 N2 O14 -","- C256 H112 Cd8 N8 O56 -","4","1","","Fu, Hong-Ru; Wang, Fei; Zhang, Jian","The photoluminescence and gas sorption properties of three Cd(ii) MOFs based on 1,3,5-benzenetribenzoate with -NH2 or -OH groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4668","4673","10.1039/c3dt52940a","","","0.71073","MoKα","","0.0984","0.0677","","","0.187","0.2037","","","","","","1.059","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028676","9.3028","0.0005","14.9043","0.0007","15.2092","0.0007","70.594","0.004","83.472","0.004","84.978","0.004","1973.29","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H32 Cd3 N2 O14 -","- C54 H32 Cd3 N2 O14 -","- C54 H32 Cd3 N2 O14 -","1","0.5","","Fu, Hong-Ru; Wang, Fei; Zhang, Jian","The photoluminescence and gas sorption properties of three Cd(ii) MOFs based on 1,3,5-benzenetribenzoate with -NH2 or -OH groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4668","4673","10.1039/c3dt52940a","","","1.54178","CuKα","","0.0515","0.0485","","","0.1317","0.1342","","","","","","1.063","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028677","16.381","0.0005","5.106","0.0001","13.322","0.0004","90","","90","","90","","1114.27","0.05","120","0.1","120","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C2 H10 I2 N4 O S2 -","- C2 H10 I2 N4 O S2 -","- C8 H40 I8 N16 O4 S8 -","4","0.5","","Biesiada, M.; Kourkoumelis, N.; Kubicki, M.; Owczarzak, A. M.; Balas, V.; Hadjikakou, S. K.","Fundamental chemistry of iodine. The reaction of di-iodine towards thiourea and its methyl-derivative: formation of aminothiazoles and aminothiadiazoles through dicationic disulfides.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4790","4806","10.1039/c3dt53302f","","","1.5418","CuKα","","0.023","0.0218","","","0.0581","0.059","","","","","","1.064","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028678","9.6516","0.0003","9.7546","0.0002","13.823","0.0005","90","","109.653","0.004","90","","1225.59","0.07","129.9","0.2","129.9","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Cl I5 N8 S4 -","- C4 H16 Cl I5 N8 S4 -","- C8 H32 Cl2 I10 N16 S8 -","2","0.5","","Biesiada, M.; Kourkoumelis, N.; Kubicki, M.; Owczarzak, A. M.; Balas, V.; Hadjikakou, S. K.","Fundamental chemistry of iodine. The reaction of di-iodine towards thiourea and its methyl-derivative: formation of aminothiazoles and aminothiadiazoles through dicationic disulfides.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4790","4806","10.1039/c3dt53302f","","","1.5418","CuKα","","0.0467","0.0444","","","0.1355","0.1378","","","","","","1.099","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028679","7.5529","0.0002","13.2275","0.0004","9.1452","0.0002","90","","98.689","0.002","90","","903.17","0.04","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H5 I3 N2 S -","- C H5 I3 N2 S -","- C4 H20 I12 N8 S4 -","4","1","","Biesiada, M.; Kourkoumelis, N.; Kubicki, M.; Owczarzak, A. M.; Balas, V.; Hadjikakou, S. K.","Fundamental chemistry of iodine. The reaction of di-iodine towards thiourea and its methyl-derivative: formation of aminothiazoles and aminothiadiazoles through dicationic disulfides.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4790","4806","10.1039/c3dt53302f","","","0.7107","MoKα","","0.0196","0.0167","","","0.0376","0.0383","","","","","","1.18","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028680","9.8698","0.0002","12.0775","0.0003","12.9332","0.0003","90","","109.83","0.003","90","","1450.25","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 Br I3 N4 S2 -","- C2 H8 Br I3 N4 S2 -","- C8 H32 Br4 I12 N16 S8 -","4","1","","Biesiada, M.; Kourkoumelis, N.; Kubicki, M.; Owczarzak, A. M.; Balas, V.; Hadjikakou, S. K.","Fundamental chemistry of iodine. The reaction of di-iodine towards thiourea and its methyl-derivative: formation of aminothiazoles and aminothiadiazoles through dicationic disulfides.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4790","4806","10.1039/c3dt53302f","","","1.5418","CuKα","","0.0443","0.0427","","","0.116","0.1179","","","","","","1.05","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028681","8.6389","0.0011","5.0436","0.0006","12.3817","0.0016","90","","99.551","0.012","90","","532.01","0.12","130","0.1","130","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C2 H10 Br2 N4 O S2 -","- C2 H10 Br2 N4 O S2 -","- C4 H20 Br4 N8 O2 S4 -","2","0.5","","Biesiada, M.; Kourkoumelis, N.; Kubicki, M.; Owczarzak, A. M.; Balas, V.; Hadjikakou, S. K.","Fundamental chemistry of iodine. The reaction of di-iodine towards thiourea and its methyl-derivative: formation of aminothiazoles and aminothiadiazoles through dicationic disulfides.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4790","4806","10.1039/c3dt53302f","","","1.5418","CuKα","","0.0406","0.0396","","","0.121","0.1221","","","","","","1.185","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028682","4.5455","0.0002","8.6436","0.0003","9.5497","0.0003","113.7","0.003","94.02","0.003","103.347","0.003","328.64","0.02","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C2 H5 I N4 S -","- C2 H5 I N4 S -","- C4 H10 I2 N8 S2 -","2","1","","Biesiada, M.; Kourkoumelis, N.; Kubicki, M.; Owczarzak, A. M.; Balas, V.; Hadjikakou, S. K.","Fundamental chemistry of iodine. The reaction of di-iodine towards thiourea and its methyl-derivative: formation of aminothiazoles and aminothiadiazoles through dicationic disulfides.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4790","4806","10.1039/c3dt53302f","","","0.7107","MoKα","","0.0192","0.0173","","","0.0413","0.0419","","","","","","1.073","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028683","11.315","0.0013","11.134","0.002","21.9321","0.0015","90","","90","","90","","2763","0.6","295","2","295","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C8 H24 Br2 I4 N8 S4 -","- C8 H24 Br2 I4 N8 S4 -","- C32 H96 Br8 I16 N32 S16 -","4","","","Biesiada, M.; Kourkoumelis, N.; Kubicki, M.; Owczarzak, A. M.; Balas, V.; Hadjikakou, S. K.","Fundamental chemistry of iodine. The reaction of di-iodine towards thiourea and its methyl-derivative: formation of aminothiazoles and aminothiadiazoles through dicationic disulfides.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4790","4806","10.1039/c3dt53302f","","","0.7107","MoKα","","0.0743","0.0488","","","0.1199","0.1311","","","","","","1.087","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028684","7.053","0.0004","8.5003","0.0005","8.6957","0.0005","114.89","0.005","91.954","0.005","99.007","0.005","464.16","0.05","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C5 H11 I N2 O S -","- C5 H11 I N2 O S -","- C10 H22 I2 N4 O2 S2 -","2","1","","Biesiada, M.; Kourkoumelis, N.; Kubicki, M.; Owczarzak, A. M.; Balas, V.; Hadjikakou, S. K.","Fundamental chemistry of iodine. The reaction of di-iodine towards thiourea and its methyl-derivative: formation of aminothiazoles and aminothiadiazoles through dicationic disulfides.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4790","4806","10.1039/c3dt53302f","","","0.7107","MoKα","","0.0244","0.0229","","","0.0604","0.061","","","","","","1.081","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028685","12.6402","0.0004","13.777","0.0008","14.1348","0.0005","90","","90","","90","","2461.49","0.18","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 I3 N4 S -","- C4 H9 I3 N4 S -","- C32 H72 I24 N32 S8 -","8","1","","Biesiada, M.; Kourkoumelis, N.; Kubicki, M.; Owczarzak, A. M.; Balas, V.; Hadjikakou, S. K.","Fundamental chemistry of iodine. The reaction of di-iodine towards thiourea and its methyl-derivative: formation of aminothiazoles and aminothiadiazoles through dicationic disulfides.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4790","4806","10.1039/c3dt53302f","","","0.7107","MoKα","","0.0564","0.0367","","","0.0635","0.0716","","","","","","1.04","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028686","12.3061","0.0011","21.499","0.002","20.0063","0.0018","90","","92.042","0.005","90","","5289.7","0.8","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 D6 Mg N4 O -","- C60 H80 Mg N4 O -","- C240 H320 Mg4 N16 O4 -","4","1","","Moxey, Graeme J.; Ortu, Fabrizio; Goldney Sidley, Leon; Strandberg, Helen N.; Blake, Alexander J.; Lewis, William; Kays, Deborah L.","Synthesis and characterisation of magnesium complexes containing sterically demanding N,N'-bis(aryl)amidinate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4838","4846","10.1039/c3dt53234h","","","0.71073","MoKα","","0.1063","0.0649","","","0.1418","0.1622","","","","","","1.024","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028687","12.3036","0.0002","24.7484","0.0004","20.4769","0.0004","90","","95.9387","0.0017","90","","6201.64","0.19","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H104 Mg N4 -","- C62 H90 Mg N4 -","- C248 H360 Mg4 N16 -","4","1","","Moxey, Graeme J.; Ortu, Fabrizio; Goldney Sidley, Leon; Strandberg, Helen N.; Blake, Alexander J.; Lewis, William; Kays, Deborah L.","Synthesis and characterisation of magnesium complexes containing sterically demanding N,N'-bis(aryl)amidinate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4838","4846","10.1039/c3dt53234h","","","1.54184","CuKα","","0.0894","0.0723","","","0.2013","0.2139","","","","","","1.064","","","","has coordinates","288156","2023-12-07","18:40:59",""
"7028688","12.5731","0.00017","29.1302","0.0004","15.8661","0.0002","90","","112.189","0.0016","90","","5380.7","0.14","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H70 Mg N4 O2 -","- C54 H62 Mg N4 O -","- C216 H248 Mg4 N16 O4 -","4","1","","Moxey, Graeme J.; Ortu, Fabrizio; Goldney Sidley, Leon; Strandberg, Helen N.; Blake, Alexander J.; Lewis, William; Kays, Deborah L.","Synthesis and characterisation of magnesium complexes containing sterically demanding N,N'-bis(aryl)amidinate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4838","4846","10.1039/c3dt53234h","","","1.54184","CuKα","","0.0478","0.0403","","","0.1103","0.1148","","","","","","1.082","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028689","16.6334","0.0011","12.9516","0.0009","26.301","0.0018","90","","101.876","0.007","90","","5544.7","0.7","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H78 Mg N4 O2 -","- C62 H78 Mg N4 O2 -","- C248 H312 Mg4 N16 O8 -","4","1","","Moxey, Graeme J.; Ortu, Fabrizio; Goldney Sidley, Leon; Strandberg, Helen N.; Blake, Alexander J.; Lewis, William; Kays, Deborah L.","Synthesis and characterisation of magnesium complexes containing sterically demanding N,N'-bis(aryl)amidinate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4838","4846","10.1039/c3dt53234h","","","1.54184","CuKα","","0.0638","0.0522","","","0.1376","0.1467","","","","","","1.038","","","","has coordinates","288156","2023-12-07","18:40:59",""
"7028690","18.2661","0.0003","18.2865","0.0002","19.1208","0.0002","90","","103.666","0.0013","90","","6205.98","0.14","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H94 Mg N4 O -","- C70 H94 Mg N4 O -","- C280 H376 Mg4 N16 O4 -","4","1","","Moxey, Graeme J.; Ortu, Fabrizio; Goldney Sidley, Leon; Strandberg, Helen N.; Blake, Alexander J.; Lewis, William; Kays, Deborah L.","Synthesis and characterisation of magnesium complexes containing sterically demanding N,N'-bis(aryl)amidinate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4838","4846","10.1039/c3dt53234h","","","1.54184","CuKα","","0.1063","0.098","","","0.2393","0.2431","","","","","","1.15","","","","has coordinates","288156","2023-12-07","18:40:59",""
"7028691","27.799","0.003","8.4747","0.0005","23.577","0.002","90","","127.226","0.015","90","","4422.8","1.1","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H32 N2 -","- C27 H32 N2 -","- C216 H256 N16 -","8","1","","Moxey, Graeme J.; Ortu, Fabrizio; Goldney Sidley, Leon; Strandberg, Helen N.; Blake, Alexander J.; Lewis, William; Kays, Deborah L.","Synthesis and characterisation of magnesium complexes containing sterically demanding N,N'-bis(aryl)amidinate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4838","4846","10.1039/c3dt53234h","","x-ray","1.5418","CuKα","K-L~2,3~","0.1009","0.0826","","","0.2253","0.251","","","","","","1.064","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028692","11.5654","0.0006","16.5227","0.0008","16.1572","0.0009","90","","109.525","0.003","90","","2910","0.3","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H44 N2 -","- C33 H44 N2 -","- C132 H176 N8 -","4","1","","Moxey, Graeme J.; Ortu, Fabrizio; Goldney Sidley, Leon; Strandberg, Helen N.; Blake, Alexander J.; Lewis, William; Kays, Deborah L.","Synthesis and characterisation of magnesium complexes containing sterically demanding N,N'-bis(aryl)amidinate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4838","4846","10.1039/c3dt53234h","","","0.71073","MoKα","","0.1165","0.0877","","","0.1695","0.1801","","","","","","1.147","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028693","9.5167","0.0005","22.4523","0.0012","21.4491","0.0012","90","","96.349","0.002","90","","4555","0.4","130","2","130","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C48 H43 Cl2 F3 N2 O3 P2 Ru S -","- C48 H43 Cl2 F3 N2 O3 P2 Ru S -","- C192 H172 Cl8 F12 N8 O12 P8 Ru4 S4 -","4","1","","Bera, Barun; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Dynamics of H-atom exchange in stable cis-dihydrogen/hydride complexes of ruthenium(ii) bearing phosphine and N-N bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4726","4733","10.1039/c3dt52575a","","","0.71073","MoKα","","0.0331","0.0265","","","0.064","0.0698","","","","","","1.073","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028694","5.5995","0.0002","13.5098","0.0004","22.2683","0.0008","90","","90","","90","","1684.56","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H13 B F2 N2 -","- C21 H13 B F2 N2 -","- C84 H52 B4 F8 N8 -","4","1","","Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.","The quenching of fluorescence as an indicator of donor-strength in meso arylethynyl BODIPYs.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4854","4861","10.1039/c3dt53056f","","","1.5418","CuKα","","0.0336","0.0281","","","0.0735","0.0788","","","","","","1.023","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028695","10.1059","0.0003","10.4411","0.0003","15.6091","0.0005","90","","100.699","0.003","90","","1618.39","0.09","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H13 B F2 N2 -","- C21 H13 B F2 N2 -","- C84 H52 B4 F8 N8 -","4","1","","Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.","The quenching of fluorescence as an indicator of donor-strength in meso arylethynyl BODIPYs.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4854","4861","10.1039/c3dt53056f","","","1.5418","CuKα","","0.0519","0.0427","","","0.1244","0.1387","","","","","","1.09","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028696","9.233","0.003","16.58","0.005","14.17","0.004","90","","91.545","0.007","90","","2168.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H62 N10 Ni2 O22 -","- C26 H62 N10 Ni2 O22 -","- C52 H124 N20 Ni4 O44 -","2","0.5","","Rhaman, Md Mhahabubur; Fronczek, Frank R.; Powell, Douglas R.; Hossain, Md Alamgir","Colourimetric and fluorescent detection of oxalate in water by a new macrocycle-based dinuclear nickel complex: a remarkable red shift of the fluorescence band.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4618","4621","10.1039/c3dt53467g","","","0.71073","MoKα","","0.0593","0.0413","","","0.0892","0.0962","","","","","","1.004","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7028697","8.9574","0.001","15.128","0.002","15.402","0.002","94.199","0.009","103.866","0.009","106.95","0.01","1915.1","0.4","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C30 H59.43 N6 Ni2 O16.85 -","- C30 H59.436 N6 Ni2 O16.859 -","- C60 H118.872 N12 Ni4 O33.718 -","2","1","","Rhaman, Md Mhahabubur; Fronczek, Frank R.; Powell, Douglas R.; Hossain, Md Alamgir","Colourimetric and fluorescent detection of oxalate in water by a new macrocycle-based dinuclear nickel complex: a remarkable red shift of the fluorescence band.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4618","4621","10.1039/c3dt53467g","","","1.54184","CuKα","","0.0709","0.0471","","","0.1097","0.1211","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7028698","23.6577","0.0012","23.6577","0.0012","5.8825","0.0004","90","","90","","90","","3292.4","0.3","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C10.46 H9.85 Cu0.31 Fe0.62 N0.62 O0.62 S1.23 -","- C10.4615 H9.84615 Cu0.307692 Fe0.615385 N0.615385 O0.615385 S1.23077 -","- C136 H128 Cu4 Fe8 N8 O8 S16 -","13","1.625","","Singh, Vikram; Chauhan, Ratna; Gupta, Ajit N.; Kumar, Vinod; Drew, Michael G. B.; Bahadur, Lal; Singh, Nanhai","Photosensitizing activity of ferrocenyl bearing Ni(ii) and Cu(ii) dithiocarbamates in dye sensitized TiO2 solar cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4752","4761","10.1039/c3dt52142g","","","0.71073","MoKα","","0.2254","0.0813","","","0.0876","0.1256","","","","","","0.968","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028699","7.5963","0.0013","11.2271","0.0008","11.6787","0.0019","84.763","0.009","77.404","0.015","85.766","0.009","966.5","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H28 Cu Fe2 N2 O0 S4 -","- C40 H36 Cu Fe2 N2 O4 S4 -","- C40 H36 Cu Fe2 N2 O4 S4 -","1","0.5","","Singh, Vikram; Chauhan, Ratna; Gupta, Ajit N.; Kumar, Vinod; Drew, Michael G. B.; Bahadur, Lal; Singh, Nanhai","Photosensitizing activity of ferrocenyl bearing Ni(ii) and Cu(ii) dithiocarbamates in dye sensitized TiO2 solar cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4752","4761","10.1039/c3dt52142g","","","0.71073","MoKα","","0.0813","0.0494","","","0.0967","0.1125","","","","","","1.042","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028700","23.414","0.0011","23.414","0.005","5.832","0.004","90","0.004","90","0.004","90","0.004","3197","2","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C34 H32 Fe2 N2 Ni O2 S4 -","- C34 H32 Fe2 N2 Ni O2 S4 -","- C136 H128 Fe8 N8 Ni4 O8 S16 -","4","0.5","","Singh, Vikram; Chauhan, Ratna; Gupta, Ajit N.; Kumar, Vinod; Drew, Michael G. B.; Bahadur, Lal; Singh, Nanhai","Photosensitizing activity of ferrocenyl bearing Ni(ii) and Cu(ii) dithiocarbamates in dye sensitized TiO2 solar cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4752","4761","10.1039/c3dt52142g","","","0.71073","MoKα","","0.1544","0.0731","","","0.1675","0.2134","","","","","","1.024","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7028701","12.9132","0.0003","13.2833","0.0004","13.3983","0.0009","62.714","0.004","76.424","0.005","89.144","0.006","1973.96","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Au Mn3 N6 O9 -","- C38 H40 Au Mn3 N6 O9 -","- C76 H80 Au2 Mn6 N12 O18 -","2","1","","Sanz, Sergio; Frost, Jamie M.; Lorusso, Giulia; Evangelisti, Marco; Pitak, Mateusz B.; Coles, Simon J.; Nichol, Gary S.; Brechin, Euan K.","Combining oxime-based [Mn6] clusters with cyanometalates: 1D chains of [Mn6] SMMs from [M(CN)2](-) (M = Au, Ag).","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4622","4625","10.1039/c3dt53502a","","","0.71075","MoKα","","0.0507","0.0389","","","0.0758","0.0799","","","","","","1.045","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028702","12.9417","0.0005","12.9939","0.0005","14.0502","0.0006","65.47","0.004","64.209","0.004","60.181","0.004","1784.93","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Ag Mn3 N6 O8 -","- C34 H30 Ag Mn3 N6 O8 -","- C68 H60 Ag2 Mn6 N12 O16 -","2","1","","Sanz, Sergio; Frost, Jamie M.; Lorusso, Giulia; Evangelisti, Marco; Pitak, Mateusz B.; Coles, Simon J.; Nichol, Gary S.; Brechin, Euan K.","Combining oxime-based [Mn6] clusters with cyanometalates: 1D chains of [Mn6] SMMs from [M(CN)2](-) (M = Au, Ag).","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4622","4625","10.1039/c3dt53502a","","","0.71073","MoKα","","0.0518","0.0364","","","0.0697","0.0752","","","","","","1.058","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7028703","8.6003","0.0004","31.6173","0.0018","7.5682","0.0003","90","","99.671","0.004","90","","2028.69","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H31 Cu N4 O8 S -","- C13 H31 Cu N4 O8 S -","- C52 H124 Cu4 N16 O32 S4 -","4","1","","Sareen, Neha; Singh, Suryabhan; Bhattacharya, Subrato","A Cu(ii) mediated new desulfurization pathway involving elimination of ethylene sulfide.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4635","4638","10.1039/c3dt53395f","","","0.71073","MoKα","","0.0585","0.0433","","","0.0846","0.0912","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7028704","7.9414","0.0006","20.8386","0.0013","9.5765","0.0007","90","","99.996","0.006","90","","1560.74","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Cu2 N8 O12 -","- C18 H42 Cu2 N8 O12 -","- C36 H84 Cu4 N16 O24 -","2","0.5","","Sareen, Neha; Singh, Suryabhan; Bhattacharya, Subrato","A Cu(ii) mediated new desulfurization pathway involving elimination of ethylene sulfide.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4635","4638","10.1039/c3dt53395f","","","0.71073","MoKα","","0.1418","0.0612","","","0.0964","0.1225","","","","","","0.927","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028705","13.77","0.002","17.615","0.003","18.315","0.002","85.763","0.012","85.821","0.011","67.441","0.011","4086.5","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C161 H143.5 F24 Ir4 N21.5 O5.5 P4 -","- C161 H137.5 F24 Ir4 N21.5 O5.5 P4 -","- C161 H137.5 F24 Ir4 N21.5 O5.5 P4 -","1","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Schneider, Gabriel E.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegás, Antonio; Roldan-Carmona, Cristina","Red emitting [Ir(C^N)2(N^N)](+) complexes employing bidentate 2,2':6',2''-terpyridine ligands for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4653","4667","10.1039/c3dt53477d","","","0.71073","MoKα","","0.0605","0.0523","","","0.1393","0.1464","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7028706","12.7713","0.0007","21.4055","0.0016","12.8079","0.0008","90","","94.874","0.005","90","","3488.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 F6 Ir N7 P -","- C37 H33 F6 Ir N7 P -","- C148 H132 F24 Ir4 N28 P4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Schneider, Gabriel E.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegás, Antonio; Roldan-Carmona, Cristina","Red emitting [Ir(C^N)2(N^N)](+) complexes employing bidentate 2,2':6',2''-terpyridine ligands for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4653","4667","10.1039/c3dt53477d","","","0.71073","MoKα","","0.0251","0.0234","","","0.0575","0.0582","","","","","","1.167","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7028707","10.641","0.002","18.025","0.004","21.629","0.004","88.86","0.03","82.15","0.03","81.97","0.03","4069.4","1.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H72 Cl2 F12 Ir2 N12 O P2 -","- C89 H72 Cl2 F12 Ir2 N12 O P2 -","- C178 H144 Cl4 F24 Ir4 N24 O2 P4 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Schneider, Gabriel E.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegás, Antonio; Roldan-Carmona, Cristina","Red emitting [Ir(C^N)2(N^N)](+) complexes employing bidentate 2,2':6',2''-terpyridine ligands for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4653","4667","10.1039/c3dt53477d","","","0.71073","MoKα","","0.1535","0.0995","","","0.1963","0.2328","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7028708","10.2803","0.0004","12.447","0.0004","33.7717","0.0012","90","","93.369","0.002","90","","4313.9","0.3","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Cl4 F6 Ir N6 P -","- C45 H36 Cl4 F6 Ir N6 P -","- C180 H144 Cl16 F24 Ir4 N24 P4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Schneider, Gabriel E.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegás, Antonio; Roldan-Carmona, Cristina","Red emitting [Ir(C^N)2(N^N)](+) complexes employing bidentate 2,2':6',2''-terpyridine ligands for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4653","4667","10.1039/c3dt53477d","","","0.71073","MoKα","","0.0637","0.0476","","","0.0993","0.1155","","","","","","1.151","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7028709","55.632","0.004","10.5213","0.0011","34.013","0.002","90","","124.848","0.004","90","","16338","2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C184 H148 F24 Ir4 N22 O5 P4 -","- C184 H148 F24 Ir4 N22 O5 P4 -","- C736 H592 F96 Ir16 N88 O20 P16 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Schneider, Gabriel E.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegás, Antonio; Roldan-Carmona, Cristina","Red emitting [Ir(C^N)2(N^N)](+) complexes employing bidentate 2,2':6',2''-terpyridine ligands for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4653","4667","10.1039/c3dt53477d","","","0.71073","MoKα","","0.032","0.0286","","","0.0605","0.0617","","","","","","1.195","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7028710","14.5443","0.001","14.7612","0.001","19.8943","0.0014","90","","104.707","0.004","90","","4131.2","0.5","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C90 H73 F12 Ir2 N11 O2 P2 S2 -","- C90 H69 F12 Ir2 N11 O2 P2 S2 -","- C180 H138 F24 Ir4 N22 O4 P4 S4 -","2","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Schneider, Gabriel E.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegás, Antonio; Roldan-Carmona, Cristina","Red emitting [Ir(C^N)2(N^N)](+) complexes employing bidentate 2,2':6',2''-terpyridine ligands for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4653","4667","10.1039/c3dt53477d","","","0.71073","MoKα","","0.0247","0.0194","","","0.0444","0.0471","","","","","","1.047","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7028711","10.817","0.0007","13.5418","0.0008","14.6844","0.0009","94.081","0.002","100.297","0.002","103.316","0.002","2045.2","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H38 Cl2 F6 Ir N8 P -","- C43 H38 Cl2 F6 Ir N8 P -","- C86 H76 Cl4 F12 Ir2 N16 P2 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Schneider, Gabriel E.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegás, Antonio; Roldan-Carmona, Cristina","Red emitting [Ir(C^N)2(N^N)](+) complexes employing bidentate 2,2':6',2''-terpyridine ligands for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4653","4667","10.1039/c3dt53477d","","","1.54178","CuKα","","0.0229","0.0227","","","0.0596","0.0598","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7028712","9.0099","0.0016","14.026","0.003","20.222","0.005","101.42","0.016","96","0.016","99.536","0.014","2445.2","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H43 Cl4 F12 Ir N8 P2 -","- C45 H43 Cl4 F12 Ir N8 P2 -","- C90 H86 Cl8 F24 Ir2 N16 P4 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Schneider, Gabriel E.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegás, Antonio; Roldan-Carmona, Cristina","Red emitting [Ir(C^N)2(N^N)](+) complexes employing bidentate 2,2':6',2''-terpyridine ligands for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4653","4667","10.1039/c3dt53477d","","","0.71073","MoKα","","0.06","0.0442","","","0.0879","0.0926","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7028713","9.0976","0.0003","15.0804","0.0006","12.5158","0.0005","90","","105.995","0.0009","90","","1650.63","0.11","103","","103","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 Cu F6 N2 P S -","- C13 H20 Cu F6 N2 P S -","- C52 H80 Cu4 F24 N8 P4 S4 -","4","1","","Tano, Tetsuro; Mieda, Kaoru; Sugimoto, Hideki; Ogura, Takashi; Itoh, Shinobu","A copper complex supported by an N2S-tridentate ligand inducing efficient heterolytic O-O bond cleavage of alkylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4871","4877","10.1039/c3dt52952e","","","0.71075","MoKα","","","0.0302","","","","0.1122","","","","","","1.031","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028714","10.4296","0.0017","22.179","0.005","7.0837","0.0012","90","","92.797","0.003","90","","1636.6","0.5","103","","103","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 B Cl Cu F4 N2 S -","- C13 H20 B Cl Cu F4 N2 S -","- C52 H80 B4 Cl4 Cu4 F16 N8 S4 -","4","1","","Tano, Tetsuro; Mieda, Kaoru; Sugimoto, Hideki; Ogura, Takashi; Itoh, Shinobu","A copper complex supported by an N2S-tridentate ligand inducing efficient heterolytic O-O bond cleavage of alkylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4871","4877","10.1039/c3dt52952e","","","0.71075","MoKα","","","0.1626","","","","0.4008","","","","","","1","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028715","19.2706","0.0012","7.1058","0.0004","25.1142","0.0017","90","","103.692","0.0018","90","","3341.2","0.4","103","","103","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 B2 Cu2 F8 N10 S2 -","- C26 H40 B2 Cu2 F8 N10 S2 -","- C104 H160 B8 Cu8 F32 N40 S8 -","4","1","","Tano, Tetsuro; Mieda, Kaoru; Sugimoto, Hideki; Ogura, Takashi; Itoh, Shinobu","A copper complex supported by an N2S-tridentate ligand inducing efficient heterolytic O-O bond cleavage of alkylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4871","4877","10.1039/c3dt52952e","","","0.71075","MoKα","","","0.0561","","","","0.1528","","","","","","1.142","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028716","7.6907","0.0004","8.741","0.0005","15.2512","0.0007","84.088","0.0013","78.235","0.0013","74.662","0.0013","966.66","0.09","103","","103","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H22 Cu F3 N3 O6 S2 -","- C14 H20 Cu F3 N3 O6 S2 -","- C28 H40 Cu2 F6 N6 O12 S4 -","2","1","","Tano, Tetsuro; Mieda, Kaoru; Sugimoto, Hideki; Ogura, Takashi; Itoh, Shinobu","A copper complex supported by an N2S-tridentate ligand inducing efficient heterolytic O-O bond cleavage of alkylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4871","4877","10.1039/c3dt52952e","","","0.71075","MoKα","","","0.0377","","","","0.143","","","","","","1.188","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028717","7.1716","0.0012","20.845","0.004","15.117","0.003","90","","103.769","0.004","90","","2194.9","0.7","103","","103","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cu F6 N2 O6 S3 -","- C15 H20 Cu F6 N2 O6 S3 -","- C60 H80 Cu4 F24 N8 O24 S12 -","4","1","","Tano, Tetsuro; Mieda, Kaoru; Sugimoto, Hideki; Ogura, Takashi; Itoh, Shinobu","A copper complex supported by an N2S-tridentate ligand inducing efficient heterolytic O-O bond cleavage of alkylhydroperoxide.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4871","4877","10.1039/c3dt52952e","","","0.71075","MoKα","","","0.0749","","","","0.2053","","","","","","1.083","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028718","11.9028","0.0008","10.6135","0.0008","29.811","0.002","90","","93.675","0.001","90","","3758.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tris(3,5-dimethylphenyl(tertbutyl)amido)-(isocyanato)-molybdenum","tris(3,5-dimethylphenyl(tertbutyl)amido)-(isocyanato)-molybdenum","","- C37 H54 Mo N4 O -","- C37 H54 Mo N4 O -","- C148 H216 Mo4 N16 O4 -","4","1","","Cozzolino, Anthony F.; Silvia, Jared S.; Lopez, Nazario; Cummins, Christopher C.","Experimental and computational studies on the formation of cyanate from early metal terminal nitrido ligands and carbon monoxide.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4639","4652","10.1039/c3dt52738g","","x-ray","0.71073","MoKα","","0.0623","0.0395","","","0.0888","0.0994","","","","","","1.091","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028719","11.2735","0.0017","11.2686","0.0017","28.865","0.004","90","","95.38","0.002","90","","3650.8","0.9","100","2","100","2","","","101.3","","","","","5","P 1 21/c 1","-P 2ybc","14","tris(3,5-dimethylphenyl(tertbutyl)amido)-(isocyanato)-molybdenum","tris(3,5-dimethylphenyl(tertbutyl)amido)-(isocyanato)-molybdenum","","- C37 H54 Mo N4 O -","- C37 H54 Mo N4 O -","- C148 H216 Mo4 N16 O4 -","4","1","","Cozzolino, Anthony F.; Silvia, Jared S.; Lopez, Nazario; Cummins, Christopher C.","Experimental and computational studies on the formation of cyanate from early metal terminal nitrido ligands and carbon monoxide.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4639","4652","10.1039/c3dt52738g","","x-ray","0.71073","MoKα","","0.1354","0.092","","","0.1939","0.2147","","","","","","1.28","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028720","9.3279","0.0018","33.209","0.006","17.787","0.004","90","","103.715","0.003","90","","5352.8","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(2-dimethylamino-5-methylphenyl(tertbutyl)amido)-vanadium-chloride","bis(2-dimethylamino-5-methylphenyl(tertbutyl)amido)-vanadium-chloride","","- C26 H42 Cl N4 V -","- C26 H42 Cl N4 V -","- C208 H336 Cl8 N32 V8 -","8","2","","Cozzolino, Anthony F.; Silvia, Jared S.; Lopez, Nazario; Cummins, Christopher C.","Experimental and computational studies on the formation of cyanate from early metal terminal nitrido ligands and carbon monoxide.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4639","4652","10.1039/c3dt52738g","","","0.71073","MoKα","","0.1283","0.0801","","","0.1632","0.1842","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028721","17.6314","0.0019","9.6863","0.0011","24.542","0.003","90","","103.421","0.002","90","","4076.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-dimethylamino-5-methylphenyl(tertbutyl)amido)-vanadium","bis(2-dimethylamino-5-methylphenyl(tertbutyl)amido)-vanadium bis(tetramethylethylenediamine)vanadiumdichloride","","- C39 H66 Cl N6 V1.5 -","- C39 H66 Cl N6 V1.5 -","- C156 H264 Cl4 N24 V6 -","4","1","","Cozzolino, Anthony F.; Silvia, Jared S.; Lopez, Nazario; Cummins, Christopher C.","Experimental and computational studies on the formation of cyanate from early metal terminal nitrido ligands and carbon monoxide.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4639","4652","10.1039/c3dt52738g","","","0.71073","MoKα","","0.0618","0.0432","","","0.1096","0.128","","","","","","0.795","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028722","9.5016","0.0008","10.2855","0.0009","15.7956","0.0014","91.198","0.002","105.138","0.001","115.939","0.001","1323.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bis(2-dimethylamino-5-methylphenyl(tertbutyl)amido)-molybdenum-dichloride","bis(2-dimethylamino-5-methylphenyl(tertbutyl)amido)-molybdenum-dichloride","","- C26 H42 Cl2 Mo N4 -","- C26 H42 Cl2 Mo N4 -","- C52 H84 Cl4 Mo2 N8 -","2","1","","Cozzolino, Anthony F.; Silvia, Jared S.; Lopez, Nazario; Cummins, Christopher C.","Experimental and computational studies on the formation of cyanate from early metal terminal nitrido ligands and carbon monoxide.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4639","4652","10.1039/c3dt52738g","","x-ray","0.71073","MoKα","","0.051","0.0371","","","0.0833","0.0909","","","","","","1.039","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028723","9.318","0.0006","18.593","0.0012","16.0487","0.0011","90","","101.961","0.001","90","","2720.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(2-dimethylamino-5-methylphenyl(tertbutyl)amido)-nitrido-molybdenum-azide","bis(2-dimethylamino-5-methylphenyl(tertbutyl)amido)-nitrido-molybdenum-azide","","- C26 H42 Mo N8 -","- C26 H42 Mo N8 -","- C104 H168 Mo4 N32 -","4","1","","Cozzolino, Anthony F.; Silvia, Jared S.; Lopez, Nazario; Cummins, Christopher C.","Experimental and computational studies on the formation of cyanate from early metal terminal nitrido ligands and carbon monoxide.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4639","4652","10.1039/c3dt52738g","","","0.71073","MoKα","","0.0364","0.028","","","0.0998","0.1135","","","","","","0.918","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028724","11.8143","0.0006","11.9134","0.0006","16.8751","0.0009","79.05","0.001","86.767","0.001","65.461","0.001","2120.61","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","mu-oxylamido-bis(bis(3,5-dimethylphenyl(tertbutyl)amido)-(3,5-dimethylphenylimido)-molybdenum)","mu-oxylamido-bis(bis(3,5-dimethylphenyl(tertbutyl)amido)-(3,5-dimethylphenylimido)-molybdenum)","","- C86 H132 Mo2 N8 O7 -","- C86 H132 Mo2 N8 O7 -","- C86 H132 Mo2 N8 O7 -","1","0.5","","Cozzolino, Anthony F.; Silvia, Jared S.; Lopez, Nazario; Cummins, Christopher C.","Experimental and computational studies on the formation of cyanate from early metal terminal nitrido ligands and carbon monoxide.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4639","4652","10.1039/c3dt52738g","","x-ray","0.71073","MoKα","","0.0419","0.0361","","","0.0908","0.0958","","","","","","1.059","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028725","10.4907","0.0014","10.876","0.0015","28.605","0.004","88.905","0.004","85.552","0.004","68.327","0.003","3023.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","tris(3,5-dimethylphenyl(tertbutyl)amido)molebdenum-mu-2-dinitrogen -bis(2-dimethylamino-5-methylphenyl(tertbutyl)amido)-vanadium","","- C62 H96 Mo N9 V -","- C62 H96 Mo N9 V -","- C124 H192 Mo2 N18 V2 -","2","1","","Cozzolino, Anthony F.; Silvia, Jared S.; Lopez, Nazario; Cummins, Christopher C.","Experimental and computational studies on the formation of cyanate from early metal terminal nitrido ligands and carbon monoxide.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4639","4652","10.1039/c3dt52738g","","","0.71073","MoKα","","0.0722","0.0551","","","0.1175","0.1258","","","","","","1.141","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028726","22.0403","0.0007","9.7351","0.0003","14.5013","0.0005","90","","90","","90","","3111.46","0.17","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H29 Cl2 N3 O2 P Re -","- C33 H29 Cl2 N3 O2 P Re -","- C132 H116 Cl8 N12 O8 P4 Re4 -","4","1","","Machura, Barbara; Gryca, Izabela; Małecki, Jan Grzegorz; Alonso, Francisco; Moglie, Yanina","p-Tolylimido rhenium(v) complexes - synthesis, X-ray studies, spectroscopic characterization, DFT calculations and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2596","2610","10.1039/c3dt52528g","","","0.71073","MoKα","","0.0476","0.0411","","","0.1035","0.1074","","","","","","1.084","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028727","15.7245","0.0012","14.0954","0.0011","13.5539","0.001","90","","98.885","0.007","90","","2968.1","0.4","293","2","293","0.2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H26 Br2 N2 O2 P Re -","- C31 H26 Br2 N2 O2 P Re -","- C124 H104 Br8 N8 O8 P4 Re4 -","4","1","","Machura, Barbara; Gryca, Izabela; Małecki, Jan Grzegorz; Alonso, Francisco; Moglie, Yanina","p-Tolylimido rhenium(v) complexes - synthesis, X-ray studies, spectroscopic characterization, DFT calculations and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2596","2610","10.1039/c3dt52528g","","","0.71073","MoKα","","0.0499","0.0433","","","0.093","0.0987","","","","","","1.021","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028728","9.7816","0.0005","14.8808","0.0008","21.8833","0.0014","90","","102.709","0.006","90","","3107.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Cl2 N2 O2 P Re -","- C31 H26 Cl2 N2 O2 P Re -","- C124 H104 Cl8 N8 O8 P4 Re4 -","4","1","","Machura, Barbara; Gryca, Izabela; Małecki, Jan Grzegorz; Alonso, Francisco; Moglie, Yanina","p-Tolylimido rhenium(v) complexes - synthesis, X-ray studies, spectroscopic characterization, DFT calculations and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2596","2610","10.1039/c3dt52528g","","","0.71073","MoKα","","0.0443","0.0281","","","0.0549","0.0583","","","","","","0.988","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028729","41.192","0.0003","8.0922","0.0003","21.8048","0.0014","90","","120.786","0.009","90","","6244.1","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 Br2 N2 O3 P Re -","- C31 H28 Br2 N2 O3 P Re -","- C248 H224 Br16 N16 O24 P8 Re8 -","8","1","","Machura, Barbara; Gryca, Izabela; Małecki, Jan Grzegorz; Alonso, Francisco; Moglie, Yanina","p-Tolylimido rhenium(v) complexes - synthesis, X-ray studies, spectroscopic characterization, DFT calculations and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2596","2610","10.1039/c3dt52528g","","","0.71073","MoKα","","0.0489","0.0298","","","0.0551","0.0591","","","","","","1.022","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028730","15.5583","0.0007","14.0916","0.0008","13.5172","0.0007","90","","97.838","0.004","90","","2935.8","0.3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H26 Cl2 N2 O2 P Re -","- C31 H26 Cl2 N2 O2 P Re -","- C124 H104 Cl8 N8 O8 P4 Re4 -","4","1","","Machura, Barbara; Gryca, Izabela; Małecki, Jan Grzegorz; Alonso, Francisco; Moglie, Yanina","p-Tolylimido rhenium(v) complexes - synthesis, X-ray studies, spectroscopic characterization, DFT calculations and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2596","2610","10.1039/c3dt52528g","","","0.71073","MoKα","","0.0332","0.0288","","","0.0911","0.0955","","","","","","1.164","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028731","10.2167","0.0003","13.6809","0.0004","14.3814","0.0004","96.458","0.003","92.186","0.002","98.091","0.003","1974.52","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H40 Cl2 N O P2 Re -","- C44 H40 Cl2 N O P2 Re -","- C88 H80 Cl4 N2 O2 P4 Re2 -","2","1","","Machura, Barbara; Gryca, Izabela; Małecki, Jan Grzegorz; Alonso, Francisco; Moglie, Yanina","p-Tolylimido rhenium(v) complexes - synthesis, X-ray studies, spectroscopic characterization, DFT calculations and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2596","2610","10.1039/c3dt52528g","","","0.71073","MoKα","","0.0389","0.0298","","","0.0583","0.0607","","","","","","0.996","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028732","10.5826","0.0005","13.5937","0.0006","14.4529","0.0005","87.048","0.003","88.44","0.004","81.771","0.004","2054.59","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H41 Br2 N O1.5 P2 Re -","- C44 H40 Br2 N O1.5 P2 Re -","- C88 H80 Br4 N2 O3 P4 Re2 -","2","1","","Machura, Barbara; Gryca, Izabela; Małecki, Jan Grzegorz; Alonso, Francisco; Moglie, Yanina","p-Tolylimido rhenium(v) complexes - synthesis, X-ray studies, spectroscopic characterization, DFT calculations and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2596","2610","10.1039/c3dt52528g","","","0.71073","MoKα","","0.0539","0.038","","","0.0826","0.0901","","","","","","1.011","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028733","9.5479","0.0019","13.594","0.003","11.132","0.002","90","","105.943","0.002","90","","1389.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Cl2 Mn2 N6 O16 -","- C16 H36 Cl2 Mn2 N6 O16 -","- C32 H72 Cl4 Mn4 N12 O32 -","2","0.5","","Qian, Jing; Yu, Shasha; Wang, Wenjun; Wang, Liping; Tian, Jinlei; Yan, Shiping","Efficient single-strand cleavage of DNA mediated by a Mn(III)Mn(IV)-based artificial nuclease.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2646","2655","10.1039/c3dt51904j","","","0.71073","MoKα","","0.0516","0.0357","","","0.09","0.0984","","","","","","1.023","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028734","20.208","0.002","20.208","0.002","20.208","0.002","90","","90","","90","","8252.2","1.4","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C32 H49 Cl Cu4 N16 O24 -","- C32 H16 Cl Cu4 N16 O12 -","- C96 H48 Cl3 Cu12 N48 O36 -","3","0.0625","","Wang, Dongmei; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling","A porous sodalite-type MOF based on tetrazolcarboxylate ligands and [Cu4Cl](7+) squares with open metal sites for gas sorption.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2365","2368","10.1039/c3dt52509k","","","0.71073","MoKα","","0.0842","0.0736","","","0.2069","0.2151","","","","","","1.145","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028735","17.02529","0.00003","17.02529","0.00003","6.8749","0.00002","90","","90","","120","","1725.78","0.007","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","La7Mo5.25W1.75O30","","- La7 Mo5.25 O30 W1.75 -","- La6.99988 Mo5.24993 O29.9994 W1.75001 -","- La20.9996 Mo15.7498 O89.9982 W5.25003 -","3","0.166667","","Vega-Castillo, Jesús E; Ravella, Uday K.; Corbel, Gwenaël; Lacorre, Philippe; Caneiro, Alberto","Thermodynamic stability of La2Mo2-yWyO9, La2Mo2-yWyO8.96+0.02y and La7Mo7(2-y)/2W7y/2O30 (y = 0, 0.5 and 1.0).","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2661","2669","10.1039/c3dt52174e","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","3.6888","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028736","17.03282","0.00003","17.03282","0.00003","6.87946","0.00002","90","","90","","120","","1728.45","0.007","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- La7 Mo3.5 O30 W3.5 -","- La6.99988 Mo3.49991 O29.9994 W3.49991 -","- La20.9996 Mo10.4997 O89.9982 W10.4997 -","3","0.166667","","Vega-Castillo, Jesús E; Ravella, Uday K.; Corbel, Gwenaël; Lacorre, Philippe; Caneiro, Alberto","Thermodynamic stability of La2Mo2-yWyO9, La2Mo2-yWyO8.96+0.02y and La7Mo7(2-y)/2W7y/2O30 (y = 0, 0.5 and 1.0).","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2661","2669","10.1039/c3dt52174e","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","6.7162","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028737","11.7579","0.0002","7.7009","0.0001","20.479","0.0004","90","","100.19","0.002","90","","1825.05","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N3 P -","- C22 H18 N3 P -","- C88 H72 N12 P4 -","4","1","","Sarcher, Christian; Farsadpour, Saeid; Taghizadeh Ghoochany, Leila; Sun, Yu; Thiel, Werner R.; Roesky, Peter W.","Gold(i) complexes with heteroaryl phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2397","2405","10.1039/c3dt52893f","","","1.54184","CuKα","","0.0384","0.0372","","","0.1038","0.1055","","","","","","1.083","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028738","11.5763","0.0005","12.1434","0.0005","14.4334","0.0006","90","","107.456","0.003","90","","1935.54","0.14","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C21 H17 Au Cl N2 P -","- C21 H17 Au Cl N2 P -","- C84 H68 Au4 Cl4 N8 P4 -","4","1","","Sarcher, Christian; Farsadpour, Saeid; Taghizadeh Ghoochany, Leila; Sun, Yu; Thiel, Werner R.; Roesky, Peter W.","Gold(i) complexes with heteroaryl phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2397","2405","10.1039/c3dt52893f","","","0.71073","MoKα","","0.0331","0.0259","","","0.0574","0.0592","","","","","","1.012","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028739","10.0659","0.0004","11.2041","0.0004","11.2375","0.0004","87.414","0.003","71.501","0.003","82.113","0.003","1190.5","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Au Cl3 N4 P -","- C22 H19 Au Cl3 N4 P -","- C44 H38 Au2 Cl6 N8 P2 -","2","1","","Sarcher, Christian; Farsadpour, Saeid; Taghizadeh Ghoochany, Leila; Sun, Yu; Thiel, Werner R.; Roesky, Peter W.","Gold(i) complexes with heteroaryl phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2397","2405","10.1039/c3dt52893f","","","0.71073","MoKα","","0.0206","0.0197","","","0.0486","0.049","","","","","","1.069","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028740","8.801","0.0004","11.0375","0.0004","11.7633","0.0005","74.503","0.003","71.796","0.003","77.52","0.003","1035.01","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Au Cl N3 P -","- C22 H18 Au Cl N3 P -","- C44 H36 Au2 Cl2 N6 P2 -","2","1","","Sarcher, Christian; Farsadpour, Saeid; Taghizadeh Ghoochany, Leila; Sun, Yu; Thiel, Werner R.; Roesky, Peter W.","Gold(i) complexes with heteroaryl phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2397","2405","10.1039/c3dt52893f","","","0.71073","MoKα","","0.0253","0.0236","","","0.0605","0.0613","","","","","","1.076","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028741","10.9679","0.0003","13.2655","0.0003","18.0039","0.0005","91.4","0.002","99.377","0.002","103.517","0.002","2507.54","0.12","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H37 Au Cl10 N4 O4 P2 -","- C45 H37 Au Cl10 N4 O4 P2 -","- C90 H74 Au2 Cl20 N8 O8 P4 -","2","1","","Sarcher, Christian; Farsadpour, Saeid; Taghizadeh Ghoochany, Leila; Sun, Yu; Thiel, Werner R.; Roesky, Peter W.","Gold(i) complexes with heteroaryl phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2397","2405","10.1039/c3dt52893f","","","0.71073","MoKα","","0.0564","0.0464","","","0.1181","0.1239","","","","","","1.037","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028742","12.2448","0.001","13.2214","0.0011","13.5248","0.0012","74.8544","0.0015","83.0605","0.0016","87.1996","0.0014","2097.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H74 Eu2 N12 O20 -","- C86 H74 Eu2 N12 O20 -","- C86 H74 Eu2 N12 O20 -","1","0.5","","Wang, Ailing; Wei, Xiaoyan; Zhang, Haixia; Yue, Bin; Qu, Yanrong; Kang, Jie; Wang, Zhongxia; Chu, Haibin; Zhao, Yongliang","Crystal structure and photoluminescence of two europium compounds with phenoxyacetic acid and 2,4,6-tri(2-pyridyl)-s-triazine.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2620","2628","10.1039/c3dt53068j","","","0.71073","MoKα","","0.0702","0.0521","","","0.1458","0.164","","","","","","1.036","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028743","12.2476","0.0006","13.226","0.0007","13.521","0.0007","74.8811","0.0009","83.0465","0.0008","87.2126","0.0008","2098.53","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H74 Eu Gd N12 O20 -","- C86 H74 Eu Gd N12 O20 -","- C86 H74 Eu Gd N12 O20 -","1","0.5","","Wang, Ailing; Wei, Xiaoyan; Zhang, Haixia; Yue, Bin; Qu, Yanrong; Kang, Jie; Wang, Zhongxia; Chu, Haibin; Zhao, Yongliang","Crystal structure and photoluminescence of two europium compounds with phenoxyacetic acid and 2,4,6-tri(2-pyridyl)-s-triazine.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2620","2628","10.1039/c3dt53068j","","","0.71073","MoKα","","0.0284","0.0251","","","0.0669","0.0704","","","","","","1.017","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028744","17.228","0.003","8.8924","0.0013","12.8756","0.0019","90","","129.374","0.002","90","","1524.8","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H20 Cl2 N2 O2 Sn -","- C6 H20 Cl2 N2 O2 Sn -","- C24 H80 Cl8 N8 O8 Sn4 -","4","1","","Khan, Rais Ahmad; Yadav, Shipra; Hussain, Zahid; Arjmand, Farukh; Tabassum, Sartaj","Carbohydrate linked organotin(iv) complexes as human topoisomerase Iα inhibitor and their antiproliferative effects against the human carcinoma cell line.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2534","2548","10.1039/c3dt51973b","","","0.71073","MoKα","","0.0476","0.0459","","","0.1458","0.1508","","","","","","1.136","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028745","17.274","0.006","16.13","0.006","16.903","0.006","90","","96.644","0.005","90","","4678","3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 B Cl F4 N2 O Ru -","- C22 H22 B Cl F4 N2 O Ru -","- C176 H176 B8 Cl8 F32 N16 O8 Ru8 -","8","2","","Valladolid, Jesús; Hortigüela, Carlos; Busto, Natalia; Espino, Gustavo; Rodríguez, Ana M; Leal, José M; Jalón, Félix A; Manzano, Blanca R.; Carbayo, Arancha; García, Begoña","Phenanthroline ligands are biologically more active than their corresponding ruthenium(ii) arene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2629","2645","10.1039/c3dt52743c","","","0.71073","MoKα","","0.0815","0.0591","","","0.1517","0.1624","","","","","","1.026","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028746","18.1455","0.0013","9.2914","0.0008","16.4133","0.0013","90","","104.815","0.007","90","","2675.2","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1-{6-[1,1-di(pyridin-2-yl)ethyl]pyridin-2-yl}-N,N- dimethylmethanamine)bis(thiocyanato-κN)iron(II)‒chloroform(1/1)","","- C23 H23 Cl3 Fe N6 S2 -","- C23 H23 Cl3 Fe N6 S2 -","- C92 H92 Cl12 Fe4 N24 S8 -","4","1","","Wiedemann, Dennis; Grohmann, Andreas","Bulk spin-crossover in the complex [FeL(NCS)2] of a tris(pyridyl)ethane-derived N4-ligand-a temperature-dependent crystallographic study.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2406","2417","10.1039/c3dt53070a","","x-ray","0.71073","MoKα","","0.1293","0.0748","","","0.1146","0.1364","","","","","","1.054","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028747","18.242","0.008","9.322","0.003","16.786","0.007","90","","104.1","0.04","90","","2768","2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1-{6-[1,1-di(pyridin-2-yl)ethyl]pyridin-2-yl}-N,N- dimethylmethanamine)bis(thiocyanato-κN)iron(II)‒chloroform(1/1)","","- C23 H23 Cl3 Fe N6 S2 -","- C23 H23 Cl3 Fe N6 S2 -","- C92 H92 Cl12 Fe4 N24 S8 -","4","1","","Wiedemann, Dennis; Grohmann, Andreas","Bulk spin-crossover in the complex [FeL(NCS)2] of a tris(pyridyl)ethane-derived N4-ligand-a temperature-dependent crystallographic study.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2406","2417","10.1039/c3dt53070a","","x-ray","0.71073","MoKα","","0.1553","0.0842","","","0.1615","0.2009","","","","","","1.052","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028748","13.775","0.0018","15.5077","0.0014","14.5434","0.0019","90","","91.427","0.013","90","","3105.8","0.6","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1-{6-[1,1-di(pyridin-2-yl)ethyl]pyridin-2-yl}-N,N- dimethylmethanamine)bis(thiocyanato-κN)iron(II)‒chloroform(1/2)","","- C24 H24 Cl6 Fe N6 S2 -","- C24 H24 Cl6 Fe N6 S2 -","- C96 H96 Cl24 Fe4 N24 S8 -","4","1","","Wiedemann, Dennis; Grohmann, Andreas","Bulk spin-crossover in the complex [FeL(NCS)2] of a tris(pyridyl)ethane-derived N4-ligand-a temperature-dependent crystallographic study.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2406","2417","10.1039/c3dt53070a","","x-ray","0.71073","MoKα","","0.0724","0.0559","","","0.1247","0.1336","","","","","","1.067","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028749","13.8495","0.0012","15.7047","0.0011","14.731","0.0014","90","","91.087","0.008","90","","3203.4","0.5","273","0.14","273","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1-{6-[1,1-di(pyridin-2-yl)ethyl]pyridin-2-yl}-N,N- dimethylmethanamine)bis(thiocyanato-κN)iron(II)‒chloroform(1/2)","","- C24 H24 Cl6 Fe N6 S2 -","- C24 H24 Cl6 Fe N6 S2 -","- C96 H96 Cl24 Fe4 N24 S8 -","4","1","","Wiedemann, Dennis; Grohmann, Andreas","Bulk spin-crossover in the complex [FeL(NCS)2] of a tris(pyridyl)ethane-derived N4-ligand-a temperature-dependent crystallographic study.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2406","2417","10.1039/c3dt53070a","","x-ray","0.71073","MoKα","","0.149","0.0824","","","0.1402","0.1686","","","","","","1.09","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028750","9.8322","0.0007","14.7903","0.0007","15.1031","0.0012","90","","93.936","0.008","90","","2191.1","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","dichlorido(1-{6-[1,1-di(pyridin-2-yl)ethyl]pyridin-2-yl}- N,N-dimethylmethanamine)iron(II)‒methanol(1/1)","","- C21 H26 Cl2 Fe N4 O -","- C21 H26 Cl2 Fe N4 O -","- C84 H104 Cl8 Fe4 N16 O4 -","4","1","","Wiedemann, Dennis; Grohmann, Andreas","Bulk spin-crossover in the complex [FeL(NCS)2] of a tris(pyridyl)ethane-derived N4-ligand-a temperature-dependent crystallographic study.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2406","2417","10.1039/c3dt53070a","","x-ray","0.71073","MoKα","","0.0488","0.0372","","","0.0949","0.0975","","","","","","1.086","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028751","9.144","0.0002","12.7087","0.0004","22.2852","0.0007","90","","107.386","0.003","90","","2471.41","0.13","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(1-{6-[1,1-di(pyridin-2-yl)ethyl]pyridin-2-yl}-N,N- dimethylmethanamine)bis(thiocyanato-κN)iron(II)‒[D~2~]dichloromethane(1/1)","","- C23 H22 Cl2 D2 Fe N6 S2 -","- C23 H22 Cl2 D2 Fe N6 S2 -","- C92 H88 Cl8 D8 Fe4 N24 S8 -","4","1","","Wiedemann, Dennis; Grohmann, Andreas","Bulk spin-crossover in the complex [FeL(NCS)2] of a tris(pyridyl)ethane-derived N4-ligand-a temperature-dependent crystallographic study.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2406","2417","10.1039/c3dt53070a","","x-ray","0.71073","MoKα","","0.0463","0.0409","","","0.0853","0.0875","","","","","","1.16","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028752","8.9533","0.0005","10.8208","0.0007","12.7219","0.0007","92.04","0.005","106.526","0.005","93.255","0.005","1177.98","0.12","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","dichlorido(1-{6-[1,1-di(pyridin-2-yl)ethyl]pyridin-2-yl}- N,N-dimethylmethanamine)iron(III) hexafluorophosphate","","- C20 H22 Cl2 F6 Fe N4 P -","- C20 H22 Cl2 F6 Fe N4 P -","- C40 H44 Cl4 F12 Fe2 N8 P2 -","2","1","","Wiedemann, Dennis; Grohmann, Andreas","Bulk spin-crossover in the complex [FeL(NCS)2] of a tris(pyridyl)ethane-derived N4-ligand-a temperature-dependent crystallographic study.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2406","2417","10.1039/c3dt53070a","","x-ray","0.71073","MoKα","","0.0454","0.0376","","","0.0908","0.095","","","","","","1.064","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028753","17.4186","0.0011","32.397","0.002","10.541","0.0007","90","","90","","90","","5948.4","0.7","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","N2,N2',N6,N6'-tetrakis(5-tert-butyl-1H pyrazol-3-yl)- 4,4'-bipyridine-2,2',6,6'-tetracarboxamide","","","- C51 H79 N17 O10 -","- C51 H79 N17 O10 -","- C204 H316 N68 O40 -","4","1","","Zarrabi, Niloofar; Hayward, John J.; Clegg, William; Pilkington, Melanie","Saddling up copper - new twists on a metallo-wheel.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2352","2355","10.1039/c3dt53267d","","","0.71073","MoKα","","0.0848","0.0818","","","0.2401","0.2439","","","","","","1.12","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028754","21.5918","0.0015","24.0051","0.0017","27.3864","0.0019","83.75","0.004","85.664","0.004","69.107","0.003","13172.2","1.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C168 H208 Cl16 Cu8 N56 O16 -","- C169 H209 Cl19 Cu8 N56 O16 -","- C338 H418 Cl38 Cu16 N112 O32 -","2","1","","Zarrabi, Niloofar; Hayward, John J.; Clegg, William; Pilkington, Melanie","Saddling up copper - new twists on a metallo-wheel.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2352","2355","10.1039/c3dt53267d","","","0.71073","MoKα","","0.105","0.0749","","","0.2084","0.2277","","","","","","1.128","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028755","7.277","0.002","11.987","0.003","12.828","0.003","68.347","0.004","81.383","0.004","76.412","0.004","1008.4","0.4","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H36 N2 O15 -","- C50 H32 N2 O15 -","- C50 H32 N2 O15 -","1","0.5","","Mulyana, Yanyan; Alley, Kerwyn G.; Davies, Kristian M.; Abrahams, Brendan F.; Moubaraki, Boujemaa; Murray, Keith S.; Boskovic, Colette","Dinuclear cobalt(ii) and cobalt(iii) complexes of bis-bidentate napthoquinone ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2499","2511","10.1039/c3dt52811a","","","0.71073","MoKα","","0.0779","0.0744","","","0.1964","0.2009","","","","","","1.136","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028756","9.6851","0.0003","20.5451","0.0005","22.8542","0.0007","85.949","0.002","87.043","0.002","81.098","0.002","4477.7","0.2","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H96 B2 Cl4 Co2 N8 O8 -","- C105 H86 B2 Cl2 Co2 N8 O6 -","- C210 H172 B4 Cl4 Co4 N16 O12 -","2","1","","Mulyana, Yanyan; Alley, Kerwyn G.; Davies, Kristian M.; Abrahams, Brendan F.; Moubaraki, Boujemaa; Murray, Keith S.; Boskovic, Colette","Dinuclear cobalt(ii) and cobalt(iii) complexes of bis-bidentate napthoquinone ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2499","2511","10.1039/c3dt52811a","","","1.54184","CuKα","","0.0551","0.0465","","","0.1117","0.1154","","","","","","1.058","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028757","34.0656","0.0006","8.5301","0.0001","25.9872","0.0004","90","","105.875","0.002","90","","7263.4","0.2","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H74 Cl2 Co2 N10 O16 -","- C70 H74 Cl2 Co2 N10 O16 -","- C280 H296 Cl8 Co8 N40 O64 -","4","0.5","","Mulyana, Yanyan; Alley, Kerwyn G.; Davies, Kristian M.; Abrahams, Brendan F.; Moubaraki, Boujemaa; Murray, Keith S.; Boskovic, Colette","Dinuclear cobalt(ii) and cobalt(iii) complexes of bis-bidentate napthoquinone ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2499","2511","10.1039/c3dt52811a","","","1.54184","CuKα","","0.0838","0.0657","","","0.1656","0.1776","","","","","","1.052","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028758","8.8275","0.0004","37.7023","0.0017","18.6602","0.0009","90","","90","","90","","6210.4","0.5","130","2","130","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C64 H60 Cl2 Co2 N10 O15 -","- C64 H58 Cl2 Co2 N10 O15 -","- C256 H232 Cl8 Co8 N40 O60 -","4","0.5","","Mulyana, Yanyan; Alley, Kerwyn G.; Davies, Kristian M.; Abrahams, Brendan F.; Moubaraki, Boujemaa; Murray, Keith S.; Boskovic, Colette","Dinuclear cobalt(ii) and cobalt(iii) complexes of bis-bidentate napthoquinone ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2499","2511","10.1039/c3dt52811a","","","1.54184","CuKα","","0.1173","0.0915","","","0.2195","0.2381","","","","","","1.1","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028759","19.0266","0.0016","18.3969","0.0015","20.8598","0.0019","90","","106.282","0.009","90","","7008.7","1.1","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H72 Cl2 Co2 N10 O15 -","- C62 H56 Cl2 Co2 N8 O14 -","- C248 H224 Cl8 Co8 N32 O56 -","4","1","","Mulyana, Yanyan; Alley, Kerwyn G.; Davies, Kristian M.; Abrahams, Brendan F.; Moubaraki, Boujemaa; Murray, Keith S.; Boskovic, Colette","Dinuclear cobalt(ii) and cobalt(iii) complexes of bis-bidentate napthoquinone ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2499","2511","10.1039/c3dt52811a","","","1.54184","CuKα","","0.0934","0.0849","","","0.2233","0.235","","","","","","1.026","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028760","16.9097","0.0004","32.8461","0.0008","13.4958","0.0003","90","","100.386","0.002","90","","7373","0.3","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H62 Co2 F24 N8 O9 P4 -","- C65 H62 Co2 F24 N8 O9 P4 -","- C260 H248 Co8 F96 N32 O36 P16 -","4","1","","Mulyana, Yanyan; Alley, Kerwyn G.; Davies, Kristian M.; Abrahams, Brendan F.; Moubaraki, Boujemaa; Murray, Keith S.; Boskovic, Colette","Dinuclear cobalt(ii) and cobalt(iii) complexes of bis-bidentate napthoquinone ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2499","2511","10.1039/c3dt52811a","","","1.54184","CuKα","","0.1126","0.0871","","","0.178","0.1888","","","","","","1.149","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028761","17.577","0.004","15.479","0.004","22.795","0.005","90","","97.642","0.006","90","","6147","3","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H60 Co2 F12 N8 O12 P2 -","- C58 H50 Co2 F12 N8 O10 P2 -","- C232 H200 Co8 F48 N32 O40 P8 -","4","1","","Mulyana, Yanyan; Alley, Kerwyn G.; Davies, Kristian M.; Abrahams, Brendan F.; Moubaraki, Boujemaa; Murray, Keith S.; Boskovic, Colette","Dinuclear cobalt(ii) and cobalt(iii) complexes of bis-bidentate napthoquinone ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2499","2511","10.1039/c3dt52811a","","","0.71073","MoKα","","0.1515","0.0877","","","0.2337","0.2634","","","","","","0.978","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028762","11.77382","0.00013","11.77382","0.00013","11.6202","0.0002","90","","90","","120","","1395.02","0.03","296","2","296","2","","","","","","","","4","R -3","-R 3","148","","","","- C1.17 H2.39 Co O3 -","- C1.204 H2.408 Co O3 -","- C21.672 H43.344 Co18 O54 -","18","","","Gao, Junkuo; Bai, Linlu; Zhang, Qian; Li, Yongxin; Rakesh, Ganguly; Lee, Jong-Min; Yang, Yanhui; Zhang, Qichun","Co6(μ3-OH)6 cluster based coordination polymer as an effective heterogeneous catalyst for aerobic epoxidation of alkenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2559","2565","10.1039/c3dt52562g","","","0.71073","","","0.0216","0.0164","","","0.0391","0.0408","","","","","","1.026","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028763","8.6238","0.0007","12.2506","0.0011","15.504","0.0013","90","","90.781","0.001","90","","1637.8","0.2","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 H12 Bi Br3 N6 S3 -","- C3 H12 Bi Br3 N6 S3 -","- C12 H48 Bi4 Br12 N24 S12 -","4","1","","Li, Ming; Li, R. K.","Two new bismuth thiourea bromides: crystal structure, growth, and characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2577","2580","10.1039/c3dt52953c","","","0.71073","MoKα","","0.0335","0.0295","","","0.0797","0.0812","","","","","","1.053","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028764","12.748","0.017","12.748","0.017","40.45","0.11","90","","90","","120","","5693","19","296","2","296","2","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C6 H30 Bi Br9 N12 S6 -","- C6 H30 Bi Br9 N12 S6 -","- C36 H180 Bi6 Br54 N72 S36 -","6","","","Li, Ming; Li, R. K.","Two new bismuth thiourea bromides: crystal structure, growth, and characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2577","2580","10.1039/c3dt52953c","","","0.71073","MoKα","","0.0648","0.0343","","","0.0706","0.0793","","","","","","0.97","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028765","15.055","0.003","19.328","0.004","12.632","0.002","90","","104.687","0.002","90","","3555.6","1.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H30 Ag3 N9 -","- C42 H30 Ag3 N9 -","- C168 H120 Ag12 N36 -","4","1","","Hu, Xiao-Hui; Liang, Yan; Li, Chen; Yi, Xiao-Yi","Multi-nuclear silver(i) and copper(i) complexes: a novel bonding mode for bispyridylpyrrolides.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2458","2464","10.1039/c3dt52794h","","","0.71073","MoKα","","0.0644","0.0506","","","0.1118","0.1212","","","","","","0.975","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028766","19.8842","0.0003","17.3938","0.0003","17.407","0.0002","90","","108.239","0.001","90","","5717.95","0.15","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C65 H50 Ag3 F3 N6 O3 P2 S -","- C65 H50 Ag3 F3 N6 O3 P2 S -","- C260 H200 Ag12 F12 N24 O12 P8 S4 -","4","0.5","","Hu, Xiao-Hui; Liang, Yan; Li, Chen; Yi, Xiao-Yi","Multi-nuclear silver(i) and copper(i) complexes: a novel bonding mode for bispyridylpyrrolides.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2458","2464","10.1039/c3dt52794h","","","0.71073","MoKα","","0.0257","0.0205","","","0.0671","0.0793","","","","","","1.024","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028767","12.4463","0.0002","12.9013","0.0002","14.0856","0.0002","66.158","0.001","69.556","0.001","74.933","0.001","1919.76","0.05","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C54 H76 Ag4 F6 Li4 N6 O20 P4 S2 -","- C54 H76 Ag4 F6 Li4 N6 O20 P4 S2 -","- C54 H76 Ag4 F6 Li4 N6 O20 P4 S2 -","1","0.5","","Hu, Xiao-Hui; Liang, Yan; Li, Chen; Yi, Xiao-Yi","Multi-nuclear silver(i) and copper(i) complexes: a novel bonding mode for bispyridylpyrrolides.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2458","2464","10.1039/c3dt52794h","","","0.71073","MoKα","","0.0459","0.0361","","","0.1047","0.1141","","","","","","1.01","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028768","11.6882","0.0003","30.6434","0.0008","18.0484","0.0005","90","","90","","90","","6464.3","0.3","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H36 Cu N6 Na O2 -","- C36 H36 Cu N6 Na O2 -","- C288 H288 Cu8 N48 Na8 O16 -","8","0.5","","Hu, Xiao-Hui; Liang, Yan; Li, Chen; Yi, Xiao-Yi","Multi-nuclear silver(i) and copper(i) complexes: a novel bonding mode for bispyridylpyrrolides.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2458","2464","10.1039/c3dt52794h","","","0.71073","MoKα","","0.018","0.0178","","","0.053","0.0532","","","","","","1.049","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028769","7.8073","0.0016","15.31","0.003","16.63","0.003","110.57","0.03","98.3","0.03","96.19","0.03","1814.4","0.8","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H18 Ag2 Br4 F6 N6 O6 S2 -","- C30 H18 Ag2 Br4 F6 N6 O6 S2 -","- C60 H36 Ag4 Br8 F12 N12 O12 S4 -","2","1","","Hu, Xiao-Hui; Liang, Yan; Li, Chen; Yi, Xiao-Yi","Multi-nuclear silver(i) and copper(i) complexes: a novel bonding mode for bispyridylpyrrolides.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2458","2464","10.1039/c3dt52794h","","","0.71073","MoKα","","0.0355","0.0266","","","0.0585","0.0679","","","","","","1.059","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028770","10.0978","0.0008","10.5238","0.0008","10.7062","0.0008","87.94","0.001","73.828","0.001","63.099","0.001","969.05","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H32 Ag3 Al Mo6 N2 O34 -","- C16 H26 Ag3 Al Mo6 N2 O34 -","- C16 H26 Ag3 Al Mo6 N2 O34 -","1","0.5","","Hu, Ying; An, Haiyan; Liu, Xuan; Yin, Jiqiu; Wang, Huilong; Zhang, Hua; Wang, Lin","pH-controlled assembly of hybrid architectures based on Anderson-type polyoxometalates and silver coordination units.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2488","2498","10.1039/c3dt52987h","","","0.71073","MoKα","","0.0244","0.0226","","","0.0599","0.0611","","","","","","1.076","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028771","15.892","0.002","29.617","0.004","37.798","0.006","90","","90","","90","","17791","4","293","2","293","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C24 H34 Ag2 Al Mo6 N3 O33 -","- C24 H23 Ag2 Al Mo6 N3 O33 -","- C384 H368 Ag32 Al16 Mo96 N48 O528 -","16","0.5","","Hu, Ying; An, Haiyan; Liu, Xuan; Yin, Jiqiu; Wang, Huilong; Zhang, Hua; Wang, Lin","pH-controlled assembly of hybrid architectures based on Anderson-type polyoxometalates and silver coordination units.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2488","2498","10.1039/c3dt52987h","","","0.71073","MoKα","","0.0415","0.0359","","","0.0882","0.0914","","","","","","1.129","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028772","9.8882","0.0002","24.4954","0.0005","12.1347","0.0002","90","","101.653","0.001","90","","2878.63","0.1","220","","220","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H49 Ag2 Al Mo6 N4 Na2 O40 -","- C32 H20 Ag2 Al Mo6 N4 Na2 O40 -","- C64 H40 Ag4 Al2 Mo12 N8 Na4 O80 -","2","0.5","","Hu, Ying; An, Haiyan; Liu, Xuan; Yin, Jiqiu; Wang, Huilong; Zhang, Hua; Wang, Lin","pH-controlled assembly of hybrid architectures based on Anderson-type polyoxometalates and silver coordination units.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2488","2498","10.1039/c3dt52987h","","","0.71073","MoKα","","0.0372","0.0354","","","0.0926","0.0939","","","","","","1.096","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028773","12.9924","0.0002","18.5019","0.0003","18.401","0.0003","90","","91.909","0.001","90","","4420.85","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H91 Dy8 N12 O60 -","- C57 H91 Dy8 N16 O56 -","- C114 H182 Dy16 N32 O112 -","2","0.5","","Zou, Hua-Hong; Wang, Rong; Chen, Zi-Lu; Liu, Dong-Cheng; Liang, Fu-Pei","Series of edge-sharing bi-triangle Ln4 clusters with a μ4-NO3(-) bridge: syntheses, structures, luminescence, and the SMM behavior of the Dy4 analogue.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2581","2587","10.1039/c3dt52316k","","","0.71073","MoKα","","0.0353","0.0277","","","0.0604","0.0651","","","","","","1.068","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028774","12.9948","0.0001","18.5239","0.0001","18.4141","0.0001","90","","92.081","0.001","90","","4429.62","0.05","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Er4 Gd0 N8 O28 Tb0 -","- C28 H40 Er4 N8 O28 -","- C112 H160 Er16 N32 O112 -","4","1","","Zou, Hua-Hong; Wang, Rong; Chen, Zi-Lu; Liu, Dong-Cheng; Liang, Fu-Pei","Series of edge-sharing bi-triangle Ln4 clusters with a μ4-NO3(-) bridge: syntheses, structures, luminescence, and the SMM behavior of the Dy4 analogue.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2581","2587","10.1039/c3dt52316k","","","0.71073","MoKα","","0.0204","0.0185","","","0.0431","0.0438","","","","","","1.107","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028775","13.0995","0.0002","18.6905","0.0003","18.3907","0.0003","90","","91.718","0.001","90","","4500.69","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Gd4 N8 O28 Tb0 -","- C28 H44 Gd4 N8 O28 -","- C112 H176 Gd16 N32 O112 -","4","1","","Zou, Hua-Hong; Wang, Rong; Chen, Zi-Lu; Liu, Dong-Cheng; Liang, Fu-Pei","Series of edge-sharing bi-triangle Ln4 clusters with a μ4-NO3(-) bridge: syntheses, structures, luminescence, and the SMM behavior of the Dy4 analogue.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2581","2587","10.1039/c3dt52316k","","","0.71073","MoKα","","0.0557","0.0398","","","0.0808","0.0921","","","","","","1.041","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028776","12.9948","0.0001","18.5239","0.0001","18.4141","0.0001","90","","92.081","0.001","90","","4429.62","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H45 Ho4 N7 O29 -","- C27 H45 Ho4 N7 O29 -","- C108 H180 Ho16 N28 O116 -","4","1","","Zou, Hua-Hong; Wang, Rong; Chen, Zi-Lu; Liu, Dong-Cheng; Liang, Fu-Pei","Series of edge-sharing bi-triangle Ln4 clusters with a μ4-NO3(-) bridge: syntheses, structures, luminescence, and the SMM behavior of the Dy4 analogue.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2581","2587","10.1039/c3dt52316k","","","0.71073","MoKα","","0.0181","0.0163","","","0.0361","0.0368","","","","","","1.051","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028777","12.9948","0.0004","18.5239","0.0005","18.4141","0.0005","90","","92.081","0.002","90","","4429.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 N8 O28 Tb4 -","- C28 H44 N8 O28 Tb4 -","- C112 H176 N32 O112 Tb16 -","4","1","","Zou, Hua-Hong; Wang, Rong; Chen, Zi-Lu; Liu, Dong-Cheng; Liang, Fu-Pei","Series of edge-sharing bi-triangle Ln4 clusters with a μ4-NO3(-) bridge: syntheses, structures, luminescence, and the SMM behavior of the Dy4 analogue.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2581","2587","10.1039/c3dt52316k","","","0.71073","MoKα","","0.0291","0.0236","","","0.0497","0.053","","","","","","1.08","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028778","12.8569","0.0001","18.3187","0.0001","18.3729","0.0001","90","","92.063","0.001","90","","4324.41","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 N8 O28 Yb4 -","- C28 H44 N8 O28 Yb4 -","- C112 H176 N32 O112 Yb16 -","4","1","","Zou, Hua-Hong; Wang, Rong; Chen, Zi-Lu; Liu, Dong-Cheng; Liang, Fu-Pei","Series of edge-sharing bi-triangle Ln4 clusters with a μ4-NO3(-) bridge: syntheses, structures, luminescence, and the SMM behavior of the Dy4 analogue.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2581","2587","10.1039/c3dt52316k","","","0.71073","MoKα","","0.0271","0.0242","","","0.0601","0.0618","","","","","","0.988","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028779","7.4141","0.0002","8.9708","0.0004","16.1229","0.0007","79.577","0.004","84.28","0.003","84.316","0.003","1045.79","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 O6 Ru -","- C24 H22 O6 Ru -","- C48 H44 O12 Ru2 -","2","1","","Mandal, Abhishek; Kundu, Tanaya; Ehret, Fabian; Bubrin, Martina; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Varying electronic structural forms of ruthenium complexes of non-innocent 9,10-phenanthrenequinonoid ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2473","2487","10.1039/c3dt53104j","","","1.5418","CuKα","","0.0468","0.0446","","","0.1262","0.1297","","","","","","1.062","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028780","25.1917","0.0004","20.718","0.0004","36.2929","0.0005","90","","105.97","0.002","90","","18211","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H112 N7 O14 Ru3.5 -","- C90 H98 N7 O14 Ru3.5 -","- C720 H784 N56 O112 Ru28 -","8","1","","Mandal, Abhishek; Kundu, Tanaya; Ehret, Fabian; Bubrin, Martina; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Varying electronic structural forms of ruthenium complexes of non-innocent 9,10-phenanthrenequinonoid ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2473","2487","10.1039/c3dt53104j","","","0.71073","MoKα","","0.0409","0.032","","","0.0817","0.0859","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028781","16.7929","0.0002","14.6472","0.0001","19.3765","0.0002","90","","112.836","0.001","90","","4392.45","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O5 Ru -","- C24 H23 N O5 Ru -","- C192 H184 N8 O40 Ru8 -","8","2","","Mandal, Abhishek; Kundu, Tanaya; Ehret, Fabian; Bubrin, Martina; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Varying electronic structural forms of ruthenium complexes of non-innocent 9,10-phenanthrenequinonoid ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2473","2487","10.1039/c3dt53104j","","","0.71073","MoKα","","0.0287","0.0245","","","0.0598","0.0616","","","","","","1.032","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028782","10.941","0.0004","11.2485","0.0004","12.2043","0.0005","104.787","0.003","90.745","0.003","94.22","0.003","1447.51","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H86 Co2 Dy2 N2 O20 -","- C44 H86 Co2 Dy2 N2 O20 -","- C44 H86 Co2 Dy2 N2 O20 -","1","0.5","","Funes, Alejandro V.; Carrella, Luca; Rentschler, Eva; Alborés, Pablo","{Co(III)2Dy(III)2} single molecule magnet with two resolved thermal activated magnetization relaxation pathways at zero field.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2361","2364","10.1039/c3dt52765d","","","0.71069","MoKα","","0.0557","0.0384","","","0.0878","0.1011","","","","","","1.076","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028783","10.293","0.003","15.167","0.004","16.176","0.004","81.41","0.03","74","0.03","71.62","0.03","2298.2","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H72 Ca N2 O6 -","- C47 H72 Ca N2 O6 -","- C94 H144 Ca2 N4 O12 -","2","1","","Wojtaszak, Jakub; Mierzwicki, Krzysztof; Szafert, Sławomir; Gulia, Nurbey; Ejfler, Jolanta","Homoleptic aminophenolates of Zn, Mg and Ca. Synthesis, structure, DFT studies and polymerization activity in ROP of lactides.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2424","2436","10.1039/c3dt52868e","","","0.71073","MoKα","","0.1862","0.0688","","","0.1393","0.1799","","","","","","0.9","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028784","18.403","0.004","19.279","0.004","25.718","0.005","90","","110.61","0.02","90","","8541","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H66 Cl2 N2 O6 Zn -","- C41 H66 Cl2 N2 O6 Zn -","- C328 H528 Cl16 N16 O48 Zn8 -","8","1","","Wojtaszak, Jakub; Mierzwicki, Krzysztof; Szafert, Sławomir; Gulia, Nurbey; Ejfler, Jolanta","Homoleptic aminophenolates of Zn, Mg and Ca. Synthesis, structure, DFT studies and polymerization activity in ROP of lactides.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2424","2436","10.1039/c3dt52868e","","","0.71073","MoKα","","0.1143","0.0765","","","0.1994","0.2274","","","","","","1.048","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028785","9.0054","0.0004","11.3687","0.0004","27.7723","0.0012","90","","91.035","0.004","90","","2842.9","0.2","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 N4 O4 Zr -","- C24 H48 N4 O4 Zr -","- C96 H192 N16 O16 Zr4 -","4","1","","Banerjee, Manish; Seidel, Rüdiger W; Winter, Manuela; Becker, Hans-Werner; Rogalla, Detlef; Devi, Anjana","Novel β-ketoiminato complexes of zirconium: synthesis, characterization and evaluation for solution based processing of ZrO2 thin films.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2384","2396","10.1039/c3dt52335g","","","0.71073","MoKα","","0.0401","0.0332","","","0.074","0.0764","","","","","","1.161","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028786","20.5933","0.0013","9.71","0.0005","17.6258","0.0012","90","","117.329","0.008","90","","3131.1","0.4","104","2","104","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H52 N4 O4 Zr -","- C26 H52 N4 O4 Zr -","- C104 H208 N16 O16 Zr4 -","4","0.5","","Banerjee, Manish; Seidel, Rüdiger W; Winter, Manuela; Becker, Hans-Werner; Rogalla, Detlef; Devi, Anjana","Novel β-ketoiminato complexes of zirconium: synthesis, characterization and evaluation for solution based processing of ZrO2 thin films.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2384","2396","10.1039/c3dt52335g","","","0.71073","MoKα","","0.0416","0.0331","","","0.0748","0.0782","","","","","","1.126","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028787","22.7484","0.0011","9.664","0.0003","30.8841","0.0015","90","","100.737","0.004","90","","6670.7","0.5","112","2","112","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H58 N6 O2 Zr -","- C28 H58 N6 O2 Zr -","- C224 H464 N48 O16 Zr8 -","8","2","","Banerjee, Manish; Seidel, Rüdiger W; Winter, Manuela; Becker, Hans-Werner; Rogalla, Detlef; Devi, Anjana","Novel β-ketoiminato complexes of zirconium: synthesis, characterization and evaluation for solution based processing of ZrO2 thin films.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2384","2396","10.1039/c3dt52335g","","","0.71073","MoKα","","0.1104","0.0533","","","0.0881","0.1058","","","","","","1.013","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028788","19.2359","0.0018","18.1915","0.0015","10.2582","0.0009","90","","90","","90","","3589.7","0.5","113","2","113","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H56 N4 O8 Zr -","- C32 H56 N4 O8 Zr -","- C128 H224 N16 O32 Zr4 -","4","0.5","","Banerjee, Manish; Seidel, Rüdiger W; Winter, Manuela; Becker, Hans-Werner; Rogalla, Detlef; Devi, Anjana","Novel β-ketoiminato complexes of zirconium: synthesis, characterization and evaluation for solution based processing of ZrO2 thin films.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2384","2396","10.1039/c3dt52335g","","","0.71073","MoKα","","0.1294","0.0608","","","0.1266","0.155","","","","","","1.02","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028789","9.9999","0.0008","10.4571","0.0008","12.1982","0.0012","110.312","0.008","96.841","0.007","113.111","0.007","1050.9","0.2","111","2","111","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H70 N2 O10 Zr2 -","- C34 H70 N2 O10 Zr2 -","- C34 H70 N2 O10 Zr2 -","1","0.5","","Banerjee, Manish; Seidel, Rüdiger W; Winter, Manuela; Becker, Hans-Werner; Rogalla, Detlef; Devi, Anjana","Novel β-ketoiminato complexes of zirconium: synthesis, characterization and evaluation for solution based processing of ZrO2 thin films.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2384","2396","10.1039/c3dt52335g","","","0.71073","MoKα","","0.1107","0.0691","","","0.1231","0.1413","","","","","","1.056","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028790","8.3969","0.0009","10.2686","0.001","10.6756","0.0011","93.762","0.001","111.311","0.001","93.666","0.001","851.88","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N O4 P2 -","- C18 H19 N O4 P2 -","- C36 H38 N2 O8 P4 -","2","1","","Johnson, Kevin R. D.; Hayes, Paul G.","A cascade reaction: ring-opening insertion of dioxaphospholane into lutetium alkyl bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2448","2457","10.1039/c3dt52790e","","","0.71073","MoKα","","0.0523","0.0374","","","0.0905","0.098","","","","","","1.021","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028791","10.3386","0.0007","20.4403","0.0013","32.986","0.002","90","","90","","90","","6970.7","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H44 N3 O4 P2 -","- C39 H44 N3 O4 P2 -","- C312 H352 N24 O32 P16 -","8","1","","Johnson, Kevin R. D.; Hayes, Paul G.","A cascade reaction: ring-opening insertion of dioxaphospholane into lutetium alkyl bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2448","2457","10.1039/c3dt52790e","","","0.71073","MoKα","","0.0475","0.0382","","","0.0986","0.1054","","","","","","1.053","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028792","14.763","0.005","18.123","0.006","19.174","0.006","80.777","0.004","84.329","0.004","83.766","0.004","5016","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H124 Lu2 N6 O8 P4 Si4 -","- C88 H124 Lu2 N6 O8 P4 Si4 -","- C176 H248 Lu4 N12 O16 P8 Si8 -","2","1","","Johnson, Kevin R. D.; Hayes, Paul G.","A cascade reaction: ring-opening insertion of dioxaphospholane into lutetium alkyl bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2448","2457","10.1039/c3dt52790e","","","0.71073","MoKα","","0.0814","0.0457","","","0.0884","0.0988","","","","","","0.916","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028793","9.1607","0.0008","13.0306","0.0011","22.4758","0.0018","91.967","0.001","96.57","0.001","102.465","0.001","2597.7","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H104 F12 N16 O14 Rh4 S4 -","- C98 H104 F12 N16 O14 Rh4 S4 -","- C98 H104 F12 N16 O14 Rh4 S4 -","1","0.5","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Design and self-assembly of variform organometallic macrocycle with terminal imidazole-based bridging ligands utilizing joints twist and rotation.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2356","2360","10.1039/c3dt52724g","","","0.71073","MoKα","","0.0435","0.0338","","","0.0942","0.1076","","","","","","1.047","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028794","36.2926","0.0008","16.2805","0.0004","28.4835","0.0006","90","","123.074","0.001","90","","14102.8","0.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H116 F6 Ir2 N8 O14 S2 -","- C68 H70 F6 Ir2 N8 O7 S2 -","- C544 H560 F48 Ir16 N64 O56 S16 -","8","1","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Design and self-assembly of variform organometallic macrocycle with terminal imidazole-based bridging ligands utilizing joints twist and rotation.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2356","2360","10.1039/c3dt52724g","","","1.54178","CuKα","","0.0976","0.087","","","0.2003","0.2103","","","","","","1.01","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028795","36.307","0.003","16.2368","0.0014","28.488","0.002","90","","123.135","0.001","90","","14063","2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H116 F6 N8 O14 Rh2 S2 -","- C68 H70 F6 N8 O7 Rh2 S2 -","- C544 H560 F48 N64 O56 Rh16 S16 -","8","1","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Design and self-assembly of variform organometallic macrocycle with terminal imidazole-based bridging ligands utilizing joints twist and rotation.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2356","2360","10.1039/c3dt52724g","","","0.71073","MoKα","","0.1218","0.0599","","","0.1364","0.1599","","","","","","0.933","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028796","31.441","0.005","17.427","0.003","23.221","0.004","90","","90","","90","","12723","4","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C60 H68 F6 N4 O12 Rh2 S2 -","- C60 H64 F6 N4 O10 Rh2 S2 -","- C480 H512 F48 N32 O80 Rh16 S16 -","8","0.5","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Design and self-assembly of variform organometallic macrocycle with terminal imidazole-based bridging ligands utilizing joints twist and rotation.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2356","2360","10.1039/c3dt52724g","","","0.71073","MoKα","","0.1212","0.0696","","","0.1527","0.174","","","","","","0.963","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028797","10.5413","0.0006","19.7935","0.001","11.4038","0.0006","90","","116.647","0.001","90","","2126.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N4 O5 S Zn -","- C20 H22 N4 O5 S Zn -","- C80 H88 N16 O20 S4 Zn4 -","4","1","","Fuchs, M. A.; Staudt, S.; Altesleben, C.; Walter, O.; Zevaco, T. A.; Dinjus, E.","A new air-stable zinc complex based on a 1,2-phenylene-diimino-2-cyanoacrylate ligand as an efficient catalyst of the epoxide-CO2 coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2344","2347","10.1039/c3dt52927d","","","0.71073","MoKα","","0.0275","0.0234","","","0.0593","0.0612","","","","","","1.044","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028798","15.2219","0.0017","15.9498","0.0018","21.121","0.002","90","","92.884","0.002","90","","5121.4","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cl2 N7 O3 Si2 Y3 -","- C44 H60 Cl2 N7 O3 Si2 Y3 -","- C176 H240 Cl8 N28 O12 Si8 Y12 -","4","1","","Yang, Song; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Feng, Zhijun; Wei, Yun; Miao, Hui; Guo, Liping; Wang, Fenhua; Zhang, Guangchao; Gu, Xiaoxia; Mu, Xiaolong","Synthesis, structure, and catalytic activity of novel trinuclear rare-earth metal amido complexes incorporating μ-η(5):η(1) bonding indolyl and μ3-oxo groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2521","2533","10.1039/c3dt51107c","","","0.71073","MoKα","","0.0973","0.0459","","","0.0923","0.1122","","","","","","1.004","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028799","15.7284","0.0008","22.4354","0.0012","14.1958","0.0007","90","","90","","90","","5009.3","0.4","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C44 H60 Cl2 Eu3 N7 O3 Si2 -","- C44 H60 Cl2 Eu3 N7 O3 Si2 -","- C176 H240 Cl8 Eu12 N28 O12 Si8 -","4","0.5","","Yang, Song; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Feng, Zhijun; Wei, Yun; Miao, Hui; Guo, Liping; Wang, Fenhua; Zhang, Guangchao; Gu, Xiaoxia; Mu, Xiaolong","Synthesis, structure, and catalytic activity of novel trinuclear rare-earth metal amido complexes incorporating μ-η(5):η(1) bonding indolyl and μ3-oxo groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2521","2533","10.1039/c3dt51107c","","","0.71073","MoKα","","0.0392","0.0316","","","0.0806","0.0869","","","","","","1.099","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7028800","15.2357","0.001","15.9351","0.001","21.1225","0.0013","90","","92.929","0.001","90","","5121.5","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cl2 Dy3 N7 O3 Si2 -","- C44 H60 Cl2 Dy3 N7 O3 Si2 -","- C176 H240 Cl8 Dy12 N28 O12 Si8 -","4","1","","Yang, Song; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Feng, Zhijun; Wei, Yun; Miao, Hui; Guo, Liping; Wang, Fenhua; Zhang, Guangchao; Gu, Xiaoxia; Mu, Xiaolong","Synthesis, structure, and catalytic activity of novel trinuclear rare-earth metal amido complexes incorporating μ-η(5):η(1) bonding indolyl and μ3-oxo groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2521","2533","10.1039/c3dt51107c","","","0.71073","MoKα","","0.0412","0.029","","","0.0666","0.0759","","","","","","1.111","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028801","15.1702","0.0008","15.9503","0.0009","21.0875","0.0011","90","","92.896","0.001","90","","5096","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cl2 Er3 N7 O3 Si2 -","- C44 H60 Cl2 Er3 N7 O3 Si2 -","- C176 H240 Cl8 Er12 N28 O12 Si8 -","4","1","","Yang, Song; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Feng, Zhijun; Wei, Yun; Miao, Hui; Guo, Liping; Wang, Fenhua; Zhang, Guangchao; Gu, Xiaoxia; Mu, Xiaolong","Synthesis, structure, and catalytic activity of novel trinuclear rare-earth metal amido complexes incorporating μ-η(5):η(1) bonding indolyl and μ3-oxo groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2521","2533","10.1039/c3dt51107c","","","0.71073","MoKα","","0.0648","0.0334","","","0.0613","0.0709","","","","","","1.012","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028802","20.733","0.002","14.303","0.0014","18.076","0.0018","90","","108.451","0.001","90","","5084.8","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 Cl2 N7 O3 Si2 Yb3 -","- C44 H60 Cl2 N7 O3 Si2 Yb3 -","- C176 H240 Cl8 N28 O12 Si8 Yb12 -","4","0.5","","Yang, Song; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Feng, Zhijun; Wei, Yun; Miao, Hui; Guo, Liping; Wang, Fenhua; Zhang, Guangchao; Gu, Xiaoxia; Mu, Xiaolong","Synthesis, structure, and catalytic activity of novel trinuclear rare-earth metal amido complexes incorporating μ-η(5):η(1) bonding indolyl and μ3-oxo groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2521","2533","10.1039/c3dt51107c","","","0.71073","MoKα","","0.0355","0.0307","","","0.0816","0.0855","","","","","","1.079","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028803","20.7098","0.0015","12.4225","0.0009","22.7076","0.0016","90","","108.226","0.001","90","","5548.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H68 Li N8 Si4 Yb -","- C44 H68 Li N8 Si4 Yb -","- C176 H272 Li4 N32 Si16 Yb4 -","4","1","","Yang, Song; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Feng, Zhijun; Wei, Yun; Miao, Hui; Guo, Liping; Wang, Fenhua; Zhang, Guangchao; Gu, Xiaoxia; Mu, Xiaolong","Synthesis, structure, and catalytic activity of novel trinuclear rare-earth metal amido complexes incorporating μ-η(5):η(1) bonding indolyl and μ3-oxo groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2521","2533","10.1039/c3dt51107c","","","0.71073","MoKα","","0.0754","0.0374","","","0.0849","0.0942","","","","","","0.957","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028804","13.4676","0.0013","17.2921","0.0017","45.497","0.004","90","","95.663","0.001","90","","10543.8","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H68 Dy Li N8 Si4 -","- C44 H68 Dy Li N8 Si4 -","- C352 H544 Dy8 Li8 N64 Si32 -","8","2","","Yang, Song; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Feng, Zhijun; Wei, Yun; Miao, Hui; Guo, Liping; Wang, Fenhua; Zhang, Guangchao; Gu, Xiaoxia; Mu, Xiaolong","Synthesis, structure, and catalytic activity of novel trinuclear rare-earth metal amido complexes incorporating μ-η(5):η(1) bonding indolyl and μ3-oxo groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2521","2533","10.1039/c3dt51107c","","","0.71073","MoKα","","0.1515","0.0687","","","0.1592","0.1877","","","","","","0.94","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7028805","18.406","0.0004","14.9168","0.0004","20.8645","0.0008","90","","121.577","0.002","90","","4880.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ru(CN)6][bipy2M2]","","","- C40 H70 N16 O10 Ru -","- C40 H70 N16 O10 Ru -","- C160 H280 N64 O40 Ru4 -","4","1","","Gago, Sandra; González, Jorge; Blasco, Salvador; Parola, A. Jorge; Albelda, M. T.; García-España, Enrique; Pina, Fernando","Protonation, coordination chemistry, cyanometallate ""supercomplex"" formation and fluorescence chemosensing properties of a bis(2,2'-bipyridino)cyclophane receptor.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2437","2447","10.1039/c3dt52061g","","","0.71073","MoKα","","0.073","0.0377","","","0.0969","0.103","","","","","","0.884","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028806","20.026","0.004","15.4487","0.0019","14.706","0.002","90","","108.555","0.017","90","","4313.2","1.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(H2bipy2M2)(ClO42)2","","","- C34 H56 Cl2 N10 O12 -","- C34 H56 Cl2 N10 O12 -","- C136 H224 Cl8 N40 O48 -","4","1","","Gago, Sandra; González, Jorge; Blasco, Salvador; Parola, A. Jorge; Albelda, M. T.; García-España, Enrique; Pina, Fernando","Protonation, coordination chemistry, cyanometallate ""supercomplex"" formation and fluorescence chemosensing properties of a bis(2,2'-bipyridino)cyclophane receptor.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2437","2447","10.1039/c3dt52061g","","","0.71073","MoKα","","0.3696","0.1309","","","0.335","0.4729","","","","","","0.97","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028807","8.3886","0.0003","10.4266","0.0004","13.586","0.0005","92.44","0.002","92.315","0.002","98.16","0.002","1173.9","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Cl2 Cu2 N4 O36 V10 -","- C24 H16 Cl2 Cu2 N4 O36 V10 -","- C24 H16 Cl2 Cu2 N4 O36 V10 -","1","0.5","","Iyer, Abishek K.; Roy, Soumyabrata; Haridasan, Remesh; Sarkar, Sumanta; Peter, Sebastian C.","Ligand mediated valence fluctuation of copper in new hybrid materials constructed from decavanadate and a Cu(1,10-phenanthroline) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2153","2160","10.1039/c3dt52484a","","","0.71073","MoKα","","0.0477","0.0428","","","0.1394","0.1425","","","","","","1.089","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028808","8.3733","0.0005","10.4132","0.0006","13.5904","0.0008","92.295","0.004","92.331","0.004","98.086","0.004","1170.98","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Cu2 N4 O38 V10 -","- C24 H16 Cu2 N4 O38 V10 -","- C24 H16 Cu2 N4 O38 V10 -","1","0.5","","Iyer, Abishek K.; Roy, Soumyabrata; Haridasan, Remesh; Sarkar, Sumanta; Peter, Sebastian C.","Ligand mediated valence fluctuation of copper in new hybrid materials constructed from decavanadate and a Cu(1,10-phenanthroline) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2153","2160","10.1039/c3dt52484a","","","0.71073","MoKα","","0.1313","0.07","","","0.163","0.1881","","","","","","0.949","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028809","8.4443","0.0005","10.7103","0.0007","11.8338","0.0008","71.646","0.001","84.246","0.001","81.5","0.001","1003.01","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H34 Cu Mo8 N8 O34 -","- C14 H28 Cu Mo8 N8 O34 -","- C14 H28 Cu Mo8 N8 O34 -","1","0.5","","Wang, Xiuli; Han, Na; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen","pH and amine-induced various octamolybdate-based metal-organic complexes: assembly, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2052","2060","10.1039/c3dt52494a","","","0.71073","MoKα","","0.0253","0.0237","","","0.0649","0.0659","","","","","","1.022","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028810","11.185","0.0007","13.413","0.0008","19.388","0.001","90","","124.583","0.001","90","","2394.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cu2 Mo4 N4 O22 -","- C10 H6 Cu2 Mo4 N4 O22 -","- C40 H24 Cu8 Mo16 N16 O88 -","4","1","","Wang, Xiuli; Han, Na; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen","pH and amine-induced various octamolybdate-based metal-organic complexes: assembly, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2052","2060","10.1039/c3dt52494a","","","0.71073","MoKα","","0.0444","0.0324","","","0.0869","0.0934","","","","","","1.041","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028811","11.2962","0.0008","11.7757","0.0008","12.1986","0.0008","89.534","0.001","88.851","0.001","86.514","0.001","1619.3","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H33 Cu7 Mo8 N14 O46 -","- C35 H28 Cu7 Mo8 N14 O46 -","- C35 H28 Cu7 Mo8 N14 O46 -","1","0.5","","Wang, Xiuli; Han, Na; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen","pH and amine-induced various octamolybdate-based metal-organic complexes: assembly, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2052","2060","10.1039/c3dt52494a","","","0.71073","MoKα","","0.0412","0.0373","","","0.0954","0.0975","","","","","","1.063","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7028812","18.5183","0.0016","18.5183","0.0016","17.4171","0.0015","90","","90","","90","","5972.8","0.9","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C22 H30 N7 Ni2 O9.5 -","- C22 H29 N7 Ni2 O9.5 -","- C176 H232 N56 Ni16 O76 -","8","1","","Ghosh, Aloke Kumar; Pait, Moumita; Shatruk, Michael; Bertolasi, Valerio; Ray, Debashis","Self-assembly of a [Ni8] carbonate cube incorporating four μ4-carbonato linkers through fixation of atmospheric CO2 by ligated [Ni2] complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1970","1973","10.1039/c3dt52999a","","","0.71073","MoKα","","0.0759","0.0525","","","0.1378","0.1597","","","","","","1.085","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028813","9.8106","0.0008","14.5843","0.0012","17.0062","0.0013","90","","104.409","0.001","90","","2356.7","0.3","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Al N O -","- C25 H32 Al N O -","- C100 H128 Al4 N4 O4 -","4","1","","Liu, Yan; Dong, Wei-Shi; Liu, Jing-Yu; Li, Yue-Sheng","Living ring-opening homo- and copolymerisation of ε-caprolactone and L-lactide by cyclic β-ketiminato aluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2244","2251","10.1039/c3dt52712c","","","0.71073","MoKα","","0.07","0.0495","","","0.1138","0.1254","","","","","","1.027","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028814","9.1373","0.0005","14.8039","0.0008","14.8329","0.0008","117.584","0.001","94.52","0.001","104.328","0.001","1678.77","0.16","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 Al N O -","- C19 H20 Al N O -","- C76 H80 Al4 N4 O4 -","4","2","","Liu, Yan; Dong, Wei-Shi; Liu, Jing-Yu; Li, Yue-Sheng","Living ring-opening homo- and copolymerisation of ε-caprolactone and L-lactide by cyclic β-ketiminato aluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2244","2251","10.1039/c3dt52712c","","","0.71073","MoKα","","0.0842","0.0552","","","0.12","0.1371","","","","","","1.022","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028815","7.9649","0.0007","15.0918","0.0013","15.0663","0.0013","90","","102.838","0.002","90","","1765.8","0.3","185","2","185","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Al F5 N O -","- C19 H15 Al F5 N O -","- C76 H60 Al4 F20 N4 O4 -","4","1","","Liu, Yan; Dong, Wei-Shi; Liu, Jing-Yu; Li, Yue-Sheng","Living ring-opening homo- and copolymerisation of ε-caprolactone and L-lactide by cyclic β-ketiminato aluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2244","2251","10.1039/c3dt52712c","","","0.71073","MoKα","","0.0723","0.0446","","","0.0976","0.1096","","","","","","1.015","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028816","12.6764","0.0008","18.1037","0.001","16.607","0.0009","90","","92.519","0.007","90","","3807.5","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H49 Mo N2 P5 Si -","- C35 H49 Mo N2 P5 Si -","- C140 H196 Mo4 N8 P20 Si4 -","4","1","","Broda, Henning; Hinrichsen, Svea; Krahmer, Jan; Näther, Christian; Tuczek, Felix","Molybdenum dinitrogen complexes supported by a silicon-centred tripod ligand and dppm or dmpm: tuning the activation of N2.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2007","2012","10.1039/c3dt52965g","","","0.71073","MoKα","","0.0468","0.0372","","","0.0867","0.092","","","","","","1.012","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028817","17.6769","0.0007","13.3006","0.0005","10.9901","0.0004","90","","90","","90","","2583.92","0.17","173","1","173","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H25 F6 N5 O4 P Re -","- C19 H25 F6 N5 O4 P Re -","- C76 H100 F24 N20 O16 P4 Re4 -","4","1","","Hock, Sebastian J.; Schaper, Lars-Arne; Pöthig, Alexander; Drees, Markus; Herdtweck, Eberhardt; Hiltner, Oliver; Herrmann, Wolfgang A.; Kühn, Fritz E","Synthesis and characterisation of chelated cationic ReI(CO)3bis(NHC)(WCA) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2259","2271","10.1039/c3dt52605d","","","0.71073","MoKα","","0.0229","0.021","","","0.0515","0.053","","","","","","1.142","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028818","11.6963","0.0004","12.6367","0.0004","15.3154","0.0005","98.234","0.002","98.282","0.002","90.816","0.002","2215.55","0.13","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C16 H19 F6 N5 O3 P Re -","- C16 H19 F6 N5 O3 P Re -","- C64 H76 F24 N20 O12 P4 Re4 -","4","2","","Hock, Sebastian J.; Schaper, Lars-Arne; Pöthig, Alexander; Drees, Markus; Herdtweck, Eberhardt; Hiltner, Oliver; Herrmann, Wolfgang A.; Kühn, Fritz E","Synthesis and characterisation of chelated cationic ReI(CO)3bis(NHC)(WCA) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2259","2271","10.1039/c3dt52605d","","x-ray","0.71073","MoKα","","0.0243","0.0206","","","0.0464","0.0481","","","","","","1.037","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028819","9.8542","0.0001","24.3821","0.0003","29.5971","0.0004","90","","96.311","0.001","90","","7068.08","0.15","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H73 F12 N11 O6 P2 Re2 -","- C66 H73 F12 N11 O6 P2 Re2 -","- C264 H292 F48 N44 O24 P8 Re8 -","4","1","","Hock, Sebastian J.; Schaper, Lars-Arne; Pöthig, Alexander; Drees, Markus; Herdtweck, Eberhardt; Hiltner, Oliver; Herrmann, Wolfgang A.; Kühn, Fritz E","Synthesis and characterisation of chelated cationic ReI(CO)3bis(NHC)(WCA) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2259","2271","10.1039/c3dt52605d","","x-ray","0.71073","MoKα","","0.0305","0.0219","","","0.0435","0.0461","","","","","","1.031","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7028820","33.2454","0.0009","8.9066","0.0002","27.3469","0.0008","90","","101.758","0.001","90","","7927.6","0.4","123","","123","","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H37 F6 N5 O3 P Re -","- C33 H37 F6 N5 O3 P Re -","- C264 H296 F48 N40 O24 P8 Re8 -","8","1","","Hock, Sebastian J.; Schaper, Lars-Arne; Pöthig, Alexander; Drees, Markus; Herdtweck, Eberhardt; Hiltner, Oliver; Herrmann, Wolfgang A.; Kühn, Fritz E","Synthesis and characterisation of chelated cationic ReI(CO)3bis(NHC)(WCA) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2259","2271","10.1039/c3dt52605d","","x-ray","0.71073","MoKα","","0.0468","0.0437","","","0.0829","0.0841","","","","","","1.289","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028821","15.4858","0.0004","28.1684","0.0008","15.2405","0.0004","90","","103.677","0.001","90","","6459.6","0.3","123","1","123","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H45 Al F36 N5 O7 Re -","- C52 H45 Al F36 N5 O7 Re -","- C208 H180 Al4 F144 N20 O28 Re4 -","4","1","","Hock, Sebastian J.; Schaper, Lars-Arne; Pöthig, Alexander; Drees, Markus; Herdtweck, Eberhardt; Hiltner, Oliver; Herrmann, Wolfgang A.; Kühn, Fritz E","Synthesis and characterisation of chelated cationic ReI(CO)3bis(NHC)(WCA) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2259","2271","10.1039/c3dt52605d","","","0.71073","MoKα","","0.0337","0.031","","","0.0721","0.0743","","","","","","1.032","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028822","36.876","0.0008","8.5127","0.0002","20.0287","0.0005","90","","114.398","0.0008","90","","5725.8","0.2","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H33 N4 O3 Re -","- C31 H33 N4 O3 Re -","- C248 H264 N32 O24 Re8 -","8","1","","Hock, Sebastian J.; Schaper, Lars-Arne; Pöthig, Alexander; Drees, Markus; Herdtweck, Eberhardt; Hiltner, Oliver; Herrmann, Wolfgang A.; Kühn, Fritz E","Synthesis and characterisation of chelated cationic ReI(CO)3bis(NHC)(WCA) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2259","2271","10.1039/c3dt52605d","","","0.71073","MoKα","","0.0143","0.0138","","","0.0342","0.0345","","","","","","1.102","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028823","5.1888","0.0005","7.4118","0.0007","7.6735","0.0007","101.179","0.003","105.067","0.003","90.335","0.003","279.06","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","lithium boron phosphorous oxide","trilithium monoboron diphosphorus octaoxygen","","- B Li3 O8 P2 -","- B Li3 O8 P2 -","- B2 Li6 O16 P4 -","2","1","","Hasegawa, Toru; Yamane, Hisanori","Synthesis, crystal structure and lithium ion conduction of Li3BP2O8.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2294","2300","10.1039/c3dt52917g","","","0.71075","MoKα","","0.0407","0.0329","","","0.0748","0.0809","","","","","","1.063","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7028824","13.595","0.005","15.962","0.005","20.831","0.005","90.352","0.005","90.037","0.005","112.077","0.005","4189","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H104 Cl6 Co2 N8 -","- C96 H104 Cl6 Co2 N8 -","- C192 H208 Cl12 Co4 N16 -","2","1","","Dey, Soumyajit; Rath, Sankar Prasad","Syn-anti conformational switching in an ethane-bridged Co(II)bisporphyrin induced by external stimuli: effects of inter-macrocyclic interactions, axial ligation and chemical and electrochemical oxidations.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2301","2314","10.1039/c3dt52784k","","","0.71069","MoKα","","0.1492","0.0842","","","0.1974","0.2388","","","","","","0.988","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028825","11.9193","0.0012","12.4194","0.0013","14.3773","0.0015","88.565","0.002","66.974","0.002","83.038","0.002","1943.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H122 Co2 N8 O4 -","- C90 H122 Co2 N8 O4 -","- C90 H122 Co2 N8 O4 -","1","0.5","","Dey, Soumyajit; Rath, Sankar Prasad","Syn-anti conformational switching in an ethane-bridged Co(II)bisporphyrin induced by external stimuli: effects of inter-macrocyclic interactions, axial ligation and chemical and electrochemical oxidations.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2301","2314","10.1039/c3dt52784k","","","0.71073","MoKα","","0.0609","0.0515","","","0.132","0.1415","","","","","","1.049","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028826","14.7397","0.0007","18.4955","0.0009","14.3836","0.0007","90","","98.392","0.001","90","","3879.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H92 Cl6 Co2 I4 N8 -","- C76 H92 Cl6 Co2 I4 N8 -","- C152 H184 Cl12 Co4 I8 N16 -","2","0.5","","Dey, Soumyajit; Rath, Sankar Prasad","Syn-anti conformational switching in an ethane-bridged Co(II)bisporphyrin induced by external stimuli: effects of inter-macrocyclic interactions, axial ligation and chemical and electrochemical oxidations.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2301","2314","10.1039/c3dt52784k","","","0.71073","MoKα","","0.0826","0.0543","","","0.1174","0.128","","","","","","1.054","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7028827","13.595","0.005","14.481","0.005","16.835","0.006","85.952","0.007","70.336","0.007","70.463","0.006","2938","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H150 Cl2 Co2 N16 O8 -","- C126 H150 Cl2 Co2 N16 O8 -","- C126 H150 Cl2 Co2 N16 O8 -","1","0.5","","Dey, Soumyajit; Rath, Sankar Prasad","Syn-anti conformational switching in an ethane-bridged Co(II)bisporphyrin induced by external stimuli: effects of inter-macrocyclic interactions, axial ligation and chemical and electrochemical oxidations.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2301","2314","10.1039/c3dt52784k","","","0.71073","MoKα","","0.1076","0.0644","","","0.1518","0.1809","","","","","","0.991","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028828","24.574","0.004","11.2196","0.0015","20.89","0.003","90","","110.473","0.003","90","","5395.8","1.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C100 H116 Cl20 Co2 N12 -","- C100 H116 Cl20 Co2 N12 -","- C200 H232 Cl40 Co4 N24 -","2","0.5","","Dey, Soumyajit; Rath, Sankar Prasad","Syn-anti conformational switching in an ethane-bridged Co(II)bisporphyrin induced by external stimuli: effects of inter-macrocyclic interactions, axial ligation and chemical and electrochemical oxidations.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2301","2314","10.1039/c3dt52784k","","","0.71073","MoKα","","0.0952","0.0616","","","0.1466","0.1683","","","","","","0.995","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028829","22.991","0.003","13.454","0.002","18.836","0.003","90","","110.454","0.002","90","","5459","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H114 Cl14 Co2 N18 -","- C98 H114 Cl14 Co2 N18 -","- C196 H228 Cl28 Co4 N36 -","2","0.5","","Dey, Soumyajit; Rath, Sankar Prasad","Syn-anti conformational switching in an ethane-bridged Co(II)bisporphyrin induced by external stimuli: effects of inter-macrocyclic interactions, axial ligation and chemical and electrochemical oxidations.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2301","2314","10.1039/c3dt52784k","","","0.71073","MoKα","","0.1144","0.0758","","","0.1897","0.2163","","","","","","1.03","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028830","8.6256","0.0005","11.7224","0.0009","13.1577","0.001","71.05","0.004","87.566","0.004","80.591","0.003","1241.3","0.16","123","2","113","2","","","","","","","","6","P -1","-P 1","2","[[Mn(dpaqOMe)(NO)]ClO4","","","- C24 H22 Cl Mn N6 O7 -","- C24 H22 Cl Mn N6 O7 -","- C48 H44 Cl2 Mn2 N12 O14 -","2","1","","Hitomi, Yutaka; Iwamoto, Yuji; Kodera, Masahito","Electronic tuning of nitric oxide release from manganese nitrosyl complexes by visible light irradiation: enhancement of nitric oxide release efficiency by the nitro-substituted quinoline ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2161","2167","10.1039/c3dt51719e","","","1.54187","CuKα","","0.0969","0.0752","","","0.1902","0.2268","","","","","","1.126","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7028831","12.3007","0.0005","13.3626","0.0006","14.1948","0.0007","90","","107.07","0.002","90","","2230.41","0.18","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[[Mn(dpaqCl)(NO)]ClO4","","","- C23 H20 Cl Mn N6 O6 -","- C23 H20 Cl Mn N6 O6 -","- C92 H80 Cl4 Mn4 N24 O24 -","4","1","","Hitomi, Yutaka; Iwamoto, Yuji; Kodera, Masahito","Electronic tuning of nitric oxide release from manganese nitrosyl complexes by visible light irradiation: enhancement of nitric oxide release efficiency by the nitro-substituted quinoline ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2161","2167","10.1039/c3dt51719e","","","1.54187","CuKα","","0.1479","0.108","","","0.2588","0.313","","","","","","1.09","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7028832","8.8812","0.0001","10.1471","0.0001","26.2914","0.0005","90","","92.9655","0.0008","90","","2366.17","0.06","113","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[[Mn(dpaqCl)(NO)]ClO4","","","- C23 H19 Cl2 Mn N6 O6 -","- C23 H19 Cl2 Mn N6 O6 -","- C92 H76 Cl8 Mn4 N24 O24 -","4","1","","Hitomi, Yutaka; Iwamoto, Yuji; Kodera, Masahito","Electronic tuning of nitric oxide release from manganese nitrosyl complexes by visible light irradiation: enhancement of nitric oxide release efficiency by the nitro-substituted quinoline ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2161","2167","10.1039/c3dt51719e","","","1.54187","CuKα","","0.0424","0.0346","","","0.0766","0.0809","","","","","","1.057","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7028833","8.5024","0.0001","7.2987","0.0001","21.7032","0.0005","90","","98.8707","0.0011","90","","1330.71","0.04","113","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","[[Mn(dpaqNO2)(NO)]ClO4","","","- C25 H22 Cl Mn N8 O8 -","- C25 H22 Cl Mn N8 O8 -","- C50 H44 Cl2 Mn2 N16 O16 -","2","1","","Hitomi, Yutaka; Iwamoto, Yuji; Kodera, Masahito","Electronic tuning of nitric oxide release from manganese nitrosyl complexes by visible light irradiation: enhancement of nitric oxide release efficiency by the nitro-substituted quinoline ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2161","2167","10.1039/c3dt51719e","","","1.54187","CuKα","","0.0599","0.0522","","","0.1136","0.123","","","","","","1.031","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028834","5.1611","0.0017","21.52","0.007","12.209","0.004","90","","101.474","0.006","90","","1328.9","0.8","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H26 N4 O4 -","- C32 H26 N4 O4 -","- C64 H52 N8 O8 -","2","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination networks based on combinations of a chiral neutral tecton with Hg(II), Cu(II) or Ni(II) neutral complexes as metallatectons.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2000","2006","10.1039/c3dt52850b","","","0.71073","MoKα","","0.1445","0.0791","","","0.1813","0.202","","","","","","1.024","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028835","21.6201","0.0006","29.5433","0.0009","5.0964","0.0002","90","","90","","90","","3255.22","0.19","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H26 Cl2 Hg N4 O4 -","- C32 H26 Cl2 Hg N4 O4 -","- C128 H104 Cl8 Hg4 N16 O16 -","4","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination networks based on combinations of a chiral neutral tecton with Hg(II), Cu(II) or Ni(II) neutral complexes as metallatectons.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2000","2006","10.1039/c3dt52850b","","","0.71073","MoKα","","0.0732","0.0514","","","0.1271","0.1372","","","","","","1.029","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028836","6.4908","0.0002","14.5434","0.0005","15.0317","0.0005","66.668","0.002","82.427","0.002","80.98","0.002","1283.01","0.08","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C46 H36 Cl4 Cu F12 N4 O8 -","- C46 H36 Cl4 Cu F12 N4 O8 -","- C46 H36 Cl4 Cu F12 N4 O8 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination networks based on combinations of a chiral neutral tecton with Hg(II), Cu(II) or Ni(II) neutral complexes as metallatectons.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2000","2006","10.1039/c3dt52850b","","","0.71073","MoKα","","0.0645","0.049","","","0.1359","0.1509","","","","","","1.058","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028837","8.2342","0.0005","19.7423","0.001","19.9269","0.0012","65.344","0.001","89.542","0.002","86.931","0.002","2939.4","0.3","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C44 H42 Cl12 Cu2 N4 O12 -","- C44 H42 Cl12 Cu2 N4 O12 -","- C88 H84 Cl24 Cu4 N8 O24 -","2","2","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination networks based on combinations of a chiral neutral tecton with Hg(II), Cu(II) or Ni(II) neutral complexes as metallatectons.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2000","2006","10.1039/c3dt52850b","","","0.71073","MoKα","","0.116","0.0632","","","0.1394","0.1626","","","","","","1.031","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028838","24.5378","0.0009","24.9529","0.0011","19.294","0.0007","90","","121.601","0.001","90","","10061.8","0.7","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C70 H62 Cl14 N8 Ni O10 -","- C70 H58 Cl14 N8 Ni O10 -","- C280 H232 Cl56 N32 Ni4 O40 -","4","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination networks based on combinations of a chiral neutral tecton with Hg(II), Cu(II) or Ni(II) neutral complexes as metallatectons.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2000","2006","10.1039/c3dt52850b","","","0.71073","MoKα","","0.1472","0.0957","","","0.2411","0.2605","","","","","","0.997","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7028839","12.254","0.003","12.594","0.003","17.033","0.004","110.208","0.005","95.567","0.006","98.637","0.005","2407.3","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H69 F N7 O8 -","- C46 H69 F N7 O8 -","- C92 H138 F2 N14 O16 -","2","1","","Chakraborty, Sourav; Dutta, Ranjan; Arunachalam, M.; Ghosh, Pradyut","Encapsulation of [X2(H2O)4]2- (X = F/Cl) clusters by pyridyl terminated tripodal amide receptor in aqueous medium: single crystal X-ray structural evidence.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2061","2068","10.1039/c3dt52694a","","","0.71073","MoKα","","0.1005","0.0861","","","0.2835","0.3015","","","","","","1.093","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028840","12.243","0.0017","12.9014","0.0018","15.817","0.002","71.15","0.003","87.662","0.004","88.303","0.004","2362","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H72 Cl N7 O6 -","- C46 H72 Cl N7 O6 -","- C92 H144 Cl2 N14 O12 -","2","1","","Chakraborty, Sourav; Dutta, Ranjan; Arunachalam, M.; Ghosh, Pradyut","Encapsulation of [X2(H2O)4]2- (X = F/Cl) clusters by pyridyl terminated tripodal amide receptor in aqueous medium: single crystal X-ray structural evidence.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2061","2068","10.1039/c3dt52694a","","","0.71073","MoKα","","0.1017","0.0529","","","0.1284","0.1538","","","","","","1.008","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028841","12.483","0.002","12.508","0.003","16.245","0.003","104.033","0.004","91.958","0.005","101.757","0.005","2399.8","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H132 F6 N14 O12 Si -","- C92 H132 F6 N14 O12 Si -","- C92 H132 F6 N14 O12 Si -","1","0.5","","Chakraborty, Sourav; Dutta, Ranjan; Arunachalam, M.; Ghosh, Pradyut","Encapsulation of [X2(H2O)4]2- (X = F/Cl) clusters by pyridyl terminated tripodal amide receptor in aqueous medium: single crystal X-ray structural evidence.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2061","2068","10.1039/c3dt52694a","","","0.71073","MoKα","","0.0955","0.0666","","","0.1919","0.2119","","","","","","1.212","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028842","11.7392","0.0009","19.3831","0.0015","34.18","0.003","90","","98.512","0.001","90","","7691.7","1.1","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H42 Br2 F36 N4 O18 Sm2 -","- C58 H42 Br2 F36 N4 O18 Sm2 -","- C232 H168 Br8 F144 N16 O72 Sm8 -","4","1","","Hu, Peng; Wang, Xiufeng; Ma, Yue; Wang, Qinglun; Li, Licun; Liao, Daizheng","A new family of Ln-radical chains (Ln = Nd, Sm, Gd, Tb and Dy): synthesis, structure, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2234","2243","10.1039/c3dt52959b","","","0.71073","MoKα","","0.0363","0.0325","","","0.0943","0.0976","","","","","","0.974","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028843","11.721","0.002","19.431","0.004","34.305","0.007","90","","98.53","0.03","90","","7727","3","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H42 Br2 F36 N4 Nd2 O18 -","- C58 H42 Br2 F36 N4 Nd2 O18 -","- C232 H168 Br8 F144 N16 Nd8 O72 -","4","1","","Hu, Peng; Wang, Xiufeng; Ma, Yue; Wang, Qinglun; Li, Licun; Liao, Daizheng","A new family of Ln-radical chains (Ln = Nd, Sm, Gd, Tb and Dy): synthesis, structure, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2234","2243","10.1039/c3dt52959b","","","0.71073","MoKα","","0.0576","0.0462","","","0.1027","0.1087","","","","","","1.042","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028844","11.822","0.007","19.451","0.01","34.17","0.019","90","","98.083","0.007","90","","7779","7","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H42 Br2 F36 Gd2 N4 O18 -","- C58 H42 Br2 F36 Gd2 N4 O18 -","- C232 H168 Br8 F144 Gd8 N16 O72 -","4","1","","Hu, Peng; Wang, Xiufeng; Ma, Yue; Wang, Qinglun; Li, Licun; Liao, Daizheng","A new family of Ln-radical chains (Ln = Nd, Sm, Gd, Tb and Dy): synthesis, structure, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2234","2243","10.1039/c3dt52959b","","","0.71073","MoKα","","0.1102","0.0945","","","0.2233","0.234","","","","","","1.01","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028845","11.8487","0.0014","19.418","0.002","34.089","0.004","90","","97.844","0.006","90","","7769.7","1.5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H42 Br2 F36 N4 O18 Tb2 -","- C58 H42 Br2 F36 N4 O18 Tb2 -","- C232 H168 Br8 F144 N16 O72 Tb8 -","4","1","","Hu, Peng; Wang, Xiufeng; Ma, Yue; Wang, Qinglun; Li, Licun; Liao, Daizheng","A new family of Ln-radical chains (Ln = Nd, Sm, Gd, Tb and Dy): synthesis, structure, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2234","2243","10.1039/c3dt52959b","","","0.71073","MoKα","","0.1387","0.1077","","","0.2476","0.2657","","","","","","1.119","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028846","11.778","0.004","19.37","0.007","34.026","0.011","90","","97.894","0.009","90","","7689","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H42 Br2 Dy2 F36 N4 O18 -","- C58 H42 Br2 Dy2 F36 N4 O18 -","- C232 H168 Br8 Dy8 F144 N16 O72 -","4","1","","Hu, Peng; Wang, Xiufeng; Ma, Yue; Wang, Qinglun; Li, Licun; Liao, Daizheng","A new family of Ln-radical chains (Ln = Nd, Sm, Gd, Tb and Dy): synthesis, structure, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2234","2243","10.1039/c3dt52959b","","","0.71073","MoKα","","0.1066","0.0889","","","0.2136","0.2243","","","","","","0.96","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028847","28.642","0.002","13.1862","0.0011","8.5395","0.0006","90","","91.66","0.005","90","","3223.8","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Cu N2 O5 -","- C12 H13 Cu N2 O5 -","- C96 H104 Cu8 N16 O40 -","8","1","","Bhattacharya, Biswajit; Haldar, Ritesh; Dey, Rajdip; Maji, Tapas Kumar; Ghoshal, Debajyoti","Porous coordination polymers based on functionalized Schiff base linkers: enhanced CO2 uptake by pore surface modification.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2272","2282","10.1039/c3dt52266k","","","0.71073","MoKα","","0.0599","0.0515","","","0.1713","0.1765","","","","","","1.296","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028848","29.2971","0.0011","13.1552","0.0004","8.5923","0.0003","90","","90.723","0.004","90","","3311.3","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Cu N2 O4 -","- C12 H13 Cu N2 O4 -","- C96 H104 Cu8 N16 O32 -","8","1","","Bhattacharya, Biswajit; Haldar, Ritesh; Dey, Rajdip; Maji, Tapas Kumar; Ghoshal, Debajyoti","Porous coordination polymers based on functionalized Schiff base linkers: enhanced CO2 uptake by pore surface modification.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2272","2282","10.1039/c3dt52266k","","","0.71073","MoKα","","0.0855","0.0487","","","0.1435","0.1732","","","","","","1.036","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028849","29.135","0.005","13.191","0.005","8.599","0.005","90","0.005","90.247","0.005","90","0.005","3305","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Cu N2 O5 -","- C12 H13 Cu N2 O5 -","- C96 H104 Cu8 N16 O40 -","8","1","","Bhattacharya, Biswajit; Haldar, Ritesh; Dey, Rajdip; Maji, Tapas Kumar; Ghoshal, Debajyoti","Porous coordination polymers based on functionalized Schiff base linkers: enhanced CO2 uptake by pore surface modification.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2272","2282","10.1039/c3dt52266k","","","0.71073","MoKα","","0.088","0.0546","","","0.1551","0.1793","","","","","","1.078","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028850","9.0842","0.0002","14.7259","0.0004","10.7959","0.0003","90","","107.083","0.001","90","","1380.48","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N2 O5 Zn -","- C14 H11 N2 O5 Zn -","- C56 H44 N8 O20 Zn4 -","4","1","","Bhattacharya, Biswajit; Haldar, Ritesh; Dey, Rajdip; Maji, Tapas Kumar; Ghoshal, Debajyoti","Porous coordination polymers based on functionalized Schiff base linkers: enhanced CO2 uptake by pore surface modification.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2272","2282","10.1039/c3dt52266k","","","0.71073","MoKα","","0.0317","0.0286","","","0.0721","0.0738","","","","","","1.083","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028851","7.7679","0.0003","15.717","0.0006","12.001","0.0005","90","","98.346","0.001","90","","1449.66","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 N4 O8 Zn2 -","- C30 H22 N4 O8 Zn2 -","- C60 H44 N8 O16 Zn4 -","2","0.5","","Bhattacharya, Biswajit; Haldar, Ritesh; Dey, Rajdip; Maji, Tapas Kumar; Ghoshal, Debajyoti","Porous coordination polymers based on functionalized Schiff base linkers: enhanced CO2 uptake by pore surface modification.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2272","2282","10.1039/c3dt52266k","","","0.71073","MoKα","","0.0489","0.0318","","","0.0731","0.0808","","","","","","1.043","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028852","7.7651","0.0014","9.6342","0.0018","11.281","0.002","79.378","0.003","70.513","0.003","87.642","0.003","781.8","0.2","297","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 Cl N2 O2 Se -","- C12 H23 Cl N2 O2 Se -","- C24 H46 Cl2 N4 O4 Se2 -","2","1","","Pop, Alexandra; Silvestru, Anca; Juárez-Pérez, Emilio José; Arca, Massimiliano; Lippolis, Vito; Silvestru, Cristian","Organoselenium(II) halides containing the pincer 2,6-(Me2NCH2)2C6H3 ligand‒an experimental and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2221","2233","10.1039/c3dt52886c","","","0.71073","MoKα","","0.0477","0.0424","","","0.1044","0.1073","","","","","","1.046","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7028853","14.7558","0.0018","11.3558","0.0014","18.666","0.002","90","","109.722","0.002","90","","2944.3","0.6","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H21 Cl N2 O Se -","- C12 H21 Cl N2 O Se -","- C96 H168 Cl8 N16 O8 Se8 -","8","1","","Pop, Alexandra; Silvestru, Anca; Juárez-Pérez, Emilio José; Arca, Massimiliano; Lippolis, Vito; Silvestru, Cristian","Organoselenium(II) halides containing the pincer 2,6-(Me2NCH2)2C6H3 ligand‒an experimental and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2221","2233","10.1039/c3dt52886c","","","0.71073","MoKα","","0.0347","0.0292","","","0.069","0.071","","","","","","1.027","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028854","9.487","0.0007","12.6148","0.0009","12.9073","0.0009","109.286","0.001","101.622","0.001","104.836","0.001","1338.37","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Cl4 N2 Sb Se -","- C24 H29 Cl4 N2 Sb Se -","- C48 H58 Cl8 N4 Sb2 Se2 -","2","1","","Pop, Alexandra; Silvestru, Anca; Juárez-Pérez, Emilio José; Arca, Massimiliano; Lippolis, Vito; Silvestru, Cristian","Organoselenium(II) halides containing the pincer 2,6-(Me2NCH2)2C6H3 ligand‒an experimental and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2221","2233","10.1039/c3dt52886c","","","0.71073","MoKα","","0.0341","0.0307","","","0.0739","0.0754","","","","","","1.177","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028855","37.3549","0.0008","9.4126","0.0002","18.9672","0.0005","90","","113.34","0.001","90","","6123.3","0.2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H55 Cl7 Ir2 N8 O -","- C66 H52 Cl7 Ir2 N8 O -","- C264 H208 Cl28 Ir8 N32 O4 -","4","0.5","","Schneider, Gabriel E.; Bolink, Henk J.; Constable, Edwin C.; Ertl, Cathrin D.; Housecroft, Catherine E.; Pertegàs, Antonio; Zampese, Jennifer A.; Kanitz, Andreas; Kessler, Florian; Meier, Sebastian B.","Chloride ion impact on materials for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1961","1964","10.1039/c3dt53229a","","","1.54178","CuKα","","0.0303","0.0263","","","0.0646","0.0676","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7028856","10.951","0.0005","19.9122","0.001","16.3883","0.0008","90","","97.298","0.002","90","","3544.7","0.3","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Cl Ir N4 O4 S2 -","- C40 H32 Cl Ir N4 O4 S2 -","- C160 H128 Cl4 Ir4 N16 O16 S8 -","4","1","","Schneider, Gabriel E.; Bolink, Henk J.; Constable, Edwin C.; Ertl, Cathrin D.; Housecroft, Catherine E.; Pertegàs, Antonio; Zampese, Jennifer A.; Kanitz, Andreas; Kessler, Florian; Meier, Sebastian B.","Chloride ion impact on materials for light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1961","1964","10.1039/c3dt53229a","","","1.54178","CuKα","","0.0356","0.029","","","0.0679","0.0706","","","","","","1.107","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028857","18.4788","0.001","18.4788","0.001","28.5885","0.0016","90","","90","","120","","8454.1","0.8","150","2","150","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C132 H78 Cl3 Mn6 N12 O32 -","- C132 H78 Cl3 Mn6 N12 O32 -","- C264 H156 Cl6 Mn12 N24 O64 -","2","0.166667","","Alexandropoulos, Dimitris I.; Mowson, Andrew M.; Pilkington, Melanie; Bekiari, Vlasoula; Christou, George; Stamatatos, Theocharis C.","Emissive molecular nanomagnets: introducing optical properties in triangular oximato {Mn(III)3} SMMs from the deliberate replacement of simple carboxylate ligands with their fluorescent analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1965","1969","10.1039/c3dt52571f","","","0.71073","MoKα","","0.1006","0.0926","","","0.2748","0.2842","","","","","","1.089","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028858","20.223","0.005","18.555","0.005","19.641","0.005","90","","118.303","0.01","90","","6489","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H42 Cl Mn3 N6 O14 -","- C54 H42 Cl Mn3 N6 O14 -","- C216 H168 Cl4 Mn12 N24 O56 -","4","1","","Alexandropoulos, Dimitris I.; Mowson, Andrew M.; Pilkington, Melanie; Bekiari, Vlasoula; Christou, George; Stamatatos, Theocharis C.","Emissive molecular nanomagnets: introducing optical properties in triangular oximato {Mn(III)3} SMMs from the deliberate replacement of simple carboxylate ligands with their fluorescent analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1965","1969","10.1039/c3dt52571f","","","0.71073","MoKα","","0.0946","0.0738","","","0.1675","0.1769","","","","","","1.083","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028859","7.5396","0.0002","9.2604","0.0003","14.9961","0.0004","93.703","0.001","100.584","0.001","107.011","0.001","976.35","0.05","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 Br2 F6 N2 O2 Pt -","- C16 H14 Br2 F6 N2 O2 Pt -","- C32 H28 Br4 F12 N4 O4 Pt2 -","2","1","","Lu, Norman; Hight, Lauren M.; McMillin, David R.; Jhuo, Jyun-Wei; Chung, Wei-Cheng; Lin, Kwan-Yu; Wen, Yuh-Sheng; Liu, Ling-Kang","Structure and emission studies of dimorphic crystals of [PtBr2(5,5'-bis(CF3CH2OCH2)-2,2'-bpy)] (1).","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2112","2119","10.1039/c3dt52713a","","","0.71073","MoKα","","0.0144","0.0132","","","0.0311","0.0314","","","","","","1.09","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028860","7.1269","0.0002","9.2336","0.0002","15.9319","0.0005","95.597","0.001","102.619","0.001","94.175","0.001","1013.43","0.05","250","0.1","250","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 Br2 F6 N2 O2 Pt -","- C16 H14 Br2 F6 N2 O2 Pt -","- C32 H28 Br4 F12 N4 O4 Pt2 -","2","1","","Lu, Norman; Hight, Lauren M.; McMillin, David R.; Jhuo, Jyun-Wei; Chung, Wei-Cheng; Lin, Kwan-Yu; Wen, Yuh-Sheng; Liu, Ling-Kang","Structure and emission studies of dimorphic crystals of [PtBr2(5,5'-bis(CF3CH2OCH2)-2,2'-bpy)] (1).","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2112","2119","10.1039/c3dt52713a","","","0.71073","MoKα","","0.046","0.0392","","","0.0966","0.0992","","","","","","1.127","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028861","7.1492","0.0002","9.2419","0.0002","15.9759","0.0004","95.29","0.001","102.563","0.001","93.596","0.001","1022.17","0.04","295","0.1","295","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 Br2 F6 N2 O2 Pt -","- C16 H14 Br2 F6 N2 O2 Pt -","- C32 H28 Br4 F12 N4 O4 Pt2 -","2","1","","Lu, Norman; Hight, Lauren M.; McMillin, David R.; Jhuo, Jyun-Wei; Chung, Wei-Cheng; Lin, Kwan-Yu; Wen, Yuh-Sheng; Liu, Ling-Kang","Structure and emission studies of dimorphic crystals of [PtBr2(5,5'-bis(CF3CH2OCH2)-2,2'-bpy)] (1).","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2112","2119","10.1039/c3dt52713a","","","0.71073","MoKα","","0.0246","0.0201","","","0.0479","0.0495","","","","","","1.048","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028862","7.5185","0.0003","9.2611","0.0003","14.9578","0.0005","93.465","0.002","100.823","0.001","106.817","0.001","971.91","0.06","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 Br2 F6 N2 O2 Pt -","- C16 H14 Br2 F6 N2 O2 Pt -","- C32 H28 Br4 F12 N4 O4 Pt2 -","2","1","","Lu, Norman; Hight, Lauren M.; McMillin, David R.; Jhuo, Jyun-Wei; Chung, Wei-Cheng; Lin, Kwan-Yu; Wen, Yuh-Sheng; Liu, Ling-Kang","Structure and emission studies of dimorphic crystals of [PtBr2(5,5'-bis(CF3CH2OCH2)-2,2'-bpy)] (1).","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2112","2119","10.1039/c3dt52713a","","","0.71073","MoKα","","0.0135","0.0127","","","0.0297","0.03","","","","","","1.105","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028863","7.5261","0.0002","9.2596","0.0003","14.9759","0.0005","93.591","0.001","100.702","0.001","106.922","0.001","973.51","0.05","125","0.1","125","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 Br2 F6 N2 O2 Pt -","- C16 H14 Br2 F6 N2 O2 Pt -","- C32 H28 Br4 F12 N4 O4 Pt2 -","2","1","","Lu, Norman; Hight, Lauren M.; McMillin, David R.; Jhuo, Jyun-Wei; Chung, Wei-Cheng; Lin, Kwan-Yu; Wen, Yuh-Sheng; Liu, Ling-Kang","Structure and emission studies of dimorphic crystals of [PtBr2(5,5'-bis(CF3CH2OCH2)-2,2'-bpy)] (1).","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2112","2119","10.1039/c3dt52713a","","","0.71073","MoKα","","0.0142","0.0131","","","0.0303","0.0307","","","","","","1.1","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028864","7.565","0.0002","9.2677","0.0002","15.0434","0.0004","93.945","0.001","100.345","0.001","107.144","0.001","983.1","0.04","200","0.1","200","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 Br2 F6 N2 O2 Pt -","- C16 H14 Br2 F6 N2 O2 Pt -","- C32 H28 Br4 F12 N4 O4 Pt2 -","2","1","","Lu, Norman; Hight, Lauren M.; McMillin, David R.; Jhuo, Jyun-Wei; Chung, Wei-Cheng; Lin, Kwan-Yu; Wen, Yuh-Sheng; Liu, Ling-Kang","Structure and emission studies of dimorphic crystals of [PtBr2(5,5'-bis(CF3CH2OCH2)-2,2'-bpy)] (1).","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2112","2119","10.1039/c3dt52713a","","","0.71073","MoKα","","0.0147","0.0133","","","0.031","0.0314","","","","","","1.083","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028865","7.6147","0.0002","9.2829","0.0002","15.1696","0.0003","94.413","0.001","99.808","0.001","107.229","0.001","999.91","0.04","295","0.1","295","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 Br2 F6 N2 O2 Pt -","- C16 H14 Br2 F6 N2 O2 Pt -","- C32 H28 Br4 F12 N4 O4 Pt2 -","2","1","","Lu, Norman; Hight, Lauren M.; McMillin, David R.; Jhuo, Jyun-Wei; Chung, Wei-Cheng; Lin, Kwan-Yu; Wen, Yuh-Sheng; Liu, Ling-Kang","Structure and emission studies of dimorphic crystals of [PtBr2(5,5'-bis(CF3CH2OCH2)-2,2'-bpy)] (1).","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2112","2119","10.1039/c3dt52713a","","","0.71073","MoKα","","0.0302","0.0267","","","0.0654","0.0668","","","","","","1.019","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028866","11.1275","0.0018","16.408","0.002","21.317","0.003","90","","115.206","0.011","90","","3521.5","0.9","173","2","173","2","","","","","","","Crystals obtained by slow diffusion setup.","5","P 1 21/c 1","-P 2ybc","14","Fe12a(bipy)","","","- C33 H42 Fe N4 O11 -","- C33 H42 Fe N4 O11 -","- C132 H168 Fe4 N16 O44 -","4","1","","Bauer, Wolfgang; Lochenie, Charles; Weber, Birgit","Synthesis and characterization of 1D iron(II) spin crossover coordination polymers with hysteresis.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1990","1999","10.1039/c3dt52635f","","","0.71073","MoKα","","0.1101","0.041","","","0.0463","0.0519","","","","","","0.69","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028867","11.1228","0.0009","11.8129","0.0009","13.317","0.0009","102.269","0.005","103.44","0.0041","95.9468","0.0039","1641.3","0.2","173","2","173","","","","","","","","","5","P -1","-P 1","2","Fe12b(bipy)","","","- C35 H38 Fe N5 O8 -","- C35 H38 Fe N5 O8 -","- C70 H76 Fe2 N10 O16 -","2","1","","Bauer, Wolfgang; Lochenie, Charles; Weber, Birgit","Synthesis and characterization of 1D iron(II) spin crossover coordination polymers with hysteresis.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1990","1999","10.1039/c3dt52635f","","","0.71073","MoKα","","0.114","0.0699","","","0.1644","0.1853","","","","","","1.056","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7028868","17.4036","0.0007","9.2806","0.0003","16.0476","0.0006","90","","121.179","0.001","90","","2217.55","0.14","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C23 H30 N2 P2 -","- C23 H30 N2 P2 -","- C92 H120 N8 P8 -","4","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Non-symmetric diphosphines based on the imidazole scaffold: an unusual group interchange involving Pd-CH3 and (imidazole)P-Ph cleavage.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1957","1960","10.1039/c3dt53025f","","","0.71073","MoKα","","0.0425","0.0338","","","0.0762","0.0805","","","","","","1.058","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028869","12.1693","0.0018","21.844","0.003","8.3719","0.0011","90","","90","","90","","2225.5","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H30 N2 P2 -","- C23 H30 N2 P2 -","- C92 H120 N8 P8 -","4","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Non-symmetric diphosphines based on the imidazole scaffold: an unusual group interchange involving Pd-CH3 and (imidazole)P-Ph cleavage.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1957","1960","10.1039/c3dt53025f","","","0.71073","MoKα","","0.0747","0.0444","","","0.0863","0.0953","","","","","","1.017","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028870","8.0415","0.0002","14.383","0.0004","21.4302","0.0005","90","","96.664","0.002","90","","2461.89","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Cl N2 P2 Pd -","- C24 H33 Cl N2 P2 Pd -","- C96 H132 Cl4 N8 P8 Pd4 -","4","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Non-symmetric diphosphines based on the imidazole scaffold: an unusual group interchange involving Pd-CH3 and (imidazole)P-Ph cleavage.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1957","1960","10.1039/c3dt53025f","","","0.71073","MoKα","","0.0401","0.0314","","","0.0783","0.0849","","","","","","1.086","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028871","9.7407","0.0003","14.4492","0.0004","17.6018","0.0005","90","","90","","90","","2477.37","0.12","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 Cl2 N2 P2 Pd -","- C23 H30 Cl2 N2 P2 Pd -","- C92 H120 Cl8 N8 P8 Pd4 -","4","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Non-symmetric diphosphines based on the imidazole scaffold: an unusual group interchange involving Pd-CH3 and (imidazole)P-Ph cleavage.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1957","1960","10.1039/c3dt53025f","","","0.71073","MoKα","","0.0222","0.019","","","0.0412","0.0423","","","","","","1.053","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028872","8.7612","0.0005","36.145","0.002","9.6899","0.0004","90","","123.139","0.004","90","","2569.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Cl N2 P2 Pd -","- C24 H33 Cl N2 P2 Pd -","- C96 H132 Cl4 N8 P8 Pd4 -","4","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Non-symmetric diphosphines based on the imidazole scaffold: an unusual group interchange involving Pd-CH3 and (imidazole)P-Ph cleavage.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1957","1960","10.1039/c3dt53025f","","","0.71073","MoKα","","0.1024","0.0671","","","0.1005","0.1078","","","","","","1.185","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028873","25.9649","0.0006","25.9649","0.0006","20.5993","0.0007","90","","90","","120","","12027","0.6","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H33 Cl N2 P2 Pd -","- C24 H33 Cl N2 P2 Pd -","- C432 H594 Cl18 N36 P36 Pd18 -","18","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Non-symmetric diphosphines based on the imidazole scaffold: an unusual group interchange involving Pd-CH3 and (imidazole)P-Ph cleavage.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1957","1960","10.1039/c3dt53025f","","","0.71073","MoKα","","0.0872","0.0477","","","0.1248","0.1401","","","","","","1.053","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028874","22.9948","0.0017","22.4923","0.0017","19.5321","0.0014","90","","106.602","0.004","90","","9681","1.3","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H77 Co N5 O P3 Zr -","- C46 H77 Co N5 O P3 Zr -","- C368 H616 Co8 N40 O8 P24 Zr8 -","8","2","","Zhou, Wen; Saper, Noam I.; Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.","Effect of ligand modification on the reactivity of phosphinoamide-bridged heterobimetallic Zr/Co complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1984","1989","10.1039/c3dt52133h","","","0.71073","MoKα","","0.0835","0.0405","","0.1006","0.0805","0.1006","","","","","","1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028875","12.0391","0.0003","19.7151","0.0005","21.9331","0.0006","90","","97.684","0.001","90","","5159.1","0.2","135","","135","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H69 Br2 Co N3 P3 Zr -","- C42 H69 Br2 Co N3 P3 Zr -","- C168 H276 Br8 Co4 N12 P12 Zr4 -","4","1","","Zhou, Wen; Saper, Noam I.; Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.","Effect of ligand modification on the reactivity of phosphinoamide-bridged heterobimetallic Zr/Co complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1984","1989","10.1039/c3dt52133h","","","0.71073","MoKα","","0.044","0.0291","","0.0713","0.0669","0.0713","","","","","","0.9491","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7028876","33.657","0.003","17.489","0.001","19.991","0.002","90","","96.718","0.003","90","","11686.5","1.7","133.2","","133.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H76 Cu1.5 F6 N3 O3 Sb -","- C61 H76 Cu1.5 F6 N3 O3 Sb -","- C488 H608 Cu12 F48 N24 O24 Sb8 -","8","1","","Asami, Kazutaka; Takashina, Akiko; Kobayashi, Misato; Iwatsuki, Satoshi; Yajima, Tatsuo; Kochem, Amélie; van Gastel, Maurice; Tani, Fumito; Kohzuma, Takamitsu; Thomas, Fabrice; Shimazaki, Yuichi","Characterization of one-electron oxidized copper(II)-salophen-type complexes; effects of electronic and geometrical structures on reactivities.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2283","2293","10.1039/c3dt52338a","","","0.7107","MoKα","","","0.0525","","","","0.1686","","","","","","0.561","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028877","10.8962","0.0017","12.008","0.002","13.632","0.003","89.71","0.004","81.617","0.004","84.038","0.004","1754.9","0.6","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H13 Cl2 Cu F6 N2 O4 Sb -","- C31 H36 Cl2 Cu F6 N2 O4 Sb -","- C62 H72 Cl4 Cu2 F12 N4 O8 Sb2 -","2","1","","Asami, Kazutaka; Takashina, Akiko; Kobayashi, Misato; Iwatsuki, Satoshi; Yajima, Tatsuo; Kochem, Amélie; van Gastel, Maurice; Tani, Fumito; Kohzuma, Takamitsu; Thomas, Fabrice; Shimazaki, Yuichi","Characterization of one-electron oxidized copper(II)-salophen-type complexes; effects of electronic and geometrical structures on reactivities.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2283","2293","10.1039/c3dt52338a","","","0.71075","MoKα","","","0.0857","","","","0.2547","","","","","","1.165","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028878","10.36","0.01","16.91","0.01","17.93","0.01","90","","103.68","0.02","90","","3052","4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","25,27-bis-{2,2'-[(1R,2R)-(1,2-diphenyl)-1,2-ethanediyl-bis-[nitrilomethyl- (2-hydroxy-3,1-phenylene)-oxy]]-ethoxy-N,N',O,O'}-26,28-bis-propyloxy- calix[4]arene-1,3-alternated-aqua-dioxo-uranium acetonitrile solvate","","- C70 H70 N4 O11 U -","- C70 H70 N4 O11 U -","- C140 H140 N8 O22 U2 -","2","1","","Bonaccorso, Carmela; Brancatelli, Giovanna; Ballistreri, Francesco P.; Geremia, Silvano; Pappalardo, Andrea; Tomaselli, Gaetano A.; Toscano, Rosa M.; Sciotto, Domenico","Novel chiral (salen)Mn(III) complexes containing a calix[4]arene unit in 1,3-alternate conformation as catalysts for enantioselective epoxidation reactions of (Z)-aryl alkenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2183","2193","10.1039/c3dt52550c","","","0.7","","","0.0668","0.0565","","","0.1423","0.1466","","","","","","0.994","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028879","11.9151","0.0012","12.7964","0.0011","20.0546","0.0019","90","","90","","90","","3057.7","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Ni O2 P2 S2 -","- C34 H32 Ni O2 P2 S2 -","- C136 H128 Ni4 O8 P8 S8 -","4","1","","Wrixon, Justin D.; Hayward, John J.; Raza, Osman; Rawson, Jeremy M.","Oxidative addition chemistry of tetrathiocines: synthesis, structures and properties of group 10 dithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2134","2139","10.1039/c3dt52802b","","","0.71073","MoKα","","0.0482","0.0426","","","0.0881","0.0903","","","","","","1.086","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028880","20.866","0.0021","20.866","0.0021","15.5435","0.0016","90","","90","","90","","6767.5","1.2","150","2","150","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C35 H34 Cl2 O2 P2 Pd S2 -","- C35 H34 Cl2 O2 P2 Pd S2 -","- C280 H272 Cl16 O16 P16 Pd8 S16 -","8","0.5","","Wrixon, Justin D.; Hayward, John J.; Raza, Osman; Rawson, Jeremy M.","Oxidative addition chemistry of tetrathiocines: synthesis, structures and properties of group 10 dithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2134","2139","10.1039/c3dt52802b","","","0.71073","MoKα","","0.0325","0.0289","","","0.0666","0.0688","","","","","","1.064","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028881","20.864","0.006","20.864","0.006","15.544","0.005","90","","90","","90","","6766","4","150","2","150","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C35 H34 Cl2 O2 P2 Pt S2 -","- C35 H34 Cl2 O2 P2 Pt S2 -","- C280 H272 Cl16 O16 P16 Pt8 S16 -","8","0.5","","Wrixon, Justin D.; Hayward, John J.; Raza, Osman; Rawson, Jeremy M.","Oxidative addition chemistry of tetrathiocines: synthesis, structures and properties of group 10 dithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2134","2139","10.1039/c3dt52802b","","","0.71073","MoKα","","0.0181","0.0172","","","0.0407","0.0411","","","","","","1.086","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7028882","11.2575","0.0005","12.755","0.0003","15.5389","0.0005","103.893","0.002","109.461","0.003","97.674","0.003","1985.85","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H58 B2 Fe2 N4 -","- C42 H58 B2 Fe2 N4 -","- C84 H116 B4 Fe4 N8 -","2","1","","Misra, Rajneesh; Jadhav, Thaksen; Mobin, Shaikh M.","Ferrocenyl pyrazaboles: design, synthesis, structure, and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2013","2022","10.1039/c3dt52315b","","","0.71073","MoKα","","0.0375","0.0325","","","0.0808","0.0838","","","","","","1.08","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028883","13.8211","0.0018","14.6473","0.0009","11.4189","0.001","90","","111.981","0.013","90","","2143.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 B Fe N2 -","- C23 H29 B Fe N2 -","- C92 H116 B4 Fe4 N8 -","4","1","","Misra, Rajneesh; Jadhav, Thaksen; Mobin, Shaikh M.","Ferrocenyl pyrazaboles: design, synthesis, structure, and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2013","2022","10.1039/c3dt52315b","","","0.71073","MoKα","","0.1102","0.0987","","","0.2878","0.2992","","","","","","1.107","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028884","17.2196","0.0006","13.2314","0.0004","21.5639","0.0007","90","","95.074","0.004","90","","4893.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 B Fe N2 -","- C29 H33 B Fe N2 -","- C232 H264 B8 Fe8 N16 -","8","1","","Misra, Rajneesh; Jadhav, Thaksen; Mobin, Shaikh M.","Ferrocenyl pyrazaboles: design, synthesis, structure, and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2013","2022","10.1039/c3dt52315b","","","0.71073","MoKα","","0.0648","0.046","","","0.112","0.1236","","","","","","1.031","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028885","10.315","0.002","24.927","0.007","11.256","0.002","90","","104.654","0.01","90","","2800","1.1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H76 Cl4 Cu4 N4 S4 -","- C44 H76 Cl4 Cu4 N4 S4 -","- C88 H152 Cl8 Cu8 N8 S8 -","2","0.5","","Najafabadi, Bahareh Khalili; Corrigan, John F.","N-heterocyclic carbenes as effective ligands for the preparation of stabilized copper- and silver-t-butylthiolate clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2104","2111","10.1039/c3dt52558a","","","0.71073","MoKα","","0.0518","0.0315","","","0.068","0.0743","","","","","","1.034","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7028886","10.363","0.002","23.568","0.006","11.579","0.003","90","","106.67","0.004","90","","2709.1","1.1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H80 Cl4 Cu4 N4 S4 -","- C40 H80 Cl4 Cu4 N4 S4 -","- C80 H160 Cl8 Cu8 N8 S8 -","2","0.5","","Najafabadi, Bahareh Khalili; Corrigan, John F.","N-heterocyclic carbenes as effective ligands for the preparation of stabilized copper- and silver-t-butylthiolate clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2104","2111","10.1039/c3dt52558a","","","0.71073","MoKα","","0.0401","0.0288","","","0.0702","0.0744","","","","","","1.032","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7028887","9.468","0.003","10.869","0.004","12.157","0.005","68.774","0.014","78.351","0.01","82.542","0.012","1140","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H78 Cu4 P2 S4 -","- C34 H78 Cu4 P2 S4 -","- C34 H78 Cu4 P2 S4 -","1","0.5","","Najafabadi, Bahareh Khalili; Corrigan, John F.","N-heterocyclic carbenes as effective ligands for the preparation of stabilized copper- and silver-t-butylthiolate clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2104","2111","10.1039/c3dt52558a","","","0.71073","MoKα","","0.0647","0.0368","","","0.0735","0.0821","","","","","","1.005","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028888","10.23","0.0014","13.023","0.002","18.533","0.003","90","","114.317","0.004","90","","2250","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H78 Cu4 P2 S4 -","- C34 H78 Cu4 P2 S4 -","- C68 H156 Cu8 P4 S8 -","2","0.5","","Najafabadi, Bahareh Khalili; Corrigan, John F.","N-heterocyclic carbenes as effective ligands for the preparation of stabilized copper- and silver-t-butylthiolate clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2104","2111","10.1039/c3dt52558a","","","0.71073","MoKα","","0.0442","0.0298","","","0.0592","0.0625","","","","","","1.016","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028889","9.99","0.003","12.648","0.004","23.429","0.009","78.597","0.013","78.069","0.009","80.553","0.012","2815.7","1.6","111","2","111","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H160 Ag8 N8 S8 -","- C98 H160 Ag8 N8 S8 -","- C98 H160 Ag8 N8 S8 -","1","0.5","","Najafabadi, Bahareh Khalili; Corrigan, John F.","N-heterocyclic carbenes as effective ligands for the preparation of stabilized copper- and silver-t-butylthiolate clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2104","2111","10.1039/c3dt52558a","","","0.71073","MoKα","","0.0778","0.0464","","","0.1068","0.1234","","","","","","1.051","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7028890","29.293","0.011","12.976","0.005","19.198","0.008","90","","98.423","0.007","90","","7219","5","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C47.38 H96.75 Ag6 N4 O0.34 S6 -","- C47.376 H96.752 Ag6 N4 O0.344 S6 -","- C189.504 H387.008 Ag24 N16 O1.376 S24 -","4","1","","Najafabadi, Bahareh Khalili; Corrigan, John F.","N-heterocyclic carbenes as effective ligands for the preparation of stabilized copper- and silver-t-butylthiolate clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2104","2111","10.1039/c3dt52558a","","","0.71073","MoKα","","0.0784","0.0523","","","0.1457","0.1648","","","","","","1.043","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028891","9.538","0.004","10.919","0.003","12.288","0.004","69.848","0.019","78.879","0.013","83.194","0.009","1177","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H78 Ag4 P2 S4 -","- C34 H78 Ag4 P2 S4 -","- C34 H78 Ag4 P2 S4 -","1","0.5","","Najafabadi, Bahareh Khalili; Corrigan, John F.","N-heterocyclic carbenes as effective ligands for the preparation of stabilized copper- and silver-t-butylthiolate clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2104","2111","10.1039/c3dt52558a","","","0.71073","MoKα","","0.0253","0.0191","","","0.0374","0.0396","","","","","","1.024","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028892","24.641","0.009","15.066","0.005","16.081","0.005","90","","90","","90","","5970","3","110","2","110","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C42 H96 Ag6 P2 S6 -","- C42 H96 Ag6 P2 S6 -","- C168 H384 Ag24 P8 S24 -","4","0.5","","Najafabadi, Bahareh Khalili; Corrigan, John F.","N-heterocyclic carbenes as effective ligands for the preparation of stabilized copper- and silver-t-butylthiolate clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2104","2111","10.1039/c3dt52558a","","","0.71073","MoKα","","0.0792","0.0411","","","0.0878","0.1056","","","","","","1.026","","","","has coordinates,has disorder","179994","2020-10-21","18:00:00",""
"7028893","12.1595","0.0002","10.5241","0.0003","19.7949","0.0005","90","","97.6003","0.0014","90","","2510.86","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 O6 P W -","- C27 H21 O6 P W -","- C108 H84 O24 P4 W4 -","4","1","","Streubel, Rainer; Kyri, Andreas Wolfgang; Duan, Lili; Schnakenburg, Gregor","Synthesis of Li/OR phosphinidenoid complexes: on the evidence for intramolecular O-Li donation and the effect of cation encapsulation.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2088","2097","10.1039/c3dt52269e","","","0.71073","MoKα","","0.0678","0.0398","","","0.0762","0.0841","","","","","","0.994","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028894","11.6274","0.0005","11.745","0.0005","17.5953","0.0009","90","","102.748","0.004","90","","2343.65","0.19","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 O6 P W -","- C25 H19 O6 P W -","- C100 H76 O24 P4 W4 -","4","1","","Streubel, Rainer; Kyri, Andreas Wolfgang; Duan, Lili; Schnakenburg, Gregor","Synthesis of Li/OR phosphinidenoid complexes: on the evidence for intramolecular O-Li donation and the effect of cation encapsulation.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2088","2097","10.1039/c3dt52269e","","","0.71073","MoKα","","0.054","0.0229","","","0.0311","0.0341","","","","","","0.95","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028895","8.5181","0.0005","8.6529","0.0005","13.6246","0.0008","93.925","0.005","99.505","0.005","108.288","0.004","932.62","0.1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 O6 P W -","- C16 H19 O6 P W -","- C32 H38 O12 P2 W2 -","2","1","","Streubel, Rainer; Kyri, Andreas Wolfgang; Duan, Lili; Schnakenburg, Gregor","Synthesis of Li/OR phosphinidenoid complexes: on the evidence for intramolecular O-Li donation and the effect of cation encapsulation.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2088","2097","10.1039/c3dt52269e","","","0.71073","MoKα","","0.0206","0.0199","","","0.0512","0.0515","","","","","","1.102","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028896","14.8631","0.0007","9.4639","0.0003","16.6281","0.0009","90","","106.845","0.004","90","","2238.6","0.18","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H25 O6 P Si2 W -","- C15 H25 O6 P Si2 W -","- C60 H100 O24 P4 Si8 W4 -","4","1","","Streubel, Rainer; Kyri, Andreas Wolfgang; Duan, Lili; Schnakenburg, Gregor","Synthesis of Li/OR phosphinidenoid complexes: on the evidence for intramolecular O-Li donation and the effect of cation encapsulation.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2088","2097","10.1039/c3dt52269e","","","0.71073","MoKα","","0.0314","0.0222","","","0.0485","0.0499","","","","","","0.927","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028897","9.6986","0.0005","9.4668","0.0006","22.8326","0.0012","90","","98.053","0.004","90","","2075.7","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 O6 P Si2 W -","- C13 H23 O6 P Si2 W -","- C52 H92 O24 P4 Si8 W4 -","4","1","","Streubel, Rainer; Kyri, Andreas Wolfgang; Duan, Lili; Schnakenburg, Gregor","Synthesis of Li/OR phosphinidenoid complexes: on the evidence for intramolecular O-Li donation and the effect of cation encapsulation.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2088","2097","10.1039/c3dt52269e","","","0.71073","MoKα","","0.1748","0.1187","","","0.0596","0.0677","","","","","","0.932","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028898","9.3698","0.0002","10.3785","0.0002","12.299","0.0002","76.1508","0.0014","85.9396","0.0014","88.6518","0.0012","1158.3","0.04","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H27 O6 P Si2 W -","- C15 H27 O6 P Si2 W -","- C30 H54 O12 P2 Si4 W2 -","2","1","","Streubel, Rainer; Kyri, Andreas Wolfgang; Duan, Lili; Schnakenburg, Gregor","Synthesis of Li/OR phosphinidenoid complexes: on the evidence for intramolecular O-Li donation and the effect of cation encapsulation.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2088","2097","10.1039/c3dt52269e","","","0.71073","MoKα","","0.0394","0.031","","","0.0574","0.0598","","","","","","1.011","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028899","16.6435","0.0007","9.4805","0.0004","14.8822","0.0007","90","","106.912","0.001","90","","2246.69","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 Mo O6 P Si2 -","- C15 H25 Mo O6 P Si2 -","- C60 H100 Mo4 O24 P4 Si8 -","4","1","","Streubel, Rainer; Kyri, Andreas Wolfgang; Duan, Lili; Schnakenburg, Gregor","Synthesis of Li/OR phosphinidenoid complexes: on the evidence for intramolecular O-Li donation and the effect of cation encapsulation.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2088","2097","10.1039/c3dt52269e","","","0.71073","MoKα","","0.039","0.0318","","","0.0829","0.088","","","","","","1.072","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028900","16.5","0.002","9.2871","0.0012","14.7982","0.0016","90","","107.024","0.003","90","","2168.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 Cr O6 P Si2 -","- C15 H25 Cr O6 P Si2 -","- C60 H100 Cr4 O24 P4 Si8 -","4","1","","Streubel, Rainer; Kyri, Andreas Wolfgang; Duan, Lili; Schnakenburg, Gregor","Synthesis of Li/OR phosphinidenoid complexes: on the evidence for intramolecular O-Li donation and the effect of cation encapsulation.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2088","2097","10.1039/c3dt52269e","","","0.71073","MoKα","","0.059","0.0358","","","0.0753","0.0834","","","","","","1.027","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028901","10.5214","0.0005","15.6233","0.0005","21.1388","0.001","90","","103.504","0.004","90","","3378.7","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 Li O11 P W -","- C33 H34 Li O11 P W -","- C132 H136 Li4 O44 P4 W4 -","4","1","","Streubel, Rainer; Kyri, Andreas Wolfgang; Duan, Lili; Schnakenburg, Gregor","Synthesis of Li/OR phosphinidenoid complexes: on the evidence for intramolecular O-Li donation and the effect of cation encapsulation.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2088","2097","10.1039/c3dt52269e","","","0.71073","MoKα","","0.1134","0.064","","","0.15","0.1641","","","","","","0.849","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028902","14.7044","0.0015","15.9797","0.0016","16.2718","0.0017","90","","91.634","0.002","90","","3821.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Ag2 F6 N4 O8 -","- C40 H32 Ag2 F6 N4 O8 -","- C160 H128 Ag8 F24 N16 O32 -","4","1","","Zhao, Yue; Chen, Kai; Fan, Jian; Okamura, Taka-aki; Lu, Yi; Luo, Li; Sun, Wei-Yin","Structural modulation of silver complexes and their distinctive catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2252","2258","10.1039/c3dt52655k","","","0.71073","MoKα","","0.091","0.0711","","","0.1859","0.1998","","","","","","1.038","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028903","5.5736","0.0017","9.681","0.003","10.993","0.004","82.393","0.005","81.503","0.005","84.252","0.005","579.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H8 Ag F3 N O3 -","- C11 H8 Ag F3 N O3 -","- C22 H16 Ag2 F6 N2 O6 -","2","1","","Zhao, Yue; Chen, Kai; Fan, Jian; Okamura, Taka-aki; Lu, Yi; Luo, Li; Sun, Wei-Yin","Structural modulation of silver complexes and their distinctive catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2252","2258","10.1039/c3dt52655k","","","0.71073","MoKα","","0.043","0.0424","","","0.1058","0.1063","","","","","","1.104","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028904","18.055","0.009","13.972","0.008","14.544","0.009","90","","106.986","0.018","90","","3509","3","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Ag(OX12)2](OCOCF3)2-2(H2O)","","- C38 H36 Ag F3 N4 O8 -","- C38 H32 Ag F3 N4 O8 -","- C152 H128 Ag4 F12 N16 O32 -","4","0.5","","Zhao, Yue; Chen, Kai; Fan, Jian; Okamura, Taka-aki; Lu, Yi; Luo, Li; Sun, Wei-Yin","Structural modulation of silver complexes and their distinctive catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2252","2258","10.1039/c3dt52655k","","","0.71075","MoKα","","0.0563","0.0497","","","0.1327","0.1381","","","","","","1.081","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028905","10.4473","0.0005","17.7556","0.0009","17.6965","0.0009","90","","98.062","0.001","90","","3250.2","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 Fe N2 O P2 S2 -","- C35 H32 Fe N2 O P2 S2 -","- C140 H128 Fe4 N8 O4 P8 S8 -","4","1","","Orthaber, Andreas; Karnahl, Michael; Tschierlei, Stefanie; Streich, Daniel; Stein, Matthias; Ott, Sascha","Coordination and conformational isomers in mononuclear iron complexes with pertinence to the [FeFe] hydrogenase active site.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4537","4549","10.1039/c3dt53268b","","","0.71073","MoKα","","0.0711","0.0418","","","0.11","0.1183","","","","","","0.967","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028906","17.7","0.008","17.198","0.008","24.263","0.012","90","","97.888","0.007","90","","7316","6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Cl2 Fe N2 O P2 S2 -","- C36 H46 Cl2 Fe N2 O P2 S2 -","- C288 H368 Cl16 Fe8 N16 O8 P16 S16 -","8","2","","Orthaber, Andreas; Karnahl, Michael; Tschierlei, Stefanie; Streich, Daniel; Stein, Matthias; Ott, Sascha","Coordination and conformational isomers in mononuclear iron complexes with pertinence to the [FeFe] hydrogenase active site.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4537","4549","10.1039/c3dt53268b","","","0.71073","MoKα","","0.2303","0.1094","","","0.2592","0.3151","","","","","","0.998","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7028907","9.3653","0.0002","26.2717","0.0007","5.2271","0.0001","90","","90","","90","","1286.09","0.05","100","2","100","2","","","","","","","synthetic","4","P b a 2","P 2 -2ab","32","","","","- C30 H32 N2 P2 -","- C30 H32 N2 P2 -","- C60 H64 N4 P4 -","2","0.5","","Orthaber, Andreas; Karnahl, Michael; Tschierlei, Stefanie; Streich, Daniel; Stein, Matthias; Ott, Sascha","Coordination and conformational isomers in mononuclear iron complexes with pertinence to the [FeFe] hydrogenase active site.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4537","4549","10.1039/c3dt53268b","","","0.71073","MoKα","","0.0335","0.0306","","","0.0773","0.0791","","","","","","1.039","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028908","12.3163","0.0001","17.9494","0.0001","18.0222","0.0001","90","","98.365","0.001","90","","3941.79","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Fe(mes)2(IPr)]","","- C45 H58 Fe N2 -","- C45 H58 Fe N2 -","- C180 H232 Fe4 N8 -","4","1","","Musgrave, Rebecca A.; Turbervill, Robert S. P.; Irwin, Mark; Herchel, Radovan; Goicoechea, Jose M.","Iron(ii) complexes of ditopic carbanionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4335","4344","10.1039/c3dt52638k","","","1.54178","CuKα","","0.0404","0.0356","","","0.0936","0.0974","","","","","","1.022","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028909","21.1298","0.0003","9.8555","0.0001","17.0866","0.0003","90","","116.231","0.002","90","","3191.77","0.1","150","0.2","150","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[Fe(6-Xyl)(mes)2]","","- C38 H46 Fe N2 -","- C38 H46 Fe N2 -","- C152 H184 Fe4 N8 -","4","0.5","","Musgrave, Rebecca A.; Turbervill, Robert S. P.; Irwin, Mark; Herchel, Radovan; Goicoechea, Jose M.","Iron(ii) complexes of ditopic carbanionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4335","4344","10.1039/c3dt52638k","","","1.54178","CuKα","","0.0352","0.0329","","","0.0888","0.0909","","","","","","1.022","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028910","12.7856","0.0003","14.2917","0.0005","19.9211","0.0007","71.953","0.003","85.004","0.002","74.811","0.002","3340.08","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","K[Fe(mes)(IPr-H)2]*hex*0.5THF","","- C71 H99 Fe K N4 O0.5 -","- C71 H99 Fe K N4 O0.5 -","- C142 H198 Fe2 K2 N8 O -","2","1","","Musgrave, Rebecca A.; Turbervill, Robert S. P.; Irwin, Mark; Herchel, Radovan; Goicoechea, Jose M.","Iron(ii) complexes of ditopic carbanionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4335","4344","10.1039/c3dt52638k","","","1.54178","CuKα","","0.0772","0.0633","","","0.1722","0.1856","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028911","33.7821","0.0005","10.7707","0.0001","24.2239","0.0003","90","","90","","90","","8814.03","0.19","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[K(18-crown-6)THF][Fe(mes)3]","","- C43 H65 Fe K O7 -","- C43 H65 Fe K O7 -","- C344 H520 Fe8 K8 O56 -","8","1","","Musgrave, Rebecca A.; Turbervill, Robert S. P.; Irwin, Mark; Herchel, Radovan; Goicoechea, Jose M.","Iron(ii) complexes of ditopic carbanionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4335","4344","10.1039/c3dt52638k","","","1.54178","CuKα","","0.0808","0.0557","","","0.1209","0.131","","","","","","1.046","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028912","10.8094","0.0001","25.7657","0.0004","31.1703","0.0004","90","","94.291","0.001","90","","8656.96","0.19","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[K(2,2,2-crypt)][Fe(Et3Al:aIPr-H)(aIPr-H)(mes)]*0.5THF","","- C89 H136 Al Fe K N6 O6.5 -","- C89 H136 Al Fe K N6 O6.5 -","- C356 H544 Al4 Fe4 K4 N24 O26 -","4","1","","Musgrave, Rebecca A.; Turbervill, Robert S. P.; Irwin, Mark; Herchel, Radovan; Goicoechea, Jose M.","Iron(ii) complexes of ditopic carbanionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4335","4344","10.1039/c3dt52638k","","","1.54178","CuKα","","0.0657","0.0483","","","0.1276","0.1365","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028913","23.1194","0.0005","37.147","0.0012","11.03","0.0003","90","","90","","90","","9472.7","0.4","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","[K(2,2,2-crypt)][Fe(Et3Al:aIPr-H)2(mes)]","","- C93 H147 Al2 Fe K N6 O6 -","- C93 H147 Al2 Fe K N6 O6 -","- C372 H588 Al8 Fe4 K4 N24 O24 -","4","1","","Musgrave, Rebecca A.; Turbervill, Robert S. P.; Irwin, Mark; Herchel, Radovan; Goicoechea, Jose M.","Iron(ii) complexes of ditopic carbanionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4335","4344","10.1039/c3dt52638k","","","1.5418","CuKα","","0.083","0.0706","","","0.1363","0.1405","","","","","","1.105","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7028914","23.4906","0.0007","20.2128","0.0007","33.1958","0.0008","90","","90","","90","","15761.7","0.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Fe(aIPr-H)(O6C10H20K)]2","","- C74 H110 Fe2 K2 N4 O12 -","- C74 H110 Fe2 K2 N4 O12 -","- C592 H880 Fe16 K16 N32 O96 -","8","1","","Musgrave, Rebecca A.; Turbervill, Robert S. P.; Irwin, Mark; Herchel, Radovan; Goicoechea, Jose M.","Iron(ii) complexes of ditopic carbanionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4335","4344","10.1039/c3dt52638k","","","1.54178","CuKα","","0.1338","0.0751","","","0.1787","0.2035","","","","","","1.012","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028915","10.611","0.0002","13.5342","0.0002","16.7124","0.0003","102.789","0.002","95.55","0.002","102.524","0.002","2258.3","0.07","150","2","150","0.3","","","","","","","","7","P -1","-P 1","2","","[K(2,2,2-crypt)]2[Fe3{O4[Si(Me)2]3}2{O3[Si(Me)2]2}2]","","- C55.54 H130.62 Fe3 K2 N4 O25.77 Si9.77 -","- C55.5412 H130.624 Fe3 K2 N4 O25.7706 Si9.7706 -","- C55.5412 H130.624 Fe3 K2 N4 O25.7706 Si9.7706 -","1","0.5","","Musgrave, Rebecca A.; Turbervill, Robert S. P.; Irwin, Mark; Herchel, Radovan; Goicoechea, Jose M.","Iron(ii) complexes of ditopic carbanionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4335","4344","10.1039/c3dt52638k","","","1.54178","CuKα","","0.0544","0.048","","","0.1227","0.1263","","","","","","1.036","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028916","15.3175","0.0007","15.3175","0.0007","23.0865","0.0012","90","","90","","90","","5416.7","0.4","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C15.31 H9 F3 N4 O0.31 -","- C15.32 H9 F3 N4 O0.33 -","- C245.12 H144 F48 N64 O5.28 -","16","1","","Hohloch, Stephan; Schweinfurth, David; Sommer, Michael G.; Weisser, Fritz; Deibel, Naina; Ehret, Fabian; Sarkar, Biprajit","The redox series [Ru(bpy)2(L)](n), n = +3, +2, +1, 0, with L = bipyridine, ""click"" derived pyridyl-triazole or bis-triazole: a combined structural, electrochemical, spectroelectrochemical and DFT investigation.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4437","4450","10.1039/c3dt52898g","","","0.71073","MoKα","","0.0669","0.0459","","","0.1072","0.1184","","","","","","1.058","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028917","10.6547","0.0012","11.6352","0.0012","14.5178","0.0016","89.532","0.005","77.126","0.005","87.806","0.004","1753.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H25 Cl2 F3 N8 O8 Ru -","- C34 H25 Cl2 F3 N8 O8 Ru -","- C68 H50 Cl4 F6 N16 O16 Ru2 -","2","1","","Hohloch, Stephan; Schweinfurth, David; Sommer, Michael G.; Weisser, Fritz; Deibel, Naina; Ehret, Fabian; Sarkar, Biprajit","The redox series [Ru(bpy)2(L)](n), n = +3, +2, +1, 0, with L = bipyridine, ""click"" derived pyridyl-triazole or bis-triazole: a combined structural, electrochemical, spectroelectrochemical and DFT investigation.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4437","4450","10.1039/c3dt52898g","","","0.71073","MoKα","","0.075","0.0406","","","0.0669","0.0764","","","","","","1.005","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028918","18.5069","0.0012","15.2755","0.0011","19.3531","0.0013","90","","116.969","0.004","90","","4876.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 Cl2 N10 O8 Ru -","- C48 H52 Cl2 N10 O8 Ru -","- C192 H208 Cl8 N40 O32 Ru4 -","4","1","","Hohloch, Stephan; Schweinfurth, David; Sommer, Michael G.; Weisser, Fritz; Deibel, Naina; Ehret, Fabian; Sarkar, Biprajit","The redox series [Ru(bpy)2(L)](n), n = +3, +2, +1, 0, with L = bipyridine, ""click"" derived pyridyl-triazole or bis-triazole: a combined structural, electrochemical, spectroelectrochemical and DFT investigation.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4437","4450","10.1039/c3dt52898g","","","1.54178","CuKα","","0.0777","0.0464","","","0.1087","0.1228","","","","","","1.013","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028919","11.199","0.002","12.433","0.002","16.087","0.003","89.218","0.004","87.674","0.004","88.7","0.004","2237.3","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H28 Cl4 F6 N10 O8 Ru -","- C39 H28 Cl4 F6 N10 O8 Ru -","- C78 H56 Cl8 F12 N20 O16 Ru2 -","2","1","","Hohloch, Stephan; Schweinfurth, David; Sommer, Michael G.; Weisser, Fritz; Deibel, Naina; Ehret, Fabian; Sarkar, Biprajit","The redox series [Ru(bpy)2(L)](n), n = +3, +2, +1, 0, with L = bipyridine, ""click"" derived pyridyl-triazole or bis-triazole: a combined structural, electrochemical, spectroelectrochemical and DFT investigation.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4437","4450","10.1039/c3dt52898g","","","0.71073","MoKα","","0.0936","0.0821","","","0.2254","0.2396","","","","","","1.045","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028920","10.5097","0.0002","12.3812","0.0002","33.8422","0.0005","90","","90","","90","","4403.64","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H31 Hf N3 -","- C24 H31 Hf N3 -","- C192 H248 Hf8 N24 -","8","1","","Luconi, Lapo; Klosin, Jerzy; Smith, Austin J.; Germain, Stéphane; Schulz, Emmanuelle; Hannedouche, Jérôme; Giambastiani, Giuliano","Additional Article Notification: Cationic Group-IV pincer-type complexes for polymerization and hydroamination catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4593","4602","10.1039/c4dt90024c","","","0.71073","MoKα","","0.0258","0.0207","","","0.0374","0.0387","","","","","","1.198","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028921","10.9613","0.0003","12.0129","0.0003","14.1562","0.0003","106.632","0.001","91.972","0.001","117.113","0.001","1559.81","0.07","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 Co N4 O7 -","- C32 H42 Co N4 O7 -","- C64 H84 Co2 N8 O14 -","2","1","","Chiang, Linus; Allan, Laura E. N.; Alcantara, Juan; Wang, Michael C. P.; Storr, Tim; Shaver, Michael P.","Tuning ligand electronics and peripheral substitution on cobalt salen complexes: structure and polymerisation activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4295","4304","10.1039/c3dt51846a","","","0.71073","MoKα","","0.0591","0.0467","","0.07","0.0453","0.0438","","","","","","1.0108","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028922","9.1835","0.001","20.715","0.002","17.2564","0.0018","90","","119.671","0.006","90","","2852.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 F N P2 -","- C36 H30 F N P2 -","- C144 H120 F4 N4 P8 -","4","1","","Bolli, Christoph; Gellhaar, Jorit; Jenne, Carsten; Keßler, Mathias; Scherer, Harald; Seeger, Helene; Uzun, Rabiya","Bis(triphenyl-λ(5)-phosphanylidene)ammonium fluoride: a reactive fluoride source to access the hypervalent silicates [MenSiF5-n](-) (n = 0-3).","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4326","4334","10.1039/c3dt52617h","","","0.71073","MoKα","","0.0581","0.0374","","","0.08","0.0889","","","","","","1.031","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028923","11.4101","0.0004","19.5615","0.0007","15.0266","0.0006","90","","91.026","0.002","90","","3353.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 F2 N P2 Si -","- C39 H39 F2 N P2 Si -","- C156 H156 F8 N4 P8 Si4 -","4","1","","Bolli, Christoph; Gellhaar, Jorit; Jenne, Carsten; Keßler, Mathias; Scherer, Harald; Seeger, Helene; Uzun, Rabiya","Bis(triphenyl-λ(5)-phosphanylidene)ammonium fluoride: a reactive fluoride source to access the hypervalent silicates [MenSiF5-n](-) (n = 0-3).","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4326","4334","10.1039/c3dt52617h","","","0.71073","MoKα","","0.0432","0.0348","","","0.0946","0.1001","","","","","","1.025","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028924","15.7907","0.0003","13.8468","0.0003","17.3811","0.0003","90","","123.105","0.001","90","","3183.48","0.11","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H30 F5 N P2 Si -","- C36 H30 F5 N P2 Si -","- C144 H120 F20 N4 P8 Si4 -","4","1","","Bolli, Christoph; Gellhaar, Jorit; Jenne, Carsten; Keßler, Mathias; Scherer, Harald; Seeger, Helene; Uzun, Rabiya","Bis(triphenyl-λ(5)-phosphanylidene)ammonium fluoride: a reactive fluoride source to access the hypervalent silicates [MenSiF5-n](-) (n = 0-3).","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4326","4334","10.1039/c3dt52617h","","","0.71073","MoKα","","0.064","0.0448","","","0.0923","0.0994","","","","","","1.085","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028925","11.6103","0.0004","19.4923","0.0006","14.5543","0.0004","90","","92.148","0.001","90","","3291.49","0.18","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 F3 N P2 Si -","- C38 H36 F3 N P2 Si -","- C152 H144 F12 N4 P8 Si4 -","4","1","","Bolli, Christoph; Gellhaar, Jorit; Jenne, Carsten; Keßler, Mathias; Scherer, Harald; Seeger, Helene; Uzun, Rabiya","Bis(triphenyl-λ(5)-phosphanylidene)ammonium fluoride: a reactive fluoride source to access the hypervalent silicates [MenSiF5-n](-) (n = 0-3).","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4326","4334","10.1039/c3dt52617h","","","0.71073","MoKα","","0.0595","0.0398","","","0.0942","0.1039","","","","","","1.026","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028926","11.131","0.002","12.139","0.002","26.696","0.005","90","","91.74","0.03","90","","3605.5","1.1","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H84 F6 N2 O6 P4 Si -","- C78 H84 F6 N2 O6 P4 Si -","- C156 H168 F12 N4 O12 P8 Si2 -","2","0.5","","Bolli, Christoph; Gellhaar, Jorit; Jenne, Carsten; Keßler, Mathias; Scherer, Harald; Seeger, Helene; Uzun, Rabiya","Bis(triphenyl-λ(5)-phosphanylidene)ammonium fluoride: a reactive fluoride source to access the hypervalent silicates [MenSiF5-n](-) (n = 0-3).","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4326","4334","10.1039/c3dt52617h","","","0.71073","MoKα","","0.0641","0.0516","","","0.1117","0.119","","","","","","1.107","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028927","10.602","0.002","40.302","0.008","16.129","0.003","90","","108.2","0.03","90","","6547","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 F4 N P2 Si -","- C37 H33 F4 N P2 Si -","- C296 H264 F32 N8 P16 Si8 -","8","2","","Bolli, Christoph; Gellhaar, Jorit; Jenne, Carsten; Keßler, Mathias; Scherer, Harald; Seeger, Helene; Uzun, Rabiya","Bis(triphenyl-λ(5)-phosphanylidene)ammonium fluoride: a reactive fluoride source to access the hypervalent silicates [MenSiF5-n](-) (n = 0-3).","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4326","4334","10.1039/c3dt52617h","","","0.71073","MoKα","","0.0754","0.053","","","0.1144","0.1259","","","","","","1.05","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028928","11.7234","0.0002","11.7602","0.0002","14.133","0.0002","68.9697","0.0008","69.5406","0.0008","70.8268","0.0008","1657.46","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H35 F5 N O0.5 P2 Si -","- C38 H35 F5 N O0.5 P2 Si -","- C76 H70 F10 N2 O P4 Si2 -","2","1","","Bolli, Christoph; Gellhaar, Jorit; Jenne, Carsten; Keßler, Mathias; Scherer, Harald; Seeger, Helene; Uzun, Rabiya","Bis(triphenyl-λ(5)-phosphanylidene)ammonium fluoride: a reactive fluoride source to access the hypervalent silicates [MenSiF5-n](-) (n = 0-3).","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4326","4334","10.1039/c3dt52617h","","","0.71073","MoKα","","0.0576","0.0428","","","0.1089","0.1179","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028929","26.849","0.005","17.457","0.004","26.239","0.005","90","","91.13","0.03","90","","12296","4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C146 H125 Cl0.32 F7.35 N5 P8 -","- C146 H125 Cl0.324 F7.352 N5 P8 -","- C584 H500 Cl1.296 F29.408 N20 P32 -","4","1","","Bolli, Christoph; Gellhaar, Jorit; Jenne, Carsten; Keßler, Mathias; Scherer, Harald; Seeger, Helene; Uzun, Rabiya","Bis(triphenyl-λ(5)-phosphanylidene)ammonium fluoride: a reactive fluoride source to access the hypervalent silicates [MenSiF5-n](-) (n = 0-3).","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4326","4334","10.1039/c3dt52617h","","","0.71073","MoKα","","0.0904","0.053","","","0.1277","0.1451","","","","","","1.041","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028930","39.172","0.008","9.0578","0.0018","23.546","0.005","90","","121.67","0.03","90","","7110","3","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 Cl0.08 F1.85 N O3 P2 -","- C39 H42 Cl0.075 F1.85 N O3 P2 -","- C312 H336 Cl0.6 F14.8 N8 O24 P16 -","8","1","","Bolli, Christoph; Gellhaar, Jorit; Jenne, Carsten; Keßler, Mathias; Scherer, Harald; Seeger, Helene; Uzun, Rabiya","Bis(triphenyl-λ(5)-phosphanylidene)ammonium fluoride: a reactive fluoride source to access the hypervalent silicates [MenSiF5-n](-) (n = 0-3).","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4326","4334","10.1039/c3dt52617h","","","0.71073","MoKα","","0.0703","0.0448","","","0.0954","0.108","","","","","","1.056","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028931","16.256","0.0003","13.9932","0.0003","16.8226","0.0003","90","","112.954","0.001","90","","3523.69","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cl0.4 F1.2 N3 P2 -","- C40 H36 Cl0.401 F1.198 N3 P2 -","- C160 H144 Cl1.604 F4.792 N12 P8 -","4","1","","Bolli, Christoph; Gellhaar, Jorit; Jenne, Carsten; Keßler, Mathias; Scherer, Harald; Seeger, Helene; Uzun, Rabiya","Bis(triphenyl-λ(5)-phosphanylidene)ammonium fluoride: a reactive fluoride source to access the hypervalent silicates [MenSiF5-n](-) (n = 0-3).","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4326","4334","10.1039/c3dt52617h","","","0.71073","MoKα","","0.0857","0.0527","","","0.1205","0.1385","","","","","","1.022","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028932","16.54064","0.00008","14.23921","0.00007","22.09585","0.00011","90","","90.9867","0.0004","90","","5203.37","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Al2 N6 -","- C54 H76 Al2 N6 -","- C216 H304 Al8 N24 -","4","1","","Franz, Daniel; Irran, Elisabeth; Inoue, Shigeyoshi","Synthesis, characterization and reactivity of an imidazolin-2-iminato aluminium dihydride.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4451","4461","10.1039/c3dt52637b","","","1.54184","CuKα","","0.0516","0.0493","","","0.1252","0.1272","","","","","","1.009","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028933","26.337","0.0008","12.1672","0.0003","25.4631","0.0008","90","","118.28","0.004","90","","7185.7","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H98 Al2 F6 N6 O9 S2 -","- C68 H98 Al2 F6 N6 O9 S2 -","- C272 H392 Al8 F24 N24 O36 S8 -","4","1","","Franz, Daniel; Irran, Elisabeth; Inoue, Shigeyoshi","Synthesis, characterization and reactivity of an imidazolin-2-iminato aluminium dihydride.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4451","4461","10.1039/c3dt52637b","","","1.54184","CuKα","","0.1129","0.0928","","","0.2238","0.2386","","","","","","1.372","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028934","48.7528","0.0013","12.0476","0.0003","22.9213","0.0005","90","","105.547","0.003","90","","12970.3","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C129 H200 Al4 B8 N12 -","- C129 H200 Al4 B8 N12 -","- C516 H800 Al16 B32 N48 -","4","0.5","","Franz, Daniel; Irran, Elisabeth; Inoue, Shigeyoshi","Synthesis, characterization and reactivity of an imidazolin-2-iminato aluminium dihydride.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4451","4461","10.1039/c3dt52637b","","","0.71073","MoKα","","0.0688","0.0529","","","0.1366","0.1514","","","","","","1.016","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028935","48.62","0.002","12.0902","0.0008","22.859","0.0009","90","","106.432","0.007","90","","12888.3","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C129 H168 Al4 Br8 N12 -","- C129 H168 Al4 Br8 N12 -","- C516 H672 Al16 Br32 N48 -","4","0.5","","Franz, Daniel; Irran, Elisabeth; Inoue, Shigeyoshi","Synthesis, characterization and reactivity of an imidazolin-2-iminato aluminium dihydride.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4451","4461","10.1039/c3dt52637b","","","0.71073","MoKα","","0.0843","0.0499","","","0.0739","0.0815","","","","","","1.072","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028936","48.612","0.002","12.0883","0.0004","22.5786","0.0009","90","","105.956","0.006","90","","12756.8","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C129 H168 Al4 Cl8 N12 -","- C129 H168 Al4 Cl8 N12 -","- C516 H672 Al16 Cl32 N48 -","4","0.5","","Franz, Daniel; Irran, Elisabeth; Inoue, Shigeyoshi","Synthesis, characterization and reactivity of an imidazolin-2-iminato aluminium dihydride.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4451","4461","10.1039/c3dt52637b","","","0.71073","MoKα","","0.0915","0.0592","","","0.1134","0.127","","","","","","1.067","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028937","22.3083","0.0005","16.8446","0.0003","24.0034","0.0005","90","","114.736","0.003","90","","8192.2","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H120 Al2 I4 N6 O6 -","- C78 H120 Al2 I4 N6 O6 -","- C312 H480 Al8 I16 N24 O24 -","4","0.5","","Franz, Daniel; Irran, Elisabeth; Inoue, Shigeyoshi","Synthesis, characterization and reactivity of an imidazolin-2-iminato aluminium dihydride.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4451","4461","10.1039/c3dt52637b","","","1.54184","CuKα","","0.0695","0.0643","","","0.1799","0.1822","","","","","","1.062","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028938","11.1147","0.0007","14.8792","0.0011","17.4898","0.001","81.656","0.005","80.281","0.005","82.25","0.006","2802.6","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H80 Li2 N6 -","- C61 H80 Li2 N6 -","- C122 H160 Li4 N12 -","2","1","","Franz, Daniel; Irran, Elisabeth; Inoue, Shigeyoshi","Synthesis, characterization and reactivity of an imidazolin-2-iminato aluminium dihydride.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4451","4461","10.1039/c3dt52637b","","","0.71073","MoKα","","0.1524","0.084","","","0.1389","0.1672","","","","","","1.063","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028939","27.17","0.0017","10.866","0.0007","18.7723","0.0012","90","","105.4","0.001","90","","5343.1","0.6","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C56 H90 Li2 N2 O5 -","- C56 H90 Li2 N2 O5 -","- C224 H360 Li8 N8 O20 -","4","1","","Robinson, Sarah; Davies, E. Stephen; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Alkali metal derivatives of an ortho-phenylene diamine.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4351","4360","10.1039/c3dt52632a","","","0.71073","MoKα","","0.0453","0.0411","","","0.103","0.107","","","","","","1.02","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028940","10.658","0.0003","24.4174","0.0005","16.7902","0.0004","90","","106.983","0.003","90","","4178.95","0.19","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H132 N4 Na4 O4 -","- C88 H132 N4 Na4 O4 -","- C176 H264 N8 Na8 O8 -","2","0.5","","Robinson, Sarah; Davies, E. Stephen; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Alkali metal derivatives of an ortho-phenylene diamine.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4351","4360","10.1039/c3dt52632a","","","1.54184","CuKα","","0.0725","0.0497","","","0.1172","0.1311","","","","","","1.034","","","","has coordinates,has disorder","288156","2023-12-07","18:40:59",""
"7028941","12.85","0.003","12.896","0.004","28.251","0.008","90","","100.892","0.005","90","","4597","2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H148 K4 N4 O6 -","- C96 H148 K4 N4 O6 -","- C192 H296 K8 N8 O12 -","2","0.5","","Robinson, Sarah; Davies, E. Stephen; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Alkali metal derivatives of an ortho-phenylene diamine.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4351","4360","10.1039/c3dt52632a","","","0.71073","MoKα","","0.172","0.107","","","0.2402","0.2695","","","","","","1.072","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028942","11.3436","0.0009","26.935","0.004","11.4129","0.0015","90","","90","","90","","3487.1","0.7","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C36 H50 Cs N2 -","- C36 H50 Cs N2 -","- C144 H200 Cs4 N8 -","4","0.5","","Robinson, Sarah; Davies, E. Stephen; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Alkali metal derivatives of an ortho-phenylene diamine.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4351","4360","10.1039/c3dt52632a","","","1.54184","CuKα","","0.1828","0.0993","","","0.2117","0.264","","","","","","1.061","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028943","19.36","0.001","18.224","0.001","19.633","0.001","90","","109.649","0.001","90","","6523.5","0.6","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H116 Sm2 -","- C68 H116 Sm2 -","- C272 H464 Sm8 -","4","1","","Nocton, Grégory; Ricard, Louis","N-aromatic heterocycle adducts of bulky [1,2,4-(Me3C)3C5H2]2Sm: synthesis, structure and solution analysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4380","4387","10.1039/c3dt52641k","","","0.71069","MoKα","","0.0775","0.0536","","","0.0967","0.1088","","","","","","1.086","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028944","20.33","0.001","19.811","0.001","19.622","0.001","90","","108.088","0.001","90","","7512.4","0.7","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N Sm -","- C39 H63 N Sm -","- C312 H504 N8 Sm8 -","8","2","","Nocton, Grégory; Ricard, Louis","N-aromatic heterocycle adducts of bulky [1,2,4-(Me3C)3C5H2]2Sm: synthesis, structure and solution analysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4380","4387","10.1039/c3dt52641k","","","0.71069","MoKα","","0.099","0.0635","","","0.11","0.1279","","","","","","1.084","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028945","20.575","0.001","19.641","0.001","19.82","0.001","90","","105.859","0.001","90","","7704.7","0.7","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H65 N Sm -","- C40 H65 N Sm -","- C320 H520 N8 Sm8 -","8","2","","Nocton, Grégory; Ricard, Louis","N-aromatic heterocycle adducts of bulky [1,2,4-(Me3C)3C5H2]2Sm: synthesis, structure and solution analysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4380","4387","10.1039/c3dt52641k","","","0.71069","MoKα","","0.0853","0.0541","","","0.0946","0.1093","","","","","","1.058","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028946","10.426","0.001","15.174","0.001","16.268","0.001","102.872","0.001","103.379","0.001","91.822","0.001","2431.5","0.3","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H84 N2 Sm -","- C52 H84 N2 Sm -","- C104 H168 N4 Sm2 -","2","1","","Nocton, Grégory; Ricard, Louis","N-aromatic heterocycle adducts of bulky [1,2,4-(Me3C)3C5H2]2Sm: synthesis, structure and solution analysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4380","4387","10.1039/c3dt52641k","","","0.71069","MoKα","","0.0622","0.0532","","","0.1069","0.1132","","","","","","1.155","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028947","11.621","0.001","19.215","0.001","19.645","0.001","105.725","0.001","98.579","0.001","101.698","0.001","4036.7","0.5","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C86 H130 N2 Sm2 -","- C86 H130 N2 Sm2 -","- C172 H260 N4 Sm4 -","2","1","","Nocton, Grégory; Ricard, Louis","N-aromatic heterocycle adducts of bulky [1,2,4-(Me3C)3C5H2]2Sm: synthesis, structure and solution analysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4380","4387","10.1039/c3dt52641k","","","0.71069","MoKα","","0.0977","0.068","","","0.1264","0.1434","","","","","","1.131","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028948","18.313","0.001","13.041","0.001","17.303","0.001","90","","105.021","0.001","90","","3991.1","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H65 N Sm -","- C43 H65 N Sm -","- C172 H260 N4 Sm4 -","4","1","","Nocton, Grégory; Ricard, Louis","N-aromatic heterocycle adducts of bulky [1,2,4-(Me3C)3C5H2]2Sm: synthesis, structure and solution analysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4380","4387","10.1039/c3dt52641k","","","0.71069","MoKα","","0.0714","0.0525","","","0.1022","0.1116","","","","","","1.071","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028949","13.2741","0.0004","17.9504","0.0008","21.7777","0.0008","90","","96.307","0.003","90","","5157.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H45 La N6 O10 P2 -","- C53 H45 La N6 O10 P2 -","- C212 H180 La4 N24 O40 P8 -","4","1","","Pouessel, Jacky; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Nitrite complexes of the rare earth elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4415","4425","10.1039/c3dt52703d","","","0.71073","MoKα","","0.0803","0.0573","","","0.1498","0.1614","","","","","","1.061","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028950","13.2645","0.0005","17.9358","0.0007","21.7448","0.0007","90","","96.433","0.002","90","","5140.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H45 Ce N6 O10 P2 -","- C53 H45 Ce N6 O10 P2 -","- C212 H180 Ce4 N24 O40 P8 -","4","1","","Pouessel, Jacky; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Nitrite complexes of the rare earth elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4415","4425","10.1039/c3dt52703d","","","0.71073","MoKα","","0.0791","0.0576","","","0.1488","0.1595","","","","","","1.061","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028951","10.3567","0.0005","16.1781","0.0009","17.3706","0.0006","97.503","0.004","97.694","0.004","98.777","0.003","2816.4","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H50 Ag Ce N8 O12 P2 -","- C58 H50 Ag Ce N8 O12 P2 -","- C116 H100 Ag2 Ce2 N16 O24 P4 -","2","1","","Pouessel, Jacky; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Nitrite complexes of the rare earth elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4415","4425","10.1039/c3dt52703d","","","0.71073","MoKα","","0.0812","0.0493","","","0.1173","0.1285","","","","","","1.011","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028952","13.2497","0.0004","17.9467","0.0006","21.7355","0.0003","90","","96.633","0.0018","90","","5133.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H45 N6 O10 P2 Pr -","- C53 H45 N6 O10 P2 Pr -","- C212 H180 N24 O40 P8 Pr4 -","4","1","","Pouessel, Jacky; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Nitrite complexes of the rare earth elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4415","4425","10.1039/c3dt52703d","","","0.71073","MoKα","","0.0671","0.0572","","","0.1575","0.1647","","","","","","1.046","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028953","9.4292","0.0002","9.6856","0.0003","15.8367","0.0006","76.145","0.002","75.304","0.002","81.595","0.002","1352.68","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H50 N7 Nd O10 P2 -","- C58 H50 N7 Nd O10 P2 -","- C58 H50 N7 Nd O10 P2 -","1","0.5","","Pouessel, Jacky; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Nitrite complexes of the rare earth elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4415","4425","10.1039/c3dt52703d","","","0.71073","MoKα","","0.031","0.0279","","","0.0757","0.0763","","","","","","1.047","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028954","13.2408","0.0002","17.9735","0.0004","21.7067","0.0003","90","","96.8113","0.0012","90","","5129.38","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H45 N6 Nd O10 P2 -","- C53 H45 N6 Nd O10 P2 -","- C212 H180 N24 Nd4 O40 P8 -","4","1","","Pouessel, Jacky; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Nitrite complexes of the rare earth elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4415","4425","10.1039/c3dt52703d","","","0.71073","MoKα","","0.0472","0.0402","","","0.1084","0.1122","","","","","","1.038","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028955","10.0031","0.0004","12.889","0.0007","21.3346","0.0011","87.813","0.002","77.576","0.003","68.306","0.003","2493.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H45 N6 Nd O10 P2 -","- C53 H45 N6 Nd O10 P2 -","- C106 H90 N12 Nd2 O20 P4 -","2","1","","Pouessel, Jacky; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Nitrite complexes of the rare earth elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4415","4425","10.1039/c3dt52703d","","","0.71073","MoKα","","0.0523","0.0331","","","0.0647","0.0686","","","","","","1.002","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028956","31.9249","0.001","10.8245","0.0005","20.87","0.0008","90","","127.881","0.002","90","","5692.4","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H50 Ag N8 O12 P2 Pr -","- C58 H50 Ag N8 O12 P2 Pr -","- C232 H200 Ag4 N32 O48 P8 Pr4 -","4","0.5","","Pouessel, Jacky; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Nitrite complexes of the rare earth elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4415","4425","10.1039/c3dt52703d","","","0.71073","MoKα","","0.0558","0.0376","","","0.0908","0.0961","","","","","","1.066","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028957","31.8726","0.001","10.8359","0.0003","20.8434","0.0007","90","","127.829","0.002","90","","5685.8","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H50 Ag N8 Nd O12 P2 -","- C58 H50 Ag N8 Nd O12 P2 -","- C232 H200 Ag4 N32 Nd4 O48 P8 -","4","0.5","","Pouessel, Jacky; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Nitrite complexes of the rare earth elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4415","4425","10.1039/c3dt52703d","","","0.71073","MoKα","","0.0488","0.0353","","","0.0861","0.0898","","","","","","1.092","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028958","17.8243","0.0008","13.6518","0.0003","22.0678","0.001","90","","109.511","0.002","90","","5061.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H45 N6 O10 P2 Sm -","- C53 H45 N6 O10 P2 Sm -","- C212 H180 N24 O40 P8 Sm4 -","4","1","","Pouessel, Jacky; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Nitrite complexes of the rare earth elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4415","4425","10.1039/c3dt52703d","","","0.71073","MoKα","","0.0801","0.0378","","","0.0623","0.0699","","","","","","0.911","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028959","17.7881","0.0005","13.6149","0.0004","21.9841","0.0005","90","","109.682","0.0017","90","","5013.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H45 N6 O10 P2 Yb -","- C53 H45 N6 O10 P2 Yb -","- C212 H180 N24 O40 P8 Yb4 -","4","1","","Pouessel, Jacky; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Nitrite complexes of the rare earth elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4415","4425","10.1039/c3dt52703d","","","0.71073","MoKα","","0.0461","0.0276","","","0.0582","0.062","","","","","","0.955","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028960","17.8054","0.0007","13.6258","0.0006","22.0104","0.0005","90","","109.628","0.002","90","","5029.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H45 N6 O10 P2 Y -","- C53 H45 N6 O10 P2 Y -","- C212 H180 N24 O40 P8 Y4 -","4","1","","Pouessel, Jacky; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Nitrite complexes of the rare earth elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4415","4425","10.1039/c3dt52703d","","","0.71073","MoKα","","0.0788","0.0395","","","0.0762","0.0844","","","","","","0.961","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028961","10.1729","0.0005","11.6627","0.0005","24.7799","0.0009","95.368","0.003","93.817","0.003","103.994","0.002","2828.1","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H50 Ag N8 O12 P2 Sm -","- C58 H50 Ag N8 O12 P2 Sm -","- C116 H100 Ag2 N16 O24 P4 Sm2 -","2","1","","Pouessel, Jacky; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Nitrite complexes of the rare earth elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4415","4425","10.1039/c3dt52703d","","","0.71073","MoKα","","0.057","0.0347","","","0.0727","0.0781","","","","","","0.982","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028962","10.1741","0.0003","11.647","0.0005","24.6852","0.0012","95.277","0.002","94.02","0.003","103.847","0.003","2815.2","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H50 Ag N8 O12 P2 Y -","- C58 H50 Ag N8 O12 P2 Y -","- C116 H100 Ag2 N16 O24 P4 Y2 -","2","1","","Pouessel, Jacky; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault","Nitrite complexes of the rare earth elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4415","4425","10.1039/c3dt52703d","","","0.71073","MoKα","","0.0733","0.0381","","","0.0813","0.0891","","","","","","1.002","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028963","7.1578","0.0002","11.8422","0.0004","21.8142","0.0005","92.863","0.002","91.351","0.002","105.704","0.003","1776.5","0.09","183","2","183","2","","","","","","","","6","P -1","-P 1","2","TctacnOnorbornadiol","(exo-bicyclo{2.2.1}heptane-2,3-diolato)(oxo) (1,4,7-triazacyclononane)99technetium(V)bromide","","- C13 H29 Br N3 O5 Tc -","- C13 H29 Br N3 O5 Tc -","- C52 H116 Br4 N12 O20 Tc4 -","4","2","","Wuillemin, Michel A.; Stuber, Wanda T.; Fox, Thomas; Reber, Michael J.; Brühwiler, Dominik; Alberto, Roger; Braband, Henrik","A novel (99m)Tc labelling strategy for the development of silica based particles for medical applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4260","4263","10.1039/c3dt53019a","","","0.71073","MoKα","","0.0654","0.0513","","","0.1257","0.1343","","","","","","1.04","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028964","24.4639","0.0002","24.4639","0.0002","16.2815","0.0002","90","","90","","90","","9744.19","0.16","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C47 H58 Cl4 N6 O4 Ru2 -","- C47.04 H58.056 Cl4 N6 O4 Ru2 -","- C376.32 H464.448 Cl32 N48 O32 Ru16 -","8","0.5","","Delgado-Rebollo, Manuela; Canseco-Gonzalez, Daniel; Hollering, Manuela; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis and catalytic alcohol oxidation and ketone transfer hydrogenation activity of donor-functionalized mesoionic triazolylidene ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4462","4473","10.1039/c3dt53052c","","","0.71073","MoKα","","0.0357","0.0331","","","0.0686","0.0696","","","","","","1.209","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028965","7.83027","0.00007","11.5481","0.0001","15.7934","0.0002","106.771","0.0009","101.919","0.0008","93.1348","0.0008","1327.9","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 F3 N7 O3 Ru S -","- C24 H24 F3 N7 O3 Ru S -","- C48 H48 F6 N14 O6 Ru2 S2 -","2","1","","Delgado-Rebollo, Manuela; Canseco-Gonzalez, Daniel; Hollering, Manuela; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis and catalytic alcohol oxidation and ketone transfer hydrogenation activity of donor-functionalized mesoionic triazolylidene ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4462","4473","10.1039/c3dt53052c","","","0.71073","MoKα","","0.035","0.0275","","","0.0533","0.0566","","","","","","1.042","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028966","12.2789","0.0002","12.7985","0.0003","14.8101","0.0005","82","0.002","87.781","0.002","86.692","0.002","2299.83","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 Cl2 N3 Ru -","- C22 H29 Cl2 N3 Ru -","- C88 H116 Cl8 N12 Ru4 -","4","2","","Delgado-Rebollo, Manuela; Canseco-Gonzalez, Daniel; Hollering, Manuela; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis and catalytic alcohol oxidation and ketone transfer hydrogenation activity of donor-functionalized mesoionic triazolylidene ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4462","4473","10.1039/c3dt53052c","","","0.71073","MoKα","","0.0307","0.0256","","","0.0555","0.058","","","","","","1.045","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028967","6.3174","0.0002","19.8791","0.0006","9.8572","0.0003","90","","91.123","0.004","90","","1237.67","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl N3 -","- C12 H16 Cl N3 -","- C48 H64 Cl4 N12 -","4","1","","Delgado-Rebollo, Manuela; Canseco-Gonzalez, Daniel; Hollering, Manuela; Mueller-Bunz, Helge; Albrecht, Martin","Synthesis and catalytic alcohol oxidation and ketone transfer hydrogenation activity of donor-functionalized mesoionic triazolylidene ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4462","4473","10.1039/c3dt53052c","","","0.71073","MoKα","","0.0485","0.0393","","","0.0897","0.0949","","","","","","1.071","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028968","20.8577","0.0005","14.8207","0.0003","22.7739","0.0006","90","","95.55","0.002","90","","7007","0.3","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C114 H140 Cl Mn6 N20 O20 -","- C114 H140 Cl Mn6 N20 O20 -","- C228 H280 Cl2 Mn12 N40 O40 -","2","0.5","","Martínez-Lillo, José; Dolan, Neil; Brechin, Euan K.","A family of cationic oxime-based hexametallic manganese(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4408","4414","10.1039/c3dt52640b","","","0.71073","MoKα","","0.0982","0.0706","","","0.1914","0.2124","","","","","","0.887","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7028969","14.2304","0.0002","12.7593","0.0002","25.9852","0.0004","90","","92.473","0.002","90","","4713.74","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H106 Cl2 Mn6 N24 O30 -","- C76 H106 Cl2 Mn6 N24 O30 -","- C152 H212 Cl4 Mn12 N48 O60 -","2","0.5","","Martínez-Lillo, José; Dolan, Neil; Brechin, Euan K.","A family of cationic oxime-based hexametallic manganese(iii) single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4408","4414","10.1039/c3dt52640b","","","0.71073","MoKα","","0.0943","0.0659","","","0.1638","0.1836","","","","","","1.037","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028970","10.8231","0.0002","21.9105","0.0002","20.3007","0.0001","90","","98.027","0.001","90","","4766.93","0.1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H55 Fe K N4 O6 -","- C46 H55 Fe K N4 O6 -","- C184 H220 Fe4 K4 N16 O24 -","4","1","","Rezaei Rad, Babak; Herrmann, Dirk; Lescop, Christophe; Wolf, Robert","A tetradentate metalloligand: synthesis and coordination behaviour of a 2-pyridyl-substituted cyclobutadiene iron complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4247","4250","10.1039/c3dt52699b","","","1.5418","CuKα","","0.0771","0.0756","","","0.2153","0.2174","","","","","","1.042","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028971","13.6884","0.0002","14.1246","0.0002","15.0838","0.0002","90","","113.276","0.001","90","","2678.99","0.07","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 Fe N4 -","- C34 H31 Fe N4 -","- C136 H124 Fe4 N16 -","4","1","","Rezaei Rad, Babak; Herrmann, Dirk; Lescop, Christophe; Wolf, Robert","A tetradentate metalloligand: synthesis and coordination behaviour of a 2-pyridyl-substituted cyclobutadiene iron complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4247","4250","10.1039/c3dt52699b","","","1.5418","CuKα","","0.0359","0.0341","","","0.0959","0.0976","","","","","","1.043","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028972","16.4571","0.0002","16.5968","0.0002","17.0934","0.0002","90","","94.918","0.001","90","","4651.62","0.1","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H55 Cl2 Fe K N4 O6 Zn -","- C46 H55 Cl2 Fe K N4 O6 Zn -","- C184 H220 Cl8 Fe4 K4 N16 O24 Zn4 -","4","1","","Rezaei Rad, Babak; Herrmann, Dirk; Lescop, Christophe; Wolf, Robert","A tetradentate metalloligand: synthesis and coordination behaviour of a 2-pyridyl-substituted cyclobutadiene iron complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4247","4250","10.1039/c3dt52699b","","","1.5418","CuKα","","0.0407","0.0336","","","0.0857","0.0911","","","","","","1.017","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028973","16.4365","0.0009","16.5146","0.0008","17.1501","0.0008","90","","95.109","0.005","90","","4636.8","0.4","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H55 Cl2 Fe2 K N4 O6 -","- C46 H55 Cl2 Fe2 K N4 O6 -","- C184 H220 Cl8 Fe8 K4 N16 O24 -","4","1","","Rezaei Rad, Babak; Herrmann, Dirk; Lescop, Christophe; Wolf, Robert","A tetradentate metalloligand: synthesis and coordination behaviour of a 2-pyridyl-substituted cyclobutadiene iron complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4247","4250","10.1039/c3dt52699b","","","1.5418","CuKα","","0.0533","0.0419","","","0.1053","0.1146","","","","","","1.027","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028974","13.8686","0.0008","14.35","0.0005","16.1195","0.0007","90","","114.168","0.006","90","","2926.8","0.3","123","2","123","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C54 H71 Cl4 Fe K N4 O8 Zn2 -","- C54 H72 Cl4 Fe K N4 O8 Zn2 -","- C108 H144 Cl8 Fe2 K2 N8 O16 Zn4 -","2","0.5","","Rezaei Rad, Babak; Herrmann, Dirk; Lescop, Christophe; Wolf, Robert","A tetradentate metalloligand: synthesis and coordination behaviour of a 2-pyridyl-substituted cyclobutadiene iron complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4247","4250","10.1039/c3dt52699b","","","1.5418","CuKα","","0.0883","0.0654","","","0.1678","0.1864","","","","","","1.018","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028975","13.478","0.003","12.446","0.003","20.633","0.004","90","","108.49","0.03","90","","3282.5","1.4","200","2","200","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","MCAAC","","- C27 H33 Cl2 F6 Ir N7 O P Ru -","- C27 H33 Cl2 F6 Ir N7 O P Ru -","- C108 H132 Cl8 F24 Ir4 N28 O4 P4 Ru4 -","4","1","","Trapp, Ina; González-Gallardo, Sandra; Hohnstein, Silvia; Garnier, Delphine; Oña-Burgos, Pascual; Breher, Frank","A metallacyclic alkyl-amido carbene complex (MCAAC).","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4313","4319","10.1039/c3dt52591k","","","0.71073","MoKα","","0.0438","0.04","","","0.1007","0.1057","","","","","","1.115","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028976","18.6006","0.0004","23.1712","0.0005","18.7401","0.0005","90","","109.268","0.001","90","","7624.5","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 N Ni S3 Se -","- C37 H55 N Ni S3 Se -","- C296 H440 N8 Ni8 S24 Se8 -","8","2","","Wombwell, Claire; Reisner, Erwin","Synthesis, structure and reactivity of Ni site models of [NiFeSe] hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4483","4493","10.1039/c3dt52967c","","","0.71073","MoKα","","0.1179","0.0711","","","0.1765","0.1955","","","","","","1.06","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028977","18.5275","0.0002","23.1544","0.0002","18.7038","0.0002","90","","109.27","0.001","90","","7574.26","0.14","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 N Ni S4 -","- C37 H55 N Ni S4 -","- C296 H440 N8 Ni8 S32 -","8","2","","Wombwell, Claire; Reisner, Erwin","Synthesis, structure and reactivity of Ni site models of [NiFeSe] hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4483","4493","10.1039/c3dt52967c","","","0.71073","MoKα","","0.1192","0.0757","","","0.1819","0.2108","","","","","","1.027","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028978","10.6327","0.0002","22.5152","0.0005","16.1237","0.0005","90","","94.708","0.001","90","","3846.95","0.16","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H55 N Ni S2 Se2 -","- C37 H55 N Ni S2 Se2 -","- C148 H220 N4 Ni4 S8 Se8 -","4","1","","Wombwell, Claire; Reisner, Erwin","Synthesis, structure and reactivity of Ni site models of [NiFeSe] hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4483","4493","10.1039/c3dt52967c","","","0.71073","MoKα","","0.1336","0.0452","","","0.1123","0.1216","","","","","","0.788","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7028979","18.7224","0.0002","23.0398","0.0002","18.7818","0.0002","90","","109.81","0.001","90","","7622.28","0.14","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H55 N Ni S3 Se -","- C37 H55 N Ni S3 Se -","- C296 H440 N8 Ni8 S24 Se8 -","8","2","","Wombwell, Claire; Reisner, Erwin","Synthesis, structure and reactivity of Ni site models of [NiFeSe] hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4483","4493","10.1039/c3dt52967c","","","0.71073","MoKα","","0.1162","0.0634","","","0.1672","0.1872","","","","","","0.943","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028980","31.046","0.003","8.5236","0.0007","17.2938","0.0012","90","","108.356","0.008","90","","4343.5","0.7","110","0.1","110","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 F6 N2 P2 Ru -","- C18 H24 F6 N2 P2 Ru -","- C144 H192 F48 N16 P16 Ru8 -","8","1","","Lynam, Jason M.; Milner, Lucy M.; Mistry, Neetisha S.; Slattery, John M.; Warrington, Sally R.; Whitwood, Adrian C.","[Ru(η(5)-C5H5)(η(6)-C10H8)]PF6 as a catalyst precursor for the one-pot direct C-H alkenylation of nitrogen heterocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4565","4572","10.1039/c3dt52984c","","","0.7107","MoKα","","0.028","0.0239","","","0.0529","0.0553","","","","","","1.037","","","","has coordinates","203892","2020-10-21","18:00:00",""
"7028981","16.9556","0.001","16.9556","0.001","16.9556","0.001","105.795","","105.795","","105.795","","4185.9","0.4","163","","163","","","","","","","","","6","R -3: R","-P 3*","148","","","","- C136 H228 F42 N12 P14 Ru6 -","- C136 H228 F42 N12 P14 Ru6 -","- C136 H228 F42 N12 P14 Ru6 -","1","","","Lynam, Jason M.; Milner, Lucy M.; Mistry, Neetisha S.; Slattery, John M.; Warrington, Sally R.; Whitwood, Adrian C.","[Ru(η(5)-C5H5)(η(6)-C10H8)]PF6 as a catalyst precursor for the one-pot direct C-H alkenylation of nitrogen heterocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4565","4572","10.1039/c3dt52984c","","","0.71073","MoKα","","0.0743","0.0461","","","","0.1162","","","","","","1.041","","","","has coordinates,has disorder","203892","2020-10-21","18:00:00",""
"7028982","10.1826","0.0002","15.1616","0.0004","22.6072","0.0012","89.425","0.003","88.941","0.003","85.4958","0.0018","3478.7","0.2","109.95","0.1","109.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C35 H38 F6 N2 P2 Ru -","- C35 H38 F6 N2 P2 Ru -","- C140 H152 F24 N8 P8 Ru4 -","4","2","","Lynam, Jason M.; Milner, Lucy M.; Mistry, Neetisha S.; Slattery, John M.; Warrington, Sally R.; Whitwood, Adrian C.","[Ru(η(5)-C5H5)(η(6)-C10H8)]PF6 as a catalyst precursor for the one-pot direct C-H alkenylation of nitrogen heterocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4565","4572","10.1039/c3dt52984c","","","0.7107","MoKα","","0.1158","0.0881","","","0.1787","0.1912","","","","","","1.17","","","","has coordinates,has disorder","203892","2020-10-21","18:00:00",""
"7028983","9.2345","0.0003","21.0319","0.001","15.3415","0.0008","90","","93.266","0.004","90","","2974.8","0.2","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 F6 P Ru -","- C15 H13 F6 P Ru -","- C120 H104 F48 P8 Ru8 -","8","2","","Lynam, Jason M.; Milner, Lucy M.; Mistry, Neetisha S.; Slattery, John M.; Warrington, Sally R.; Whitwood, Adrian C.","[Ru(η(5)-C5H5)(η(6)-C10H8)]PF6 as a catalyst precursor for the one-pot direct C-H alkenylation of nitrogen heterocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4565","4572","10.1039/c3dt52984c","","","0.7107","MoKα","","0.0398","0.0285","","","0.0626","0.0686","","","","","","1.047","","","","has coordinates","203892","2020-10-21","18:00:00",""
"7028984","13.9682","0.0011","27.3","0.002","24.2872","0.0019","90","","95.744","0.001","90","","9215","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H68 Co15 N3 O39 Pd9 -","- C69 H68 Co15 N3 O39 Pd9 -","- C276 H272 Co60 N12 O156 Pd36 -","4","1","","Ciabatti, Iacopo; Femoni, Cristina; Gaboardi, Mattia; Iapalucci, Maria Carmela; Longoni, Giuliano; Pontiroli, Daniele; Riccò, Mauro; Zacchini, Stefano","Structural rearrangements induced by acid-base reactions in metal carbonyl clusters: the case of [H3-nCo15Pd9C3(CO)38](n-) (n = 0-3).","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4388","4399","10.1039/c3dt52527a","","","0.71073","MoKα","","0.0507","0.0345","","","0.0807","0.0886","","","","","","1.016","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028985","13.5168","0.0018","21.969","0.003","24.241","0.003","90","","94.834","0.002","90","","7172.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H16 Co15 O40 Pd9 -","- C48.975 H16 Co15 O39.98 Pd9 -","- C195.9 H64 Co60 O159.92 Pd36 -","4","1","","Ciabatti, Iacopo; Femoni, Cristina; Gaboardi, Mattia; Iapalucci, Maria Carmela; Longoni, Giuliano; Pontiroli, Daniele; Riccò, Mauro; Zacchini, Stefano","Structural rearrangements induced by acid-base reactions in metal carbonyl clusters: the case of [H3-nCo15Pd9C3(CO)38](n-) (n = 0-3).","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4388","4399","10.1039/c3dt52527a","","","0.71073","MoKα","","0.1391","0.0609","","","0.1491","0.1842","","","","","","1.038","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028986","15.3309","0.0008","16.4552","0.0008","29.588","0.0015","90","","96.89","0.001","90","","7410.3","0.6","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H27 Co15 N O38 Pd9 -","- C52 H27 Co15 N O38 Pd9 -","- C208 H108 Co60 N4 O152 Pd36 -","4","1","","Ciabatti, Iacopo; Femoni, Cristina; Gaboardi, Mattia; Iapalucci, Maria Carmela; Longoni, Giuliano; Pontiroli, Daniele; Riccò, Mauro; Zacchini, Stefano","Structural rearrangements induced by acid-base reactions in metal carbonyl clusters: the case of [H3-nCo15Pd9C3(CO)38](n-) (n = 0-3).","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4388","4399","10.1039/c3dt52527a","","","0.71073","MoKα","","0.0734","0.0419","","","0.1003","0.1162","","","","","","1.027","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028987","12.8483","0.001","35.86","0.003","17.9822","0.0013","90","","92.099","0.001","90","","8279.6","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H46 Co15 N2 O38 Pd9 -","- C67.005 H46 Co15.003 N2 O38.005 Pd9.005 -","- C268.02 H184 Co60.012 N8 O152.02 Pd36.02 -","4","1","","Ciabatti, Iacopo; Femoni, Cristina; Gaboardi, Mattia; Iapalucci, Maria Carmela; Longoni, Giuliano; Pontiroli, Daniele; Riccò, Mauro; Zacchini, Stefano","Structural rearrangements induced by acid-base reactions in metal carbonyl clusters: the case of [H3-nCo15Pd9C3(CO)38](n-) (n = 0-3).","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4388","4399","10.1039/c3dt52527a","","","0.71073","MoKα","","0.1135","0.0666","","","0.168","0.1985","","","","","","1.036","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028988","7.0432","0.0002","6.4967","0.0003","20.6568","0.0006","90","","91.044","0.003","90","","945.05","0.06","170","0.1","170","0.1","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","7-(prop-2-in-1-yloxy)-1-benzopyran-2-one","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","","Arcau, Julià; Andermark, Vincent; Aguiló, Elisabet; Gandioso, Albert; Moro, Artur; Cetina, Mario; Lima, João Carlos; Rissanen, Kari; Ott, Ingo; Rodríguez, Laura","Luminescent alkynyl-gold(i) coumarin derivatives and their biological activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4426","4436","10.1039/c3dt52594e","","","0.71073","MoKα","","0.0524","0.0415","","","0.1252","0.1347","","","","","","1.041","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028989","10.4254","0.0003","12.805","0.0003","14.7713","0.0004","98.028","0.002","103.649","0.002","95.056","0.002","1882.38","0.09","123","0.1","123","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","[PPh4][Au{C?CCH2O-7-(prop-2-in-1-yloxy)-1-benzopyran-2-one}2]","","- C48 H34 Au O6 P -","- C48 H34 Au O6 P -","- C96 H68 Au2 O12 P2 -","2","1","","Arcau, Julià; Andermark, Vincent; Aguiló, Elisabet; Gandioso, Albert; Moro, Artur; Cetina, Mario; Lima, João Carlos; Rissanen, Kari; Ott, Ingo; Rodríguez, Laura","Luminescent alkynyl-gold(i) coumarin derivatives and their biological activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4426","4436","10.1039/c3dt52594e","","","1.54184","CuKα","","0.0236","0.0233","","","0.0602","0.0604","","","","","","1.027","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028990","10.8501","0.0019","13.843","0.002","20.392","0.003","93.544","0.006","95.702","0.006","96.184","0.007","3021.8","0.8","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C60 H52 Cl10 N P3 -","- C60 H52 Cl10 N P3 -","- C120 H104 Cl20 N2 P6 -","2","1","","Tschan, Mathieu J.-L.; Guo, Jia; Raman, Sumesh K.; Brulé, Emilie; Roisnel, Thierry; Rager, Marie-Noelle; Legay, Rémi; Durieux, Guillaume; Rigaud, Baptiste; Thomas, Christophe M.","Zinc and cobalt complexes based on tripodal ligands: synthesis, structure and reactivity toward lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4550","4564","10.1039/c3dt52629a","","x-ray","0.71073","MoKα","","0.087","0.0631","","","0.1481","0.1619","","","","","","1.052","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028991","10.9042","0.0006","13.0721","0.0006","14.7332","0.0007","112.417","0.002","91.203","0.002","104.786","0.002","1860.58","0.16","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C39 H35 N3 O -","- C39 H35 N3 O -","- C78 H70 N6 O2 -","2","1","","Tschan, Mathieu J.-L.; Guo, Jia; Raman, Sumesh K.; Brulé, Emilie; Roisnel, Thierry; Rager, Marie-Noelle; Legay, Rémi; Durieux, Guillaume; Rigaud, Baptiste; Thomas, Christophe M.","Zinc and cobalt complexes based on tripodal ligands: synthesis, structure and reactivity toward lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4550","4564","10.1039/c3dt52629a","","x-ray","0.71073","MoKα","","0.0744","0.0524","","","0.1518","0.1591","","","","","","1.093","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028992","15.6653","0.0016","18.003","0.0018","18.1172","0.0019","98.534","0.004","112.551","0.004","92.618","0.004","4637","0.8","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C57 H48 N P3 -","- C57 H48 N P3 -","- C228 H192 N4 P12 -","4","2","","Tschan, Mathieu J.-L.; Guo, Jia; Raman, Sumesh K.; Brulé, Emilie; Roisnel, Thierry; Rager, Marie-Noelle; Legay, Rémi; Durieux, Guillaume; Rigaud, Baptiste; Thomas, Christophe M.","Zinc and cobalt complexes based on tripodal ligands: synthesis, structure and reactivity toward lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4550","4564","10.1039/c3dt52629a","","x-ray","0.71073","MoKα","","0.0714","0.0488","","","0.1132","0.1261","","","","","","1.038","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028993","14.0718","0.0009","13.558","0.0008","19.6384","0.0009","90","","98.664","0.002","90","","3704","0.4","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 N2 P2 -","- C44 H38 N2 P2 -","- C176 H152 N8 P8 -","4","1","","Tschan, Mathieu J.-L.; Guo, Jia; Raman, Sumesh K.; Brulé, Emilie; Roisnel, Thierry; Rager, Marie-Noelle; Legay, Rémi; Durieux, Guillaume; Rigaud, Baptiste; Thomas, Christophe M.","Zinc and cobalt complexes based on tripodal ligands: synthesis, structure and reactivity toward lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4550","4564","10.1039/c3dt52629a","","x-ray","0.71073","MoKα","","0.0638","0.0451","","","0.122","0.1312","","","","","","1.055","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028994","10.052","0.002","24.616","0.006","10.268","0.002","90","","110.971","0.012","90","","2372.4","0.9","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 N3 O -","- C27 H35 N3 O -","- C108 H140 N12 O4 -","4","1","","Tschan, Mathieu J.-L.; Guo, Jia; Raman, Sumesh K.; Brulé, Emilie; Roisnel, Thierry; Rager, Marie-Noelle; Legay, Rémi; Durieux, Guillaume; Rigaud, Baptiste; Thomas, Christophe M.","Zinc and cobalt complexes based on tripodal ligands: synthesis, structure and reactivity toward lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4550","4564","10.1039/c3dt52629a","","x-ray","0.71073","MoKα","","0.107","0.0672","","","0.1496","0.1663","","","","","","1.013","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028995","9.1363","0.0015","22.025","0.005","19.679","0.004","90","","91.47","0.011","90","","3958.6","1.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H40 Cl N3 O Zn -","- C45 H40 Cl N3 O Zn -","- C180 H160 Cl4 N12 O4 Zn4 -","4","1","","Tschan, Mathieu J.-L.; Guo, Jia; Raman, Sumesh K.; Brulé, Emilie; Roisnel, Thierry; Rager, Marie-Noelle; Legay, Rémi; Durieux, Guillaume; Rigaud, Baptiste; Thomas, Christophe M.","Zinc and cobalt complexes based on tripodal ligands: synthesis, structure and reactivity toward lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4550","4564","10.1039/c3dt52629a","","x-ray","0.71073","MoKα","","0.2295","0.0986","","","0.2197","0.2549","","","","","","0.912","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028996","18.1328","0.0007","11.4406","0.0003","25.8","0.0009","90","","98.655","0.004","90","","5291.3","0.3","150.03","0.1","150.03","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H68 Fe N6 Se4 -","- C50 H68 Fe N6 Se4 -","- C200 H272 Fe4 N24 Se16 -","4","0.5","","Pugh, Thomas; Layfield, Richard A.","Reactivity of three-coordinate iron-NHC complexes towards phenylselenol and lithium phenylselenide.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4251","4254","10.1039/c3dt53203h","","","0.7107","MoKα","","0.0598","0.042","","","0.0824","0.0902","","","","","","1.032","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028997","12.5662","0.0004","18.9572","0.0005","17.9664","0.0008","90","","107.2","0.004","90","","4088.5","0.3","150.04","0.13","150.04","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H59 Fe N3 Se Si2 -","- C39 H59 Fe N3 Se Si2 -","- C156 H236 Fe4 N12 Se4 Si8 -","4","1","","Pugh, Thomas; Layfield, Richard A.","Reactivity of three-coordinate iron-NHC complexes towards phenylselenol and lithium phenylselenide.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4251","4254","10.1039/c3dt53203h","","","0.7107","MoKα","","0.087","0.0539","","","0.0912","0.1047","","","","","","1.041","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028998","20.4281","0.0004","9.40903","0.00017","24.028","0.0004","90","","103.381","0.0016","90","","4493.02","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 Fe N4 O Se3 -","- C44 H64 Fe N4 O Se3 -","- C176 H256 Fe4 N16 O4 Se12 -","4","1","","Pugh, Thomas; Layfield, Richard A.","Reactivity of three-coordinate iron-NHC complexes towards phenylselenol and lithium phenylselenide.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4251","4254","10.1039/c3dt53203h","","","1.5418","CuKα","","0.0675","0.0561","","","0.1415","0.153","","","","","","1.043","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7028999","27.8036","0.0011","8.4332","0.0003","18.978","0.0007","90","","102.572","0.001","90","","4343.1","0.3","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 Au Cl N2 -","- C25 H22 Au Cl N2 -","- C200 H176 Au8 Cl8 N16 -","8","1","","Benhamou, Laure; Bastin, Stéphanie; Lugan, Noël; Lavigne, Guy; César, Vincent","Metal-assisted conversion of an N-ylide mesomeric betaine into its carbenic tautomer: generation of N-(fluoren-9-yl)imidazol-2-ylidene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4474","4482","10.1039/c3dt53089b","","x-ray","0.71073","MoKα","","0.0333","0.0297","","","0.0667","0.0679","","","","","","1.134","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7029000","12.688","0.003","16.274","0.003","16.218","0.003","90","","106.45","0.03","90","","3211.7","1.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 Cl4 N2 Rh -","- C34 H35 Cl4 N2 Rh -","- C136 H140 Cl16 N8 Rh4 -","4","1","","Benhamou, Laure; Bastin, Stéphanie; Lugan, Noël; Lavigne, Guy; César, Vincent","Metal-assisted conversion of an N-ylide mesomeric betaine into its carbenic tautomer: generation of N-(fluoren-9-yl)imidazol-2-ylidene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4474","4482","10.1039/c3dt53089b","","x-ray","0.71073","MoKα","","0.0458","0.0358","","","0.0989","0.1085","","","","","","1.147","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029001","10.4907","0.0013","11.3717","0.001","20.084","0.0019","101.272","0.008","102.156","0.012","93.563","0.009","2283.7","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Ag Br N2 -","- C25 H22 Ag Br N2 -","- C100 H88 Ag4 Br4 N8 -","4","2","","Benhamou, Laure; Bastin, Stéphanie; Lugan, Noël; Lavigne, Guy; César, Vincent","Metal-assisted conversion of an N-ylide mesomeric betaine into its carbenic tautomer: generation of N-(fluoren-9-yl)imidazol-2-ylidene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4474","4482","10.1039/c3dt53089b","","x-ray","0.71073","MoKα","","0.0617","0.039","","","0.1178","0.1384","","","","","","1.2","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029002","17.2079","0.0008","9.2276","0.0009","17.4436","0.0011","90","","103.472","0.004","90","","2693.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 N2 Rh -","- C33 H33 N2 Rh -","- C132 H132 N8 Rh4 -","4","1","","Benhamou, Laure; Bastin, Stéphanie; Lugan, Noël; Lavigne, Guy; César, Vincent","Metal-assisted conversion of an N-ylide mesomeric betaine into its carbenic tautomer: generation of N-(fluoren-9-yl)imidazol-2-ylidene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4474","4482","10.1039/c3dt53089b","","x-ray","0.71073","MoKα","","0.0278","0.0238","","","0.062","0.0656","","","","","","1.094","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029003","19.3321","0.001","17.1557","0.0008","19.958","0.0011","90","","113.694","0.006","90","","6061.2","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C128 H182 Mg2 N8 Na2 O10 Si2 -","- C128 H182 Mg2 N8 Na2 O10 Si2 -","- C256 H364 Mg4 N16 Na4 O20 Si4 -","2","0.5","","Armstrong, David R.; Clegg, William; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Robertson, Stuart D.; Russo, Luca; Hevia, Eva","Probing the metallating ability of a polybasic sodium alkylmagnesiate supported by a bulky bis(amido) ligand: deprotomagnesiation reactions of nitrogen-based aromatic substrates.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4361","4369","10.1039/c3dt52639a","","","0.71073","MoKα","","0.1726","0.0533","","","0.1084","0.1275","","","","","","0.753","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029004","10.4287","0.0006","38.3533","0.0018","14.3444","0.0007","90","","104.314","0.005","90","","5559.3","0.5","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H77 Mg N4 Na O3 Si -","- C56 H77 Mg N4 Na O3 Si -","- C224 H308 Mg4 N16 Na4 O12 Si4 -","4","1","","Armstrong, David R.; Clegg, William; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Robertson, Stuart D.; Russo, Luca; Hevia, Eva","Probing the metallating ability of a polybasic sodium alkylmagnesiate supported by a bulky bis(amido) ligand: deprotomagnesiation reactions of nitrogen-based aromatic substrates.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4361","4369","10.1039/c3dt52639a","","","0.71073","MoKα","","0.0968","0.0665","","","0.1553","0.1707","","","","","","1.043","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029005","11.0261","0.0007","18.0103","0.0011","44.259","0.002","90","","94.473","0.006","90","","8762.3","0.9","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H145 Mg N4 Na O8 Si -","- C91.952 H145 Mg N4 Na O7.988 Si -","- C367.808 H580 Mg4 N16 Na4 O31.952 Si4 -","4","1","","Armstrong, David R.; Clegg, William; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Robertson, Stuart D.; Russo, Luca; Hevia, Eva","Probing the metallating ability of a polybasic sodium alkylmagnesiate supported by a bulky bis(amido) ligand: deprotomagnesiation reactions of nitrogen-based aromatic substrates.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4361","4369","10.1039/c3dt52639a","","","0.71073","MoKα","","0.1906","0.1028","","","0.2312","0.3128","","","","","","1.049","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029006","13.4042","0.0004","17.712","0.0004","13.8889","0.0004","90","","99.121","0.001","90","","3255.74","0.15","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H54 Ge N2 O3 Si2 -","- C27 H54 Ge N2 O3 Si2 -","- C108 H216 Ge4 N8 O12 Si8 -","4","1","","Wang, Lingfang; Roşca, Sorin-Claudiu; Poirier, Valentin; Sinbandhit, Sourisak; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Stable divalent germanium, tin and lead amino(ether)-phenolate monomeric complexes: structural features, inclusion heterobimetallic complexes, and ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4268","4286","10.1039/c3dt51681d","","x-ray","0.71073","MoKα","","0.0697","0.0512","","","0.123","0.1325","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029007","10.5521","0.001","13.7269","0.0013","15.0466","0.0012","64.082","0.003","69.863","0.003","81.892","0.003","1840.3","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C27 H54 N2 O3 Pb Si2 -","- C27 H54 N2 O3 Pb Si2 -","- C54 H108 N4 O6 Pb2 Si4 -","2","1","","Wang, Lingfang; Roşca, Sorin-Claudiu; Poirier, Valentin; Sinbandhit, Sourisak; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Stable divalent germanium, tin and lead amino(ether)-phenolate monomeric complexes: structural features, inclusion heterobimetallic complexes, and ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4268","4286","10.1039/c3dt51681d","","x-ray","0.71073","MoKα","","0.0693","0.0499","","","0.1108","0.1172","","","","","","0.998","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029008","10.4714","0.0006","12.3029","0.0008","12.3573","0.0006","81.087","0.003","75.381","0.002","86.021","0.003","1521.07","0.15","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C25 H50 Ge N2 O Si2 -","- C25 H50 Ge N2 O Si2 -","- C50 H100 Ge2 N4 O2 Si4 -","2","1","","Wang, Lingfang; Roşca, Sorin-Claudiu; Poirier, Valentin; Sinbandhit, Sourisak; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Stable divalent germanium, tin and lead amino(ether)-phenolate monomeric complexes: structural features, inclusion heterobimetallic complexes, and ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4268","4286","10.1039/c3dt51681d","","x-ray","0.71073","MoKα","","0.0465","0.0352","","","0.0777","0.0818","","","","","","1.064","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029009","10.5366","0.0004","11.8539","0.0004","12.2084","0.0004","87.436","0.002","81.973","0.001","87.297","0.001","1507.08","0.09","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C25 H50 N2 O Pb Si2 -","- C25 H50 N2 O Pb Si2 -","- C50 H100 N4 O2 Pb2 Si4 -","2","1","","Wang, Lingfang; Roşca, Sorin-Claudiu; Poirier, Valentin; Sinbandhit, Sourisak; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Stable divalent germanium, tin and lead amino(ether)-phenolate monomeric complexes: structural features, inclusion heterobimetallic complexes, and ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4268","4286","10.1039/c3dt51681d","","x-ray","0.71073","MoKα","","0.0391","0.0306","","","0.0547","0.0569","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029010","14.0101","0.0004","27.8363","0.0007","14.9256","0.0004","90","","101.487","0.001","90","","5704.2","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H90 N2 O10 Pb -","- C56 H90 N2 O10 Pb -","- C224 H360 N8 O40 Pb4 -","4","1","","Wang, Lingfang; Roşca, Sorin-Claudiu; Poirier, Valentin; Sinbandhit, Sourisak; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Stable divalent germanium, tin and lead amino(ether)-phenolate monomeric complexes: structural features, inclusion heterobimetallic complexes, and ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4268","4286","10.1039/c3dt51681d","","x-ray","0.71073","MoKα","","0.046","0.029","","","0.0572","0.0617","","","","","","1.012","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029011","14.4685","0.0007","10.955","0.0005","18.4462","0.001","90","","112.213","0.002","90","","2706.8","0.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 Cl Ge N O5 -","- C25 H42 Cl Ge N O5 -","- C100 H168 Cl4 Ge4 N4 O20 -","4","1","","Wang, Lingfang; Roşca, Sorin-Claudiu; Poirier, Valentin; Sinbandhit, Sourisak; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Stable divalent germanium, tin and lead amino(ether)-phenolate monomeric complexes: structural features, inclusion heterobimetallic complexes, and ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4268","4286","10.1039/c3dt51681d","","x-ray","0.71073","MoKα","","0.065","0.0412","","","0.1005","0.1164","","","","","","1.081","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029012","13.0369","0.0018","15.596","0.002","18.084","0.003","90","","98.921","0.006","90","","3632.4","0.9","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H60 Ge N2 O5 Si2 -","- C31 H60 Ge N2 O5 Si2 -","- C124 H240 Ge4 N8 O20 Si8 -","4","1","","Wang, Lingfang; Roşca, Sorin-Claudiu; Poirier, Valentin; Sinbandhit, Sourisak; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Stable divalent germanium, tin and lead amino(ether)-phenolate monomeric complexes: structural features, inclusion heterobimetallic complexes, and ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4268","4286","10.1039/c3dt51681d","","x-ray","0.71073","MoKα","","0.0388","0.0287","","","0.0675","0.0719","","","","","","1.021","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029013","9.1913","0.0002","11.3799","0.0002","21.3025","0.0004","97.025","0.001","100.177","0.001","98.16","0.001","2145.92","0.07","150","2","150","2","","","","","","","synthesis as described","9","P -1","-P 1","2","","","","- C32 H60 F3 Ge Li N2 O8 S Si2 -","- C32 H60 F3 Ge Li N2 O8 S Si2 -","- C64 H120 F6 Ge2 Li2 N4 O16 S2 Si4 -","2","1","","Wang, Lingfang; Roşca, Sorin-Claudiu; Poirier, Valentin; Sinbandhit, Sourisak; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Stable divalent germanium, tin and lead amino(ether)-phenolate monomeric complexes: structural features, inclusion heterobimetallic complexes, and ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4268","4286","10.1039/c3dt51681d","","x-ray","0.71073","MoKα","","0.0448","0.0332","","","0.0763","0.0813","","","","","","1.032","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029014","9.4732","0.0013","27.781","0.004","12.5458","0.0014","90","","109.382","0.006","90","","3114.6","0.7","150","2","150","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 B0 F3 Li N O8 S -","- C26 H43 F3 Li N O8 S -","- C104 H172 F12 Li4 N4 O32 S4 -","4","1","","Wang, Lingfang; Roşca, Sorin-Claudiu; Poirier, Valentin; Sinbandhit, Sourisak; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Stable divalent germanium, tin and lead amino(ether)-phenolate monomeric complexes: structural features, inclusion heterobimetallic complexes, and ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4268","4286","10.1039/c3dt51681d","","x-ray","0.71073","MoKα","","0.0847","0.059","","","0.1599","0.1817","","","","","","1.078","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029015","12.1963","0.0003","12.248","0.0004","14.354","0.0003","66.56","0.001","68.962","0.001","75.468","0.001","1821.43","0.09","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C31 H60 N2 O5 Pb Si2 -","- C31 H60 N2 O5 Pb Si2 -","- C62 H120 N4 O10 Pb2 Si4 -","2","1","","Wang, Lingfang; Roşca, Sorin-Claudiu; Poirier, Valentin; Sinbandhit, Sourisak; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Stable divalent germanium, tin and lead amino(ether)-phenolate monomeric complexes: structural features, inclusion heterobimetallic complexes, and ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4268","4286","10.1039/c3dt51681d","","x-ray","0.71073","MoKα","","0.0321","0.0269","","","0.0558","0.0574","","","","","","1.012","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029016","14.4474","0.0006","10.9372","0.0005","18.6881","0.0007","90","","111.889","0.001","90","","2740.1","0.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 Cl N O5 Sn -","- C25 H42 Cl N O5 Sn -","- C100 H168 Cl4 N4 O20 Sn4 -","4","1","","Wang, Lingfang; Roşca, Sorin-Claudiu; Poirier, Valentin; Sinbandhit, Sourisak; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Stable divalent germanium, tin and lead amino(ether)-phenolate monomeric complexes: structural features, inclusion heterobimetallic complexes, and ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4268","4286","10.1039/c3dt51681d","","x-ray","0.71073","MoKα","","0.0384","0.0307","","","0.0707","0.0748","","","","","","1.024","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029017","8.8219","0.0002","11.894","0.0002","21.6592","0.0003","74.555","0.001","78.508","0.001","80.587","0.001","2131.92","0.07","150","2","150","2","","","","","","","synthesis as described","9","P -1","-P 1","2","","","","- C32 H60 F3 Li N2 O8 S Si2 Sn -","- C32 H60 F3 Li N2 O8 S Si2 Sn -","- C64 H120 F6 Li2 N4 O16 S2 Si4 Sn2 -","2","1","","Wang, Lingfang; Roşca, Sorin-Claudiu; Poirier, Valentin; Sinbandhit, Sourisak; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Stable divalent germanium, tin and lead amino(ether)-phenolate monomeric complexes: structural features, inclusion heterobimetallic complexes, and ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4268","4286","10.1039/c3dt51681d","","x-ray","0.71073","MoKα","","0.0397","0.0324","","","0.0706","0.0742","","","","","","1.023","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029018","10.7245","0.0003","13.2277","0.0004","13.3588","0.0004","70.592","0.001","85.795","0.001","77.052","0.001","1741.95","0.09","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C29 H56 N2 O4 Si2 Sn -","- C29 H56 N2 O4 Si2 Sn -","- C58 H112 N4 O8 Si4 Sn2 -","2","1","","Wang, Lingfang; Roşca, Sorin-Claudiu; Poirier, Valentin; Sinbandhit, Sourisak; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Stable divalent germanium, tin and lead amino(ether)-phenolate monomeric complexes: structural features, inclusion heterobimetallic complexes, and ROP catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4268","4286","10.1039/c3dt51681d","","x-ray","0.71073","MoKα","","0.0258","0.0219","","","0.05","0.0516","","","","","","1.026","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029019","14.6305","0.001","24.0872","0.0016","10.8747","0.0008","90","","98.829","0.002","90","","3786.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl O2 P S2 -","- C19 H16 Cl O2 P S2 -","- C152 H128 Cl8 O16 P8 S16 -","8","2","","Becker, Julia; Gessner, Viktoria H.","On the structure and ambiphilicity of a sulfonyl substituted α-chloro lithium base.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4320","4325","10.1039/c3dt52800f","","","0.71073","MoKα","","0.0571","0.0461","","","0.1227","0.1277","","","","","","1.057","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029020","10.75","0.0009","14.3394","0.0011","18.465","0.0015","84.134","0.002","75.391","0.002","84.85","0.002","2733.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H62 Cl2 Li2 O8 P2 S4 -","- C54 H62 Cl2 Li2 O8 P2 S4 -","- C108 H124 Cl4 Li4 O16 P4 S8 -","2","1","","Becker, Julia; Gessner, Viktoria H.","On the structure and ambiphilicity of a sulfonyl substituted α-chloro lithium base.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4320","4325","10.1039/c3dt52800f","","","0.71073","MoKα","","0.0598","0.0438","","","0.1126","0.1257","","","","","","1.016","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029021","23.4275","0.0016","9.8149","0.0007","17.4155","0.0012","90","","116.776","0.002","90","","3575.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 O4 P2 Pd S4 -","- C38 H32 O4 P2 Pd S4 -","- C152 H128 O16 P8 Pd4 S16 -","4","0.5","","Becker, Julia; Gessner, Viktoria H.","On the structure and ambiphilicity of a sulfonyl substituted α-chloro lithium base.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4320","4325","10.1039/c3dt52800f","","","0.71073","MoKα","","0.0346","0.0278","","","0.068","0.0715","","","","","","1.082","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029022","17.393","0.004","15.219","0.003","18.207","0.004","90","","95.81","0.03","90","","4794.7","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C110 H84 Cl2 N4 Ni -","- C110 H84 Cl2 N4 Ni -","- C220 H168 Cl4 N8 Ni2 -","2","0.5","","Yue, Erlin; Xing, Qifeng; Zhang, Liping; Shi, Qisong; Cao, Xiao-Ping; Wang, Lin; Redshaw, Carl; Sun, Wen-Hua","Synthesis and characterization of 2-(2-benzhydrylnaphthyliminomethyl)pyridylnickel halides: formation of branched polyethylene.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3339","3346","10.1039/c3dt53205d","","","0.71073","MoKα","","","0.081","","","0.2164","0.23","","","","","","1.061","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029024","23.948","0.0004","14.5216","0.0003","17.5302","0.0003","90","","119.004","0.008","90","","5331.8","0.4","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Ce2 Mn2 N18 O33 -","- C36 H36 Ce2 Mn2 N18 O33 -","- C144 H144 Ce8 Mn8 N72 O132 -","4","0.5","","Yatabe, Takeshi; Kikkawa, Mitsuhiro; Matsumoto, Takahiro; Nakai, Hidetaka; Kaneko, Kenji; Ogo, Seiji","A model for the water-oxidation and recovery systems of the oxygen-evolving complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3063","3071","10.1039/c3dt52846d","","","0.71075","MoKα","","","0.0205","","","","0.0485","","","","","","1.077","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029025","14.203","0.002","14.203","0.002","7.6293","0.0013","90","","90","","90","","1539","0.4","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C32 H32 Br N4 O4 Ru2 -","- C32 H32 Br N4 O4 Ru2 -","- C64 H64 Br2 N8 O8 Ru4 -","2","0.125","","Delgado-Martínez, Patricia; González-Prieto, Rodrigo; Gómez-García, Carlos J; Jiménez-Aparicio, Reyes; Priego, José L; Torres, M. Rosario","Structural, magnetic and electrical properties of one-dimensional tetraamidatodiruthenium compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3227","3237","10.1039/c3dt52727a","","","0.71073","MoKα","","0.0379","0.0323","","","0.095","0.1023","","","","","","0.992","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029026","13.082","0.002","11.138","0.002","22.418","0.005","90","","97.86","0.03","90","","3235.8","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Br N4 O4 Ru2 -","- C32 H32 Br N4 O4 Ru2 -","- C128 H128 Br4 N16 O16 Ru8 -","4","1","","Delgado-Martínez, Patricia; González-Prieto, Rodrigo; Gómez-García, Carlos J; Jiménez-Aparicio, Reyes; Priego, José L; Torres, M. Rosario","Structural, magnetic and electrical properties of one-dimensional tetraamidatodiruthenium compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3227","3237","10.1039/c3dt52727a","","","0.71073","MoKα","","0.1726","0.0966","","","0.2353","0.3303","","","","","","1.01","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029027","26.942","0.006","10.424","0.002","13.01","0.002","90","","113.32","0.03","90","","3355.3","1.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Br N4 O4 Ru2 -","- C32 H32 Br N4 O4 Ru2 -","- C128 H128 Br4 N16 O16 Ru8 -","4","0.5","","Delgado-Martínez, Patricia; González-Prieto, Rodrigo; Gómez-García, Carlos J; Jiménez-Aparicio, Reyes; Priego, José L; Torres, M. Rosario","Structural, magnetic and electrical properties of one-dimensional tetraamidatodiruthenium compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3227","3237","10.1039/c3dt52727a","","","0.71073","MoKα","","0.0974","0.0441","","","0.1127","0.1659","","","","","","0.999","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029028","11.8852","0.0007","13.4489","0.0008","20.6974","0.0012","94.477","0.001","94.735","0.001","90.345","0.001","3286.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 I N4 O4 Ru2 -","- C32 H32 I N4 O4 Ru2 -","- C128 H128 I4 N16 O16 Ru8 -","4","2","","Delgado-Martínez, Patricia; González-Prieto, Rodrigo; Gómez-García, Carlos J; Jiménez-Aparicio, Reyes; Priego, José L; Torres, M. Rosario","Structural, magnetic and electrical properties of one-dimensional tetraamidatodiruthenium compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3227","3237","10.1039/c3dt52727a","","","0.71073","MoKα","","0.0943","0.0423","","","0.0838","0.105","","","","","","0.993","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029029","11.076","0.002","22.551","0.004","13.443","0.002","90","","95.303","0.004","90","","3343.4","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 I N4 O4 Ru2 -","- C32 H32 I N4 O4 Ru2 -","- C128 H128 I4 N16 O16 Ru8 -","4","1","","Delgado-Martínez, Patricia; González-Prieto, Rodrigo; Gómez-García, Carlos J; Jiménez-Aparicio, Reyes; Priego, José L; Torres, M. Rosario","Structural, magnetic and electrical properties of one-dimensional tetraamidatodiruthenium compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3227","3237","10.1039/c3dt52727a","","","0.71073","MoKα","","0.1798","0.0805","","","0.1972","0.2893","","","","","","1.075","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029030","13.47","0.004","18.229","0.006","15.637","0.007","90","","110.823","0.007","90","","3589","2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H32 I N4 O4 Ru2 -","- C32 H32 I N4 O4 Ru2 -","- C128 H128 I4 N16 O16 Ru8 -","4","0.5","","Delgado-Martínez, Patricia; González-Prieto, Rodrigo; Gómez-García, Carlos J; Jiménez-Aparicio, Reyes; Priego, José L; Torres, M. Rosario","Structural, magnetic and electrical properties of one-dimensional tetraamidatodiruthenium compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3227","3237","10.1039/c3dt52727a","","","0.71073","MoKα","","0.1885","0.0815","","","0.2057","0.2959","","","","","","1.084","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029031","21.801","0.0015","15.0617","0.001","21.8954","0.0015","90","","119.096","0.001","90","","6282.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 Cl2 Co N5 O6.5 -","- C30 H37 Cl2 Co N5 O6.5 -","- C240 H296 Cl16 Co8 N40 O52 -","8","2","","Adolph, M.; Zevaco, T. A.; Altesleben, C.; Walter, O.; Dinjus, E.","New cobalt, iron and chromium catalysts based on easy-to-handle N4-chelating ligands for the coupling reaction of epoxides with CO2.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3285","3296","10.1039/c3dt53084a","","","0.71073","MoKα","","0.0822","0.0423","","","0.0888","0.1059","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029032","10.273","0.0005","11.9909","0.0006","23.3174","0.0012","90","","101.622","0.001","90","","2813.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Br2 Co N6 O4 -","- C26 H31 Br2 Co N6 O4 -","- C104 H124 Br8 Co4 N24 O16 -","4","1","","Adolph, M.; Zevaco, T. A.; Altesleben, C.; Walter, O.; Dinjus, E.","New cobalt, iron and chromium catalysts based on easy-to-handle N4-chelating ligands for the coupling reaction of epoxides with CO2.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3285","3296","10.1039/c3dt53084a","","","0.71073","MoKα","","0.0354","0.0273","","","0.069","0.0726","","","","","","1.038","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029033","17.824","0.0015","16.6669","0.0014","20.3735","0.0017","90","","101.502","0.001","90","","5930.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H74.5 Br4 Co2 N10 O5.25 -","- C56 H74 Br4 Co2 N10 O5.25 -","- C224 H296 Br16 Co8 N40 O21 -","4","1","","Adolph, M.; Zevaco, T. A.; Altesleben, C.; Walter, O.; Dinjus, E.","New cobalt, iron and chromium catalysts based on easy-to-handle N4-chelating ligands for the coupling reaction of epoxides with CO2.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3285","3296","10.1039/c3dt53084a","","","0.71073","MoKα","","0.0798","0.039","","","0.062","0.0706","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029034","34.03","0.02","11.901","0.008","23.495","0.016","90","","94.843","0.008","90","","9481","11","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H120 As10 Cu2 N24 Ni4 S18 -","- C36 H120 As10 Cu2 N24 Ni4 S18 -","- C144 H480 As40 Cu8 N96 Ni16 S72 -","4","0.5","","Liu, Xing; Zhou, Jian; An, Litao; Bian, Guo-Qing; Zhao, Rongqing; Mo, Zongwen","[Ni(dap)3]4[As10Cu2S18]: a new thioarsenate containing the rare [As3CuS6] cluster with mixed-valence As(2+)/As(3+) ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3055","3058","10.1039/c3dt53103a","","","0.71073","MoKα","","0.0746","0.0396","","","0.0839","0.0951","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029035","38.8251","0.0002","17.6702","0.0002","19.4001","0.0005","90","","90","","90","","13309.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C280 H200 Mn19 O80 -","- C280 H200 Mn19 O80 -","- C560 H400 Mn38 O160 -","2","0.5","","Kornowicz, Arkadiusz; Komorski, Szymon; Wróbel, Zbigniew; Justyniak, Iwona; Nedelko, Natalia; Slawska-Waniewska, Anna; Balawender, Robert; Lewiński, Janusz","Efficient synthesis of manganese(ii) carboxylates: from a trinuclear cluster [Mn3(PhCO2)6(THF)4] to a unique [Mn(PhCO2)2]n chiral 3D network.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3048","3051","10.1039/c3dt53211a","","","0.71073","MoKα","","0.0844","0.0768","","","0.1549","0.159","","","","","","1.165","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029036","11.4356","0.0003","12.0816","0.0002","21.5601","0.0005","85.3518","0.0012","89.0215","0.0012","82.441","0.0014","2943.09","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C124 H143 Mn6 O34 -","- C124 H143.008 Mn6 O34 -","- C124 H143.008 Mn6 O34 -","1","0.5","","Kornowicz, Arkadiusz; Komorski, Szymon; Wróbel, Zbigniew; Justyniak, Iwona; Nedelko, Natalia; Slawska-Waniewska, Anna; Balawender, Robert; Lewiński, Janusz","Efficient synthesis of manganese(ii) carboxylates: from a trinuclear cluster [Mn3(PhCO2)6(THF)4] to a unique [Mn(PhCO2)2]n chiral 3D network.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3048","3051","10.1039/c3dt53211a","","","0.71073","MoKα","","0.053","0.045","","","0.0971","0.1006","","","","","","1.072","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029037","12.447","0.0013","18.712","0.0016","21.509","0.002","91.782","0.006","90.506","0.006","108.686","0.004","4742.3","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H140 Mn6 O28 -","- C76 H140 Mn6 O28 -","- C152 H280 Mn12 O56 -","2","1","","Kornowicz, Arkadiusz; Komorski, Szymon; Wróbel, Zbigniew; Justyniak, Iwona; Nedelko, Natalia; Slawska-Waniewska, Anna; Balawender, Robert; Lewiński, Janusz","Efficient synthesis of manganese(ii) carboxylates: from a trinuclear cluster [Mn3(PhCO2)6(THF)4] to a unique [Mn(PhCO2)2]n chiral 3D network.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3048","3051","10.1039/c3dt53211a","","","0.71073","MoKα","","0.2292","0.1761","","","0.3905","0.4142","","","","","","1.156","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029038","17.5001","0.0002","18.4522","0.0002","24.6381","0.0002","90","","90","","90","","7956.02","0.14","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C78 H62 Mn6 N4 O22 -","- C78 H62 Mn6 N4 O22 -","- C312 H248 Mn24 N16 O88 -","4","0.5","","Kornowicz, Arkadiusz; Komorski, Szymon; Wróbel, Zbigniew; Justyniak, Iwona; Nedelko, Natalia; Slawska-Waniewska, Anna; Balawender, Robert; Lewiński, Janusz","Efficient synthesis of manganese(ii) carboxylates: from a trinuclear cluster [Mn3(PhCO2)6(THF)4] to a unique [Mn(PhCO2)2]n chiral 3D network.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3048","3051","10.1039/c3dt53211a","","","0.71073","MoKα","","0.0441","0.0345","","","0.0763","0.0802","","","","","","1.046","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029039","8.4685","0.0003","12.1683","0.0004","17.2063","0.0005","90","","90","","90","","1773.06","0.1","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H20 N2 S2 -","- C20 H20 N2 S2 -","- C80 H80 N8 S8 -","4","0.5","","Acosta-Ramirez, Alberto; Cross, Edward D.; McDonald, Robert; Bierenstiel, Matthias","Binuclear ruthenium η(6)-arene complexes with tetradentate N,S-ligands containing the ortho-aminothiophenol motif.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3104","3113","10.1039/c3dt53075b","","","0.71073","MoKα","","0.0321","0.0284","","","0.0758","0.0788","","","","","","1.068","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029040","11.234","0.002","15.755","0.009","22.977","0.007","90","","90","","90","","4067","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H7 B F10 N2 S -","- C22 H7 B F10 N2 S -","- C176 H56 B8 F80 N16 S8 -","8","2","","Weber, Lothar; Halama, Johannes; Hanke, Kenny; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Fox, Mark A.","On the ambiguity of 1,3,2-benzodiazaboroles as donor/acceptor functionalities in luminescent molecules.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3347","3363","10.1039/c3dt52836g","","","0.71073","MoKα","","0.102","0.0745","","","0.1614","0.1753","","","","","","1.103","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029041","8.6356","0.0003","12.0927","0.0005","15.2734","0.0005","102.823","0.0017","91.6271","0.0013","93.391","0.0015","1551.05","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 B2 F10 N4 -","- C34 H22 B2 F10 N4 -","- C68 H44 B4 F20 N8 -","2","1","","Weber, Lothar; Halama, Johannes; Hanke, Kenny; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Fox, Mark A.","On the ambiguity of 1,3,2-benzodiazaboroles as donor/acceptor functionalities in luminescent molecules.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3347","3363","10.1039/c3dt52836g","","","1.54178","CuKα","","0.0366","0.0344","","","0.0961","0.0989","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029042","8.4303","0.0006","20.4508","0.0014","17.5857","0.0012","90","","94.393","0.004","90","","3023","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H22 B2 F8 N6 -","- C32 H22 B2 F8 N6 -","- C128 H88 B8 F32 N24 -","4","2","","Weber, Lothar; Halama, Johannes; Hanke, Kenny; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Fox, Mark A.","On the ambiguity of 1,3,2-benzodiazaboroles as donor/acceptor functionalities in luminescent molecules.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3347","3363","10.1039/c3dt52836g","","","0.71073","MoKα","","0.0503","0.0384","","","0.0907","0.0974","","","","","","1.011","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029043","13.553","0.0008","15.9823","0.001","16.9069","0.001","106.763","0.003","106.383","0.003","107.713","0.003","3053.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H20 B2 F10 N4 S -","- C32 H20 B2 F10 N4 S -","- C128 H80 B8 F40 N16 S4 -","4","2","","Weber, Lothar; Halama, Johannes; Hanke, Kenny; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Fox, Mark A.","On the ambiguity of 1,3,2-benzodiazaboroles as donor/acceptor functionalities in luminescent molecules.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3347","3363","10.1039/c3dt52836g","","","0.71073","MoKα","","0.0449","0.0335","","","0.0806","0.0882","","","","","","1.017","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029044","15.686","0.005","16.555","0.005","25.329","0.005","94.871","0.005","104.68","0.005","109.436","0.005","5896","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H106 N12 O22 P4 Sn6 -","- C96 H106 N12 O22 P4 Sn6 -","- C192 H212 N24 O44 P8 Sn12 -","2","1","","Metre, Ramesh K.; Mohapatra, Chandrajeet; Sahoo, Dipankar; Chandrasekhar, Vadapalli","Assembly of hexa- and trinuclear monoorganostannoxanes: hemi-labile nature of intramolecular N→Sn coordination in RSnCl3 (R = 2-phenylazophenyl).","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3364","3371","10.1039/c3dt53050g","","","0.71069","MoKα","","0.0988","0.0658","","","0.1658","0.1914","","","","","","0.956","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029045","24.017","0.005","20.738","0.005","21.962","0.005","90","0.005","96.639","0.005","90","0.005","10865","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H110 N12 O22 P4 Sn6 -","- C104 H110 N12 O22 P4 Sn6 -","- C416 H440 N48 O88 P16 Sn24 -","4","0.5","","Metre, Ramesh K.; Mohapatra, Chandrajeet; Sahoo, Dipankar; Chandrasekhar, Vadapalli","Assembly of hexa- and trinuclear monoorganostannoxanes: hemi-labile nature of intramolecular N→Sn coordination in RSnCl3 (R = 2-phenylazophenyl).","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3364","3371","10.1039/c3dt53050g","","","0.71069","MoKα","","0.0871","0.0531","","","0.1131","0.1348","","","","","","1.023","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029046","13.185","0.005","14.386","0.005","16.439","0.005","105.986","0.005","100.34","0.005","94.817","0.005","2919.4","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H86 N16 O34 P4 Sn6 -","- C104 H86 N16 O34 P4 Sn6 -","- C104 H86 N16 O34 P4 Sn6 -","1","0.5","","Metre, Ramesh K.; Mohapatra, Chandrajeet; Sahoo, Dipankar; Chandrasekhar, Vadapalli","Assembly of hexa- and trinuclear monoorganostannoxanes: hemi-labile nature of intramolecular N→Sn coordination in RSnCl3 (R = 2-phenylazophenyl).","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3364","3371","10.1039/c3dt53050g","","","0.71069","MoKα","","0.1369","0.0795","","","0.1834","0.2162","","","","","","0.966","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029047","25.319","0.005","14.135","0.005","44.872","0.005","90","0.005","93.512","0.005","90","0.005","16029","7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H97 N7 O13 P4 Sn3 -","- C70 H97 N7 O13 P4 Sn3 -","- C560 H776 N56 O104 P32 Sn24 -","8","1","","Metre, Ramesh K.; Mohapatra, Chandrajeet; Sahoo, Dipankar; Chandrasekhar, Vadapalli","Assembly of hexa- and trinuclear monoorganostannoxanes: hemi-labile nature of intramolecular N→Sn coordination in RSnCl3 (R = 2-phenylazophenyl).","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3364","3371","10.1039/c3dt53050g","","","0.71069","MoKα","","0.109","0.0685","","","0.162","0.1879","","","","","","1.03","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029048","10.747","0.005","15.94","0.005","26.121","0.005","102.795","0.005","94.468","0.005","108.233","0.005","4092","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C87 H75 Cl2 N7 O12 P4 Sn3 -","- C87 H75 Cl2 N7 O12 P4 Sn3 -","- C174 H150 Cl4 N14 O24 P8 Sn6 -","2","1","","Metre, Ramesh K.; Mohapatra, Chandrajeet; Sahoo, Dipankar; Chandrasekhar, Vadapalli","Assembly of hexa- and trinuclear monoorganostannoxanes: hemi-labile nature of intramolecular N→Sn coordination in RSnCl3 (R = 2-phenylazophenyl).","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3364","3371","10.1039/c3dt53050g","","","0.71069","MoKα","","0.0709","0.0518","","","0.1319","0.1658","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029049","18.758","0.0018","15.0409","0.0014","17.1991","0.0016","90","","90","","90","","4852.5","0.8","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C25 H29 Br N2 O3 -","- C25 H29 Br N2 O3 -","- C200 H232 Br8 N16 O24 -","8","1","","Su, Jia-Hong; Lee, Gene-Hsiang; Peng, Shie-Ming; Chiu, Ching-Wen","A spiroborate-based anionic bis-N-heterocyclic carbene.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3059","3062","10.1039/c3dt52131a","","","0.71073","MoKα","","0.0698","0.045","","","0.1093","0.1237","","","","","","1.028","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029050","8.8956","0.0002","17.9979","0.0004","30.9329","0.0007","90","","90.3726","0.0009","90","","4952.32","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H58.78 B Br N4 O5.61 -","- C54 H58.786 B Br N4 O5.607 -","- C216 H235.144 B4 Br4 N16 O22.428 -","4","1","","Su, Jia-Hong; Lee, Gene-Hsiang; Peng, Shie-Ming; Chiu, Ching-Wen","A spiroborate-based anionic bis-N-heterocyclic carbene.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3059","3062","10.1039/c3dt52131a","","","0.71073","MoKα","","0.0944","0.0645","","","0.1788","0.1956","","","","","","1.063","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029051","22.2188","0.0004","19.7828","0.0004","16.8614","0.0003","90","","117.333","0.0009","90","","6584","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63.64 H80.55 B3 K N4 O8.64 -","- C63.64 H80.56 B3 K N4 O8.64 -","- C254.56 H322.24 B12 K4 N16 O34.56 -","4","0.5","","Su, Jia-Hong; Lee, Gene-Hsiang; Peng, Shie-Ming; Chiu, Ching-Wen","A spiroborate-based anionic bis-N-heterocyclic carbene.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3059","3062","10.1039/c3dt52131a","","","0.71073","MoKα","","0.1245","0.0811","","","0.2483","0.2823","","","","","","1.045","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029052","25.953","0.005","11.773","0.002","14.429","0.003","90","","103.65","0.03","90","","4284.2","1.5","198","","198","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N3 O2 Pt -","- C22 H21 N3 O2 Pt -","- C176 H168 N24 O16 Pt8 -","8","1","","Tronnier, Alexander; Metz, Stefan; Wagenblast, Gerhard; Muenster, Ingo; Strassner, Thomas","Blue phosphorescent nitrile containing C^C* cyclometalated NHC platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3297","3305","10.1039/c3dt53264j","","x-ray","0.71073","MoKα","","0.0257","0.0207","","","0.0539","0.0567","","","","","","1.139","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029053","12.472","0.0019","9.647","0.0009","16.884","0.0018","90","","110.76","0.007","90","","1899.5","0.4","198","","198","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O2 Pt -","- C20 H23 N3 O2 Pt -","- C80 H92 N12 O8 Pt4 -","4","1","","Tronnier, Alexander; Metz, Stefan; Wagenblast, Gerhard; Muenster, Ingo; Strassner, Thomas","Blue phosphorescent nitrile containing C^C* cyclometalated NHC platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3297","3305","10.1039/c3dt53264j","","x-ray","0.71073","MoKα","","0.0451","0.0227","","","0.0456","0.0502","","","","","","1.148","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029054","10.251","0.002","13.9","0.0006","22.872","0.003","90","","90","","90","","3259","0.8","198","","198","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H37 N3 O2 Pt -","- C38 H37 N3 O2 Pt -","- C152 H148 N12 O8 Pt4 -","4","1","","Tronnier, Alexander; Metz, Stefan; Wagenblast, Gerhard; Muenster, Ingo; Strassner, Thomas","Blue phosphorescent nitrile containing C^C* cyclometalated NHC platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3297","3305","10.1039/c3dt53264j","","x-ray","0.71073","MoKα","","0.0557","0.0359","","","0.0836","0.0904","","","","","","1.215","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029055","15.1635","0.0004","17.9739","0.0004","10.0176","0.0003","90","","90","","90","","2730.27","0.12","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C8 H15 N9 O Zn -","- C8 H10.5 N9 O Zn -","- C64 H84 N72 O8 Zn8 -","8","1","","Wang, Fei; Hou, Duan-Chuan; Yang, Hui; Kang, Yao; Zhang, Jian","Tetrahedral tetrazolate frameworks for high CO2 and H2 uptake.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3210","3214","10.1039/c3dt53269k","","","0.71073","MoKα","","0.039","0.0339","","","0.089","0.0918","","","","","","1.213","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029056","15.6799","0.0014","18.1616","0.0012","9.6615","0.0009","90","","90","","90","","2751.3","0.4","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C5 H10 N8 O Zn -","- C4 H5.5 N8 Zn -","- C32 H44 N64 Zn8 -","8","1","","Wang, Fei; Hou, Duan-Chuan; Yang, Hui; Kang, Yao; Zhang, Jian","Tetrahedral tetrazolate frameworks for high CO2 and H2 uptake.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3210","3214","10.1039/c3dt53269k","","","0.71073","MoKα","","0.0718","0.0564","","","0.144","0.1516","","","","","","0.97","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029057","13.2925","0.0011","13.66","0.0007","9.5631","0.0009","90","","126.84","0.013","90","","1389.7","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H15 N9 O Zn -","- C8 H15 N9 O Zn -","- C32 H60 N36 O4 Zn4 -","4","1","","Wang, Fei; Hou, Duan-Chuan; Yang, Hui; Kang, Yao; Zhang, Jian","Tetrahedral tetrazolate frameworks for high CO2 and H2 uptake.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3210","3214","10.1039/c3dt53269k","","","0.71073","MoKα","","0.0545","0.0528","","","0.146","0.1482","","","","","","1.053","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029058","12.989","0.002","13.8218","0.0009","9.2766","0.0012","90","","124.43","0.02","90","","1373.7","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H15 N9 O Zn -","- C9 H15 N9 O Zn -","- C36 H60 N36 O4 Zn4 -","4","1","","Wang, Fei; Hou, Duan-Chuan; Yang, Hui; Kang, Yao; Zhang, Jian","Tetrahedral tetrazolate frameworks for high CO2 and H2 uptake.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3210","3214","10.1039/c3dt53269k","","","0.71073","MoKα","","0.0658","0.042","","","0.0835","0.096","","","","","","0.817","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029059","15.033","0.007","25.599","0.011","15.034","0.007","90","","107.686","0.007","90","","5512","4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C92.5 H116 Cl4 Co10 N12 O41.5 -","- C92.5 H109 Cl4 Co10 N12 O41.5 -","- C185 H218 Cl8 Co20 N24 O83 -","2","1","","Li, Qipeng; Qian, Jinjie; Tian, Chongbin; Lin, Ping; He, Zhangzhen; Wang, Ning; Shen, Jinni; Zhang, Huabin; Chu, Tao; Yuan, Daqiang; Yang, Yi; Xue, Liping; Du, Shaowu","Butterfly-like enantiomerically homochiral {Co(II)6Co(III)4} clusters exhibiting both slow magnetic relaxation and ferroelectric property.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3238","3243","10.1039/c3dt53214c","","","0.71073","MoKα","","0.0641","0.0541","","","0.1251","0.1353","","","","","","1.006","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029060","15.13","0.008","25.739","0.012","15.205","0.007","90","","107.966","0.009","90","","5633","5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C92.5 H116 Cl4 Co10 N12 O41.5 -","- C92.5 H109 Cl4 Co10 N12 O41.5 -","- C185 H218 Cl8 Co20 N24 O83 -","2","1","","Li, Qipeng; Qian, Jinjie; Tian, Chongbin; Lin, Ping; He, Zhangzhen; Wang, Ning; Shen, Jinni; Zhang, Huabin; Chu, Tao; Yuan, Daqiang; Yang, Yi; Xue, Liping; Du, Shaowu","Butterfly-like enantiomerically homochiral {Co(II)6Co(III)4} clusters exhibiting both slow magnetic relaxation and ferroelectric property.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3238","3243","10.1039/c3dt53214c","","","0.71073","MoKα","","0.1404","0.0647","","","0.108","0.1306","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029061","10.6824","0.001","15.2673","0.0013","9.6381","0.0007","90","","90","","90","","1571.9","0.2","203","2","203","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Λ-Bis{(R)-N-(1-phenylethyl)-2-oxo-1-naphthaldiminato- κ^2^N,O}copper(II)","","- C38 H32 Cu N2 O2 -","- C38 H32 Cu N2 O2 -","- C76 H64 Cu2 N4 O4 -","2","0.5","","Enamullah, Mohammed; Uddin, A. K. M. Royhan; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Chamayou, Anne-Christine; Janiak, Christoph","Induced chirality-at-metal and diastereoselectivity at Δ/Λ-configured distorted square-planar copper complexes by enantiopure Schiff base ligands: combined circular dichroism, DFT and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3313","3329","10.1039/c3dt52871e","","","0.71073","MoKα","","0.0618","0.0478","","","0.1091","0.1177","","","","","","1.064","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029062","10.7155","0.0005","15.2302","0.0008","9.5786","0.0005","90","","90","","90","","1563.22","0.14","95","2","95","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Λ-Bis{(R)-N-(1-phenylethyl)-2-oxo-1-naphthaldiminato- κ^2^N,O}copper(II)","","- C38 H32 Cu N2 O2 -","- C38 H32 Cu N2 O2 -","- C76 H64 Cu2 N4 O4 -","2","0.5","","Enamullah, Mohammed; Uddin, A. K. M. Royhan; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Chamayou, Anne-Christine; Janiak, Christoph","Induced chirality-at-metal and diastereoselectivity at Δ/Λ-configured distorted square-planar copper complexes by enantiopure Schiff base ligands: combined circular dichroism, DFT and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3313","3329","10.1039/c3dt52871e","","","0.71073","MoKα","","0.0325","0.031","","","0.0846","0.0853","","","","","","1.07","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029063","10.6662","0.0016","15.3354","0.0019","9.764","0.003","90","","90","","90","","1597.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Δ-Bis{(R)-N-(1-phenylethyl)-2-oxo-1-naphthaldiminato- κ^2^N,O}copper(II)","","- C38 H32 Cu N2 O2 -","- C38 H32 Cu N2 O2 -","- C76 H64 Cu2 N4 O4 -","2","0.5","","Enamullah, Mohammed; Uddin, A. K. M. Royhan; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Chamayou, Anne-Christine; Janiak, Christoph","Induced chirality-at-metal and diastereoselectivity at Δ/Λ-configured distorted square-planar copper complexes by enantiopure Schiff base ligands: combined circular dichroism, DFT and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3313","3329","10.1039/c3dt52871e","","","0.71073","MoKα","","0.0977","0.0874","","","0.2159","0.2297","","","","","","1.099","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029064","10.6477","0.0014","15.3321","0.0015","9.7742","0.0019","90","","90","","90","","1595.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Δ-Bis{(R)-N-(1-phenylethyl)-2-oxo-1-naphthaldiminato- κ^2^N,O}copper(II)","","- C38 H32 Cu N2 O2 -","- C38 H32 Cu N2 O2 -","- C76 H64 Cu2 N4 O4 -","2","0.5","","Enamullah, Mohammed; Uddin, A. K. M. Royhan; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Chamayou, Anne-Christine; Janiak, Christoph","Induced chirality-at-metal and diastereoselectivity at Δ/Λ-configured distorted square-planar copper complexes by enantiopure Schiff base ligands: combined circular dichroism, DFT and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3313","3329","10.1039/c3dt52871e","","","0.71073","MoKα","","0.0558","0.0457","","","0.1136","0.1198","","","","","","1.013","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029065","10.4041","0.0008","12.3307","0.0009","13.4434","0.0011","89.643","0.004","83.777","0.004","74.684","0.004","1653.1","0.2","203","2","203","2","","","","","","","","5","P 1","P 1","1","","Δ-Λ-rac-Bis{(R)-N-1-(3-methoxyphenyl)ethyl-2-oxo-1-naphthaldiminato- κ^2^N,O}copper(II)","","- C40 H36 Cu N2 O4 -","- C40 H36 Cu N2 O4 -","- C80 H72 Cu2 N4 O8 -","2","2","","Enamullah, Mohammed; Uddin, A. K. M. Royhan; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Chamayou, Anne-Christine; Janiak, Christoph","Induced chirality-at-metal and diastereoselectivity at Δ/Λ-configured distorted square-planar copper complexes by enantiopure Schiff base ligands: combined circular dichroism, DFT and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3313","3329","10.1039/c3dt52871e","","","0.71073","MoKα","","0.0784","0.0431","","","0.0788","0.0907","","","","","","0.961","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029066","10.3705","0.0013","12.2802","0.0016","13.3595","0.0016","88.882","0.009","83.365","0.009","74.444","0.008","1627.9","0.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","Δ-Λ-rac-Bis{(R)-N-1-(3-methoxyphenyl)ethyl-2-oxo-1-naphthaldiminato- κ^2^N,O}copper(II)","","- C40 H36 Cu N2 O4 -","- C40 H36 Cu N2 O4 -","- C80 H72 Cu2 N4 O8 -","2","2","","Enamullah, Mohammed; Uddin, A. K. M. Royhan; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Chamayou, Anne-Christine; Janiak, Christoph","Induced chirality-at-metal and diastereoselectivity at Δ/Λ-configured distorted square-planar copper complexes by enantiopure Schiff base ligands: combined circular dichroism, DFT and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3313","3329","10.1039/c3dt52871e","","","0.71073","MoKα","","0.0638","0.0477","","","0.0926","0.0996","","","","","","1.01","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029067","16.146","0.005","5.602","0.003","17.357","0.006","90","","99.1","0.03","90","","1550.2","1.1","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Λ-rac-Bis{(R)-N-1-(4-bromophenyl)ethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}copper(II)","","- C38 H30 Br2 Cu N2 O2 -","- C38 H30 Br2 Cu N2 O2 -","- C76 H60 Br4 Cu2 N4 O4 -","2","1","","Enamullah, Mohammed; Uddin, A. K. M. Royhan; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Chamayou, Anne-Christine; Janiak, Christoph","Induced chirality-at-metal and diastereoselectivity at Δ/Λ-configured distorted square-planar copper complexes by enantiopure Schiff base ligands: combined circular dichroism, DFT and X-ray structural studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3313","3329","10.1039/c3dt52871e","","","0.71073","MoKα","","0.0498","0.0326","","","0.0574","0.061","","","","","","0.916","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029068","10.3014","0.0003","18.1303","0.0005","35.8617","0.0012","90","","90","","90","","6697.8","0.3","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Br Cl O2 Pt S3 -","- C12 H14 Br Cl O2 Pt S3 -","- C192 H224 Br16 Cl16 O32 Pt16 S48 -","16","2","","Mügge, Carolin; Liu, Ruiqi; Görls, Helmar; Gabbiani, Chiara; Michelucci, Elena; Rüdiger, Nadine; Clement, Joachim H.; Messori, Luigi; Weigand, Wolfgang","Novel platinum(ii) compounds with O,S bidentate ligands: synthesis, characterization, antiproliferative properties and biomolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3072","3086","10.1039/c3dt52284a","","","0.71073","MoKα","","0.1527","0.047","","","0.057","0.0729","","","","","","0.898","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029069","7.2779","0.0002","38.6448","0.0011","11.8038","0.0003","90","","90.262","0.001","90","","3319.82","0.16","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cl O2 Pt S3 -","- C13 H17 Cl O2 Pt S3 -","- C104 H136 Cl8 O16 Pt8 S24 -","8","2","","Mügge, Carolin; Liu, Ruiqi; Görls, Helmar; Gabbiani, Chiara; Michelucci, Elena; Rüdiger, Nadine; Clement, Joachim H.; Messori, Luigi; Weigand, Wolfgang","Novel platinum(ii) compounds with O,S bidentate ligands: synthesis, characterization, antiproliferative properties and biomolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3072","3086","10.1039/c3dt52284a","","","0.71073","MoKα","","0.0799","0.0467","","","0.0927","0.1034","","","","","","1.023","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029070","9.2471","0.0004","22.4832","0.0009","10.1091","0.0005","90","","103.774","0.003","90","","2041.29","0.16","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O2 Pt S4 -","- C20 H18 O2 Pt S4 -","- C80 H72 O8 Pt4 S16 -","4","1","","Mügge, Carolin; Liu, Ruiqi; Görls, Helmar; Gabbiani, Chiara; Michelucci, Elena; Rüdiger, Nadine; Clement, Joachim H.; Messori, Luigi; Weigand, Wolfgang","Novel platinum(ii) compounds with O,S bidentate ligands: synthesis, characterization, antiproliferative properties and biomolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3072","3086","10.1039/c3dt52284a","","","0.71073","MoKα","","0.0846","0.0435","","","0.0828","0.0929","","","","","","1.117","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029071","5.6712","0.0001","15.4429","0.0003","34.9571","0.0006","90","","90","","90","","3061.53","0.1","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O2 Pt S4 -","- C30 H38 O2 Pt S4 -","- C120 H152 O8 Pt4 S16 -","4","1","","Mügge, Carolin; Liu, Ruiqi; Görls, Helmar; Gabbiani, Chiara; Michelucci, Elena; Rüdiger, Nadine; Clement, Joachim H.; Messori, Luigi; Weigand, Wolfgang","Novel platinum(ii) compounds with O,S bidentate ligands: synthesis, characterization, antiproliferative properties and biomolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3072","3086","10.1039/c3dt52284a","","","0.71073","MoKα","","0.0461","0.0343","","","0.0516","0.0539","","","","","","1.005","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029072","18.092","0.0005","15.1214","0.0004","18.3971","0.0004","90","","103.738","0.002","90","","4889","0.2","105","2","105","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H63 Ga3 P2 Pd2 -","- C36 H63 Ga3 P2 Pd2 -","- C144 H252 Ga12 P8 Pd8 -","4","1","","Molon, Mariusz; Gemel, Christian; Fischer, Roland A.","Organogallium- and organozinc-rich palladium and platinum clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3114","3120","10.1039/c3dt53003e","","","0.71073","MoKα","","0.0716","0.0466","","","0.1154","0.1254","","","","","","1.052","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029073","17.9964","0.0006","15.2155","0.0004","18.3239","0.0004","90","","103.664","0.003","90","","4875.5","0.2","105","2","105","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C144 H249 Ga12 P8 Pt8 -","- C144 H251 Ga12 P8 Pt8 -","- C144 H251 Ga12 P8 Pt8 -","1","0.25","","Molon, Mariusz; Gemel, Christian; Fischer, Roland A.","Organogallium- and organozinc-rich palladium and platinum clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3114","3120","10.1039/c3dt53003e","","","0.71073","MoKα","","0.0862","0.0492","","","0.099","0.1114","","","","","","0.957","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029074","23.3586","0.0003","17.718","0.0002","23.6868","0.0003","90","","101.709","0.002","90","","9599.2","0.2","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H72 Ga3 P3 Pd3 -","- C39 H72 Ga3 P3 Pd3 -","- C312 H576 Ga24 P24 Pd24 -","8","2","","Molon, Mariusz; Gemel, Christian; Fischer, Roland A.","Organogallium- and organozinc-rich palladium and platinum clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3114","3120","10.1039/c3dt53003e","","","0.71073","MoKα","","0.0632","0.0454","","","0.0964","0.1033","","","","","","1.239","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029075","12.4477","0.0001","12.4477","0.0001","27.5483","0.0006","90","","90","","90","","4268.48","0.1","105","2","105","2","","","","","","","","5","P 43","P 4cw","78","","","","- C28 H69 P5 Pd2 Zn4 -","- C28 H69 P5 Pd2 Zn4 -","- C112 H276 P20 Pd8 Zn16 -","4","1","","Molon, Mariusz; Gemel, Christian; Fischer, Roland A.","Organogallium- and organozinc-rich palladium and platinum clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3114","3120","10.1039/c3dt53003e","","","0.71073","MoKα","","0.05","0.044","","","0.1072","0.1109","","","","","","1.021","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029076","11.7556","0.0004","18.4752","0.0007","16.4826","0.0006","90","","91.654","0.003","90","","3578.3","0.2","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H54 P2 Pt Zn4 -","- C28 H54 P2 Pt Zn4 -","- C112 H216 P8 Pt4 Zn16 -","4","1","","Molon, Mariusz; Gemel, Christian; Fischer, Roland A.","Organogallium- and organozinc-rich palladium and platinum clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3114","3120","10.1039/c3dt53003e","","","1.54184","CuKα","","0.0578","0.0502","","","0.1317","0.1398","","","","","","1.045","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029077","15.7038","0.0012","9.9564","0.0007","23.8274","0.0018","90","","93.468","0.001","90","","3718.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 Cl10 N18 Ni5 O2 -","- C62 H70 Cl10 N18 Ni5 O2 -","- C124 H140 Cl20 N36 Ni10 O4 -","2","0.5","","Tzeng, Yen-Wen; Lin, Chang-Jui; Nakano, Motohiro; Yang, Chen-I; Wan, Wun-Long; Lai, Long-Li","A semi-flexible aminotriazine-based bis-methylpyridine ligand for the design of nickel(ii) spin clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3044","3047","10.1039/c3dt52903g","","","0.71073","MoKα","","0.0605","0.0382","","","0.0865","0.0974","","","","","","1.027","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029078","11.9623","0.0007","13.3874","0.0008","14.2964","0.0009","65.352","0.001","72.94","0.001","75.14","0.001","1965.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H74 Br10 N16 Ni6 O4 -","- C66 H74 Br10 N16 Ni6 O4 -","- C66 H74 Br10 N16 Ni6 O4 -","1","0.5","","Tzeng, Yen-Wen; Lin, Chang-Jui; Nakano, Motohiro; Yang, Chen-I; Wan, Wun-Long; Lai, Long-Li","A semi-flexible aminotriazine-based bis-methylpyridine ligand for the design of nickel(ii) spin clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3044","3047","10.1039/c3dt52903g","","","0.71073","MoKα","","0.0376","0.0256","","","0.0481","0.0506","","","","","","0.988","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029079","20.7801","0.0004","23.2258","0.0005","21.9267","0.0005","90","","96.712","0.001","90","","10510","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C102 H92 Au5 Cl4 Cu F12 O P8 -","- C102 H92 Au5 Cl4 Cu F12 O P8 -","- C408 H368 Au20 Cl16 Cu4 F48 O4 P32 -","4","1","","Krytchankou, Ilya S.; Krupenya, Dmitry V.; Karttunen, Antti J.; Tunik, Sergey P.; Pakkanen, Tapani A.; Chou, Pi-Tai; Koshevoy, Igor O.","Triphosphine-supported bimetallic Au(I)-M(I) (M = Ag, Cu) alkynyl clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3383","3394","10.1039/c3dt52658e","","","0.71073","MoKα","","0.086","0.0523","","","0.1212","0.1469","","","","","","1.062","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029080","12.579","0.0004","22.2737","0.0007","26.5801","0.0008","98.668","0.002","103.591","0.002","93.497","0.002","7119.9","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H70 Au3 Cl8 Cu F6 O3 P4 -","- C60 H70 Au3 Cl8 Cu F6 O3 P4 -","- C240 H280 Au12 Cl32 Cu4 F24 O12 P16 -","4","2","","Krytchankou, Ilya S.; Krupenya, Dmitry V.; Karttunen, Antti J.; Tunik, Sergey P.; Pakkanen, Tapani A.; Chou, Pi-Tai; Koshevoy, Igor O.","Triphosphine-supported bimetallic Au(I)-M(I) (M = Ag, Cu) alkynyl clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3383","3394","10.1039/c3dt52658e","","","0.71073","MoKα","","0.045","0.0363","","","0.0915","0.0985","","","","","","1.06","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029081","33.6618","0.0009","16.3116","0.0005","25.0341","0.0007","90","","97.286","0.002","90","","13634.7","0.7","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C123 H146 Au6 Cl4 Cu2 F12 O9 P8 -","- C123 H146 Au6 Cl4 Cu2 F12 O9 P8 -","- C492 H584 Au24 Cl16 Cu8 F48 O36 P32 -","4","0.5","","Krytchankou, Ilya S.; Krupenya, Dmitry V.; Karttunen, Antti J.; Tunik, Sergey P.; Pakkanen, Tapani A.; Chou, Pi-Tai; Koshevoy, Igor O.","Triphosphine-supported bimetallic Au(I)-M(I) (M = Ag, Cu) alkynyl clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3383","3394","10.1039/c3dt52658e","","","0.71073","MoKα","","0.0781","0.0622","","","0.137","0.1411","","","","","","1.112","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029082","15.6466","0.0004","23.6922","0.0007","20.462","0.0004","90","","93.024","0.001","90","","7574.7","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C144 H184 Au6 Cu2 F12 O10 P8 -","- C144 H184 Au6 Cu2 F12 O10 P8 -","- C288 H368 Au12 Cu4 F24 O20 P16 -","2","1","","Krytchankou, Ilya S.; Krupenya, Dmitry V.; Karttunen, Antti J.; Tunik, Sergey P.; Pakkanen, Tapani A.; Chou, Pi-Tai; Koshevoy, Igor O.","Triphosphine-supported bimetallic Au(I)-M(I) (M = Ag, Cu) alkynyl clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3383","3394","10.1039/c3dt52658e","","","0.71073","MoKα","","0.0533","0.0455","","","0.1213","0.1257","","","","","","1.063","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029083","15.6391","0.0007","24.0712","0.001","20.4371","0.0008","90","","90.928","0.002","90","","7692.6","0.6","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C146 H184 Ag2 Au6 Cl8 F12 O8 P8 -","- C146 H184 Ag2 Au6 Cl8 F12 O8 P8 -","- C292 H368 Ag4 Au12 Cl16 F24 O16 P16 -","2","1","","Krytchankou, Ilya S.; Krupenya, Dmitry V.; Karttunen, Antti J.; Tunik, Sergey P.; Pakkanen, Tapani A.; Chou, Pi-Tai; Koshevoy, Igor O.","Triphosphine-supported bimetallic Au(I)-M(I) (M = Ag, Cu) alkynyl clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3383","3394","10.1039/c3dt52658e","","","0.71073","MoKα","","0.0271","0.0243","","","0.061","0.0625","","","","","","1.042","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029084","47.7559","0.001","13.9314","0.0003","22.5632","0.0005","90","","105.841","0.001","90","","14441.4","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C272 H380 Ag4 Au12 F24 O17 P16 -","- C272 H378 Ag4 Au12 F24 O17 P16 -","- C544 H756 Ag8 Au24 F48 O34 P32 -","2","0.25","","Krytchankou, Ilya S.; Krupenya, Dmitry V.; Karttunen, Antti J.; Tunik, Sergey P.; Pakkanen, Tapani A.; Chou, Pi-Tai; Koshevoy, Igor O.","Triphosphine-supported bimetallic Au(I)-M(I) (M = Ag, Cu) alkynyl clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3383","3394","10.1039/c3dt52658e","","","0.71073","MoKα","","0.0354","0.0256","","","0.0583","0.063","","","","","","1.034","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029085","10.8103","0.0012","14.5972","0.0012","12.1913","0.0014","90","","114.061","0.013","90","","1756.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl N3 Ni O2 -","- C18 H20 Cl N3 Ni O2 -","- C72 H80 Cl4 N12 Ni4 O8 -","4","1","","Nartop, Dilek; Clegg, William; Harrington, Ross W.; Henderson, Richard A.; Wills, Corinne Y.","Binding multidentate ligands to Ni(2+): kinetic identification of preferential binding sites.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3372","3382","10.1039/c3dt53359j","","","0.71073","MoKα","","0.1282","0.0856","","","0.202","0.2425","","","","","","1.022","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029086","13.9076","0.0007","11.3295","0.0005","14.162","0.0007","90","","117.87","0.0008","90","","1972.62","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 Cl2 N5 Ni O -","- C17 H27 Cl2 N5 Ni O -","- C68 H108 Cl8 N20 Ni4 O4 -","4","1","","Nartop, Dilek; Clegg, William; Harrington, Ross W.; Henderson, Richard A.; Wills, Corinne Y.","Binding multidentate ligands to Ni(2+): kinetic identification of preferential binding sites.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3372","3382","10.1039/c3dt53359j","","","0.71073","MoKα","","0.052","0.0348","","","0.0713","0.0776","","","","","","1.063","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029087","9.2913","0.0005","10.2003","0.0005","12.0495","0.0007","83.85","0.004","67.556","0.005","82.657","0.004","1044.7","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H50 Cl4 N10 Ni2 O4 -","- C34 H50 Cl4 N10 Ni2 O4 -","- C34 H50 Cl4 N10 Ni2 O4 -","1","0.5","","Nartop, Dilek; Clegg, William; Harrington, Ross W.; Henderson, Richard A.; Wills, Corinne Y.","Binding multidentate ligands to Ni(2+): kinetic identification of preferential binding sites.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3372","3382","10.1039/c3dt53359j","","","0.71073","MoKα","","0.0289","0.0236","","","0.0598","0.0609","","","","","","1.053","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029088","23.9245","0.0006","23.9245","0.0006","13.3123","0.0004","90","","90","","120","","6598.9","0.3","120","","120","","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C36 H60 F12 N6 Na2 O6 P2 -","- C36 H60 F12 N6 Na2 O6 P2 -","- C216 H360 F72 N36 Na12 O36 P12 -","6","1","","Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W.","N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3153","3161","10.1039/c3dt53001a","","","0.7107","MoKα","","0.177","0.1126","","","0.2853","0.3214","","","","","","1.079","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7029089","11.6287","0.0006","13.8824","0.0007","20.0682","0.001","90","","90","","90","","3239.7","0.3","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H21 F6 N2 O3 P -","- C12 H21 F6 N2 O3 P -","- C96 H168 F48 N16 O24 P8 -","8","1","","Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W.","N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3153","3161","10.1039/c3dt53001a","","","0.7107","MoKα","","0.0885","0.0618","","","0.1604","0.1873","","","","","","1.06","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029090","7.0768","0.0004","8.5945","0.0005","12.917","0.0007","77.011","0.005","77.346","0.004","74.071","0.005","725.68","0.07","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 F6 N4 Na O6 P -","- C24 H40 F6 N4 Na O6 P -","- C24 H40 F6 N4 Na O6 P -","1","0.5","","Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W.","N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3153","3161","10.1039/c3dt53001a","","","0.7107","MoKα","","0.0432","0.0377","","","0.0956","0.0995","","","","","","1.064","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029091","13.848","0.002","17.969","0.003","16.913","0.003","90","","107.686","0.018","90","","4009.6","1.2","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 F18 N4 Na3 O8 P3 -","- C24 H44 F18 N4 Na3 O8 P3 -","- C96 H176 F72 N16 Na12 O32 P12 -","4","0.5","","Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W.","N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3153","3161","10.1039/c3dt53001a","","","0.7107","MoKα","","0.3039","0.1745","","","0.4286","0.4949","","","","","","1.31","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7029092","13.201","0.0004","13.6768","0.0004","18.1009","0.0005","85.7","0.002","84.89","0.002","88.882","0.002","3245.65","0.16","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H80.56 F18 N8 Na3 O12.28 P3 -","- C48 H80 F18 N8 Na3 O12.284 P3 -","- C96 H160 F36 N16 Na6 O24.568 P6 -","2","1","","Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W.","N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3153","3161","10.1039/c3dt53001a","","","0.7107","MoKα","","0.0879","0.0563","","","0.1197","0.137","","","","","","1.029","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029093","11.1886","0.0005","13.3508","0.0005","13.6275","0.0006","90","","111.547","0.005","90","","1893.37","0.15","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 F12 N4 Na2 O8 P2 -","- C26 H48 F12 N4 Na2 O8 P2 -","- C52 H96 F24 N8 Na4 O16 P4 -","2","0.5","","Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W.","N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3153","3161","10.1039/c3dt53001a","","","0.7107","MoKα","","0.0985","0.0618","","","0.1266","0.148","","","","","","1.043","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029094","11.938","0.0005","12.1701","0.0005","13.1018","0.0007","67.444","0.004","75.171","0.004","78.989","0.003","1690.15","0.14","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H88 B2 N4 Na2 O10 -","- C72 H88 B2 N4 Na2 O10 -","- C72 H88 B2 N4 Na2 O10 -","1","0.5","","Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W.","N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3153","3161","10.1039/c3dt53001a","","","0.7107","MoKα","","0.0791","0.0502","","","0.1006","0.1132","","","","","","1.023","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029095","11.5127","0.0006","13.7549","0.0009","15.9209","0.0007","71.514","0.005","79.756","0.004","66.772","0.005","2193.2","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C96 H120 B2 N8 Na2 O12 -","- C96 H120 B2 N8 Na2 O12 -","- C96 H120 B2 N8 Na2 O12 -","1","0.5","","Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W.","N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3153","3161","10.1039/c3dt53001a","","","0.7107","MoKα","","0.0784","0.0513","","","0.109","0.1235","","","","","","1.032","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029096","7.0028","0.0002","8.6199","0.0003","13.2814","0.0004","79.41","0.003","79.591","0.003","74.036","0.003","750.45","0.04","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 F6 K N4 O6 P -","- C24 H40 F6 K N4 O6 P -","- C24 H40 F6 K N4 O6 P -","1","0.5","","Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W.","N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3153","3161","10.1039/c3dt53001a","","","0.71073","MoKα","","0.043","0.0357","","","0.0871","0.0917","","","","","","1.041","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029097","28.4413","0.0011","12.8337","0.0003","23.8944","0.0008","90","","120.757","0.005","90","","7494.9","0.6","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H84 F24 K4 N8 O14 P4 -","- C48 H80 F24 K4 N8 O14 P4 -","- C192 H320 F96 K16 N32 O56 P16 -","4","0.5","","Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W.","N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3153","3161","10.1039/c3dt53001a","","","0.7107","MoKα","","0.0786","0.0677","","","0.1611","0.1688","","","","","","1.046","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029098","41.2572","0.0013","12.8318","0.0004","45.5789","0.0017","90","","111.458","0.004","90","","22457.1","1.4","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H84 F24 K4 N8 O14 P4 -","- C48 H80 F24 K4 N8 O14 P4 -","- C576 H960 F288 K48 N96 O168 P48 -","12","1.5","","Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W.","N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3153","3161","10.1039/c3dt53001a","","","0.7107","MoKα","","0.2262","0.0973","","","0.2059","0.2819","","","","","","0.998","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029099","11.318","0.0006","8.6628","0.0003","16.7004","0.0009","90","","107.888","0.006","90","","1558.25","0.14","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl2 N2 O3 Zn -","- C12 H20 Cl2 N2 O3 Zn -","- C48 H80 Cl8 N8 O12 Zn4 -","4","1","","Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W.","N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3153","3161","10.1039/c3dt53001a","","","0.7107","MoKα","","0.0553","0.037","","","0.0712","0.0787","","","","","","1.042","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029100","7.3556","0.001","17.681","0.002","32.162","0.004","90","","92.518","0.004","90","","4178.8","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 Al3 Dy -","- C12 H36 Al3 Dy -","- C96 H288 Al24 Dy8 -","8","2","","König, Sonja N; Chilton, Nicholas F.; Maichle-Mössmer, Cäcilia; Pineda, Eufemio Moreno; Pugh, Thomas; Anwander, Reiner; Layfield, Richard A.","Fast magnetic relaxation in an octahedral dysprosium tetramethyl-aluminate complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3035","3038","10.1039/c3dt52337c","","","0.71073","MoKα","","0.0292","0.0258","","","0.0554","0.0566","","","","","","1.082","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029101","8.1849","0.0002","12.4435","0.0003","35.6604","0.0008","80.09","0.001","89.547","0.002","75.642","0.002","3463.72","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H56 Cl2 N3 O6 P3 -","- C97 H56 Cl2 N3 O6 P3 -","- C194 H112 Cl4 N6 O12 P6 -","2","1","","Yeşilot, Serkan; Coşut, Bünyemin; Alidağı, Hüsnüye Ardıç; Hacıvelioğlu, Ferda; Ozpınar, Gül Altınbaş; Kılıç, Adem","Intramolecular excimer formation in hexakis(pyrenyloxy)cyclotriphosphazene: photophysical properties, crystal structure, and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3428","3433","10.1039/c3dt52957f","","","0.71073","MoKα","","0.1696","0.1003","","","0.2762","0.3287","","","","","","1.024","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029102","18.745","0.0016","10.81","0.01","13.608","0.012","90","","125.779","0.001","90","","2237","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1,2-bis[(ethylthio)methyl]benzene)bis(trichloroaluminium(III))","","- C12 H18 Al2 Cl6 S2 -","- C12 H18 Al2 Cl6 S2 -","- C48 H72 Al8 Cl24 S8 -","4","0.5","","George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian","Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3637","3648","10.1039/c3dt52991f","","","0.71073","MoKα","","0.1064","0.0994","","","0.1818","0.1861","","","","","","1.082","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029103","14.378","0.003","10.908","0.002","12.374","0.003","90","","90.26","0.003","90","","1940.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dimethylsulfonium tetrachloroaluminate","","- C2 H7 Al Cl4 S -","- C2 H7 Al Cl4 S -","- C16 H56 Al8 Cl32 S8 -","8","2","","George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian","Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3637","3648","10.1039/c3dt52991f","","","0.71073","MoKα","","0.0466","0.0381","","","0.0856","0.0906","","","","","","1.091","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029104","6.708","0.003","10.583","0.005","15.383","0.007","90.07","0.007","102.422","0.01","96.512","0.006","1059.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","trans-dichlorobis(1,2-bis(methylthio)ethane)aluminium tetrachloroaluminate","","- C8 H20 Al2 Cl6 S4 -","- C8 H20 Al2 Cl6 S4 -","- C16 H40 Al4 Cl12 S8 -","2","1","","George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian","Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3637","3648","10.1039/c3dt52991f","","","0.71073","MoKα","","0.0438","0.0347","","","0.059","0.062","","","","","","1.072","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029105","7.122","0.004","17.744","0.008","17.582","0.008","90","","93.169","0.008","90","","2218.5","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-dichlorobis(2,5-diselenahexane)aluminium tetrachloroaluminate","","- C8 H20 Al2 Cl6 Se4 -","- C8 H20 Al2 Cl6 Se4 -","- C32 H80 Al8 Cl24 Se16 -","4","1","","George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian","Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3637","3648","10.1039/c3dt52991f","","","0.71073","MoKα","","0.0906","0.0766","","","0.1957","0.207","","","","","","1.137","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029106","6.205","0.004","12.603","0.008","10.479","0.006","90","","90","","90","","819.5","0.9","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","trichloro(dimethylselenide)aluminium","","- C2 H6 Al Cl3 Se -","- C2 H6 Al Cl3 Se -","- C8 H24 Al4 Cl12 Se4 -","4","0.5","","George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian","Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3637","3648","10.1039/c3dt52991f","","","0.71073","MoKα","","0.0426","0.0387","","","0.0927","0.0956","","","","","","1.128","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029107","16.131","0.007","8.31","0.003","24.976","0.011","90","","107.156","0.008","90","","3199","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-[(1,1,1-tris[(methylsulfanyl)methyl]ethane)-trichloroaluminium]","","- C16 H36 Al2 Cl6 S6 -","- C16 H36 Al2 Cl6 S6 -","- C64 H144 Al8 Cl24 S24 -","4","1","","George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian","Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3637","3648","10.1039/c3dt52991f","","","0.71073","MoKα","","0.1151","0.0929","","","0.2045","0.2207","","","","","","1.206","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029108","7.4218","0.0019","14.027","0.003","13.481","0.003","90","","94.415","0.006","90","","1399.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methyl-1,3-dihydro-2-benzoselenophenium tetrachloroaluminate","","- C9 H11 Al Cl4 Se -","- C9 H11 Al Cl4 Se -","- C36 H44 Al4 Cl16 Se4 -","4","1","","George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian","Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3637","3648","10.1039/c3dt52991f","","","0.71073","MoKα","","0.0432","0.0365","","","0.0786","0.082","","","","","","1.071","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029109","6.2476","0.0013","13.114","0.003","10.514","0.002","90","","90","","90","","861.4","0.3","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","[(Methyltellanyl)methane]trichloroaluminium(III)","","- C2 H6 Al Cl3 Te -","- C2 H6 Al Cl3 Te -","- C8 H24 Al4 Cl12 Te4 -","4","0.5","","George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian","Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3637","3648","10.1039/c3dt52991f","","","0.71073","MoKα","","0.0223","0.0183","","","0.0342","0.0353","","","","","","1.007","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029110","6.562","0.003","13.4","0.005","10.724","0.004","90","","90","","90","","943","0.7","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","[(Methyltellanyl)methane]tribromoaluminium(III)","","- C2 H6 Al Br3 Te -","- C2 H6 Al Br3 Te -","- C8 H24 Al4 Br12 Te4 -","4","0.5","","George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian","Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3637","3648","10.1039/c3dt52991f","","","0.71073","MoKα","","0.0684","0.0648","","","0.1633","0.1678","","","","","","1.092","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029111","14.825","0.003","12.181","0.002","15.15","0.004","90","","108.449","0.008","90","","2595.2","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,2-bis(methylthio)ethane)diiodoaluminium tetraiodoaluminate","","- C8 H20 Al2 I6 S4 -","- C8 H20 Al2 I6 S4 -","- C32 H80 Al8 I24 S16 -","4","1","","George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian","Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3637","3648","10.1039/c3dt52991f","","","0.71073","MoKα","","0.1353","0.0571","","","0.1063","0.1154","","","","","","0.799","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029112","10.0158","0.0011","12.5236","0.0015","14.0488","0.0015","113.209","0.008","90.417","0.006","105.465","0.007","1548.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,3-di-tert-butyl-3-[3-(tert-butyltellanyl)propyl]-1λ^4^,2,3-tritelluran-1-ium tetrachloroaluminate","","- C18 H39 Al Cl4 Te4 -","- C18 H39 Al Cl4 Te4 -","- C36 H78 Al2 Cl8 Te8 -","2","1","","George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian","Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3637","3648","10.1039/c3dt52991f","","","0.71073","MoKα","","0.1879","0.0829","","","0.1257","0.1615","","","","","","0.93","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029113","21.8492","0.0016","11.869","0.0009","26.0539","0.0019","90","","100.82","0.06","90","","6636.4","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 Al6 Cl18 S12 -","- C30 H60 Al6 Cl18 S12 -","- C120 H240 Al24 Cl72 S48 -","4","1","","George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian","Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3637","3648","10.1039/c3dt52991f","","","0.71073","MoKα","","0.305","0.1227","","","0.2363","0.3354","","","","","","1.015","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029114","8.4391","0.001","9.0867","0.0011","14.9595","0.0018","90","","90","","90","","1147.1","0.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Au Cl2 S3 -","- C6 H11 Au Cl2 S3 -","- C24 H44 Au4 Cl8 S12 -","4","1","","Janzen, D. E.; Kooyman, A. M.","Gold(iii) assisted C-H activation of 1,4,7-trithiacyclononane: synthesis and spontaneous resolution of a bicyclic chiral sulfonium salt.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3424","3427","10.1039/c3dt53545b","","","0.71075","MoKα","","","0.0251","","","","0.0512","","","","","","0.967","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029115","8.4404","0.0017","9.092","0.0018","14.985","0.003","90","","90","","90","","1150","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Au Cl2 S3 -","- C6 H11 Au Cl2 S3 -","- C24 H44 Au4 Cl8 S12 -","4","1","","Janzen, D. E.; Kooyman, A. M.","Gold(iii) assisted C-H activation of 1,4,7-trithiacyclononane: synthesis and spontaneous resolution of a bicyclic chiral sulfonium salt.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3424","3427","10.1039/c3dt53545b","","","0.71075","MoKα","","","0.0228","","","","0.0528","","","","","","1.06","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029116","8.8141","0.0008","15.9546","0.0015","19.374","0.0018","90","","90","","90","","2724.5","0.4","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H11 Au Cl4 S3 -","- C6 H11 Au Cl4 S3 -","- C48 H88 Au8 Cl32 S24 -","8","1","","Janzen, D. E.; Kooyman, A. M.","Gold(iii) assisted C-H activation of 1,4,7-trithiacyclononane: synthesis and spontaneous resolution of a bicyclic chiral sulfonium salt.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3424","3427","10.1039/c3dt53545b","","","0.71075","MoKα","","","0.0246","","","","0.0519","","","","","","1.094","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029117","15.358","0.002","7.756","0.0011","15.739","0.003","90","","116.071","0.009","90","","1684","0.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Au2 Cl6 S3 -","- C6 H12 Au2 Cl6 S3 -","- C24 H48 Au8 Cl24 S12 -","4","1","","Janzen, D. E.; Kooyman, A. M.","Gold(iii) assisted C-H activation of 1,4,7-trithiacyclononane: synthesis and spontaneous resolution of a bicyclic chiral sulfonium salt.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3424","3427","10.1039/c3dt53545b","","","0.71075","MoKα","","","0.0441","","","","0.1144","","","","","","1.041","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029118","12.4371","0.0015","9.82","0.001","15.924","0.0019","90","","97.565","0.012","90","","1927.9","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 N4 Ni O4 -","- C16 H26 N4 Ni O4 -","- C64 H104 N16 Ni4 O16 -","4","0.5","","Wellens, Sil; Brooks, Neil R.; Thijs, Ben; Meervelt, Luc Van; Binnemans, Koen","Carbene formation upon reactive dissolution of metal oxides in imidazolium ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3443","3452","10.1039/c3dt53024h","","","0.71073","MoKα","","0.1114","0.0632","","","0.1561","0.1954","","","","","","1.053","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029119","20.344","0.002","6.9249","0.0004","15.299","0.0017","90","","126.766","0.016","90","","1726.6","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Ag N7 -","- C14 H20 Ag N7 -","- C56 H80 Ag4 N28 -","4","0.5","","Wellens, Sil; Brooks, Neil R.; Thijs, Ben; Meervelt, Luc Van; Binnemans, Koen","Carbene formation upon reactive dissolution of metal oxides in imidazolium ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3443","3452","10.1039/c3dt53024h","","","0.71073","MoKα","","0.0635","0.036","","","0.0743","0.0901","","","","","","1.024","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029120","16.7075","0.0011","8.136","0.0005","13.3162","0.0008","90","","111.81","0.007","90","","1680.5","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 Ag N5 S -","- C13 H20 Ag N5 S -","- C52 H80 Ag4 N20 S4 -","4","0.5","","Wellens, Sil; Brooks, Neil R.; Thijs, Ben; Meervelt, Luc Van; Binnemans, Koen","Carbene formation upon reactive dissolution of metal oxides in imidazolium ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3443","3452","10.1039/c3dt53024h","","","0.71073","MoKα","","0.0315","0.0266","","","0.0573","0.06","","","","","","1.033","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029121","15.4432","0.0007","8.6443","0.0004","13.5597","0.0006","90","","108.45","0.005","90","","1717.12","0.14","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H23 Ag N4 O2 -","- C14 H23 Ag N4 O2 -","- C56 H92 Ag4 N16 O8 -","4","0.5","","Wellens, Sil; Brooks, Neil R.; Thijs, Ben; Meervelt, Luc Van; Binnemans, Koen","Carbene formation upon reactive dissolution of metal oxides in imidazolium ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3443","3452","10.1039/c3dt53024h","","","0.71073","MoKα","","0.0268","0.0237","","","0.061","0.0643","","","","","","1.074","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029122","20.089","0.007","12.811","0.005","22.725","0.008","90","","101.12","0.005","90","","5739","4","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","μ-dichlorobis{(hydrogenbis(diphenylphosphinito-K1P)(ethanoyl-K1C)rhodium(III)}","μ-dichlorobis{(hydrogenbis(diphenylphosphinito-K1P)(ethanoyl-K1C)rhodium(III)}","","- C61 H60 Cl2 O6 P4 Rh2 -","- C61 H60 Cl2 O6 P4 Rh2 -","- C244 H240 Cl8 O24 P16 Rh8 -","4","0.5","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Mixed anhydride complexes of rhodium(i) and ruthenium(ii) - their synthesis and ligand rearrangements.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3479","3491","10.1039/c3dt52552j","","","0.7107","MoKα","","0.0336","0.0318","","","0.0814","0.0836","","","","","","0.968","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029123","15.845","0.01","16.449","0.011","15.551","0.011","90","","100.535","0.01","90","","3985","5","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H43 Cl2 O4.5 P2 Ru -","- C39 H38 Cl2 O4.5 P2 Ru -","- C156 H152 Cl8 O18 P8 Ru4 -","4","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Mixed anhydride complexes of rhodium(i) and ruthenium(ii) - their synthesis and ligand rearrangements.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3479","3491","10.1039/c3dt52552j","","","0.7107","MoKα","","","0.0963","","","","0.2872","","","","","","1.105","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029124","10.05","0.01","12.387","0.012","14.637","0.013","108.245","0.008","99.075","0.015","103.842","0.006","1626","3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H53 Cl7 O6 P4 Ru2 -","- C55 H53 Cl7 O6 P4 Ru2 -","- C55 H53 Cl7 O6 P4 Ru2 -","1","0.5","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Mixed anhydride complexes of rhodium(i) and ruthenium(ii) - their synthesis and ligand rearrangements.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3479","3491","10.1039/c3dt52552j","","","0.7107","MoKα","","","0.1329","","","","0.3875","","","","","","1.453","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029125","23.139","0.004","11.654","0.002","23.57","0.005","90","","109.147","0.004","90","","6004.3","1.9","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Chloro(propanoyl-(3,3',5,5'-tetra-tert-butyl-1,1'-biphenyl- 2,2'-diyl)phosphite)bis(triphenylphosphine)rhodium(I)","Chloro(propanoyl-(3,3',5,5'-tetra-tert-butyl-1,1'-biphenyl- 2,2'-diyl)phosphite)bis(triphenylphosphine)rhodium(I)","","- C67 H75 Cl O4 P3 Rh -","- C67 H75 Cl O4 P3 Rh -","- C268 H300 Cl4 O16 P12 Rh4 -","4","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Mixed anhydride complexes of rhodium(i) and ruthenium(ii) - their synthesis and ligand rearrangements.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3479","3491","10.1039/c3dt52552j","","","0.71075","MoKα","","0.1818","0.1326","","","0.289","0.334","","","","","","1.274","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029126","12.273","0.004","14.006","0.003","20.777","0.006","93.707","0.008","91.581","0.006","93.876","0.01","3554","1.7","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H77 Cl9 O4 P3 Rh -","- C72 H75 Cl9 O4 P3 Rh -","- C144 H150 Cl18 O8 P6 Rh2 -","2","1","","Coetzee, Jacorien; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J","Mixed anhydride complexes of rhodium(i) and ruthenium(ii) - their synthesis and ligand rearrangements.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3479","3491","10.1039/c3dt52552j","","","0.71075","MoKα","","","0.0971","","","","0.2744","","","","","","0.956","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029127","8.1908","0.0009","9.9971","0.0011","18.358","0.002","78.025","0.001","79.554","0.002","83.196","0.002","1441","0.3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H52 Br4 Mn2 N12 Ni O4 S4 -","- C52 H52 Br4 Mn2 N12 Ni O4 S4 -","- C52 H52 Br4 Mn2 N12 Ni O4 S4 -","1","0.5","","Chen, Ying; Cao, Fan; Wei, Rong-Min; Zhang, Yang; Zhang, Yi-Quan; Song, You","Spin-crossover phenomena of the mononuclear Mn(III) complex tuned by metal dithiolene counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3783","3791","10.1039/c3dt53173b","","","0.71073","MoKα","","0.045","0.035","","","0.1081","0.1329","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029128","8.1643","0.0019","10.013","0.002","18.323","0.004","78.223","0.003","79.349","0.004","83.348","0.004","1436.3","0.5","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H52 Br4 Mn2 N12 O4 Pt S4 -","- C52 H52 Br4 Mn2 N12 O4 Pt S4 -","- C52 H52 Br4 Mn2 N12 O4 Pt S4 -","1","0.5","","Chen, Ying; Cao, Fan; Wei, Rong-Min; Zhang, Yang; Zhang, Yi-Quan; Song, You","Spin-crossover phenomena of the mononuclear Mn(III) complex tuned by metal dithiolene counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3783","3791","10.1039/c3dt53173b","","","0.71073","MoKα","","0.0572","0.0389","","","0.1047","0.1463","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029129","10.906","0.0009","12.1826","0.001","16.1265","0.0013","94.234","0.001","104.183","0.001","92.672","0.002","2067","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H29 Br2 Mn N5 Ni O2 S10 -","- C30 H29 Br2 Mn N5 Ni O2 S10 -","- C60 H58 Br4 Mn2 N10 Ni2 O4 S20 -","2","1","","Chen, Ying; Cao, Fan; Wei, Rong-Min; Zhang, Yang; Zhang, Yi-Quan; Song, You","Spin-crossover phenomena of the mononuclear Mn(III) complex tuned by metal dithiolene counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3783","3791","10.1039/c3dt53173b","","","0.71073","MoKα","","0.0543","0.0364","","","0.0857","0.093","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029130","8.2849","0.0005","10.0345","0.0006","18.4775","0.001","78.354","0.001","79.26","0.001","84.209","0.001","1474.95","0.15","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H52 Br4 Mn2 N12 Ni O4 S4 -","- C52 H52 Br4 Mn2 N12 Ni O4 S4 -","- C52 H52 Br4 Mn2 N12 Ni O4 S4 -","1","0.5","","Chen, Ying; Cao, Fan; Wei, Rong-Min; Zhang, Yang; Zhang, Yi-Quan; Song, You","Spin-crossover phenomena of the mononuclear Mn(III) complex tuned by metal dithiolene counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3783","3791","10.1039/c3dt53173b","","","0.71073","MoKα","","0.0689","0.0424","","","0.113","0.1387","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029131","8.308","0.002","10.025","0.002","18.528","0.005","78.414","0.004","79.045","0.004","84.969","0.004","1482.2","0.6","350","2","350","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H52 Br4 Mn2 N12 Ni O4 S4 -","- C52 H52 Br4 Mn2 N12 Ni O4 S4 -","- C52 H52 Br4 Mn2 N12 Ni O4 S4 -","1","0.5","","Chen, Ying; Cao, Fan; Wei, Rong-Min; Zhang, Yang; Zhang, Yi-Quan; Song, You","Spin-crossover phenomena of the mononuclear Mn(III) complex tuned by metal dithiolene counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3783","3791","10.1039/c3dt53173b","","","0.71073","MoKα","","0.0824","0.0509","","","0.1416","0.1777","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029132","8.3414","0.0015","10.0287","0.0018","18.604","0.003","78.537","0.003","78.887","0.003","85.589","0.003","1495.4","0.5","400","2","400","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H52 Br4 Mn2 N12 Ni O4 S4 -","- C52 H52 Br4 Mn2 N12 Ni O4 S4 -","- C52 H52 Br4 Mn2 N12 Ni O4 S4 -","1","0.5","","Chen, Ying; Cao, Fan; Wei, Rong-Min; Zhang, Yang; Zhang, Yi-Quan; Song, You","Spin-crossover phenomena of the mononuclear Mn(III) complex tuned by metal dithiolene counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3783","3791","10.1039/c3dt53173b","","","0.71073","MoKα","","0.0873","0.0524","","","0.1228","0.1352","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029133","8.381","0.003","10.044","0.003","18.692","0.006","78.624","0.006","78.75","0.006","86.181","0.006","1512.3","0.9","473","2","473","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H52 Br4 Mn2 N12 Ni O4 S4 -","- C52 H52 Br4 Mn2 N12 Ni O4 S4 -","- C52 H52 Br4 Mn2 N12 Ni O4 S4 -","1","0.5","","Chen, Ying; Cao, Fan; Wei, Rong-Min; Zhang, Yang; Zhang, Yi-Quan; Song, You","Spin-crossover phenomena of the mononuclear Mn(III) complex tuned by metal dithiolene counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3783","3791","10.1039/c3dt53173b","","","0.71073","MoKα","","0.1222","0.0537","","","0.1086","0.1348","","","","","","0.997","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029134","8.2697","0.0004","10.0679","0.0005","18.4929","0.001","78.603","0.001","79.101","0.001","84.288","0.001","1479.01","0.13","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H52 Br4 Mn2 N12 O4 Pt S4 -","- C52 H52 Br4 Mn2 N12 O4 Pt S4 -","- C52 H52 Br4 Mn2 N12 O4 Pt S4 -","1","0.5","","Chen, Ying; Cao, Fan; Wei, Rong-Min; Zhang, Yang; Zhang, Yi-Quan; Song, You","Spin-crossover phenomena of the mononuclear Mn(III) complex tuned by metal dithiolene counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3783","3791","10.1039/c3dt53173b","","","0.71073","MoKα","","0.0505","0.0355","","","0.0794","0.0971","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029135","8.2884","0.0016","10.0517","0.0019","18.518","0.004","78.811","0.003","79","0.003","84.998","0.003","1483.6","0.5","350","2","350","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H52 Br4 Mn2 N12 O4 Pt S4 -","- C52 H52 Br4 Mn2 N12 O4 Pt S4 -","- C52 H52 Br4 Mn2 N12 O4 Pt S4 -","1","0.5","","Chen, Ying; Cao, Fan; Wei, Rong-Min; Zhang, Yang; Zhang, Yi-Quan; Song, You","Spin-crossover phenomena of the mononuclear Mn(III) complex tuned by metal dithiolene counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3783","3791","10.1039/c3dt53173b","","","0.71073","MoKα","","0.0502","0.0359","","","0.1031","0.1369","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029136","8.3184","0.0011","10.0509","0.0013","18.595","0.002","78.835","0.002","78.768","0.002","85.63","0.002","1494.8","0.3","400","2","400","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H52 Br4 Mn2 N12 O4 Pt S4 -","- C52 H52 Br4 Mn2 N12 O4 Pt S4 -","- C52 H52 Br4 Mn2 N12 O4 Pt S4 -","1","0.5","","Chen, Ying; Cao, Fan; Wei, Rong-Min; Zhang, Yang; Zhang, Yi-Quan; Song, You","Spin-crossover phenomena of the mononuclear Mn(III) complex tuned by metal dithiolene counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3783","3791","10.1039/c3dt53173b","","","0.71073","MoKα","","0.0685","0.0417","","","0.1204","0.1647","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029137","8.356","0.002","10.057","0.003","18.676","0.005","78.942","0.004","78.639","0.004","86.212","0.004","1509.5","0.7","473","2","473","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H52 Br4 Mn2 N12 O4 Pt S4 -","- C52 H52 Br4 Mn2 N12 O4 Pt S4 -","- C52 H52 Br4 Mn2 N12 O4 Pt S4 -","1","0.5","","Chen, Ying; Cao, Fan; Wei, Rong-Min; Zhang, Yang; Zhang, Yi-Quan; Song, You","Spin-crossover phenomena of the mononuclear Mn(III) complex tuned by metal dithiolene counteranions.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3783","3791","10.1039/c3dt53173b","","","0.71073","MoKα","","0.1042","0.0536","","","0.1255","0.1393","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029138","20.3608","0.0013","20.3608","0.0013","20.3608","0.0013","90","","90","","90","","8440.8","0.9","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C13 H18 Fe I P -","- C13 H18 Fe I P -","- C312 H432 Fe24 I24 P24 -","24","1","","Kübler, Paul; Sundermeyer, Jörg","Ferrocenyl-phosphonium ionic liquids - synthesis, characterisation and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3750","3766","10.1039/c3dt53402b","","","0.71073","MoKα","","0.1088","0.0297","","","0.032","0.0418","","","","","","0.475","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029139","10.6934","0.0003","14.4249","0.0006","20.1051","0.0007","90","","97.508","0.003","90","","3074.65","0.19","373","2","373","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 F6 Fe N O4 P S2 -","- C24 H36 F6 Fe N O4 P S2 -","- C96 H144 F24 Fe4 N4 O16 P4 S8 -","4","1","","Kübler, Paul; Sundermeyer, Jörg","Ferrocenyl-phosphonium ionic liquids - synthesis, characterisation and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3750","3766","10.1039/c3dt53402b","","","0.71073","MoKα","","0.0807","0.0522","","","0.1194","0.13","","","","","","0.84","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029140","7.5161","0.0006","7.5161","0.0006","29.023","0.002","90","","90","","90","","1639.6","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","Kuwar 1948","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","0.5","","Tayade, Kundan; Gallucci, Judith; Sharma, Hemant; Attarde, Sanjay; Patil, Rahul; Singh, Narinder; Kuwar, Anil","Exploration of selective recognition of iodide with dipodal sensor: 2,2'-[ethane-1,2-diylbis(iminoethane-1,1-diyl)]diphenol.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3584","3588","10.1039/c3dt52690a","","x-ray","0.71073","MoKα","","0.0807","0.059","","","0.1365","0.1539","","","","","","1.041","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029141","10.2192","0.0004","13.8275","0.0006","14.719","0.0006","105.817","0.002","93.474","0.002","101.154","0.002","1949.13","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H45 Cl N2 O2 P2 Ru -","- C45 H45 Cl N2 O2 P2 Ru -","- C90 H90 Cl2 N4 O4 P4 Ru2 -","2","1","","Dahcheh, Fatme; Stephan, Douglas W.","Reactions of ruthenium hydrides with ethyl-vinyl sulfide.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3501","3507","10.1039/c3dt53326c","","","0.71073","MoKα","","0.0748","0.042","","","0.0798","0.0901","","","","","","1.008","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029142","13.009","0.003","18.484","0.004","20.315","0.005","90","","104.49","0.012","90","","4729.5","1.9","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52.5 H58 Cl N2 O2 P2 Ru -","- C52.5 H58 Cl N2 O2 P2 Ru -","- C210 H232 Cl4 N8 O8 P8 Ru4 -","4","1","","Dahcheh, Fatme; Stephan, Douglas W.","Reactions of ruthenium hydrides with ethyl-vinyl sulfide.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3501","3507","10.1039/c3dt53326c","","","0.71073","MoKα","","0.0657","0.0505","","","0.1364","0.1463","","","","","","1.068","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029143","9.986","0.0006","19.2471","0.0012","24.3594","0.0016","90","","90.793","0.002","90","","4681.5","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H54 Cl3 N4 O2 P Ru -","- C48 H54 Cl3 N4 O2 P Ru -","- C192 H216 Cl12 N16 O8 P4 Ru4 -","4","2","","Dahcheh, Fatme; Stephan, Douglas W.","Reactions of ruthenium hydrides with ethyl-vinyl sulfide.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3501","3507","10.1039/c3dt53326c","","","0.71073","MoKα","","0.1042","0.046","","","0.0531","0.0656","","","","","","0.662","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029144","34.768","0.005","14.8467","0.0017","21.575","0.004","90","","128.344","0.009","90","","8735","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H53 Cl N4 O P Ru -","- C50 H53 Cl N4 O P Ru -","- C400 H424 Cl8 N32 O8 P8 Ru8 -","8","1","","Dahcheh, Fatme; Stephan, Douglas W.","Reactions of ruthenium hydrides with ethyl-vinyl sulfide.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3501","3507","10.1039/c3dt53326c","","","0.71073","MoKα","","0.0655","0.0384","","","0.0794","0.0903","","","","","","1.013","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029145","21.7335","0.0012","14.924","0.0006","26.9039","0.0013","90","","90.324","0.004","90","","8726.2","0.7","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C50 H55 Cl N4 O P Ru -","- C50 H55 Cl N4 O P Ru -","- C400 H440 Cl8 N32 O8 P8 Ru8 -","8","1","","Dahcheh, Fatme; Stephan, Douglas W.","Reactions of ruthenium hydrides with ethyl-vinyl sulfide.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3501","3507","10.1039/c3dt53326c","","","0.71073","MoKα","","0.0587","0.0363","","","0.0803","0.0906","","","","","","1.015","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029146","16.6504","0.0016","16.6504","0.0016","14.521","0.003","90","","90","","120","","3486.4","0.9","293","2","293","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C54 H30 O26 Zn3 -","- C54 H30 O26 Zn3 -","- C108 H60 O52 Zn6 -","2","0.166667","","He, Hongming; Sun, Fuxing; Borjigin, Tsolmon; Zhao, Nian; Zhu, Guangshan","Tunable colors and white-light emission based on a microporous luminescent Zn(ii)-MOF.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3716","3721","10.1039/c3dt53013b","","","0.71073","MoKα","","0.0792","0.0658","","","0.2014","0.2227","","","","","","1.101","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029147","14.9927","0.0017","17.2321","0.0016","24.798","0.003","90","","90","","90","","6406.7","1.2","170","2","170","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C29 H16 Ni2 O14 -","- C29 H16 Ni2 O14 -","- C116 H64 Ni8 O56 -","4","0.5","","Almáši, Miroslav; Zeleňák, Vladimír; Opanasenko, Maksym; Cejka, Jíří","A novel nickel metal-organic framework with fluorite-like structure: gas adsorption properties and catalytic activity in Knoevenagel condensation.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3730","3738","10.1039/c3dt52698d","","","0.71073","MoKα","","0.1365","0.0863","","","0.2356","0.2556","","","","","","0.899","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029148","19.089","0.005","15.026","0.005","21.23","0.005","90","0.005","95.527","0.005","90","0.005","6061","3","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C54 H39 Cl2 N11 O8 Ru -","- C54 H39 Cl2 N11 O8 Ru -","- C216 H156 Cl8 N44 O32 Ru4 -","4","1","","Das, Shyamal; Karmakar, Srikanta; Mardanya, Sourav; Baitalik, Sujoy","Synthesis, structural characterization, and multichannel anion and cation sensing studies of a bifunctional Ru(ii) polypyridyl-imidazole based receptor.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3767","3782","10.1039/c3dt52424h","","","0.71073","MoKα","","0.1137","0.082","","","0.2152","0.2312","","","","","","1.018","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029149","9.6883","0.0002","24.4093","0.0005","27.7995","0.0006","90","","100.027","0.001","90","","6473.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(tBuClip)Mo(3,5-tBu2Cat) . 1.5 C6H6","(4,4'-Di-tert-butylbiphenyl-2,2'-bis((2-oxy- 3,5-di-tert-butylphenyl)amido)-(3,5-di-tert-butylphenylcatecholato)- molybdenum(VI) sesquibenzene solvate","","- C71 H93 Mo N2 O4 -","- C71 H93 Mo N2 O4 -","- C284 H372 Mo4 N8 O16 -","4","1","","Shekar, Sukesh; Brown, Seth N.","Mixed amidophenolate-catecholates of molybdenum(vi).","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3601","3611","10.1039/c3dt53496k","","","1.54178","CuKα","","0.045","0.0389","","","0.0958","0.1","","","","","","1.03","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029150","14.429","0.003","14.825","0.003","25.227","0.005","90.224","0.005","103.562","0.005","118.13","0.005","4584.8","1.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(tBuClip)Mo2(O)(Cat)3 . 1.5 C6H6","(4,4'-Di-tert-butylbiphenyl-2,2'-bis((2-oxy- 3,5-di-tert-butylphenyl)amido)-μ-bis(3,5-di-tert-butylcatecholato)- molybdenum(VI)-(3,5-di-tert-butylcatecholato)(oxo)molybdenum(VI) sesquibenzene solvate","","- C99 H133 Mo2 N2 O9 -","- C99 H133 Mo2 N2 O9 -","- C198 H266 Mo4 N4 O18 -","2","1","","Shekar, Sukesh; Brown, Seth N.","Mixed amidophenolate-catecholates of molybdenum(vi).","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3601","3611","10.1039/c3dt53496k","","","0.71073","MoKα","","0.1146","0.0543","","","0.0973","0.1176","","","","","","0.969","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029151","11.7617","0.0003","16.6561","0.0004","16.5304","0.0004","90","","90.3779","0.0011","90","","3238.3","0.14","119","2","119","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(3,5tBuCat)4Mo2O2 . 2 C6H6","Tetrakis(3,5-di-tert-butylcatecholato)dioxodimolybedenum(VI) di-benzene solvate","","- C68 H92 Mo2 O10 -","- C68 H92 Mo2 O10 -","- C136 H184 Mo4 O20 -","2","0.5","","Shekar, Sukesh; Brown, Seth N.","Mixed amidophenolate-catecholates of molybdenum(vi).","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3601","3611","10.1039/c3dt53496k","","","0.71073","MoKα","","0.0252","0.0222","","","0.0561","0.0581","","","","","","1.029","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029152","13.69","0.003","7.4779","0.0015","21.285","0.007","90","","116.04","0.02","90","","1957.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Dy N O11 -","- C18 H22 Dy N O11 -","- C72 H88 Dy4 N4 O44 -","4","1","","Wang, Shu-Ju; Tian, Yan-Wen; You, Li-Xin; Ding, Fu; Meert, Katrien W.; Poelman, Dirk; Smet, Philippe F.; Ren, Bao-Yi; Sun, Ya-Guang","Solvent-regulated assemblies of 1D lanthanide coordination polymers with the tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3462","3470","10.1039/c3dt52839a","","","0.71073","MoKα","","0.0251","0.0217","","","0.0561","0.0571","","","","","","1.006","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029153","13.694","0.003","7.577","0.0015","21.438","0.007","90","","116.27","0.02","90","","1994.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Eu N O11 -","- C18 H22 Eu N O11 -","- C72 H88 Eu4 N4 O44 -","4","1","","Wang, Shu-Ju; Tian, Yan-Wen; You, Li-Xin; Ding, Fu; Meert, Katrien W.; Poelman, Dirk; Smet, Philippe F.; Ren, Bao-Yi; Sun, Ya-Guang","Solvent-regulated assemblies of 1D lanthanide coordination polymers with the tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3462","3470","10.1039/c3dt52839a","","","0.71073","MoKα","","0.0456","0.038","","","0.092","0.0972","","","","","","1.112","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029154","13.683","0.003","7.6057","0.0015","21.533","0.007","90","","116.22","0.02","90","","2010.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Gd N O11 -","- C18 H22 Gd N O11 -","- C72 H88 Gd4 N4 O44 -","4","1","","Wang, Shu-Ju; Tian, Yan-Wen; You, Li-Xin; Ding, Fu; Meert, Katrien W.; Poelman, Dirk; Smet, Philippe F.; Ren, Bao-Yi; Sun, Ya-Guang","Solvent-regulated assemblies of 1D lanthanide coordination polymers with the tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3462","3470","10.1039/c3dt52839a","","","0.71073","MoKα","","0.0516","0.0417","","","0.1023","0.1096","","","","","","1.103","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029155","27.216","0.007","7.535","0.0018","21.379","0.005","90","","115.32","0.003","90","","3963.1","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 La O14 -","- C15 H23 La O14 -","- C120 H184 La8 O112 -","8","1","","Wang, Shu-Ju; Tian, Yan-Wen; You, Li-Xin; Ding, Fu; Meert, Katrien W.; Poelman, Dirk; Smet, Philippe F.; Ren, Bao-Yi; Sun, Ya-Guang","Solvent-regulated assemblies of 1D lanthanide coordination polymers with the tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3462","3470","10.1039/c3dt52839a","","","0.71073","MoKα","","0.0287","0.0257","","","0.0704","0.0713","","","","","","1.082","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029156","27.27","0.005","7.6022","0.0015","21.167","0.004","90","","115.12","0.03","90","","3973.1","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 Nd O12.75 -","- C15 H19 Nd O12.75 -","- C120 H152 Nd8 O102 -","8","1","","Wang, Shu-Ju; Tian, Yan-Wen; You, Li-Xin; Ding, Fu; Meert, Katrien W.; Poelman, Dirk; Smet, Philippe F.; Ren, Bao-Yi; Sun, Ya-Guang","Solvent-regulated assemblies of 1D lanthanide coordination polymers with the tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3462","3470","10.1039/c3dt52839a","","","0.71073","MoKα","","0.0711","0.0589","","","0.1395","0.1522","","","","","","1.091","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029157","27.185","0.005","7.5951","0.0015","21.26","0.004","90","","114.93","0.03","90","","3980.6","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H42 O27 Pr2 -","- C30 H42 O27 Pr2 -","- C120 H168 O108 Pr8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; You, Li-Xin; Ding, Fu; Meert, Katrien W.; Poelman, Dirk; Smet, Philippe F.; Ren, Bao-Yi; Sun, Ya-Guang","Solvent-regulated assemblies of 1D lanthanide coordination polymers with the tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3462","3470","10.1039/c3dt52839a","","","0.71073","MoKα","","0.0318","0.0286","","","0.0763","0.0779","","","","","","1.138","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029158","27.284","0.005","7.4955","0.0015","20.849","0.004","90","","115.02","0.03","90","","3863.7","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 O23 Sm2 -","- C30 H37 O23 Sm2 -","- C120 H148 O92 Sm8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; You, Li-Xin; Ding, Fu; Meert, Katrien W.; Poelman, Dirk; Smet, Philippe F.; Ren, Bao-Yi; Sun, Ya-Guang","Solvent-regulated assemblies of 1D lanthanide coordination polymers with the tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3462","3470","10.1039/c3dt52839a","","","0.71073","MoKα","","0.0606","0.049","","","0.1247","0.132","","","","","","1.067","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029159","13.75","0.003","7.6108","0.0015","21.492","0.007","90","","116.07","0.02","90","","2020.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N O11 Tb -","- C18 H22 N O11 Tb -","- C72 H88 N4 O44 Tb4 -","4","1","","Wang, Shu-Ju; Tian, Yan-Wen; You, Li-Xin; Ding, Fu; Meert, Katrien W.; Poelman, Dirk; Smet, Philippe F.; Ren, Bao-Yi; Sun, Ya-Guang","Solvent-regulated assemblies of 1D lanthanide coordination polymers with the tricarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3462","3470","10.1039/c3dt52839a","","","0.71073","MoKα","","0.0305","0.0278","","","0.0681","0.0701","","","","","","1.069","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029160","7.6423","0.0004","24.3583","0.0015","6.3921","0.0004","90","","90","","90","","1189.91","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H12 Cu N2 O6 -","- C10 H12 Cu N2 O6 -","- C40 H48 Cu4 N8 O24 -","4","1","","Thio, Yude; Yang, Xiandong; Vittal, Jagadese J.","Influence of inductive effects and steric encumbrance on the catecholase activities of copper(ii) complexes of reduced Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3545","3556","10.1039/c3dt52829d","","","0.71073","MoKα","","0.0297","0.0265","","","0.0598","0.0607","","","","","","1.07","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029161","13.8398","0.0015","7.2308","0.0008","13.9096","0.0016","90","","118.406","0.003","90","","1224.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H30 Cu2 N2 O10 -","- C22 H30 Cu2 N2 O10 -","- C44 H60 Cu4 N4 O20 -","2","1","","Thio, Yude; Yang, Xiandong; Vittal, Jagadese J.","Influence of inductive effects and steric encumbrance on the catecholase activities of copper(ii) complexes of reduced Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3545","3556","10.1039/c3dt52829d","","","0.71073","MoKα","","0.0279","0.023","","","0.0527","0.0541","","","","","","1.067","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029162","13.1237","0.0009","7.2533","0.0005","13.6424","0.001","90","","117.042","0.001","90","","1156.65","0.14","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl2 Cu2 N2 O8 -","- C20 H24 Cl2 Cu2 N2 O8 -","- C40 H48 Cl4 Cu4 N4 O16 -","2","1","","Thio, Yude; Yang, Xiandong; Vittal, Jagadese J.","Influence of inductive effects and steric encumbrance on the catecholase activities of copper(ii) complexes of reduced Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3545","3556","10.1039/c3dt52829d","","","0.71073","MoKα","","0.0774","0.0514","","","0.0906","0.1001","","","","","","1.006","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029163","13.1442","0.0016","7.2517","0.0009","13.7162","0.0017","90","","117.64","0.004","90","","1158.2","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Br2 Cu2 N2 O8 -","- C20 H24 Br2 Cu2 N2 O8 -","- C40 H48 Br4 Cu4 N4 O16 -","2","1","","Thio, Yude; Yang, Xiandong; Vittal, Jagadese J.","Influence of inductive effects and steric encumbrance on the catecholase activities of copper(ii) complexes of reduced Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3545","3556","10.1039/c3dt52829d","","","0.71073","MoKα","","0.023","0.0219","","","0.0565","0.0571","","","","","","1.014","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029164","13.093","0.003","6.9457","0.0015","14.027","0.003","90","","99.983","0.004","90","","1256.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Br2 Cu2 N2 O10 -","- C20 H28 Br2 Cu2 N2 O10 -","- C40 H56 Br4 Cu4 N4 O20 -","2","0.5","","Thio, Yude; Yang, Xiandong; Vittal, Jagadese J.","Influence of inductive effects and steric encumbrance on the catecholase activities of copper(ii) complexes of reduced Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3545","3556","10.1039/c3dt52829d","","","0.71073","MoKα","","0.0794","0.0621","","","0.1415","0.1477","","","","","","1.131","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029165","10.1311","0.0004","12.0085","0.0006","26.9697","0.0013","90","","90","","90","","3281.1","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 Br2 Cu2 N2 O8.25 S -","- C26 H36 Br2 Cu2 N2 O8.25 S -","- C104 H144 Br8 Cu8 N8 O33 S4 -","4","1","","Thio, Yude; Yang, Xiandong; Vittal, Jagadese J.","Influence of inductive effects and steric encumbrance on the catecholase activities of copper(ii) complexes of reduced Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3545","3556","10.1039/c3dt52829d","","","0.71073","MoKα","","0.0409","0.0307","","","0.0647","0.0677","","","","","","1.044","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029166","10.3703","0.001","11.8761","0.0011","26.984","0.003","90","","90","","90","","3323.3","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 Br2 Cu2 N2 O8 S -","- C28 H40 Br2 Cu2 N2 O8 S -","- C112 H160 Br8 Cu8 N8 O32 S4 -","4","1","","Thio, Yude; Yang, Xiandong; Vittal, Jagadese J.","Influence of inductive effects and steric encumbrance on the catecholase activities of copper(ii) complexes of reduced Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3545","3556","10.1039/c3dt52829d","","","0.71073","MoKα","","0.0339","0.029","","","0.0636","0.0653","","","","","","1.048","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029167","18.8962","0.0003","18.8962","0.0003","16.0089","0.0006","90","","90","","90","","5716.2","0.2","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C118 H102 N14 O28 Ti10 -","- C118 H102 N14 O28 Ti10 -","- C236 H204 N28 O56 Ti20 -","2","0.25","","Chaumont, Clément; Mobian, Pierre; Henry, Marc","An unprecedented high nuclearity catecholato-based Ti(iv)-architecture bearing labile pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3416","3419","10.1039/c3dt53424c","","","0.71073","MoKα","","0.0638","0.0388","","","0.0646","0.067","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029168","18.762","0.009","33.289","0.014","10.152","0.005","90","","90","","90","","6341","5","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","trifluorooxidobis(triphenylphosphineoxide)niobium(V)","","- C36 H30 F3 Nb O3 P2 -","- C36 H30 F3 Nb O3 P2 -","- C288 H240 F24 Nb8 O24 P16 -","8","0.5","","Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian","Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3649","3659","10.1039/c3dt53322k","","","0.71073","MoKα","","0.0888","0.0719","","","0.1062","0.1148","","","","","","1.079","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029169","7.889","0.0015","14.584","0.003","20.046","0.004","102.497","0.004","99.803","0.004","97.324","0.002","2186.2","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C6.33 H18.67 Cl0.67 F3 Nb O3 P2 -","- C6.33333 H18.6667 Cl0.666667 F3 Nb O3 P2 -","- C38 H112 Cl4 F18 Nb6 O18 P12 -","6","3","","Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian","Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3649","3659","10.1039/c3dt53322k","","","0.71073","MoKα","","0.043","0.0359","","","0.0847","0.088","","","","","","1.057","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7029170","10.752","0.002","14.367","0.003","18.048","0.004","90","","92.519","0.008","90","","2785.3","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trichloro(ethane-1,2-diylbis(diphenylphosphane) dioxide)oxidoniobium(V) acetonitrile solvate","","- C27 H25.5 Cl3 N0.5 Nb O3 P2 -","- C27 H25.5 Cl3 N0.5 Nb O3 P2 -","- C108 H102 Cl12 N2 Nb4 O12 P8 -","4","1","","Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian","Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3649","3659","10.1039/c3dt53322k","","","0.71073","MoKα","","0.0721","0.0591","","","0.0921","0.0968","","","","","","1.16","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029171","10.694","0.003","15.64","0.004","17.181","0.005","90","","105.721","0.006","90","","2766.1","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trichloro(methanediylbis(diphenylphosphane) dioxide)oxidoniobium(V) acetonitrile solvate","","- C25.6 H22.9 Cl3 N0.3 Nb O3 P2 -","- C25.6 H22.9 Cl3 N0.3 Nb O3 P2 -","- C102.4 H91.6 Cl12 N1.2 Nb4 O12 P8 -","4","1","","Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian","Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3649","3659","10.1039/c3dt53322k","","","0.71073","MoKα","","0.0742","0.0514","","","0.0946","0.1045","","","","","","1.066","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029172","14.352","0.007","7.368","0.004","11.781","0.006","90","","90","","90","","1245.8","1.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","trichloro(N,N,N',N'-tetramethylethane-1,2-diamine)oxidoniobium(V)","","- C6 H16 Cl3 N2 Nb O -","- C6 H16 Cl3 N2 Nb O -","- C24 H64 Cl12 N8 Nb4 O4 -","4","1","","Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian","Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3649","3659","10.1039/c3dt53322k","","","0.71073","MoKα","","0.0521","0.0449","","","0.1102","0.1162","","","","","","1.037","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029173","12.4975","0.0004","21.6322","0.0009","29.09","0.002","90","","90","","90","","7864.4","0.7","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","2,2'-bipyridyl-trifluorooxidoniobium(V)","","- C10 H8 Cl3 N2 Nb O -","- C10 H8 Cl3 N2 Nb O -","- C240 H192 Cl72 N48 Nb24 O24 -","24","1.5","","Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian","Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3649","3659","10.1039/c3dt53322k","","","0.71073","MoKα","","0.0506","0.0469","","","0.1169","0.1204","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029174","13.154","0.008","10.967","0.006","17.248","0.01","90","","97.173","0.019","90","","2469","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trifluoro-(bis(diphenylphosphino)methane dioxide)-oxidoniobium(V)","","- C25 H22 F3 Nb O3 P2 -","- C25 H22 F3 Nb O3 P2 -","- C100 H88 F12 Nb4 O12 P8 -","4","1","","Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian","Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3649","3659","10.1039/c3dt53322k","","","0.71073","MoKα","","0.0982","0.077","","","0.1725","0.1854","","","","","","1.132","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029175","9.9479","0.0015","16.788","0.002","16.968","0.003","90","","95.576","0.003","90","","2820.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(1,4,7-trimethyl-1-azonia-4,7-diazacyclononane) pentachlorooxidoniobate(V)","","- C18 H44 Cl5 N6 Nb O -","- C18 H44 Cl5 N6 Nb O -","- C72 H176 Cl20 N24 Nb4 O4 -","4","1","","Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian","Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3649","3659","10.1039/c3dt53322k","","","0.71073","MoKα","","0.0489","0.037","","","0.0701","0.0739","","","","","","0.946","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029176","11.699","0.003","12.948","0.003","15.679","0.004","100.882","0.006","91.372","0.007","106.539","0.007","2228.2","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H92 Cd4 N12 O28 -","- C68 H56 Cd4 N8 O20 -","- C68 H56 Cd4 N8 O20 -","1","0.5","","Yi, Xiu-Chun; Huang, Meng-Xuan; Qi, Yan; Gao, En-Qing","Synthesis, structure, luminescence and catalytic properties of cadmium(ii) coordination polymers with 9H-carbazole-2,7-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3691","3697","10.1039/c3dt53109k","","","0.71073","MoKα","","0.0759","0.0553","","","0.1443","0.159","","","","","","1.2","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029177","22.115","0.014","22.212","0.014","22.5","0.02","107.732","0.011","107.417","0.011","101.832","0.008","9496","12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H63 Cd3 N7 O25 -","- C56 H28 Cd3 N4 O16 -","- C224 H112 Cd12 N16 O64 -","4","2","","Yi, Xiu-Chun; Huang, Meng-Xuan; Qi, Yan; Gao, En-Qing","Synthesis, structure, luminescence and catalytic properties of cadmium(ii) coordination polymers with 9H-carbazole-2,7-dicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3691","3697","10.1039/c3dt53109k","","","0.71073","MoKα","","0.0947","0.0474","","","0.1047","0.116","","","","","","0.799","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029178","25.7533","0.0012","15.5665","0.0007","31.1574","0.0014","90","","101.964","0.001","90","","12219.3","1","416","2","416","2","","","","","","","synthesis as described","7","C 1 2/n 1","-C 2yac","15","","","","- C117 H132.25 Cl0 Ir2 N19.75 O0.75 Ru -","- C116.892 H132.344 Ir2 N19.834 O0.806 Ru -","- C467.568 H529.376 Ir8 N79.336 O3.224 Ru4 -","4","0.5","","Sandroni, Martina; Zysman-Colman, Eli","Exploring energy transfer in luminescent heterometallic ruthenium-iridium ion pairs.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3676","3680","10.1039/c3dt53170h","","x-ray","1.54178","CuKα","","0.0801","0.0745","","","0.2077","0.2127","","","","","","1.08","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029179","9.766","0.003","14.521","0.004","12.972","0.003","90","","98.868","0.005","90","","1817.6","0.9","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br N2 O4 Re S2 -","- C15 H10 Br N2 O4 Re S2 -","- C60 H40 Br4 N8 O16 Re4 S8 -","4","1","","Huang, Shih-Huang; Nesterov, Vladimir N.; Richmond, Michael G.","New azido-substituted tantalum compounds: syntheses and DFT examination of nitrogen-rich mono-, di-, and trinuclear tantalum(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3453","3461","10.1039/c3dt53101e","","","0.71073","MoKα","","0.0509","0.0365","","","0.0843","0.0899","","","","","","0.966","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029180","10.9504","0.0008","12.2006","0.0009","11.1011","0.0008","90","","108.697","0.001","90","","1404.85","0.18","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C16 H48 N14 Ta2 -","- C16 H48 N14 Ta2 -","- C32 H96 N28 Ta4 -","2","0.25","","Huang, Shih-Huang; Nesterov, Vladimir N.; Richmond, Michael G.","New azido-substituted tantalum compounds: syntheses and DFT examination of nitrogen-rich mono-, di-, and trinuclear tantalum(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3453","3461","10.1039/c3dt53101e","","","0.71073","MoKα","","0.0112","0.0108","","","0.0254","0.0255","","","","","","1.035","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029181","7.0099","0.0002","16.7184","0.0005","16.759","0.0006","90","","90","","90","","1964.06","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H33 N8 Ta -","- C13 H33 N8 Ta -","- C52 H132 N32 Ta4 -","4","1","","Huang, Shih-Huang; Nesterov, Vladimir N.; Richmond, Michael G.","New azido-substituted tantalum compounds: syntheses and DFT examination of nitrogen-rich mono-, di-, and trinuclear tantalum(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3453","3461","10.1039/c3dt53101e","","","0.71073","MoKα","","0.0154","0.0144","","","0.0334","0.0337","","","","","","1.004","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029182","12.8379","0.0009","12.9726","0.0009","16.6282","0.0012","83.181","0.001","76.997","0.001","63.853","0.001","2421.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H65 N18 Ta3 -","- C40 H65 N18 Ta3 -","- C80 H130 N36 Ta6 -","2","1","","Huang, Shih-Huang; Nesterov, Vladimir N.; Richmond, Michael G.","New azido-substituted tantalum compounds: syntheses and DFT examination of nitrogen-rich mono-, di-, and trinuclear tantalum(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3453","3461","10.1039/c3dt53101e","","","0.71073","MoKα","","0.0631","0.0366","","","0.0785","0.0884","","","","","","1.008","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029183","11.6393","0.0008","8.6453","0.0006","17.1298","0.0012","90","","90","","90","","1723.7","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H16 N2 -","- C7 H16 N2 -","- C56 H128 N16 -","8","1","","Huang, Shih-Huang; Nesterov, Vladimir N.; Richmond, Michael G.","New azido-substituted tantalum compounds: syntheses and DFT examination of nitrogen-rich mono-, di-, and trinuclear tantalum(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3453","3461","10.1039/c3dt53101e","","","0.71073","MoKα","","0.0396","0.0358","","","0.094","0.0975","","","","","","1.035","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029184","20.082","0.002","13.865","0.001","9.382","0.0007","90","","90","","90","","2612.3","0.4","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Fe N2 -","- C16 H16 Fe N2 -","- C128 H128 Fe8 N16 -","8","1","","Rittinghaus, Stefan; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Unsymmetrical N-heterocyclic carbenes with a 1,1'-ferrocenediyl backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3508","3520","10.1039/c3dt52669k","","","0.71073","MoKα","","0.0674","0.0342","","","0.0583","0.0649","","","","","","0.878","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029185","26.917","0.002","13.8187","0.0007","17.8272","0.0014","90","","125.348","0.005","90","","5408.6","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H35 B F4 Fe N2 -","- C26 H35 B F4 Fe N2 -","- C208 H280 B8 F32 Fe8 N16 -","8","1","","Rittinghaus, Stefan; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Unsymmetrical N-heterocyclic carbenes with a 1,1'-ferrocenediyl backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3508","3520","10.1039/c3dt52669k","","","0.71073","MoKα","","0.053","0.0392","","","0.1019","0.106","","","","","","1.018","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029186","24.2589","0.0015","12.7596","0.0004","21.911","0.0014","90","","119.247","0.004","90","","5917.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cl Fe N2 Rh -","- C30 H36 Cl Fe N2 Rh -","- C240 H288 Cl8 Fe8 N16 Rh8 -","8","1","","Rittinghaus, Stefan; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Unsymmetrical N-heterocyclic carbenes with a 1,1'-ferrocenediyl backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3508","3520","10.1039/c3dt52669k","","","0.71073","MoKα","","0.0409","0.035","","","0.089","0.0907","","","","","","0.956","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029187","11.797","0.003","19.483","0.003","12.948","0.002","90","","115.25","0.014","90","","2691.6","1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Cl Fe N2 O2 Rh -","- C28 H34 Cl Fe N2 O2 Rh -","- C112 H136 Cl4 Fe4 N8 O8 Rh4 -","4","1","","Rittinghaus, Stefan; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Unsymmetrical N-heterocyclic carbenes with a 1,1'-ferrocenediyl backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3508","3520","10.1039/c3dt52669k","","","0.71073","MoKα","","0.0959","0.0707","","","0.1771","0.1923","","","","","","0.942","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029188","11.6403","0.0007","14.8878","0.001","20.1701","0.0012","98.297","0.005","91.535","0.005","103.422","0.005","3357.8","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.25 H42.5 Cl1.5 Fe N2 Rh -","- C39.25 H42.5 Cl1.499 Fe N2 Rh -","- C157 H170 Cl5.996 Fe4 N8 Rh4 -","4","2","","Rittinghaus, Stefan; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Unsymmetrical N-heterocyclic carbenes with a 1,1'-ferrocenediyl backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3508","3520","10.1039/c3dt52669k","","","0.71073","MoKα","","0.0832","0.0572","","","0.1347","0.1437","","","","","","0.935","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029189","21.2","0.002","6.6361","0.0005","21.901","0.003","90","","112.394","0.008","90","","2848.8","0.5","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Cl Fe N2 O2 Rh -","- C33 H30 Cl Fe N2 O2 Rh -","- C132 H120 Cl4 Fe4 N8 O8 Rh4 -","4","1","","Rittinghaus, Stefan; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Unsymmetrical N-heterocyclic carbenes with a 1,1'-ferrocenediyl backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3508","3520","10.1039/c3dt52669k","","","0.71073","MoKα","","0.1472","0.0509","","","0.0756","0.0956","","","","","","0.766","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029190","12.8531","0.0008","18.9358","0.0007","20.6272","0.0011","90","","104.753","0.004","90","","4854.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cl Fe N2 O2 Rh -","- C24 H24 Cl Fe N2 O2 Rh -","- C192 H192 Cl8 Fe8 N16 O16 Rh8 -","8","2","","Rittinghaus, Stefan; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Unsymmetrical N-heterocyclic carbenes with a 1,1'-ferrocenediyl backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3508","3520","10.1039/c3dt52669k","","","0.71073","MoKα","","0.0718","0.0446","","","0.0983","0.1051","","","","","","0.896","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029191","11.7145","0.0017","12.8372","0.0017","21.686","0.003","81.088","0.01","82.726","0.011","76.04","0.011","3113.1","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H46 Cl Fe N2 Rh -","- C34 H46 Cl Fe N2 Rh -","- C136 H184 Cl4 Fe4 N8 Rh4 -","4","2","","Rittinghaus, Stefan; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Unsymmetrical N-heterocyclic carbenes with a 1,1'-ferrocenediyl backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3508","3520","10.1039/c3dt52669k","","","0.71073","MoKα","","0.1486","0.0989","","","0.2454","0.2738","","","","","","0.892","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029192","9.3648","0.0005","15.1336","0.0007","16.4997","0.0011","90","","104.02","0.006","90","","2268.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N4 O6 Ru2 -","- C23 H16 N4 O6 Ru2 -","- C92 H64 N16 O24 Ru8 -","4","1","","Liao, Bei-Sih; Liu, Yi-Hung; Peng, Shie-Ming; Reddy, K. Rajender; Liu, Shin-Hung; Chou, Pi-Tai; Liu, Shiuh-Tzung","An unexpected semi-hydrogenation of a ligand in the complexation of 2,7-bispyridinyl-1,8-naphthyridine with Ru3(CO)12.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3557","3562","10.1039/c3dt53029a","","","0.71073","MoKα","","0.0335","0.0277","","","0.0641","0.0679","","","","","","1.013","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029193","12.8648","0.0006","16.2634","0.0008","23.2452","0.0012","90","","102.308","0.001","90","","4751.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 N6 Zn -","- C46 H58 N6 Zn -","- C184 H232 N24 Zn4 -","4","1","","Mikhalitsyna, E. A.; Tyurin, V. S.; Khrustalev, V. N.; Lonin, I. S.; Beletskaya, I. P.","Palladium-catalyzed amination of meso-(bromophenyl)porphyrins with diamines and azamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3563","3575","10.1039/c3dt52685b","","","0.71073","MoKα","","0.1196","0.0842","","","0.1914","0.208","","","","","","1.001","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029194","22.0941","0.001","22.0941","0.001","14.5099","0.0014","90","","90","","90","","7083","0.8","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C15 H18 Cd N4 O4 -","- C15 H18 Cd N4 O4 -","- C240 H288 Cd16 N64 O64 -","16","1","","Jia, Hongliang; Li, Yanlin; Xiong, Zhifang; Wang, Chengjie; Li, Gang","Five metal-organic frameworks from 3,4-dimethylphenyl substituted imidazole dicarboxylate: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3704","3715","10.1039/c3dt52910j","","","0.71073","MoKα","","0.103","0.0824","","","0.1996","0.2071","","","","","","1.239","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029195","11.107","0.0016","13.386","0.002","18.061","0.003","88.704","0.002","77.557","0.002","81.91","0.002","2596","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45.5 Cu3 N9 O12 -","- C54 H45.58 Cu3 N9 O12 -","- C108 H91.16 Cu6 N18 O24 -","2","1","","Jia, Hongliang; Li, Yanlin; Xiong, Zhifang; Wang, Chengjie; Li, Gang","Five metal-organic frameworks from 3,4-dimethylphenyl substituted imidazole dicarboxylate: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3704","3715","10.1039/c3dt52910j","","","0.71073","MoKα","","0.1631","0.0992","","","0.1952","0.2206","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029196","6.9122","0.0001","13.2192","0.0003","16.6432","0.0004","69.194","0.001","86.754","0.002","79.367","0.001","1397.11","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N4 O10 Pb4 -","- C26 H20 N4 O10 Pb4 -","- C52 H40 N8 O20 Pb8 -","2","1","","Jia, Hongliang; Li, Yanlin; Xiong, Zhifang; Wang, Chengjie; Li, Gang","Five metal-organic frameworks from 3,4-dimethylphenyl substituted imidazole dicarboxylate: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3704","3715","10.1039/c3dt52910j","","","0.71073","MoKα","","0.0688","0.0593","","","0.1766","0.1864","","","","","","1.063","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029197","18.737","0.002","20.667","0.003","23.441","0.003","90","","90","","90","","9077","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C100 H74 N16 O17 Zn4 -","- C100 H74 N16 O17 Zn4 -","- C400 H296 N64 O68 Zn16 -","4","0.5","","Jia, Hongliang; Li, Yanlin; Xiong, Zhifang; Wang, Chengjie; Li, Gang","Five metal-organic frameworks from 3,4-dimethylphenyl substituted imidazole dicarboxylate: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3704","3715","10.1039/c3dt52910j","","","0.71073","MoKα","","0.1901","0.0828","","","0.1536","0.199","","","","","","1.103","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029198","33.287","0.004","7.5503","0.0008","25.231","0.003","90","","95.425","0.002","90","","6312.8","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H55 Mn3 N10 O16 -","- C65 H56 Mn3 N10 O16 -","- C260 H224 Mn12 N40 O64 -","4","0.5","","Jia, Hongliang; Li, Yanlin; Xiong, Zhifang; Wang, Chengjie; Li, Gang","Five metal-organic frameworks from 3,4-dimethylphenyl substituted imidazole dicarboxylate: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3704","3715","10.1039/c3dt52910j","","","0.71073","MoKα","","0.1121","0.0738","","","0.1664","0.1885","","","","","","1.046","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029199","12.2347","0.0003","31.6797","0.0009","13.5802","0.0004","90","","115.654","0.001","90","","4744.7","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 B2 Cl3 Co F8 N9 O -","- C46 H40 B2 Cl3 Co F8 N9 O -","- C184 H160 B8 Cl12 Co4 F32 N36 O4 -","4","1","","Metherell, Alexander J.; Cullen, William; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D.","Fac and mer isomers of Ru(II) tris(pyrazolyl-pyridine) complexes as models for the vertices of coordination cages: structural characterisation and hydrogen-bonding characteristics.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","71","84","10.1039/c3dt52479e","","","0.71073","MoKα","","0.0956","0.0628","","","0.1434","0.1655","","","","","","1.059","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029200","14.3036","0.0009","13.2235","0.0008","23.5081","0.0016","90","","121.776","0.004","90","","3780","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 F12 N11 P2 Ru -","- C28 H27 F12 N11 P2 Ru -","- C112 H108 F48 N44 P8 Ru4 -","4","1","","Metherell, Alexander J.; Cullen, William; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D.","Fac and mer isomers of Ru(II) tris(pyrazolyl-pyridine) complexes as models for the vertices of coordination cages: structural characterisation and hydrogen-bonding characteristics.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","71","84","10.1039/c3dt52479e","","","0.71073","MoKα","","0.1437","0.0858","","","0.2479","0.2955","","","","","","1.047","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029201","14.1604","0.001","14.1604","0.001","19.0761","0.0014","90","","90","","120","","3312.6","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C69 H63 F6 N18 P Ru2 -","- C69 H63 F6 N18 P Ru2 -","- C138 H126 F12 N36 P2 Ru4 -","2","0.333333","","Metherell, Alexander J.; Cullen, William; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D.","Fac and mer isomers of Ru(II) tris(pyrazolyl-pyridine) complexes as models for the vertices of coordination cages: structural characterisation and hydrogen-bonding characteristics.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","71","84","10.1039/c3dt52479e","","","0.71073","MoKα","","0.0855","0.0506","","","0.1218","0.1594","","","","","","1.074","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7029202","11.1447","0.0002","12.2542","0.0003","20.6452","0.0004","93.729","0.001","95.919","0.001","111.004","0.001","2602.29","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H51 F12 N9 O2 P2 Ru -","- C51 H51 F12 N9 O2 P2 Ru -","- C102 H102 F24 N18 O4 P4 Ru2 -","2","1","","Metherell, Alexander J.; Cullen, William; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D.","Fac and mer isomers of Ru(II) tris(pyrazolyl-pyridine) complexes as models for the vertices of coordination cages: structural characterisation and hydrogen-bonding characteristics.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","71","84","10.1039/c3dt52479e","","","0.71073","MoKα","","0.0547","0.0465","","","0.1255","0.1346","","","","","","1.052","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029203","11.7741","0.0003","12.1017","0.0003","17.9981","0.0004","99.865","0.001","96.327","0.001","107.504","0.001","2373.61","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H45 F12 N9 O P2 Ru -","- C48 H45 F12 N9 O P2 Ru -","- C96 H90 F24 N18 O2 P4 Ru2 -","2","1","","Metherell, Alexander J.; Cullen, William; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D.","Fac and mer isomers of Ru(II) tris(pyrazolyl-pyridine) complexes as models for the vertices of coordination cages: structural characterisation and hydrogen-bonding characteristics.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","71","84","10.1039/c3dt52479e","","","0.71073","MoKα","","0.0273","0.026","","","0.067","0.068","","","","","","1.084","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029204","10.3032","0.0003","10.3032","0.0003","17.0022","0.0005","90","","90","","120","","1563.08","0.08","100","2","100","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C27 H27 F12 N9 P2 Ru -","- C27 H27 F12 N9 P2 Ru -","- C54 H54 F24 N18 P4 Ru2 -","2","0.333333","","Metherell, Alexander J.; Cullen, William; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D.","Fac and mer isomers of Ru(II) tris(pyrazolyl-pyridine) complexes as models for the vertices of coordination cages: structural characterisation and hydrogen-bonding characteristics.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","71","84","10.1039/c3dt52479e","","","0.71073","MoKα","","0.0482","0.0464","","","0.1227","0.1263","","","","","","1.051","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029205","13.8161","0.0005","13.2773","0.0005","20.7149","0.0007","90","","117.692","0.002","90","","3364.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 F12 N9 P2 Ru -","- C27 H27 F12 N9 P2 Ru -","- C108 H108 F48 N36 P8 Ru4 -","4","1","","Metherell, Alexander J.; Cullen, William; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D.","Fac and mer isomers of Ru(II) tris(pyrazolyl-pyridine) complexes as models for the vertices of coordination cages: structural characterisation and hydrogen-bonding characteristics.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","71","84","10.1039/c3dt52479e","","","0.71073","MoKα","","0.0703","0.0634","","","0.1495","0.1538","","","","","","1.124","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029206","35.012","0.01","8.148","0.005","23.29","0.005","90","","125.001","0.014","90","","5442","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H52 B N P2 Ru -","- C21 H52 B N P2 Ru -","- C168 H416 B8 N8 P16 Ru8 -","8","1","","Choi, Jong-Hoo; Schloerer, Nils E.; Berger, Josefine; Prechtl, Martin H. G.","Synthesis and characterisation of ruthenium dihydrogen complexes and their reactivity towards B-H bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","290","299","10.1039/c3dt52037d","","","0.71073","MoKα","","0.1476","0.0543","","","0.0963","0.1201","","","","","","0.902","","","","has coordinates","209454","2020-10-21","18:00:00",""
"7029207","17.4196","0.0003","15.7381","0.0003","29.2392","0.0006","90","","97.883","0.001","90","","7940.2","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H39 Ag Cl3 N3 O4 S4 -","- C34 H39 Ag Cl3 N3 O4 S4 -","- C272 H312 Ag8 Cl24 N24 O32 S32 -","8","1","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: anion control of dimensionality and connectivity in meta-pyridyl appended tetramercaptotetrathiacalix[4]arene based silver coordination networks.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","158","165","10.1039/c3dt52654b","","","0.71073","MoKα","","0.0714","0.042","","","0.1048","0.1283","","","","","","1.035","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029208","23.1415","0.0011","23.1415","0.0011","15.1463","0.0006","90","","90","","120","","7024.6","0.5","173","2","173","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C32 H34 Ag F6 N2 S4 Sb -","- C32 H34 Ag F6 N2 S4 Sb -","- C192 H204 Ag6 F36 N12 S24 Sb6 -","6","1","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: anion control of dimensionality and connectivity in meta-pyridyl appended tetramercaptotetrathiacalix[4]arene based silver coordination networks.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","158","165","10.1039/c3dt52654b","","","0.71073","MoKα","","0.1821","0.10947","","","0.2534","0.2995","","","","","","1.186","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7029209","23.1441","0.001","14.5274","0.001","19.8691","0.0012","90","","105.167","0.004","90","","6447.8","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H68 Ag B F4 N4 S8 -","- C64 H68 Ag B F4 N4 S8 -","- C256 H272 Ag4 B4 F16 N16 S32 -","4","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: anion control of dimensionality and connectivity in meta-pyridyl appended tetramercaptotetrathiacalix[4]arene based silver coordination networks.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","158","165","10.1039/c3dt52654b","","","0.71073","MoKα","","0.0899","0.0544","","","0.1546","0.1793","","","","","","1.013","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029210","10.0386","0.0002","10.0386","0.0002","26.4595","0.0008","90","","90","","90","","2666.42","0.11","293","2","293","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C28 H18 N8 O6 Zn -","- C28 H18 N8 O6 Zn -","- C112 H72 N32 O24 Zn4 -","4","0.5","","Gong, Yun; Zhang, Miao Miao; Hua, Wei; Sun, Jun Liang; Shi, Hui Fang; Jiang, Peng Gang; Liao, Fu Hui; Lin, Jian Hua","Metal-organic frameworks built from achiral 3-(5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoic acid: syntheses and structures of metal(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","145","151","10.1039/c3dt51736e","","","0.71073","MoKα","","0.0387","0.0353","","","0.092","0.0938","","","","","","1.1","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029211","30.7179","0.0012","6.9997","0.0004","19.1087","0.0008","90","","127.38","0.004","90","","3264.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H38 Cd N8 O14 -","- C28 H38 Cd N8 O14 -","- C112 H152 Cd4 N32 O56 -","4","0.5","","Gong, Yun; Zhang, Miao Miao; Hua, Wei; Sun, Jun Liang; Shi, Hui Fang; Jiang, Peng Gang; Liao, Fu Hui; Lin, Jian Hua","Metal-organic frameworks built from achiral 3-(5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoic acid: syntheses and structures of metal(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","145","151","10.1039/c3dt51736e","","","0.71073","MoKα","","0.0478","0.0349","","","0.0759","0.0836","","","","","","1.036","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029212","13.1742","0.0004","14.0167","0.0004","15.1557","0.0005","90","","103.318","0.003","90","","2723.37","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Co N8 O6 -","- C28 H22 Co N8 O6 -","- C112 H88 Co4 N32 O24 -","4","1","","Gong, Yun; Zhang, Miao Miao; Hua, Wei; Sun, Jun Liang; Shi, Hui Fang; Jiang, Peng Gang; Liao, Fu Hui; Lin, Jian Hua","Metal-organic frameworks built from achiral 3-(5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoic acid: syntheses and structures of metal(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","145","151","10.1039/c3dt51736e","","","0.71073","MoKα","","0.0456","0.0368","","","0.0924","0.0983","","","","","","1.047","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029213","12.9802","0.0006","13.9605","0.0006","15.0889","0.0006","90","","102.463","0.004","90","","2669.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N8 Ni O6 -","- C28 H22 N8 Ni O6 -","- C112 H88 N32 Ni4 O24 -","4","1","","Gong, Yun; Zhang, Miao Miao; Hua, Wei; Sun, Jun Liang; Shi, Hui Fang; Jiang, Peng Gang; Liao, Fu Hui; Lin, Jian Hua","Metal-organic frameworks built from achiral 3-(5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoic acid: syntheses and structures of metal(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","145","151","10.1039/c3dt51736e","","","0.71073","MoKα","","0.0563","0.0418","","","0.0966","0.1065","","","","","","1.027","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029214","21.3268","0.0004","6.665","0.0001","22.74","0.0004","90","","116.166","0.002","90","","2901.09","0.1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H32 Cl2 Hg N2 O2 -","- C30 H32 Cl2 Hg N2 O2 -","- C120 H128 Cl8 Hg4 N8 O8 -","4","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure 1D stair-type mercury coordination networks based on rigid bismonodentate C2-chiral organic tectons.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","166","172","10.1039/c3dt52036f","","","0.71073","MoKα","","0.0197","0.0164","","","0.0363","0.0374","","","","","","1.005","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029215","5.0861","0.0002","14.8867","0.0008","22.8798","0.0011","98.776","0.004","94.498","0.003","96.439","0.002","1693.2","0.14","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C62 H74 Cl10 Hg2 N4 O4 -","- C62 H74 Cl10 Hg2 N4 O4 -","- C62 H74 Cl10 Hg2 N4 O4 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure 1D stair-type mercury coordination networks based on rigid bismonodentate C2-chiral organic tectons.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","166","172","10.1039/c3dt52036f","","","0.71073","MoKα","","0.0845","0.0558","","","0.12","0.1306","","","","","","1.013","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029216","6.3226","0.0002","17.6883","0.0006","21.9405","0.0008","90","","90.795","0.001","90","","2453.5","0.14","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H56 Cl4 Hg2 N4 O4 -","- C48 H56 Cl4 Hg2 N4 O4 -","- C96 H112 Cl8 Hg4 N8 O8 -","2","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure 1D stair-type mercury coordination networks based on rigid bismonodentate C2-chiral organic tectons.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","166","172","10.1039/c3dt52036f","","","0.71073","MoKα","","0.0924","0.0434","","","0.055","0.0652","","","","","","1.01","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029217","15.097","0.001","4.9256","0.0003","17.5598","0.0012","90","","100.365","0.002","90","","1284.47","0.15","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","- C60 H64 N4 O4 -","2","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure 1D stair-type mercury coordination networks based on rigid bismonodentate C2-chiral organic tectons.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","166","172","10.1039/c3dt52036f","","","0.71073","MoKα","","0.0831","0.0522","","","0.1069","0.1237","","","","","","1.01","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029218","12.2143","0.0013","13.8051","0.0015","16.5293","0.0017","90","","90","","90","","2787.2","0.5","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C36 H48 Co3 N30 O6 -","- C36 H48 Co3 N30 O6 -","- C72 H96 Co6 N60 O12 -","2","0.25","","Wu, Bing-Yan; Yang, Chen-I; Nakano, Motohiro; Lee, Gene-Hsiang","Ferromagnetic interaction and slow magnetic relaxation in a Co3 cluster-based three-dimensional framework.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","47","50","10.1039/c3dt51997j","","","0.71073","MoKα","","0.1142","0.1039","","","0.253","0.2595","","","","","","1.211","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029219","13.8359","0.0007","17.5334","0.0009","14.0252","0.0007","90","","97.152","0.001","90","","3375.9","0.3","185","2","185","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H41 Cl2 O2 P Zr -","- C38 H41 Cl2 O2 P Zr -","- C152 H164 Cl8 O8 P4 Zr4 -","4","1","","Tang, Xiao-Yan; Long, Ying-Yun; Wang, Yong-Xia; Liu, Jing-Yu; Li, Yue-Sheng","Synthesis and characterization of phosphine-(thio)phenolate-based half-zirconocenes and their application in ethylene (co-)polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","222","230","10.1039/c3dt51659h","","","0.71073","MoKα","","0.0606","0.0455","","","0.0982","0.1055","","","","","","1.043","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029220","8.5278","0.0005","11.6963","0.0007","19.2212","0.0012","91.319","0.001","95.453","0.001","110.689","0.001","1782.14","0.19","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H45 Cl2 O2 P Zr -","- C36 H45 Cl2 O2 P Zr -","- C72 H90 Cl4 O4 P2 Zr2 -","2","1","","Tang, Xiao-Yan; Long, Ying-Yun; Wang, Yong-Xia; Liu, Jing-Yu; Li, Yue-Sheng","Synthesis and characterization of phosphine-(thio)phenolate-based half-zirconocenes and their application in ethylene (co-)polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","222","230","10.1039/c3dt51659h","","","0.71073","MoKα","","0.0516","0.0428","","","0.0995","0.1043","","","","","","1.055","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029221","10.2467","0.0005","12.3347","0.0006","17.214","0.0008","106.129","0.001","91.024","0.001","111.586","0.001","1925.82","0.16","185","2","185","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H53 Cl2 O3 P Si Zr -","- C39 H53 Cl2 O3 P Si Zr -","- C78 H106 Cl4 O6 P2 Si2 Zr2 -","2","1","","Tang, Xiao-Yan; Long, Ying-Yun; Wang, Yong-Xia; Liu, Jing-Yu; Li, Yue-Sheng","Synthesis and characterization of phosphine-(thio)phenolate-based half-zirconocenes and their application in ethylene (co-)polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","222","230","10.1039/c3dt51659h","","","0.71073","MoKα","","0.0462","0.0409","","","0.1022","0.1066","","","","","","1.047","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029222","11.8147","0.0004","11.8639","0.0003","18.4813","0.0007","95.379","0.002","101.262","0.002","115.172","0.002","2253.26","0.14","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H106 N4 Ni9 O32 -","- C64 H106 N4 Ni9 O32 -","- C64 H106 N4 Ni9 O32 -","1","0.5","","Massard, Alexandre; Rogez, Guillaume; Braunstein, Pierre","Synthesis and characterization of a new nonanuclear Ni(II) cluster from a pyridyl-alcohol ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","42","46","10.1039/c3dt52744a","","","0.71073","MoKα","","0.087","0.0599","","","0.1533","0.1666","","","","","","1.117","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029223","6.3501","0.0013","12.965","0.003","14.859","0.003","92.45","0.03","101.17","0.03","100.3","0.03","1177","0.5","108","2","108","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N7 O4 -","- C27 H23 N7 O4 -","- C54 H46 N14 O8 -","2","1","","Byrne, Joseph P.; Kitchen, Jonathan A.; Kotova, Oxana; Leigh, Vivienne; Bell, Alan P.; Boland, John J.; Albrecht, Martin; Gunnlaugsson, Thorfinnur","Synthesis, structural, photophysical and electrochemical studies of various d-metal complexes of btp [2,6-bis(1,2,3-triazol-4-yl)pyridine] ligands that give rise to the formation of metallo-supramolecular gels.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","196","209","10.1039/c3dt52309h","","","0.71073","MoKα","","0.072","0.0639","","","0.1262","0.1304","","","","","","1.214","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029224","12.235","0.002","17.491","0.004","17.627","0.004","105.76","0.03","105.52","0.03","93.49","0.03","3461.6","1.5","108","2","108","2","","","","","","","","8","P -1","-P 1","2","","","","- C56.5 H54.5 Cl F6 N15 O10.25 P Ru -","- C56.5 H54.5 Cl F6 N15 O10.25 P Ru -","- C113 H109 Cl2 F12 N30 O20.5 P2 Ru2 -","2","1","","Byrne, Joseph P.; Kitchen, Jonathan A.; Kotova, Oxana; Leigh, Vivienne; Bell, Alan P.; Boland, John J.; Albrecht, Martin; Gunnlaugsson, Thorfinnur","Synthesis, structural, photophysical and electrochemical studies of various d-metal complexes of btp [2,6-bis(1,2,3-triazol-4-yl)pyridine] ligands that give rise to the formation of metallo-supramolecular gels.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","196","209","10.1039/c3dt52309h","","","0.71073","MoKα","","0.0734","0.0705","","","0.2099","0.2138","","","","","","1.103","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029225","14.4083","0.001","14.8238","0.0011","16.2001","0.0012","108.541","0.003","91.506","0.003","115.862","0.003","2896.2","0.4","108","2","108","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H51 Cl F6 N15 Ni O9 P -","- C56 H51 Cl F6 N15 Ni O9 P -","- C112 H102 Cl2 F12 N30 Ni2 O18 P2 -","2","1","","Byrne, Joseph P.; Kitchen, Jonathan A.; Kotova, Oxana; Leigh, Vivienne; Bell, Alan P.; Boland, John J.; Albrecht, Martin; Gunnlaugsson, Thorfinnur","Synthesis, structural, photophysical and electrochemical studies of various d-metal complexes of btp [2,6-bis(1,2,3-triazol-4-yl)pyridine] ligands that give rise to the formation of metallo-supramolecular gels.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","196","209","10.1039/c3dt52309h","","","1.54178","CuKα","","0.0517","0.0497","","","0.1257","0.1274","","","","","","1.039","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029226","9.8772","0.0005","13.4186","0.0006","19.0545","0.0008","85.82","0.002","75.934","0.002","85.146","0.002","2437.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H66 N4 O5 S3 Zn -","- C48 H66 N4 O5 S3 Zn -","- C96 H132 N8 O10 S6 Zn2 -","2","1","","Salassa, Giovanni; Ryan, James W.; Escudero-Adán, Eduardo C; Kleij, Arjan W.","Spectroscopic properties of Zn(salphenazine) complexes and their application in small molecule organic solar cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","210","221","10.1039/c3dt52034j","","","0.71073","MoKα","","0.0783","0.046","","","0.107","0.1221","","","","","","1.028","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029227","16.9962","0.0006","13.2017","0.0005","18.0315","0.0007","90","","94.076","0.002","90","","4035.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 N4 O5 S3 Zn -","- C40 H50 N4 O5 S3 Zn -","- C160 H200 N16 O20 S12 Zn4 -","4","1","","Salassa, Giovanni; Ryan, James W.; Escudero-Adán, Eduardo C; Kleij, Arjan W.","Spectroscopic properties of Zn(salphenazine) complexes and their application in small molecule organic solar cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","210","221","10.1039/c3dt52034j","","","0.71073","MoKα","","0.1324","0.0551","","","0.1025","0.1309","","","","","","0.976","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029228","8.4465","0.0006","26.2356","0.0019","11.8552","0.0008","90","","93.14","0.001","90","","2623.2","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 P2 -","- C32 H32 P2 -","- C128 H128 P8 -","4","1","","Ritch, Jamie S.; Julienne, Delphine; Rybchinski, Shayne R.; Brockman, Kathryne S.; Johnson, Kevin R. D.; Hayes, Paul G.","Secondary diphosphine and diphosphido ligands: synthesis, characterisation and group 1 coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","267","276","10.1039/c3dt51844b","","","0.71073","MoKα","","0.0538","0.046","","","0.1215","0.1271","","","","","","1.037","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029229","9.2514","0.0007","21.7558","0.0018","12.7311","0.0011","90","","90.93","0.006","90","","2562.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 P2 Se2 -","- C16 H28 P2 Se2 -","- C64 H112 P8 Se8 -","4","1","","Ritch, Jamie S.; Julienne, Delphine; Rybchinski, Shayne R.; Brockman, Kathryne S.; Johnson, Kevin R. D.; Hayes, Paul G.","Secondary diphosphine and diphosphido ligands: synthesis, characterisation and group 1 coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","267","276","10.1039/c3dt51844b","","","0.71073","MoKα","","0.0598","0.0378","","","0.0834","0.0886","","","","","","1.006","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029230","33.518","0.003","15.0365","0.0013","16.5961","0.0015","90","","97.155","0.001","90","","8299.2","1.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C47 H61 P2 -","- C47 H61 P2 -","- C376 H488 P16 -","8","1","","Ritch, Jamie S.; Julienne, Delphine; Rybchinski, Shayne R.; Brockman, Kathryne S.; Johnson, Kevin R. D.; Hayes, Paul G.","Secondary diphosphine and diphosphido ligands: synthesis, characterisation and group 1 coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","267","276","10.1039/c3dt51844b","","","0.71073","MoKα","","0.0967","0.0529","","","0.1168","0.1401","","","","","","1.017","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029231","13.3096","0.0019","17.99","0.003","21.542","0.003","87.891","0.002","87.743","0.002","68.936","0.002","4808.2","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H152 K2 O18 P2 -","- C84 H136 K2 O16 P2 -","- C168 H272 K4 O32 P4 -","2","1","","Ritch, Jamie S.; Julienne, Delphine; Rybchinski, Shayne R.; Brockman, Kathryne S.; Johnson, Kevin R. D.; Hayes, Paul G.","Secondary diphosphine and diphosphido ligands: synthesis, characterisation and group 1 coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","267","276","10.1039/c3dt51844b","","","0.71073","MoKα","","0.1122","0.0642","","","0.1624","0.1805","","","","","","1.028","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029232","16.3704","0.0003","19.8946","0.0004","17.438","0.0003","90","","113.083","0.001","90","","5224.56","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H84 Li4 N4 P4 -","- C44 H84 Li4 N4 P4 -","- C176 H336 Li16 N16 P16 -","4","1","","Ritch, Jamie S.; Julienne, Delphine; Rybchinski, Shayne R.; Brockman, Kathryne S.; Johnson, Kevin R. D.; Hayes, Paul G.","Secondary diphosphine and diphosphido ligands: synthesis, characterisation and group 1 coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","267","276","10.1039/c3dt51844b","","","0.71073","MoKα","","0.0696","0.0435","","","0.101","0.1153","","","","","","1.02","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029233","7.684","0.002","22.104","0.003","17.567","0.003","90","","95.756","0.002","90","","2968.7","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Br Cl4 N2 Pt -","- C28 H21 Br Cl4 N2 Pt -","- C112 H84 Br4 Cl16 N8 Pt4 -","4","1","","Ni, Jun; Wang, You-Gui; Wang, Hui-Hui; Xu, Liang; Zhao, Yan-Qiu; Pan, Yu-Zhen; Zhang, Jian-Jun","Thermo- and mechanical-grinding-triggered color and luminescence switches of the diimine-platinum(II) complex with 4-bromo-2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","352","360","10.1039/c3dt51936h","","","0.71073","MoKα","","0.0991","0.0546","","","0.1298","0.1482","","","","","","1.007","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029234","7.7725","0.0004","21.7699","0.0012","18.8391","0.0008","90","","94.51","0.002","90","","3177.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br Cl6 N2 Pt -","- C28 H18 Br Cl6 N2 Pt -","- C112 H72 Br4 Cl24 N8 Pt4 -","4","1","","Ni, Jun; Wang, You-Gui; Wang, Hui-Hui; Xu, Liang; Zhao, Yan-Qiu; Pan, Yu-Zhen; Zhang, Jian-Jun","Thermo- and mechanical-grinding-triggered color and luminescence switches of the diimine-platinum(II) complex with 4-bromo-2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","352","360","10.1039/c3dt51936h","","","0.71073","MoKα","","0.0818","0.0568","","","0.1569","0.174","","","","","","1.042","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029235","19.3553","0.0003","10.4491","0.0002","39.27","0.0007","90","","95.841","0.002","90","","7900.9","0.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H51 N6 O3 Sc -","- C30 H51 N6 O3 Sc -","- C240 H408 N48 O24 Sc8 -","8","2","","Arnold, Polly L.; Marr, Isobel A.; Zlatogorsky, Sergey; Bellabarba, Ronan; Tooze, Robert P.","Activation of carbon dioxide and carbon disulfide by a scandium N-heterocyclic carbene complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","34","37","10.1039/c3dt52762j","","","0.71073","MoKα","","0.0842","0.0642","","","0.1575","0.1684","","","","","","1.129","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029236","24.272","0.005","15.167","0.005","24.651","0.005","90","0.005","107.109","0.005","90","0.005","8673","4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H114 N12 O6 S4 Sc2 -","- C74 H114 N12 O6 S4 Sc2 -","- C296 H456 N48 O24 S16 Sc8 -","4","1","","Arnold, Polly L.; Marr, Isobel A.; Zlatogorsky, Sergey; Bellabarba, Ronan; Tooze, Robert P.","Activation of carbon dioxide and carbon disulfide by a scandium N-heterocyclic carbene complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","34","37","10.1039/c3dt52762j","","","1.5418","CuKα","","0.1573","0.1314","","","0.3421","0.3747","","","","","","1.483","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029237","15.0794","0.0014","15.1041","0.0011","15.2673","0.0013","72.737","0.007","60.94","0.009","84.799","0.007","2896.7","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H168 N12 O12 S8 Sc2 -","- C106 H168 N12 O12 S8 Sc2 -","- C106 H168 N12 O12 S8 Sc2 -","1","0.5","","Arnold, Polly L.; Marr, Isobel A.; Zlatogorsky, Sergey; Bellabarba, Ronan; Tooze, Robert P.","Activation of carbon dioxide and carbon disulfide by a scandium N-heterocyclic carbene complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","34","37","10.1039/c3dt52762j","","","1.54184","CuKα","","0.093","0.0778","","","0.2224","0.2433","","","","","","1.039","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029238","8.4671","0.0005","11.5196","0.0007","14.1073","0.0008","90","","90","","90","","1375.99","0.14","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N2 O S2 -","- C11 H18 N2 O S2 -","- C44 H72 N8 O4 S8 -","4","1","","Arnold, Polly L.; Marr, Isobel A.; Zlatogorsky, Sergey; Bellabarba, Ronan; Tooze, Robert P.","Activation of carbon dioxide and carbon disulfide by a scandium N-heterocyclic carbene complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","34","37","10.1039/c3dt52762j","","","0.7108","MoKα","","0.0628","0.0543","","","0.1123","0.1154","","","","","","1.161","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029239","8.8981","0.0002","14.3944","0.0003","16.7428","0.0005","90","","97.847","0.002","90","","2124.38","0.09","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 N Nb0.18 P Ta0.82 -","- C20 H31 N Nb0.18 P Ta0.82 -","- C80 H124 N4 Nb0.72 P4 Ta3.28 -","4","1","","McLeod, Nicolas A.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Mountford, Philip; Nikonov, Georgii I.","Group 5 hydride and borohydride complexes supported by cyclopentadienyl-imido ligand sets.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","188","195","10.1039/c3dt52489b","","","0.71073","MoKα","","0.07","0.0513","","","0.1236","0.1326","","","","","","1.072","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029240","10.6798","0.0002","20.3557","0.0005","15.7752","0.0003","90","","96.568","0.001","90","","3406.94","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 B2 N2 Nb2 -","- C34 H52 B2 N2 Nb2 -","- C136 H208 B8 N8 Nb8 -","4","1","","McLeod, Nicolas A.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Mountford, Philip; Nikonov, Georgii I.","Group 5 hydride and borohydride complexes supported by cyclopentadienyl-imido ligand sets.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","188","195","10.1039/c3dt52489b","","","0.71073","MoKα","","0.0432","0.0348","","","0.0802","0.0865","","","","","","1.135","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029241","10.677","0.0002","20.3428","0.0002","15.7568","0.0002","90","","96.4877","0.0005","90","","3400.46","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[CpTa(u-NAr)(BH4)]2","","- C34 H52 B2 N2 Ta2 -","- C34 H52 B2 N2 Ta2 -","- C136 H208 B8 N8 Ta8 -","4","1","","McLeod, Nicolas A.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Mountford, Philip; Nikonov, Georgii I.","Group 5 hydride and borohydride complexes supported by cyclopentadienyl-imido ligand sets.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","188","195","10.1039/c3dt52489b","","","0.71073","MoKα","","0.0407","0.0275","","0.0502","0.0291","0.0291","","","","","","1.0738","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029242","19.011","0.004","14.07","0.003","15.684","0.004","90","","120.772","0.007","90","","3604.6","1.4","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 B F2 N2 O2 -","- C19 H21 B F2 N2 O2 -","- C152 H168 B8 F16 N16 O16 -","8","1","","Barbon, Stephanie M.; Staroverov, Viktor N.; Boyle, Paul D.; Gilroy, Joe B.","Hydrogen-bond-supported dimeric boron complexes of potentially tetradentate β-diketiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","240","250","10.1039/c3dt52188e","","","0.71073","MoKα","","0.0855","0.0485","","","0.132","0.1491","","","","","","1.063","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029243","11.679","0.004","18.005","0.006","15.166","0.004","90","","111.449","0.012","90","","2968.2","1.6","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 B2 N4 O5 -","- C34 H32 B2 N4 O5 -","- C136 H128 B8 N16 O20 -","4","1","","Barbon, Stephanie M.; Staroverov, Viktor N.; Boyle, Paul D.; Gilroy, Joe B.","Hydrogen-bond-supported dimeric boron complexes of potentially tetradentate β-diketiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","240","250","10.1039/c3dt52188e","","","0.71073","MoKα","","0.1263","0.0565","","","0.1172","0.145","","","","","","1.01","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029244","12.9613","0.0012","12.9225","0.001","46.063","0.004","90","","90.277","0.002","90","","7715.1","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H80 Cu8 N4 P4 S4 -","- C64 H80 Cu8 N4 P4 S4 -","- C256 H320 Cu32 N16 P16 S16 -","4","1","","Leung, Wing-Por; Chan, Yuk-Chi; Mak, Thomas C. W.","Synthesis and characterization of an octanuclear copper(I) methanediide cluster.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","63","66","10.1039/c3dt52833b","","","0.71073","MoKα","","0.1284","0.0773","","","0.1747","0.1958","","","","","","0.953","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029245","22.825","0.0018","23.459","0.0018","18.676","0.0014","90","","120.296","0.002","90","","8634.4","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Gd N7 Ni2 O15 -","- C84 H72 Gd N7 Ni2 O15 -","- C336 H288 Gd4 N28 Ni8 O60 -","4","0.5","","Upadhyay, Apoorva; Komatireddy, Navatha; Ghirri, Alberto; Tuna, Floriana; Langley, Stuart K.; Srivastava, Anant K.; Sañudo, E Carolina; Moubaraki, Boujemaa; Murray, Keith S.; McInnes, Eric J. L.; Affronte, Marco; Shanmugam, Maheswaran","Synthesis and magnetothermal properties of a ferromagnetically coupled Ni(II)-Gd(III)-Ni(II) cluster.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","259","266","10.1039/c3dt52384e","","","0.71073","MoKα","","0.0463","0.0365","","","0.1009","0.1052","","","","","","1.066","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029246","43.484","0.018","26.316","0.011","22.43","0.009","90","","90.713","0.005","90","","25665","18","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C103.25 H109 Ce2 N16 O25.25 -","- C103.28 H100.07 Ce2 N16.01 O25.26 -","- C826.24 H800.56 Ce16 N128.08 O202.08 -","8","1","","Zhao, Liang; Liu, Yang; He, Cheng; Wang, Jian; Duan, Chunying","Coordination-driven nanosized lanthanide 'Molecular Lanterns' as luminescent chemosensors for the selective sensing of magnesium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","335","343","10.1039/c3dt51900g","","","0.71073","MoKα","","0.2143","0.0897","","","0.1812","0.2026","","","","","","1.008","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029247","15.1804","0.0014","17.668","0.0016","19.8999","0.0018","94.536","0.006","112.377","0.005","98.093","0.006","4834.7","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C93.25 H92.25 Ce2 N13.75 O22.75 -","- C93.25 H72.25 Ce2 N13.75 O22.75 -","- C186.5 H144.5 Ce4 N27.5 O45.5 -","2","1","","Zhao, Liang; Liu, Yang; He, Cheng; Wang, Jian; Duan, Chunying","Coordination-driven nanosized lanthanide 'Molecular Lanterns' as luminescent chemosensors for the selective sensing of magnesium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","335","343","10.1039/c3dt51900g","","","0.71073","MoKα","","0.1563","0.0784","","","0.175","0.202","","","","","","1.029","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029248","14.6649","0.0008","18.343","0.0009","33.4669","0.0015","94.839","0.003","90.172","0.004","93.138","0.003","8956.7","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C177 H209 Ce2 N24 O38 -","- C177 H197 Ce2 N24 O38 -","- C354 H394 Ce4 N48 O76 -","2","1","","Zhao, Liang; Liu, Yang; He, Cheng; Wang, Jian; Duan, Chunying","Coordination-driven nanosized lanthanide 'Molecular Lanterns' as luminescent chemosensors for the selective sensing of magnesium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","335","343","10.1039/c3dt51900g","","","0.71073","MoKα","","0.109","0.0711","","","0.1779","0.1939","","","","","","0.967","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029249","6.1037","0.0004","7.335","0.0007","9.0294","0.0008","103.45","0.008","90.701","0.007","100.79","0.007","385.55","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","Lithium tartrate","Dilithium D,L-tartrate dihydrate","","- C4 H8 Li2 O8 -","- C4 H8 Li2 O8 -","- C8 H16 Li4 O16 -","2","1","","Yeung, Hamish Hei-Man; Cheetham, Anthony Kevin","Phase selection during the crystallization of metal-organic frameworks; thermodynamic and kinetic factors in the lithium tartrate system.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","95","102","10.1039/c3dt52430b","","","0.7107","MoKα","","0.0477","0.0335","","","0.0812","0.0849","","","","","","0.974","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7029250","5.5637","0.0005","9.3007","0.0008","24.992","0.002","90","","90","","90","","1293.24","0.19","120","","120","","","","","","","","","4","C 2 2 21","C 2c 2","20","Lithium tartrate","Lithium meso-tartrate hemihydrate","","- C4 H5 Li2 O6.5 -","- C4 H5 Li2 O6.5 -","- C32 H40 Li16 O52 -","8","1","","Yeung, Hamish Hei-Man; Cheetham, Anthony Kevin","Phase selection during the crystallization of metal-organic frameworks; thermodynamic and kinetic factors in the lithium tartrate system.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","95","102","10.1039/c3dt52430b","","","0.71073","MoKα","","0.0489","0.0391","","","0.0737","0.0784","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029251","8.3017","0.0007","8.604","0.0008","21.8658","0.0017","90","","95.316","0.005","90","","1555.1","0.2","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Au Cl N2 Ni O S2 -","- C10 H22 Au Cl N2 Ni O S2 -","- C40 H88 Au4 Cl4 N8 Ni4 O4 S8 -","4","1","","Pinder, Tiffany A.; Montalvo, Steven K.; Lunsford, Allen M.; Hsieh, Chung-Hung; Reibenspies, Joseph H.; Darensbourg, Marcetta Y.","Versatile N2S2 nickel-dithiolates as mono- and bridging bidentate, S-donor ligands to gold(I).","Dalton transactions (Cambridge, England : 2003)","2014","43","1","138","144","10.1039/c3dt52295d","","","1.54178","CuKα","","0.0292","0.0251","","","0.0607","0.0617","","","","","","1.006","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029252","8.661","0.002","15.988","0.004","13.637","0.003","90","","100.346","0.003","90","","1857.6","0.8","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H48 Au2 Cl2 N4 Ni2 O2 S4 -","- C22 H48 Au2 Cl2 N4 Ni2 O2 S4 -","- C44 H96 Au4 Cl4 N8 Ni4 O4 S8 -","2","0.5","","Pinder, Tiffany A.; Montalvo, Steven K.; Lunsford, Allen M.; Hsieh, Chung-Hung; Reibenspies, Joseph H.; Darensbourg, Marcetta Y.","Versatile N2S2 nickel-dithiolates as mono- and bridging bidentate, S-donor ligands to gold(I).","Dalton transactions (Cambridge, England : 2003)","2014","43","1","138","144","10.1039/c3dt52295d","","","0.71073","MoKα","","0.0234","0.0198","","","0.0474","0.0483","","","","","","1.049","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029253","16.697","0.003","11.0833","0.0019","16.059","0.003","90","","102.978","0.002","90","","2895.9","0.9","110","2","110","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 Au Cl N2 Ni O P S2 -","- C28 H37 Au Cl N2 Ni O P S2 -","- C112 H148 Au4 Cl4 N8 Ni4 O4 P4 S8 -","4","1","","Pinder, Tiffany A.; Montalvo, Steven K.; Lunsford, Allen M.; Hsieh, Chung-Hung; Reibenspies, Joseph H.; Darensbourg, Marcetta Y.","Versatile N2S2 nickel-dithiolates as mono- and bridging bidentate, S-donor ligands to gold(I).","Dalton transactions (Cambridge, England : 2003)","2014","43","1","138","144","10.1039/c3dt52295d","","","0.71073","MoKα","","0.0244","0.0214","","","0.0508","0.0517","","","","","","1.075","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029254","8.308","0.002","24.096","0.006","10.191","0.003","90","","110.431","0.003","90","","1911.8","0.9","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H56 Au2 N6 Ni2 O4 S4 -","- C28 H56 Au2 N6 Ni2 O4 S4 -","- C56 H112 Au4 N12 Ni4 O8 S8 -","2","0.5","","Pinder, Tiffany A.; Montalvo, Steven K.; Lunsford, Allen M.; Hsieh, Chung-Hung; Reibenspies, Joseph H.; Darensbourg, Marcetta Y.","Versatile N2S2 nickel-dithiolates as mono- and bridging bidentate, S-donor ligands to gold(I).","Dalton transactions (Cambridge, England : 2003)","2014","43","1","138","144","10.1039/c3dt52295d","","","0.71073","MoKα","","0.0418","0.0269","","","0.0501","0.0545","","","","","","1.014","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029255","13.465","0.002","16.178","0.002","25.137","0.004","75.987","0.002","78.277","0.002","71.395","0.002","4987.7","1.3","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C96 H100 Au4 N10 Ni2 O7 P4 S4 -","- C96 H100 Au4 N10 Ni2 O7 P4 S4 -","- C192 H200 Au8 N20 Ni4 O14 P8 S8 -","2","1","","Pinder, Tiffany A.; Montalvo, Steven K.; Lunsford, Allen M.; Hsieh, Chung-Hung; Reibenspies, Joseph H.; Darensbourg, Marcetta Y.","Versatile N2S2 nickel-dithiolates as mono- and bridging bidentate, S-donor ligands to gold(I).","Dalton transactions (Cambridge, England : 2003)","2014","43","1","138","144","10.1039/c3dt52295d","","","0.71073","MoKα","","0.0567","0.043","","","0.0993","0.1039","","","","","","1.125","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029256","11.3839","0.0002","12.7921","0.0002","20.0475","0.0003","81.878","0.002","76.444","0.002","89.88","0.002","2808.14","0.08","130","2","130","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H64 Au Cl2 F3 N2 O3 P2 S -","- C60 H64 Au Cl2 F3 N2 O3 P2 S -","- C120 H128 Au2 Cl4 F6 N4 O6 P4 S2 -","2","1","","Visbal, Renso; López-de-Luzuriaga, José M; Laguna, Antonio; Gimeno, M Concepción","Three-coordinate gold(I) N-heterocyclic carbene complexes: a new class of strongly luminescent derivatives.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","328","334","10.1039/c3dt52146j","","","0.71073","MoKα","","0.0261","0.0228","","","0.0535","0.0548","","","","","","1.027","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029257","11.4745","0.001","12.6486","0.0011","19.5252","0.0016","85.61","0.001","79.894","0.001","89.419","0.001","2781.6","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C59 H64 Au Cl2 F3 N2 O3 P2 S -","- C59 H64 Au Cl2 F3 N2 O3 P2 S -","- C118 H128 Au2 Cl4 F6 N4 O6 P4 S2 -","2","1","","Visbal, Renso; López-de-Luzuriaga, José M; Laguna, Antonio; Gimeno, M Concepción","Three-coordinate gold(I) N-heterocyclic carbene complexes: a new class of strongly luminescent derivatives.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","328","334","10.1039/c3dt52146j","","","0.71073","MoKα","","0.0752","0.0701","","","0.1546","0.1571","","","","","","1.174","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7029258","17.336","0.0004","21.4653","0.0005","21.4776","0.0004","113.84","0.001","104.115","0.001","102.168","0.001","6644.6","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C133 H133 Cl9 N10 O16 P4 Pt2 -","- C133 H133 Cl9 N10 O16 P4 Pt2 -","- C266 H266 Cl18 N20 O32 P8 Pt4 -","2","1","","Zigon, Nicolas; Kyritsakas, Nathalie; Hosseini, Mir Wais","Organometallic turnstiles: acid and base locking and unlocking.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","152","157","10.1039/c3dt51996a","","","0.71073","MoKα","","0.093","0.0556","","","0.1403","0.1605","","","","","","1.03","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029259","11.4259","0.0002","16.0554","0.0004","19.552","0.0003","78.748","0.001","73.726","0.001","75.156","0.001","3298.62","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H67 N5 O10 P2 Pd Pt -","- C65 H63 N5 O10 P2 Pd Pt -","- C130 H126 N10 O20 P4 Pd2 Pt2 -","2","1","","Zigon, Nicolas; Kyritsakas, Nathalie; Hosseini, Mir Wais","Organometallic turnstiles: acid and base locking and unlocking.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","152","157","10.1039/c3dt51996a","","","0.71073","MoKα","","0.0528","0.0429","","","0.1329","0.1399","","","","","","1.067","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029260","11.7125","0.0006","6.5108","0.0003","27.4895","0.0013","90","","101.933","0.001","90","","2050.99","0.17","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 N2 -","- C26 H36 N2 -","- C104 H144 N8 -","4","1","","Krupski, Sergei; Pöttgen, Rainer; Schellenberg, Inga; Hahn, F. Ekkehardt","Benzannulated N-heterocyclic germylenes and stannylenes with sterically demanding N,N'-substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","173","181","10.1039/c3dt51961a","","","0.71073","MoKα","","0.0794","0.0576","","","0.1474","0.1636","","","","","","1.038","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029261","12.2811","0.0004","12.3784","0.0004","17.0783","0.0005","90","","97.757","0.001","90","","2572.49","0.14","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 N2 -","- C30 H40 N2 -","- C120 H160 N8 -","4","1","","Krupski, Sergei; Pöttgen, Rainer; Schellenberg, Inga; Hahn, F. Ekkehardt","Benzannulated N-heterocyclic germylenes and stannylenes with sterically demanding N,N'-substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","173","181","10.1039/c3dt51961a","","","0.71073","MoKα","","0.0591","0.0482","","","0.1264","0.1369","","","","","","1.015","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029262","9.0671","0.0015","10.9479","0.0018","27.971","0.005","90","","91.713","0.003","90","","2775.3","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Ge N2 -","- C30 H38 Ge N2 -","- C120 H152 Ge4 N8 -","4","1","","Krupski, Sergei; Pöttgen, Rainer; Schellenberg, Inga; Hahn, F. Ekkehardt","Benzannulated N-heterocyclic germylenes and stannylenes with sterically demanding N,N'-substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","173","181","10.1039/c3dt51961a","","","0.71073","MoKα","","0.0749","0.0426","","","0.0953","0.1077","","","","","","1.018","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029263","6.792","0.0003","10.7367","0.0004","19.9685","0.0008","90","","90","","90","","1456.18","0.1","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C14 H22 N2 Sn -","- C14 H22 N2 Sn -","- C56 H88 N8 Sn4 -","4","0.25","","Krupski, Sergei; Pöttgen, Rainer; Schellenberg, Inga; Hahn, F. Ekkehardt","Benzannulated N-heterocyclic germylenes and stannylenes with sterically demanding N,N'-substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","173","181","10.1039/c3dt51961a","","","0.71073","MoKα","","0.0184","0.0176","","","0.0475","0.048","","","","","","1.186","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029264","24.065","0.0009","9.4662","0.0003","6.1652","0.0002","90","","90","","90","","1404.46","0.08","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C18 H14 N2 Sn -","- C18 H14 N2 Sn -","- C72 H56 N8 Sn4 -","4","0.5","","Krupski, Sergei; Pöttgen, Rainer; Schellenberg, Inga; Hahn, F. Ekkehardt","Benzannulated N-heterocyclic germylenes and stannylenes with sterically demanding N,N'-substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","173","181","10.1039/c3dt51961a","","","0.71073","MoKα","","0.0178","0.0176","","","0.046","0.0462","","","","","","1.049","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029265","11.65","0.0005","21.5505","0.0009","10.9679","0.0005","90","","90","","90","","2753.6","0.2","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C30 H38 N2 Sn -","- C30 H38 N2 Sn -","- C120 H152 N8 Sn4 -","4","0.5","","Krupski, Sergei; Pöttgen, Rainer; Schellenberg, Inga; Hahn, F. Ekkehardt","Benzannulated N-heterocyclic germylenes and stannylenes with sterically demanding N,N'-substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","173","181","10.1039/c3dt51961a","","","0.71073","MoKα","","0.0283","0.0245","","","0.0628","0.0652","","","","","","1.053","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029266","10.7805","0.0004","11.2513","0.0004","14.5939","0.0006","97.029","0.001","95.415","0.001","94.351","0.001","1742.16","0.11","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H59 Li N2 O2 Sn -","- C38 H50 Li N2 O2 Sn -","- C76 H100 Li2 N4 O4 Sn2 -","2","1","","Krupski, Sergei; Pöttgen, Rainer; Schellenberg, Inga; Hahn, F. Ekkehardt","Benzannulated N-heterocyclic germylenes and stannylenes with sterically demanding N,N'-substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","173","181","10.1039/c3dt51961a","","","0.71073","MoKα","","0.0441","0.0391","","","0.1068","0.1104","","","","","","1.088","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029267","8.8284","0.0002","9.9359","0.0002","15.5614","0.0003","107.197","0.002","105.744","0.002","90.499","0.002","1249.19","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H64 Ag2 Cl2 N4 P4 -","- C48 H64 Ag2 Cl2 N4 P4 -","- C48 H64 Ag2 Cl2 N4 P4 -","1","0.5","","Ghalib, Mohammed; Könczöl, László; Nyulászi, László; Jones, Peter G.; Palm, Gottfried J.; Heinicke, Joachim W.","Impact of high π-density on the coordination properties of π-excess aromatic neutral σ2P ligands‒P(π)-donor bonds to Ag+ and HgCl2.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","51","54","10.1039/c3dt52909f","","","0.71073","MoKα","","0.0194","0.0171","","","0.0428","0.0442","","","","","","1.069","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029268","9.3339","0.0003","28.7742","0.0009","9.6247","0.0003","90","","94.243","0.004","90","","2577.87","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cl2 Hg N P2 -","- C26 H21 Cl2 Hg N P2 -","- C104 H84 Cl8 Hg4 N4 P8 -","4","1","","Ghalib, Mohammed; Könczöl, László; Nyulászi, László; Jones, Peter G.; Palm, Gottfried J.; Heinicke, Joachim W.","Impact of high π-density on the coordination properties of π-excess aromatic neutral σ2P ligands‒P(π)-donor bonds to Ag+ and HgCl2.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","51","54","10.1039/c3dt52909f","","","0.71073","MoKα","","0.0333","0.0255","","","0.0426","0.0442","","","","","","1.127","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029269","9.5642","0.0013","18.249","0.002","19.551","0.003","116.345","0.003","96.706","0.004","91.811","0.004","3023.7","0.7","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H45 B F24 N4 O5.5 Rh -","- C60 H44 B F24 N4 O5.5 Rh -","- C120 H88 B2 F48 N8 O11 Rh2 -","2","1","","Desnoyer, Addison N.; Dauth, Alexander; Patrick, Brian O.; Love, Jennifer A.","Ring expansion of a 2-rhodaoxetane: insertion chemistry with unsaturated molecules.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","30","33","10.1039/c3dt52569d","","","0.71073","MoKα","","0.0593","0.0474","","","0.1183","0.1242","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029270","33.88","0.03","14.178","0.013","20.595","0.018","90","","90","","90","","9893","15","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C104 H146 N2 O4 P4 Pt2 -","- C104 H146 N2 O4 P4 Pt2 -","- C416 H584 N8 O16 P16 Pt8 -","4","0.5","","Llewellyn, Ben A.; Slater, Anna G.; Goretzki, Gudrun; Easun, Timothy L.; Sun, Xue-Zhong; Davies, E. Stephen; Argent, Stephen P.; Lewis, William; Beeby, Andrew; George, Michael W.; Champness, Neil R.","Photophysics and electrochemistry of a platinum-acetylide disubstituted perylenediimide.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","85","94","10.1039/c3dt50874a","","","0.71073","MoKα","","0.172","0.149","","","0.364","0.385","","","","","","1.16","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029271","17.734","0.008","12.986","0.005","23.8022","0.001","90","","111.456","0.007","90","","5102","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H68 N2 O4 Si2 -","- C58 H68 N2 O4 Si2 -","- C232 H272 N8 O16 Si8 -","4","1","","Llewellyn, Ben A.; Slater, Anna G.; Goretzki, Gudrun; Easun, Timothy L.; Sun, Xue-Zhong; Davies, E. Stephen; Argent, Stephen P.; Lewis, William; Beeby, Andrew; George, Michael W.; Champness, Neil R.","Photophysics and electrochemistry of a platinum-acetylide disubstituted perylenediimide.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","85","94","10.1039/c3dt50874a","","","0.71075","MoKα","","0.213","0.1845","","","0.4952","0.515","","","","","","1.906","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029272","15.2582","0.0004","11.821","0.0003","16.0098","0.0011","90","","103.389","0.007","90","","2809.2","0.2","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Br2 N2 O4 -","- C36 H28 Br2 N2 O4 -","- C144 H112 Br8 N8 O16 -","4","1","","Llewellyn, Ben A.; Slater, Anna G.; Goretzki, Gudrun; Easun, Timothy L.; Sun, Xue-Zhong; Davies, E. Stephen; Argent, Stephen P.; Lewis, William; Beeby, Andrew; George, Michael W.; Champness, Neil R.","Photophysics and electrochemistry of a platinum-acetylide disubstituted perylenediimide.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","85","94","10.1039/c3dt50874a","","","0.710747","MoKα","","0.0238","0.0223","","","0.0547","0.0555","","","","","","1.046","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029273","8.9012","0.0008","8.9692","0.0008","10.1085","0.0007","76.626","0.007","70.921","0.007","67.717","0.008","700.4","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 N3 O9 P2 Zn -","- C8 H14 N3 O9 P2 Zn -","- C16 H28 N6 O18 P4 Zn2 -","2","1","","Zhang, Xiu-Ling; Cheng, Kai; Wang, Fei; Zhang, Jian","Chiral and achiral imidazole-linked tetrahedral zinc phosphonate frameworks with photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","285","289","10.1039/c3dt52159a","","","0.71073","MoKα","","0.0424","0.0323","","","0.068","0.0712","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029274","12.6601","0.0005","9.689","0.0005","19.0954","0.0007","90","","92.356","0.004","90","","2340.33","0.17","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 N4 O18 P4 Zn3 -","- C10 H18 N4 O18 P4 Zn3 -","- C40 H72 N16 O72 P16 Zn12 -","4","0.5","","Zhang, Xiu-Ling; Cheng, Kai; Wang, Fei; Zhang, Jian","Chiral and achiral imidazole-linked tetrahedral zinc phosphonate frameworks with photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","285","289","10.1039/c3dt52159a","","","0.71073","MoKα","","0.0408","0.0321","","","0.0745","0.0774","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029275","14.3807","0.0003","14.3807","0.0003","14.3552","0.0003","90","","90","","120","","2570.99","0.09","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C14 H24 N6 O14 P4 Zn3 -","- C14 H24 N6 O14 P4 Zn3 -","- C42 H72 N18 O42 P12 Zn9 -","3","0.5","","Zhang, Xiu-Ling; Cheng, Kai; Wang, Fei; Zhang, Jian","Chiral and achiral imidazole-linked tetrahedral zinc phosphonate frameworks with photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","285","289","10.1039/c3dt52159a","","","0.71073","MoKα","","0.0648","0.0587","","","0.1824","0.1873","","","","","","1.161","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029276","10.6729","0.0007","10.7918","0.0007","18.8925","0.0013","87.78","0.001","75.783","0.001","87.955","0.001","2107","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H43 Cl2 Gd N4 Ni3 O15 -","- C35 H43 Cl2 Gd N4 Ni3 O15 -","- C70 H86 Cl4 Gd2 N8 Ni6 O30 -","2","1","","Wang, Pei; Shannigrahi, Santiranjan; Yakovlev, Nikolai L.; Hor, T. S. Andy","Magnetocaloric effect of a series of remarkably isostructural intermetallic [Ni(II)3Ln(III)] cubane aggregates.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","182","187","10.1039/c3dt52176a","","","0.71073","MoKα","","0.0491","0.0437","","","0.1057","0.1086","","","","","","1.096","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029277","11.4649","0.0009","18.8485","0.0014","19.7796","0.0015","90","","99.732","0.001","90","","4212.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H43 Cl1.25 N4 Ni3 O15.5 Tb -","- C34.6 H42.2 Cl1.2 N4 Ni3 O15.4 Tb -","- C138.4 H168.8 Cl4.8 N16 Ni12 O61.6 Tb4 -","4","1","","Wang, Pei; Shannigrahi, Santiranjan; Yakovlev, Nikolai L.; Hor, T. S. Andy","Magnetocaloric effect of a series of remarkably isostructural intermetallic [Ni(II)3Ln(III)] cubane aggregates.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","182","187","10.1039/c3dt52176a","","","0.71073","MoKα","","0.056","0.0449","","","0.1106","0.1161","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029278","10.6814","0.0017","10.7905","0.0017","18.848","0.003","87.685","0.003","75.725","0.003","88.381","0.003","2103.2","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H43 Cl2 Dy N4 Ni3 O15 -","- C35 H43 Cl2 Dy N4 Ni3 O15 -","- C70 H86 Cl4 Dy2 N8 Ni6 O30 -","2","1","","Wang, Pei; Shannigrahi, Santiranjan; Yakovlev, Nikolai L.; Hor, T. S. Andy","Magnetocaloric effect of a series of remarkably isostructural intermetallic [Ni(II)3Ln(III)] cubane aggregates.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","182","187","10.1039/c3dt52176a","","","0.71073","MoKα","","0.0406","0.0382","","","0.1003","0.1016","","","","","","1.109","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029279","10.7144","0.0006","10.783","0.0006","18.7998","0.001","87.568","0.001","75.668","0.001","89.167","0.001","2102.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H43 Cl2 Ho N4 Ni3 O15 -","- C35 H43 Cl2 Ho N4 Ni3 O15 -","- C70 H86 Cl4 Ho2 N8 Ni6 O30 -","2","1","","Wang, Pei; Shannigrahi, Santiranjan; Yakovlev, Nikolai L.; Hor, T. S. Andy","Magnetocaloric effect of a series of remarkably isostructural intermetallic [Ni(II)3Ln(III)] cubane aggregates.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","182","187","10.1039/c3dt52176a","","","0.71073","MoKα","","0.0649","0.051","","","0.1094","0.1148","","","","","","1.078","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029280","10.7085","0.0007","10.7725","0.0007","18.7974","0.0013","87.557","0.001","75.655","0.001","89.168","0.001","2098.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H43 Cl2 N4 Ni3 O15 Y -","- C35 H43 Cl2 N4 Ni3 O15 Y -","- C70 H86 Cl4 N8 Ni6 O30 Y2 -","2","1","","Wang, Pei; Shannigrahi, Santiranjan; Yakovlev, Nikolai L.; Hor, T. S. Andy","Magnetocaloric effect of a series of remarkably isostructural intermetallic [Ni(II)3Ln(III)] cubane aggregates.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","182","187","10.1039/c3dt52176a","","","0.71073","MoKα","","0.0569","0.0402","","","0.0986","0.1052","","","","","","1.051","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029281","8.7298","0.0005","22.0835","0.0012","10.9754","0.0006","90","","112.501","0.002","90","","1954.81","0.19","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 B20 F12 -","- C26 H30 B20 F12 -","- C52 H60 B40 F24 -","2","1","","Bae, Hye Jin; Kim, Hyungjun; Lee, Kang Mun; Kim, Taewon; Lee, Yoon Sup; Do, Youngkyu; Lee, Min Hyung","Through-space charge transfer and emission color tuning of di-o-carborane substituted benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4978","4985","10.1039/c3dt52465e","","","0.71073","MoKα","","0.0938","0.0593","","","0.1577","0.1861","","","","","","1.017","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029282","11.932","0.002","13.89","0.002","13.636","0.002","90","","114.132","0.011","90","","2062.5","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 B20 -","- C30 H50 B20 -","- C60 H100 B40 -","2","0.5","","Bae, Hye Jin; Kim, Hyungjun; Lee, Kang Mun; Kim, Taewon; Lee, Yoon Sup; Do, Youngkyu; Lee, Min Hyung","Through-space charge transfer and emission color tuning of di-o-carborane substituted benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4978","4985","10.1039/c3dt52465e","","","0.71073","MoKα","","0.1007","0.082","","","0.2531","0.2733","","","","","","1.077","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029283","17.77","0.004","13.153","0.003","15.181","0.004","90","","102.535","0.01","90","","3463.7","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 B20 N2 -","- C26 H44 B20 N2 -","- C104 H176 B80 N8 -","4","1","","Bae, Hye Jin; Kim, Hyungjun; Lee, Kang Mun; Kim, Taewon; Lee, Yoon Sup; Do, Youngkyu; Lee, Min Hyung","Through-space charge transfer and emission color tuning of di-o-carborane substituted benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4978","4985","10.1039/c3dt52465e","","","0.71073","MoKα","","0.0931","0.0488","","","0.1182","0.1441","","","","","","1.012","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029284","9.638","0.004","23.829","0.01","17.341","0.007","90","","101.146","0.007","90","","3907","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H110 Mg2 N6 O4 Si4 -","- C72 H110 Mg2 N6 O4 Si4 -","- C144 H220 Mg4 N12 O8 Si8 -","2","0.5","","Yi, Wei; Ma, Haiyan","Magnesium complexes containing biphenyl-based tridentate imino-phenolate ligands for ring-opening polymerization of rac-lactide and α-methyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5200","5210","10.1039/c3dt53513d","","","0.71073","MoKα","","0.1521","0.0814","","","0.2015","0.2497","","","","","","0.995","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029285","11.442","0.007","13.37","0.008","14.072","0.008","61.692","0.011","87.288","0.012","70.508","0.011","1770.6","1.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H88 Br2 Mg2 N6 O2 Si4 -","- C62 H88 Br2 Mg2 N6 O2 Si4 -","- C62 H88 Br2 Mg2 N6 O2 Si4 -","1","0.5","","Yi, Wei; Ma, Haiyan","Magnesium complexes containing biphenyl-based tridentate imino-phenolate ligands for ring-opening polymerization of rac-lactide and α-methyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5200","5210","10.1039/c3dt53513d","","","0.71073","MoKα","","0.1154","0.0638","","","0.1923","0.2421","","","","","","1.017","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029286","20.194","0.004","11.41","0.002","31.852","0.006","90","","91.73","0.03","90","","7336","2","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H42 B20 Cl4 P2 S4 -","- C12 H38 B20 P2 S4 -","- C96 H304 B160 P16 S32 -","8","1","","Wrackmeyer, Bernd; Klimkina, Elena V.; Milius, Wolfgang","1,3,2-Dithiaphospholanes with an annelated 1,2-dicarba-closo-dodecaborane(12) unit: formation and reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5021","5043","10.1039/c3dt52753k","","","0.71073","MoKα","","0.1355","0.0904","","","0.2527","0.2718","","","","","","1.074","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029287","13.237","0.003","13.95","0.003","18.147","0.004","90","","90","","90","","3351","1.3","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H19 B10 P S3 -","- C6 H19 B10 P S3 -","- C48 H152 B80 P8 S24 -","8","1","","Wrackmeyer, Bernd; Klimkina, Elena V.; Milius, Wolfgang","1,3,2-Dithiaphospholanes with an annelated 1,2-dicarba-closo-dodecaborane(12) unit: formation and reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5021","5043","10.1039/c3dt52753k","","","0.71073","MoKα","","0.1125","0.0717","","","0.127","0.1391","","","","","","1.15","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029288","15.802","0.003","13.219","0.003","20.265","0.004","90","","90","","90","","4233.1","1.5","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H40 B20 Cl4 P4 S4 -","- C20 H40 B20 Cl4 P4 S4 -","- C80 H160 B80 Cl16 P16 S16 -","4","0.5","","Wrackmeyer, Bernd; Klimkina, Elena V.; Milius, Wolfgang","1,3,2-Dithiaphospholanes with an annelated 1,2-dicarba-closo-dodecaborane(12) unit: formation and reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5021","5043","10.1039/c3dt52753k","","","0.71073","MoKα","","0.0901","0.0621","","","0.1201","0.1291","","","","","","1.125","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029289","20.3816","0.0011","10.9027","0.0006","25.5288","0.0013","90","","90.84","0.003","90","","5672.3","0.5","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H89 Cl Ge N2 Si2 -","- C56 H89 Cl Ge N2 Si2 -","- C224 H356 Cl4 Ge4 N8 Si8 -","4","1","","Jana, Anukul; Majumdar, Moumita; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","NHC-coordinated silagermenylidene functionalized in allylic position and its behaviour as a ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5175","5181","10.1039/c4dt00094c","","","0.71073","MoKα","","0.1802","0.0619","","","0.1011","0.1332","","","","","","0.97","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029290","19.6288","0.0005","24.6607","0.0007","24.6974","0.0007","90","","90","","90","","11955","0.6","132","2","132","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C59 H89 Cl Fe Ge N2 O3 Si2 -","- C59 H89 Cl Fe Ge N2 O3 Si2 -","- C472 H712 Cl8 Fe8 Ge8 N16 O24 Si16 -","8","1","","Jana, Anukul; Majumdar, Moumita; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","NHC-coordinated silagermenylidene functionalized in allylic position and its behaviour as a ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5175","5181","10.1039/c4dt00094c","","","0.71073","MoKα","","0.0732","0.0442","","","0.0995","0.1131","","","","","","1.022","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029291","13.291","0.0004","19.9842","0.0005","24.8636","0.0007","89.143","0.001","88.102","0.002","76.122","0.002","6407.6","0.3","122","2","122","2","","","","","","","","8","P -1","-P 1","2","","","","- C61.25 H92 Cl Fe Ge N2 O4 Si2 -","- C61.25 H90.84 Cl Fe Ge N2 O4 Si2 -","- C245 H363.36 Cl4 Fe4 Ge4 N8 O16 Si8 -","4","2","","Jana, Anukul; Majumdar, Moumita; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","NHC-coordinated silagermenylidene functionalized in allylic position and its behaviour as a ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5175","5181","10.1039/c4dt00094c","","","0.71073","MoKα","","0.0967","0.0619","","","0.162","0.1744","","","","","","1.427","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029292","10.518","0.002","11.229","0.002","14.087","0.003","103.86","0.03","108.18","0.03","96.24","0.03","1504","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H49 B10 Li N2 O2 -","- C23 H49 B10 Li N2 O2 -","- C46 H98 B20 Li2 N4 O4 -","2","1","","Harmgarth, Nicole; Gräsing, Daniel; Dröse, Peter; Hrib, Cristian G.; Jones, Peter G.; Lorenz, Volker; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Novel inorganic heterocycles from dimetalated carboranylamidinates.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5001","5013","10.1039/c3dt52751d","","","0.71073","MoKα","","0.0713","0.0475","","","0.117","0.1259","","","","","","1","","","","has coordinates,has disorder","179998","2020-10-21","18:00:00",""
"7029293","6.618","0.001","10.211","0.0018","15.859","0.003","86.218","0.015","86.38","0.014","77.332","0.014","1042","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H34 B10 N2 -","- C15 H34 B10 N2 -","- C30 H68 B20 N4 -","2","1","","Harmgarth, Nicole; Gräsing, Daniel; Dröse, Peter; Hrib, Cristian G.; Jones, Peter G.; Lorenz, Volker; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Novel inorganic heterocycles from dimetalated carboranylamidinates.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5001","5013","10.1039/c3dt52751d","","","1.54184","CuKα","","0.0419","0.0414","","","0.109","0.1094","","","","","","1.049","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029294","10.182","0.002","13.527","0.003","20.85","0.004","90","","90","","90","","2871.7","1","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H44 B10 Li2 N2 O4 -","- C17 H44 B10 Li2 N2 O4 -","- C68 H176 B40 Li8 N8 O16 -","4","1","","Harmgarth, Nicole; Gräsing, Daniel; Dröse, Peter; Hrib, Cristian G.; Jones, Peter G.; Lorenz, Volker; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Novel inorganic heterocycles from dimetalated carboranylamidinates.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5001","5013","10.1039/c3dt52751d","","","0.71073","MoKα","","0.0764","0.0573","","","0.1037","0.1092","","","","","","1.082","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029295","15.616","0.003","9.2632","0.0019","19.139","0.004","90","","111.97","0.03","90","","2567.5","1.1","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H42 B10 N2 Si2 -","- C15 H42 B10 N2 Si2 -","- C60 H168 B40 N8 Si8 -","4","1","","Harmgarth, Nicole; Gräsing, Daniel; Dröse, Peter; Hrib, Cristian G.; Jones, Peter G.; Lorenz, Volker; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Novel inorganic heterocycles from dimetalated carboranylamidinates.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5001","5013","10.1039/c3dt52751d","","","0.71073","MoKα","","0.1222","0.0603","","","0.0874","0.0998","","","","","","0.916","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029296","10.334","0.002","12.194","0.002","19.991","0.004","104.6","0.03","90.89","0.03","108.06","0.03","2305.6","0.9","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H70 B10 N6 Sn2 -","- C31 H70 B10 N6 Sn2 -","- C62 H140 B20 N12 Sn4 -","2","1","","Harmgarth, Nicole; Gräsing, Daniel; Dröse, Peter; Hrib, Cristian G.; Jones, Peter G.; Lorenz, Volker; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Novel inorganic heterocycles from dimetalated carboranylamidinates.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5001","5013","10.1039/c3dt52751d","","","0.71073","MoKα","","0.085","0.0453","","","0.0642","0.0706","","","","","","0.947","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029297","35.6","0.007","6.6979","0.0013","24.238","0.005","90","","131.32","0.03","90","","4341","2","143","2","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H29 B10 N2 P -","- C15 H29 B10 N2 P -","- C120 H232 B80 N16 P8 -","8","1","","Harmgarth, Nicole; Gräsing, Daniel; Dröse, Peter; Hrib, Cristian G.; Jones, Peter G.; Lorenz, Volker; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Novel inorganic heterocycles from dimetalated carboranylamidinates.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5001","5013","10.1039/c3dt52751d","","","0.71073","MoKα","","0.0582","0.0432","","","0.0922","0.0973","","","","","","1.06","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029298","11.8346","0.0015","32.995","0.005","9.2931","0.0011","90","","123.079","0.017","90","","3040.6","0.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H42 B10 N2 Si -","- C27 H42 B10 N2 Si -","- C108 H168 B40 N8 Si4 -","4","1","","Harmgarth, Nicole; Gräsing, Daniel; Dröse, Peter; Hrib, Cristian G.; Jones, Peter G.; Lorenz, Volker; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Novel inorganic heterocycles from dimetalated carboranylamidinates.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5001","5013","10.1039/c3dt52751d","","","1.54184","CuKα","","0.0276","0.0275","","","0.0734","0.0735","","","","","","1.021","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029299","12.608","0.003","10.454","0.002","24.129","0.005","90","","90","","90","","3180.3","1.2","100","2","100","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C29 H50 B10 N2 O Ti -","- C29 H50 B10 N2 O Ti -","- C116 H200 B40 N8 O4 Ti4 -","4","1","","Harmgarth, Nicole; Gräsing, Daniel; Dröse, Peter; Hrib, Cristian G.; Jones, Peter G.; Lorenz, Volker; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Novel inorganic heterocycles from dimetalated carboranylamidinates.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5001","5013","10.1039/c3dt52751d","","","1.5418","CuKα","","0.0487","0.0466","","","0.1237","0.1257","","","","","","1.033","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029300","10.4438","0.0004","10.7747","0.0004","13.2968","0.0006","107.827","0.004","96.672","0.004","93.456","0.003","1407.49","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H42 B10 N2 Zr -","- C25 H42 B10 N2 Zr -","- C50 H84 B20 N4 Zr2 -","2","1","","Harmgarth, Nicole; Gräsing, Daniel; Dröse, Peter; Hrib, Cristian G.; Jones, Peter G.; Lorenz, Volker; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Novel inorganic heterocycles from dimetalated carboranylamidinates.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5001","5013","10.1039/c3dt52751d","","","1.54184","CuKα","","0.0392","0.0373","","","0.0946","0.0967","","","","","","1.039","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029301","14.9436","0.0012","13.3925","0.001","16.7499","0.0013","90","","90","","90","","3352.2","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H22 B10 Co2 -","- C12 H22 B10 Co2 -","- C96 H176 B80 Co16 -","8","1","","McAnaw, Amelia; Lopez, Maria Elena; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Asymmetric 1,8/13,2,x-M2C2B10 14-vertex metallacarboranes by direct electrophilic insertion reactions; the VCD and BHD methods in critical analysis of cage C atom positions.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5095","5105","10.1039/c3dt52101j","","","0.71073","MoKα","","0.0654","0.0611","","","0.1447","0.1461","","","","","","1.351","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029302","10.813","0.004","13.146","0.006","13.159","0.005","90","","96.62","0.016","90","","1858.1","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 B10 Co2 O -","- C14 H26 B10 Co2 O -","- C56 H104 B40 Co8 O4 -","4","1","","McAnaw, Amelia; Lopez, Maria Elena; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Asymmetric 1,8/13,2,x-M2C2B10 14-vertex metallacarboranes by direct electrophilic insertion reactions; the VCD and BHD methods in critical analysis of cage C atom positions.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5095","5105","10.1039/c3dt52101j","","","0.71073","MoKα","","0.1039","0.045","","","0.0898","0.1153","","","","","","0.988","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029303","7.4419","0.0004","10.1756","0.0006","12.2035","0.0007","90.288","0.003","103.174","0.003","111.022","0.003","836.07","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H22 B10 Co2 -","- C12 H22 B10 Co2 -","- C24 H44 B20 Co4 -","2","1","","McAnaw, Amelia; Lopez, Maria Elena; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Asymmetric 1,8/13,2,x-M2C2B10 14-vertex metallacarboranes by direct electrophilic insertion reactions; the VCD and BHD methods in critical analysis of cage C atom positions.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5095","5105","10.1039/c3dt52101j","","","0.71073","MoKα","","0.0386","0.0291","","","0.0669","0.071","","","","","","1.02","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029304","7.6842","0.0008","11.0372","0.0011","11.7319","0.0012","93.13","0.005","95.145","0.005","98.582","0.005","977.56","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H24 B10 Cl2 Co2 -","- C13 H24 B10 Cl2 Co2 -","- C26 H48 B20 Cl4 Co4 -","2","1","","McAnaw, Amelia; Lopez, Maria Elena; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Asymmetric 1,8/13,2,x-M2C2B10 14-vertex metallacarboranes by direct electrophilic insertion reactions; the VCD and BHD methods in critical analysis of cage C atom positions.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5095","5105","10.1039/c3dt52101j","","","0.71073","MoKα","","0.1294","0.0392","","","0.1029","0.1356","","","","","","1.182","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029305","7.7083","0.0006","11.3413","0.0009","9.9968","0.0008","90","","109.9","0.004","90","","821.76","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H22 B10 Co2 -","- C12 H22 B10 Co2 -","- C24 H44 B20 Co4 -","2","1","","McAnaw, Amelia; Lopez, Maria Elena; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Asymmetric 1,8/13,2,x-M2C2B10 14-vertex metallacarboranes by direct electrophilic insertion reactions; the VCD and BHD methods in critical analysis of cage C atom positions.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5095","5105","10.1039/c3dt52101j","","","0.71073","MoKα","","0.0648","0.0469","","","0.1026","0.112","","","","","","1.029","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029306","14.8157","0.0018","13.3179","0.0018","16.818","0.002","90","","90","","90","","3318.4","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H22 B10 Co2 -","- C12 H22 B10 Co2 -","- C96 H176 B80 Co16 -","8","1","","McAnaw, Amelia; Lopez, Maria Elena; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Asymmetric 1,8/13,2,x-M2C2B10 14-vertex metallacarboranes by direct electrophilic insertion reactions; the VCD and BHD methods in critical analysis of cage C atom positions.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5095","5105","10.1039/c3dt52101j","","","0.71073","MoKα","","0.0429","0.0323","","","0.0791","0.084","","","","","","1.024","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029307","7.111","0.0007","9.6524","0.0008","12.4183","0.0008","104.922","0.006","104.856","0.007","103.257","0.008","755.24","0.12","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 B10 N O -","- C9 H17 B10 N O -","- C18 H34 B20 N2 O2 -","2","1","","Nie, Yong; Wang, Yafeng; Miao, Jinling; Bian, Deqian; Zhang, Zhenwei; Cui, Yu; Sun, Guoxin","Syntheses and structural characterization of o-carboranylamides with direct cage-amide bond.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5083","5094","10.1039/c3dt52785a","","","0.7107","MoKα","","0.0935","0.059","","","0.1537","0.1761","","","","","","1.031","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029308","11.6375","0.0006","10.1626","0.0006","27.496","0.002","90","","90","","90","","3251.9","0.3","293","2","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H23 B10 N O -","- C8 H23 B10 N O -","- C64 H184 B80 N8 O8 -","8","1","","Nie, Yong; Wang, Yafeng; Miao, Jinling; Bian, Deqian; Zhang, Zhenwei; Cui, Yu; Sun, Guoxin","Syntheses and structural characterization of o-carboranylamides with direct cage-amide bond.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5083","5094","10.1039/c3dt52785a","","","0.7107","MoKα","","0.1169","0.0744","","","0.2061","0.238","","","","","","1.044","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029309","6.735","0.002","11.253","0.004","11.649","0.004","114.63","0.03","90.84","0.03","106.42","0.03","760.9","0.5","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 B10 F N O -","- C9 H16 B10 F N O -","- C18 H32 B20 F2 N2 O2 -","2","1","","Nie, Yong; Wang, Yafeng; Miao, Jinling; Bian, Deqian; Zhang, Zhenwei; Cui, Yu; Sun, Guoxin","Syntheses and structural characterization of o-carboranylamides with direct cage-amide bond.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5083","5094","10.1039/c3dt52785a","","","0.7107","MoKα","","0.0986","0.0623","","","0.1672","0.2001","","","","","","1.077","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029310","7.2249","0.0002","22.8107","0.001","10.5504","0.0004","90","","109.334","0.004","90","","1640.7","0.11","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 B10 I N O -","- C9 H16 B10 I N O -","- C36 H64 B40 I4 N4 O4 -","4","1","","Nie, Yong; Wang, Yafeng; Miao, Jinling; Bian, Deqian; Zhang, Zhenwei; Cui, Yu; Sun, Guoxin","Syntheses and structural characterization of o-carboranylamides with direct cage-amide bond.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5083","5094","10.1039/c3dt52785a","","","0.7107","MoKα","","0.0456","0.034","","","0.0744","0.0806","","","","","","1.044","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029311","7.1169","0.0006","8.6634","0.0005","25.2552","0.0015","90","","90","","90","","1557.15","0.18","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 B10 N2 O -","- C10 H16 B10 N2 O -","- C40 H64 B40 N8 O4 -","4","1","","Nie, Yong; Wang, Yafeng; Miao, Jinling; Bian, Deqian; Zhang, Zhenwei; Cui, Yu; Sun, Guoxin","Syntheses and structural characterization of o-carboranylamides with direct cage-amide bond.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5083","5094","10.1039/c3dt52785a","","","0.7107","MoKα","","0.1019","0.0606","","","0.1135","0.132","","","","","","1.028","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029312","10.9013","0.001","15.5194","0.001","14.2472","0.001","90","","98.225","0.007","90","","2385.6","0.3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 B10 N2 O4 -","- C18 H26 B10 N2 O4 -","- C72 H104 B40 N8 O16 -","4","1","","Nie, Yong; Wang, Yafeng; Miao, Jinling; Bian, Deqian; Zhang, Zhenwei; Cui, Yu; Sun, Guoxin","Syntheses and structural characterization of o-carboranylamides with direct cage-amide bond.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5083","5094","10.1039/c3dt52785a","","","0.7107","MoKα","","0.1235","0.0704","","","0.1693","0.2088","","","","","","1.036","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029313","11.4931","0.0016","18.88","0.002","8.6737","0.001","90","","110.802","0.013","90","","1759.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 B10 N S -","- C11 H21 B10 N S -","- C44 H84 B40 N4 S4 -","4","1","","Nie, Yong; Wang, Yafeng; Miao, Jinling; Bian, Deqian; Zhang, Zhenwei; Cui, Yu; Sun, Guoxin","Syntheses and structural characterization of o-carboranylamides with direct cage-amide bond.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5083","5094","10.1039/c3dt52785a","","","0.7107","MoKα","","0.0939","0.0601","","","0.1508","0.1812","","","","","","1.036","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029314","13.4347","0.0009","31.954","0.002","33.272","0.002","90","","90","","90","","14283.4","1.6","153","2","153","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C26 H26 Ga N16 S2 -","- C26 H26 Ga N16 S2 -","- C416 H416 Ga16 N256 S32 -","16","","","Zhang, Nan; Tai, Yanxue; Li, Mingxue; Ma, Pengtao; Zhao, Junwei; Niu, Jingyang","Main group bismuth(iii), gallium(iii) and diorganotin(iv) complexes derived from bis(2-acetylpyrazine)thiocarbonohydrazone: synthesis, crystal structures and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5182","5189","10.1039/c4dt00077c","","","0.71073","MoKα","","0.0561","0.0373","","","0.0905","0.0956","","","","","","1.021","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029315","10.916","0.002","11.864","0.0018","14.183","0.002","86.149","0.003","69.356","0.002","67.672","0.003","1585.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H33 N9 O3 S Sn -","- C30 H33 N9 O3 S Sn -","- C60 H66 N18 O6 S2 Sn2 -","2","1","","Zhang, Nan; Tai, Yanxue; Li, Mingxue; Ma, Pengtao; Zhao, Junwei; Niu, Jingyang","Main group bismuth(iii), gallium(iii) and diorganotin(iv) complexes derived from bis(2-acetylpyrazine)thiocarbonohydrazone: synthesis, crystal structures and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5182","5189","10.1039/c4dt00077c","","","0.71073","MoKα","","0.072","0.0515","","","0.1166","0.1237","","","","","","1.054","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029316","11.5068","0.0013","11.6106","0.0013","11.7113","0.0013","65.249","0.001","67.534","0.001","84.964","0.001","1308.2","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H29 B10 Ir N2 O2 S2 -","- C18 H29 B10 Ir N2 O2 S2 -","- C36 H58 B20 Ir2 N4 O4 S4 -","2","1","","Zhong, Wei; Jiang, Qibai; Zhang, Qian; Shang, Yi; Yan, Hong; Bregadze, Vladimir","Radical coupling for directed C-C/C-S bond formation in the reaction of Cp*IrS2C2B10H10 with 1-azido-3-nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4962","4968","10.1039/c3dt52308j","","","0.71073","MoKα","","0.0621","0.0601","","","0.1613","0.163","","","","","","1.039","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029317","10.609","0.003","19.715","0.006","13.552","0.004","90","","110.844","0.004","90","","2649","1.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 B10 Ir N2 O2 S2 -","- C18 H29 B10 Ir N2 O2 S2 -","- C72 H116 B40 Ir4 N8 O8 S8 -","4","1","","Zhong, Wei; Jiang, Qibai; Zhang, Qian; Shang, Yi; Yan, Hong; Bregadze, Vladimir","Radical coupling for directed C-C/C-S bond formation in the reaction of Cp*IrS2C2B10H10 with 1-azido-3-nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4962","4968","10.1039/c3dt52308j","","","0.71073","MoKα","","0.0462","0.0274","","","0.0416","0.0432","","","","","","0.981","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029318","11.7159","0.0013","14.4682","0.0016","17.9172","0.0019","69.271","0.002","72.654","0.002","72.994","0.002","2651.2","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H29 B10 Ir N2 O2 S2 -","- C18 H29 B10 Ir N2 O2 S2 -","- C72 H116 B40 Ir4 N8 O8 S8 -","4","2","","Zhong, Wei; Jiang, Qibai; Zhang, Qian; Shang, Yi; Yan, Hong; Bregadze, Vladimir","Radical coupling for directed C-C/C-S bond formation in the reaction of Cp*IrS2C2B10H10 with 1-azido-3-nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4962","4968","10.1039/c3dt52308j","","","0.71073","MoKα","","0.0428","0.0344","","","0.0871","0.0909","","","","","","1.063","","","","has coordinates,has disorder","179999","2020-10-21","18:00:00",""
"7029319","15.1459","0.0017","19.412","0.002","15.4035","0.0017","90","","117.885","0.001","90","","4003","0.8","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H88 B20 Ir2 N8 O11 S4 -","- C56 H88 B20 Ir2 N8 O11 S4 -","- C112 H176 B40 Ir4 N16 O22 S8 -","2","0.5","","Zhong, Wei; Jiang, Qibai; Zhang, Qian; Shang, Yi; Yan, Hong; Bregadze, Vladimir","Radical coupling for directed C-C/C-S bond formation in the reaction of Cp*IrS2C2B10H10 with 1-azido-3-nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4962","4968","10.1039/c3dt52308j","","","0.71073","MoKα","","0.055","0.0396","","","0.092","0.0967","","","","","","1.049","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029320","22.174","0.004","11.138","0.002","29.537","0.006","90","","106.161","0.004","90","","7007","2","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H69 B20 Ir2 N8 O10 S4 -","- C48 H69 B20 Ir2 N8 O10 S4 -","- C192 H276 B80 Ir8 N32 O40 S16 -","4","1","","Zhong, Wei; Jiang, Qibai; Zhang, Qian; Shang, Yi; Yan, Hong; Bregadze, Vladimir","Radical coupling for directed C-C/C-S bond formation in the reaction of Cp*IrS2C2B10H10 with 1-azido-3-nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4962","4968","10.1039/c3dt52308j","","","0.71073","MoKα","","0.056","0.0414","","","0.0888","0.0941","","","","","","1.061","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029321","11.0515","0.0011","15.1858","0.0014","21.9777","0.0017","90","","120.189","0.003","90","","3188.2","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 B10 Ir N4 O4 S2 -","- C24 H33 B10 Ir N4 O4 S2 -","- C96 H132 B40 Ir4 N16 O16 S8 -","4","1","","Zhong, Wei; Jiang, Qibai; Zhang, Qian; Shang, Yi; Yan, Hong; Bregadze, Vladimir","Radical coupling for directed C-C/C-S bond formation in the reaction of Cp*IrS2C2B10H10 with 1-azido-3-nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4962","4968","10.1039/c3dt52308j","","","0.71073","MoKα","","0.0399","0.0284","","","0.0609","0.0639","","","","","","1.004","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029322","10.05","0.002","7.5783","0.0015","22.381","0.006","90","","110.4","0.03","90","","1597.7","0.7","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 B10 O2 -","- C11 H20 B10 O2 -","- C44 H80 B40 O8 -","4","1","","Biying, Algin Oh; Vangala, Venu R.; Chen, Chia Sze; Stubs, Ludger Paul; Hosmane, Narayan S.; Yinghuai, Zhu","Cross-coupling reaction between arylboronic acids and carboranyl iodides catalyzed by graphene oxide (GO)-supported Pd(0) recyclable nanoparticles for the synthesis of carboranylaryl ketones.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5014","5020","10.1039/c3dt52560k","","","0.71073","MoKα","","0.0563","0.0541","","","0.1462","0.1487","","","","","","1.114","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029323","11.6357","0.0009","9.7575","0.0008","31.537","0.004","90","","90","","90","","3580.6","0.6","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H30 B10 O2 -","- C11 H30 B10 O2 -","- C88 H240 B80 O16 -","8","1","","Neumann, Wilma; Hiller, Markus; Lönnecke, Peter; Hey-Hawkins, Evamarie","Reduction of hydroxy-functionalised carbaboranyl carboxylic acids to tertiary alcohols by organolithium reagents.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4935","4937","10.1039/c3dt52826j","","","0.71073","MoKα","","0.1001","0.0529","","","0.1129","0.1356","","","","","","1.012","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029324","17.4672","0.0012","15.9393","0.001","17.5903","0.0011","90","","119.342","0.001","90","","4269.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H25 B11 Ge N2 -","- C15 H25 B11 Ge N2 -","- C120 H200 B88 Ge8 N16 -","8","2","","Zheng, Fangrui; Xie, Zuowei","Synthesis and structural characterization of 14-vertex germa-, stanna-, and plumba-carboranes.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4986","4992","10.1039/c3dt52406j","","","0.71073","MoKα","","0.1089","0.0497","","","0.0969","0.1197","","","","","","1.008","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029325","8.2594","0.0004","11.4681","0.0006","13.2891","0.0006","89.213","0.003","75.426","0.003","71.489","0.003","1152.2","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H29 B11 Ge N2 -","- C17 H29 B11 Ge N2 -","- C34 H58 B22 Ge2 N4 -","2","1","","Zheng, Fangrui; Xie, Zuowei","Synthesis and structural characterization of 14-vertex germa-, stanna-, and plumba-carboranes.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4986","4992","10.1039/c3dt52406j","","","1.54178","CuKα","","0.0455","0.042","","","0.1269","0.1314","","","","","","1.029","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029326","8.3976","0.0009","23.586","0.003","10.8545","0.0012","90","","94.614","0.003","90","","2142.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 B11 Ge N2 -","- C17 H25 B11 Ge N2 -","- C68 H100 B44 Ge4 N8 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Synthesis and structural characterization of 14-vertex germa-, stanna-, and plumba-carboranes.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4986","4992","10.1039/c3dt52406j","","","0.71073","MoKα","","0.061","0.0475","","","0.121","0.134","","","","","","1.039","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029327","8.5813","0.0011","15.991","0.002","15.854","0.002","90","","91.174","0.002","90","","2175.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H25 B11 N2 Sn -","- C15 H25 B11 N2 Sn -","- C60 H100 B44 N8 Sn4 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Synthesis and structural characterization of 14-vertex germa-, stanna-, and plumba-carboranes.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4986","4992","10.1039/c3dt52406j","","","0.71073","MoKα","","0.0808","0.0724","","","0.2291","0.2317","","","","","","1.189","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029328","12.8513","0.0007","12.7936","0.0006","21.5982","0.0011","90","","103.502","0.001","90","","3452.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H41 B11 P2 Sn -","- C31 H41 B11 P2 Sn -","- C124 H164 B44 P8 Sn4 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Synthesis and structural characterization of 14-vertex germa-, stanna-, and plumba-carboranes.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4986","4992","10.1039/c3dt52406j","","","0.71073","MoKα","","0.0534","0.0367","","","0.0841","0.094","","","","","","0.988","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029329","15.722","0.003","17.815","0.004","23.47","0.005","106.782","0.004","96.41","0.004","94.265","0.004","6215","2","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C86 H124 B27 Cl10 F9 N3 O9 P6 Rh3 S6 -","- C86 H121 B27 Cl10 F9 N3 O9 P6 Rh3 S6 -","- C172 H242 B54 Cl20 F18 N6 O18 P12 Rh6 S12 -","2","1","","Calvo, Beatriz; Macías, Ramón; Artigas, Maria Jose; Lahoz, Fernando J.; Oro, Luis A.","Unusual cationic rhodathiaboranes: synthesis and characterization of [8,8,8-(H)(PR3)2-9-(Py)-nido-8,7-RhSB9H10](+) and [1,3-μ-(H)-1,1-(PR3)2-3-(Py)-isonido-1,2-RhSB9H8](+).","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5121","5133","10.1039/c3dt52018h","","","0.71073","MoKα","","0.1838","0.0747","","","0.1485","0.1906","","","","","","0.978","","","","has coordinates,has disorder","179999","2020-10-21","18:00:00",""
"7029330","30.936","0.005","17.832","0.003","15.995","0.003","90","","106.754","0.002","90","","8449","3","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C33 H51 B9 F3 N O4 P2 Rh S2 -","- C33 H50 B9 F3 N O4 P2 Rh S2 -","- C264 H400 B72 F24 N8 O32 P16 Rh8 S16 -","8","1","","Calvo, Beatriz; Macías, Ramón; Artigas, Maria Jose; Lahoz, Fernando J.; Oro, Luis A.","Unusual cationic rhodathiaboranes: synthesis and characterization of [8,8,8-(H)(PR3)2-9-(Py)-nido-8,7-RhSB9H10](+) and [1,3-μ-(H)-1,1-(PR3)2-3-(Py)-isonido-1,2-RhSB9H8](+).","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5121","5133","10.1039/c3dt52018h","","","0.71073","MoKα","","0.0517","0.0371","","","0.0884","0.0969","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029331","11.4869","0.001","11.6934","0.0011","6.8962","0.0006","90","","90","","90","","926.3","0.14","173","2","173","2","","","","","","","","3","P n n 2","P 2 -2n","34","","1,2-bis(1,2-dicarba-closo-dodecaborane(11)-8-yl)ethyne","","- C6 H22 B20 -","- C6 H22 B20 -","- C12 H44 B40 -","2","0.5","","Safronov, Alexander V.; Sevryugina, Yulia V.; Pichaandi, Kothanda Rama; Jalisatgi, Satish S.; Hawthorne, M. Frederick","Synthesis of closo- and nido-biscarboranes with rigid unsaturated linkers as precursors to linear metallacarborane-based molecular rods.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4969","4977","10.1039/c3dt52596a","","","0.71073","MoKα","","0.076","0.0687","","","0.1714","0.1791","","","","","","1.189","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029332","7.1373","0.0005","11.1008","0.0008","13.1767","0.001","90","","92.339","0.001","90","","1043.12","0.13","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(1,2-dicarba-closo-dodecaborane-8-yl)benzene","","- C10 H26 B20 -","- C10 H26 B20 -","- C20 H52 B40 -","2","0.5","","Safronov, Alexander V.; Sevryugina, Yulia V.; Pichaandi, Kothanda Rama; Jalisatgi, Satish S.; Hawthorne, M. Frederick","Synthesis of closo- and nido-biscarboranes with rigid unsaturated linkers as precursors to linear metallacarborane-based molecular rods.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4969","4977","10.1039/c3dt52596a","","","0.71073","MoKα","","0.0713","0.0489","","","0.1145","0.1257","","","","","","1.057","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029333","23.4549","0.0009","11.1387","0.0004","23.2584","0.0009","90","","111.488","0.002","90","","5654.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-bis(1,2-dicarba-closo-dodecaborane(11)-8yl-ethynyl)benzene, chloroform solvate","","- C15 H27 B20 Cl3 -","- C15 H27 B20 Cl3 -","- C120 H216 B160 Cl24 -","8","2","","Safronov, Alexander V.; Sevryugina, Yulia V.; Pichaandi, Kothanda Rama; Jalisatgi, Satish S.; Hawthorne, M. Frederick","Synthesis of closo- and nido-biscarboranes with rigid unsaturated linkers as precursors to linear metallacarborane-based molecular rods.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4969","4977","10.1039/c3dt52596a","","","0.71073","MoKα","","0.1176","0.0582","","","0.1481","0.18","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7029334","6.72","0.0008","12.6135","0.0015","12.0553","0.0014","90","","100.506","0.002","90","","1004.7","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-bis(1,2-dicarba-closo-dodecaborane(11)-8-yl)butadiyne","","- C8 H22 B20 -","- C8 H22 B20 -","- C16 H44 B40 -","2","0.5","","Safronov, Alexander V.; Sevryugina, Yulia V.; Pichaandi, Kothanda Rama; Jalisatgi, Satish S.; Hawthorne, M. Frederick","Synthesis of closo- and nido-biscarboranes with rigid unsaturated linkers as precursors to linear metallacarborane-based molecular rods.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4969","4977","10.1039/c3dt52596a","","","0.71073","MoKα","","0.065","0.0518","","","0.1354","0.1443","","","","","","1.079","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029335","14.8236","0.0017","18.229","0.002","19.262","0.002","90","","100.12","0.002","90","","5124","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tetrabutylammonium bis(undecahydro-7,8-dicarba -nido-decaborate(1-)-1-yl)ethyne","","- C38 H94 B18 N2 -","- C38 H94 B18 N2 -","- C152 H376 B72 N8 -","4","1","","Safronov, Alexander V.; Sevryugina, Yulia V.; Pichaandi, Kothanda Rama; Jalisatgi, Satish S.; Hawthorne, M. Frederick","Synthesis of closo- and nido-biscarboranes with rigid unsaturated linkers as precursors to linear metallacarborane-based molecular rods.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4969","4977","10.1039/c3dt52596a","","","0.71073","MoKα","","0.1974","0.077","","","0.1491","0.2024","","","","","","1.001","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7029336","10.9742","0.0016","15.71","0.002","16.935","0.003","90","","90.556","0.003","90","","2919.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tetrabutylammonium 1,4-bis(1-ethynyl-undecahydro- 7,8-dicarba-nido-decaborate(1-))benzene","","- C46 H98 B18 N2 -","- C46 H98.06 B18 N2 -","- C92 H196.12 B36 N4 -","2","0.5","","Safronov, Alexander V.; Sevryugina, Yulia V.; Pichaandi, Kothanda Rama; Jalisatgi, Satish S.; Hawthorne, M. Frederick","Synthesis of closo- and nido-biscarboranes with rigid unsaturated linkers as precursors to linear metallacarborane-based molecular rods.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4969","4977","10.1039/c3dt52596a","","","0.71073","MoKα","","0.158","0.0702","","","0.1771","0.2187","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7029337","25.247","0.003","13.783","0.0014","23.808","0.002","90","","95.776","0.002","90","","8242.6","1.5","187","2","187","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H39 Ag7 N24 O65 P2 W18 -","- C24 H32 Ag7 N24 O63 P2 W18 -","- C96 H128 Ag28 N96 O252 P8 W72 -","4","1","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","Three 3D silver-bis(triazole) metal-organic frameworks stabilized by high-connected Wells-Dawson polyoxometallates.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5211","5220","10.1039/c3dt53437e","","","0.71069","MoKα","","0.0781","0.0763","","","0.2505","0.2524","","","","","","1.103","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029338","16.6392","0.0007","23.1775","0.001","24.5939","0.0011","90","","95.935","0.001","90","","9433.9","0.7","187","2","187","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 Ag7 N30 O63 P2 W18 -","- C35 H46 Ag7 N30 O63 P2 W18 -","- C140 H184 Ag28 N120 O252 P8 W72 -","4","1","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","Three 3D silver-bis(triazole) metal-organic frameworks stabilized by high-connected Wells-Dawson polyoxometallates.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5211","5220","10.1039/c3dt53437e","","","0.71073","MoKα","","0.0733","0.0506","","","0.1086","0.1128","","","","","","1.458","","","","has coordinates,has disorder","179999","2020-10-21","18:00:00",""
"7029339","14.5056","0.0008","14.8981","0.0008","22.9934","0.0013","90.534","0.001","92.844","0.001","104.153","0.001","4811.1","0.5","187","2","187","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H60 Ag4 N27 O64 P2 W18 -","- C36 H54 Ag4 N27 O64 P2 W18 -","- C72 H108 Ag8 N54 O128 P4 W36 -","2","1","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","Three 3D silver-bis(triazole) metal-organic frameworks stabilized by high-connected Wells-Dawson polyoxometallates.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5211","5220","10.1039/c3dt53437e","","","0.71073","MoKα","","0.094","0.0849","","","0.2343","0.2452","","","","","","1.056","","","","has coordinates,has disorder","179999","2020-10-21","18:00:00",""
"7029340","11.244","0.004","11.832","0.004","15.257","0.005","72.87","0.004","71.415","0.004","86.425","0.004","1837.5","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H46 B20 Ir P S -","- C26 H46 B20 Ir P S -","- C52 H92 B40 Ir2 P2 S2 -","2","1","","Yao, Zi-Jian; Lin, Yue-Jian; Xu, Bin; Jin, Guo-Xin","Nucleophilic addition of carborane anion to Ir, Rh-coordinated Cp* ring: C-C bond formation accompanied by reduction of metal center.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4938","4940","10.1039/c3dt51906f","","","0.71073","MoKα","","0.0391","0.0349","","","0.0861","0.0879","","","","","","1.011","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029341","11.212","0.005","11.898","0.005","15.278","0.006","72.745","0.005","71.626","0.005","86.357","0.005","1846.1","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H46 B20 P Rh S -","- C26 H46 B20 P Rh S -","- C52 H92 B40 P2 Rh2 S2 -","2","1","","Yao, Zi-Jian; Lin, Yue-Jian; Xu, Bin; Jin, Guo-Xin","Nucleophilic addition of carborane anion to Ir, Rh-coordinated Cp* ring: C-C bond formation accompanied by reduction of metal center.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4938","4940","10.1039/c3dt51906f","","","0.71073","MoKα","","0.0542","0.045","","","0.1273","0.1386","","","","","","1.052","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029342","12.013","0.004","29.317","0.009","12.157","0.004","90","","96.824","0.004","90","","4251","2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H48 B20 Cl2 P Rh S2 -","- C26 H46 B20 P Rh S2 -","- C104 H184 B80 P4 Rh4 S8 -","4","2","","Yao, Zi-Jian; Lin, Yue-Jian; Xu, Bin; Jin, Guo-Xin","Nucleophilic addition of carborane anion to Ir, Rh-coordinated Cp* ring: C-C bond formation accompanied by reduction of metal center.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4938","4940","10.1039/c3dt51906f","","","0.71073","MoKα","","0.0579","0.0419","","","0.092","0.0968","","","","","","0.923","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029343","14.916","0.009","11.926","0.007","27.143","0.015","90","","101.332","0.009","90","","4734","5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 B20 Cl4 P Rh S3 -","- C26 H46 B20 P Rh S3 -","- C104 H184 B80 P4 Rh4 S12 -","4","1","","Yao, Zi-Jian; Lin, Yue-Jian; Xu, Bin; Jin, Guo-Xin","Nucleophilic addition of carborane anion to Ir, Rh-coordinated Cp* ring: C-C bond formation accompanied by reduction of metal center.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4938","4940","10.1039/c3dt51906f","","","0.71073","MoKα","","0.1172","0.0641","","","0.1411","0.1522","","","","","","0.812","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029344","12.6418","0.0005","14.1465","0.0005","17.4999","0.0007","90","","90","","90","","3129.6","0.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H21 B9 S -","- C10 H21 B9 S -","- C80 H168 B72 S8 -","8","1","","Zakharova, Maria V.; Sivaev, Igor B.; Anufriev, Sergey A.; Timofeev, Sergey V.; Suponitsky, Kyrill Yu; Godovikov, Ivan A.; Bregadze, Vladimir I.","A new approach to the synthesis of functional derivatives of nido-carborane: alkylation of [9-MeS-nido-7,8-C2B9H11](-).","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5044","5053","10.1039/c3dt52845f","","","0.71073","MoKα","","0.0771","0.0457","","","0.0995","0.1153","","","","","","1.096","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029345","9.4893","0.0008","15.3612","0.0013","10.6805","0.0009","90","","106.189","0.002","90","","1495.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H23 B9 O S -","- C7 H23 B9 O S -","- C28 H92 B36 O4 S4 -","4","1","","Zakharova, Maria V.; Sivaev, Igor B.; Anufriev, Sergey A.; Timofeev, Sergey V.; Suponitsky, Kyrill Yu; Godovikov, Ivan A.; Bregadze, Vladimir I.","A new approach to the synthesis of functional derivatives of nido-carborane: alkylation of [9-MeS-nido-7,8-C2B9H11](-).","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5044","5053","10.1039/c3dt52845f","","","0.71073","MoKα","","0.059","0.052","","","0.1213","0.1261","","","","","","0.989","","","","has coordinates,has disorder","179999","2020-10-21","18:00:00",""
"7029346","9.3802","0.0007","17.2947","0.0014","14.8255","0.0012","90","","93.867","0.002","90","","2399.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 B9 Rh -","- C22 H36 B9 Rh -","- C88 H144 B36 Rh4 -","4","1","","Galkin, K. I.; Dolgushin, F. M.; Smol'yakov, A. F.; Sergeeva, E. A.; Godovikov, I. A.; Chizhevsky, I. T.","Base-mediated transformation of the agostic (π-allyl)-closo-rhodacarboranes into complexes with an open (1-5-η(5))-pentadienyl ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5076","5082","10.1039/c3dt52838c","","","0.71073","MoKα","","0.1102","0.0511","","","0.1034","0.1268","","","","","","0.995","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029347","9.575","0.005","15.128","0.009","16.401","0.009","90","","90","","90","","2376","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 B9 Rh -","- C21 H36 B9 Rh -","- C84 H144 B36 Rh4 -","4","1","","Galkin, K. I.; Dolgushin, F. M.; Smol'yakov, A. F.; Sergeeva, E. A.; Godovikov, I. A.; Chizhevsky, I. T.","Base-mediated transformation of the agostic (π-allyl)-closo-rhodacarboranes into complexes with an open (1-5-η(5))-pentadienyl ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5076","5082","10.1039/c3dt52838c","","","0.71073","MoKα","","0.0318","0.0284","","","0.0632","0.0649","","","","","","1.002","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029348","12.2845","0.0011","19.8525","0.0014","14.8338","0.0013","90","","112.88","0.011","90","","3333","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H68 Cl6 Eu2 N24 O29 -","- C36 H68 Cl6 Eu2 N24 O29 -","- C72 H136 Cl12 Eu4 N48 O58 -","2","0.5","","da Silva, Fausthon F.; de Oliveira, Carlos A. F.; Falcão, Eduardo H L; Chojnacki, Jaroslaw; Neves, Jorge L.; Alves, S.","New lanthanide-CB[6] coordination compounds: relationships between the crystal structure and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5435","5442","10.1039/c3dt52687a","","","0.71073","MoKα","","0.0709","0.0475","","","0.1164","0.1353","","","","","","1.041","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029349","12.2767","0.0009","19.8927","0.0011","14.8807","0.001","90","","112.937","0.008","90","","3346.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H68 Cl6 N24 O29 Sm2 -","- C36 H68 Cl6 N24 O29 Sm2 -","- C72 H136 Cl12 N48 O58 Sm4 -","2","0.5","","da Silva, Fausthon F.; de Oliveira, Carlos A. F.; Falcão, Eduardo H L; Chojnacki, Jaroslaw; Neves, Jorge L.; Alves, S.","New lanthanide-CB[6] coordination compounds: relationships between the crystal structure and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5435","5442","10.1039/c3dt52687a","","","0.71073","MoKα","","0.057","0.0496","","","0.1137","0.1189","","","","","","1.111","","","","has coordinates,has disorder","179999","2020-10-21","18:00:00",""
"7029350","12.1719","0.0002","19.6814","0.0002","14.7268","0.0002","90","","112.728","0.002","90","","3254.01","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H68 Cl6 N24 O29 Tb2 -","- C36 H68 Cl6 N24 O29 Tb2 -","- C72 H136 Cl12 N48 O58 Tb4 -","2","0.5","","da Silva, Fausthon F.; de Oliveira, Carlos A. F.; Falcão, Eduardo H L; Chojnacki, Jaroslaw; Neves, Jorge L.; Alves, S.","New lanthanide-CB[6] coordination compounds: relationships between the crystal structure and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5435","5442","10.1039/c3dt52687a","","","0.71073","MoKα","","0.0335","0.0304","","","0.0749","0.0778","","","","","","1.061","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029351","12.1396","0.0003","19.5834","0.0004","14.6748","0.0004","90","","112.69","0.003","90","","3218.7","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H68 Cl6 N24 O29 Tm2 -","- C36 H68 Cl6 N24 O29 Tm2 -","- C72 H136 Cl12 N48 O58 Tm4 -","2","0.5","","da Silva, Fausthon F.; de Oliveira, Carlos A. F.; Falcão, Eduardo H L; Chojnacki, Jaroslaw; Neves, Jorge L.; Alves, S.","New lanthanide-CB[6] coordination compounds: relationships between the crystal structure and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5435","5442","10.1039/c3dt52687a","","","0.71073","MoKα","","0.0429","0.0362","","","0.0883","0.0933","","","","","","1.081","","","","has coordinates,has disorder","179999","2020-10-21","18:00:00",""
"7029352","11.2383","0.0007","11.5516","0.0007","13.2395","0.0008","82.504","0.003","85.045","0.003","83.943","0.003","1689.95","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H27 Co N12 O3 -","- C36 H27 Co N12 O3 -","- C72 H54 Co2 N24 O6 -","2","1","","Pramanik, Shuvam; Roy, Sima; Ghorui, Tapas; Ganguly, Sanjib; Pramanik, Kausikisankar","Molecular and electronic structure of nonradical homoleptic pyridyl-azo-oxime complexes of cobalt(iii) and the azo-oxime anion radical congener: an experimental and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5317","5334","10.1039/c3dt53460j","","","0.71073","MoKα","","0.0805","0.0605","","","0.1719","0.1908","","","","","","1.005","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029353","35.618","0.0012","8.8888","0.0003","17.5969","0.0006","90","","111.657","0.004","90","","5177.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cl Co N8 O6 -","- C24 H18 Cl Co N8 O6 -","- C192 H144 Cl8 Co8 N64 O48 -","8","1","","Pramanik, Shuvam; Roy, Sima; Ghorui, Tapas; Ganguly, Sanjib; Pramanik, Kausikisankar","Molecular and electronic structure of nonradical homoleptic pyridyl-azo-oxime complexes of cobalt(iii) and the azo-oxime anion radical congener: an experimental and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5317","5334","10.1039/c3dt53460j","","","0.71073","MoKα","","0.1164","0.0701","","","0.1903","0.2186","","","","","","1.05","","","","has coordinates,has disorder","179999","2020-10-21","18:00:00",""
"7029354","10.9512","0.0004","27.0203","0.0009","13.016","0.0004","90","","101.549","0.003","90","","3773.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 N6 O16 Sm -","- C24 H52 N6 O16 Sm -","- C96 H208 N24 O64 Sm4 -","4","1","","Kannan, Shanmugaperumal; Vats, Bal Govind; Pius, Illipparambil C.; Noronha, Donald M.; Dhami, Prem S.; Naik, Prashant W.; Kumar, Mukesh","Extraction and structural studies of an unexplored monoamide, N,N'-dioctyl, α-hydroxy acetamide with lanthanide(iii) and actinide(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5252","5255","10.1039/c3dt53529k","","","1.5418","CuKα","","0.1076","0.0774","","","0.1987","0.2243","","","","","","1.062","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029355","10.9253","0.0002","26.989","0.0005","13.0207","0.0003","90","","101.53","0.0019","90","","3761.84","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H53 Eu N6 O16 -","- C24 H53 Eu N6 O16 -","- C96 H212 Eu4 N24 O64 -","4","1","","Kannan, Shanmugaperumal; Vats, Bal Govind; Pius, Illipparambil C.; Noronha, Donald M.; Dhami, Prem S.; Naik, Prashant W.; Kumar, Mukesh","Extraction and structural studies of an unexplored monoamide, N,N'-dioctyl, α-hydroxy acetamide with lanthanide(iii) and actinide(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5252","5255","10.1039/c3dt53529k","","","1.5418","CuKα","","0.0801","0.0656","","","0.1673","0.1851","","","","","","1.109","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029356","10.602","0.001","13.5739","0.0012","13.6171","0.0013","96.686","0.001","107.126","0.001","112.851","0.002","1665.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 Cu N5 O6 -","- C16 H13 Cu N5 O6 -","- C64 H52 Cu4 N20 O24 -","4","2","","Cheng, Yi-Feng; Lu, Xiao-Ming; Wang, Guo","Cu(II) complexes with co-planar [Cu(II)(N-N)(HIMC(-))], their anti-cancer activities, ΔG, ΔE and solid luminescence.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5357","5363","10.1039/c3dt53221f","","","0.71073","MoKα","","0.0862","0.0472","","","0.1126","0.1413","","","","","","1.01","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029357","11.869","0.002","11.874","0.003","14.312","0.0018","74.121","0.002","78.329","0.003","79.146","0.001","1880.9","0.6","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 F3 N3 Ni O6 -","- C38 H32 F3 N3 Ni O6 -","- C76 H64 F6 N6 Ni2 O12 -","2","1","","Han, Jianlin; Ono, Taizo; Uekusa, Hidehiro; Klika, Karel D.; Soloshonok, Vadim A.","Substituent-controlled preference of carbonyl group-metal coordination in d(8) metal complexes with non-symmetric pentadentate ligands. Structural and stereochemical aspects.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5375","5381","10.1039/c3dt53312c","","","0.71073","MoKα","","0.0735","0.0572","","","0.1342","0.1395","","","","","","1.039","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7029358","9.648","0.004","13.897","0.006","16.27","0.007","66.87","0.007","74.393","0.007","87.648","0.008","1927","1.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 F3 N3 Ni O6 -","- C39 H32 F3 N3 Ni O6 -","- C78 H64 F6 N6 Ni2 O12 -","2","1","","Han, Jianlin; Ono, Taizo; Uekusa, Hidehiro; Klika, Karel D.; Soloshonok, Vadim A.","Substituent-controlled preference of carbonyl group-metal coordination in d(8) metal complexes with non-symmetric pentadentate ligands. Structural and stereochemical aspects.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5375","5381","10.1039/c3dt53312c","","","0.71073","MoKα","","0.0853","0.0552","","","0.0954","0.101","","","","","","0.98","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029359","10.9428","0.0002","23.9074","0.0004","26.1834","0.0005","90","","90","","90","","6849.9","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H30 F3 N3 O5 Pd -","- C39 H30 F3 N3 O5 Pd -","- C312 H240 F24 N24 O40 Pd8 -","8","1","","Han, Jianlin; Ono, Taizo; Uekusa, Hidehiro; Klika, Karel D.; Soloshonok, Vadim A.","Substituent-controlled preference of carbonyl group-metal coordination in d(8) metal complexes with non-symmetric pentadentate ligands. Structural and stereochemical aspects.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5375","5381","10.1039/c3dt53312c","","x-ray","1.54186","CuKα","","0.0997","0.0584","","","0.1344","0.1883","","","","","","1.109","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029360","11.5601","0.0011","12.3884","0.0015","17.6788","0.0017","84.091","0.007","81.737","0.006","86.887","0.009","2490.2","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 N5 Si2 Sm -","- C48 H80 N5 Si2 Sm -","- C96 H160 N10 Si4 Sm2 -","2","1","","Liu, Peng; Chen, Hongxia; Zhang, Yong; Xue, Mingqiang; Yao, Yingming; Shen, Qi","Synthesis of γ-amidine-functionalized dianionic β-diketiminato lanthanide amides and trianionic β-diketiminato Na/Sm heterobimetallic complexes and their reactivity in polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5586","5594","10.1039/c3dt52706a","","","0.71075","MoKα","","0.0653","0.0529","","","0.0866","0.0917","","","","","","1.117","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029361","11.4354","0.0003","12.4814","0.0003","19.2857","0.0005","99.15","0.002","101.425","0.002","92.695","0.002","2654.98","0.12","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H87 N5 Si2 Yb -","- C51 H80 N5 Si2 Yb -","- C102 H160 N10 Si4 Yb2 -","2","1","","Liu, Peng; Chen, Hongxia; Zhang, Yong; Xue, Mingqiang; Yao, Yingming; Shen, Qi","Synthesis of γ-amidine-functionalized dianionic β-diketiminato lanthanide amides and trianionic β-diketiminato Na/Sm heterobimetallic complexes and their reactivity in polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5586","5594","10.1039/c3dt52706a","","","0.7107","MoKα","","0.0416","0.0374","","","0.0878","0.0904","","","","","","1.041","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029362","11.4805","0.0007","12.4211","0.0012","17.54","0.0009","84.532","0.006","82.51","0.005","87.367","0.006","2467.2","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 N5 Si2 Y -","- C48 H80 N5 Si2 Y -","- C96 H160 N10 Si4 Y2 -","2","1","","Liu, Peng; Chen, Hongxia; Zhang, Yong; Xue, Mingqiang; Yao, Yingming; Shen, Qi","Synthesis of γ-amidine-functionalized dianionic β-diketiminato lanthanide amides and trianionic β-diketiminato Na/Sm heterobimetallic complexes and their reactivity in polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5586","5594","10.1039/c3dt52706a","","","0.7107","MoKα","","0.0617","0.044","","","0.0888","0.094","","","","","","1.03","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029363","11.5232","0.0002","12.4364","0.0002","17.5822","0.0003","84.5038","0.0014","82.1385","0.0015","87.1562","0.0014","2482.79","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 Gd N5 Si2 -","- C48 H80 Gd N5 Si2 -","- C96 H160 Gd2 N10 Si4 -","2","1","","Liu, Peng; Chen, Hongxia; Zhang, Yong; Xue, Mingqiang; Yao, Yingming; Shen, Qi","Synthesis of γ-amidine-functionalized dianionic β-diketiminato lanthanide amides and trianionic β-diketiminato Na/Sm heterobimetallic complexes and their reactivity in polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5586","5594","10.1039/c3dt52706a","","","0.7107","MoKα","","0.0224","0.021","","","0.0617","0.0623","","","","","","1.087","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029364","12.3799","0.001","23.828","0.002","39.619","0.003","90","","90","","90","","11687.1","1.6","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C50 H91 N5 Na O4 Si2 Sm -","- C50 H91 N5 Na O4 Si2 Sm -","- C400 H728 N40 Na8 O32 Si16 Sm8 -","8","1","","Liu, Peng; Chen, Hongxia; Zhang, Yong; Xue, Mingqiang; Yao, Yingming; Shen, Qi","Synthesis of γ-amidine-functionalized dianionic β-diketiminato lanthanide amides and trianionic β-diketiminato Na/Sm heterobimetallic complexes and their reactivity in polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5586","5594","10.1039/c3dt52706a","","","0.71075","MoKα","","0.1469","0.1198","","","0.1727","0.1822","","","","","","1.344","","","","has coordinates,has disorder","179999","2020-10-21","18:00:00",""
"7029365","16.02","0.03","17.8","0.03","19.23","0.04","113.17","0.04","95.82","0.04","106.81","0.04","4679","15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","MonoOxaCu2","","","- C198 H268 Cu4 N8 O23 -","- C197.68 H257.36 Cu4 N8 O22.98 -","- C197.68 H257.36 Cu4 N8 O22.98 -","1","0.5","","Fairbairn, Robyn E.; McLellan, Ross; McIntosh, Ruaraidh D.; Palacios, Maria A.; Brechin, Euan K.; Dalgarno, Scott J.","Oxacalix[4]arene-supported di-, tetra- and undecanuclear copper(ii) clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5292","5298","10.1039/c3dt53088d","","","0.71073","MoKα","","0.1487","0.0734","","","0.1734","0.2071","","","","","","1.029","","","","has coordinates,has disorder","179999","2020-10-21","18:00:00",""
"7029366","20.021","0.003","12.9755","0.0016","21.644","0.003","90","","104.916","0.006","90","","5433.3","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","MonOxaC4 Cu4","","","- C106 H152 Cu4 N4 O18 -","- C106 H152 Cu4 N4 O18 -","- C212 H304 Cu8 N8 O36 -","2","0.5","","Fairbairn, Robyn E.; McLellan, Ross; McIntosh, Ruaraidh D.; Palacios, Maria A.; Brechin, Euan K.; Dalgarno, Scott J.","Oxacalix[4]arene-supported di-, tetra- and undecanuclear copper(ii) clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5292","5298","10.1039/c3dt53088d","","","0.71073","MoKα","","0.1831","0.0862","","","0.1897","0.2307","","","","","","1.025","","","","has coordinates,has disorder","179999","2020-10-21","18:00:00",""
"7029367","13.5485","0.0007","14.4801","0.0007","18.8246","0.001","81.546","0.002","75.736","0.002","62.611","0.002","3175.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Cu11","","","- C114 H166 Cu11 N8 O36 -","- C114 H166 Cu11 N8 O36 -","- C114 H166 Cu11 N8 O36 -","1","0.5","","Fairbairn, Robyn E.; McLellan, Ross; McIntosh, Ruaraidh D.; Palacios, Maria A.; Brechin, Euan K.; Dalgarno, Scott J.","Oxacalix[4]arene-supported di-, tetra- and undecanuclear copper(ii) clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5292","5298","10.1039/c3dt53088d","","","0.71073","MoKα","","0.1784","0.0868","","","0.2107","0.2404","","","","","","1.271","","","","has coordinates,has disorder","179999","2020-10-21","18:00:00",""
"7029368","11.59","0.003","17.073","0.005","17.299","0.005","90","0.005","108.696","0.004","90","0.005","3242.4","1.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Co N12 -","- C12 H13 Co N12 -","- C96 H104 Co8 N96 -","8","2","","Panja, Anangamohan; Shyamal, Milan; Saha, Amrita; Mandal, Tarun Kanti","Methylene bridge regulated geometrical preferences of ligands in cobalt(iii) coordination chemistry and phenoxazinone synthase mimicking activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5443","5452","10.1039/c3dt52597j","","","0.71073","MoKα","","0.1172","0.0922","","","0.228","0.246","","","","","","1.028","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029369","8.444","0.0007","12.3232","0.001","8.7986","0.0007","90","","114.066","0.006","90","","835.97","0.12","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 Co N12 -","- C13 H15 Co N12 -","- C26 H30 Co2 N24 -","2","1","","Panja, Anangamohan; Shyamal, Milan; Saha, Amrita; Mandal, Tarun Kanti","Methylene bridge regulated geometrical preferences of ligands in cobalt(iii) coordination chemistry and phenoxazinone synthase mimicking activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5443","5452","10.1039/c3dt52597j","","","0.71073","MoKα","","0.1106","0.0655","","","0.1436","0.1669","","","","","","0.964","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029370","7.1693","0.0014","9.5474","0.0019","19.925","0.004","90","","96.41","0.03","90","","1355.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 I2 S4 -","- C9 H6 I2 S4 -","- C36 H24 I8 S16 -","4","1","","Shin, Kyoung-Soon; Jeannin, Olivier; Brezgunova, Mariya; Dahaoui, Slimane; Aubert, Emmanuel; Espinosa, Enrique; Auban-Senzier, Pascale; Swietlik, Roman; Frąckowiak, Arkadiusz; Fourmigué, Marc","Inter-layer charge disproportionation in the dual-layer organic metal (tTTF-I)2ClO4 with unsymmetrical IO halogen bond interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5280","5291","10.1039/c3dt52801d","","","0.71073","MoKα","","0.0434","0.0314","","","0.0653","0.0702","","","","","","1.076","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029371","8.4339","0.0001","8.4826","0.0001","12.9439","0.0001","83.075","0.004","77.921","0.005","73.856","0.004","867.89","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","tTTF-I,ClO4,CH2Cl2","trimethyleneiodotetrathiafulvalenium perchlorate, dichloromethane solvate","","- C10 H9 Cl3 I O4 S4 -","- C10 H9 Cl3 I O4 S4 -","- C20 H18 Cl6 I2 O8 S8 -","2","1","","Shin, Kyoung-Soon; Jeannin, Olivier; Brezgunova, Mariya; Dahaoui, Slimane; Aubert, Emmanuel; Espinosa, Enrique; Auban-Senzier, Pascale; Swietlik, Roman; Frąckowiak, Arkadiusz; Fourmigué, Marc","Inter-layer charge disproportionation in the dual-layer organic metal (tTTF-I)2ClO4 with unsymmetrical IO halogen bond interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5280","5291","10.1039/c3dt52801d","","","0.71073","MoKα","","0.1009","0.0603","","","0.1124","0.1301","","","","","","1.047","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029372","6.5484","0.0014","7.6879","0.0011","27.017","0.006","93.13","0.014","91.993","0.019","106.415","0.014","1301","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl I2 O4 S8 -","- C18 H14 Cl I2 O4 S8 -","- C36 H28 Cl2 I4 O8 S16 -","2","1","","Shin, Kyoung-Soon; Jeannin, Olivier; Brezgunova, Mariya; Dahaoui, Slimane; Aubert, Emmanuel; Espinosa, Enrique; Auban-Senzier, Pascale; Swietlik, Roman; Frąckowiak, Arkadiusz; Fourmigué, Marc","Inter-layer charge disproportionation in the dual-layer organic metal (tTTF-I)2ClO4 with unsymmetrical IO halogen bond interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5280","5291","10.1039/c3dt52801d","","","0.71073","MoKα","","0.0519","0.0394","","","0.1029","0.1096","","","","","","1.113","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7029373","6.5065","0.0005","7.5823","0.0005","26.906","0.002","92.706","0.003","92.573","0.003","106.606","0.003","1268.24","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl I2 O4 S8 -","- C18 H14 Cl I2 O4 S8 -","- C36 H28 Cl2 I4 O8 S16 -","2","1","","Shin, Kyoung-Soon; Jeannin, Olivier; Brezgunova, Mariya; Dahaoui, Slimane; Aubert, Emmanuel; Espinosa, Enrique; Auban-Senzier, Pascale; Swietlik, Roman; Frąckowiak, Arkadiusz; Fourmigué, Marc","Inter-layer charge disproportionation in the dual-layer organic metal (tTTF-I)2ClO4 with unsymmetrical IO halogen bond interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5280","5291","10.1039/c3dt52801d","","x-ray","0.71073","MoKα","","0.0608","0.0577","","","0.1457","0.1478","","","","","","1.3","","","","has coordinates,has disorder","179999","2020-10-21","18:00:00",""
"7029374","6.5088","0.0001","7.5585","0.0001","26.8252","0.0003","92.12","0.001","92.834","0.001","106.558","0.001","1261.64","0.03","99.8","0.6","99.8","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl I2 O4 S8 -","- C18 H14 Cl I2 O4 S8 -","- C36 H28 Cl2 I4 O8 S16 -","2","1","","Shin, Kyoung-Soon; Jeannin, Olivier; Brezgunova, Mariya; Dahaoui, Slimane; Aubert, Emmanuel; Espinosa, Enrique; Auban-Senzier, Pascale; Swietlik, Roman; Frąckowiak, Arkadiusz; Fourmigué, Marc","Inter-layer charge disproportionation in the dual-layer organic metal (tTTF-I)2ClO4 with unsymmetrical IO halogen bond interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5280","5291","10.1039/c3dt52801d","","","0.7107","MoKα","","0.0311","0.0311","","","0.0234","0.0234","","","","","","1.522","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029375","11.6726","0.0007","18.6442","0.0011","21.5813","0.0013","90","","90","","90","","4696.7","0.5","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H39 Cl2 F12 N6 O P3 Ru -","- C40 H39 Cl2 F12 N6 O P3 Ru -","- C160 H156 Cl8 F48 N24 O4 P12 Ru4 -","4","1","","Naziruddin, Abbas Raja; Zhuang, Chun-Shiuan; Lin, Wan-Jung; Hwang, Wen-Shu","Donor functionalized ruthenium N-heterocyclic carbene complexes in alcohol oxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5335","5342","10.1039/c3dt53125b","","","0.71073","MoKα","","0.0814","0.0516","","","0.1237","0.1432","","","","","","1.022","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029376","12.1842","0.0006","13.2317","0.0008","16.7148","0.0008","84.625","0.001","76.091","0.001","71.868","0.001","2485.3","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H44 F12 N7 O P3 Ru -","- C47 H44 F12 N7 O P3 Ru -","- C94 H88 F24 N14 O2 P6 Ru2 -","2","1","","Naziruddin, Abbas Raja; Zhuang, Chun-Shiuan; Lin, Wan-Jung; Hwang, Wen-Shu","Donor functionalized ruthenium N-heterocyclic carbene complexes in alcohol oxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5335","5342","10.1039/c3dt53125b","","","0.71073","MoKα","","0.0603","0.0491","","","0.1378","0.1493","","","","","","1.056","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029377","7.2155","0.0008","11.6633","0.0012","18.314","0.002","90","","97.853","0.01","90","","1526.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl2 Hg N3 O -","- C15 H11 Cl2 Hg N3 O -","- C60 H44 Cl8 Hg4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Mir Mohammad Sadegh, Bahareh","Effect of robust π-π stacking synthon on the formation of mercury coordination compounds; an unusual pseudo-square planar geometry.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5564","5573","10.1039/c3dt53220h","","","0.71073","MoKα","","0.0568","0.0506","","","0.1244","0.128","","","","","","1.136","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029378","7.446","0.003","11.885","0.005","18.079","0.008","90","","97.47","0.03","90","","1586.3","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br2 Hg N3 O -","- C15 H11 Br2 Hg N3 O -","- C60 H44 Br8 Hg4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Mir Mohammad Sadegh, Bahareh","Effect of robust π-π stacking synthon on the formation of mercury coordination compounds; an unusual pseudo-square planar geometry.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5564","5573","10.1039/c3dt53220h","","","0.71073","MoKα","","0.0679","0.0521","","","0.1251","0.1317","","","","","","1.134","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029379","29.313","0.003","6.8788","0.0004","15.5479","0.0012","90","","111.401","0.007","90","","2918.9","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 Hg I2 N6 O2 -","- C30 H22 Hg I2 N6 O2 -","- C120 H88 Hg4 I8 N24 O8 -","4","0.5","","Khavasi, Hamid Reza; Mir Mohammad Sadegh, Bahareh","Effect of robust π-π stacking synthon on the formation of mercury coordination compounds; an unusual pseudo-square planar geometry.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5564","5573","10.1039/c3dt53220h","","","0.71073","MoKα","","0.0915","0.0905","","","0.1615","0.1818","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029380","5.8657","0.0005","17.8891","0.0017","22.837","0.002","90","","90.93","0.008","90","","2396","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N3 O -","- C15 H11 N3 O -","- C120 H88 N24 O8 -","8","2","","Khavasi, Hamid Reza; Mir Mohammad Sadegh, Bahareh","Effect of robust π-π stacking synthon on the formation of mercury coordination compounds; an unusual pseudo-square planar geometry.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5564","5573","10.1039/c3dt53220h","","","0.71073","MoKα","","0.0986","0.0957","","","0.1126","0.1649","","","","","","0.92","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029381","36.4558","0.0008","9.4352","0.0002","18.0345","0.0004","90","","94.946","0.001","90","","6180.2","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cd1.5 N4 O10 -","- C32 H26 Cd1.5 N4 O10 -","- C256 H208 Cd12 N32 O80 -","8","1","","Huang, Shu-Yuan; Li, Jin-Yuan; Li, Jian-Qiang; Xu, Wen-Yuan; Luo, Ming-Biao; Zhu, Yan; Luo, Feng","Exceptional temperature-dependent coordination sites from acylamide groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5260","5264","10.1039/c3dt53123f","","","0.71073","MoKα","","0.0412","0.033","","","0.0848","0.1012","","","","","","1.193","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029382","18.1077","0.0018","15.6823","0.0015","9.5487","0.0009","90","","93.563","0.005","90","","2706.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cd N4 O8 -","- C28 H24 Cd N4 O8 -","- C112 H96 Cd4 N16 O32 -","4","1","","Huang, Shu-Yuan; Li, Jin-Yuan; Li, Jian-Qiang; Xu, Wen-Yuan; Luo, Ming-Biao; Zhu, Yan; Luo, Feng","Exceptional temperature-dependent coordination sites from acylamide groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5260","5264","10.1039/c3dt53123f","","","0.71073","MoKα","","0.0279","0.0244","","","0.0628","0.0726","","","","","","1.109","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029383","24.8202","0.0003","27.1921","0.0004","31.4135","0.0004","70.5521","0.0012","86.2853","0.0009","69.6989","0.0012","18719","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe13 H146 Na33 O319 P12 W60 -","- Fe13 Na20 O318.9 P12 W60 -","- Fe26 Na40 O637.8 P24 W120 -","2","1","","Molina, Pedro I.; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy","Assembly and core transformation properties of two tetrahedral clusters: [Fe(III)13P8W60O227(OH)15(H2O)2](30-) and [Fe(III)13P8W60O224(OH)12(PO4)4](33-).","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5190","5199","10.1039/c3dt53382d","","","0.71073","MoKα","","0.1127","0.0583","","","0.1303","0.1608","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029384","29.7437","0.001","29.7437","0.001","76.26","0.004","90","","90","","120","","58428","4","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- Fe13 H131 Na30 O300 P8 W60 -","- Fe13 Na9.6 O297.65 P8 W60 -","- Fe78 Na57.6 O1785.9 P48 W360 -","6","0.333333","","Molina, Pedro I.; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy","Assembly and core transformation properties of two tetrahedral clusters: [Fe(III)13P8W60O227(OH)15(H2O)2](30-) and [Fe(III)13P8W60O224(OH)12(PO4)4](33-).","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5190","5199","10.1039/c3dt53382d","","","0.71073","MoKα","","0.0784","0.0503","","","0.1277","0.1602","","","","","","1.224","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7029385","11.992","0.003","16.147","0.003","22.318","0.005","90","","91.041","0.01","90","","4320.8","1.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 F18 Gd N2 O8 -","- C33 H39 F18 Gd N2 O8 -","- C132 H156 F72 Gd4 N8 O32 -","4","1","","Murakami, Rina; Nakamura, Takeshi; Ishida, Takayuki","Doubly TEMPO-coordinated gadolinium(iii), lanthanum(iii), and yttrium(iii) complexes. Strong superexchange coupling across rare earth ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5893","5898","10.1039/c3dt53586j","","","0.71073","MoKα","","","0.0533","","","","0.0574","","","","","","1.088","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029386","11.968","0.006","16.162","0.009","22.26","0.011","90","","91.08","0.04","90","","4305","4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 F18 N2 O8 Y -","- C33 H39 F18 N2 O8 Y -","- C132 H156 F72 N8 O32 Y4 -","4","1","","Murakami, Rina; Nakamura, Takeshi; Ishida, Takayuki","Doubly TEMPO-coordinated gadolinium(iii), lanthanum(iii), and yttrium(iii) complexes. Strong superexchange coupling across rare earth ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5893","5898","10.1039/c3dt53586j","","","0.71073","MoKα","","","0.0645","","","","0.0672","","","","","","1.068","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029387","9.3813","0.0017","11.977","0.003","21.854","0.005","74.842","0.009","78.118","0.009","66.457","0.009","2158.5","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H39 F18 La N2 O8 -","- C33 H39 F18 La N2 O8 -","- C66 H78 F36 La2 N4 O16 -","2","1","","Murakami, Rina; Nakamura, Takeshi; Ishida, Takayuki","Doubly TEMPO-coordinated gadolinium(iii), lanthanum(iii), and yttrium(iii) complexes. Strong superexchange coupling across rare earth ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5893","5898","10.1039/c3dt53586j","","","0.71073","MoKα","","","0.0662","","","","0.0742","","","","","","1.077","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029388","11.2722","0.0012","14.845","0.003","15.7278","0.0014","96.485","0.009","94.684","0.008","94.906","0.012","2594.3","0.6","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C21 H36 B Cl N7 Ta -","- C21 H36 B Cl N7 Ta -","- C84 H144 B4 Cl4 N28 Ta4 -","4","2","","Galájov, Miguel; García, Carlos; Gómez, Manuel; Gómez-Sal, Pilar","Alkyl chlorido hydridotris(3,5-dimethylpyrazolyl)borate imido niobium and tantalum(v) complexes: synthesis, conformational states of alkyl groups in solid and solution, X-ray diffraction and multinuclear magnetic resonance spectroscopy studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5747","5758","10.1039/c3dt53353k","","x-ray","0.71073","MoKα","","0.1416","0.0628","","","0.1289","0.1592","","","","","","0.957","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029389","10.617","0.0013","11.2","0.0009","14.311","0.0015","96.911","0.011","97.518","0.012","107.041","0.009","1590.3","0.3","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C26 H38 B Cl N7 Nb -","- C26 H38 B Cl N7 Nb -","- C52 H76 B2 Cl2 N14 Nb2 -","2","1","","Galájov, Miguel; García, Carlos; Gómez, Manuel; Gómez-Sal, Pilar","Alkyl chlorido hydridotris(3,5-dimethylpyrazolyl)borate imido niobium and tantalum(v) complexes: synthesis, conformational states of alkyl groups in solid and solution, X-ray diffraction and multinuclear magnetic resonance spectroscopy studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5747","5758","10.1039/c3dt53353k","","x-ray","0.71073","MoKα","","0.1408","0.0697","","","0.1816","0.2268","","","","","","0.905","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029390","10.7131","0.001","11.1795","0.001","14.3633","0.0007","96.882","0.005","97.911","0.005","107.181","0.007","1604.3","0.2","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C26 H38 B Cl N7 Ta -","- C26 H38 B Cl N7 Ta -","- C52 H76 B2 Cl2 N14 Ta2 -","2","1","","Galájov, Miguel; García, Carlos; Gómez, Manuel; Gómez-Sal, Pilar","Alkyl chlorido hydridotris(3,5-dimethylpyrazolyl)borate imido niobium and tantalum(v) complexes: synthesis, conformational states of alkyl groups in solid and solution, X-ray diffraction and multinuclear magnetic resonance spectroscopy studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5747","5758","10.1039/c3dt53353k","","x-ray","0.71073","MoKα","","0.0597","0.0496","","","0.1152","0.1236","","","","","","1.144","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029391","10.6587","0.0012","14.113","0.006","20.728","0.004","90","","114.993","0.014","90","","2826.1","1.4","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 B Cl N7 Nb -","- C24 H42 B Cl N7 Nb -","- C96 H168 B4 Cl4 N28 Nb4 -","4","1","","Galájov, Miguel; García, Carlos; Gómez, Manuel; Gómez-Sal, Pilar","Alkyl chlorido hydridotris(3,5-dimethylpyrazolyl)borate imido niobium and tantalum(v) complexes: synthesis, conformational states of alkyl groups in solid and solution, X-ray diffraction and multinuclear magnetic resonance spectroscopy studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5747","5758","10.1039/c3dt53353k","","x-ray","0.71073","MoKα","","0.1959","0.0755","","","0.1389","0.1954","","","","","","0.831","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029392","10.5914","0.0016","14.0905","0.0014","18.9936","0.0019","90","","95.365","0.009","90","","2822.2","0.6","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 B Cl N7 Ta -","- C24 H42 B Cl N7 Ta -","- C96 H168 B4 Cl4 N28 Ta4 -","4","1","","Galájov, Miguel; García, Carlos; Gómez, Manuel; Gómez-Sal, Pilar","Alkyl chlorido hydridotris(3,5-dimethylpyrazolyl)borate imido niobium and tantalum(v) complexes: synthesis, conformational states of alkyl groups in solid and solution, X-ray diffraction and multinuclear magnetic resonance spectroscopy studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5747","5758","10.1039/c3dt53353k","","x-ray","0.71073","MoKα","","0.0987","0.0498","","","0.1008","0.1196","","","","","","1.017","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029393","9.9978","0.0007","38.529","0.005","17.28","0.002","90","","98.009","0.007","90","","6591.4","1.2","200","2","200","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H91 B2 Cl2 N14 Nb2 Si2 -","- C49 H91 B2 Cl2 N14 Nb2 Si2 -","- C196 H364 B8 Cl8 N56 Nb8 Si8 -","4","1","","Galájov, Miguel; García, Carlos; Gómez, Manuel; Gómez-Sal, Pilar","Alkyl chlorido hydridotris(3,5-dimethylpyrazolyl)borate imido niobium and tantalum(v) complexes: synthesis, conformational states of alkyl groups in solid and solution, X-ray diffraction and multinuclear magnetic resonance spectroscopy studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5747","5758","10.1039/c3dt53353k","","x-ray","0.71073","MoKα","","0.1781","0.071","","","0.1545","0.1897","","","","","","0.973","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029394","11.82","0.015","20.044","0.011","13.824","0.011","90","","105.81","0.08","90","","3151","5","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H44 B Cl N7 Nb -","- C29 H44 B Cl N7 Nb -","- C116 H176 B4 Cl4 N28 Nb4 -","4","1","","Galájov, Miguel; García, Carlos; Gómez, Manuel; Gómez-Sal, Pilar","Alkyl chlorido hydridotris(3,5-dimethylpyrazolyl)borate imido niobium and tantalum(v) complexes: synthesis, conformational states of alkyl groups in solid and solution, X-ray diffraction and multinuclear magnetic resonance spectroscopy studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5747","5758","10.1039/c3dt53353k","","x-ray","0.71073","MoKα","","0.1106","0.0673","","","0.1402","0.1573","","","","","","1.067","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029395","10.7974","0.0007","11.698","0.0007","13.9965","0.0011","83.471","0.005","89.385","0.006","63.341","0.004","1568.07","0.19","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C29 H44 B Cl N7 Ta -","- C29 H44 B Cl N7 Ta -","- C58 H88 B2 Cl2 N14 Ta2 -","2","1","","Galájov, Miguel; García, Carlos; Gómez, Manuel; Gómez-Sal, Pilar","Alkyl chlorido hydridotris(3,5-dimethylpyrazolyl)borate imido niobium and tantalum(v) complexes: synthesis, conformational states of alkyl groups in solid and solution, X-ray diffraction and multinuclear magnetic resonance spectroscopy studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5747","5758","10.1039/c3dt53353k","","x-ray","0.71073","MoKα","","0.0461","0.029","","","0.0621","0.0685","","","","","","0.835","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029396","17.0801","0.0007","17.8312","0.0007","17.941","0.0005","87.087","0.003","71.317","0.003","64.441","0.004","4645.2","0.4","123.3","0.3","123.3","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C48 H211 Cu24 Gd6 N24 Na O151 -","- C48 H74 Cu24 Gd6 N24 Na O151 -","- C48 H74 Cu24 Gd6 N24 Na O151 -","1","0.5","","Xiong, Gang; Xu, Hang; Cui, Jian-Zhong; Wang, Qing-Lun; Zhao, Bin","The multiple core-shell structure in Cu24Ln6 cluster with magnetocaloric effect and slow magnetization relaxation.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5639","5642","10.1039/c3dt53251h","","","0.7107","MoKα","","0.0722","0.0597","","","0.1573","0.1641","","","","","","1.08","","","","has coordinates,has disorder","179999","2020-10-21","18:00:00",""
"7029397","17.0964","0.0007","17.8161","0.0007","17.8597","0.0007","87.132","0.003","71.317","0.004","64.3","0.004","4618.2","0.4","125.2","0.4","125.2","0.4","","","","","","","","7","P -1","-P 1","2","","","","- C48 H251 Cu24 Dy6 N24 Na O151 -","- C48 Cu24 Dy6 N12 Na O86 -","- C48 Cu24 Dy6 N12 Na O86 -","1","0.5","","Xiong, Gang; Xu, Hang; Cui, Jian-Zhong; Wang, Qing-Lun; Zhao, Bin","The multiple core-shell structure in Cu24Ln6 cluster with magnetocaloric effect and slow magnetization relaxation.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5639","5642","10.1039/c3dt53251h","","","0.7107","MoKα","","0.1013","0.0592","","","0.1473","0.1622","","","","","","0.896","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7029398","10.3048","0.0008","18.3915","0.001","19.1066","0.001","75.91","0.005","86.934","0.005","81.371","0.005","3471.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H46 F6 N3 Ni P -","- C34 H46 F6 N3 Ni P -","- C136 H184 F24 N12 Ni4 P4 -","4","2","","Buchowicz, Włodzimierz; Banach, Lukasz; Conder, Joanna; Guńka, Piotr A; Kubicki, Dominik; Buchalski, Piotr","Anion exchange in [Ni(η(5)-C5H4R)(Cl)(NHC)]. Counterion effect on the structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5847","5857","10.1039/c3dt53352b","","","0.7107","MoKα","","0.0646","0.0468","","","0.1051","0.1151","","","","","","1.021","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029399","7.9276","0.0003","9.6611","0.0005","20.5983","0.0008","78.742","0.004","89.7","0.003","69.643","0.004","1447.24","0.12","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 F3 N2 Ni O2 -","- C28 H29 F3 N2 Ni O2 -","- C56 H58 F6 N4 Ni2 O4 -","2","1","","Buchowicz, Włodzimierz; Banach, Lukasz; Conder, Joanna; Guńka, Piotr A; Kubicki, Dominik; Buchalski, Piotr","Anion exchange in [Ni(η(5)-C5H4R)(Cl)(NHC)]. Counterion effect on the structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5847","5857","10.1039/c3dt53352b","","","0.7107","MoKα","","0.0578","0.0488","","","0.1233","0.1279","","","","","","1.135","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029400","8.5478","0.0003","8.8564","0.0003","17.8908","0.0005","89.233","0.003","80.886","0.003","85.015","0.003","1332.23","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 Ni O3 -","- C28 H32 N4 Ni O3 -","- C56 H64 N8 Ni2 O6 -","2","1","","Buchowicz, Włodzimierz; Banach, Lukasz; Conder, Joanna; Guńka, Piotr A; Kubicki, Dominik; Buchalski, Piotr","Anion exchange in [Ni(η(5)-C5H4R)(Cl)(NHC)]. Counterion effect on the structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5847","5857","10.1039/c3dt53352b","","","0.7107","MoKα","","0.0488","0.0386","","","0.0964","0.102","","","","","","1.019","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029401","17.6218","0.0003","12.2104","0.0003","22.7534","0.0004","90","","90","","90","","4895.83","0.17","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H29 N3 Ni O3 -","- C26 H29 N3 Ni O3 -","- C208 H232 N24 Ni8 O24 -","8","2","","Buchowicz, Włodzimierz; Banach, Lukasz; Conder, Joanna; Guńka, Piotr A; Kubicki, Dominik; Buchalski, Piotr","Anion exchange in [Ni(η(5)-C5H4R)(Cl)(NHC)]. Counterion effect on the structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5847","5857","10.1039/c3dt53352b","","","0.7107","MoKα","","0.0606","0.0532","","","0.1444","0.1516","","","","","","1.067","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029402","11.5054","0.0011","12.5391","0.0012","21.4","0.002","86.083","0.002","76.139","0.002","74.298","0.002","2885.5","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H56 Cu1.5 Ge La N8 O46 W11 -","- C12 H42 Cu1.5 Ge La N8 O46 W11 -","- C24 H84 Cu3 Ge2 La2 N16 O92 W22 -","2","1","","Zhao, Jun-Wei; Li, Yan-Zhou; Ji, Fan; Yuan, Jing; Chen, Li-Juan; Yang, Guo-Yu","Syntheses, structures and electrochemical properties of a class of 1-D double chain polyoxotungstate hybrids [H2dap][Cu(dap)2]0.5[Cu(dap)2(H2O)][Ln(H2O)3(α-GeW11O39)]·3H2O.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5694","5706","10.1039/c3dt53616e","","","0.71073","MoKα","","0.0815","0.0622","","","0.16","0.1726","","","","","","0.99","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029403","11.43","0.002","12.54","0.003","21.298","0.004","85.591","0.004","76.173","0.004","73.999","0.004","2849.2","1","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H56 Cu1.5 Ge N8 O46 Pr W11 -","- C12 H42 Cu1.5 Ge N8 O46 Pr W11 -","- C24 H84 Cu3 Ge2 N16 O92 Pr2 W22 -","2","1","","Zhao, Jun-Wei; Li, Yan-Zhou; Ji, Fan; Yuan, Jing; Chen, Li-Juan; Yang, Guo-Yu","Syntheses, structures and electrochemical properties of a class of 1-D double chain polyoxotungstate hybrids [H2dap][Cu(dap)2]0.5[Cu(dap)2(H2O)][Ln(H2O)3(α-GeW11O39)]·3H2O.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5694","5706","10.1039/c3dt53616e","","","0.71073","MoKα","","0.0705","0.0477","","","0.1143","0.122","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029404","11.4615","0.0014","12.6091","0.0015","21.456","0.003","85.706","0.002","76.12","0.002","74.166","0.002","2895.9","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H56 Cu1.5 Ge N8 Nd O46 W11 -","- C12 H42 Cu1.5 Ge N8 Nd O46 W11 -","- C24 H84 Cu3 Ge2 N16 Nd2 O92 W22 -","2","1","","Zhao, Jun-Wei; Li, Yan-Zhou; Ji, Fan; Yuan, Jing; Chen, Li-Juan; Yang, Guo-Yu","Syntheses, structures and electrochemical properties of a class of 1-D double chain polyoxotungstate hybrids [H2dap][Cu(dap)2]0.5[Cu(dap)2(H2O)][Ln(H2O)3(α-GeW11O39)]·3H2O.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5694","5706","10.1039/c3dt53616e","","","0.71073","MoKα","","0.0896","0.0735","","","0.1858","0.1956","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029405","11.408","0.003","12.563","0.004","21.4","0.006","85.602","0.005","75.868","0.005","74.308","0.005","2863.2","1.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H56 Cu1.5 Ge N8 O46 Sm W11 -","- C12 H42 Cu1.5 Ge N8 O46 Sm W11 -","- C24 H84 Cu3 Ge2 N16 O92 Sm2 W22 -","2","1","","Zhao, Jun-Wei; Li, Yan-Zhou; Ji, Fan; Yuan, Jing; Chen, Li-Juan; Yang, Guo-Yu","Syntheses, structures and electrochemical properties of a class of 1-D double chain polyoxotungstate hybrids [H2dap][Cu(dap)2]0.5[Cu(dap)2(H2O)][Ln(H2O)3(α-GeW11O39)]·3H2O.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5694","5706","10.1039/c3dt53616e","","","0.71073","MoKα","","0.1474","0.0964","","","0.2208","0.2491","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029406","11.327","0.006","12.493","0.006","21.298","0.01","85.454","0.009","75.769","0.012","74.292","0.011","2812","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H56 Cu1.5 Eu Ge N8 O46 W11 -","- C12 H42 Cu1.5 Eu Ge N8 O46 W11 -","- C24 H84 Cu3 Eu2 Ge2 N16 O92 W22 -","2","1","","Zhao, Jun-Wei; Li, Yan-Zhou; Ji, Fan; Yuan, Jing; Chen, Li-Juan; Yang, Guo-Yu","Syntheses, structures and electrochemical properties of a class of 1-D double chain polyoxotungstate hybrids [H2dap][Cu(dap)2]0.5[Cu(dap)2(H2O)][Ln(H2O)3(α-GeW11O39)]·3H2O.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5694","5706","10.1039/c3dt53616e","","","0.71073","MoKα","","0.243","0.1131","","","0.1712","0.1969","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029407","11.472","0.005","12.626","0.006","21.551","0.01","85.036","0.007","75.206","0.007","74.721","0.007","2911","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H58 Cu1.5 Ge N8 O46 Tb W11 -","- C12 H42 Cu1.5 Ge N8 O47 Tb W11 -","- C24 H84 Cu3 Ge2 N16 O94 Tb2 W22 -","2","1","","Zhao, Jun-Wei; Li, Yan-Zhou; Ji, Fan; Yuan, Jing; Chen, Li-Juan; Yang, Guo-Yu","Syntheses, structures and electrochemical properties of a class of 1-D double chain polyoxotungstate hybrids [H2dap][Cu(dap)2]0.5[Cu(dap)2(H2O)][Ln(H2O)3(α-GeW11O39)]·3H2O.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5694","5706","10.1039/c3dt53616e","","","0.71073","MoKα","","0.0731","0.0614","","","0.1594","0.1675","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029408","11.29","0.0008","12.4765","0.0009","21.3987","0.0015","84.632","0.001","74.82","0.001","75.359","0.001","2813.4","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H56 Cu1.5 Er Ge N8 O46 W11 -","- C12 H42 Cu1.5 Er Ge N8 O46 W11 -","- C24 H84 Cu3 Er2 Ge2 N16 O92 W22 -","2","1","","Zhao, Jun-Wei; Li, Yan-Zhou; Ji, Fan; Yuan, Jing; Chen, Li-Juan; Yang, Guo-Yu","Syntheses, structures and electrochemical properties of a class of 1-D double chain polyoxotungstate hybrids [H2dap][Cu(dap)2]0.5[Cu(dap)2(H2O)][Ln(H2O)3(α-GeW11O39)]·3H2O.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5694","5706","10.1039/c3dt53616e","","","0.71073","MoKα","","0.0715","0.0637","","","0.1801","0.1866","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029409","15.7387","0.0004","11.7343","0.0003","15.7462","0.0003","90","","112.603","0.002","90","","2684.68","0.12","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H28 Al Li O4 -","- C12 H28 Al Li O4 -","- C72 H168 Al6 Li6 O24 -","6","3","","Less, Robert J.; Simmonds, Hayley R.; Wright, Dominic S.","Reactivity and catalytic activity of tert-butoxy-aluminium hydride reagents.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5785","5792","10.1039/c4dt00152d","","","0.71073","MoKα","","0.1119","0.1099","","","0.3226","0.3309","","","","","","1.742","","","","has coordinates,has disorder","180000","2020-10-21","18:00:00",""
"7029410","10.6722","0.0003","13.5757","0.0004","13.6681","0.0004","90.244","0.002","101.867","0.002","93.413","0.001","1934.23","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Al2 N8 O0.3 -","- C40 H46 Al2 N8 O0.3 -","- C80 H92 Al4 N16 O0.6 -","2","1","","Less, Robert J.; Simmonds, Hayley R.; Wright, Dominic S.","Reactivity and catalytic activity of tert-butoxy-aluminium hydride reagents.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5785","5792","10.1039/c4dt00152d","","","0.71073","MoKα","","0.0673","0.0433","","","0.0939","0.1055","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029411","6.0538","0.0004","12.6086","0.0006","13.397","0.0009","114.25","0.002","93.497","0.002","99.234","0.003","911.08","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H37 Al B2 N4 -","- C11 H37 Al B2 N4 -","- C22 H74 Al2 B4 N8 -","2","1","","Less, Robert J.; Simmonds, Hayley R.; Wright, Dominic S.","Reactivity and catalytic activity of tert-butoxy-aluminium hydride reagents.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5785","5792","10.1039/c4dt00152d","","","0.71073","MoKα","","0.1569","0.0746","","","0.1449","0.1699","","","","","","1.014","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029412","17.6391","0.0002","20.0133","0.0002","16.0589","0.0002","90","","90","","90","","5669.06","0.11","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40 H96 Al4 Li4 O10 -","- C40 H96 Al4 Li4 O10 -","- C160 H384 Al16 Li16 O40 -","4","1","","Less, Robert J.; Simmonds, Hayley R.; Wright, Dominic S.","Reactivity and catalytic activity of tert-butoxy-aluminium hydride reagents.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5785","5792","10.1039/c4dt00152d","","","0.71073","MoKα","","0.0575","0.0414","","","0.1068","0.1118","","","","","","0.977","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029413","11.898","0.002","14.656","0.003","16.595","0.003","90.03","0.03","104.37","0.03","98.74","0.03","2768.5","1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H92 Co3 N20 O2 -","- C132 H92 Co3 N20 O2 -","- C132 H92 Co3 N20 O2 -","1","0.5","","Kim, Hyun-Chul; Lee, Young Sun; Huh, Seong; Lee, Suk Joong; Kim, Youngmee","CO2 selective 1D double chain dipyridyl-porphyrin based porous coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5680","5686","10.1039/c3dt53287a","","","0.71073","MoKα","","0.1117","0.0704","","","0.1826","0.2061","","","","","","0.992","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029414","11.84","0.002","14.96","0.003","16.671","0.003","90.42","0.03","104.33","0.03","99","0.03","2822.5","1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H92 N20 O2 Zn3 -","- C132 H92 N20 O2 Zn3 -","- C132 H92 N20 O2 Zn3 -","1","0.5","","Kim, Hyun-Chul; Lee, Young Sun; Huh, Seong; Lee, Suk Joong; Kim, Youngmee","CO2 selective 1D double chain dipyridyl-porphyrin based porous coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5680","5686","10.1039/c3dt53287a","","","0.71073","MoKα","","0.0815","0.0684","","","0.1845","0.1965","","","","","","1.049","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029415","9.7074","0.0007","9.7515","0.0008","14.0169","0.0011","77.481","0.007","81.22","0.006","80.021","0.007","1266.55","0.18","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Cl2 Ir N2 O2 -","- C28 H25 Cl2 Ir N2 O2 -","- C56 H50 Cl4 Ir2 N4 O4 -","2","1","","Frey, Julien; Curchod, Basile F. E.; Scopelliti, Rosario; Tavernelli, Ivano; Rothlisberger, Ursula; Nazeeruddin, Mohammad K.; Baranoff, Etienne","Structure-property relationships based on Hammett constants in cyclometalated iridium(iii) complexes: their application to the design of a fluorine-free FIrPic-like emitter.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5667","5679","10.1039/c3dt52739e","","","0.71073","MoKα","","0.0213","0.0196","","","0.0492","0.0496","","","","","","1.089","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029416","14.2843","0.0012","20.156","0.003","17.0651","0.0012","90","","109.041","0.007","90","","4644.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 F4 Ir N2 O2 -","- C27 H19 F4 Ir N2 O2 -","- C216 H152 F32 Ir8 N16 O16 -","8","2","","Frey, Julien; Curchod, Basile F. E.; Scopelliti, Rosario; Tavernelli, Ivano; Rothlisberger, Ursula; Nazeeruddin, Mohammad K.; Baranoff, Etienne","Structure-property relationships based on Hammett constants in cyclometalated iridium(iii) complexes: their application to the design of a fluorine-free FIrPic-like emitter.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5667","5679","10.1039/c3dt52739e","","","0.71073","MoKα","","0.0626","0.0416","","","0.0973","0.113","","","","","","1.09","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029417","23.041","0.003","10.8791","0.0015","26.008","0.005","90","","104.362","0.009","90","","6315.6","1.7","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H33 Cl2 Ir N2 O6 -","- C32 H33 Cl2 Ir N2 O6 -","- C256 H264 Cl16 Ir8 N16 O48 -","8","1","","Frey, Julien; Curchod, Basile F. E.; Scopelliti, Rosario; Tavernelli, Ivano; Rothlisberger, Ursula; Nazeeruddin, Mohammad K.; Baranoff, Etienne","Structure-property relationships based on Hammett constants in cyclometalated iridium(iii) complexes: their application to the design of a fluorine-free FIrPic-like emitter.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5667","5679","10.1039/c3dt52739e","","","0.71073","MoKα","","0.0333","0.0238","","","0.0512","0.0568","","","","","","1.118","","","","has coordinates,has disorder","180000","2020-10-21","18:00:00",""
"7029418","10.0818","0.0016","10.4988","0.0019","13.2307","0.0009","99.755","0.01","92.785","0.007","103.058","0.016","1339","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 Ir N2 O4 -","- C31 H31 Ir N2 O4 -","- C62 H62 Ir2 N4 O8 -","2","1","","Frey, Julien; Curchod, Basile F. E.; Scopelliti, Rosario; Tavernelli, Ivano; Rothlisberger, Ursula; Nazeeruddin, Mohammad K.; Baranoff, Etienne","Structure-property relationships based on Hammett constants in cyclometalated iridium(iii) complexes: their application to the design of a fluorine-free FIrPic-like emitter.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5667","5679","10.1039/c3dt52739e","","","0.71073","MoKα","","0.0268","0.0209","","","0.0439","0.0468","","","","","","1.115","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029419","30.259","0.008","10.1335","0.0011","39.92","0.01","90","","90","","90","","12241","5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H31 Cl2 Ir N4 O6 -","- C30 H31 Cl2 Ir N4 O6 -","- C480 H496 Cl32 Ir16 N64 O96 -","16","2","","Frey, Julien; Curchod, Basile F. E.; Scopelliti, Rosario; Tavernelli, Ivano; Rothlisberger, Ursula; Nazeeruddin, Mohammad K.; Baranoff, Etienne","Structure-property relationships based on Hammett constants in cyclometalated iridium(iii) complexes: their application to the design of a fluorine-free FIrPic-like emitter.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5667","5679","10.1039/c3dt52739e","","","0.71073","MoKα","","0.0378","0.0276","","","0.0471","0.0503","","","","","","1.231","","","","has coordinates,has disorder","180000","2020-10-21","18:00:00",""
"7029420","11.118","0.0013","22.472","0.003","12.1117","0.0014","90","","90.716","0.011","90","","3025.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H29 Ir N4 O4 -","- C29 H29 Ir N4 O4 -","- C116 H116 Ir4 N16 O16 -","4","0.5","","Frey, Julien; Curchod, Basile F. E.; Scopelliti, Rosario; Tavernelli, Ivano; Rothlisberger, Ursula; Nazeeruddin, Mohammad K.; Baranoff, Etienne","Structure-property relationships based on Hammett constants in cyclometalated iridium(iii) complexes: their application to the design of a fluorine-free FIrPic-like emitter.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5667","5679","10.1039/c3dt52739e","","","0.71073","MoKα","","0.0301","0.0254","","","0.0537","0.056","","","","","","1.147","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029421","16.5309","0.0003","25.6674","0.0004","15.1461","0.0003","90","","94.766","0.001","90","","6404.3","0.2","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H33.5 Cl4 N2 O4 Pd2 -","- C25.5 H33.5 Cl4 N2 O4 Pd2 -","- C204 H268 Cl32 N16 O32 Pd16 -","8","1","","Yap, Jeanette See Leng; Li, Bin Bin; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Development of a novel chiral palladacycle and its application in asymmetric hydrophosphination reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5777","5784","10.1039/c4dt00062e","","","0.71073","MoKα","","0.0596","0.0347","","","0.0761","0.0875","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029422","8.8546","0.0003","8.8546","0.0003","22.276","0.0009","90","","90","","90","","1746.53","0.11","103","2","103","2","","","","","","","","6","P 41","P 4w","76","","","","- C15 H20 Cl2 N2 O2 Pd -","- C15 H20 Cl2 N2 O2 Pd -","- C60 H80 Cl8 N8 O8 Pd4 -","4","1","","Yap, Jeanette See Leng; Li, Bin Bin; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Development of a novel chiral palladacycle and its application in asymmetric hydrophosphination reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5777","5784","10.1039/c4dt00062e","","","0.71073","MoKα","","0.0343","0.0307","","","0.0593","0.0608","","","","","","1.036","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029423","6.7161","0.0002","8.8109","0.0003","14.4813","0.0005","90","","102.699","0.001","90","","835.97","0.05","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H20 Cl2 N2 O2 Pd -","- C15 H20 Cl2 N2 O2 Pd -","- C30 H40 Cl4 N4 O4 Pd2 -","2","1","","Yap, Jeanette See Leng; Li, Bin Bin; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Development of a novel chiral palladacycle and its application in asymmetric hydrophosphination reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5777","5784","10.1039/c4dt00062e","","","0.71073","MoKα","","0.0187","0.0181","","","0.0434","0.0479","","","","","","1.106","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029424","8.8571","0.0002","14.1867","0.0003","11.1258","0.0003","90","","95.091","0.001","90","","1392.48","0.06","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 Cl8 N2 Pd2 -","- C21 H26 Cl8 N2 Pd2 -","- C42 H52 Cl16 N4 Pd4 -","2","1","","Yap, Jeanette See Leng; Li, Bin Bin; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Development of a novel chiral palladacycle and its application in asymmetric hydrophosphination reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5777","5784","10.1039/c4dt00062e","","","0.71073","MoKα","","0.0237","0.0226","","","0.046","0.0466","","","","","","1.01","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7029425","10.8357","0.0008","6.3586","0.0004","14.7427","0.0011","90","","108.798","0.002","90","","961.59","0.12","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl3 N3 O4 Pd -","- C14 H18 Cl3 N3 O4 Pd -","- C28 H36 Cl6 N6 O8 Pd2 -","2","1","","Yap, Jeanette See Leng; Li, Bin Bin; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Development of a novel chiral palladacycle and its application in asymmetric hydrophosphination reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5777","5784","10.1039/c4dt00062e","","","0.71073","MoKα","","0.0505","0.037","","","0.0805","0.1045","","","","","","1.095","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029426","9.3299","0.0011","11.3904","0.0013","16.6994","0.0013","96.644","0.006","98.656","0.007","97.835","0.007","1721.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H25 Br4 Cd N4 O6.5 S5 -","- C20 H20 Br4 Cd N4 O6.5 S5 -","- C40 H40 Br8 Cd2 N8 O13 S10 -","2","1","","Jia, Hong-Li; Shi, Zhan; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New hybrid Cd(ii) compounds: synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5806","5814","10.1039/c3dt53020e","","","0.71073","MoKα","","0.0815","0.054","","","0.1523","0.1634","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029427","9.3666","0.0005","9.4698","0.0006","18.8322","0.0011","95.118","0.004","99.093","0.004","117.228","0.003","1441.62","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H18 Br4 Cd Cl0 N4 O0 S4 -","- C20 H18 Br4 Cd N4 S4 -","- C40 H36 Br8 Cd2 N8 S8 -","2","1","","Jia, Hong-Li; Shi, Zhan; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New hybrid Cd(ii) compounds: synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5806","5814","10.1039/c3dt53020e","","","0.71073","MoKα","","0.0455","0.0283","","","0.0505","0.0531","","","","","","1.013","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029428","8.0161","0.0016","17.66","0.004","8.0715","0.0016","90","","113.9","0.03","90","","1044.7","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cd Cl2 N10 O0 S2 -","- C14 H14 Cd Cl2 N10 S2 -","- C28 H28 Cd2 Cl4 N20 S4 -","2","0.5","","Jia, Hong-Li; Shi, Zhan; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New hybrid Cd(ii) compounds: synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5806","5814","10.1039/c3dt53020e","","","0.71073","MoKα","","0.0255","0.0236","","","0.0559","0.0566","","","","","","1.157","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029429","6.1287","0.0004","10.5689","0.0007","11.8829","0.0007","90","","98.756","0.004","90","","760.73","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cd N6 S4 -","- C8 H12 Cd N6 S4 -","- C16 H24 Cd2 N12 S8 -","2","0.5","","Jia, Hong-Li; Shi, Zhan; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New hybrid Cd(ii) compounds: synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5806","5814","10.1039/c3dt53020e","","","0.71073","MoKα","","0.0321","0.0305","","","0.07","0.071","","","","","","1.193","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029430","6.6354","0.0013","8.6178","0.0017","6.8749","0.0014","90","","95.16","0.03","90","","391.53","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 Cd N6 O2 -","- C4 H4 Cd N6 O2 -","- C8 H8 Cd2 N12 O4 -","2","0.5","","Jia, Hong-Li; Shi, Zhan; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New hybrid Cd(ii) compounds: synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5806","5814","10.1039/c3dt53020e","","","0.71073","MoKα","","0.0294","0.0284","","","0.0851","0.0858","","","","","","1.112","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029431","10.4006","0.0004","10.5121","0.0004","16.4277","0.0006","86.211","0.003","81.558","0.003","63.957","0.004","1596.22","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H28 Cl2 N4 O2 P Re -","- C32 H28 Cl2 N4 O2 P Re -","- C64 H56 Cl4 N8 O4 P2 Re2 -","2","1","","Gryca, I.; Machura, B.; Małecki, J G; Shul'pina, Lidia S.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.","New p-tolylimido rhenium(v) complexes with carboxylate-based ligands: synthesis, structures and their catalytic potential in oxidations with peroxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5759","5776","10.1039/c3dt53511h","","","0.71073","MoKα","","0.0306","0.0222","","","0.0449","0.0459","","","","","","0.954","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029432","9.7169","0.0005","14.4692","0.0009","22.3218","0.0012","97.987","0.005","90.759","0.005","105.589","0.005","2989.4","0.3","293","0.2","293","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H25 Cl2 N3 O2 P Re -","- C30 H25 Cl2 N3 O2 P Re -","- C120 H100 Cl8 N12 O8 P4 Re4 -","4","2","","Gryca, I.; Machura, B.; Małecki, J G; Shul'pina, Lidia S.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.","New p-tolylimido rhenium(v) complexes with carboxylate-based ligands: synthesis, structures and their catalytic potential in oxidations with peroxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5759","5776","10.1039/c3dt53511h","","","0.71073","MoKα","","0.0785","0.0492","","","0.1057","0.1166","","","","","","0.988","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029433","10.3301","0.001","11.3982","0.001","13.293","0.001","92.707","0.006","104.825","0.008","104.41","","1455.2","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H25 Br2 N3 O2 P Re -","- C30 H25 Br2 N3 O2 P Re -","- C60 H50 Br4 N6 O4 P2 Re2 -","2","1","","Gryca, I.; Machura, B.; Małecki, J G; Shul'pina, Lidia S.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.","New p-tolylimido rhenium(v) complexes with carboxylate-based ligands: synthesis, structures and their catalytic potential in oxidations with peroxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5759","5776","10.1039/c3dt53511h","","","0.71073","MoKα","","0.0675","0.0545","","","0.1541","0.159","","","","","","1.073","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029434","8.2043","0.0016","11.196","0.002","18.785","0.004","84.91","0.03","84.9","0.03","85.4","0.03","1707.3","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H35 Cl2 N3 O4 P Re -","- C35 H35 Cl2 N3 O4 P Re -","- C70 H70 Cl4 N6 O8 P2 Re2 -","2","1","","Gryca, I.; Machura, B.; Małecki, J G; Shul'pina, Lidia S.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.","New p-tolylimido rhenium(v) complexes with carboxylate-based ligands: synthesis, structures and their catalytic potential in oxidations with peroxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5759","5776","10.1039/c3dt53511h","","","0.71073","MoKα","","0.0374","0.0305","","","0.0626","0.065","","","","","","1.027","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029435","11.0285","0.0004","20.8676","0.0007","28.072","0.001","90","","90.662","0.003","90","","6460","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28.5 Cl2 N3.5 O2 P Re -","- C34 H28.5 Cl2 N3.5 O2 P Re -","- C272 H228 Cl16 N28 O16 P8 Re8 -","8","2","","Gryca, I.; Machura, B.; Małecki, J G; Shul'pina, Lidia S.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.","New p-tolylimido rhenium(v) complexes with carboxylate-based ligands: synthesis, structures and their catalytic potential in oxidations with peroxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5759","5776","10.1039/c3dt53511h","","","0.71073","MoKα","","0.0567","0.038","","","0.0823","0.0893","","","","","","1.016","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029436","11.1469","0.0003","21.1457","0.0006","28.119","0.0007","90","","91.056","0.002","90","","6626.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H29 Br2 N3 O2.5 P Re -","- C33.5 H29 Br2 N3 O2.5 P Re -","- C268 H232 Br16 N24 O20 P8 Re8 -","8","2","","Gryca, I.; Machura, B.; Małecki, J G; Shul'pina, Lidia S.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.","New p-tolylimido rhenium(v) complexes with carboxylate-based ligands: synthesis, structures and their catalytic potential in oxidations with peroxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5759","5776","10.1039/c3dt53511h","","","0.71073","MoKα","","0.0947","0.0575","","","0.1194","0.133","","","","","","0.998","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029437","11.1434","0.0003","21.1471","0.0006","28.1174","0.0006","90","","91.062","0.002","90","","6624.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28.5 Br2 N3.5 O2 P Re -","- C34 H28.5 Br2 N3.5 O2 P Re -","- C272 H228 Br16 N28 O16 P8 Re8 -","8","2","","Gryca, I.; Machura, B.; Małecki, J G; Shul'pina, Lidia S.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.","New p-tolylimido rhenium(v) complexes with carboxylate-based ligands: synthesis, structures and their catalytic potential in oxidations with peroxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5759","5776","10.1039/c3dt53511h","","","0.71073","MoKα","","0.064","0.0428","","","0.083","0.0888","","","","","","1.03","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029438","29.642","0.004","9.0327","0.0012","16.378","0.002","90","","113.031","0.003","90","","4035.6","0.9","386","2","386","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H11 Dy O9 -","- C21 H11 Dy O9 -","- C168 H88 Dy8 O72 -","8","1","","Wei, Xiao-Hua; Yang, Lin-Yan; Liao, Sheng-Yun; Zhang, Ming; Tian, Jin-Lei; Du, Pei-Yao; Gu, Wen; Liu, Xin","A series of rare earth complexes with novel non-interpenetrating 3D networks: synthesis, structures, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5793","5800","10.1039/c3dt53112k","","","0.71075","MoKα","","0.0419","0.0327","","","0.0751","0.0782","","","","","","1.06","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029439","29.797","0.003","9.0479","0.0008","16.3496","0.0014","90","","113.101","0.002","90","","4054.4","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H11 Eu O9 -","- C21 H11 Eu O9 -","- C168 H88 Eu8 O72 -","8","1","","Wei, Xiao-Hua; Yang, Lin-Yan; Liao, Sheng-Yun; Zhang, Ming; Tian, Jin-Lei; Du, Pei-Yao; Gu, Wen; Liu, Xin","A series of rare earth complexes with novel non-interpenetrating 3D networks: synthesis, structures, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5793","5800","10.1039/c3dt53112k","","","0.71075","MoKα","","0.0747","0.0626","","","0.1577","0.1675","","","","","","1.141","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029440","29.889","0.009","9.4071","0.0017","16.056","0.004","90","","112.318","0.008","90","","4176.3","1.8","386","2","386","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H22 Gd2 O19 -","- C42 H22 Gd2 O19 -","- C168 H88 Gd8 O76 -","4","0.5","","Wei, Xiao-Hua; Yang, Lin-Yan; Liao, Sheng-Yun; Zhang, Ming; Tian, Jin-Lei; Du, Pei-Yao; Gu, Wen; Liu, Xin","A series of rare earth complexes with novel non-interpenetrating 3D networks: synthesis, structures, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5793","5800","10.1039/c3dt53112k","","","0.71075","MoKα","","0.0888","0.0794","","","0.2039","0.2177","","","","","","1.099","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029441","29.66","0.03","9.249","0.008","16.298","0.014","90","","112.872","0.011","90","","4119","7","386","2","386","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 Ho O9.5 -","- C21 H11 Ho O10 -","- C168 H88 Ho8 O80 -","8","1","","Wei, Xiao-Hua; Yang, Lin-Yan; Liao, Sheng-Yun; Zhang, Ming; Tian, Jin-Lei; Du, Pei-Yao; Gu, Wen; Liu, Xin","A series of rare earth complexes with novel non-interpenetrating 3D networks: synthesis, structures, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5793","5800","10.1039/c3dt53112k","","","0.71075","MoKα","","0.1146","0.09","","","0.2465","0.2742","","","","","","1.09","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029442","29.762","0.006","9.1425","0.0018","16.364","0.003","90","","113.39","0.03","90","","4086.7","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H11 Nd O9 -","- C21 H11 Nd O9 -","- C168 H88 Nd8 O72 -","8","1","","Wei, Xiao-Hua; Yang, Lin-Yan; Liao, Sheng-Yun; Zhang, Ming; Tian, Jin-Lei; Du, Pei-Yao; Gu, Wen; Liu, Xin","A series of rare earth complexes with novel non-interpenetrating 3D networks: synthesis, structures, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5793","5800","10.1039/c3dt53112k","","","0.71073","MoKα","","0.0611","0.0456","","","0.1248","0.131","","","","","","1.048","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029443","29.888","0.006","9.0272","0.0018","16.467","0.003","90","","113.18","0.03","90","","4084.2","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H23 O19 Pr2 -","- C42 H23 O19 Pr2 -","- C168 H92 O76 Pr8 -","4","0.5","","Wei, Xiao-Hua; Yang, Lin-Yan; Liao, Sheng-Yun; Zhang, Ming; Tian, Jin-Lei; Du, Pei-Yao; Gu, Wen; Liu, Xin","A series of rare earth complexes with novel non-interpenetrating 3D networks: synthesis, structures, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5793","5800","10.1039/c3dt53112k","","","0.71073","MoKα","","0.0975","0.0653","","","0.1252","0.1374","","","","","","1.087","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029444","29.862","0.006","9.2002","0.0018","16.406","0.003","90","","112.94","0.03","90","","4150.9","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H11 O9 Sm -","- C21 H11 O9 Sm -","- C168 H88 O72 Sm8 -","8","1","","Wei, Xiao-Hua; Yang, Lin-Yan; Liao, Sheng-Yun; Zhang, Ming; Tian, Jin-Lei; Du, Pei-Yao; Gu, Wen; Liu, Xin","A series of rare earth complexes with novel non-interpenetrating 3D networks: synthesis, structures, magnetic and optical properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5793","5800","10.1039/c3dt53112k","","","0.71073","MoKα","","0.0632","0.0537","","","0.1665","0.1762","","","","","","1.08","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029445","21.713","0.0015","10.0823","0.0007","21.2984","0.0014","90","","105.315","0.007","90","","4497","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H60 N5 Nd O2 Si4 -","- C42 H60 N5 Nd O2 Si4 -","- C168 H240 N20 Nd4 O8 Si16 -","4","1","","Bennett, Stacey D.; Core, Bryony A.; Blake, Matthew P.; Pope, Simon J. A.; Mountford, Philip; Ward, Benjamin D.","Chiral lanthanide complexes: coordination chemistry, spectroscopy, and catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5871","5885","10.1039/c4dt00114a","","","0.71073","MoKα","","0.0344","0.0313","","","0.071","0.0766","","","","","","1.111","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029446","21.7225","0.0011","10.0865","0.0003","21.249","0.002","90","","105.02","0.01","90","","4496.7","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H60 N5 O2 Si4 Sm -","- C42 H60 N5 O2 Si4 Sm -","- C168 H240 N20 O8 Si16 Sm4 -","4","1","","Bennett, Stacey D.; Core, Bryony A.; Blake, Matthew P.; Pope, Simon J. A.; Mountford, Philip; Ward, Benjamin D.","Chiral lanthanide complexes: coordination chemistry, spectroscopy, and catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5871","5885","10.1039/c4dt00114a","","","0.71075","MoKα","","0.0216","0.0202","","","0.0439","0.0453","","","","","","1.068","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029447","59.156","0.004","13.337","0.001","18.566","0.001","90","","102.31","0.003","90","","14311.1","1.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H61 Eu N15 O11 P3 -","- C54 H61 Eu N15 O11 P3 -","- C432 H488 Eu8 N120 O88 P24 -","8","1","","Butler, Stephen J.; Delbianco, Martina; Evans, Nicholas H.; Frawley, Andrew T.; Pal, Robert; Parker, David; Puckrin, Robert S.; Yufit, Dmitry S.","Utility of tris(4-bromopyridyl) europium complexes as versatile intermediates in the divergent synthesis of emissive chiral probes.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5721","5730","10.1039/c4dt00253a","","x-ray","0.6889","Synchrotron","","0.0842","0.051","","","0.1214","0.1309","","","","","","0.989","","","","has coordinates,has disorder","180000","2020-10-21","18:00:00",""
"7029448","11.3568","0.0012","12.0897","0.0013","12.9531","0.0013","95.237","0.002","97.074","0.002","107.616","0.002","1666.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H52 Co3 N6 O18 -","- C66 H52 Co3 N6 O18 -","- C66 H52 Co3 N6 O18 -","1","0.5","","Cui, Lin; Yang, Guo-Ping; Wu, Wei-Ping; Miao, Hui-Hui; Shi, Qi-Zhen; Wang, Yao-Yu","Solvents and auxiliary ligands co-regulate three antiferromagnetic Co(ii) MOFs based on a semi-rigid carboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5823","5830","10.1039/c3dt53342e","","","0.71073","MoKα","","0.0627","0.0484","","","0.1017","0.1084","","","","","","1.007","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029449","10.3914","0.0007","12.7364","0.0009","13.0153","0.0009","107.453","0.007","105.23","0.008","97.342","0.008","1545.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 Co2 N2 O10 -","- C27 H21 Co2 N2 O10 -","- C54 H42 Co4 N4 O20 -","2","1","","Cui, Lin; Yang, Guo-Ping; Wu, Wei-Ping; Miao, Hui-Hui; Shi, Qi-Zhen; Wang, Yao-Yu","Solvents and auxiliary ligands co-regulate three antiferromagnetic Co(ii) MOFs based on a semi-rigid carboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5823","5830","10.1039/c3dt53342e","","","0.71073","MoKα","","0.0873","0.0678","","","0.1931","0.2093","","","","","","1.051","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029450","12.856","0.003","11.081","0.003","27.351","0.006","90","","114.913","0.009","90","","3533.8","1.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C78 H62 Co3 N8 O14 -","- C78 H62 Co3 N8 O14 -","- C156 H124 Co6 N16 O28 -","2","0.5","","Cui, Lin; Yang, Guo-Ping; Wu, Wei-Ping; Miao, Hui-Hui; Shi, Qi-Zhen; Wang, Yao-Yu","Solvents and auxiliary ligands co-regulate three antiferromagnetic Co(ii) MOFs based on a semi-rigid carboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5823","5830","10.1039/c3dt53342e","","","0.71073","MoKα","","0.1668","0.0706","","","0.1597","0.2246","","","","","","1.018","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029451","13.544","0.007","19.397","0.007","20.246","0.01","64.07","0.02","79.02","0.03","72.67","0.03","4555","4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H138 N4 Ni2 O9 -","- C102 H138 N4 Ni2 O9 -","- C204 H276 N8 Ni4 O18 -","2","1","","Achira, Hiroto; Ito, Muneyuki; Mutai, Toshiki; Yoshikawa, Isao; Araki, Koji; Houjou, Hirohiko","Spontaneous helical folding of bis(Ni-salphen) complexes in solution and in the solid state: spectroscopic tracking of the unfolding process induced by Na(+) ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5899","5907","10.1039/c3dt53397b","","","0.71075","MoKα","","0.1541","0.0961","","","0.1962","0.2446","","","","","","1.055","","","","has coordinates,has disorder","180000","2020-10-21","18:00:00",""
"7029452","13.3833","0.0008","9.8759","0.0006","17.7659","0.0011","90","","110.16","0.001","90","","2204.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N18 Ni2 O6 -","- C38 H50 N18 Ni2 O6 -","- C76 H100 N36 Ni4 O12 -","2","0.5","","Das, Mithun; Harms, Klaus; Chattopadhyay, Shouvik","Novel tandem synthesis of bis(μ-NN'-tetrazolate) bridged dinuclear nickel(ii) Schiff base complex via [3 + 2] cyclo-addition at ambient condition.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5643","5647","10.1039/c3dt52398e","","","0.71073","MoKα","","0.0557","0.0367","","","0.0675","0.0729","","","","","","1.094","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029453","23.311","0.0015","8.0645","0.0004","44.562","0.003","90","","92.994","0.006","90","","8365.8","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H86 Cl8 Cu4 N14 O30 -","- C72 H86 Cl8 Cu4 N14 O30 -","- C288 H344 Cl32 Cu16 N56 O120 -","4","0.5","","Grosshauser, Michael; Comba, Peter; Kim, Jee Young; Ohto, Keisuke; Thuéry, Pierre; Lee, Young Hoon; Kim, Yang; Harrowfield, Jack","Ferro- and antiferromagnetic coupling in a chlorido-bridged, tetranuclear Cu(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5662","5666","10.1039/c4dt00305e","","","0.71073","MoKα","","0.1073","0.0684","","","0.172","0.1964","","","","","","1.017","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029454","11.7339","0.0007","12.1454","0.0007","17.3108","0.0009","97.141","0.004","105.326","0.005","101.489","0.005","2290.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C102 H120 N12 O12 -","6","3","","Neeraj,; Kumar, Ajit; Kumar, Virendra; Prajapati, Rahul; Asthana, Sharad Kumar; Upadhyay, K. K.; Zhao, Jianzhang","A remarkable effect of N,N-diethylamino functionality on the optoelectronic properties of a salicylimine-based probe for Al(3+).","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5831","5839","10.1039/c3dt53263a","","","0.71073","MoKα","","0.064","0.0481","","","0.1197","0.1326","","","","","","1.078","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029455","18.242","0.005","11.925","0.005","17.097","0.005","90","0.005","108.114","0.005","90","0.005","3535","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 Cl N2 O3 -","- C17 H23 Cl N2 O3 -","- C136 H184 Cl8 N16 O24 -","8","1","","Neeraj,; Kumar, Ajit; Kumar, Virendra; Prajapati, Rahul; Asthana, Sharad Kumar; Upadhyay, K. K.; Zhao, Jianzhang","A remarkable effect of N,N-diethylamino functionality on the optoelectronic properties of a salicylimine-based probe for Al(3+).","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5831","5839","10.1039/c3dt53263a","","","0.71073","MoKα","","0.1826","0.0662","","","0.0832","0.1166","","","","","","0.979","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029456","8.1825","0.0005","15.0467","0.0011","14.7289","0.0012","90","","102.646","0.007","90","","1769.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C68 H84 N12 O20 -","4","1","","Neeraj,; Kumar, Ajit; Kumar, Virendra; Prajapati, Rahul; Asthana, Sharad Kumar; Upadhyay, K. K.; Zhao, Jianzhang","A remarkable effect of N,N-diethylamino functionality on the optoelectronic properties of a salicylimine-based probe for Al(3+).","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5831","5839","10.1039/c3dt53263a","","","0.71073","MoKα","","0.118","0.0545","","","0.0978","0.1243","","","","","","1.028","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029457","20.086","0.002","21.185","0.002","10.5333","0.0012","90","","90","","90","","4482.1","0.8","298","2","298","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C42 H60 Mo10 N28 O51 P4 Zn2 -","- C42 H50 Mo10 N28 O51 P4 Zn2 -","- C84 H100 Mo20 N56 O102 P8 Zn4 -","2","0.5","","Li, Zi-Liang; Wang, Ying; Zhang, Lan-Cui; Wang, Jian-Ping; You, Wan-Sheng; Zhu, Zai-Ming","Three molybdophosphates based on Strandberg-type anions and Zn(ii)-H2biim/H2O subunits: syntheses, structures and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5840","5846","10.1039/c3dt53023j","","","0.71073","MoKα","","0.0432","0.0344","","","0.0733","0.0774","","","","","","1.036","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029458","11.112","0.0016","11.3558","0.0016","21.988","0.003","100.062","0.002","93.345","0.002","116.935","0.002","2405.5","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H74 Mo10 N32 O55 P4 Zn -","- C48 H60 Mo10 N32 O55 P4 Zn -","- C48 H60 Mo10 N32 O55 P4 Zn -","1","0.5","","Li, Zi-Liang; Wang, Ying; Zhang, Lan-Cui; Wang, Jian-Ping; You, Wan-Sheng; Zhu, Zai-Ming","Three molybdophosphates based on Strandberg-type anions and Zn(ii)-H2biim/H2O subunits: syntheses, structures and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5840","5846","10.1039/c3dt53023j","","","0.71073","MoKα","","0.0355","0.0335","","","0.0876","0.0892","","","","","","1.029","","","","has coordinates,has disorder","180000","2020-10-21","18:00:00",""
"7029459","11.1295","0.0008","20.2353","0.0015","21.9751","0.0016","76.875","0.001","86.542","0.001","87.499","0.001","4808.6","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H78 Mo10 N32 O56 P4 Zn -","- C48 H58 Mo10 N32 O56 P4 Zn -","- C96 H116 Mo20 N64 O112 P8 Zn2 -","2","1","","Li, Zi-Liang; Wang, Ying; Zhang, Lan-Cui; Wang, Jian-Ping; You, Wan-Sheng; Zhu, Zai-Ming","Three molybdophosphates based on Strandberg-type anions and Zn(ii)-H2biim/H2O subunits: syntheses, structures and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5840","5846","10.1039/c3dt53023j","","","0.71073","MoKα","","0.0636","0.043","","","0.1157","0.1293","","","","","","1.051","","","","has coordinates,has disorder","180000","2020-10-21","18:00:00",""
"7029460","11.6415","0.0007","16.092","0.0004","13.2243","0.0008","90","","132.228","0.011","90","","1834.4","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Li O11 Y -","- C16 H14 Li O11 Y -","- C64 H56 Li4 O44 Y4 -","4","1","","Abdelbaky, Mohammed S. M.; Amghouz, Zakariae; García-Granda, Santiago; García, José R","A metal-organic framework assembled from Y(iii), Li(i), and terephthalate: hydrothermal synthesis, crystal structure, thermal decomposition and topological studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5739","5746","10.1039/c3dt53415d","","","0.71073","MoKα","","0.0901","0.0432","","","0.0806","0.0972","","","","","","1.011","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029461","5.6928","0.0008","7.4902","0.001","5.2646","0.0007","90","","90","","90","","224.48","0.05","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Mn O6 Y2 -","- Fe Mn O6 Y2 -","- Fe2 Mn2 O12 Y4 -","2","0.25","","Liu, Fuyang; Li, Junjia; Li, Qiliang; Wang, Ying; Zhao, Xudong; Hua, Yingjie; Wang, Chongtai; Liu, Xiaoyang","High pressure synthesis, structure, and multiferroic properties of two perovskite compounds Y2FeMnO6 and Y2CrMnO6.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1691","1698","10.1039/c3dt52336e","","","0.71073","MoKα","","0.0151","0.0138","","","0.0345","0.0351","","","","","","1.178","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029462","16.2957","0.0009","18.2873","0.001","18.9512","0.001","90","","91.857","0.002","90","","5644.6","0.5","120","2","120","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C98 H98 Au6 F12 N2 O4 P8 -","- C98 H98 Au6 F12 N2 O4 P8 -","- C196 H196 Au12 F24 N4 O8 P16 -","2","0.5","","Shakirova, Julia R.; Grachova, Elena V.; Karttunen, Antti J.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Koshevoy, Igor O.","Metallophilicity-assisted assembly of phosphine-based cage molecules.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6236","6243","10.1039/c3dt53645a","","","0.71073","MoKα","","0.106","0.0789","","","0.1808","0.1977","","","","","","1.078","","","","has coordinates,has disorder","180000","2020-10-21","18:00:00",""
"7029463","30.2941","0.0017","34.3378","0.0019","26.6065","0.0015","90","","99.732","0.001","90","","27279","3","210","2","210","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C260.47 H224.7 Au12 Cl8.95 F24 N4 P16 -","- C260.444 H224.648 Au12 Cl8.888 F24 N4 P16 -","- C1041.78 H898.592 Au48 Cl35.552 F96 N16 P64 -","4","0.5","","Shakirova, Julia R.; Grachova, Elena V.; Karttunen, Antti J.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Koshevoy, Igor O.","Metallophilicity-assisted assembly of phosphine-based cage molecules.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6236","6243","10.1039/c3dt53645a","","","0.71073","MoKα","","0.1276","0.0677","","","0.1993","0.2263","","","","","","0.987","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029464","11.76","0.0007","11.1632","0.0006","10.628","0.0006","90","","98.648","0.003","90","","1379.37","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl N3 -","- C13 H18 Cl N3 -","- C52 H72 Cl4 N12 -","4","1","","Amarante, Tatiana R.; Neves, Patrícia; Paz, Filipe A Almeida; Valente, Anabela A.; Pillinger, Martyn; Gonçalves, Isabel S","Investigation of a dichlorodioxomolybdenum(vi)-pyrazolylpyridine complex and a hybrid derivative as catalysts in olefin epoxidation.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6059","6069","10.1039/c3dt52981a","","","0.71073","MoKα","","0.064","0.0415","","","0.1009","0.1139","","","","","","0.965","","","","has coordinates,has disorder","180000","2020-10-21","18:00:00",""
"7029465","8.4532","0.0005","11.4651","0.0008","32.826","0.003","90","","90","","90","","3181.4","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H17 Cl2 Mo N3 O2 -","- C13 H17 Cl2 Mo N3 O2 -","- C104 H136 Cl16 Mo8 N24 O16 -","8","1","","Amarante, Tatiana R.; Neves, Patrícia; Paz, Filipe A Almeida; Valente, Anabela A.; Pillinger, Martyn; Gonçalves, Isabel S","Investigation of a dichlorodioxomolybdenum(vi)-pyrazolylpyridine complex and a hybrid derivative as catalysts in olefin epoxidation.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6059","6069","10.1039/c3dt52981a","","","0.71073","MoKα","","0.0898","0.0448","","","0.08","0.0927","","","","","","0.996","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029466","10.4162","0.0004","21.7789","0.0009","20.2709","0.0009","90","","97.932","0.003","90","","4554.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H43 N3 O3 P2 Ru -","- C54 H43 N3 O3 P2 Ru -","- C216 H172 N12 O12 P8 Ru4 -","4","1","","Alagesan, Mani; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","An investigation on new ruthenium(ii) hydrazone complexes as anticancer agents and their interaction with biomolecules.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6087","6099","10.1039/c3dt51949j","","","0.71073","MoKα","","0.0899","0.0527","","","0.1281","0.1506","","","","","","1.059","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029467","15.779","0.002","12.7157","0.0016","14.1337","0.0018","90","","98.491","0.002","90","","2804.7","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 Cl2 N3 O4 Ru S2 -","- C21 H25 Cl2 N3 O4 Ru S2 -","- C84 H100 Cl8 N12 O16 Ru4 S8 -","4","1","","Alagesan, Mani; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","An investigation on new ruthenium(ii) hydrazone complexes as anticancer agents and their interaction with biomolecules.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6087","6099","10.1039/c3dt51949j","","","0.71073","MoKα","","0.0456","0.0431","","","0.095","0.0957","","","","","","1.319","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029468","8.759","0.0003","9.0172","0.0003","11.5858","0.0004","95.611","0.002","111.116","0.002","95.79","0.002","840.35","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cu N3 O5 -","- C19 H13 Cu N3 O5 -","- C38 H26 Cu2 N6 O10 -","2","1","","Loganathan, Rangasamy; Ramakrishnan, Sethu; Suresh, Eringathodi; Palaniandavar, Mallayan; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar","Mixed ligand μ-phenoxo-bridged dinuclear copper(ii) complexes with diimine co-ligands: efficient chemical nuclease and protease activities and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6177","6194","10.1039/c3dt52518j","","","0.71073","MoKα","","0.034","0.0311","","","0.0903","0.0936","","","","","","1.05","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029469","8.483","0.004","9.426","0.005","11.88","0.006","78.045","0.008","69.619","0.008","82.745","0.008","869.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 Cl Cu N2 O6 -","- C17 H13 Cl Cu N2 O6 -","- C34 H26 Cl2 Cu2 N4 O12 -","2","1","","Loganathan, Rangasamy; Ramakrishnan, Sethu; Suresh, Eringathodi; Palaniandavar, Mallayan; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar","Mixed ligand μ-phenoxo-bridged dinuclear copper(ii) complexes with diimine co-ligands: efficient chemical nuclease and protease activities and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6177","6194","10.1039/c3dt52518j","","","0.71073","MoKα","","0.0687","0.0583","","","0.1298","0.1351","","","","","","1.116","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029470","9.315","0.005","10.88","0.006","11.981","0.006","100.812","0.008","110.455","0.008","94.285","0.008","1104.4","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 Cl Cu N2 O6 -","- C23 H21 Cl Cu N2 O6 -","- C46 H42 Cl2 Cu2 N4 O12 -","2","1","","Loganathan, Rangasamy; Ramakrishnan, Sethu; Suresh, Eringathodi; Palaniandavar, Mallayan; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar","Mixed ligand μ-phenoxo-bridged dinuclear copper(ii) complexes with diimine co-ligands: efficient chemical nuclease and protease activities and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6177","6194","10.1039/c3dt52518j","","","0.71073","MoKα","","0.0736","0.0581","","","0.1519","0.1664","","","","","","1.069","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029471","9.1505","0.0016","9.2236","0.0016","11.473","0.002","95.496","0.003","111.093","0.003","97.275","0.003","885.7","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H13 Cl Cu N2 O6 -","- C19 H13 Cl Cu N2 O6 -","- C38 H26 Cl2 Cu2 N4 O12 -","2","1","","Loganathan, Rangasamy; Ramakrishnan, Sethu; Suresh, Eringathodi; Palaniandavar, Mallayan; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar","Mixed ligand μ-phenoxo-bridged dinuclear copper(ii) complexes with diimine co-ligands: efficient chemical nuclease and protease activities and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6177","6194","10.1039/c3dt52518j","","","0.71073","MoKα","","0.0656","0.0596","","","0.1249","0.1272","","","","","","1.231","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029472","9.5074","0.0005","9.5783","0.0005","11.9155","0.0006","96.8542","0.0007","105.609","0.0007","117.541","0.0006","888.09","0.08","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 Cl2 Cu N6 O2 -","- C15 H14 Cl2 Cu N6 O2 -","- C30 H28 Cl4 Cu2 N12 O4 -","2","1","","Sasmal, Ashok; Bauzá, Antonio; Frontera, Antonio; Rizzoli, Corrado; Desplanches, Cédric; Charbonnière, Loïc J; Mitra, Samiran","Relevant and unprecedented C-H/σ supramolecular interactions involving σ-aromatic M2X2 cores.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6195","6211","10.1039/c3dt52162a","","","0.71073","MoKα","","0.0366","0.0323","","","0.0962","0.0992","","","","","","1.087","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029473","9.7653","0.0008","10.1887","0.0011","10.3492","0.0012","101.924","0.003","97.576","0.002","115.951","0.003","876.51","0.16","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 Cu I N6 O2 -","- C15 H14 Cu I N6 O2 -","- C30 H28 Cu2 I2 N12 O4 -","2","1","","Sasmal, Ashok; Bauzá, Antonio; Frontera, Antonio; Rizzoli, Corrado; Desplanches, Cédric; Charbonnière, Loïc J; Mitra, Samiran","Relevant and unprecedented C-H/σ supramolecular interactions involving σ-aromatic M2X2 cores.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6195","6211","10.1039/c3dt52162a","","","0.71073","MoKα","","0.0604","0.0456","","","0.1184","0.1272","","","","","","1.024","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029474","8.9859","0.0011","17.166","0.002","27.48","0.003","90","","90.734","0.002","90","","4238.5","0.9","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Br4 Cu2 N14 O4 -","- C34 H34 Br4 Cu2 N14 O4 -","- C136 H136 Br16 Cu8 N56 O16 -","4","0.5","","Sasmal, Ashok; Bauzá, Antonio; Frontera, Antonio; Rizzoli, Corrado; Desplanches, Cédric; Charbonnière, Loïc J; Mitra, Samiran","Relevant and unprecedented C-H/σ supramolecular interactions involving σ-aromatic M2X2 cores.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6195","6211","10.1039/c3dt52162a","","","0.71073","MoKα","","0.0885","0.0519","","","0.1199","0.1294","","","","","","1.014","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029475","23.2023","0.0004","13.8267","0.0002","18.1353","0.0003","90","","104.409","0.002","90","","5635","0.17","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H46 Au2 Cl4 P2 S2 -","- C56 H42 Au2 Cl4 P2 S2 -","- C224 H168 Au8 Cl16 P8 S8 -","4","0.5","","Monzittu, Francesco M.; Fernández-Moreira, Vanesa; Lippolis, Vito; Arca, Massimiliano; Laguna, Antonio; Gimeno, M Concepción","Different emissive properties in dithiolate gold(i) complexes as a function of the presence of phenylene spacers.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6212","6220","10.1039/c3dt53530d","","","0.71073","MoKα","","0.0336","0.0287","","","0.072","0.0746","","","","","","1.068","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7029476","14.4157","0.0002","9.0211","0.0001","16.5956","0.0002","90","","105.805","0.001","90","","2076.59","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Au2 P2 S2 -","- C50 H42 Au2 P2 S2 -","- C100 H84 Au4 P4 S4 -","2","0.5","","Monzittu, Francesco M.; Fernández-Moreira, Vanesa; Lippolis, Vito; Arca, Massimiliano; Laguna, Antonio; Gimeno, M Concepción","Different emissive properties in dithiolate gold(i) complexes as a function of the presence of phenylene spacers.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6212","6220","10.1039/c3dt53530d","","","0.71073","MoKα","","0.0143","0.0133","","","0.033","0.0333","","","","","","1.059","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7029477","14.48","0.003","15.85","0.003","16.89","0.003","90","","97.86","0.03","90","","3840","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H36 Au2 N2 P2 S2 -","- C46 H36 Au2 N2 P2 S2 -","- C184 H144 Au8 N8 P8 S8 -","4","0.5","","Monzittu, Francesco M.; Fernández-Moreira, Vanesa; Lippolis, Vito; Arca, Massimiliano; Laguna, Antonio; Gimeno, M Concepción","Different emissive properties in dithiolate gold(i) complexes as a function of the presence of phenylene spacers.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6212","6220","10.1039/c3dt53530d","","","0.71073","MoKα","","0.0583","0.0383","","","0.0905","0.0998","","","","","","1.023","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7029478","8.0066","0.0016","10.946","0.002","13.085","0.003","83.58","0.03","73.91","0.03","80.08","0.03","1082.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Au2 N2 P2 S2 -","- C52 H40 Au2 N2 P2 S2 -","- C52 H40 Au2 N2 P2 S2 -","1","0.5","","Monzittu, Francesco M.; Fernández-Moreira, Vanesa; Lippolis, Vito; Arca, Massimiliano; Laguna, Antonio; Gimeno, M Concepción","Different emissive properties in dithiolate gold(i) complexes as a function of the presence of phenylene spacers.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6212","6220","10.1039/c3dt53530d","","","0.71073","MoKα","","0.0772","0.0489","","","0.0692","0.079","","","","","","1.026","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7029479","32.701","0.007","18.016","0.004","23.371","0.005","90","","114.2","0.03","90","","12559","6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C127 H153 F12 N10 O29 Ru4 S4 -","- C127 H98 F12 N10 O29 Ru4 S4 -","- C508 H392 F48 N40 O116 Ru16 S16 -","4","0.5","","Mishra, Anurag; Ravikumar, Sambandam; Song, Young Ho; Prabhu, Nadarajan Saravanan; Kim, Hyunuk; Hong, Soon Ho; Cheon, Seyeon; Noh, Jaegeun; Chi, Ki-Whan","A new arene-Ru based supramolecular coordination complex for efficient binding and selective sensing of green fluorescent protein.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6032","6040","10.1039/c3dt53186d","","","0.8","synchrotron","","0.1032","0.0907","","","0.2811","0.2939","","","","","","1.3","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029480","9.0288","0.0005","9.0787","0.0004","11.5349","0.0006","71.459","0.004","80.307","0.004","65.603","0.005","815.64","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H48 Ge N2 -","- C37 H48 Ge N2 -","- C37 H48 Ge N2 -","1","1","","Tan, Gengwen; Wang, Wenyuan; Blom, Burgert; Driess, Matthias","Mechanistic studies of CO2 reduction to methanol mediated by an N-heterocyclic germylene hydride.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6006","6011","10.1039/c3dt53321b","","","0.71073","MoKα","","0.0224","0.0224","","","0.0582","0.0583","","","","","","1.049","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029481","11.877","0.0011","18.408","0.0017","16.0265","0.0015","90","","105.434","0.009","90","","3377.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Ge N2 O2 -","- C38 H48 Ge N2 O2 -","- C152 H192 Ge4 N8 O8 -","4","1","","Tan, Gengwen; Wang, Wenyuan; Blom, Burgert; Driess, Matthias","Mechanistic studies of CO2 reduction to methanol mediated by an N-heterocyclic germylene hydride.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6006","6011","10.1039/c3dt53321b","","","0.71073","MoKα","","0.057","0.0418","","","0.0909","0.0969","","","","","","1.03","","","","has coordinates,has disorder","180000","2020-10-21","18:00:00",""
"7029482","24.8625","0.0003","15.1844","0.0002","14.7693","0.0002","90","","94.271","0.001","90","","5560.25","0.12","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H84 Al Ge N4 O2 -","- C59 H84 Al Ge N4 O2 -","- C236 H336 Al4 Ge4 N16 O8 -","4","0.5","","Tan, Gengwen; Wang, Wenyuan; Blom, Burgert; Driess, Matthias","Mechanistic studies of CO2 reduction to methanol mediated by an N-heterocyclic germylene hydride.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6006","6011","10.1039/c3dt53321b","","","1.54178","CuKα","","0.0474","0.0437","","","0.1225","0.1291","","","","","","1.022","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029483","24.853","0.001","15.1491","0.0006","14.8791","0.0006","90","","93.999","0.004","90","","5588.4","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H86 Al2 N4 O4 -","- C60 H86 Al2 N4 O4 -","- C240 H344 Al8 N16 O16 -","4","0.5","","Tan, Gengwen; Wang, Wenyuan; Blom, Burgert; Driess, Matthias","Mechanistic studies of CO2 reduction to methanol mediated by an N-heterocyclic germylene hydride.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6006","6011","10.1039/c3dt53321b","","","1.54178","CuKα","","0.0582","0.0529","","","0.1409","0.1485","","","","","","1.052","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029484","6.9016","0.0006","10.1652","0.0009","15.25","0.0013","83.715","0.002","78.047","0.002","77.496","0.002","1019.52","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Eu2 N8 O15 S2 -","- C40 H32 Eu2 N8 O15 S2 -","- C40 H32 Eu2 N8 O15 S2 -","1","0.5","","Song, Shuang; Li, Xia; Zhang, Yi-Hua; Huo, Rui; Ma, Dou","White light emission by a lanthanide doped Sm(iii) framework constructed from 4-sulfobenzoate and 1H-imidazo[4,5-f][1,10]-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","5974","5977","10.1039/c3dt53139b","","","0.71073","MoKα","","0.0536","0.0448","","","0.1017","0.1066","","","","","","1.025","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029485","6.8982","0.0004","10.1549","0.0006","15.2233","0.0008","83.812","0.001","78.138","0.001","77.515","0.001","1016.71","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Gd2 N8 O15 S2 -","- C40 H32 Gd2 N8 O15 S2 -","- C40 H32 Gd2 N8 O15 S2 -","1","0.5","","Song, Shuang; Li, Xia; Zhang, Yi-Hua; Huo, Rui; Ma, Dou","White light emission by a lanthanide doped Sm(iii) framework constructed from 4-sulfobenzoate and 1H-imidazo[4,5-f][1,10]-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","5974","5977","10.1039/c3dt53139b","","","0.71073","MoKα","","0.0252","0.0232","","","0.0639","0.0653","","","","","","0.916","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029486","6.92","0.0004","10.1694","0.0006","15.2822","0.0009","83.621","0.001","78.029","0.001","77.61","0.001","1025.05","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 N8 O15 S2 Sm2 -","- C40 H32 N8 O15 S2 Sm2 -","- C40 H32 N8 O15 S2 Sm2 -","1","0.5","","Song, Shuang; Li, Xia; Zhang, Yi-Hua; Huo, Rui; Ma, Dou","White light emission by a lanthanide doped Sm(iii) framework constructed from 4-sulfobenzoate and 1H-imidazo[4,5-f][1,10]-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","5974","5977","10.1039/c3dt53139b","","","0.71073","MoKα","","0.0334","0.0301","","","0.0752","0.0778","","","","","","0.975","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029487","6.8766","0.0007","10.1482","0.001","15.1965","0.0015","83.857","0.002","78.023","0.002","77.275","0.002","1009.83","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 N8 O15 S2 Tb2 -","- C40 H32 N8 O15 S2 Tb2 -","- C40 H32 N8 O15 S2 Tb2 -","1","0.5","","Song, Shuang; Li, Xia; Zhang, Yi-Hua; Huo, Rui; Ma, Dou","White light emission by a lanthanide doped Sm(iii) framework constructed from 4-sulfobenzoate and 1H-imidazo[4,5-f][1,10]-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","5974","5977","10.1039/c3dt53139b","","","0.71073","MoKα","","0.0574","0.0456","","","0.0983","0.1042","","","","","","1.017","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029488","9.4565","0.0004","11.2896","0.0004","12.7937","0.0005","90","","103.765","0.004","90","","1326.63","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Mn N4 Se3 Sn -","- C4 H16 Mn N4 Se3 Sn -","- C16 H64 Mn4 N16 Se12 Sn4 -","4","1","","Du, Cheng-Feng; Feng, Mei-Ling; Li, Jian-Rong; Zou, Guo-Dong; Du, Ke-Zhao; Huang, Xiao-Ying","Assembly and structural transformation of organic-decorated manganese selenidostannates.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6002","6005","10.1039/c3dt53346h","","","0.71073","MoKα","","0.0442","0.0291","","","0.0507","0.0555","","","","","","1.008","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029489","13.929","0.0005","7.5261","0.0002","19.2572","0.0009","90","","90","","90","","2018.75","0.13","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2 H8 Mn N2 Se3 Sn -","- C2 H8 Mn N2 Se3 Sn -","- C16 H64 Mn8 N16 Se24 Sn8 -","8","1","","Du, Cheng-Feng; Feng, Mei-Ling; Li, Jian-Rong; Zou, Guo-Dong; Du, Ke-Zhao; Huang, Xiao-Ying","Assembly and structural transformation of organic-decorated manganese selenidostannates.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6002","6005","10.1039/c3dt53346h","","","0.71073","MoKα","","0.0631","0.0478","","","0.1221","0.1338","","","","","","1.046","","","","has coordinates,has disorder","180000","2020-10-21","18:00:00",""
"7029490","13.1101","0.0004","14.8267","0.0006","7.9466","0.0002","90","","90","","90","","1544.66","0.09","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H16 Mn2 N4 Se4 Sn -","- C4 H16 Mn2 N4 Se4 Sn -","- C16 H64 Mn8 N16 Se16 Sn4 -","4","0.5","","Du, Cheng-Feng; Feng, Mei-Ling; Li, Jian-Rong; Zou, Guo-Dong; Du, Ke-Zhao; Huang, Xiao-Ying","Assembly and structural transformation of organic-decorated manganese selenidostannates.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6002","6005","10.1039/c3dt53346h","","","0.71073","MoKα","","0.0328","0.0234","","","0.0506","0.0538","","","","","","1.041","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029491","23.3418","0.0015","26.5625","0.0016","24.9717","0.0017","90","","112.984","0.002","90","","14253.7","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C130 H160 N10 Ni15 O80 -","- C130 H160 N10 Ni15 O80 -","- C260 H320 N20 Ni30 O160 -","2","1","","Thio, Yude; Toh, Shi Wei; Xue, Feng; Vittal, Jagadese J.","Self-assembly of a 15-nickel metallamacrocyclic complex derived from the l-glutamic acid Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","5998","6001","10.1039/c4dt00257a","","","0.71073","MoKα","","0.0758","0.055","","","0.1257","0.1323","","","","","","1.034","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029492","6.176","0.007","10.596","0.015","17.466","0.017","90","","90","","90","","1143","2","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- Bi2 K4 Zn -","- Bi2 K4 Zn -","- Bi8 K16 Zn4 -","4","0.5","","Qin, Qian; Zhou, Liujiang; Wang, Yi; Sang, Ruili; Xu, Li","Linear triatomic [ZnBi2](4-) in K4ZnBi2.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","5990","5993","10.1039/c3dt53419g","","","0.71073","MoKα","","0.0928","0.0881","","","0.218","0.2212","","","","","","1.446","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029493","35.285","0.003","35.285","0.003","12.398","0.003","90","","90","","120","","13368","4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H20 Al O10 P3 -","- C12 H20 Al O10 P3 -","- C216 H360 Al18 O180 P54 -","18","1","","Tang, Si-Fu; Cai, Jin-Jun; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","A highly porous three-dimensional aluminum phosphonate with hexagonal channels: synthesis, structure and adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","5970","5973","10.1039/c3dt53167h","","","0.71073","MoKα","","0.1184","0.0567","","","0.1223","0.1495","","","","","","0.998","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029494","10.3954","0.0006","12.7503","0.0007","14.0871","0.0009","63.338","0.001","89.978","0.001","86.005","0.001","1663.58","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H18 N6 O8 Zn -","- C29 H18 N6 O8 Zn -","- C58 H36 N12 O16 Zn2 -","2","1","","Sen, Susan; Neogi, Subhadip; Aijaz, Arshad; Xu, Qiang; Bharadwaj, Parimal K.","Structural variation in Zn(ii) coordination polymers built with a semi-rigid tetracarboxylate and different pyridine linkers: synthesis and selective CO2 adsorption studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6100","6107","10.1039/c3dt52977k","","","0.71073","MoKα","","0.0696","0.0469","","","0.1151","0.1216","","","","","","1.037","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029495","18.9292","0.0016","24.32","0.002","9.6354","0.0008","90","","90","","90","","4435.7","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H34 N4 O10 Zn2 -","- C39 H34 N4 O10 Zn2 -","- C156 H136 N16 O40 Zn8 -","4","0.5","","Sen, Susan; Neogi, Subhadip; Aijaz, Arshad; Xu, Qiang; Bharadwaj, Parimal K.","Structural variation in Zn(ii) coordination polymers built with a semi-rigid tetracarboxylate and different pyridine linkers: synthesis and selective CO2 adsorption studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6100","6107","10.1039/c3dt52977k","","","0.71073","MoKα","","0.1138","0.0885","","","0.264","0.2833","","","","","","1.136","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029496","23.4346","0.0012","23.4346","0.0012","14.915","0.0015","90","","90","","90","","8191","1","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C15 H20 N6 O5 Zn -","- C15 H10 N6 Zn -","- C240 H160 N96 Zn16 -","16","1","","Chen, Shui-Sheng; Wang, Peng; Takamizawa, Satoshi; Okamura, Taka-Aki; Chen, Min; Sun, Wei-Yin","Zinc(ii) and cadmium(ii) metal-organic frameworks with 4-imidazole containing tripodal ligand: sorption and anion exchange properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6012","6020","10.1039/c3dt53388c","","","0.71073","MoKα","","0.0537","0.0416","","","0.0917","0.0956","","","","","","0.998","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029497","17.542","0.005","17.542","0.005","17.542","0.005","90","","90","","90","","5398","3","200","","200","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","C30 H42 Cd Cl2 N12 O18.50","","- C30 H42 Cd Cl2 N12 O18.5 -","- C30 H24 Cd Cl2.004 N12 O18.5036 -","- C120 H96 Cd4 Cl8.016 N48 O74.0144 -","4","0.166667","","Chen, Shui-Sheng; Wang, Peng; Takamizawa, Satoshi; Okamura, Taka-Aki; Chen, Min; Sun, Wei-Yin","Zinc(ii) and cadmium(ii) metal-organic frameworks with 4-imidazole containing tripodal ligand: sorption and anion exchange properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6012","6020","10.1039/c3dt53388c","","","0.71075","MoKα","","0.101","0.0705","","","0.1981","0.2183","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029498","10.447","0.003","10.886","0.003","11.875","0.003","69.437","0.005","84.878","0.005","79.669","0.005","1243.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 N6 O16 S2 Sm2 -","- C38 H48 N6 O16 S2 Sm2 -","- C38 H48 N6 O16 S2 Sm2 -","1","0.5","","Zhang, Haixia; Lin, Shuang-Yan; Xue, Shufang; Wang, Chao; Tang, Jinkui","Acetato-bridged dinuclear lanthanide complexes with single molecule magnet behaviour for the Dy2 species.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6262","6268","10.1039/c3dt53366b","","","0.71073","MoKα","","0.0713","0.052","","","0.1288","0.1432","","","","","","1.052","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029499","10.198","0.011","10.642","0.011","11.568","0.012","69.6","0.02","85.69","0.02","81.48","0.02","1163","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Gd2 N6 O16 S2 -","- C38 H48 Gd2 N6 O16 S2 -","- C38 H48 Gd2 N6 O16 S2 -","1","0.5","","Zhang, Haixia; Lin, Shuang-Yan; Xue, Shufang; Wang, Chao; Tang, Jinkui","Acetato-bridged dinuclear lanthanide complexes with single molecule magnet behaviour for the Dy2 species.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6262","6268","10.1039/c3dt53366b","","","0.71073","MoKα","","0.1575","0.0931","","","0.2218","0.2698","","","","","","0.956","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029500","10.31","0.005","10.622","0.005","11.674","0.006","69.65","0.009","85.71","0.008","81.099","0.008","1183.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Dy2 N6 O16 S2 -","- C38 H48 Dy2 N6 O16 S2 -","- C38 H48 Dy2 N6 O16 S2 -","1","0.5","","Zhang, Haixia; Lin, Shuang-Yan; Xue, Shufang; Wang, Chao; Tang, Jinkui","Acetato-bridged dinuclear lanthanide complexes with single molecule magnet behaviour for the Dy2 species.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6262","6268","10.1039/c3dt53366b","","","0.71073","MoKα","","0.0547","0.0405","","","0.0896","0.0982","","","","","","1.024","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029501","9.3882","0.0012","10.9654","0.0014","13.1679","0.0016","111.464","0.002","92.422","0.002","91.767","0.002","1258.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H56 N6 O20 S2 Tm2 -","- C38 H48 N6 O20 S2 Tm2 -","- C38 H48 N6 O20 S2 Tm2 -","1","0.5","","Zhang, Haixia; Lin, Shuang-Yan; Xue, Shufang; Wang, Chao; Tang, Jinkui","Acetato-bridged dinuclear lanthanide complexes with single molecule magnet behaviour for the Dy2 species.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6262","6268","10.1039/c3dt53366b","","","0.71073","MoKα","","0.0371","0.031","","","0.0729","0.0765","","","","","","1.053","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029502","10.885","0.004","12.424","0.004","17.847","0.007","70.887","0.006","73.303","0.006","89.712","0.006","2173.7","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H84 N12 O32 S4 Yb4 -","- C70 H72 N12 O32 S4 Yb4 -","- C70 H72 N12 O32 S4 Yb4 -","1","0.5","","Zhang, Haixia; Lin, Shuang-Yan; Xue, Shufang; Wang, Chao; Tang, Jinkui","Acetato-bridged dinuclear lanthanide complexes with single molecule magnet behaviour for the Dy2 species.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6262","6268","10.1039/c3dt53366b","","","0.71073","MoKα","","0.0405","0.0302","","","0.07","0.0751","","","","","","1.036","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029503","12.9083","0.0013","13.9442","0.0014","15.0273","0.0015","94.571","0.003","109.244","0.003","110.955","0.003","2324.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H11 F3 N5 Ni S4 -","- C21 H11 F3 N5 Ni S4 -","- C84 H44 F12 N20 Ni4 S16 -","4","2","","Chen, Xuan-Rong; Ning, Wei-Hua; Yang, Hao; Liu, Jian-Lan; Xuan, Fang; Ren, Xiao-Ming","Observation of hysteretic magnetic phase transitions coupled with orientation motion of ions and dielectric relaxation in a one-dimensional nickel-bis-dithiolene molecule solid.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6251","6261","10.1039/c3dt53481b","","","0.71073","MoKα","","0.066","0.0369","","","0.0763","0.0859","","","","","","1.001","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029504","12.9505","0.001","14.0017","0.0007","15.0589","0.0012","94.534","0.006","109.066","0.007","111.091","0.006","2347.3","0.3","125.2","","125.2","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H11 F3 N5 Ni S4 -","- C21 H11 F3 N5 Ni S4 -","- C84 H44 F12 N20 Ni4 S16 -","4","2","","Chen, Xuan-Rong; Ning, Wei-Hua; Yang, Hao; Liu, Jian-Lan; Xuan, Fang; Ren, Xiao-Ming","Observation of hysteretic magnetic phase transitions coupled with orientation motion of ions and dielectric relaxation in a one-dimensional nickel-bis-dithiolene molecule solid.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6251","6261","10.1039/c3dt53481b","","","0.71073","MoKα","","0.0915","0.0602","","","0.1448","0.1644","","","","","","0.964","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029505","12.9281","0.0004","14.0427","0.0005","15.1169","0.0006","94.533","0.003","109.027","0.003","111.286","0.003","2356","0.17","145","","145","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H11 F3 N5 Ni S4 -","- C21 H11 F3 N5 Ni S4 -","- C84 H44 F12 N20 Ni4 S16 -","4","2","","Chen, Xuan-Rong; Ning, Wei-Hua; Yang, Hao; Liu, Jian-Lan; Xuan, Fang; Ren, Xiao-Ming","Observation of hysteretic magnetic phase transitions coupled with orientation motion of ions and dielectric relaxation in a one-dimensional nickel-bis-dithiolene molecule solid.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6251","6261","10.1039/c3dt53481b","","","0.71073","MoKα","","0.062","0.0399","","","0.0864","0.0944","","","","","","1.017","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029506","12.9314","0.0004","14.064","0.0004","15.1632","0.0005","94.518","0.003","108.962","0.003","111.444","0.003","2365.57","0.15","165.3","","165.3","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H11 F3 N5 Ni S4 -","- C21 H11 F3 N5 Ni S4 -","- C84 H44 F12 N20 Ni4 S16 -","4","2","","Chen, Xuan-Rong; Ning, Wei-Hua; Yang, Hao; Liu, Jian-Lan; Xuan, Fang; Ren, Xiao-Ming","Observation of hysteretic magnetic phase transitions coupled with orientation motion of ions and dielectric relaxation in a one-dimensional nickel-bis-dithiolene molecule solid.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6251","6261","10.1039/c3dt53481b","","","0.71073","MoKα","","0.0686","0.0418","","","0.0891","0.0989","","","","","","1.01","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029507","12.8027","0.0009","14.5132","0.001","15.792","0.0011","94.218","0.005","111.499","0.006","114.488","0.007","2394.8","0.4","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H11 F3 N5 Ni S4 -","- C21 H11 F3 N5 Ni S4 -","- C84 H44 F12 N20 Ni4 S16 -","4","2","","Chen, Xuan-Rong; Ning, Wei-Hua; Yang, Hao; Liu, Jian-Lan; Xuan, Fang; Ren, Xiao-Ming","Observation of hysteretic magnetic phase transitions coupled with orientation motion of ions and dielectric relaxation in a one-dimensional nickel-bis-dithiolene molecule solid.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6251","6261","10.1039/c3dt53481b","","","0.71073","MoKα","","0.14","0.0634","","","0.1132","0.1496","","","","","","1.021","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029508","12.815","0.006","14.539","0.007","15.829","0.007","94.155","0.006","111.363","0.005","114.51","0.005","2410.5","1.9","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H11 F3 N5 Ni S4 -","- C21 H11 F3 N5 Ni S4 -","- C84 H44 F12 N20 Ni4 S16 -","4","2","","Chen, Xuan-Rong; Ning, Wei-Hua; Yang, Hao; Liu, Jian-Lan; Xuan, Fang; Ren, Xiao-Ming","Observation of hysteretic magnetic phase transitions coupled with orientation motion of ions and dielectric relaxation in a one-dimensional nickel-bis-dithiolene molecule solid.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6251","6261","10.1039/c3dt53481b","","","0.71073","MoKα","","0.0763","0.0486","","","0.1247","0.1438","","","","","","1.013","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029509","12.8612","0.0007","14.5184","0.0008","15.9549","0.0009","93.617","0.005","111.974","0.005","114.279","0.005","2434","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H11 F3 N5 Ni S4 -","- C21 H11 F2.9997 N5 Ni S4 -","- C84 H44 F11.9988 N20 Ni4 S16 -","4","2","","Chen, Xuan-Rong; Ning, Wei-Hua; Yang, Hao; Liu, Jian-Lan; Xuan, Fang; Ren, Xiao-Ming","Observation of hysteretic magnetic phase transitions coupled with orientation motion of ions and dielectric relaxation in a one-dimensional nickel-bis-dithiolene molecule solid.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6251","6261","10.1039/c3dt53481b","","","0.71073","MoKα","","0.1093","0.0781","","","0.2241","0.2373","","","","","","1.071","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029510","14.5949","0.0004","11.4521","0.0003","22.3086","0.0005","90","","95.835","0.001","90","","3709.39","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H90 I8 Mo6 N8 O21 -","- C32 H72 I8 Mo6 N8 O18 -","- C64 H144 I16 Mo12 N16 O36 -","2","0.5","","Efremova, O. A.; Shestopalov, M. A.; Chirtsova, N. A.; Smolentsev, A. I.; Mironov, Y. V.; Kitamura, N.; Brylev, K. A.; Sutherland, A. J.","A highly emissive inorganic hexamolybdenum cluster complex as a handy precursor for the preparation of new luminescent materials.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6021","6025","10.1039/c3dt53126k","","","0.71073","MoKα","","0.0849","0.0469","","","0.1321","0.1463","","","","","","0.936","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029511","12.9626","0.0004","16.2465","0.0007","18.6106","0.0009","80.411","0.003","89.948","0.003","88.872","0.003","3863.8","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C70.73 H50.94 Cl3.53 Co5 N34 O0.74 S2 -","- C70.731 H50.946 Cl3.526 Co5 N34 O0.742 S2 -","- C141.462 H101.892 Cl7.052 Co10 N68 O1.484 S4 -","2","1","","Wang, Wen-Zhen; Wu, Yang; Ismayilov, Rayyat H.; Kuo, Juao-Hui; Yeh, Chen-Yu; Lee, Hsuan-Wei; Fu, Ming-Dung; Chen, Chun-Hsien; Lee, Gene-Hsiang; Peng, Shie-Ming","A magnetic and conductive study on a stable defective extended cobalt atom chain.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6229","6235","10.1039/c3dt53080a","","","0.71073","MoKα","","0.122","0.066","","","0.1869","0.2218","","","","","","1.041","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029512","12.4832","0.0005","13.6886","0.0005","16.9954","0.0006","69.468","0.001","83.067","0.001","64.684","0.001","2456.99","0.16","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C6 H8 Bi2 Co2 N4 Na4 O107 W20 -","- C6 H8 Bi2 Co2 N4 Na4 O107 W20 -","- C6 H8 Bi2 Co2 N4 Na4 O107 W20 -","1","0.5","","Wang, Lu; Yu, Kai; Zhou, Bai-Bin; Su, Zhan-Hua; Gao, Song; Chu, Li-Li; Liu, Jia-Ren","The inhibitory effects of a new cobalt-based polyoxometalate on the growth of human cancer cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6070","6078","10.1039/c3dt53030b","","","0.71073","MoKα","","0.064","0.0533","","","0.143","0.1512","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029513","20.0876","0.0003","20.0876","0.0003","9.0176","0.0002","90","","90","","120","","3151.21","0.1","173","2","173.15","","","","","","","","","5","P -3","-P 3","147","","","","- C33 H80 La4 N6 O43 -","- C33 H74.01 La4 N6 O43 -","- C66 H148.02 La8 N12 O86 -","2","0.333333","","Chen, Mao-Long; Guo, Yi-Chao; Yang, Fang; Liang, Jin-Xia; Cao, Ze-Xing; Zhou, Zhao-Hui","A lanthanum chelate possessing an open-channel framework with water nanotubes: properties and desalination.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6026","6031","10.1039/c3dt52837e","","","0.71073","MOKα","","0.063","0.0518","","","0.1166","0.1221","","","","","","1.056","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029514","19.9884","0.0007","19.9884","0.0007","8.9836","0.0003","90","","90","","120","","3108.4","0.19","173","2","173.15","","","","","","","","","5","P -3","-P 3","147","","","","- C33 H62 La4 N6 O34 -","- C33 H56.01 La4 N6 O34 -","- C66 H112.02 La8 N12 O68 -","2","0.333333","","Chen, Mao-Long; Guo, Yi-Chao; Yang, Fang; Liang, Jin-Xia; Cao, Ze-Xing; Zhou, Zhao-Hui","A lanthanum chelate possessing an open-channel framework with water nanotubes: properties and desalination.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6026","6031","10.1039/c3dt52837e","","","0.71073","MOKα","","0.0828","0.0541","","","0.1052","0.1177","","","","","","1.024","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029515","19.9229","0.0004","19.9229","0.0004","8.906","0.0002","90","","90","","120","","3061.39","0.11","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C33 H56 La4 N6 O31 -","- C33 H56.01 La4 N6 O31 -","- C66 H112.02 La8 N12 O62 -","2","0.333333","","Chen, Mao-Long; Guo, Yi-Chao; Yang, Fang; Liang, Jin-Xia; Cao, Ze-Xing; Zhou, Zhao-Hui","A lanthanum chelate possessing an open-channel framework with water nanotubes: properties and desalination.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6026","6031","10.1039/c3dt52837e","","","0.71073","MoKα","","0.0572","0.0447","","","0.0806","0.0851","","","","","","1.052","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029516","19.9381","0.0004","19.9381","0.0004","8.9822","0.0003","90","","90","","120","","3092.29","0.14","173","2","173.15","","","","","","","","","5","P -3","-P 3","147","","","","- C39 H80 La4 N6 O37 -","- C33 H56.01 La4 N6 O34 -","- C66 H112.02 La8 N12 O68 -","2","0.333333","","Chen, Mao-Long; Guo, Yi-Chao; Yang, Fang; Liang, Jin-Xia; Cao, Ze-Xing; Zhou, Zhao-Hui","A lanthanum chelate possessing an open-channel framework with water nanotubes: properties and desalination.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6026","6031","10.1039/c3dt52837e","","","0.71073","MOKα","","0.055","0.0417","","","0.0748","0.0794","","","","","","1.113","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029517","7.782","0.003","9.277","0.003","14.065","0.005","90","","100.13","0.02","90","","999.6","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O7 -","- C24 H21 N O7 -","- C48 H42 N2 O14 -","2","1","","Koçer, Sibel; Uruş, Serhan; Cakır, Ahmet; Güllüce, Medine; Dığrak, Metin; Alan, Yusuf; Aslan, Ali; Tümer, Mehmet; Karadayı, Mehmet; Kazaz, Cavit; Dal, Hakan","The synthesis, characterization, antimicrobial and antimutagenic activities of hydroxyphenylimino ligands and their metal complexes of usnic acid isolated from Usnea longissima.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6148","6164","10.1039/c3dt53624f","","","0.71073","MoKα","","0.1685","0.0602","","","0.1223","0.183","","","","","","0.948","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029518","16.322","0.006","10.791","0.004","16.081","0.007","90","","105.44","0.03","90","","2730.1","1.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cl2 Mo2 N4 S8 -","- C17 H18 Cl2 Mo2 N4 S8 -","- C68 H72 Cl8 Mo8 N16 S32 -","4","1","","Dolinar, Brian S.; Berry, John F.","Electronic tuning of Mo2(thioamidate)4 complexes through π-system substituents and cis/trans isomerism.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6165","6176","10.1039/c4dt00297k","","x-ray","0.71073","MoKα","K-L~3~","0.0658","0.048","","","0.109","0.1167","","","","","","1.296","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029519","8.495","0.0002","7.4672","0.0002","15.4637","0.0004","90","","104.634","0.001","90","","949.1","0.04","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Mo2 N2 O4 S4 -","- C14 H18 Mo2 N2 O4 S4 -","- C28 H36 Mo4 N4 O8 S8 -","2","0.5","","Dolinar, Brian S.; Berry, John F.","Electronic tuning of Mo2(thioamidate)4 complexes through π-system substituents and cis/trans isomerism.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6165","6176","10.1039/c4dt00297k","","","0.71073","MoKα","","0.0326","0.0241","","","0.0551","0.0573","","","","","","1.099","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029520","9.101","0.004","20.553","0.01","7.445","0.004","90","","110.31","0.02","90","","1306","1.1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl4 Mo2 N4 O4 S4 -","- C18 H20 Cl4 Mo2 N4 O4 S4 -","- C36 H40 Cl8 Mo4 N8 O8 S8 -","2","0.5","","Dolinar, Brian S.; Berry, John F.","Electronic tuning of Mo2(thioamidate)4 complexes through π-system substituents and cis/trans isomerism.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6165","6176","10.1039/c4dt00297k","","x-ray","0.71073","MoKα","K-L~3~","0.0509","0.0366","","","0.0833","0.0884","","","","","","1.06","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029521","8.99","0.003","14.717","0.007","10.048","0.004","89.646","0.017","112.528","0.013","88.73","0.02","1227.5","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Mo2 N4 O6 S4 -","- C18 H24 Mo2 N4 O6 S4 -","- C36 H48 Mo4 N8 O12 S8 -","2","1","","Dolinar, Brian S.; Berry, John F.","Electronic tuning of Mo2(thioamidate)4 complexes through π-system substituents and cis/trans isomerism.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6165","6176","10.1039/c4dt00297k","","x-ray","0.71073","MoKα","","0.074","0.0516","","","0.1176","0.1269","","","","","","0.978","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029522","9.0133","0.0005","14.7157","0.0012","10.0976","0.0007","90","","111.403","0.004","90","","1246.95","0.15","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Mo2 N4 O6 S4 -","- C18 H24 Mo2 N4 O6 S4 -","- C36 H48 Mo4 N8 O12 S8 -","2","0.5","","Dolinar, Brian S.; Berry, John F.","Electronic tuning of Mo2(thioamidate)4 complexes through π-system substituents and cis/trans isomerism.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6165","6176","10.1039/c4dt00297k","","x-ray","1.54178","CuKα","","0.0196","0.0182","","","0.0448","0.0454","","","","","","1.069","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029523","5.45","0.002","8.227","0.003","18.268","0.008","90","","96.805","0.015","90","","813.3","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Mo2 N2 O6 S2 -","- C12 H14 Mo2 N2 O6 S2 -","- C24 H28 Mo4 N4 O12 S4 -","2","0.5","","Dolinar, Brian S.; Berry, John F.","Electronic tuning of Mo2(thioamidate)4 complexes through π-system substituents and cis/trans isomerism.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6165","6176","10.1039/c4dt00297k","","x-ray","0.71073","MoKα","K-L~3~","0.0606","0.057","","","0.1328","0.1337","","","","","","1.509","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029524","23.5396","0.0004","23.5396","0.0004","9.9876","0.0002","90","","90","","90","","5534.26","0.17","100.4","0.2","100.4","0.2","","","","","","","","4","P 42/n :2","-P 4bc","86","TC1'","","","- C37 H30 N4 O2 -","- C37 H30 N4 O2 -","- C296 H240 N32 O16 -","8","1","","Chatterjee, Tamal; Ghosh, Avijit; Madhu, Sheri; Ravikanth, Mangalampalli","Stable core-modified calixsmaragdyrins: synthesis, structure and specific sensing of the hydrogen sulfate ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6050","6058","10.1039/c3dt53134a","","","0.7107","MoKα","","0.0605","0.0494","","","0.117","0.1233","","","","","","1.062","","","","has coordinates","288643","2024-01-03","14:02:40",""
"7029525","11.3094","0.0004","10.2265","0.0005","16.5844","0.0005","90","","96.293","0.003","90","","1906.52","0.13","175","","175","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Au B F4 N4 -","- C18 H20 Au B F4 N4 -","- C72 H80 Au4 B4 F16 N16 -","4","0.5","","Rodríguez-Castillo, María; Laurencin, Danielle; Tielens, Frederik; van der Lee, Arie; Clément, Sébastien; Guari, Yannick; Richeter, Sébastien","Reactivity of gold nanoparticles towards N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","5978","5982","10.1039/c3dt53579g","","","0.71073","MoKα","","0.0517","0.035","","0.0697","0.0614","0.0697","","","","","","0.9482","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029526","28.8481","0.0005","28.8481","0.0005","14.8117","0.0003","90","","90","","90","","12326.5","0.4","100","","100","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C72 H88 N4 O2 Pt -","- C72 H88 N4 O2 Pt -","- C576 H704 N32 O16 Pt8 -","8","","","Moiseev, A. G.; Margulies, E. A.; Schneider, J. A.; Bélanger-Gariépy, F; Perepichka, D. F.","Protecting the triplet excited state in sterically congested platinum porphyrin.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2676","2683","10.1039/c3dt52926f","","x-ray","1.54178","CuKα","","0.0317","0.0289","","","0.0778","0.0809","","","","","","1.067","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029527","20.279","0.002","18.474","0.002","26.694","0.003","90","","90","","90","","10000.5","1.8","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C40 H80 Cl Ir K N O10 P2 -","- C40 H80 Cl Ir K N O10 P2 -","- C320 H640 Cl8 Ir8 K8 N8 O80 P16 -","8","1","","Kinauer, Markus; Scheibel, Markus G.; Abbenseth, Josh; Heinemann, Frank W.; Stollberg, Peter; Würtele, Christian; Schneider, Sven","[IrCl{N(CHCHPtBu2)2}](-): a versatile source of the Ir(I)(PNP) pincer platform.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4506","4513","10.1039/c3dt53304b","","","0.56086","AgKα","","0.0492","0.0261","","","0.042","0.0483","","","","","","1","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029528","7.901","0.0003","26.861","0.0012","11.814","0.001","90","","106.864","0.005","90","","2399.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 Ir N O P2 -","- C21 H40 Ir N O P2 -","- C84 H160 Ir4 N4 O4 P8 -","4","1","","Kinauer, Markus; Scheibel, Markus G.; Abbenseth, Josh; Heinemann, Frank W.; Stollberg, Peter; Würtele, Christian; Schneider, Sven","[IrCl{N(CHCHPtBu2)2}](-): a versatile source of the Ir(I)(PNP) pincer platform.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4506","4513","10.1039/c3dt53304b","","","0.71073","MoKα","","0.0248","0.0199","","","0.04","0.0413","","","","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029529","8.896","0.002","29.428","0.007","10.601","0.002","90","","100.058","0.005","90","","2732.6","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 Ir N P2 -","- C26 H46 Ir N P2 -","- C104 H184 Ir4 N4 P8 -","4","1","","Kinauer, Markus; Scheibel, Markus G.; Abbenseth, Josh; Heinemann, Frank W.; Stollberg, Peter; Würtele, Christian; Schneider, Sven","[IrCl{N(CHCHPtBu2)2}](-): a versatile source of the Ir(I)(PNP) pincer platform.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4506","4513","10.1039/c3dt53304b","","","0.56086","AgKα","","0.0615","0.0494","","","0.1477","0.1545","","","","","","1.134","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029530","13.917","0.003","7.721","0.0015","11.629","0.002","90","","111.39","0.03","90","","1163.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C20 H40 Ir N O2 P2 -","- C20 H40 Ir N0.5 O2 P2 -","- C40 H80 Ir2 N O4 P4 -","2","0.25","","Kinauer, Markus; Scheibel, Markus G.; Abbenseth, Josh; Heinemann, Frank W.; Stollberg, Peter; Würtele, Christian; Schneider, Sven","[IrCl{N(CHCHPtBu2)2}](-): a versatile source of the Ir(I)(PNP) pincer platform.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4506","4513","10.1039/c3dt53304b","","","0.56086","AgKα","","0.0168","0.0168","","","0.037","0.037","","","","","","1.064","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029531","21.991","0.002","21.991","0.002","31.8","0.003","90","","90","","90","","15379","2","100","2","100","2","","","","","","","","9","P 4/n n c","-P 4a 2bc","126","","","","- C64 H54 B1.75 Cl0.25 F7 N6 O4 Pd S2 -","- C64 H54 B1.75 Cl0.25 F7 N6 O4 Pd S2 -","- C512 H432 B14 Cl2 F56 N48 O32 Pd8 S16 -","8","","","Frank, Marina; Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar; Clever, Guido H.","Narcissistic self-sorting vs. statistic ligand shuffling within a series of phenothiazine-based coordination cages.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4587","4592","10.1039/c3dt53243g","","","0.71073","MoKα","","0.1051","0.0798","","","0.258","0.3031","","","","","","1.06","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029532","49.3884","0.0012","14.0771","0.0004","26.1812","0.0007","90","","114.793","0.003","90","","16524.6","0.9","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","SVMo final","","","- C96 H216 Mo22 N6 O81.5 S2 V2 -","- C96 H216 Mo22 N6 O81.5 S2 V2 -","- C384 H864 Mo88 N24 O326 S8 V8 -","4","0.5","","Ueda, Tadaharu; Nambu, Jun-Ichi; Lu, Jinzhen; Guo, Si-Xuan; Li, Qi; Boas, John F.; Martin, Lisandra L.; Bond, Alan M.","Structurally characterised vanadium(v)-substituted Keggin-type heteropolysulfates [SVM11O40](3-) (M = Mo, W): voltammetric and spectroscopic studies related to the V(v)/V(iv) redox couple.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5462","5473","10.1039/c3dt53161a","","","0.71073","MoKα","","0.0779","0.0664","","","0.1769","0.1861","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029533","13.6813","0.0006","15.4018","0.0007","19.2335","0.0009","95.283","0.003","92.99","0.002","90.924","0.003","4029.2","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","SVW11final","","","- C48 H108 N3 O41 S V W11 -","- C48 H108 N3 O41 S V W11 -","- C96 H216 N6 O82 S2 V2 W22 -","2","1","","Ueda, Tadaharu; Nambu, Jun-Ichi; Lu, Jinzhen; Guo, Si-Xuan; Li, Qi; Boas, John F.; Martin, Lisandra L.; Bond, Alan M.","Structurally characterised vanadium(v)-substituted Keggin-type heteropolysulfates [SVM11O40](3-) (M = Mo, W): voltammetric and spectroscopic studies related to the V(v)/V(iv) redox couple.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5462","5473","10.1039/c3dt53161a","","","0.71073","MoKα","","0.1015","0.0642","","","0.1657","0.2058","","","","","","1.037","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029534","9.7744","0.0013","11.3517","0.0015","12.678","0.0016","72.898","0.003","67.96","0.003","82.749","0.003","1246","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N P Pt -","- C30 H30 N P Pt -","- C60 H60 N2 P2 Pt2 -","2","1","","Mahamo, Tebello; Moss, John R.; Mapolie, Selwyn F.; Smith, Gregory S.; Slootweg, J. Chris; Lammertsma, Koop","Platinacycloalkane complexes containing [P,N] bidentate ligands: synthesis and decomposition studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5546","5557","10.1039/c3dt52798k","","","0.71073","MoKα","","0.0448","0.035","","","0.0746","0.0786","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029535","9.7605","0.0002","17.0778","0.0003","12.4657","0.0003","90","","94.379","0.002","90","","2071.82","0.08","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H21 Cl Cu N2 Na O9.5 -","- C19 H21 Cl Cu N2 Na O9.5 -","- C76 H84 Cl4 Cu4 N8 Na4 O38 -","4","2","","Datta, Amitabha; Das, Kuheli; Massera, Chiara; Clegg, Jack K.; Sinha, Chittaranjan; Huang, Jui-Hsien; Garribba, Eugenio","A mixed valent heterometallic Cu(II)/Na(I) coordination polymer with sodium-phenyl bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5558","5563","10.1039/c4dt00189c","","","0.71073","MoKα","","0.0464","0.0373","","","0.083","0.088","","","","","","1.024","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7029536","23.4437","0.0015","7.1763","0.0005","16.5008","0.0011","90","","129.026","0.003","90","","2156.6","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C96 H88 N8 O16 S8 -","8","1","","Constable, Edwin C.; Ertl, Cathrin D.; Housecroft, Catherine E.; Zampese, Jennifer A.","Green-emitting iridium(iii) complexes containing sulfanyl- or sulfone-functionalized cyclometallating 2-phenylpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5343","5356","10.1039/c3dt53626b","","","0.71073","MoKα","","0.0376","0.0323","","","0.0913","0.0962","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029537","22.0732","0.0012","21.3598","0.0011","23.0604","0.0012","90","","90","","90","","10872.5","1","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C50 H44 Cl6 Ir2 N4 O8 S4 -","- C50 H44 Cl6 Ir2 N4 O8 S4 -","- C400 H352 Cl48 Ir16 N32 O64 S32 -","8","1","","Constable, Edwin C.; Ertl, Cathrin D.; Housecroft, Catherine E.; Zampese, Jennifer A.","Green-emitting iridium(iii) complexes containing sulfanyl- or sulfone-functionalized cyclometallating 2-phenylpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5343","5356","10.1039/c3dt53626b","","","1.54178","CuKα","","0.082","0.047","","","0.1111","0.1295","","","","","","1.008","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029538","22.2664","0.0012","6.1121","0.0004","22.0876","0.0011","90","","110.398","0.002","90","","2817.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C120 H136 N8 O16 S8 -","8","1","","Constable, Edwin C.; Ertl, Cathrin D.; Housecroft, Catherine E.; Zampese, Jennifer A.","Green-emitting iridium(iii) complexes containing sulfanyl- or sulfone-functionalized cyclometallating 2-phenylpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5343","5356","10.1039/c3dt53626b","","","1.54178","CuKα","","0.042","0.0378","","","0.1024","0.1068","","","","","","1.08","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029539","13.9523","0.0009","13.9523","0.0009","26.0654","0.0017","90","","90","","120","","4394.3","0.5","123","2","123","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C32 H22 F8 Ir N4 P -","- C32 H22 F8 Ir N4 P -","- C192 H132 F48 Ir6 N24 P6 -","6","1","","Constable, Edwin C.; Ertl, Cathrin D.; Housecroft, Catherine E.; Zampese, Jennifer A.","Green-emitting iridium(iii) complexes containing sulfanyl- or sulfone-functionalized cyclometallating 2-phenylpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5343","5356","10.1039/c3dt53626b","","","1.54178","CuKα","","0.0172","0.017","","","0.0436","0.0437","","","","","","1.098","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029540","14.2353","0.0006","16.289","0.0007","17.6451","0.0007","66.165","0.001","81.642","0.002","67.39","0.001","3454.7","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C134 H102 Cl4 F32 Ir4 N16 O P4 -","- C134 H102 Cl4 F32 Ir4 N16 O P4 -","- C134 H102 Cl4 F32 Ir4 N16 O P4 -","1","0.5","","Constable, Edwin C.; Ertl, Cathrin D.; Housecroft, Catherine E.; Zampese, Jennifer A.","Green-emitting iridium(iii) complexes containing sulfanyl- or sulfone-functionalized cyclometallating 2-phenylpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5343","5356","10.1039/c3dt53626b","","","1.54178","CuKα","","0.0399","0.0368","","","0.112","0.1168","","","","","","1.036","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029541","21.6392","0.0005","21.6392","0.0005","11.4683","0.0004","90","","90","","120","","4650.6","0.2","120","","120","","","","","","","","","7","R 3","R 3","146","","","","- C54 H57 Eu F9 N9 O12 S3 -","- C54 H57 Eu F9 N9 O12 S3 -","- C162 H171 Eu3 F27 N27 O36 S9 -","3","","","Neil, Emily R.; Funk, Alexander M.; Yufit, Dmitry S.; Parker, David","Synthesis, stereocontrol and structural studies of highly luminescent chiral tris-amidepyridyl-triazacyclononane lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5490","5504","10.1039/c3dt53000k","","x-ray","0.71073","MoKα","K-L~3~","0.0417","0.0412","","","0.1043","0.1049","","","","","","1.026","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029542","21.6423","0.0008","21.6423","0.0008","11.5027","0.0007","90","","90","","120","","4665.9","0.4","120","","120","","","","","","","","","7","R 3","R 3","146","","","","- C54 H57 Eu F9 N9 O12 S3 -","- C54 H57 Eu F9 N9 O12 S3 -","- C162 H171 Eu3 F27 N27 O36 S9 -","3","","","Neil, Emily R.; Funk, Alexander M.; Yufit, Dmitry S.; Parker, David","Synthesis, stereocontrol and structural studies of highly luminescent chiral tris-amidepyridyl-triazacyclononane lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5490","5504","10.1039/c3dt53000k","","x-ray","0.71073","MoKα","K-L~3~","0.0282","0.0281","","","0.074","0.0742","","","","","","1.029","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029543","21.836","0.002","21.836","0.002","11.1868","0.0017","90","","90","","120","","4619.4","0.9","120","","120","","","","","","","","","7","R 3","R 3","146","","","","- C54 H57 F9 N9 O12 S3 Yb -","- C54 H57 F9 N9 O12 S3 Yb -","- C162 H171 F27 N27 O36 S9 Yb3 -","3","","","Neil, Emily R.; Funk, Alexander M.; Yufit, Dmitry S.; Parker, David","Synthesis, stereocontrol and structural studies of highly luminescent chiral tris-amidepyridyl-triazacyclononane lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5490","5504","10.1039/c3dt53000k","","x-ray","0.71073","MoKα","K-L~3~","0.0442","0.0437","","","0.1116","0.1123","","","","","","1.053","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029544","6.053","0.002","8.56","0.004","14.963","0.006","90","","90","","90","","775.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cu2 H O5 V -","- Cu2 H O5 V -","- Cu16 H8 O40 V8 -","8","2","","Zhang, Su-Yun; He, Zhang-Zhen; Yang, Ming; Guo, Wen-Bin; Tang, Ying-Ying","Synthesis and magnetic properties of a new polymorph of Cu2(VO4)(OH) with a quasi-2D layer structure.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3521","3527","10.1039/c3dt53009d","","","0.71073","MoKα","","0.0234","0.0216","","","0.0426","0.0433","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029545","13.7398","0.0003","19.9665","0.0005","20.5612","0.0004","90.307","0.0017","94.8743","0.0016","91.9708","0.0019","5616.8","0.2","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H60 Ag O4 P3 -","- C68 H60 Ag O4 P3 -","- C272 H240 Ag4 O16 P12 -","4","2","","Banti, C. N.; Giannoulis, A. D.; Kourkoumelis, N.; Owczarzak, A. M.; Kubicki, M.; Hadjikakou, S. K.","Novel metallo-therapeutics of the NSAID naproxen. Interaction with intracellular components that leads the cells to apoptosis.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6848","6863","10.1039/c3dt53175a","","","1.54178","CuKα","","0.0583","0.0543","","","0.1263","0.1291","","","","","","1.106","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029546","12.499","0.0004","13.4702","0.0005","16.7664","0.0006","82.645","0.003","70.135","0.003","65.852","0.003","2422.36","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H55 Ag O3 P2 -","- C56 H55 Ag O3 P2 -","- C112 H110 Ag2 O6 P4 -","2","1","","Banti, C. N.; Giannoulis, A. D.; Kourkoumelis, N.; Owczarzak, A. M.; Kubicki, M.; Hadjikakou, S. K.","Novel metallo-therapeutics of the NSAID naproxen. Interaction with intracellular components that leads the cells to apoptosis.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6848","6863","10.1039/c3dt53175a","","","0.7107","MoKα","","0.0557","0.0425","","","0.1024","0.1073","","","","","","1.069","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029547","17.073","0.011","15.507","0.011","18.11","0.012","90","","98.765","0.013","90","","4739","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 N4 Ni O5 -","- C25 H21 N4 Ni O5 -","- C200 H168 N32 Ni8 O40 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Pang, Yue; Zhao, Xian","Syntheses, crystal structures and UV-visible absorption properties of five metal-organic frameworks constructed from terphenyl-2,5,2',5'-tetracarboxylic acid and bis(imidazole) bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6701","6710","10.1039/c3dt53379d","","","0.71073","MoKα","","0.1002","0.0623","","","0.1509","0.174","","","","","","1.001","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029548","16.3353","0.0012","16.0464","0.0012","18.4433","0.0015","90","","101.679","0.001","90","","4734.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Mn N4 O5 -","- C25 H21 Mn N4 O5 -","- C200 H168 Mn8 N32 O40 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Pang, Yue; Zhao, Xian","Syntheses, crystal structures and UV-visible absorption properties of five metal-organic frameworks constructed from terphenyl-2,5,2',5'-tetracarboxylic acid and bis(imidazole) bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6701","6710","10.1039/c3dt53379d","","","0.71073","MoKα","","0.0427","0.0328","","","0.0857","0.0928","","","","","","0.999","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029549","16.388","0.007","16.225","0.007","19.438","0.008","90","","95.373","0.007","90","","5146","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H23.5 N4 Ni O4.25 -","- C27 H23.5 N4 Ni O4.25 -","- C216 H188 N32 Ni8 O34 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Pang, Yue; Zhao, Xian","Syntheses, crystal structures and UV-visible absorption properties of five metal-organic frameworks constructed from terphenyl-2,5,2',5'-tetracarboxylic acid and bis(imidazole) bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6701","6710","10.1039/c3dt53379d","","","0.71073","MoKα","","0.0483","0.0385","","","0.1164","0.1248","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029550","11.9535","0.0005","12.9115","0.0006","13.8933","0.0006","83.927","0.001","80.978","0.001","86.003","0.001","2102.76","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H37 N8 Ni O6 -","- C47 H37 N8 Ni O6 -","- C94 H74 N16 Ni2 O12 -","2","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Pang, Yue; Zhao, Xian","Syntheses, crystal structures and UV-visible absorption properties of five metal-organic frameworks constructed from terphenyl-2,5,2',5'-tetracarboxylic acid and bis(imidazole) bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6701","6710","10.1039/c3dt53379d","","","0.71073","MoKα","","0.0775","0.0639","","","0.1673","0.1801","","","","","","1.002","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029551","12.785","0.003","13.443","0.004","14.029","0.004","96.636","0.004","114.001","0.004","115.893","0.004","1851.2","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 N6 Ni O6 -","- C41 H36 N6 Ni O6 -","- C82 H72 N12 Ni2 O12 -","2","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Pang, Yue; Zhao, Xian","Syntheses, crystal structures and UV-visible absorption properties of five metal-organic frameworks constructed from terphenyl-2,5,2',5'-tetracarboxylic acid and bis(imidazole) bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6701","6710","10.1039/c3dt53379d","","","0.71073","MoKα","","0.0793","0.0529","","","0.1317","0.149","","","","","","1.001","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029552","11.983","0.004","12.232","0.004","17.139","0.005","97.761","0.004","91.453","0.004","114.96","0.004","2247.2","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H57 N4 O Si Y -","- C42 H57 N4 O Si Y -","- C84 H114 N8 O2 Si2 Y2 -","2","1","","Guo, Liping; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong; Wei, Yun; Wang, Shaowu; Feng, Zhijun; Zhang, Guangchao; Deng, Baojia","Rare-earth alkyl complexes supported by formamidinate ligands: synthesis, structure, and catalytic activity for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6842","6847","10.1039/c4dt00242c","","","0.71073","MoKα","","0.0889","0.0546","","","0.1076","0.1152","","","","","","1.082","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029553","13.795","0.002","16.625","0.003","28.098","0.005","90","","92.476","0.003","90","","6438","1.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H89 N4 O Si Y -","- C58 H89 N4 O Si Y -","- C232 H356 N16 O4 Si4 Y4 -","4","1","","Guo, Liping; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong; Wei, Yun; Wang, Shaowu; Feng, Zhijun; Zhang, Guangchao; Deng, Baojia","Rare-earth alkyl complexes supported by formamidinate ligands: synthesis, structure, and catalytic activity for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6842","6847","10.1039/c4dt00242c","","","0.71073","MoKα","","0.1146","0.058","","","0.1189","0.1318","","","","","","1.069","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029554","13.826","0.002","21.926","0.003","23.051","0.003","100.028","0.002","100.543","0.002","106.367","0.002","6400.1","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H89 Er N4 O Si -","- C58 H89 Er N4 O Si -","- C232 H356 Er4 N16 O4 Si4 -","4","2","","Guo, Liping; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong; Wei, Yun; Wang, Shaowu; Feng, Zhijun; Zhang, Guangchao; Deng, Baojia","Rare-earth alkyl complexes supported by formamidinate ligands: synthesis, structure, and catalytic activity for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6842","6847","10.1039/c4dt00242c","","","0.71073","MoKα","","0.1101","0.077","","","0.2197","0.2394","","","","","","0.983","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029555","13.7985","0.0013","16.6154","0.0016","28.071","0.003","90","","92.597","0.001","90","","6429.2","1.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H89 Dy N4 O Si -","- C58 H89 Dy N4 O Si -","- C232 H356 Dy4 N16 O4 Si4 -","4","1","","Guo, Liping; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong; Wei, Yun; Wang, Shaowu; Feng, Zhijun; Zhang, Guangchao; Deng, Baojia","Rare-earth alkyl complexes supported by formamidinate ligands: synthesis, structure, and catalytic activity for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6842","6847","10.1039/c4dt00242c","","","0.71073","MoKα","","0.0457","0.0365","","","0.0982","0.1028","","","","","","1.04","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029556","13.841","0.003","16.677","0.003","28.081","0.006","90","","92.483","0.003","90","","6476","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H89 N4 O Si Sm -","- C58 H89 N4 O Si Sm -","- C232 H356 N16 O4 Si4 Sm4 -","4","1","","Guo, Liping; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong; Wei, Yun; Wang, Shaowu; Feng, Zhijun; Zhang, Guangchao; Deng, Baojia","Rare-earth alkyl complexes supported by formamidinate ligands: synthesis, structure, and catalytic activity for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6842","6847","10.1039/c4dt00242c","","","0.71073","MoKα","","0.0682","0.0464","","","0.1168","0.1246","","","","","","1.044","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029557","13.9414","0.0009","16.8128","0.0012","28.3865","0.0019","90","","92.174","0.001","90","","6648.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H89 N4 Nd O Si -","- C58 H89 N4 Nd O Si -","- C232 H356 N16 Nd4 O4 Si4 -","4","1","","Guo, Liping; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong; Wei, Yun; Wang, Shaowu; Feng, Zhijun; Zhang, Guangchao; Deng, Baojia","Rare-earth alkyl complexes supported by formamidinate ligands: synthesis, structure, and catalytic activity for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6842","6847","10.1039/c4dt00242c","","","0.71073","MoKα","","0.1143","0.0578","","","0.1352","0.1505","","","","","","0.944","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029558","15.3126","0.0018","9.0515","0.0011","18.877","0.002","90","","106.357","0.005","90","","2510.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Br2 N2 Ni -","- C25 H31 Br2 N2 Ni -","- C100 H124 Br8 N8 Ni4 -","4","1","","Beattie, J. W.; White, D. S.; Bheemaraju, A.; Martin, P. D.; Groysman, S.","Recyclable chemosensor for oxalate based on bimetallic complexes of a dinucleating bis(iminopyridine) ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7979","7986","10.1039/c4dt00577e","","","0.71073","MoKα","","0.0576","0.0404","","","0.0996","0.1077","","","","","","1.093","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029559","9.1051","0.0005","9.2898","0.0005","18.9737","0.001","98.136","0.003","99.496","0.003","103.44","0.003","1512.24","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H35 Br2 Cu N5 -","- C29 H34.9 Br2 Cu N4 -","- C58 H69.8 Br4 Cu2 N8 -","2","1","","Beattie, J. W.; White, D. S.; Bheemaraju, A.; Martin, P. D.; Groysman, S.","Recyclable chemosensor for oxalate based on bimetallic complexes of a dinucleating bis(iminopyridine) ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7979","7986","10.1039/c4dt00577e","","","0.71073","MoKα","","0.0615","0.0483","","","0.109","0.114","","","","","","1.371","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029560","11.7116","0.0015","15.739","0.002","17.852","0.002","112.722","0.006","93.496","0.006","95.234","0.006","3006","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H68 Br2 N7 Ni2 O5 -","- C60 H75 Br2 N6 Ni2 O5 -","- C120 H150 Br4 N12 Ni4 O10 -","2","1","","Beattie, J. W.; White, D. S.; Bheemaraju, A.; Martin, P. D.; Groysman, S.","Recyclable chemosensor for oxalate based on bimetallic complexes of a dinucleating bis(iminopyridine) ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7979","7986","10.1039/c4dt00577e","","","0.71073","MoKα","","0.0711","0.048","","","0.1267","0.1418","","","","","","1.061","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029561","12.8703","0.0006","17.2304","0.0008","25.5224","0.0012","108.311","0.002","102.265","0.002","91.872","0.002","5220.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H67 Br2 Cu2 N4 O4.5 -","- C54 H67 Br2 Cu2 N4 O4.5 -","- C216 H268 Br8 Cu8 N16 O18 -","4","2","","Beattie, J. W.; White, D. S.; Bheemaraju, A.; Martin, P. D.; Groysman, S.","Recyclable chemosensor for oxalate based on bimetallic complexes of a dinucleating bis(iminopyridine) ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7979","7986","10.1039/c4dt00577e","","","0.71073","MoKα","","0.0528","0.0329","","","0.0663","0.0712","","","","","","1.051","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7029562","8.8371","0.0005","10.2867","0.0005","23.5169","0.0012","97.73","0.003","93.58","0.003","110.826","0.002","1965.88","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H57 Br3 Ca N2 Ni O3 -","- C37 H57 Br3 Ca0.5 N2 Ni O3 -","- C74 H114 Br6 Ca N4 Ni2 O6 -","2","1","","Beattie, J. W.; White, D. S.; Bheemaraju, A.; Martin, P. D.; Groysman, S.","Recyclable chemosensor for oxalate based on bimetallic complexes of a dinucleating bis(iminopyridine) ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7979","7986","10.1039/c4dt00577e","","","0.71073","MoKα","","0.0775","0.0494","","","0.1105","0.1221","","","","","","1.017","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029563","11.3567","0.0016","27.748","0.004","16.127","0.002","90","","102.683","0.002","90","","4958","1.2","130","2","130","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H39 Ge2 N O3 Si3 -","- C15 H39.5 Ge2 N O3 Si3 -","- C120 H316 Ge16 N8 O24 Si24 -","8","2","","Zaitsev, Kirill V.; Churakov, Andrei V.; Poleshchuk, Oleg Kh; Oprunenko, Yuri F.; Zaitseva, Galina S.; Karlov, Sergey S.","New oligogermane with a five coordinate germanium atom: the preparation of 1-germylgermatrane.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6605","6609","10.1039/c3dt53523a","","","0.71073","MoKα","","0.1066","0.0592","","","0.1248","0.1391","","","","","","1.055","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029564","20.229","0.0008","6.567","0.0002","28.8757","0.0012","90","","90.271","0.003","90","","3835.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 O2 S2 Sn -","- C40 H52 O2 S2 Sn -","- C160 H208 O8 S8 Sn4 -","4","0.5","","Shpakovsky, D. B.; Banti, C. N.; Mukhatova, E. M.; Gracheva, Yu A.; Osipova, V. P.; Berberova, N. T.; Albov, D. V.; Antonenko, T. A.; Aslanov, L. A.; Milaeva, E. R.; Hadjikakou, S. K.","Synthesis, antiradical activity and in vitro cytotoxicity of novel organotin complexes based on 2,6-di-tert-butyl-4-mercaptophenol.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6880","6890","10.1039/c3dt53469c","","","0.71073","MoKα","","0.1258","0.0345","","","0.0746","0.1148","","","","","","0.613","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029565","9.1556","0.0002","11.4783","0.0003","30.9541","0.001","90","","90","","90","","3252.99","0.15","293","2","293","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","","","- C30 H48 O2 S2 Sn -","- C30 H48 O2 S2 Sn -","- C120 H192 O8 S8 Sn4 -","4","1","","Shpakovsky, D. B.; Banti, C. N.; Mukhatova, E. M.; Gracheva, Yu A.; Osipova, V. P.; Berberova, N. T.; Albov, D. V.; Antonenko, T. A.; Aslanov, L. A.; Milaeva, E. R.; Hadjikakou, S. K.","Synthesis, antiradical activity and in vitro cytotoxicity of novel organotin complexes based on 2,6-di-tert-butyl-4-mercaptophenol.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6880","6890","10.1039/c3dt53469c","","","0.71073","MoKα","","0.0812","0.0342","","","0.0682","0.083","","","","","","0.556","","","","has coordinates","192773","2020-10-21","18:00:00",""
"7029566","15.5175","0.0019","19.188","0.003","20.05","0.003","90","","90","","90","","5969.9","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H36 O S Sn -","- C32 H36 O S Sn -","- C256 H288 O8 S8 Sn8 -","8","1","","Shpakovsky, D. B.; Banti, C. N.; Mukhatova, E. M.; Gracheva, Yu A.; Osipova, V. P.; Berberova, N. T.; Albov, D. V.; Antonenko, T. A.; Aslanov, L. A.; Milaeva, E. R.; Hadjikakou, S. K.","Synthesis, antiradical activity and in vitro cytotoxicity of novel organotin complexes based on 2,6-di-tert-butyl-4-mercaptophenol.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6880","6890","10.1039/c3dt53469c","","","0.71073","MoKα","","0.1935","0.044","","","0.1022","0.1444","","","","","","0.772","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029567","10.7347","0.0002","10.5189","0.0002","50.3571","0.0008","90","","95.463","0.002","90","","5660.36","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H84 O4 S2 Sn -","- C56 H84 O4 S2 Sn -","- C224 H336 O16 S8 Sn4 -","4","1","","Shpakovsky, D. B.; Banti, C. N.; Mukhatova, E. M.; Gracheva, Yu A.; Osipova, V. P.; Berberova, N. T.; Albov, D. V.; Antonenko, T. A.; Aslanov, L. A.; Milaeva, E. R.; Hadjikakou, S. K.","Synthesis, antiradical activity and in vitro cytotoxicity of novel organotin complexes based on 2,6-di-tert-butyl-4-mercaptophenol.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6880","6890","10.1039/c3dt53469c","","","1.5418","CuKα","","0.0758","0.0568","","","0.1366","0.148","","","","","","0.937","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029568","14.5138","0.0007","23.2609","0.0011","12.8419","0.0006","90","","90","","90","","4335.5","0.4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis[2,6-bis(5-aminopyrazol-3-yl)pyridine]iron(II) diperchlorate bis(diethyl ether) nitromethane solvate","","- C31 H45 Cl2 Fe N15 O12 -","- C31 H45 Cl2 Fe N15 O12 -","- C124 H180 Cl8 Fe4 N60 O48 -","4","0.5","","Roberts, Thomas D.; Little, Marc A.; Kershaw Cook, Laurence J.; Halcrow, Malcolm A.","Iron(ii) complexes of 2,6-di(1H-pyrazol-3-yl)-pyridine derivatives with hydrogen bonding and sterically bulky substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7577","7588","10.1039/c4dt00355a","","","0.71073","MoKα","","0.0498","0.0335","","","0.0826","0.0918","","","","","","1.03","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029569","12.889","0.0004","13.3521","0.0004","19.1548","0.0006","104.759","0.002","100.581","0.002","108.536","0.002","2893.71","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Bis-[2,6-bis{5-tertbutylcarboxamido-1H-pyrazol-3-yl}pyridine]iron(II) di-tetrafluoroborate tris-acetonitrile solvate","","- C48 H63 B2 F8 Fe N17 O4 -","- C48 H63 B2 F8 Fe N17 O4 -","- C96 H126 B4 F16 Fe2 N34 O8 -","2","1","","Roberts, Thomas D.; Little, Marc A.; Kershaw Cook, Laurence J.; Halcrow, Malcolm A.","Iron(ii) complexes of 2,6-di(1H-pyrazol-3-yl)-pyridine derivatives with hydrogen bonding and sterically bulky substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7577","7588","10.1039/c4dt00355a","","","0.71073","MoKα","","0.0697","0.0477","","","0.117","0.129","","","","","","1.017","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029570","12.995","0.002","13.3971","0.0019","19.304","0.003","104.696","0.007","100.401","0.009","108.32","0.008","2959.5","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis-[2,6-bis{5-tertbutylcarboxamido-1H-pyrazol-3-yl}pyridine]iron(II) diperchlorate tris-acetonitrile solvate","","- C48 H63 Cl2 Fe N17 O12 -","- C48 H63 Cl2 Fe N17 O12 -","- C96 H126 Cl4 Fe2 N34 O24 -","2","1","","Roberts, Thomas D.; Little, Marc A.; Kershaw Cook, Laurence J.; Halcrow, Malcolm A.","Iron(ii) complexes of 2,6-di(1H-pyrazol-3-yl)-pyridine derivatives with hydrogen bonding and sterically bulky substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7577","7588","10.1039/c4dt00355a","","","0.71073","MoKα","","0.2463","0.0639","","","0.1371","0.1771","","","","","","1.025","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029571","17.588","0.002","19.509","0.002","32.399","0.005","90","","90","","90","","11117","2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-bis(5-tertbutyl-1H-pyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate 2,2,2-trifluoroethanol di-isopropyl ether solvate","","- C41.55 H57.08 B2 F10.18 Fe N10 O1.08 -","- C41.55 H57.075 B2 F10.175 Fe N10 O1.075 -","- C332.4 H456.6 B16 F81.4 Fe8 N80 O8.6 -","8","2","","Roberts, Thomas D.; Little, Marc A.; Kershaw Cook, Laurence J.; Halcrow, Malcolm A.","Iron(ii) complexes of 2,6-di(1H-pyrazol-3-yl)-pyridine derivatives with hydrogen bonding and sterically bulky substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7577","7588","10.1039/c4dt00355a","","","0.71073","MoKα","","0.0871","0.0645","","","0.1768","0.1932","","","","","","1.037","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029572","15.1739","0.0005","17.9832","0.0006","19.9978","0.0007","90","","95.117","0.001","90","","5435.2","0.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis-[2-{5-methyl-1H-pyrazol-3-yl}-6-2-{5-tertbutyl-1H-pyrazol-3-yl}pyridine]- iron(II) ditetrafluoroborate diethyl ether/2,2,2-trifluoroethanol solvate","","- C42.9 H64.75 B2 F8.75 Fe N10 O2.85 -","- C42.9 H64.75 B2 F8.75 Fe N10 O2.85 -","- C171.6 H259 B8 F35 Fe4 N40 O11.4 -","4","1","","Roberts, Thomas D.; Little, Marc A.; Kershaw Cook, Laurence J.; Halcrow, Malcolm A.","Iron(ii) complexes of 2,6-di(1H-pyrazol-3-yl)-pyridine derivatives with hydrogen bonding and sterically bulky substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7577","7588","10.1039/c4dt00355a","","","0.71073","MoKα","","0.1101","0.0783","","","0.2349","0.2626","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029573","28.504","0.006","10.357","0.002","12.46","0.003","90","","90.05","0.03","90","","3678.4","1.4","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C48 H46 N4 -","- C48 H46 N4 -","- C192 H184 N16 -","4","1","","Xing, Qifeng; Song, Kuifeng; Liang, Tongling; Liu, Qingbin; Sun, Wen-Hua; Redshaw, Carl","Synthesis, characterization and ethylene polymerization behaviour of binuclear nickel halides bearing 4,5,9,10-tetra(arylimino)pyrenylidenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7830","7837","10.1039/c4dt00503a","","","0.71073","MoKα","","","0.066","","","0.1802","0.1855","","","","","","1.071","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029574","13.286","0.003","14.439","0.003","29.687","0.006","90","","90","","90","","5695","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H52 Br4 Cl2 N4 Ni2 -","- C53 H52 Br4 Cl2 N4 Ni2 -","- C212 H208 Br16 Cl8 N16 Ni8 -","4","1","","Xing, Qifeng; Song, Kuifeng; Liang, Tongling; Liu, Qingbin; Sun, Wen-Hua; Redshaw, Carl","Synthesis, characterization and ethylene polymerization behaviour of binuclear nickel halides bearing 4,5,9,10-tetra(arylimino)pyrenylidenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7830","7837","10.1039/c4dt00503a","","","0.71073","MoKα","","","0.1172","","","0.3006","0.323","","","","","","1.157","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029575","20.274","0.008","10.916","0.004","9.67","0.004","90","","90","","90","","2140.1","1.5","113","","113","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- C30 H14 N2 -","- C30 H14 N2 -","- C120 H56 N8 -","4","","","Suzaki, Yuji; Saito, Takashi; Ide, Tomohito; Osakada, Kohtaro","A rhomboid-shaped organic host molecule with small binding space. Unsymmetrical and symmetrical inclusion of halonium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6643","6649","10.1039/c3dt53629g","","","0.7107","MoKα","","","0.0479","","","","0.1395","","","","","","0.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029576","7.259","0.003","24.773","0.008","11.352","0.004","90","","90","","90","","2041.4","1.3","113","","113","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H7 N -","- C15 H7 N -","- C120 H56 N8 -","8","1","","Suzaki, Yuji; Saito, Takashi; Ide, Tomohito; Osakada, Kohtaro","A rhomboid-shaped organic host molecule with small binding space. Unsymmetrical and symmetrical inclusion of halonium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6643","6649","10.1039/c3dt53629g","","","0.7107","MoKα","","","0.0447","","","","0.1165","","","","","","1.279","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029577","7.376","0.003","9.605","0.005","10.808","0.005","73.922","0.007","89.198","0.006","78.763","0.006","721","0.6","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H14 F6 N2 O4 Pd -","- C34 H14 F6 N2 O4 Pd -","- C34 H14 F6 N2 O4 Pd -","1","0.5","","Suzaki, Yuji; Saito, Takashi; Ide, Tomohito; Osakada, Kohtaro","A rhomboid-shaped organic host molecule with small binding space. Unsymmetrical and symmetrical inclusion of halonium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6643","6649","10.1039/c3dt53629g","","","0.71073","MoKα","","0.0408","0.0378","","","0.1039","0.1065","","","","","","0.869","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029578","10.119","0.0002","10.7148","0.0006","16.4367","0.0009","90","","90","","90","","1782.12","0.14","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H31 K O -","- C17 H31 K O -","- C68 H124 K4 O4 -","4","1","","Reiners, Matthias; Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Pentadienyl chemistry of the heavy alkaline-earth metals revisited.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6614","6617","10.1039/c4dt00545g","","","1.54184","CuKα","","0.0572","0.0498","","","0.1245","0.1304","","","","","","1.015","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029579","9.9014","0.0002","21.7075","0.0004","14.4003","0.0003","90","","105.501","0.002","90","","2982.54","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 Ca O -","- C30 H54 Ca O -","- C120 H216 Ca4 O4 -","4","1","","Reiners, Matthias; Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Pentadienyl chemistry of the heavy alkaline-earth metals revisited.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6614","6617","10.1039/c4dt00545g","","","1.54184","CuKα","","0.0306","0.0296","","","0.0785","0.0794","","","","","","1.05","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7029580","9.7948","0.0005","14.1834","0.0005","23.3962","0.001","88.549","0.003","79.821","0.002","71.131","0.002","3025.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H54 O Sr -","- C30 H54 O Sr -","- C120 H216 O4 Sr4 -","4","2","","Reiners, Matthias; Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Pentadienyl chemistry of the heavy alkaline-earth metals revisited.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6614","6617","10.1039/c4dt00545g","","","0.71073","MoKα","","0.1022","0.0544","","","0.0724","0.0825","","","","","","1.037","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029581","9.5411","0.0003","12.0829","0.0003","15.6171","0.0005","96.32","0.002","97.53","0.003","98.661","0.003","1748.98","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H62 Ba O2 -","- C34 H62 Ba O2 -","- C68 H124 Ba2 O4 -","2","1","","Reiners, Matthias; Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Pentadienyl chemistry of the heavy alkaline-earth metals revisited.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6614","6617","10.1039/c4dt00545g","","","0.71073","MoKα","","0.0262","0.0222","","","0.0493","0.0514","","","","","","1.053","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029582","10.14","0.002","41.977","0.008","4.497","0.0009","90","","90","","90","","1914.1","0.6","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H20 N10 -","- C20 H20 N10 -","- C80 H80 N40 -","4","0.5","","Vuong, Khuong Q.; Wong, Chin M.; Bhadbhade, Mohan; Messerle, Barbara A.","Bi- and tri-metallic Rh and Ir complexes containing click derived bis- and tris-(pyrazolyl-1,2,3-triazolyl) N-N' donor ligands and their application as catalysts for the dihydroalkoxylation of alkynes.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7540","7553","10.1039/c3dt53295j","","","0.71073","Synchrotron","","0.0772","0.0756","","","0.1784","0.1792","","","","","","1.205","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029583","21.252","0.004","4.4589","0.0009","10.309","0.002","90","","100.184","0.009","90","","961.5","0.3","181","2","181","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N10 -","- C20 H20 N10 -","- C40 H40 N20 -","2","0.5","","Vuong, Khuong Q.; Wong, Chin M.; Bhadbhade, Mohan; Messerle, Barbara A.","Bi- and tri-metallic Rh and Ir complexes containing click derived bis- and tris-(pyrazolyl-1,2,3-triazolyl) N-N' donor ligands and their application as catalysts for the dihydroalkoxylation of alkynes.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7540","7553","10.1039/c3dt53295j","","","0.71073","MoKα","","0.0458","0.0356","","","0.108","0.1215","","","","","","0.803","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029584","12.5978","0.0009","13.8067","0.001","15.8805","0.0011","91.334","0.003","106.014","0.003","108.407","0.003","2500.6","0.3","170","2","170","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H48 B2 Cl4 F48 N10 O4 Rh2 -","- C90 H48 B2 Cl4 F48 N10 O4 Rh2 -","- C90 H48 B2 Cl4 F48 N10 O4 Rh2 -","1","0.5","","Vuong, Khuong Q.; Wong, Chin M.; Bhadbhade, Mohan; Messerle, Barbara A.","Bi- and tri-metallic Rh and Ir complexes containing click derived bis- and tris-(pyrazolyl-1,2,3-triazolyl) N-N' donor ligands and their application as catalysts for the dihydroalkoxylation of alkynes.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7540","7553","10.1039/c3dt53295j","","","0.71073","MoKα","","0.0516","0.0455","","","0.122","0.1292","","","","","","1.031","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029585","13.054","0.003","13.837","0.003","15.174","0.003","69.18","0.03","73.8","0.03","64.55","0.03","2287.2","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H44 B2 F48 N10 O4 Rh2 -","- C88 H44 B2 F48 N10 O4 Rh2 -","- C88 H44 B2 F48 N10 O4 Rh2 -","1","0.5","","Vuong, Khuong Q.; Wong, Chin M.; Bhadbhade, Mohan; Messerle, Barbara A.","Bi- and tri-metallic Rh and Ir complexes containing click derived bis- and tris-(pyrazolyl-1,2,3-triazolyl) N-N' donor ligands and their application as catalysts for the dihydroalkoxylation of alkynes.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7540","7553","10.1039/c3dt53295j","","","0.71073","Synchrotron","","0.0385","0.0365","","","0.0923","0.0936","","","","","","1.049","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029586","19.4592","0.0009","26.2685","0.0012","22.0969","0.001","90","","94.742","0.002","90","","11256.5","0.9","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C104 H74 B2 Cl2 F48 N10 Rh2 -","- C104 H74 B2 Cl2 F48 N10 Rh2 -","- C416 H296 B8 Cl8 F192 N40 Rh8 -","4","1","","Vuong, Khuong Q.; Wong, Chin M.; Bhadbhade, Mohan; Messerle, Barbara A.","Bi- and tri-metallic Rh and Ir complexes containing click derived bis- and tris-(pyrazolyl-1,2,3-triazolyl) N-N' donor ligands and their application as catalysts for the dihydroalkoxylation of alkynes.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7540","7553","10.1039/c3dt53295j","","","0.71073","MoKα","","0.0729","0.0597","","","0.1482","0.161","","","","","","1.154","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029587","13.0223","0.0002","17.477","0.0003","12.0846","0.0002","90","","90","","90","","2750.34","0.08","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H18 N2 O2 Si -","- C11 H18 N2 O2 Si -","- C88 H144 N16 O16 Si8 -","8","2","","Kociok-Köhn, Gabriele; Mahon, Mary F.; Molloy, Kieran C.; Price, Gareth J.; Prior, Timothy J.; Smith, Douglas R. G.","Biomimetic polyorganosiloxanes: model compounds for new materials.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7734","7746","10.1039/c4dt00554f","","","0.71073","MoKα","","0.0573","0.0379","","","0.0819","0.0897","","","","","","1.033","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029588","8.0964","0.0004","8.3765","0.0005","13.0731","0.0007","98.284","0.003","92.095","0.003","99.84","0.002","862.75","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H24 N2 O2 Si -","- C17 H24 N2 O2 Si -","- C34 H48 N4 O4 Si2 -","2","1","","Kociok-Köhn, Gabriele; Mahon, Mary F.; Molloy, Kieran C.; Price, Gareth J.; Prior, Timothy J.; Smith, Douglas R. G.","Biomimetic polyorganosiloxanes: model compounds for new materials.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7734","7746","10.1039/c4dt00554f","","","0.71073","MoKα","","0.0579","0.0465","","","0.1191","0.1288","","","","","","1.043","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029589","9.509","0.0015","40.651","0.006","8.7418","0.0013","90","","98.108","0.003","90","","3345.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N3 O Si -","- C16 H23 N3 O Si -","- C128 H184 N24 O8 Si8 -","8","2","","Kociok-Köhn, Gabriele; Mahon, Mary F.; Molloy, Kieran C.; Price, Gareth J.; Prior, Timothy J.; Smith, Douglas R. G.","Biomimetic polyorganosiloxanes: model compounds for new materials.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7734","7746","10.1039/c4dt00554f","","","0.846","Synchrotron-DaresburySRSstation16.2SMX","","0.0885","0.0585","","","0.154","0.1759","","","","","","1.052","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029590","8.35","0.0004","11.016","0.0006","14.667","0.0008","103.051","0.003","94.631","0.003","107.523","0.002","1237.12","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H28 N5 Ni0.5 O2 S2 Si -","- C16 H25 N5 Ni0.5 O2 S2 Si -","- C32 H50 N10 Ni O4 S4 Si2 -","2","1","","Kociok-Köhn, Gabriele; Mahon, Mary F.; Molloy, Kieran C.; Price, Gareth J.; Prior, Timothy J.; Smith, Douglas R. G.","Biomimetic polyorganosiloxanes: model compounds for new materials.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7734","7746","10.1039/c4dt00554f","","","0.71073","MoKα","","0.1135","0.0772","","","0.2032","0.2361","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029591","7.6867","0.0003","8.6444","0.0004","17.9501","0.0011","85.273","0.002","79.127","0.002","64.283","0.002","1055.3","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H31 N2 O3 Si2 -","- C17 H31 N2 O3 Si2 -","- C34 H62 N4 O6 Si4 -","2","1","","Kociok-Köhn, Gabriele; Mahon, Mary F.; Molloy, Kieran C.; Price, Gareth J.; Prior, Timothy J.; Smith, Douglas R. G.","Biomimetic polyorganosiloxanes: model compounds for new materials.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7734","7746","10.1039/c4dt00554f","","","0.71073","MoKα","","0.0943","0.0593","","","0.1324","0.1528","","","","","","1.029","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029592","7.1751","0.0002","8.9309","0.0003","15.8082","0.0005","96.032","0.001","96.808","0.001","95.324","0.002","994.58","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N3 O2 Si2 -","- C16 H32 N3 O2 Si2 -","- C32 H64 N6 O4 Si4 -","2","1","","Kociok-Köhn, Gabriele; Mahon, Mary F.; Molloy, Kieran C.; Price, Gareth J.; Prior, Timothy J.; Smith, Douglas R. G.","Biomimetic polyorganosiloxanes: model compounds for new materials.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7734","7746","10.1039/c4dt00554f","","","0.71073","MoKα","","0.0781","0.0555","","","0.1087","0.1156","","","","","","1.107","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029593","7.5968","0.0005","8.2841","0.0005","9.0845","0.0006","104.418","0.003","98.826","0.003","95.465","0.003","541.8","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 N10 Ni O4 S4 -","- C14 H20 N10 Ni O4 S4 -","- C14 H20 N10 Ni O4 S4 -","1","0.5","","Kociok-Köhn, Gabriele; Mahon, Mary F.; Molloy, Kieran C.; Price, Gareth J.; Prior, Timothy J.; Smith, Douglas R. G.","Biomimetic polyorganosiloxanes: model compounds for new materials.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7734","7746","10.1039/c4dt00554f","","","0.71073","MoKα","","0.0594","0.045","","","0.1099","0.1186","","","","","","1.093","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029594","16.559","0.002","18.003","0.003","30.578","0.005","90","","90","","90","","9116","2","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H27 Cl4 Co P3 -","- C15 H27 Cl4 Co P3 -","- C240 H432 Cl64 Co16 P48 -","16","2","","Li, Junye; Li, Xiaoyan; Wang, Lin; Hu, Qingping; Sun, Hongjian","C-Cl bond activation and catalytic hydrodechlorination of hexachlorobenzene by cobalt and nickel complexes with sodium formate as a reducing agent.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6660","6666","10.1039/c3dt52985a","","","0.71073","MoKα","","0.0563","0.035","","","0.0819","0.0933","","","","","","0.997","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029595","11.8714","0.0008","23.3569","0.0015","14.3895","0.0009","90","","100.642","0.001","90","","3921.3","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Cl6 Ni P2 -","- C12 H18 Cl6 Ni P2 -","- C96 H144 Cl48 Ni8 P16 -","8","2","","Li, Junye; Li, Xiaoyan; Wang, Lin; Hu, Qingping; Sun, Hongjian","C-Cl bond activation and catalytic hydrodechlorination of hexachlorobenzene by cobalt and nickel complexes with sodium formate as a reducing agent.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6660","6666","10.1039/c3dt52985a","","","0.71073","MoKα","","0.059","0.0351","","","0.0837","0.102","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029596","14.9724","0.0003","14.9724","0.0003","80.713","0.003","90","","90","","120","","15669.6","0.7","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C84 H48 Cu8 Mo12 N12 O62 -","- C84 H48 Cu8 Mo12 N12 O62 -","- C504 H288 Cu48 Mo72 N72 O372 -","6","0.166667","","Qu, Zhi-Kun; Yu, Kai; Zhao, Zhi-Feng; Su, Zhan-Hua; Sha, Jing-Quan; Wang, Chun-Mei; Zhou, Bai-Bin","An organic-inorganic hybrid semiconductor material based on Lindqvist polyoxomolybdate and a tetra-nuclear copper complex containing two different ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6744","6751","10.1039/c3dt53345j","","","0.71073","MoKα","","0.0416","0.0287","","","0.0689","0.0753","","","","","","1.007","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029597","13.4656","0.0004","13.7616","0.0004","28.8882","0.0009","97.96","0.001","95.614","0.001","113.055","0.001","4809.8","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C102 H102 Cl8 Fe2 P6 Pd2 -","- C102 H102 Cl8 Fe2 P6 Pd2 -","- C204 H204 Cl16 Fe4 P12 Pd4 -","2","1","","Tohmé, Ayham; Labouille, Stéphanie; Roisnel, Thierry; Dorcet, Vincent; Carmichael, Duncan; Paul, Frédéric","Redox-active phosphines: synthesis and crystal structures of palladium(ii) complexes of a metallaphosphine in two different oxidation states.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7002","7005","10.1039/c4dt00455h","","x-ray","0.71073","MoKα","","0.0758","0.0558","","","0.1277","0.1385","","","","","","1.056","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029598","9.1942","0.0004","14.291","0.0006","19.6889","0.0008","91.262","0.002","98.633","0.002","106.329","0.002","2448.9","0.18","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C100 H98 Cl4 F12 Fe2 P8 Pd2 -","- C100 H98 Cl4 F12 Fe2 P8 Pd2 -","- C100 H98 Cl4 F12 Fe2 P8 Pd2 -","1","0.5","","Tohmé, Ayham; Labouille, Stéphanie; Roisnel, Thierry; Dorcet, Vincent; Carmichael, Duncan; Paul, Frédéric","Redox-active phosphines: synthesis and crystal structures of palladium(ii) complexes of a metallaphosphine in two different oxidation states.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7002","7005","10.1039/c4dt00455h","","x-ray","0.71073","MoKα","","0.1099","0.053","","","0.0996","0.1252","","","","","","1.043","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029599","12.6954","0.0004","13.6393","0.0004","15.0485","0.0005","90.312","0.002","94.918","0.002","112.192","0.002","2401.81","0.14","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C100 H98 Cl2 Fe2 P6 Pd -","- C100 H98 Cl2 Fe2 P6 Pd -","- C100 H98 Cl2 Fe2 P6 Pd -","1","0.5","","Tohmé, Ayham; Labouille, Stéphanie; Roisnel, Thierry; Dorcet, Vincent; Carmichael, Duncan; Paul, Frédéric","Redox-active phosphines: synthesis and crystal structures of palladium(ii) complexes of a metallaphosphine in two different oxidation states.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7002","7005","10.1039/c4dt00455h","","x-ray","0.71073","MoKα","","0.0592","0.0424","","","0.1078","0.1168","","","","","","1.069","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029600","18.3874","0.0017","13.0164","0.0011","14.3508","0.0013","90","","90","","90","","3434.7","0.5","180","2","180","2","","","","","","","synthesis as described","5","P b c n","-P 2n 2ab","60","","","","- C30 H38 Cl6 P2 Pt -","- C30 H38 Cl6 P2 Pt -","- C120 H152 Cl24 P8 Pt4 -","4","0.5","","Fourmy, Kévin; Mallet-Ladeira, Sonia; Dechy-Cabaret, Odile; Gouygou, Maryse","Platinum(ii)-phosphole complexes: synthesis and evaluation as enyne cycloisomerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6728","6734","10.1039/c3dt53588f","","x-ray","0.71073","MoKα","","0.026","0.021","","","0.0496","0.0521","","","","","","1.098","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029601","8.9972","0.0005","20.6666","0.0012","16.4344","0.0009","90","","103.66","0.002","90","","2969.4","0.3","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cl2 P2 Pt -","- C36 H26 Cl2 P2 Pt -","- C144 H104 Cl8 P8 Pt4 -","4","1","","Fourmy, Kévin; Mallet-Ladeira, Sonia; Dechy-Cabaret, Odile; Gouygou, Maryse","Platinum(ii)-phosphole complexes: synthesis and evaluation as enyne cycloisomerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6728","6734","10.1039/c3dt53588f","","x-ray","0.71073","MoKα","","0.02","0.0158","","","0.0337","0.0349","","","","","","1.042","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029602","13.458","0.001","13.458","0.001","20.967","0.001","90","","90","","120","","3288.7","0.4","123","2","123","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C57.74 H16.47 Cl1.47 F30 Fe3 N3 O13 -","- C57.735 H16.47 Cl1.47 F30 Fe3 N3 O13 -","- C115.47 H32.94 Cl2.94 F60 Fe6 N6 O26 -","2","0.166667","","Onaka, Satoru; Sakai, Yoichi; Ozeki, Tomoji; Nakamoto, Tadahiro; Kobayashi, Yusuke; Takahashi, Masashi; Ogiso, Ryo; Takayama, Tsutomu; Shiotsuka, Michito","Synthesis, structure and valence-trapping vs. detrapping for new trinuclear iron pentafluoro benzoate complexes: possible recognition of organic molecules by (57)Fe Mössbauer spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6711","6719","10.1039/c3dt53623h","","","0.71073","MoKα","","0.056","0.0439","","","0.128","0.1349","","","","","","0.997","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029603","7.0198","0.0006","18.956","0.002","11.9392","0.0007","90","","107.114","0.003","90","","1518.4","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H30 F6 Fe N6 O8 S2 -","- C24 H30 F6 Fe N6 O8 S2 -","- C48 H60 F12 Fe2 N12 O16 S4 -","2","1","","Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.","Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6769","6785","10.1039/c3dt53266f","","","0.71073","MoKα","","0.0394","0.0317","","","0.0568","0.0595","","","","","","1.068","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029604","8.3897","0.0001","8.3897","0.0001","35.4893","0.0005","90","","90","","120","","2163.32","0.05","150","2","150","2","","","","","","","","6","P 65","P 65","170","","","","- C12 H16 Cl2 Fe N2 O2 -","- C12 H16 Cl2 Fe N2 O2 -","- C72 H96 Cl12 Fe6 N12 O12 -","6","1","","Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.","Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6769","6785","10.1039/c3dt53266f","","","0.71073","MoKα","","0.03","0.0252","","","0.0507","0.0528","","","","","","1.072","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029605","11.5923","0.0001","11.6358","0.0001","12.1043","0.0002","90","","90","","90","","1632.7","0.03","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 Cl2 Fe N2 O3 -","- C13 H20 Cl2 Fe N2 O3 -","- C52 H80 Cl8 Fe4 N8 O12 -","4","1","","Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.","Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6769","6785","10.1039/c3dt53266f","","","0.71073","MoKα","","0.0251","0.0223","","","0.0491","0.0503","","","","","","1.071","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029606","8.0901","0.0001","12.9326","0.0002","14.6255","0.0002","90","","90","","90","","1530.21","0.04","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Cl2 Fe N2 O2 -","- C13 H18 Cl2 Fe N2 O2 -","- C52 H72 Cl8 Fe4 N8 O8 -","4","1","","Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.","Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6769","6785","10.1039/c3dt53266f","","","0.71073","MoKα","","0.0337","0.0271","","","0.0615","0.0647","","","","","","1.075","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029607","6.8899","0.0001","7.4891","0.0001","9.0561","0.0001","113.723","0.0008","92.0237","0.0007","107.184","0.0006","402.305","0.01","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C13 H18 Cl2 Fe N4 O -","- C13 H18 Cl2 Fe N4 O -","- C13 H18 Cl2 Fe N4 O -","1","1","","Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.","Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6769","6785","10.1039/c3dt53266f","","","0.71073","MoKα","","0.0229","0.0215","","","0.0488","0.0496","","","","","","1.084","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029608","8.89008","0.00011","8.19097","0.0001","10.05615","0.00016","90","","90.575","0.001","90","","732.236","0.017","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H17 Cl2 Fe N3 O -","- C12 H17 Cl2 Fe N3 O -","- C24 H34 Cl4 Fe2 N6 O2 -","2","1","","Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.","Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6769","6785","10.1039/c3dt53266f","","","0.71073","MoKα","","0.0157","0.0154","","","0.0401","0.0404","","","","","","1.069","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029609","11.2439","0.0001","12.5035","0.0001","16.7671","0.0002","90","","101.853","0.0004","90","","2306.99","0.04","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23.5 H25 Cl3 Fe N2 O -","- C23.5 H25 Cl3 Fe N2 O -","- C94 H100 Cl12 Fe4 N8 O4 -","4","2","","Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.","Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6769","6785","10.1039/c3dt53266f","","","0.71073","MoKα","","0.0308","0.0286","","","0.0712","0.0728","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029610","11.1681","0.0002","12.397","0.0002","16.8766","0.0003","90","","103.697","0.0008","90","","2270.13","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H26 Cl2 Fe N2 O -","- C24 H26 Cl2 Fe N2 O -","- C96 H104 Cl8 Fe4 N8 O4 -","4","2","","Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.","Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6769","6785","10.1039/c3dt53266f","","","0.71073","MoKα","","0.0546","0.0409","","","0.0846","0.0914","","","","","","1.051","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029611","10.524","0.007","10.624","0.005","18.868","0.009","78.442","0.013","87.75","0.012","65.942","0.01","1885.1","1.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H78 N4 Si4 -","- C72 H78 N4 Si4 -","- C72 H78 N4 Si4 -","1","0.5","","Ishtaiwi, Zakariyya; Rüffer, Tobias; Klaib, Sami; Buschbeck, Roy; Walfort, Bernhard; Lang, Heinrich","Porphyrins with a carbosilane dendrimer periphery as synthetic components for supramolecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7868","7888","10.1039/c3dt53535e","","","0.71073","MoKα","","0.0888","0.0721","","","0.2033","0.2209","","","","","","1.092","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029612","17.6235","0.0007","17.6235","0.0007","19.6718","0.0015","90","","90","","90","","6109.8","0.6","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","","","- C64 H68 N4 Si4 Zn -","- C64 H68 N4 Si4 Zn -","- C256 H272 N16 Si16 Zn4 -","4","1","","Ishtaiwi, Zakariyya; Rüffer, Tobias; Klaib, Sami; Buschbeck, Roy; Walfort, Bernhard; Lang, Heinrich","Porphyrins with a carbosilane dendrimer periphery as synthetic components for supramolecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7868","7888","10.1039/c3dt53535e","","","0.71073","MoKα","","0.1069","0.0536","","","0.1278","0.1441","","","","","","0.967","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029613","17.654","0.008","17.654","0.008","19.697","0.014","90","","90","","90","","6139","6","183","2","183","2","","","","","","","","5","P 43","P 4cw","78","","","","- C257 H282 Cl2 N16 Si16 -","- C257 H282 Cl2 N16 Si16 -","- C257 H282 Cl2 N16 Si16 -","1","0.25","","Ishtaiwi, Zakariyya; Rüffer, Tobias; Klaib, Sami; Buschbeck, Roy; Walfort, Bernhard; Lang, Heinrich","Porphyrins with a carbosilane dendrimer periphery as synthetic components for supramolecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7868","7888","10.1039/c3dt53535e","","","0.71073","MoKα","","0.1334","0.0557","","","0.1231","0.1434","","","","","","0.911","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029614","13.168","0.002","13.595","0.002","20.215","0.004","75.817","0.015","76.98","0.016","80.566","0.014","3395.6","1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H92 N4 O6 Si4 Zn -","- C72 H92 N4 O6 Si4 Zn -","- C144 H184 N8 O12 Si8 Zn2 -","2","1","","Ishtaiwi, Zakariyya; Rüffer, Tobias; Klaib, Sami; Buschbeck, Roy; Walfort, Bernhard; Lang, Heinrich","Porphyrins with a carbosilane dendrimer periphery as synthetic components for supramolecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7868","7888","10.1039/c3dt53535e","","","1.54184","CuKα","","0.0795","0.0661","","","0.1871","0.2008","","","","","","1.104","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029615","15.0021","0.001","25.1408","0.0001","28.4875","0.0011","111.449","0.008","90.029","0.004","107.324","0.004","9474.1","1","205","","205","","","","","","","","","5","P -1","-P 1","2","","","","- C366 H454 N8 O7 Si32 -","- C366 H454 N8 O7 Si32 -","- C366 H454 N8 O7 Si32 -","1","0.5","","Ishtaiwi, Zakariyya; Rüffer, Tobias; Klaib, Sami; Buschbeck, Roy; Walfort, Bernhard; Lang, Heinrich","Porphyrins with a carbosilane dendrimer periphery as synthetic components for supramolecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7868","7888","10.1039/c3dt53535e","","","0.71073","MoKα","","0.1406","0.0857","","","0.2552","0.2776","","","","","","1.067","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029616","10.2152","0.0002","9.981","0.0002","20.4373","0.0005","90","","91.603","0.001","90","","2082.93","0.08","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 Mo4 O4 P2 -","- C44 H64 Mo4 O4 P2 -","- C88 H128 Mo8 O8 P4 -","2","0.5","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Martínez, M Eugenia; Ramos, Alberto; Ruiz, Miguel A.","Insertion, coupling and elimination processes in the reactions of the unsaturated alkyl-bridged complexes [Mo2(η(5)-C5H5)2(μ-CH2R)(μ-PCy2)(CO)2] (R = H, Ph) with isocyanides and secondary phosphines.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7780","7794","10.1039/c4dt00398e","","x-ray","0.71073","MoKα","","0.0311","0.0224","","","0.0803","0.1075","","","","","","1.418","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029617","9.8356","0.0002","10.4133","0.0002","16.4722","0.0004","85.822","0.001","84.712","0.001","86.141","0.002","1672.33","0.06","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C35 H50 Mo2 O2 P2 -","- C35 H50 Mo2 O2 P2 -","- C70 H100 Mo4 O4 P4 -","2","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Martínez, M Eugenia; Ramos, Alberto; Ruiz, Miguel A.","Insertion, coupling and elimination processes in the reactions of the unsaturated alkyl-bridged complexes [Mo2(η(5)-C5H5)2(μ-CH2R)(μ-PCy2)(CO)2] (R = H, Ph) with isocyanides and secondary phosphines.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7780","7794","10.1039/c4dt00398e","","x-ray","0.71073","MoKα","","0.0476","0.0309","","","0.0915","0.1276","","","","","","1.305","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029618","9.7328","0.0006","11.031","0.0006","32.6832","0.0019","90","","94.841","0.002","90","","3496.4","0.4","100","2","100","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Mo2 N O3 P -","- C34 H42 Mo2 N O3 P -","- C136 H168 Mo8 N4 O12 P4 -","4","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Martínez, M Eugenia; Ramos, Alberto; Ruiz, Miguel A.","Insertion, coupling and elimination processes in the reactions of the unsaturated alkyl-bridged complexes [Mo2(η(5)-C5H5)2(μ-CH2R)(μ-PCy2)(CO)2] (R = H, Ph) with isocyanides and secondary phosphines.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7780","7794","10.1039/c4dt00398e","","x-ray","0.71073","MoKα","","0.0714","0.0423","","","0.0773","0.0848","","","","","","0.966","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029619","10.8426","0.0011","8.6483","0.0008","16.3104","0.0016","90","","97.114","0.002","90","","1517.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl3 Fe N3 -","- C13 H15 Cl3 Fe N3 -","- C52 H60 Cl12 Fe4 N12 -","4","1","","Sankaralingam, Muniyandi; Saravanan, Natarajan; Anitha, Natarajan; Suresh, Eringathodi; Palaniandavar, Mallayan","Biomimetic iron(iii) complexes of facially and meridionally coordinating tridentate 3N ligands: tuning of regioselective extradiol dioxygenase activity in organized assemblies.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6828","6841","10.1039/c3dt52350k","","","0.71073","MoKα","","0.0597","0.0502","","","0.0981","0.1019","","","","","","1.133","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029620","7.461","0.0007","15.9155","0.0015","13.6602","0.0013","90","","103.724","0.002","90","","1575.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl3 Fe N4 -","- C12 H16 Cl3 Fe N4 -","- C48 H64 Cl12 Fe4 N16 -","4","1","","Sankaralingam, Muniyandi; Saravanan, Natarajan; Anitha, Natarajan; Suresh, Eringathodi; Palaniandavar, Mallayan","Biomimetic iron(iii) complexes of facially and meridionally coordinating tridentate 3N ligands: tuning of regioselective extradiol dioxygenase activity in organized assemblies.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6828","6841","10.1039/c3dt52350k","","","0.71073","MoKα","","0.0629","0.0515","","","0.0969","0.1008","","","","","","1.146","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029621","8.3776","0.0017","13.897","0.003","16.716","0.003","90","","90","","90","","1946.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Cl2 N2 O2 -","- C20 H26 Cl2 N2 O2 -","- C80 H104 Cl8 N8 O8 -","4","1","","Farrell, Joshua R.; Niconchuk, Jonathan A.; Renehan, Peter R.; Higham, Christine S.; Yoon, Eric; Andrews, Mark V.; Shaw, Janet L.; Cetin, Anil; Engle, James; Ziegler, Christopher J.","New diamino-diheterophenol ligands coordinate iron(iii) to make structural and functional models of protocatechuate 3,4-dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6610","6613","10.1039/c3dt53431f","","","0.71073","MoKα","","0.0669","0.0564","","","0.1478","0.1543","","","","","","0.968","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029622","11.477","0.004","17.017","0.006","14.198","0.005","90","","96.999","0.006","90","","2752.3","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Cl Fe N2 O2 -","- C28 H42 Cl Fe N2 O2 -","- C112 H168 Cl4 Fe4 N8 O8 -","4","1","","Farrell, Joshua R.; Niconchuk, Jonathan A.; Renehan, Peter R.; Higham, Christine S.; Yoon, Eric; Andrews, Mark V.; Shaw, Janet L.; Cetin, Anil; Engle, James; Ziegler, Christopher J.","New diamino-diheterophenol ligands coordinate iron(iii) to make structural and functional models of protocatechuate 3,4-dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6610","6613","10.1039/c3dt53431f","","","0.71073","MoKα","","0.0494","0.0379","","","0.0933","0.098","","","","","","1.004","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029623","11.359","0.015","16.93","0.02","14.284","0.018","90","","96.78","0.02","90","","2728","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl3 Fe N2 O2 -","- C26 H36 Cl3 Fe N2 O2 -","- C104 H144 Cl12 Fe4 N8 O8 -","4","1","","Farrell, Joshua R.; Niconchuk, Jonathan A.; Renehan, Peter R.; Higham, Christine S.; Yoon, Eric; Andrews, Mark V.; Shaw, Janet L.; Cetin, Anil; Engle, James; Ziegler, Christopher J.","New diamino-diheterophenol ligands coordinate iron(iii) to make structural and functional models of protocatechuate 3,4-dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6610","6613","10.1039/c3dt53431f","","","0.71073","MoKα","","0.0771","0.0478","","","0.0983","0.1082","","","","","","0.942","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029624","8.471","0.006","24.118","0.016","12.526","0.009","90","","109.195","0.013","90","","2417","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl3 Fe N2 O2 -","- C20 H24 Cl3 Fe N2 O2 -","- C80 H96 Cl12 Fe4 N8 O8 -","4","1","","Farrell, Joshua R.; Niconchuk, Jonathan A.; Renehan, Peter R.; Higham, Christine S.; Yoon, Eric; Andrews, Mark V.; Shaw, Janet L.; Cetin, Anil; Engle, James; Ziegler, Christopher J.","New diamino-diheterophenol ligands coordinate iron(iii) to make structural and functional models of protocatechuate 3,4-dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6610","6613","10.1039/c3dt53431f","","","0.71073","MoKα","","0.1282","0.0634","","","0.1355","0.1561","","","","","","0.893","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029625","10.3062","0.0011","31.646","0.004","11.0699","0.0012","90","","99.483","0.002","90","","3561.1","0.7","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H46 Cl N2 O2 -","- C40 H46 Cl N2 O2 -","- C160 H184 Cl4 N8 O8 -","4","2","","Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.","Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8261","8272","10.1039/c4dt00510d","","","0.71073","MoKα","","0.0693","0.0546","","","0.1347","0.1458","","","","","","1.014","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029626","11.0875","0.0007","14.6797","0.001","21.1257","0.0014","90","","90","","90","","3438.4","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 Br N3 O3 Zr -","- C37 H42 Br N3 O3 Zr -","- C148 H168 Br4 N12 O12 Zr4 -","4","1","","Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.","Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8261","8272","10.1039/c4dt00510d","","","0.71073","MoKα","","0.0336","0.0286","","","0.0598","0.0611","","","","","","1.002","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029627","11.1599","0.0012","14.8336","0.0017","20.608","0.002","90","","90","","90","","3411.5","0.6","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 Cl N3 O3 Zr -","- C37 H42 Cl N3 O3 Zr -","- C148 H168 Cl4 N12 O12 Zr4 -","4","1","","Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.","Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8261","8272","10.1039/c4dt00510d","","","0.71073","MoKα","","0.0368","0.0316","","","0.0632","0.0653","","","","","","1.024","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029628","18.0484","0.0006","24.5701","0.0009","46.1636","0.0017","90","","90","","90","","20471.3","1.3","110","2","110","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C43 H54 Cl N3 O3 Zr -","- C43 H54 Cl N3 O3 Zr -","- C688 H864 Cl16 N48 O48 Zr16 -","16","2","","Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.","Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8261","8272","10.1039/c4dt00510d","","","0.71073","MoKα","","0.0615","0.0513","","","0.1207","0.1249","","","","","","1.039","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029629","12.3919","0.0013","15.1779","0.0016","29.978","0.003","90","","90","","90","","5638.4","1","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H70 Cl N3 O3 Ti -","- C51 H70 Cl N3 O3 Ti -","- C204 H280 Cl4 N12 O12 Ti4 -","4","1","","Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.","Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8261","8272","10.1039/c4dt00510d","","","0.71073","MoKα","","0.0467","0.0397","","","0.0974","0.1008","","","","","","1.041","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029630","12.7285","0.0015","15.0219","0.0018","30.104","0.004","90","","90","","90","","5756.1","1.2","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H70 Cl N3 O3 Zr -","- C51 H70 Cl N3 O3 Zr -","- C204 H280 Cl4 N12 O12 Zr4 -","4","1","","Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.","Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8261","8272","10.1039/c4dt00510d","","","0.71073","MoKα","","0.0349","0.0307","","","0.0758","0.0774","","","","","","1.041","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029631","12.7812","0.0006","14.9521","0.0008","30.0898","0.0016","90","","90","","90","","5750.3","0.5","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H86 Cl Hf N3 O5 -","- C59 H86 Cl Hf N3 O5 -","- C236 H344 Cl4 Hf4 N12 O20 -","4","1","","Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.","Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8261","8272","10.1039/c4dt00510d","","","0.71073","MoKα","","0.0244","0.0224","","","0.0477","0.0482","","","","","","1.011","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029632","15.2108","0.001","18.9002","0.0013","22.5907","0.0016","90","","90","","90","","6494.5","0.8","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C71 H92 Cl N3 O3 Zr -","- C71 H92 Cl N3 O3 Zr -","- C284 H368 Cl4 N12 O12 Zr4 -","4","1","","Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.","Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8261","8272","10.1039/c4dt00510d","","","0.71073","MoKα","","0.0485","0.041","","","0.1017","0.1077","","","","","","1.039","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029633","19.2769","0.0008","19.2769","0.0008","18.5886","0.0008","90","","90","","90","","6907.5","0.5","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C44 H60 Cl8 Co4 N4 O4 S4 -","- C44 H60 Cl8 Co4 N4 O4 S4 -","- C176 H240 Cl32 Co16 N16 O16 S16 -","4","0.25","","Ghisolfi, Alessio; Monakhov, Kirill Yu; Pattacini, Roberto; Braunstein, Pierre; López, Xavier; de Graaf, Coen; Speldrich, Manfred; van Leusen, Jan; Schilder, Helmut; Kögerler, Paul","A comparative synthetic, magnetic and theoretical study of functional M4Cl4 cubane-type Co(ii) and Ni(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7847","7859","10.1039/c4dt00306c","","","0.71073","MoKα","","0.0613","0.0451","","","0.1184","0.1284","","","","","","1.083","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029634","19.091","0.001","19.091","0.001","18.729","0.001","90","","90","","90","","6826.1","0.6","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C44 H60 Cl8 N4 Ni4 O4 S4 -","- C44 H60 Cl8 N4 Ni4 O4 S4 -","- C176 H240 Cl32 N16 Ni16 O16 S16 -","4","0.25","","Ghisolfi, Alessio; Monakhov, Kirill Yu; Pattacini, Roberto; Braunstein, Pierre; López, Xavier; de Graaf, Coen; Speldrich, Manfred; van Leusen, Jan; Schilder, Helmut; Kögerler, Paul","A comparative synthetic, magnetic and theoretical study of functional M4Cl4 cubane-type Co(ii) and Ni(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7847","7859","10.1039/c4dt00306c","","","0.71073","MoKα","","0.0623","0.0546","","","0.1257","0.1314","","","","","","1.167","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029635","20.831","0.004","21.372","0.004","45.279","0.012","90","","117.11","0.02","90","","17943","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C111 H87 Mn6 Mo3 N51 O6 -","- C111 H87 Mn6 Mo3 N51 O6 -","- C444 H348 Mn24 Mo12 N204 O24 -","4","1","","Wang, Qing-Lun; Zhang, Yuan-Zhu; Southerland, Heather; Prosvirin, Andrey V.; Zhao, Hanhua; Dunbar, Kim R.","Variations in topology and magnetic properties of hepta- and octacyanometallates of molybdenum with manganese(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6802","6810","10.1039/c3dt53485e","","","0.7107","MoKα","","0.1137","0.1051","","","0.2561","0.2619","","","","","","1.03","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029636","15.518","0.003","17.43","0.004","21.899","0.004","93.07","0.03","109.74","0.03","109","0.03","5182","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H86 Mn4 Mo2 N35 O -","- C75 H85 Mn4 Mo2 N35 O -","- C150 H170 Mn8 Mo4 N70 O2 -","2","1","","Wang, Qing-Lun; Zhang, Yuan-Zhu; Southerland, Heather; Prosvirin, Andrey V.; Zhao, Hanhua; Dunbar, Kim R.","Variations in topology and magnetic properties of hepta- and octacyanometallates of molybdenum with manganese(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6802","6810","10.1039/c3dt53485e","","","0.71073","MoKα","","0.0686","0.0541","","","0.1516","0.1605","","","","","","1.05","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029637","40.845","0.008","17.007","0.003","24.632","0.005","90","","120.68","0.03","90","","14716","7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56.5 H64 Mn3 Mo1.5 N26.5 O7.5 -","- C56.5 H64 Mn3 Mo1.5 N26.5 O7 -","- C452 H512 Mn24 Mo12 N212 O56 -","8","1","","Wang, Qing-Lun; Zhang, Yuan-Zhu; Southerland, Heather; Prosvirin, Andrey V.; Zhao, Hanhua; Dunbar, Kim R.","Variations in topology and magnetic properties of hepta- and octacyanometallates of molybdenum with manganese(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6802","6810","10.1039/c3dt53485e","","","0.71073","MoKα","","0.0519","0.0424","","","0.1177","0.1281","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029638","16.957","0.003","14.646","0.003","22.159","0.004","90","","104.91","0.03","90","","5317.9","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Mn Mo0.5 N9 O5.5 -","- C19 H22 Mn Mo0.5 N9 O5.5 -","- C152 H176 Mn8 Mo4 N72 O44 -","8","1","","Wang, Qing-Lun; Zhang, Yuan-Zhu; Southerland, Heather; Prosvirin, Andrey V.; Zhao, Hanhua; Dunbar, Kim R.","Variations in topology and magnetic properties of hepta- and octacyanometallates of molybdenum with manganese(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6802","6810","10.1039/c3dt53485e","","","0.71073","MoKα","","0.0411","0.038","","","0.1199","0.1239","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029639","13.491","0.0003","14.8072","0.0003","19.0764","0.0004","89.338","0.002","81.06","0.002","77.729","0.002","3677.57","0.14","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C65 H93 Cl O13 P2 Ru Si8 -","- C65 H93 Cl O13 P2 Ru Si8 -","- C130 H186 Cl2 O26 P4 Ru2 Si16 -","2","1","","Zak, Patrycja; Kubicki, Maciej; Marciniec, Bogdan; Rogalski, Szymon; Pietraszuk, Cezary; Frąckowiak, Dawid","The first ruthenium-silsesquioxyl complexes - synthesis, structure and mechanistic implications in silylative coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7911","7916","10.1039/c4dt00553h","","","0.71073","MoKα","","0.0417","0.0307","","","0.0706","0.0754","","","","","","1.038","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029640","6.255","0.003","18.109","0.007","10.221","0.004","90","","95.525","0.006","90","","1152.4","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N3 O S -","- C13 H9 N3 O S -","- C52 H36 N12 O4 S4 -","4","1","","Adhami, Forogh; Safavi, Maliheh; Ehsani, Maryam; Ardestani, Sussan K.; Emmerling, Franziska; Simyari, Farzaneh","Synthesis, crystal structure, and cytotoxic activity of novel cyclic systems in [1,2,4]thiadiazolo[2,3-a]pyridine benzamide derivatives and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7945","7957","10.1039/c3dt52905c","","","0.71073","MoKα","","0.0846","0.0362","","","0.0735","0.0834","","","","","","0.823","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029641","11.678","0.006","3.995","0.002","26.939","0.015","90","","98.965","0.009","90","","1241.4","1.1","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N3 O S -","- C14 H11 N3 O S -","- C56 H44 N12 O4 S4 -","4","1","","Adhami, Forogh; Safavi, Maliheh; Ehsani, Maryam; Ardestani, Sussan K.; Emmerling, Franziska; Simyari, Farzaneh","Synthesis, crystal structure, and cytotoxic activity of novel cyclic systems in [1,2,4]thiadiazolo[2,3-a]pyridine benzamide derivatives and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7945","7957","10.1039/c3dt52905c","","","0.71073","MoKα","","0.0771","0.0504","","","0.1265","0.1603","","","","","","0.971","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029642","8.158","0.005","8.426","0.005","11.183","0.006","78.716","0.008","76.857","0.008","71.514","0.008","703.6","0.7","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H22 Cl2 Cu N6 O2 S2 -","- C28 H22 Cl2 Cu N6 O2 S2 -","- C28 H22 Cl2 Cu N6 O2 S2 -","1","0.5","","Adhami, Forogh; Safavi, Maliheh; Ehsani, Maryam; Ardestani, Sussan K.; Emmerling, Franziska; Simyari, Farzaneh","Synthesis, crystal structure, and cytotoxic activity of novel cyclic systems in [1,2,4]thiadiazolo[2,3-a]pyridine benzamide derivatives and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7945","7957","10.1039/c3dt52905c","","","0.71073","MoKα","","0.0568","0.0406","","","0.0973","0.1028","","","","","","0.956","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029643","13.947","0.004","14.75","0.005","13.897","0.004","90","","98.561","0.005","90","","2827","1.5","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cl2 Cu N6 O2 S2 -","- C28 H22 Cl2 Cu N6 O2 S2 -","- C112 H88 Cl8 Cu4 N24 O8 S8 -","4","1","","Adhami, Forogh; Safavi, Maliheh; Ehsani, Maryam; Ardestani, Sussan K.; Emmerling, Franziska; Simyari, Farzaneh","Synthesis, crystal structure, and cytotoxic activity of novel cyclic systems in [1,2,4]thiadiazolo[2,3-a]pyridine benzamide derivatives and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7945","7957","10.1039/c3dt52905c","","","0.71073","MoKα","","0.0813","0.042","","","0.0875","0.0945","","","","","","0.846","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029644","12.018","0.004","5.2813","0.0016","21.723","0.006","90","","97.502","0.004","90","","1367","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O S -","- C14 H13 N3 O S -","- C56 H52 N12 O4 S4 -","4","1","","Adhami, Forogh; Safavi, Maliheh; Ehsani, Maryam; Ardestani, Sussan K.; Emmerling, Franziska; Simyari, Farzaneh","Synthesis, crystal structure, and cytotoxic activity of novel cyclic systems in [1,2,4]thiadiazolo[2,3-a]pyridine benzamide derivatives and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7945","7957","10.1039/c3dt52905c","","","0.71073","MoKα","","0.111","0.0418","","","0.1051","0.1231","","","","","","0.814","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029645","7.201","0.003","18.487","0.008","10.441","0.005","90","","108.926","0.007","90","","1314.8","1","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N3 O S -","- C14 H13 N3 O S -","- C56 H52 N12 O4 S4 -","4","1","","Adhami, Forogh; Safavi, Maliheh; Ehsani, Maryam; Ardestani, Sussan K.; Emmerling, Franziska; Simyari, Farzaneh","Synthesis, crystal structure, and cytotoxic activity of novel cyclic systems in [1,2,4]thiadiazolo[2,3-a]pyridine benzamide derivatives and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7945","7957","10.1039/c3dt52905c","","","0.71073","MoKα","","0.0692","0.0395","","","0.0893","0.097","","","","","","0.897","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029646","12.7107","0.0007","18.029","0.0009","11.5181","0.0006","90","","101.98","0.003","90","","2582","0.2","296","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O S -","- C14 H11 N3 O S -","- C112 H88 N24 O8 S8 -","8","2","","Adhami, Forogh; Safavi, Maliheh; Ehsani, Maryam; Ardestani, Sussan K.; Emmerling, Franziska; Simyari, Farzaneh","Synthesis, crystal structure, and cytotoxic activity of novel cyclic systems in [1,2,4]thiadiazolo[2,3-a]pyridine benzamide derivatives and their copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7945","7957","10.1039/c3dt52905c","","","0.71073","MoKα","","0.0607","0.0385","","","0.0972","0.106","","","","","","0.959","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029647","3.9498","0.0008","11.228","0.0006","5.542","0.0009","90","","134.56","0.03","90","","175.12","0.1","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","Gd4 O3 F6","","","- F6 Gd4 O3 -","- F6 Gd4 O3 -","- F6 Gd4 O3 -","1","0.25","","Grzyb, Tomasz; Wiglusz, Rafal J.; Nagirnyi, Vitali; Kotlov, Aleksei; Lis, Stefan","Revised crystal structure and luminescent properties of gadolinium oxyfluoride Gd4O3F6 doped with Eu(3+) ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6925","6934","10.1039/c4dt00338a","","","","","","0.0226879","","","0.0329143","","","","","0.0236171","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029648","16.3107","0.0003","18.4332","0.0003","27.2131","0.0004","90","","90.459","0.001","90","","8181.6","0.2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C99 H114 Fe3 -","- C99 H114 Fe3 -","- C396 H456 Fe12 -","4","1","","Misra, Rajneesh; Sharma, Rekha; Mobin, Shaikh M.","Star shaped ferrocenyl truxenes: synthesis, structure and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6891","6896","10.1039/c4dt00210e","","","0.71073","MoKα","","0.0721","0.0553","","","0.1455","0.1614","","","","","","1.025","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029649","9.9334","0.0015","29.643","0.004","8.6911","0.0013","90","","110.985","0.001","90","","2389.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N O5 P Re -","- C27 H19 N O5 P Re -","- C108 H76 N4 O20 P4 Re4 -","4","1","","Hayes, Thomas R; Kasten, Benjamin B; Barnes, Charles L; Benny, Paul D","Rhenium and technetium bi- and tricarbonyl complexes in a new strategy for biomolecule incorporation using click chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","6998","7001","10.1039/c4dt00684d","","","0.71073","MoKα","","0.0242","0.0199","","","0.0414","0.0429","","","","","","1.025","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029650","10.8612","0.0003","14.6446","0.0005","15.5216","0.0005","77.959","0.001","82.039","0.001","72.215","0.001","2291.7","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H36 Cl6 N O4 P2 Re -","- C46 H36 Cl6 N O4 P2 Re -","- C92 H72 Cl12 N2 O8 P4 Re2 -","2","1","","Hayes, Thomas R; Kasten, Benjamin B; Barnes, Charles L; Benny, Paul D","Rhenium and technetium bi- and tricarbonyl complexes in a new strategy for biomolecule incorporation using click chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","6998","7001","10.1039/c4dt00684d","","","0.71073","MoKα","","0.0259","0.023","","","0.0555","0.0569","","","","","","1.042","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029651","8.6015","0.0009","10.2481","0.0011","11.3012","0.0012","88.95","0.001","74.711","0.001","86.081","0.001","958.69","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N3 O7 Re -","- C16 H16 N3 O7 Re -","- C32 H32 N6 O14 Re2 -","2","1","","Hayes, Thomas R; Kasten, Benjamin B; Barnes, Charles L; Benny, Paul D","Rhenium and technetium bi- and tricarbonyl complexes in a new strategy for biomolecule incorporation using click chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","6998","7001","10.1039/c4dt00684d","","","0.71073","MoKα","","0.0181","0.0166","","","0.0398","0.0404","","","","","","1.045","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029652","10.1876","0.0014","10.5072","0.0014","15.09","0.002","86.062","0.001","70.417","0.001","86.951","0.001","1517.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 N3 O6 P Re -","- C33 H29 N3 O6 P Re -","- C66 H58 N6 O12 P2 Re2 -","2","1","","Hayes, Thomas R; Kasten, Benjamin B; Barnes, Charles L; Benny, Paul D","Rhenium and technetium bi- and tricarbonyl complexes in a new strategy for biomolecule incorporation using click chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","6998","7001","10.1039/c4dt00684d","","","0.71073","MoKα","","0.0145","0.0141","","","0.0338","0.0339","","","","","","1.079","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029653","17.1322","0.0006","12.29","0.0004","21.1693","0.0008","90","","100.763","0.001","90","","4378.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H39 Cl3 N3 O4 P2 Re -","- C49 H39 Cl3 N3 O4 P2 Re -","- C196 H156 Cl12 N12 O16 P8 Re4 -","4","1","","Hayes, Thomas R; Kasten, Benjamin B; Barnes, Charles L; Benny, Paul D","Rhenium and technetium bi- and tricarbonyl complexes in a new strategy for biomolecule incorporation using click chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","6998","7001","10.1039/c4dt00684d","","","0.71073","MoKα","","0.0426","0.0299","","","0.0537","0.0587","","","","","","1.032","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029654","15.2789","0.0007","10.8642","0.0007","22.0898","0.0011","90","","92.034","0.002","90","","3664.4","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 Cd Cu2 N6 O4 S2 -","- C38 H36 Cd Cu2 N6 O4 S2 -","- C152 H144 Cd4 Cu8 N24 O16 S8 -","4","0.5","","Hazari, Alokesh; Das, Lakshmi Kanta; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","The influence of H-bonding on the 'ambidentate' coordination behaviour of the thiocyanate ion to Cd(ii): a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","8007","8015","10.1039/c3dt53318b","","","0.71073","MoKα","","0.0299","0.0262","","","0.0661","0.0682","","","","","","1.034","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029655","10.547","0.005","19.628","0.005","38.251","0.005","90","0.005","90","0.005","90","0.005","7919","4","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C38 H44 Cd Cu2 N6 O4 S2 -","- C38 H44 Cd Cu2 N6 O4 S2 -","- C304 H352 Cd8 Cu16 N48 O32 S16 -","8","0.5","","Hazari, Alokesh; Das, Lakshmi Kanta; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","The influence of H-bonding on the 'ambidentate' coordination behaviour of the thiocyanate ion to Cd(ii): a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","8007","8015","10.1039/c3dt53318b","","","0.71073","MoKα","","0.0447","0.0346","","","0.0784","0.0872","","","","","","1.046","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029656","8.6854","0.0011","10.5387","0.0013","13.6525","0.0017","104.677","0.001","92.066","0.001","112.022","0.001","1108.6","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H23 F6 N3 O6 Pd S2 -","- C13 H23 F6 N3 O6 Pd S2 -","- C26 H46 F12 N6 O12 Pd2 S4 -","2","1","","Hosokawa, Hitoshi; Funasako, Yusuke; Mochida, Tomoyuki","Ionic liquids from cationic palladium(ii) chelate complexes: preparation, thermal properties, and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6864","6869","10.1039/c4dt00192c","","","0.71073","MoKα","","0.0265","0.0262","","","0.069","0.0694","","","","","","1.113","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029657","13.4591","0.0018","12.0133","0.0016","16.538","0.002","90","","106.677","0.002","90","","2561.5","0.6","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 F6 N3 O6 Pd S2 -","- C16 H29 F6 N3 O6 Pd S2 -","- C64 H116 F24 N12 O24 Pd4 S8 -","4","1","","Hosokawa, Hitoshi; Funasako, Yusuke; Mochida, Tomoyuki","Ionic liquids from cationic palladium(ii) chelate complexes: preparation, thermal properties, and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6864","6869","10.1039/c4dt00192c","","","0.71073","MoKα","","0.0217","0.0202","","","0.0511","0.0521","","","","","","1.049","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029658","14.94","0.007","17.007","0.008","25.222","0.012","99.486","0.006","97.232","0.007","102.134","0.007","6093","5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H39 F6 N3 O6 Pd S2 -","- C21 H39 F6 N3 O6 Pd S2 -","- C168 H312 F48 N24 O48 Pd8 S16 -","8","4","","Hosokawa, Hitoshi; Funasako, Yusuke; Mochida, Tomoyuki","Ionic liquids from cationic palladium(ii) chelate complexes: preparation, thermal properties, and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6864","6869","10.1039/c4dt00192c","","","0.71073","MoKα","","0.1061","0.0653","","","0.1433","0.1652","","","","","","1.005","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029659","9.8653","0.0004","34.3089","0.0013","9.4512","0.0003","90","","103.128","0.002","90","","3115.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(2,4-hexanedionate) mono(5-nitro-1,10-phenanthroline)erbium(III)","","- C30 H34 Er N3 O8 -","- C30 H34 Er N3 O8 -","- C120 H136 Er4 N12 O32 -","4","1","","Silva, M. Ramos; Martín-Ramos, P; Coutinho, J. T.; Pereira, L. C. J.; Martín-Gil, J","Effect of the capping ligand on luminescent erbium(iii) β-diketonate single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6752","6761","10.1039/c4dt00168k","","","0.71073","MoKα","","0.0999","0.0744","","","0.1295","0.1363","","","","","","1.266","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029660","9.4068","0.0002","23.0764","0.0004","13.1493","0.0003","90","","92.5718","0.0012","90","","2851.51","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris(2,4-hexanedionate) mono(2,2-bipyridine)erbium(III)","","- C28 H35 Er N2 O6 -","- C28 H35 Er N2 O6 -","- C112 H140 Er4 N8 O24 -","4","1","","Silva, M. Ramos; Martín-Ramos, P; Coutinho, J. T.; Pereira, L. C. J.; Martín-Gil, J","Effect of the capping ligand on luminescent erbium(iii) β-diketonate single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6752","6761","10.1039/c4dt00168k","","","0.71073","MoKα","","0.0462","0.0268","","","0.0542","0.0607","","","","","","0.986","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029661","11.978","0.0007","12.418","0.0007","13.987","0.0008","102.863","0.003","94.026","0.003","107.715","0.003","1910.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tris(2,4-hexanedionate) mono(bathophenanthroline)erbium(III)","","- C42 H43 Er N2 O6 -","- C42 H43 Er N2 O6 -","- C84 H86 Er2 N4 O12 -","2","1","","Silva, M. Ramos; Martín-Ramos, P; Coutinho, J. T.; Pereira, L. C. J.; Martín-Gil, J","Effect of the capping ligand on luminescent erbium(iii) β-diketonate single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6752","6761","10.1039/c4dt00168k","","","0.71073","MoKα","","0.2141","0.0946","","","0.293","0.3442","","","","","","0.978","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029662","10.6689","0.0002","12.0355","0.0002","13.0403","0.0003","80.5885","0.0018","88.0024","0.0018","68.543","0.002","1536.85","0.06","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 B2 F8 Fe N6 S -","- C29 H28 B2 F8 Fe N6 S -","- C58 H56 B4 F16 Fe2 N12 S2 -","2","1","","Widger, Leland R.; Jiang, Yunbo; McQuilken, Alison C.; Yang, Tzuhsiung; Siegler, Maxime A.; Matsumura, Hirotoshi; Moënne-Loccoz, Pierre; Kumar, Devesh; de Visser, Sam P.; Goldberg, David P.","Thioether-ligated iron(ii) and iron(iii)-hydroperoxo/alkylperoxo complexes with an H-bond donor in the second coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7522","7532","10.1039/c4dt00281d","","","0.71073","MoKα","","0.0373","0.0325","","","0.0877","0.0905","","","","","","1.061","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029663","35.1087","0.0004","10.08753","0.00009","19.9277","0.0002","90","","90","","90","","7057.6","0.12","100","2","100","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C34 H37 B F4.67 Fe N8 O S -","- C34 H37 B F4.667 Fe N7.999 O S -","- C272 H296 B8 F37.336 Fe8 N63.992 O8 S8 -","8","1","","Widger, Leland R.; Jiang, Yunbo; McQuilken, Alison C.; Yang, Tzuhsiung; Siegler, Maxime A.; Matsumura, Hirotoshi; Moënne-Loccoz, Pierre; Kumar, Devesh; de Visser, Sam P.; Goldberg, David P.","Thioether-ligated iron(ii) and iron(iii)-hydroperoxo/alkylperoxo complexes with an H-bond donor in the second coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7522","7532","10.1039/c4dt00281d","","","1.54178","CuKα","","0.0366","0.0322","","","0.0791","0.0821","","","","","","1.026","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029664","10.4419","0.0003","14.5834","0.0003","17.295","0.0004","90.6304","0.0019","105.768","0.002","106.791","0.002","2415.01","0.11","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H42 B2 F8 Fe N6 O S -","- C44 H42 B2 F8 Fe N6 O S -","- C88 H84 B4 F16 Fe2 N12 O2 S2 -","2","1","","Widger, Leland R.; Jiang, Yunbo; McQuilken, Alison C.; Yang, Tzuhsiung; Siegler, Maxime A.; Matsumura, Hirotoshi; Moënne-Loccoz, Pierre; Kumar, Devesh; de Visser, Sam P.; Goldberg, David P.","Thioether-ligated iron(ii) and iron(iii)-hydroperoxo/alkylperoxo complexes with an H-bond donor in the second coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7522","7532","10.1039/c4dt00281d","","","0.71073","MoKα","","0.0475","0.0401","","","0.1117","0.1155","","","","","","1.102","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029665","12.835","0.003","9.381","0.0019","28.713","0.006","90","","90","","90","","3457.2","1.3","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C160 H168 N24 O16 -","8","1","","Lee, Seul Ah; You, Ga Rim; Choi, Ye Won; Jo, Hyun Yong; Kim, Ah Ram; Noh, Insup; Kim, Sung-Jin; Kim, Youngmee; Kim, Cheal","A new multifunctional Schiff base as a fluorescence sensor for Al(3+) and a colorimetric sensor for CN(-) in aqueous media: an application to bioimaging.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6650","6659","10.1039/c4dt00361f","","","0.71073","MoKα","","0.1587","0.0607","","","0.1328","0.1596","","","","","","0.769","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029666","8.3882","0.0014","11.1278","0.0018","11.3535","0.0018","71.834","0.002","79.964","0.002","73.789","0.002","962.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H27 N2 O7 -","- C18 H22 N2 O7 -","- C36 H44 N4 O14 -","2","1","","Gao, Jiaojiao; Xing, Feifei; Bai, Yueling; Zhu, Shourong","Synthesis, spectroscopy, and binding constants of ketocatechol-containing iminodiacetic acid and its Fe(iii), Cu(ii), and Zn(ii) complexes and reaction of Cu(ii) complex with H2O2 in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7964","7978","10.1039/c4dt00118d","","","0.71073","MoKα","","0.1295","0.0874","","","0.2333","0.2914","","","","","","1.031","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029667","9.2211","0.0005","18.1848","0.001","9.7227","0.0006","90","","104.994","0.001","90","","1574.83","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd N2 O5 -","- C16 H14 Cd N2 O5 -","- C64 H56 Cd4 N8 O20 -","4","1","","Huang, Yumei; Zheng, Xiaofang; Duan, Jingui; Liu, Wenlong; Zhou, Li; Wang, Chenggang; Wen, Lili; Zhao, Jinbo; Li, Dongfeng","A highly stable multifunctional three-dimensional microporous framework: excellent selective sorption and visible photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6811","6818","10.1039/c4dt00230j","","","0.71073","MoKα","","0.0298","0.0237","","","0.0689","0.0801","","","","","","1.195","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029668","18.4237","0.001","11.3275","0.0006","19.4776","0.0009","90","","90.146","0.001","90","","4064.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 N7 O12 Zn2 -","- C43 H39 N7 O12 Zn2 -","- C172 H156 N28 O48 Zn8 -","4","1","","Karmakar, Anirban; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Zinc metal-organic frameworks: efficient catalysts for the diastereoselective Henry reaction and transesterification.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7795","7810","10.1039/c4dt00219a","","","0.71069","MoKα","","0.1135","0.0503","","","0.1042","0.1214","","","","","","0.92","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029669","15.4488","0.0006","18.1141","0.0007","17.5541","0.0007","90","","103.171","0.003","90","","4783.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H119 N5 O39 Zn4 -","- C39 H47 N5 O21 Zn4 -","- C78 H94 N10 O42 Zn8 -","2","0.5","","Karmakar, Anirban; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Zinc metal-organic frameworks: efficient catalysts for the diastereoselective Henry reaction and transesterification.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7795","7810","10.1039/c4dt00219a","","","0.71073","MoKα","","0.0996","0.0579","","","0.1559","0.1708","","","","","","0.885","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029670","6.2898","0.0003","19.3555","0.0011","14.9434","0.0008","90","","90.931","0.002","90","","1819","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O8 Zn -","- C17 H17 N O8 Zn -","- C68 H68 N4 O32 Zn4 -","4","1","","Karmakar, Anirban; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Zinc metal-organic frameworks: efficient catalysts for the diastereoselective Henry reaction and transesterification.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7795","7810","10.1039/c4dt00219a","","","0.71069","MoKα","","0.0525","0.0401","","","0.1003","0.1058","","","","","","1.085","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029671","14.3822","0.0005","16.6752","0.0006","15.1543","0.0004","90","","96.312","0.003","90","","3612.4","0.2","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Cl N3 O2 P2 Ru S -","- C40 H36 Cl N3 O2 P2 Ru S -","- C160 H144 Cl4 N12 O8 P8 Ru4 S4 -","4","1","","Ramachandran, Rangasamy; Prakash, Govindan; Selvamurugan, Sellappan; Viswanathamurthi, Periasamy; Malecki, Jan Grzegorz; Ramkumar, Venkatachalam","Efficient and versatile catalysis of N-alkylation of heterocyclic amines with alcohols and one-pot synthesis of 2-aryl substituted benzazoles with newly designed ruthenium(ii) complexes of PNS thiosemicarbazones.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7889","7902","10.1039/c4dt00006d","","","0.71073","MoKα","","0.0472","0.0353","","","0.0815","0.0859","","","","","","1.06","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029672","14.3388","0.0008","16.6137","0.0006","15.0818","0.0008","90","","96.268","0.004","90","","3571.3","0.3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Cl N3 O P2 Ru S -","- C40 H34 Cl N3 O P2 Ru S -","- C160 H136 Cl4 N12 O4 P8 Ru4 S4 -","4","1","","Ramachandran, Rangasamy; Prakash, Govindan; Selvamurugan, Sellappan; Viswanathamurthi, Periasamy; Malecki, Jan Grzegorz; Ramkumar, Venkatachalam","Efficient and versatile catalysis of N-alkylation of heterocyclic amines with alcohols and one-pot synthesis of 2-aryl substituted benzazoles with newly designed ruthenium(ii) complexes of PNS thiosemicarbazones.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7889","7902","10.1039/c4dt00006d","","","0.71073","MoKα","","0.0932","0.056","","","0.1014","0.1116","","","","","","0.994","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029673","10.2991","0.0008","13.1254","0.0011","15.2952","0.0013","97.686","0.007","94.38","0.007","96.521","0.007","2026.9","0.3","295","0.2","295","0.2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H36 As Cl N3 O P Ru S -","- C45 H36 As Cl N3 O P Ru S -","- C90 H72 As2 Cl2 N6 O2 P2 Ru2 S2 -","2","1","","Ramachandran, Rangasamy; Prakash, Govindan; Selvamurugan, Sellappan; Viswanathamurthi, Periasamy; Malecki, Jan Grzegorz; Ramkumar, Venkatachalam","Efficient and versatile catalysis of N-alkylation of heterocyclic amines with alcohols and one-pot synthesis of 2-aryl substituted benzazoles with newly designed ruthenium(ii) complexes of PNS thiosemicarbazones.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7889","7902","10.1039/c4dt00006d","","","0.71073","MoKα","","0.0764","0.0565","","","0.1144","0.1218","","","","","","1.07","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029674","16.1641","0.0004","10.6262","0.0002","19.1733","0.0004","90","","112.801","0.002","90","","3035.92","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 B F3 O3 P2 Rh -","- C26 H47 B F3 O3 P2 Rh -","- C104 H188 B4 F12 O12 P8 Rh4 -","4","1","","Kalläne, Sabrina I; Braun, Thomas; Braun, Beatrice; Mebs, Stefan","Versatile reactivity of a rhodium(i) boryl complex towards ketones and imines.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6786","6801","10.1039/c4dt00080c","","","0.71073","MoKα","","0.0301","0.0211","","","0.0464","0.0471","","","","","","0.838","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029675","10.424","0.0005","29.0136","0.0013","13.0004","0.0006","90","","124.428","0.003","90","","3243.1","0.3","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H47 B F3 O5 P2 Rh -","- C28 H47 B F3 O5 P2 Rh -","- C112 H188 B4 F12 O20 P8 Rh4 -","4","1","","Kalläne, Sabrina I; Braun, Thomas; Braun, Beatrice; Mebs, Stefan","Versatile reactivity of a rhodium(i) boryl complex towards ketones and imines.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6786","6801","10.1039/c4dt00080c","","","0.71073","MoKα","","0.0679","0.0479","","","0.1021","0.1089","","","","","","1.017","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029676","24.5391","0.0005","10.0402","0.0002","13.0353","0.0003","90","","90","","90","","3211.6","0.12","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H50 B O3 P2 Rh -","- C31 H50 B O3 P2 Rh -","- C124 H200 B4 O12 P8 Rh4 -","4","1","","Kalläne, Sabrina I; Braun, Thomas; Braun, Beatrice; Mebs, Stefan","Versatile reactivity of a rhodium(i) boryl complex towards ketones and imines.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6786","6801","10.1039/c4dt00080c","","","0.71073","MoKα","","0.0424","0.0307","","","0.0611","0.063","","","","","","0.836","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029677","19.0638","0.0003","20.0967","0.0004","20.5505","0.0004","90","","107.636","0.001","90","","7503.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H57 B N O2 P2 Rh -","- C37 H57 B N O2 P2 Rh -","- C296 H456 B8 N8 O16 P16 Rh8 -","8","2","","Kalläne, Sabrina I; Braun, Thomas; Braun, Beatrice; Mebs, Stefan","Versatile reactivity of a rhodium(i) boryl complex towards ketones and imines.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6786","6801","10.1039/c4dt00080c","","","0.71073","MoKα","","0.0501","0.0352","","","0.0808","0.085","","","","","","1.039","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029678","15.1541","0.0005","13.2907","0.0005","18.0052","0.0006","90","","95.441","0.002","90","","3610.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H55 B N O2 P2 Rh -","- C37 H55 B N O2 P2 Rh -","- C148 H220 B4 N4 O8 P8 Rh4 -","4","1","","Kalläne, Sabrina I; Braun, Thomas; Braun, Beatrice; Mebs, Stefan","Versatile reactivity of a rhodium(i) boryl complex towards ketones and imines.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6786","6801","10.1039/c4dt00080c","","","0.71073","MoKα","","0.084","0.0462","","","0.07","0.0777","","","","","","0.943","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029679","42.3611","0.0015","10.5311","0.0002","23.6156","0.0008","90","","120.338","0.003","90","","9092.5","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H75 B N O2 P3 Rh -","- C40 H75 B N O2 P3 Rh -","- C320 H600 B8 N8 O16 P24 Rh8 -","8","1","","Kalläne, Sabrina I; Braun, Thomas; Braun, Beatrice; Mebs, Stefan","Versatile reactivity of a rhodium(i) boryl complex towards ketones and imines.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6786","6801","10.1039/c4dt00080c","","","0.71073","MoKα","","0.0692","0.0567","","","0.1529","0.163","","","","","","1.059","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029680","8.2142","0.0016","8.353","0.002","19.855","0.004","87.724","0.009","83.926","0.013","88.701","0.013","1353.4","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Fe0.61 N12 Se2 Zn0.39 -","- C24 H18 Fe0.608 N12 Se2 Zn0.392 -","- C48 H36 Fe1.216 N24 Se4 Zn0.784 -","2","1","","Baldé, Chérif; Desplanches, Cédric; Le Gac, Fréderic; Guionneau, Philippe; Létard, Jean-François","The role of iron(ii) dilution in the magnetic and photomagnetic properties of the series [FexZn1-x(bpp)2](NCSe)2.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7820","7829","10.1039/c3dt52964a","","","0.71073","MoKα","","0.0913","0.0515","","","0.085","0.1002","","","","","","1.121","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029681","8.368","0.001","8.426","0.002","19.889","0.005","87.024","0.008","83.163","0.006","88.898","0.009","1390.4","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Fe0.56 N12 Se2 Zn0.44 -","- C24 H18 Fe0.559 N12 Se2 Zn0.441 -","- C48 H36 Fe1.118 N24 Se4 Zn0.882 -","2","1","","Baldé, Chérif; Desplanches, Cédric; Le Gac, Fréderic; Guionneau, Philippe; Létard, Jean-François","The role of iron(ii) dilution in the magnetic and photomagnetic properties of the series [FexZn1-x(bpp)2](NCSe)2.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7820","7829","10.1039/c3dt52964a","","","0.71073","MoKα","","0.1029","0.0526","","","0.0834","0.0993","","","","","","1.071","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029682","11.226","0.004","11.865","0.004","12.792","0.005","88.05","0.009","79.235","0.009","68.272","0.008","1553.8","1","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C32 H60 Cl5 Cu6 N8 Na O42 -","- C32 H60 Cl5 Cu6 N8 Na O42 -","- C32 H60 Cl5 Cu6 N8 Na O42 -","1","0.5","","Ghattas, Wadih; Ricoux, Rémy; Korri-Youssoufi, Hafsa; Guillot, Régis; Rivière, Eric; Mahy, Jean-Pierre","A unique 1-amino-1-cyclopropane carboxylate cupric-cryptate hosting sodium.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7708","7711","10.1039/c4dt00500g","","x-ray","0.71073","MoKα","","0.1135","0.0854","","","0.2116","0.2526","","","","","","1.036","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029683","4.517","0.0006","12.3513","0.0015","11.1973","0.0013","90","","96.199","0.002","90","","621.05","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Ag N2 -","- C7 H5 Ag N2 -","- C28 H20 Ag4 N8 -","4","1","","Lu, Xinyi; Ye, Junwei; Sun, Yuan; Bogale, Raji Feyisa; Zhao, Limei; Tian, Peng; Ning, Guiling","Ligand effects on the structural dimensionality and antibacterial activities of silver-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10104","10113","10.1039/c4dt00270a","","","0.71073","MoKα","","0.0173","0.0166","","","0.0427","0.0431","","","","","","1.106","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029684","13.9448","0.0007","5.4968","0.0003","19.9779","0.0009","90","","96.892","0.003","90","","1520.28","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 Ag2 N3 O6 -","- C15 H9 Ag2 N3 O6 -","- C60 H36 Ag8 N12 O24 -","4","1","","Lu, Xinyi; Ye, Junwei; Sun, Yuan; Bogale, Raji Feyisa; Zhao, Limei; Tian, Peng; Ning, Guiling","Ligand effects on the structural dimensionality and antibacterial activities of silver-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10104","10113","10.1039/c4dt00270a","","","0.71073","MoKα","","0.0237","0.0211","","","0.0522","0.0537","","","","","","1.04","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029685","14.4128","0.0005","17.2474","0.0005","14.1954","0.0005","90","","94.508","0.002","90","","3517.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H19 Ag6 N9 O6 -","- C36 H19 Ag6 N9 O6 -","- C144 H76 Ag24 N36 O24 -","4","1","","Lu, Xinyi; Ye, Junwei; Sun, Yuan; Bogale, Raji Feyisa; Zhao, Limei; Tian, Peng; Ning, Guiling","Ligand effects on the structural dimensionality and antibacterial activities of silver-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10104","10113","10.1039/c4dt00270a","","","0.71073","MoKα","","0.0906","0.0554","","","0.1532","0.1743","","","","","","1.057","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7029686","12.526","0.002","7.8162","0.0014","28.984","0.005","90","","96.117","0.002","90","","2821.5","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Ag2 N2 O7 -","- C13 H9 Ag2 N2 O7 -","- C104 H72 Ag16 N16 O56 -","8","1","","Lu, Xinyi; Ye, Junwei; Sun, Yuan; Bogale, Raji Feyisa; Zhao, Limei; Tian, Peng; Ning, Guiling","Ligand effects on the structural dimensionality and antibacterial activities of silver-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10104","10113","10.1039/c4dt00270a","","","0.71073","MoKα","","0.0291","0.0256","","","0.0697","0.0735","","","","","","0.557","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029687","17.946","0.004","9.2015","0.0018","28.165","0.006","90","","95.87","0.03","90","","4626.5","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H62 N4 O5 V -","- C48 H62 N4 O5 V -","- C192 H248 N16 O20 V4 -","4","1","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark J.; Wright, Joseph A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Xing, Qifeng; Sun, Wen-Hua; Redshaw, Carl","Vanadyl complexes bearing bi-dentate phenoxyimine ligands: synthesis, structural studies and ethylene polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8300","8310","10.1039/c4dt00021h","","","0.71073","MoKα","","","0.083","","","0.2311","0.274","","","","","","1.218","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029688","15.165","0.003","18.182","0.004","19.034","0.004","66.33","0.03","67.4","0.03","83.36","0.03","4433","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 N2 O5 V -","- C44 H56 N2 O5 V -","- C176 H224 N8 O20 V4 -","4","2","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark J.; Wright, Joseph A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Xing, Qifeng; Sun, Wen-Hua; Redshaw, Carl","Vanadyl complexes bearing bi-dentate phenoxyimine ligands: synthesis, structural studies and ethylene polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8300","8310","10.1039/c4dt00021h","","","0.71073","MoKα","","","0.0661","","","0.171","0.1833","","","","","","1.069","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029689","10.979","0.002","13.256","0.003","15.575","0.003","101.47","0.03","91.71","0.03","92.44","0.03","2217.8","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H62 N4 O5 V -","- C48 H62 N4 O5 V -","- C96 H124 N8 O10 V2 -","2","1","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark J.; Wright, Joseph A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Xing, Qifeng; Sun, Wen-Hua; Redshaw, Carl","Vanadyl complexes bearing bi-dentate phenoxyimine ligands: synthesis, structural studies and ethylene polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8300","8310","10.1039/c4dt00021h","","","0.71073","MoKα","","","0.0642","","","0.1839","0.2105","","","","","","1.04","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029690","13.997","0.003","18.58","0.004","17.898","0.004","90","","104.38","0.03","90","","4508.8","1.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 N2 O5 V -","- C46 H60 N2 O5 V -","- C184 H240 N8 O20 V4 -","4","1","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark J.; Wright, Joseph A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Xing, Qifeng; Sun, Wen-Hua; Redshaw, Carl","Vanadyl complexes bearing bi-dentate phenoxyimine ligands: synthesis, structural studies and ethylene polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8300","8310","10.1039/c4dt00021h","","","0.71073","MoKα","","","0.0857","","","0.2459","0.2769","","","","","","1.222","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029691","14.096","0.003","15.274","0.003","24.527","0.005","87.65","0.03","75.73","0.03","64.15","0.03","4592","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 F6 N2 O5 V -","- C44 H50 F6 N2 O5 V -","- C176 H200 F24 N8 O20 V4 -","4","2","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark J.; Wright, Joseph A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Xing, Qifeng; Sun, Wen-Hua; Redshaw, Carl","Vanadyl complexes bearing bi-dentate phenoxyimine ligands: synthesis, structural studies and ethylene polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8300","8310","10.1039/c4dt00021h","","","0.71073","MoKα","","","0.1081","","","0.303","0.3372","","","","","","1.111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029692","11.896","0.002","14.224","0.003","15.568","0.003","108.49","0.03","90.94","0.03","109.43","0.03","2334","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H60 N2 O5 V -","- C54 H60 N2 O5 V -","- C108 H120 N4 O10 V2 -","2","1","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark J.; Wright, Joseph A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Xing, Qifeng; Sun, Wen-Hua; Redshaw, Carl","Vanadyl complexes bearing bi-dentate phenoxyimine ligands: synthesis, structural studies and ethylene polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8300","8310","10.1039/c4dt00021h","","","0.71073","MoKα","","","0.059","","","0.1911","0.2345","","","","","","1.023","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029693","15.3075","0.0016","18.0329","0.0018","20.191","0.002","76.0289","0.0015","81.7168","0.0015","78.9101","0.0015","5279.7","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H64.5 N3.5 O5 V -","- C57 H64.5 N3.5 O5 V -","- C228 H258 N14 O20 V4 -","4","2","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark J.; Wright, Joseph A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Xing, Qifeng; Sun, Wen-Hua; Redshaw, Carl","Vanadyl complexes bearing bi-dentate phenoxyimine ligands: synthesis, structural studies and ethylene polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8300","8310","10.1039/c4dt00021h","","","0.71073","MoKα","","0.0973","0.0486","","","0.1048","0.1304","","","","","","1.044","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7029694","13.457","0.003","15.049","0.003","16.071","0.003","70.73","0.03","68.07","0.03","79.53","0.03","2843.6","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 N2 O5 V -","- C72 H68 N2 O5 V -","- C144 H136 N4 O10 V2 -","2","1","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark J.; Wright, Joseph A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Xing, Qifeng; Sun, Wen-Hua; Redshaw, Carl","Vanadyl complexes bearing bi-dentate phenoxyimine ligands: synthesis, structural studies and ethylene polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8300","8310","10.1039/c4dt00021h","","","0.71073","MoKα","","","0.0731","","","0.218","0.259","","","","","","0.984","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029695","12.286","0.003","13.19","0.003","19.728","0.004","70.8","0.03","74.35","0.03","87.75","0.03","2902.9","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H60 N2 O5 V -","- C70 H60 N2 O5 V -","- C140 H120 N4 O10 V2 -","2","1","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark J.; Wright, Joseph A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Xing, Qifeng; Sun, Wen-Hua; Redshaw, Carl","Vanadyl complexes bearing bi-dentate phenoxyimine ligands: synthesis, structural studies and ethylene polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8300","8310","10.1039/c4dt00021h","","","0.71073","MoKα","","","0.0782","","","0.2248","0.2527","","","","","","1.092","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029696","11.9699","0.0005","15.6408","0.0006","13.9536","0.0005","90","","99.3405","0.0006","90","","2577.74","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 N2 O8 V2 -","- C54 H60 N2 O8 V2 -","- C108 H120 N4 O16 V4 -","2","0.5","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark J.; Wright, Joseph A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Xing, Qifeng; Sun, Wen-Hua; Redshaw, Carl","Vanadyl complexes bearing bi-dentate phenoxyimine ligands: synthesis, structural studies and ethylene polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8300","8310","10.1039/c4dt00021h","","","0.71073","MoKα","","0.0506","0.0378","","","0.0986","0.1069","","","","","","1.024","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029697","13.547","0.003","13.98","0.003","21.04","0.004","105.21","0.03","90.24","0.03","117.26","0.03","3382","1.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H84 N6 O8 V2 -","- C73 H84 N6 O8 V2 -","- C146 H168 N12 O16 V4 -","2","1","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark J.; Wright, Joseph A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Xing, Qifeng; Sun, Wen-Hua; Redshaw, Carl","Vanadyl complexes bearing bi-dentate phenoxyimine ligands: synthesis, structural studies and ethylene polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8300","8310","10.1039/c4dt00021h","","","0.71073","MoKα","","","0.1386","","","0.3266","0.3335","","","","","","1.11","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029698","9.83","0.002","13.423","0.003","21.429","0.004","92.36","0.03","100.78","0.03","98.46","0.03","2740.5","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H64 N2 O8 V2 -","- C63 H64 N2 O8 V2 -","- C126 H128 N4 O16 V4 -","2","1","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark J.; Wright, Joseph A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Xing, Qifeng; Sun, Wen-Hua; Redshaw, Carl","Vanadyl complexes bearing bi-dentate phenoxyimine ligands: synthesis, structural studies and ethylene polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8300","8310","10.1039/c4dt00021h","","","0.71073","MoKα","","","0.0894","","","0.2367","0.284","","","","","","1.228","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029699","10.169","0.002","12.96","0.003","20.218","0.004","71.25","0.03","71.42","0.03","74.94","0.03","2354.6","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H56 N2 O8 V2 -","- C51 H56 N2 O8 V2 -","- C102 H112 N4 O16 V4 -","2","1","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark J.; Wright, Joseph A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Xing, Qifeng; Sun, Wen-Hua; Redshaw, Carl","Vanadyl complexes bearing bi-dentate phenoxyimine ligands: synthesis, structural studies and ethylene polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8300","8310","10.1039/c4dt00021h","","","0.71073","MoKα","","","0.0464","","","0.1112","0.1164","","","","","","1.072","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029700","11.059","0.005","12.347","0.005","15.178","0.005","102.834","0.005","109.562","0.005","105.878","0.005","1762.2","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H92 Cu4 N16 Nb8 O42 Ti2 -","- C16 H32 Cu4 N16 Nb8 O43 Ti2 -","- C16 H32 Cu4 N16 Nb8 O43 Ti2 -","1","0.5","","Zhang, Yu-Teng; Huang, Peng; Qin, Chao; Yan, Li-Kai; Song, Bai-Qiao; Yang, Zhao-Xia; Shao, Kui-Zhan; Su, Zhong-Min","A novel organic-inorganic hybrid constructed from the Nyman-type dititanoniobate [Ti2Nb8O28](8-) and copper-organic cations.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9847","9850","10.1039/c4dt00507d","","","0.71069","MoKα","","0.0473","0.0422","","","0.1358","0.1422","","","","","","1.003","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029701","13.428","0.0007","20.4076","0.001","21.3571","0.001","90","","90","","90","","5852.6","0.5","117","2","117","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(DIPP-nacnac-N)2Mg2(H3BNHDIPP)H.(THF)","","","- C55 H81 B Mg2 N6 O -","- C55 H81 B Mg2 N6 O -","- C220 H324 B4 Mg8 N24 O4 -","4","1","","Harder, Sjoerd; Spielmann, Jan; Intemann, Julia","Synthesis and thermal decomposition of a pyridylene-bridged bis-β-diketiminate magnesium hydride cluster.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14284","14290","10.1039/c4dt00835a","","","0.71073","MoKα","","0.0601","0.048","","","0.1204","0.126","","","","","","1.064","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029702","14.5633","0.001","15.0972","0.001","20.1383","0.0012","88.321","0.002","71.161","0.002","68.872","0.002","3889.7","0.4","103","2","103","2","","","","","","","","5","P -1","-P 1","2","(PYR)-Mg2(DIPPNHBH3)2.(C6H6)3.5","","","- C84 H114 B2 Mg2 N7 -","- C84 H114 B2 Mg2 N7 -","- C168 H228 B4 Mg4 N14 -","2","1","","Harder, Sjoerd; Spielmann, Jan; Intemann, Julia","Synthesis and thermal decomposition of a pyridylene-bridged bis-β-diketiminate magnesium hydride cluster.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14284","14290","10.1039/c4dt00835a","","","0.71073","MoKα","","0.0551","0.0401","","","0.0956","0.1043","","","","","","1.026","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029703","24.0463","0.0016","15.4013","0.001","22.4206","0.0015","90","","103.909","0.004","90","","8059.9","0.9","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[(PYR-nacnac)(MgH)2]2","","","- C78 H106 Mg4 N10 -","- C78 H106 Mg4 N10 -","- C312 H424 Mg16 N40 -","4","1","","Harder, Sjoerd; Spielmann, Jan; Intemann, Julia","Synthesis and thermal decomposition of a pyridylene-bridged bis-β-diketiminate magnesium hydride cluster.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14284","14290","10.1039/c4dt00835a","","","0.71073","MoKα","","0.1025","0.0487","","","0.103","0.1165","","","","","","0.943","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029704","22.578","0.005","13.985","0.003","23.894","0.005","90","","104.69","0.005","90","","7298","3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H114 Li2 N5 O2 Sm -","- C75 H114 Li2 N5 O2 Sm -","- C300 H456 Li8 N20 O8 Sm4 -","4","1","","Liu, Chengwei; Qian, Qinqin; Nie, Kun; Wang, Yaorong; Shen, Qi; Yuan, Dan; Yao, Yingming","Lanthanide anilido complexes: synthesis, characterization, and use as highly efficient catalysts for hydrophosphonylation of aldehydes and unactivated ketones.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8355","8362","10.1039/c4dt00522h","","","0.71075","MoKα","","0.122","0.0767","","","0.1893","0.246","","","","","","1.108","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029705","22.608","0.005","13.933","0.003","23.885","0.006","90","","104.512","0.005","90","","7284","3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H114 Li2 N5 Nd O2 -","- C75 H114 Li2 N5 Nd O2 -","- C300 H456 Li8 N20 Nd4 O8 -","4","1","","Liu, Chengwei; Qian, Qinqin; Nie, Kun; Wang, Yaorong; Shen, Qi; Yuan, Dan; Yao, Yingming","Lanthanide anilido complexes: synthesis, characterization, and use as highly efficient catalysts for hydrophosphonylation of aldehydes and unactivated ketones.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8355","8362","10.1039/c4dt00522h","","","0.71075","MoKα","","0.1542","0.1026","","","0.2371","0.2899","","","","","","1.142","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029706","22.679","0.003","13.8391","0.0015","23.853","0.003","90","","105.716","0.003","90","","7206.6","1.5","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H114 Li2 N5 O2 Y -","- C75 H114 Li2 N5 O2 Y -","- C300 H456 Li8 N20 O8 Y4 -","4","1","","Liu, Chengwei; Qian, Qinqin; Nie, Kun; Wang, Yaorong; Shen, Qi; Yuan, Dan; Yao, Yingming","Lanthanide anilido complexes: synthesis, characterization, and use as highly efficient catalysts for hydrophosphonylation of aldehydes and unactivated ketones.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8355","8362","10.1039/c4dt00522h","","","0.71075","MoKα","","0.162","0.1114","","","0.2725","0.3152","","","","","","1.089","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029707","11.7516","0.0003","9.32888","0.00017","24.4431","0.0005","90","","97.0009","0.0007","90","","2659.7","0.1","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H40 Ge4 -","- C56 H40 Ge4 -","- C112 H80 Ge8 -","2","0.5","","Tanimoto, Hiroki; Nagao, Tomohiko; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Iseda, Fumiyasu; Nagato, Yuko; Suzuka, Toshimasa; Tsutsumi, Ken; Kakiuchi, Kiyomi","Synthesis and characterization of germa[n]pericyclynes.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8338","8343","10.1039/c4dt00574k","","","0.71075","MoKα","","","0.0379","","","","0.1088","","","","","","1.17","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029708","17.44","0.0004","18.7148","0.0004","24.908","0.0005","90","","100.029","0.0007","90","","8005.4","0.3","213","","213","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C86 H64 Cl2 Ge6 -","- C86 H64 Cl2 Ge6 -","- C344 H256 Cl8 Ge24 -","4","1","","Tanimoto, Hiroki; Nagao, Tomohiko; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Iseda, Fumiyasu; Nagato, Yuko; Suzuka, Toshimasa; Tsutsumi, Ken; Kakiuchi, Kiyomi","Synthesis and characterization of germa[n]pericyclynes.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8338","8343","10.1039/c4dt00574k","","","0.71075","MoKα","","","0.0625","","","","0.2211","","","","","","1.11","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029709","16.366","0.0003","14.3633","0.0003","19.9317","0.0004","90","","100.958","0.0007","90","","4599.92","0.16","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C112 H80 Ge8 -","- C112 H80 Ge8 -","- C224 H160 Ge16 -","2","0.5","","Tanimoto, Hiroki; Nagao, Tomohiko; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Iseda, Fumiyasu; Nagato, Yuko; Suzuka, Toshimasa; Tsutsumi, Ken; Kakiuchi, Kiyomi","Synthesis and characterization of germa[n]pericyclynes.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8338","8343","10.1039/c4dt00574k","","","0.71075","MoKα","","","0.0363","","","","0.0918","","","","","","1.048","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029710","15.0886","0.0003","15.0886","0.0003","24.5251","0.0005","90","","90","","120","","4835.48","0.17","123","","123","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C48 H84 Ge6 -","- C48 H84 Ge6 -","- C144 H252 Ge18 -","3","0.166667","","Tanimoto, Hiroki; Nagao, Tomohiko; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Iseda, Fumiyasu; Nagato, Yuko; Suzuka, Toshimasa; Tsutsumi, Ken; Kakiuchi, Kiyomi","Synthesis and characterization of germa[n]pericyclynes.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8338","8343","10.1039/c4dt00574k","","","0.71075","MoKα","","","0.032","","","","0.0934","","","","","","1.326","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029711","8.55539","0.00015","14.2704","0.0003","15.3238","0.0003","79.1007","0.0007","86.4883","0.0007","80.1363","0.0007","1809.15","0.06","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C64 H112 Ge8 -","- C64 H112 Ge8 -","- C64 H112 Ge8 -","1","0.5","","Tanimoto, Hiroki; Nagao, Tomohiko; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Iseda, Fumiyasu; Nagato, Yuko; Suzuka, Toshimasa; Tsutsumi, Ken; Kakiuchi, Kiyomi","Synthesis and characterization of germa[n]pericyclynes.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8338","8343","10.1039/c4dt00574k","","","0.71075","MoKα","","","0.0224","","","","0.0573","","","","","","1.175","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029712","8.902","0.002","11.887","0.003","14.757","0.004","90","","90","","90","","1561.6","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 O5 Zn -","- C14 H14 N4 O5 Zn -","- C56 H56 N16 O20 Zn4 -","4","1","","Zheng, Xiaofang; Huang, Yumei; Duan, Jingui; Wang, Chenggang; Wen, Lili; Zhao, Jinbo; Li, Dongfeng","A microporous Zn(ii)-MOF with open metal sites: structure and selective adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8311","8317","10.1039/c4dt00307a","","","0.71073","MoKα","","0.0266","0.0234","","","0.0677","0.0851","","","","","","1.235","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029713","9.413","0.0019","16.606","0.003","25.818","0.005","90","","91.83","0.03","90","","4033.6","1.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 Fe N2 P4 -","- C39 H46 Fe N2 P4 -","- C156 H184 Fe4 N8 P16 -","4","1","","Zhu, Gengyu; Li, Xiaoyan; Xu, Guoqiang; Wang, Lin; Sun, Hongjian","A new PC(sp(3))P ligand and its coordination chemistry with low-valent iron, cobalt and nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8595","8598","10.1039/c4dt00639a","","","0.71073","MoKα","","0.0945","0.0814","","","0.2436","0.2548","","","","","","1.113","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029714","19.838","0.006","10.326","0.003","18.271","0.005","90","","99.722","0.005","90","","3689","1.8","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 Co N2 P4 -","- C39 H46 Co N2 P4 -","- C156 H184 Co4 N8 P16 -","4","1","","Zhu, Gengyu; Li, Xiaoyan; Xu, Guoqiang; Wang, Lin; Sun, Hongjian","A new PC(sp(3))P ligand and its coordination chemistry with low-valent iron, cobalt and nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8595","8598","10.1039/c4dt00639a","","","0.71073","MoKα","","0.0927","0.057","","","0.1365","0.1597","","","","","","1.058","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029715","19.854","0.004","10.268","0.002","17.816","0.004","90","","99.49","0.03","90","","3582.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 Co N2 P4 -","- C39 H45 Co N2 P4 -","- C156 H180 Co4 N8 P16 -","4","1","","Zhu, Gengyu; Li, Xiaoyan; Xu, Guoqiang; Wang, Lin; Sun, Hongjian","A new PC(sp(3))P ligand and its coordination chemistry with low-valent iron, cobalt and nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8595","8598","10.1039/c4dt00639a","","","0.71073","MoKα","","0.0548","0.0381","","","0.0878","0.097","","","","","","1.013","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029716","19.893","0.008","10.313","0.004","18.369","0.008","90","","99.993","0.007","90","","3711","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 N2 Ni P4 -","- C39 H46 N2 Ni P4 -","- C156 H184 N8 Ni4 P16 -","4","1","","Zhu, Gengyu; Li, Xiaoyan; Xu, Guoqiang; Wang, Lin; Sun, Hongjian","A new PC(sp(3))P ligand and its coordination chemistry with low-valent iron, cobalt and nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8595","8598","10.1039/c4dt00639a","","","0.71073","MoKα","","0.077","0.0435","","","0.0946","0.1107","","","","","","0.988","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029717","4.7776","0.0003","11.4357","0.0009","25.3031","0.0015","90","","90.326","0.001","90","","1382.42","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis(quinolyl)mercury (II)(Linear)","","","- C18 H12 Hg N2 -","- C18 H12 Hg N2 -","- C72 H48 Hg4 N8 -","4","1","","Tamang, Sem Raj; Son, Jung-Ho; Hoefelmeyer, James D","Preparation of RHgCl via transmetalation of (8-quinolyl)SnMe3 and redistribution to R2Hg (R = 8-quinolyl): a highly distorted diorganomercury(ii) with 84 degree C-Hg-C angle.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7139","7145","10.1039/c4dt00384e","","","0.71073","MoKα","","0.0387","0.0246","","","0.0433","0.0472","","","","","","1.016","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029718","14.1731","0.0017","6.2064","0.0008","10.469","0.002","90","","131.008","0.001","90","","694.92","0.18","100","2","100","0","","","","","","","","4","C 1 2 1","C 2y","5","Bis(quinolyl)mercury (II)(Bent)","","","- C18 H12 Hg N2 -","- C18 H12 Hg N2 -","- C36 H24 Hg2 N4 -","2","0.5","","Tamang, Sem Raj; Son, Jung-Ho; Hoefelmeyer, James D","Preparation of RHgCl via transmetalation of (8-quinolyl)SnMe3 and redistribution to R2Hg (R = 8-quinolyl): a highly distorted diorganomercury(ii) with 84 degree C-Hg-C angle.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7139","7145","10.1039/c4dt00384e","","","0.71073","MoKα","","0.018","0.018","","","0.0461","0.0461","","","","","","1.087","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029719","6.86","0.003","8.202","0.004","9.116","0.004","107.127","0.005","110.701","0.005","94.266","0.005","449.3","0.4","100","0","100","2","","","","","","","","5","P -1","-P 1","2","[Bis(quinolinium)mercury(II)][thiocyanate]","","","- C20 H14 Hg N4 S2 -","- C20 H14 Hg N4 S2 -","- C20 H14 Hg N4 S2 -","1","0.5","","Tamang, Sem Raj; Son, Jung-Ho; Hoefelmeyer, James D","Preparation of RHgCl via transmetalation of (8-quinolyl)SnMe3 and redistribution to R2Hg (R = 8-quinolyl): a highly distorted diorganomercury(ii) with 84 degree C-Hg-C angle.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7139","7145","10.1039/c4dt00384e","","","0.71073","MoKα","","0.0495","0.0495","","","0.1298","0.1298","","","","","","1.094","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029720","10.133","0.005","4.048","0.005","21.799","0.005","90","0.005","91.253","0.005","90","0.005","893.9","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Chloro-8-quinolylmercury(II)","","","- C9 H6 Cl Hg N -","- C9 H6 Cl Hg N -","- C36 H24 Cl4 Hg4 N4 -","4","1","","Tamang, Sem Raj; Son, Jung-Ho; Hoefelmeyer, James D","Preparation of RHgCl via transmetalation of (8-quinolyl)SnMe3 and redistribution to R2Hg (R = 8-quinolyl): a highly distorted diorganomercury(ii) with 84 degree C-Hg-C angle.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7139","7145","10.1039/c4dt00384e","","","0.71073","MoKα","","0.0295","0.0255","","","0.0624","0.065","","","","","","1.059","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029721","26.34","0.006","16.51","0.004","10.564","0.003","90","","90","","90","","4594","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H50 Cl6 Fe N3 O14 -","- C36 H48 Cl6 Fe N3 O14 -","- C144 H192 Cl24 Fe4 N12 O56 -","4","0.5","","Atzori, Matteo; Artizzu, Flavia; Sessini, Elisa; Marchiò, Luciano; Loche, Danilo; Serpe, Angela; Deplano, Paola; Concas, Giorgio; Pop, Flavia; Avarvari, Narcis; Laura Mercuri, Maria","Halogen-bonding in a new family of tris(haloanilato)metallate(iii) magnetic molecular building blocks.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7006","7019","10.1039/c4dt00127c","","","0.71073","MoKα","","0.0784","0.0572","","","0.1562","0.1735","","","","","","1.02","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029722","16.154","0.003","10.575","0.002","26.682","0.004","90","","92.092","0.003","90","","4555","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 Cl6 Cr N3 O13 -","- C36 H48 Cl6 Cr N3 O13 -","- C144 H192 Cl24 Cr4 N12 O52 -","4","1","","Atzori, Matteo; Artizzu, Flavia; Sessini, Elisa; Marchiò, Luciano; Loche, Danilo; Serpe, Angela; Deplano, Paola; Concas, Giorgio; Pop, Flavia; Avarvari, Narcis; Laura Mercuri, Maria","Halogen-bonding in a new family of tris(haloanilato)metallate(iii) magnetic molecular building blocks.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7006","7019","10.1039/c4dt00127c","","","0.71073","MoKα","","0.2011","0.0834","","","0.1515","0.1743","","","","","","1.007","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029723","24.339","0.001","20.262","0.001","32.155","0.002","90","","90","","90","","15857.5","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H108 Cr I6 N3 O12 -","- C66 H108 Cr I6 N3 O12 -","- C528 H864 Cr8 I48 N24 O96 -","8","1","","Atzori, Matteo; Artizzu, Flavia; Sessini, Elisa; Marchiò, Luciano; Loche, Danilo; Serpe, Angela; Deplano, Paola; Concas, Giorgio; Pop, Flavia; Avarvari, Narcis; Laura Mercuri, Maria","Halogen-bonding in a new family of tris(haloanilato)metallate(iii) magnetic molecular building blocks.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7006","7019","10.1039/c4dt00127c","","","0.71073","MoKα","","0.1069","0.057","","","0.1206","0.1416","","","","","","1.064","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029724","35.023","0.005","12.482","0.002","46.347","0.007","90","","114.467","0.002","90","","18441","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H68 Fe I6 O16 P3 -","- C90 H60 Fe I6 O16 P3 -","- C720 H480 Fe8 I48 O128 P24 -","8","1","","Atzori, Matteo; Artizzu, Flavia; Sessini, Elisa; Marchiò, Luciano; Loche, Danilo; Serpe, Angela; Deplano, Paola; Concas, Giorgio; Pop, Flavia; Avarvari, Narcis; Laura Mercuri, Maria","Halogen-bonding in a new family of tris(haloanilato)metallate(iii) magnetic molecular building blocks.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7006","7019","10.1039/c4dt00127c","","","0.71073","MoKα","","0.1688","0.0894","","","0.1518","0.1792","","","","","","1.042","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029725","10.6538","0.001","10.6835","0.0007","33.496","0.003","90","","97.266","0.012","90","","3781.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 N P -","- C46 H54 N P -","- C184 H216 N4 P4 -","4","1","","Hangaly, Noa K; Petrov, Alexander R; Elfferding, Michael; Harms, Klaus; Sundermeyer, Jörg","Tetrahydropentalenyl-phosphazene constrained geometry complexes of rare-earth metal alkyls.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7109","7120","10.1039/c3dt53596g","","","0.71069","MoKα","","0.0967","0.0582","","","0.1435","0.1613","","","","","","0.832","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029726","9.3612","0.0007","23.389","0.002","14.744","0.0011","90","","96.201","0.006","90","","3209.3","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N P -","- C36 H44 N P -","- C144 H176 N4 P4 -","4","1","","Hangaly, Noa K; Petrov, Alexander R; Elfferding, Michael; Harms, Klaus; Sundermeyer, Jörg","Tetrahydropentalenyl-phosphazene constrained geometry complexes of rare-earth metal alkyls.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7109","7120","10.1039/c3dt53596g","","","0.71073","MoKα","","0.0999","0.0415","","","0.071","0.0824","","","","","","0.805","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029727","12.2478","0.0007","12.4919","0.0007","15.8094","0.0008","82.808","0.004","87.696","0.004","84.852","0.004","2389.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H75 N P Sc Si2 -","- C47 H75 N P Sc Si2 -","- C94 H150 N2 P2 Sc2 Si4 -","2","1","","Hangaly, Noa K; Petrov, Alexander R; Elfferding, Michael; Harms, Klaus; Sundermeyer, Jörg","Tetrahydropentalenyl-phosphazene constrained geometry complexes of rare-earth metal alkyls.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7109","7120","10.1039/c3dt53596g","","","0.71073","MoKα","","0.083","0.0475","","","0.1196","0.1288","","","","","","0.843","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029728","10.8236","0.0008","12.8149","0.0009","17.0962","0.0013","93.599","0.009","103.167","0.008","91.998","0.008","2301.5","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H69 Lu N P Si2 -","- C48 H69 Lu N P Si2 -","- C96 H138 Lu2 N2 P2 Si4 -","2","1","","Hangaly, Noa K; Petrov, Alexander R; Elfferding, Michael; Harms, Klaus; Sundermeyer, Jörg","Tetrahydropentalenyl-phosphazene constrained geometry complexes of rare-earth metal alkyls.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7109","7120","10.1039/c3dt53596g","","","0.71073","MoKα","","0.0233","0.0177","","","0.0351","0.0356","","","","","","0.909","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029729","10.71","0.0003","12.8173","0.0003","17.5301","0.0005","94.506","0.002","104.052","0.002","91.999","0.002","2323.56","0.11","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H71 N P Si2 Y -","- C49 H71 N P Si2 Y -","- C98 H142 N2 P2 Si4 Y2 -","2","1","","Hangaly, Noa K; Petrov, Alexander R; Elfferding, Michael; Harms, Klaus; Sundermeyer, Jörg","Tetrahydropentalenyl-phosphazene constrained geometry complexes of rare-earth metal alkyls.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7109","7120","10.1039/c3dt53596g","","","0.71073","MoKα","","0.0346","0.0297","","","0.0695","0.0713","","","","","","0.995","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029730","19.2484","0.0007","20.4463","0.0006","23.1053","0.0008","90","","90","","90","","9093.3","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H65 Lu N P Si2 -","- C44 H65 Lu N P Si2 -","- C352 H520 Lu8 N8 P8 Si16 -","8","1","","Hangaly, Noa K; Petrov, Alexander R; Elfferding, Michael; Harms, Klaus; Sundermeyer, Jörg","Tetrahydropentalenyl-phosphazene constrained geometry complexes of rare-earth metal alkyls.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7109","7120","10.1039/c3dt53596g","","","0.71073","MoKα","","0.0656","0.0309","","","0.0405","0.0452","","","","","","0.866","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029731","19.4018","0.0013","20.3212","0.0012","23.1462","0.0014","90","","90","","90","","9125.8","1","466","2","466","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H65 N P Si2 Y -","- C44 H65 N P Si2 Y -","- C352 H520 N8 P8 Si16 Y8 -","8","1","","Hangaly, Noa K; Petrov, Alexander R; Elfferding, Michael; Harms, Klaus; Sundermeyer, Jörg","Tetrahydropentalenyl-phosphazene constrained geometry complexes of rare-earth metal alkyls.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7109","7120","10.1039/c3dt53596g","","","0.71073","MoKα","","0.0918","0.0355","","","0.0683","0.0981","","","","","","0.829","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029732","6.6673","0.0005","21.2751","0.0015","13.0771","0.0009","90","","102.492","0.002","90","","1811","0.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Co3 N20 O4 -","- C28 H30 Co3 N20 O4 -","- C56 H60 Co6 N40 O8 -","2","0.5","","Smith, Tiffany M; Tichenor, Michael; Zhang, Yuan-Zhu; Dunbar, Kim R; Zubieta, Jon","Hydrothermal synthesis, structure and magnetic properties of a three-dimensional cobalt(ii) - aminophenyltetrazolate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7263","7268","10.1039/c4dt00456f","","","0.71073","MoKα","","0.0256","0.0232","","","0.0543","0.0552","","","","","","1.061","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029733","10.2656","0.0003","25.3739","0.0009","9.5914","0.0003","90","","99.108","0.002","90","","2466.85","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4'-Bromobenzo-18-crown-6 oxonium tetrachloroaurate","2,3-(4-Bromobenzo)-1,4,7,10,13,16-Hexaoxacycloocta-deca-2-ene oxonium tetrachloroaurate","","- C16 H26 Au Br Cl4 O7 -","- C16 H26 Au Br Cl4 O7 -","- C64 H104 Au4 Br4 Cl16 O28 -","4","1","","Pluzhnik-Gladyr, Sergei M; Kravtsov, Victor Ch; Fonari, Marina S; Kamalov, Gerbert L","Halogen impact into new oxonium benzo-crown ether complexes with tetrachloro- and tetrabromoaurates(iii).","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7087","7095","10.1039/c4dt00017j","","","0.71073","MoKα","","0.0692","0.0413","","","0.0672","0.0763","","","","","","1.027","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029734","9.4261","0.0008","20.84","0.0009","24.3248","0.0013","90","","90","","90","","4778.4","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,3-(4-Chlorobenzo)-18-crown-6, 2,3-Benzo-18-crown-6,oxonium tetrachloroaurate","2,3-(4-Chlorobenzo)-1,4,7,10,13,16-Hexaoxacycloocta-deca-2-ene, 2,3-Benzo-1,4,7,10,13,16-Hexaoxacycloocta-deca-2-ene,oxonium tetrachloroaurate","","- C16 H26.58 Au Cl4.42 O7 -","- C16 H26.584 Au Cl4.416 O7 -","- C128 H212.672 Au8 Cl35.328 O56 -","8","1","","Pluzhnik-Gladyr, Sergei M; Kravtsov, Victor Ch; Fonari, Marina S; Kamalov, Gerbert L","Halogen impact into new oxonium benzo-crown ether complexes with tetrachloro- and tetrabromoaurates(iii).","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7087","7095","10.1039/c4dt00017j","","","0.71073","MoKα","","0.1121","0.0577","","","0.1078","0.1336","","","","","","1.072","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029735","10.3648","0.0004","25.8306","0.0008","9.8815","0.0003","90","","100.034","0.004","90","","2605.1","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Au Br5 O7 -","- C16 H26 Au Br5 O7 -","- C64 H104 Au4 Br20 O28 -","4","1","","Pluzhnik-Gladyr, Sergei M; Kravtsov, Victor Ch; Fonari, Marina S; Kamalov, Gerbert L","Halogen impact into new oxonium benzo-crown ether complexes with tetrachloro- and tetrabromoaurates(iii).","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7087","7095","10.1039/c4dt00017j","","","0.71073","MoKα","","0.0943","0.0533","","","0.1028","0.115","","","","","","1.002","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029736","8.6437","0.0003","12.6822","0.0008","13.1609","0.0007","61.475","0.006","77.13","0.004","87.395","0.004","1232.61","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H27 Au Br4 O7 -","- C16 H27 Au Br4 O7 -","- C32 H54 Au2 Br8 O14 -","2","1","","Pluzhnik-Gladyr, Sergei M; Kravtsov, Victor Ch; Fonari, Marina S; Kamalov, Gerbert L","Halogen impact into new oxonium benzo-crown ether complexes with tetrachloro- and tetrabromoaurates(iii).","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7087","7095","10.1039/c4dt00017j","","","0.71073","MoKα","","0.0549","0.0359","","","0.0711","0.0781","","","","","","1.002","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029737","7.4448","0.0001","13.1466","0.0002","16.0004","0.0003","90","","90","","90","","1566.02","0.04","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H8 Cl2 Cu N2 O4 -","- C18 H8 Cl2 Cu N2 O4 -","- C72 H32 Cl8 Cu4 N8 O16 -","4","1","","Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka","A novel type of coordination mode of chloranilic acid leading to the formation of polymeric coordination ribbon in the series of mixed-ligand copper(ii) complexes with 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7208","7218","10.1039/c3dt53332h","","x-ray","1.54184","CuKα","","","0.0303","","","","0.0807","","","","","","1.057","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029738","9.5323","0.0001","18.0066","0.0002","10.3935","0.0001","90","","96.822","0.001","90","","1771.35","0.03","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H11 Cl2 Cu N2 O5.5 -","- C18 H11 Cl2 Cu N2 O5.5 -","- C72 H44 Cl8 Cu4 N8 O22 -","4","2","","Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka","A novel type of coordination mode of chloranilic acid leading to the formation of polymeric coordination ribbon in the series of mixed-ligand copper(ii) complexes with 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7208","7218","10.1039/c3dt53332h","","x-ray","1.54179","CuKα","","","0.0273","","","","0.0716","","","","","","1.071","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029739","9.0076","0.0001","7.4235","0.0001","14.1624","0.0002","90","","90.873","0.001","90","","946.9","0.02","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H14 Cl2 Cu N2 O5 -","- C20 H14 Cl2 Cu N2 O5 -","- C40 H28 Cl4 Cu2 N4 O10 -","2","1","","Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka","A novel type of coordination mode of chloranilic acid leading to the formation of polymeric coordination ribbon in the series of mixed-ligand copper(ii) complexes with 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7208","7218","10.1039/c3dt53332h","","x-ray","1.54179","CuKα","","","0.0724","","","","0.1997","","","","","","1.137","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029740","12.3532","0.0006","15.0096","0.0007","16.3027","0.0008","90","","111.011","0.006","90","","2821.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H20 Cl2 Cu N4 O5 -","- C31 H20 Cl2 Cu N4 O5 -","- C124 H80 Cl8 Cu4 N16 O20 -","4","0.5","","Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka","A novel type of coordination mode of chloranilic acid leading to the formation of polymeric coordination ribbon in the series of mixed-ligand copper(ii) complexes with 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7208","7218","10.1039/c3dt53332h","","x-ray","1.54179","CuKα","","","0.0467","","","","0.151","","","","","","1.132","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029741","10.6132","0.0003","17.826","0.0005","23.1406","0.0006","92.076","0.001","94.639","0.001","90.187","0.001","4360.7","0.2","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H55 Cl Cu N5 O4 S2 -","- C42 H55 Cl Cu N5 O4 S2 -","- C168 H220 Cl4 Cu4 N20 O16 S8 -","4","2","","Ibrahim, Houssein; Gibard, Clémentine; Hesling, Cédric; Guillot, Régis; Morel, Laurent; Gautier, Arnaud; Cisnetti, Federico","'Auto-click' functionalization for diversified copper(i) and gold(i) NHCs.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","6981","6989","10.1039/c4dt00429a","","x-ray","0.71073","MoKα","","0.0821","0.0509","","","0.1187","0.1334","","","","","","1.026","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029742","12.208","0.005","12.313","0.005","12.459","0.005","97.914","0.005","92.016","0.005","99.686","0.005","1825.3","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H36 Dy Fe N7 Ni O13 -","- C34 H36 Dy Fe N7 Ni O13 -","- C68 H72 Dy2 Fe2 N14 Ni2 O26 -","2","1","","Chakraborty, Amit; Bag, Prasenjit; Rivière, Eric; Mallah, Talal; Chandrasekhar, Vadapalli","Assembly of heterobimetallic Ni(II)-Ln(III) (Ln(III) = Dy(III), Tb(III), Gd(III), Ho(III), Er(III), Y(III)) complexes using a ferrocene ligand: slow relaxation of the magnetization in Dy(III), Tb(III) and Ho(III) analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8921","8932","10.1039/c4dt00209a","","","0.71069","MoKα","","0.1035","0.0688","","","0.1598","0.1874","","","","","","1.072","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029743","12.293","0.005","12.354","0.005","12.498","0.005","98.128","0.005","91.977","0.005","99.904","0.005","1847.6","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H36 Fe N7 Ni O13 Tb -","- C34 H36 Fe N7 Ni O13 Tb -","- C68 H72 Fe2 N14 Ni2 O26 Tb2 -","2","1","","Chakraborty, Amit; Bag, Prasenjit; Rivière, Eric; Mallah, Talal; Chandrasekhar, Vadapalli","Assembly of heterobimetallic Ni(II)-Ln(III) (Ln(III) = Dy(III), Tb(III), Gd(III), Ho(III), Er(III), Y(III)) complexes using a ferrocene ligand: slow relaxation of the magnetization in Dy(III), Tb(III) and Ho(III) analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8921","8932","10.1039/c4dt00209a","","","0.71069","MoKα","","0.0739","0.0513","","","0.0995","0.1256","","","","","","1.082","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029744","12.313","0.004","12.378","0.004","12.53","0.004","98.03","0.006","91.972","0.006","100.182","0.006","1857.8","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H36 Fe Ho N7 Ni O13 -","- C34 H36 Fe Ho N7 Ni O13 -","- C68 H72 Fe2 Ho2 N14 Ni2 O26 -","2","1","","Chakraborty, Amit; Bag, Prasenjit; Rivière, Eric; Mallah, Talal; Chandrasekhar, Vadapalli","Assembly of heterobimetallic Ni(II)-Ln(III) (Ln(III) = Dy(III), Tb(III), Gd(III), Ho(III), Er(III), Y(III)) complexes using a ferrocene ligand: slow relaxation of the magnetization in Dy(III), Tb(III) and Ho(III) analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8921","8932","10.1039/c4dt00209a","","","0.71073","MoKα","","0.0378","0.029","","","0.0584","0.0648","","","","","","1.076","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029745","12.377","0.005","12.39","0.005","12.485","0.005","91.923","0.005","98.147","0.005","100.163","0.005","1862.2","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H36 Fe Gd N7 Ni O13 -","- C34 H36 Fe Gd N7 Ni O13 -","- C68 H72 Fe2 Gd2 N14 Ni2 O26 -","2","1","","Chakraborty, Amit; Bag, Prasenjit; Rivière, Eric; Mallah, Talal; Chandrasekhar, Vadapalli","Assembly of heterobimetallic Ni(II)-Ln(III) (Ln(III) = Dy(III), Tb(III), Gd(III), Ho(III), Er(III), Y(III)) complexes using a ferrocene ligand: slow relaxation of the magnetization in Dy(III), Tb(III) and Ho(III) analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8921","8932","10.1039/c4dt00209a","","","0.71069","MoKα","","0.0643","0.0497","","","0.1128","0.1206","","","","","","1.1","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029746","12.262","0.005","12.365","0.005","12.503","0.005","98.072","0.005","92.025","0.005","100.116","0.005","1844.2","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H36 Er Fe N7 Ni O13 -","- C34 H36 Er Fe N7 Ni O13 -","- C68 H72 Er2 Fe2 N14 Ni2 O26 -","2","1","","Chakraborty, Amit; Bag, Prasenjit; Rivière, Eric; Mallah, Talal; Chandrasekhar, Vadapalli","Assembly of heterobimetallic Ni(II)-Ln(III) (Ln(III) = Dy(III), Tb(III), Gd(III), Ho(III), Er(III), Y(III)) complexes using a ferrocene ligand: slow relaxation of the magnetization in Dy(III), Tb(III) and Ho(III) analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8921","8932","10.1039/c4dt00209a","","","0.71069","MoKα","","0.0766","0.0534","","","0.1302","0.1579","","","","","","1.025","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029747","12.238","0.005","12.345","0.005","12.486","0.005","98.068","0.005","92.083","0.005","99.95","0.005","1836","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H36 Fe N7 Ni O13 Y -","- C34 H36 Fe N7 Ni O13 Y -","- C68 H72 Fe2 N14 Ni2 O26 Y2 -","2","1","","Chakraborty, Amit; Bag, Prasenjit; Rivière, Eric; Mallah, Talal; Chandrasekhar, Vadapalli","Assembly of heterobimetallic Ni(II)-Ln(III) (Ln(III) = Dy(III), Tb(III), Gd(III), Ho(III), Er(III), Y(III)) complexes using a ferrocene ligand: slow relaxation of the magnetization in Dy(III), Tb(III) and Ho(III) analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8921","8932","10.1039/c4dt00209a","","","0.71069","MoKα","","0.0485","0.0375","","","0.0822","0.0867","","","","","","1.049","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029748","24.2243","0.0006","9.8101","0.0003","31.3223","0.0004","90","","103.263","0.005","90","","7245","0.3","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H41 B2 N4 O3 Sn -","- C34 H38 B2 N4 O3 Sn -","- C272 H304 B16 N32 O24 Sn8 -","8","1","","Kořenková, Monika; Mairychová, Barbora; Růžička, Aleš; Jambor, Roman; Dostál, Libor","Synthesis of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn)-an influence of the substitution of parent boronic acids.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7096","7108","10.1039/c3dt53012d","","","0.71073","MoKα","","0.0517","0.0368","","","0.0637","0.0677","","","","","","1.077","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029749","13.521","0.002","16.002","0.0015","18.278","0.0019","87.385","0.01","88.092","0.011","85.368","0.01","3935.9","0.8","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C85 H88 B4 N8 O6 Sn2 -","- C85 H88 B4 N8 O6 Sn2 -","- C170 H176 B8 N16 O12 Sn4 -","2","1","","Kořenková, Monika; Mairychová, Barbora; Růžička, Aleš; Jambor, Roman; Dostál, Libor","Synthesis of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn)-an influence of the substitution of parent boronic acids.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7096","7108","10.1039/c3dt53012d","","","0.71073","MoKα","","0.1031","0.0841","","","0.1838","0.1921","","","","","","1.214","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029750","13.173","0.001","13.3801","0.0009","17.791","0.0011","84.722","0.004","68.864","0.004","81.877","0.005","2892.6","0.4","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H27 B2 F6 N2 O3 Sb -","- C26 H27 B2 F6 N2 O3 Sb -","- C104 H108 B8 F24 N8 O12 Sb4 -","4","2","","Kořenková, Monika; Mairychová, Barbora; Růžička, Aleš; Jambor, Roman; Dostál, Libor","Synthesis of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn)-an influence of the substitution of parent boronic acids.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7096","7108","10.1039/c3dt53012d","","","0.71073","MoKα","","0.0888","0.0515","","","0.1002","0.121","","","","","","1.108","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029751","13.1011","0.0013","13.287","0.0008","17.721","0.001","84.714","0.005","68.641","0.005","81.857","0.006","2841.2","0.4","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H27 B2 Bi F6 N2 O3 -","- C26 H27 B2 Bi F6 N2 O3 -","- C104 H108 B8 Bi4 F24 N8 O12 -","4","2","","Kořenková, Monika; Mairychová, Barbora; Růžička, Aleš; Jambor, Roman; Dostál, Libor","Synthesis of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn)-an influence of the substitution of parent boronic acids.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7096","7108","10.1039/c3dt53012d","","","0.71073","MoKα","","0.0477","0.0305","","","0.0602","0.0682","","","","","","1.102","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029752","12.675","0.001","23.628","0.001","9.1971","0.0012","90","","90","","90","","2754.4","0.4","150","1","150","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24 H27 B2 Br2 N2 O3 Sb -","- C24 H27 B2 Br2 N2 O3 Sb -","- C96 H108 B8 Br8 N8 O12 Sb4 -","4","0.5","","Kořenková, Monika; Mairychová, Barbora; Růžička, Aleš; Jambor, Roman; Dostál, Libor","Synthesis of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn)-an influence of the substitution of parent boronic acids.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7096","7108","10.1039/c3dt53012d","","","0.71073","MoKα","","0.0701","0.0451","","","0.0876","0.1013","","","","","","1.155","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029753","9.033","0.0007","16.9461","0.0019","19.8601","0.0009","90","","108.624","0.005","90","","2880.9","0.4","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 B2 F6 N2 O3 Sb -","- C26 H27 B2 F6 N2 O3 Sb -","- C104 H108 B8 F24 N8 O12 Sb4 -","4","1","","Kořenková, Monika; Mairychová, Barbora; Růžička, Aleš; Jambor, Roman; Dostál, Libor","Synthesis of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn)-an influence of the substitution of parent boronic acids.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7096","7108","10.1039/c3dt53012d","","","0.71073","MoKα","","0.0735","0.0442","","","0.0897","0.1064","","","","","","1.121","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029754","12.5821","0.0007","23.464","0.0006","9.1219","0.0017","90","","90","","90","","2693","0.5","150","1","150","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24 H27 B2 Bi Br2 N2 O3 -","- C24 H27 B2 Bi Br2 N2 O3 -","- C96 H108 B8 Bi4 Br8 N8 O12 -","4","0.5","","Kořenková, Monika; Mairychová, Barbora; Růžička, Aleš; Jambor, Roman; Dostál, Libor","Synthesis of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn)-an influence of the substitution of parent boronic acids.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7096","7108","10.1039/c3dt53012d","","","0.71073","MoKα","","0.0342","0.0255","","","0.0492","0.0528","","","","","","1.126","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029755","8.933","0.0005","18.964","0.0009","17.5401","0.0013","90","","91.832","0.006","90","","2969.9","0.3","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 B2 Cl2 N4 O3 Sb -","- C27 H29 B2 Cl2 N4 O3 Sb -","- C108 H116 B8 Cl8 N16 O12 Sb4 -","4","1","","Kořenková, Monika; Mairychová, Barbora; Růžička, Aleš; Jambor, Roman; Dostál, Libor","Synthesis of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn)-an influence of the substitution of parent boronic acids.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7096","7108","10.1039/c3dt53012d","","","0.71073","MoKα","","0.045","0.036","","","0.0829","0.0919","","","","","","1.086","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029756","18.584","0.0016","12.1241","0.0018","22.384","0.0006","90","","90","","90","","5043.4","0.9","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H31 B2 N4 O3 Sb -","- C24 H31 B2 N4 O3 Sb -","- C192 H248 B16 N32 O24 Sb8 -","8","1","","Kořenková, Monika; Mairychová, Barbora; Růžička, Aleš; Jambor, Roman; Dostál, Libor","Synthesis of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn)-an influence of the substitution of parent boronic acids.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7096","7108","10.1039/c3dt53012d","","","0.71073","MoKα","","0.0571","0.0339","","","0.0554","0.0641","","","","","","1.158","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029757","14.379","0.002","14.379","0.002","23.815","0.008","90","","90","","90","","4923.9","1.9","180","2","180","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C56 H140 Fe O44 Ti14 -","- C56 H138.948 Fe O44 Ti14 -","- C112 H277.896 Fe2 O88 Ti28 -","2","0.125","","Lv, Yaokang; Cheng, Jun; Matthews, Peter D.; Holgado, Juan Pedro; Willkomm, Janina; Leskes, Michal; Steiner, Alexander; Fenske, Dieter; King, Timothy C.; Wood, Paul T.; Gan, Lihua; Lambert, Richard M.; Wright, Dominic S.","A study of the optical properties of metal-doped polyoxotitanium cages and the relationship to metal-doped titania.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8679","8689","10.1039/c4dt00555d","","","0.71073","MoKα","","0.0812","0.0727","","","0.2256","0.2332","","","","","","1.054","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029758","14.398","0.002","14.398","0.002","23.859","0.008","90","","90","","90","","4946","1.9","180","2","180","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C56 H140 Ga O44 Ti14 -","- C56 H140 Ga O44 Ti14 -","- C112 H280 Ga2 O88 Ti28 -","2","0.125","","Lv, Yaokang; Cheng, Jun; Matthews, Peter D.; Holgado, Juan Pedro; Willkomm, Janina; Leskes, Michal; Steiner, Alexander; Fenske, Dieter; King, Timothy C.; Wood, Paul T.; Gan, Lihua; Lambert, Richard M.; Wright, Dominic S.","A study of the optical properties of metal-doped polyoxotitanium cages and the relationship to metal-doped titania.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8679","8689","10.1039/c4dt00555d","","","0.71073","MoKα","","0.0845","0.0762","","","0.1983","0.2061","","","","","","1.047","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029759","12.991","0.003","13.036","0.003","13.775","0.002","94.807","0.006","114.342","0.005","104.218","0.006","2014.6","0.7","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H100 Cl2 Ga2 O40 Ti14 -","- C40 H100 Cl2 Ga2 O40 Ti14 -","- C40 H100 Cl2 Ga2 O40 Ti14 -","1","0.5","","Lv, Yaokang; Cheng, Jun; Matthews, Peter D.; Holgado, Juan Pedro; Willkomm, Janina; Leskes, Michal; Steiner, Alexander; Fenske, Dieter; King, Timothy C.; Wood, Paul T.; Gan, Lihua; Lambert, Richard M.; Wright, Dominic S.","A study of the optical properties of metal-doped polyoxotitanium cages and the relationship to metal-doped titania.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8679","8689","10.1039/c4dt00555d","","","0.71073","MoKα","","0.0994","0.074","","","0.2092","0.2272","","","","","","1.042","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029760","16.5165","0.0003","16.6208","0.0003","28.4847","0.0007","90.4926","0.0008","94.66","0.0008","108.315","0.0008","7394.1","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C79.33 H199.67 K Mn O77.33 Ti27.67 -","- C79.34 H198.35 K Mn O77.34 Ti27.67 -","- C158.68 H396.7 K2 Mn2 O154.68 Ti55.34 -","2","1","","Lv, Yaokang; Cheng, Jun; Matthews, Peter D.; Holgado, Juan Pedro; Willkomm, Janina; Leskes, Michal; Steiner, Alexander; Fenske, Dieter; King, Timothy C.; Wood, Paul T.; Gan, Lihua; Lambert, Richard M.; Wright, Dominic S.","A study of the optical properties of metal-doped polyoxotitanium cages and the relationship to metal-doped titania.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8679","8689","10.1039/c4dt00555d","","","0.71073","MoKα","","0.1581","0.0632","","","0.1284","0.1429","","","","","","0.96","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029761","7.2326","0.0003","8.3664","0.0004","15.0156","0.0005","97.304","0.003","102.771","0.003","98.187","0.003","865.18","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cl4 Cu N6 O2 -","- C34 H32 Cl4 Cu N6 O2 -","- C34 H32 Cl4 Cu N6 O2 -","1","0.5","","Mendoza-Espinosa, Daniel; Negrón-Silva, Guillermo Enrique; Angeles-Beltrán, Deyanira; Alvarez-Hernández, Alejandro; Suárez-Castillo, Oscar R; Santillán, Rosa","Copper(ii) complexes supported by click generated mixed NN, NO, and NS 1,2,3-triazole based ligands and their catalytic activity in azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7069","7077","10.1039/c4dt00323c","","","1.54178","CuKα","","0.0451","0.035","","","0.0899","0.097","","","","","","1.029","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029762","7.171","0.0003","8.3954","0.0003","14.3714","0.0005","75.138","0.003","81.275","0.003","79.855","0.003","818.01","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl4 Cu N6 O2 -","- C32 H28 Cl4 Cu N6 O2 -","- C32 H28 Cl4 Cu N6 O2 -","1","0.5","","Mendoza-Espinosa, Daniel; Negrón-Silva, Guillermo Enrique; Angeles-Beltrán, Deyanira; Alvarez-Hernández, Alejandro; Suárez-Castillo, Oscar R; Santillán, Rosa","Copper(ii) complexes supported by click generated mixed NN, NO, and NS 1,2,3-triazole based ligands and their catalytic activity in azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7069","7077","10.1039/c4dt00323c","","","0.71073","MoKα","","0.0394","0.0335","","","0.1226","0.1297","","","","","","1.045","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029763","31.1631","0.001","13.4153","0.0005","8.5786","0.0003","90","","101.437","0.003","90","","3515.2","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cl4 Cu N6 S2 -","- C32 H28 Cl4 Cu N6 S2 -","- C128 H112 Cl16 Cu4 N24 S8 -","4","0.5","","Mendoza-Espinosa, Daniel; Negrón-Silva, Guillermo Enrique; Angeles-Beltrán, Deyanira; Alvarez-Hernández, Alejandro; Suárez-Castillo, Oscar R; Santillán, Rosa","Copper(ii) complexes supported by click generated mixed NN, NO, and NS 1,2,3-triazole based ligands and their catalytic activity in azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7069","7077","10.1039/c4dt00323c","","","0.71073","MoKα","","0.2007","0.1664","","","0.4696","0.4939","","","","","","2.018","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029764","12.162","0.003","15.55","0.004","4.2446","0.0011","90","","90","","90","","802.7","0.4","150","2","150","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C17 H15 N8 -","- C17 H15 N8 -","- C34 H30 N16 -","2","0.5","","Gusev, Alexey N; Nemec, Ivan; Herchel, Radovan; Bayjyyev, Eziz; Nyshchimenko, Galyna A; Alexandrov, Grigory G; Eremenko, Igor L; Trávníček, Zdeněk; Hasegawa, Miki; Linert, Wolfgang","Versatile coordination modes of bis[5-(2-pyridine-2-yl)-1,2,4-triazole-3-yl]alkanes in Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7153","7165","10.1039/c4dt00462k","","","0.71073","MoKα","","0.0909","0.0594","","","0.1143","0.1254","","","","","","0.999","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029765","9.6933","0.0008","21.0519","0.0018","22.3646","0.0019","70.42","0.001","88.867","0.002","89.447","0.002","4299","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17.25 Cl2 Cu N8 O0.75 -","- C17 H17.25 Cl2 Cu N8 O0.75 -","- C136 H138 Cl16 Cu8 N64 O6 -","8","4","","Gusev, Alexey N; Nemec, Ivan; Herchel, Radovan; Bayjyyev, Eziz; Nyshchimenko, Galyna A; Alexandrov, Grigory G; Eremenko, Igor L; Trávníček, Zdeněk; Hasegawa, Miki; Linert, Wolfgang","Versatile coordination modes of bis[5-(2-pyridine-2-yl)-1,2,4-triazole-3-yl]alkanes in Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7153","7165","10.1039/c4dt00462k","","","0.71073","MoKα","","0.234","0.0977","","","0.1838","0.22","","","","","","0.999","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029766","11.1178","0.0003","13.3569","0.0003","16.0478","0.0003","76.917","0.002","75.935","0.002","85.931","0.002","2251.32","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cl2 Cu2 N16 O9 -","- C34 H32 Cl2 Cu2 N16 O9 -","- C68 H64 Cl4 Cu4 N32 O18 -","2","1","","Gusev, Alexey N; Nemec, Ivan; Herchel, Radovan; Bayjyyev, Eziz; Nyshchimenko, Galyna A; Alexandrov, Grigory G; Eremenko, Igor L; Trávníček, Zdeněk; Hasegawa, Miki; Linert, Wolfgang","Versatile coordination modes of bis[5-(2-pyridine-2-yl)-1,2,4-triazole-3-yl]alkanes in Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7153","7165","10.1039/c4dt00462k","","","0.71073","MoKα","","0.0613","0.0431","","","0.1203","0.1245","","","","","","0.986","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029767","17.7867","0.0013","26.4574","0.0018","19.756","0.0013","90","","98.558","0.001","90","","9193.5","1.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H62 Cl8 Cu4 N32 O38 -","- C61 H48 Cl8 Cu4 N32 O38 -","- C244 H192 Cl32 Cu16 N128 O152 -","4","1","","Gusev, Alexey N; Nemec, Ivan; Herchel, Radovan; Bayjyyev, Eziz; Nyshchimenko, Galyna A; Alexandrov, Grigory G; Eremenko, Igor L; Trávníček, Zdeněk; Hasegawa, Miki; Linert, Wolfgang","Versatile coordination modes of bis[5-(2-pyridine-2-yl)-1,2,4-triazole-3-yl]alkanes in Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7153","7165","10.1039/c4dt00462k","","","0.71073","MoKα","","0.1392","0.0791","","","0.2139","0.2414","","","","","","1.008","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029768","15.662","0.003","22.852","0.004","15.481","0.003","90","","107.791","0.004","90","","5275.8","1.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H51 Cl3 Cu3 N20 O14 -","- C40 H51 Cl3 Cu3 N20 O14 -","- C160 H204 Cl12 Cu12 N80 O56 -","4","1","","Gusev, Alexey N; Nemec, Ivan; Herchel, Radovan; Bayjyyev, Eziz; Nyshchimenko, Galyna A; Alexandrov, Grigory G; Eremenko, Igor L; Trávníček, Zdeněk; Hasegawa, Miki; Linert, Wolfgang","Versatile coordination modes of bis[5-(2-pyridine-2-yl)-1,2,4-triazole-3-yl]alkanes in Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7153","7165","10.1039/c4dt00462k","","","0.71073","MoKα","","0.2309","0.0774","","","0.1735","0.2234","","","","","","1.034","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029769","22.2091","0.0017","20.9808","0.0017","19.0829","0.0016","90","","104.24","0.001","90","","8618.7","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cl2 Cu2 N16 O10 -","- C34 H34 Cl2 Cu2 N16 O10 -","- C272 H272 Cl16 Cu16 N128 O80 -","8","1","","Gusev, Alexey N; Nemec, Ivan; Herchel, Radovan; Bayjyyev, Eziz; Nyshchimenko, Galyna A; Alexandrov, Grigory G; Eremenko, Igor L; Trávníček, Zdeněk; Hasegawa, Miki; Linert, Wolfgang","Versatile coordination modes of bis[5-(2-pyridine-2-yl)-1,2,4-triazole-3-yl]alkanes in Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7153","7165","10.1039/c4dt00462k","","","0.71073","MoKα","","0.1361","0.0742","","","0.183","0.2202","","","","","","1.003","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029770","7.5521","0.0013","18.127","0.003","14.725","0.003","90","","99.004","0.003","90","","1991","0.6","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H30 Cl2 Cu3 N16 O13 -","- C30 H30 Cl2 Cu3 N16 O13 -","- C60 H60 Cl4 Cu6 N32 O26 -","2","0.5","","Gusev, Alexey N; Nemec, Ivan; Herchel, Radovan; Bayjyyev, Eziz; Nyshchimenko, Galyna A; Alexandrov, Grigory G; Eremenko, Igor L; Trávníček, Zdeněk; Hasegawa, Miki; Linert, Wolfgang","Versatile coordination modes of bis[5-(2-pyridine-2-yl)-1,2,4-triazole-3-yl]alkanes in Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7153","7165","10.1039/c4dt00462k","","","0.71073","MoKα","","0.1334","0.0788","","","0.1931","0.232","","","","","","1.001","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029771","12.411","0.003","15.274","0.003","16.177","0.003","90","","128.84","0.02","90","","2388.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Cl2 Cu2 N16 O16 -","- C40 H48 Cl2 Cu2 N16 O16 -","- C80 H96 Cl4 Cu4 N32 O32 -","2","0.5","","Gusev, Alexey N; Nemec, Ivan; Herchel, Radovan; Bayjyyev, Eziz; Nyshchimenko, Galyna A; Alexandrov, Grigory G; Eremenko, Igor L; Trávníček, Zdeněk; Hasegawa, Miki; Linert, Wolfgang","Versatile coordination modes of bis[5-(2-pyridine-2-yl)-1,2,4-triazole-3-yl]alkanes in Cu(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7153","7165","10.1039/c4dt00462k","","","0.71069","MoKα","","0.1071","0.0579","","","0.1515","0.2144","","","","","","0.988","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029772","10.0921","0.0003","10.4958","0.0003","10.8431","0.0003","86.403","0.002","79.041","0.002","81.993","0.002","1115.84","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cu N2 O6 S -","- C18 H14 Cu N2 O6 S -","- C36 H28 Cu2 N4 O12 S2 -","2","1","","Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Konar, Sanjit","A copper based pillared-bilayer metal organic framework: its synthesis, sorption properties and catalytic performance.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7191","7199","10.1039/c4dt00228h","","","0.71073","MoKα","","0.1059","0.0823","","","0.2273","0.2467","","","","","","1.054","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029773","22.019","0.0011","32.552","0.0017","47.334","0.003","90","","90","","90","","33927","3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70 H59 Cr2 F36 N17 P6 -","- C70 H59 Cr2 F36 N17 P6 -","- C1120 H944 Cr32 F576 N272 P96 -","16","2","","Constable, Edwin C; Housecroft, Catherine E; Neuburger, Markus; Schönle, Jonas; Zampese, Jennifer A","The surprising lability of bis(2,2':6',2''-terpyridine)chromium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7227","7235","10.1039/c4dt00200h","","","1.54178","CuKα","","0.1232","0.0782","","","0.1973","0.2219","","","","","","1.056","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029774","14.8008","0.001","16.102","0.001","21.0282","0.0014","90","","106.033","0.005","90","","4816.6","0.6","123","","123","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C43 H37 Cr F18 N9 P3 -","- C43 H37 Cr F18 N9 P3 -","- C172 H148 Cr4 F72 N36 P12 -","4","1","","Constable, Edwin C; Housecroft, Catherine E; Neuburger, Markus; Schönle, Jonas; Zampese, Jennifer A","The surprising lability of bis(2,2':6',2''-terpyridine)chromium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7227","7235","10.1039/c4dt00200h","","","0.71073","MoKα","","0.0509","0.0384","","0.0621","0.0389","0.035","","","","","","1.0984","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029775","12.6552","0.0009","19.1818","0.0013","36.81","0.003","90","","90","","90","","8935.6","1.1","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H35 Cr F18 N9 P3 -","- C38 H35 Cr F18 N9 P3 -","- C304 H280 Cr8 F144 N72 P24 -","8","1","","Constable, Edwin C; Housecroft, Catherine E; Neuburger, Markus; Schönle, Jonas; Zampese, Jennifer A","The surprising lability of bis(2,2':6',2''-terpyridine)chromium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7227","7235","10.1039/c4dt00200h","","","1.54178","CuKα","","0.0356","0.0339","","","0.0908","0.0921","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029776","10.393","0.002","18.147","0.004","18.322","0.004","90","","102.61","0.03","90","","3372.2","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H51 Li N O3 P -","- C36 H51 Li N O3 P -","- C144 H204 Li4 N4 O12 P4 -","4","1","","Stasch, Andreas","Reactivity studies of a soluble LiH-complex and non-spectator behaviour of its stabilising phosphinoamide ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7078","7086","10.1039/c3dt52140k","","","0.7109","synchrotron","","0.0586","0.0466","","","0.1146","0.1234","","","","","","1.038","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029777","14.003","0.003","22.742","0.005","28.741","0.006","90","","94.69","0.03","90","","9122","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H130 Li4 N6 O2 P2 Si2 -","- C96 H130 Li4 N6 O2 P2 Si2 -","- C384 H520 Li16 N24 O8 P8 Si8 -","4","1","","Stasch, Andreas","Reactivity studies of a soluble LiH-complex and non-spectator behaviour of its stabilising phosphinoamide ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7078","7086","10.1039/c3dt52140k","","","0.7101","synchrotron","","0.0774","0.0652","","","0.172","0.1827","","","","","","1.025","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029778","14.562","0.003","14.076","0.003","14.694","0.003","90","","91.81","0.03","90","","3010.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H74 Li2 N6 P2 -","- C72 H74 Li2 N6 P2 -","- C144 H148 Li4 N12 P4 -","2","0.5","","Stasch, Andreas","Reactivity studies of a soluble LiH-complex and non-spectator behaviour of its stabilising phosphinoamide ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7078","7086","10.1039/c3dt52140k","","","0.7107","synchrotron","","0.0685","0.0486","","","0.1172","0.1275","","","","","","1.023","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029779","10.0694","0.0008","12.8595","0.0009","13.9119","0.0011","88.05","0.006","75.353","0.007","83.371","0.006","1731.2","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H45 Li N3 O P -","- C40 H45 Li N3 O P -","- C80 H90 Li2 N6 O2 P2 -","2","1","","Stasch, Andreas","Reactivity studies of a soluble LiH-complex and non-spectator behaviour of its stabilising phosphinoamide ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7078","7086","10.1039/c3dt52140k","","","0.71073","MoKα","","0.0844","0.0546","","","0.1096","0.1248","","","","","","1.017","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029780","33.502","0.007","9.728","0.0019","25.91","0.005","90","","124.53","0.03","90","","6957","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H76 Li8 N8 -","- C84 H76 Li8 N8 -","- C336 H304 Li32 N32 -","4","0.5","","Stasch, Andreas","Reactivity studies of a soluble LiH-complex and non-spectator behaviour of its stabilising phosphinoamide ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7078","7086","10.1039/c3dt52140k","","","0.7107","synchrotron","","0.0941","0.063","","","0.1543","0.1741","","","","","","1.023","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029781","39.222","0.0002","39.222","0.0002","39.222","0.0002","90","","90","","90","","60337.8","0.5","173","2","173","2","","","","","","","","6","F 4 3 2","F 4 2 3","209","","","","- C156 H252 Ag28 N60 O128 S38 -","- C156 H108 Ag28 N60 O100.84 S38 -","- C1248 H864 Ag224 N480 O806.72 S304 -","8","0.0833333","","Wang, Han; Wan, Chong-Qing; Mak, Thomas C W","High-nuclearity silver(i) cluster-based coordination polymers assembled with multidentate oligo-α-heteroarylsulfanyl ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7254","7262","10.1039/c3dt53344a","","","1.54184","CuKα","","0.0839","0.0549","","","0.1481","0.172","","","","","","1.046","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029782","39.222","0.0002","39.222","0.0002","39.222","0.0002","90","","90","","90","","60337.8","0.5","173","2","173","2","","","","","","","","6","F 4 3 2","F 4 2 3","209","","","","- C78 H54 Ag14 N30 O28 S19 -","- C78 H54 Ag14 N30 O27.92 S19 -","- C1248 H864 Ag224 N480 O446.72 S304 -","16","0.166667","","Wang, Han; Wan, Chong-Qing; Mak, Thomas C W","High-nuclearity silver(i) cluster-based coordination polymers assembled with multidentate oligo-α-heteroarylsulfanyl ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7254","7262","10.1039/c3dt53344a","","","1.54184","CuKα","","0.0668","0.0544","","","0.1107","0.1162","","","","","","1.118","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029783","11.6523","0.0006","17.9655","0.0009","21.6837","0.0008","90","","115.696","0.002","90","","4090.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Ag10 N24 O30 S13 -","- C48 H42 Ag10 N24 O30 S13 -","- C96 H84 Ag20 N48 O60 S26 -","2","0.5","","Wang, Han; Wan, Chong-Qing; Mak, Thomas C W","High-nuclearity silver(i) cluster-based coordination polymers assembled with multidentate oligo-α-heteroarylsulfanyl ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7254","7262","10.1039/c3dt53344a","","","0.71073","MoKα","","0.0511","0.0432","","","0.1149","0.1222","","","","","","1.031","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029784","12.0625","0.0011","24.805","0.002","13.2469","0.0013","90","","114.6","0.002","90","","3603.9","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H76 Cl8 N4 P2 Pd2 -","- C70 H76 Cl8 N4 P2 Pd2 -","- C140 H152 Cl16 N8 P4 Pd4 -","2","0.5","","Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei","Dinuclear NHC-palladium complexes containing phosphine spacers: synthesis, X-ray structures and their catalytic activities towards the Hiyama coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7166","7175","10.1039/c4dt00180j","","","0.71073","MoKα","","0.0695","0.0447","","","0.1069","0.1283","","","","","","1.073","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029785","13.168","0.006","13.479","0.007","28.285","0.013","99.38","0.007","90.26","0.008","119.21","0.007","4303","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H100 Cl8 N4 P2 Pd2 -","- C82 H100 Cl8 N4 P2 Pd2 -","- C164 H200 Cl16 N8 P4 Pd4 -","2","1","","Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei","Dinuclear NHC-palladium complexes containing phosphine spacers: synthesis, X-ray structures and their catalytic activities towards the Hiyama coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7166","7175","10.1039/c4dt00180j","","","0.71073","MoKα","","0.1381","0.0828","","","0.2367","0.2676","","","","","","1.142","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029786","10.996","0.008","20.067","0.015","15.377","0.011","90","","104.08","0.012","90","","3291","4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H76 Cl4 N4 P2 Pd2 -","- C70 H76 Cl4 N4 P2 Pd2 -","- C140 H152 Cl8 N8 P4 Pd4 -","2","0.5","","Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei","Dinuclear NHC-palladium complexes containing phosphine spacers: synthesis, X-ray structures and their catalytic activities towards the Hiyama coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7166","7175","10.1039/c4dt00180j","","","0.71073","MoKα","","0.078","0.0582","","","0.1823","0.2064","","","","","","1.025","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029787","29.94","0.003","13.7039","0.0014","21.536","0.002","90","","90","","90","","8836.1","1.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C82 H100 Cl4 N4 P2 Pd2 -","- C82 H100 Cl4 N4 P2 Pd2 -","- C328 H400 Cl16 N16 P8 Pd8 -","4","1","","Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei","Dinuclear NHC-palladium complexes containing phosphine spacers: synthesis, X-ray structures and their catalytic activities towards the Hiyama coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7166","7175","10.1039/c4dt00180j","","","0.71073","MoKα","","0.0593","0.0445","","","0.1202","0.1327","","","","","","1.114","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029788","22.0765","0.0005","16.3158","0.0005","25.68","0.0008","90","","115.416","0.004","90","","8354.6","0.5","100.01","0.15","100.01","0.15","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C288 H204 Ag16 Mo32 N96 O110 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.034","0.03","","","0.0732","0.0758","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029789","22.06","0.0005","16.3472","0.0005","25.677","0.0008","90","","115.392","0.004","90","","8365.1","0.5","130.01","0.1","130.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C288 H204 Ag16 Mo32 N96 O110 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0342","0.0296","","","0.0693","0.0725","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029790","22.0532","0.0005","16.3828","0.0005","25.6809","0.0008","90","","115.391","0.004","90","","8382.1","0.5","160.01","0.1","160.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C288 H204 Ag16 Mo32 N96 O110 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0343","0.0297","","","0.0687","0.072","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029791","22.0383","0.0006","16.4151","0.0006","25.679","0.0008","90","","115.404","0.004","90","","8391.4","0.5","190.01","0.1","190.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C288 H204 Ag16 Mo32 N96 O110 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0335","0.0283","","","0.0604","0.0636","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029792","22.0366","0.0006","16.4532","0.0006","25.6805","0.0008","90","","115.397","0.004","90","","8411.2","0.5","220","0.1","220","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H51 Ag4 Mo8 N24 O27.63 -","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C288 H204 Ag16 Mo32 N96 O110 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0343","0.0287","","","0.0602","0.0636","","","","","","1.075","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029793","22.0248","0.0006","16.4933","0.0006","25.6766","0.0008","90","","115.385","0.004","90","","8426.7","0.5","250.01","0.1","250.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C288 H204 Ag16 Mo32 N96 O110 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0356","0.0296","","","0.0647","0.0687","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029794","22.0121","0.0006","16.5301","0.0006","25.6641","0.0009","90","","115.386","0.005","90","","8436.5","0.6","280","0.1","280","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C288 H204 Ag16 Mo32 N96 O110 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0372","0.0309","","","0.0732","0.0782","","","","","","1.111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029795","21.9848","0.0006","16.5617","0.0006","25.6443","0.0009","90","","115.366","0.005","90","","8437","0.6","310","0.1","310","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C288 H204 Ag16 Mo32 N96 O110 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0406","0.0336","","","0.0803","0.0867","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029796","21.9777","0.0006","16.6111","0.0006","25.6344","0.0009","90","","115.351","0.005","90","","8457.2","0.6","340.01","0.1","340.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C72 H51 Ag4 Mo8 N24 O27.5 -","- C288 H204 Ag16 Mo32 N96 O110 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0429","0.0353","","","0.0879","0.0948","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029797","21.9944","0.0008","16.6621","0.0005","25.6363","0.0011","90","","115.34","0.005","90","","8491.1","0.6","370","0.1","370","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0493","0.0405","","","0.1146","0.1226","","","","","","1.074","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029798","21.9717","0.0006","16.6692","0.0006","25.6289","0.0009","90","","115.344","0.005","90","","8483.2","0.6","380","0.1","380","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0518","0.0421","","","0.1189","0.1291","","","","","","1.09","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029799","21.9504","0.0007","16.7095","0.0007","25.6128","0.001","90","","115.366","0.005","90","","8488.6","0.7","410.01","0.1","410.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0559","0.0447","","","0.1293","0.1412","","","","","","1.091","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029800","21.9362","0.0007","16.7329","0.0005","25.5715","0.0011","90","","115.324","0.004","90","","8484.2","0.6","440.01","0.1","440.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0585","0.0472","","","0.1357","0.1465","","","","","","1.071","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029801","21.9416","0.0008","16.7734","0.0006","25.5513","0.0014","90","","115.225","0.005","90","","8507","0.7","470","0.1","470","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0644","0.0509","","","0.1459","0.1587","","","","","","1.072","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029802","21.9368","0.0007","16.8155","0.0005","25.4998","0.0012","90","","115.121","0.004","90","","8516.6","0.6","500","0.1","500","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0696","0.0548","","","0.1585","0.174","","","","","","1.068","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029803","22.1162","0.0007","16.2831","0.0004","25.6433","0.0012","90","","115.366","0.004","90","","8344.4","0.6","100.01","0.11","100.01","0.11","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.044","0.0383","","","0.1064","0.111","","","","","","1.059","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029804","22.0935","0.0009","16.2897","0.0004","25.6306","0.0011","90","","115.277","0.005","90","","8341.2","0.6","130","0.1","130","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.041","0.0353","","","0.0885","0.093","","","","","","1.046","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029805","22.087","0.0008","16.3172","0.0004","25.6279","0.001","90","","115.265","0.005","90","","8352.7","0.6","160.01","0.1","160.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0416","0.0348","","","0.0898","0.095","","","","","","1.051","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029806","22.0639","0.0008","16.3382","0.0004","25.617","0.001","90","","115.311","0.004","90","","8348","0.6","190","0.1","190","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0409","0.0338","","","0.084","0.0898","","","","","","1.057","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029807","22.0572","0.0006","16.3893","0.0003","25.603","0.0007","90","","115.305","0.003","90","","8367.4","0.4","220.01","0.1","220.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0396","0.0324","","","0.0799","0.0851","","","","","","1.063","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029808","22.0466","0.0006","16.425","0.0003","25.5931","0.0007","90","","115.293","0.003","90","","8379.2","0.4","250.01","0.1","250.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0428","0.0348","","","0.0879","0.0945","","","","","","1.061","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029810","22.029","0.0009","16.4861","0.0005","25.5887","0.0011","90","","115.233","0.005","90","","8406.4","0.7","310.01","0.1","310.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0506","0.0397","","","0.108","0.1175","","","","","","1.066","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029811","22.0101","0.0009","16.5266","0.0005","25.5684","0.0011","90","","115.234","0.005","90","","8413","0.7","340","0.1","340","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0551","0.0432","","","0.1196","0.1307","","","","","","1.072","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029812","21.9943","0.0008","16.5773","0.0006","25.558","0.0015","90","","115.203","0.005","90","","8431.5","0.7","370.01","0.1","370.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.059","0.0461","","","0.1293","0.1414","","","","","","1.069","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029813","21.9867","0.001","16.5916","0.0005","25.552","0.0012","90","","115.203","0.006","90","","8433.9","0.7","380","0.1","380","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0605","0.0472","","","0.1329","0.1458","","","","","","1.069","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029814","21.966","0.0009","16.6288","0.0006","25.5315","0.0016","90","","115.158","0.006","90","","8441.2","0.8","410.01","0.1","410.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0654","0.0501","","","0.1445","0.1586","","","","","","1.084","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029815","21.9475","0.0009","16.6741","0.0007","25.5226","0.0017","90","","115.119","0.006","90","","8456.8","0.9","440","0.1","440","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.07","0.0526","","","0.1502","0.1692","","","","","","1.088","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029816","21.9381","0.0012","16.7198","0.0007","25.5037","0.0014","90","","115.074","0.007","90","","8473.2","0.9","470","0.1","470","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.074","0.0547","","","0.1593","0.1787","","","","","","1.08","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029817","21.9302","0.0011","16.7795","0.0008","25.488","0.0018","90","","115.029","0.007","90","","8498.3","1","500","0.1","500","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0793","0.0578","","","0.1657","0.1879","","","","","","1.072","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029818","22.002","0.0008","16.7356","0.0006","25.5607","0.0014","90","","115.199","0.005","90","","8516.2","0.7","440","0.1","440","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0627","0.0501","","","0.1486","0.1619","","","","","","1.067","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029819","22.0267","0.0007","16.6061","0.0005","25.5742","0.0012","90","","115.25","0.004","90","","8460.7","0.6","370","0.1","370","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0546","0.0447","","","0.1285","0.1384","","","","","","1.051","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029820","22.0501","0.0007","16.5079","0.0005","25.596","0.0012","90","","115.291","0.004","90","","8423.9","0.6","310.01","0.1","310.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0466","0.0387","","","0.106","0.1135","","","","","","1.026","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029821","22.07","0.0007","16.4328","0.0004","25.6173","0.0012","90","","115.315","0.004","90","","8398.5","0.6","250.01","0.1","250.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0401","0.0337","","","0.0885","0.0932","","","","","","1.017","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029822","22.078","0.0007","16.3817","0.0004","25.6311","0.0011","90","","115.334","0.004","90","","8378.6","0.6","210","0.1","210","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0367","0.031","","","0.0847","0.0934","","","","","","0.601","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029823","22.0984","0.0006","16.3321","0.0004","25.6479","0.0011","90","","115.35","0.004","90","","8365.3","0.5","160.01","0.1","160.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag4 Mo8 N24 O26 -","- C72 H48 Ag4 Mo8 N24 O26 -","- C288 H192 Ag16 Mo32 N96 O104 -","4","0.5","","Zhang, Lei; Kuang, Xiaofei; Wu, Xiaoyuan; Yang, Wenbin; Lu, Canzhong","Supramolecular interactions induced hinge-like motion of a metal-organic framework accompanied by anisotropic thermal expansion.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7146","7152","10.1039/c3dt53580k","","","0.71073","MoKα","","0.0352","0.0303","","","0.0844","0.0916","","","","","","0.63","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029824","14.0666","0.0003","17.4108","0.0004","26.8525","0.0007","90","","93.767","0.001","90","","6562.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C168 H124 Cu3 K3 N22 -","- C168 H124 Cu3 K3 N22 -","- C336 H248 Cu6 K6 N44 -","2","0.5","","Tseng, Chia-Kai; Lee, Chi-Rung; Tseng, Mei-Chun; Han, Chien-Chung; Shyu, Shin-Guang","Reactivity of [K3(phen)8][Cu(NPh2)2]3-a possible intermediate in the copper(i)-catalyzed N-arylation of N-phenylaniline.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7020","7027","10.1039/c4dt00051j","","","0.71073","MoKα","","0.0683","0.0398","","","0.0943","0.1182","","","","","","1.06","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029825","7.563","0.0002","18.4368","0.0006","27.0336","0.0008","90","","90","","90","","3769.5","0.19","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H18 K N3 -","- C24 H18 K N3 -","- C192 H144 K8 N24 -","8","1","","Tseng, Chia-Kai; Lee, Chi-Rung; Tseng, Mei-Chun; Han, Chien-Chung; Shyu, Shin-Guang","Reactivity of [K3(phen)8][Cu(NPh2)2]3-a possible intermediate in the copper(i)-catalyzed N-arylation of N-phenylaniline.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7020","7027","10.1039/c4dt00051j","","","0.71073","MoKα","","0.0586","0.0408","","","0.1106","0.1202","","","","","","1.188","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029826","7.1363","0.0008","8.4833","0.0009","19.643","0.002","90","","99.414","0.001","90","","1173.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 B F2 N3 O -","- C13 H8 B F2 N3 O -","- C52 H32 B4 F8 N12 O4 -","4","1","","Gao, Naixun; Cheng, Chi; Yu, Changjiang; Hao, Erhong; Wang, Shengyuan; Wang, Jun; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Facile synthesis of highly fluorescent BF2 complexes bearing isoindolin-1-one ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7121","7127","10.1039/c4dt00138a","","","0.71073","MoKα","","0.0474","0.0379","","","0.1021","0.1108","","","","","","1.057","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029827","8.5735","0.0011","9.5948","0.0012","13.8754","0.0018","89.966","0.002","76.129","0.001","63.719","0.001","986.2","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H16 B F2 N3 O S -","- C19 H16 B F2 N3 O S -","- C38 H32 B2 F4 N6 O2 S2 -","2","1","","Gao, Naixun; Cheng, Chi; Yu, Changjiang; Hao, Erhong; Wang, Shengyuan; Wang, Jun; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Facile synthesis of highly fluorescent BF2 complexes bearing isoindolin-1-one ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7121","7127","10.1039/c4dt00138a","","","0.71073","MoKα","","0.0834","0.0663","","","0.2499","0.2636","","","","","","1.085","","","","has coordinates,has disorder","180004","2020-10-21","18:00:00",""
"7029828","9.0078","0.0008","9.7507","0.0007","11.5888","0.0012","82.034","0.007","68.642","0.009","72.303","0.007","902.66","0.15","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 B2 Mg N8 O6 -","- C8 H12 B2 Mg N8 O6 -","- C16 H24 B4 Mg2 N16 O12 -","2","1","","Nitschke, Christian; Köckerling, Martin; Bernhardt, Eduard; Küppers, Torsten; Willner, Helge","Structural diversity and spectral and thermal properties of the first alkaline earth metal tetracyanidoborates: [Mg(H2O)6][B(CN)4]2, [Mg(H2O)2][B(CN)4]2, [Mg(DMF)6][B(CN)4]2, [Ca(H2O)3][B(CN)4]2, and [Ca(H2O)2(CH3CN)][B(CN)4]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7128","7138","10.1039/c3dt51945g","","","0.71073","MoKα","","0.0386","0.0308","","","0.0716","0.0759","","","","","","1.045","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029829","12.394","0.0004","12.394","0.0004","9.2041","0.0003","90","","90","","90","","1413.85","0.08","295","2","295","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","Magnesium-bis-aqua-bis-tetracyanidoborate","Magnesium-bis-aqua-bis-tetracyanidoborate","","- C8 H4 B2 Mg N8 O2 -","- C8 H4 B2 Mg N8 O2 -","- C32 H16 B8 Mg4 N32 O8 -","4","0.25","","Nitschke, Christian; Köckerling, Martin; Bernhardt, Eduard; Küppers, Torsten; Willner, Helge","Structural diversity and spectral and thermal properties of the first alkaline earth metal tetracyanidoborates: [Mg(H2O)6][B(CN)4]2, [Mg(H2O)2][B(CN)4]2, [Mg(DMF)6][B(CN)4]2, [Ca(H2O)3][B(CN)4]2, and [Ca(H2O)2(CH3CN)][B(CN)4]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7128","7138","10.1039/c3dt51945g","","","0.71073","MoKα","","0.0302","0.0253","","","0.0604","0.0621","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029830","12.2203","0.0002","12.6637","0.0002","13.5191","0.0002","90","","116.538","0.001","90","","1871.71","0.05","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Calcium bis-aqua bis-tetracyanoborate acetronitrile solvate","","- C10 H7 B2 Ca N9 O2 -","- C10 H7 B2 Ca N9 O2 -","- C40 H28 B8 Ca4 N36 O8 -","4","1","","Nitschke, Christian; Köckerling, Martin; Bernhardt, Eduard; Küppers, Torsten; Willner, Helge","Structural diversity and spectral and thermal properties of the first alkaline earth metal tetracyanidoborates: [Mg(H2O)6][B(CN)4]2, [Mg(H2O)2][B(CN)4]2, [Mg(DMF)6][B(CN)4]2, [Ca(H2O)3][B(CN)4]2, and [Ca(H2O)2(CH3CN)][B(CN)4]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7128","7138","10.1039/c3dt51945g","","","0.71073","MoKα","","0.0482","0.0346","","","0.0867","0.0944","","","","","","1.035","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029831","9.5347","0.0002","10.2205","0.0002","10.4874","0.0002","68.283","0.001","89.223","0.001","63.152","0.001","832.45","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Calcium tris-aqua bis-tetracyanoborate","","- C8 H6 B2 Ca N8 O3 -","- C8 H6 B2 Ca N8 O3 -","- C16 H12 B4 Ca2 N16 O6 -","2","1","","Nitschke, Christian; Köckerling, Martin; Bernhardt, Eduard; Küppers, Torsten; Willner, Helge","Structural diversity and spectral and thermal properties of the first alkaline earth metal tetracyanidoborates: [Mg(H2O)6][B(CN)4]2, [Mg(H2O)2][B(CN)4]2, [Mg(DMF)6][B(CN)4]2, [Ca(H2O)3][B(CN)4]2, and [Ca(H2O)2(CH3CN)][B(CN)4]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7128","7138","10.1039/c3dt51945g","","","0.71073","MoKα","","0.0335","0.0279","","","0.0763","0.0785","","","","","","1.067","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029832","8.6187","0.0004","11.1119","0.0005","12.2149","0.0005","66.096","0.002","75.57","0.002","76.422","0.002","1023.85","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Hexakis-dimethylformamide-magnesium(II) bis-tetracyanidoborate","","- C26 H42 B2 Mg N14 O6 -","- C26 H42 B2 Mg N14 O6 -","- C26 H42 B2 Mg N14 O6 -","1","0.5","","Nitschke, Christian; Köckerling, Martin; Bernhardt, Eduard; Küppers, Torsten; Willner, Helge","Structural diversity and spectral and thermal properties of the first alkaline earth metal tetracyanidoborates: [Mg(H2O)6][B(CN)4]2, [Mg(H2O)2][B(CN)4]2, [Mg(DMF)6][B(CN)4]2, [Ca(H2O)3][B(CN)4]2, and [Ca(H2O)2(CH3CN)][B(CN)4]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7128","7138","10.1039/c3dt51945g","","","0.71073","MoKα","","0.0635","0.0445","","","0.1253","0.1401","","","","","","1.023","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029833","12.3683","0.0002","12.3683","0.0002","9.1712","0.0003","90","","90","","90","","1402.96","0.06","150","1","150","1","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C8 H4 B2 Mg N8 O2 -","- C8 H4 B2 Mg N8 O2 -","- C32 H16 B8 Mg4 N32 O8 -","4","0.25","","Nitschke, Christian; Köckerling, Martin; Bernhardt, Eduard; Küppers, Torsten; Willner, Helge","Structural diversity and spectral and thermal properties of the first alkaline earth metal tetracyanidoborates: [Mg(H2O)6][B(CN)4]2, [Mg(H2O)2][B(CN)4]2, [Mg(DMF)6][B(CN)4]2, [Ca(H2O)3][B(CN)4]2, and [Ca(H2O)2(CH3CN)][B(CN)4]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7128","7138","10.1039/c3dt51945g","","","1.54184","CuKα","","0.0175","0.017","","","0.0454","0.0458","","","","","","1.113","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029834","12.374","0.002","10.371","0.0016","18.186","0.003","90","","96.074","0.003","90","","2320.7","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","dicholoride 1,2-di(1H-benzo[d]imidazol-2-yl)benzene Zinc(II)","","","- C23 H23 Cl2 N5 O2 Zn -","- C23 H23 Cl2 N5 O2 Zn -","- C92 H92 Cl8 N20 O8 Zn4 -","4","1","","Xie, Qiang; Liu, Shenggui; Li, Xiaoling; Wu, Qiong; Luo, Zuandi; Fu, Xiaoyan; Cao, Wenqiang; Lan, Guoqiang; Li, Dan; Zheng, Wenjie; Chen, Tianfeng","Dinuclear zinc(ii) complexes containing (benzimidazol-2-yl)benzene that overcome drug resistance in hepatocellular carcinoma cells through induction of mitochondria fragmentation.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","6973","6976","10.1039/c4dt00198b","","","0.71073","MoKα","","0.0476","0.0322","","","0.0753","0.082","","","","","","1.056","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029835","9.8612","0.001","25.265","0.003","11.1161","0.0011","90","","111.146","0.002","90","","2583","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrachloride 1,2,4,5-tetra(1H-benzo[d]imidazol-2-yl)benzene dinuclear zinc (II)","","","- C46 H50 Cl4 N12 O4 Zn2 -","- C46 H50 Cl4 N12 O4 Zn2 -","- C92 H100 Cl8 N24 O8 Zn4 -","2","0.5","","Xie, Qiang; Liu, Shenggui; Li, Xiaoling; Wu, Qiong; Luo, Zuandi; Fu, Xiaoyan; Cao, Wenqiang; Lan, Guoqiang; Li, Dan; Zheng, Wenjie; Chen, Tianfeng","Dinuclear zinc(ii) complexes containing (benzimidazol-2-yl)benzene that overcome drug resistance in hepatocellular carcinoma cells through induction of mitochondria fragmentation.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","6973","6976","10.1039/c4dt00198b","","","0.71073","MoKα","","0.0382","0.0295","","","0.082","0.0878","","","","","","1.052","","","","has coordinates,has disorder","180004","2020-10-21","18:00:00",""
"7029836","8.768","0.002","8.851","0.002","12.344","0.003","76.95","0.002","77.453","0.002","63.795","0.002","829.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Cd N8 O12 S2 -","- C26 H28 Cd N8 O12 S2 -","- C26 H28 Cd N8 O12 S2 -","1","0.5","","Xue, Li-Ping; Chang, Xin-Hong; Li, Shi-Hui; Ma, Lu-Fang; Wang, Li-Ya","The structural diversity and photoluminescent properties of cadmium thiophenedicarboxylate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7219","7226","10.1039/c4dt00211c","","","0.71073","MoKα","","0.0288","0.0285","","","0.0716","0.0721","","","","","","1.034","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029837","21.534","0.006","8.764","0.003","16.832","0.005","90","","106.95","0.004","90","","3038.6","1.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cd N8 O8 S2 -","- C26 H22 Cd N8 O8 S2 -","- C104 H88 Cd4 N32 O32 S8 -","4","0.5","","Xue, Li-Ping; Chang, Xin-Hong; Li, Shi-Hui; Ma, Lu-Fang; Wang, Li-Ya","The structural diversity and photoluminescent properties of cadmium thiophenedicarboxylate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7219","7226","10.1039/c4dt00211c","","","0.71073","MoKα","","0.0605","0.0447","","","0.1288","0.1377","","","","","","1.031","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029838","15.539","0.003","8.9486","0.0015","13.056","0.002","90","","103.428","0.002","90","","1765.8","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cd N4 O4 S -","- C16 H16 Cd N4 O4 S -","- C64 H64 Cd4 N16 O16 S4 -","4","0.5","","Xue, Li-Ping; Chang, Xin-Hong; Li, Shi-Hui; Ma, Lu-Fang; Wang, Li-Ya","The structural diversity and photoluminescent properties of cadmium thiophenedicarboxylate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7219","7226","10.1039/c4dt00211c","","","0.71073","MoKα","","0.0219","0.0196","","","0.0492","0.0509","","","","","","1.033","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029839","16.714","0.006","16.289","0.006","13.976","0.005","90","","95.587","0.003","90","","3787","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cd N4 O5 S -","- C16 H18 Cd N4 O5 S -","- C128 H144 Cd8 N32 O40 S8 -","8","1","","Xue, Li-Ping; Chang, Xin-Hong; Li, Shi-Hui; Ma, Lu-Fang; Wang, Li-Ya","The structural diversity and photoluminescent properties of cadmium thiophenedicarboxylate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7219","7226","10.1039/c4dt00211c","","","0.71073","MoKα","","0.0548","0.0516","","","0.1329","0.1363","","","","","","1.037","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029840","9.473","0.0011","9.473","0.0011","42.894","0.01","90","","90","","90","","3849.2","1.1","296","2","296","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C17 H13 Cd N5 O5 S -","- C17 H13 Cd N5 O5 S -","- C136 H104 Cd8 N40 O40 S8 -","8","0.5","","Xue, Li-Ping; Chang, Xin-Hong; Li, Shi-Hui; Ma, Lu-Fang; Wang, Li-Ya","The structural diversity and photoluminescent properties of cadmium thiophenedicarboxylate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7219","7226","10.1039/c4dt00211c","","","0.71073","MoKα","","0.036","0.033","","","0.089","0.0904","","","","","","1.253","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029841","9.4643","0.0012","9.4643","0.0012","42.89","0.011","90","","90","","90","","3841.8","1.2","296","2","296","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C17 H12 Cd N5 O5 S -","- C17 H12 Cd N5 O5 S -","- C136 H96 Cd8 N40 O40 S8 -","8","0.5","","Xue, Li-Ping; Chang, Xin-Hong; Li, Shi-Hui; Ma, Lu-Fang; Wang, Li-Ya","The structural diversity and photoluminescent properties of cadmium thiophenedicarboxylate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7219","7226","10.1039/c4dt00211c","","","0.71073","MoKα","","0.0381","0.0367","","","0.0962","0.097","","","","","","1.107","","","","has coordinates,has disorder","180004","2020-10-21","18:00:00",""
"7029842","36.102","0.006","36.102","0.006","9.93","0.003","90","","90","","90","","12942","5","296","2","296","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C44 H59 B2 Cl2 Cu Mn2 N22 O20.5 -","- C44 H42 B2 Cl2 Cu Mn2 N22 O20.5 -","- C352 H336 B16 Cl16 Cu8 Mn16 N176 O164 -","8","0.5","","Ryu, Dae Won; Shin, Jin Ho; Lim, Kwang Soo; Lee, Woo Ram; Phang, Won Ju; Yoon, Sung Won; Suh, Byoung Jin; Koh, Eui Kwan; Hong, Chang Seop","Dehydration-triggered magnetic phase conversion in the porous Cu(ii)Mn(iii) metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","6994","6997","10.1039/c4dt00222a","","","0.71073","MoKα","","0.1788","0.0716","","","0.1849","0.238","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029843","35.9978","0.0006","35.9978","0.0006","9.9081","0.0003","90","","90","","90","","12839.3","0.5","296","2","296","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C44 H42 B2 Cl2 Cu Mn2 N22 O12 -","- C44 H42 B2 Cl2 Cu Mn2 N22 O12 -","- C352 H336 B16 Cl16 Cu8 Mn16 N176 O96 -","8","0.5","","Ryu, Dae Won; Shin, Jin Ho; Lim, Kwang Soo; Lee, Woo Ram; Phang, Won Ju; Yoon, Sung Won; Suh, Byoung Jin; Koh, Eui Kwan; Hong, Chang Seop","Dehydration-triggered magnetic phase conversion in the porous Cu(ii)Mn(iii) metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","6994","6997","10.1039/c4dt00222a","","","0.71073","MoKα","","0.1919","0.0613","","","0.1607","0.2398","","","","","","0.995","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029844","7.19","0.1","21.79","0.1","13.62","0.1","90","","90","","90","","2134","3","","","","","","","","","","","","3","C m c m","-C 2c 2","63","COE-3","","","- C15.19 O76 Si37.59 -","- C15.52 O76 Si37.76 -","- C15.52 O76 Si37.76 -","1","0.0625","","Guo, Peng; Liu, Leifeng; Yun, Yifeng; Su, Jie; Wan, Wei; Gies, Hermann; Zhang, Haiyan; Xiao, Feng-Shou; Zou, Xiaodong","Ab initio structure determination of interlayer expanded zeolites by single crystal rotation electron diffraction.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10593","10601","10.1039/c4dt00458b","","","0.0251","Electrons","","0.4496","0.3754","","","0.7646","0.7956","","","","","","4.147","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029845","7.29","0.1","23.02","0.1","14.02","0.1","90","","90","","90","","2353","4","","","","","","","","","","","","2","C m c m","-C 2c 2","63","COE-4","","","- O88.8 Si38.4 -","- O85.92 Si36.96 -","- O85.92 Si36.96 -","1","0.0625","","Guo, Peng; Liu, Leifeng; Yun, Yifeng; Su, Jie; Wan, Wei; Gies, Hermann; Zhang, Haiyan; Xiao, Feng-Shou; Zou, Xiaodong","Ab initio structure determination of interlayer expanded zeolites by single crystal rotation electron diffraction.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10593","10601","10.1039/c4dt00458b","","","0.0251","Electrons","","0.4431","0.3878","","","0.775","0.8078","","","","","","4.673","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029846","7.40027","0.00035","23.4265","0.0017","14.00808","0.00066","90","","90","","90","","2428.5","0.2","298","","298","","","","","","","","","3","C m c m","-C 2c 2","63","COE-3","","?hkl_Phase?","- C19.12 O76 Si39.34 -","- C19.1288 O76 Si39.3384 -","- C19.1288 O76 Si39.3384 -","1","0.0625","","Guo, Peng; Liu, Leifeng; Yun, Yifeng; Su, Jie; Wan, Wei; Gies, Hermann; Zhang, Haiyan; Xiao, Feng-Shou; Zou, Xiaodong","Ab initio structure determination of interlayer expanded zeolites by single crystal rotation electron diffraction.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10593","10601","10.1039/c4dt00458b","powder diffraction","","1.5406","","","","","","","","","","0.016","2.5","","","","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029847","7.39833","0.00053","23.2909","0.0023","13.99523","0.00078","90","","90","","90","","2411.6","0.3","298","","298","","","","","","","","","2","C m c m","-C 2c 2","63","COE-4","","","- O104.14 Si38.71 -","- O104.144 Si38.712 -","- O104.144 Si38.712 -","1","0.0625","","Guo, Peng; Liu, Leifeng; Yun, Yifeng; Su, Jie; Wan, Wei; Gies, Hermann; Zhang, Haiyan; Xiao, Feng-Shou; Zou, Xiaodong","Ab initio structure determination of interlayer expanded zeolites by single crystal rotation electron diffraction.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10593","10601","10.1039/c4dt00458b","powder diffraction","","1.5406","","","","","","","","","","0.015","2","","","","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029848","17.0333","0.0013","20.4889","0.0016","24.4972","0.0019","90","","90","","90","","8549.4","1.1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C75 H110 B2 N6 O12 Os P4 -","- C75 H110 B2 N6 O12 Os P4 -","- C300 H440 B8 N24 O48 Os4 P16 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Caia, Alfonso; Castro, Jesús","Preparation and reactivity towards hydrazines of bis(cyanamide) and bis(cyanoguanidine) complexes of the iron triad.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7314","7323","10.1039/c4dt00394b","","","0.71073","MoKα","","0.159","0.0509","","","0.087","0.1185","","","","","","0.954","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029849","23.691","0.006","13.71","0.004","10.983","0.003","90","","105.048","0.005","90","","3445","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C2 H6 Cl6 N0 O9 P2 Zn2 -","- C2 H6 Cl6 O9 P2 Zn2 -","- C16 H48 Cl48 O72 P16 Zn16 -","8","1","","Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Metre, Ramesh K; Chandrasekhar, Vadapalli","Molecular and polymeric zinc(ii) phosphonates: isolation of an octanuclear ellipsoidal ensemble.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7304","7313","10.1039/c3dt53614a","","","0.71073","MoKα","","0.0614","0.039","","","0.0871","0.093","","","","","","1.012","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029850","9.998","0.005","11.016","0.005","13.645","0.005","77.438","0.005","72.645","0.005","77.177","0.005","1380","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H50 Cl8 N12 O16 P2 Zn4 -","- C32 H50 Cl8 N12 O16 P2 Zn4 -","- C32 H50 Cl8 N12 O16 P2 Zn4 -","1","0.5","","Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Metre, Ramesh K; Chandrasekhar, Vadapalli","Molecular and polymeric zinc(ii) phosphonates: isolation of an octanuclear ellipsoidal ensemble.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7304","7313","10.1039/c3dt53614a","","","0.71069","MoKα","","0.126","0.0693","","","0.1332","0.1972","","","","","","1.096","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029851","9.679","0.0017","20.502","0.008","15.715","0.0013","90","","91.657","0.0018","90","","3117.2","1.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H38 Cl5 N6 O3 P Zn2 -","- C19 H38 Cl5 N6 O3 P Zn2 -","- C76 H152 Cl20 N24 O12 P4 Zn8 -","4","1","","Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Metre, Ramesh K; Chandrasekhar, Vadapalli","Molecular and polymeric zinc(ii) phosphonates: isolation of an octanuclear ellipsoidal ensemble.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7304","7313","10.1039/c3dt53614a","","","0.71069","MoKα","","0.0735","0.0624","","","0.1672","0.1748","","","","","","1.093","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029852","14.1126","0.0012","26.267","0.002","33.873","0.003","93.974","0.002","92.518","0.002","91.439","0.002","12509.3","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C180 H306 Cl12 N8 O38 P12 Zn16 -","- C180 H306 Cl12 N8 O38 P12 Zn16 -","- C360 H612 Cl24 N16 O76 P24 Zn32 -","2","1","","Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Metre, Ramesh K; Chandrasekhar, Vadapalli","Molecular and polymeric zinc(ii) phosphonates: isolation of an octanuclear ellipsoidal ensemble.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7304","7313","10.1039/c3dt53614a","","","0.71073","MoKα","","0.1673","0.0878","","","0.2272","0.2738","","","","","","0.932","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029853","12.9886","0.0008","13.3288","0.0008","14.4878","0.0009","117.22","0.001","94.9","0.001","103.066","0.001","2120.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.5 H34 B2 Br2 N8 Sn -","- C22.5 H34 B2 Br2 N8 Sn -","- C67.5 H102 B6 Br6 N24 Sn3 -","3","1.5","","Cramer, S. Alan; Sturgill, Forrest L.; Chandrachud, Preeti P.; Jenkins, David M.","Overcoming NHCs neutrality: installing tetracarbenes on group 13 and 14 metals.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7687","7690","10.1039/c4dt00990h","","","0.71073","MoKα","","0.0424","0.032","","","0.0822","0.0911","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029854","13.476","0.005","12.338","0.005","15.419","0.006","90","","115.91","","90","","2306","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 B2 Br In N8 -","- C20 H28 B2 Br In N8 -","- C80 H112 B8 Br4 In4 N32 -","4","1","","Cramer, S. Alan; Sturgill, Forrest L.; Chandrachud, Preeti P.; Jenkins, David M.","Overcoming NHCs neutrality: installing tetracarbenes on group 13 and 14 metals.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7687","7690","10.1039/c4dt00990h","","","0.71073","MoKα","","0.1282","0.0734","","","0.1928","0.2208","","","","","","1.155","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029855","13.752","0.005","8.962","0.003","17.688","0.006","90","","90","","90","","2180","1.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H28 Al B2 Cl N8 -","- C20 H28 Al B2 Cl N8 -","- C80 H112 Al4 B8 Cl4 N32 -","4","0.5","","Cramer, S. Alan; Sturgill, Forrest L.; Chandrachud, Preeti P.; Jenkins, David M.","Overcoming NHCs neutrality: installing tetracarbenes on group 13 and 14 metals.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7687","7690","10.1039/c4dt00990h","","","0.71073","MoKα","","0.1122","0.0956","","","0.25","0.2552","","","","","","1.857","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029856","9.05","0.002","13.82","0.003","17.544","0.004","90","","89.982","0.003","90","","2194.2","0.8","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C20 H28 Al B2 Br N8 -","- C20 H28 Al B2 Br N8 -","- C80 H112 Al4 B8 Br4 N32 -","4","0.5","","Cramer, S. Alan; Sturgill, Forrest L.; Chandrachud, Preeti P.; Jenkins, David M.","Overcoming NHCs neutrality: installing tetracarbenes on group 13 and 14 metals.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7687","7690","10.1039/c4dt00990h","","","0.71073","MoKα","","0.1116","0.0756","","","0.1866","0.2117","","","","","","1.084","","","","has coordinates,has disorder","180004","2020-10-21","18:00:00",""
"7029857","38.966","0.002","22.2805","0.0009","14.1432","0.0004","90","","90","","90","","12278.9","0.9","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H81 Cl2 N2 P Ru -","- C57 H81 Cl2 N2 P Ru -","- C456 H648 Cl16 N16 P8 Ru8 -","8","1","","Rouen, Mathieu; Borré, Etienne; Falivene, Laura; Toupet, Loic; Berthod, Mikaël; Cavallo, Luigi; Olivier-Bourbigou, Hélène; Mauduit, Marc","Cycloalkyl-based unsymmetrical unsaturated (U2)-NHC ligands: flexibility and dissymmetry in ruthenium-catalysed olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7044","7049","10.1039/c4dt00142g","","","0.71073","MoKα","","0.1124","0.0824","","","0.1809","0.1924","","","","","","1.103","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029858","18.7213","0.0003","8.6355","0.0001","25.2389","0.0003","90","","93.376","0.001","90","","4073.24","0.09","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Cl2 F3 N3 O2 Ru -","- C36 H48 Cl2 F3 N3 O2 Ru -","- C144 H192 Cl8 F12 N12 O8 Ru4 -","4","1","","Rouen, Mathieu; Borré, Etienne; Falivene, Laura; Toupet, Loic; Berthod, Mikaël; Cavallo, Luigi; Olivier-Bourbigou, Hélène; Mauduit, Marc","Cycloalkyl-based unsymmetrical unsaturated (U2)-NHC ligands: flexibility and dissymmetry in ruthenium-catalysed olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7044","7049","10.1039/c4dt00142g","","","0.71073","MoKα","","0.0629","0.037","","","0.1016","0.1149","","","","","","0.655","","","","has coordinates,has disorder","180004","2020-10-21","18:00:00",""
"7029859","13.6662","0.0003","12.2444","0.0002","17.0887","0.0004","90","","108.84","0.002","90","","2706.33","0.1","140","2","140","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C27 H34 Cl2 N2 O Ru -","- C27 H34 Cl2 N2 O Ru -","- C108 H136 Cl8 N8 O4 Ru4 -","4","1","","Rouen, Mathieu; Borré, Etienne; Falivene, Laura; Toupet, Loic; Berthod, Mikaël; Cavallo, Luigi; Olivier-Bourbigou, Hélène; Mauduit, Marc","Cycloalkyl-based unsymmetrical unsaturated (U2)-NHC ligands: flexibility and dissymmetry in ruthenium-catalysed olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7044","7049","10.1039/c4dt00142g","","","0.71073","MoKα","","0.0487","0.0304","","","0.0702","0.0734","","","","","","0.932","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029860","10.2325","0.0011","17.2007","0.0017","16.2381","0.0018","90","","104.175","0.003","90","","2771","0.5","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 B N2 -","- C32 H35 B N2 -","- C128 H140 B4 N8 -","4","1","","Kumar, George Rajendra; Thilagar, Pakkirisamy","Dicyanovinyl substituted triarylboranes: a rational approach to distinguish fluoride and cyanide ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7200","7207","10.1039/c3dt53638f","","","0.71073","MoKα","","0.101","0.0615","","","0.1805","0.2067","","","","","","1.358","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029861","18.03","0.002","8.1868","0.001","15.998","0.002","90","","100.873","0.006","90","","2319","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 B N2 -","- C28 H27 B N2 -","- C112 H108 B4 N8 -","4","1","","Kumar, George Rajendra; Thilagar, Pakkirisamy","Dicyanovinyl substituted triarylboranes: a rational approach to distinguish fluoride and cyanide ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7200","7207","10.1039/c3dt53638f","","","0.71073","MoKα","","0.0997","0.075","","","0.2156","0.2419","","","","","","1.026","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029862","9.6029","0.0018","18.439","0.004","18.741","0.003","104.736","0.002","93.845","0.002","104.84","0.001","3071.1","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H70 Al2 B20 Cu3 N12 O41 -","- C18 H70 Al2 B20 Cu3 N12 O41 -","- C36 H140 Al4 B40 Cu6 N24 O82 -","2","1","","Cheng, Lin; Zhao, Jun-Wei; Yang, Guo-Yu","Two Cu-complex directed aluminoborates: from 2D layers to 3D frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7324","7330","10.1039/c4dt00511b","","","0.71073","MoKα","","0.0877","0.0712","","","0.1996","0.219","","","","","","1.055","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029863","13.3741","0.0008","13.7633","0.0007","16.0355","0.0008","90","","90","","90","","2951.7","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C4 H16 Al B5 Cu N4 O10 -","- C4 H16 Al B5 Cu N4 O10 -","- C32 H128 Al8 B40 Cu8 N32 O80 -","8","1","","Cheng, Lin; Zhao, Jun-Wei; Yang, Guo-Yu","Two Cu-complex directed aluminoborates: from 2D layers to 3D frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7324","7330","10.1039/c4dt00511b","","","0.71073","MoKα","","0.081","0.0785","","","0.1563","0.1594","","","","","","1.055","","","","has coordinates,has disorder","180004","2020-10-21","18:00:00",""
"7029864","11.5221","0.0007","21.9315","0.0013","8.3869","0.0005","90","","94.374","0.001","90","","2113.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 O3 Zn -","- C26 H19 N3 O3 Zn -","- C104 H76 N12 O12 Zn4 -","4","1","","Cao, Wei; Zheng, Xiang-Jun; Fang, De-Cai; Jin, Lin-Pei","A highly selective and sensitive Zn(ii) complex-based chemosensor for sequential recognition of Cu(ii) and cyanide.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7298","7303","10.1039/c3dt53647e","","","0.71073","MoKα","","0.052","0.0358","","","0.0874","0.0944","","","","","","1.034","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029865","14.821","0.003","10.615","0.002","25.757","0.006","90","","90","","90","","4052.2","1.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Cl Cu N3 O2 -","- C24 H18 Cl Cu N3 O2 -","- C192 H144 Cl8 Cu8 N24 O16 -","8","1","","Cao, Wei; Zheng, Xiang-Jun; Fang, De-Cai; Jin, Lin-Pei","A highly selective and sensitive Zn(ii) complex-based chemosensor for sequential recognition of Cu(ii) and cyanide.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7298","7303","10.1039/c3dt53647e","","","0.71073","MoKα","","0.0486","0.032","","","0.0759","0.0833","","","","","","1.045","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029866","7.6099","0.0003","10.4281","0.0005","13.6427","0.0007","84.281","0.004","89.806","0.004","70.891","0.004","1017.4","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Mn N3 O6 -","- C23 H17 Mn N3 O6 -","- C46 H34 Mn2 N6 O12 -","2","1","","Gong, Yun; Zhang, Miao Miao; Qin, Jian Bo; Li, Jian; Meng, Jiang Ping; Lin, Jian Hua","Metal(ii) complexes synthesized based on quinoline-2,3-dicarboxylate as electrocatalysts for the degradation of methyl orange.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8454","8460","10.1039/c3dt53505c","","","0.71073","MoKα","","0.0746","0.0554","","","0.1614","0.1756","","","","","","1.025","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029867","8.6479","0.0004","9.4452","0.0004","12.1753","0.0006","96.438","0.004","96.446","0.004","104.773","0.004","945.23","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Co N6 O14 -","- C40 H34 Co N6 O14 -","- C40 H34 Co N6 O14 -","1","0.5","","Gong, Yun; Zhang, Miao Miao; Qin, Jian Bo; Li, Jian; Meng, Jiang Ping; Lin, Jian Hua","Metal(ii) complexes synthesized based on quinoline-2,3-dicarboxylate as electrocatalysts for the degradation of methyl orange.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8454","8460","10.1039/c3dt53505c","","","0.71073","MoKα","","0.0395","0.0305","","","0.0784","0.0899","","","","","","1.042","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029868","9.9301","0.0013","17.06","0.002","10.008","0.002","90","","109.004","0.018","90","","1603","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cl4 Mn2 N6 -","- C30 H30 Cl4 Mn2 N6 -","- C60 H60 Cl8 Mn4 N12 -","2","0.5","","Chaignon, Jérémy; Stiriba, Salah-Eddine; Lloret, Francisco; Yuste, Consuelo; Pilet, Guillaume; Bonneviot, Laurent; Albela, Belén; Castro, Isabel","Bioinspired manganese(ii) complexes with a clickable ligand for immobilisation on a solid support.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9704","9713","10.1039/c3dt53636j","","","0.71069","MoKα","","0.0709","0.0586","","0.0874","0.0711","0.0648","","","","","","0.9233","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7029869","10.136","0.0004","17.2803","0.0006","10.2664","0.0004","90","","109.062","0.002","90","","1699.59","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[di-mu-bromo-dibromo-bis(N,N-bis((pyridin-2-yl)methyl)prop-2-yn-1-amine)]dimanganese(II)","","- C30 H30 Br4 Mn2 N6 -","- C30 H30 Br4 Mn2 N6 -","- C60 H60 Br8 Mn4 N12 -","2","0.5","","Chaignon, Jérémy; Stiriba, Salah-Eddine; Lloret, Francisco; Yuste, Consuelo; Pilet, Guillaume; Bonneviot, Laurent; Albela, Belén; Castro, Isabel","Bioinspired manganese(ii) complexes with a clickable ligand for immobilisation on a solid support.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9704","9713","10.1039/c3dt53636j","","","0.71073","MoKα","","0.0332","0.0239","","","0.0545","0.0578","","","","","","1.038","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029870","10.2568","0.0003","18.4512","0.0006","18.6889","0.0006","90","","95.592","0.003","90","","3520.05","0.19","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Mn2 N22 -","- C28 H32 Mn2 N20 -","- C112 H128 Mn8 N80 -","4","0.5","","Chaignon, Jérémy; Stiriba, Salah-Eddine; Lloret, Francisco; Yuste, Consuelo; Pilet, Guillaume; Bonneviot, Laurent; Albela, Belén; Castro, Isabel","Bioinspired manganese(ii) complexes with a clickable ligand for immobilisation on a solid support.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9704","9713","10.1039/c3dt53636j","","","0.71069","MoKα","","0.0462","0.0346","","0.0447","0.0365","0.0353","","","","","","1.0832","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7029871","9.0552","0.0002","10.1744","0.0002","11.1141","0.0002","85.55","0.001","81.656","0.001","69.687","0.001","949.7","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[di-mu-azido-diazido-bis(N,N?-bis((pyridin-2-yl)methyl)prop-2-yn-1-amine)]dimanganese(II)","","- C32 H38 Mn2 N18 O2 -","- C32 H38 Mn2 N18 O2 -","- C32 H38 Mn2 N18 O2 -","1","0.5","","Chaignon, Jérémy; Stiriba, Salah-Eddine; Lloret, Francisco; Yuste, Consuelo; Pilet, Guillaume; Bonneviot, Laurent; Albela, Belén; Castro, Isabel","Bioinspired manganese(ii) complexes with a clickable ligand for immobilisation on a solid support.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9704","9713","10.1039/c3dt53636j","","","0.71073","MoKα","","0.0501","0.0337","","","0.0868","0.1116","","","","","","1.108","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029872","13.2876","0.0012","15.3866","0.0014","17.1807","0.0015","63.423","0.001","80.922","0.001","81.274","0.001","3089","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Shvo catalyst","","","- C76 H58 O6 Ru2 -","- C76 H58 O6 Ru2 -","- C152 H116 O12 Ru4 -","2","1","","Pasini, Thomas; Solinas, Gavino; Zanotti, Valerio; Albonetti, Stefania; Cavani, Fabrizio; Vaccari, Angelo; Mazzanti, Andrea; Ranieri, Silvia; Mazzoni, Rita","Substrate and product role in the Shvo's catalyzed selective hydrogenation of the platform bio-based chemical 5-hydroxymethylfurfural.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10224","10234","10.1039/c4dt00304g","","","0.71073","MoKα","","0.0401","0.0307","","","0.0804","0.0873","","","","","","1.029","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029873","23.4878","0.0016","28.214","0.002","31.304","0.002","90","","90","","90","","20745","2","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C188 H276 Cl2 Fe7 N18 O38 -","- C170 H234 Cl2 Fe7 N18 O28 -","- C680 H936 Cl8 Fe28 N72 O112 -","4","0.5","","Mukherjee, Chandan; Hoeke, Veronika; Stammler, Anja; Bögge, Hartmut; Schnack, Jürgen; Glaser, Thorsten","Switching from antiferromagnetic to ferromagnetic coupling in heptanuclear [M(t)6M(c)](n+) complexes by going from an achiral to a chiral triplesalen ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9690","9703","10.1039/c4dt00670d","","","0.71073","MoKα","","0.0643","0.0582","","","0.1684","0.1744","","","","","","1.045","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029874","23.1459","0.001","28.167","0.0012","31.7049","0.0013","90","","90","","90","","20670","1.5","100","2","100","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C192 H276 Cl2 Fe Mn6 N18 O38 -","- C176 H244 Cl2 Fe Mn6 N18 O30 -","- C704 H976 Cl8 Fe4 Mn24 N72 O120 -","4","0.5","","Mukherjee, Chandan; Hoeke, Veronika; Stammler, Anja; Bögge, Hartmut; Schnack, Jürgen; Glaser, Thorsten","Switching from antiferromagnetic to ferromagnetic coupling in heptanuclear [M(t)6M(c)](n+) complexes by going from an achiral to a chiral triplesalen ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9690","9703","10.1039/c4dt00670d","","","0.71073","MoKα","","0.0618","0.0488","","","0.1259","0.134","","","","","","1.039","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029875","14.416","0.005","40.031","0.005","15.177","0.005","90","0.005","93.276","0.005","90","0.005","8744","4","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C46 H103.5 Ag14 S11.5 -","- C46 H91.4 Ag14 S11.5 -","- C184 H365.6 Ag56 S46 -","4","1","","Zhou, Kun; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Yan, Li-Kai; Su, Zhong-Min","Self-assembly of an all-thiol-stabilized {Ag28S23} high-nuclearity luminescent nanocluster with a ""crab-like"" shape.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10695","10699","10.1039/c4dt00762j","","","0.71069","MoKα","","0.1124","0.061","","","0.1466","0.1715","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029876","10.893","0.003","22.133","0.007","15.524","0.005","90","","100.687","0.014","90","","3678","2","123","2","123.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Mo N2 P2 Si3 -","- C32 H56 Mo N2 P2 Si3 -","- C128 H224 Mo4 N8 P8 Si12 -","4","1","","Khalimon, Andrey Y.; McLeod, Nicolas A.; Ignatov, Stanislav K.; Okhapkin, Andrey I.; Kuzmina, Lyudmila G.; Howard, Judith A. K.; Nikonov, Georgii I.","Multiple coupling of silanes with imido complexes of Mo.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8446","8453","10.1039/c4dt00154k","","","0.71073","MoKα","","0.3144","0.096","","","0.1983","0.2576","","","","","","0.733","","","","has coordinates,has disorder","180004","2020-10-21","18:00:00",""
"7029877","7.0951","0.0008","7.2149","0.0008","15.5637","0.0018","83.208","0.002","79.978","0.002","87.293","0.002","778.76","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(trop)2W(CO)3","","","- C17 H10 O7 W -","- C17 H10 O7 W -","- C34 H20 O14 W2 -","2","1","","Becica, Joseph; Jackson, Andrew B.; Dougherty, William G.; Kassel, W. Scott; West, Nathan M.","Bis-tropolonate complexes of tungsten: scaffolds for selective side-on binding of nitriles, imines and ketones.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8738","8748","10.1039/c4dt00734d","","","0.71073","MoKα","","0.0182","0.0165","","","0.0387","0.0394","","","","","","1.05","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029878","10.6825","0.0006","24.7828","0.0012","15.8496","0.0009","90","","99.116","0.002","90","","4143.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(trop)2W(CO)(PhCCMe)","","","- C48.5 H37 Cl O10 W2 -","- C48.5 H37 Cl O10 W2 -","- C194 H148 Cl4 O40 W8 -","4","1","","Becica, Joseph; Jackson, Andrew B.; Dougherty, William G.; Kassel, W. Scott; West, Nathan M.","Bis-tropolonate complexes of tungsten: scaffolds for selective side-on binding of nitriles, imines and ketones.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8738","8748","10.1039/c4dt00734d","","","0.71073","MoKα","","0.0536","0.0307","","","0.0526","0.0579","","","","","","1.007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029879","36.265","0.007","14.093","0.003","19.302","0.004","90","","110.04","0.03","90","","9268","4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(trop)2W(CO)(MeN=CH(tol))","","","- C100 H94 N4 O21 W4 -","- C100 H94 N4 O21 W4 -","- C400 H376 N16 O84 W16 -","4","0.5","","Becica, Joseph; Jackson, Andrew B.; Dougherty, William G.; Kassel, W. Scott; West, Nathan M.","Bis-tropolonate complexes of tungsten: scaffolds for selective side-on binding of nitriles, imines and ketones.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8738","8748","10.1039/c4dt00734d","","","0.71073","MoKα","","0.0886","0.0371","","","0.0551","0.0679","","","","","","0.995","","","","has coordinates,has disorder","180004","2020-10-21","18:00:00",""
"7029880","10.2806","0.0013","11.599","0.0014","19.76","0.002","90","","97.596","0.004","90","","2335.6","0.5","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethyl-N-(2-pyridinylmethylene)phenylamine","","- C14 H14 N2 -","- C14 H14 N2 -","- C112 H112 N16 -","8","2","","Kriechbaum, Margit; Otte, Daniela; List, Manuela; Monkowius, Uwe","Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8781","8791","10.1039/c4dt00695j","","","0.71073","MoKα","","0.0714","0.0453","","","0.1123","0.1282","","","","","","1.028","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029881","15.3674","0.0011","15.3674","0.0011","13.9783","0.0011","90","","90","","90","","3301.1","0.4","200","2","200","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","2,6-Diisopropyl-N-(2-pyridinylmethylene)phenylamine","","- C18 H22 N2 -","- C18 H22 N2 -","- C144 H176 N16 -","8","1","","Kriechbaum, Margit; Otte, Daniela; List, Manuela; Monkowius, Uwe","Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8781","8791","10.1039/c4dt00695j","","","0.71073","MoKα","","0.0434","0.0348","","","0.0851","0.0916","","","","","","1.012","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029882","9.498","0.005","17.132","0.008","10.148","0.005","90","","107.178","0.015","90","","1577.6","1.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(2,6-dimethylphenyl)imidazo[1,5-a]pyridin-2-ium hexafluorophosphate","","- C15 H15 F6 N2 P -","- C15 H15 F6 N2 P -","- C60 H60 F24 N8 P4 -","4","0.5","","Kriechbaum, Margit; Otte, Daniela; List, Manuela; Monkowius, Uwe","Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8781","8791","10.1039/c4dt00695j","","","0.71073","MoKα","","0.0759","0.0518","","","0.1166","0.1263","","","","","","1.063","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029883","16.367","0.0016","13.09","0.002","9.463","0.003","90","","90","","90","","2027.4","0.7","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-(2,6-diisopropylphenyl)imidazo[1,5-a]pyridin-2-ium hexafluorophosphate","","- C19 H23 F6 N2 P -","- C19 H23 F6 N2 P -","- C76 H92 F24 N8 P4 -","4","1","","Kriechbaum, Margit; Otte, Daniela; List, Manuela; Monkowius, Uwe","Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8781","8791","10.1039/c4dt00695j","","","0.71073","","","0.0624","0.0553","","","0.1498","0.1576","","","","","","1.033","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029884","8.527","0.002","10.424","0.003","11.059","0.003","84.065","0.008","73.767","0.008","80.064","0.009","928.1","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Chlorido-{2-(2,6-diisopropylphenyl)imidazo[1,5-a]pyridin-3-ylidene}silver(I)","","- C38 H44 Ag F6 N4 P -","- C38 H44 Ag F6 N4 P -","- C38 H44 Ag F6 N4 P -","1","0.5","","Kriechbaum, Margit; Otte, Daniela; List, Manuela; Monkowius, Uwe","Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8781","8791","10.1039/c4dt00695j","","","0.71073","MoKα","","0.0689","0.0537","","","0.11","0.13","","","","","","1.028","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029885","10.646","0.002","10.8148","0.0019","13.179","0.003","90","","107.979","0.007","90","","1443.3","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bromido-{2-(2,6-dimethylphenyl)imidazo[1,5-a]pyridin-3-ylidene}gold(I)","","- C15 H14 Au Br N2 -","- C15 H14 Au Br N2 -","- C60 H56 Au4 Br4 N8 -","4","1","","Kriechbaum, Margit; Otte, Daniela; List, Manuela; Monkowius, Uwe","Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8781","8791","10.1039/c4dt00695j","","","0.71073","MoKα","","0.0499","0.0391","","","0.1022","0.1105","","","","","","1.045","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029886","8.6606","0.0009","10.3644","0.0011","11.0776","0.0013","83.862","0.004","74.229","0.003","80.572","0.004","941.95","0.18","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis{2-(2,6-diisopropylphenyl)imidazo[1,5-a]pyridin-3-ylidene}gold(I) PF6","","- C38 H44 Au F6 N4 P -","- C38 H44 Au F6 N4 P -","- C38 H44 Au F6 N4 P -","1","0.5","","Kriechbaum, Margit; Otte, Daniela; List, Manuela; Monkowius, Uwe","Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8781","8791","10.1039/c4dt00695j","","","0.71073","","","0.0376","0.0375","","","0.0933","0.0935","","","","","","1.028","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029887","9.591","0.002","14.252","0.003","12.728","0.003","90","","99.907","0.007","90","","1713.9","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tribromido-{2-(2,6-dimethylphenyl)imidazo[1,5-a]pyridin-3-ylidene}gold(III)","","- C15 H14 Au Br3 N2 -","- C15 H14 Au Br3 N2 -","- C60 H56 Au4 Br12 N8 -","4","1","","Kriechbaum, Margit; Otte, Daniela; List, Manuela; Monkowius, Uwe","Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8781","8791","10.1039/c4dt00695j","","","0.71073","MoKα","","0.0725","0.0412","","","0.0804","0.0926","","","","","","0.994","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029888","10.005","0.004","13.609","0.005","16.219","0.006","90","","100.229","0.014","90","","2173.2","1.4","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tribromido-{2-(2,6-diisopropylphenyl)imidazo[1,5-a]pyridin-3-ylidene}gold(III)","","- C19 H22 Au Br3 N2 -","- C19 H22 Au Br3 N2 -","- C76 H88 Au4 Br12 N8 -","4","1","","Kriechbaum, Margit; Otte, Daniela; List, Manuela; Monkowius, Uwe","Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8781","8791","10.1039/c4dt00695j","","","0.71073","MoKα","","0.0439","0.0296","","","0.0619","0.0671","","","","","","1.01","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029889","12.973","0.005","19.165","0.005","9.998","0.005","90","0.005","101.712","0.005","90","0.005","2434","1.7","293","2","293","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C16 H24 Ag3 Mo12 N8 O42 P -","- C16 H18 Ag3 Mo12 N8 O42 P -","- C32 H36 Ag6 Mo24 N16 O84 P2 -","2","0.5","","Tian, Ai-Xiang; Yang, Yang; Ying, Jun; Li, Na; Lin, Xiao-Ling; Zhang, Ju-Wen; Wang, Xiu-Li","The key role of -CH3 steric hindrance in bis(pyrazolyl) ligand on polyoxometalate-based compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8405","8413","10.1039/c4dt00107a","","","0.71069","MoKα","","0.0259","0.0243","","","0.0577","0.0588","","","","","","0.96","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029890","12.863","0.005","12.959","0.005","19.517","0.005","80.885","0.005","89.984","0.005","78.821","0.005","3149.7","1.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H42 Ag N8 O44 P W12 -","- C22 H32 Ag N8 O44 P W12 -","- C44 H64 Ag2 N16 O88 P2 W24 -","2","1","","Tian, Ai-Xiang; Yang, Yang; Ying, Jun; Li, Na; Lin, Xiao-Ling; Zhang, Ju-Wen; Wang, Xiu-Li","The key role of -CH3 steric hindrance in bis(pyrazolyl) ligand on polyoxometalate-based compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8405","8413","10.1039/c4dt00107a","","","0.71069","MoKα","","0.1324","0.0726","","","0.1637","0.1892","","","","","","1.015","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029891","14.1484","0.0014","14.2546","0.0015","16.6307","0.0016","72.529","0.002","72.936","0.002","61.456","0.002","2765.1","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H101 Ag6 N24 O40 P W12 -","- C66 H96 Ag6 N24 O40 P W12 -","- C66 H96 Ag6 N24 O40 P W12 -","1","0.5","","Tian, Ai-Xiang; Yang, Yang; Ying, Jun; Li, Na; Lin, Xiao-Ling; Zhang, Ju-Wen; Wang, Xiu-Li","The key role of -CH3 steric hindrance in bis(pyrazolyl) ligand on polyoxometalate-based compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8405","8413","10.1039/c4dt00107a","","","0.71073","MoKα","","0.1145","0.0802","","","0.1669","0.18","","","","","","1.064","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029892","14.978","0.005","29.229","0.005","25.515","0.005","90","0.005","95.961","0.005","90","0.005","11110","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 Ag2 N8 O31 P W9 -","- C22 H32 Ag2 N8 O31 P W9 -","- C176 H256 Ag16 N64 O248 P8 W72 -","8","1","","Tian, Ai-Xiang; Yang, Yang; Ying, Jun; Li, Na; Lin, Xiao-Ling; Zhang, Ju-Wen; Wang, Xiu-Li","The key role of -CH3 steric hindrance in bis(pyrazolyl) ligand on polyoxometalate-based compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8405","8413","10.1039/c4dt00107a","","","0.71069","MoKα","","0.0907","0.0496","","","0.1147","0.1325","","","","","","1.068","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029893","10.4357","0.001","10.9498","0.001","27.725","0.003","91.852","0.007","93.653","0.007","110.591","0.007","2954.6","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H63.2 Cl O1.1 P2 Pt -","- C74 H63.2 Cl O1.1 P2 Pt -","- C148 H126.4 Cl2 O2.2 P4 Pt2 -","2","1","","Gauthier, Sébastien; Caro, Bertrand; Robin-Le Guen, Françoise; Bhuvanesh, Nattamai; Gladysz, John A.; Wojcik, Laurianne; Le Poul, Nicolas; Planchat, Aurélien; Pellegrin, Yann; Blart, Errol; Jacquemin, Denis; Odobel, Fabrice","Synthesis, photovoltaic performances and TD-DFT modeling of push-pull diacetylide platinum complexes in TiO2 based dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11233","11242","10.1039/c4dt00301b","","","1.54178","CuKα","","0.0272","0.0238","","","0.0568","0.0578","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030001","22.9576","0.001","5.8417","0.0003","43.823","0.004","90","","100.2","0.005","90","","5784.3","0.7","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C35 H30 N6 O2 -","- C35 H30 N6 O2 -","- C280 H240 N48 O16 -","8","1","","Kumar, Amit; Pandey, Rampal; Gupta, Rakesh Kumar; Mishra, Veenu; Mobin, Shaikh M.; Pandey, Daya Shankar","Swift photoswitching in a binuclear Zn(ii) metallacycle relative to a salen-type ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6365","6376","10.1039/c4dt00248b","","","0.71073","MoKα","","0.1162","0.0813","","","0.1763","0.1998","","","","","","1.014","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030002","13.0742","0.0008","15.6117","0.0012","17.5354","0.0011","82.851","0.006","68.389","0.006","77.788","0.006","3248","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C71.2 H58.4 Cl2.4 N12 O4 Zn2 -","- C71.2 H58.4 Cl2.4 N12 O4 Zn2 -","- C142.4 H116.8 Cl4.8 N24 O8 Zn4 -","2","1","","Kumar, Amit; Pandey, Rampal; Gupta, Rakesh Kumar; Mishra, Veenu; Mobin, Shaikh M.; Pandey, Daya Shankar","Swift photoswitching in a binuclear Zn(ii) metallacycle relative to a salen-type ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6365","6376","10.1039/c4dt00248b","","","1.54184","CuKα","","0.0994","0.0789","","","0.2216","0.2456","","","","","","1.035","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030003","9.8746","0.0009","22.0446","0.0019","9.7763","0.0008","90","","116.385","0.008","90","","1906.4","0.3","125","","125","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 F Se Te -","- C24 H17 F Se Te -","- C96 H68 F4 Se4 Te4 -","4","1","","Stanford, Martin W.; Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ashbrook, Sharon E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Probing interactions through space using spin-spin coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6548","6560","10.1039/c4dt00408f","","","0.71075","MoKα","","","0.0178","","","","0.0652","","","","","","1.261","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030004","10.8544","0.0012","12.2443","0.0013","17.5989","0.0019","106.37","0.008","92.585","0.007","114.888","0.008","1999.4","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 Se Te -","- C25 H20 Se Te -","- C100 H80 Se4 Te4 -","4","2","","Stanford, Martin W.; Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ashbrook, Sharon E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Probing interactions through space using spin-spin coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6548","6560","10.1039/c4dt00408f","","","0.71075","MoKα","","","0.0343","","","","0.0596","","","","","","1.034","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030005","8.212","0.005","11.442","0.0015","22.113","0.003","90","","99.96","0.04","90","","2046.5","1.3","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 O Se Te -","- C25 H20 O Se Te -","- C100 H80 O4 Se4 Te4 -","4","1","","Stanford, Martin W.; Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ashbrook, Sharon E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Probing interactions through space using spin-spin coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6548","6560","10.1039/c4dt00408f","","","0.71075","MoKα","","","0.0667","","","","0.1918","","","","","","1.065","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030006","8.645","0.004","14.625","0.007","17.253","0.009","109.466","0.012","97.975","0.01","93.276","0.006","2024.3","1.7","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 O Se Te -","- C25 H20 O Se Te -","- C100 H80 O4 Se4 Te4 -","4","2","","Stanford, Martin W.; Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ashbrook, Sharon E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Probing interactions through space using spin-spin coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6548","6560","10.1039/c4dt00408f","","","0.71075","MoKα","","","0.0655","","","","0.2857","","","","","","1.226","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030007","9.6561","0.0011","10.4924","0.0013","12.7951","0.0015","79.476","0.006","73.922","0.006","70.177","0.005","1166.2","0.2","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 Se Te -","- C28 H26 Se Te -","- C56 H52 Se2 Te2 -","2","1","","Stanford, Martin W.; Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ashbrook, Sharon E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Probing interactions through space using spin-spin coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6548","6560","10.1039/c4dt00408f","","","0.71075","MoKα","","","0.0239","","","","0.0752","","","","","","1.19","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030008","9.7619","0.0007","30.0473","0.0018","8.0836","0.0015","90","","113.571","0.008","90","","2173.2","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Se Te -","- C27 H24 Se Te -","- C108 H96 Se4 Te4 -","4","1","","Stanford, Martin W.; Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ashbrook, Sharon E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Probing interactions through space using spin-spin coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6548","6560","10.1039/c4dt00408f","","","0.71075","MoKα","","","0.0213","","","","0.0567","","","","","","1.146","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030009","14.6975","0.0012","14.3672","0.0013","14.8351","0.0013","90","","119.048","0.009","90","","2738.6","0.5","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 Se Te -","- C33 H36 Se Te -","- C132 H144 Se4 Te4 -","4","1","","Stanford, Martin W.; Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ashbrook, Sharon E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Probing interactions through space using spin-spin coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6548","6560","10.1039/c4dt00408f","","","0.71075","MoKα","","","0.0284","","","","0.1078","","","","","","1.288","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030010","29.375","0.003","7.6824","0.0008","19.0439","0.0019","90","","95.737","0.007","90","","4276.1","0.8","125","","125","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Se Te -","- C28 H20 Se Te -","- C224 H160 Se8 Te8 -","8","1","","Stanford, Martin W.; Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ashbrook, Sharon E.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Probing interactions through space using spin-spin coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6548","6560","10.1039/c4dt00408f","","","0.71075","MoKα","","","0.0248","","","","0.0539","","","","","","1.097","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030011","9.574","0.003","22.596","0.007","30.9","0.009","90","","90","","90","","6685","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H31 N3 Ni O7 -","- C36 H29 N3 Ni O7 -","- C288 H232 N24 Ni8 O56 -","8","1","","Sun, Ying-Ji; Huang, Qian-Qian; Zhang, Jian-Jun","A series of Ni(II)-flavonolate complexes as structural and functional ES (enzyme-substrate) models of the Ni(II)-containing quercetin 2,3-dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6480","6489","10.1039/c3dt53349b","","","0.71073","MoKα","","0.1526","0.0695","","","0.1866","0.2221","","","","","","1.003","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030012","8.9775","0.0006","17.6982","0.0014","23.2372","0.0016","90","","98.817","0.004","90","","3648.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Br N3 Ni O5 -","- C35 H26 Br N3 Ni O5 -","- C140 H104 Br4 N12 Ni4 O20 -","4","1","","Sun, Ying-Ji; Huang, Qian-Qian; Zhang, Jian-Jun","A series of Ni(II)-flavonolate complexes as structural and functional ES (enzyme-substrate) models of the Ni(II)-containing quercetin 2,3-dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6480","6489","10.1039/c3dt53349b","","","0.71073","MoKα","","0.1228","0.0708","","","0.1761","0.1968","","","","","","1.011","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030013","8.813","0.002","17.454","0.005","11.745","0.003","90","","99.292","0.004","90","","1782.9","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H28 N4 Ni O8 -","- C35 H26 N4 Ni O8 -","- C70 H52 N8 Ni2 O16 -","2","1","","Sun, Ying-Ji; Huang, Qian-Qian; Zhang, Jian-Jun","A series of Ni(II)-flavonolate complexes as structural and functional ES (enzyme-substrate) models of the Ni(II)-containing quercetin 2,3-dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6480","6489","10.1039/c3dt53349b","","","0.71073","MoKα","","0.0873","0.0664","","","0.1748","0.1883","","","","","","1.008","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030014","12.194","0.005","12.681","0.005","14.833","0.005","99.696","0.005","97.42","0.005","91.907","0.005","2238.4","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H48 N6 Ni2 O11 -","- C46 H48 N6 Ni2 O11 -","- C92 H96 N12 Ni4 O22 -","2","1","","Biswas, Rituparna; Diaz, Carmen; Bauzá, Antonio; Barceló-Oliver, Miquel; Frontera, Antonio; Ghosh, Ashutosh","Triple-bridged ferromagnetic nickel(ii) complexes: A combined experimental and theoretical DFT study on stabilization and magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6455","6467","10.1039/c3dt52764f","","x-ray","0.71073","MoKα","","0.0419","0.0307","","","0.0763","0.0816","","","","","","1.05","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030015","9.691","0.005","30.326","0.005","16.498","0.005","90","","95.9","0.005","90","","4823","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C93 H100 N12 Ni4 O23 -","- C93 H100 N12 Ni4 O23 -","- C186 H200 N24 Ni8 O46 -","2","0.5","","Biswas, Rituparna; Diaz, Carmen; Bauzá, Antonio; Barceló-Oliver, Miquel; Frontera, Antonio; Ghosh, Ashutosh","Triple-bridged ferromagnetic nickel(ii) complexes: A combined experimental and theoretical DFT study on stabilization and magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6455","6467","10.1039/c3dt52764f","","x-ray","0.71073","MoKα","","0.1973","0.1067","","","0.2534","0.3132","","","","","","1.024","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030016","12.597","0.005","20.605","0.005","14.151","0.005","90","","108.141","0.005","90","","3490","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 N8 Ni3 O19 -","- C62 H60 N8 Ni3 O19 -","- C124 H120 N16 Ni6 O38 -","2","0.5","","Biswas, Rituparna; Diaz, Carmen; Bauzá, Antonio; Barceló-Oliver, Miquel; Frontera, Antonio; Ghosh, Ashutosh","Triple-bridged ferromagnetic nickel(ii) complexes: A combined experimental and theoretical DFT study on stabilization and magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6455","6467","10.1039/c3dt52764f","","x-ray","0.71073","MoKα","","0.101","0.0688","","","0.2009","0.2255","","","","","","1.1","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030017","12.0837","0.0019","18.286","0.005","12.1","0.0013","90","","107.492","0.011","90","","2550","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Cu6 N12 O Se6 -","- C36 H42 Cu6 N12 O Se6 -","- C72 H84 Cu12 N24 O2 Se12 -","2","0.5","","Sharma, Rakesh K.; Wadawale, Amey; Kedarnath, G.; Manna, Debashree; Ghanty, Tapan K.; Vishwanadh, B.; Jain, Vimal K.","Synthesis, structures and DFT calculations of 2-(4,6-dimethyl pyrimidyl)selenolate complexes of Cu(i), Ag(i) and Au(i) and their conversion into metal selenide nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6525","6535","10.1039/c4dt00012a","","","0.71069","MoKα","","0.2159","0.0537","","","0.1148","0.1592","","","","","","0.96","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030018","22.157","0.006","22.157","0.006","22.197","0.006","90","","90","","120","","9437","4","298","2","298","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C42 H68 Ag6 N12 O7 Se6 -","- C42 H66 Ag6 N12 O7 Se6 -","- C252 H396 Ag36 N72 O42 Se36 -","6","0.166667","","Sharma, Rakesh K.; Wadawale, Amey; Kedarnath, G.; Manna, Debashree; Ghanty, Tapan K.; Vishwanadh, B.; Jain, Vimal K.","Synthesis, structures and DFT calculations of 2-(4,6-dimethyl pyrimidyl)selenolate complexes of Cu(i), Ag(i) and Au(i) and their conversion into metal selenide nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6525","6535","10.1039/c4dt00012a","","","0.71069","MoKα","","0.1536","0.0389","","","0.0713","0.0968","","","","","","0.928","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030019","8.9","0.005","8.9","0.005","42.382","0.014","90","","90","","90","","3357","3","298","2","298","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C12 H22 Au N2 P Se -","- C12 H22 Au N2 P Se -","- C96 H176 Au8 N16 P8 Se8 -","8","1","","Sharma, Rakesh K.; Wadawale, Amey; Kedarnath, G.; Manna, Debashree; Ghanty, Tapan K.; Vishwanadh, B.; Jain, Vimal K.","Synthesis, structures and DFT calculations of 2-(4,6-dimethyl pyrimidyl)selenolate complexes of Cu(i), Ag(i) and Au(i) and their conversion into metal selenide nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6525","6535","10.1039/c4dt00012a","","","0.71069","MoKα","","0.1921","0.0422","","","0.0818","0.119","","","","","","1.003","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030020","10.4576","0.001","10.4576","0.001","16.6823","0.0017","90","","90","","90","","1824.4","0.3","150","","150","","","","","","","","","6","P 42/n n m :2","-P 4ac 2bc","134","","","","- C26 H24 B2 F8 Fe N20 -","- C26 H24 B2 F8 Fe N20 -","- C52 H48 B4 F16 Fe2 N40 -","2","0.125","","Benson, Christopher R.; Hui, Alice K.; Parimal, Kumar; Cook, Brian J.; Chen, Chun-Hsing; Lord, Richard L.; Flood, Amar H.; Caulton, Kenneth G.","Multiplying the electron storage capacity of a bis-tetrazine pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6513","6524","10.1039/c4dt00341a","","","0.71073","MoKα","","0.1253","0.1142","","0.4223","0.3845","0.4223","","","","","","0.9965","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030021","3.9077","0.0004","26.893","0.002","5.4464","0.0005","90","","90.622","0.003","90","","572.33","0.09","150","","150","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C11 H9 N9 -","- C11 H9 N9 -","- C22 H18 N18 -","2","0.5","","Benson, Christopher R.; Hui, Alice K.; Parimal, Kumar; Cook, Brian J.; Chen, Chun-Hsing; Lord, Richard L.; Flood, Amar H.; Caulton, Kenneth G.","Multiplying the electron storage capacity of a bis-tetrazine pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6513","6524","10.1039/c4dt00341a","","","0.71073","MoKα","","0.0741","0.0553","","0.1814","0.1534","0.1814","","","","","","1.0848","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030022","14.9351","0.0007","15.2381","0.0007","23.2704","0.001","90","","90","","90","","5295.9","0.4","170","2","170","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Cu F6 N4 O7 S2 -","- C20 H20 Cu F6 N4 O7 S2 -","- C160 H160 Cu8 F48 N32 O56 S16 -","8","1","","Porras Gutiérrez, Ana Gabriela; Zeitouny, Joceline; Gomila, Antoine; Douziech, Bénédicte; Cosquer, Nathalie; Conan, Françoise; Reinaud, Olivia; Hapiot, Philippe; Le Mest, Yves; Lagrost, Corinne; Le Poul, Nicolas","Insights into water coordination associated with the Cu(II)/Cu(I) electron transfer at a biomimetic Cu centre.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6436","6445","10.1039/c3dt53548g","","","0.71073","MoKα","","0.0499","0.0394","","","0.1065","0.1121","","","","","","1.089","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7030023","8.4832","0.0012","11.8088","0.0016","15.522","0.002","72.944","0.002","81.433","0.002","69.411","0.002","1389.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 N2 O6 Rh S -","- C28 H32 N2 O6 Rh S -","- C56 H64 N4 O12 Rh2 S2 -","2","1","","Yu, Wei-Bin; He, Qing-Ya; Shi, Hua-Tian; Jia, Juan-Ying; Wei, Xianwen","Azo-conjugated half-sandwich Rh/Ru complexes for homogeneous water-oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6561","6566","10.1039/c4dt00055b","","","0.71073","MoKα","","0.0465","0.0391","","","0.1213","0.1298","","","","","","0.968","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030024","8.1613","0.0019","23.432","0.005","14.284","0.003","90","","100.121","0.003","90","","2689.1","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O6 Ru S -","- C27 H30 N2 O6 Ru S -","- C108 H120 N8 O24 Ru4 S4 -","4","1","","Yu, Wei-Bin; He, Qing-Ya; Shi, Hua-Tian; Jia, Juan-Ying; Wei, Xianwen","Azo-conjugated half-sandwich Rh/Ru complexes for homogeneous water-oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6561","6566","10.1039/c4dt00055b","","","0.71073","MoKα","","0.0807","0.0556","","","0.1579","0.1747","","","","","","1.052","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030025","34.2225","0.0006","8.2604","0.0002","21.3491","0.0004","90","","100.531","0.002","90","","5933.6","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H32 Cl3 Cu N5 O16 -","- C19 H32 Cl3 Cu N5 O16 -","- C152 H256 Cl24 Cu8 N40 O128 -","8","1","","Ho, Yi-Hsueh; Chang, Mu-Chieh; Yu, Kuo-Hsuan; Liu, Yi-Hung; Wang, Yu; Cheng, Yuan-Chung; Chen, Jwu-Ting","CO2 fixation by dicopper(ii) complexes in hypodentate framework of N8O2.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6287","6290","10.1039/c3dt53497a","","","0.71073","MoKα","","0.0588","0.049","","","0.1367","0.145","","","","","","1.025","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030026","12.8818","0.0002","14.6633","0.0002","15.9762","0.0002","72.159","0.001","79.431","0.001","75.616","0.001","2763.66","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H96 Cl6 Cu8 N23 O36 -","- C84 H96 Cl6 Cu8 N23 O36 -","- C84 H96 Cl6 Cu8 N23 O36 -","1","0.5","","Ho, Yi-Hsueh; Chang, Mu-Chieh; Yu, Kuo-Hsuan; Liu, Yi-Hung; Wang, Yu; Cheng, Yuan-Chung; Chen, Jwu-Ting","CO2 fixation by dicopper(ii) complexes in hypodentate framework of N8O2.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6287","6290","10.1039/c3dt53497a","","","0.71073","MoKα","","0.0941","0.0732","","","0.2365","0.2539","","","","","","1.085","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030027","6.932","0.005","12.876","0.008","7.444","0.005","90","","94.55","0.007","90","","662.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C2 H16 F12 N3 V3 -","- C2 H16 F12 N3 V3 -","- C4 H32 F24 N6 V6 -","2","0.5","","Aidoudi, Farida H.; Downie, Lewis J.; Morris, Russell E.; A de Vries, Mark; Lightfoot, Philip","A hybrid vanadium fluoride with structurally isolated S = 1 kagome layers.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6304","6307","10.1039/c4dt00452c","","","0.7749","synchrotron","","0.0807","0.0756","","","0.1911","0.1961","","","","","","1","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030028","12.27","0.004","12.27","0.004","12.723","0.004","90","","90","","90","","1915.5","1.1","173","2","173","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- F4 H4 N V -","- F4 H4 N V -","- F80 H80 N20 V20 -","20","1.25","","Aidoudi, Farida H.; Downie, Lewis J.; Morris, Russell E.; A de Vries, Mark; Lightfoot, Philip","A hybrid vanadium fluoride with structurally isolated S = 1 kagome layers.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6304","6307","10.1039/c4dt00452c","","","1.54184","CuKα","","0.0195","0.0194","","","0.0508","0.0509","","","","","","1.195","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030029","22.038","0.002","14.0363","0.0013","25.925","0.003","90","","112.384","0.002","90","","7415.2","1.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C62 H64 F24 N18 P4 Ru2 -","- C62 H64 F24 N18 P4 Ru2 -","- C248 H256 F96 N72 P16 Ru8 -","4","1","","Pal, Amlan K.; Hanan, Garry S.","Stereoselective formation of a meso-diruthenium(ii,ii) complex and tuning the properties of its monoruthenium analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6567","6577","10.1039/c4dt00112e","","","1.54178","CuKα","","0.0384","0.0382","","","0.1008","0.1011","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030030","16.23","0.0002","23.4755","0.0004","8.9782","0.0001","90","","90","","90","","3420.76","0.08","150","2","150","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C18 H26 N8 -","- C18 H26 N8 -","- C144 H208 N64 -","8","0.5","","Pal, Amlan K.; Hanan, Garry S.","Stereoselective formation of a meso-diruthenium(ii,ii) complex and tuning the properties of its monoruthenium analogues.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6567","6577","10.1039/c4dt00112e","","","1.54178","CuKα","","0.0335","0.033","","","0.0846","0.085","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030031","13.0063","0.0003","15.7472","0.0004","20.9693","0.0005","84.7981","0.0011","86.8527","0.0012","83.0374","0.001","4241.36","0.18","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H55 N3 Si2 Zn -","- C48 H55 N3 Si2 Zn -","- C192 H220 N12 Si8 Zn4 -","4","2","","Whitehorne, Todd J. J.; Vabre, Boris; Schaper, Frank","Lactide polymerization catalyzed by Mg and Zn diketiminate complexes with flexible ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6339","6352","10.1039/c3dt53278j","","","1.54178","CuKα","","0.0449","0.0404","","","0.1144","0.1181","","","","","","0.913","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030032","11.8196","0.0004","12.4402","0.0005","12.4806","0.0005","95.05","0.001","115.269","0.002","92.814","0.001","1645.42","0.11","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C78 H76 Cl4 N4 O2 Zn2 -","- C78 H76 Cl4 N4 O2 Zn2 -","- C78 H76 Cl4 N4 O2 Zn2 -","1","0.5","","Whitehorne, Todd J. J.; Vabre, Boris; Schaper, Frank","Lactide polymerization catalyzed by Mg and Zn diketiminate complexes with flexible ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6339","6352","10.1039/c3dt53278j","","","1.54178","CuKα","","0.0554","0.0544","","","0.1395","0.1405","","","","","","1.041","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030033","16.1631","0.001","11.1671","0.0007","13.9253","0.0009","90","","90","","90","","2513.4","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","3","P b c n","-P 2n 2ab","60","","","","- C35 H30 N2 -","- C35 H30 N2 -","- C140 H120 N8 -","4","0.5","","Whitehorne, Todd J. J.; Vabre, Boris; Schaper, Frank","Lactide polymerization catalyzed by Mg and Zn diketiminate complexes with flexible ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6339","6352","10.1039/c3dt53278j","","","1.54178","CuKα","","0.0617","0.0511","","","0.111","0.1193","","","","","","1.04","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030034","9.1499","0.0002","22.1705","0.0003","10.8809","0.0002","90","","95.103","0.001","90","","2198.53","0.07","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 Cl2 Mg2 N4 O2 -","- C46 H58 Cl2 Mg2 N4 O2 -","- C92 H116 Cl4 Mg4 N8 O4 -","2","0.5","","Whitehorne, Todd J. J.; Vabre, Boris; Schaper, Frank","Lactide polymerization catalyzed by Mg and Zn diketiminate complexes with flexible ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6339","6352","10.1039/c3dt53278j","","","1.54178","CuKα","","0.0664","0.058","","","0.1553","0.1828","","","","","","1.15","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030035","14.5416","0.0005","11.1177","0.0004","20.7327","0.0007","90","","95.64","0.002","90","","3335.6","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Cl2 Mg N4 -","- C38 H40 Cl2 Mg N4 -","- C152 H160 Cl8 Mg4 N16 -","4","1","","Whitehorne, Todd J. J.; Vabre, Boris; Schaper, Frank","Lactide polymerization catalyzed by Mg and Zn diketiminate complexes with flexible ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6339","6352","10.1039/c3dt53278j","","","1.54178","CuKα","","0.0431","0.0391","","","0.1075","0.1108","","","","","","1.053","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030036","17.4882","0.0002","18.0767","0.0002","10.3297","0.0001","90","","90","","90","","3265.52","0.06","100","","100","","","","","","","","Synthesized by the authors. See text","5","P n m a","-P 2ac 2n","62","","","","- C15.5 H25.5 Mg0.5 N1.5 Si -","- C15.5 H25.5 Mg0.5 N1.5 Si -","- C124 H204 Mg4 N12 Si8 -","8","1","","Whitehorne, Todd J. J.; Vabre, Boris; Schaper, Frank","Lactide polymerization catalyzed by Mg and Zn diketiminate complexes with flexible ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6339","6352","10.1039/c3dt53278j","","","1.54178","CuKα","","0.0346","0.0338","","","0.0952","0.0959","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030037","11.4629","0.0005","12.8758","0.0006","14.0056","0.0006","92.665","0.003","98.376","0.003","96.507","0.003","2027.74","0.16","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H49 Cl2 Mg N3 Si2 -","- C42 H49 Cl2 Mg N3 Si2 -","- C84 H98 Cl4 Mg2 N6 Si4 -","2","1","","Whitehorne, Todd J. J.; Vabre, Boris; Schaper, Frank","Lactide polymerization catalyzed by Mg and Zn diketiminate complexes with flexible ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6339","6352","10.1039/c3dt53278j","","","1.54178","CuKα","","0.0696","0.054","","","0.1443","0.1528","","","","","","1.012","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030038","14.42","0.0005","16.6394","0.0006","17.08","0.0006","72.642","0.002","73.431","0.002","67.467","0.002","3544.4","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C84.5 H73 Cl5 Mg2 N4 O2 -","- C84.5 H73 Cl5 Mg2 N4 O2 -","- C169 H146 Cl10 Mg4 N8 O4 -","2","1","","Whitehorne, Todd J. J.; Vabre, Boris; Schaper, Frank","Lactide polymerization catalyzed by Mg and Zn diketiminate complexes with flexible ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6339","6352","10.1039/c3dt53278j","","","1.54178","CuKα","","0.0616","0.0491","","","0.1384","0.1468","","","","","","1.078","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030039","15.0133","0.0008","17.0252","0.0009","22.8695","0.0013","90","","102.436","0.002","90","","5708.4","0.5","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H43 Cl Mg N2 O -","- C29.5 H43 Cl Mg N2 O -","- C236 H344 Cl8 Mg8 N16 O8 -","8","2","","Whitehorne, Todd J. J.; Vabre, Boris; Schaper, Frank","Lactide polymerization catalyzed by Mg and Zn diketiminate complexes with flexible ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6339","6352","10.1039/c3dt53278j","","","1.54178","CuKα","","0.0612","0.0562","","","0.1547","0.1593","","","","","","1.042","","","","has coordinates,has disorder","189199","2020-10-21","18:00:00",""
"7030040","12.5041","0.0008","14.3017","0.0008","18.1609","0.001","104.305","0.002","109.464","0.002","100.227","0.002","2844.6","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C70 H56 Cl2 Mg N4 -","- C70 H56 Cl2 Mg N4 -","- C140 H112 Cl4 Mg2 N8 -","2","1","","Whitehorne, Todd J. J.; Vabre, Boris; Schaper, Frank","Lactide polymerization catalyzed by Mg and Zn diketiminate complexes with flexible ligand frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6339","6352","10.1039/c3dt53278j","","","1.54178","CuKα","","0.051","0.0476","","","0.136","0.1392","","","","","","1.036","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030041","16.6279","0.0016","16.2342","0.001","13.1308","0.0012","90","","122.054","0.013","90","","3004.2","0.6","183","2","183","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Cl3 N4 O Rh S -","- C9 H12 Cl3 N4 O Rh S -","- C72 H96 Cl24 N32 O8 Rh8 S8 -","8","1","","Cánaves, María M; Cabra, María I; Bauzá, Antonio; Cañellas, Pablo; Sánchez, Kika; Orvay, Francisca; García-Raso, Angel; Fiol, Juan J.; Terrón, Angel; Barceló-Oliver, Miquel; Ballester, Pablo; Mata, Ignasi; Molins, Elies; Hussain, Firasat; Frontera, Antonio","Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6353","6364","10.1039/c3dt52700j","","x-ray","0.71073","MoKα","","0.0588","0.044","","","0.087","0.092","","","","","","1.129","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030042","16.718","0.005","16.23","0.004","13.167","0.004","90","","122.42","0.02","90","","3015.8","1.6","294","2","294","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Cl3 N4 O Ru S -","- C9 H12 Cl3 N4 O Ru S -","- C72 H96 Cl24 N32 O8 Ru8 S8 -","8","1","","Cánaves, María M; Cabra, María I; Bauzá, Antonio; Cañellas, Pablo; Sánchez, Kika; Orvay, Francisca; García-Raso, Angel; Fiol, Juan J.; Terrón, Angel; Barceló-Oliver, Miquel; Ballester, Pablo; Mata, Ignasi; Molins, Elies; Hussain, Firasat; Frontera, Antonio","Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6353","6364","10.1039/c3dt52700j","","x-ray","0.71073","MoKα","","0.0561","0.0381","","","0.0868","0.0932","","","","","","1.078","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030043","18.238","","7.693","","10.678","","90","","90","","90","","1498.18","","293","2","293","2","","","","","","","synthesis as described","7","P n a 21","P 2c -2n","33","","","","- C9 H12 Cl3 N4 O Ru S -","- C9 H12 Cl3 N4 O Ru S -","- C36 H48 Cl12 N16 O4 Ru4 S4 -","4","1","","Cánaves, María M; Cabra, María I; Bauzá, Antonio; Cañellas, Pablo; Sánchez, Kika; Orvay, Francisca; García-Raso, Angel; Fiol, Juan J.; Terrón, Angel; Barceló-Oliver, Miquel; Ballester, Pablo; Mata, Ignasi; Molins, Elies; Hussain, Firasat; Frontera, Antonio","Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6353","6364","10.1039/c3dt52700j","","x-ray","0.71073","MoKα","","0.0472","0.0439","","","0.1124","0.1158","","","","","","1.118","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030044","11.9417","0.0019","8.8004","0.0013","31.028","0.005","90","","91.687","0.006","90","","3259.4","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cl6 Ir2 N8 O3 S2 -","- C20 H30 Cl6 Ir2 N8 O3 S2 -","- C80 H120 Cl24 Ir8 N32 O12 S8 -","4","1","","Cánaves, María M; Cabra, María I; Bauzá, Antonio; Cañellas, Pablo; Sánchez, Kika; Orvay, Francisca; García-Raso, Angel; Fiol, Juan J.; Terrón, Angel; Barceló-Oliver, Miquel; Ballester, Pablo; Mata, Ignasi; Molins, Elies; Hussain, Firasat; Frontera, Antonio","Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6353","6364","10.1039/c3dt52700j","","","0.71073","MoKα","","0.0773","0.0527","","","0.0971","0.1091","","","","","","1.036","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030045","6.79","0.0005","8.0111","0.0005","26.8108","0.0017","90","","90.555","0.002","90","","1458.31","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Cl3 Ir N4 O S -","- C9 H12 Cl3 Ir N4 O S -","- C36 H48 Cl12 Ir4 N16 O4 S4 -","4","1","","Cánaves, María M; Cabra, María I; Bauzá, Antonio; Cañellas, Pablo; Sánchez, Kika; Orvay, Francisca; García-Raso, Angel; Fiol, Juan J.; Terrón, Angel; Barceló-Oliver, Miquel; Ballester, Pablo; Mata, Ignasi; Molins, Elies; Hussain, Firasat; Frontera, Antonio","Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6353","6364","10.1039/c3dt52700j","","","0.71073","MoKα","","0.0529","0.0463","","","0.1049","0.1128","","","","","","1.113","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030046","9.575","0.003","18.929","0.005","9.702","0.003","90","","91.19","0.02","90","","1758.1","0.9","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 Cl2 N4 O2 Ru S2 -","- C11 H18 Cl2 N4 O2 Ru S2 -","- C44 H72 Cl8 N16 O8 Ru4 S8 -","4","1","","Cánaves, María M; Cabra, María I; Bauzá, Antonio; Cañellas, Pablo; Sánchez, Kika; Orvay, Francisca; García-Raso, Angel; Fiol, Juan J.; Terrón, Angel; Barceló-Oliver, Miquel; Ballester, Pablo; Mata, Ignasi; Molins, Elies; Hussain, Firasat; Frontera, Antonio","Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6353","6364","10.1039/c3dt52700j","","x-ray","0.71073","MoKα","","0.0711","0.0424","","","0.0932","0.1008","","","","","","1.106","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030047","7.9179","0.0008","12.1128","0.0016","17.981","0.002","90","","90","","90","","1724.5","0.3","294","2","294","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 Cl2 N4 O2 Ru S2 -","- C11 H18 Cl2 N4 O2 Ru S2 -","- C44 H72 Cl8 N16 O8 Ru4 S8 -","4","1","","Cánaves, María M; Cabra, María I; Bauzá, Antonio; Cañellas, Pablo; Sánchez, Kika; Orvay, Francisca; García-Raso, Angel; Fiol, Juan J.; Terrón, Angel; Barceló-Oliver, Miquel; Ballester, Pablo; Mata, Ignasi; Molins, Elies; Hussain, Firasat; Frontera, Antonio","Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6353","6364","10.1039/c3dt52700j","","x-ray","0.71073","MoKα","","0.0222","0.0208","","","0.0575","0.0585","","","","","","1.193","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030048","17.8313","0.0016","7.6272","0.0007","10.681","0.0009","90","","90","","90","","1452.6","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C9 H12 Cl3 N4 O Rh S -","- C9 H12 Cl3 N4 O Rh S -","- C36 H48 Cl12 N16 O4 Rh4 S4 -","4","1","","Cánaves, María M; Cabra, María I; Bauzá, Antonio; Cañellas, Pablo; Sánchez, Kika; Orvay, Francisca; García-Raso, Angel; Fiol, Juan J.; Terrón, Angel; Barceló-Oliver, Miquel; Ballester, Pablo; Mata, Ignasi; Molins, Elies; Hussain, Firasat; Frontera, Antonio","Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6353","6364","10.1039/c3dt52700j","","","0.71073","MoKα","","0.0226","0.0219","","","0.0578","0.0584","","","","","","1.051","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030049","17.1044","0.0006","9.5727","0.0003","17.7156","0.0006","90","","102.776","0.002","90","","2828.85","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 F4 Ir N7 -","- C34 H20 F4 Ir N7 -","- C136 H80 F16 Ir4 N28 -","4","1","","Sykes, Daniel; Cankut, Ahmet J.; Ali, Noorshida Mohd; Stephenson, Andrew; Spall, Steven J. P.; Parker, Simon C.; Weinstein, Julia A.; Ward, Michael D.","Sensitisation of Eu(iii)- and Tb(iii)-based luminescence by Ir(iii) units in Ir/lanthanide dyads: evidence for parallel energy-transfer and electron-transfer based mechanisms.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6414","6428","10.1039/c4dt00292j","","","0.71073","MoKα","","0.0685","0.0393","","","0.0854","0.1002","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030050","18.9728","0.0008","11.4267","0.0006","22.2515","0.001","90","","109.572","0.003","90","","4545.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cl2 F4 Ir N9 O6 -","- C48 H36 Cl2 F4 Ir N9 O6 -","- C192 H144 Cl8 F16 Ir4 N36 O24 -","4","1","","Sykes, Daniel; Cankut, Ahmet J.; Ali, Noorshida Mohd; Stephenson, Andrew; Spall, Steven J. P.; Parker, Simon C.; Weinstein, Julia A.; Ward, Michael D.","Sensitisation of Eu(iii)- and Tb(iii)-based luminescence by Ir(iii) units in Ir/lanthanide dyads: evidence for parallel energy-transfer and electron-transfer based mechanisms.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6414","6428","10.1039/c4dt00292j","","","0.71073","MoKα","","0.0972","0.0448","","","0.1007","0.1308","","","","","","1.057","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030051","11.5743","0.0003","24.4342","0.0007","16.6139","0.0005","90","","101.889","0.002","90","","4597.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 Cl6 F4 Ir N9 O3 -","- C44 H34 Cl6 F4 Ir N9 O3 -","- C176 H136 Cl24 F16 Ir4 N36 O12 -","4","1","","Sykes, Daniel; Cankut, Ahmet J.; Ali, Noorshida Mohd; Stephenson, Andrew; Spall, Steven J. P.; Parker, Simon C.; Weinstein, Julia A.; Ward, Michael D.","Sensitisation of Eu(iii)- and Tb(iii)-based luminescence by Ir(iii) units in Ir/lanthanide dyads: evidence for parallel energy-transfer and electron-transfer based mechanisms.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6414","6428","10.1039/c4dt00292j","","","0.71073","MoKα","","0.0664","0.0392","","","0.1023","0.1494","","","","","","1.136","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030052","11.392","0.0007","10.5969","0.0006","12.6402","0.0008","90","","95.99","0.003","90","","1517.59","0.16","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","1","","Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.","A homoleptic η(2) hydroxylaminato Ce(IV) complex with S4 symmetry.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6300","6303","10.1039/c4dt00287c","","","0.71073","MoKα","","0.0393","0.0347","","","0.0922","0.0959","","","","","","1.062","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030053","16.9469","0.0014","16.9469","0.0014","10.784","0.0011","90","","90","","90","","3097.1","0.5","100","1","100","1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H96 Ce N4 O8 -","- C60 H96 Ce N4 O8 -","- C120 H192 Ce2 N8 O16 -","2","0.25","","Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.","A homoleptic η(2) hydroxylaminato Ce(IV) complex with S4 symmetry.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6300","6303","10.1039/c4dt00287c","","","0.71073","MoKα","","0.0593","0.0362","","","0.0889","0.1032","","","","","","1.076","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030054","8.7906","0.0018","9.799","0.002","20.206","0.004","101.78","0.03","95.46","0.03","99.72","0.03","1664.2","0.7","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H48 Cu2 N12 O24 -","- C76 H48 Cu2 N12 O24 -","- C76 H48 Cu2 N12 O24 -","1","0.5","","Kitchen, Jonathan A.; Martinho, Paulo N.; Morgan, Grace G.; Gunnlaugsson, Thorfinnur","Synthesis, crystal structure and EPR spectroscopic analysis of novel copper complexes formed from N-pyridyl-4-nitro-1,8-naphthalimide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6468","6479","10.1039/c3dt53323a","","","0.71073","MoKα","","0.0483","0.0433","","","0.0988","0.1019","","","","","","1.097","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030055","15.707","0.003","8.125","0.0016","16.943","0.003","90","","99.55","0.03","90","","2132.3","0.7","108","2","108","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cl2 Cu N8 O18 -","- C40 H32 Cl2 Cu N8 O18 -","- C80 H64 Cl4 Cu2 N16 O36 -","2","0.5","","Kitchen, Jonathan A.; Martinho, Paulo N.; Morgan, Grace G.; Gunnlaugsson, Thorfinnur","Synthesis, crystal structure and EPR spectroscopic analysis of novel copper complexes formed from N-pyridyl-4-nitro-1,8-naphthalimide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6468","6479","10.1039/c3dt53323a","","","0.71073","MoKα","","0.0369","0.0322","","","0.1054","0.1296","","","","","","1.183","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030056","29.276","0.006","9.6019","0.0019","15.263","0.003","90","","103.34","0.03","90","","4174.7","1.5","108","2","108","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Br N3 O4 -","- C24 H16 Br N3 O4 -","- C192 H128 Br8 N24 O32 -","8","1","","Kitchen, Jonathan A.; Martinho, Paulo N.; Morgan, Grace G.; Gunnlaugsson, Thorfinnur","Synthesis, crystal structure and EPR spectroscopic analysis of novel copper complexes formed from N-pyridyl-4-nitro-1,8-naphthalimide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6468","6479","10.1039/c3dt53323a","","","0.71073","MoKα","","0.1115","0.0764","","","0.1729","0.1943","","","","","","1.131","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030057","7.2517","0.0015","25.162","0.005","12.801","0.003","90","","102.23","0.03","90","","2282.8","0.9","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Br N4 O4 -","- C26 H19 Br N4 O4 -","- C104 H76 Br4 N16 O16 -","4","1","","Kitchen, Jonathan A.; Martinho, Paulo N.; Morgan, Grace G.; Gunnlaugsson, Thorfinnur","Synthesis, crystal structure and EPR spectroscopic analysis of novel copper complexes formed from N-pyridyl-4-nitro-1,8-naphthalimide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6468","6479","10.1039/c3dt53323a","","","0.71073","MoKα","","0.1003","0.0885","","","0.2217","0.2315","","","","","","1.13","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030058","8.739","0.0017","9.088","0.0018","17.536","0.004","99.75","0.03","94.3","0.03","118.3","0.03","1189","0.6","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 Cu2 N8 O16 -","- C46 H36 Cu2 N8 O16 -","- C46 H36 Cu2 N8 O16 -","1","0.5","","Kitchen, Jonathan A.; Martinho, Paulo N.; Morgan, Grace G.; Gunnlaugsson, Thorfinnur","Synthesis, crystal structure and EPR spectroscopic analysis of novel copper complexes formed from N-pyridyl-4-nitro-1,8-naphthalimide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6468","6479","10.1039/c3dt53323a","","","0.71073","MoKα","","0.1355","0.12","","","0.3304","0.3505","","","","","","1.209","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030059","11.966","0.002","14.668","0.003","15.581","0.003","109.59","0.03","103.35","0.03","93.41","0.03","2478.7","1.1","121","2","121","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H30 Cu F3 N10 O15 S -","- C54 H30 Cu F3 N10 O15 S -","- C108 H60 Cu2 F6 N20 O30 S2 -","2","1","","Kitchen, Jonathan A.; Martinho, Paulo N.; Morgan, Grace G.; Gunnlaugsson, Thorfinnur","Synthesis, crystal structure and EPR spectroscopic analysis of novel copper complexes formed from N-pyridyl-4-nitro-1,8-naphthalimide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6468","6479","10.1039/c3dt53323a","","","0.71073","MoKα","","0.0837","0.0774","","","0.1845","0.1888","","","","","","1.181","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030060","16.8867","0.0006","15.6956","0.0006","21.8725","0.0008","90","","106.957","0.002","90","","5545.2","0.4","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H56 B2 F8 Fe N4 P4 -","- C58 H56 B2 F8 Fe N4 P4 -","- C232 H224 B8 F32 Fe4 N16 P16 -","4","1","","Gluyas, Josef B. G.; Boden, Andrew J.; Eaves, Samantha G.; Yu, Herrick; Low, Paul J.","Long range charge transfer in trimetallic mixed-valence iron complexes mediated by redox non-innocent cyanoacetylide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6291","6294","10.1039/c4dt00614c","","x-ray","0.71073","MoKα","","0.0606","0.039","","","0.0928","0.1034","","","","","","0.998","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030088","8.608","0.005","8.608","0.005","29.162","0.005","90","","90","","120","","1871.3","1.6","200","2","200","2","","","","","","","","5","P 31 2 1","P 31 2""","152","Damian (5) Znmepyd (2nd try)","bis(N-ethyl-N-phenyldithiocarbamato-k^2^S,S')(pyridine)zinc (II)","","- C23 H25 N3 S4 Zn -","- C23 H25 N3 S4 Zn -","- C69 H75 N9 S12 Zn3 -","3","0.5","","Onwudiwe, Damian C.; Strydom, Christien A.; Oluwafemi, Oluwatobi S.; Hosten, Eric; Jordaan, Anine","Synthesis, spectral and thermal studies of pyridyl adducts of Zn(ii) and Cd(ii) dithiocarbamates, and their use as single source precursors for ZnS and CdS nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8703","8712","10.1039/c4dt00610k","","","0.71069","MoKα","","0.0252","0.023","","","0.0528","0.0535","","","","","","1.065","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030089","15.729","0.002","15.729","0.002","30.451","0.006","90","","90","","120","","6524.3","1.7","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C63 H46 N6 O48 Pb10 -","- C63 H42 N6 O48 Pb10 -","- C189 H126 N18 O144 Pb30 -","3","0.5","","Han, Yun-Hu; Tian, Chong-Bin; Du, Shao-Wu","An unusual chiral 3D inorganic connectivity featuring a {Pb18} wheel: rapid and highly selective and sensitive sensing of Co(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11461","11464","10.1039/c4dt00905c","","","0.71073","MoKα","","0.0693","0.0679","","","0.1777","0.1789","","","","","","0.981","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030090","15.6516","0.0006","15.6516","0.0006","30.325","0.002","90","","90","","120","","6433.5","0.5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C63 H46 N6 O48 Pb10 -","- C63 H42 N6 O48 Pb10 -","- C189 H126 N18 O144 Pb30 -","3","0.5","","Han, Yun-Hu; Tian, Chong-Bin; Du, Shao-Wu","An unusual chiral 3D inorganic connectivity featuring a {Pb18} wheel: rapid and highly selective and sensitive sensing of Co(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11461","11464","10.1039/c4dt00905c","","","0.71073","MoKα","","0.0819","0.0787","","","0.1855","0.188","","","","","","0.998","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030091","10.612","0.0014","10.1775","0.0013","24.139","0.003","90","","100.781","0.001","90","","2561.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Br Cl N3 Pd -","- C28 H23 Br Cl N3 Pd -","- C112 H92 Br4 Cl4 N12 Pd4 -","4","1","","Xu, Chen; Li, Hong-Mei; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Tang, Si-Fu; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","Cyclometalated Pd(ii) and Ir(iii) 2-(4-bromophenyl)pyridine complexes with N-heterocyclic carbenes (NHCs) and acetylacetonate (acac): synthesis, structures, luminescent properties and application in one-pot oxidation/Suzuki coupling of aryl chlorides containing hydroxymethyl.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10235","10247","10.1039/c4dt00833b","","","0.71073","MoKα","","0.03","0.0219","","","0.0518","0.0553","","","","","","1.017","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030092","10.819","0.003","11.915","0.003","12.495","0.004","92.324","0.003","101.45","0.003","113.413","0.003","1435.8","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C28.5 H24 Br Cl2 N3 O2 Pd -","- C28.5 H24 Br Cl2 N3 O2 Pd -","- C57 H48 Br2 Cl4 N6 O4 Pd2 -","2","1","","Xu, Chen; Li, Hong-Mei; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Tang, Si-Fu; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","Cyclometalated Pd(ii) and Ir(iii) 2-(4-bromophenyl)pyridine complexes with N-heterocyclic carbenes (NHCs) and acetylacetonate (acac): synthesis, structures, luminescent properties and application in one-pot oxidation/Suzuki coupling of aryl chlorides containing hydroxymethyl.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10235","10247","10.1039/c4dt00833b","","","0.71073","MoKα","","0.0355","0.0296","","","0.0808","0.085","","","","","","1.023","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030093","18.7297","0.0003","11.47367","0.00016","27.2057","0.0003","90","","92.139","0.0012","90","","5842.39","0.14","291","2","291.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H31 Br Cl N3 Pd -","- C32 H31 Br Cl N3 Pd -","- C256 H248 Br8 Cl8 N24 Pd8 -","8","1","","Xu, Chen; Li, Hong-Mei; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Tang, Si-Fu; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","Cyclometalated Pd(ii) and Ir(iii) 2-(4-bromophenyl)pyridine complexes with N-heterocyclic carbenes (NHCs) and acetylacetonate (acac): synthesis, structures, luminescent properties and application in one-pot oxidation/Suzuki coupling of aryl chlorides containing hydroxymethyl.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10235","10247","10.1039/c4dt00833b","","","1.5418","CuKα","","0.0437","0.0375","","","0.0954","0.1007","","","","","","1.035","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030094","11.276","0.002","12.149","0.002","12.74","0.003","89.52","0.002","76.362","0.002","70.109","0.002","1589.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Br N O2 Pd -","- C16 H14 Br N O2 Pd -","- C64 H56 Br4 N4 O8 Pd4 -","4","2","","Xu, Chen; Li, Hong-Mei; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Tang, Si-Fu; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","Cyclometalated Pd(ii) and Ir(iii) 2-(4-bromophenyl)pyridine complexes with N-heterocyclic carbenes (NHCs) and acetylacetonate (acac): synthesis, structures, luminescent properties and application in one-pot oxidation/Suzuki coupling of aryl chlorides containing hydroxymethyl.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10235","10247","10.1039/c4dt00833b","","","0.71073","MoKα","","0.0812","0.0545","","","0.1407","0.1603","","","","","","1.025","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030095","16.6765","0.0014","16.6765","0.0014","32.62","0.006","90","","90","","90","","9072","2","296","2","296","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C22.5 H15 Br2 Cl2 Ir N2 -","- C22.5 H15 Br2 Cl2 Ir N2 -","- C360 H240 Br32 Cl32 Ir16 N32 -","16","1","","Xu, Chen; Li, Hong-Mei; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Tang, Si-Fu; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","Cyclometalated Pd(ii) and Ir(iii) 2-(4-bromophenyl)pyridine complexes with N-heterocyclic carbenes (NHCs) and acetylacetonate (acac): synthesis, structures, luminescent properties and application in one-pot oxidation/Suzuki coupling of aryl chlorides containing hydroxymethyl.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10235","10247","10.1039/c4dt00833b","","","0.71073","MoKα","","0.0545","0.0444","","","0.1087","0.1135","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030096","11.48","0.003","16.018","0.004","16.194","0.004","90","","105.11","0.003","90","","2874.9","1.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 Br2 Cl2 Ir N2 O2 -","- C28 H23 Br2 Cl2 Ir N2 O2 -","- C112 H92 Br8 Cl8 Ir4 N8 O8 -","4","1","","Xu, Chen; Li, Hong-Mei; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Tang, Si-Fu; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","Cyclometalated Pd(ii) and Ir(iii) 2-(4-bromophenyl)pyridine complexes with N-heterocyclic carbenes (NHCs) and acetylacetonate (acac): synthesis, structures, luminescent properties and application in one-pot oxidation/Suzuki coupling of aryl chlorides containing hydroxymethyl.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10235","10247","10.1039/c4dt00833b","","","0.71073","MoKα","","0.0943","0.0604","","","0.1586","0.1826","","","","","","1.068","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030097","30.583","0.019","6.321","0.004","10.333","0.006","90","","90","","90","","1998","2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H21 Fe N O -","- C26 H21 Fe N O -","- C104 H84 Fe4 N4 O4 -","4","1","","Xu, Chen; Li, Hong-Mei; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Tang, Si-Fu; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","Cyclometalated Pd(ii) and Ir(iii) 2-(4-bromophenyl)pyridine complexes with N-heterocyclic carbenes (NHCs) and acetylacetonate (acac): synthesis, structures, luminescent properties and application in one-pot oxidation/Suzuki coupling of aryl chlorides containing hydroxymethyl.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10235","10247","10.1039/c4dt00833b","","","0.71073","MoKα","","0.0643","0.0406","","","0.0806","0.0913","","","","","","1.038","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030098","12.986","0.0007","19.7953","0.0011","21.0341","0.0012","90","","90","","90","","5407.1","0.5","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(3S,4S and 3R,4R)-4-(carboranylamino)-3-hydroxy-2,2-dimethyl- 3,4-dihydro-2H-benzo[g]chromene-5,10-dione","","- C20 H28 B10 F3 N O6 -","- C20 H28 B10 F3 N O6 -","- C160 H224 B80 F24 N8 O48 -","8","1","","Austin, Christopher J. D.; Kahlert, Jan; Issa, Fatiah; Reed, John H.; Smith, Jason R.; Ioppolo, Joseph A.; Ong, Jennifer A.; Jamie, Joanne F.; Hibbs, David; Rendina, Louis M.","The first indoleamine-2,3-dioxygenase-1 (IDO1) inhibitors containing carborane.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10719","10724","10.1039/c4dt00444b","","","0.71073","MoKα","","0.0686","0.0449","","","0.107","0.1203","","","","","","1.012","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030099","12.1528","0.0018","8.6038","0.0013","20.383","0.003","90","","105.492","0.002","90","","2053.8","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl2 N O4 -","- C22 H23 Cl2 N O4 -","- C88 H92 Cl8 N4 O16 -","4","1","","Chen, Hui-Qing; Zhang, Kun; Jin, Chao; Huang, Wei","Zinc halide template effects on the construction of [1 + 1] flexible Schiff-base macrocyclic complexes having pendant-armed dialdehyde components.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8486","8492","10.1039/c4dt00605d","","","0.71073","MoKα","","0.0962","0.0705","","","0.1945","0.2104","","","","","","0.98","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030100","11.981","0.005","13.858","0.006","19.572","0.008","90","","100.091","0.007","90","","3199","2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl4 N3 O3 Zn2 -","- C25 H29 Cl4 N3 O3 Zn2 -","- C100 H116 Cl16 N12 O12 Zn8 -","4","1","","Chen, Hui-Qing; Zhang, Kun; Jin, Chao; Huang, Wei","Zinc halide template effects on the construction of [1 + 1] flexible Schiff-base macrocyclic complexes having pendant-armed dialdehyde components.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8486","8492","10.1039/c4dt00605d","","","0.71073","MoKα","","0.18","0.1036","","","0.2698","0.2956","","","","","","0.985","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030101","12.269","0.003","13.851","0.003","19.379","0.005","90","","90","","90","","3293.2","1.4","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Br2 Cl2 N3 O2 Zn -","- C25 H31 Br2 Cl2 N3 O2 Zn -","- C100 H124 Br8 Cl8 N12 O8 Zn4 -","4","1","","Chen, Hui-Qing; Zhang, Kun; Jin, Chao; Huang, Wei","Zinc halide template effects on the construction of [1 + 1] flexible Schiff-base macrocyclic complexes having pendant-armed dialdehyde components.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8486","8492","10.1039/c4dt00605d","","","0.71073","MoKα","","0.0672","0.0389","","","0.0807","0.0879","","","","","","0.92","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030102","15.4126","0.0016","13.5156","0.0016","15.8239","0.0017","90","","93.866","0.003","90","","3288.8","0.6","291","2","291","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C27 H33 Cl2 I2 N3 O3 Zn2 -","- C27 H33 Cl2 I2 N3 O3 Zn2 -","- C108 H132 Cl8 I8 N12 O12 Zn8 -","4","1","","Chen, Hui-Qing; Zhang, Kun; Jin, Chao; Huang, Wei","Zinc halide template effects on the construction of [1 + 1] flexible Schiff-base macrocyclic complexes having pendant-armed dialdehyde components.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8486","8492","10.1039/c4dt00605d","","","0.71073","MoKα","","0.066","0.0585","","","0.1485","0.1526","","","","","","0.995","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030103","21.705","0.007","12.007","0.004","12.259","0.004","90","","90","","90","","3194.8","1.8","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H39 Cl2 N3 O3 Zn2 -","- C29 H39 Cl2 N3 O3 Zn2 -","- C116 H156 Cl8 N12 O12 Zn8 -","4","0.5","","Chen, Hui-Qing; Zhang, Kun; Jin, Chao; Huang, Wei","Zinc halide template effects on the construction of [1 + 1] flexible Schiff-base macrocyclic complexes having pendant-armed dialdehyde components.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8486","8492","10.1039/c4dt00605d","","","0.71073","MoKα","","0.2493","0.0942","","","0.2077","0.244","","","","","","1.034","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030104","11.757","0.006","13.684","0.007","19.582","0.01","90","","90","","90","","3150","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 Br2 N4 O3 Zn2 -","- C29 H38 Br2 N4 O3 Zn2 -","- C116 H152 Br8 N16 O12 Zn8 -","4","1","","Chen, Hui-Qing; Zhang, Kun; Jin, Chao; Huang, Wei","Zinc halide template effects on the construction of [1 + 1] flexible Schiff-base macrocyclic complexes having pendant-armed dialdehyde components.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8486","8492","10.1039/c4dt00605d","","","0.71073","MoKα","","0.1261","0.0924","","","0.2075","0.2247","","","","","","1.043","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030105","19.26","0.003","12.2355","0.0019","14.146","0.002","90","","90","","90","","3333.6","0.9","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H39 I2 N3 O3 Zn2 -","- C29 H39 I2 N3 O3 Zn2 -","- C116 H156 I8 N12 O12 Zn8 -","4","0.5","","Chen, Hui-Qing; Zhang, Kun; Jin, Chao; Huang, Wei","Zinc halide template effects on the construction of [1 + 1] flexible Schiff-base macrocyclic complexes having pendant-armed dialdehyde components.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8486","8492","10.1039/c4dt00605d","","","0.71073","MoKα","","0.0822","0.0483","","","0.1305","0.1449","","","","","","1.054","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030106","6.9723","0.0007","11.1202","0.0014","14.3071","0.0016","96.362","0.004","102.577","0.003","108.094","0.002","1009.9","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 B Cl2 F2 N3 -","- C20 H22 B Cl2 F2 N3 -","- C40 H44 B2 Cl4 F4 N6 -","2","1","","Pan, Zhong-Hua; Luo, Geng-Geng; Zhou, Jing-Wei; Xia, Jiu-Xu; Fang, Kai; Wu, Rui-Bo","A simple BODIPY-aniline-based fluorescent chemosensor as multiple logic operations for the detection of pH and CO2 gas.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8499","8507","10.1039/c4dt00395k","","","0.71073","MoKα","","0.1357","0.0725","","","0.18","0.2375","","","","","","1.134","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030107","10.8093","0.0004","11.5942","0.0004","14.0953","0.0004","90","","104.662","0.001","90","","1708.97","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 B F2 N3 -","- C19 H20 B F2 N3 -","- C76 H80 B4 F8 N12 -","4","1","","Pan, Zhong-Hua; Luo, Geng-Geng; Zhou, Jing-Wei; Xia, Jiu-Xu; Fang, Kai; Wu, Rui-Bo","A simple BODIPY-aniline-based fluorescent chemosensor as multiple logic operations for the detection of pH and CO2 gas.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8499","8507","10.1039/c4dt00395k","","","0.71073","MoKα","","0.0974","0.0653","","","0.1788","0.2401","","","","","","1.186","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030108","11.9007","0.0005","7.0792","0.0002","19.422","0.0007","90","","99.639","0.001","90","","1613.15","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 B F2 N2 -","- C19 H19 B F2 N2 -","- C76 H76 B4 F8 N8 -","4","1","","Pan, Zhong-Hua; Luo, Geng-Geng; Zhou, Jing-Wei; Xia, Jiu-Xu; Fang, Kai; Wu, Rui-Bo","A simple BODIPY-aniline-based fluorescent chemosensor as multiple logic operations for the detection of pH and CO2 gas.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8499","8507","10.1039/c4dt00395k","","","0.71073","MoKα","","0.0932","0.0705","","","0.2075","0.259","","","","","","1.195","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030109","9.39","0.0003","14.715","0.0004","18.0296","0.0004","90","","90","","90","","2491.22","0.12","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H44 Li N5 O -","- C21.988 H44 Li N5 O -","- C87.952 H176 Li4 N20 O4 -","4","1","","Kennedy, Alan R.; Mulvey, Robert E.; Urquhart, Robert I.; Robertson, Stuart D.","Lithium, sodium and potassium picolyl complexes: syntheses, structures and bonding.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14265","14274","10.1039/c4dt00808a","","","0.71073","MoKα","","0.0786","0.0588","","","0.135","0.1458","","","","","","1.073","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030110","9.2483","0.0007","15.1708","0.0012","18.4204","0.0015","90","","90","","90","","2584.5","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H44 N5 Na O -","- C21.992 H44 N5 Na O -","- C87.968 H176 N20 Na4 O4 -","4","1","","Kennedy, Alan R.; Mulvey, Robert E.; Urquhart, Robert I.; Robertson, Stuart D.","Lithium, sodium and potassium picolyl complexes: syntheses, structures and bonding.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14265","14274","10.1039/c4dt00808a","","","0.71073","MoKα","","0.1356","0.089","","","0.2328","0.2798","","","","","","1.026","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030111","7.24604","0.00012","12.9546","0.0002","17.9978","0.0003","90","","90","","90","","1689.45","0.05","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H20 K N3 -","- C18 H20 K N3 -","- C72 H80 K4 N12 -","4","1","","Kennedy, Alan R.; Mulvey, Robert E.; Urquhart, Robert I.; Robertson, Stuart D.","Lithium, sodium and potassium picolyl complexes: syntheses, structures and bonding.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14265","14274","10.1039/c4dt00808a","","","0.71073","MoKα","","0.0383","0.0316","","","0.0649","0.0679","","","","","","1.044","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030112","9.2329","0.0016","13.071","0.003","14.754","0.002","105.504","0.016","91.111","0.013","96.93","0.017","1700.8","0.6","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H29 Li N4 -","- C15.012 H29 Li N4.002 -","- C60.048 H116 Li4 N16.008 -","4","2","","Kennedy, Alan R.; Mulvey, Robert E.; Urquhart, Robert I.; Robertson, Stuart D.","Lithium, sodium and potassium picolyl complexes: syntheses, structures and bonding.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14265","14274","10.1039/c4dt00808a","","","1.5418","CuKα","","0.138","0.0823","","","0.2131","0.2749","","","","","","1.028","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030113","8.6737","0.0004","15.2476","0.001","16.1518","0.0012","90","","93.219","0.005","90","","2132.8","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 N5 Na -","- C18 H36 N5 Na -","- C72 H144 N20 Na4 -","4","1","","Kennedy, Alan R.; Mulvey, Robert E.; Urquhart, Robert I.; Robertson, Stuart D.","Lithium, sodium and potassium picolyl complexes: syntheses, structures and bonding.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14265","14274","10.1039/c4dt00808a","","","0.71073","MoKα","","0.1227","0.0615","","","0.1284","0.1577","","","","","","1.01","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030114","9.177","0.0006","10.2187","0.0008","10.7465","0.0007","107.162","0.007","93.767","0.005","105.164","0.007","918.15","0.12","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H29 K N4 -","- C14.997 H29 K N4 -","- C29.994 H58 K2 N8 -","2","1","","Kennedy, Alan R.; Mulvey, Robert E.; Urquhart, Robert I.; Robertson, Stuart D.","Lithium, sodium and potassium picolyl complexes: syntheses, structures and bonding.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14265","14274","10.1039/c4dt00808a","","","0.71073","MoKα","","0.0565","0.0426","","","0.0905","0.1001","","","","","","1.058","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030334","12.5293","0.0009","13.0003","0.0009","16.0504","0.0011","90","","97.763","0.001","90","","2590.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N6 O P S -","- C27 H23 N6 O P S -","- C108 H92 N24 O4 P4 S4 -","4","1","","Yadav, Ashok; Srivastava, Anant Kumar; Balamurugan, Ayyakkalai; Boomishankar, Ramamoorthy","A cationic copper(i) iodide cluster MOF exhibiting unusual ligand assisted thermochromism.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8166","8169","10.1039/c4dt00050a","","","0.71073","MoKα","","0.0578","0.0391","","","0.0899","0.0994","","","","","","1.021","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030335","14.304","0.004","14.304","0.004","24.223","0.007","90","","90","","120","","4292","2","100","2","100","2","","","","","","","","8","P -3","-P 3","147","","","","- C67 H77 Cu6 I5 N15 O6.5 P2 S2 -","- C65.4999 H63 Cu6 I5 N15 O6.4998 P2 S2 -","- C131 H126 Cu12 I10 N30 O12.9996 P4 S4 -","2","0.333333","","Yadav, Ashok; Srivastava, Anant Kumar; Balamurugan, Ayyakkalai; Boomishankar, Ramamoorthy","A cationic copper(i) iodide cluster MOF exhibiting unusual ligand assisted thermochromism.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8166","8169","10.1039/c4dt00050a","","","0.71073","MoKα","","0.1715","0.0754","","","0.1727","0.2209","","","","","","1.001","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030336","14.306","0.004","14.306","0.004","25.13","0.007","90","","90","","120","","4454","2","296","2","296","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C54 H36 Cu6 I5 N12 P2 S2 -","- C54 H36 Cu6 I5 N12 P2 S2 -","- C108 H72 Cu12 I10 N24 P4 S4 -","2","0.166667","","Yadav, Ashok; Srivastava, Anant Kumar; Balamurugan, Ayyakkalai; Boomishankar, Ramamoorthy","A cationic copper(i) iodide cluster MOF exhibiting unusual ligand assisted thermochromism.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8166","8169","10.1039/c4dt00050a","","","0.71073","MoKα","","0.0836","0.0549","","","0.1568","0.1684","","","","","","0.991","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030337","11.926","0.002","13.525","0.003","27.443","0.006","90","","101.321","0.002","90","","4340.4","1.5","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H31.5 Cu F12 N8.5 P2 Pt S2 -","- C35 H31.5 Cu F12 N8.5 P2 Pt S2 -","- C140 H126 Cu4 F48 N34 P8 Pt4 S8 -","4","1","","Ohba, Tadashi; Kobayashi, Atsushi; Chang, Ho-Chol; Kouyama, Takahiko; Kato, Tatsuhisa; Kato, Masako","Hysteretic vapour response of a heterodinuclear platinum(ii)-copper(ii) complex derived from the dimer-of-dimer motif and the guest-absorbing site.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7514","7521","10.1039/c4dt00316k","","","0.7107","MoKα","","","0.0536","","","","0.1922","","","","","","1.102","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030338","12.6353","0.0002","13.9724","0.0009","14.9026","0.0003","63.0935","0.001","87.697","0.014","64.1812","0.001","2071.23","0.19","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C34.5 H33 Cu F12 N6 O1.5 P2 Pt S2 -","- C34.5 H30 Cu F12 N6 O1.5 P2 Pt S2 -","- C69 H60 Cu2 F24 N12 O3 P4 Pt2 S4 -","2","1","","Ohba, Tadashi; Kobayashi, Atsushi; Chang, Ho-Chol; Kouyama, Takahiko; Kato, Tatsuhisa; Kato, Masako","Hysteretic vapour response of a heterodinuclear platinum(ii)-copper(ii) complex derived from the dimer-of-dimer motif and the guest-absorbing site.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7514","7521","10.1039/c4dt00316k","","","0.71075","MoKα","","","0.0334","","","","0.0843","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030339","19.733","0.003","16.767","0.003","24.665","0.004","90","","102.284","0.003","90","","7974","2","150","","150","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H29.5 Cu F12 N6 O1.5 P2 Pt S2 -","- C31.5 H28.5 Cu F12 N6 O1.5 P2 Pt S2 -","- C252 H228 Cu8 F96 N48 O12 P16 Pt8 S16 -","8","2","","Ohba, Tadashi; Kobayashi, Atsushi; Chang, Ho-Chol; Kouyama, Takahiko; Kato, Tatsuhisa; Kato, Masako","Hysteretic vapour response of a heterodinuclear platinum(ii)-copper(ii) complex derived from the dimer-of-dimer motif and the guest-absorbing site.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7514","7521","10.1039/c4dt00316k","","","0.71075","MoKα","","","0.0696","","","","0.2058","","","","","","1.132","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030340","11.762","0.0005","16.703","0.0006","20.562","0.0009","90","","95.519","0.003","90","","4020.9","0.3","120","2","120","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","FeC60Me5C5H4COMe","","- C72.5 H22 Fe O S -","- C72.5 H22 Fe O S -","- C290 H88 Fe4 O4 S4 -","4","1","","Matsuo, Yutaka; Kuninobu, Yoichiro; Ito, Shingo; Sawamura, Masaya; Nakamura, Eiichi","Friedel-Crafts functionalization of the cyclopentadienyl ligand in buckymetallocenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7407","7412","10.1039/c3dt52002a","","x-ray","0.71073","MoKα","","0.0784","0.0607","","","0.166","0.1848","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030341","11.712","0.0004","16.744","0.0004","20.564","0.0008","90","","94.978","0.002","90","","4017.5","0.2","120","2","120","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","RuC60Me5C5H4COMe","","- C72.5 H22 O Ru S -","- C72.5 H22 O Ru S -","- C290 H88 O4 Ru4 S4 -","4","1","","Matsuo, Yutaka; Kuninobu, Yoichiro; Ito, Shingo; Sawamura, Masaya; Nakamura, Eiichi","Friedel-Crafts functionalization of the cyclopentadienyl ligand in buckymetallocenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7407","7412","10.1039/c3dt52002a","","x-ray","0.71073","MoKα","","0.1112","0.0966","","","0.2503","0.2902","","","","","","1.32","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030342","9.479","0.002","11.16","0.002","12.966","0.003","99.547","0.004","109.035","0.003","113.002","0.003","1123.7","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 Fe4 K2 N8 O20 S2 -","- C24 H48 Fe4 K2 N8 O20 S2 -","- C24 H48 Fe4 K2 N8 O20 S2 -","1","0.5","","Yeh, Shih-Wey; Tsou, Chih-Chin; Liaw, Wen-Feng","The dinitrosyliron complex [Fe4(μ3-S)2(μ2-NO)2(NO)6](2-) containing bridging nitroxyls: (15)N (NO) NMR analysis of the bridging and terminal NO-coordinate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9022","9025","10.1039/c4dt00450g","","","0.71073","MoKα","","0.0578","0.0408","","","0.1175","0.1486","","","","","","1.07","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030343","19.216","0.006","10.729","0.004","9.506","0.003","90","","90","","90","","1959.8","1.1","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H23 Br N4 Ni -","- C20 H23 Br N4 Ni -","- C80 H92 Br4 N16 Ni4 -","4","1","","Sun, Yunqiang; Li, Xiaoyan; Sun, Hongjian","[CNN]-pincer nickel(ii) complexes of N-heterocyclic carbene (NHC): synthesis and catalysis of the Kumada reaction of unactivated C-Cl bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9410","9413","10.1039/c4dt00461b","","","0.71073","MoKα","","0.1019","0.0574","","","0.1252","0.1416","","","","","","0.922","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030344","24.8536","0.0018","10.8716","0.0007","18.6837","0.0014","90","","101.581","0.008","90","","4945.5","0.6","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[μ~3~-[1,3-bis(pyridazin-4-yl)adamantane-κ^4^N1:N2:N3)]-μ~4~- (1,3,5-benzenetricarboxylato)-μ~2~-hydroxido-aquadicopper(II)]","","- C27 H26 Cu2 N4 O8 -","- C27 H26 Cu2 N4 O8 -","- C216 H208 Cu16 N32 O64 -","8","1","","Degtyarenko, Anna S.; Handke, Marcel; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Rusanov, Eduard B.; Thompson, Laurence K.; Krautscheid, Harald; Domasevitch, Konstantin V.","Mixed-ligand hydroxocopper(ii)/pyridazine clusters embedded into 3D framework lattices.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8530","8542","10.1039/c4dt00174e","","","0.71073","MoKα","","0.0465","0.0335","","","0.0809","0.0837","","","","","","0.917","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7030345","11.1208","0.0009","11.5078","0.001","13.8841","0.0013","83.981","0.006","67.507","0.006","62.065","0.005","1444.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis-[μ~3~-[1,3-bis(pyridazin-4-yl)adamantane-κ^4^N1:N2:N3)]]- bis[μ~3~-(1,3,5-adamantanetricarboxylato)]-di(μ~3~-hydroxido)- diaquatetracopper(II)] monohydrate","","- C62 H78 Cu4 N8 O19 -","- C62 H76 Cu4 N8 O19 -","- C62 H76 Cu4 N8 O19 -","1","0.5","","Degtyarenko, Anna S.; Handke, Marcel; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Rusanov, Eduard B.; Thompson, Laurence K.; Krautscheid, Harald; Domasevitch, Konstantin V.","Mixed-ligand hydroxocopper(ii)/pyridazine clusters embedded into 3D framework lattices.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8530","8542","10.1039/c4dt00174e","","","0.71073","MoKα","","0.1149","0.0554","","","0.0853","0.0982","","","","","","0.916","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7030346","13.3933","0.0004","9.9035","0.0003","23.7661","0.0008","90","","98.036","0.002","90","","3121.39","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[bis-[μ~3~-[1,3-bis(pyridazin-4-yl)adamantane-κ^4^N1:N2:N3)]]- tris[μ~2~-(2,5-thiophenedicarboxylato)]-di(μ~3~-hydroxido)- diaquatetracopper(II)] heptahydrate","","- C54 H66 Cu4 N8 O23 S3 -","- C54 H60 Cu4 N8 O23 S3 -","- C108 H120 Cu8 N16 O46 S6 -","2","0.5","","Degtyarenko, Anna S.; Handke, Marcel; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Rusanov, Eduard B.; Thompson, Laurence K.; Krautscheid, Harald; Domasevitch, Konstantin V.","Mixed-ligand hydroxocopper(ii)/pyridazine clusters embedded into 3D framework lattices.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8530","8542","10.1039/c4dt00174e","","","0.71073","MoKα","","0.0961","0.0494","","","0.0931","0.104","","","","","","0.993","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7030347","10.0517","0.0007","18.4855","0.0009","19.1143","0.0013","90","","104.721","0.005","90","","3435.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis-[μ~4~-[1,3-bis(pyridazin-4-yl)adamantane-κ^4^N1:N2:N3:N4)]]- tetrakis-[μ~2~-(1,3-benzenedicarboxylato)]-di(μ~2~-hydroxido)- diaquapentacopper(II)] pentahydrate","","- C68 H72 Cu5 N8 O25 -","- C68 H62 Cu5 N8 O25 -","- C136 H124 Cu10 N16 O50 -","2","0.5","","Degtyarenko, Anna S.; Handke, Marcel; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Rusanov, Eduard B.; Thompson, Laurence K.; Krautscheid, Harald; Domasevitch, Konstantin V.","Mixed-ligand hydroxocopper(ii)/pyridazine clusters embedded into 3D framework lattices.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8530","8542","10.1039/c4dt00174e","","","0.71073","MoKα","","0.0566","0.0362","","","0.0886","0.0947","","","","","","0.965","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7030348","10.0322","0.0006","18.4439","0.0009","19.0354","0.0012","90","","104.897","0.005","90","","3403.8","0.3","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis-[μ~4~-[1,3-bis(pyridazin-4-yl)adamantane-κ^4^N1:N2:N3:N4)]]- tetrakis-[μ~2~-(1,3-benzenedicarboxylato)]-di(μ~2~-hydroxido)- diaquapentacopper(II)] pentahydrate","","- C68 H72 Cu5 N8 O25 -","- C68 H62 Cu5 N8 O25 -","- C136 H124 Cu10 N16 O50 -","2","0.5","","Degtyarenko, Anna S.; Handke, Marcel; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Rusanov, Eduard B.; Thompson, Laurence K.; Krautscheid, Harald; Domasevitch, Konstantin V.","Mixed-ligand hydroxocopper(ii)/pyridazine clusters embedded into 3D framework lattices.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8530","8542","10.1039/c4dt00174e","","","0.71073","MoKα","","0.0487","0.0319","","","0.0764","0.0805","","","","","","0.902","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7030349","10.0552","0.0005","18.784","0.0008","19.1757","0.0009","90","","104.829","0.002","90","","3501.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis-[μ~4~-[1,3-bis(pyridazin-4-yl)adamantane-κ^4^N1:N2:N3:N4)]]- tetrakis-[μ~2~-(5-hydroxy-1,3-benzenedicarboxylato)]-di(μ~2~-hydroxido)- diaquapentacopper(II)] hexahydrate","","- C68 H74 Cu5 N8 O30 -","- C68 H74 Cu5 N8 O30 -","- C136 H148 Cu10 N16 O60 -","2","0.5","","Degtyarenko, Anna S.; Handke, Marcel; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Rusanov, Eduard B.; Thompson, Laurence K.; Krautscheid, Harald; Domasevitch, Konstantin V.","Mixed-ligand hydroxocopper(ii)/pyridazine clusters embedded into 3D framework lattices.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8530","8542","10.1039/c4dt00174e","","","0.71073","MoKα","","0.0941","0.0471","","","0.0887","0.1045","","","","","","1.01","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7030350","10.456","0.005","13.413","0.005","21.207","0.005","90","","90","","90","","2974.2","1.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H38 Cl2 Cu2 N6 O11 -","- C18 H38 Cl2 Cu2 N6 O11 -","- C72 H152 Cl8 Cu8 N24 O44 -","4","1","","Das, Lakshmi Kanta; Drew, Michael G. B.; Diaz, Carmen; Ghosh, Ashutosh","pH dependent facile synthesis of di- and trinuclear oxime based Cu(ii) complexes: antiferromagnetic coupling in the dinuclear cores and spin frustration in the triangular core.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7589","7598","10.1039/c3dt53361a","","","0.71073","MoKα","","0.0531","0.0408","","","0.1046","0.1118","","","","","","1.035","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030351","10.4206","0.0003","13.283","0.0003","21.0965","0.0005","90","","90","","90","","2920.11","0.13","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H38 B2 Cu2 F8 N6 O3 -","- C18 H38 B2 Cu2 F8 N6 O3 -","- C72 H152 B8 Cu8 F32 N24 O12 -","4","1","","Das, Lakshmi Kanta; Drew, Michael G. B.; Diaz, Carmen; Ghosh, Ashutosh","pH dependent facile synthesis of di- and trinuclear oxime based Cu(ii) complexes: antiferromagnetic coupling in the dinuclear cores and spin frustration in the triangular core.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7589","7598","10.1039/c3dt53361a","","","0.71073","MoKα","","0.0808","0.0486","","","0.1262","0.1417","","","","","","1.051","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030352","13.7881","0.0015","13.8192","0.0014","15.706","0.003","92.716","0.013","96.802","0.013","119.851","0.011","2557.6","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H115 Cl9 Cu6 N18 O44 -","- C54 H115 Cl9 Cu6 N18 O44 -","- C54 H115 Cl9 Cu6 N18 O44 -","1","0.5","","Das, Lakshmi Kanta; Drew, Michael G. B.; Diaz, Carmen; Ghosh, Ashutosh","pH dependent facile synthesis of di- and trinuclear oxime based Cu(ii) complexes: antiferromagnetic coupling in the dinuclear cores and spin frustration in the triangular core.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7589","7598","10.1039/c3dt53361a","","","0.71073","MoKα","","0.2169","0.0932","","","0.2182","0.258","","","","","","0.821","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030353","23.065","0.013","29.487","0.016","27.41","0.015","90","","100.372","0.013","90","","18337","18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H56 Mn4 N8 O16 -","- C96 H56 Mn4 N8 O16 -","- C768 H448 Mn32 N64 O128 -","8","1","","Lou, Yongbing; Wang, Jingjing; Tao, Yinhua; Chen, Jinxi; Mishima, Akio; Ohba, Masaaki","Structure modulation of manganese coordination polymers consisting of 1,4-naphthalene dicarboxylate and 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8508","8514","10.1039/c4dt00388h","","","0.71073","MoKα","","0.1396","0.0944","","","0.159","0.1791","","","","","","1.002","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030354","8.2839","0.0017","19.604","0.004","19.034","0.004","90","","101.23","0.03","90","","3031.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 Mn2 N2 O9 -","- C36 H22 Mn2 N2 O9 -","- C144 H88 Mn8 N8 O36 -","4","1","","Lou, Yongbing; Wang, Jingjing; Tao, Yinhua; Chen, Jinxi; Mishima, Akio; Ohba, Masaaki","Structure modulation of manganese coordination polymers consisting of 1,4-naphthalene dicarboxylate and 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8508","8514","10.1039/c4dt00388h","","","0.71073","MoKα","","0.0679","0.0456","","","0.0878","0.0947","","","","","","1.063","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030355","41.903","0.015","13.478","0.005","15.042","0.006","90","","108.495","0.004","90","","8056","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 Mn2 N4 O9 -","- C48 H30 Mn2 N4 O9 -","- C384 H240 Mn16 N32 O72 -","8","1","","Lou, Yongbing; Wang, Jingjing; Tao, Yinhua; Chen, Jinxi; Mishima, Akio; Ohba, Masaaki","Structure modulation of manganese coordination polymers consisting of 1,4-naphthalene dicarboxylate and 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8508","8514","10.1039/c4dt00388h","","","0.71073","MoKα","","0.0541","0.0326","","","0.0671","0.0722","","","","","","0.898","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030356","12.311","0.004","13.132","0.004","14.299","0.005","99.409","0.004","108.611","0.004","98.761","0.005","2109","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H46 Cl Fe N6 O6 -","- C37 H46 Cl Fe N6 O6 -","- C74 H92 Cl2 Fe2 N12 O12 -","2","1","","Li, Zhiyou; Wu, Lamei; Zhang, Tao; Huang, Zhengxi; Qiu, Guofu; Zhou, Zhongqiang; Jin, Longfei","N-2-Hydroxybenzaldehyde acylhydrazone-Fe(iii) complex: synthesis, crystal structure and its efficient and selective N-methylation.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7554","7560","10.1039/c4dt00121d","","","0.71073","MoKα","","0.1335","0.0888","","","0.2001","0.2299","","","","","","0.986","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030357","10.319","0.0015","15.155","0.002","13.344","0.0019","90","","109.348","0.002","90","","1968.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C80 H100 N12 O12 -","4","1","","Li, Zhiyou; Wu, Lamei; Zhang, Tao; Huang, Zhengxi; Qiu, Guofu; Zhou, Zhongqiang; Jin, Longfei","N-2-Hydroxybenzaldehyde acylhydrazone-Fe(iii) complex: synthesis, crystal structure and its efficient and selective N-methylation.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7554","7560","10.1039/c4dt00121d","","","0.71073","MoKα","","0.0607","0.0478","","","0.1412","0.1585","","","","","","1.022","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030358","22.3199","0.0009","13.7789","0.0006","23.233","0.001","90","","105.863","0.003","90","","6873.1","0.5","80","2","80","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81.4 H196.6 Cl1.4 Cu12 N12 O59.2 Y4 -","- C81.4 H196.6 Cl1.4 Cu12 N12 O59.2 Y4 -","- C162.8 H393.2 Cl2.8 Cu24 N24 O118.4 Y8 -","2","0.5","","Ahmed, Sohail; Mansoor, Muhammad Adil; Mazhar, Muhammad; Söhnel, Tilo; Khaledi, Hamid; Basirun, Wan Jefrey; Arifin, Zainudin; Abubakar, Shahzad; Muhammad, Bakhtiar","Semiconducting composite oxide Y2CuO4-5CuO thin films for investigation of photoelectrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8523","8529","10.1039/c4dt00719k","","","0.71073","MoKα","","0.0761","0.0393","","","0.0787","0.0905","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030359","4.4256","0.0006","7.6883","0.001","17.242","0.002","77.679","0.004","84.616","0.005","74.348","0.004","551.49","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C26 H20 N4 O2 -","2","1","","Kanat, Zeliha; Dinçer, Hatice","The synthesis and characterization of nonperipherally tetra terminal alkynyl substituted phthalocyanines and glycoconjugation via the click reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8654","8663","10.1039/c4dt00238e","","","0.71073","MoKα","","0.0854","0.0702","","","0.1792","0.1878","","","","","","1.086","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030360","11.1922","0.0003","12.953","0.0004","13.1007","0.0005","79.063","0.003","84.902","0.003","83.183","0.003","1847.27","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34.25 H36.5 Cl0.5 F15 Mo N O2 -","- C34.25 H36.5 Cl0.5 F15 Mo N O2 -","- C68.5 H73 Cl F30 Mo2 N2 O4 -","2","1","","García-Monforte, M Angeles; Baya, Miguel; Betoré, M Pilar; Martín, Antonio; Menjón, Babil","Mononuclear anionic AO2X3 compounds with non-VSEPR structure.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7615","7621","10.1039/c4dt00525b","","","0.71073","MoKα","","0.1155","0.052","","","0.0742","0.0812","","","","","","0.875","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030361","27.1458","0.0006","12.4837","0.0003","18.895","0.0005","90","","102.193","0.002","90","","6258.7","0.3","173","2","173","2","","","","","","","synthesis as described","8","C 1 c 1","C -2yc","9","","","","- C61 H60 F3 O5 P5 Ru S Si -","- C61 H60 F3 O5 P5 Ru S Si -","- C244 H240 F12 O20 P20 Ru4 S4 Si4 -","4","1","","Trathen, Nicola; Leech, Matthew C.; Crossley, Ian R.; Greenacre, Victoria K.; Roe, S. Mark","Synthesis and electronic structure of the first cyaphide-alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9004","9007","10.1039/c4dt01108b","","x-ray","0.71073","MoKα","","0.101","0.077","","","0.1913","0.203","","","","","","1.096","","","","has coordinates,has disorder","180009","2020-10-21","18:00:00",""
"7030362","9.9951","0.0007","11.9374","0.0006","21.7684","0.0013","85.981","0.005","86.336","0.005","85.461","0.005","2578.3","0.3","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H55 O P5 Ru -","- C62 H55 O P5 Ru -","- C124 H110 O2 P10 Ru2 -","2","1","","Trathen, Nicola; Leech, Matthew C.; Crossley, Ian R.; Greenacre, Victoria K.; Roe, S. Mark","Synthesis and electronic structure of the first cyaphide-alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9004","9007","10.1039/c4dt01108b","","x-ray","1.54184","CuKα","","0.0578","0.0458","","","0.1223","0.1365","","","","","","0.911","","","","has coordinates,has disorder","180009","2020-10-21","18:00:00",""
"7030363","22.6782","0.0006","13.3919","0.0003","16.9067","0.0004","90","","102.139","0.001","90","","5019.8","0.2","173","2","173","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C57 H53 Cl3 O2 P4 Ru -","- C57 H53 Cl3 O2 P4 Ru -","- C228 H212 Cl12 O8 P16 Ru4 -","4","1","","Trathen, Nicola; Leech, Matthew C.; Crossley, Ian R.; Greenacre, Victoria K.; Roe, S. Mark","Synthesis and electronic structure of the first cyaphide-alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9004","9007","10.1039/c4dt01108b","","x-ray","0.71073","MoKα","","0.0887","0.053","","","0.1037","0.1184","","","","","","1.006","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030364","8.5855","0.0013","13.622","0.002","32.542","0.005","90","","90","","90","","3805.8","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O Si Zr -","- C17 H29 N O Si Zr -","- C136 H232 N8 O8 Si8 Zr8 -","8","2","","Yan, KaKing; Pindwal, Aradhana; Ellern, Arkady; Sadow, Aaron D.","Direct hydrosilylation by a zirconacycle with β-hydrogen.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8644","8653","10.1039/c4dt00658e","","","0.71073","MoKα","","0.1324","0.122","","","0.2888","0.294","","","","","","1.192","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030365","17.1498","0.0014","8.7333","0.0007","15.0209","0.0013","90","","114.845","0.001","90","","2041.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 N O Si2 Zr -","- C17 H29 N O Si2 Zr -","- C68 H116 N4 O4 Si8 Zr4 -","4","1","","Yan, KaKing; Pindwal, Aradhana; Ellern, Arkady; Sadow, Aaron D.","Direct hydrosilylation by a zirconacycle with β-hydrogen.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8644","8653","10.1039/c4dt00658e","","","0.71073","MoKα","","0.0621","0.0491","","","0.126","0.1345","","","","","","1.027","","","","has coordinates,has disorder","180009","2020-10-21","18:00:00",""
"7030366","9.947","0.003","8.477","0.002","12.816","0.003","90","","97.646","0.004","90","","1071","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Sad357","","","- C17 H32 N P Si2 Zr -","- C17 H32 N P Si2 Zr -","- C34 H64 N2 P2 Si4 Zr2 -","2","1","","Yan, KaKing; Pindwal, Aradhana; Ellern, Arkady; Sadow, Aaron D.","Direct hydrosilylation by a zirconacycle with β-hydrogen.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8644","8653","10.1039/c4dt00658e","","","0.71073","MoKα","","0.0377","0.0369","","","0.0999","0.1009","","","","","","1.067","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030367","17.6574","0.0016","19.6319","0.0018","22.653","0.002","90","","90","","90","","7852.6","1.2","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H35 B F15 N O2 Si2 Zr -","- C38 H35 B F15 N O2 Si2 Zr -","- C304 H280 B8 F120 N8 O16 Si16 Zr8 -","8","1","","Yan, KaKing; Pindwal, Aradhana; Ellern, Arkady; Sadow, Aaron D.","Direct hydrosilylation by a zirconacycle with β-hydrogen.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8644","8653","10.1039/c4dt00658e","","","0.71073","MoKα","","0.0954","0.0443","","","0.0911","0.1114","","","","","","0.995","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030368","27.206","0.005","27.206","0.005","16.478","0.002","90","","90","","120","","10562","3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H36 Cu N2 O4 -","- C24 H36 Cu N2 O4 -","- C432 H648 Cu18 N36 O72 -","18","1","","Rangel, Maria; Leite, Andreia; Silva, André M N; Moniz, Tânia; Nunes, Ana; Amorim, M João; Queirós, Carla; Cunha-Silva, Luís; Gameiro, Paula; Burgess, John","Distinctive EPR signals provide an understanding of the affinity of bis-(3-hydroxy-4-pyridinonato) copper(ii) complexes for hydrophobic environments.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9722","9731","10.1039/c4dt00642a","","","0.71073","MoKα","","0.0683","0.0439","","","0.1017","0.1111","","","","","","0.964","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030369","9.182","0.0002","10.7781","0.0003","11.3519","0.0003","101.512","0.002","105.284","0.002","100.003","0.002","1031.01","0.05","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H60 La2 N6 O28 -","- C22 H60 La2 N6 O28 -","- C22 H60 La2 N6 O28 -","1","0.5","","Chen, Mao-Long; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Cao, Ze-Xing; Zhou, Zhao-Hui; Wan, Hui-Lin","Dimeric 1,3-propanediaminetetraacetato lanthanides as the precursors of catalysts for the oxidative coupling of methane.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8690","8697","10.1039/c4dt00104d","","","0.71073","MoKα","","0.0353","0.0294","","","0.0698","0.0723","","","","","","0.938","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030370","9.1815","0.0004","10.7611","0.0004","11.3292","0.0004","101.806","0.003","105.137","0.003","99.966","0.003","1026.83","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H60 Ce2 N6 O28 -","- C22 H60 Ce2 N6 O28 -","- C22 H60 Ce2 N6 O28 -","1","0.5","","Chen, Mao-Long; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Cao, Ze-Xing; Zhou, Zhao-Hui; Wan, Hui-Lin","Dimeric 1,3-propanediaminetetraacetato lanthanides as the precursors of catalysts for the oxidative coupling of methane.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8690","8697","10.1039/c4dt00104d","","","0.71073","MoKα","","0.0285","0.0245","","","0.0548","0.056","","","","","","1.025","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030371","9.0362","0.0003","10.8215","0.0004","11.7411","0.0003","80.775","0.003","80.888","0.002","76.343","0.003","1092.49","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H58 K2 La2 N4 O31 -","- C22 H58 K2 La2 N4 O31 -","- C22 H58 K2 La2 N4 O31 -","1","0.5","","Chen, Mao-Long; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Cao, Ze-Xing; Zhou, Zhao-Hui; Wan, Hui-Lin","Dimeric 1,3-propanediaminetetraacetato lanthanides as the precursors of catalysts for the oxidative coupling of methane.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8690","8697","10.1039/c4dt00104d","","","0.71073","MoKα","","0.0291","0.0262","","","0.0639","0.0653","","","","","","1.02","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030372","9.0204","0.0005","10.789","0.0006","11.7467","0.0005","80.869","0.004","80.717","0.004","76.388","0.005","1087.82","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H58 Ce2 K2 N4 O31 -","- C22 H58 Ce2 K2 N4 O31 -","- C22 H58 Ce2 K2 N4 O31 -","1","0.5","","Chen, Mao-Long; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Cao, Ze-Xing; Zhou, Zhao-Hui; Wan, Hui-Lin","Dimeric 1,3-propanediaminetetraacetato lanthanides as the precursors of catalysts for the oxidative coupling of methane.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8690","8697","10.1039/c4dt00104d","","","0.71073","MoKα","","0.0281","0.0225","","","0.0448","0.0455","","","","","","1.002","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030373","10.8949","0.0003","14.4341","0.0004","15.4414","0.0005","72.312","0.003","71.264","0.003","76.982","0.002","2168.85","0.12","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H116 La4 N8 O62 Sr2 -","- C44 H116 La4 N8 O62 Sr2 -","- C44 H116 La4 N8 O62 Sr2 -","1","0.5","","Chen, Mao-Long; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Cao, Ze-Xing; Zhou, Zhao-Hui; Wan, Hui-Lin","Dimeric 1,3-propanediaminetetraacetato lanthanides as the precursors of catalysts for the oxidative coupling of methane.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8690","8697","10.1039/c4dt00104d","","","0.71073","MOKα","","0.0517","0.039","","","0.071","0.0753","","","","","","1.051","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030374","11.3423","0.0007","19.2758","0.0012","19.5602","0.0012","100.383","0.002","104.904","0.002","90.477","0.002","4058.2","0.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N2 P2 Si2 -","- C44 H48 N2 P2 Si2 -","- C176 H192 N8 P8 Si8 -","4","2","","Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity of the uranium(iv) carbene complex [U(BIPM(TMS))(Cl)(μ-Cl)2Li(THF)2] (BIPM(TMS) = {C(PPh2NSiMe3)2}) towards carbonyl and heteroallene substrates: metallo-Wittig, adduct formation, C-F bond activation, and [2 + 2]-cycloaddition reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14275","14283","10.1039/c4dt00909f","","","0.71073","MoKα","","0.0917","0.0705","","","0.154","0.164","","","","","","1.11","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030375","12.6232","0.0003","14.1448","0.0003","14.8645","0.0003","104.972","0.0018","91.5936","0.0017","106.771","0.0017","2439.86","0.1","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C98 H120 Cl4 N4 O2 P4 Si4 U2 -","- C98 H120 Cl4 N4 O2 P4 Si4 U2 -","- C98 H120 Cl4 N4 O2 P4 Si4 U2 -","1","0.5","","Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity of the uranium(iv) carbene complex [U(BIPM(TMS))(Cl)(μ-Cl)2Li(THF)2] (BIPM(TMS) = {C(PPh2NSiMe3)2}) towards carbonyl and heteroallene substrates: metallo-Wittig, adduct formation, C-F bond activation, and [2 + 2]-cycloaddition reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14275","14283","10.1039/c4dt00909f","","","1.5418","CuKα","","0.0278","0.0252","","","0.0605","0.0702","","","","","","1.141","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030376","11.4333","0.0007","15.4909","0.001","17.4776","0.0011","68.404","0.002","76.718","0.002","79.423","0.002","2784.4","0.3","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H66 Cl2 N2 O6 P2 Si2 U -","- C57 H66 Cl2 N2 O6 P2 Si2 U -","- C114 H132 Cl4 N4 O12 P4 Si4 U2 -","2","1","","Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity of the uranium(iv) carbene complex [U(BIPM(TMS))(Cl)(μ-Cl)2Li(THF)2] (BIPM(TMS) = {C(PPh2NSiMe3)2}) towards carbonyl and heteroallene substrates: metallo-Wittig, adduct formation, C-F bond activation, and [2 + 2]-cycloaddition reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14275","14283","10.1039/c4dt00909f","","","0.71073","MoKα","","0.041","0.0364","","","0.0986","0.1014","","","","","","1.073","","","","has coordinates,has disorder","180009","2020-10-21","18:00:00",""
"7030377","10.4952","0.001","11.0542","0.001","20.4225","0.0019","90.262","0.001","99.562","0.001","98.078","0.001","2312.3","0.4","90","2","90","2","","","","","","","","9","P -1","-P 1","2","","","","- C84 H108 Cl4 Li2 N4 O8 P4 Si4 U -","- C84 H108 Cl4 Li2 N4 O8 P4 Si4 U -","- C84 H108 Cl4 Li2 N4 O8 P4 Si4 U -","1","0.5","","Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity of the uranium(iv) carbene complex [U(BIPM(TMS))(Cl)(μ-Cl)2Li(THF)2] (BIPM(TMS) = {C(PPh2NSiMe3)2}) towards carbonyl and heteroallene substrates: metallo-Wittig, adduct formation, C-F bond activation, and [2 + 2]-cycloaddition reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14275","14283","10.1039/c4dt00909f","","","0.71073","MoKα","","0.0647","0.0629","","","0.1405","0.1417","","","","","","1.25","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030378","18.116","0.004","9.6551","0.0019","15.002","0.003","90","","124.27","0.03","90","","2168.5","1.1","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cl2 F2 N4 U -","- C20 H20 Cl2 F2 N4 U -","- C80 H80 Cl8 F8 N16 U4 -","4","0.5","","Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity of the uranium(iv) carbene complex [U(BIPM(TMS))(Cl)(μ-Cl)2Li(THF)2] (BIPM(TMS) = {C(PPh2NSiMe3)2}) towards carbonyl and heteroallene substrates: metallo-Wittig, adduct formation, C-F bond activation, and [2 + 2]-cycloaddition reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14275","14283","10.1039/c4dt00909f","","","0.71073","MoKα","","0.0151","0.0148","","","0.036","0.0361","","","","","","1.1","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030379","12.9867","0.0008","14.396","0.0009","20.5254","0.0013","84.529","0.001","79.279","0.001","68.598","0.001","3508.8","0.4","90","2","90","2","","","","","","","","9","P -1","-P 1","2","","","","- C62 H99 Cl4 Li2 N3 O7.5 P2 Si2 U -","- C56 H87 Cl4 Li2 N3 O6 P2 Si2 U -","- C112 H174 Cl8 Li4 N6 O12 P4 Si4 U2 -","2","1","","Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity of the uranium(iv) carbene complex [U(BIPM(TMS))(Cl)(μ-Cl)2Li(THF)2] (BIPM(TMS) = {C(PPh2NSiMe3)2}) towards carbonyl and heteroallene substrates: metallo-Wittig, adduct formation, C-F bond activation, and [2 + 2]-cycloaddition reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14275","14283","10.1039/c4dt00909f","","","0.71073","MoKα","","0.0411","0.032","","","0.0725","0.0755","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030380","13.0517","0.0011","22.8985","0.0019","18.7017","0.0015","90","","96.221","0.001","90","","5556.4","0.8","90","2","90","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 Cl3 Li N4 O2 P2 Si2 U -","- C52 H76 Cl3 Li N4 O2 P2 Si2 U -","- C208 H304 Cl12 Li4 N16 O8 P8 Si8 U4 -","4","1","","Cooper, Oliver J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity of the uranium(iv) carbene complex [U(BIPM(TMS))(Cl)(μ-Cl)2Li(THF)2] (BIPM(TMS) = {C(PPh2NSiMe3)2}) towards carbonyl and heteroallene substrates: metallo-Wittig, adduct formation, C-F bond activation, and [2 + 2]-cycloaddition reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14275","14283","10.1039/c4dt00909f","","","0.71073","MoKα","","0.071","0.0423","","","0.087","0.0986","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030381","9.8908","0.0003","11.9141","0.0004","12.187","0.0003","98.487","0.002","110.618","0.003","106.055","0.003","1242.87","0.08","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H22 Br I Mn N5 O4 -","- C21 H22 Br I Mn N5 O4 -","- C42 H44 Br2 I2 Mn2 N10 O8 -","2","1","","Pai, Sandesh; Hafftlang, Maryam; Atongo, George; Nagel, Christoph; Niesel, Johanna; Botov, Svetlana; Schmalz, Hans-Günther; Yard, Benito; Schatzschneider, Ulrich","New modular manganese(i) tricarbonyl complexes as PhotoCORMs: in vitro detection of photoinduced carbon monoxide release using COP-1 as a fluorogenic switch-on probe.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8664","8678","10.1039/c4dt00254g","","","0.71073","MoKα","","0.0246","0.02","","","0.046","0.0466","","","","","","0.954","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030382","14.7315","0.0007","11.1201","0.0003","15.6814","0.0007","90","","116.031","0.006","90","","2308.3","0.2","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F6 I Mn N5 O3 P -","- C18 H14 F6 I Mn N5 O3 P -","- C72 H56 F24 I4 Mn4 N20 O12 P4 -","4","1","","Pai, Sandesh; Hafftlang, Maryam; Atongo, George; Nagel, Christoph; Niesel, Johanna; Botov, Svetlana; Schmalz, Hans-Günther; Yard, Benito; Schatzschneider, Ulrich","New modular manganese(i) tricarbonyl complexes as PhotoCORMs: in vitro detection of photoinduced carbon monoxide release using COP-1 as a fluorogenic switch-on probe.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8664","8678","10.1039/c4dt00254g","","","0.71073","MoKα","","0.0397","0.0301","","","0.0643","0.0694","","","","","","1.026","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030383","11.225","0.002","14.377","0.003","14.529","0.003","79.31","0.03","75.74","0.03","70.34","0.03","2126.4","0.9","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H17 F6 Mn N5 O3 P -","- C18 H17 F6 Mn N5 O3 P -","- C72 H68 F24 Mn4 N20 O12 P4 -","4","2","","Pai, Sandesh; Hafftlang, Maryam; Atongo, George; Nagel, Christoph; Niesel, Johanna; Botov, Svetlana; Schmalz, Hans-Günther; Yard, Benito; Schatzschneider, Ulrich","New modular manganese(i) tricarbonyl complexes as PhotoCORMs: in vitro detection of photoinduced carbon monoxide release using COP-1 as a fluorogenic switch-on probe.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8664","8678","10.1039/c4dt00254g","","","0.71073","MoKα","","0.0584","0.0544","","","0.1342","0.1363","","","","","","1.02","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7030385","7.4245","0.0011","14.98","0.002","17.2929","0.0018","90","","104.992","0.005","90","","1857.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Cl2 Cu2 N16 O17 -","- C24 H38 Cl2 Cu2 N16 O17 -","- C48 H76 Cl4 Cu4 N32 O34 -","2","0.5","","Fu, Xia-Bing; Liu, Dan-Dan; Lin, Yuan; Hu, Wei; Mao, Zong-Wan; Le, Xue-Yi","Water-soluble DNA minor groove binders as potential chemotherapeutic agents: synthesis, characterization, DNA binding and cleavage, antioxidation, cytotoxicity and HSA interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8721","8737","10.1039/c3dt53577k","","","0.71073","MoKα","","0.0559","0.0488","","","0.1233","0.1273","","","","","","1.063","","","","has coordinates,has disorder","180009","2020-10-21","18:00:00",""
"7030386","23.2423","0.0012","12.061","0.0007","9.2715","0.0005","90","","102.372","0.006","90","","2538.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 P2 Se2 -","- C26 H26 N2 P2 Se2 -","- C104 H104 N8 P8 Se8 -","4","0.5","","Kottalanka, Ravi K.; Adimulam, Harinath; Bhattacharjee, Jayeeta; Vignesh Babu, H.; Panda, Tarun K.","Bis(phosphinoselenoic amides) as versatile chelating ligands for alkaline earth metal (Mg, Ca, Sr and Ba) complexes: syntheses, structure and ε-caprolactone polymerisation.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8757","8766","10.1039/c4dt00669k","","","1.54184","CuKα","","0.0426","0.034","","","0.0867","0.095","","","","","","1.024","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030387","16.5026","0.0005","11.4432","0.0003","18.3315","0.0005","90","","90","","90","","3461.77","0.17","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H42 N2 O2 P2 Se2 -","- C34 H42 N2 O2 P2 Se2 -","- C136 H168 N8 O8 P8 Se8 -","4","0.5","","Kottalanka, Ravi K.; Adimulam, Harinath; Bhattacharjee, Jayeeta; Vignesh Babu, H.; Panda, Tarun K.","Bis(phosphinoselenoic amides) as versatile chelating ligands for alkaline earth metal (Mg, Ca, Sr and Ba) complexes: syntheses, structure and ε-caprolactone polymerisation.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8757","8766","10.1039/c4dt00669k","","","1.54184","CuKα","","0.0345","0.0327","","","0.088","0.0895","","","","","","1.067","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030388","9.66","0.0005","17.2064","0.001","25.4384","0.0014","105.952","0.005","90.358","0.004","102.056","0.005","3966.6","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 Ba N2 O3 P2 Se2 -","- C38 H48 Ba N2 O3 P2 Se2 -","- C152 H192 Ba4 N8 O12 P8 Se8 -","4","2","","Kottalanka, Ravi K.; Adimulam, Harinath; Bhattacharjee, Jayeeta; Vignesh Babu, H.; Panda, Tarun K.","Bis(phosphinoselenoic amides) as versatile chelating ligands for alkaline earth metal (Mg, Ca, Sr and Ba) complexes: syntheses, structure and ε-caprolactone polymerisation.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8757","8766","10.1039/c4dt00669k","","","1.54184","CuKα","","0.0799","0.0572","","","0.1521","0.1691","","","","","","1.085","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030389","9.8642","0.001","13.4955","0.0012","16.8868","0.0012","106.675","0.007","101.705","0.008","106.697","0.009","1960.4","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 Ca N2 O3 P2 Se2 -","- C38 H48 Ca N2 O3 P2 Se2 -","- C76 H96 Ca2 N4 O6 P4 Se4 -","2","1","","Kottalanka, Ravi K.; Adimulam, Harinath; Bhattacharjee, Jayeeta; Vignesh Babu, H.; Panda, Tarun K.","Bis(phosphinoselenoic amides) as versatile chelating ligands for alkaline earth metal (Mg, Ca, Sr and Ba) complexes: syntheses, structure and ε-caprolactone polymerisation.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8757","8766","10.1039/c4dt00669k","","","1.54184","CuKα","","0.0974","0.0674","","","0.2324","0.2537","","","","","","1.102","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030390","9.2659","0.0009","14.075","0.0013","14.932","0.0015","111.894","0.009","91.583","0.008","101.013","0.008","1763.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H46 B2 Ba N2 O2 P2 -","- C34 H46 B2 Ba N2 O2 P2 -","- C68 H92 B4 Ba2 N4 O4 P4 -","2","1","","Kottalanka, Ravi K.; Adimulam, Harinath; Bhattacharjee, Jayeeta; Vignesh Babu, H.; Panda, Tarun K.","Bis(phosphinoselenoic amides) as versatile chelating ligands for alkaline earth metal (Mg, Ca, Sr and Ba) complexes: syntheses, structure and ε-caprolactone polymerisation.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8757","8766","10.1039/c4dt00669k","","","1.54184","CuKα","","0.0768","0.0527","","","0.1148","0.135","","","","","","1.01","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030391","9.8678","0.0011","13.455","0.0014","17.0933","0.0017","106.687","0.009","101.184","0.009","106.567","0.01","1987.4","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 N2 O3 P2 Se2 Sr -","- C38 H48 N2 O3 P2 Se2 Sr -","- C76 H96 N4 O6 P4 Se4 Sr2 -","2","1","","Kottalanka, Ravi K.; Adimulam, Harinath; Bhattacharjee, Jayeeta; Vignesh Babu, H.; Panda, Tarun K.","Bis(phosphinoselenoic amides) as versatile chelating ligands for alkaline earth metal (Mg, Ca, Sr and Ba) complexes: syntheses, structure and ε-caprolactone polymerisation.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8757","8766","10.1039/c4dt00669k","","","1.54184","CuKα","","0.0773","0.0497","","","0.1486","0.1584","","","","","","1.077","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030392","12.705","0.0006","13.7069","0.0007","14.7809","0.0007","90","","91.387","0.004","90","","2573.3","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H32 B2 N2 P2 -","- C26 H32 B2 N2 P2 -","- C104 H128 B8 N8 P8 -","4","1","","Kottalanka, Ravi K.; Adimulam, Harinath; Bhattacharjee, Jayeeta; Vignesh Babu, H.; Panda, Tarun K.","Bis(phosphinoselenoic amides) as versatile chelating ligands for alkaline earth metal (Mg, Ca, Sr and Ba) complexes: syntheses, structure and ε-caprolactone polymerisation.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8757","8766","10.1039/c4dt00669k","","","1.54184","CuKα","","0.0491","0.0456","","","0.1259","0.1307","","","","","","1.082","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030393","9.6053","0.0011","13.3939","0.0014","16.644","0.003","107.905","0.013","99.522","0.012","105.115","0.01","1895.5","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H48 Mg N2 O3 P2 Se2 -","- C38 H48 Mg N2 O3 P2 Se2 -","- C76 H96 Mg2 N4 O6 P4 Se4 -","2","1","","Kottalanka, Ravi K.; Adimulam, Harinath; Bhattacharjee, Jayeeta; Vignesh Babu, H.; Panda, Tarun K.","Bis(phosphinoselenoic amides) as versatile chelating ligands for alkaline earth metal (Mg, Ca, Sr and Ba) complexes: syntheses, structure and ε-caprolactone polymerisation.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8757","8766","10.1039/c4dt00669k","","","1.54184","CuKα","","0.0555","0.0415","","","0.0979","0.108","","","","","","1.045","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030394","10.8883","0.0016","11.1849","0.0017","24.856","0.004","97.198","0.003","90.8","0.002","91.953","0.003","3001","0.8","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C77 H67 N3 S2 -","- C77 H67 N3 S2 -","- C154 H134 N6 S4 -","2","1","","Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki","Deprotonation/protonation-driven change of the σ-donor ability of a sulfur atom in iron(ii) complexes with a thioamide SNS pincer type ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9732","9739","10.1039/c4dt00524d","","","0.7107","MoKα","","","0.0536","","","","0.1385","","","","","","1.045","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030395","9.872","0.003","19.911","0.007","21.027","0.007","110.172","0.005","98.244","0.004","94.284","0.003","3805","2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C85 H87 Br2 Fe N3 O4 S2 -","- C85 H87 Br2 Fe N3 O4 S2 -","- C170 H174 Br4 Fe2 N6 O8 S4 -","2","1","","Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki","Deprotonation/protonation-driven change of the σ-donor ability of a sulfur atom in iron(ii) complexes with a thioamide SNS pincer type ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9732","9739","10.1039/c4dt00524d","","","0.7107","MoKα","","","0.0769","","","","0.1811","","","","","","1.027","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030396","19.615","0.003","22.908","0.003","20.265","0.003","90","","108.418","0.0012","90","","8639","2","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99 H109 Fe N3 O5.5 S2 -","- C99 H105 Fe N3 O5.5 S2 -","- C396 H420 Fe4 N12 O22 S8 -","4","1","","Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki","Deprotonation/protonation-driven change of the σ-donor ability of a sulfur atom in iron(ii) complexes with a thioamide SNS pincer type ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9732","9739","10.1039/c4dt00524d","","","0.7107","MoKα","","","0.0719","","","","0.2151","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030397","13.514","0.003","16.52","0.003","19.046","0.004","65.733","0.007","79.394","0.009","78.28","0.01","3771.4","1.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C94 H81 Fe N3 O3 S2 -","- C94 H80.9995 Fe N3 O3 S2 -","- C188 H161.999 Fe2 N6 O6 S4 -","2","1","","Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki","Deprotonation/protonation-driven change of the σ-donor ability of a sulfur atom in iron(ii) complexes with a thioamide SNS pincer type ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9732","9739","10.1039/c4dt00524d","","","0.7107","MoKα","","","0.0603","","","","0.1706","","","","","","1.064","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030398","15.521","0.004","19.59","0.005","20.683","0.005","107.334","0.003","108.661","0.0003","105.322","0.0014","5219","2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C124 H119 Fe N6 S2 -","- C121 H116 Fe N6 S2 -","- C242 H232 Fe2 N12 S4 -","2","1","","Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki","Deprotonation/protonation-driven change of the σ-donor ability of a sulfur atom in iron(ii) complexes with a thioamide SNS pincer type ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9732","9739","10.1039/c4dt00524d","","","0.71075","MoKα","","","0.0706","","","","0.206","","","","","","1.076","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030399","17.68","0.005","13.346","0.004","26.399","0.008","90","","90","","90","","6229","3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- As4 Cs5 H25 Na4 Nb8 O66 -","- As4 Cs5 Na4 Nb8 O66 -","- As16 Cs20 Na16 Nb32 O264 -","4","0.5","","Geng, Qiaohua; Liu, Qisen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis, crystal structure and photocatalytic properties of an unprecedented arsenic-disubstituted Lindqvist-type peroxopolyoxoniobate ion: {As2Nb4(O2)4O14H1.5}(4.5-).","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9843","9846","10.1039/c4dt00875h","","","0.71073","MoKα","","0.0639","0.0513","","","0.161","0.174","","","","","","1.073","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030400","11.2602","0.0008","13.378","0.001","14.7418","0.001","90.379","0.001","102.681","0.001","111.435","0.001","2007.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Ag2 N4 O13 -","- C40 H46 Ag2 N4 O13 -","- C80 H92 Ag4 N8 O26 -","2","1","","Han, Lu-Lu; Hu, Tuo-Ping; Chen, Jiang-Shan; Li, Zhong-Hui; Wang, Xing-Po; Zhao, Ya-Qin; Li, Xiao-Yu; Sun, Di","Simultaneous encapsulation of an infinite T4(0)A(0)6(0) water tape and discrete water hexamers in a hydrogen-bonded Ag(i) supramolecular framework.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8774","8780","10.1039/c4dt00494a","","","0.71073","MoKα","","0.0486","0.0354","","","0.0826","0.0911","","","","","","1.036","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030401","11.3016","0.0016","11.4641","0.0016","23.981","0.003","102.188","0.006","92.647","0.006","107.389","0.005","2878.3","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H63 Dy N2 O10 Zn -","- C67 H63 Dy N2 O10 Zn -","- C134 H126 Dy2 N4 O20 Zn2 -","2","1","","Xie, Qi-Wei; Wu, Shu-Qi; Shi, Wen-Bo; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Heterodinuclear M(II)-Ln(III) single molecule magnets constructed from exchange-coupled single ion magnets.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11309","11316","10.1039/c4dt00740a","","","0.71073","MoKα","","0.0568","0.051","","","0.1044","0.1084","","","","","","1.071","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030402","11.2773","0.0013","11.4817","0.0011","23.93","0.003","102.194","0.006","92.759","0.005","107.234","0.005","2872.2","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H63 Co N2 O10 Y -","- C67 H63 Co N2 O10 Y -","- C134 H126 Co2 N4 O20 Y2 -","2","1","","Xie, Qi-Wei; Wu, Shu-Qi; Shi, Wen-Bo; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Heterodinuclear M(II)-Ln(III) single molecule magnets constructed from exchange-coupled single ion magnets.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11309","11316","10.1039/c4dt00740a","","","0.71073","MoKα","","0.063","0.0512","","","0.1215","0.135","","","","","","1.067","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030403","13.2896","0.0014","15.4553","0.0018","17.974","0.002","88.507","0.005","73.305","0.003","69.809","0.003","3307.9","0.6","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H73.5 Co Dy N5.5 O10 -","- C74 H69 Co Dy N5.5 O10 -","- C148 H138 Co2 Dy2 N11 O20 -","2","1","","Xie, Qi-Wei; Wu, Shu-Qi; Shi, Wen-Bo; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Heterodinuclear M(II)-Ln(III) single molecule magnets constructed from exchange-coupled single ion magnets.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11309","11316","10.1039/c4dt00740a","","","0.71075","MoKα","","0.0356","0.034","","","0.0785","0.0796","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030404","13.2821","0.0017","15.488","0.002","17.966","0.003","88.395","0.005","73.291","0.005","69.967","0.004","3315.4","0.8","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H73.5 Co Gd N5.5 O10 -","- C74 H69 Co Gd N5.5 O10 -","- C148 H138 Co2 Gd2 N11 O20 -","2","1","","Xie, Qi-Wei; Wu, Shu-Qi; Shi, Wen-Bo; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Heterodinuclear M(II)-Ln(III) single molecule magnets constructed from exchange-coupled single ion magnets.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11309","11316","10.1039/c4dt00740a","","","0.71073","MoKα","","0.037","0.0348","","","0.0816","0.0831","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030454","8.6668","0.0002","8.6668","0.0002","30.8408","0.0012","90","","90","","90","","2316.56","0.12","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C24 H40 Cr N2 -","- C24 H40 Cr N2 -","- C96 H160 Cr4 N8 -","4","0.5","","Kreye, Markus; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Coordination chemistry of sterically encumbered pyrrolyl ligands to chromium(ii): mono(pyrrolyl)chromium and diazachromocene formation.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9052","9060","10.1039/c4dt00533c","","","0.71073","MoKα","","0.0279","0.0265","","","0.0658","0.0663","","","","","","1.131","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7030455","9.0267","0.0005","32.0929","0.0016","10.4615","0.0006","90","","114.962","0.007","90","","2747.5","0.3","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Cr N2 -","- C28 H48 Cr N2 -","- C112 H192 Cr4 N8 -","4","1","","Kreye, Markus; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Coordination chemistry of sterically encumbered pyrrolyl ligands to chromium(ii): mono(pyrrolyl)chromium and diazachromocene formation.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9052","9060","10.1039/c4dt00533c","","","1.54184","CuKα","","0.0651","0.0587","","","0.1482","0.1538","","","","","","1.044","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7030456","8.0202","0.0002","15.7066","0.0004","14.2953","0.0004","90","","103.847","0.004","90","","1748.45","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Cl2 Cr2 N2 O2 -","- C32 H56 Cl2 Cr2 N2 O2 -","- C64 H112 Cl4 Cr4 N4 O4 -","2","0.5","","Kreye, Markus; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Coordination chemistry of sterically encumbered pyrrolyl ligands to chromium(ii): mono(pyrrolyl)chromium and diazachromocene formation.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9052","9060","10.1039/c4dt00533c","","","0.71073","MoKα","","0.0358","0.0287","","","0.0617","0.0644","","","","","","1.046","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7030457","9.6784","0.0004","17.7933","0.0007","12.8412","0.0005","90","","93.221","0.004","90","","2207.9","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 Cl Cr N3 -","- C20 H40 Cl Cr N3 -","- C80 H160 Cl4 Cr4 N12 -","4","1","","Kreye, Markus; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Coordination chemistry of sterically encumbered pyrrolyl ligands to chromium(ii): mono(pyrrolyl)chromium and diazachromocene formation.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9052","9060","10.1039/c4dt00533c","","","1.54184","CuKα","","0.0355","0.0305","","","0.0745","0.077","","","","","","1.042","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030458","10.2638","0.0004","12.3091","0.0006","13.8743","0.0006","89.431","0.004","88.919","0.004","89.248","0.004","1752.31","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Cl2 Cr2 -","- C34 H58 Cl2 Cr2 -","- C68 H116 Cl4 Cr4 -","2","1","","Kreye, Markus; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Coordination chemistry of sterically encumbered pyrrolyl ligands to chromium(ii): mono(pyrrolyl)chromium and diazachromocene formation.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9052","9060","10.1039/c4dt00533c","","","0.71073","MoKα","","0.0569","0.0302","","","0.0601","0.0625","","","","","","0.838","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7030459","6.729","0.0007","6.9404","0.0005","10.6748","0.0011","90","","105.789","0.006","90","","479.72","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C2 H8 Bi Ge N S4 -","- C2 H8 Bi Ge N S4 -","- C4 H16 Bi2 Ge2 N2 S8 -","2","1","","Feng, Mei-Ling; Qi, Xing-Hui; Zhang, Bo; Huang, Xiao-Ying","[(Me)2NH2][BiGeS4]: the first organically directed bismuth thiogermanate with Rb(+) ion exchange property.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8184","8187","10.1039/c4dt00173g","","","0.71073","MoKα","","0.0465","0.0447","","","0.0839","0.0844","","","","","","0.999","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030460","15.04","0.006","11.524","0.005","16.288","0.006","90","","90","","90","","2823","2","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C26 H30 Cl F6 N4 O P Ru -","- C26 H30 Cl F6 N4 O P Ru -","- C104 H120 Cl4 F24 N16 O4 P4 Ru4 -","4","0.5","","Haghighi, Farid Hajareh; Hadadzadeh, Hassan; Farrokhpour, Hossein; Serri, Nafiseh; Abdi, Khatereh; Amiri Rudbari, Hadi","Computational and experimental study on the electrocatalytic reduction of CO2 to CO by a new mononuclear ruthenium(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11317","11332","10.1039/c4dt00932k","","","0.71073","MoKα","","0.0556","0.0405","","","0.108","0.119","","","","","","1.069","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030461","10.9453","0.0002","20.3553","0.0004","27.9598","0.0007","90","","90","","90","","6229.3","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C141 H114 Cl6 Cu4 Fe4 N4 P4 -","- C141 H114 Cl6 Cu4 Fe4 N4 P4 -","- C282 H228 Cl12 Cu8 Fe8 N8 P8 -","2","0.5","","Shah, Hakikulla H.; Al-Balushi, Rayya A; Al-Suti, Mohammed K; Khan, Muhammad S.; Marken, Frank; Sudlow, Anna L.; Kociok-Köhn, Gabriele; Woodall, Christopher H.; Raithby, Paul R.; Molloy, Kieran C.","New di-ferrocenyl-ethynylpyridinyl triphenylphosphine copper halide complexes and related di-ferricenyl electro-crystallized materials.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9497","9507","10.1039/c3dt52914b","","","0.71073","MoKα","","0.1276","0.0985","","","0.2548","0.2793","","","","","","1.02","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030462","11.0168","0.0003","20.5385","0.0006","27.5647","0.0008","90","","90","","90","","6237","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C70.3 H57.6 Br2 Cl0.6 Cu2 Fe2 N2 P2 -","- C70.3 H57.6 Br2 Cl0.6 Cu2 Fe2 N2 P2 -","- C281.2 H230.4 Br8 Cl2.4 Cu8 Fe8 N8 P8 -","4","1","","Shah, Hakikulla H.; Al-Balushi, Rayya A; Al-Suti, Mohammed K; Khan, Muhammad S.; Marken, Frank; Sudlow, Anna L.; Kociok-Köhn, Gabriele; Woodall, Christopher H.; Raithby, Paul R.; Molloy, Kieran C.","New di-ferrocenyl-ethynylpyridinyl triphenylphosphine copper halide complexes and related di-ferricenyl electro-crystallized materials.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9497","9507","10.1039/c3dt52914b","","","0.71073","MoKα","","0.1203","0.0729","","","0.1573","0.1765","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030463","10.1206","0.0004","12.6511","0.0006","13.6628","0.0007","104.106","0.004","106.75","0.004","107.782","0.004","1485.78","0.15","150.15","","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H28 Cu Fe I N P -","- C35 H28 Cu Fe I N P -","- C70 H56 Cu2 Fe2 I2 N2 P2 -","2","1","","Shah, Hakikulla H.; Al-Balushi, Rayya A; Al-Suti, Mohammed K; Khan, Muhammad S.; Marken, Frank; Sudlow, Anna L.; Kociok-Köhn, Gabriele; Woodall, Christopher H.; Raithby, Paul R.; Molloy, Kieran C.","New di-ferrocenyl-ethynylpyridinyl triphenylphosphine copper halide complexes and related di-ferricenyl electro-crystallized materials.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9497","9507","10.1039/c3dt52914b","","","0.71073","MoKα","","0.0579","0.0386","","","0.0798","0.0889","","","","","","1.024","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030464","10.4945","0.0004","19.6731","0.0007","19.6007","0.0006","90","","94.307","0.001","90","","4035.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 N2 Pt -","- C41 H38 N2 Pt -","- C164 H152 N8 Pt4 -","4","1","","Batcup, Rhys; Annibale, Vincent T.; Song, Datong","Heterodinuclear complexes of 4,5-diazafluorene derivatives displaying η(5),κ(2)-[N,N] and η(5),κ(1)-N coordination modes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8951","8958","10.1039/c4dt01165a","","","0.71073","MoKα","","0.0289","0.0229","","","0.0639","0.0658","","","","","","1.061","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030465","12.0476","0.0006","15.8026","0.0007","12.8251","0.0007","90","","114.284","0.002","90","","2225.64","0.19","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H57 K N2 O4 Pt -","- C49 H57 K N2 O4 Pt -","- C98 H114 K2 N4 O8 Pt2 -","2","1","","Batcup, Rhys; Annibale, Vincent T.; Song, Datong","Heterodinuclear complexes of 4,5-diazafluorene derivatives displaying η(5),κ(2)-[N,N] and η(5),κ(1)-N coordination modes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8951","8958","10.1039/c4dt01165a","","","0.71073","MoKα","","0.0637","0.0503","","","0.1132","0.1182","","","","","","1.11","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030466","12.0472","0.0007","14.7379","0.0011","15.9362","0.0011","97.095","0.003","91.064","0.003","101.555","0.003","2748.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N2 Pt Ru -","- C33 H32 N2 Pt Ru -","- C132 H128 N8 Pt4 Ru4 -","4","2","","Batcup, Rhys; Annibale, Vincent T.; Song, Datong","Heterodinuclear complexes of 4,5-diazafluorene derivatives displaying η(5),κ(2)-[N,N] and η(5),κ(1)-N coordination modes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8951","8958","10.1039/c4dt01165a","","","0.71073","MoKα","","0.0595","0.0364","","","0.064","0.0708","","","","","","1.011","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030467","15.6887","0.0004","15.7554","0.0004","17.7728","0.0005","90","","106.065","0.001","90","","4221.55","0.19","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H52 N2 Pt Ru -","- C51 H52 N2 Pt Ru -","- C204 H208 N8 Pt4 Ru4 -","4","1","","Batcup, Rhys; Annibale, Vincent T.; Song, Datong","Heterodinuclear complexes of 4,5-diazafluorene derivatives displaying η(5),κ(2)-[N,N] and η(5),κ(1)-N coordination modes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8951","8958","10.1039/c4dt01165a","","","0.71073","MoKα","","0.13","0.0805","","","0.1056","0.1186","","","","","","1.262","","","","has coordinates,has disorder","180010","2020-10-21","18:00:00",""
"7030468","12.4483","0.0004","18.2682","0.0004","21.5571","0.0007","90","","121.838","0.001","90","","4164.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 Cl2 Fe N2 Ru -","- C39 H42 Cl2 Fe N2 Ru -","- C156 H168 Cl8 Fe4 N8 Ru4 -","4","1","","Batcup, Rhys; Annibale, Vincent T.; Song, Datong","Heterodinuclear complexes of 4,5-diazafluorene derivatives displaying η(5),κ(2)-[N,N] and η(5),κ(1)-N coordination modes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8951","8958","10.1039/c4dt01165a","","","0.71073","MoKα","","0.0697","0.0604","","","0.1856","0.1921","","","","","","1.064","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030469","18.1283","0.0007","17.5351","0.0005","23.7893","0.0009","90","","90","","90","","7562.2","0.5","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C39 H42 Cl2 Co N2 Ru -","- C39 H42 Cl2 Co N2 Ru -","- C312 H336 Cl16 Co8 N16 Ru8 -","8","2","","Batcup, Rhys; Annibale, Vincent T.; Song, Datong","Heterodinuclear complexes of 4,5-diazafluorene derivatives displaying η(5),κ(2)-[N,N] and η(5),κ(1)-N coordination modes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8951","8958","10.1039/c4dt01165a","","","0.71073","MoKα","","0.1242","0.0573","","","0.1026","0.1218","","","","","","0.985","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030470","24.8011","0.0009","17.2929","0.0007","17.4643","0.0008","90","","95.421","0.001","90","","7456.6","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 Cl Cu N2 O Ru -","- C41 H47 Cl Cu N2 O Ru -","- C328 H376 Cl8 Cu8 N16 O8 Ru8 -","8","2","","Batcup, Rhys; Annibale, Vincent T.; Song, Datong","Heterodinuclear complexes of 4,5-diazafluorene derivatives displaying η(5),κ(2)-[N,N] and η(5),κ(1)-N coordination modes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8951","8958","10.1039/c4dt01165a","","","0.71073","MoKα","","0.0928","0.0543","","","0.1281","0.1478","","","","","","1.018","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030471","10.612","0.003","15.222","0.005","18.311","0.006","90","","90","","90","","2957.9","1.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F24 O6 S W -","- C18 H18 F24 O6 S W -","- C72 H72 F96 O24 S4 W4 -","4","1","","Bonsu, Richard O.; Kim, Hankook; O'Donohue, Christopher; Korotkov, Roman Y.; McClain, K. Randall; Abboud, Khalil A.; Ellsworth, Ashley A.; Walker, Amy V.; Anderson, Timothy J.; McElwee-White, Lisa","Partially fluorinated oxo-alkoxide tungsten(vi) complexes as precursors for deposition of WOx nanomaterials.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9226","9233","10.1039/c4dt00407h","","","0.71073","MoKα","","0.0233","0.0223","","","0.0582","0.0586","","","","","","1.081","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030472","20.1356","0.0018","6.0103","0.0006","20.6144","0.0019","90","","112.173","0.002","90","","2310.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 F12 O5 W -","- C16 H24 F12 O5 W -","- C64 H96 F48 O20 W4 -","4","0.5","","Bonsu, Richard O.; Kim, Hankook; O'Donohue, Christopher; Korotkov, Roman Y.; McClain, K. Randall; Abboud, Khalil A.; Ellsworth, Ashley A.; Walker, Amy V.; Anderson, Timothy J.; McElwee-White, Lisa","Partially fluorinated oxo-alkoxide tungsten(vi) complexes as precursors for deposition of WOx nanomaterials.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9226","9233","10.1039/c4dt00407h","","","0.71073","MoKα","","0.0223","0.0202","","","0.0432","0.0441","","","","","","1.04","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030473","9.5873","0.0019","27.125","0.005","13.096","0.003","90","","110.38","0.03","90","","3192.5","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cl2 N3 P2 Pd -","- C33 H31 Cl2 N3 P2 Pd -","- C132 H124 Cl8 N12 P8 Pd4 -","4","1","","He, Run-Tian; Wang, Jian-Feng; Wang, Hui-Fang; Ren, Zhi-Gang; Lang, Jian-Ping","Palladium dichloride adduct of N,N-bis-(diphenylphosphanylmethyl)-2-aminopyridine: synthesis, structure and catalytic performance in the decarboxylative cross-coupling of 4-picolinic acid with aryl bromide.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9786","9794","10.1039/c4dt00815d","","","0.71073","MoKα","","0.0459","0.0337","","","0.0644","0.0682","","","","","","1.036","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030474","12.644","0.001","16.798","0.002","17.833","0.002","90","","104.01","0.01","90","","3675","0.7","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Chloro-Bis-(mu-((diphenylphosphino)methyl)benzene-1,2-bis(olato))-dimethylfo rmamid-Gallium(III)-Palladium(II)","","- C41 H37 Cl Ga N O5 P2 Pd -","- C41 H37 Cl Ga N O5 P2 Pd -","- C164 H148 Cl4 Ga4 N4 O20 P8 Pd4 -","4","1","","Bauer, G.; Nieger, M.; Gudat, D.","Heterobimetallic catechol-phosphine complexes with palladium and a group-13 element: structural flexibility and dynamics.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8911","8920","10.1039/c4dt00785a","","","0.71073","MoKα","","0.0978","0.0531","","","0.0776","0.0877","","","","","","1.069","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030475","12.393","0.002","13.325","0.002","13.465","0.002","96.11","0.01","112.09","0.01","97.42","0.01","2013.8","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Acetylacetonato-Bis-(mu-((diphenylphosphino)methyl)benzene-1,2-bis(olato))-A luminium(III)-Palladium(II)","","- C45 H45 Al O8 P2 Pd -","- C45 H45 Al O8 P2 Pd -","- C90 H90 Al2 O16 P4 Pd2 -","2","1","","Bauer, G.; Nieger, M.; Gudat, D.","Heterobimetallic catechol-phosphine complexes with palladium and a group-13 element: structural flexibility and dynamics.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8911","8920","10.1039/c4dt00785a","","","0.71073","MoKα","","0.1322","0.0759","","","0.1556","0.1802","","","","","","1.041","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030476","22.608","0.002","13.568","0.001","13.497","0.001","90","","116.15","0.01","90","","3716.4","0.6","123","2","123","2","","","","","","","","7","C 1 2 1","C 2y","5","","Tris-(mu-((diphenylphosphino)methyl)benzene-1,2-bis(olato)-(mu-((diphenylpho sphino)methyl)-6-hydroxyphenolato)-aluminium(III)-dipalladium(II)","","- C78 H65 Al Cl4 O8 P4 Pd2 -","- C76 H61 Al O8 P4 Pd2 -","- C152 H122 Al2 O16 P8 Pd4 -","2","0.5","","Bauer, G.; Nieger, M.; Gudat, D.","Heterobimetallic catechol-phosphine complexes with palladium and a group-13 element: structural flexibility and dynamics.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8911","8920","10.1039/c4dt00785a","","","0.71073","MoKα","","0.13","0.07","","","0.1309","0.1475","","","","","","0.947","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030477","11.116","0.001","19.005","0.002","20.826","0.002","100.09","0.01","103.19","0.01","99.94","0.01","4112.3","0.8","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H84 Cl2 In2 O12 P4 Pd2 -","- C88 H84 Cl2 In2 O12 P4 Pd2 -","- C176 H168 Cl4 In4 O24 P8 Pd4 -","2","1","","Bauer, G.; Nieger, M.; Gudat, D.","Heterobimetallic catechol-phosphine complexes with palladium and a group-13 element: structural flexibility and dynamics.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8911","8920","10.1039/c4dt00785a","","","0.71073","MoKα","","0.114","0.0571","","","0.1048","0.1238","","","","","","1.019","","","","has coordinates,has disorder","180010","2020-10-21","18:00:00",""
"7030478","11.0431","0.0005","12.1413","0.0006","17.339","0.0008","90","","92.328","0.001","90","","2322.85","0.19","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cl2 N4 O Ru S -","- C21 H28 Cl2 N4 O Ru S -","- C84 H112 Cl8 N16 O4 Ru4 S4 -","4","1","","Dakkach, Mohamed; Fontrodona, Xavier; Parella, Teodor; Atlamsani, Ahmed; Romero, Isabel; Rodríguez, Montserrat","Polypyrrole-functionalized ruthenium carbene catalysts as efficient heterogeneous systems for olefin epoxidation.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9916","9923","10.1039/c4dt00698d","","","0.71073","MoKα","","0.0294","0.0257","","","0.0674","0.0694","","","","","","1.049","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030479","9.495","0.006","15.469","0.01","16.457","0.01","102.506","0.009","90.074","0.009","94.764","0.01","2351","3","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H28 Cl2 N4 O Ru S -","- C21 H28 Cl2 N4 O Ru S -","- C84 H112 Cl8 N16 O4 Ru4 S4 -","4","2","","Dakkach, Mohamed; Fontrodona, Xavier; Parella, Teodor; Atlamsani, Ahmed; Romero, Isabel; Rodríguez, Montserrat","Polypyrrole-functionalized ruthenium carbene catalysts as efficient heterogeneous systems for olefin epoxidation.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9916","9923","10.1039/c4dt00698d","","","0.71073","MoKα","","0.2396","0.1806","","","0.4341","0.4656","","","","","","1.09","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030480","13.0662","0.0003","14.7659","0.0003","15.3925","0.0003","90","","90.296","0.002","90","","2969.7","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Cu1.5 N16 O3 -","- C21 H29 Cu1.5 N16 O3 -","- C84 H116 Cu6 N64 O12 -","4","1","","Nasani, Rajendar; Saha, Manideepa; Mobin, Shaikh M.; Martins, Luísa M D R S; Pombeiro, Armando J. L.; Kirillov, Alexander M.; Mukhopadhyay, Suman","Copper-organic frameworks assembled from in situ generated 5-(4-pyridyl)tetrazole building blocks: synthesis, structural features, topological analysis and catalytic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9944","9954","10.1039/c4dt00531g","","","0.71073","MoKα","","0.0404","0.0363","","","0.0971","0.1002","","","","","","1.099","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030481","11.9883","0.0007","16.0417","0.0006","13.0715","0.0007","90","","90","","90","","2513.8","0.2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cu N10 O2 -","- C12 H8 Cu N10 O2 -","- C48 H32 Cu4 N40 O8 -","4","0.5","","Nasani, Rajendar; Saha, Manideepa; Mobin, Shaikh M.; Martins, Luísa M D R S; Pombeiro, Armando J. L.; Kirillov, Alexander M.; Mukhopadhyay, Suman","Copper-organic frameworks assembled from in situ generated 5-(4-pyridyl)tetrazole building blocks: synthesis, structural features, topological analysis and catalytic oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9944","9954","10.1039/c4dt00531g","","","0.71073","MoKα","","0.0741","0.0587","","","0.1743","0.1858","","","","","","1.091","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030482","15.8718","0.0002","15.8718","0.0002","15.8718","0.0002","106.639","0.001","106.639","0.001","106.639","0.001","3362.1","0.09","293","2","293","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C22 H29.08 Cl Cu N2 O1.04 -","- C22 H29 Cl Cu N2 O1.04167 -","- C132 H174 Cl6 Cu6 N12 O6.25 -","6","1","","Barwiolek, Magdalena; Szlyk, Edward; Berg, Andrzej; Wojtczak, Andrzej; Muziol, Tadeusz; Jezierska, Julia","Structural studies of copper(ii) complexes with 2-(2-aminoethyl)pyridine derived Schiff bases and application as precursors of thin organic-inorganic layers.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9924","9933","10.1039/c4dt00654b","","x-ray","0.71073","MoKα","","0.0548","0.0381","","","0.106","0.1103","","","","","","1","","","","has coordinates,has disorder","180010","2020-10-21","18:00:00",""
"7030483","17.296","0.002","11.9783","0.0009","12.193","0.0011","90","","105.196","0.012","90","","2437.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cu N2 O3 -","- C24 H32 Cu N2 O3 -","- C96 H128 Cu4 N8 O12 -","4","1","","Barwiolek, Magdalena; Szlyk, Edward; Berg, Andrzej; Wojtczak, Andrzej; Muziol, Tadeusz; Jezierska, Julia","Structural studies of copper(ii) complexes with 2-(2-aminoethyl)pyridine derived Schiff bases and application as precursors of thin organic-inorganic layers.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9924","9933","10.1039/c4dt00654b","","","0.71073","MoKα","","0.1411","0.0516","","","0.1022","0.1249","","","","","","0.849","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7030484","8.987","0.003","9.377","0.003","11.493","0.004","82.844","0.005","86.976","0.005","78.416","0.005","941","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H38 Br2 Cl2 Fe2 N4 O4 Pd -","- C36 H38 Br2 Cl2 Fe2 N4 O4 Pd -","- C36 H38 Br2 Cl2 Fe2 N4 O4 Pd -","1","0.5","","Obuah, Collins; Munyaneza, Apollinaire; Guzei, Ilia A.; Darkwa, James","Ferrocenylpyrazolyl palladium complexes as catalysts for the polymerisation of 1-heptene and 1-octene to highly branched polyolefins.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8940","8950","10.1039/c4dt00931b","","","0.71073","Mo-Kα","","0.0578","0.0472","","","0.1077","0.1106","","","","","","0.972","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7030485","10.3794","0.001","10.6414","0.001","11.7203","0.0011","73.826","0.001","65.091","0.001","68.185","0.001","1078.51","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H46 Br2 Cl2 Fe2 N4 O4 Pd -","- C43 H46 Br2 Cl2 Fe2 N4 O4 Pd -","- C43 H46 Br2 Cl2 Fe2 N4 O4 Pd -","1","0.5","","Obuah, Collins; Munyaneza, Apollinaire; Guzei, Ilia A.; Darkwa, James","Ferrocenylpyrazolyl palladium complexes as catalysts for the polymerisation of 1-heptene and 1-octene to highly branched polyolefins.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8940","8950","10.1039/c4dt00931b","","","0.71073","Mo-Kα","","0.0539","0.0443","","","0.1187","0.125","","","","","","0.948","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7030486","36.226","0.005","8.0372","0.0009","15.4503","0.0019","90","","103.443","0.003","90","","4375.2","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 Cl4 Fe N3 Pd -","- C20 H19 Cl4 Fe N3 Pd -","- C160 H152 Cl32 Fe8 N24 Pd8 -","8","1","","Obuah, Collins; Munyaneza, Apollinaire; Guzei, Ilia A.; Darkwa, James","Ferrocenylpyrazolyl palladium complexes as catalysts for the polymerisation of 1-heptene and 1-octene to highly branched polyolefins.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8940","8950","10.1039/c4dt00931b","","","0.71073","MoKα","","0.0693","0.0417","","","0.0835","0.0948","","","","","","1.017","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030487","29.4156","0.0008","11.9238","0.0003","21.4772","0.0005","90","","129.709","0.0013","90","","5795.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Fe N2 O2 -","- C16 H16 Fe N2 O2 -","- C256 H256 Fe16 N32 O32 -","16","2","","Obuah, Collins; Munyaneza, Apollinaire; Guzei, Ilia A.; Darkwa, James","Ferrocenylpyrazolyl palladium complexes as catalysts for the polymerisation of 1-heptene and 1-octene to highly branched polyolefins.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8940","8950","10.1039/c4dt00931b","","","1.54178","Cu-Kα","","0.0732","0.0641","","","0.1632","0.169","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7030488","14.5633","0.0012","9.9132","0.0008","10.7526","0.0008","90","","103.195","0.002","90","","1511.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Fe N3 -","- C19 H17 Fe N3 -","- C76 H68 Fe4 N12 -","4","1","","Obuah, Collins; Munyaneza, Apollinaire; Guzei, Ilia A.; Darkwa, James","Ferrocenylpyrazolyl palladium complexes as catalysts for the polymerisation of 1-heptene and 1-octene to highly branched polyolefins.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8940","8950","10.1039/c4dt00931b","","","0.71073","MoKα","","0.0299","0.0244","","","0.0608","0.0642","","","","","","1.038","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030489","10.4116","0.0008","14.0672","0.001","10.8334","0.0008","90","","91.106","0.002","90","","1586.4","0.2","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Fe N3 -","- C20 H19 Fe N3 -","- C80 H76 Fe4 N12 -","4","1","","Obuah, Collins; Munyaneza, Apollinaire; Guzei, Ilia A.; Darkwa, James","Ferrocenylpyrazolyl palladium complexes as catalysts for the polymerisation of 1-heptene and 1-octene to highly branched polyolefins.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8940","8950","10.1039/c4dt00931b","","","0.71073","MoKα","","0.0357","0.0308","","","0.0837","0.0881","","","","","","1.047","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030743","13.6304","0.0013","13.4681","0.0013","13.6781","0.0014","90","","119.219","0.014","90","","2191.5","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[CoCl(6-MeTPA)]PF6","","","- C19 H20 Cl Co F6 N4 P -","- C19 H20 Cl Co F6 N4 P -","- C76 H80 Cl4 Co4 F24 N16 P4 -","4","1","","Massoud, Salah S.; Perkins, Richard S.; Louka, Febee R.; Xu, Wu; Le Roux, Anne; Dutercq, Quentin; Fischer, Roland C.; Mautner, Franz A.; Handa, Makoto; Hiraoka, Yuya; Kreft, Gabriel L.; Bortolotto, Tiago; Terenzi, Hernán","Efficient hydrolytic cleavage of plasmid DNA by chloro-cobalt(ii) complexes based on sterically hindered pyridyl tripod tetraamine ligands: synthesis, crystal structure and DNA cleavage.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10086","10103","10.1039/c4dt00615a","","","0.71073","MoKα","","0.0522","0.0506","","","0.1158","0.1167","","","","","","1.109","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030744","14.029","0.0012","14.055","0.0013","12.5854","0.0014","90","","109.197","0.014","90","","2343.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[CoCl(6-Me2TPA)]PF6","","","- C20 H22 Cl Co F6 N4 P -","- C20 H22 Cl Co F6 N4 P -","- C80 H88 Cl4 Co4 F24 N16 P4 -","4","1","","Massoud, Salah S.; Perkins, Richard S.; Louka, Febee R.; Xu, Wu; Le Roux, Anne; Dutercq, Quentin; Fischer, Roland C.; Mautner, Franz A.; Handa, Makoto; Hiraoka, Yuya; Kreft, Gabriel L.; Bortolotto, Tiago; Terenzi, Hernán","Efficient hydrolytic cleavage of plasmid DNA by chloro-cobalt(ii) complexes based on sterically hindered pyridyl tripod tetraamine ligands: synthesis, crystal structure and DNA cleavage.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10086","10103","10.1039/c4dt00615a","","","0.71073","MoKα","","0.0663","0.0604","","","0.1471","0.1507","","","","","","1.138","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030745","33.652","0.002","9.7685","0.0006","15.7094","0.0009","90","","90.83","0.002","90","","5163.6","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[CoCl(BQPA)]PF6","","","- C26 H22 Cl Co F6 N4 P -","- C26 H22 Cl Co F6 N4 P -","- C208 H176 Cl8 Co8 F48 N32 P8 -","8","1","","Massoud, Salah S.; Perkins, Richard S.; Louka, Febee R.; Xu, Wu; Le Roux, Anne; Dutercq, Quentin; Fischer, Roland C.; Mautner, Franz A.; Handa, Makoto; Hiraoka, Yuya; Kreft, Gabriel L.; Bortolotto, Tiago; Terenzi, Hernán","Efficient hydrolytic cleavage of plasmid DNA by chloro-cobalt(ii) complexes based on sterically hindered pyridyl tripod tetraamine ligands: synthesis, crystal structure and DNA cleavage.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10086","10103","10.1039/c4dt00615a","","","0.71073","MoKα","","0.0298","0.0252","","","0.0654","0.0682","","","","","","1.038","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030746","13.98","0.0012","13.6286","0.0014","14.0348","0.0015","90","","117.119","0.014","90","","2380","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Co(BPQA)Cl]PF6.(H2O)0.20","","","- C22 H20.4 Cl Co F6 N4 O0.2 P -","- C22 H20 Cl Co F6 N4 O0.2 P -","- C88 H80 Cl4 Co4 F24 N16 O0.8 P4 -","4","1","","Massoud, Salah S.; Perkins, Richard S.; Louka, Febee R.; Xu, Wu; Le Roux, Anne; Dutercq, Quentin; Fischer, Roland C.; Mautner, Franz A.; Handa, Makoto; Hiraoka, Yuya; Kreft, Gabriel L.; Bortolotto, Tiago; Terenzi, Hernán","Efficient hydrolytic cleavage of plasmid DNA by chloro-cobalt(ii) complexes based on sterically hindered pyridyl tripod tetraamine ligands: synthesis, crystal structure and DNA cleavage.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10086","10103","10.1039/c4dt00615a","","","0.71073","MoKα","","0.039","0.0369","","","0.0965","0.0981","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030747","21.293","0.003","12.0998","0.0018","9.2966","0.0014","90","","107.951","0.005","90","","2278.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H8 N2 O8 Re2 S4 -","- C20 H8 N2 O8 Re2 S4 -","- C80 H32 N8 O32 Re8 S16 -","4","0.5","","Tzeng, Biing-Chiau; Chao, An; Banik, Manas","Ligand-coupling assembly of Re(i)-thiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11510","11515","10.1039/c4dt00791c","","","0.71073","MoKα","","0.0172","0.0167","","","0.0448","0.0451","","","","","","1.221","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030748","7.431","0.003","9.156","0.004","9.918","0.004","73.722","0.006","70.374","0.006","74.707","0.006","599.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H8 N2 O6 Re2 S6 -","- C20 H8 N2 O6 Re2 S6 -","- C20 H8 N2 O6 Re2 S6 -","1","0.5","","Tzeng, Biing-Chiau; Chao, An; Banik, Manas","Ligand-coupling assembly of Re(i)-thiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11510","11515","10.1039/c4dt00791c","","","0.71073","MoKα","","0.0198","0.0191","","","0.0461","0.0466","","","","","","1.08","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030749","15.037","0.004","8.393","0.002","14.851","0.004","90","","95.905","0.005","90","","1864.3","0.8","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 N2 O3 Re S4 -","- C17 H9 N2 O3 Re S4 -","- C68 H36 N8 O12 Re4 S16 -","4","1","","Tzeng, Biing-Chiau; Chao, An; Banik, Manas","Ligand-coupling assembly of Re(i)-thiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11510","11515","10.1039/c4dt00791c","","","0.71073","MoKα","","0.0476","0.0325","","","0.0659","0.0733","","","","","","1.048","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030750","17.237","0.002","17.237","0.002","25.135","0.004","90","","90","","120","","6467.4","1.5","150","2","150","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C98 H164 Gd7 N6 O44 -","- C98 H120 Gd7 N6 O43.98 -","- C196 H240 Gd14 N12 O87.96 -","2","0.166667","","Mazarakioti, Eleni C.; Poole, Katye M.; Cunha-Silva, Luis; Christou, George; Stamatatos, Theocharis C.","A new family of Ln7 clusters with an ideal D3h metal-centered trigonal prismatic geometry, and SMM and photoluminescence behaviors.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11456","11460","10.1039/c4dt00976b","","","0.71073","MoKα","","0.042","0.0334","","","0.0764","0.078","","","","","","1.169","","","","has coordinates,has disorder","180013","2020-10-21","18:00:00",""
"7030751","15.7469","0.0009","15.7469","0.0009","27.835","0.003","90","","90","","120","","5977.4","0.8","150","2","150","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C90 H132 N6 O36 Tb7 -","- C90 H120 N6 O36 Tb7 -","- C180 H240 N12 O72 Tb14 -","2","0.166667","","Mazarakioti, Eleni C.; Poole, Katye M.; Cunha-Silva, Luis; Christou, George; Stamatatos, Theocharis C.","A new family of Ln7 clusters with an ideal D3h metal-centered trigonal prismatic geometry, and SMM and photoluminescence behaviors.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11456","11460","10.1039/c4dt00976b","","","0.71073","MoKα","","0.0957","0.0893","","","0.218","0.2228","","","","","","1.119","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030752","15.5912","0.0007","15.5912","0.0007","28.0106","0.0013","90","","90","","120","","5896.7","0.5","150","2","150","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C93 H144 Dy7 N6 O39 -","- C93 H144 Dy7 N6 O39 -","- C186 H288 Dy14 N12 O78 -","2","0.166667","","Mazarakioti, Eleni C.; Poole, Katye M.; Cunha-Silva, Luis; Christou, George; Stamatatos, Theocharis C.","A new family of Ln7 clusters with an ideal D3h metal-centered trigonal prismatic geometry, and SMM and photoluminescence behaviors.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11456","11460","10.1039/c4dt00976b","","","0.71073","MoKα","","0.0759","0.0726","","","0.1541","0.1554","","","","","","1.275","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030753","11.507","0.004","12.912","0.005","17.853","0.005","97.274","0.004","100.839","0.005","102.255","0.005","2507.3","1.5","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H55 Dy N12 O15 -","- C48 H55 Dy N12 O15 -","- C96 H110 Dy2 N24 O30 -","2","1","","Batchelor, Luke J.; Cimatti, Irene; Guillot, Régis; Tuna, Floriana; Wernsdorfer, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Campbell, Victoria E.; Mallah, Talal","Chemical tuning of the magnetic relaxation in dysprosium(iii) mononuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12146","12149","10.1039/c4dt00846d","","x-ray","0.71073","MoKα","","0.0233","0.0212","","","0.054","0.056","","","","","","1.119","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030754","11.9478","0.0009","12.452","0.0009","18.3958","0.0012","95.818","0.002","102.994","0.002","108.904","0.002","2477.4","0.3","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H47 Dy N13 O15.5 -","- C46 H47 Dy N13 O15.5 -","- C92 H94 Dy2 N26 O31 -","2","1","","Batchelor, Luke J.; Cimatti, Irene; Guillot, Régis; Tuna, Floriana; Wernsdorfer, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Campbell, Victoria E.; Mallah, Talal","Chemical tuning of the magnetic relaxation in dysprosium(iii) mononuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12146","12149","10.1039/c4dt00846d","","x-ray","0.71073","MoKα","","0.0689","0.0569","","","0.1473","0.1558","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030755","16.5848","0.0005","12.0621","0.0003","20.9865","0.0006","90","","112.737","0.001","90","","3872.04","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 N3 P2 Ti -","- C41 H57 N3 P2 Ti -","- C164 H228 N12 P8 Ti4 -","4","1","","Hickey, Anne K.; Crestani, Marco G.; Fout, Alison R.; Gao, Xinfeng; Chen, Chun-Hsing; Mindiola, Daniel J.","Dehydrogenation of hydrocarbons with metal-carbon multiple bonds and trapping of a titanium(ii) intermediate.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9834","9837","10.1039/c4dt01037j","","","0.71073","MoKα","","0.0695","0.0473","","","0.1262","0.1381","","","","","","1.055","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030756","19.9069","0.0009","11.4558","0.0004","16.9951","0.0009","90","","115.311","0.006","90","","3503.7","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H51 B6 Co4 O2 -","- C32 H51 B6 Co4 O2 -","- C128 H204 B24 Co16 O8 -","4","1","","Sharmila, Dudekula; Ramalakshmi, Rongala; Chakrahari, Kiran Kumarvarma; Varghese, Babu; Ghosh, Sundargopal","Synthesis, characterization and crystal structure analysis of cobaltaborane and cobaltaheteroborane clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9976","9985","10.1039/c4dt00964a","","","0.71073","MoKα","","0.05","0.048","","","0.1467","0.1487","","","","","","1.168","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030757","9.3527","0.0002","17.1264","0.0003","20.033","0.0003","90","","92.06","0.002","90","","3206.77","0.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 B2 Co2 I Mo2 O6 -","- C26 H35 B2 Co2 I Mo2 O6 -","- C104 H140 B8 Co8 I4 Mo8 O24 -","4","1","","Sharmila, Dudekula; Ramalakshmi, Rongala; Chakrahari, Kiran Kumarvarma; Varghese, Babu; Ghosh, Sundargopal","Synthesis, characterization and crystal structure analysis of cobaltaborane and cobaltaheteroborane clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9976","9985","10.1039/c4dt00964a","","","0.71073","MoKα","","0.038","0.0299","","","0.0684","0.0735","","","","","","1.03","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030758","28.0135","0.0016","8.5928","0.0003","19.9723","0.0012","90","","114.615","0.004","90","","4370.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 B2 Co2 S2 -","- C20 H32 B2 Co2 S2 -","- C160 H256 B16 Co16 S16 -","8","1","","Sharmila, Dudekula; Ramalakshmi, Rongala; Chakrahari, Kiran Kumarvarma; Varghese, Babu; Ghosh, Sundargopal","Synthesis, characterization and crystal structure analysis of cobaltaborane and cobaltaheteroborane clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9976","9985","10.1039/c4dt00964a","","","0.71073","MoKα","","0.0478","0.0359","","","0.0841","0.0927","","","","","","1.067","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030759","9.6049","0.0002","35.0685","0.0009","16.3289","0.0003","90","","90","","90","","5500.1","0.2","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H30 B4 Br4 Co2 -","- C20 H30 B4 Br4 Co2 -","- C160 H240 B32 Br32 Co16 -","8","0.5","","Sharmila, Dudekula; Ramalakshmi, Rongala; Chakrahari, Kiran Kumarvarma; Varghese, Babu; Ghosh, Sundargopal","Synthesis, characterization and crystal structure analysis of cobaltaborane and cobaltaheteroborane clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9976","9985","10.1039/c4dt00964a","","","1.54184","CuKα","","0.0499","0.0481","","","0.1381","0.1415","","","","","","1.076","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7030760","7.46","0.005","13.458","0.009","8.891","0.006","90","","92.448","0.009","90","","891.8","1","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- Br2 Cs2 H2 Hg2 I4 O -","- Br2 Cs2 H2 Hg2 I4 O -","- Br4 Cs4 H4 Hg4 I8 O2 -","2","1","","Wu, Qi; Huang, Yin; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui","Exploration of new second-order nonlinear optical materials of the Cs-Hg-Br-I system.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8899","8904","10.1039/c3dt53463d","","","0.71073","MoKα","","0.0715","0.0501","","","0.0978","0.1082","","","","","","1","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030761","7.43","0.003","21.644","0.007","7.671","0.003","90","","107.962","0.004","90","","1173.5","0.8","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Cs2 H2 Hg3 I8 O -","- Cs2 H2 Hg3 I8 O -","- Cs4 H4 Hg6 I16 O2 -","2","0.5","","Wu, Qi; Huang, Yin; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui","Exploration of new second-order nonlinear optical materials of the Cs-Hg-Br-I system.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8899","8904","10.1039/c3dt53463d","","","0.71073","MoKα","","0.0613","0.0466","","","0.1054","0.114","","","","","","0.953","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030762","13.2019","0.0008","17.8511","0.0011","20.6088","0.0012","107.356","0.001","90.537","0.001","100.865","0.001","4541.4","0.5","90","","91","","","","","","","","","6","P -1","-P 1","2","","","","- C196 H250 Dy N24 O26 Y -","- C196 H250 Dy N24 O26 Y -","- C196 H250 Dy N24 O26 Y -","1","0.5","","Katoh, Keiichi; Asano, Rina; Miura, Akira; Horii, Yoji; Morita, Takaumi; Breedlove, Brian K.; Yamashita, Masahiro","Effect of f-f interactions on quantum tunnelling of the magnetization: mono- and dinuclear Dy(iii) phthalocyaninato triple-decker single-molecule magnets with the same octacoordination environment.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7716","7725","10.1039/c4dt00042k","","","0.71073","MoKα","","0.0408","0.0369","","","0.1033","0.1053","","","","","","1.066","","","","has coordinates,has disorder","180013","2020-10-21","18:00:00",""
"7030763","10.5833","0.0005","10.7937","0.0005","12.7878","0.0006","82.279","0.003","71.692","0.003","64.544","0.003","1252.2","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cl4 Co2 N12 O18 -","- C40 H52 Cl4 Co2 N12 O18 -","- C40 H52 Cl4 Co2 N12 O18 -","1","0.5","","Panja, Anangamohan","Exclusive selectivity of multidentate ligands independent on the oxidation state of cobalt: influence of steric hindrance on dioxygen binding and phenoxazinone synthase activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7760","7770","10.1039/c3dt53546k","","","0.71073","MoKα","","0.1183","0.0945","","","0.213","0.2426","","","","","","1.051","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030764","20.0273","0.0006","12.7577","0.0005","21.1058","0.0008","90","","110.357","0.002","90","","5055.8","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H54 Cl4 Co2 N10 O18 -","- C40 H54 Cl4 Co2 N10 O18 -","- C160 H216 Cl16 Co8 N40 O72 -","4","0.5","","Panja, Anangamohan","Exclusive selectivity of multidentate ligands independent on the oxidation state of cobalt: influence of steric hindrance on dioxygen binding and phenoxazinone synthase activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7760","7770","10.1039/c3dt53546k","","","0.71073","MoKα","","0.1005","0.0789","","","0.2089","0.2272","","","","","","1.045","","","","has coordinates,has disorder","180013","2020-10-21","18:00:00",""
"7030765","9.324","0.004","7.978","0.002","18.741","0.008","90","","93.935","0.002","90","","1390.8","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H30 Cl2 Co N6 O9 -","- C21 H30 Cl2 Co N6 O9 -","- C42 H60 Cl4 Co2 N12 O18 -","2","1","","Panja, Anangamohan","Exclusive selectivity of multidentate ligands independent on the oxidation state of cobalt: influence of steric hindrance on dioxygen binding and phenoxazinone synthase activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7760","7770","10.1039/c3dt53546k","","","0.71073","MoKα","","0.117","0.108","","","0.2657","0.2755","","","","","","1.135","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030766","18.261","0.001","8.2488","0.0005","19.086","0.001","90","","117.836","0.003","90","","2542.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H29 Cl2 Co N5 O9 -","- C20 H29 Cl2 Co N5 O9 -","- C80 H116 Cl8 Co4 N20 O36 -","4","1","","Panja, Anangamohan","Exclusive selectivity of multidentate ligands independent on the oxidation state of cobalt: influence of steric hindrance on dioxygen binding and phenoxazinone synthase activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7760","7770","10.1039/c3dt53546k","","","0.71073","MoKα","","0.1399","0.0995","","","0.2549","0.284","","","","","","1.044","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030767","8.3498","0.0001","20.2191","0.0003","15.6642","0.0003","90","","99.775","0.001","90","","2606.12","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H31 Cl2 Co N5 O9 -","- C21 H31 Cl2 Co N5 O9 -","- C84 H124 Cl8 Co4 N20 O36 -","4","1","","Panja, Anangamohan","Exclusive selectivity of multidentate ligands independent on the oxidation state of cobalt: influence of steric hindrance on dioxygen binding and phenoxazinone synthase activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7760","7770","10.1039/c3dt53546k","","","0.71073","MoKα","","0.0393","0.029","","","0.0695","0.0742","","","","","","1.025","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030768","10.8804","0.0001","14.4926","0.0001","21.7725","0.0002","90","","90","","90","","3433.2","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[K(THF)2][C{N(2,6-iPr2C6H3)}2(CH)C]","","- C35 H51 K N2 O2 -","- C35 H51 K N2 O2 -","- C140 H204 K4 N8 O8 -","4","1","","Waters, Jordan B.; Goicoechea, Jose M.","Alkali metal salts of ditopic carbanionic carbenes as reagents for the synthesis of novel complexes of group 12 and 14 metals.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14239","14248","10.1039/c4dt00954a","","","0.71073","MoKα","","0.0649","0.0548","","","0.1475","0.1564","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030769","22.8186","0.0001","26.9545","0.0002","29.4392","0.0002","90","","90.504","0.001","90","","18106.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[K(18-crown-6)(THF)2][{C[N(2,6-iPr2C6H3)]2(CH)C}2Pb[N(SiMe3)2]]*THF","","- C84 H136 K N5 O9 Pb Si2 -","- C84 H136 K N5 O9 Pb Si2 -","- C672 H1088 K8 N40 O72 Pb8 Si16 -","8","2","","Waters, Jordan B.; Goicoechea, Jose M.","Alkali metal salts of ditopic carbanionic carbenes as reagents for the synthesis of novel complexes of group 12 and 14 metals.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14239","14248","10.1039/c4dt00954a","","","0.71073","MoKα","","0.1023","0.0582","","","0.1177","0.1367","","","","","","1.038","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030770","9.1327","0.0012","26.729","0.004","11.9313","0.0016","90","","104.556","0.002","90","","2819","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DDJS-64","","","- C33 H34 N4 O2 S -","- C33 H34 N4 O2 S -","- C132 H136 N16 O8 S4 -","4","1","","Adhikari, Sangita; Ghosh, Abhijit; Mandal, Sandip; Sengupta, Archya; Chattopadhyay, Ansuman; Sanmartín Matalobos, Jesús; Lohar, Sisir; Das, Debasis","Visible light excitable ON fluorescence and naked eye detection of Cu(2+)via hydrolysis of rhodamine-thiophene conjugate: human breast cancer cell (MCF7) imaging studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7747","7751","10.1039/c4dt00002a","","x-ray","0.71073","MoKα","","0.0886","0.0587","","","0.1462","0.1619","","","","","","1.053","","","","has coordinates,has disorder","180013","2020-10-21","18:00:00",""
"7030771","21.671","0.003","14.9796","0.0019","16.421","0.002","90","","105.867","0.003","90","","5127.5","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H45 Co N4 O1.5 -","- C55.5 H45 Co N4 O1.5 -","- C222 H180 Co4 N16 O6 -","4","1","","Liu, Chun Ran; Qian, Ying Ying; Chan, Kin Shing","Base-promoted aryl-bromine bond cleavage with cobalt(ii) porphyrins via a halogen atom transfer mechanism.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7771","7779","10.1039/c4dt00155a","","","0.71073","MoKα","","0.3032","0.1181","","","0.2926","0.3901","","","","","","0.991","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030772","11.9637","0.0006","20.2286","0.0011","22.2512","0.0012","90","","95.204","0.002","90","","5362.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H54 Cl3 Fe2 N11 O18 -","- C48 H52 Cl0.999 Fe2 N11 O17.996 -","- C192 H208 Cl3.996 Fe8 N44 O71.984 -","4","1","","Jozwiuk, Anna; Ingram, Audrey L.; Powell, Douglas R.; Moubaraki, Boujemaa; Chilton, Nicholas F.; Murray, Keith S.; Houser, Robert P.","Redox and acid-base properties of asymmetric non-heme (hydr)oxo-bridged diiron complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9740","9753","10.1039/c4dt00047a","","","0.71073","MoKα","","0.0647","0.0484","","","0.1118","0.1184","","","","","","1.004","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7030773","11.2712","0.0009","28.767","0.002","18.9977","0.0016","90","","101.48","0.002","90","","6036.6","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C141 H144 B2 Cl2 Fe4 N12 O10 -","- C141 H144 B2 Cl2 Fe4 N12 O10 -","- C282 H288 B4 Cl4 Fe8 N24 O20 -","2","0.5","","Jozwiuk, Anna; Ingram, Audrey L.; Powell, Douglas R.; Moubaraki, Boujemaa; Chilton, Nicholas F.; Murray, Keith S.; Houser, Robert P.","Redox and acid-base properties of asymmetric non-heme (hydr)oxo-bridged diiron complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9740","9753","10.1039/c4dt00047a","","","0.71073","MoKα","","0.046","0.0369","","","0.0975","0.1045","","","","","","0.994","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7030774","12.864","0.0018","13.4112","0.0019","13.0923","0.0019","90","","103.606","0.003","90","","2195.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 Fe2 N6 O6 -","- C48 H58 Fe2 N6 O6 -","- C96 H116 Fe4 N12 O12 -","2","0.5","","Jozwiuk, Anna; Ingram, Audrey L.; Powell, Douglas R.; Moubaraki, Boujemaa; Chilton, Nicholas F.; Murray, Keith S.; Houser, Robert P.","Redox and acid-base properties of asymmetric non-heme (hydr)oxo-bridged diiron complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9740","9753","10.1039/c4dt00047a","","","0.71073","MoKα","","0.0832","0.0504","","","0.0986","0.1103","","","","","","1.006","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7030775","11.074","0.002","12.872","0.002","17.425","0.003","84.588","0.004","86.831","0.004","83.527","0.005","2454.5","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H64 Fe2 N6 O8 -","- C52 H64 Fe2 N6 O8 -","- C104 H128 Fe4 N12 O16 -","2","1","","Jozwiuk, Anna; Ingram, Audrey L.; Powell, Douglas R.; Moubaraki, Boujemaa; Chilton, Nicholas F.; Murray, Keith S.; Houser, Robert P.","Redox and acid-base properties of asymmetric non-heme (hydr)oxo-bridged diiron complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9740","9753","10.1039/c4dt00047a","","","0.71073","MoKα","","0.0787","0.0503","","","0.1087","0.1204","","","","","","1.013","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7030784","13.988","0.002","13.988","0.002","47.981","0.01","90","","90","","120","","8130","2","298","2","298","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C48 H32 Co2 N24 O9 Zn5 -","- C48 H31.98 Co2.03 N24 O8.98 Zn4.97 -","- C288 H191.88 Co12.18 N144 O53.88 Zn29.82 -","6","0.166667","","Li, Yun-Wu; Liu, Sui-Jun; Hu, Tong-Liang; Bu, Xian-He","Doping cobalt into a [Zn7] cluster-based MOF to tune magnetic behaviour and induce fluorescence signal mutation.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11470","11473","10.1039/c4dt00894d","","","0.71073","MoKα","","0.0444","0.0382","","","0.0759","0.0783","","","","","","1.096","","","","has coordinates,has disorder","180013","2020-10-21","18:00:00",""
"7030785","21.764","0.006","10.178","0.002","14.77","0.004","90","","109.431","0.009","90","","3085.4","1.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H35 Cl5 N Nb P4 -","- C22 H35 Cl5 N Nb P4 -","- C88 H140 Cl20 N4 Nb4 P16 -","4","0.5","","Levason, William; Light, Mark E.; Reid, Gillian; Zhang, Wenjian","Soft diphosphine and diarsine complexes of niobium(v) and tantalum(v) fluorides: synthesis, properties, structures and comparisons with the corresponding chlorides.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9557","9566","10.1039/c4dt01029a","","","0.71073","MoKα","","0.0362","0.0327","","","0.065","0.0663","","","","","","1.188","","","","has coordinates,has disorder","180013","2020-10-21","18:00:00",""
"7030786","12.144","0.002","12.638","0.003","14.139","0.003","108.806","0.002","108.034","0.002","102.051","0.002","1834.9","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H37 As4 Cl9 Nb2 O -","- C22 H37 As4 Cl9 Nb2 O -","- C44 H74 As8 Cl18 Nb4 O2 -","2","1","","Levason, William; Light, Mark E.; Reid, Gillian; Zhang, Wenjian","Soft diphosphine and diarsine complexes of niobium(v) and tantalum(v) fluorides: synthesis, properties, structures and comparisons with the corresponding chlorides.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9557","9566","10.1039/c4dt01029a","","","0.71073","MoKα","","0.0458","0.0331","","","0.0747","0.0795","","","","","","0.958","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030787","15.733","0.002","14.914","0.002","32.08","0.005","90","","90","","90","","7527.3","1.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22.5 H36 Cl9 N Nb2 O P4 -","- C22.5 H36 Cl9 N Nb2 O P4 -","- C180 H288 Cl72 N8 Nb16 O8 P32 -","8","1","","Levason, William; Light, Mark E.; Reid, Gillian; Zhang, Wenjian","Soft diphosphine and diarsine complexes of niobium(v) and tantalum(v) fluorides: synthesis, properties, structures and comparisons with the corresponding chlorides.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9557","9566","10.1039/c4dt01029a","","","0.71073","MoKα","","0.1042","0.0745","","","0.1024","0.1111","","","","","","1.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030788","9.096","0.005","10.987","0.006","18.064","0.011","90","","90.158","0.015","90","","1805.3","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H48 Cl6 Nb2 O2 P6 -","- C18 H48 Cl6 Nb2 O2 P6 -","- C36 H96 Cl12 Nb4 O4 P12 -","2","0.5","","Levason, William; Light, Mark E.; Reid, Gillian; Zhang, Wenjian","Soft diphosphine and diarsine complexes of niobium(v) and tantalum(v) fluorides: synthesis, properties, structures and comparisons with the corresponding chlorides.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9557","9566","10.1039/c4dt01029a","","","0.71073","MoKα","","0.0699","0.0577","","","0.1332","0.1442","","","","","","1.053","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030789","11.845","0.008","33.518","0.019","8.596","0.006","90","","92.35","0.03","90","","3410","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 Cl6 N Nb2 O2 P4 -","- C22 H35 Cl6 N Nb2 O2 P4 -","- C88 H140 Cl24 N4 Nb8 O8 P16 -","4","1","","Levason, William; Light, Mark E.; Reid, Gillian; Zhang, Wenjian","Soft diphosphine and diarsine complexes of niobium(v) and tantalum(v) fluorides: synthesis, properties, structures and comparisons with the corresponding chlorides.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9557","9566","10.1039/c4dt01029a","","","0.71073","MoKα","","0.2117","0.103","","","0.2254","0.2966","","","","","","1.024","","","","has coordinates,has disorder","180013","2020-10-21","18:00:00",""
"7030790","12.989","0.004","21.329","0.006","22.051","0.006","90","","90","","90","","6109","3","100","2","100","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C20 H32 As4 F10 Nb2 -","- C20 H32 As4 F10 Nb2 -","- C160 H256 As32 F80 Nb16 -","8","","","Levason, William; Light, Mark E.; Reid, Gillian; Zhang, Wenjian","Soft diphosphine and diarsine complexes of niobium(v) and tantalum(v) fluorides: synthesis, properties, structures and comparisons with the corresponding chlorides.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9557","9566","10.1039/c4dt01029a","","","0.71073","MoKα","","0.0564","0.0516","","","0.1595","0.1708","","","","","","1.337","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030791","12.246","0.004","12.325","0.004","12.458","0.004","114.1","0.003","111.026","0.002","101.266","0.002","1467.5","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 F10 Nb2 P4 -","- C20 H32 F10 Nb2 P4 -","- C40 H64 F20 Nb4 P8 -","2","1","","Levason, William; Light, Mark E.; Reid, Gillian; Zhang, Wenjian","Soft diphosphine and diarsine complexes of niobium(v) and tantalum(v) fluorides: synthesis, properties, structures and comparisons with the corresponding chlorides.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9557","9566","10.1039/c4dt01029a","","","0.71073","MoKα","","0.0694","0.0639","","","0.1839","0.1862","","","","","","1.148","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030792","12.253","0.002","12.348","0.002","12.481","0.002","114.629","0.002","110.486","0.003","101.38","0.03","1471.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 F10 P4 Ta2 -","- C20 H32 F10 P4 Ta2 -","- C40 H64 F20 P8 Ta4 -","2","1","","Levason, William; Light, Mark E.; Reid, Gillian; Zhang, Wenjian","Soft diphosphine and diarsine complexes of niobium(v) and tantalum(v) fluorides: synthesis, properties, structures and comparisons with the corresponding chlorides.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9557","9566","10.1039/c4dt01029a","","","0.71073","MoKα","","0.0625","0.0577","","","0.184","0.1857","","","","","","1.286","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030793","11.8454","0.0008","18.642","0.0013","16.1698","0.0014","90","","103.264","0.003","90","","3475.4","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H48 N4 Ni Si -","- C36 H48 N4 Ni Si -","- C144 H192 N16 Ni4 Si4 -","4","1","","Schmidt, David; Zell, Thomas; Schaub, Thomas; Radius, Udo","Si-H bond activation at {(NHC)2Ni(0)} leading to hydrido silyl and bis(silyl) complexes: a versatile tool for catalytic Si-H/D exchange, acceptorless dehydrogenative coupling of hydrosilanes, and hydrogenation of disilanes to hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10816","10827","10.1039/c4dt01250j","","","0.71073","MoKα","","0.0377","0.0313","","","0.0622","0.0644","","","","","","0.996","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030794","10.48","0.005","16.614","0.007","12.53","0.006","90","","106.519","0.007","90","","2091.6","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 N4 Ni2 Si2 -","- C42 H54 N4 Ni2 Si2 -","- C84 H108 N8 Ni4 Si4 -","2","0.5","","Schmidt, David; Zell, Thomas; Schaub, Thomas; Radius, Udo","Si-H bond activation at {(NHC)2Ni(0)} leading to hydrido silyl and bis(silyl) complexes: a versatile tool for catalytic Si-H/D exchange, acceptorless dehydrogenative coupling of hydrosilanes, and hydrogenation of disilanes to hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10816","10827","10.1039/c4dt01250j","","","0.71073","MoKα","","0.045","0.031","","","0.0758","0.0832","","","","","","1.038","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030795","41.417","0.008","11.756","0.002","16.723","0.003","90","","104.22","0.03","90","","7893","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C79 H120 N8 Ni2 Si2 -","- C79 H120 N8 Ni2 Si2 -","- C316 H480 N32 Ni8 Si8 -","4","0.5","","Schmidt, David; Zell, Thomas; Schaub, Thomas; Radius, Udo","Si-H bond activation at {(NHC)2Ni(0)} leading to hydrido silyl and bis(silyl) complexes: a versatile tool for catalytic Si-H/D exchange, acceptorless dehydrogenative coupling of hydrosilanes, and hydrogenation of disilanes to hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10816","10827","10.1039/c4dt01250j","","","0.71073","MoKα","","0.0463","0.0373","","","0.093","0.1019","","","","","","1.056","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030796","32.548","0.007","9.6502","0.0019","18.368","0.004","90","","99.54","0.03","90","","5690","2","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H46 N4 Ni Si2 -","- C22 H46 N4 Ni Si2 -","- C176 H368 N32 Ni8 Si16 -","8","1","","Schmidt, David; Zell, Thomas; Schaub, Thomas; Radius, Udo","Si-H bond activation at {(NHC)2Ni(0)} leading to hydrido silyl and bis(silyl) complexes: a versatile tool for catalytic Si-H/D exchange, acceptorless dehydrogenative coupling of hydrosilanes, and hydrogenation of disilanes to hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10816","10827","10.1039/c4dt01250j","","","0.71073","MoKα","","0.0563","0.0371","","","0.0872","0.0952","","","","","","1","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030797","36.437","0.003","9.9652","0.0008","18.8125","0.0014","90","","111.354","0.002","90","","6361.9","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H54 N4 Ni Si2 -","- C26 H54 N4 Ni Si2 -","- C208 H432 N32 Ni8 Si16 -","8","1","","Schmidt, David; Zell, Thomas; Schaub, Thomas; Radius, Udo","Si-H bond activation at {(NHC)2Ni(0)} leading to hydrido silyl and bis(silyl) complexes: a versatile tool for catalytic Si-H/D exchange, acceptorless dehydrogenative coupling of hydrosilanes, and hydrogenation of disilanes to hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10816","10827","10.1039/c4dt01250j","","","0.71073","MoKα","","0.0283","0.025","","","0.0652","0.0672","","","","","","1.052","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030798","15.655","0.004","11.439","0.003","19.648","0.005","90","","106.741","0.009","90","","3369.4","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H58 N4 Ni Si2 -","- C30 H58 N4 Ni Si2 -","- C120 H232 N16 Ni4 Si8 -","4","0.5","","Schmidt, David; Zell, Thomas; Schaub, Thomas; Radius, Udo","Si-H bond activation at {(NHC)2Ni(0)} leading to hydrido silyl and bis(silyl) complexes: a versatile tool for catalytic Si-H/D exchange, acceptorless dehydrogenative coupling of hydrosilanes, and hydrogenation of disilanes to hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10816","10827","10.1039/c4dt01250j","","","0.71073","MoKα","","0.0384","0.03","","","0.0658","0.0691","","","","","","1.026","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030799","10.576","0.002","12.144","0.002","14.883","0.003","90","","102.49","0.03","90","","1866.3","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H62 N4 Ni O6 Si2 -","- C30 H62 N4 Ni O6 Si2 -","- C60 H124 N8 Ni2 O12 Si4 -","2","0.5","","Schmidt, David; Zell, Thomas; Schaub, Thomas; Radius, Udo","Si-H bond activation at {(NHC)2Ni(0)} leading to hydrido silyl and bis(silyl) complexes: a versatile tool for catalytic Si-H/D exchange, acceptorless dehydrogenative coupling of hydrosilanes, and hydrogenation of disilanes to hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10816","10827","10.1039/c4dt01250j","","","0.71073","MoKα","","0.0574","0.0426","","","0.1159","0.1363","","","","","","1.149","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7030800","9.947","0.0012","10.5252","0.0013","16.903","0.002","102.664","0.002","98.563","0.001","110.928","0.002","1561.8","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H32 Si3 -","- C36 H32 Si3 -","- C72 H64 Si6 -","2","1","","Schmidt, David; Zell, Thomas; Schaub, Thomas; Radius, Udo","Si-H bond activation at {(NHC)2Ni(0)} leading to hydrido silyl and bis(silyl) complexes: a versatile tool for catalytic Si-H/D exchange, acceptorless dehydrogenative coupling of hydrosilanes, and hydrogenation of disilanes to hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10816","10827","10.1039/c4dt01250j","","","0.71073","MoKα","","0.0465","0.043","","","0.1175","0.1211","","","","","","1.029","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030801","5.1368","0.0012","8.89","0.002","9.809","0.003","90","","99.93","0.02","90","","441.2","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cr0.5 Li2 O3 Sb0.5 -","- Cr0.49 Li2.01 O3 Sb0.5 -","- Cr3.92 Li16.08 O24 Sb4 -","8","1","","Bhardwaj, Neha; Gupta, Akanksha; Uma, S.","Evidence of cationic mixing and ordering in the honeycomb layer of Li4MSbO6 (M(iii) = Cr, Mn, Al, Ga) (S.G. C2/c) oxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12050","12057","10.1039/c4dt00887a","","","0.71073","MoKα","","0.0516","0.0456","","","","0.1139","","","","","","1.255","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030802","5.12864","0.00008","8.8864","0.00019","9.83017","0.00021","90","","100.008","0.0011","90","","441.194","0.015","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cr0.5 Li2 O3 Sb0.5 -","- Cr0.5 Li2.01 O3 Sb0.49 -","- Cr4 Li16.08 O24 Sb3.92 -","8","1","","Bhardwaj, Neha; Gupta, Akanksha; Uma, S.","Evidence of cationic mixing and ordering in the honeycomb layer of Li4MSbO6 (M(iii) = Cr, Mn, Al, Ga) (S.G. C2/c) oxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12050","12057","10.1039/c4dt00887a","powder diffraction","","","","","","","","","","","","","2.84","","","","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030803","5.09652","0.00006","8.827","0.0002","9.85425","0.00017","90","","99.9119","0.0007","90","","436.696","0.013","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Li1.995 Mn0.54 O3 Sb0.465 -","- Li2.00198 Mn0.54006 O3 Sb0.457955 -","- Li16.0158 Mn4.32048 O24 Sb3.66364 -","8","1","","Bhardwaj, Neha; Gupta, Akanksha; Uma, S.","Evidence of cationic mixing and ordering in the honeycomb layer of Li4MSbO6 (M(iii) = Cr, Mn, Al, Ga) (S.G. C2/c) oxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12050","12057","10.1039/c4dt00887a","powder diffraction","","","","","","","","","","","","","4.22","","","","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030804","5.13076","0.00007","8.87948","0.00011","9.86075","0.00013","90","","100.023","0.0018","90","","442.384","0.01","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ga0.495 Li2.01 O3 Sb0.495 -","- Ga0.50006 Li2.00376 O3 Sb0.496185 -","- Ga4.00048 Li16.0301 O24 Sb3.96948 -","8","1","","Bhardwaj, Neha; Gupta, Akanksha; Uma, S.","Evidence of cationic mixing and ordering in the honeycomb layer of Li4MSbO6 (M(iii) = Cr, Mn, Al, Ga) (S.G. C2/c) oxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12050","12057","10.1039/c4dt00887a","powder diffraction","","","","","","","","","","","","","2.92","","","","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030805","7.383","0.001","18.412","0.002","13.791","0.002","90","","90","","90","","1874.7","0.4","298","","298","2","","","","","","","","2","C m c 21","C 2c -2","36","RUB-37","","","- O72 Si36 -","- O72 Si36 -","- O72 Si36 -","1","0.125","","Marler, B.; Wang, Y.; Song, J.; Gies, H.","Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10396","10416","10.1039/c4dt00262h","powder diffraction","","1.5406","CuKα1","","","","","","","","","6.5498","1.27","","","","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030806","22.239","0.002","14.025","0.002","7.391","0.001","90","","90","","90","","2305.3","0.5","298","","298","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","RUB-36","","","- C24 H68 N4 O76 Si36 -","- C34.6666 N4 O76 Si36 -","- C34.6666 N4 O76 Si36 -","1","0.25","","Marler, B.; Wang, Y.; Song, J.; Gies, H.","Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10396","10416","10.1039/c4dt00262h","powder diffraction","","1.13141","synchrotron","","","","","","","","","6.4717","1.67","","","","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030807","10.764","0.002","14.001","0.002","7.407","0.001","90","","99.3381","","90","","1101.5","0.3","298","","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","RUB-48","","","- C7.2 H25.2 N1.8 O38.8 Si16 -","- C10.864 O39.028 P1.81 Si18 -","- C10.864 O39.028 P1.81 Si18 -","1","0.25","","Marler, B.; Wang, Y.; Song, J.; Gies, H.","Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10396","10416","10.1039/c4dt00262h","powder diffraction","","1.5406","CuKα1","","","","","","","","","5.1114","1.39","","","","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030808","22.281","0.002","14","0.002","7.383","0.001","90","","90","","90","","2303","0.5","298","","298","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","RUB-48","","","- C24 H68 N4 O76 Si36 -","- C33.184 N3.892 O76 Si36 -","- C33.184 N3.892 O76 Si36 -","1","0.25","","Marler, B.; Wang, Y.; Song, J.; Gies, H.","Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10396","10416","10.1039/c4dt00262h","powder diffraction","","1.5406","CuKα1","","","","","","","","","4.721","1.86","","","","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030809","7.369","0.001","22.559","0.003","13.993","0.002","90","","90","","90","","2326.2","0.6","298","","298","2","","","","","","","","5","C m c m","-C 2c 2","63","RUB-48","","","- C28 H76 N4 O76 Si36 -","- C31.936 N4 O76 Si36 -","- C31.936 N4 O76 Si36 -","1","0.0625","","Marler, B.; Wang, Y.; Song, J.; Gies, H.","Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10396","10416","10.1039/c4dt00262h","powder diffraction","","1.5406","CuKα1","","","","","","","","","5.4923","1.13","","","","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030810","15.998","0.003","16.226","0.004","10.5737","0.0018","90","","105.258","0.006","90","","2648","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorido(hapto^6^-p-cymene){5-oxo-2-((diphenylposhphoramido)methyl)-4H-pyronato}ruthenium(II)]","","- C28 H29 Cl N O6 P Ru -","- C28 H29 Cl N O6 P Ru -","- C112 H116 Cl4 N4 O24 P4 Ru4 -","4","1","","Meier, Samuel M.; Novak, Maria S.; Kandioller, Wolfgang; Jakupec, Michael A.; Roller, Alexander; Keppler, Bernhard K.; Hartinger, Christian G.","Aqueous chemistry and antiproliferative activity of a pyrone-based phosphoramidate Ru(arene) anticancer agent.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9851","9855","10.1039/c4dt00569d","","","0.71073","MoKα","","0.1315","0.0783","","","0.1151","0.1316","","","","","","1.079","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030811","14.0659","0.0003","24.2531","0.0005","28.62","0.0007","90","","90","","90","","9763.5","0.4","113","","113","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H30 Cl2 N2 O2 Pt -","- C23.9679 H25.8204 Cl2 N2 O2 Pt -","- C383.486 H413.126 Cl32 N32 O32 Pt16 -","16","2","","Komiya, Naruyoshi; Okada, Minoru; Fukumoto, Kanako; Iwata, Shotaro; Naota, Takeshi","Solid-state emission enhancement in vaulted trans-bis(salicylaldiminato)platinum(ii) crystals with halogen functionality.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10074","10085","10.1039/c4dt00560k","","","0.71075","MoKα","","","0.0393","","","","0.0993","","","","","","1.046","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030812","10.5711","0.0005","11.6286","0.0006","20.5715","0.0011","87.578","0.0019","87.8354","0.0018","84.4992","0.0018","2513.5","0.2","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 N2 O2 Pt -","- C26 H32 Cl2 N2 O2 Pt -","- C104 H128 Cl8 N8 O8 Pt4 -","4","2","","Komiya, Naruyoshi; Okada, Minoru; Fukumoto, Kanako; Iwata, Shotaro; Naota, Takeshi","Solid-state emission enhancement in vaulted trans-bis(salicylaldiminato)platinum(ii) crystals with halogen functionality.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10074","10085","10.1039/c4dt00560k","","","0.71075","MoKα","","","0.022","","","","0.0554","","","","","","1.089","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030813","18.4617","0.0011","11.4626","0.0006","12.2654","0.0006","90","","99.3833","0.001","90","","2560.9","0.2","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 N2 O2 Pt -","- C26 H32 Cl2 N2 O2 Pt -","- C104 H128 Cl8 N8 O8 Pt4 -","4","1","","Komiya, Naruyoshi; Okada, Minoru; Fukumoto, Kanako; Iwata, Shotaro; Naota, Takeshi","Solid-state emission enhancement in vaulted trans-bis(salicylaldiminato)platinum(ii) crystals with halogen functionality.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10074","10085","10.1039/c4dt00560k","","","0.71075","MoKα","","","0.0437","","","","0.1168","","","","","","1.132","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030814","10.5969","0.0005","10.0106","0.0005","24.0935","0.001","90","","100.154","0.0013","90","","2515.8","0.2","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 N2 O2 Pt -","- C26 H32 Cl2 N2 O2 Pt -","- C104 H128 Cl8 N8 O8 Pt4 -","4","1","","Komiya, Naruyoshi; Okada, Minoru; Fukumoto, Kanako; Iwata, Shotaro; Naota, Takeshi","Solid-state emission enhancement in vaulted trans-bis(salicylaldiminato)platinum(ii) crystals with halogen functionality.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10074","10085","10.1039/c4dt00560k","","","0.71075","MoKα","","","0.0394","","","","0.1062","","","","","","1.067","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030815","23.8726","0.0008","10.2735","0.0004","20.2881","0.0006","90","","98.8496","0.0011","90","","4916.5","0.3","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 F2 N2 O2 Pt -","- C26 H32 F2 N2 O2 Pt -","- C208 H256 F16 N16 O16 Pt8 -","8","1","","Komiya, Naruyoshi; Okada, Minoru; Fukumoto, Kanako; Iwata, Shotaro; Naota, Takeshi","Solid-state emission enhancement in vaulted trans-bis(salicylaldiminato)platinum(ii) crystals with halogen functionality.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10074","10085","10.1039/c4dt00560k","","","0.71075","MoKα","","","0.0267","","","","0.0597","","","","","","1.072","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030816","10.6479","0.0008","11.756","0.0009","20.8759","0.0015","92.207","0.002","93.4814","0.0018","98.67","0.002","2575.5","0.3","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Br2 N2 O2 Pt -","- C26 H32 Br2 N2 O2 Pt -","- C104 H128 Br8 N8 O8 Pt4 -","4","2","","Komiya, Naruyoshi; Okada, Minoru; Fukumoto, Kanako; Iwata, Shotaro; Naota, Takeshi","Solid-state emission enhancement in vaulted trans-bis(salicylaldiminato)platinum(ii) crystals with halogen functionality.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10074","10085","10.1039/c4dt00560k","","","0.71075","MoKα","","","0.0693","","","","0.1805","","","","","","1.089","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030817","19.0605","0.0012","10.8765","0.0007","7.6109","0.0005","90","","90","","90","","1577.83","0.18","113.1","","113","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H14 Cl2 N2 O2 Pt -","- C16 H14 Cl2 N2 O2 Pt -","- C64 H56 Cl8 N8 O8 Pt4 -","4","1","","Komiya, Naruyoshi; Okada, Minoru; Fukumoto, Kanako; Iwata, Shotaro; Naota, Takeshi","Solid-state emission enhancement in vaulted trans-bis(salicylaldiminato)platinum(ii) crystals with halogen functionality.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10074","10085","10.1039/c4dt00560k","","","0.71075","MoKα","","","0.0179","","","","0.0309","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030818","11.9898","0.0009","11.9898","0.0009","21.5449","0.0017","90","","90","","120","","2682.2","0.4","220","2","220","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C28 H35 Li O4.5 Si -","- C27.9996 H34.9992 Li O4.4997 Si -","- C111.998 H139.997 Li4 O17.9988 Si4 -","4","0.333333","","Leich, Valeri; Lamberts, Kevin; Spaniol, Thomas P.; Okuda, Jun","Crown ether adducts of light alkali metal triphenylsilyls: synthesis, structure and hydrosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14315","14321","10.1039/c4dt00916a","","","0.71073","MoKα","","0.1287","0.0961","","","0.2733","0.3126","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030819","12.858","0.005","12.858","0.005","10.756","0.005","90","","90","","120","","1540","1.1","220","2","220","2","","","","","","","","5","P -3","-P 3","147","","","","- C30 H39 Na O5.5 Si -","- C29.9994 H38.9988 Na O5.4996 Si -","- C59.9988 H77.9976 Na2 O10.9992 Si2 -","2","0.333333","","Leich, Valeri; Lamberts, Kevin; Spaniol, Thomas P.; Okuda, Jun","Crown ether adducts of light alkali metal triphenylsilyls: synthesis, structure and hydrosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14315","14321","10.1039/c4dt00916a","","","0.71073","MoKα","","0.1661","0.1155","","","0.19","0.2141","","","","","","1.005","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030820","19.801","0.006","14.731","0.004","12.752","0.004","90","","112.535","0.005","90","","3435.6","1.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H47 K O7 Si -","- C34 H47 K O7 Si -","- C136 H188 K4 O28 Si4 -","4","1","","Leich, Valeri; Lamberts, Kevin; Spaniol, Thomas P.; Okuda, Jun","Crown ether adducts of light alkali metal triphenylsilyls: synthesis, structure and hydrosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14315","14321","10.1039/c4dt00916a","","","0.71073","MoKα","","0.0803","0.0715","","","0.1862","0.1944","","","","","","1.08","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030821","5.9605","0.0006","41.573","0.005","12.0127","0.0011","90","","102.063","0.01","90","","2911","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 N7 O9 -","- C30 H33 N7 O9 -","- C120 H132 N28 O36 -","4","1","","Zhou, Jing-Ru; Liu, Da-Peng; He, Yue; Kong, Xiang-Jian; Zhang, Zhi-Ming; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A highly selective colorimetric chemosensor for cobalt(ii) ions based on a tripodal amide ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11579","11586","10.1039/c4dt00776j","","","0.71073","MoKα","","0.1478","0.0651","","","0.1033","0.1367","","","","","","1.007","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030822","13.1062","0.0016","13.1062","0.0016","35.354","0.007","90","","90","","120","","5259.2","1.4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H39 Co N7 O13.5 -","- C30 H30 Co N7 O13.5 -","- C180 H180 Co6 N42 O81 -","6","0.333333","","Zhou, Jing-Ru; Liu, Da-Peng; He, Yue; Kong, Xiang-Jian; Zhang, Zhi-Ming; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A highly selective colorimetric chemosensor for cobalt(ii) ions based on a tripodal amide ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11579","11586","10.1039/c4dt00776j","","","0.71073","MoKα","","0.0766","0.0598","","","0.1439","0.1808","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030823","16.3575","0.0009","17.3926","0.0009","14.9132","0.0008","90","","110.956","0.006","90","","3962.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 Co N7 O17 -","- C33 H48 Co N7 O17 -","- C132 H192 Co4 N28 O68 -","4","1","","Zhou, Jing-Ru; Liu, Da-Peng; He, Yue; Kong, Xiang-Jian; Zhang, Zhi-Ming; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A highly selective colorimetric chemosensor for cobalt(ii) ions based on a tripodal amide ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11579","11586","10.1039/c4dt00776j","","","0.71073","MoKα","","0.089","0.0647","","","0.163","0.1769","","","","","","1.068","","","","has coordinates","198676","2020-10-21","18:00:00",""
"7030824","7.176","0.0008","14.1252","0.0014","17.45","0.0018","108.268","0.009","91.425","0.009","103.228","0.009","1626.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 N8 O13 -","- C30 H36 N8 O13 -","- C60 H72 N16 O26 -","2","1","","Zhou, Jing-Ru; Liu, Da-Peng; He, Yue; Kong, Xiang-Jian; Zhang, Zhi-Ming; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A highly selective colorimetric chemosensor for cobalt(ii) ions based on a tripodal amide ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11579","11586","10.1039/c4dt00776j","","","0.71073","MoKα","","0.1261","0.0627","","","0.1171","0.1547","","","","","","1.004","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030825","7.1623","0.0006","13.8115","0.0015","17.8102","0.0013","107.186","0.009","92.852","0.006","97.661","0.008","1660.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Cl N7 O14 -","- C30 H34 Cl N7 O14 -","- C60 H68 Cl2 N14 O28 -","2","1","","Zhou, Jing-Ru; Liu, Da-Peng; He, Yue; Kong, Xiang-Jian; Zhang, Zhi-Ming; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A highly selective colorimetric chemosensor for cobalt(ii) ions based on a tripodal amide ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11579","11586","10.1039/c4dt00776j","","","0.71073","MoKα","","0.0975","0.0734","","","0.1767","0.1942","","","","","","1.039","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030826","13.609","0.007","17.854","0.003","16.652","0.003","90","","108.76","0.02","90","","3831","2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H49 N6 Si3 Y -","- C35 H49 N6 Si3 Y -","- C140 H196 N24 Si12 Y4 -","4","1","","Márquez-Segovia, Isabel; Lara-Sánchez, Agustín; Otero, Antonio; Fernández-Baeza, Juan; Castro-Osma, José Antonio; Sánchez-Barba, Luis F; Rodríguez, Ana M","Synthesis and structural characterization of amido scorpionate rare earth metals complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9586","9595","10.1039/c4dt00770k","","","0.71073","MoKα","","0.1311","0.0553","","","0.1053","0.1315","","","","","","0.863","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030827","24.434","0.002","9.908","0.0007","31.464","0.001","90","","105.003","0.004","90","","7357.5","0.8","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H53 N6 Si3 Y -","- C27 H49 N6 Si3 Y -","- C216 H392 N48 Si24 Y8 -","8","1","","Márquez-Segovia, Isabel; Lara-Sánchez, Agustín; Otero, Antonio; Fernández-Baeza, Juan; Castro-Osma, José Antonio; Sánchez-Barba, Luis F; Rodríguez, Ana M","Synthesis and structural characterization of amido scorpionate rare earth metals complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9586","9595","10.1039/c4dt00770k","","","0.71073","MoKα","","0.1411","0.0767","","","0.1523","0.1747","","","","","","0.994","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030828","17.107","0.007","17.353","0.003","16.089","0.006","90","","98.231","0.013","90","","4727","3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H65 N6 Nd Si4 -","- C44 H65 N6 Nd Si4 -","- C176 H260 N24 Nd4 Si16 -","4","1","","Márquez-Segovia, Isabel; Lara-Sánchez, Agustín; Otero, Antonio; Fernández-Baeza, Juan; Castro-Osma, José Antonio; Sánchez-Barba, Luis F; Rodríguez, Ana M","Synthesis and structural characterization of amido scorpionate rare earth metals complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9586","9595","10.1039/c4dt00770k","","","0.71073","MoKα","","0.1492","0.0629","","","0.1109","0.1398","","","","","","0.843","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030829","17.2679","0.0008","16.0585","0.0006","10.7907","0.0005","90","","105.264","0.005","90","","2886.7","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","C2/c","","","- C24 H18 Cl2 Fe N10 O12 -","- C24 H18 Cl2 Fe N10 O12 -","- C96 H72 Cl8 Fe4 N40 O48 -","4","0.5","","Abhervé, Alexandre; Clemente-León, Miguel; Coronado, Eugenio; Gómez-García, Carlos J; López-Jordà, Maurici","A spin-crossover complex based on a 2,6-bis(pyrazol-1-yl)pyridine (1-bpp) ligand functionalized with a carboxylate group.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9406","9409","10.1039/c4dt00327f","","","0.71073","MoKα","","0.0825","0.0517","","","0.1004","0.1171","","","","","","1.048","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030830","15.835","0.002","15.794","0.002","6.3968","0.0009","90","","90","","90","","1599.8","0.4","353","2","353","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H12 Cu N6 S2 -","- C12 H12 Cu N6 S2 -","- C48 H48 Cu4 N24 S8 -","4","0.5","","Wang, Bao-Ying; Xu, Wei-Jian; Xue, Wei; Lin, Rui-Biao; Du, Zi-Yi; Zhou, Dong-Dong; Zhang, Wei-Xiong; Chen, Xiao-Ming","Restraining the motion of a ligand for modulating the structural phase transition in two isomorphic polar coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9008","9011","10.1039/c4dt00675e","","","0.71073","MoKα","","0.0308","0.0298","","","0.0748","0.0757","","","","","","1.054","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030831","15.6369","0.0014","15.6322","0.0014","6.3057","0.0006","90","","90","","90","","1541.4","0.2","103","2","103","2","","","","","","","","5","P b n 21","P 2c -2ab","33","","","","- C12 H12 Cu N6 S2 -","- C12 H12 Cu N6 S2 -","- C48 H48 Cu4 N24 S8 -","4","1","","Wang, Bao-Ying; Xu, Wei-Jian; Xue, Wei; Lin, Rui-Biao; Du, Zi-Yi; Zhou, Dong-Dong; Zhang, Wei-Xiong; Chen, Xiao-Ming","Restraining the motion of a ligand for modulating the structural phase transition in two isomorphic polar coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9008","9011","10.1039/c4dt00675e","","","0.71073","MoKα","","0.0246","0.0233","","","0.0595","0.0603","","","","","","1.07","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030832","18.0714","0.0016","15.1311","0.0014","6.5878","0.0006","90","","90","","90","","1801.4","0.3","353","2","353","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C14 H16 Cu N6 S2 -","- C14 H16 Cu N6 S2 -","- C56 H64 Cu4 N24 S8 -","4","0.5","","Wang, Bao-Ying; Xu, Wei-Jian; Xue, Wei; Lin, Rui-Biao; Du, Zi-Yi; Zhou, Dong-Dong; Zhang, Wei-Xiong; Chen, Xiao-Ming","Restraining the motion of a ligand for modulating the structural phase transition in two isomorphic polar coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9008","9011","10.1039/c4dt00675e","","","0.71073","MoKα","","0.0418","0.034","","","0.0724","0.0779","","","","","","1.061","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030833","17.93","0.006","14.618","0.004","6.513","0.003","90","","90","","90","","1707.1","1.1","103","2","103","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C14 H16 Cu N6 S2 -","- C14 H16 Cu N6 S2 -","- C56 H64 Cu4 N24 S8 -","4","0.5","","Wang, Bao-Ying; Xu, Wei-Jian; Xue, Wei; Lin, Rui-Biao; Du, Zi-Yi; Zhou, Dong-Dong; Zhang, Wei-Xiong; Chen, Xiao-Ming","Restraining the motion of a ligand for modulating the structural phase transition in two isomorphic polar coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9008","9011","10.1039/c4dt00675e","","","1.54178","CuKα","","0.0373","0.0366","","","0.091","0.0923","","","","","","1.036","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030834","13.141","0.0004","23.4741","0.0008","19.0068","0.0005","90","","91.216","0.002","90","","5861.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H130 N32 Ni4 O47 Sm4 -","- C78 H84 N32 Ni4 O47 Sm4 -","- C156 H168 N64 Ni8 O94 Sm8 -","2","0.5","","Pasatoiu, Traian D.; Ghirri, Alberto; Madalan, Augustin M.; Affronte, Marco; Andruh, Marius","Octanuclear [Ni(II)4Ln(III)4] complexes. Synthesis, crystal structures and magnetocaloric properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9136","9142","10.1039/c4dt00515e","","","0.71073","MoKα","","0.0768","0.06","","","0.149","0.1589","","","","","","1.068","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030835","13.1507","0.0007","23.5171","0.0014","18.9619","0.001","90","","91.06","","90","","5863.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H129 Gd4 N33 Ni4 O45 -","- C80 H80 Gd4 N33 Ni4 O45 -","- C160 H160 Gd8 N66 Ni8 O90 -","2","0.5","","Pasatoiu, Traian D.; Ghirri, Alberto; Madalan, Augustin M.; Affronte, Marco; Andruh, Marius","Octanuclear [Ni(II)4Ln(III)4] complexes. Synthesis, crystal structures and magnetocaloric properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9136","9142","10.1039/c4dt00515e","","","0.71073","MoKα","","0.1134","0.0521","","","0.0893","0.1023","","","","","","0.85","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030836","26.0618","0.0002","21.4306","0.0002","18.9115","0.0002","90","","93.819","0.001","90","","10539","0.17","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H47 Mg2 N5 O2 -","- C36 H47 Mg2 N5 O2 -","- C432 H564 Mg24 N60 O24 -","12","1.5","","Kong, Wei-Li; Wang, Zhong-Xia","Dinuclear magnesium, zinc and aluminum complexes supported by bis(iminopyrrolide) ligands: synthesis, structures, and catalysis toward the ring-opening polymerization of ε-caprolactone and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9126","9135","10.1039/c4dt00431k","","","1.54184","CuKα","","0.0676","0.0553","","","0.1489","0.1611","","","","","","1.026","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030837","20.637","0.002","11.646","0.001","16.7539","0.00015","90","","119.411","0.002","90","","3507.7","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H47 N5 O2 Zn2 -","- C36 H47 N5 O2 Zn2 -","- C144 H188 N20 O8 Zn8 -","4","0.5","","Kong, Wei-Li; Wang, Zhong-Xia","Dinuclear magnesium, zinc and aluminum complexes supported by bis(iminopyrrolide) ligands: synthesis, structures, and catalysis toward the ring-opening polymerization of ε-caprolactone and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9126","9135","10.1039/c4dt00431k","","","0.71073","MoKα","","0.0563","0.0361","","","0.0915","0.1019","","","","","","0.996","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030838","9.4671","0.0009","16.0827","0.0017","19.672","0.002","90","","90","","90","","2995.2","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 Al2 N5 O2 -","- C30 H37 Al2 N5 O2 -","- C120 H148 Al8 N20 O8 -","4","1","","Kong, Wei-Li; Wang, Zhong-Xia","Dinuclear magnesium, zinc and aluminum complexes supported by bis(iminopyrrolide) ligands: synthesis, structures, and catalysis toward the ring-opening polymerization of ε-caprolactone and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9126","9135","10.1039/c4dt00431k","","","0.71073","MoKα","","0.0802","0.0437","","","0.0759","0.0839","","","","","","1.05","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7030839","5.62751","0.0001","19.4131","0.0004","8.15547","0.00018","90","","105.47","0.0007","90","","858.68","0.03","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 B2 Fe2 O4 -","- C20 H20 B2 Fe2 O4 -","- C40 H40 B4 Fe4 O8 -","2","0.5","","Tahara, Keishiro; Akita, Tetsuhiro; Katao, Shohei; Tokunaga, Ken; Kikuchi, Jun-Ichi","Construction of covalent- and hydrogen-bonded assemblies from 1',1'''-biferrocenediboronic acid as a new organobimetallic building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9579","9585","10.1039/c4dt00988f","","","0.71075","MoKα","","","0.0289","","","","0.0836","","","","","","1.193","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030840","29.2155","0.0006","8.77877","0.00016","27.5805","0.0005","90","","114.589","0.0007","90","","6432.3","0.2","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22.66667 H25.33333 B2 Fe2 O4.66667 -","- C22.6667 H25.3333 B2 Fe2 O4.66667 -","- C272 H304 B24 Fe24 O56 -","12","1.5","","Tahara, Keishiro; Akita, Tetsuhiro; Katao, Shohei; Tokunaga, Ken; Kikuchi, Jun-Ichi","Construction of covalent- and hydrogen-bonded assemblies from 1',1'''-biferrocenediboronic acid as a new organobimetallic building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9579","9585","10.1039/c4dt00988f","","","0.71075","MoKα","","","0.0324","","","","0.088","","","","","","1.134","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7030841","8.4782","0.00015","10.08625","0.00018","25.0146","0.0005","90","","91.4018","0.0007","90","","2138.44","0.07","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H48 B4 Fe4 O8 -","- C50 H48 B4 Fe4 O8 -","- C100 H96 B8 Fe8 O16 -","2","0.5","","Tahara, Keishiro; Akita, Tetsuhiro; Katao, Shohei; Tokunaga, Ken; Kikuchi, Jun-Ichi","Construction of covalent- and hydrogen-bonded assemblies from 1',1'''-biferrocenediboronic acid as a new organobimetallic building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9579","9585","10.1039/c4dt00988f","","","0.71075","MoKα","","","0.0286","","","","0.0765","","","","","","1.142","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030842","10.075","0.003","17.439","0.006","13.495","0.005","90","","105.666","0.004","90","","2283","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 Al N2 -","- C23 H35 Al N2 -","- C92 H140 Al4 N8 -","4","1","","Liu, Junpeng; Ma, Haiyan","Aluminum complexes with bidentate amido ligands: synthesis, structure and performance on ligand-initiated ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9098","9110","10.1039/c4dt00353e","","","0.71073","MoKα","","0.0898","0.0453","","","0.114","0.1287","","","","","","0.902","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030843","7.88","0.003","13.97","0.005","18.482","0.007","90","","90","","90","","2034.6","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Al N2 -","- C22 H31 Al N2 -","- C88 H124 Al4 N8 -","4","1","","Liu, Junpeng; Ma, Haiyan","Aluminum complexes with bidentate amido ligands: synthesis, structure and performance on ligand-initiated ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9098","9110","10.1039/c4dt00353e","","","0.71073","MoKα","","0.0518","0.0389","","","0.0919","0.0972","","","","","","0.936","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030844","8.9301","0.0002","11.0289","0.0003","16.2637","0.0005","76.778","0.002","84.155","0.002","68.586","0.002","1451.39","0.07","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C58 H80 Cl2 Mg2 N4 O2 P2 -","- C58 H80 Cl2 Mg2 N4 O2 P2 -","- C58 H80 Cl2 Mg2 N4 O2 P2 -","1","0.5","","Schwamm, Ryan J.; Day, Benjamin M.; Mansfield, Natalie E.; Knowelden, William; Hitchcock, Peter B.; Coles, Martyn P.","Catalytic bond forming reactions promoted by amidinate, guanidinate and phosphaguanidinate compounds of magnesium.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14302","14314","10.1039/c4dt01097c","","x-ray","0.71073","MoKα","","0.0539","0.0422","","","0.1039","0.1109","","","","","","1.03","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030845","9.6349","0.0014","11.1469","0.0009","16.561","0.0019","88.234","0.003","79.663","0.004","67.527","0.011","1615.5","0.4","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C58 H108 Br2 Mg2 N4 O2 P2 -","- C58 H108 Br2 Mg2 N4 O2 P2 -","- C58 H108 Br2 Mg2 N4 O2 P2 -","1","0.5","","Schwamm, Ryan J.; Day, Benjamin M.; Mansfield, Natalie E.; Knowelden, William; Hitchcock, Peter B.; Coles, Martyn P.","Catalytic bond forming reactions promoted by amidinate, guanidinate and phosphaguanidinate compounds of magnesium.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14302","14314","10.1039/c4dt01097c","","x-ray","0.71073","MoKα","","0.0791","0.0476","","","0.1012","0.1122","","","","","","0.998","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030846","14.3215","0.0009","11.5567","0.0007","15.9545","0.0008","90","","92.786","0.003","90","","2637.5","0.3","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H88 Cl2 Mg2 N4 O2 P2 -","- C46 H88 Cl2 Mg2 N4 O2 P2 -","- C92 H176 Cl4 Mg4 N8 O4 P4 -","2","0.5","","Schwamm, Ryan J.; Day, Benjamin M.; Mansfield, Natalie E.; Knowelden, William; Hitchcock, Peter B.; Coles, Martyn P.","Catalytic bond forming reactions promoted by amidinate, guanidinate and phosphaguanidinate compounds of magnesium.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14302","14314","10.1039/c4dt01097c","","x-ray","0.71073","MoKα","","0.1343","0.0721","","","0.1393","0.1673","","","","","","1.015","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030847","9.5663","0.0002","23.8131","0.0005","18.3412","0.0003","90","","95.552","0.001","90","","4158.58","0.14","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H63 Mg N2 O2 P -","- C44 H63 Mg N2 O2 P -","- C176 H252 Mg4 N8 O8 P4 -","4","1","","Schwamm, Ryan J.; Day, Benjamin M.; Mansfield, Natalie E.; Knowelden, William; Hitchcock, Peter B.; Coles, Martyn P.","Catalytic bond forming reactions promoted by amidinate, guanidinate and phosphaguanidinate compounds of magnesium.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14302","14314","10.1039/c4dt01097c","","x-ray","0.71073","MoKα","","0.087","0.0608","","","0.1447","0.1617","","","","","","1.02","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030848","10.1097","0.0002","10.4287","0.0002","19.5149","0.0004","89.591","0.001","79.403","0.001","72.968","0.001","1931.3","0.07","173","2","173","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C35 H58 Mg N3 O P Si2 -","- C35 H58 Mg N3 O P Si2 -","- C70 H116 Mg2 N6 O2 P2 Si4 -","2","1","","Schwamm, Ryan J.; Day, Benjamin M.; Mansfield, Natalie E.; Knowelden, William; Hitchcock, Peter B.; Coles, Martyn P.","Catalytic bond forming reactions promoted by amidinate, guanidinate and phosphaguanidinate compounds of magnesium.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14302","14314","10.1039/c4dt01097c","","x-ray","0.71073","MoKα","","0.0505","0.0383","","","0.0891","0.0953","","","","","","1.016","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030849","14.2018","0.0003","16.0675","0.0003","18.2651","0.0003","87.827","0.001","80.418","0.001","85.172","0.001","4093.92","0.13","120","2","120","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C35 H70 Mg N3 O P Si2 -","- C35 H70 Mg N3 O P Si2 -","- C140 H280 Mg4 N12 O4 P4 Si8 -","4","2","","Schwamm, Ryan J.; Day, Benjamin M.; Mansfield, Natalie E.; Knowelden, William; Hitchcock, Peter B.; Coles, Martyn P.","Catalytic bond forming reactions promoted by amidinate, guanidinate and phosphaguanidinate compounds of magnesium.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14302","14314","10.1039/c4dt01097c","","","0.71073","MoKα","","0.0906","0.0598","","","0.1425","0.1575","","","","","","1.059","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030850","13.2342","0.0004","18.1902","0.0005","11.2111","0.0003","90","","95.366","0.002","90","","2687.05","0.13","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H90 Mg N4 O4 -","- C56 H90 Mg N4 O4 -","- C112 H180 Mg2 N8 O8 -","2","0.5","","Schwamm, Ryan J.; Day, Benjamin M.; Mansfield, Natalie E.; Knowelden, William; Hitchcock, Peter B.; Coles, Martyn P.","Catalytic bond forming reactions promoted by amidinate, guanidinate and phosphaguanidinate compounds of magnesium.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14302","14314","10.1039/c4dt01097c","","x-ray","0.71073","MoKα","","0.114","0.087","","","0.2316","0.2575","","","","","","0.996","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030851","3.9726","0.0002","10.637","0.0006","24.5982","0.0013","90","","91.158","0.004","90","","1039.22","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N6 O4 -","- C8 H8 N6 O4 -","- C32 H32 N24 O16 -","4","1","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen; Sun, Ya-Qiu","Syntheses, structures and properties of 5-azotetrazolyl salicylic acid and its dilanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9090","9097","10.1039/c4dt00278d","","","0.71073","MoKα","","0.071","0.0561","","","0.1563","0.1663","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030852","27.104","0.01","3.8044","0.0013","27.047","0.009","90","","101.58","0.02","90","","2732.2","1.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 N6 O7 -","- C8 H14 N6 O7 -","- C64 H112 N48 O56 -","8","1","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen; Sun, Ya-Qiu","Syntheses, structures and properties of 5-azotetrazolyl salicylic acid and its dilanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9090","9097","10.1039/c4dt00278d","","","0.71073","MoKα","","0.1192","0.0705","","","0.2087","0.2402","","","","","","1.075","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030853","9.6459","0.0014","11.9523","0.0018","12.875","0.0019","110.424","0.002","94.582","0.002","105.45","0.002","1316","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 Dy2 N24 O26 -","- C32 H46 Dy2 N24 O26 -","- C32 H46 Dy2 N24 O26 -","1","0.5","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen; Sun, Ya-Qiu","Syntheses, structures and properties of 5-azotetrazolyl salicylic acid and its dilanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9090","9097","10.1039/c4dt00278d","","","0.71073","MoKα","","0.0291","0.0236","","","0.0538","0.0568","","","","","","1.092","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030854","9.6491","0.0013","11.968","0.0017","12.9137","0.0018","110.617","0.002","94.603","0.002","105.596","0.002","1318.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 N24 O26 Tb2 -","- C32 H46 N24 O26 Tb2 -","- C32 H46 N24 O26 Tb2 -","1","0.5","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen; Sun, Ya-Qiu","Syntheses, structures and properties of 5-azotetrazolyl salicylic acid and its dilanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9090","9097","10.1039/c4dt00278d","","","0.71073","MoKα","","0.0238","0.0211","","","0.0567","0.0609","","","","","","1.157","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030855","9.7674","0.0001","11.8082","0.0002","12.5681","0.0002","109.491","0.001","94.435","0.001","104.629","0.001","1301.26","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 Gd2 N24 O26 -","- C32 H46 Gd2 N24 O26 -","- C32 H46 Gd2 N24 O26 -","1","0.5","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen; Sun, Ya-Qiu","Syntheses, structures and properties of 5-azotetrazolyl salicylic acid and its dilanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9090","9097","10.1039/c4dt00278d","","","0.71073","MoKα","","0.0367","0.0322","","","0.0721","0.0748","","","","","","1.039","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030856","9.6865","0.0012","11.7997","0.0014","13.1112","0.0016","111.997","0.002","95.839","0.002","104.792","0.002","1310.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 N24 O26 Sm2 -","- C32 H46 N24 O26 Sm2 -","- C32 H46 N24 O26 Sm2 -","1","0.5","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen; Sun, Ya-Qiu","Syntheses, structures and properties of 5-azotetrazolyl salicylic acid and its dilanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9090","9097","10.1039/c4dt00278d","","","0.71073","MoKα","","0.0282","0.0236","","","0.0667","0.0748","","","","","","1.194","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030857","11.8805","0.0002","14.6591","0.0003","16.4889","0.0003","99.984","0.001","95.956","0.001","110.326","0.001","2609.93","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 Eu2 N24 O26 -","- C32 H46 Eu2 N24 O26 -","- C64 H92 Eu4 N48 O52 -","2","1","","Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen; Sun, Ya-Qiu","Syntheses, structures and properties of 5-azotetrazolyl salicylic acid and its dilanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9090","9097","10.1039/c4dt00278d","","","0.71073","MoKα","","0.0292","0.0244","","","0.0594","0.0621","","","","","","1.036","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7030858","22.266","0.005","12.474","0.003","12.843","0.003","90","","90.403","0.002","90","","3567","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Au Co6 N O16 -","- C25 H20 Au Co6 N O16 -","- C100 H80 Au4 Co24 N4 O64 -","4","1","","Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Funaioli, Tiziana; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Homoleptic and heteroleptic Au(i) complexes containing the new [Co5C(CO)12](-) cluster as ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9633","9646","10.1039/c4dt00854e","","","0.71073","MoKα","","0.0503","0.0378","","","0.0977","0.1067","","","","","","1.057","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030859","11.377","0.003","14.015","0.004","16.82","0.005","93.948","0.003","107.052","0.003","105.985","0.003","2432","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H20 Au Co10 N O24 -","- C34 H20 Au Co10 N O24 -","- C68 H40 Au2 Co20 N2 O48 -","2","1","","Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Funaioli, Tiziana; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Homoleptic and heteroleptic Au(i) complexes containing the new [Co5C(CO)12](-) cluster as ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9633","9646","10.1039/c4dt00854e","","","0.71073","MoKα","","0.0904","0.0822","","","0.227","0.2309","","","","","","1.061","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030860","9.6659","0.0013","14.1838","0.0019","18.675","0.003","72.809","0.002","87.44","0.002","88.842","0.002","2443.4","0.6","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H16 Au Co10 N O24 -","- C36 H16 Au Co10 N O24 -","- C72 H32 Au2 Co20 N2 O48 -","2","1","","Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Funaioli, Tiziana; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Homoleptic and heteroleptic Au(i) complexes containing the new [Co5C(CO)12](-) cluster as ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9633","9646","10.1039/c4dt00854e","","","0.71073","MoKα","","0.0426","0.0345","","","0.0927","0.1","","","","","","1.018","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030861","12.887","0.005","23.816","0.01","12.612","0.005","90","","116.501","0.005","90","","3464","2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H15 Au Co5 O12 P -","- C31 H15 Au Co5 O12 P -","- C124 H60 Au4 Co20 O48 P4 -","4","1","","Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Funaioli, Tiziana; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Homoleptic and heteroleptic Au(i) complexes containing the new [Co5C(CO)12](-) cluster as ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9633","9646","10.1039/c4dt00854e","","","0.71073","MoKα","","0.1386","0.1099","","","0.2911","0.3252","","","","","","1.194","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030862","12.664","0.003","14.253","0.004","22.125","0.007","84.412","0.005","73.871","0.004","87.122","0.003","3817","1.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H60 Au3 Co5 O12 P3 -","- C73 H60 Au3 Co5 O12 P3 -","- C146 H120 Au6 Co10 O24 P6 -","2","1","","Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Funaioli, Tiziana; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Homoleptic and heteroleptic Au(i) complexes containing the new [Co5C(CO)12](-) cluster as ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9633","9646","10.1039/c4dt00854e","","","0.71073","MoKα","","0.1298","0.0856","","","0.2329","0.2814","","","","","","1.061","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030863","31.553","0.003","31.553","0.003","25.58","0.005","90","","90","","120","","22055","5","194","2","194","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C36 H32 F12 N6 O2 P2 Ru -","- C36 H32 F12 N6 O2 P2 Ru -","- C648 H576 F216 N108 O36 P36 Ru18 -","18","0.5","","Li, Mei-Jin; Lin, Zhihong; Chen, Xiudan; Chen, Guonan","Colorimetric and luminescent bifunctional Ru(ii) complexes for rapid and highly sensitive recognition of cyanide.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11745","11751","10.1039/c4dt00231h","","","0.8","","","0.0936","0.0775","","","0.2472","0.2637","","","","","","1.103","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030864","10.50568","0.00014","10.9861","0.00015","30.33966","0.00042","90","","90","","90","","3501.7","0.08","294","","294","2","","","1000","","","","","5","P c a b","-P 2bc 2ac","61","Bistetramethylammonium hydrogencyclo-triphosphate","Bistetramethylammonium hydrogencyclo-triphosphate","","- C8 H25 N2 O9 P3 -","- C8 H25 N2 O9 P3 -","- C64 H200 N16 O72 P24 -","8","1","","Mangstl, Martin; Celinski, Vinicius R.; Johansson, Sebastian; Weber, Johannes; An, Feng; Schmedt Auf der Günne, Jörn","Low temperature synthesis of ionic phosphates in dimethyl sulfoxide.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10033","10039","10.1039/c4dt00544a","powder diffraction","x-ray","1.5406","CuKα1","","","0.03296","","","","0.04483","","0.995","1.194","","","","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030865","12.9468","0.0017","18.388","0.002","25.369","0.003","90","","97.239","0.002","90","","5991.4","1.2","295","2","295","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C91 H73.4 Cl14.6 Fe2 N14 O24.4 Pr4 Sb12 -","- C91 H71 Cl14.6 Fe2 N14 O24.4 Pr4 Sb12 -","- C182 H142 Cl29.2 Fe4 N28 O48.8 Pr8 Sb24 -","2","1","","Zou, Guo-Dong; Wang, Ze-Ping; Song, Ying; Hu, Bing; Huang, Xiao-Ying","Syntheses, structures and photocatalytic properties of five new praseodymium-antimony oxochlorides: from discrete clusters to 3D inorganic-organic hybrid racemic compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10064","10073","10.1039/c4dt00771a","","","0.71073","MoKα","","0.039","0.0351","","","0.057","0.0583","","","","","","1.005","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030866","19.971","0.0003","22.2647","0.0003","59.856","0.001","90","","94.997","0.002","90","","26513.7","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C198 H219 Cl27 Fe4 N26 O95 Pr8 Sb24 -","- C198 H134 Cl27 Fe4 N26 O59.645 Pr8 Sb24 -","- C792 H536 Cl108 Fe16 N104 O238.58 Pr32 Sb96 -","4","1","","Zou, Guo-Dong; Wang, Ze-Ping; Song, Ying; Hu, Bing; Huang, Xiao-Ying","Syntheses, structures and photocatalytic properties of five new praseodymium-antimony oxochlorides: from discrete clusters to 3D inorganic-organic hybrid racemic compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10064","10073","10.1039/c4dt00771a","","","1.54178","CuKα","","0.1036","0.0858","","","0.2053","0.2174","","","","","","1.093","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030867","12.8307","0.0003","27.0624","0.0009","32.2935","0.0007","90","","95.917","0.002","90","","11153.5","0.5","295","2","295","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C81 H75 Cl13 Fe N10 O31 Pr4 Sb12 -","- C81 H69 Cl13 Fe N10 O31 Pr4 Sb12 -","- C324 H276 Cl52 Fe4 N40 O124 Pr16 Sb48 -","4","1","","Zou, Guo-Dong; Wang, Ze-Ping; Song, Ying; Hu, Bing; Huang, Xiao-Ying","Syntheses, structures and photocatalytic properties of five new praseodymium-antimony oxochlorides: from discrete clusters to 3D inorganic-organic hybrid racemic compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10064","10073","10.1039/c4dt00771a","","","0.71073","MoKα","","0.0536","0.038","","","0.0831","0.0916","","","","","","0.994","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030868","17.7472","0.0003","19.1035","0.0003","24.619","0.0004","95.473","0.001","91.112","0.001","110.914","0.002","7748.4","0.2","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C132 H121 Cl10 Fe2 N15 O49 Pr4 Sb12 -","- C132 H93 Cl10 Fe2 N15 O38.5 Pr4 Sb12 -","- C264 H186 Cl20 Fe4 N30 O77 Pr8 Sb24 -","2","1","","Zou, Guo-Dong; Wang, Ze-Ping; Song, Ying; Hu, Bing; Huang, Xiao-Ying","Syntheses, structures and photocatalytic properties of five new praseodymium-antimony oxochlorides: from discrete clusters to 3D inorganic-organic hybrid racemic compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10064","10073","10.1039/c4dt00771a","","","0.71073","MoKα","","0.0574","0.0393","","","0.0894","0.0994","","","","","","1.041","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030869","59.122","0.0007","59.122","0.0007","39.2567","0.0003","90","","90","","90","","137218","3","100","2","100","2","","","","","","","","8","I 41/a","-I 4ad","88","","","","- C456 H538 Cl53 Fe10 N90 O256 Pr20 Sb60 -","- C456 H310 Cl53 Fe10 N90 O146 Pr20 Sb60 -","- C3648 H2480 Cl424 Fe80 N720 O1168 Pr160 Sb480 -","8","","","Zou, Guo-Dong; Wang, Ze-Ping; Song, Ying; Hu, Bing; Huang, Xiao-Ying","Syntheses, structures and photocatalytic properties of five new praseodymium-antimony oxochlorides: from discrete clusters to 3D inorganic-organic hybrid racemic compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10064","10073","10.1039/c4dt00771a","","","1.54178","CuKα","","0.1942","0.1379","","","0.2414","0.2598","","","","","","1.246","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030870","7.6148","0.001","12.5489","0.0018","15.8363","0.0018","87.621","0.01","82.199","0.01","77.59","0.012","1464.1","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 N4 O7 Ru -","- C26 H32 Cl2 N4 O7 Ru -","- C52 H64 Cl4 N8 O14 Ru2 -","2","1","","Wu, Qiong; Chen, Tianfeng; Zhang, Zhao; Liao, Siyan; Wu, Xiaohui; Wu, Jian; Mei, Wenjie; Chen, Yanhua; Wu, Weili; Zeng, Lingli; Zheng, Wenjie","Microwave-assisted synthesis of arene ruthenium(ii) complexes [(η(6)-RC6H5)Ru(m-MOPIP)Cl]Cl (R = -H and -CH3) as groove binder to c-myc G4 DNA.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9216","9225","10.1039/c3dt53635a","","","1.54184","CuKα","","0.0579","0.05","","","0.1282","0.1374","","","","","","1.044","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030871","12.0937","0.001","7.7505","0.0004","30.5757","0.0013","90","","93.219","0.006","90","","2861.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Cl2 N4 O5 Ru -","- C27 H30 Cl2 N4 O5 Ru -","- C108 H120 Cl8 N16 O20 Ru4 -","4","1","","Wu, Qiong; Chen, Tianfeng; Zhang, Zhao; Liao, Siyan; Wu, Xiaohui; Wu, Jian; Mei, Wenjie; Chen, Yanhua; Wu, Weili; Zeng, Lingli; Zheng, Wenjie","Microwave-assisted synthesis of arene ruthenium(ii) complexes [(η(6)-RC6H5)Ru(m-MOPIP)Cl]Cl (R = -H and -CH3) as groove binder to c-myc G4 DNA.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9216","9225","10.1039/c3dt53635a","","","0.71073","MoKα","","0.0987","0.0695","","","0.1736","0.1977","","","","","","1.175","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030872","10.7426","0.0002","13.427","0.0002","14.1483","0.0003","71.1379","0.0006","78.6566","0.0006","85.7839","0.0006","1893.34","0.06","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 As N4 O16 Y -","- C36 H28 As N4 O16 Y -","- C72 H56 As2 N8 O32 Y2 -","2","1","","Bortoluzzi, Marco; Bianchin, Elena; Roppa, Stefania; Bertolasi, Valerio; Enrichi, Francesco","Yttrium and lanthanide complexes of β-dialdehydes: synthesis, characterization and luminescence of coordination compounds with the conjugate base of nitromalonaldehyde.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10120","10131","10.1039/c4dt00643g","","","0.71073","MoKα","","0.0647","0.041","","","0.0957","0.1037","","","","","","1.031","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030873","8.2417","0.0016","10.946","0.002","11.113","0.002","90","","93.86","0.03","90","","1000.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Ba N4 O4 -","- C10 H4 Ba N4 O4 -","- C40 H16 Ba4 N16 O16 -","4","1","","Wang, Yan-Ning; Yang, Qing-Feng; Li, Guang-Hua; Zhang, Ping; Yu, Jie-Hui; Xu, Ji-Qing","Construction of acylhydrazidate-extended metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11646","11657","10.1039/c4dt00780h","","","0.71073","MoKα","","0.0226","0.0204","","","0.0591","0.0602","","","","","","1.119","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030874","19.372","0.003","23.436","0.003","4.7214","0.0005","90","","94.727","0.011","90","","2136.2","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H13 Ba N4 O8.5 S -","- C16 H13 Ba N4 O8.5 S -","- C64 H52 Ba4 N16 O34 S4 -","4","0.5","","Wang, Yan-Ning; Yang, Qing-Feng; Li, Guang-Hua; Zhang, Ping; Yu, Jie-Hui; Xu, Ji-Qing","Construction of acylhydrazidate-extended metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11646","11657","10.1039/c4dt00780h","","","0.71073","MoKα","","0.0742","0.06","","","0.1877","0.201","","","","","","1.093","","","","has coordinates","189181","2020-10-21","18:00:00",""
"7030875","6.9812","0.0004","14.8221","0.0009","19.046","0.0017","90","","90","","90","","1970.8","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H12 Ba2 N4 O10 -","- C18 H12 Ba2 N4 O10 -","- C72 H48 Ba8 N16 O40 -","4","1","","Wang, Yan-Ning; Yang, Qing-Feng; Li, Guang-Hua; Zhang, Ping; Yu, Jie-Hui; Xu, Ji-Qing","Construction of acylhydrazidate-extended metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11646","11657","10.1039/c4dt00780h","","","0.71073","MoKα","","0.0308","0.0307","","","0.0862","0.0863","","","","","","1.055","","","","has coordinates","189181","2020-10-21","18:00:00",""
"7030876","17.6446","0.0009","17.6446","0.0009","22.742","0.003","90","","90","","90","","7080.3","1.1","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H10 N6 O9 Zn2 -","- C16 H10 N6 O9 Zn2 -","- C256 H160 N96 O144 Zn32 -","16","1","","Wang, Yan-Ning; Yang, Qing-Feng; Li, Guang-Hua; Zhang, Ping; Yu, Jie-Hui; Xu, Ji-Qing","Construction of acylhydrazidate-extended metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11646","11657","10.1039/c4dt00780h","","","0.71073","MoKα","","0.0503","0.0418","","","0.1082","0.118","","","","","","1.119","","","","has coordinates","189181","2020-10-21","18:00:00",""
"7030877","17.041","0.005","9.384","0.003","14.979","0.005","90","","120.935","0.003","90","","2054.6","1.1","123","","123","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C26 H22 N4 -","- C26 H22 N4 -","- C104 H88 N16 -","4","1","","Mikata, Yuji; Kawata, Keiko; Takeuchi, Saaya; Nakanishi, Kaori; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi; Burdette, Shawn C.","Isoquinoline-derivatized tris(2-pyridylmethyl)amines as fluorescent zinc sensors with strict Zn(2+)/Cd(2+) selectivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10751","10759","10.1039/c4dt01054j","","","0.7107","MoKα","","","0.0376","","","","0.0911","","","","","","1.101","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030878","12.2596","0.0007","14.2429","0.0007","13.3588","0.0008","90","","106.979","0.003","90","","2230.9","0.2","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N4 O -","- C27 H26 N4 O -","- C108 H104 N16 O4 -","4","1","","Mikata, Yuji; Kawata, Keiko; Takeuchi, Saaya; Nakanishi, Kaori; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi; Burdette, Shawn C.","Isoquinoline-derivatized tris(2-pyridylmethyl)amines as fluorescent zinc sensors with strict Zn(2+)/Cd(2+) selectivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10751","10759","10.1039/c4dt01054j","","","0.7107","MoKα","","","0.0519","","","","0.1273","","","","","","1.156","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030879","9.5027","0.0018","14.03","0.003","19.032","0.004","79.58","0.007","78.974","0.007","70.828","0.007","2333.3","0.8","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N4 O2 -","- C28 H26 N4 O2 -","- C112 H104 N16 O8 -","4","2","","Mikata, Yuji; Kawata, Keiko; Takeuchi, Saaya; Nakanishi, Kaori; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi; Burdette, Shawn C.","Isoquinoline-derivatized tris(2-pyridylmethyl)amines as fluorescent zinc sensors with strict Zn(2+)/Cd(2+) selectivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10751","10759","10.1039/c4dt01054j","","","0.7107","MoKα","","","0.0729","","","","0.193","","","","","","1.128","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030880","14.179","0.003","10.6647","0.0013","19.497","0.003","90","","100.022","0.008","90","","2903.2","0.8","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl2 N5 O8 Zn -","- C28 H25 Cl2 N5 O8 Zn -","- C112 H100 Cl8 N20 O32 Zn4 -","4","1","","Mikata, Yuji; Kawata, Keiko; Takeuchi, Saaya; Nakanishi, Kaori; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi; Burdette, Shawn C.","Isoquinoline-derivatized tris(2-pyridylmethyl)amines as fluorescent zinc sensors with strict Zn(2+)/Cd(2+) selectivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10751","10759","10.1039/c4dt01054j","","","0.7107","MoKα","","","0.0685","","","","0.18","","","","","","1.091","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030881","14.462","0.0006","11.0031","0.0003","18.4736","0.0009","90","","107.574","0.0017","90","","2802.4","0.2","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cd Cl2 N4 O9 -","- C27 H25 Cd Cl2 N4 O9 -","- C108 H100 Cd4 Cl8 N16 O36 -","4","1","","Mikata, Yuji; Kawata, Keiko; Takeuchi, Saaya; Nakanishi, Kaori; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi; Burdette, Shawn C.","Isoquinoline-derivatized tris(2-pyridylmethyl)amines as fluorescent zinc sensors with strict Zn(2+)/Cd(2+) selectivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10751","10759","10.1039/c4dt01054j","","","0.7107","MoKα","","","0.0553","","","","0.1531","","","","","","1.109","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030882","13.8","0.003","13.549","0.003","17.731","0.003","90","","100.782","0.002","90","","3256.7","1.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 Cd Cl2 N4 O11 -","- C31 H27 Cd Cl2 N4 O11 -","- C124 H108 Cd4 Cl8 N16 O44 -","4","1","","Mikata, Yuji; Kawata, Keiko; Takeuchi, Saaya; Nakanishi, Kaori; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi; Burdette, Shawn C.","Isoquinoline-derivatized tris(2-pyridylmethyl)amines as fluorescent zinc sensors with strict Zn(2+)/Cd(2+) selectivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10751","10759","10.1039/c4dt01054j","","","0.7107","MoKα","","","0.0517","","","","0.1337","","","","","","1.138","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030883","18.178","0.003","11.2464","0.0018","17.383","0.003","90","","96.1967","0.001","90","","3533","1","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 N4 O11 Zn -","- C32 H40 Cl2 N4 O11 Zn -","- C128 H160 Cl8 N16 O44 Zn4 -","4","1","","Mikata, Yuji; Kawata, Keiko; Takeuchi, Saaya; Nakanishi, Kaori; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi; Burdette, Shawn C.","Isoquinoline-derivatized tris(2-pyridylmethyl)amines as fluorescent zinc sensors with strict Zn(2+)/Cd(2+) selectivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10751","10759","10.1039/c4dt01054j","","","0.7107","MoKα","","","0.0493","","","","0.1422","","","","","","1.057","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030884","11.7763","0.0009","22.3239","0.0011","19.8033","0.0013","90","","100.369","0.004","90","","5121.1","0.6","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H52 Cd Cl2 N8 O10 -","- C54 H52 Cd Cl2 N8 O10 -","- C216 H208 Cd4 Cl8 N32 O40 -","4","0.5","","Mikata, Yuji; Kawata, Keiko; Takeuchi, Saaya; Nakanishi, Kaori; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi; Burdette, Shawn C.","Isoquinoline-derivatized tris(2-pyridylmethyl)amines as fluorescent zinc sensors with strict Zn(2+)/Cd(2+) selectivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10751","10759","10.1039/c4dt01054j","","","0.7107","MoKα","","0.0423","0.0399","","","0.1057","0.1088","","","","","","1.062","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030885","11.8771","0.0002","16.5181","0.0002","18.7271","0.0004","81.242","0.005","81.562","0.005","74.409","0.005","3475.89","0.14","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Cd Cl2 N6 O8 -","- C34 H30 Cd Cl2 N6 O8 -","- C136 H120 Cd4 Cl8 N24 O32 -","4","2","","Mikata, Yuji; Kawata, Keiko; Takeuchi, Saaya; Nakanishi, Kaori; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi; Burdette, Shawn C.","Isoquinoline-derivatized tris(2-pyridylmethyl)amines as fluorescent zinc sensors with strict Zn(2+)/Cd(2+) selectivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10751","10759","10.1039/c4dt01054j","","","0.7107","MoKα","","","0.0488","","","","0.1367","","","","","","1.064","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030886","21.9573","0.0008","31.7949","0.0007","32.7974","0.0013","90","","108.506","0.004","90","","21712.9","1.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H85 Cl4 N8 Pr -","- C104 H85 Cl4 N8 Pr -","- C832 H680 Cl32 N64 Pr8 -","8","2","","Zhang, Yuehong; Cao, Wei; Wang, Kang; Jiang, Jianzhuang","Constructing bis(porphyrinato) rare earth double-decker complexes involving N-confused porphyrin.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9152","9157","10.1039/c4dt00216d","","","1.54178","CuKα","","0.1232","0.0755","","","0.1627","0.1784","","","","","","0.987","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030887","6.8227","0.0002","15.4441","0.0006","18.3454","0.0007","67.969","0.002","80.954","0.002","89.346","0.002","1767.24","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 Li2 N4 O19 V2 -","- C28 H38 Li2 N4 O19 V2 -","- C56 H76 Li4 N8 O38 V4 -","2","1","","Dash, Subhashree P.; Panda, Alok K.; Pasayat, Sagarika; Dinda, Rupam; Biswas, Ashis; Tiekink, Edward R. T.; Patil, Yogesh P.; Nethaji, M.; Kaminsky, Werner; Mukhopadhyay, Subhadip; Bhutia, Sujit K.","Syntheses and structural investigation of some alkali metal ion-mediated LV(V)O2(-) (L(2-) = tridentate ONO ligands) species: DNA binding, photo-induced DNA cleavage and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10139","10156","10.1039/c4dt00883a","","","0.71069","MoKα","","0.0458","0.0362","","","0.0956","0.1022","","","","","","1.027","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030888","15.43","0.002","7.1128","0.001","30.505","0.004","90","","98.682","0.008","90","","3309.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cs N2 O5 V -","- C15 H14 Cs N2 O5 V -","- C120 H112 Cs8 N16 O40 V8 -","8","2","","Dash, Subhashree P.; Panda, Alok K.; Pasayat, Sagarika; Dinda, Rupam; Biswas, Ashis; Tiekink, Edward R. T.; Patil, Yogesh P.; Nethaji, M.; Kaminsky, Werner; Mukhopadhyay, Subhadip; Bhutia, Sujit K.","Syntheses and structural investigation of some alkali metal ion-mediated LV(V)O2(-) (L(2-) = tridentate ONO ligands) species: DNA binding, photo-induced DNA cleavage and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10139","10156","10.1039/c4dt00883a","","","0.71069","MoKα","","0.0401","0.028","","","0.054","0.0594","","","","","","1.128","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030889","11.688","0.0004","8.2858","0.0002","34.9484","0.0011","90","","90","","90","","3384.56","0.18","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H15 K N3 O6 V -","- C14 H15 K N3 O6 V -","- C112 H120 K8 N24 O48 V8 -","8","1","","Dash, Subhashree P.; Panda, Alok K.; Pasayat, Sagarika; Dinda, Rupam; Biswas, Ashis; Tiekink, Edward R. T.; Patil, Yogesh P.; Nethaji, M.; Kaminsky, Werner; Mukhopadhyay, Subhadip; Bhutia, Sujit K.","Syntheses and structural investigation of some alkali metal ion-mediated LV(V)O2(-) (L(2-) = tridentate ONO ligands) species: DNA binding, photo-induced DNA cleavage and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10139","10156","10.1039/c4dt00883a","","","0.71069","MoKα","","0.0956","0.0464","","","0.0924","0.109","","","","","","1.026","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030890","7.7429","0.0008","10.3131","0.001","12.0373","0.0013","109.59","0.006","104.363","0.005","92.983","0.005","867.59","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H17 N3 Na O8 V -","- C13 H17 N3 Na O8 V -","- C26 H34 N6 Na2 O16 V2 -","2","1","","Dash, Subhashree P.; Panda, Alok K.; Pasayat, Sagarika; Dinda, Rupam; Biswas, Ashis; Tiekink, Edward R. T.; Patil, Yogesh P.; Nethaji, M.; Kaminsky, Werner; Mukhopadhyay, Subhadip; Bhutia, Sujit K.","Syntheses and structural investigation of some alkali metal ion-mediated LV(V)O2(-) (L(2-) = tridentate ONO ligands) species: DNA binding, photo-induced DNA cleavage and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10139","10156","10.1039/c4dt00883a","","","0.71069","MoKα","","0.0585","0.0421","","","0.1023","0.1106","","","","","","1.041","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030891","4.5511","0.0002","22.0862","0.0007","13.2751","0.0004","90","","90","","90","","1334.37","0.08","123","2","123","2","","","","","","","","2","C m c m","-C 2c 2","63","Lithium Germanide","","","- Ge Li4.096 -","- Ge Li4.096 -","- Ge16 Li65.536 -","16","1","","Fässler, Thomas F; Zeilinger, Michael","Structural and Thermodynamic Similarities of Phases in the Li‒Tt (Tt = Si, Ge) Systems: Redetermination of the Lithium-Rich Side of the Li‒Ge Phase Diagram and Crystal Structures of Li17Si4.0−xGex for x = 2.3, 3.1, 3.5, and 4 as well as Li4.1Ge","Dalton Transactions","2014","","","","","10.1039/c4dt00743c","","","0.71073","MoKα","","0.0225","0.0145","","","0.0257","0.027","","","","","","1.042","","","","has coordinates,has disorder","180014","2020-10-21","18:00:00",""
"7030892","18.8521","0.0003","18.8521","0.0003","18.8521","0.0003","90","","90","","90","","6700.07","0.18","298","2","298","2","","","","","","","","2","F -4 3 m","F -4 2 3","216","Lithium Germanide","","","- Ge4 Li17 -","- Ge4 Li17 -","- Ge80 Li340 -","20","0.208333","","Fässler, Thomas F; Zeilinger, Michael","Structural and Thermodynamic Similarities of Phases in the Li‒Tt (Tt = Si, Ge) Systems: Redetermination of the Lithium-Rich Side of the Li‒Ge Phase Diagram and Crystal Structures of Li17Si4.0−xGex for x = 2.3, 3.1, 3.5, and 4 as well as Li4.1Ge","Dalton Transactions","2014","","","","","10.1039/c4dt00743c","","","0.71073","MoKα","","0.022","0.0183","","","0.0368","0.0376","","","","","","1.106","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030893","18.7125","0.0001","18.7125","0.0001","18.7125","0.0001","90","","90","","90","","6552.33","0.06","123","2","123","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","Lithium Tetrelide","","","- Ge2.3 Li17 Si1.7 -","- Ge2.2992 Li17 Si1.7008 -","- Ge45.984 Li340 Si34.016 -","20","0.208333","","Fässler, Thomas F; Zeilinger, Michael","Structural and Thermodynamic Similarities of Phases in the Li‒Tt (Tt = Si, Ge) Systems: Redetermination of the Lithium-Rich Side of the Li‒Ge Phase Diagram and Crystal Structures of Li17Si4.0−xGex for x = 2.3, 3.1, 3.5, and 4 as well as Li4.1Ge","Dalton Transactions","2014","","","","","10.1039/c4dt00743c","","","0.71073","MoKα","","0.0169","0.0155","","","0.0355","0.0357","","","","","","1.26","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030894","18.7721","0.0005","18.7721","0.0005","18.7721","0.0005","90","","90","","90","","6615.1","0.3","123","2","123","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","Lithium Tetrelide","","","- Ge3.527 Li17 Si0.473 -","- Ge3.5268 Li17 Si0.4732 -","- Ge70.536 Li340 Si9.464 -","20","0.208333","","Fässler, Thomas F; Zeilinger, Michael","Structural and Thermodynamic Similarities of Phases in the Li‒Tt (Tt = Si, Ge) Systems: Redetermination of the Lithium-Rich Side of the Li‒Ge Phase Diagram and Crystal Structures of Li17Si4.0−xGex for x = 2.3, 3.1, 3.5, and 4 as well as Li4.1Ge","Dalton Transactions","2014","","","","","10.1039/c4dt00743c","","","0.71073","MoKα","","0.0137","0.0135","","","0.0359","0.0368","","","","","","1.202","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030895","18.7515","0.0002","18.7515","0.0002","18.7515","0.0002","90","","90","","90","","6593.38","0.12","123","2","123","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","Lithium Tetrelide","","","- Ge3.08 Li17 Si0.92 -","- Ge3.08 Li17 Si0.92 -","- Ge61.6 Li340 Si18.4 -","20","0.208333","","Fässler, Thomas F; Zeilinger, Michael","Structural and Thermodynamic Similarities of Phases in the Li‒Tt (Tt = Si, Ge) Systems: Redetermination of the Lithium-Rich Side of the Li‒Ge Phase Diagram and Crystal Structures of Li17Si4.0−xGex for x = 2.3, 3.1, 3.5, and 4 as well as Li4.1Ge","Dalton Transactions","2014","","","","","10.1039/c4dt00743c","","","0.71073","MoKα","","0.0245","0.0217","","","0.047","0.0476","","","","","","1","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030896","7.53","0.0003","7.6723","0.0003","17.7327","0.0006","87.25","0.002","79.371","0.002","66.35","0.002","921.93","0.06","163","2","163","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H14 Br Mn N2 O4 S -","- C17 H14 Br Mn N2 O4 S -","- C34 H28 Br2 Mn2 N4 O8 S2 -","2","1","","Lumsden, Simone E. A.; Durgaprasad, Gummadi; Thomas Muthiah, Keren A.; Rose, Michael J.","Tuning coordination modes of pyridine/thioether Schiff base (NNS) ligands to mononuclear manganese carbonyls.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10725","10738","10.1039/c4dt00600c","","","0.71073","MoKα","","0.0273","0.0232","","","0.0676","0.07","","","","","","1.122","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030897","8.7613","0.0003","10.8921","0.0004","13.0888","0.0005","66.319","0.002","79.79","0.002","69.483","0.002","1070.35","0.07","163","2","163","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H16 Br Cl2 Mn N2 O3 S -","- C18 H16 Br Cl2 Mn N2 O3 S -","- C36 H32 Br2 Cl4 Mn2 N4 O6 S2 -","2","1","","Lumsden, Simone E. A.; Durgaprasad, Gummadi; Thomas Muthiah, Keren A.; Rose, Michael J.","Tuning coordination modes of pyridine/thioether Schiff base (NNS) ligands to mononuclear manganese carbonyls.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10725","10738","10.1039/c4dt00600c","","","0.71073","MoKα","","0.0412","0.035","","","0.0792","0.0842","","","","","","1.031","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030898","11.838","0.003","10.124","0.003","13.654","0.004","90","","102.61","0.007","90","","1596.9","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Br2 Mn N2 S -","- C14 H14 Br2 Mn N2 S -","- C56 H56 Br8 Mn4 N8 S4 -","4","1","","Lumsden, Simone E. A.; Durgaprasad, Gummadi; Thomas Muthiah, Keren A.; Rose, Michael J.","Tuning coordination modes of pyridine/thioether Schiff base (NNS) ligands to mononuclear manganese carbonyls.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10725","10738","10.1039/c4dt00600c","","","0.71073","MoKα","","0.1217","0.0872","","","0.2012","0.2242","","","","","","0.999","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030899","8.7752","0.0019","12.659","0.003","14.644","0.003","90","","92.798","0.005","90","","1624.8","0.6","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br Mn N2 O2 S -","- C16 H14 Br Mn N2 O2 S -","- C64 H56 Br4 Mn4 N8 O8 S4 -","4","1","","Lumsden, Simone E. A.; Durgaprasad, Gummadi; Thomas Muthiah, Keren A.; Rose, Michael J.","Tuning coordination modes of pyridine/thioether Schiff base (NNS) ligands to mononuclear manganese carbonyls.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10725","10738","10.1039/c4dt00600c","","","0.71073","MoKα","","0.0365","0.031","","","0.0735","0.0759","","","","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030900","7.9074","0.0005","21.6449","0.0014","12.5018","0.0006","90","","96.094","0.002","90","","2127.7","0.2","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Br F Mn N2 O3 S -","- C22 H15 Br F Mn N2 O3 S -","- C88 H60 Br4 F4 Mn4 N8 O12 S4 -","4","1","","Lumsden, Simone E. A.; Durgaprasad, Gummadi; Thomas Muthiah, Keren A.; Rose, Michael J.","Tuning coordination modes of pyridine/thioether Schiff base (NNS) ligands to mononuclear manganese carbonyls.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10725","10738","10.1039/c4dt00600c","","","0.71073","MoKα","","0.0411","0.0284","","","0.0661","0.071","","","","","","1.121","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030901","13.942","0.005","11.412","0.005","14.573","0.004","90","","117.66","0.03","90","","2053.7","1.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20.96 H15 Br F Mn N2 O1.96 S -","- C20.96 H15 Br F Mn N2 O1.96 S -","- C83.84 H60 Br4 F4 Mn4 N8 O7.84 S4 -","4","1","","Lumsden, Simone E. A.; Durgaprasad, Gummadi; Thomas Muthiah, Keren A.; Rose, Michael J.","Tuning coordination modes of pyridine/thioether Schiff base (NNS) ligands to mononuclear manganese carbonyls.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10725","10738","10.1039/c4dt00600c","","","0.71073","MoKα","","0.0725","0.0553","","","0.1205","0.128","","","","","","1.11","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7030902","11.1903","0.0007","12.075","0.0008","13.1287","0.0009","90.298","0.002","105.468","0.002","107.231","0.002","1626.15","0.19","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H43 Li N2 O P2 -","- C35 H43 Li N2 O P2 -","- C70 H86 Li2 N4 O2 P4 -","2","1","","Normand, Adrien T.; Massard, Alexandre; Richard, Philippe; Canovas, Coline; Balan, Cédric; Picquet, Michel; Auffrant, Audrey; Le Gendre, Pierre","Titanium imido complexes stabilised by bis(iminophosphoranyl)methanide ligands: the influence of N-substituents on solution dynamics and reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15098","15110","10.1039/c4dt00746h","","x-ray","0.71073","MoKα","","0.0775","0.0505","","","0.1188","0.1397","","","","","","1.04","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030903","10.7879","0.0003","11.0506","0.0003","15.9326","0.0005","90.684","0.002","94.916","0.002","113.273","0.002","1736.23","0.09","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 Li N2 O P2 -","- C37 H47 Li N2 O P2 -","- C74 H94 Li2 N4 O2 P4 -","2","1","","Normand, Adrien T.; Massard, Alexandre; Richard, Philippe; Canovas, Coline; Balan, Cédric; Picquet, Michel; Auffrant, Audrey; Le Gendre, Pierre","Titanium imido complexes stabilised by bis(iminophosphoranyl)methanide ligands: the influence of N-substituents on solution dynamics and reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15098","15110","10.1039/c4dt00746h","","x-ray","0.71073","MoKα","","0.0443","0.0404","","","0.1023","0.1063","","","","","","1.076","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030904","20.8571","0.0005","9.9387","0.0002","17.6389","0.0004","90","","90","","90","","3656.41","0.14","115","","115","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H40 Cl N3 P2 Ti -","- C41 H40 Cl N3 P2 Ti -","- C164 H160 Cl4 N12 P8 Ti4 -","4","1","","Normand, Adrien T.; Massard, Alexandre; Richard, Philippe; Canovas, Coline; Balan, Cédric; Picquet, Michel; Auffrant, Audrey; Le Gendre, Pierre","Titanium imido complexes stabilised by bis(iminophosphoranyl)methanide ligands: the influence of N-substituents on solution dynamics and reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15098","15110","10.1039/c4dt00746h","","x-ray","0.71073","MoKα","","0.0356","0.0317","","","0.0658","0.0686","","","","","","1.059","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030905","10.6873","0.0002","10.9883","0.0003","18.1781","0.0004","86.435","0.001","86.02","0.001","65.267","0.001","1932.95","0.08","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H48 Cl N3 P2 Ti -","- C37 H48 Cl N3 P2 Ti -","- C74 H96 Cl2 N6 P4 Ti2 -","2","1","","Normand, Adrien T.; Massard, Alexandre; Richard, Philippe; Canovas, Coline; Balan, Cédric; Picquet, Michel; Auffrant, Audrey; Le Gendre, Pierre","Titanium imido complexes stabilised by bis(iminophosphoranyl)methanide ligands: the influence of N-substituents on solution dynamics and reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15098","15110","10.1039/c4dt00746h","","x-ray","0.71073","MoKα","","0.0459","0.0405","","","0.1137","0.1177","","","","","","1.062","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030906","12.5559","0.0013","12.7718","0.0013","17.8881","0.0018","110.689","0.002","91.837","0.002","102.914","0.002","2596.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(1,4,8,11,14,18,23,27-octa-azoniadiaza-6(2,5)-furana-16,25(1,4)-dibenzena bicyclo[9.9.9]nonacosaphane nitrate clathrate) heptanitrate trihydrate","","","- C34 H66 N16 O28 -","- C34 H60 N16 O28 -","- C68 H120 N32 O56 -","2","1","","Bergamaschi, Greta; Boiocchi, Massimo; Perrone, Maria Lucia; Poggi, Antonio; Viviani, Ivan; Amendola, Valeria","Mixing the spacers in azacryptands: effects on halide recognition.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11352","11360","10.1039/c4dt00886c","","","0.71073","MoKα","","0.1808","0.1131","","","0.309","0.3669","","","","","","1.122","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030907","8.7518","0.0011","8.3464","0.001","13.861","0.0018","90","","102.934","0.002","90","","986.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Br2 Cu K O6 -","- C12 H24 Br2 Cu K O6 -","- C24 H48 Br4 Cu2 K2 O12 -","2","0.5","","Wu, Fengshou; Tong, Hongbo; Li, Zaoying; Lei, Wang; Liu, Li; Wong, Wai-Yeung; Wong, Wai-Kwok; Zhu, Xunjin","A white phosphorescent coordination polymer with Cu2I2 alternating units linked by benzo-18-crown-6.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12463","12466","10.1039/c4dt01070a","","","0.71073","MoKα","","0.0595","0.0444","","","0.1284","0.1371","","","","","","1.087","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030908","8.7001","0.0008","8.1573","0.0007","13.828","0.0012","90","","102.88","0.002","90","","956.67","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cl2 Cu K O6 -","- C12 H24 Cl2 Cu K O6 -","- C24 H48 Cl4 Cu2 K2 O12 -","2","0.5","","Wu, Fengshou; Tong, Hongbo; Li, Zaoying; Lei, Wang; Liu, Li; Wong, Wai-Yeung; Wong, Wai-Kwok; Zhu, Xunjin","A white phosphorescent coordination polymer with Cu2I2 alternating units linked by benzo-18-crown-6.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12463","12466","10.1039/c4dt01070a","","","0.71073","MoKα","","0.0397","0.0241","","","0.0491","0.0557","","","","","","0.99","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030909","9.382","0.005","9.764","0.004","12.821","0.005","92.459","0.005","93.353","0.006","109.055","0.005","1105.8","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 Cu2 I4 K2 O12 -","- C32 H48 Cu2 I4 K2 O12 -","- C32 H48 Cu2 I4 K2 O12 -","1","0.5","","Wu, Fengshou; Tong, Hongbo; Li, Zaoying; Lei, Wang; Liu, Li; Wong, Wai-Yeung; Wong, Wai-Kwok; Zhu, Xunjin","A white phosphorescent coordination polymer with Cu2I2 alternating units linked by benzo-18-crown-6.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12463","12466","10.1039/c4dt01070a","","","0.71073","MoKα","","0.0382","0.0302","","","0.0626","0.0667","","","","","","1.064","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7030910","9.938","0.0012","17.818","0.002","12.446","0.0014","90","","100.936","0.002","90","","2163.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Br4 Cu2 K2 O12 -","- C32 H48 Br4 Cu2 K2 O12 -","- C64 H96 Br8 Cu4 K4 O24 -","2","0.5","","Wu, Fengshou; Tong, Hongbo; Li, Zaoying; Lei, Wang; Liu, Li; Wong, Wai-Yeung; Wong, Wai-Kwok; Zhu, Xunjin","A white phosphorescent coordination polymer with Cu2I2 alternating units linked by benzo-18-crown-6.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12463","12466","10.1039/c4dt01070a","","","0.71073","MoKα","","0.0624","0.0318","","","0.0661","0.0765","","","","","","0.982","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030911","8.486","0.0014","14.43","0.002","11.5135","0.0019","90","","95.387","0.002","90","","1403.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1a","","","- C24 H30 Cl4 N6 Ni2 O2 -","- C24 H30 Cl4 N6 Ni2 O2 -","- C48 H60 Cl8 N12 Ni4 O4 -","2","0.5","","Swarts, Andrew J.; Mapolie, Selwyn F.","The synthesis and application of novel Ni(ii) N-alkyl dipyridylaldiminato complexes as selective ethylene oligomerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9892","9900","10.1039/c4dt00537f","","","0.71073","MoKα","","0.0305","0.0249","","","0.0553","0.0581","","","","","","1.046","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7030912","21.751","0.004","11.949","0.002","13.415","0.002","90","","123.276","0.002","90","","2914.9","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 Cl4 N6 Ni O -","- C26 H34 Cl4 N6 Ni O -","- C104 H136 Cl16 N24 Ni4 O4 -","4","0.5","","Swarts, Andrew J.; Mapolie, Selwyn F.","The synthesis and application of novel Ni(ii) N-alkyl dipyridylaldiminato complexes as selective ethylene oligomerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9892","9900","10.1039/c4dt00537f","","","0.71073","MoKα","","0.0412","0.031","","","0.0674","0.0718","","","","","","1.05","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7030913","42.5046","0.0014","9.9891","0.0003","9.0748","0.0003","90","","101.875","0.003","90","","3770.5","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H22 N O0.5 Pt S -","- C22.5 H22 N O0.5 Pt S -","- C180 H176 N8 O4 Pt8 S8 -","8","1","","Belío, Ursula; Fuertes, Sara; Martín, Antonio","Preparation of Pt-Tl clusters showing new geometries. X-ray, NMR and luminescence studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10828","10843","10.1039/c4dt00536h","","","0.71073","MoKα","","0.0188","0.0182","","","0.0456","0.046","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030914","15.6681","0.0008","15.6681","0.0008","13.2867","0.0008","90","","90","","120","","2824.8","0.3","100","2","100","2","","","","","","","","8","P -6 2 c","P -6c -2c","190","","","","- C63 H57 F6 N3 P Pt3 S3 Tl -","- C63 H57 F5.96 N3 P Pt3 S3 Tl -","- C126 H114 F11.92 N6 P2 Pt6 S6 Tl2 -","2","0.166667","","Belío, Ursula; Fuertes, Sara; Martín, Antonio","Preparation of Pt-Tl clusters showing new geometries. X-ray, NMR and luminescence studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10828","10843","10.1039/c4dt00536h","","","0.71073","MoKα","","0.0341","0.0331","","","0.0889","0.0894","","","","","","1.043","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030915","31.2557","0.0007","22.8837","0.0003","24.1734","0.0003","90","","107.275","0.0018","90","","16510","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H81 F18 N6 P3 Pt3 Tl3 -","- C75 H80.5 F18 N6 P3 Pt3 Tl3 -","- C600 H644 F144 N48 P24 Pt24 Tl24 -","8","1","","Belío, Ursula; Fuertes, Sara; Martín, Antonio","Preparation of Pt-Tl clusters showing new geometries. X-ray, NMR and luminescence studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10828","10843","10.1039/c4dt00536h","","","0.71073","MoKα","","0.0373","0.0293","","","0.0686","0.0725","","","","","","1.074","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030916","18.702","0.0007","18.702","0.0007","23.5495","0.0009","90","","90","","120","","7133.3","0.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H10 B2 I2 N4 -","- C12 H10 B2 I2 N4 -","- C216 H180 B36 I36 N72 -","18","1","","Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and characterisation of the complete series of B-N analogues of triptycene.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8241","8253","10.1039/c4dt00442f","","","0.71073","MoKα","","0.0221","0.0219","","","0.0531","0.0533","","","","","","1.082","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030917","7.9633","0.001","8.515","0.0011","12.6954","0.0017","71.47","0.01","81.729","0.011","77.43","0.01","794.05","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 B2 N4 -","- C16 H20 B2 N4 -","- C32 H40 B4 N8 -","2","1","","Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and characterisation of the complete series of B-N analogues of triptycene.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8241","8253","10.1039/c4dt00442f","","","0.71073","MoKα","","0.0823","0.0648","","","0.1601","0.1655","","","","","","1.239","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030918","10.6013","0.0007","9.5489","0.0006","28.2614","0.0017","90","","99.567","0.005","90","","2821.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 B2 N4 -","- C28 H44 B2 N4 -","- C112 H176 B8 N16 -","4","1","","Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and characterisation of the complete series of B-N analogues of triptycene.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8241","8253","10.1039/c4dt00442f","","","0.71073","MoKα","","0.099","0.0518","","","0.1036","0.1171","","","","","","0.923","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030919","9.6394","0.0008","15.7965","0.0013","12.9452","0.0012","90","","101.491","0.007","90","","1931.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 B2 F12 N4 -","- C16 H8 B2 F12 N4 -","- C64 H32 B8 F48 N16 -","4","1","","Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and characterisation of the complete series of B-N analogues of triptycene.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8241","8253","10.1039/c4dt00442f","","","0.71073","MoKα","","0.1027","0.0755","","","0.1265","0.1371","","","","","","1.155","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030920","11.061","0.003","7.8312","0.0014","27.648","0.009","90","","98.73","0.02","90","","2367.1","1.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 B2 Fe I2 N4 O -","- C20 H24 B2 Fe I2 N4 O -","- C80 H96 B8 Fe4 I8 N16 O4 -","4","1","","Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and characterisation of the complete series of B-N analogues of triptycene.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8241","8253","10.1039/c4dt00442f","","","0.71073","MoKα","","0.2363","0.1148","","","0.1924","0.2362","","","","","","0.998","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030921","21.7729","0.0016","11.9678","0.0012","24.4436","0.0018","90","","115.688","0.005","90","","5739.9","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H49 B4 Fe2 I5 N10 -","- C53 H49 B4 Fe2 I5 N10 -","- C212 H196 B16 Fe8 I20 N40 -","4","1","","Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and characterisation of the complete series of B-N analogues of triptycene.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8241","8253","10.1039/c4dt00442f","","","0.71073","MoKα","","0.1459","0.0678","","","0.0973","0.1167","","","","","","0.914","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030922","12.0607","0.0005","9.6544","0.0006","18.188","0.0008","90","","90","","90","","2117.79","0.18","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H16 B2 Br2 Cl2 N6 -","- C16 H16 B2 Br2 Cl2 N6 -","- C64 H64 B8 Br8 Cl8 N24 -","4","0.5","","Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and characterisation of the complete series of B-N analogues of triptycene.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8241","8253","10.1039/c4dt00442f","","","0.71073","MoKα","","0.0383","0.0353","","","0.078","0.0794","","","","","","1.18","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030923","9.7625","0.0008","11.1593","0.0008","11.5455","0.0009","90.305","0.006","107.707","0.006","106.691","0.006","1141.79","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 B2 Br3 N6 -","- C21 H17 B2 Br3 N6 -","- C42 H34 B4 Br6 N12 -","2","1","","Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and characterisation of the complete series of B-N analogues of triptycene.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8241","8253","10.1039/c4dt00442f","","","0.71073","MoKα","","0.0474","0.0363","","","0.0872","0.0911","","","","","","1.015","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030924","15.7852","0.0007","22.9613","0.001","12.9046","0.0005","90","","113.391","0.003","90","","4292.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 B2 Br2 N4 O2 -","- C20 H20 B2 Br2 N4 O2 -","- C160 H160 B16 Br16 N32 O16 -","8","2","","Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and characterisation of the complete series of B-N analogues of triptycene.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8241","8253","10.1039/c4dt00442f","","","0.71073","MoKα","","0.1048","0.0598","","","0.1343","0.1562","","","","","","1.025","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030925","7.6702","0.0005","12.4132","0.0007","11.2406","0.0007","90","","102.351","0.005","90","","1045.47","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 B2 Br2 N4 O2 -","- C20 H20 B2 Br2 N4 O2 -","- C40 H40 B4 Br4 N8 O4 -","2","0.5","","Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and characterisation of the complete series of B-N analogues of triptycene.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8241","8253","10.1039/c4dt00442f","","","0.71073","MoKα","","0.0415","0.0293","","","0.066","0.0696","","","","","","0.965","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030926","12.4434","0.001","20.6663","0.0013","12.4374","0.0011","90","","109.677","0.006","90","","3011.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 B2 N4 O2 Si2 -","- C26 H38 B2 N4 O2 Si2 -","- C104 H152 B8 N16 O8 Si8 -","4","1","","Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and characterisation of the complete series of B-N analogues of triptycene.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8241","8253","10.1039/c4dt00442f","","","0.71073","MoKα","","0.0994","0.0777","","","0.1489","0.1584","","","","","","1.03","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030927","8.8267","0.0008","11.3525","0.0011","14.2556","0.0014","99.583","0.008","106.299","0.007","106.005","0.007","1271.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H34 B4 F24 N8 -","- C47 H34 B4 F24 N8 -","- C47 H34 B4 F24 N8 -","1","0.5","","Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and characterisation of the complete series of B-N analogues of triptycene.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8241","8253","10.1039/c4dt00442f","","","0.71073","MoKα","","0.058","0.0451","","","0.1127","0.1189","","","","","","1.046","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030928","10.61","0.002","11.003","0.003","12.115","0.003","63.855","0.017","70.231","0.017","80.803","0.017","1194.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H54 B4 Cl4 N8 Si4 -","- C32 H54 B4 Cl4 N8 Si4 -","- C32 H54 B4 Cl4 N8 Si4 -","1","0.5","","Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and characterisation of the complete series of B-N analogues of triptycene.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8241","8253","10.1039/c4dt00442f","","","0.71073","MoKα","","0.189","0.0774","","","0.1452","0.1809","","","","","","0.856","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030929","11.7201","0.0015","8.1454","0.001","15.683","0.003","90","0.005","100.962","0.005","90","0.005","1469.9","0.4","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N7 O -","- C14 H19 N7 O -","- C56 H76 N28 O4 -","4","1","","Hutchinson, Daniel J.; Hanton, Lyall R.; Moratti, Stephen C.","Tetratopic pyrimidine-hydrazone ligands modified with terminal hydroxymethyl and acryloyl arms and their Pb(ii), Zn(ii), Cu(ii) and Ag(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8205","8218","10.1039/c3dt53559b","","","0.71069","MoKα","","0.0745","0.0597","","","0.1444","0.1563","","","","","","1.034","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030930","33.8887","0.0017","33.8887","","15.8396","0.001","90","","90","","90","","18190.9","1.5","90","2","90","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C40 H42 N16 O2 -","- C40 H42 N16 O2 -","- C640 H672 N256 O32 -","16","1","","Hutchinson, Daniel J.; Hanton, Lyall R.; Moratti, Stephen C.","Tetratopic pyrimidine-hydrazone ligands modified with terminal hydroxymethyl and acryloyl arms and their Pb(ii), Zn(ii), Cu(ii) and Ag(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8205","8218","10.1039/c3dt53559b","","","0.71069","MoKα","","0.0698","0.0649","","","0.1621","0.1648","","","","","","1.154","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030931","9.2296","0.001","17.3147","0.0018","25.755","0.003","102.491","0.004","93.675","0.004","104.479","0.004","3860.3","0.7","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H58 Cl8 N20 O44 Pb4 -","- C44 H58 Cl8 N20 O44 Pb4 -","- C88 H116 Cl16 N40 O88 Pb8 -","2","1","","Hutchinson, Daniel J.; Hanton, Lyall R.; Moratti, Stephen C.","Tetratopic pyrimidine-hydrazone ligands modified with terminal hydroxymethyl and acryloyl arms and their Pb(ii), Zn(ii), Cu(ii) and Ag(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8205","8218","10.1039/c3dt53559b","","","0.71069","MoKα","","0.071","0.0565","","","0.1297","0.139","","","","","","1.027","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030932","18.0882","0.0018","19.955","0.003","26.553","0.003","70.191","0.005","87.643","0.005","87.432","0.005","9004.7","1.9","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C110 H105 F48 N39 O53 Pb8 S16 -","- C110 H105 F48 N39 O53 Pb8 S16 -","- C220 H210 F96 N78 O106 Pb16 S32 -","2","1","","Hutchinson, Daniel J.; Hanton, Lyall R.; Moratti, Stephen C.","Tetratopic pyrimidine-hydrazone ligands modified with terminal hydroxymethyl and acryloyl arms and their Pb(ii), Zn(ii), Cu(ii) and Ag(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8205","8218","10.1039/c3dt53559b","","","0.71069","MoKα","","0.0946","0.0706","","","0.1694","0.1804","","","","","","1.104","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030933","29.752","0.003","10.5359","0.0009","44.383","0.004","90","","109.239","0.003","90","","13135","2","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H112 Cl8 N38 O41 Pb4 -","- C96 H112 Cl8 N38 O41 Pb4 -","- C384 H448 Cl32 N152 O164 Pb16 -","4","0.5","","Hutchinson, Daniel J.; Hanton, Lyall R.; Moratti, Stephen C.","Tetratopic pyrimidine-hydrazone ligands modified with terminal hydroxymethyl and acryloyl arms and their Pb(ii), Zn(ii), Cu(ii) and Ag(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8205","8218","10.1039/c3dt53559b","","","0.71069","MoKα","","0.083","0.0698","","","0.1493","0.1544","","","","","","1.236","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030934","11.93796","0.00015","18.6842","0.0002","21.6335","0.0002","113.901","0.0011","92.2282","0.0009","105.82","0.0011","4182.87","0.09","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H62 Cu3 F18 N20 O24 S6 -","- C60 H62 Cu3 F18 N20 O24 S6 -","- C120 H124 Cu6 F36 N40 O48 S12 -","2","1","","Hutchinson, Daniel J.; Hanton, Lyall R.; Moratti, Stephen C.","Tetratopic pyrimidine-hydrazone ligands modified with terminal hydroxymethyl and acryloyl arms and their Pb(ii), Zn(ii), Cu(ii) and Ag(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8205","8218","10.1039/c3dt53559b","","","1.5418","CuKα","","0.0901","0.0838","","","0.2397","0.2487","","","","","","1.042","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030935","15.957","0.003","16.872","0.003","17.655","0.003","90.879","0.008","104.34","0.008","99.074","0.008","4540.1","1.4","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H89 Ag2 F6 N33 O11 S2 -","- C84 H89 Ag2 F6 N33 O11 S2 -","- C168 H178 Ag4 F12 N66 O22 S4 -","2","1","","Hutchinson, Daniel J.; Hanton, Lyall R.; Moratti, Stephen C.","Tetratopic pyrimidine-hydrazone ligands modified with terminal hydroxymethyl and acryloyl arms and their Pb(ii), Zn(ii), Cu(ii) and Ag(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8205","8218","10.1039/c3dt53559b","","","0.71069","MoKα","","0.0788","0.0695","","","0.1599","0.1691","","","","","","1.065","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030936","9.737","0.0007","12.1842","0.0009","24.1371","0.0018","84.8276","0.0009","78.9662","0.0009","69.6098","0.0009","2633.7","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H66 N3 P2 Si2 Y -","- C54 H66 N3 P2 Si2 Y -","- C108 H132 N6 P4 Si4 Y2 -","2","1","","Zamora, Matthew T.; Johnson, Kevin R. D.; Hänninen, Mikko M; Hayes, Paul G.","Differences in the cyclometalation reactivity of bisphosphinimine-supported organo-rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10739","10750","10.1039/c4dt00863d","","","0.71073","MoKα","","0.046","0.0403","","","0.0999","0.1031","","","","","","1.034","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030937","14.806","0.002","14.713","0.002","29.208","0.005","90","","101.263","0.0018","90","","6240.2","1.6","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H70 N3 O2 P2 Si Sm -","- C58 H70 N3 O2 P2 Si Sm -","- C232 H280 N12 O8 P8 Si4 Sm4 -","4","1","","Zamora, Matthew T.; Johnson, Kevin R. D.; Hänninen, Mikko M; Hayes, Paul G.","Differences in the cyclometalation reactivity of bisphosphinimine-supported organo-rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10739","10750","10.1039/c4dt00863d","","","0.71073","MoKα","","0.0899","0.0788","","","0.1761","0.1798","","","","","","1.2","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030938","15.9755","0.0013","17.8486","0.0015","17.3855","0.0014","90","","109.203","0.001","90","","4681.5","0.7","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C112 H112 N6 O2 P4 Sm2 -","- C112 H112 N6 O2 P4 Sm2 -","- C224 H224 N12 O4 P8 Sm4 -","2","0.5","","Zamora, Matthew T.; Johnson, Kevin R. D.; Hänninen, Mikko M; Hayes, Paul G.","Differences in the cyclometalation reactivity of bisphosphinimine-supported organo-rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10739","10750","10.1039/c4dt00863d","","","0.71073","MoKα","","0.0244","0.0199","","","0.0473","0.0499","","","","","","1.033","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030939","12.3595","0.0011","13.8452","0.0012","24.642","0.002","104.304","0.0009","101.221","0.0009","95.5028","0.0009","3961.7","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H87 N6 P4 Sm -","- C92 H87 N6 P4 Sm -","- C184 H174 N12 P8 Sm2 -","2","1","","Zamora, Matthew T.; Johnson, Kevin R. D.; Hänninen, Mikko M; Hayes, Paul G.","Differences in the cyclometalation reactivity of bisphosphinimine-supported organo-rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10739","10750","10.1039/c4dt00863d","","","0.71073","MoKα","","0.0487","0.0384","","","0.0931","0.0965","","","","","","0.993","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030940","21.649","0.005","22.032","0.005","45.231","0.01","90","","90","","90","","21574","8","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C116 H88 B F20 Lu N6 P4 -","- C116 H88 B F20 Lu N6 P4 -","- C928 H704 B8 F160 Lu8 N48 P32 -","8","1","","Zamora, Matthew T.; Johnson, Kevin R. D.; Hänninen, Mikko M; Hayes, Paul G.","Differences in the cyclometalation reactivity of bisphosphinimine-supported organo-rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10739","10750","10.1039/c4dt00863d","","","0.71073","MoKα","","0.0406","0.0285","","","0.0646","0.0686","","","","","","1.047","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030941","6.6086","0.0001","19.8732","0.0004","15.9308","0.0004","90","","99.07","0.002","90","","2066.1","0.07","123","2","123","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H33 Li Si3 Zn -","- C12 H33 Li Si3 Zn -","- C48 H132 Li4 Si12 Zn4 -","4","1","","Armstrong, David R.; Emerson, Helena S.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Hevia, Eva","New supramolecular assemblies in heterobimetallic chemistry: synthesis of a homologous series of unsolvated alkali-metal zincates.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14229","14238","10.1039/c4dt01131g","","x-ray","1.5418","CuKα","","0.0387","0.0306","","","0.0735","0.0781","","","","","","1.02","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030942","9.9657","0.0002","24.5335","0.0004","16.5399","0.0003","90","","90.708","0.002","90","","4043.59","0.13","123","2","123","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H33 Na Si3 Zn -","- C12 H33 Na Si3 Zn -","- C96 H264 Na8 Si24 Zn8 -","8","2","","Armstrong, David R.; Emerson, Helena S.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Hevia, Eva","New supramolecular assemblies in heterobimetallic chemistry: synthesis of a homologous series of unsolvated alkali-metal zincates.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14229","14238","10.1039/c4dt01131g","","x-ray","0.71073","MoKα","","0.0566","0.0378","","","0.0735","0.0803","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030943","11.0083","0.0011","18.6159","0.001","11.2426","0.001","90","","115.011","0.011","90","","2087.9","0.4","123","2","123","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H33 K Si3 Zn -","- C12 H33 K Si3 Zn -","- C48 H132 K4 Si12 Zn4 -","4","1","","Armstrong, David R.; Emerson, Helena S.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Hevia, Eva","New supramolecular assemblies in heterobimetallic chemistry: synthesis of a homologous series of unsolvated alkali-metal zincates.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14229","14238","10.1039/c4dt01131g","","x-ray","0.71073","MoKα","","0.1115","0.0512","","","0.1062","0.1287","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030944","16.1037","0.0004","10.6433","0.0002","18.4366","0.0004","90","","91.39","0.002","90","","3159.04","0.12","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H56 Li N3 Si3 Zn -","- C21 H56 Li N3 Si3 Zn -","- C84 H224 Li4 N12 Si12 Zn4 -","4","1","","Armstrong, David R.; Emerson, Helena S.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Hevia, Eva","New supramolecular assemblies in heterobimetallic chemistry: synthesis of a homologous series of unsolvated alkali-metal zincates.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14229","14238","10.1039/c4dt01131g","","x-ray","0.71073","MoKα","","0.0645","0.0402","","","0.0767","0.0849","","","","","","1.033","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030945","16.989","0.0006","11.2669","0.0003","19.2447","0.0006","90","","90.577","0.003","90","","3683.5","0.2","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H65 N4 Na Si3 Zn -","- C24 H65 N4 Na Si3 Zn -","- C96 H260 N16 Na4 Si12 Zn4 -","4","1","","Armstrong, David R.; Emerson, Helena S.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Hevia, Eva","New supramolecular assemblies in heterobimetallic chemistry: synthesis of a homologous series of unsolvated alkali-metal zincates.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14229","14238","10.1039/c4dt01131g","","x-ray","1.5418","CuKα","","0.0694","0.0429","","","0.0926","0.1066","","","","","","1.02","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030946","32.8047","0.0008","16.8286","0.0005","31.6834","0.0008","90","","91.867","0.002","90","","17481.8","0.8","130","2","130","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C170 H204 Cd2 N18 O31 P4 -","- C140 H134 Cd2 N8 O21 P4 -","- C560 H536 Cd8 N32 O84 P16 -","4","1","","Lestari, Witri Wahyu; Streit, Huayna Cerqueira; Lönnecke, Peter; Wickleder, Claudia; Hey-Hawkins, Evamarie","Synthesis, structure and luminescence properties of a cadmium(ii)-based coordination polymer with (S)-4,4'-bis(4-carboxyphenyl)-2,2'-bis(diphenylphosphinoyl)-1,1'-binaphthyl as chiral linker.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8188","8195","10.1039/c3dt53543f","","","1.54184","CuKα","","0.0763","0.0604","","","0.1578","0.1692","","","","","","1","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030947","10.193","0.004","13.722","0.005","14.606","0.006","107.685","0.006","102.17","0.007","111.188","0.006","1692.5","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H54 Co3 N12 O16 -","- C70 H54 Co3 N12 O16 -","- C70 H54 Co3 N12 O16 -","1","0.5","","Li, Yuan-Pu; Chai, Ying; Yang, Guo-Ping; Miao, Hui-Hui; Cui, Lin; Wang, Yao-Yu; Shi, Qi-Zhen","Metal ions and solvents ratio co-regulate four new magnetic coordination polymers based upon an unsymmetric tricarboxylate acid ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10947","10955","10.1039/c4dt00995a","","","0.71073","MoKα","","0.1144","0.0731","","","0.2094","0.3114","","","","","","1.044","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030948","10.125","0.0008","10.7664","0.0009","13.2928","0.0012","86.521","0.001","73.151","0.002","85.317","0.001","1381.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Mn3 N8 O20 -","- C54 H50 Mn3 N8 O20 -","- C54 H50 Mn3 N8 O20 -","1","0.5","","Li, Yuan-Pu; Chai, Ying; Yang, Guo-Ping; Miao, Hui-Hui; Cui, Lin; Wang, Yao-Yu; Shi, Qi-Zhen","Metal ions and solvents ratio co-regulate four new magnetic coordination polymers based upon an unsymmetric tricarboxylate acid ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10947","10955","10.1039/c4dt00995a","","","0.71073","MoKα","","0.077","0.0514","","","0.1315","0.1705","","","","","","1.012","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030949","11.6286","0.0016","13.6585","0.0018","15.944","0.002","90","","90","","90","","2532.4","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 N4 Ni O9 -","- C27 H24 N4 Ni O9 -","- C108 H96 N16 Ni4 O36 -","4","1","","Li, Yuan-Pu; Chai, Ying; Yang, Guo-Ping; Miao, Hui-Hui; Cui, Lin; Wang, Yao-Yu; Shi, Qi-Zhen","Metal ions and solvents ratio co-regulate four new magnetic coordination polymers based upon an unsymmetric tricarboxylate acid ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10947","10955","10.1039/c4dt00995a","","","0.71073","MoKα","","0.0843","0.0533","","","0.1086","0.134","","","","","","1.009","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030950","13.683","0.002","23.839","0.004","14.576","0.002","90","","99.745","0.004","90","","4685.9","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H74 N16 Ni3 O34 -","- C78 H74 N16 Ni3 O34 -","- C156 H148 N32 Ni6 O68 -","2","0.5","","Li, Yuan-Pu; Chai, Ying; Yang, Guo-Ping; Miao, Hui-Hui; Cui, Lin; Wang, Yao-Yu; Shi, Qi-Zhen","Metal ions and solvents ratio co-regulate four new magnetic coordination polymers based upon an unsymmetric tricarboxylate acid ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10947","10955","10.1039/c4dt00995a","","","0.71073","MoKα","","0.1828","0.089","","","0.2193","0.2808","","","","","","1.153","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030951","8.2447","0.0002","16.8075","0.0004","15.652","0.0005","90","","95.76","0.003","90","","2157.99","0.1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 Cu3 N O11 -","- C14 H25 Cu3 N O11 -","- C56 H100 Cu12 N4 O44 -","4","1","","Chen, Zilu; Liu, Long; Wang, Yifei; Zou, Huahong; Zhang, Zhong; Liang, Fupei","A two-dimensional homospin Cu(ii) ferrimagnet featuring S-shaped hexanuclear secondary building blocks.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8154","8157","10.1039/c4dt00375f","","","0.71073","MoKα","","0.0425","0.0358","","","0.0781","0.0813","","","","","","1.123","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030952","23.0193","0.0007","15.7635","0.0007","31.345","0.0014","90","","101.205","0.003","90","","11157.2","0.8","109.95","0.1","109.95","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58.3 H52 Cl F9 N3 O2.2 P3 Ru -","- C58.3 H52 Cl F9 N3 O2.2 P3 Ru -","- C466.4 H416 Cl8 F72 N24 O17.6 P24 Ru8 -","8","1","","Breit, Bernhard; Gellrich, Urs; Li, Timothy; Lynam, Jason M.; Milner, Lucy M.; Pridmore, Natalie E.; Slattery, John M.; Whitwood, Adrian C.","Mechanistic insight into the ruthenium-catalysed anti-Markovnikov hydration of alkynes using a self-assembled complex: a crucial role for ligand-assisted proton shuttle processes.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11277","11285","10.1039/c4dt00712c","","","0.71073","MoKα","","0.0996","0.0639","","","0.1192","0.1336","","","","","","1.09","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030953","20.88","0.006","21.762","0.006","22.215","0.005","90","","90","","90","","10094","5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Fe4L6-Cl(R)","","","- C102 H100 Cl6 Fe4 N10 O16 -","- C102 H100 Cl6 Fe4 N10 O16 -","- C408 H400 Cl24 Fe16 N40 O64 -","4","1","","Zhu, Yuan-Yuan; Cui, Chang; Qian, Kang; Yin, Ji; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","A family of enantiopure Fe(III)4 single molecule magnets: fine tuning of energy barrier by remote substituent.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11897","11907","10.1039/c3dt53317d","","","0.71073","MoKα","","0.0647","0.0599","","","0.1578","0.1659","","","","","","1.245","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030954","20.925","0.004","21.788","0.004","22.222","0.004","90","","90","","90","","10131","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Fe4L6-Cl(S)","","","- C102 H100 Cl6 Fe4 N10 O16 -","- C102 H100 Cl6 Fe4 N10 O16 -","- C408 H400 Cl24 Fe16 N40 O64 -","4","1","","Zhu, Yuan-Yuan; Cui, Chang; Qian, Kang; Yin, Ji; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","A family of enantiopure Fe(III)4 single molecule magnets: fine tuning of energy barrier by remote substituent.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11897","11907","10.1039/c3dt53317d","","","0.71073","MoKα","","0.0853","0.077","","","0.1895","0.2019","","","","","","1.238","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030955","12.475","0.002","19.361","0.004","24.438","0.005","90","","104.566","0.002","90","","5712.8","1.9","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Fe4L6-Br(R)","","","- C107 H112.5 Br6 Fe4 N11.5 O18 -","- C107 H110.5 Br6 Fe4 N11.5 O18 -","- C214 H221 Br12 Fe8 N23 O36 -","2","1","","Zhu, Yuan-Yuan; Cui, Chang; Qian, Kang; Yin, Ji; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","A family of enantiopure Fe(III)4 single molecule magnets: fine tuning of energy barrier by remote substituent.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11897","11907","10.1039/c3dt53317d","","","0.71073","MoKα","","0.1198","0.0981","","","0.1812","0.1949","","","","","","1.137","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030956","12.484","0.003","19.542","0.004","24.631","0.005","90","","104.65","0.03","90","","5814","2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","Fe4L6-I(R)","","","- C108 H114 Fe4 I6 N12 O18 -","- C108 H114 Fe4 I6 N12 O18 -","- C216 H228 Fe8 I12 N24 O36 -","2","1","","Zhu, Yuan-Yuan; Cui, Chang; Qian, Kang; Yin, Ji; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","A family of enantiopure Fe(III)4 single molecule magnets: fine tuning of energy barrier by remote substituent.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11897","11907","10.1039/c3dt53317d","","","0.71073","MoKα","","0.0742","0.0687","","","0.1926","0.2071","","","","","","1.11","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030957","17.7804","0.0003","21.4247","0.0004","18.2283","0.0004","90","","91.988","0.002","90","","6939.7","0.2","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","Fe4L6-tBu(R)","","","- C138 H180 Fe4 N12 O18 -","- C138 H180 Fe4 N12 O18 -","- C276 H360 Fe8 N24 O36 -","2","1","","Zhu, Yuan-Yuan; Cui, Chang; Qian, Kang; Yin, Ji; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","A family of enantiopure Fe(III)4 single molecule magnets: fine tuning of energy barrier by remote substituent.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11897","11907","10.1039/c3dt53317d","","","0.71073","MoKα","","0.0758","0.0604","","","0.1574","0.1719","","","","","","1.039","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030958","12.863","0.003","12.141","0.003","14.571","0.004","90","","101.508","0.007","90","","2229.8","1","100","2","100","2","","","","","","","","10","P 1 21 1","P 2yb","4","","","","- C43 H32 B2 Cl3 F2 Fe N6 O6 P S -","- C43 H32 B2 Cl3 F2 Fe N6 O6 P S -","- C86 H64 B4 Cl6 F4 Fe2 N12 O12 P2 S2 -","2","1","","Artyushin, Oleg I.; Odinets, Irina L.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Varzatskii, Oleg A.; Lyubimov, Sergey E.; Voloshin, Yan Z.","Clathrochelates meet phosphorus: thiophosphorylation of Fe(ii) dichloroclathrochelate precursor, synthesis of N,S-donor macrobicyclic ligands and their Pd(ii) complexes as potent catalysts of Suzuki cross-coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9677","9689","10.1039/c3dt53590h","","","0.71073","MoKα","","0.0872","0.0552","","","0.0795","0.0935","","","","","","1.004","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030959","16.6296","0.0016","12.3689","0.0012","32.241","0.003","90","","130.445","0.002","90","","5046.9","0.8","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 B2 Cl4 F2 Fe N7 O6 P S -","- C48 H44 B2 Cl4 F2 Fe N7 O6 P S -","- C192 H176 B8 Cl16 F8 Fe4 N28 O24 P4 S4 -","4","1","","Artyushin, Oleg I.; Odinets, Irina L.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Varzatskii, Oleg A.; Lyubimov, Sergey E.; Voloshin, Yan Z.","Clathrochelates meet phosphorus: thiophosphorylation of Fe(ii) dichloroclathrochelate precursor, synthesis of N,S-donor macrobicyclic ligands and their Pd(ii) complexes as potent catalysts of Suzuki cross-coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9677","9689","10.1039/c3dt53590h","","","0.71073","MoKα","","0.16","0.0869","","","0.1588","0.1778","","","","","","1.012","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030960","11.1261","0.0005","12.3086","0.0006","22.0017","0.0011","77.363","0.004","78.582","0.004","64.675","0.003","2638.8","0.2","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C53 H49 B2 Cl2 F2 Fe N8 O7 P S -","- C52 H47 B2 F2 Fe N8 O7 P S -","- C104 H94 B4 F4 Fe2 N16 O14 P2 S2 -","2","1","","Artyushin, Oleg I.; Odinets, Irina L.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Varzatskii, Oleg A.; Lyubimov, Sergey E.; Voloshin, Yan Z.","Clathrochelates meet phosphorus: thiophosphorylation of Fe(ii) dichloroclathrochelate precursor, synthesis of N,S-donor macrobicyclic ligands and their Pd(ii) complexes as potent catalysts of Suzuki cross-coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9677","9689","10.1039/c3dt53590h","","","1.54178","CuKα","","0.169","0.0977","","","0.2145","0.2463","","","","","","1.006","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030961","13.219","0.014","13.73","0.02","16.225","0.018","90.88","0.04","100.76","0.03","112.68","0.05","2657","6","120","0.2","120","0.2","","","","","","","","10","P -1","-P 1","2","","","","- C48 H42 B2 Cl6 F2 Fe N7 O6 P S2 -","- C48 H42 B2 Cl6 F2 Fe N7 O6 P S2 -","- C96 H84 B4 Cl12 F4 Fe2 N14 O12 P2 S4 -","2","1","","Artyushin, Oleg I.; Odinets, Irina L.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Varzatskii, Oleg A.; Lyubimov, Sergey E.; Voloshin, Yan Z.","Clathrochelates meet phosphorus: thiophosphorylation of Fe(ii) dichloroclathrochelate precursor, synthesis of N,S-donor macrobicyclic ligands and their Pd(ii) complexes as potent catalysts of Suzuki cross-coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9677","9689","10.1039/c3dt53590h","","","0.71073","MoKα","","0.1059","0.0644","","","0.1277","0.1462","","","","","","1.006","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030962","11.892","0.006","19.945","0.01","24.004","0.013","113.552","0.01","102.415","0.012","90.045","0.012","5073","5","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C92.5 H79 B4 Cl3.5 F4 Fe2 N14 O12 P2 S2 -","- C89 H72 B4 F4 Fe2 N14 O12 P2 S2 -","- C178 H144 B8 F8 Fe4 N28 O24 P4 S4 -","2","1","","Artyushin, Oleg I.; Odinets, Irina L.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Varzatskii, Oleg A.; Lyubimov, Sergey E.; Voloshin, Yan Z.","Clathrochelates meet phosphorus: thiophosphorylation of Fe(ii) dichloroclathrochelate precursor, synthesis of N,S-donor macrobicyclic ligands and their Pd(ii) complexes as potent catalysts of Suzuki cross-coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9677","9689","10.1039/c3dt53590h","","","0.71073","MoKα","","0.1638","0.078","","","0.1469","0.1702","","","","","","0.834","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030963","17.304","0.008","12.319","0.007","25.949","0.016","90","","94.57","0.01","90","","5514","5","100","2","100","2","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C49 H39 B2 Cl3 F2 Fe N8 O6.5 P Pd S -","- C49 H39 B2 Cl3 F2 Fe N8 O6.5 P Pd S -","- C196 H156 B8 Cl12 F8 Fe4 N32 O26 P4 Pd4 S4 -","4","1","","Artyushin, Oleg I.; Odinets, Irina L.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Varzatskii, Oleg A.; Lyubimov, Sergey E.; Voloshin, Yan Z.","Clathrochelates meet phosphorus: thiophosphorylation of Fe(ii) dichloroclathrochelate precursor, synthesis of N,S-donor macrobicyclic ligands and their Pd(ii) complexes as potent catalysts of Suzuki cross-coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9677","9689","10.1039/c3dt53590h","","","0.71073","MoKα","","0.1607","0.0822","","","0.1867","0.2209","","","","","","1.003","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030964","16.7464","0.001","12.4506","0.0007","27.3672","0.0015","90","","94.394","0.001","90","","5689.4","0.6","120","2","120","2","","","","","","","","11","P 1 21/c 1","-P 2ybc","14","","","","- C51 H42 B2 Cl5 F2 Fe N8 O6 P Pd S -","- C51 H42 B2 Cl5 F2 Fe N8 O6 P Pd S -","- C204 H168 B8 Cl20 F8 Fe4 N32 O24 P4 Pd4 S4 -","4","1","","Artyushin, Oleg I.; Odinets, Irina L.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Varzatskii, Oleg A.; Lyubimov, Sergey E.; Voloshin, Yan Z.","Clathrochelates meet phosphorus: thiophosphorylation of Fe(ii) dichloroclathrochelate precursor, synthesis of N,S-donor macrobicyclic ligands and their Pd(ii) complexes as potent catalysts of Suzuki cross-coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9677","9689","10.1039/c3dt53590h","","","0.71073","MoKα","","0.1171","0.0706","","","0.1592","0.1896","","","","","","1.012","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030965","7.703","0.003","11.939","0.005","15.079","0.006","71.471","0.007","86.857","0.007","76.382","0.007","1277.6","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 Au F5 N2 -","- C31 H22 Au F5 N2 -","- C62 H44 Au2 F10 N4 -","2","1","","Lentijo, S.; Expósito, J E; Aullón, G; Miguel, J. A.; Espinet, P.","Highly fluorescent complexes with 3-isocyanoperylene and N-(2,5-di-tert-butylphenyl)-9-isocyano-perylene-3,4-dicarboximide.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10885","10897","10.1039/c4dt01016g","","","0.71073","MoKα","","0.0416","0.0323","","","0.0779","0.0823","","","","","","1.035","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030966","12.312","0.003","18.978","0.004","13.736","0.003","90","","106.512","0.004","90","","3077.2","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 Au F4 N2 O -","- C35 H31 Au F4 N2 O -","- C140 H124 Au4 F16 N8 O4 -","4","1","","Lentijo, S.; Expósito, J E; Aullón, G; Miguel, J. A.; Espinet, P.","Highly fluorescent complexes with 3-isocyanoperylene and N-(2,5-di-tert-butylphenyl)-9-isocyano-perylene-3,4-dicarboximide.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10885","10897","10.1039/c4dt01016g","","","0.71073","MoKα","","0.1068","0.0494","","","0.1248","0.1534","","","","","","1.014","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030967","11.413","0.005","17.448","0.005","21.602","0.005","90","","97.815","0.005","90","","4262","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bmkxr14","","","- C46 H66 N5 Ta -","- C46 H66 N5 Ta -","- C184 H264 N20 Ta4 -","4","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Generation of low-valent tantalum species by reversible C-H activation in a cyclometallated tantalum hydride complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10046","10056","10.1039/c4dt00923a","","","0.71073","MoKα","","0.0354","0.0287","","","0.0602","0.0627","","","","","","1.062","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030968","9.1595","0.0003","11.4603","0.0004","17.0518","0.0006","87.553","0.002","81.957","0.002","71.414","0.002","1679.89","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","bmk1026","","","- C36 H53 N3 Ta -","- C36 H53 N3 Ta -","- C72 H106 N6 Ta2 -","2","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Generation of low-valent tantalum species by reversible C-H activation in a cyclometallated tantalum hydride complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10046","10056","10.1039/c4dt00923a","","","0.71073","MoKα","","0.0354","0.031","","","0.0766","0.0793","","","","","","1.077","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030969","9.0824","0.0005","11.2781","0.0006","18.1047","0.0009","74.765","0.002","84.576","0.002","73.29","0.002","1713.41","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","bmkxr11","","","- C37 H55 N3 Ta -","- C37 H55 N3 Ta -","- C74 H110 N6 Ta2 -","2","1","","Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John","Generation of low-valent tantalum species by reversible C-H activation in a cyclometallated tantalum hydride complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10046","10056","10.1039/c4dt00923a","","","0.71073","MoKα","","0.0208","0.0184","","","0.0401","0.0409","","","","","","1.064","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030970","19.079","0.005","18.583","0.005","10.924","0.005","90","","90","","90","","3873","2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C32 H40 Cl2 N4 O10 P2 V2 -","- C32 H40 Cl2 N4 O10 P2 V2 -","- C128 H160 Cl8 N16 O40 P8 V8 -","4","0.5","","Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Chandrasekhar, Vadapalli","Di-, tri- and tetranuclear molecular vanadium phosphonates: a chloride encapsulated tetranuclear bowl.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10898","10909","10.1039/c4dt00720d","","","0.71069","MoKα","","0.0898","0.0673","","","0.1543","0.167","","","","","","1.055","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030971","23.066","0.005","14.961","0.005","10.893","0.005","90","","90","","90","","3759","2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C28 H41 Cl2 N4 O11 P2 V2 -","- C28 H41 Cl2 N4 O11 P2 V2 -","- C112 H164 Cl8 N16 O44 P8 V8 -","4","0.5","","Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Chandrasekhar, Vadapalli","Di-, tri- and tetranuclear molecular vanadium phosphonates: a chloride encapsulated tetranuclear bowl.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10898","10909","10.1039/c4dt00720d","","","0.71069","MoKα","","0.1351","0.1182","","","0.2723","0.2865","","","","","","1.034","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030972","9.765","0.003","12.448","0.004","14.734","0.004","66.947","0.005","84.914","0.006","80.991","0.005","1626.9","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H62 N8 O17 P2 V4 -","- C51 H62 N8 O17 P2 V4 -","- C51 H62 N8 O17 P2 V4 -","1","0.5","","Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Chandrasekhar, Vadapalli","Di-, tri- and tetranuclear molecular vanadium phosphonates: a chloride encapsulated tetranuclear bowl.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10898","10909","10.1039/c4dt00720d","","","0.71069","MoKα","","0.1292","0.0967","","","0.2693","0.3054","","","","","","1.069","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030973","26.464","0.005","27.628","0.005","14.057","0.005","90","","91.213","0.005","90","","10275","5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C74 H60 N6 O12 P2 V3 -","- C74 H60 N6 O12 P2 V3 -","- C296 H240 N24 O48 P8 V12 -","4","0.5","","Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Chandrasekhar, Vadapalli","Di-, tri- and tetranuclear molecular vanadium phosphonates: a chloride encapsulated tetranuclear bowl.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10898","10909","10.1039/c4dt00720d","","","0.71069","MoKα","","0.1673","0.1179","","","0.3111","0.346","","","","","","1.056","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030974","17.454","0.003","17.454","0.003","45.618","0.003","90","","90","","120","","12035","3","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C71 H66 N6 O12 P2 V3 -","- C71 H66 N6 O12 P2 V3 -","- C426 H396 N36 O72 P12 V18 -","6","","","Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Chandrasekhar, Vadapalli","Di-, tri- and tetranuclear molecular vanadium phosphonates: a chloride encapsulated tetranuclear bowl.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10898","10909","10.1039/c4dt00720d","","","0.71069","MoKα","","0.09","0.0669","","","0.1823","0.1968","","","","","","1.055","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030975","16.502","0.005","32.938","0.005","39.238","0.005","90","","98.39","0.005","90","","21099","8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C106 H105 Cl N2 O20 P4 V4 -","- C106 H105 Cl N2 O20 P4 V4 -","- C848 H840 Cl8 N16 O160 P32 V32 -","8","2","","Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Chandrasekhar, Vadapalli","Di-, tri- and tetranuclear molecular vanadium phosphonates: a chloride encapsulated tetranuclear bowl.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10898","10909","10.1039/c4dt00720d","","","0.71069","MoKα","","0.1959","0.0949","","","0.2282","0.2796","","","","","","0.952","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7030976","7.733","0.0015","8.0126","0.0016","15.932","0.003","91.59","0.03","95.39","0.03","92.27","0.03","981.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Mn N2 O10 -","- C36 H52 Mn N2 O10 -","- C36 H52 Mn N2 O10 -","1","0.5","","Feng, Jie; Du, Xin; Liu, Hui; Sui, Xin; Zhang, Chen; Tang, Yun; Zhang, Jingyan","Manganese-mefenamic acid complexes exhibit high lipoxygenase inhibitory activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10930","10939","10.1039/c4dt01111b","","","0.71073","MoKα","","0.1185","0.0652","","","0.142","0.1628","","","","","","0.95","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030977","7.4254","0.0004","29.56","0.002","17.5819","0.0014","90","","90","","90","","3859.1","0.5","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C42 H44 Mn N4 O6 -","- C42 H44 Mn N4 O6 -","- C168 H176 Mn4 N16 O24 -","4","0.5","","Feng, Jie; Du, Xin; Liu, Hui; Sui, Xin; Zhang, Chen; Tang, Yun; Zhang, Jingyan","Manganese-mefenamic acid complexes exhibit high lipoxygenase inhibitory activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10930","10939","10.1039/c4dt01111b","","","0.71073","MoKα","","0.1188","0.0493","","","0.0913","0.1045","","","","","","0.875","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030978","9.548","0.004","12.224","0.005","15.873","0.007","96.746","0.007","96.434","0.008","97.868","0.008","1806.9","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Mn N4 O5 -","- C42 H38 Mn N4 O5 -","- C84 H76 Mn2 N8 O10 -","2","1","","Feng, Jie; Du, Xin; Liu, Hui; Sui, Xin; Zhang, Chen; Tang, Yun; Zhang, Jingyan","Manganese-mefenamic acid complexes exhibit high lipoxygenase inhibitory activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10930","10939","10.1039/c4dt01111b","","","0.71073","MoKα","","0.136","0.0534","","","0.0691","0.0789","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030979","9.5033","0.0002","15.4993","0.0004","28.4071","0.0007","90","","90","","90","","4184.21","0.17","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 B2 Bi Cl N14 S12 -","- C22 H26 B2 Bi Cl N14 S12 -","- C88 H104 B8 Bi4 Cl4 N56 S48 -","4","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Synthesis, structural and photo-physical studies of bismuth(iii) complexes with Janus scorpionate and co-ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10956","10968","10.1039/c4dt00668b","","","1.54178","CuKα","","0.015","0.0145","","","0.0359","0.0361","","","","","","1.004","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030980","12.203","0.0004","12.2363","0.0004","13.4489","0.0005","69.855","0.001","65.23","0.001","69.921","0.001","1664.57","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H46.5 B N7 O0.25 S6 -","- C25 H46 B N7 O0.249 S6 -","- C50 H92 B2 N14 O0.498 S12 -","2","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Synthesis, structural and photo-physical studies of bismuth(iii) complexes with Janus scorpionate and co-ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10956","10968","10.1039/c4dt00668b","","","1.54178","CuKα","","0.0257","0.0254","","","0.0678","0.0681","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030981","14.0818","0.0011","12.7834","0.0011","22.436","0.003","90","","97.836","0.009","90","","4001.1","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 B2 Bi N13 O4 S12 -","- C19 H24 B2 Bi N13 O4 S12 -","- C76 H96 B8 Bi4 N52 O16 S48 -","4","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Synthesis, structural and photo-physical studies of bismuth(iii) complexes with Janus scorpionate and co-ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10956","10968","10.1039/c4dt00668b","","","0.71073","MoKα","","0.0502","0.0307","","","0.0509","0.0557","","","","","","1.058","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030982","14.92021","0.00015","17.0867","0.00014","20.8514","0.0002","90","","107.728","0.0011","90","","5063.38","0.09","100.02","0.1","100.02","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C25 H35 B2 Bi I2 N15 Na O2 S12 -","- C25 H34.544 B2 Bi I2 N15 Na O2 S12 -","- C100 H138.176 B8 Bi4 I8 N60 Na4 O8 S48 -","4","0.5","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Synthesis, structural and photo-physical studies of bismuth(iii) complexes with Janus scorpionate and co-ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10956","10968","10.1039/c4dt00668b","","","0.7107","MoKα","","0.023","0.021","","","0.0489","0.0494","","","","","","1.211","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030983","8.98994","0.0002","11.7912","0.0003","15.1964","0.0004","93.4539","0.0019","99.5573","0.0019","99.4185","0.0018","1560.74","0.07","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H21 B Bi Cl2 N9 S6 -","- C21 H21 B Bi Cl2 N9 S6 -","- C42 H42 B2 Bi2 Cl4 N18 S12 -","2","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Synthesis, structural and photo-physical studies of bismuth(iii) complexes with Janus scorpionate and co-ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10956","10968","10.1039/c4dt00668b","","","0.7107","MoKα","","0.0219","0.0197","","","0.0406","0.0414","","","","","","1.024","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030984","9.3244","0.0002","15.4392","0.0004","16.1384","0.0004","116.528","0.0011","92.9132","0.0015","91.2053","0.0014","2073.53","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23.3 H20.3 B Bi Cl8.91 N8 S6 -","- C23.306 H20.306 B Bi Cl8.918 N8 S6 -","- C46.612 H40.612 B2 Bi2 Cl17.836 N16 S12 -","2","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Synthesis, structural and photo-physical studies of bismuth(iii) complexes with Janus scorpionate and co-ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10956","10968","10.1039/c4dt00668b","","","0.71073","MoKα","","0.0405","0.0314","","","0.0659","0.0693","","","","","","1.027","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030985","20.0305","0.0011","16.0601","0.0008","20.8994","0.001","90","","96.967","0.003","90","","6673.5","0.6","143","1","143","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 F30 K N3 O8 U -","- C60 H48 F30 K N3 O8 U -","- C240 H192 F120 K4 N12 O32 U4 -","4","1","","Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Uranyl-oxo coordination directed by non-covalent interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10844","10851","10.1039/c4dt00763h","","","0.71073","MoKα","","0.1525","0.0558","","","0.0982","0.1381","","","","","","1.09","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030986","34.3892","0.0016","15.702","0.0007","21.111","0.0009","90","","121.564","0.002","90","","9713","0.8","143","1","143","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H84 F20 K2 N4 O10 U -","- C80 H84 F20 K2 N4 O10 U -","- C320 H336 F80 K8 N16 O40 U4 -","4","0.5","","Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Uranyl-oxo coordination directed by non-covalent interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10844","10851","10.1039/c4dt00763h","","","0.71073","MoKα","","0.1042","0.0566","","","0.1546","0.1736","","","","","","0.982","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030987","16.6414","0.0017","19.756","0.002","34.283","0.003","90","","90","","90","","11271.1","1.9","143","1","143","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H44 F15 K N6 O6 U -","- C49 H44 F15 K N6 O6 U -","- C392 H352 F120 K8 N48 O48 U8 -","8","2","","Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Uranyl-oxo coordination directed by non-covalent interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10844","10851","10.1039/c4dt00763h","","","0.71073","MoKα","","0.09","0.079","","","0.1973","0.2029","","","","","","1.06","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030988","15.9136","0.0009","21.3308","0.0013","22.1833","0.0012","90","","110.36","0.003","90","","7059.7","0.7","143","1","143","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H48 F24 K2 N4 O2 U -","- C70 H48 F24 K2 N4 O2 U -","- C280 H192 F96 K8 N16 O8 U4 -","4","1","","Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Uranyl-oxo coordination directed by non-covalent interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10844","10851","10.1039/c4dt00763h","","","0.71073","MoKα","","0.0507","0.0309","","","0.0676","0.075","","","","","","1.088","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7030989","14.2737","0.0004","22.2064","0.0007","32.918","0.001","90","","95.921","0.002","90","","10378.3","0.5","143","1","143","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H100 F24 K2 N4 O18 U -","- C88 H100 F24 K2 N4 O18 U -","- C352 H400 F96 K8 N16 O72 U4 -","4","1","","Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Uranyl-oxo coordination directed by non-covalent interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10844","10851","10.1039/c4dt00763h","","","0.71073","MoKα","","0.1237","0.0676","","","0.1636","0.1822","","","","","","1.029","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030990","27.2057","0.0004","24.9559","0.0001","9.3707","0.0002","90","","91.032","0.001","90","","6361.14","0.17","87","2","87","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N8 O4 -","- C27 H30 N8 O4 -","- C216 H240 N64 O32 -","8","2","","Burgess, Michael G.; Naveed Zafar, M.; Horner, Stephen T.; Clark, George R.; James Wright, L.","Controlled translocation of palladium(ii) within a 22 ring atom macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17006","17016","10.1039/c4dt00765d","","","0.71073","MoKα","","0.1138","0.0679","","","0.166","0.1832","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030991","12.2234","0.0004","15.7777","0.0006","19.3023","0.0007","90","","102.824","0.001","90","","3629.7","0.2","87","2","87","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 N10 O6 Pd -","- C36 H46 N10 O6 Pd -","- C144 H184 N40 O24 Pd4 -","4","1","","Burgess, Michael G.; Naveed Zafar, M.; Horner, Stephen T.; Clark, George R.; James Wright, L.","Controlled translocation of palladium(ii) within a 22 ring atom macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17006","17016","10.1039/c4dt00765d","","","0.71073","MoKα","","0.1276","0.0642","","","0.1337","0.1569","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030992","15.993","0.0002","8.5772","0.0001","23.3577","0.0002","90","","105.163","0.001","90","","3092.55","0.06","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 Cl N8 O6 Pd -","- C31 H37 Cl N8 O6 Pd -","- C124 H148 Cl4 N32 O24 Pd4 -","4","1","","Burgess, Michael G.; Naveed Zafar, M.; Horner, Stephen T.; Clark, George R.; James Wright, L.","Controlled translocation of palladium(ii) within a 22 ring atom macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17006","17016","10.1039/c4dt00765d","","","0.71073","MoKα","","0.0741","0.0519","","","0.1202","0.1305","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030993","7.5642","0.0002","11.5133","0.0003","16.9769","0.0005","90.122","0.001","98.335","0.001","93.252","0.001","1460.45","0.07","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 Cl2 N8 O5 Pd -","- C28 H32 Cl2 N8 O5 Pd -","- C56 H64 Cl4 N16 O10 Pd2 -","2","1","","Burgess, Michael G.; Naveed Zafar, M.; Horner, Stephen T.; Clark, George R.; James Wright, L.","Controlled translocation of palladium(ii) within a 22 ring atom macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17006","17016","10.1039/c4dt00765d","","","0.71073","MoKα","","0.0754","0.0563","","","0.1279","0.1388","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030994","8.7384","0.0003","16.7458","0.0006","18.9805","0.0007","90","","96.163","0.002","90","","2761.39","0.17","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 B N -","- C16 H16 B N -","- C128 H128 B8 N8 -","8","2","","Adler Yañez, Raúl A; Kehr, Gerald; Daniliuc, Constantin G.; Schirmer, Birgitta; Erker, Gerhard","Formation of a dihydroborole by catalytic isomerization of a divinylborane.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10794","10800","10.1039/c4dt01423e","","","1.54178","CuKα","","0.0578","0.0424","","","0.1069","0.1184","","","","","","1.037","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030995","19.6734","0.0004","6.227","0.0002","31.1173","0.0008","90","","94.093","0.002","90","","3802.34","0.17","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H18 B3 F20 N -","- C40 H18 B3 F20 N -","- C160 H72 B12 F80 N4 -","4","1","","Adler Yañez, Raúl A; Kehr, Gerald; Daniliuc, Constantin G.; Schirmer, Birgitta; Erker, Gerhard","Formation of a dihydroborole by catalytic isomerization of a divinylborane.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10794","10800","10.1039/c4dt01423e","","","0.71073","MoKα","","0.1299","0.0753","","","0.124","0.1494","","","","","","1.095","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030996","10.064","0.0004","12.539","0.0005","14.457","0.0006","95.573","0.002","101.176","0.002","104.13","0.002","1715.5","0.12","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 B2 F10 N2 -","- C36 H35 B2 F10 N2 -","- C72 H70 B4 F20 N4 -","2","1","","Adler Yañez, Raúl A; Kehr, Gerald; Daniliuc, Constantin G.; Schirmer, Birgitta; Erker, Gerhard","Formation of a dihydroborole by catalytic isomerization of a divinylborane.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10794","10800","10.1039/c4dt01423e","","","1.54178","CuKα","","0.0419","0.0394","","","0.101","0.1032","","","","","","1.034","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030997","7.5636","0.0002","11.1442","0.0005","11.352","0.0006","117.035","0.003","93.834","0.003","95.053","0.002","842.81","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H7 B F10 O -","- C19 H7 B F10 O -","- C38 H14 B2 F20 O2 -","2","1","","Adler Yañez, Raúl A; Kehr, Gerald; Daniliuc, Constantin G.; Schirmer, Birgitta; Erker, Gerhard","Formation of a dihydroborole by catalytic isomerization of a divinylborane.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10794","10800","10.1039/c4dt01423e","","","1.54178","CuKα","","0.0382","0.0371","","","0.0984","0.0997","","","","","","1.037","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030998","10.737","0.006","8.327","0.005","16.382","0.009","90","","94.588","0.01","90","","1460","1.4","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C68 H52 N12 O8 -","4","1","","Ramya, A. R.; Varughese, Sunil; Reddy, M. L. P.","Tunable white-light emission from mixed lanthanide (Eu(3+), Gd(3+), Tb(3+)) coordination polymers derived from 4-(dipyridin-2-yl)aminobenzoate.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10940","10946","10.1039/c4dt00871e","","","0.71073","MoKα","","0.086","0.0534","","","0.136","0.1523","","","","","","1.043","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030999","30.229","0.008","14.919","0.003","10.217","0.003","90","","102.947","0.003","90","","4491","2","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H40 Gd N9 O8 -","- C51 H40 Gd N9 O8 -","- C204 H160 Gd4 N36 O32 -","4","0.5","","Ramya, A. R.; Varughese, Sunil; Reddy, M. L. P.","Tunable white-light emission from mixed lanthanide (Eu(3+), Gd(3+), Tb(3+)) coordination polymers derived from 4-(dipyridin-2-yl)aminobenzoate.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10940","10946","10.1039/c4dt00871e","","","0.71073","MoKα","","0.0403","0.0282","","","0.0651","0.0709","","","","","","1.02","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7031000","9.4084","0.0005","17.0945","0.0009","8.185","0.0004","90","","93.862","0.002","90","","1313.42","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 Gd N O7 -","- C9 H16 Gd N O7 -","- C36 H64 Gd4 N4 O28 -","4","1","","Roubeau, O.; Lorusso, G.; Teat, S. J.; Evangelisti, M.","Cryogenic magneto-caloric effect and magneto-structural correlations in carboxylate-bridged Gd(iii) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11502","11509","10.1039/c4dt00697f","","","0.71073","MoKα","","0.0178","0.0167","","","0.0397","0.0405","","","","","","1.091","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031001","6.2169","0.0004","10.5404","0.0006","25.9134","0.0015","90","","92.92","0.001","90","","1695.86","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H25 Gd O11 -","- C12 H25 Gd O11 -","- C48 H100 Gd4 O44 -","4","1","","Roubeau, O.; Lorusso, G.; Teat, S. J.; Evangelisti, M.","Cryogenic magneto-caloric effect and magneto-structural correlations in carboxylate-bridged Gd(iii) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11502","11509","10.1039/c4dt00697f","","","0.7749","synchrotron","","0.0449","0.0331","","","0.072","0.0761","","","","","","1.055","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031002","11.3267","0.001","22.611","0.002","10.5693","0.0008","90","","115.899","0.01","90","","2435","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Ba Dy2 O30 -","- C40 H36 Ba Dy2 O30 -","- C80 H72 Ba2 Dy4 O60 -","2","0.5","","Bartolomé, E; Bartolomé, J; Melnic, S.; Prodius, D.; Shova, S.; Arauzo, A.; Luzón, J; Badía-Romano, L; Luis, F.; Turta, C.","Magnetic relaxation versus 3D long-range ordering in {Dy2Ba(α-fur)8}n furoate polymers.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10999","11013","10.1039/c4dt00538d","","","0.71073","MoKα","","0.048","0.0368","","","0.0745","0.0768","","","","","","1.051","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031003","14.924","0.003","21.749","0.004","25.646","0.005","90","","90","","90","","8324","3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H144 Cr Mo6 N3 O37 -","- C52.6 H116.5 Cr Mo6 N3 O37 -","- C210.4 H466 Cr4 Mo24 N12 O148 -","4","1","","Lin, Chang-Gen; Chen, Wei; Long, De-Liang; Cronin, Leroy; Song, Yu-Fei","Step-by-step covalent modification of Cr-templated Anderson-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8587","8590","10.1039/c4dt00033a","","","0.71073","MoKα","","0.0413","0.0396","","","0.0899","0.091","","","","","","1.066","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031004","15.164","0.003","21.818","0.004","25.095","0.005","90","","90","","90","","8303","3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H142 Cr Mo6 N3 O35 -","- C52.2 H117 Cr Mo6 N3 O35 -","- C208.8 H468 Cr4 Mo24 N12 O140 -","4","1","","Lin, Chang-Gen; Chen, Wei; Long, De-Liang; Cronin, Leroy; Song, Yu-Fei","Step-by-step covalent modification of Cr-templated Anderson-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8587","8590","10.1039/c4dt00033a","","","0.71073","MoKα","","0.0415","0.0403","","","0.097","0.0979","","","","","","1.083","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031005","25.2904","0.0016","13.7087","0.0009","24.6841","0.0016","90","","90.966","0.004","90","","8556.7","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H140 Cr Mo6 N5 O28 -","- C63.4 H131.67 Cr Mo6 N5 O28 -","- C253.6 H526.68 Cr4 Mo24 N20 O112 -","4","1","","Lin, Chang-Gen; Chen, Wei; Long, De-Liang; Cronin, Leroy; Song, Yu-Fei","Step-by-step covalent modification of Cr-templated Anderson-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8587","8590","10.1039/c4dt00033a","","","0.71073","MoKα","","0.109","0.0814","","","0.2072","0.23","","","","","","1.055","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031006","7.897","0.0002","9.7655","0.0003","11.4184","0.0004","73.57","0.002","70.964","0.002","77.267","0.002","790.41","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis(mu-chloro)2-bis(bis(2- hydroxymethylpyridine)manganese(ii)) dichloride dihydrate","Bis(mu-chloro)2-bis(bis(2-hydroxymethylpyridine)manganese(II)) dichloride dihydrate","","- C24 H32 Cl4 Mn2 N4 O6 -","- C24 H32 Cl4 Mn2 N4 O6 -","- C24 H32 Cl4 Mn2 N4 O6 -","1","0.5","","Zienkiewicz, M.; Jabłońska-Wawrzycka, A; Szlachetko, J.; Kayser, Y.; Stadnicka, K.; Sawka-Dobrowolska, W; Jezierska, J.; Barszcz, B.; Sá, J","Effective catalytic disproportionation of aqueous H2O2 with di- and mono-nuclear manganese(ii) complexes containing pyridine alcohol ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8599","8608","10.1039/c3dt53288g","","","0.71073","MoKα","","0.0356","0.027","","","0.0695","0.0736","","","","","","0.875","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031007","8.778","0.001","14.298","0.002","7.8482","0.001","90","","112.71","0.01","90","","908.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C14 H18 N2 O2 Mn N2 C2 S2","bis(2-hydroxyethylpyridine)bis(N-thiocyanato)manganese(II)","","- C16 H18 Mn N4 O2 S2 -","- C16 H18 Mn N4 O2 S2 -","- C32 H36 Mn2 N8 O4 S4 -","2","0.5","","Zienkiewicz, M.; Jabłońska-Wawrzycka, A; Szlachetko, J.; Kayser, Y.; Stadnicka, K.; Sawka-Dobrowolska, W; Jezierska, J.; Barszcz, B.; Sá, J","Effective catalytic disproportionation of aqueous H2O2 with di- and mono-nuclear manganese(ii) complexes containing pyridine alcohol ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8599","8608","10.1039/c3dt53288g","","","0.71073","MoKα","","0.0553","0.0386","","","0.0921","0.0967","","","","","","0.936","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031008","10.4251","0.0007","22.1496","0.0014","12.9548","0.0008","90","","97.561","0.001","90","","2965.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 Cu2 I2 N5 O2 P2 -","- C22 H33 Cu2 I2 N5 O2 P2 -","- C88 H132 Cu8 I8 N20 O8 P8 -","4","1","","Balakrishna, Maravanji Shivaramaiah; Rashid, Aijaz; Ananthnag, Guddekoppa S.; Naik, Susmita; Mague, Joel T.; Panda, Dulal","Dinuclear copper(I) complexes containing pyridyl-appended diazadiphosphetidines and aminobis(diphosphonite) ligands: Synthesis, structural studies and antiproliferative activity towards human cervical, human colon carcinoma and breast cancer cells","Dalton Transactions","2014","","","","","10.1039/c4dt00832d","","","0.71073","MoKα","","0.0285","0.0221","","","0.0465","0.0489","","","","","","1.069","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031009","10.918","0.0009","23.2001","0.0018","24.1557","0.0019","65.123","0.001","81.611","0.001","86.293","0.001","5491.5","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H57 Cu2 I2 N3 O8 P2 -","- C56 H57 Cu2 I2 N3 O8 P2 -","- C224 H228 Cu8 I8 N12 O32 P8 -","4","2","","Balakrishna, Maravanji Shivaramaiah; Rashid, Aijaz; Ananthnag, Guddekoppa S.; Naik, Susmita; Mague, Joel T.; Panda, Dulal","Dinuclear copper(I) complexes containing pyridyl-appended diazadiphosphetidines and aminobis(diphosphonite) ligands: Synthesis, structural studies and antiproliferative activity towards human cervical, human colon carcinoma and breast cancer cells","Dalton Transactions","2014","","","","","10.1039/c4dt00832d","","","0.71073","MoKα","","0.0716","0.0433","","","0.0911","0.1063","","","","","","1.028","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031010","12.4841","0.0003","17.0323","0.0004","27.1967","0.0007","90","","94.464","0.002","90","","5765.4","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 Cu2 I2 N4 O8 P2 -","- C60 H60 Cu2 I2 N4 O8 P2 -","- C240 H240 Cu8 I8 N16 O32 P8 -","4","1","","Balakrishna, Maravanji Shivaramaiah; Rashid, Aijaz; Ananthnag, Guddekoppa S.; Naik, Susmita; Mague, Joel T.; Panda, Dulal","Dinuclear copper(I) complexes containing pyridyl-appended diazadiphosphetidines and aminobis(diphosphonite) ligands: Synthesis, structural studies and antiproliferative activity towards human cervical, human colon carcinoma and breast cancer cells","Dalton Transactions","2014","","","","","10.1039/c4dt00832d","","","0.71073","MoKα","","0.0461","0.0339","","","0.0761","0.0826","","","","","","0.984","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031011","12.5855","0.0006","11.0905","0.0006","15.626","0.0008","90","","107.891","0.001","90","","2075.6","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Br Mn N4 O3 -","- C21 H18 Br Mn N4 O3 -","- C84 H72 Br4 Mn4 N16 O12 -","4","1","","Nagel, Christoph; McLean, Samantha; Poole, Robert K.; Braunschweig, Holger; Kramer, Thomas; Schatzschneider, Ulrich","Introducing [Mn(CO)3(tpa-κ(3)N)](+) as a novel photoactivatable CO-releasing molecule with well-defined iCORM intermediates - synthesis, spectroscopy, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9986","9997","10.1039/c3dt51848e","","","0.71073","MoKα","","0.028","0.0244","","","0.0653","0.0681","","","","","","1.03","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031012","11.967","0.006","13.361","0.007","15.789","0.007","90","","90","","90","","2525","2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 F12 N4 O2 P2 Ru -","- C20 H18 F12 N4 O2 P2 Ru -","- C80 H72 F48 N16 O8 P8 Ru4 -","4","1","","Nagel, Christoph; McLean, Samantha; Poole, Robert K.; Braunschweig, Holger; Kramer, Thomas; Schatzschneider, Ulrich","Introducing [Mn(CO)3(tpa-κ(3)N)](+) as a novel photoactivatable CO-releasing molecule with well-defined iCORM intermediates - synthesis, spectroscopy, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9986","9997","10.1039/c3dt51848e","","","0.71073","MoKα","","0.0948","0.0603","","","0.1327","0.1497","","","","","","1.054","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031013","13.4531","0.0005","16.6254","0.0005","14.7792","0.0005","90","","110.7","0.004","90","","3092.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Ge N2 -","- C34 H46 Ge N2 -","- C136 H184 Ge4 N8 -","4","1","","Li, Bin; Li, Yan; Zhao, Na; Chen, Yuefei; Chen, Yujue; Fu, Gang; Zhu, Hongping; Ding, Yuqiang","Synthesis, structure and a nucleophilic coordination reaction of Germanetellurones.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12100","12108","10.1039/c4dt00937a","","","0.71073","MoKα","","0.0391","0.0309","","","0.0727","0.0755","","","","","","1.027","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031014","14.148","0.003","17.098","0.003","17.556","0.004","107.85","0.03","110.2","0.03","97.91","0.03","3650.2","1.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H100 Fe2 Ge2 N4 -","- C82 H100 Fe2 Ge2 N4 -","- C164 H200 Fe4 Ge4 N8 -","2","1","","Li, Bin; Li, Yan; Zhao, Na; Chen, Yuefei; Chen, Yujue; Fu, Gang; Zhu, Hongping; Ding, Yuqiang","Synthesis, structure and a nucleophilic coordination reaction of Germanetellurones.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12100","12108","10.1039/c4dt00937a","","","0.71073","MoKα","","0.0654","0.0375","","","0.0821","0.1029","","","","","","1.095","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031015","16.739","0.003","9.7212","0.0019","20.247","0.004","90","","90","","90","","3294.7","1.1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H46 Ge N2 Te -","- C34 H46 Ge N2 Te -","- C136 H184 Ge4 N8 Te4 -","4","1","","Li, Bin; Li, Yan; Zhao, Na; Chen, Yuefei; Chen, Yujue; Fu, Gang; Zhu, Hongping; Ding, Yuqiang","Synthesis, structure and a nucleophilic coordination reaction of Germanetellurones.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12100","12108","10.1039/c4dt00937a","","","0.71073","MoKα","","0.0528","0.0404","","","0.0982","0.1049","","","","","","1.047","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031016","12.884","0.0005","18.479","0.0013","31.6633","0.0014","90","","90.677","0.004","90","","7538","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H100 Fe2 Ge2 N4 Te2 -","- C82 H100 Fe2 Ge2 N4 Te2 -","- C328 H400 Fe8 Ge8 N16 Te8 -","4","1","","Li, Bin; Li, Yan; Zhao, Na; Chen, Yuefei; Chen, Yujue; Fu, Gang; Zhu, Hongping; Ding, Yuqiang","Synthesis, structure and a nucleophilic coordination reaction of Germanetellurones.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12100","12108","10.1039/c4dt00937a","","","0.71073","MoKα","","0.1233","0.0657","","","0.0831","0.0972","","","","","","0.999","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031017","12.9507","0.0008","18.5924","0.001","17.3739","0.0009","90","","102.03","0.005","90","","4091.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H53 Ge N2 Te -","- C40 H53 Ge N2 Te -","- C160 H212 Ge4 N8 Te4 -","4","1","","Li, Bin; Li, Yan; Zhao, Na; Chen, Yuefei; Chen, Yujue; Fu, Gang; Zhu, Hongping; Ding, Yuqiang","Synthesis, structure and a nucleophilic coordination reaction of Germanetellurones.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12100","12108","10.1039/c4dt00937a","","","0.71073","MoKα","","0.1016","0.0604","","","0.1272","0.1423","","","","","","0.99","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031018","9.7181","0.0007","18.7331","0.0013","19.6618","0.0012","90","","90.562","0.006","90","","3579.3","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Cl2 Ge2 N2 Te -","- C34 H46 Cl2 Ge2 N2 Te -","- C136 H184 Cl8 Ge8 N8 Te4 -","4","1","","Li, Bin; Li, Yan; Zhao, Na; Chen, Yuefei; Chen, Yujue; Fu, Gang; Zhu, Hongping; Ding, Yuqiang","Synthesis, structure and a nucleophilic coordination reaction of Germanetellurones.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12100","12108","10.1039/c4dt00937a","","","0.71073","MoKα","","0.1561","0.0798","","","0.1018","0.1195","","","","","","0.999","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031019","10.1603","0.0004","12.8671","0.0007","15.0468","0.0009","66.571","0.005","74.778","0.004","84.434","0.004","1741.55","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H44 Au F5 Ge N2 S -","- C36 H44 Au F5 Ge N2 S -","- C72 H88 Au2 F10 Ge2 N4 S2 -","2","1","","Li, Bin; Li, Yan; Zhao, Na; Chen, Yuefei; Chen, Yujue; Fu, Gang; Zhu, Hongping; Ding, Yuqiang","Synthesis, structure and a nucleophilic coordination reaction of Germanetellurones.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12100","12108","10.1039/c4dt00937a","","","0.71073","MoKα","","0.0799","0.0574","","","0.1016","0.1099","","","","","","1.01","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031020","10.224","0.002","12.966","0.003","15.085","0.003","66.54","0.03","74.75","0.03","84.32","0.03","1769.8","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H44 Au F5 Ge N2 Se -","- C36 H44 Au F5 Ge N2 Se -","- C72 H88 Au2 F10 Ge2 N4 Se2 -","2","1","","Li, Bin; Li, Yan; Zhao, Na; Chen, Yuefei; Chen, Yujue; Fu, Gang; Zhu, Hongping; Ding, Yuqiang","Synthesis, structure and a nucleophilic coordination reaction of Germanetellurones.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12100","12108","10.1039/c4dt00937a","","","0.71073","MoKα","","0.1803","0.1095","","","0.2437","0.3055","","","","","","1.054","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031021","7.585","0.0015","9.358","0.0019","13.408","0.003","99.77","0.03","94.79","0.03","108.62","0.03","879.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cl2 N4 O Zn -","- C15 H16 Cl2 N4 O Zn -","- C30 H32 Cl4 N8 O2 Zn2 -","2","1","","Wei, Liguo; Yang, Yulin; Fan, Ruiqing; Na, Yong; Wang, Ping; Dong, Yuwei; Yang, Bin; Cao, Wenwu","N,N'-Bis((6-methoxylpyridin-2-yl)methylene)-p-phenylenediimine based d(10) transition metal complexes and their utilization in co-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11361","11370","10.1039/c4dt00437j","","","0.71073","MoKα","","0.097","0.0515","","","0.1399","0.1725","","","","","","0.941","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031022","7.577","0.0015","9.395","0.0019","13.63","0.003","99.83","0.03","95.31","0.03","108.01","0.03","898.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cl2 Hg N4 O -","- C15 H16 Cl2 Hg N4 O -","- C30 H32 Cl4 Hg2 N8 O2 -","2","1","","Wei, Liguo; Yang, Yulin; Fan, Ruiqing; Na, Yong; Wang, Ping; Dong, Yuwei; Yang, Bin; Cao, Wenwu","N,N'-Bis((6-methoxylpyridin-2-yl)methylene)-p-phenylenediimine based d(10) transition metal complexes and their utilization in co-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11361","11370","10.1039/c4dt00437j","","","0.71073","MoKα","","0.0866","0.0505","","","0.1367","0.1666","","","","","","0.963","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031023","39.8049","0.0017","39.8049","0.0017","37.7169","0.0016","90","","90","","90","","59760","4","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C204 H252 Mn12 N24 O77 -","- C204 H252 Mn12 N24 O77 -","- C1632 H2016 Mn96 N192 O616 -","8","","","Frost, J. M.; Sanz, S.; Rajeshkumar, T.; Pitak, M. B.; Coles, S. J.; Rajaraman, G.; Wernsdorfer, W.; Schnack, J.; Lusby, P. J.; Brechin, E. K.","A truncated [Mn(III)12] tetrahedron from oxime-based [Mn(III)3O] building blocks.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10690","10694","10.1039/c4dt01469c","","","0.71075","MoKα","","0.1538","0.085","","","0.2281","0.2596","","","","","","0.925","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031024","15.414","0.003","6.718","0.0013","14.322","0.003","90","","90","","90","","1483.1","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H8 Ce N2 Na O12 -","- C8 H8 Ce N2 Na O12 -","- C32 H32 Ce4 N8 Na4 O48 -","4","0.5","","zhang, fengming; Yan, Pengfei; Li, Hongfeng; zou, xiaoyan; Hou, Guangfeng; li, guangming","Towards full-color-tunable emission of two component Eu(III)-doped Gd(III) coordination frameworks by variation of excitation light","Dalton Transactions","2014","","","","","10.1039/c4dt00837e","","","0.71073","MoKα","","0.0749","0.0693","","","0.1897","0.1954","","","","","","1.074","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031025","15.569","0.003","6.8533","0.0013","14.397","0.003","90","","90","","90","","1536.1","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H8 N2 Na O12 Sm -","- C8 H8 N2 Na O12 Sm -","- C32 H32 N8 Na4 O48 Sm4 -","4","0.5","","zhang, fengming; Yan, Pengfei; Li, Hongfeng; zou, xiaoyan; Hou, Guangfeng; li, guangming","Towards full-color-tunable emission of two component Eu(III)-doped Gd(III) coordination frameworks by variation of excitation light","Dalton Transactions","2014","","","","","10.1039/c4dt00837e","","","0.71073","MoKα","","0.0707","0.0653","","","0.178","0.1819","","","","","","1.119","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031026","15.306","0.003","6.726","0.0013","14.386","0.003","90","","90","","90","","1481","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H8 Eu N2 Na O12 -","- C8 H8 Eu N2 Na O12 -","- C32 H32 Eu4 N8 Na4 O48 -","4","0.5","","zhang, fengming; Yan, Pengfei; Li, Hongfeng; zou, xiaoyan; Hou, Guangfeng; li, guangming","Towards full-color-tunable emission of two component Eu(III)-doped Gd(III) coordination frameworks by variation of excitation light","Dalton Transactions","2014","","","","","10.1039/c4dt00837e","","","0.71073","MoKα","","0.0809","0.0695","","","0.1746","0.1856","","","","","","0.98","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031027","15.251","0.003","6.699","0.0013","14.382","0.003","90","","90","","90","","1469.4","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H8 Gd N2 Na O12 -","- C8 H8 Gd N2 Na O12 -","- C32 H32 Gd4 N8 Na4 O48 -","4","0.5","","zhang, fengming; Yan, Pengfei; Li, Hongfeng; zou, xiaoyan; Hou, Guangfeng; li, guangming","Towards full-color-tunable emission of two component Eu(III)-doped Gd(III) coordination frameworks by variation of excitation light","Dalton Transactions","2014","","","","","10.1039/c4dt00837e","","","0.71073","MoKα","","0.0922","0.0812","","","0.2114","0.2219","","","","","","1.091","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031028","15.147","0.003","6.6763","0.0013","14.375","0.003","90","","90","","90","","1453.7","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H8 N2 Na O12 Tb -","- C8 H8 N2 Na O12 Tb -","- C32 H32 N8 Na4 O48 Tb4 -","4","0.5","","zhang, fengming; Yan, Pengfei; Li, Hongfeng; zou, xiaoyan; Hou, Guangfeng; li, guangming","Towards full-color-tunable emission of two component Eu(III)-doped Gd(III) coordination frameworks by variation of excitation light","Dalton Transactions","2014","","","","","10.1039/c4dt00837e","","","0.71073","MoKα","","0.0774","0.07","","","0.1721","0.1786","","","","","","1.074","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031029","9.4748","0.0003","13.1587","0.0003","12.2363","0.0004","90","","90.169","0.003","90","","1525.57","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 N4 Ni O9 -","- C10 H18 N4 Ni O9 -","- C40 H72 N16 Ni4 O36 -","4","1","","Gómez-García, C J; Escrivà, E; Mínguez Espallargas, G; Borrás-Almenar, J J; Soto, L.; Sancho, A.; García-Lozano, J; Ramírez de Arellano, C","A rare example of nickel(ii) chains based on a heteroscorpionate-like ligand with quadruple imidazolyl interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11371","11375","10.1039/c4dt01099j","","","0.71073","MoKα","","0.0322","0.0269","","","0.0632","0.067","","","","","","1.055","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7031030","9.066","0.001","9.457","0.001","14.172","0.002","90","","104.23","0.01","90","","1177.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Dauer, David-R; Stalke, Dietmar","Heterocyclic substituted methanides as promising alternatives to the ubiquitous nacnac ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14432","14439","10.1039/c4dt01008f","","","0.71073","MoKα","","0.0459","0.039","","","0.0978","0.1014","","","","","","1.049","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031031","25.412","0.003","4.536","0.001","11.165","0.002","90","","102.76","0.02","90","","1255.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 N2 S2 -","- C15 H10 N2 S2 -","- C60 H40 N8 S8 -","4","0.5","","Dauer, David-R; Stalke, Dietmar","Heterocyclic substituted methanides as promising alternatives to the ubiquitous nacnac ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14432","14439","10.1039/c4dt01008f","","","0.71073","MoKα","","0.0249","0.0245","","","0.0631","0.0634","","","","","","1.091","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031032","7.998","0.002","8.336","0.002","13.294","0.003","93.54","0.02","103.31","0.02","117.86","0.03","747.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Al N2 O2 -","- C17 H15 Al N2 O2 -","- C34 H30 Al2 N4 O4 -","2","1","","Dauer, David-R; Stalke, Dietmar","Heterocyclic substituted methanides as promising alternatives to the ubiquitous nacnac ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14432","14439","10.1039/c4dt01008f","","","0.71073","MoKα","","0.0676","0.0447","","","0.1071","0.1181","","","","","","1.025","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031033","7.126","0.001","7.696","0.001","14.73","0.002","90.5","0.01","93.12","0.01","93.44","0.02","805.11","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Al N2 S2 -","- C17 H15 Al N2 S2 -","- C34 H30 Al2 N4 S4 -","2","1","","Dauer, David-R; Stalke, Dietmar","Heterocyclic substituted methanides as promising alternatives to the ubiquitous nacnac ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14432","14439","10.1039/c4dt01008f","","","0.71073","MoKα","","0.0354","0.032","","","0.0867","0.0897","","","","","","1.034","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031034","21.226","0.003","15.558","0.002","14.163","0.002","90","","112.76","0.02","90","","4312.9","1.2","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C15.67 H12.67 Al0.83 Cl0.83 N1.67 O1.67 -","- C15.6667 H12.6667 Al0.75 Cl0.833333 N1.66667 O1.66667 -","- C188 H152 Al9 Cl10 N20 O20 -","12","1.5","","Dauer, David-R; Stalke, Dietmar","Heterocyclic substituted methanides as promising alternatives to the ubiquitous nacnac ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14432","14439","10.1039/c4dt01008f","","","0.71073","MoKα","","0.0464","0.0414","","","0.1003","0.1025","","","","","","1.118","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031035","7.074","0.002","7.694","0.002","14.664","0.003","89.97","0.02","85.29","0.02","85.89","0.02","793.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Al Cl N2 S2 -","- C16 H12 Al Cl N2 S2 -","- C32 H24 Al2 Cl2 N4 S4 -","2","1","","Dauer, David-R; Stalke, Dietmar","Heterocyclic substituted methanides as promising alternatives to the ubiquitous nacnac ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14432","14439","10.1039/c4dt01008f","","","0.71073","MoKα","","0.0453","0.0348","","","0.0761","0.0801","","","","","","1.054","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031036","8.386","0.002","13.944","0.003","13.838","0.003","90","","107.6","0.02","90","","1542.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 Ga N2 O2 -","- C17 H15 Ga N2 O2 -","- C68 H60 Ga4 N8 O8 -","4","2","","Dauer, David-R; Stalke, Dietmar","Heterocyclic substituted methanides as promising alternatives to the ubiquitous nacnac ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14432","14439","10.1039/c4dt01008f","","","0.71073","MoKα","","0.0353","0.0339","","","0.0789","0.0798","","","","","","1.026","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031037","15.446","0.003","15.177","0.003","6.929","0.002","90","","90","","90","","1624.3","0.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H15 Ga N2 S2 -","- C17 H15 Ga N2 S2 -","- C68 H60 Ga4 N8 S8 -","4","0.5","","Dauer, David-R; Stalke, Dietmar","Heterocyclic substituted methanides as promising alternatives to the ubiquitous nacnac ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14432","14439","10.1039/c4dt01008f","","","0.56086","AgKα","","0.0265","0.0251","","","0.0596","0.0602","","","","","","1.268","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031038","31.997","0.003","8.907","0.001","15.673","0.002","90","","117.53","0.01","90","","3961","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N3 O3 -","- C25 H19 N3 O3 -","- C200 H152 N24 O24 -","8","1","","Dauer, David-R; Stalke, Dietmar","Heterocyclic substituted methanides as promising alternatives to the ubiquitous nacnac ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14432","14439","10.1039/c4dt01008f","","","0.71073","MoKα","","0.0429","0.0347","","","0.0839","0.0891","","","","","","1.043","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031039","8.1418","0.0008","8.9239","0.0009","13.7644","0.0013","73.404","0.003","79.141","0.003","75.735","0.003","921.33","0.16","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Cl3 O2 S4 Zn -","- C13 H11 Cl3 O2 S4 Zn -","- C26 H22 Cl6 O4 S8 Zn2 -","2","1","","Bruner, Britain; Walker, Malin Backlund; Ghimire, Mukunda M.; Zhang, Dong; Selke, Matthias; Klausmeyer, Kevin K.; Omary, Mohammad A.; Farmer, Patrick J.","Ligand-based photooxidations of dithiomaltolato complexes of Ru(ii) and Zn(ii): photolytic CH activation and evidence of singlet oxygen generation and quenching.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11548","11556","10.1039/c4dt00961d","","","0.71073","MoKα","","0.0486","0.0383","","","0.0993","0.1199","","","","","","1.091","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031040","10.2436","0.0003","10.6985","0.0002","12.3052","0.0003","76.3104","0.0014","81.3365","0.0012","76.8533","0.0015","1269.2","0.05","160","1","160","1","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 N4 -","- C32 H30 N4 -","- C64 H60 N8 -","2","1","","Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11027","11038","10.1039/c4dt01460j","","","0.71073","MoKα","","0.0837","0.0527","","","0.124","0.145","","","","","","1.033","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031041","10.1555","0.0002","12.3482","0.0003","10.4107","0.0002","90","","98.7439","0.0014","90","","1290.35","0.05","160","1","160","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H28 N6 -","- C30 H28 N6 -","- C60 H56 N12 -","2","1","","Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11027","11038","10.1039/c4dt01460j","","","0.71073","MoKα","","0.043","0.0375","","","0.0902","0.0941","","","","","","1.066","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031042","16.67987","0.00011","16.67987","0.00011","15.01274","0.00017","90","","90","","90","","4176.82","0.06","160","1","160","1","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C31 H32 N4.67 S2 -","- C28 H26 N4 S2 -","- C168 H156 N24 S12 -","6","0.75","","Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11027","11038","10.1039/c4dt01460j","","","0.71073","MoKα","","0.09","0.068","","","0.2111","0.2199","","","","","","1.088","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031043","12.4516","0.0004","23.6077","0.0008","42.9503","0.0015","99.344","0.0009","94.2548","0.001","94.4011","0.001","12372.9","0.7","160","1","160","1","","","","","","","","7","P -1","-P 1","2","","","","- C120 H116.33 Cu4 F24 N24 O2.17 P4 -","- C120 H112 Cu4 F24 N24 O2.165 P4 -","- C480 H448 Cu16 F96 N96 O8.66 P16 -","4","2","","Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11027","11038","10.1039/c4dt01460j","","","0.71073","MoKα","","0.1566","0.0791","","","0.1473","0.1762","","","","","","1.077","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7031044","23.9121","0.0004","32.291","0.0005","38.8831","0.0006","90","","90","","90","","30023.4","0.8","160","1","160","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C152 H168 Cu4 F24 N16 O8 P4 -","- C128 H120 Cu4 F24 N16 P4 -","- C1024 H960 Cu32 F192 N128 P32 -","8","1","","Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11027","11038","10.1039/c4dt01460j","","","0.71073","MoKα","","0.1236","0.0874","","","0.244","0.2635","","","","","","1.06","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7031045","14.8533","0.0002","42.4657","0.0004","23.1133","0.0003","90","","95.2051","0.0013","90","","14518.7","0.3","160","1","160","1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C120 H118 Cl6 Cu4 F24 N16 O2 P4 S8 -","- C112 H104 Cu4 F24 N16 P4 S8 -","- C448 H416 Cu16 F96 N64 P16 S32 -","4","0.5","","Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11027","11038","10.1039/c4dt01460j","","","0.71073","MoKα","","0.1365","0.0987","","","0.2934","0.3243","","","","","","1.161","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031046","12.8147","0.0002","14.1011","0.0002","18.4969","0.0002","75.5567","0.0007","74.1397","0.0007","73.6649","0.0007","3031","0.07","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C91 H80 Ag2 B22 Cl32 N8 -","- C78 H70 Ag2 B22 Cl26 N8 -","- C78 H70 Ag2 B22 Cl26 N8 -","1","0.5","","Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11027","11038","10.1039/c4dt01460j","","","0.71073","MoKα","","0.0601","0.0398","","","0.0983","0.1053","","","","","","1.059","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031047","13.9336","0.0002","16.3976","0.0002","19.5316","0.0003","102.239","0.0006","106.562","0.0007","112.348","0.0007","3688.74","0.1","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C154 H150 Ag4 F24 N20 P4 -","- C154 H150 Ag4 F24 N20 P4 -","- C154 H150 Ag4 F24 N20 P4 -","1","0.5","","Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11027","11038","10.1039/c4dt01460j","","","0.71073","MoKα","","0.0886","0.052","","","0.1158","0.1328","","","","","","1.022","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031048","34.994","0.0006","17.4149","0.0004","12.8469","0.0003","90","","92.8779","0.0014","90","","7819.2","0.3","160","1","160","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C148 H168 Ag4 F24 N16 Sb4 -","- C128 H120 Ag4 F24 N16 Sb4 -","- C256 H240 Ag8 F48 N32 Sb8 -","2","0.25","","Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11027","11038","10.1039/c4dt01460j","","","0.71073","MoKα","","0.0524","0.0399","","","0.0898","0.0943","","","","","","1.08","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031049","17.7686","0.0001","16.8498","0.0002","23.2107","0.0002","90","","90.2002","0.0006","90","","6949.18","0.11","160","1","160","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66.5 H66.5 Ag2 Cl1.5 F12 N12 P2 -","- C60 H56 Ag2 F12 N12 P2 -","- C240 H224 Ag8 F48 N48 P8 -","4","1","","Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11027","11038","10.1039/c4dt01460j","","","0.71073","MoKα","","0.0728","0.0543","","","0.1511","0.1623","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031050","23.2507","0.0003","17.266","0.0003","17.649","0.0003","90","","91.7458","0.001","90","","7081.84","0.19","160","1","160","1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C69 H72 Ag2 F12 N12 O Sb2 -","- C63 H62 Ag2 F12 N12 O Sb2 -","- C252 H248 Ag8 F48 N48 O4 Sb8 -","4","0.5","","Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11027","11038","10.1039/c4dt01460j","","","0.71073","MoKα","","0.0545","0.0456","","","0.1114","0.1161","","","","","","1.08","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031051","11.32263","0.00018","11.56854","0.00013","24.0375","0.0004","101.105","0.0013","100.426","0.0015","94.9228","0.0011","3014.78","0.08","160","1","160","1","","","","","","","","8","P -1","-P 1","2","","","","- C59 H58 Ag2 F12 N8 O P2 S4 -","- C59 H58 Ag2 F12 N8 O P2 S4 -","- C118 H116 Ag4 F24 N16 O2 P4 S8 -","2","1","","Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11027","11038","10.1039/c4dt01460j","","","0.71073","MoKα","","0.1042","0.0967","","","0.2416","0.2441","","","","","","1.175","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031052","14.535","0.003","15.354","0.003","20.933","0.004","95.61","0.03","90.64","0.03","93.36","0.03","4640.6","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H124 Li4 N4 P4 -","- C112 H124 Li4 N4 P4 -","- C224 H248 Li8 N8 P8 -","2","1","","Sindlinger, Christian P.; Stasch, Andreas","Syntheses, structures and flexible coordination of sterically demanding di- and ""tri""-lithiated methandiides.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14334","14345","10.1039/c4dt01185f","","","0.7109","synchrotron","","0.0714","0.0516","","","0.1235","0.1339","","","","","","1.027","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031053","18.743","0.004","34.226","0.007","17.098","0.003","90","","91.7","0.03","90","","10964","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C122 H132 Li4 N4 P4 -","- C110 H120 Li4 N4 P4 -","- C440 H480 Li16 N16 P16 -","4","0.5","","Sindlinger, Christian P.; Stasch, Andreas","Syntheses, structures and flexible coordination of sterically demanding di- and ""tri""-lithiated methandiides.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14334","14345","10.1039/c4dt01185f","","","0.7109","synchrotron","","0.0768","0.0566","","","0.1466","0.1546","","","","","","1.051","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031054","9.9994","0.0002","20.3004","0.0003","20.0691","0.0004","90","","101.269","0.002","90","","3995.32","0.13","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H54 Li N O2 P2 -","- C45 H54 Li N O2 P2 -","- C180 H216 Li4 N4 O8 P8 -","4","1","","Sindlinger, Christian P.; Stasch, Andreas","Syntheses, structures and flexible coordination of sterically demanding di- and ""tri""-lithiated methandiides.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14334","14345","10.1039/c4dt01185f","","","0.71073","MoKα","","0.0476","0.0366","","","0.0872","0.0941","","","","","","1.028","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031055","13.234","0.003","22.502","0.005","22.674","0.005","105.93","0.03","92.96","0.03","105.66","0.03","6194","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63.5 H83.5 Li2 N2 O3.25 P2 -","- C61 H78 Li2 N2 O3 P2 -","- C244 H312 Li8 N8 O12 P8 -","4","2","","Sindlinger, Christian P.; Stasch, Andreas","Syntheses, structures and flexible coordination of sterically demanding di- and ""tri""-lithiated methandiides.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14334","14345","10.1039/c4dt01185f","","","0.71071","synchrotron","","0.0629","0.0523","","","0.1423","0.1489","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031056","14.3832","0.0006","16.9159","0.0006","21.7831","0.0008","90","","105.412","0.004","90","","5109.3","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H70 Li2 N2 O2 P2 -","- C57 H70 Li2 N2 O2 P2 -","- C228 H280 Li8 N8 O8 P8 -","4","1","","Sindlinger, Christian P.; Stasch, Andreas","Syntheses, structures and flexible coordination of sterically demanding di- and ""tri""-lithiated methandiides.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14334","14345","10.1039/c4dt01185f","","","0.71073","MoKα","","0.0778","0.0591","","","0.1507","0.1648","","","","","","1.06","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031057","12.276","0.003","15.641","0.003","19.225","0.004","70.31","0.03","75.6","0.03","82.25","0.03","3361.1","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61.25 H82.5 Li2 N5 P2 -","- C58 H77 Li2 N5 P2 -","- C116 H154 Li4 N10 P4 -","2","1","","Sindlinger, Christian P.; Stasch, Andreas","Syntheses, structures and flexible coordination of sterically demanding di- and ""tri""-lithiated methandiides.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14334","14345","10.1039/c4dt01185f","","","0.7109","synchrotron","","0.0834","0.0532","","","0.1371","0.1482","","","","","","0.971","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031058","27.54","0.006","14.953","0.003","25.15","0.005","90","","110.97","0.03","90","","9671","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C116 H124 Li6 N4 P4 -","- C116 H124 Li6 N4 P4 -","- C464 H496 Li24 N16 P16 -","4","1","","Sindlinger, Christian P.; Stasch, Andreas","Syntheses, structures and flexible coordination of sterically demanding di- and ""tri""-lithiated methandiides.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14334","14345","10.1039/c4dt01185f","","","0.7107","synchrotron","","0.1396","0.0719","","","0.1645","0.199","","","","","","1.013","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031059","21.829","0.004","19.195","0.004","24.702","0.005","90","","113.68","0.03","90","","9479","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C112 H122 Li6 N4 P4 -","- C112 H122 Li6 N4 P4 -","- C448 H488 Li24 N16 P16 -","4","0.5","","Sindlinger, Christian P.; Stasch, Andreas","Syntheses, structures and flexible coordination of sterically demanding di- and ""tri""-lithiated methandiides.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14334","14345","10.1039/c4dt01185f","","","0.7107","synchrotron","","0.1264","0.1083","","","0.2421","0.2489","","","","","","1.332","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031060","13.564","0.003","19.665","0.004","23.258","0.005","88.59","0.03","88.44","0.03","79.17","0.03","6090","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66.5 H88.5 Li3 N2 O4 P2 -","- C66.5 H88.5 Li3 N2 O4 P2 -","- C266 H354 Li12 N8 O16 P8 -","4","2","","Sindlinger, Christian P.; Stasch, Andreas","Syntheses, structures and flexible coordination of sterically demanding di- and ""tri""-lithiated methandiides.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14334","14345","10.1039/c4dt01185f","","","0.7109","synchrotron","","0.0833","0.0566","","","0.1406","0.1558","","","","","","1.026","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031061","25.9283","0.0006","9.0626","0.0002","12.5119","0.0003","90","","90","","90","","2940.02","0.12","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H38 Cl3 Ir2 N3 -","- C29 H38 Cl3 Ir2 N3 -","- C116 H152 Cl12 Ir8 N12 -","4","1","","Mondal, Moumita; Ranjeesh, T. K.; Gupta, Suraj K.; Choudhury, Joyanta","Labile coordination approach for the modulation of the electronic properties of ruthenium(ii) and iridium(iii) complexes within an ""N-heterocyclic carbene (NHC)-pyridyl"" dynamic platform.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9356","9362","10.1039/c4dt00551a","","","0.71073","MoKα","","0.0493","0.0471","","","0.1432","0.1449","","","","","","1.055","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031062","11.7528","0.0004","18.8583","0.0007","13.8022","0.0005","90","","93.097","0.002","90","","3054.62","0.19","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 Cl3 N3 O2 Ru2 -","- C29 H36 Cl3 N3 O2 Ru2 -","- C116 H144 Cl12 N12 O8 Ru8 -","4","1","","Mondal, Moumita; Ranjeesh, T. K.; Gupta, Suraj K.; Choudhury, Joyanta","Labile coordination approach for the modulation of the electronic properties of ruthenium(ii) and iridium(iii) complexes within an ""N-heterocyclic carbene (NHC)-pyridyl"" dynamic platform.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9356","9362","10.1039/c4dt00551a","","","0.71073","MoKα","","0.0598","0.0443","","","0.0974","0.103","","","","","","1.055","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031063","17.612","0.004","9.1348","0.0014","9.4806","0.0015","90","","96.491","0.003","90","","1515.5","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H10 Mn5 O20 P4 -","- H10 Mn5 O20 P4 -","- H40 Mn20 O80 P16 -","4","0.5","","Li, Bo; Jiang, Ning; Tian, Jumei; Li, Tingting; Hou, Guixiang; Zhang, Jingping","Exploration of the slow relaxation behavior in the manganese phosphate network.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9267","9270","10.1039/c4dt00703d","","","0.71073","MoKα","","0.0262","0.0233","","","0.0726","0.0734","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031064","10.297","0.008","15.284","0.012","19.91","0.019","111.4","0.02","103.22","0.03","93.32","0.05","2805","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H76 Fe N3 O0.5 P2 -","- C58 H76 Fe N3 O0.5 P2 -","- C116 H152 Fe2 N6 O P4 -","2","1","","Lin, Ya-Fan; Nakajima, Yumiko; Ozawa, Fumiyuki","Reduction of an Fe(i) mesityl complex induced by π-acid ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9032","9037","10.1039/c4dt00170b","","","0.7107","MoKα","","0.1918","0.1211","","","0.2826","0.3412","","","","","","1.162","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031065","10.497","0.007","15.346","0.01","19.86","0.014","112.44","0.02","103.21","0.03","92.15","0.04","2851","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H76 Fe N3 O0.5 P2 Si2 -","- C56 H76 Fe N3 O0.5 P2 Si2 -","- C112 H152 Fe2 N6 O P4 Si4 -","2","1","","Lin, Ya-Fan; Nakajima, Yumiko; Ozawa, Fumiyuki","Reduction of an Fe(i) mesityl complex induced by π-acid ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9032","9037","10.1039/c4dt00170b","","","0.7107","MoKα","","0.1788","0.1236","","","0.2779","0.3221","","","","","","1.373","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031066","16.1896","0.0017","12.8505","0.0013","19.6306","0.0015","90","","119.945","0.006","90","","3538.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 F18 O10 S2 Ti -","- C22 H20 F18 O10 S2 Ti -","- C88 H80 F72 O40 S8 Ti4 -","4","1","","Li, Ningbo; Wang, Jinying; Zhang, Xiaohong; Qiu, Renhua; Wang, Xie; Chen, Jinyang; Yin, Shuang-Feng; Xu, Xinhua","Strong Lewis acid air-stable cationic titanocene perfluoroalkyl(aryl)sulfonate complexes as highly efficient and recyclable catalysts for C-C bond forming reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11696","11708","10.1039/c4dt00549j","","","0.71073","MoKα","","0.0597","0.0536","","","0.1465","0.1484","","","","","","1.089","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031067","14.3586","0.0013","15.8694","0.0016","12.0211","0.0011","90","","108.75","0.002","90","","2593.8","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C22 H14 F10 O8 S2 Ti -","- C22 H14 F10 O8 S2 Ti -","- C88 H56 F40 O32 S8 Ti4 -","4","0.5","","Li, Ningbo; Wang, Jinying; Zhang, Xiaohong; Qiu, Renhua; Wang, Xie; Chen, Jinyang; Yin, Shuang-Feng; Xu, Xinhua","Strong Lewis acid air-stable cationic titanocene perfluoroalkyl(aryl)sulfonate complexes as highly efficient and recyclable catalysts for C-C bond forming reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11696","11708","10.1039/c4dt00549j","","","0.71073","MoKα","","0.0337","0.0294","","","0.0771","0.0795","","","","","","1.146","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031068","12.9679","0.0015","15.4271","0.0018","24.784","0.003","90","","92.62","0.002","90","","4953","1","100","","100","","","","","","","","dichloromethane,diethylether","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 Au N S2 -","- C25 H34 Au N S2 -","- C200 H272 Au8 N8 S16 -","8","2","","David, B.; Monkowius, U.; Rust, J.; Lehmann, C. W.; Hyzak, L.; Mohr, F.","Gold(iii) compounds containing a chelating, dicarbanionic ligand derived from 4,4'-di-tert-butylbiphenyl.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11059","11066","10.1039/c4dt00778f","","","0.71073","Mo-Kα","","0.0236","0.0158","","","0.031","0.0328","","","","","","1.03","","","","has coordinates","276362","2022-06-28","17:38:16",""
"7031069","13.2484","0.0012","24.8662","0.0009","14.5612","0.0013","90","","110.308","0.01","90","","4498.8","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Au Cl N -","- C25 H29 Au Cl N -","- C200 H232 Au8 Cl8 N8 -","8","2","","David, B.; Monkowius, U.; Rust, J.; Lehmann, C. W.; Hyzak, L.; Mohr, F.","Gold(iii) compounds containing a chelating, dicarbanionic ligand derived from 4,4'-di-tert-butylbiphenyl.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11059","11066","10.1039/c4dt00778f","","","0.71073","MoKα","","0.0399","0.0269","","","0.0479","0.0515","","","","","","1.109","","","","has coordinates","276362","2022-06-28","17:38:16",""
"7031070","21.4833","0.0019","10.129","0.0008","12.6492","0.001","90","","106.803","0.007","90","","2635","0.4","100","","100","","","","","","","","see paper","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Au Cl2 N -","- C26 H39 Au Cl2 N -","- C104 H156 Au4 Cl8 N4 -","4","1","","David, B.; Monkowius, U.; Rust, J.; Lehmann, C. W.; Hyzak, L.; Mohr, F.","Gold(iii) compounds containing a chelating, dicarbanionic ligand derived from 4,4'-di-tert-butylbiphenyl.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11059","11066","10.1039/c4dt00778f","","","0.71073","MoKα","","0.0835","0.0771","","","0.1844","0.1871","","","","","","1.403","","","","has coordinates,has disorder","276362","2022-06-28","17:38:16",""
"7031071","6.9903","0.0008","13.3368","0.0015","14.9617","0.0017","67.968","0.002","76.678","0.002","89.813","0.002","1252.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 Au Cl N -","- C29 H33 Au Cl N -","- C58 H66 Au2 Cl2 N2 -","2","1","","David, B.; Monkowius, U.; Rust, J.; Lehmann, C. W.; Hyzak, L.; Mohr, F.","Gold(iii) compounds containing a chelating, dicarbanionic ligand derived from 4,4'-di-tert-butylbiphenyl.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11059","11066","10.1039/c4dt00778f","","","0.71073","Mo-Kα","","0.0249","0.0236","","","0.0547","0.0557","","","","","","1.108","","","","has coordinates","276362","2022-06-28","17:38:16",""
"7031072","12.158","0.006","17.873","0.008","28.687","0.013","90","","95.485","0.008","90","","6205","5","100","","100","","","","","","","","trichlormethane","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Au N2 O Se -","- C33 H41 Au N2 O Se -","- C264 H328 Au8 N16 O8 Se8 -","8","2","","David, B.; Monkowius, U.; Rust, J.; Lehmann, C. W.; Hyzak, L.; Mohr, F.","Gold(iii) compounds containing a chelating, dicarbanionic ligand derived from 4,4'-di-tert-butylbiphenyl.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11059","11066","10.1039/c4dt00778f","","","0.71073","Mo-Kα","","0.0579","0.0362","","","0.0817","0.1022","","","","","","1.146","","","","has coordinates,has disorder","276362","2022-06-28","17:38:16",""
"7031073","10.7747","0.0006","13.219","0.0007","14.0466","0.0008","67.773","0.001","68.486","0.001","76.358","0.001","1711.98","0.16","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H60 F8 Mn2 O10 -","- C84 H60 F8 Mn2 O10 -","- C84 H60 F8 Mn2 O10 -","1","0.5","","Sivanesan, Dharmalingam; Kannan, Sethuraman; Thangadurai, Thangaian Daniel; Jung, Kwang-Deog; Yoon, Sungho","Water is a key factor to alter the structure and electrochemical properties of carboxylate-bridged dimanganese(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11465","11469","10.1039/c4dt00520a","","","0.71073","MoKα","","0.1179","0.0633","","","0.1007","0.1564","","","","","","1.162","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031074","12.331","0.003","14.072","0.003","14.127","0.003","97.29","0.03","114.67","0.03","111.21","0.03","1961.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H68 Cl4 F8 Mn2 O12 -","- C86 H68 Cl4 F8 Mn2 O12 -","- C86 H68 Cl4 F8 Mn2 O12 -","1","0.5","","Sivanesan, Dharmalingam; Kannan, Sethuraman; Thangadurai, Thangaian Daniel; Jung, Kwang-Deog; Yoon, Sungho","Water is a key factor to alter the structure and electrochemical properties of carboxylate-bridged dimanganese(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11465","11469","10.1039/c4dt00520a","","","0.71073","MoKα","","0.0665","0.0465","","","0.1105","0.1158","","","","","","0.947","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031075","11.3219","0.0002","13.7116","0.0002","15.3645","0.0003","109.244","0.001","90.104","0.001","100.722","0.001","2207.48","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H50 F4 Mn O12 -","- C46 H50 F4 Mn O12 -","- C92 H100 F8 Mn2 O24 -","2","1","","Sivanesan, Dharmalingam; Kannan, Sethuraman; Thangadurai, Thangaian Daniel; Jung, Kwang-Deog; Yoon, Sungho","Water is a key factor to alter the structure and electrochemical properties of carboxylate-bridged dimanganese(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11465","11469","10.1039/c4dt00520a","","","0.71073","MoKα","","0.0519","0.0443","","","0.1256","0.1324","","","","","","1.037","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031076","9.6026","0.001","17.0196","0.0017","18.5657","0.0018","93.555","0.005","94.076","0.005","98.263","0.005","2987.1","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H56 Cl5 Dy3 N14 O19 -","- C38 H52 Cl5 Dy3 N14 O18 -","- C76 H104 Cl10 Dy6 N28 O36 -","2","1","","Adhikary, Amit; Sheikh, Javeed Ahmad; Biswas, Soumava; Konar, Sanjit","Synthesis, crystal structure and study of magnetocaloric effect and single molecular magnetic behaviour in discrete lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9334","9343","10.1039/c4dt00540f","","","0.71073","MoKα","","0.048","0.0473","","","0.1404","0.1409","","","","","","1.08","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031077","19.6915","0.0013","16.9653","0.0012","20.297","0.0014","90","","96.649","0.004","90","","6735.1","0.8","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H62 Cl5 Gd3 N14 O22 -","- C38 H62 Cl5 Gd3 N14 O22 -","- C152 H248 Cl20 Gd12 N56 O88 -","4","0.5","","Adhikary, Amit; Sheikh, Javeed Ahmad; Biswas, Soumava; Konar, Sanjit","Synthesis, crystal structure and study of magnetocaloric effect and single molecular magnetic behaviour in discrete lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9334","9343","10.1039/c4dt00540f","","","0.71073","MoKα","","0.0472","0.0426","","","0.1139","0.1175","","","","","","1.066","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031078","13.8677","0.0016","16.1876","0.0019","20.268","0.002","90","","103.23","0.005","90","","4429.1","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H88 Cl2 Dy6 N16 O32 -","- C64 H80 Cl2 Dy6 N16 O30 -","- C128 H160 Cl4 Dy12 N32 O60 -","2","0.5","","Adhikary, Amit; Sheikh, Javeed Ahmad; Biswas, Soumava; Konar, Sanjit","Synthesis, crystal structure and study of magnetocaloric effect and single molecular magnetic behaviour in discrete lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9334","9343","10.1039/c4dt00540f","","","0.71073","MoKα","","0.0503","0.0415","","","0.1166","0.1224","","","","","","1.19","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031079","13.942","0.004","16.159","0.004","20.385","0.006","90","","103.577","0.014","90","","4464","2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H88 Cl2 Gd6 N16 O32 -","- C64 H80 Cl2 Gd6 N16 O30 -","- C128 H160 Cl4 Gd12 N32 O60 -","2","0.5","","Adhikary, Amit; Sheikh, Javeed Ahmad; Biswas, Soumava; Konar, Sanjit","Synthesis, crystal structure and study of magnetocaloric effect and single molecular magnetic behaviour in discrete lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9334","9343","10.1039/c4dt00540f","","","0.71073","MoKα","","0.0653","0.0528","","","0.1518","0.1616","","","","","","1.043","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031104","12.5125","0.0003","13.1269","0.0003","13.9163","0.0003","117.169","0.002","102.567","0.002","101.203","0.002","1867.91","0.09","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C39 H32 Ag Cl2 F3 N2 O4 P2 S -","- C39 H30 Ag Cl2 F3 N2 O4 P2 S -","- C78 H60 Ag2 Cl4 F6 N4 O8 P4 S2 -","2","1","","Crespo, Olga; Gimeno, M Concepción; Laguna, Antonio; Marriott, Rosie; Sáez-Rocher, José M; Villacampa, M. Dolores","A comparative study of structural patterns and luminescent properties of silver-DAFO complexes with carborane- versus ""classical""-diphosphanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12214","12220","10.1039/c4dt00797b","","","0.71073","MoKα","","0.0656","0.06","","","0.1509","0.1554","","","","","","1.048","","","","has coordinates,has disorder","180017","2020-10-21","18:00:00",""
"7031105","10.55","0.002","11.13","0.002","18.14","0.004","73.23","0.03","80.37","0.03","78.91","0.03","1987.1","0.8","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C27 H46 Ag B10 Cl2 F3 N2 O4 P2 S -","- C27 H46 Ag B10 Cl2 F3 N2 O4 P2 S -","- C54 H92 Ag2 B20 Cl4 F6 N4 O8 P4 S2 -","2","1","","Crespo, Olga; Gimeno, M Concepción; Laguna, Antonio; Marriott, Rosie; Sáez-Rocher, José M; Villacampa, M. Dolores","A comparative study of structural patterns and luminescent properties of silver-DAFO complexes with carborane- versus ""classical""-diphosphanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12214","12220","10.1039/c4dt00797b","","","0.71073","MoKα","","0.0273","0.0239","","","0.0562","0.058","","","","","","1.036","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031106","8.9627","0.0018","12.895","0.003","13.264","0.003","84.53","0.03","70.92","0.03","76.81","0.03","1410.2","0.6","373","2","373","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H21 Ag F3 N2 O4 P S -","- C30 H21 Ag F3 N2 O4 P S -","- C60 H42 Ag2 F6 N4 O8 P2 S2 -","2","1","","Crespo, Olga; Gimeno, M Concepción; Laguna, Antonio; Marriott, Rosie; Sáez-Rocher, José M; Villacampa, M. Dolores","A comparative study of structural patterns and luminescent properties of silver-DAFO complexes with carborane- versus ""classical""-diphosphanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12214","12220","10.1039/c4dt00797b","","","0.71073","MoKα","","0.0217","0.0204","","","0.048","0.0486","","","","","","1.037","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031107","8.7761","0.001","8.8272","0.001","12.3449","0.0014","80.26","0.001","71.823","0.001","86.013","0.001","895.38","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Cl6 Mo2 O5 S -","- C8 H10 Cl6 Mo2 O5 S -","- C16 H20 Cl12 Mo4 O10 S2 -","2","1","","Bortoluzzi, Marco; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Synthesis of di- and tetranuclear oxido-molybdenum(v) complexes containing p-toluenesulfonates as ligands: a joint spectroscopic, crystallographic and computational study.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10157","10163","10.1039/c4dt00796d","","","0.71073","MoKα","","0.0411","0.0328","","","0.0832","0.0881","","","","","","1.041","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031108","10.758","0.006","20.295","0.011","22.316","0.012","90","","90.161","0.006","90","","4872","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Cl10 Mo4 O16 S4 -","- C29 H30 Cl10 Mo4 O16 S4 -","- C116 H120 Cl40 Mo16 O64 S16 -","4","1","","Bortoluzzi, Marco; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Synthesis of di- and tetranuclear oxido-molybdenum(v) complexes containing p-toluenesulfonates as ligands: a joint spectroscopic, crystallographic and computational study.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10157","10163","10.1039/c4dt00796d","","","0.71073","MoKα","","0.2603","0.185","","","0.4442","0.5021","","","","","","1.776","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031109","13.32","0.003","7.729","0.002","14.785","0.002","90","","90.256","0.014","90","","1522.1","0.6","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tricalcium Diyttrium Bis(catena-trisilicate)","","- Ca3 O18 Si6 Y2 -","- Ca2.997 O18 Si6 Y1.999 -","- Ca11.988 O72 Si24 Y7.996 -","4","0.5","","Yang, Zhiping; Dong, Hongyan; Liang, Xiaoshuang; Hou, Chuncai; Liu, Lipeng; Lu, Fachun","Preparation and fluorescence properties of color tunable phosphors Ca3Y2(Si3O9)2:Dy(3+).","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11474","11477","10.1039/c4dt00794h","","","","","","0.0327","","","","","","","","","","","","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031110","9.6177","0.0015","13.49","0.002","15.996","0.002","90.087","0.002","96.643","0.002","105.861","0.002","1981.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 N6 O13 Pb2 S2 -","- C38 H32 N6 O13 Pb2 S2 -","- C76 H64 N12 O26 Pb4 S4 -","2","1","","Zhang, Kou-Lin; Zhong, Zhao-Yin; Zhang, Lei; Jing, Chu-Yue; Daniels, Luke M.; Walton, Richard I.","Synthesis, characterization and properties of a family of lead(ii)-organic frameworks based on a multi-functional ligand 2-amino-4-sulfobenzoic acid exhibiting auxiliary ligand-dependent dehydration-rehydration behaviours.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11597","11610","10.1039/c4dt00659c","","","0.71073","MoKα","","0.0799","0.0437","","","0.1038","0.1297","","","","","","1.01","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031111","9.7272","0.001","13.469","0.0014","15.4478","0.0016","89.29","0.001","83.617","0.001","70.476","0.001","1895","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 N6 O13 Pb2 S2 -","- C34 H32 N6 O13 Pb2 S2 -","- C68 H64 N12 O26 Pb4 S4 -","2","1","","Zhang, Kou-Lin; Zhong, Zhao-Yin; Zhang, Lei; Jing, Chu-Yue; Daniels, Luke M.; Walton, Richard I.","Synthesis, characterization and properties of a family of lead(ii)-organic frameworks based on a multi-functional ligand 2-amino-4-sulfobenzoic acid exhibiting auxiliary ligand-dependent dehydration-rehydration behaviours.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11597","11610","10.1039/c4dt00659c","","","0.71073","MoKα","","0.0545","0.0419","","","0.1175","0.1294","","","","","","1.079","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031112","5.9314","0.0007","11.0291","0.0013","24.939","0.003","101.052","0.001","92.705","0.002","93.508","0.002","1595.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 N6 O12 Pb2 S2 -","- C28 H28 N6 O12 Pb2 S2 -","- C56 H56 N12 O24 Pb4 S4 -","2","1","","Zhang, Kou-Lin; Zhong, Zhao-Yin; Zhang, Lei; Jing, Chu-Yue; Daniels, Luke M.; Walton, Richard I.","Synthesis, characterization and properties of a family of lead(ii)-organic frameworks based on a multi-functional ligand 2-amino-4-sulfobenzoic acid exhibiting auxiliary ligand-dependent dehydration-rehydration behaviours.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11597","11610","10.1039/c4dt00659c","","","0.71073","MoKα","","0.0527","0.0394","","","0.0963","0.1085","","","","","","1.062","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031113","6.678","0.0011","14.672","0.003","9.7183","0.0017","90","","95.169","0.002","90","","948.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O6 Pb S -","- C7 H7 N O6 Pb S -","- C28 H28 N4 O24 Pb4 S4 -","4","1","","Zhang, Kou-Lin; Zhong, Zhao-Yin; Zhang, Lei; Jing, Chu-Yue; Daniels, Luke M.; Walton, Richard I.","Synthesis, characterization and properties of a family of lead(ii)-organic frameworks based on a multi-functional ligand 2-amino-4-sulfobenzoic acid exhibiting auxiliary ligand-dependent dehydration-rehydration behaviours.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11597","11610","10.1039/c4dt00659c","","","0.71073","MoKα","","0.0292","0.0263","","","0.0688","0.0705","","","","","","1.091","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031114","6.2881","0.0012","8.0961","0.0014","8.6404","0.0014","93.554","0.005","97.654","0.006","102.178","0.006","424.3","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 N2 O11 S2 -","- C14 H16 N2 O11 S2 -","- C14 H16 N2 O11 S2 -","1","0.5","","Zhang, Kou-Lin; Zhong, Zhao-Yin; Zhang, Lei; Jing, Chu-Yue; Daniels, Luke M.; Walton, Richard I.","Synthesis, characterization and properties of a family of lead(ii)-organic frameworks based on a multi-functional ligand 2-amino-4-sulfobenzoic acid exhibiting auxiliary ligand-dependent dehydration-rehydration behaviours.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11597","11610","10.1039/c4dt00659c","","","0.71073","MoKα","","0.0529","0.0387","","","0.0934","0.1002","","","","","","1.061","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031115","8.4087","0.0004","15.1721","0.0007","18.6015","0.0008","90","","99.145","0.003","90","","2342.97","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl2 Zr -","- C28 H28 Cl2 Zr -","- C112 H112 Cl8 Zr4 -","4","1","","Park, Ji Hae; Jang, Young Eun; Jeon, Jong Yeob; Go, Min Jeong; Lee, Junseong; Kim, Sung Kwan; Lee, Sang-Ick; Lee, Bun Yeoul","Preparation of ansa-metallocenes for production of poly(α-olefin) lubricants.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10132","10138","10.1039/c4dt00997e","","","0.71073","MoKα","","0.1247","0.0883","","","0.1967","0.2161","","","","","","1.016","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031116","11.8175","0.0007","10.6459","0.0006","18.57","0.0011","90","","97.934","0.004","90","","2313.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl2 Zr -","- C24 H36 Cl2 Zr -","- C96 H144 Cl8 Zr4 -","4","1","","Park, Ji Hae; Jang, Young Eun; Jeon, Jong Yeob; Go, Min Jeong; Lee, Junseong; Kim, Sung Kwan; Lee, Sang-Ick; Lee, Bun Yeoul","Preparation of ansa-metallocenes for production of poly(α-olefin) lubricants.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10132","10138","10.1039/c4dt00997e","","","0.71073","MoKα","","0.1328","0.1164","","","0.2978","0.3067","","","","","","1.002","","","","has coordinates,has disorder","180017","2020-10-21","18:00:00",""
"7031117","12.695","0.0005","18.016","0.001","17.448","0.002","90","","101.987","0.006","90","","3903.6","0.5","180","2","180","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H50 B2 Ca F24 N12 O2 -","- C86 H50 B2 Ca F24 N12 O2 -","- C172 H100 B4 Ca2 F48 N24 O4 -","2","0.5","","Romero, Nuria; Vendier, Laure; Dinoi, Chiara; Etienne, Michel","Highly fluorinated hydrotris(indazolyl)borate calcium complexes: the structure and reactivity heavily depend on the ligand's electronic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10114","10119","10.1039/c4dt00884g","","x-ray","0.71073","MoKα","","0.0834","0.0454","","","0.0895","0.1042","","","","","","1.019","","","","has coordinates,has disorder","180017","2020-10-21","18:00:00",""
"7031118","19.619","0.0005","19.619","0.0005","81.338","0.003","90","","90","","120","","27113","1.4","180","2","180","2","","","","","","","synthesis as described","7","R -3 c :H","-R 3 2""c","167","","","","- C162 H132 B4 Ca2 F84 N24 O12 -","- C162 H132 B4 Ca2 F84 N24 O12 -","- C972 H792 B24 Ca12 F504 N144 O72 -","6","0.166667","","Romero, Nuria; Vendier, Laure; Dinoi, Chiara; Etienne, Michel","Highly fluorinated hydrotris(indazolyl)borate calcium complexes: the structure and reactivity heavily depend on the ligand's electronic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10114","10119","10.1039/c4dt00884g","","x-ray","1.54184","CuKα","","0.0664","0.0527","","","0.134","0.1472","","","","","","1.025","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031119","10.1839","0.0004","14.1303","0.0005","18.01","0.0006","90","","102.571","0.001","90","","2529.54","0.16","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H38 Cl Ho N8 Se3 Sn -","- C12 H38 Cl Ho N8 Se3 Sn -","- C48 H152 Cl4 Ho4 N32 Se12 Sn4 -","4","1","","Xiao, Hong-Ping; Zhou, Jian; Wang, Xiao-Li; Zou, Hua-Hong; Zhao, Rong-Qing; Xiao, Hong","Solvothermal syntheses and characterizations of three new holmium selenidostannates(iv): a rare example of adamantane-like [Sn4Se10](4-) selenidostannate(iv) with lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12306","12312","10.1039/c4dt00972j","","","0.71073","MoKα","","0.0296","0.0251","","","0.0566","0.0583","","","","","","1.143","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031120","12.0096","0.0006","11.7181","0.0006","13.7717","0.0007","90","","99.138","0.001","90","","1913.49","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H54 Ho2 N12 O2 Se6 Sn2 -","- C16 H54 Ho2 N12 O2 Se6 Sn2 -","- C32 H108 Ho4 N24 O4 Se12 Sn4 -","2","0.5","","Xiao, Hong-Ping; Zhou, Jian; Wang, Xiao-Li; Zou, Hua-Hong; Zhao, Rong-Qing; Xiao, Hong","Solvothermal syntheses and characterizations of three new holmium selenidostannates(iv): a rare example of adamantane-like [Sn4Se10](4-) selenidostannate(iv) with lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12306","12312","10.1039/c4dt00972j","","","0.71073","MoKα","","0.0249","0.0215","","","0.0514","0.0529","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031121","28.0757","0.0012","28.0757","0.0012","10.9479","0.001","90","","90","","90","","8629.6","0.9","296","2","296","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C32 H104 Cl4 Ho4 N20 O8 Se10 Sn4 -","- C32 H96 Cl4 Ho4 N20 O6 Se10 Sn4 -","- C128 H384 Cl16 Ho16 N80 O24 Se40 Sn16 -","4","0.25","","Xiao, Hong-Ping; Zhou, Jian; Wang, Xiao-Li; Zou, Hua-Hong; Zhao, Rong-Qing; Xiao, Hong","Solvothermal syntheses and characterizations of three new holmium selenidostannates(iv): a rare example of adamantane-like [Sn4Se10](4-) selenidostannate(iv) with lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12306","12312","10.1039/c4dt00972j","","","0.71073","MoKα","","0.0348","0.0273","","","0.0704","0.0741","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7031122","7.6254","0.0008","9.6654","0.001","10.4451","0.0012","90.651","0.009","108.055","0.01","100.708","0.009","717.22","0.14","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 Cu2 N6 O4 -","- C30 H38 Cu2 N6 O4 -","- C30 H38 Cu2 N6 O4 -","1","0.5","","Costes, Jean-Pierre; Duhayon, Carine; Mallet-Ladeira, Sonia; Vendier, Laure; Garcia-Tojal, Javier; Banet, Luisa Lopez","Antiferromagnetic Cu-Gd interactions through an oxime bridge.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11388","11396","10.1039/c4dt01139b","","","0.71073","MoKα","","0.0947","0.0607","","0.0826","0.0644","0.0578","","","","","","1.0225","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031123","11.9478","0.0005","18.4048","0.0007","17.5548","0.0007","90","","96.735","0.002","90","","3833.6","0.3","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Cu2 N9 O14 Tb -","- C30 H40 Cu2 N9 O14 Tb -","- C120 H160 Cu8 N36 O56 Tb4 -","4","1","","Costes, Jean-Pierre; Duhayon, Carine; Mallet-Ladeira, Sonia; Vendier, Laure; Garcia-Tojal, Javier; Banet, Luisa Lopez","Antiferromagnetic Cu-Gd interactions through an oxime bridge.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11388","11396","10.1039/c4dt01139b","","","0.71073","MoKα","","0.0205","0.0164","","","0.0392","0.0408","","","","","","1.04","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031124","10.5144","0.0004","11.4478","0.0004","11.5167","0.0004","86.825","0.002","85.037","0.002","89.709","0.002","1378.91","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H29 Cu Ho N6 O14 -","- C18 H29 Cu Ho N6 O14 -","- C36 H58 Cu2 Ho2 N12 O28 -","2","1","","Costes, Jean-Pierre; Duhayon, Carine; Mallet-Ladeira, Sonia; Vendier, Laure; Garcia-Tojal, Javier; Banet, Luisa Lopez","Antiferromagnetic Cu-Gd interactions through an oxime bridge.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11388","11396","10.1039/c4dt01139b","","","0.71073","MoKα","","0.0387","0.0282","","0.0303","0.0233","0.0225","","","","","","1.1006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031125","11.8127","0.0004","11.9689","0.0003","36.3748","0.0012","86.327","0.001","86.649","0.001","62.064","0.001","4531.9","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C90 H130 N4 O8 Si4 Y2 -","- C90 H130 N4 O8 Si4 Y2 -","- C180 H260 N8 O16 Si8 Y4 -","2","1","","Chapurina, Yulia; Klitzke, Joice; Casagrande, Jr, Osvaldo de L; Awada, Mouhamad; Dorcet, Vincent; Kirillov, Evgueni; Carpentier, Jean-François","Scandium versus yttrium{amino-alkoxy-bis(phenolate)} complexes for the stereoselective ring-opening polymerization of racemic lactide and β-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14322","14333","10.1039/c4dt01206b","","x-ray","0.71073","MoKα","","0.1015","0.0614","","","0.1429","0.1616","","","","","","1.025","","","","has coordinates,has disorder","180017","2020-10-21","18:00:00",""
"7031126","9.5098","0.0009","11.7992","0.0011","14.6808","0.0015","77.799","0.004","86.607","0.004","81.796","0.004","1592.9","0.3","275","2","275","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C38 H48 N2 O2 -","- C38 H48 N2 O2 -","- C76 H96 N4 O4 -","2","1","","Chapurina, Yulia; Klitzke, Joice; Casagrande, Jr, Osvaldo de L; Awada, Mouhamad; Dorcet, Vincent; Kirillov, Evgueni; Carpentier, Jean-François","Scandium versus yttrium{amino-alkoxy-bis(phenolate)} complexes for the stereoselective ring-opening polymerization of racemic lactide and β-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14322","14333","10.1039/c4dt01206b","","x-ray","0.71073","MoKα","","0.0504","0.0417","","","0.1064","0.1132","","","","","","1.032","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031127","13.4212","0.0007","17.8521","0.0009","13.6834","0.0005","90","","104.109","0.001","90","","3179.6","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 N O3 -","- C37 H45 N O3 -","- C148 H180 N4 O12 -","4","1","","Chapurina, Yulia; Klitzke, Joice; Casagrande, Jr, Osvaldo de L; Awada, Mouhamad; Dorcet, Vincent; Kirillov, Evgueni; Carpentier, Jean-François","Scandium versus yttrium{amino-alkoxy-bis(phenolate)} complexes for the stereoselective ring-opening polymerization of racemic lactide and β-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14322","14333","10.1039/c4dt01206b","","x-ray","0.71073","MoKα","","0.0732","0.045","","","0.1058","0.1212","","","","","","1.012","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031128","10.4197","0.0003","13.9848","0.0004","14.841","0.0003","84.69","0.001","85.689","0.001","82.797","0.001","2131.89","0.1","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C42 H60 N3 O2 Sc Si2 -","- C42 H60 N3 O2 Sc Si2 -","- C84 H120 N6 O4 Sc2 Si4 -","2","1","","Chapurina, Yulia; Klitzke, Joice; Casagrande, Jr, Osvaldo de L; Awada, Mouhamad; Dorcet, Vincent; Kirillov, Evgueni; Carpentier, Jean-François","Scandium versus yttrium{amino-alkoxy-bis(phenolate)} complexes for the stereoselective ring-opening polymerization of racemic lactide and β-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14322","14333","10.1039/c4dt01206b","","x-ray","0.71073","MoKα","","0.0593","0.0442","","","0.1095","0.1177","","","","","","1.042","","","","has coordinates,has disorder","180017","2020-10-21","18:00:00",""
"7031129","12.5985","0.0007","22.695","0.0011","12.9265","0.0007","90","","110.847","0.002","90","","3454","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H43 Cl2 N O3 -","- C37 H43 Cl2 N O3 -","- C148 H172 Cl8 N4 O12 -","4","1","","Chapurina, Yulia; Klitzke, Joice; Casagrande, Jr, Osvaldo de L; Awada, Mouhamad; Dorcet, Vincent; Kirillov, Evgueni; Carpentier, Jean-François","Scandium versus yttrium{amino-alkoxy-bis(phenolate)} complexes for the stereoselective ring-opening polymerization of racemic lactide and β-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14322","14333","10.1039/c4dt01206b","","x-ray","0.71073","MoKα","","0.1087","0.0581","","","0.1343","0.1521","","","","","","1.033","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031130","17.9067","0.0006","11.2217","0.0004","26.2238","0.0008","90","","91.395","0.001","90","","5267.9","0.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H73 N2 O3 Sc Si2 -","- C57 H73 N2 O3 Sc Si2 -","- C228 H292 N8 O12 Sc4 Si8 -","4","1","","Chapurina, Yulia; Klitzke, Joice; Casagrande, Jr, Osvaldo de L; Awada, Mouhamad; Dorcet, Vincent; Kirillov, Evgueni; Carpentier, Jean-François","Scandium versus yttrium{amino-alkoxy-bis(phenolate)} complexes for the stereoselective ring-opening polymerization of racemic lactide and β-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14322","14333","10.1039/c4dt01206b","","x-ray","0.71073","MoKα","","0.0633","0.0437","","","0.102","0.1117","","","","","","1.023","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031131","11.0295","0.0003","28.6061","0.0007","13.5365","0.0005","90","","99.707","0.002","90","","4209.8","0.2","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H55 Cl2 N2 O3 Sc Si2 -","- C41 H55 Cl2 N2 O3 Sc Si2 -","- C164 H220 Cl8 N8 O12 Sc4 Si8 -","4","1","","Chapurina, Yulia; Klitzke, Joice; Casagrande, Jr, Osvaldo de L; Awada, Mouhamad; Dorcet, Vincent; Kirillov, Evgueni; Carpentier, Jean-François","Scandium versus yttrium{amino-alkoxy-bis(phenolate)} complexes for the stereoselective ring-opening polymerization of racemic lactide and β-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14322","14333","10.1039/c4dt01206b","","x-ray","0.71073","MoKα","","0.0809","0.0554","","","0.1125","0.1251","","","","","","1.003","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031187","19.7281","0.0006","19.7281","0.0006","19.7281","0.0006","90","","90","","90","","7678.1","0.4","293","2","293","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C28 H52 Cu4 I4 N4 -","- C28 H52 Cu4 I4 N4 -","- C224 H416 Cu32 I32 N32 -","8","0.333333","","Mazzeo, Paolo P.; Maini, Lucia; Petrolati, Alex; Fattori, Valeria; Shankland, Kenneth; Braga, Dario","Phosphorescence quantum yield enhanced by intermolecular hydrogen bonds in Cu4I4 clusters in the solid state.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9448","9455","10.1039/c4dt00218k","","","0.71073","MoKα","","0.1078","0.0489","","","0.0669","0.0832","","","","","","1.043","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031188","9.9963","0.0007","9.9963","0.0007","18.114","0.002","90","","90","","90","","1810.1","0.3","293","2","293","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C24 H52 Cu4 I4 N4 -","- C24 H52 Cu4 I4 N4 -","- C48 H104 Cu8 I8 N8 -","2","0.125","","Mazzeo, Paolo P.; Maini, Lucia; Petrolati, Alex; Fattori, Valeria; Shankland, Kenneth; Braga, Dario","Phosphorescence quantum yield enhanced by intermolecular hydrogen bonds in Cu4I4 clusters in the solid state.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9448","9455","10.1039/c4dt00218k","","","0.71073","MoKα","","0.1876","0.0735","","","0.1348","0.1804","","","","","","0.917","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031189","19.9029","0.0002","19.9029","0.0002","19.9029","0.0002","90","","90","","90","","7884.04","0.14","293","","293","","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","?5a?","- C28 H52 Cu4 I4 N4 O4 -","- C28 H28 Cu4 I4 N4 O3.84 -","- C224 H224 Cu32 I32 N32 O30.72 -","8","0.333333","","Mazzeo, Paolo P.; Maini, Lucia; Petrolati, Alex; Fattori, Valeria; Shankland, Kenneth; Braga, Dario","Phosphorescence quantum yield enhanced by intermolecular hydrogen bonds in Cu4I4 clusters in the solid state.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9448","9455","10.1039/c4dt00218k","powder diffraction","","1.5406","CuKα","","","","","","","","","2.76506","1.86","","","","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031190","37.444","0.004","12.2662","0.0008","20","0.002","90","","113.38","0.01","90","","8431.7","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H52 Cu4 I4 N4 O4 -","- C28 H48 Cu4 I4 N4 O4 -","- C224 H384 Cu32 I32 N32 O32 -","8","1","","Mazzeo, Paolo P.; Maini, Lucia; Petrolati, Alex; Fattori, Valeria; Shankland, Kenneth; Braga, Dario","Phosphorescence quantum yield enhanced by intermolecular hydrogen bonds in Cu4I4 clusters in the solid state.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9448","9455","10.1039/c4dt00218k","","","0.71073","MoKα","","0.1866","0.0972","","","0.1945","0.2378","","","","","","1.058","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031191","17.694","0.004","9.5613","0.0019","33.263","0.007","90","","91.29","0.03","90","","5626","2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H40 Fe N O P3 -","- C23 H40 Fe N O P3 -","- C184 H320 Fe8 N8 O8 P24 -","8","1","","Zuo, Zhenyu; Sun, Hongjian; Wang, Lin; Li, Xiaoyan","Hydrosilylation of aldehydes and ketones catalyzed by hydrido iron complexes bearing imine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11716","11722","10.1039/c4dt00944d","","","0.71073","MoKα","","0.1229","0.0831","","","0.2314","0.2612","","","","","","1.029","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031192","36.1399","0.001","9.5531","0.0004","17.959","0.0005","90","","107.528","0.002","90","","5912.4","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H42 Fe N O P3 -","- C24 H42 Fe N O P3 -","- C192 H336 Fe8 N8 O8 P24 -","8","1","","Zuo, Zhenyu; Sun, Hongjian; Wang, Lin; Li, Xiaoyan","Hydrosilylation of aldehydes and ketones catalyzed by hydrido iron complexes bearing imine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11716","11722","10.1039/c4dt00944d","","","0.71073","MoKα","","0.0692","0.0643","","","0.2057","0.2106","","","","","","1.129","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031193","9.0912","0.0004","9.6479","0.0005","9.7378","0.0004","100.783","0.002","90.525","0.002","116.372","0.002","747.57","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 I2 N6 Pd -","- C30 H26 I2 N6 Pd -","- C30 H26 I2 N6 Pd -","1","0.5","","Sureshbabu, Bemineni; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Facile base-free in situ generation and palladation of mesoionic and normal N-heterocyclic carbenes at ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10710","10712","10.1039/c4dt01112k","","","0.71073","MoKα","","0.0598","0.0387","","","0.0943","0.1129","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031194","7.664","0.0003","17.9545","0.0009","21.5137","0.001","90","","92.956","0.002","90","","2956.4","0.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 I2 N8 O2 Pd -","- C24 H26 I2 N8 O2 Pd -","- C96 H104 I8 N32 O8 Pd4 -","4","1","","Sureshbabu, Bemineni; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Facile base-free in situ generation and palladation of mesoionic and normal N-heterocyclic carbenes at ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10710","10712","10.1039/c4dt01112k","","","0.71073","MoKα","","0.0489","0.0388","","","0.0897","0.0968","","","","","","1.156","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031195","18.6769","0.0003","12.2264","0.0002","18.2277","0.0003","90","","119.715","0.001","90","","3614.98","0.11","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 I2 N8 Pd -","- C36 H34 I2 N8 Pd -","- C144 H136 I8 N32 Pd4 -","4","0.5","","Sureshbabu, Bemineni; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Facile base-free in situ generation and palladation of mesoionic and normal N-heterocyclic carbenes at ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10710","10712","10.1039/c4dt01112k","","","0.71073","MoKα","","0.0229","0.0194","","","0.0457","0.0478","","","","","","1.029","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031196","7.9729","0.0003","20.2336","0.001","9.0739","0.0004","90","","100.016","0.0018","90","","1441.5","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Br2 N4 Pd -","- C32 H28 Br2 N4 Pd -","- C64 H56 Br4 N8 Pd2 -","2","0.5","","Sureshbabu, Bemineni; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Facile base-free in situ generation and palladation of mesoionic and normal N-heterocyclic carbenes at ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10710","10712","10.1039/c4dt01112k","","","0.71073","MoKα","","0.0263","0.0212","","","0.0578","0.0605","","","","","","1.23","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031197","9.6138","0.0003","11.1782","0.0005","17.083","0.0007","89.666","0.003","75.815","0.003","65.343","0.003","1607.85","0.12","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H44 N2 Se -","- C38 H44 N2 Se -","- C76 H88 N4 Se2 -","2","1","","Rakesh, Prakul; Singh, Harkesh B.; Jasinski, Jerry P.; Golen, James A.","Synthesis, structure and reactivity of [o-(2,6-diisopropylphenyliminomethinyl)phenyl]selenenyl selenocyanate (RSeSeCN) and related derivatives.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9431","9437","10.1039/c4dt00157e","","","1.54184","CuKα","","0.035","0.0323","","","0.0814","0.0834","","","","","","1.039","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031198","9.5735","0.0005","16.5118","0.0009","23.4372","0.0013","90","","90","","90","","3704.9","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H22 Br N Se -","- C19 H22 Br N Se -","- C152 H176 Br8 N8 Se8 -","8","1","","Rakesh, Prakul; Singh, Harkesh B.; Jasinski, Jerry P.; Golen, James A.","Synthesis, structure and reactivity of [o-(2,6-diisopropylphenyliminomethinyl)phenyl]selenenyl selenocyanate (RSeSeCN) and related derivatives.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9431","9437","10.1039/c4dt00157e","","","0.71073","MoKα","","0.052","0.0361","","","0.0764","0.0834","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031199","9.5672","0.0002","17.2716","0.0002","23.5022","0.0005","90","","90","","90","","3883.52","0.12","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H22 I N Se -","- C19 H22 I N Se -","- C152 H176 I8 N8 Se8 -","8","1","","Rakesh, Prakul; Singh, Harkesh B.; Jasinski, Jerry P.; Golen, James A.","Synthesis, structure and reactivity of [o-(2,6-diisopropylphenyliminomethinyl)phenyl]selenenyl selenocyanate (RSeSeCN) and related derivatives.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9431","9437","10.1039/c4dt00157e","","","0.71073","MoKα","","0.037","0.0275","","","0.0558","0.0593","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031200","10.0205","0.0006","11.4514","0.0008","16.4769","0.0012","90","","97.148","0.006","90","","1876","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 Se2 -","- C20 H22 N2 Se2 -","- C80 H88 N8 Se8 -","4","1","","Rakesh, Prakul; Singh, Harkesh B.; Jasinski, Jerry P.; Golen, James A.","Synthesis, structure and reactivity of [o-(2,6-diisopropylphenyliminomethinyl)phenyl]selenenyl selenocyanate (RSeSeCN) and related derivatives.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9431","9437","10.1039/c4dt00157e","","","0.71073","MoKα","","0.0493","0.0344","","","0.0754","0.082","","","","","","1.041","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031201","10.6716","0.0018","13.846","0.002","8.2794","0.0014","90","","108.956","0.003","90","","1157","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Cl2 N Pd S -","- C9 H13 Cl2 N Pd S -","- C36 H52 Cl8 N4 Pd4 S4 -","4","1","","Singh, Ved Vati; Kumar, Umesh; Tripathi, Sandeep Nath; Singh, Ajai Kumar","Shape dependent catalytic activity of nanoflowers and nanospheres of Pd4S generated via one pot synthesis and grafted on graphene oxide for Suzuki coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12555","12563","10.1039/c4dt01396d","","","0.71073","MoKα","","0.0207","0.0198","","","0.0486","0.049","","","","","","1.06","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031202","13.4039","0.0013","13.5804","0.0013","16.5744","0.0016","89.086","0.002","77.146","0.002","62.065","0.001","2585","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H80 B N6 Na O3.5 S3 -","- C51 H76 B N6 Na O3 S3 -","- C102 H152 B2 N12 Na2 O6 S6 -","2","1","","Kreider-Mueller, Ava; Rong, Yi; Owen, Jonathan S.; Parkin, Gerard","Molecular structures of tris(2-mercapto-1-tert-butylimidazolyl)hydroborato and tris(2-mercapto-1-adamantylimidazolyl)hydroborato sodium complexes: analysis of [Tm(R)] ligand coordination modes and conformations.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10852","10865","10.1039/c4dt01271b","","","0.71073","MoKα","","0.1606","0.0681","","","0.0881","0.1026","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031203","10.2154","0.001","11.6483","0.0012","36.498","0.004","90","","90","","90","","4343","0.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H66 B N6 Na O4 S3 -","- C37 H66 B N6 Na O4 S3 -","- C148 H264 B4 N24 Na4 O16 S12 -","4","1","","Kreider-Mueller, Ava; Rong, Yi; Owen, Jonathan S.; Parkin, Gerard","Molecular structures of tris(2-mercapto-1-tert-butylimidazolyl)hydroborato and tris(2-mercapto-1-adamantylimidazolyl)hydroborato sodium complexes: analysis of [Tm(R)] ligand coordination modes and conformations.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10852","10865","10.1039/c4dt01271b","","","0.71073","MoKα","","0.0763","0.0573","","","0.1278","0.1379","","","","","","1.016","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031204","11.7817","0.0002","9.9864","0.0003","21.2165","0.0003","90","","101.519","0.002","90","","2445.99","0.09","100","1","100","1","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C24 H54 Mn8 O47 -","- C24 H52 Mn8 O47.01 -","- C48 H104 Mn16 O94.02 -","2","0.5","","Falvello, Larry R.; Forcén-Vázquez, Elena; Palacio, Fernando; Sanz, Sergio; Tomás, Milagros","A discrete neutral transition-metal citrate cubane with an M4O4 core; coordinative versatility of the [M(II)4(citrate)4](8-) fragment.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10700","10704","10.1039/c4dt01085j","","","0.71073","MoKα","","0.0155","0.0154","","","0.0402","0.0402","","","","","","1.067","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031205","8.519","0.002","9.763","0.003","22.676","0.006","93.901","0.008","94.815","0.009","99.624","0.009","1846.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Diacetatobis(tetradecylamine)copper(II)","","","- C32 H70 Cu N2 O5 -","- C32 H68 Cu N2 O5 -","- C64 H136 Cu2 N4 O10 -","2","1","","Ganguly, Mainak; Panigrahi, Sudipa; Chandrakumar, K. R. S.; Sasmal, Anup Kumar; Pal, Anjali; Pal, Tarasankar","Ligand chain length conveys thermochromism.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11624","11636","10.1039/c4dt00769g","","","0.71073","MoKα","","0.1071","0.0563","","","0.1422","0.176","","","","","","0.961","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031206","19.8832","0.0005","20.2082","0.0005","14.8191","0.0004","90","","128.153","0.001","90","","4682.3","0.2","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C51 H44 F3 N O4 P2 Pt S -","- C51 H38 F3 N O4 P2 Pt S -","- C204 H152 F12 N4 O16 P8 Pt4 S4 -","4","0.5","","Moussa, Jamal; Cheminel, Thomas; Freeman, Gemma R.; Chamoreau, Lise-Marie; Williams, J. A. Gareth; Amouri, Hani","An unprecedented cyclometallated platinum(ii) complex incorporating a phosphinine co-ligand: synthesis and photoluminescence behaviour.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8162","8165","10.1039/c4dt00589a","","","0.71073","MoKα","","0.0286","0.0253","","","0.0692","0.0721","","","","","","1.103","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031207","16.268","0.003","12.616","0.003","15.815","0.003","90","","90","","90","","3245.8","1.2","223","2","223","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H13 Cl3 Fe N5 O -","- C12 H13 Cl3 Fe N5 O -","- C96 H104 Cl24 Fe8 N40 O8 -","8","2","","Fang, Yang-Yang; Gong, Wei-Jie; Shang, Xiu-Juan; Li, Hong-Xi; Gao, Jun; Lang, Jian-Ping","Synthesis and structure of a ferric complex of 2,6-di(1H-pyrazol-3-yl)pyridine and its excellent performance in the redox-controlled living ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8282","8289","10.1039/c4dt00475b","","","0.71073","MoKα","","0.0712","0.0623","","","0.1348","0.1437","","","","","","1.114","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031208","10.221","0.002","17.195","0.003","7.9908","0.0016","90","","104.4","0.03","90","","1360.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H7 Cl2 Fe N5 -","- C11 H7 Cl2 Fe N5 -","- C44 H28 Cl8 Fe4 N20 -","4","0.5","","Fang, Yang-Yang; Gong, Wei-Jie; Shang, Xiu-Juan; Li, Hong-Xi; Gao, Jun; Lang, Jian-Ping","Synthesis and structure of a ferric complex of 2,6-di(1H-pyrazol-3-yl)pyridine and its excellent performance in the redox-controlled living ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8282","8289","10.1039/c4dt00475b","","","0.71073","MoKα","","0.0441","0.0372","","","0.0971","0.1012","","","","","","0.897","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031209","12.619","0.003","21.772","0.007","14.394","0.004","90","","110.464","0.005","90","","3705.1","1.8","141","2","141","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C176 H152 N24 O16 -","8","2","","Yuan, Guozan; Shan, Weilong; Liu, Bin; Rong, Lulu; Zhang, Liyan; Zhang, Hui; Wei, Xianwen","Three Mn(ii) coordination polymers with a bispyridyl-based quinolinate ligand: the anion-controlled tunable structural and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9777","9785","10.1039/c4dt00877d","","","0.71073","MoKα","","0.1576","0.0683","","","0.178","0.2532","","","","","","1.026","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031210","14.623","0.011","23.721","0.016","15.965","0.011","90","","108.95","0.016","90","","5238","6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H88 Mn3 N18 O8 -","- C120 H88 Mn3 N18 O8 -","- C240 H176 Mn6 N36 O16 -","2","0.5","","Yuan, Guozan; Shan, Weilong; Liu, Bin; Rong, Lulu; Zhang, Liyan; Zhang, Hui; Wei, Xianwen","Three Mn(ii) coordination polymers with a bispyridyl-based quinolinate ligand: the anion-controlled tunable structural and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9777","9785","10.1039/c4dt00877d","","","0.71073","MoKα","","0.26","0.0965","","","0.2299","0.3213","","","","","","0.909","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031211","13.073","0.005","10.287","0.004","14.362","0.006","90","","114.177","0.007","90","","1762","1.2","141","2","141","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 Mn N6 O2 -","- C40 H28 Mn N6 O2 -","- C80 H56 Mn2 N12 O4 -","2","0.5","","Yuan, Guozan; Shan, Weilong; Liu, Bin; Rong, Lulu; Zhang, Liyan; Zhang, Hui; Wei, Xianwen","Three Mn(ii) coordination polymers with a bispyridyl-based quinolinate ligand: the anion-controlled tunable structural and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9777","9785","10.1039/c4dt00877d","","","0.71073","MoKα","","0.1243","0.0485","","","0.0945","0.1205","","","","","","0.95","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031212","14.1597","0.0009","10.5162","0.0007","24.8704","0.0015","90","","90","","90","","3703.4","0.4","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C40 H28 Mn N6 O4 -","- C40 H28 Mn N6 O4 -","- C160 H112 Mn4 N24 O16 -","4","1","","Yuan, Guozan; Shan, Weilong; Liu, Bin; Rong, Lulu; Zhang, Liyan; Zhang, Hui; Wei, Xianwen","Three Mn(ii) coordination polymers with a bispyridyl-based quinolinate ligand: the anion-controlled tunable structural and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9777","9785","10.1039/c4dt00877d","","","1.54178","CuKα","","0.0869","0.0734","","","0.2064","0.2209","","","","","","1.033","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031213","23.689","0.004","8.2691","0.0012","17.134","0.003","90","","112.922","0.004","90","","3091.3","0.9","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H34 Ag2 I6 N8 O Pb2 -","- C8 H32 Ag2 I6 N8 O Pb2 -","- C32 H128 Ag8 I24 N32 O4 Pb8 -","4","0.5","","Shen, Yali; Lu, Jialin; Tang, Chunying; Fang, Wang; Jia, Dingxian; Zhang, Yong","Syntheses and properties of 2-D and 3-D Pb-Ag heterometallic iodides decorated with ethylene polyamines at the Pb(ii) center.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9116","9125","10.1039/c4dt00358f","","","0.71075","MoKα","","0.0447","0.0369","","","0.0791","0.0808","","","","","","0.935","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031214","17.688","0.005","16.817","0.004","12.662","0.003","90","","111.853","0.006","90","","3495.8","1.5","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H20 Ag I3 N4 Pb -","- C6 H9 Ag I3 N4 Pb -","- C48 H72 Ag8 I24 N32 Pb8 -","8","1","","Shen, Yali; Lu, Jialin; Tang, Chunying; Fang, Wang; Jia, Dingxian; Zhang, Yong","Syntheses and properties of 2-D and 3-D Pb-Ag heterometallic iodides decorated with ethylene polyamines at the Pb(ii) center.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9116","9125","10.1039/c4dt00358f","","","0.71073","MoKα","","0.0733","0.0372","","","0.0965","0.1526","","","","","","0.982","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031215","12.1274","0.0016","10.2793","0.0014","12.8221","0.0018","90","","91.196","0.004","90","","1598.1","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Ag I3 N2 Pb -","- C6 H16 Ag I3 N2 Pb -","- C24 H64 Ag4 I12 N8 Pb4 -","4","1","","Shen, Yali; Lu, Jialin; Tang, Chunying; Fang, Wang; Jia, Dingxian; Zhang, Yong","Syntheses and properties of 2-D and 3-D Pb-Ag heterometallic iodides decorated with ethylene polyamines at the Pb(ii) center.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9116","9125","10.1039/c4dt00358f","","","0.7107","MoKα","","0.052","0.0344","","","0.0758","0.1116","","","","","","1.013","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031216","12.28","0.003","8.194","0.002","16.847","0.004","90","","106.311","0.006","90","","1627","0.7","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Ag I3 N4 Pb -","- C6 H18 Ag I3 N4 Pb -","- C24 H72 Ag4 I12 N16 Pb4 -","4","1","","Shen, Yali; Lu, Jialin; Tang, Chunying; Fang, Wang; Jia, Dingxian; Zhang, Yong","Syntheses and properties of 2-D and 3-D Pb-Ag heterometallic iodides decorated with ethylene polyamines at the Pb(ii) center.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9116","9125","10.1039/c4dt00358f","","","0.71073","MoKα","","0.0608","0.0524","","","0.1582","0.1464","","","","","","1.082","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031217","10.7925","0.0019","12.842","0.002","15.722","0.003","90","","90","","90","","2179","0.7","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H23 Ag2 I4 N5 Pb -","- C8 H23 Ag2 I4 N5 Pb -","- C32 H92 Ag8 I16 N20 Pb4 -","4","1","","Shen, Yali; Lu, Jialin; Tang, Chunying; Fang, Wang; Jia, Dingxian; Zhang, Yong","Syntheses and properties of 2-D and 3-D Pb-Ag heterometallic iodides decorated with ethylene polyamines at the Pb(ii) center.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9116","9125","10.1039/c4dt00358f","","","0.7107","MoKα","","0.0706","0.0579","","","0.1158","0.1212","","","","","","1.114","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031218","12.4185","0.0011","12.4185","0.0011","32.218","0.003","90","","90","","120","","4303","0.7","223","2","223","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C26 H78 Ag8 I16 N18 O6 Pb6 -","- C26 H78 Ag8 I16 N18 O6 Pb6 -","- C52 H156 Ag16 I32 N36 O12 Pb12 -","2","0.333333","","Shen, Yali; Lu, Jialin; Tang, Chunying; Fang, Wang; Jia, Dingxian; Zhang, Yong","Syntheses and properties of 2-D and 3-D Pb-Ag heterometallic iodides decorated with ethylene polyamines at the Pb(ii) center.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9116","9125","10.1039/c4dt00358f","","","0.71075","MoKα","","0.0396","0.0358","","","0.0609","0.0621","","","","","","1.023","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031219","15.2671","0.0002","8.0205","0.0002","15.8597","0.0003","90","","100.005","0.001","90","","1912.48","0.07","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Chlorido(η^6^-p-cymene)(clioquinolato)ruthenium(II)","Chlorido(η^6^-p-isopropyltoluene)(5-chloro-7-iodoquinolin-8-olato)ruthenium(II)","","- C19 H18 Cl2 I N O Ru -","- C19 H18 Cl2 I N O Ru -","- C76 H72 Cl8 I4 N4 O4 Ru4 -","4","1","","Gobec, Martina; Kljun, Jakob; Sosič, Izidor; Mlinarič-Raščan, Irena; Uršič, Matija; Gobec, Stanislav; Turel, Iztok","Structural characterization and biological evaluation of a clioquinol-ruthenium complex with copper-independent antileukaemic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9045","9051","10.1039/c4dt00463a","","","1.54178","CuKα","","0.0453","0.0418","","","0.1132","0.1183","","","","","","1.032","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031220","8.914","0.0005","22.767","0.002","14.1571","0.0012","90","","94.96","0.006","90","","2862.4","0.4","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 B2 N2 -","- C34 H38 B2 N2 -","- C136 H152 B8 N8 -","4","1","","Hejda, Martin; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Reduction of C,N-chelated chloroborane: straightforward formation of the unprecedented 1H-2,1-benzazaborolyl potassium salt.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9012","9015","10.1039/c4dt00812j","","","0.71073","MoKα","","0.0835","0.0547","","","0.112","0.1289","","","","","","1.108","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031221","10.58","0.0004","10.1062","0.0006","10.651","0.0006","90","","117.187","0.003","90","","1013.02","0.1","150","1","150","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H27 B K N O -","- C21 H27 B K N O -","- C42 H54 B2 K2 N2 O2 -","2","1","","Hejda, Martin; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Reduction of C,N-chelated chloroborane: straightforward formation of the unprecedented 1H-2,1-benzazaborolyl potassium salt.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9012","9015","10.1039/c4dt00812j","","","0.71073","MoKα","","0.0466","0.0386","","","0.0799","0.0867","","","","","","1.155","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031222","8.181","0.0005","11.8551","0.0007","15.389","0.0009","106.546","0.005","95.863","0.005","95.354","0.006","1411.47","0.15","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 B2 N2 -","- C34 H38 B2 N2 -","- C68 H76 B4 N4 -","2","1","","Hejda, Martin; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Reduction of C,N-chelated chloroborane: straightforward formation of the unprecedented 1H-2,1-benzazaborolyl potassium salt.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9012","9015","10.1039/c4dt00812j","","","0.71073","MoKα","","0.0761","0.0502","","","0.1009","0.1165","","","","","","1.13","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031223","20.4136","0.0003","20.4136","0.0003","19.3775","0.0003","90","","90","","90","","8074.9","0.2","108","2","108","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C40 H32 Cu2 F4 N6 O8 -","- C37 H27.5 Cu2 F4 N4.5 O8 -","- C296 H220 Cu16 F32 N36 O64 -","8","1","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Takeda, Sadamu; Akutagawa, Tomoyuki","Crystal structures, CO2 adsorption, and dielectric properties of [Cu(ii)2(R-benzoate)4(pyrazine)]∞polymers (R = m-F, 2,3-F2, m-Cl, and m-CH3).","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9081","9089","10.1039/c4dt00258j","","","1.54187","CuKα","","0.0833","0.0583","","","0.1333","0.1432","","","","","","0.96","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031224","20.2293","0.0004","20.5119","0.0004","19.3078","0.0003","90","","90","","90","","8011.6","0.3","108","2","108","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C40 H28 Cu2 F8 N6 O8 -","- C36 H22 Cu2 F8 N4 O8 -","- C288 H176 Cu16 F64 N32 O64 -","8","1","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Takeda, Sadamu; Akutagawa, Tomoyuki","Crystal structures, CO2 adsorption, and dielectric properties of [Cu(ii)2(R-benzoate)4(pyrazine)]∞polymers (R = m-F, 2,3-F2, m-Cl, and m-CH3).","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9081","9089","10.1039/c4dt00258j","","","1.54187","CuKα","","0.1642","0.1104","","","0.3127","0.3547","","","","","","1.107","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031225","19.765","0.003","38.589","0.006","9.739","0.0015","90","","90","","90","","7428","2","100","","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H38 Cu2 N4 O8 -","- C40 H38 Cu2 N4 O8 -","- C320 H304 Cu16 N32 O64 -","8","0.5","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Takeda, Sadamu; Akutagawa, Tomoyuki","Crystal structures, CO2 adsorption, and dielectric properties of [Cu(ii)2(R-benzoate)4(pyrazine)]∞polymers (R = m-F, 2,3-F2, m-Cl, and m-CH3).","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9081","9089","10.1039/c4dt00258j","","","0.71069","MoKα","","","0.0215","","","","0.0556","","","","","","1.031","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031226","9.733","0.00019","19.3651","0.0006","10.39958","0.00019","90","","107.896","0.0011","90","","1865.28","0.08","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cl4 Cu2 N4 O8 -","- C36 H26 Cl4 Cu2 N4 O8 -","- C72 H52 Cl8 Cu4 N8 O16 -","2","0.5","","Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Noro, Shin-Ichiro; Nakamura, Takayoshi; Takeda, Sadamu; Akutagawa, Tomoyuki","Crystal structures, CO2 adsorption, and dielectric properties of [Cu(ii)2(R-benzoate)4(pyrazine)]∞polymers (R = m-F, 2,3-F2, m-Cl, and m-CH3).","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9081","9089","10.1039/c4dt00258j","","","1.54187","CuKα","","","0.082","","","","0.2492","","","","","","1.137","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031227","13.7152","0.0008","19.8033","0.001","18.2657","0.0015","90","","108.965","0.001","90","","4691.8","0.5","113","","113","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54.22 H54.66 Cl Mo N0.78 O P4 -","- C54.22 H47 Cl Mo N0.78 O P4 -","- C216.88 H188 Cl4 Mo4 N3.12 O4 P16 -","4","1","","Yasuda, Ryoga; Iwasa, Kentaro; Niikura, Fumiya; Seino, Hidetake; Mizobe, Yasushi","A molybdenum complex bearing a tetraphosphine ligand as a precursor for heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9344","9355","10.1039/c4dt00581c","","","0.7107","MoKα","","","0.0487","","","","0.1664","","","","","","1.006","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031228","13.665","0.005","19.171","0.006","21.184","0.007","90","","96.763","0.0015","90","","5511","3","113","","113","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54.7 H52.4 Cl5.4 F3 Mo O3 P4 S -","- C54.7 H51 Cl5.4 F3 Mo O3 P4 S -","- C218.8 H204 Cl21.6 F12 Mo4 O12 P16 S4 -","4","1","","Yasuda, Ryoga; Iwasa, Kentaro; Niikura, Fumiya; Seino, Hidetake; Mizobe, Yasushi","A molybdenum complex bearing a tetraphosphine ligand as a precursor for heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9344","9355","10.1039/c4dt00581c","","","0.7107","MoKα","","","0.0577","","","","0.1717","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031229","9.8699","0.0016","31.291","0.005","15.336","0.003","90","0.0011","95.219","0.0011","90","0.0011","4716.7","1.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H48 I2 Mo P4 -","- C51 H48 I2 Mo P4 -","- C204 H192 I8 Mo4 P16 -","4","1","","Yasuda, Ryoga; Iwasa, Kentaro; Niikura, Fumiya; Seino, Hidetake; Mizobe, Yasushi","A molybdenum complex bearing a tetraphosphine ligand as a precursor for heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9344","9355","10.1039/c4dt00581c","","","0.7107","MoKα","","","0.0694","","","","0.1881","","","","","","1.023","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031230","12.226","0.0018","14.313","0.003","20.433","0.004","86.969","0.006","80.372","0.005","67.421","0.005","3254.8","1.1","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H72 Cl8 Mo P4 Ru -","- C66 H69.6 Cl8 Mo P4 Ru -","- C132 H139.2 Cl16 Mo2 P8 Ru2 -","2","1","","Yasuda, Ryoga; Iwasa, Kentaro; Niikura, Fumiya; Seino, Hidetake; Mizobe, Yasushi","A molybdenum complex bearing a tetraphosphine ligand as a precursor for heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9344","9355","10.1039/c4dt00581c","","","0.7107","MoKα","","","0.0402","","","","0.1175","","","","","","1.048","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031231","16.1023","0.0005","19.8797","0.0005","17.3276","0.0005","90","","104.959","0.0005","90","","5358.8","0.3","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H63 Cl2 Ir Mo P4 -","- C61 H63 Cl2 Ir Mo P4 -","- C244 H252 Cl8 Ir4 Mo4 P16 -","4","1","","Yasuda, Ryoga; Iwasa, Kentaro; Niikura, Fumiya; Seino, Hidetake; Mizobe, Yasushi","A molybdenum complex bearing a tetraphosphine ligand as a precursor for heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9344","9355","10.1039/c4dt00581c","","","0.7107","MoKα","","","0.0311","","","","0.1034","","","","","","1.047","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031232","12.172","0.008","18.941","0.011","30.321","0.019","74.52","0.015","87.804","0.018","74.133","0.015","6476","7","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C65.5 H70 Cl8 Mo P4 Ru -","- C65.5 H66 Cl8 Mo P4 Ru -","- C262 H264 Cl32 Mo4 P16 Ru4 -","4","2","","Yasuda, Ryoga; Iwasa, Kentaro; Niikura, Fumiya; Seino, Hidetake; Mizobe, Yasushi","A molybdenum complex bearing a tetraphosphine ligand as a precursor for heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9344","9355","10.1039/c4dt00581c","","","0.7107","MoKα","","","0.0619","","","","0.1816","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031233","17.172","0.003","14.628","0.003","18.347","0.004","90","","107.483","0.0007","90","","4395.7","1.5","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.75 H44.5 Cl2.5 Mo P4 Pd -","- C45.75 H44.5 Cl2.5 Mo P4 Pd -","- C183 H178 Cl10 Mo4 P16 Pd4 -","4","1","","Yasuda, Ryoga; Iwasa, Kentaro; Niikura, Fumiya; Seino, Hidetake; Mizobe, Yasushi","A molybdenum complex bearing a tetraphosphine ligand as a precursor for heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9344","9355","10.1039/c4dt00581c","","","0.7107","MoKα","","","0.0384","","","","0.1113","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031234","11.5372","0.0009","21.009","0.002","14.3469","0.0012","90","","104.884","0.004","90","","3360.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cu F6 N20 P -","- C26 H24 Cu F6 N20 P -","- C104 H96 Cu4 F24 N80 P4 -","4","1","","Hui, Alice K.; Lord, Richard L.; Caulton, Kenneth G.","In search of redox non-innocence between a tetrazine pincer ligand and monovalent copper.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7958","7963","10.1039/c3dt52490f","","","0.71073","MoKα","","0.0664","0.0435","","","0.1019","0.1115","","","","","","1.034","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031235","8.7946","0.0005","12.823","0.0008","13.5008","0.0008","76.222","0.001","85.663","0.001","72.725","0.001","1411.99","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Co N4 O9 -","- C26 H28 Co N4 O9 -","- C52 H56 Co2 N8 O18 -","2","1","","Wang, Xiu-Li; Luan, Jian; Lin, Hong-Yan; Le, Mao; Liu, Guo-Cheng","The various architectures and properties of a series of coordination polymers tuned by the central metals.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","8072","8082","10.1039/c4dt00064a","","","0.71073","MoKα","","0.0483","0.0451","","","0.1292","0.1315","","","","","","1.047","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031236","8.7723","0.0003","12.7797","0.0005","13.454","0.0005","76.192","0.001","85.517","0.001","72.723","0.001","1398.57","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N4 Ni O9 -","- C26 H28 N4 Ni O9 -","- C52 H56 N8 Ni2 O18 -","2","1","","Wang, Xiu-Li; Luan, Jian; Lin, Hong-Yan; Le, Mao; Liu, Guo-Cheng","The various architectures and properties of a series of coordination polymers tuned by the central metals.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","8072","8082","10.1039/c4dt00064a","","","0.71073","MoKα","","0.0472","0.0436","","","0.1249","0.1273","","","","","","1.063","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031237","19.719","0.003","9.02","0.0012","16.077","0.002","90","","105.865","0.002","90","","2750.6","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Cu N4 O6 -","- C26 H24 Cu N4 O6 -","- C104 H96 Cu4 N16 O24 -","4","0.5","","Wang, Xiu-Li; Luan, Jian; Lin, Hong-Yan; Le, Mao; Liu, Guo-Cheng","The various architectures and properties of a series of coordination polymers tuned by the central metals.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","8072","8082","10.1039/c4dt00064a","","","0.71073","MoKα","","0.0844","0.0559","","","0.1167","0.1265","","","","","","1.02","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031238","9.3074","0.0005","11.8484","0.0006","13.2041","0.0006","108.805","0.001","97.735","0.001","112.442","0.001","1217.51","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N4 O7 Zn -","- C26 H26 N4 O7 Zn -","- C52 H52 N8 O14 Zn2 -","2","1","","Wang, Xiu-Li; Luan, Jian; Lin, Hong-Yan; Le, Mao; Liu, Guo-Cheng","The various architectures and properties of a series of coordination polymers tuned by the central metals.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","8072","8082","10.1039/c4dt00064a","","","0.71073","MoKα","","0.0282","0.0258","","","0.0744","0.0756","","","","","","1.038","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031239","7.8559","0.0004","11.5298","0.0006","16.1232","0.0008","82.512","0.001","81.053","0.001","73.302","0.001","1376.12","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cd N4 O7 -","- C26 H26 Cd N4 O7 -","- C52 H52 Cd2 N8 O14 -","2","1","","Wang, Xiu-Li; Luan, Jian; Lin, Hong-Yan; Le, Mao; Liu, Guo-Cheng","The various architectures and properties of a series of coordination polymers tuned by the central metals.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","8072","8082","10.1039/c4dt00064a","","","0.71073","MoKα","","0.0234","0.0211","","","0.0559","0.0569","","","","","","1.02","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031240","12.01","0.005","14.987","0.005","13.483","0.005","90","0.005","103.165","0.005","90","0.005","2363.1","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N4 Ni -","- C28 H30 N4 Ni -","- C112 H120 N16 Ni4 -","4","1","","Derry Holaday, M. G.; Tarafdar, Gourav; Kumar, Arun; Reddy, M. L. P.; Srinivasan, A.","Exploring anagostic interactions in 5,15-porphodimethene metal complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7699","7703","10.1039/c3dt53307g","","","0.71073","MoKα","","0.0705","0.0462","","","0.1348","0.1484","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031241","16.5817","0.0015","14.4709","0.0012","20.188","0.002","90","","99.123","0.005","90","","4782.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N4 Pd -","- C28 H30 N4 Pd -","- C224 H240 N32 Pd8 -","8","2","","Derry Holaday, M. G.; Tarafdar, Gourav; Kumar, Arun; Reddy, M. L. P.; Srinivasan, A.","Exploring anagostic interactions in 5,15-porphodimethene metal complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7699","7703","10.1039/c3dt53307g","","","0.71073","MoKα","","0.0707","0.0399","","","0.1004","0.1299","","","","","","1.09","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7031242","12.1113","0.0005","12.3679","0.0006","16.5343","0.0007","90.498","0.003","103.219","0.003","103.893","0.003","2335.23","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 N4 Zn -","- C28 H30 N4 Zn -","- C112 H120 N16 Zn4 -","4","2","","Derry Holaday, M. G.; Tarafdar, Gourav; Kumar, Arun; Reddy, M. L. P.; Srinivasan, A.","Exploring anagostic interactions in 5,15-porphodimethene metal complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7699","7703","10.1039/c3dt53307g","","","0.71073","MoKα","","0.0994","0.0758","","","0.2315","0.2463","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031243","11.925","0.005","13.851","0.005","15.547","0.005","90","0.005","103.945","0.005","90","0.005","2492.3","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N4 O Zn -","- C28 H32 N4 O Zn -","- C112 H128 N16 O4 Zn4 -","4","1","","Derry Holaday, M. G.; Tarafdar, Gourav; Kumar, Arun; Reddy, M. L. P.; Srinivasan, A.","Exploring anagostic interactions in 5,15-porphodimethene metal complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7699","7703","10.1039/c3dt53307g","","","0.71073","MoKα","","0.0703","0.0384","","","0.0861","0.0967","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031244","9.4997","0.0003","12.1258","0.0004","11.8494","0.0004","90","","100.933","0.003","90","","1340.18","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Cl N5 Ni O -","- C11 H14 Cl N5 Ni O -","- C44 H56 Cl4 N20 Ni4 O4 -","4","1","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mahata, Arup; Pathak, Biswarup; Mobin, Shaikh M.; Carrella, Luca M.; Rentschler, Eva; Mukhopadhyay, Suman","Limiting nuclearity in formation of polynuclear metal complexes through [2 + 3] cycloaddition: synthesis and magnetic properties of tri- and pentanuclear metal complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","8083","8093","10.1039/c4dt00378k","","","0.71073","MoKα","","0.0492","0.0478","","","0.1408","0.1416","","","","","","1.153","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031245","11.0194","0.0011","12.2772","0.0012","12.34","0.0013","79.47","0.008","76.251","0.009","79.852","0.008","1578.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H31 Cl N11 Ni1.5 O2 -","- C28 H31 Cl N11 Ni1.5 O2 -","- C56 H62 Cl2 N22 Ni3 O4 -","2","1","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mahata, Arup; Pathak, Biswarup; Mobin, Shaikh M.; Carrella, Luca M.; Rentschler, Eva; Mukhopadhyay, Suman","Limiting nuclearity in formation of polynuclear metal complexes through [2 + 3] cycloaddition: synthesis and magnetic properties of tri- and pentanuclear metal complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","8083","8093","10.1039/c4dt00378k","","","0.71073","MoKα","","0.0702","0.0536","","","0.142","0.1617","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031246","15.6896","0.0018","15.8934","0.0017","16.529","0.0015","76.751","0.009","89.705","0.009","69.725","0.01","3750.9","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H58 Cl2 N26 Ni3 O4 -","- C52 H58 Cl2 N26 Ni3 O4 -","- C104 H116 Cl4 N52 Ni6 O8 -","2","1","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mahata, Arup; Pathak, Biswarup; Mobin, Shaikh M.; Carrella, Luca M.; Rentschler, Eva; Mukhopadhyay, Suman","Limiting nuclearity in formation of polynuclear metal complexes through [2 + 3] cycloaddition: synthesis and magnetic properties of tri- and pentanuclear metal complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","8083","8093","10.1039/c4dt00378k","","","0.71073","MoKα","","0.1108","0.078","","","0.2066","0.2328","","","","","","0.966","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031247","10.542","0.001","22.598","0.003","21.861","0.002","90","","91.357","0.009","90","","5206.4","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H72 Cl4 N28 Ni5 O8 -","- C76 H72 Cl4 N28 Ni5 O8 -","- C152 H144 Cl8 N56 Ni10 O16 -","2","0.5","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mahata, Arup; Pathak, Biswarup; Mobin, Shaikh M.; Carrella, Luca M.; Rentschler, Eva; Mukhopadhyay, Suman","Limiting nuclearity in formation of polynuclear metal complexes through [2 + 3] cycloaddition: synthesis and magnetic properties of tri- and pentanuclear metal complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","8083","8093","10.1039/c4dt00378k","","","0.71073","MoKα","","0.1059","0.0763","","","0.207","0.2367","","","","","","0.985","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031248","9.3743","0.0004","11.2879","0.0005","13.1326","0.0005","86.495","0.003","74.555","0.004","74.73","0.004","1292.11","0.1","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 N O3 P Pt -","- C30 H24 N O3 P Pt -","- C60 H48 N2 O6 P2 Pt2 -","2","1","","Zhang, Bin; Zhang, Lina; Liu, Chunmei; Zhu, Yanyan; Tang, Mingsheng; Du, Chenxia; Song, Maoping","A platinum(ii) complex bearing deprotonated 2-(diphenylphosphino)benzoic acid for superior phosphorescence of monomers.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7704","7707","10.1039/c4dt00417e","","","0.7107","MoKα","","0.0397","0.0323","","","0.06","0.0638","","","","","","1.021","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031249","13.5063","0.0004","18.243","0.0005","30.9506","0.0015","90","","90","","90","","7626.1","0.5","291","2","291.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H32 Cl2 Ir N2 O2 P -","- C42 H32 Cl2 Ir N2 O2 P -","- C336 H256 Cl16 Ir8 N16 O16 P8 -","8","1","","Zhang, Bin; Zhang, Lina; Liu, Chunmei; Zhu, Yanyan; Tang, Mingsheng; Du, Chenxia; Song, Maoping","A platinum(ii) complex bearing deprotonated 2-(diphenylphosphino)benzoic acid for superior phosphorescence of monomers.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7704","7707","10.1039/c4dt00417e","","","0.7107","MoKα","","0.0699","0.0451","","","0.101","0.1139","","","","","","1.042","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031250","8.8749","0.0003","7.4104","0.0002","15.2333","0.0005","90","","102.172","0.003","90","","979.32","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H8 Co N3 O7 P -","- C3 H8 Co N3 O7 P -","- C12 H32 Co4 N12 O28 P4 -","4","1","","Liu, Lin; Luo, Daibing; Li, Defu; Lin, Zhien","Solvent-free synthesis of new metal phosphite-oxalates with open-framework structures.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7695","7698","10.1039/c4dt00202d","","","0.71073","MoKα","","0.0322","0.0272","","","0.0668","0.0689","","","","","","1.083","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031251","9.7205","0.0006","9.7468","0.0006","10.8926","0.0005","83.989","0.004","75.467","0.005","78.545","0.005","977.45","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H17 Mn2.5 N6 O15 P -","- C7 H13 Mn2.5 N6 O15 P -","- C14 H26 Mn5 N12 O30 P2 -","2","1","","Liu, Lin; Luo, Daibing; Li, Defu; Lin, Zhien","Solvent-free synthesis of new metal phosphite-oxalates with open-framework structures.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7695","7698","10.1039/c4dt00202d","","","0.71073","MoKα","","0.045","0.036","","","0.0874","0.093","","","","","","0.981","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031252","6.906","0.004","7.641","0.004","26.901","0.014","90","","89.517","0.01","90","","1419.5","1.3","293.1","","293.1","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N5 -","- C16 H20 N5 -","- C64 H80 N20 -","4","1","","Breedlove, B. K.; Kandel, R.; Ahsan, H. Md; Yamashita, M.","4-Pyridyl-substituted azacycloalkanes with multiple donor sites prepared via a solvent-free, one-pot method for use in electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7683","7686","10.1039/c4dt00240g","","","0.71075","MoKα","","","0.05","","","","0.1669","","","","","","0.978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031253","10.277","0.005","14.718","0.005","25.634","0.005","90","0.005","90","0.005","90","0.005","3877","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H24 N6 O -","- C21 H26 N6 O -","- C168 H208 N48 O8 -","8","1","","Breedlove, B. K.; Kandel, R.; Ahsan, H. Md; Yamashita, M.","4-Pyridyl-substituted azacycloalkanes with multiple donor sites prepared via a solvent-free, one-pot method for use in electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7683","7686","10.1039/c4dt00240g","","","0.71073","MoKα","","0.0337","0.0264","","","0.0648","0.0694","","","","","","1.025","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031254","8.456","0.003","15.508","0.005","9.731","0.003","90","","108.424","0.004","90","","1210.7","0.7","103.1","","103.15","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H32 N8 -","- C28 H32 N8 -","- C56 H64 N16 -","2","0.5","","Breedlove, B. K.; Kandel, R.; Ahsan, H. Md; Yamashita, M.","4-Pyridyl-substituted azacycloalkanes with multiple donor sites prepared via a solvent-free, one-pot method for use in electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7683","7686","10.1039/c4dt00240g","","","0.71075","MoKα","","","0.0395","","","","0.1126","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031255","8.923","0.002","12.881","0.003","13.548","0.003","78.191","0.009","79.149","0.008","75.802","0.008","1461.9","0.6","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H94 N18 O8 -","- C54 H94 N18 O8 -","- C54 H94 N18 O8 -","1","0.5","","Breedlove, B. K.; Kandel, R.; Ahsan, H. Md; Yamashita, M.","4-Pyridyl-substituted azacycloalkanes with multiple donor sites prepared via a solvent-free, one-pot method for use in electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7683","7686","10.1039/c4dt00240g","","","0.71073","MoKα","","0.0793","0.0637","","","0.1772","0.1916","","","","","","1.104","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031256","50.7","0.02","7.723","0.004","14.397","0.007","90","","92.112","0.007","90","","5633","5","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Fe I N O5 -","- C12 H10 Fe I N O5 -","- C192 H160 Fe16 I16 N16 O80 -","16","2","","Song, Li-Cheng; Hu, Fu-Qiang; Wang, Miao-Miao; Xie, Zhao-Jun; Xu, Kai-Kai; Song, Hai-Bin","Synthesis, structural characterization, and some properties of 2-acylmethyl-6-ester group-difunctionalized pyridine-containing iron complexes related to the active site of [Fe]-hydrogenase.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","8062","8071","10.1039/c4dt00335g","","","0.71073","MoKα","","0.0249","0.0204","","","0.0462","0.0472","","","","","","0.992","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031257","8.404","0.004","20.146","0.009","10.462","0.005","90","","105.231","0.009","90","","1709.1","1.4","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Fe N2 O5 S -","- C17 H14 Fe N2 O5 S -","- C68 H56 Fe4 N8 O20 S4 -","4","1","","Song, Li-Cheng; Hu, Fu-Qiang; Wang, Miao-Miao; Xie, Zhao-Jun; Xu, Kai-Kai; Song, Hai-Bin","Synthesis, structural characterization, and some properties of 2-acylmethyl-6-ester group-difunctionalized pyridine-containing iron complexes related to the active site of [Fe]-hydrogenase.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","8062","8071","10.1039/c4dt00335g","","","0.71073","MoKα","","0.0317","0.027","","","0.0738","0.0756","","","","","","1.041","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031258","12.505","0.005","8.365","0.003","17.836","0.007","90","","109.982","0.006","90","","1753.4","1.2","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Fe I N O5 -","- C17 H12 Fe I N O5 -","- C68 H48 Fe4 I4 N4 O20 -","4","1","","Song, Li-Cheng; Hu, Fu-Qiang; Wang, Miao-Miao; Xie, Zhao-Jun; Xu, Kai-Kai; Song, Hai-Bin","Synthesis, structural characterization, and some properties of 2-acylmethyl-6-ester group-difunctionalized pyridine-containing iron complexes related to the active site of [Fe]-hydrogenase.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","8062","8071","10.1039/c4dt00335g","","","0.71073","MoKα","","0.024","0.0189","","","0.0373","0.038","","","","","","0.995","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031259","8.986","0.0018","18.68","0.004","12.028","0.002","90","","90.99","0.03","90","","2018.7","0.7","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Fe N2 O5 S -","- C22 H16 Fe N2 O5 S -","- C88 H64 Fe4 N8 O20 S4 -","4","1","","Song, Li-Cheng; Hu, Fu-Qiang; Wang, Miao-Miao; Xie, Zhao-Jun; Xu, Kai-Kai; Song, Hai-Bin","Synthesis, structural characterization, and some properties of 2-acylmethyl-6-ester group-difunctionalized pyridine-containing iron complexes related to the active site of [Fe]-hydrogenase.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","8062","8071","10.1039/c4dt00335g","","","0.71073","MoKα","","0.0574","0.0519","","","0.1363","0.1407","","","","","","1.112","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031260","6.7128","0.0003","9.8698","0.0004","9.9998","0.0004","76.86","0.003","83.2","0.003","73.332","0.003","617.07","0.05","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- B10 Ba2 O17 -","- B10 Ba2 O17 -","- B20 Ba4 O34 -","2","1","","Liu, Lili; Su, Xin; Yang, Yun; Pan, Shilie; Dong, Xiaoyu; Han, Shujuan; Zhang, Min; Kang, Jing; Yang, Zhihua","Ba2B10O17: a new centrosymmetric alkaline-earth metal borate with a deep-UV cut-off edge.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8905","8910","10.1039/c4dt00546e","","","0.71073","MoKα","","0.0299","0.0243","","","0.0562","0.0601","","","","","","1.021","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031261","9.3436","0.0006","10.3905","0.0007","16.706","0.0013","93.176","0.001","104.556","0.001","91.995","0.001","1565.43","0.19","100","2","100","2","","","","","","","","6","P 1","P 1","1","","1,3-Di-<i>tert</i>-butyl-2,4-bis-<i>tert</i>-butylamino- 2-methyl-4-selenoxo-4λ^5^-[1,3,2,4]diazadiphosphetidin- 2-ium iodide toluene solvate","","- C24 H49 I N4 P2 Se -","- C24 H49 I N4 P2 Se -","- C48 H98 I2 N8 P4 Se2 -","2","2","","Balakrishna, Maravanji S.; Suresh, Devarajan; Ananthnag, Guddekoppa S.; Mague, Joel T.","Quaternization and oxidation reactions of cyclodiphosphazane derivatives and their copper(i) and gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8835","8848","10.1039/c4dt00801d","","","0.71073","MoKα","","0.0295","0.0272","","","0.0554","0.056","","","","","","0.979","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031262","32.556","0.003","9.5372","0.001","21.679","0.002","90","","107.558","0.002","90","","6417.6","1.1","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","4-[1,3-di-<i>tert</i>-butyl-4-(4,4-dimethylpiperazin-4-ium-1- yl)-2,4-diselanylidene-1,3,2λ^5^,4λ^5^-diazadiphosphedin-2- yl]-1,1-dimethylpiperazin-1-ium iodide hydrate","","- C20 H47 I2 N6 O0.5 P2 Se2 -","- C20 H47 I2 N6 O0.5 P2 Se2 -","- C160 H376 I16 N48 O4 P16 Se16 -","8","2","","Balakrishna, Maravanji S.; Suresh, Devarajan; Ananthnag, Guddekoppa S.; Mague, Joel T.","Quaternization and oxidation reactions of cyclodiphosphazane derivatives and their copper(i) and gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8835","8848","10.1039/c4dt00801d","","","0.71073","MoKα","","0.0652","0.0494","","","0.0987","0.1038","","","","","","1.151","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7031263","12.1752","0.0009","14.2395","0.0011","36.578","0.003","90","","94.632","0.001","90","","6320.8","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1,3-Di-<i>tert</i>-butyl-2,4-diselenoxy-2λ^5^,4λ^5^- [1,3,2,4]diazadiphosphetidin-2,4-di(yloxyethyl trimethylammonium) Iodode Hydrate","","- C18 H46 I2 N4 O3 P2 Se2 -","- C18 H46 I2 N4 O3 P2 Se2 -","- C144 H368 I16 N32 O24 P16 Se16 -","8","1","","Balakrishna, Maravanji S.; Suresh, Devarajan; Ananthnag, Guddekoppa S.; Mague, Joel T.","Quaternization and oxidation reactions of cyclodiphosphazane derivatives and their copper(i) and gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8835","8848","10.1039/c4dt00801d","","","0.71073","MoKα","","0.0283","0.025","","","0.0568","0.0579","","","","","","1.126","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031264","10.395","0.0007","29.9149","0.0018","17.8929","0.0011","90","","95.847","0.001","90","","5535.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-Triiodobis(1,3-di(<i>tert</i>-butyl)-2,4-bis(<i>tert</i>- butylamino)-2-methyl-[1,3,2,4]diazadiphosphetidin- 2-ium)-κ-P dicopper(I) iodide acetonitrile solvate","","- C36 H85 Cu2 I4 N9 P4 -","- C36 H85 Cu2 I4 N9 P4 -","- C144 H340 Cu8 I16 N36 P16 -","4","1","","Balakrishna, Maravanji S.; Suresh, Devarajan; Ananthnag, Guddekoppa S.; Mague, Joel T.","Quaternization and oxidation reactions of cyclodiphosphazane derivatives and their copper(i) and gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8835","8848","10.1039/c4dt00801d","","","0.71073","MoKα","","0.0591","0.0362","","","0.0703","0.0768","","","","","","0.95","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031265","14.1715","0.0006","14.6142","0.0006","16.8817","0.0007","90","","90","","90","","3496.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Iodo(2,2'-bipyridine-κN:κN')(1,3-di-<i>tert</i>- butyl-2,4-bis(<i>tert</i>-butylamino)-2-methyl-[1,3,2,4] diazadiphosphetidin-2-ium-κP)copper(I) Iodide","","- C27 H49 Cu I2 N6 P2 -","- C27 H49 Cu I2 N6 P2 -","- C108 H196 Cu4 I8 N24 P8 -","4","1","","Balakrishna, Maravanji S.; Suresh, Devarajan; Ananthnag, Guddekoppa S.; Mague, Joel T.","Quaternization and oxidation reactions of cyclodiphosphazane derivatives and their copper(i) and gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8835","8848","10.1039/c4dt00801d","","","0.71073","MoKα","","0.0436","0.0379","","","0.084","0.0869","","","","","","1.074","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031266","24.7202","0.0011","10.1169","0.0004","14.2381","0.0006","90","","90","","90","","3560.8","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Iodo(1,10-phenanthroline-κN:κN')(1,3-di-<i>tert</i>- butyl-2,4-bis(<i>tert</i>-butylamino)-2-methyl-[1,3,2,4] diazadiphosphetidin-2-ium-κP)copper(I) Iodide","","- C29 H49 Cu I2 N6 P2 -","- C29 H49 Cu I2 N6 P2 -","- C116 H196 Cu4 I8 N24 P8 -","4","1","","Balakrishna, Maravanji S.; Suresh, Devarajan; Ananthnag, Guddekoppa S.; Mague, Joel T.","Quaternization and oxidation reactions of cyclodiphosphazane derivatives and their copper(i) and gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8835","8848","10.1039/c4dt00801d","","","0.71073","MoKα","","0.0261","0.0229","","","0.047","0.0487","","","","","","1.062","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031267","9.714","0.003","10.396","0.003","17.44","0.006","81.865","0.004","85.488","0.004","62.617","0.004","1547.9","0.8","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","Chlorido{1,3-di-tert-butylbis(tert-butylamino)-2-methyl-1,3,2,4- diazadiphosphetidin-2-ium}gold(I) trifluoromethanesulfonate","","- C18 H41 Au Cl F3 N4 O3 P2 S -","- C18 H41 Au Cl F3 N4 O3 P2 S -","- C36 H82 Au2 Cl2 F6 N8 O6 P4 S2 -","2","1","","Balakrishna, Maravanji S.; Suresh, Devarajan; Ananthnag, Guddekoppa S.; Mague, Joel T.","Quaternization and oxidation reactions of cyclodiphosphazane derivatives and their copper(i) and gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8835","8848","10.1039/c4dt00801d","","","0.71073","MoKα","","0.0348","0.0327","","","0.0857","0.0873","","","","","","1.03","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031268","16.752","0.005","20.392","0.006","10.355","0.003","90","","115.486","0.004","90","","3193.1","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 N O4 Zn -","- C15 H10 N O4 Zn -","- C120 H80 N8 O32 Zn8 -","8","1","","Xu, Xin-Xin; Cui, Zhong-Ping; Gao, Xin; Liu, Xiao-Xia","Photocatalytic activity of transition-metal-ion-doped coordination polymer (CP): photoresponse region extension and quantum yields enhancement via doping of transition metal ions into the framework of CPs.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8805","8813","10.1039/c4dt00435c","","","0.71073","MoKα","","0.0557","0.0506","","","0.1658","0.1744","","","","","","1.059","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031269","13.4625","0.0014","25.739","0.003","25.325","0.003","90","","94.556","0.002","90","","8747.7","1.7","273","2","273","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C96 H78 Ag Cl5 N2 O4 P4 Pt2 -","- C96 H78 Ag Cl5 N2 O4 P4 Pt2 -","- C384 H312 Ag4 Cl20 N8 O16 P16 Pt8 -","4","1","","Lin, Xiao-Xia; Li, Zhi-Hong; Huang, Xiao-Yan; Jiang, Yi; Wei, Qiao-Hua; Chen, Guo-Nan","Pt2Ag acetylide-doped silica nanoparticles: enabling luminescence of Pt2Ag complexes in water and sensors for highly sensitive detection of cyanide anions.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8861","8867","10.1039/c4dt00552j","","","0.71073","MoKα","","0.109","0.0748","","","0.183","0.2017","","","","","","1.034","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7031270","8.7711","0.0008","21.7414","0.0018","11.139","0.001","90","","103.364","0.002","90","","2066.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N3 O2 -","- C22 H27 N3 O2 -","- C88 H108 N12 O8 -","4","1","","Cuerva, Cristián; Campo, José A; Ovejero, Paloma; Torres, María R; Cano, Mercedes","Polycatenar pyrazole and pyrazolate ligands as building blocks of new columnar Pd(ii) metallomesogens.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8849","8860","10.1039/c4dt00369a","","","0.71073","MoKα","","0.157","0.047","","","0.1191","0.1532","","","","","","0.996","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031271","6.785","0.002","14.665","0.005","18.048","0.005","67.868","0.006","83.627","0.007","82.8","0.007","1646.4","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H100 N6 O4 Pd -","- C68 H100 N6 O4 Pd -","- C68 H100 N6 O4 Pd -","1","0.5","","Cuerva, Cristián; Campo, José A; Ovejero, Paloma; Torres, María R; Cano, Mercedes","Polycatenar pyrazole and pyrazolate ligands as building blocks of new columnar Pd(ii) metallomesogens.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8849","8860","10.1039/c4dt00369a","","","0.71073","MoKα","","0.2632","0.0717","","","0.1116","0.1394","","","","","","0.851","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031272","15.3154","0.0012","9.5003","0.0008","16.2703","0.0017","90","","90","","90","","2367.3","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Al2 O6 -","- C20 H30 Al2 O6 -","- C80 H120 Al8 O24 -","4","0.5","","Muñoz, M Teresa; Cuenca, Tomás; Mosquera, Marta E. G.","Heterometallic aluminates: alkali metals trapped by an aluminium aryloxide claw.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14377","14385","10.1039/c4dt00952e","","","0.71073","MoKα","","0.1009","0.0523","","","0.1421","0.1636","","","","","","1.036","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031273","13.7778","0.0016","14.062","0.003","10.594","0.003","90","","90","","90","","2052.5","0.8","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H48 Al2 Na2 O12 -","- C36 H48 Al2 Na2 O12 -","- C72 H96 Al4 Na4 O24 -","2","0.5","","Muñoz, M Teresa; Cuenca, Tomás; Mosquera, Marta E. G.","Heterometallic aluminates: alkali metals trapped by an aluminium aryloxide claw.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14377","14385","10.1039/c4dt00952e","","","0.71073","MoKα","","0.0838","0.0505","","","0.1392","0.1577","","","","","","1.032","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031274","12.4801","0.0013","7.311","0.002","25.671","0.007","90","","92.86","0.017","90","","2339.4","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Al K O7 -","- C18 H24 Al K O6 -","- C72 H96 Al4 K4 O24 -","4","1","","Muñoz, M Teresa; Cuenca, Tomás; Mosquera, Marta E. G.","Heterometallic aluminates: alkali metals trapped by an aluminium aryloxide claw.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14377","14385","10.1039/c4dt00952e","","","0.71073","MoKα","","0.1083","0.0835","","","0.2144","0.2258","","","","","","1.104","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031275","7.299","0.002","11.469","0.004","11.601","0.004","103.137","0.004","99.656","0.005","102.478","0.005","899.1","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H33 Cr Cu2 Mo6 N4 O32 -","- C16 H16 Cr Cu2 Mo6 N4 O32 -","- C16 H16 Cr Cu2 Mo6 N4 O32 -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen","Assembly and photocatalysis of two novel 3D Anderson-type polyoxometalate-based metal-organic frameworks constructed from isomeric bis(pyridylformyl)piperazine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12272","12278","10.1039/c4dt01211a","","","0.71069","MoKα","","0.0664","0.0633","","","0.1763","0.179","","","","","","1.058","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031276","7.617","0.0006","10.442","0.0008","13.879","0.0011","75.797","0.001","82.018","0.001","71.724","0.001","1013.86","0.14","293","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H38 Cr Cu2 Mo6 N4 O34 -","- C16 H16 Cr Cu2 Mo6 N4 O34 -","- C16 H16 Cr Cu2 Mo6 N4 O34 -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen","Assembly and photocatalysis of two novel 3D Anderson-type polyoxometalate-based metal-organic frameworks constructed from isomeric bis(pyridylformyl)piperazine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12272","12278","10.1039/c4dt01211a","","","0.71069","MoKα","","0.027","0.0238","","","0.0619","0.063","","","","","","1.048","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031277","10.0207","0.0002","13.4721","0.0002","16.8224","0.0003","90","","90","","90","","2271.02","0.07","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N Si -","- C22 H31 N Si -","- C88 H124 N4 Si4 -","4","1","","Uhl, Werner; Bohnemann, Jörg; Kappelt, Benedikt; Hepp, Alexander; Layh, Marcus","Hydrometallation of amino-trialkynylsilanes - intramolecular M-N interactions (M = Al, Ga) and potential activation of Si-N bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14386","14398","10.1039/c4dt00922c","","","1.54178","CuKα","","0.0447","0.039","","","0.0911","0.0944","","","","","","1.059","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031278","12.6637","0.0006","16.9211","0.0008","19.3879","0.0008","90","","90.479","0.002","90","","4154.4","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H69 Al2 N Si -","- C38 H69 Al2 N Si -","- C152 H276 Al8 N4 Si4 -","4","1","","Uhl, Werner; Bohnemann, Jörg; Kappelt, Benedikt; Hepp, Alexander; Layh, Marcus","Hydrometallation of amino-trialkynylsilanes - intramolecular M-N interactions (M = Al, Ga) and potential activation of Si-N bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14386","14398","10.1039/c4dt00922c","","","0.71073","MoKα","","0.1024","0.0504","","","0.1147","0.1332","","","","","","1.021","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031279","12.6965","0.0003","16.9151","0.0004","19.3913","0.0005","90","","90.589","0.001","90","","4164.31","0.18","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H69 Ga2 N Si -","- C38 H69 Ga2 N Si -","- C152 H276 Ga8 N4 Si4 -","4","1","","Uhl, Werner; Bohnemann, Jörg; Kappelt, Benedikt; Hepp, Alexander; Layh, Marcus","Hydrometallation of amino-trialkynylsilanes - intramolecular M-N interactions (M = Al, Ga) and potential activation of Si-N bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14386","14398","10.1039/c4dt00922c","","","0.71073","MoKα","","0.0533","0.0325","","","0.0714","0.0785","","","","","","1.031","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031280","28.5934","0.0012","15.1324","0.0006","18.5944","0.0008","90","","124.746","0.001","90","","6610.9","0.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H54 Al N Si -","- C30 H54 Al N Si -","- C240 H432 Al8 N8 Si8 -","8","1","","Uhl, Werner; Bohnemann, Jörg; Kappelt, Benedikt; Hepp, Alexander; Layh, Marcus","Hydrometallation of amino-trialkynylsilanes - intramolecular M-N interactions (M = Al, Ga) and potential activation of Si-N bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14386","14398","10.1039/c4dt00922c","","","0.71073","MoKα","","0.0625","0.0487","","","0.1328","0.1428","","","","","","1.034","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031281","28.4683","0.0013","15.2259","0.0007","18.6308","0.0008","90","","124.829","0.001","90","","6629","0.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H54 Ga N Si -","- C30 H54 Ga N Si -","- C240 H432 Ga8 N8 Si8 -","8","1","","Uhl, Werner; Bohnemann, Jörg; Kappelt, Benedikt; Hepp, Alexander; Layh, Marcus","Hydrometallation of amino-trialkynylsilanes - intramolecular M-N interactions (M = Al, Ga) and potential activation of Si-N bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14386","14398","10.1039/c4dt00922c","","","0.71073","MoKα","","0.0378","0.0326","","","0.0881","0.092","","","","","","1.043","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031282","20.7949","0.0004","11.5692","0.0002","40.0587","0.0009","90","","90","","90","","9637.3","0.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H74 Al2 F5 N Si -","- C44 H74.0002 Al2 F4.9998 N Si -","- C352 H592.002 Al16 F39.9984 N8 Si8 -","8","1","","Uhl, Werner; Bohnemann, Jörg; Kappelt, Benedikt; Hepp, Alexander; Layh, Marcus","Hydrometallation of amino-trialkynylsilanes - intramolecular M-N interactions (M = Al, Ga) and potential activation of Si-N bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14386","14398","10.1039/c4dt00922c","","","1.54178","CuKα","","0.0704","0.0647","","","0.1725","0.1768","","","","","","1.081","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031283","11.5215","0.0002","20.1495","0.0004","32.8729","0.0006","90","","90","","90","","7631.5","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H65 Ga2 N Si -","- C34 H65 Ga2 N Si -","- C272 H520 Ga16 N8 Si8 -","8","1","","Uhl, Werner; Bohnemann, Jörg; Kappelt, Benedikt; Hepp, Alexander; Layh, Marcus","Hydrometallation of amino-trialkynylsilanes - intramolecular M-N interactions (M = Al, Ga) and potential activation of Si-N bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14386","14398","10.1039/c4dt00922c","","","0.71073","MoKα","","0.0286","0.0236","","","0.0567","0.0586","","","","","","1.046","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031284","11.5037","0.0019","12.472","0.002","16.387","0.003","77.007","0.005","76.79","0.005","81.216","0.005","2217.5","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H78 Mn5 N32 O30 -","- C68 H54 Mn5 N32 O30 -","- C68 H54 Mn5 N32 O30 -","1","0.5","","Wang, Yan-Qin; Liu, Hou-Ting; Qi, Yan; Gao, En-Qing","Topological ferrimagnetic behaviours of coordination polymers containing manganese(ii) chains with mixed azide and carboxylate bridges and alternating F/AF/AF'/AF'/AF interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11819","11825","10.1039/c4dt01151a","","","0.71073","MoKα","","0.0588","0.048","","","0.1466","0.1563","","","","","","1.063","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031285","11.2421","0.0003","12.7398","0.0004","16.5024","0.0005","75.988","0.001","75.379","0.001","81.415","0.001","2209.12","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H74 Cl2 Mn5 N32 O35 -","- C68 H56 Cl2 Mn5 N32 O35.02 -","- C68 H56 Cl2 Mn5 N32 O35.02 -","1","0.5","","Wang, Yan-Qin; Liu, Hou-Ting; Qi, Yan; Gao, En-Qing","Topological ferrimagnetic behaviours of coordination polymers containing manganese(ii) chains with mixed azide and carboxylate bridges and alternating F/AF/AF'/AF'/AF interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11819","11825","10.1039/c4dt01151a","","","0.71073","MoKα","","0.0719","0.0563","","","0.16","0.1754","","","","","","1.048","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031286","17.9918","0.0016","12.0283","0.0011","22.162","0.002","90","","90","","90","","4796.1","0.7","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H65 Cl3 N2 O2 Ti -","- C48 H65 Cl3 N2 O2 Ti -","- C192 H260 Cl12 N8 O8 Ti4 -","4","1","","Zhao, Ruiguo; Liu, Taotao; Wang, Liying; Ma, Haiyan","High temperature ethylene polymerization catalyzed by titanium(iv) complexes with tetradentate aminophenolate ligands in cis-O, N, N chelating mode.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12663","12677","10.1039/c4dt01122h","","","0.71073","MoKα","","0.197","0.0782","","","0.164","0.2198","","","","","","0.96","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031287","31.567","0.014","12.607","0.005","24.65","0.01","90","","127.231","0.008","90","","7811","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H43 Cl3 N2 O2 Ti -","- C29 H43 Cl3 N2 O2 Ti -","- C232 H344 Cl24 N16 O16 Ti8 -","8","1","","Zhao, Ruiguo; Liu, Taotao; Wang, Liying; Ma, Haiyan","High temperature ethylene polymerization catalyzed by titanium(iv) complexes with tetradentate aminophenolate ligands in cis-O, N, N chelating mode.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12663","12677","10.1039/c4dt01122h","","","0.71073","MoKα","","0.1486","0.084","","","0.2359","0.2684","","","","","","0.996","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031288","12.5385","0.0017","16.754","0.002","18.355","0.002","99.214","0.003","93.923","0.003","103.434","0.003","3679.5","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H78 Br4 Cl4 N4 O5 Ti2 -","- C66 H46 Br4 Cl4 N4 O5 Ti2 -","- C132 H92 Br8 Cl8 N8 O10 Ti4 -","2","1","","Zhao, Ruiguo; Liu, Taotao; Wang, Liying; Ma, Haiyan","High temperature ethylene polymerization catalyzed by titanium(iv) complexes with tetradentate aminophenolate ligands in cis-O, N, N chelating mode.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12663","12677","10.1039/c4dt01122h","","","0.71073","MoKα","","0.1737","0.0802","","","0.205","0.2592","","","","","","0.994","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031289","12.595","0.004","13.269","0.004","21.982","0.007","90","","104.538","0.004","90","","3556.1","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H53 Cl N2 O5 Ti -","- C32 H53 Cl N2 O5 Ti -","- C128 H212 Cl4 N8 O20 Ti4 -","4","1","","Zhao, Ruiguo; Liu, Taotao; Wang, Liying; Ma, Haiyan","High temperature ethylene polymerization catalyzed by titanium(iv) complexes with tetradentate aminophenolate ligands in cis-O, N, N chelating mode.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12663","12677","10.1039/c4dt01122h","","","0.71073","MoKα","","0.1138","0.0671","","","0.1849","0.2081","","","","","","0.954","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031290","26.7702","0.0011","12.8893","0.0004","20.4331","0.0007","90","","115.493","0.002","90","","6364","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 Cl4 N3 Ru -","- C30 H37 Cl4 N3 Ru -","- C240 H296 Cl32 N24 Ru8 -","8","1","","Bagh, Bidraha; McKinty, Adam M.; Lough, Alan J.; Stephan, Douglas W.","1,2,3-Triazolylidene ruthenium(ii)(η(6)-arene) complexes: synthesis, metallation and reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12842","","10.1039/c4dt01174k","","","0.71073","MoKα","","0.0687","0.0451","","","0.1089","0.1226","","","","","","1.03","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031291","7.662","0.001","12.7401","0.0018","13.9041","0.0019","81.785","0.005","80.607","0.005","78.793","0.005","1304.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H35 Cl N3 Ru -","- C29 H35 Cl N3 Ru -","- C58 H70 Cl2 N6 Ru2 -","2","1","","Bagh, Bidraha; McKinty, Adam M.; Lough, Alan J.; Stephan, Douglas W.","1,2,3-Triazolylidene ruthenium(ii)(η(6)-arene) complexes: synthesis, metallation and reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12842","","10.1039/c4dt01174k","","","0.71073","MoKα","","0.0346","0.0289","","","0.0735","0.0771","","","","","","1.045","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031292","7.9369","0.0011","12.9896","0.0017","15.948","0.002","82.33","0.008","79.646","0.008","76.138","0.008","1563.3","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H46 Cl F0 N3 P0 Ru -","- C35 H46 Cl N3 Ru -","- C70 H92 Cl2 N6 Ru2 -","2","1","","Bagh, Bidraha; McKinty, Adam M.; Lough, Alan J.; Stephan, Douglas W.","1,2,3-Triazolylidene ruthenium(ii)(η(6)-arene) complexes: synthesis, metallation and reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12842","","10.1039/c4dt01174k","","","0.71073","MoKα","","0.0662","0.046","","","0.0948","0.1024","","","","","","1.04","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031293","9.8559","0.0005","11.0428","0.0006","23.2448","0.0013","100.09","0.003","96.685","0.003","109.776","0.002","2301.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cl N3 Ru -","- C26 H28 Cl N3 Ru -","- C104 H112 Cl4 N12 Ru4 -","4","2","","Bagh, Bidraha; McKinty, Adam M.; Lough, Alan J.; Stephan, Douglas W.","1,2,3-Triazolylidene ruthenium(ii)(η(6)-arene) complexes: synthesis, metallation and reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12842","","10.1039/c4dt01174k","","","0.71073","MoKα","","0.0683","0.056","","","0.155","0.1605","","","","","","1.071","","","","has coordinates","182257","2020-10-21","18:00:00",""
"7031294","6.5553","0.0003","12.2056","0.0006","15.7841","0.0011","69.259","0.004","83.419","0.004","85.39","0.003","1172.2","0.12","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cl N3 Ru -","- C26 H28 Cl N3 Ru -","- C52 H56 Cl2 N6 Ru2 -","2","1","","Bagh, Bidraha; McKinty, Adam M.; Lough, Alan J.; Stephan, Douglas W.","1,2,3-Triazolylidene ruthenium(ii)(η(6)-arene) complexes: synthesis, metallation and reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12842","","10.1039/c4dt01174k","","","1.54178","CuKα","","0.0417","0.0381","","","0.0985","0.1029","","","","","","1.096","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031295","15.6915","0.0015","17.2977","0.0016","7.9741","0.0006","90","","103.38","0.004","90","","2105.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cl2 N3 Ru -","- C19 H21 Cl2 N3 Ru -","- C76 H84 Cl8 N12 Ru4 -","4","1","","Bagh, Bidraha; McKinty, Adam M.; Lough, Alan J.; Stephan, Douglas W.","1,2,3-Triazolylidene ruthenium(ii)(η(6)-arene) complexes: synthesis, metallation and reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12842","","10.1039/c4dt01174k","","","0.71073","MoKα","","0.113","0.0537","","","0.0964","0.1099","","","","","","0.912","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031296","20.5938","0.0005","18.5018","0.0004","24.0322","0.0007","90","","103.048","0.003","90","","8920.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H75 Cl9 N6 Pd2 -","- C98 H75 Cl9 N6 Pd2 -","- C392 H300 Cl36 N24 Pd8 -","4","1","","Teci, Matthieu; Brenner, Eric; Matt, Dominique; Gourlaouen, Christophe; Toupet, Loïc","Directional properties of fluorenylidene moieties in unsymmetrically substituted N-heterocyclic carbenes. Unexpected CH activation of a methylfluorenyl group with palladium. Use in palladium catalysed Suzuki-Miyaura cross coupling of aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12251","12262","10.1039/c4dt01102c","","","0.71073","MoKα","","0.1384","0.0673","","","0.1883","0.2091","","","","","","0.717","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031297","14.5752","0.0003","19.1704","0.0004","22.602","0.0005","90","","90","","90","","6315.3","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H27 Cl N2 Pd S -","- C36 H27 Cl N2 Pd S -","- C288 H216 Cl8 N16 Pd8 S8 -","8","1","","Teci, Matthieu; Brenner, Eric; Matt, Dominique; Gourlaouen, Christophe; Toupet, Loïc","Directional properties of fluorenylidene moieties in unsymmetrically substituted N-heterocyclic carbenes. Unexpected CH activation of a methylfluorenyl group with palladium. Use in palladium catalysed Suzuki-Miyaura cross coupling of aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12251","12262","10.1039/c4dt01102c","","","0.71073","MoKα","","0.0703","0.0365","","","0.0916","0.1002","","","","","","0.866","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031298","15.788","0.0005","18.785","0.0006","20.1863","0.0007","90","","90","","90","","5986.8","0.3","250","2","250","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","Moris-337 (Sara)","","","- C54 H84 Cl2 N8 Si2 Th -","- C54 H84 Cl2 N8 Si2 Th -","- C216 H336 Cl8 N32 Si8 Th4 -","4","0.5","","Karmel, Isabell S. R.; Elkin, Tatyana; Fridman, Natalia; Eisen, Moris S.","Dimethylsilyl bis(amidinate)actinide complexes: synthesis and reactivity towards oxygen containing substrates.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11376","11387","10.1039/c4dt01361a","","","0.71073","MoKα","","0.0499","0.0305","","","0.0884","0.0989","","","","","","1.005","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031299","19.515","0.0004","10.564","0.0002","22.454","0.0004","90","","109.196","0.0009","90","","4371.66","0.15","240","2","240","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","moris347","","","- C37 H55 Cl3 N6 Si2 U -","- C37 H55 Cl3 N6 Si2 U -","- C148 H220 Cl12 N24 Si8 U4 -","4","1","","Karmel, Isabell S. R.; Elkin, Tatyana; Fridman, Natalia; Eisen, Moris S.","Dimethylsilyl bis(amidinate)actinide complexes: synthesis and reactivity towards oxygen containing substrates.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11376","11387","10.1039/c4dt01361a","","","0.71073","MoKα","","0.0538","0.0317","","","0.0692","0.0759","","","","","","1.028","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031300","10.9649","0.0006","12.6366","0.0007","12.9693","0.0007","97.368","0.002","104.184","0.002","98.75","0.002","1696.07","0.16","250","2","250","2","","","","","","","","7","P -1","-P 1","2","Moris-350(Sara)","","","- C62 H84 Cl2 N8 O4 Si2 Th2 -","- C62 H84 Cl2 N8 O4 Si2 Th2 -","- C62 H84 Cl2 N8 O4 Si2 Th2 -","1","0.5","","Karmel, Isabell S. R.; Elkin, Tatyana; Fridman, Natalia; Eisen, Moris S.","Dimethylsilyl bis(amidinate)actinide complexes: synthesis and reactivity towards oxygen containing substrates.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11376","11387","10.1039/c4dt01361a","","","0.71073","MoKα","","0.0384","0.0354","","","0.1074","0.1092","","","","","","1.06","","","","has coordinates","189363","2020-10-21","18:00:00",""
"7031301","12.2835","0.0004","14.8751","0.0005","23.0777","0.0008","90","","93.356","0.001","90","","4209.5","0.2","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Moris-362 (Sara)","","","- C35 H39 Cl4 N5 Si U -","- C35 H39 Cl4 N5 Si U -","- C140 H156 Cl16 N20 Si4 U4 -","4","0.5","","Karmel, Isabell S. R.; Elkin, Tatyana; Fridman, Natalia; Eisen, Moris S.","Dimethylsilyl bis(amidinate)actinide complexes: synthesis and reactivity towards oxygen containing substrates.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11376","11387","10.1039/c4dt01361a","","","0.71073","MoKα","","0.0466","0.0427","","","0.1112","0.1128","","","","","","1.163","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031302","11.03826","0.00019","18.5663","0.0005","17.8663","0.0003","90","","92.0479","0.0017","90","","3659.17","0.13","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 F24 N Nd O9.4 -","- C25 H17 F24 N Nd O9.395 -","- C100 H68 F96 N4 Nd4 O37.58 -","4","1","","Onghena, Bieke; Jacobs, Jeroen; Van Meervelt, Luc; Binnemans, Koen","Homogeneous liquid-liquid extraction of neodymium(iii) by choline hexafluoroacetylacetonate in the ionic liquid choline bis(trifluoromethylsulfonyl)imide.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11566","11578","10.1039/c4dt01340a","","","0.71073","MoKα","","0.0622","0.0481","","","0.116","0.129","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031303","35.9745","0.0011","11.7365","0.0004","20.8392","0.0006","90","","106.497","0.002","90","","8436.4","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","HS210","","","- C35 H55 B10 Cu2 N5 P2 -","- C35 H55 B10 Cu2 N5 P2 -","- C280 H440 B80 Cu16 N40 P16 -","8","2","","Scheel, Holger; Wiederkehr, Jessica; Eichele, Klaus; Mayer, Hermann A.; Winter, Florian; Pöttgen, Rainer; Wesemann, Lars","Dinuclear copper complexes: coordination of Group 14 heteroborates.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11867","11876","10.1039/c4dt01242a","","","0.71073","MoKα","","0.0892","0.0448","","","0.1024","0.1156","","","","","","0.988","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031304","11.4078","0.0003","21.7301","0.0005","18.9365","0.0004","90","","95.235","0.001","90","","4674.64","0.19","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","JW16a","","","- C37 H62 B10 Cu2 Ge2 N4 O P2 -","- C37 H62 B10 Cu2 Ge2 N4 O P2 -","- C148 H248 B40 Cu8 Ge8 N16 O4 P8 -","4","1","","Scheel, Holger; Wiederkehr, Jessica; Eichele, Klaus; Mayer, Hermann A.; Winter, Florian; Pöttgen, Rainer; Wesemann, Lars","Dinuclear copper complexes: coordination of Group 14 heteroborates.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11867","11876","10.1039/c4dt01242a","","","0.71073","MoKα","","0.053","0.0388","","","0.0987","0.1077","","","","","","1.059","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031305","13.1755","0.0004","16.9103","0.0004","19.1784","0.0005","90","","90","","90","","4273","0.2","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","JW14","","","- C33 H53 B11 Cu2 Ge N4 P2 -","- C33 H53 B11 Cu2 Ge N4 P2 -","- C132 H212 B44 Cu8 Ge4 N16 P8 -","4","1","","Scheel, Holger; Wiederkehr, Jessica; Eichele, Klaus; Mayer, Hermann A.; Winter, Florian; Pöttgen, Rainer; Wesemann, Lars","Dinuclear copper complexes: coordination of Group 14 heteroborates.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11867","11876","10.1039/c4dt01242a","","","0.71073","MoKα","","0.0721","0.0445","","","0.1052","0.117","","","","","","1.028","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031306","19.8799","0.0004","11.6874","0.0002","26.0583","0.0005","90","","92.858","0.001","90","","6047","0.2","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","HS282","","","- C44 H62 B11 Cl6 Cu2 Mo N4 O5 P2 Sn -","- C44 H62 B11 Cl6 Cu2 Mo N4 O5 P2 Sn -","- C176 H248 B44 Cl24 Cu8 Mo4 N16 O20 P8 Sn4 -","4","1","","Scheel, Holger; Wiederkehr, Jessica; Eichele, Klaus; Mayer, Hermann A.; Winter, Florian; Pöttgen, Rainer; Wesemann, Lars","Dinuclear copper complexes: coordination of Group 14 heteroborates.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11867","11876","10.1039/c4dt01242a","","","0.71073","MoKα","","0.0572","0.0439","","","0.1112","0.1189","","","","","","1.048","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031307","11.313","0.0002","20.9852","0.0004","17.6376","0.0003","90","","97.329","0.001","90","","4153.05","0.13","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H53 B11 Cu2 N4 P2 Sn -","- C33 H53 B11 Cu2 N4 P2 Sn -","- C132 H212 B44 Cu8 N16 P8 Sn4 -","4","1","","Scheel, Holger; Wiederkehr, Jessica; Eichele, Klaus; Mayer, Hermann A.; Winter, Florian; Pöttgen, Rainer; Wesemann, Lars","Dinuclear copper complexes: coordination of Group 14 heteroborates.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11867","11876","10.1039/c4dt01242a","","","0.71073","MoKα","","0.0252","0.0208","","","0.0532","0.0557","","","","","","1.047","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031308","10.5306","0.0003","14.5334","0.0004","20.3679","0.0006","92.217","0.002","95.158","0.002","107.583","0.002","2952.42","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","HS183","","","- C41 H73 B20 Cu2 N7 P2 Sn2 -","- C41 H73 B20 Cu2 N7 P2 Sn2 -","- C82 H146 B40 Cu4 N14 P4 Sn4 -","2","1","","Scheel, Holger; Wiederkehr, Jessica; Eichele, Klaus; Mayer, Hermann A.; Winter, Florian; Pöttgen, Rainer; Wesemann, Lars","Dinuclear copper complexes: coordination of Group 14 heteroborates.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11867","11876","10.1039/c4dt01242a","","","0.71073","MoKα","","0.0727","0.0354","","","0.0699","0.0757","","","","","","0.902","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031309","16.6328","0.0007","8.2556","0.0003","14.5112","0.0006","90","","90","","90","","1992.59","0.14","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H27 N2 O Y -","- C20 H27 N2 O Y -","- C80 H108 N8 O4 Y4 -","4","1","","Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B.","Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14346","14358","10.1039/c4dt01442a","","","0.71073","MoKα","","0.0897","0.0477","","","0.0753","0.0859","","","","","","1.028","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031310","16.7257","0.0003","8.1039","0.0001","13.9844","0.0003","90","","90","","90","","1895.49","0.06","170","2","170","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H27 N2 O Sc -","- C20 H27 N2 O Sc -","- C80 H108 N8 O4 Sc4 -","4","1","","Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B.","Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14346","14358","10.1039/c4dt01442a","","","0.71073","MoKα","","0.0349","0.0295","","","0.0658","0.0686","","","","","","1.045","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031311","10.3917","0.0011","16.4222","0.0004","15.567","0.003","90","","108.53","0.02","90","","2518.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 Ce N2 O2 -","- C24 H35 Ce N2 O2 -","- C96 H140 Ce4 N8 O8 -","4","1","","Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B.","Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14346","14358","10.1039/c4dt01442a","","","0.71073","MoKα","","0.0408","0.0326","","","0.0753","0.0823","","","","","","1.071","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031312","10.0822","0.0011","16.768","0.002","17.2137","0.0015","109.721","0.009","90.413","0.008","91.683","0.009","2737.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H39 N4 O2 Y -","- C25 H39 N4 O2 Y -","- C100 H156 N16 O8 Y4 -","4","2","","Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B.","Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14346","14358","10.1039/c4dt01442a","","","0.71073","MoKα","","0.0854","0.048","","","0.0778","0.0888","","","","","","1.037","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031313","12.3655","0.0004","13.2013","0.0005","15.6014","0.0005","101.035","0.003","90.494","0.002","95.738","0.003","2486.16","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H76 N8 O4 Th -","- C47 H76 N8 O4 Th -","- C94 H152 N16 O8 Th2 -","2","1","","Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B.","Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14346","14358","10.1039/c4dt01442a","","","0.71073","MoKα","","0.0557","0.0445","","","0.1071","0.1122","","","","","","1.035","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031314","17.5456","0.0005","15.6123","0.0005","16.8818","0.0005","90","","92.453","0.003","90","","4620.1","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 N3 O Y -","- C24 H32 N3 O Y -","- C192 H256 N24 O8 Y8 -","8","1","","Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B.","Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14346","14358","10.1039/c4dt01442a","","","0.71073","MoKα","","0.0513","0.0318","","","0.0716","0.0777","","","","","","1.026","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031315","9.0723","0.0011","15.3819","0.0008","20.696","0.002","90","","103.351","0.011","90","","2810.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N3 O Y -","- C28 H34 N3 O Y -","- C112 H136 N12 O4 Y4 -","4","1","","Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B.","Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14346","14358","10.1039/c4dt01442a","","","0.71073","MoKα","","0.0774","0.0458","","","0.1109","0.1192","","","","","","1.053","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031316","10.328","0.0003","11.0932","0.0003","17.6674","0.0005","74.577","0.003","89.538","0.002","75.363","0.002","1884.15","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H56 N7 O3 Sc -","- C34 H56 N7 O3 Sc -","- C68 H112 N14 O6 Sc2 -","2","1","","Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B.","Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14346","14358","10.1039/c4dt01442a","","","0.71073","MoKα","","0.0511","0.0383","","","0.09","0.0973","","","","","","1.026","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031317","11.2916","0.0004","12.0218","0.0004","12.7949","0.0006","108.824","0.004","95.048","0.003","116.135","0.004","1420.72","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H39 Ce N2 O -","- C31 H39 Ce N2 O -","- C62 H78 Ce2 N4 O2 -","2","1","","Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B.","Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14346","14358","10.1039/c4dt01442a","","","0.71073","MoKα","","0.0221","0.02","","","0.0536","0.0552","","","","","","1.075","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031318","17.618","0.005","17.618","0.005","47.904","0.005","90","0.005","90","0.005","90","0.005","14869","6","173","2","173","2","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C35 H51 N4 O2 Y -","- C35 H51 N4 O2 Y -","- C560 H816 N64 O32 Y16 -","16","","","Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B.","Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14346","14358","10.1039/c4dt01442a","","","0.71073","MoKα","","0.1093","0.058","","","0.1411","0.1624","","","","","","1.055","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031319","11.0941","0.0008","13.9218","0.0009","27.1465","0.0013","90","","90","","90","","4192.8","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 N2 O2 Y -","- C35 H41 N2 O2 Y -","- C140 H164 N8 O8 Y4 -","4","1","","Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B.","Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14346","14358","10.1039/c4dt01442a","","","0.71073","MoKα","","0.1257","0.0738","","","0.1515","0.1688","","","","","","1.008","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031320","12.291","0.009","26.77","0.02","7.409","0.006","90","","103.408","0.006","90","","2371","3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Cl N5 Ni0.09 Pt0.91 S4 -","- C20 H11 Cl N5 Ni0.0884 Pt0.9116 S4 -","- C80 H44 Cl4 N20 Ni0.3536 Pt3.6464 S16 -","4","1","","Yuan, Guo-Jun; Yang, Hao; Liu, Shao-Xian; Liu, Jian-Lan; Ren, Xiao-Ming","Precisely tunable magnetic phase transition temperature, TC, through the formation of a molecular alloy in [NixPt1-x(mnt)2](-)-based spin systems (mnt(2-) = maleonitriledithiolate, x = 0.09-0.91).","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11908","11914","10.1039/c4dt00868e","","","0.71073","MoKα","","0.2105","0.138","","","0.3339","0.3735","","","","","","1.106","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031321","12.173","0.005","26.453","0.011","7.339","0.003","90","","103.596","0.005","90","","2297","1.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Cl N5 Ni0.21 Pt0.79 S4 -","- C20 H11 Cl N5 Ni0.2096 Pt0.7904 S4 -","- C80 H44 Cl4 N20 Ni0.8384 Pt3.1616 S16 -","4","1","","Yuan, Guo-Jun; Yang, Hao; Liu, Shao-Xian; Liu, Jian-Lan; Ren, Xiao-Ming","Precisely tunable magnetic phase transition temperature, TC, through the formation of a molecular alloy in [NixPt1-x(mnt)2](-)-based spin systems (mnt(2-) = maleonitriledithiolate, x = 0.09-0.91).","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11908","11914","10.1039/c4dt00868e","","","0.71073","MoKα","","0.134","0.079","","","0.1821","0.2152","","","","","","0.975","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031322","12.187","0.002","26.477","0.005","7.3604","0.0013","90","","103.279","0.002","90","","2311.5","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Cl N5 Ni0.34 Pt0.66 S4 -","- C20 H11 Cl N5 Ni0.336 Pt0.664 S4 -","- C80 H44 Cl4 N20 Ni1.344 Pt2.656 S16 -","4","1","","Yuan, Guo-Jun; Yang, Hao; Liu, Shao-Xian; Liu, Jian-Lan; Ren, Xiao-Ming","Precisely tunable magnetic phase transition temperature, TC, through the formation of a molecular alloy in [NixPt1-x(mnt)2](-)-based spin systems (mnt(2-) = maleonitriledithiolate, x = 0.09-0.91).","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11908","11914","10.1039/c4dt00868e","","","0.71073","MoKα","","0.1042","0.0837","","","0.2166","0.2338","","","","","","0.997","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031323","12.1496","0.0019","26.389","0.004","7.3488","0.0012","90","","103.166","0.002","90","","2294.2","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Cl N5 Ni0.42 Pt0.58 S4 -","- C20 H11 Cl N5 Ni0.424 Pt0.576 S4 -","- C80 H44 Cl4 N20 Ni1.696 Pt2.304 S16 -","4","1","","Yuan, Guo-Jun; Yang, Hao; Liu, Shao-Xian; Liu, Jian-Lan; Ren, Xiao-Ming","Precisely tunable magnetic phase transition temperature, TC, through the formation of a molecular alloy in [NixPt1-x(mnt)2](-)-based spin systems (mnt(2-) = maleonitriledithiolate, x = 0.09-0.91).","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11908","11914","10.1039/c4dt00868e","","","0.71073","MoKα","","0.0604","0.0413","","","0.091","0.0972","","","","","","1.039","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031324","12.1562","0.0016","26.389","0.003","7.3638","0.001","90","","103.069","0.002","90","","2301","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Cl N5 Ni0.53 Pt0.47 S4 -","- C20 H11 Cl N5 Ni0.531 Pt0.469 S4 -","- C80 H44 Cl4 N20 Ni2.124 Pt1.876 S16 -","4","1","","Yuan, Guo-Jun; Yang, Hao; Liu, Shao-Xian; Liu, Jian-Lan; Ren, Xiao-Ming","Precisely tunable magnetic phase transition temperature, TC, through the formation of a molecular alloy in [NixPt1-x(mnt)2](-)-based spin systems (mnt(2-) = maleonitriledithiolate, x = 0.09-0.91).","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11908","11914","10.1039/c4dt00868e","","","0.71073","MoKα","","0.0561","0.0422","","","0.1048","0.1099","","","","","","1.048","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031325","12.177","0.003","26.438","0.007","7.3875","0.0019","90","","102.9","0.003","90","","2318.3","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Cl N5 Ni0.64 Pt0.36 S4 -","- C20 H11 Cl N5 Ni0.635 Pt0.365 S4 -","- C80 H44 Cl4 N20 Ni2.54 Pt1.46 S16 -","4","1","","Yuan, Guo-Jun; Yang, Hao; Liu, Shao-Xian; Liu, Jian-Lan; Ren, Xiao-Ming","Precisely tunable magnetic phase transition temperature, TC, through the formation of a molecular alloy in [NixPt1-x(mnt)2](-)-based spin systems (mnt(2-) = maleonitriledithiolate, x = 0.09-0.91).","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11908","11914","10.1039/c4dt00868e","","","0.71073","MoKα","","0.1027","0.0592","","","0.1418","0.1611","","","","","","1.044","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031326","12.1309","0.0016","26.34","0.004","7.3653","0.001","90","","102.839","0.002","90","","2294.6","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Cl N5 Ni0.73 Pt0.27 S4 -","- C20 H11 Cl N5 Ni0.726 Pt0.274 S4 -","- C80 H44 Cl4 N20 Ni2.904 Pt1.096 S16 -","4","1","","Yuan, Guo-Jun; Yang, Hao; Liu, Shao-Xian; Liu, Jian-Lan; Ren, Xiao-Ming","Precisely tunable magnetic phase transition temperature, TC, through the formation of a molecular alloy in [NixPt1-x(mnt)2](-)-based spin systems (mnt(2-) = maleonitriledithiolate, x = 0.09-0.91).","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11908","11914","10.1039/c4dt00868e","","","0.71073","MoKα","","0.0579","0.0415","","","0.1041","0.113","","","","","","1.029","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031327","12.121","0.002","26.296","0.004","7.3747","0.0013","90","","102.672","0.002","90","","2293.3","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Cl N5 Ni0.84 Pt0.16 S4 -","- C20 H11 Cl N5 Ni0.8446 Pt0.1554 S4 -","- C80 H44 Cl4 N20 Ni3.3784 Pt0.6216 S16 -","4","1","","Yuan, Guo-Jun; Yang, Hao; Liu, Shao-Xian; Liu, Jian-Lan; Ren, Xiao-Ming","Precisely tunable magnetic phase transition temperature, TC, through the formation of a molecular alloy in [NixPt1-x(mnt)2](-)-based spin systems (mnt(2-) = maleonitriledithiolate, x = 0.09-0.91).","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11908","11914","10.1039/c4dt00868e","","","0.71073","MoKα","","0.0721","0.0448","","","0.0991","0.112","","","","","","1.03","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031328","12.1224","0.0015","26.281","0.003","7.3751","0.0009","90","","102.627","0.002","90","","2292.8","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Cl N5 Ni0.91 Pt0.09 S4 -","- C20 H11 Cl N5 Ni0.9148 Pt0.0852 S4 -","- C80 H44 Cl4 N20 Ni3.6592 Pt0.3408 S16 -","4","1","","Yuan, Guo-Jun; Yang, Hao; Liu, Shao-Xian; Liu, Jian-Lan; Ren, Xiao-Ming","Precisely tunable magnetic phase transition temperature, TC, through the formation of a molecular alloy in [NixPt1-x(mnt)2](-)-based spin systems (mnt(2-) = maleonitriledithiolate, x = 0.09-0.91).","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11908","11914","10.1039/c4dt00868e","","","0.71073","MoKα","","0.0698","0.0408","","","0.0891","0.1011","","","","","","1.019","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031329","10.7323","0.0008","12.8099","0.001","17.3311","0.0013","90","","102.411","0.005","90","","2327","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Ag2 Cl2 Mn3 N12 O4 -","- C42 H34 Ag2 Cl2 Mn3 N12 O4 -","- C84 H68 Ag4 Cl4 Mn6 N24 O8 -","2","0.5","","Bikas, Rahman; Hosseini-Monfared, Hassan; Vasylyeva, Vera; Sanchiz, Joaquín; Alonso, Javier; Barandiaran, Jose Manuel; Janiak, Christoph","Heteronuclear, mixed-metal Ag(i)-Mn(ii) coordination polymers with bridging N-pyridinylisonicotinohydrazide ligands: synthesis, crystal structures, magnetic and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11925","11935","10.1039/c4dt01390e","","","1.54178","CuKα","","0.073","0.0485","","","0.0863","0.0941","","","","","","1.028","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031330","7.6594","0.0005","8.3378","0.0005","18.1442","0.0012","90.522","0.003","91.722","0.003","107.291","0.003","1105.67","0.12","96","2","96","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H38 Ag2 Cl2 Mn3 N12 O6 -","- C34 H38 Ag2 Cl2 Mn3 N12 O6 -","- C34 H38 Ag2 Cl2 Mn3 N12 O6 -","1","0.5","","Bikas, Rahman; Hosseini-Monfared, Hassan; Vasylyeva, Vera; Sanchiz, Joaquín; Alonso, Javier; Barandiaran, Jose Manuel; Janiak, Christoph","Heteronuclear, mixed-metal Ag(i)-Mn(ii) coordination polymers with bridging N-pyridinylisonicotinohydrazide ligands: synthesis, crystal structures, magnetic and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11925","11935","10.1039/c4dt01390e","","","1.54178","CuKα","","0.024","0.023","","","0.059","0.0596","","","","","","1.021","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031331","8.3536","0.0002","12.4389","0.0003","12.5317","0.0003","76.432","0.002","88.908","0.002","81.078","0.002","1250.3","0.05","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","aqua[2-(pyridin-2-yl-κ<i>N</i>)phenyl-κ<i>C</i>^1^][2,4,6-tris(trifluoromethyl)phenyl]gold(+) trifluoromethanesulfonate(-)","","- C21 H12 Au F12 N O4 S -","- C21 H12 Au F12 N O4 S -","- C42 H24 Au2 F24 N2 O8 S2 -","2","1","","Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Luminescent monocyclometalated cationic gold(iii) complexes: synthesis, photophysical characterization and catalytic investigations.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11959","11972","10.1039/c4dt01187b","","","0.71073","MoKα","","0.0361","0.0312","","","0.0724","0.0758","","","","","","1.057","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031332","8.6544","0.0002","11.2053","0.0003","16.6644","0.0005","96.532","0.002","93.825","0.002","95.541","0.002","1593.1","0.07","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","(4-phenylpyridine)[2-(pyridin-2-yl-κ<i>N</i>)phenyl-κ<i>C</i>^1^][2,4,6-tris(trifluoromethyl)phenyl]gold(+) trifluoromethanesulfonate(-)","","- C32 H19 Au F12 N2 O3 S -","- C32 H19 Au F12 N2 O3 S -","- C64 H38 Au2 F24 N4 O6 S2 -","2","1","","Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Luminescent monocyclometalated cationic gold(iii) complexes: synthesis, photophysical characterization and catalytic investigations.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11959","11972","10.1039/c4dt01187b","","","0.71073","MoKα","","0.0725","0.0473","","","0.0757","0.088","","","","","","1.038","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031333","8.4101","0.0002","11.9807","0.0002","15.0592","0.0005","96.293","0.002","97.533","0.002","100.257","0.002","1466.4","0.07","183","2","183","1","","","","","","","","7","P -1","-P 1","2","","[2-(pyridin-2-yl-κ<i>N</i>)phenyl-κ<i>C</i>^1^](quinoline)[2,4,6-tris(trifluoromethyl)phenyl]gold(+) trifluoromethanesulfonate(-)","","- C30 H17 Au F12 N2 O3 S -","- C30 H17 Au F12 N2 O3 S -","- C60 H34 Au2 F24 N4 O6 S2 -","2","1","","Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Luminescent monocyclometalated cationic gold(iii) complexes: synthesis, photophysical characterization and catalytic investigations.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11959","11972","10.1039/c4dt01187b","","","0.71073","MoKα","","0.0375","0.0327","","","0.0782","0.0815","","","","","","1.061","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031334","10.0798","0.0002","12.6213","0.0003","12.7654","0.0003","94.426","0.002","110.35","0.002","93.672","0.002","1510.92","0.06","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","(4-fluoroaniline-κ<i>N</i>)[2-(pyridin-2-yl-κ<i>N</i>)phenyl-κ<i>C</i>^1^][2,4,6-tris(trifluoromethyl)phenyl]gold(+) trifluoromethanesulfonate(-) dichloromethane solvate 1/1/0.1","","- C27.1 H16.2 Au Cl0.2 F13 N2 O3 S -","- C27.1 H16.2 Au Cl0.2 F13 N2 O3 S -","- C54.2 H32.4 Au2 Cl0.4 F26 N4 O6 S2 -","2","1","","Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Luminescent monocyclometalated cationic gold(iii) complexes: synthesis, photophysical characterization and catalytic investigations.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11959","11972","10.1039/c4dt01187b","","","0.71073","MoKα","","0.0292","0.0245","","","0.0541","0.0565","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031335","8.5077","0.0003","13.2966","0.0004","14.1736","0.0005","75.678","0.003","76.534","0.003","72.228","0.003","1457.72","0.09","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","(phosphite-κ<i>P</i>)[2-(pyridin-2-yl-κ<i>N</i>)phenyl-κ<i>C</i>^1^][2,4,6-tris(trifluoromethyl)phenyl]gold(+) trifluoromethanesulfonate(-) water solvate 2/2/1","","- C48 H40 Au2 F24 N2 O13 P2 S2 -","- C48 H40 Au2 F24 N2 O13 P2 S2 -","- C48 H40 Au2 F24 N2 O13 P2 S2 -","1","0.5","","Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Luminescent monocyclometalated cationic gold(iii) complexes: synthesis, photophysical characterization and catalytic investigations.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11959","11972","10.1039/c4dt01187b","","","0.71073","MoKα","","0.039","0.0356","","","0.0906","0.0933","","","","","","1.081","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031336","15.2693","0.0004","17.8363","0.0003","16.5578","0.0004","90","","114.62","0.003","90","","4099.53","0.19","183","2","183","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","[2-(pyridin-2-yl-κ<i>N</i>)phenyl-κ<i>C</i>^1^](triphenylphosphane)[2,4,6-tris(trifluoromethyl)phenyl]gold(+) trifluoromethanesulfonate(-) dichloromethane solvate 1/1/1","","- C40 H27 Au Cl2 F12 N O3 P S -","- C40 H27 Au Cl2 F12 N O3 P S -","- C160 H108 Au4 Cl8 F48 N4 O12 P4 S4 -","4","1","","Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Luminescent monocyclometalated cationic gold(iii) complexes: synthesis, photophysical characterization and catalytic investigations.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11959","11972","10.1039/c4dt01187b","","","0.71073","MoKα","","0.0333","0.0268","","","0.0613","0.0647","","","","","","1.03","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031337","17.9986","0.0012","12.5973","0.0009","16.2495","0.001","90","","97.845","0.003","90","","3649.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H27 Cl N6 O3 Sn -","- C42 H27 Cl N6 O3 Sn -","- C168 H108 Cl4 N24 O12 Sn4 -","4","1","","Sinha, Woormileela; Kumar, Mohit; Garai, Antara; Purohit, Chandra Shekhar; Som, Tapobrata; Kar, Sanjib","Semi-insulating behaviour of self-assembled tin(iv)corrole nanospheres.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12564","12573","10.1039/c4dt01257g","","","0.71073","MoKα","","0.099","0.0513","","","0.1181","0.1435","","","","","","1.041","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031338","12.02","0.005","13.221","0.005","15.69","0.005","93.566","0.005","109.752","0.005","106.513","0.005","2215","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H20 Cl N7 Sn -","- C40 H20 Cl N7 Sn -","- C80 H40 Cl2 N14 Sn2 -","2","1","","Sinha, Woormileela; Kumar, Mohit; Garai, Antara; Purohit, Chandra Shekhar; Som, Tapobrata; Kar, Sanjib","Semi-insulating behaviour of self-assembled tin(iv)corrole nanospheres.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12564","12573","10.1039/c4dt01257g","","","0.71069","MoKα","","0.0614","0.0456","","","0.1243","0.1332","","","","","","1.096","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031339","8.258","0.005","15.261","0.005","16.642","0.005","111.107","0.005","103.712","0.005","98.45","0.005","1837.3","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H20 Br Cl N6 Sn -","- C39 H20 Br Cl N6 Sn -","- C78 H40 Br2 Cl2 N12 Sn2 -","2","1","","Sinha, Woormileela; Kumar, Mohit; Garai, Antara; Purohit, Chandra Shekhar; Som, Tapobrata; Kar, Sanjib","Semi-insulating behaviour of self-assembled tin(iv)corrole nanospheres.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12564","12573","10.1039/c4dt01257g","","","0.71069","MoKα","","0.0508","0.0403","","","0.1229","0.1287","","","","","","1.009","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031340","16.3929","0.0014","17.2417","0.0014","20.1103","0.0016","88.307","0.006","74.884","0.006","83.034","0.006","5446.8","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H157 Lu3 N6 O2 Si -","- C105 H157 Lu3 N6 O2 Si -","- C210 H314 Lu6 N12 O4 Si2 -","2","1","","Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Ketkov, Sergey Yu; Shavyrin, Andrey S.; Trifonov, Alexander A.","Trinuclear alkyl hydrido rare-earth complexes supported by amidopyridinato ligands: synthesis, structures, C-Si bond activation and catalytic activity in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14450","14460","10.1039/c4dt00806e","","","0.71073","MoKα","","0.1316","0.0538","","","0.0742","0.0864","","","","","","0.769","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031341","16.223","0.0009","17.7813","0.0009","20.8204","0.0011","75.647","0.001","84.259","0.001","85.635","0.001","5781.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C118 H184.34 N6 O2 Si Y3 -","- C118.002 H184.336 N6 O2 Si Y3 -","- C236.004 H368.672 N12 O4 Si2 Y6 -","2","1","","Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Ketkov, Sergey Yu; Shavyrin, Andrey S.; Trifonov, Alexander A.","Trinuclear alkyl hydrido rare-earth complexes supported by amidopyridinato ligands: synthesis, structures, C-Si bond activation and catalytic activity in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14450","14460","10.1039/c4dt00806e","","","0.71073","MoKα","","0.1802","0.0887","","","0.2136","0.2515","","","","","","0.941","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031342","10.1916","0.0004","11.1132","0.0005","18.1884","0.0007","90.322","0.001","106.202","0.001","91.268","0.001","1977.59","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H54 Cl2 N2 P2 -","- C46 H54 Cl2 N2 P2 -","- C92 H108 Cl4 N4 P4 -","2","1","","Feichtner, Kai-Stephan; Gessner, Viktoria H.","Synthesis and stability of Li/Cl carbenoids based on bis(iminophosphoryl)methanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14399","14408","10.1039/c4dt01466a","","","0.71073","MoKα","","0.0474","0.0378","","","0.0955","0.1018","","","","","","1.023","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031343","15.2691","0.0006","15.6945","0.0006","17.5037","0.0007","86.138","0.001","89.831","0.001","86.267","0.001","4176.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H120 Li4 N4 O2 P4 -","- C98 H120 Li4 N4 O2 P4 -","- C196 H240 Li8 N8 O4 P8 -","2","1","","Feichtner, Kai-Stephan; Gessner, Viktoria H.","Synthesis and stability of Li/Cl carbenoids based on bis(iminophosphoryl)methanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14399","14408","10.1039/c4dt01466a","","","0.71073","MoKα","","0.0553","0.0385","","","0.0906","0.0993","","","","","","1.034","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031344","12.9112","0.0005","15.4801","0.0006","23.1811","0.0009","90.009","0.002","92.105","0.002","90.346","0.002","4629.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H140 Li4 N4 O5 P4 -","- C110 H140 Li4 N4 O5 P4 -","- C220 H280 Li8 N8 O10 P8 -","2","1","","Feichtner, Kai-Stephan; Gessner, Viktoria H.","Synthesis and stability of Li/Cl carbenoids based on bis(iminophosphoryl)methanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14399","14408","10.1039/c4dt01466a","","","0.71073","MoKα","","0.1297","0.0732","","","0.2015","0.2395","","","","","","1.052","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031345","23.271","0.0012","16.1806","0.0008","45.312","0.002","90","","101.385","0.001","90","","16726","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H104 Li4 N4 O4.5 P4 -","- C96 H104 Li4 N4 O4.5 P4 -","- C768 H832 Li32 N32 O36 P32 -","8","2","","Feichtner, Kai-Stephan; Gessner, Viktoria H.","Synthesis and stability of Li/Cl carbenoids based on bis(iminophosphoryl)methanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14399","14408","10.1039/c4dt01466a","","","0.71073","MoKα","","0.0867","0.0531","","","0.1163","0.1339","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031346","10.5406","0.0004","18.6971","0.0007","21.1513","0.0009","90","","102.982","0.001","90","","4061.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H59 Cl N2 O P2 -","- C49 H59 Cl N2 O P2 -","- C196 H236 Cl4 N8 O4 P8 -","4","1","","Feichtner, Kai-Stephan; Gessner, Viktoria H.","Synthesis and stability of Li/Cl carbenoids based on bis(iminophosphoryl)methanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14399","14408","10.1039/c4dt01466a","","","0.71073","MoKα","","0.0391","0.0342","","","0.0918","0.0958","","","","","","1.045","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031347","9.1841","0.0013","13.989","0.002","15.738","0.002","95.644","0.005","105.321","0.005","101.501","0.005","1886.4","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H44 Cl Li N2 O P2 -","- C43 H44 Cl Li N2 O P2 -","- C86 H88 Cl2 Li2 N4 O2 P4 -","2","1","","Feichtner, Kai-Stephan; Gessner, Viktoria H.","Synthesis and stability of Li/Cl carbenoids based on bis(iminophosphoryl)methanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14399","14408","10.1039/c4dt01466a","","","0.71073","MoKα","","0.0617","0.0402","","","0.0848","0.0943","","","","","","1.015","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031348","10.6152","0.0001","10.0959","0.0001","25.9337","0.0002","90","","94","","90","","2772.54","0.04","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H70 Mo2 N2 O14 -","- C54 H70 Mo2 N2 O14 -","- C108 H140 Mo4 N4 O28 -","2","0.5","","Alberding, Brian G.; Chisholm, Malcolm H.; Durr, Christopher B.; Gallucci, Judith C.; Ghosh, Yagnaseni; Spilker, Thomas F.","4-Nitrophenyl- and 4'-nitro-1,1'-biphenyl-4-carboxylates attached to Mo2 quadruple bonds: ground versus excited state M2δ-ligand conjugation.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11397","11403","10.1039/c4dt01073f","","x-ray","0.71073","MoKα","","0.0437","0.029","","","0.0679","0.0723","","","","","","1.06","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031349","9.2907","0.0004","10.2235","0.0004","16.6685","0.0006","91.619","0.003","91.911","0.003","113.207","0.004","1452.84","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 Eu2 N6 O18 -","- C18 H24 Eu2 N6 O18 -","- C36 H48 Eu4 N12 O36 -","2","1","","Arauzo, A.; Lazarescu, A.; Shova, S.; Bartolomé, E; Cases, R.; Luzón, J; Bartolomé, J; Turta, C.","Structural and magnetic properties of some lanthanide (Ln = Eu(iii), Gd(iii) and Nd(iii)) cyanoacetate polymers: field-induced slow magnetic relaxation in the Gd and Nd substitutions.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12342","12356","10.1039/c4dt01104j","","","0.71073","MoKα","","0.0296","0.0235","","","0.0541","0.0552","","","","","","1.013","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031350","9.24","0.0004","10.191","0.0004","16.519","0.0007","91.341","0.002","91.921","0.002","113.132","0.002","1428.51","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 Gd2 N6 O18 -","- C18 H24 Gd2 N6 O18 -","- C36 H48 Gd4 N12 O36 -","2","1","","Arauzo, A.; Lazarescu, A.; Shova, S.; Bartolomé, E; Cases, R.; Luzón, J; Bartolomé, J; Turta, C.","Structural and magnetic properties of some lanthanide (Ln = Eu(iii), Gd(iii) and Nd(iii)) cyanoacetate polymers: field-induced slow magnetic relaxation in the Gd and Nd substitutions.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12342","12356","10.1039/c4dt01104j","","","0.71073","MoKα","","0.0646","0.05","","","0.1284","0.1413","","","","","","1.065","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031351","8.384","0.0003","9.5243","0.0004","11.922","0.0003","110.603","0.003","98.264","0.003","93.229","0.003","875.96","0.06","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H58 Cu2 Li2 N2 -","- C36 H58 Cu2 Li2 N2 -","- C36 H58 Cu2 Li2 N2 -","1","0.5","","Bomparola, Roberta; Davies, Robert P.; Hornaeur, Stefan; White, Andrew J. P.","Lithium heterocuprates: the influence of the amido group on organoamidocuprate structures.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14359","14367","10.1039/c4dt00965g","","","1.54184","CuKα","","0.0259","0.0247","","","0.0713","0.0719","","","","","","1.057","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031352","11.8596","0.0003","17.2486","0.0003","22.514","0.0005","90","","101.228","0.002","90","","4517.35","0.17","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 Cu2 Li2 N8 -","- C44 H68 Cu2 Li2 N8 -","- C176 H272 Cu8 Li8 N32 -","4","1","","Bomparola, Roberta; Davies, Robert P.; Hornaeur, Stefan; White, Andrew J. P.","Lithium heterocuprates: the influence of the amido group on organoamidocuprate structures.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14359","14367","10.1039/c4dt00965g","","","0.71073","MoKα","","0.1332","0.0704","","","0.169","0.2089","","","","","","1.021","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031353","21.0141","0.0006","21.6688","0.0008","8.1686","0.0003","90","","90","","90","","3719.6","0.2","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 2","P 2 2ab","18","","","","- C38 H44 Cu2 F6 Li2 N2 -","- C38 H44 Cu2 F6 Li2 N2 -","- C152 H176 Cu8 F24 Li8 N8 -","4","1","","Bomparola, Roberta; Davies, Robert P.; Hornaeur, Stefan; White, Andrew J. P.","Lithium heterocuprates: the influence of the amido group on organoamidocuprate structures.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14359","14367","10.1039/c4dt00965g","","x-ray","0.71073","MoKα","","0.0866","0.0603","","","0.1301","0.1438","","","","","","1.045","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031354","8.18271","0.0001","20.1947","0.0003","27.0549","0.0003","90","","92.4412","0.001","90","","4466.69","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","hexakis(N-methylimidazole) zinc(II) bis(trifluoromethylsulfony)limide","","- C28 H36 F12 N14 O8 S4 Zn -","- C28 H36 F12 N14 O8 S4 Zn -","- C112 H144 F48 N56 O32 S16 Zn4 -","4","1","","Steichen, Marc; Brooks, Neil R.; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Homoleptic and heteroleptic N-alkylimidazole zinc(ii)-containing ionic liquids for high current density electrodeposition.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12329","12341","10.1039/c4dt00182f","","","0.71073","MoKα","","0.0361","0.0293","","","0.0667","0.0701","","","","","","1.054","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031355","11.0834","0.0005","11.1196","0.0004","20.2237","0.0007","90","","98.423","0.004","90","","2465.54","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","hexakis(N-ethylimidazole) zinc(II) bis(trifluoromethylsulfony)limide","","- C34 H48 F12 N14 O8 S4 Zn -","- C34 H48 F12 N14 O8 S4 Zn -","- C68 H96 F24 N28 O16 S8 Zn2 -","2","0.5","","Steichen, Marc; Brooks, Neil R.; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Homoleptic and heteroleptic N-alkylimidazole zinc(ii)-containing ionic liquids for high current density electrodeposition.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12329","12341","10.1039/c4dt00182f","","","0.71073","MoKα","","0.0315","0.0273","","","0.0651","0.0675","","","","","","1.033","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031356","11.0036","0.0003","11.1127","0.0003","20.1049","0.0005","90","","98.316","0.002","90","","2432.57","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","N-methylimidazole pentakis(N-ethylimidazole) zinc(II) bis(trifluoromethylsulfony)limide","N-methylimidazole pentakis(N-ethylimidazole) zinc(II) bis(trifluoromethylsulfony)limide","","- C33 H46 F12 N14 O8 S4 Zn -","- C33.002 H46.004 F12 N14 O8 S4 Zn -","- C66.004 H92.008 F24 N28 O16 S8 Zn2 -","2","0.5","","Steichen, Marc; Brooks, Neil R.; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Homoleptic and heteroleptic N-alkylimidazole zinc(ii)-containing ionic liquids for high current density electrodeposition.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12329","12341","10.1039/c4dt00182f","","","0.71073","MoKα","","0.0305","0.0268","","","0.0657","0.0678","","","","","","1.05","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031357","10.9682","0.0004","11.1202","0.0004","20.0576","0.0006","90","","98.463","0.003","90","","2419.76","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","bis(N-methylimidazole) tetrakis(N-ethylimidazole) zinc(II) bis(trifluoromethylsulfony)limide","bis(N-methylimidazole) tetrakis(N-ethylimidazole) zinc(II) bis(trifluoromethylsulfony)limide","","- C32 H44 F12 N14 O8 S4 Zn -","- C32 H44 F12 N14 O8 S4 Zn -","- C64 H88 F24 N28 O16 S8 Zn2 -","2","0.5","","Steichen, Marc; Brooks, Neil R.; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Homoleptic and heteroleptic N-alkylimidazole zinc(ii)-containing ionic liquids for high current density electrodeposition.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12329","12341","10.1039/c4dt00182f","","","0.71073","MoKα","","0.0278","0.0256","","","0.0634","0.0647","","","","","","1.03","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031358","8.3667","0.0002","11.5721","0.0003","24.0909","0.0004","90","","95.811","0.002","90","","2320.5","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4.5(N-methylimidazole) 1.5(N-ethylimidazole) zinc(II) bis(trifluoromethylsulfony)limide","4.5(N-methylimidazole) 1.5(N-ethylimidazole) zinc(II) bis(trifluoromethylsulfony)limide","","- C29.5 H39 F12 N14 O8 S4 Zn -","- C29.5 H39 F12 N14 O8 S4 Zn -","- C59 H78 F24 N28 O16 S8 Zn2 -","2","0.5","","Steichen, Marc; Brooks, Neil R.; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Homoleptic and heteroleptic N-alkylimidazole zinc(ii)-containing ionic liquids for high current density electrodeposition.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12329","12341","10.1039/c4dt00182f","","","0.71073","MoKα","","0.0622","0.0511","","","0.1294","0.1383","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031359","23.735","0.002","10.4695","0.001","18.5654","0.0017","90","","90","","90","","4613.4","0.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C45 H74 B Li N2 O3 -","- C45 H74 B Li N2 O3 -","- C180 H296 B4 Li4 N8 O12 -","4","1","","Chen, Mingwei; Wang, Yuzhong; Gilliard, Robert J.; Jr,; Wei, Pingrong; Schwartz, Nichole A.; Robinson, Gregory H.","Synthesis and molecular structure of an abnormal carbene-gallium chloride complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14211","14214","10.1039/c4dt00933a","","","0.71073","MoKα","","0.1351","0.0584","","","0.1268","0.1633","","","","","","1.018","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031360","11.4236","0.0006","20.7234","0.0011","29.0681","0.0016","90","","90","","90","","6881.5","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H44 Cl3 Ga N2 O -","- C31 H44 Cl3 Ga N2 O -","- C248 H352 Cl24 Ga8 N16 O8 -","8","1","","Chen, Mingwei; Wang, Yuzhong; Gilliard, Robert J.; Jr,; Wei, Pingrong; Schwartz, Nichole A.; Robinson, Gregory H.","Synthesis and molecular structure of an abnormal carbene-gallium chloride complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14211","14214","10.1039/c4dt00933a","","","0.71073","MoKα","","0.0826","0.047","","","0.1181","0.1391","","","","","","1.016","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031361","9.4189","0.0015","20.58","0.003","19.841","0.003","90","","102.73","0.003","90","","3751.5","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H98 B2 Cl6 Ga2 N4 -","- C69 H98 B2 Cl6 Ga2 N4 -","- C138 H196 B4 Cl12 Ga4 N8 -","2","0.5","","Chen, Mingwei; Wang, Yuzhong; Gilliard, Robert J.; Jr,; Wei, Pingrong; Schwartz, Nichole A.; Robinson, Gregory H.","Synthesis and molecular structure of an abnormal carbene-gallium chloride complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14211","14214","10.1039/c4dt00933a","","","0.71073","MoKα","","0.0994","0.0602","","","0.167","0.194","","","","","","1.055","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031375","4.2495","0.00012","4.2495","0.00012","41.299","0.003","90","","90","","120","","645.87","0.05","297","2","297","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","Germanium Tin Antimony Telluride","Germanium Tin Antimony Telluride","","- Ge0.75 Sb2 Sn0.25 Te4 -","- Ge0.751 Sb2 Sn0.25 Te4 -","- Ge2.253 Sb6 Sn0.75 Te12 -","3","0.0833333","","Welzmiller, Simon; Rosenthal, Tobias; Ganter, Pirmin; Neudert, Lukas; Fahrnbauer, Felix; Urban, Philipp; Stiewe, Christian; de Boor, Johannes; Oeckler, Oliver","Layered germanium tin antimony tellurides: element distribution, nanostructures and thermoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10529","10540","10.1039/c4dt00336e","powder diffraction","x-ray","","CuKα~1~","","","","","","","","","0.036","1.326","","","","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031376","4.2638","0.0001","4.2638","0.0001","41.346","0.003","90","","90","","120","","650.97","0.05","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","germanium tin antimony telluride","","","- Ge0.6 Sb2 Sn0.4 Te4 -","- Ge0.601 Sb1.999 Sn0.4 Te4 -","- Ge1.803 Sb5.997 Sn1.2 Te12 -","3","0.0833333","","Welzmiller, Simon; Rosenthal, Tobias; Ganter, Pirmin; Neudert, Lukas; Fahrnbauer, Felix; Urban, Philipp; Stiewe, Christian; de Boor, Johannes; Oeckler, Oliver","Layered germanium tin antimony tellurides: element distribution, nanostructures and thermoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10529","10540","10.1039/c4dt00336e","","x-ray","0.42468","synchrotron","","0.0411","0.0362","","","0.0509","0.0516","","","","1.59","1.59","1.46","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031377","4.2579","0.0001","4.2579","0.0001","17.3657","0.0014","90","","90","","120","","272.66","0.02","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","germanium tin antimony telluride","","","- Ge1.3 Sb2 Sn0.7 Te5 -","- Ge1.3 Sb2 Sn0.7 Te5 -","- Ge1.3 Sb2 Sn0.7 Te5 -","1","0.0833333","","Welzmiller, Simon; Rosenthal, Tobias; Ganter, Pirmin; Neudert, Lukas; Fahrnbauer, Felix; Urban, Philipp; Stiewe, Christian; de Boor, Johannes; Oeckler, Oliver","Layered germanium tin antimony tellurides: element distribution, nanostructures and thermoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10529","10540","10.1039/c4dt00336e","","x-ray","0.38979","synchrotron","","0.047","0.0393","","","0.0722","0.0753","","","","1.53","1.53","1.41","","","","has coordinates","288070","2023-12-06","12:56:41",""
"7031378","4.27072","0.00012","4.27072","0.00012","41.376","0.003","90","","90","","120","","653.55","0.05","297","2","297","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","Germanium Tin Antimony Telluride","Germanium Tin Antimony Telluride","","- Ge0.5 Sb2 Sn0.5 Te4 -","- Ge0.501 Sb2 Sn0.501 Te4 -","- Ge1.503 Sb6 Sn1.503 Te12 -","3","0.0833333","","Welzmiller, Simon; Rosenthal, Tobias; Ganter, Pirmin; Neudert, Lukas; Fahrnbauer, Felix; Urban, Philipp; Stiewe, Christian; de Boor, Johannes; Oeckler, Oliver","Layered germanium tin antimony tellurides: element distribution, nanostructures and thermoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10529","10540","10.1039/c4dt00336e","powder diffraction","x-ray","","CuKα~1~","","","","","","","","","0.03292","1.478","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031379","4.28656","0.00014","4.28656","0.00014","41.495","0.004","90","","90","","120","","660.3","0.07","297","2","297","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","Germanium Tin Antimony Telluride","Germanium Tin Antimony Telluride","","- Ge0.25 Sb2 Sn0.75 Te4 -","- Ge0.25 Sb2 Sn0.751 Te4 -","- Ge0.75 Sb6 Sn2.253 Te12 -","3","0.0833333","","Welzmiller, Simon; Rosenthal, Tobias; Ganter, Pirmin; Neudert, Lukas; Fahrnbauer, Felix; Urban, Philipp; Stiewe, Christian; de Boor, Johannes; Oeckler, Oliver","Layered germanium tin antimony tellurides: element distribution, nanostructures and thermoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10529","10540","10.1039/c4dt00336e","powder diffraction","x-ray","","CuKα~1~","","","","","","","","","0.03317","1.567","","","","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031380","4.27486","0.00007","4.27486","0.00007","17.4165","0.0008","90","","90","","120","","275.636","0.014","297","2","297","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","Germanium Tin Antimony Telluride","Germanium Tin Antimony Telluride","","- Ge Sb2 Sn Te5 -","- Ge Sb2 Sn Te5 -","- Ge Sb2 Sn Te5 -","1","0.0833333","","Welzmiller, Simon; Rosenthal, Tobias; Ganter, Pirmin; Neudert, Lukas; Fahrnbauer, Felix; Urban, Philipp; Stiewe, Christian; de Boor, Johannes; Oeckler, Oliver","Layered germanium tin antimony tellurides: element distribution, nanostructures and thermoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10529","10540","10.1039/c4dt00336e","powder diffraction","x-ray","","CuKα~1~","","","","","","","","","0.01581","1.43","","","","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031381","10.736","0.002","14.75","0.003","16.89","0.003","90","","102.2","0.03","90","","2614.2","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H88 N4 O6 Sr2 -","- C44 H88 N4 O6 Sr2 -","- C88 H176 N8 O12 Sr4 -","2","0.5","","George, Sheby Mary; Kim, Hyo-Suk; Lah, Myoung Soo; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","Synthesis of new heteroleptic strontium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14461","14469","10.1039/c4dt00689e","","","0.71073","MoKα","","0.077","0.0422","","","0.082","0.0905","","","","","","1.039","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031382","17.275","0.004","10.216","0.002","19.675","0.004","90","","113.21","0.03","90","","3191.2","1.4","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C54 H112 N6 O6 Sr2 -","- C54 H112 N6 O6 Sr2 -","- C108 H224 N12 O12 Sr4 -","2","1","","George, Sheby Mary; Kim, Hyo-Suk; Lah, Myoung Soo; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","Synthesis of new heteroleptic strontium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14461","14469","10.1039/c4dt00689e","","","0.71073","MoKα","","0.0573","0.0383","","","0.0809","0.0919","","","","","","1.024","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031383","12.915","0.003","14.502","0.003","16.512","0.003","90","","99.99","0.03","90","","3045.7","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H106 N6 O6 Sr2 -","- C52 H106 N6 O6 Sr2 -","- C104 H212 N12 O12 Sr4 -","2","0.5","","George, Sheby Mary; Kim, Hyo-Suk; Lah, Myoung Soo; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","Synthesis of new heteroleptic strontium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14461","14469","10.1039/c4dt00689e","","","0.71073","MoKα","","0.0882","0.0434","","","0.0933","0.1429","","","","","","1.161","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031384","29.008","0.006","11.542","0.002","19.15","0.004","90","","94.86","0.03","90","","6389","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H110 N6 O6 Sr2 -","- C54 H110 N6 O6 Sr2 -","- C216 H440 N24 O24 Sr8 -","4","1","","George, Sheby Mary; Kim, Hyo-Suk; Lah, Myoung Soo; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","Synthesis of new heteroleptic strontium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14461","14469","10.1039/c4dt00689e","","","0.71073","MoKα","","0.1068","0.054","","","0.0984","0.1165","","","","","","1.029","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031385","26.451","0.004","26.451","0.004","13.425","0.003","90","","90","","90","","9393","3","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C80 H156 N4 O16 Sr4 -","- C80 H156 N4 O16 Sr4 -","- C320 H624 N16 O64 Sr16 -","4","0.25","","George, Sheby Mary; Kim, Hyo-Suk; Lah, Myoung Soo; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","Synthesis of new heteroleptic strontium complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14461","14469","10.1039/c4dt00689e","","","0.71073","MoKα","","0.0904","0.0508","","","0.1035","0.1205","","","","","","1.07","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031386","9.45","0.003","18.825","0.006","12.001","0.004","90","","106.273","0.008","90","","2049.4","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 N4 Ni3 O10 -","- C38 H54 N4 Ni3 O10 -","- C76 H108 N8 Ni6 O20 -","2","0.5","","Bhattacharya, Sagarika; Sasmal, Sujit; Carrella, Luca; Rentschler, Eva; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of a series of μ-phenoxo-μ1,1-carboxylato-μ1,3-carboxylato trinickel(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12065","12076","10.1039/c4dt00862f","","","0.71073","MoKα","","0.0368","0.0299","","","0.1011","0.1081","","","","","","1.047","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031387","13.709","0.003","14.024","0.003","16.63","0.004","111.754","0.003","95.086","0.004","111.703","0.003","2663","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H57 N5 Ni3 O10 -","- C56 H57 N5 Ni3 O10 -","- C112 H114 N10 Ni6 O20 -","2","1","","Bhattacharya, Sagarika; Sasmal, Sujit; Carrella, Luca; Rentschler, Eva; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of a series of μ-phenoxo-μ1,1-carboxylato-μ1,3-carboxylato trinickel(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12065","12076","10.1039/c4dt00862f","","","0.71073","MoKα","","0.1943","0.0849","","","0.1932","0.2378","","","","","","1.075","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031388","9.2422","0.0016","11.427","0.002","11.94","0.002","71.389","0.007","86.472","0.007","68.48","0.006","1109.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 N6 Ni3 O10 -","- C40 H56 N6 Ni3 O10 -","- C40 H56 N6 Ni3 O10 -","1","0.5","","Bhattacharya, Sagarika; Sasmal, Sujit; Carrella, Luca; Rentschler, Eva; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of a series of μ-phenoxo-μ1,1-carboxylato-μ1,3-carboxylato trinickel(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12065","12076","10.1039/c4dt00862f","","","0.71073","MoKα","","0.0795","0.0387","","","0.1098","0.1337","","","","","","0.833","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031389","9.721","0.002","18.581","0.004","12.238","0.003","90","","104.402","0.008","90","","2141","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 N4 Ni3 O10 -","- C40 H58 N4 Ni3 O10 -","- C80 H116 N8 Ni6 O20 -","2","0.5","","Bhattacharya, Sagarika; Sasmal, Sujit; Carrella, Luca; Rentschler, Eva; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of a series of μ-phenoxo-μ1,1-carboxylato-μ1,3-carboxylato trinickel(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12065","12076","10.1039/c4dt00862f","","","0.71073","MoKα","","0.0399","0.03","","","0.1045","0.1186","","","","","","0.949","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031390","21.737","0.017","10.824","0.008","23.427","0.018","90","","103.02","0.009","90","","5370","7","296","2","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H60 Cl2 N4 Ni3 O10 -","- C57 H60 Cl2 N4 Ni3 O10 -","- C228 H240 Cl8 N16 Ni12 O40 -","4","0.5","","Bhattacharya, Sagarika; Sasmal, Sujit; Carrella, Luca; Rentschler, Eva; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of a series of μ-phenoxo-μ1,1-carboxylato-μ1,3-carboxylato trinickel(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12065","12076","10.1039/c4dt00862f","","","0.71073","MoKα","","0.0568","0.0427","","","0.1096","0.1178","","","","","","1.042","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031391","9.5838","0.0003","18.8156","0.0007","11.9457","0.0004","90","","106.117","0.001","90","","2069.44","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 N4 Ni3 O12 -","- C38 H54 N4 Ni3 O12 -","- C76 H108 N8 Ni6 O24 -","2","0.5","","Bhattacharya, Sagarika; Sasmal, Sujit; Carrella, Luca; Rentschler, Eva; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of a series of μ-phenoxo-μ1,1-carboxylato-μ1,3-carboxylato trinickel(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12065","12076","10.1039/c4dt00862f","","","0.71073","MoKα","","0.0501","0.0333","","","0.1029","0.1185","","","","","","0.835","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031392","10.9987","0.0016","19.977","0.003","15.049","0.002","90","","109.934","0.004","90","","3108.5","0.8","296","2","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H60 Cl6 N4 Ni3 O12 -","- C57 H60 Cl6 N4 Ni3 O12 -","- C114 H120 Cl12 N8 Ni6 O24 -","2","0.5","","Bhattacharya, Sagarika; Sasmal, Sujit; Carrella, Luca; Rentschler, Eva; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of a series of μ-phenoxo-μ1,1-carboxylato-μ1,3-carboxylato trinickel(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12065","12076","10.1039/c4dt00862f","","","0.71073","MoKα","","0.0869","0.0509","","","0.1353","0.1567","","","","","","1.018","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031393","11.205","0.0018","12.005","0.002","13.346","0.002","107.023","0.005","103.618","0.006","104.109","0.005","1571.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H60 Cl4 N6 Ni3 O14 -","- C58 H56 Cl4 N6 Ni3 O14 -","- C58 H56 Cl4 N6 Ni3 O14 -","1","0.5","","Bhattacharya, Sagarika; Sasmal, Sujit; Carrella, Luca; Rentschler, Eva; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of a series of μ-phenoxo-μ1,1-carboxylato-μ1,3-carboxylato trinickel(ii) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12065","12076","10.1039/c4dt00862f","","","0.71073","MoKα","","0.0592","0.0482","","","0.1503","0.1619","","","","","","1.032","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031394","9.399","0.007","12.413","0.009","13.5909","0.001","90","","90","","90","","1585.6","1.7","100","","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- H7.5 I0.5 Lu2 O6.5 -","- I0.5 Lu2 O6.5 -","- I4 Lu16 O52 -","8","1","","Southworth, Faye Y.; Wilson, Claire; Coles, Simon J.; Fogg, Andrew M.","Synthesis and characterisation of a new anion exchangeable layered hydroxyiodide.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10451","10455","10.1039/c4dt00123k","","","0.6889","","","0.1148","0.0833","","","0.2135","0.2367","","","","","","0.988","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031395","7.7497","0.0003","7.7663","0.0003","14.7514","0.0006","91.129","0.003","102.966","0.003","90.85","0.003","864.86","0.06","298","0.2","298","0.2","","","","","","","","4","P -1","-P 1","2","","","","- Ba I6 O18 Zr -","- Ba I6 O18 Zr -","- Ba2 I12 O36 Zr2 -","2","1","","Ahn, Hyun Sun; Lee, Dong Woo; Ok, Kang Min","Dimensionality variations in new zirconium iodates: hydrothermal syntheses, structural determination, and characterization of BaZr(IO3)6 and K2Zr(IO3)6.","Dalton transactions (Cambridge, England : 2003)","2014","43","27","10456","10461","10.1039/c4dt00008k","","","0.71073","MoKα","","0.0907","0.0421","","","0.0473","0.0617","","","","","","0.838","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031396","10.3495","0.0013","11.0583","0.0011","18.5966","0.0018","101.113","0.008","96.726","0.009","90.084","0.009","2073.4","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H62 N12 Na2 -","- C38 H62 N12 Na2 -","- C76 H124 N24 Na4 -","2","1","","Armstrong, David R.; Brouillet, Etienne V.; Kennedy, Alan R.; Garden, Jennifer A.; Granitzka, Markus; Mulvey, Robert E.; Trivett, Joshua J.","Donor-activated alkali metal dipyridylamides: co-complexation reactions with zinc alkyls and reactivity studies with benzophenone.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14409","14423","10.1039/c4dt00914b","","","1.5418","CuKα","","0.2075","0.151","","","0.4185","0.4457","","","","","","1.167","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031397","15.8743","0.0008","12.4146","0.0007","19.8597","0.0011","90","","90","","90","","3913.8","0.4","123","2","123","2","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- C36 H56 N10 Na2 O2 -","- C36 H56 N10 Na2 O2 -","- C144 H224 N40 Na8 O8 -","4","1","","Armstrong, David R.; Brouillet, Etienne V.; Kennedy, Alan R.; Garden, Jennifer A.; Granitzka, Markus; Mulvey, Robert E.; Trivett, Joshua J.","Donor-activated alkali metal dipyridylamides: co-complexation reactions with zinc alkyls and reactivity studies with benzophenone.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14409","14423","10.1039/c4dt00914b","","","0.71073","MoKα","","0.1119","0.0769","","","0.197","0.2266","","","","","","1.014","","","","has coordinates,has disorder","180019","2020-10-21","18:00:00",""
"7031398","22.5759","0.0004","9.583","0.0002","16.0729","0.0003","90","","99.734","0.002","90","","3427.23","0.12","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N6 Zn -","- C20 H16 N6 Zn -","- C160 H128 N48 Zn8 -","8","1","","Armstrong, David R.; Brouillet, Etienne V.; Kennedy, Alan R.; Garden, Jennifer A.; Granitzka, Markus; Mulvey, Robert E.; Trivett, Joshua J.","Donor-activated alkali metal dipyridylamides: co-complexation reactions with zinc alkyls and reactivity studies with benzophenone.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14409","14423","10.1039/c4dt00914b","","","1.54178","CuKα","","0.037","0.0344","","","0.0971","0.1","","","","","","1.074","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031399","11.1516","0.0011","12.6605","0.0012","13.3783","0.0013","85.243","0.002","69.278","0.001","88.683","0.002","1760.5","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H44 B Cl Li N4 O2 -","- C37 H44 B Cl Li N4 O2 -","- C74 H88 B2 Cl2 Li2 N8 O4 -","2","1","","Xu, Songchen; Everett, William C.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Oxygen insertion reactions of mixed N-heterocyclic carbene-oxazolinylborato zinc alkyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14368","14376","10.1039/c4dt01011f","","x-ray","0.71073","MoKα","","0.061","0.0424","","","0.0963","0.1062","","","","","","1.02","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031400","29.1593","0.0015","29.1593","0.0015","19.403","0.003","90","","90","","120","","14287","2","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","Sad219","","","- C29 H37 B N4 O2 Zn -","- C29 H37 B N4 O2 Zn -","- C522 H666 B18 N72 O36 Zn18 -","18","1","","Xu, Songchen; Everett, William C.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Oxygen insertion reactions of mixed N-heterocyclic carbene-oxazolinylborato zinc alkyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14368","14376","10.1039/c4dt01011f","","","0.71073","MoKα","","0.0571","0.0432","","","0.1517","0.1646","","","","","","1.076","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031401","28.79","0.003","28.79","0.003","20.2593","0.0017","90","","90","","120","","14542","2","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32.5 H45 B N4 O2 Zn -","- C30 H39 B N4 O2 Zn -","- C540 H702 B18 N72 O36 Zn18 -","18","1","","Xu, Songchen; Everett, William C.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Oxygen insertion reactions of mixed N-heterocyclic carbene-oxazolinylborato zinc alkyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14368","14376","10.1039/c4dt01011f","","","0.71073","MoKα","","0.0432","0.0314","","","0.0839","0.0878","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031402","9.4966","0.0012","26.859","0.003","13.4049","0.0016","90","","96.814","0.0019","90","","3395","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H47 B N4 O4 Zn -","- C33.5 H39 B N4 O4 Zn -","- C134 H156 B4 N16 O16 Zn4 -","4","1","","Xu, Songchen; Everett, William C.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Oxygen insertion reactions of mixed N-heterocyclic carbene-oxazolinylborato zinc alkyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14368","14376","10.1039/c4dt01011f","","","0.71073","MoKα","","0.0537","0.0448","","","0.1329","0.1398","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031403","9.6154","0.0001","19.0693","0.0002","17.4036","0.0002","90","","99.043","0.0006","90","","3151.44","0.06","200","","200","","","","","","","","from RMIT University","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 P2 Pt S2 -","- C36 H28 P2 Pt S2 -","- C144 H112 P8 Pt4 S8 -","4","1","","Privér, Steven H; Bennett, Martin A.; Willis, Anthony C.; Pottabathula, Srinivas; Lakshmi Kantam, M.; Bhargava, Suresh K.","ortho-Metallated triphenylphosphine chalcogenide complexes of platinum and palladium: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12000","12012","10.1039/c4dt01236d","","","0.71073","MoKα","","0.0374","0.0248","","0.1335","0.079","0.1335","","","","","","0.776","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031404","16.0935","0.0004","11.4059","0.0002","22.5098","0.0004","90","","107.274","0.001","90","","3945.55","0.14","200","","200","","","","","","","","from RMIT University","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cl4 P2 Pt Se2 -","- C40 H36 Cl4 P2 Pt Se2 -","- C160 H144 Cl16 P8 Pt4 Se8 -","4","0.5","","Privér, Steven H; Bennett, Martin A.; Willis, Anthony C.; Pottabathula, Srinivas; Lakshmi Kantam, M.; Bhargava, Suresh K.","ortho-Metallated triphenylphosphine chalcogenide complexes of platinum and palladium: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12000","12012","10.1039/c4dt01236d","","","0.71073","MoKα","","0.0622","0.0468","","0.1167","0.1118","0.1167","","","","","","0.9215","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031405","16.0798","0.0002","11.3798","0.0002","22.5745","0.0003","90","","107.268","0.0008","90","","3944.6","0.1","200","","200","","","","","","","","from RMIT University","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cl4 P2 Pd Se2 -","- C40 H36 Cl4 P2 Pd Se2 -","- C160 H144 Cl16 P8 Pd4 Se8 -","4","0.5","","Privér, Steven H; Bennett, Martin A.; Willis, Anthony C.; Pottabathula, Srinivas; Lakshmi Kantam, M.; Bhargava, Suresh K.","ortho-Metallated triphenylphosphine chalcogenide complexes of platinum and palladium: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12000","12012","10.1039/c4dt01236d","","","0.71073","MoKα","","0.0398","0.033","","0.0937","0.0916","0.0937","","","","","","1.0021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031406","10.957","0.0001","12.5765","0.0002","15.0107","0.0002","102.72","0.0007","103.906","0.0009","103.125","0.0008","1870.99","0.05","200","","200","","","","","","","","from RMIT University","6","P -1","-P 1","2","","","","- C40 H34 O4 P2 Pd2 S2 -","- C40 H34 O4 P2 Pd2 S2 -","- C80 H68 O8 P4 Pd4 S4 -","2","1","","Privér, Steven H; Bennett, Martin A.; Willis, Anthony C.; Pottabathula, Srinivas; Lakshmi Kantam, M.; Bhargava, Suresh K.","ortho-Metallated triphenylphosphine chalcogenide complexes of platinum and palladium: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12000","12012","10.1039/c4dt01236d","","","0.71073","MoKα","","0.0344","0.028","","0.0691","0.0656","0.0691","","","","","","1.0064","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031407","9.158","0.0002","16.9618","0.0003","27.7043","0.0006","90","","90.7247","0.0012","90","","4303.14","0.15","200","","200","","","","","","","","from RMIT University","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 O2 P Pd S -","- C23 H21 O2 P Pd S -","- C184 H168 O16 P8 Pd8 S8 -","8","2","","Privér, Steven H; Bennett, Martin A.; Willis, Anthony C.; Pottabathula, Srinivas; Lakshmi Kantam, M.; Bhargava, Suresh K.","ortho-Metallated triphenylphosphine chalcogenide complexes of platinum and palladium: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12000","12012","10.1039/c4dt01236d","","","0.71073","MoKα","","0.0707","0.0378","","0.0857","0.0772","0.0857","","","","","","0.9847","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031408","9.1347","0.0001","10.9341","0.0002","15.6582","0.0003","86.9669","0.0009","84.7318","0.0011","76.1404","0.0011","1511.22","0.04","200","","200","","","","","","","","from RMIT University","6","P -1","-P 1","2","","","","- C36 H29 Cl P2 Pd S -","- C36 H29 Cl P2 Pd S -","- C72 H58 Cl2 P4 Pd2 S2 -","2","1","","Privér, Steven H; Bennett, Martin A.; Willis, Anthony C.; Pottabathula, Srinivas; Lakshmi Kantam, M.; Bhargava, Suresh K.","ortho-Metallated triphenylphosphine chalcogenide complexes of platinum and palladium: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12000","12012","10.1039/c4dt01236d","","","0.71073","MoKα","","0.0342","0.0287","","0.0698","0.0673","0.0698","","","","","","1.0043","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031409","19.7141","0.0002","11.2461","0.0001","24.1286","0.0002","90","","98.3879","0.0004","90","","5292.25","0.08","200","","200","","","","","","","","from RMIT University","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H46 Cl3 O P3 Pd3 S3 -","- C55 H42 Cl3 O P3 Pd3 S3 -","- C220 H168 Cl12 O4 P12 Pd12 S12 -","4","1","","Privér, Steven H; Bennett, Martin A.; Willis, Anthony C.; Pottabathula, Srinivas; Lakshmi Kantam, M.; Bhargava, Suresh K.","ortho-Metallated triphenylphosphine chalcogenide complexes of platinum and palladium: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12000","12012","10.1039/c4dt01236d","","","0.71073","MoKα","","0.0416","0.0312","","0.0767","0.072","0.0767","","","","","","1.0064","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031410","9.0444","0.0002","32.6774","0.0006","10.7989","0.0002","90","","94.9592","0.0008","90","","3179.64","0.11","200","","200","","","","","","","","from RMIT University","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 Cl P2 Pd Se -","- C36 H29 Cl P2 Pd Se -","- C144 H116 Cl4 P8 Pd4 Se4 -","4","1","","Privér, Steven H; Bennett, Martin A.; Willis, Anthony C.; Pottabathula, Srinivas; Lakshmi Kantam, M.; Bhargava, Suresh K.","ortho-Metallated triphenylphosphine chalcogenide complexes of platinum and palladium: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12000","12012","10.1039/c4dt01236d","","","0.71073","MoKα","","0.0365","0.0236","","0.0927","0.068","0.0927","","","","","","0.7946","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031411","19.3124","0.0002","12.3355","0.0001","22.5574","0.0002","90","","114.962","0.0004","90","","4871.83","0.08","200","","200","","","","","","","","from RMIT University","7","P 1 21/n 1","-P 2yn","14","","","","- C54.376 H44.504 Cl2 O0.376 P3 Pd2 Se -","- C54.376 H44.504 Cl2 O0.376 P3 Pd2 Se -","- C217.504 H178.016 Cl8 O1.504 P12 Pd8 Se4 -","4","1","","Privér, Steven H; Bennett, Martin A.; Willis, Anthony C.; Pottabathula, Srinivas; Lakshmi Kantam, M.; Bhargava, Suresh K.","ortho-Metallated triphenylphosphine chalcogenide complexes of platinum and palladium: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12000","12012","10.1039/c4dt01236d","","","0.71073","MoKα","","0.0399","0.0275","","0.0612","0.0571","0.0612","","","","","","0.9874","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031412","12.3871","0.0002","12.4707","0.0002","19.1951","0.0004","74.7759","0.0008","86.7437","0.0011","76.0615","0.0011","2776.81","0.09","200","","200","","","","","","","","from RMIT University","7","P -1","-P 1","2","","","","- C59 H55 Cl4 O P3 Pd2 Se -","- C59 H55 Cl4 O P3 Pd2 Se -","- C118 H110 Cl8 O2 P6 Pd4 Se2 -","2","1","","Privér, Steven H; Bennett, Martin A.; Willis, Anthony C.; Pottabathula, Srinivas; Lakshmi Kantam, M.; Bhargava, Suresh K.","ortho-Metallated triphenylphosphine chalcogenide complexes of platinum and palladium: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12000","12012","10.1039/c4dt01236d","","","0.71073","MoKα","","0.051","0.038","","0.0995","0.0921","0.0995","","","","","","0.9964","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031413","10.2542","0.0002","11.4908","0.0002","12.9393","0.0003","106.114","0.0009","109.715","0.0012","96.5437","0.0012","1342.05","0.05","200","","200","","","","","","","","from RMITU","7","P -1","-P 1","2","","","","- C32 H26 N O2 P Pd S -","- C32 H26 N O2 P Pd S -","- C64 H52 N2 O4 P2 Pd2 S2 -","2","1","","Privér, Steven H; Bennett, Martin A.; Willis, Anthony C.; Pottabathula, Srinivas; Lakshmi Kantam, M.; Bhargava, Suresh K.","ortho-Metallated triphenylphosphine chalcogenide complexes of platinum and palladium: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12000","12012","10.1039/c4dt01236d","","","0.71073","MoKα","","0.0333","0.0274","","0.0672","0.0651","0.0672","","","","","","0.9964","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031414","8.2026","0.0002","11.32","0.0003","15.5766","0.0004","81.6051","0.0012","84.968","0.0017","71.6954","0.0016","1357.09","0.06","200","","200","","","","","","","","from RMITU","7","P -1","-P 1","2","","","","- C31 H23 N2 O3 P Pd Se -","- C31 H23 N2 O3 P Pd Se -","- C62 H46 N4 O6 P2 Pd2 Se2 -","2","1","","Privér, Steven H; Bennett, Martin A.; Willis, Anthony C.; Pottabathula, Srinivas; Lakshmi Kantam, M.; Bhargava, Suresh K.","ortho-Metallated triphenylphosphine chalcogenide complexes of platinum and palladium: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12000","12012","10.1039/c4dt01236d","","","0.71073","MoKα","","0.044","0.0306","","0.0683","0.0641","0.0683","","","","","","0.9827","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031415","13.0481","0.0002","9.1069","0.0002","23.0277","0.0003","90","","91.587","0.0011","90","","2735.28","0.08","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N2 O3 P Pd Se -","- C31 H23 N2 O3 P Pd Se -","- C124 H92 N8 O12 P4 Pd4 Se4 -","4","1","","Privér, Steven H; Bennett, Martin A.; Willis, Anthony C.; Pottabathula, Srinivas; Lakshmi Kantam, M.; Bhargava, Suresh K.","ortho-Metallated triphenylphosphine chalcogenide complexes of platinum and palladium: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12000","12012","10.1039/c4dt01236d","","","0.71073","MoKα","","0.0446","0.0307","","0.0666","0.0622","0.0666","","","","","","0.9854","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031416","12.485","0.002","8.9394","0.0014","14.694","0.002","90","","99.993","0.003","90","","1615.1","0.4","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H36 Cu F6 N4 O7 S2 -","- C26 H36 Cu F6 N4 O7 S2 -","- C52 H72 Cu2 F12 N8 O14 S4 -","2","1","","Das, Anjan; Kureshy, Rukhsana I.; Maity, Nabin Ch; Subramanian, P. S.; Khan, Noor-Ul H; Abdi, Sayed H. R.; Suresh, E.; Bajaj, Hari C.","Synthesis and characterization of new chiral Cu(ii)-N4 complexes and their application in the asymmetric aza-Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12357","12364","10.1039/c4dt01202j","","","0.71073","MoKα","","0.0986","0.0795","","","0.1712","0.1795","","","","","","1.102","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031417","16.983","0.002","24.133","0.003","21.952","0.003","90","","90.464","0.002","90","","8997","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68.6 H189.21 Mg6 Mo22 N12 O94 -","- C68.6 H189.2 Mg6 Mo22 N12 O94 -","- C137.2 H378.4 Mg12 Mo44 N24 O188 -","2","0.5","","Kuznetsov, Denis A.; Fedyanin, Ivan V.; Lyssenko, Konstantin A.; Bazhenova, Tamara A.","Retrosynthetic approach to the design of molybdenum-magnesium oxoalkoxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12876","","10.1039/c4dt01035c","","","0.71073","MoKα","","0.1047","0.0644","","","0.1689","0.1933","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031418","9.6698","0.0006","11.2114","0.0007","13.5351","0.0008","100.797","0.001","104.167","0.001","114.359","0.001","1225.11","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H64 Mg2 Mo6 N4 O28 -","- C24 H64 Mg2 Mo6 N4 O28 -","- C24 H64 Mg2 Mo6 N4 O28 -","1","0.5","","Kuznetsov, Denis A.; Fedyanin, Ivan V.; Lyssenko, Konstantin A.; Bazhenova, Tamara A.","Retrosynthetic approach to the design of molybdenum-magnesium oxoalkoxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12876","","10.1039/c4dt01035c","","","0.71073","MoKα","","0.0399","0.0306","","","0.0784","0.084","","","","","","1.027","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031419","7.9676","0.0008","17.3716","0.0018","19.067","0.002","90","","94.353","0.002","90","","2631.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H72 Mg2 Mo6 N4 O30 -","- C26 H72 Mg2 Mo6 N4 O30 -","- C52 H144 Mg4 Mo12 N8 O60 -","2","0.5","","Kuznetsov, Denis A.; Fedyanin, Ivan V.; Lyssenko, Konstantin A.; Bazhenova, Tamara A.","Retrosynthetic approach to the design of molybdenum-magnesium oxoalkoxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12876","","10.1039/c4dt01035c","","","0.71073","MoKα","","0.0454","0.0315","","","0.0598","0.0647","","","","","","1.036","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031420","8.8482","0.001","28.556","0.003","9.6563","0.0011","90","","105.008","0.002","90","","2356.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H60 Mg2 Mo6 O30 -","- C18 H60 Mg2 Mo6 O30 -","- C36 H120 Mg4 Mo12 O60 -","2","0.5","","Kuznetsov, Denis A.; Fedyanin, Ivan V.; Lyssenko, Konstantin A.; Bazhenova, Tamara A.","Retrosynthetic approach to the design of molybdenum-magnesium oxoalkoxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12876","","10.1039/c4dt01035c","","","0.71073","MoKα","","0.0761","0.0579","","","0.1304","0.1362","","","","","","1.073","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031421","12.086","0.002","13.745","0.003","17.615","0.004","90","","106.75","0.03","90","","2802.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H68 Mg2 Mo6 N8 O28 -","- C28 H68 Mg2 Mo6 N8 O28 -","- C56 H136 Mg4 Mo12 N16 O56 -","2","0.5","","Kuznetsov, Denis A.; Fedyanin, Ivan V.; Lyssenko, Konstantin A.; Bazhenova, Tamara A.","Retrosynthetic approach to the design of molybdenum-magnesium oxoalkoxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12876","","10.1039/c4dt01035c","","","0.71073","MoKα","","0.0442","0.0339","","","0.0854","0.0922","","","","","","1.047","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031422","39.69","0.004","39.69","0.004","9.2538","0.0009","90","","90","","120","","12624","2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C20 H56 Mg2 Mo6 N4 O28 -","- C20 H56 Mg2 Mo6 N4 O28 -","- C180 H504 Mg18 Mo54 N36 O252 -","9","0.5","","Kuznetsov, Denis A.; Fedyanin, Ivan V.; Lyssenko, Konstantin A.; Bazhenova, Tamara A.","Retrosynthetic approach to the design of molybdenum-magnesium oxoalkoxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12876","","10.1039/c4dt01035c","","","0.71073","MoKα","","0.0544","0.0375","","","0.0954","0.1006","","","","","","1.028","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031423","8.3106","0.0002","12.2167","0.0003","17.4089","0.0004","107.973","0.001","90.09","0.001","97.935","0.002","1663.31","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 B F15 Zr -","- C37 H24 B F15 Zr -","- C74 H48 B2 F30 Zr2 -","2","1","","Bender, Georg; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Erker, Gerhard","Reaction of five-membered zirconacycloallenoids with the strong Lewis acid B(C6F5)3.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12210","12213","10.1039/c4dt01137f","","","0.71073","MoKα","","0.0726","0.0555","","","0.1094","0.1212","","","","","","1.126","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031424","11.9272","0.0002","22.9097","0.0003","18.2983","0.0002","90","","106.009","0.001","90","","4806.08","0.12","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 B F15 Zr -","- C56 H42 B F15 Zr -","- C224 H168 B4 F60 Zr4 -","4","1","","Bender, Georg; Daniliuc, Constantin G.; Wibbeling, Birgit; Kehr, Gerald; Erker, Gerhard","Reaction of five-membered zirconacycloallenoids with the strong Lewis acid B(C6F5)3.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12210","12213","10.1039/c4dt01137f","","","0.71073","MoKα","","0.0485","0.0389","","","0.0828","0.0894","","","","","","1.07","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031425","10.9355","0.0008","10.9355","0.0008","34.918","0.003","90","","90","","90","","4175.7","0.6","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C24 H40 Ge4 N4 O6 S10 -","- C24 H28 Ge4 N4 O6 S10 -","- C96 H112 Ge16 N16 O24 S40 -","4","0.25","","Sun, Xiao-Lu; Zhu, Qin-Yu; Mu, Wen-Qin; Qian, Li-Wen; Yu, Lan; Wu, Jing; Bian, Guo-Qing; Dai, Jie","Ion pair charge-transfer thiogermanate salts [MV]2Ge4S10·xSol: solvent induced crystal transformation and photocurrent responsive properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12582","12589","10.1039/c4dt01289e","","","0.71075","MoKα","","0.0511","0.0397","","","0.0909","0.0961","","","","","","1.127","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031426","9.2968","0.0015","21.035","0.003","21.516","0.004","90","","101.997","0.005","90","","4115.7","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Ge4 N4 O6 S10 -","- C24 H28 Ge4 N4 O6 S10 -","- C96 H112 Ge16 N16 O24 S40 -","4","0.5","","Sun, Xiao-Lu; Zhu, Qin-Yu; Mu, Wen-Qin; Qian, Li-Wen; Yu, Lan; Wu, Jing; Bian, Guo-Qing; Dai, Jie","Ion pair charge-transfer thiogermanate salts [MV]2Ge4S10·xSol: solvent induced crystal transformation and photocurrent responsive properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12582","12589","10.1039/c4dt01289e","","","0.71075","MoKα","","0.1454","0.0876","","","0.1293","0.1465","","","","","","1.184","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031427","10.0424","0.0008","11.5726","0.0012","17.4356","0.0018","79.485","0.014","74.554","0.013","74.835","0.014","1871.2","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H32 Ge4 N4 O S10 -","- C25 H32 Ge4 N4 O S10 -","- C50 H64 Ge8 N8 O2 S20 -","2","1","","Sun, Xiao-Lu; Zhu, Qin-Yu; Mu, Wen-Qin; Qian, Li-Wen; Yu, Lan; Wu, Jing; Bian, Guo-Qing; Dai, Jie","Ion pair charge-transfer thiogermanate salts [MV]2Ge4S10·xSol: solvent induced crystal transformation and photocurrent responsive properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12582","12589","10.1039/c4dt01289e","","","0.71075","MoKα","","0.1332","0.0784","","","0.1116","0.1308","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031428","18.2559","0.0008","9.4353","0.0004","23.1349","0.001","90","","93.337","0.004","90","","3978.2","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H55 Au B Cl4 N2 P -","- C38 H55 Au B Cl4 N2 P -","- C152 H220 Au4 B4 Cl16 N8 P4 -","4","1","","Davies, Laura H.; Harrington, Ross W.; Clegg, William; Higham, Lee J.","(B)R2BodPR2: highly fluorescent alternatives to PPh3 and PhPCy2.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13485","13499","10.1039/c4dt00704b","","","0.71073","MoKα","","0.0401","0.0307","","","0.0628","0.0668","","","","","","1.059","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031429","8.9183","0.0014","15.431","0.003","17.126","0.003","106.221","0.002","91.812","0.002","97.007","0.002","2240.8","0.7","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H63 Au B Cl N2 O0.5 P -","- C49 H63 Au B Cl N2 O0.5 P -","- C98 H126 Au2 B2 Cl2 N4 O P2 -","2","1","","Davies, Laura H.; Harrington, Ross W.; Clegg, William; Higham, Lee J.","(B)R2BodPR2: highly fluorescent alternatives to PPh3 and PhPCy2.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13485","13499","10.1039/c4dt00704b","","","0.6889","synchrotron","","0.0574","0.0432","","","0.0917","0.0964","","","","","","1.098","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031430","34.386","0.006","10.3299","0.0019","24.444","0.005","90","","107.786","0.002","90","","8268","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C79 H109 Ag B2 F6 N4 O2 P2 -","- C79 H109 Ag B2 F6 N4 O2 P2 -","- C316 H436 Ag4 B8 F24 N16 O8 P8 -","4","0.5","","Davies, Laura H.; Harrington, Ross W.; Clegg, William; Higham, Lee J.","(B)R2BodPR2: highly fluorescent alternatives to PPh3 and PhPCy2.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13485","13499","10.1039/c4dt00704b","","","0.6889","synchrotron","","0.1893","0.0839","","","0.1797","0.2293","","","","","","1.019","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031431","13.7756","0.0006","10.2495","0.0005","33.6122","0.0017","90","","91.672","0.004","90","","4743.8","0.4","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C96 H118 B2 Cl6 Cu F6 N4 P3 -","- C96 H118 B2 Cl6 Cu F6 N4 P3 -","- C192 H236 B4 Cl12 Cu2 F12 N8 P6 -","2","0.5","","Davies, Laura H.; Harrington, Ross W.; Clegg, William; Higham, Lee J.","(B)R2BodPR2: highly fluorescent alternatives to PPh3 and PhPCy2.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13485","13499","10.1039/c4dt00704b","","","0.71073","MoKα","","0.1101","0.0827","","","0.2032","0.2228","","","","","","1.072","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031432","11.249","0.0002","17.1875","0.0004","26.6167","0.0006","93.8881","0.0019","93.6056","0.0017","92.9238","0.0019","5116.22","0.19","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C102 H131 B2 Cl6 Cu F6 N5 O P3 -","- C102 H131 B2 Cl6 Cu F6 N5 O P3 -","- C204 H262 B4 Cl12 Cu2 F12 N10 O2 P6 -","2","1","","Davies, Laura H.; Harrington, Ross W.; Clegg, William; Higham, Lee J.","(B)R2BodPR2: highly fluorescent alternatives to PPh3 and PhPCy2.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13485","13499","10.1039/c4dt00704b","","","0.71073","MoKα","","0.1027","0.0728","","","0.1983","0.2236","","","","","","1.023","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031433","10.7978","0.0006","12.4349","0.0007","28.272","0.0015","80.643","0.004","86.405","0.004","72.103","0.005","3564","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H90 B2 Cu F6 N4 O P3 -","- C76 H90 B2 Cu F6 N4 O P3 -","- C152 H180 B4 Cu2 F12 N8 O2 P6 -","2","1","","Davies, Laura H.; Harrington, Ross W.; Clegg, William; Higham, Lee J.","(B)R2BodPR2: highly fluorescent alternatives to PPh3 and PhPCy2.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13485","13499","10.1039/c4dt00704b","","","1.54178","CuKα","","0.0909","0.0617","","","0.1497","0.1729","","","","","","1.035","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031434","22.626","0.002","10.2574","0.0008","20.8126","0.0019","90","","111.403","0.01","90","","4497.2","0.7","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C98 H102 B2 Cu N4 O2 P2 -","- C98 H102 B2 Cu N4 O2 P2 -","- C196 H204 B4 Cu2 N8 O4 P4 -","2","0.5","","Davies, Laura H.; Harrington, Ross W.; Clegg, William; Higham, Lee J.","(B)R2BodPR2: highly fluorescent alternatives to PPh3 and PhPCy2.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13485","13499","10.1039/c4dt00704b","","","0.71073","MoKα","","0.1409","0.0803","","","0.1884","0.2213","","","","","","1.033","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031435","29.596","0.007","8.231","0.002","31.073","0.012","90","","102.186","0.002","90","","7399","4","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C47 H46 B N2 P -","- C47 H46 B N2 P -","- C376 H368 B8 N16 P8 -","8","1","","Davies, Laura H.; Harrington, Ross W.; Clegg, William; Higham, Lee J.","(B)R2BodPR2: highly fluorescent alternatives to PPh3 and PhPCy2.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13485","13499","10.1039/c4dt00704b","","","0.6889","synchrotron","","0.0681","0.0457","","","0.105","0.1133","","","","","","1.065","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031436","17.8281","0.0006","16.4975","0.0004","28.2893","0.0012","90","","93.976","0.005","90","","8300.4","0.5","150","2","150","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C99 H93 Ag B2 F6 N4 O2 P2 -","- C99 H93 Ag B2 F6 N4 O2 P2 -","- C396 H372 Ag4 B8 F24 N16 O8 P8 -","4","0.5","","Davies, Laura H.; Harrington, Ross W.; Clegg, William; Higham, Lee J.","(B)R2BodPR2: highly fluorescent alternatives to PPh3 and PhPCy2.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13485","13499","10.1039/c4dt00704b","","","1.54178","CuKα","","0.0742","0.0476","","","0.1163","0.1272","","","","","","0.958","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031437","9.5273","0.0007","15.9516","0.001","28.6394","0.0014","90","","90","","90","","4352.5","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H47 Au B Cl4 N2 P -","- C48 H47 Au B Cl4 N2 P -","- C192 H188 Au4 B4 Cl16 N8 P4 -","4","1","","Davies, Laura H.; Harrington, Ross W.; Clegg, William; Higham, Lee J.","(B)R2BodPR2: highly fluorescent alternatives to PPh3 and PhPCy2.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13485","13499","10.1039/c4dt00704b","","","1.54178","CuKα","","0.0601","0.0544","","","0.1457","0.1495","","","","","","1.002","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031438","17.015","0.003","16.611","0.004","22.891","0.006","90","","90","","90","","6470","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H38 Cl2 Cu N2 O -","- C34 H38 Cl2 Cu N2 O -","- C272 H304 Cl16 Cu8 N16 O8 -","8","1","","Fliedel, Christophe; Rosa, Vitor; Santos, Carla I. M.; Gonzalez, Pablo J.; Almeida, Rui M.; Gomes, Clara S. B.; Gomes, Pedro T.; Lemos, M Amélia N D A; Aullón, Gabriel; Welter, Richard; Avilés, Teresa","Copper(ii) complexes of bis(aryl-imino)acenaphthene ligands: synthesis, structure, DFT studies and evaluation in reverse ATRP of styrene.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13041","","10.1039/c4dt01069h","","","0.71073","MoKα","","0.135","0.0809","","","0.2144","0.239","","","","","","1.094","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031439","11.704","0.0004","29.032","0.001","11.9346","0.0004","90","","105.32","0.03","90","","3911.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H42 Cl4 Cu N2 -","- C37 H42 Cl4 Cu N2 -","- C148 H168 Cl16 Cu4 N8 -","4","1","","Fliedel, Christophe; Rosa, Vitor; Santos, Carla I. M.; Gonzalez, Pablo J.; Almeida, Rui M.; Gomes, Clara S. B.; Gomes, Pedro T.; Lemos, M Amélia N D A; Aullón, Gabriel; Welter, Richard; Avilés, Teresa","Copper(ii) complexes of bis(aryl-imino)acenaphthene ligands: synthesis, structure, DFT studies and evaluation in reverse ATRP of styrene.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13041","","10.1039/c4dt01069h","","","0.71073","MoKα","","0.0965","0.0698","","","0.1581","0.1686","","","","","","1.057","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031440","16.264","0.0011","12.223","0.001","22.271","0.001","90","","132.99","0.05","90","","3238","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H80 Cl2 Cu2 N4 -","- C72 H80 Cl2 Cu2 N4 -","- C144 H160 Cl4 Cu4 N8 -","2","0.5","","Fliedel, Christophe; Rosa, Vitor; Santos, Carla I. M.; Gonzalez, Pablo J.; Almeida, Rui M.; Gomes, Clara S. B.; Gomes, Pedro T.; Lemos, M Amélia N D A; Aullón, Gabriel; Welter, Richard; Avilés, Teresa","Copper(ii) complexes of bis(aryl-imino)acenaphthene ligands: synthesis, structure, DFT studies and evaluation in reverse ATRP of styrene.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13041","","10.1039/c4dt01069h","","","0.7107","MoKα","","0.1014","0.0646","","","0.1683","0.1995","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031441","20.7561","0.0008","8.0356","0.0003","26.8757","0.0012","90","","90","","90","","4482.5","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H20 B Br2 F2 N3 -","- C25 H20 B Br2 F2 N3 -","- C200 H160 B8 Br16 F16 N24 -","8","2","","Kesavan, Praseetha E.; Gupta, Iti","Carbazole substituted boron dipyrromethenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12405","12413","10.1039/c4dt01160k","","","1.54187","CuKα","","0.0833","0.076","","","0.1918","0.2017","","","","","","1.04","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031442","14.613","0.0004","18.4723","0.0005","7.8475","0.0002","90","","104.506","0.007","90","","2050.79","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 B F2 N3 -","- C25 H22 B F2 N3 -","- C100 H88 B4 F8 N12 -","4","1","","Kesavan, Praseetha E.; Gupta, Iti","Carbazole substituted boron dipyrromethenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12405","12413","10.1039/c4dt01160k","","","1.54187","CuKα","","0.0403","0.0381","","","0.0948","0.0965","","","","","","1.058","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031443","9.0172","0.0003","15.0295","0.0006","12.2995","0.0005","90","","94.9522","0.0017","90","","1660.66","0.11","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H46 Ir N4 -","- C40 H46 Ir N4 -","- C80 H92 Ir2 N8 -","2","1","","Phillips, Nicholas; Tang, Christina Y.; Tirfoin, Rémi; Kelly, Michael J.; Thompson, Amber L.; Gutmann, Matthias J.; Aldridge, Simon","Modulating reactivity in iridium bis(N-heterocyclic carbene) complexes: influence of ring size on E-H bond activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12288","12298","10.1039/c4dt01398k","","","0.71073","MoKα","","0.0877","0.0492","","0.0946","0.0832","0.0946","","","","","","0.9235","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031444","17.3193","0.0002","18.8464","0.0002","15.1207","0.0001","90","","96","","90","","4908.46","0.08","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Cl Ir N4 O -","- C54 H76 Cl Ir N4 O -","- C216 H304 Cl4 Ir4 N16 O4 -","4","1","","Phillips, Nicholas; Tang, Christina Y.; Tirfoin, Rémi; Kelly, Michael J.; Thompson, Amber L.; Gutmann, Matthias J.; Aldridge, Simon","Modulating reactivity in iridium bis(N-heterocyclic carbene) complexes: influence of ring size on E-H bond activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12288","12298","10.1039/c4dt01398k","","","0.71073","MoKα","","0.0659","0.0356","","0.0745","0.0566","0.0745","","","","","","0.9719","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031445","15.8693","0.0001","12.3445","0.0001","21.145","0.0002","90","","104.697","0.0004","90","","4006.75","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cl Ir N4 -","- C42 H52 Cl Ir N4 -","- C168 H208 Cl4 Ir4 N16 -","4","1","","Phillips, Nicholas; Tang, Christina Y.; Tirfoin, Rémi; Kelly, Michael J.; Thompson, Amber L.; Gutmann, Matthias J.; Aldridge, Simon","Modulating reactivity in iridium bis(N-heterocyclic carbene) complexes: influence of ring size on E-H bond activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12288","12298","10.1039/c4dt01398k","","","0.71073","MoKα","","0.0424","0.0282","","0.0732","0.0611","0.0732","","","","","","0.9283","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031446","17.0027","0.0001","19.4001","0.0001","23.4149","0.0002","90","","90","","90","","7723.5","0.09","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H54 Cl Ir N4 -","- C42 H54 Cl Ir N4 -","- C336 H432 Cl8 Ir8 N32 -","8","1","","Phillips, Nicholas; Tang, Christina Y.; Tirfoin, Rémi; Kelly, Michael J.; Thompson, Amber L.; Gutmann, Matthias J.; Aldridge, Simon","Modulating reactivity in iridium bis(N-heterocyclic carbene) complexes: influence of ring size on E-H bond activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12288","12298","10.1039/c4dt01398k","","","0.71073","MoKα","","0.0643","0.0311","","0.0768","0.0542","0.0768","","","","","","1.0092","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031447","42.9414","0.0005","21.5369","0.0003","8.42331","0.00009","90","","90","","90","","7790.08","0.16","150","","150","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C44 H56 Cl Ir N4 -","- C44 H56 Cl Ir N4 -","- C352 H448 Cl8 Ir8 N32 -","8","0.5","","Phillips, Nicholas; Tang, Christina Y.; Tirfoin, Rémi; Kelly, Michael J.; Thompson, Amber L.; Gutmann, Matthias J.; Aldridge, Simon","Modulating reactivity in iridium bis(N-heterocyclic carbene) complexes: influence of ring size on E-H bond activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12288","12298","10.1039/c4dt01398k","","","1.5418","CuKα","","0.0211","0.0211","","0.0571","0.0571","0.0571","","","","","","1.0634","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031448","22.1025","0.0002","14.5368","0.0001","23.3691","0.0002","90","","111.973","0.0004","90","","6963.08","0.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H62 B F24 Ir N4 -","- C72 H62 B F24 Ir N4 -","- C288 H248 B4 F96 Ir4 N16 -","4","1","","Phillips, Nicholas; Tang, Christina Y.; Tirfoin, Rémi; Kelly, Michael J.; Thompson, Amber L.; Gutmann, Matthias J.; Aldridge, Simon","Modulating reactivity in iridium bis(N-heterocyclic carbene) complexes: influence of ring size on E-H bond activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12288","12298","10.1039/c4dt01398k","","","0.71073","MoKα","","0.0879","0.0476","","0.1074","0.0777","0.1074","","","","","","0.9852","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031449","12.5841","0.0002","17.9389","0.0003","18.2196","0.0003","86.8231","0.0006","69.928","0.0007","87.6703","0.0006","3856.21","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H78 B2 F24 Ir N5 -","- C77 H78 B2 F24 Ir N5 -","- C154 H156 B4 F48 Ir2 N10 -","2","1","","Phillips, Nicholas; Tang, Christina Y.; Tirfoin, Rémi; Kelly, Michael J.; Thompson, Amber L.; Gutmann, Matthias J.; Aldridge, Simon","Modulating reactivity in iridium bis(N-heterocyclic carbene) complexes: influence of ring size on E-H bond activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12288","12298","10.1039/c4dt01398k","","","0.71073","MoKα","","0.1004","0.0552","","0.1205","0.0877","0.1205","","","","","","0.979","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031450","12.7291","0.0001","17.5467","0.0002","18.0265","0.0002","88.2727","0.0004","70.2021","0.0005","87.5305","0.0004","3784.27","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H74.86 B2 F24 Ir N5 -","- C76 H74.86 B2 F24 Ir N5 -","- C152 H149.72 B4 F48 Ir2 N10 -","2","1","","Phillips, Nicholas; Tang, Christina Y.; Tirfoin, Rémi; Kelly, Michael J.; Thompson, Amber L.; Gutmann, Matthias J.; Aldridge, Simon","Modulating reactivity in iridium bis(N-heterocyclic carbene) complexes: influence of ring size on E-H bond activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12288","12298","10.1039/c4dt01398k","","","0.71073","MoKα","","0.0486","0.0411","","0.1042","0.0947","0.1042","","","","","","0.9128","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031451","12.689","0.003","17.5549","0.0016","17.948","0.004","88.275","0.019","70.175","0.017","87.82","0.02","3757.7","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H74.7 B2 F24 Ir N5 -","- C76 H74.7 B2 F24 Ir N5 -","- C152 H149.4 B4 F48 Ir2 N10 -","2","1","","Phillips, Nicholas; Tang, Christina Y.; Tirfoin, Rémi; Kelly, Michael J.; Thompson, Amber L.; Gutmann, Matthias J.; Aldridge, Simon","Modulating reactivity in iridium bis(N-heterocyclic carbene) complexes: influence of ring size on E-H bond activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12288","12298","10.1039/c4dt01398k","","","","Neutron","","0.106","0.0937","","","0.2053","0.2162","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031452","19.6939","0.0004","27.4554","0.0004","41.4894","0.0009","90","","90","","90","","22433.5","0.7","113","2","113","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","poly[[pentakis-(N,N-dimethylformamide)(μ~10~- 1,3,5,7-tetrakis(5-tetrazolato)adamantane-tris-(μ-chlorido)-chlorido- tetracopper(II)] N,N-dimethylformamide solvate]","","- C32 H54 Cl4 Cu4 N22 O6 -","- C29 H47 Cl4 Cu4 N21 O5 -","- C464 H752 Cl64 Cu64 N336 O80 -","16","0.5","","Boldog, Ishtvan; Domasevitch, Konstantin V.; Sanchiz, Joaquín; Mayer, Peter; Janiak, Christoph","1,3,5,7-Tetrakis(tetrazol-5-yl)-adamantane: the smallest tetrahedral tetrazole-functionalized ligand and its complexes formed by reaction with anhydrous M(ii)Cl2 (M = Mn, Cu, Zn, Cd).","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12590","12605","10.1039/c4dt01022a","","","0.71073","MoKα","","0.0747","0.0681","","","0.1931","0.1989","","","","","","1.066","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7031453","20.8726","0.0007","27.5137","0.0009","43.553","0.0013","90","","90","","90","","25011.7","1.4","113","2","113","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","poly[[heptakis-(N,N-dimethylformamide)(μ~10~- 1,3,5,7-tetrakis(5-tetrazolato)adamantane-tris-(μ-chlorido)-chlorido- tetracadmium(II)] N,N-dimethylformamide solvate]","","- C38 H68 Cd4 Cl4 N24 O8 -","- C38 H61 Cd4 Cl4 N24 O8 -","- C608 H976 Cd64 Cl64 N384 O128 -","16","0.5","","Boldog, Ishtvan; Domasevitch, Konstantin V.; Sanchiz, Joaquín; Mayer, Peter; Janiak, Christoph","1,3,5,7-Tetrakis(tetrazol-5-yl)-adamantane: the smallest tetrahedral tetrazole-functionalized ligand and its complexes formed by reaction with anhydrous M(ii)Cl2 (M = Mn, Cu, Zn, Cd).","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12590","12605","10.1039/c4dt01022a","","","0.71073","MoKα","","0.075","0.0521","","","0.1359","0.1528","","","","","","1.033","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7031454","15.7345","0.0005","20.5801","0.0004","15.7442","0.0004","90","","112.118","0.001","90","","4723.1","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly-[μ~8~-(5,5',5'',5'''-(adamantane-1,3,5,7-tetrayl)- tetrakis-tetrazolato)-dichloro-tetrakis-(N,N-dimethylformamide-κO)- trizinc(II)], N,N-dimethylformamide disolvate","","- C32 H54 Cl2 N22 O6 Zn3 -","- C32 H54 Cl2 N22 O6 Zn3 -","- C128 H216 Cl8 N88 O24 Zn12 -","4","1","","Boldog, Ishtvan; Domasevitch, Konstantin V.; Sanchiz, Joaquín; Mayer, Peter; Janiak, Christoph","1,3,5,7-Tetrakis(tetrazol-5-yl)-adamantane: the smallest tetrahedral tetrazole-functionalized ligand and its complexes formed by reaction with anhydrous M(ii)Cl2 (M = Mn, Cu, Zn, Cd).","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12590","12605","10.1039/c4dt01022a","","","0.71073","MoKα","","0.0578","0.0445","","","0.1071","0.1156","","","","","","1.036","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7031455","21.439","0.004","12.674","0.003","18.917","0.004","90","","90","","90","","5140.1","1.9","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","poly[[bis-(N,N-dimethylformamide)-tetrakis(methanol)-(μ~6~- 1,3,5,7-tetrakis(5-tetrazolato)adamantane-dimanganese(II)] N,N-dimethylformamide, bis-methanol, di-water solvate]","","- C29 H61 Mn2 N19 O11 -","- C24 H38 Mn2 N18 O6 -","- C96 H152 Mn8 N72 O24 -","4","1","","Boldog, Ishtvan; Domasevitch, Konstantin V.; Sanchiz, Joaquín; Mayer, Peter; Janiak, Christoph","1,3,5,7-Tetrakis(tetrazol-5-yl)-adamantane: the smallest tetrahedral tetrazole-functionalized ligand and its complexes formed by reaction with anhydrous M(ii)Cl2 (M = Mn, Cu, Zn, Cd).","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12590","12605","10.1039/c4dt01022a","","","0.71073","MoKα","","0.0884","0.0654","","","0.1693","0.1813","","","","","","0.944","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7031456","13.5601","0.001","11.281","0.0009","12.2599","0.0007","90","","107.667","0.006","90","","1787","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 B N -","- C21 H28 B N -","- C84 H112 B4 N4 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","From C,N- and N,N-chelated chloroboranes to substituted 1H-2,1-benzazaboroles and 1H-pyrrolo[1,2-c][1,3,2]diazaborolidines: a straightforward route to five-membered rings containing the B-N or N-B-N moiety.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12678","12688","10.1039/c4dt01445f","","","0.71073","MoKα","","0.0725","0.0494","","","0.1041","0.1186","","","","","","1.099","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031457","8.8771","0.0003","9.27","0.0003","9.7179","0.0003","74.766","0.003","76.77","0.004","82.477","0.004","748.98","0.04","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 B N -","- C18 H22 B N -","- C36 H44 B2 N2 -","2","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","From C,N- and N,N-chelated chloroboranes to substituted 1H-2,1-benzazaboroles and 1H-pyrrolo[1,2-c][1,3,2]diazaborolidines: a straightforward route to five-membered rings containing the B-N or N-B-N moiety.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12678","12688","10.1039/c4dt01445f","","","0.71073","MoKα","","0.0643","0.0487","","","0.1113","0.1236","","","","","","1.113","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031458","16.5759","0.0008","10.0011","0.0011","14.427","0.0007","90","","91.314","0.004","90","","2391","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 B N2 -","- C29 H31 B N2 -","- C116 H124 B4 N8 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","From C,N- and N,N-chelated chloroboranes to substituted 1H-2,1-benzazaboroles and 1H-pyrrolo[1,2-c][1,3,2]diazaborolidines: a straightforward route to five-membered rings containing the B-N or N-B-N moiety.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12678","12688","10.1039/c4dt01445f","","","0.71073","MoKα","","0.0738","0.0507","","","0.1061","0.1226","","","","","","1.113","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031459","20.142","0.0019","9.909","0.0011","37.433","0.003","90","","97.702","0.006","90","","7403.7","1.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B N -","- C31 H32 B N -","- C372 H384 B12 N12 -","12","3","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","From C,N- and N,N-chelated chloroboranes to substituted 1H-2,1-benzazaboroles and 1H-pyrrolo[1,2-c][1,3,2]diazaborolidines: a straightforward route to five-membered rings containing the B-N or N-B-N moiety.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12678","12688","10.1039/c4dt01445f","","","0.71073","MoKα","","0.1071","0.0656","","","0.1169","0.1369","","","","","","1.18","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031460","10.4121","0.0008","12.088","0.0006","17.275","0.0009","90","","101.555","0.006","90","","2130.2","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 B N -","- C26 H30 B N -","- C104 H120 B4 N4 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","From C,N- and N,N-chelated chloroboranes to substituted 1H-2,1-benzazaboroles and 1H-pyrrolo[1,2-c][1,3,2]diazaborolidines: a straightforward route to five-membered rings containing the B-N or N-B-N moiety.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12678","12688","10.1039/c4dt01445f","","","0.71073","MoKα","","0.0783","0.0521","","","0.1063","0.1226","","","","","","1.169","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031461","10.979","0.0008","9.778","0.0003","17.0041","0.001","90","","127.218","0.006","90","","1453.67","0.18","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 B Cl N2 -","- C15 H18 B Cl N2 -","- C60 H72 B4 Cl4 N8 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","From C,N- and N,N-chelated chloroboranes to substituted 1H-2,1-benzazaboroles and 1H-pyrrolo[1,2-c][1,3,2]diazaborolidines: a straightforward route to five-membered rings containing the B-N or N-B-N moiety.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12678","12688","10.1039/c4dt01445f","","","0.71073","MoKα","","0.0663","0.045","","","0.0954","0.1096","","","","","","1.102","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031462","10.391","0.0009","11.971","0.0008","17.1839","0.0012","90","","103.239","0.007","90","","2080.7","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 B N2 -","- C24 H29 B N2 -","- C96 H116 B4 N8 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","From C,N- and N,N-chelated chloroboranes to substituted 1H-2,1-benzazaboroles and 1H-pyrrolo[1,2-c][1,3,2]diazaborolidines: a straightforward route to five-membered rings containing the B-N or N-B-N moiety.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12678","12688","10.1039/c4dt01445f","","","0.71073","MoKα","","0.0878","0.0556","","","0.1105","0.1301","","","","","","1.143","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031463","13.333","0.0007","11.1231","0.001","12.042","0.0008","90","","106.788","0.005","90","","1709.8","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 B N2 -","- C19 H27 B N2 -","- C76 H108 B4 N8 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","From C,N- and N,N-chelated chloroboranes to substituted 1H-2,1-benzazaboroles and 1H-pyrrolo[1,2-c][1,3,2]diazaborolidines: a straightforward route to five-membered rings containing the B-N or N-B-N moiety.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12678","12688","10.1039/c4dt01445f","","","0.71073","MoKα","","0.055","0.0424","","","0.1011","0.1145","","","","","","1.088","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031464","10.359","0.0006","13.026","0.0012","18.498","0.002","90","","90","","90","","2496.1","0.4","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 B Cl3 N -","- C26 H29 B Cl3 N -","- C104 H116 B4 Cl12 N4 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","From C,N- and N,N-chelated chloroboranes to substituted 1H-2,1-benzazaboroles and 1H-pyrrolo[1,2-c][1,3,2]diazaborolidines: a straightforward route to five-membered rings containing the B-N or N-B-N moiety.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12678","12688","10.1039/c4dt01445f","","","0.71073","MoKα","","0.0586","0.0427","","","0.081","0.0902","","","","","","1.196","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031465","12.3332","0.0004","13.012","0.0002","14.1703","0.0004","90","","108.492","0.003","90","","2156.63","0.11","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 B Cl4 N -","- C20 H24 B Cl4 N -","- C80 H96 B4 Cl16 N4 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","From C,N- and N,N-chelated chloroboranes to substituted 1H-2,1-benzazaboroles and 1H-pyrrolo[1,2-c][1,3,2]diazaborolidines: a straightforward route to five-membered rings containing the B-N or N-B-N moiety.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12678","12688","10.1039/c4dt01445f","","","0.71073","MoKα","","0.097","0.0756","","","0.182","0.1998","","","","","","1.05","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031466","9.3914","0.0001","12.4123","0.0002","19.9936","0.0002","83.09","0.001","86.011","0.001","79.641","0.001","2273.25","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Ag2 N10 O10 -","- C26 H18 Ag2 N10 O10 -","- C78 H54 Ag6 N30 O30 -","3","1.5","","Ahern, John C.; Shilabin, Abbas; Henline, Kylie M.; Pike, Robert D.; Patterson, Howard H.","Photophysical properties of {[Ag(CN)2](-)}2 complexes trapped in a supramolecular electron-acceptor organic framework.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12044","12049","10.1039/c4dt01110d","","","1.54178","CuKα","","0.0405","0.04","","","0.1022","0.1027","","","","","","1.104","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7031467","10.269","0.0002","13.045","0.0003","18.187","0.0004","83.058","0.001","85.054","0.001","69.32","0.001","2260.14","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H114 N2 O8 Zr2 -","- C80 H114 N2 O8 Zr2 -","- C80 H114 N2 O8 Zr2 -","1","0.5","","Forder, Thomas R.; Mahon, Mary F.; Davidson, Matthew G.; Woodman, Timothy; Jones, Matthew D.","Synthesis and characterisation of unsymmetrical Zr(iv) amine tris(phenolate) complexes and their application in ROP of rac-LA.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12095","12099","10.1039/c4dt01260g","","","0.71073","MoKα","","0.0666","0.0501","","","0.1384","0.146","","","","","","1.093","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031468","29.365","0.0006","29.365","0.0006","23.302","0.0006","90","","90","","120","","17401.4","0.7","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C82 H106 N2 O8 Zr2 -","- C82 H106 N2 O8 Zr2 -","- C738 H954 N18 O72 Zr18 -","9","0.5","","Forder, Thomas R.; Mahon, Mary F.; Davidson, Matthew G.; Woodman, Timothy; Jones, Matthew D.","Synthesis and characterisation of unsymmetrical Zr(iv) amine tris(phenolate) complexes and their application in ROP of rac-LA.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12095","12099","10.1039/c4dt01260g","","","0.71073","MoKα","","0.0938","0.0572","","","0.1503","0.1859","","","","","","1.124","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031469","9.5804","0.0004","9.7438","0.0004","13.7155","0.0005","97.264","0.003","92.617","0.003","115.428","0.004","1139.86","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 La N8 O11 -","- C17 H17 La N8 O11 -","- C34 H34 La2 N16 O22 -","2","1","","Bhattacharyya, Arunasis; Gadly, Trilochan; Pathak, Priyanath; Ghosh, Sunil K.; Mohapatra, Manoj; Ghanty, Tapan K.; Mohapatra, Prasanta K.","Complexation of trivalent americium and lanthanides with terdentate 'N' donor ligands: the role of rigidity in the ligand structure.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12422","12429","10.1039/c4dt01342e","","","1.5418","CuKα","","0.0228","0.0226","","","0.0613","0.0614","","","","","","1.053","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7031470","14.0018","0.0008","17.2407","0.001","14.6467","0.0013","90","","110.894","0.0015","90","","3303.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Fe I2 -","- C10 H8 Fe I2 -","- C120 H96 Fe12 I24 -","12","1.5","","Roemer, Max; Nijhuis, Christian A.","Syntheses and purification of the versatile synthons iodoferrocene and 1,1'-diiodoferrocene.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11815","11818","10.1039/c4dt01787k","","","0.71073","MoKα","","0.0228","0.022","","","0.054","0.0543","","","","","","1.221","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031471","6.2969","0.0003","9.7179","0.0004","15.1617","0.0007","90","","93.496","0.002","90","","926.06","0.07","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C10 H9 Fe I -","- C10 H9 Fe I -","- C40 H36 Fe4 I4 -","4","2","","Roemer, Max; Nijhuis, Christian A.","Syntheses and purification of the versatile synthons iodoferrocene and 1,1'-diiodoferrocene.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11815","11818","10.1039/c4dt01787k","","","0.71073","MoKα","","0.0141","0.0136","","","0.0285","0.0287","","","","","","1.066","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031472","34.96","0.004","5.9306","0.0007","9.5911","0.001","90","","90","","90","","1988.6","0.4","180","2","180","2","","","","","","","synthesis as described","3","P n a 21","P 2c -2n","33","","","","- C28 H19 N3 -","- C28 H19 N3 -","- C112 H76 N12 -","4","1","","Akl, Joëlle; Sasaki, Isabelle; Lacroix, Pascal G.; Malfant, Isabelle; Mallet-Ladeira, Sonia; Vicendo, Patricia; Farfán, Norberto; Santillan, Rosa","Comparative photo-release of nitric oxide from isomers of substituted terpyridinenitrosylruthenium(ii) complexes: experimental and computational investigations.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12721","12733","10.1039/c4dt00974f","","x-ray","0.71073","MoKα","","0.0689","0.0424","","","0.0802","0.0923","","","","","","1.024","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031473","10.334","0.0005","13.0961","0.0006","13.2279","0.0006","72.68","0.002","70.488","0.002","67.09","0.002","1525.02","0.13","180","2","180","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C29 H23 Cl2 F6 N4 O2 P Ru -","- C29 H23 Cl2 F6 N4 O2 P Ru -","- C58 H46 Cl4 F12 N8 O4 P2 Ru2 -","2","1","","Akl, Joëlle; Sasaki, Isabelle; Lacroix, Pascal G.; Malfant, Isabelle; Mallet-Ladeira, Sonia; Vicendo, Patricia; Farfán, Norberto; Santillan, Rosa","Comparative photo-release of nitric oxide from isomers of substituted terpyridinenitrosylruthenium(ii) complexes: experimental and computational investigations.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12721","12733","10.1039/c4dt00974f","","x-ray","0.71073","MoKα","","0.0809","0.0594","","","0.1613","0.178","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031474","9.2943","0.0002","20.5586","0.0005","13.8977","0.0003","90","","96.463","0.002","90","","2638.67","0.1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H45 Mg N2 Na Si4 -","- C16 H45 Mg N2 Na Si4 -","- C64 H180 Mg4 N8 Na4 Si16 -","4","1","","Francos, J.; Fleming, B. J.; García-Álvarez, P; Kennedy, A. R.; Reilly, K.; Robertson, G. M.; Robertson, S. D.; O'Hara, C T","Complexity in seemingly simple sodium magnesiate systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14424","14431","10.1039/c4dt00921e","","","0.71073","MoKα","","0.0671","0.0486","","","0.1126","0.1217","","","","","","1.087","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031475","11.8176","0.001","11.968","0.0011","18.4164","0.0016","94.913","0.007","99.478","0.007","103.922","0.008","2472.2","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H83 Mg N7 Na Si6 -","- C30 H83 Mg N7 Na Si6 -","- C60 H166 Mg2 N14 Na2 Si12 -","2","1","","Francos, J.; Fleming, B. J.; García-Álvarez, P; Kennedy, A. R.; Reilly, K.; Robertson, G. M.; Robertson, S. D.; O'Hara, C T","Complexity in seemingly simple sodium magnesiate systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14424","14431","10.1039/c4dt00921e","","","0.71069","MoKα","","0.0927","0.0467","","","0.0944","0.1015","","","","","","0.864","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031476","39.1203","0.0011","8.7705","0.0003","25.6241","0.0007","90","","90","","90","","8791.7","0.5","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H77 Mg N6 Na Si4 -","- C28 H77 Mg N6 Na Si4 -","- C224 H616 Mg8 N48 Na8 Si32 -","8","2","","Francos, J.; Fleming, B. J.; García-Álvarez, P; Kennedy, A. R.; Reilly, K.; Robertson, G. M.; Robertson, S. D.; O'Hara, C T","Complexity in seemingly simple sodium magnesiate systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14424","14431","10.1039/c4dt00921e","","","0.71073","MoKα","","0.0838","0.0652","","","0.1235","0.1322","","","","","","1.076","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031477","9.2182","0.0002","22.7925","0.0006","19.7071","0.0005","90","","93.215","0.002","90","","4134.06","0.18","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H70 Mg N4 Na2 Si4 -","- C26 H70 Mg N4 Na2 Si4 -","- C104 H280 Mg4 N16 Na8 Si16 -","4","1","","Francos, J.; Fleming, B. J.; García-Álvarez, P; Kennedy, A. R.; Reilly, K.; Robertson, G. M.; Robertson, S. D.; O'Hara, C T","Complexity in seemingly simple sodium magnesiate systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14424","14431","10.1039/c4dt00921e","","","0.71073","MoKα","","0.0919","0.0501","","","0.1064","0.1223","","","","","","1.016","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031478","23.5623","0.0005","23.5623","0.0005","15.9256","0.0005","90","","90","","90","","8841.6","0.4","123","2","123","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C30 H76 Mg N4 Na2 Si4 -","- C30 H76 Mg N4 Na2 Si4 -","- C240 H608 Mg8 N32 Na16 Si32 -","8","1","","Francos, J.; Fleming, B. J.; García-Álvarez, P; Kennedy, A. R.; Reilly, K.; Robertson, G. M.; Robertson, S. D.; O'Hara, C T","Complexity in seemingly simple sodium magnesiate systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14424","14431","10.1039/c4dt00921e","","","0.71073","MoKα","","0.0987","0.0598","","","0.1073","0.1222","","","","","","1.033","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031479","10.1215","0.0013","13.6526","0.0017","14.0503","0.0018","88.059","0.002","86.639","0.002","78.294","0.002","1897.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Co N4 O6 -","- C42.003 H38 Co N4 O6 -","- C84.006 H76 Co2 N8 O12 -","2","1","","Qin, Ling; Wang, Zhong-Jie; Wang, Ting; Zheng, He-Gen; Chen, Jin-Xi","Coligand-directed synthesis of five Co(ii)/Ni(ii) coordination polymers with a neutral tetradentate ligand: syntheses, crystal structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12528","12535","10.1039/c4dt01535e","","","0.71073","MoKα","","0.0971","0.0697","","","0.1733","0.1832","","","","","","1.097","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7031480","24.8128","0.0014","24.8128","0.0014","44.811","0.005","90","","90","","90","","27589","4","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C78 H55 Co2 N9 O8 -","- C78 H55 Co2 N9 O8 -","- C1248 H880 Co32 N144 O128 -","16","0.5","","Qin, Ling; Wang, Zhong-Jie; Wang, Ting; Zheng, He-Gen; Chen, Jin-Xi","Coligand-directed synthesis of five Co(ii)/Ni(ii) coordination polymers with a neutral tetradentate ligand: syntheses, crystal structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12528","12535","10.1039/c4dt01535e","","","0.71073","MoKα","","0.0681","0.0512","","","0.1463","0.1569","","","","","","1.059","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7031481","10.7106","0.0019","12.991","0.002","13.191","0.002","86.517","0.002","87.155","0.002","78.985","0.002","1796.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H74 N8 Ni2 O15 -","- C80 H74 N8 Ni2 O15 -","- C80 H74 N8 Ni2 O15 -","1","0.5","","Qin, Ling; Wang, Zhong-Jie; Wang, Ting; Zheng, He-Gen; Chen, Jin-Xi","Coligand-directed synthesis of five Co(ii)/Ni(ii) coordination polymers with a neutral tetradentate ligand: syntheses, crystal structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12528","12535","10.1039/c4dt01535e","","","0.71073","MoKα","","0.0566","0.0457","","","0.1394","0.1652","","","","","","1.011","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7031482","14.0905","0.0015","14.6762","0.0017","21.5858","0.0014","89.937","0.002","85.402","0.003","61.994","0.002","3925","0.7","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C154 H105 N11 Ni6 O40 S6 -","- C154 H105 N11 Ni6 O40 S6 -","- C154 H105 N11 Ni6 O40 S6 -","1","0.5","","Qin, Ling; Wang, Zhong-Jie; Wang, Ting; Zheng, He-Gen; Chen, Jin-Xi","Coligand-directed synthesis of five Co(ii)/Ni(ii) coordination polymers with a neutral tetradentate ligand: syntheses, crystal structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12528","12535","10.1039/c4dt01535e","","","0.71073","MoKα","","0.1037","0.053","","","0.1019","0.1203","","","","","","1.017","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7031483","14.2269","0.0018","14.7692","0.0011","21.6912","0.0019","90.391","0.002","94.357","0.003","118.233","0.002","3999.2","0.7","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H48 Co3 N4 O20 S3 -","- C74 H48 Co3 N4 O20 S3 -","- C148 H96 Co6 N8 O40 S6 -","2","1","","Qin, Ling; Wang, Zhong-Jie; Wang, Ting; Zheng, He-Gen; Chen, Jin-Xi","Coligand-directed synthesis of five Co(ii)/Ni(ii) coordination polymers with a neutral tetradentate ligand: syntheses, crystal structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12528","12535","10.1039/c4dt01535e","","","0.71073","MoKα","","0.0893","0.0547","","","0.1315","0.144","","","","","","1.019","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7031484","14.9309","0.0019","9.0628","0.001","27.435","0.006","90","","94.605","0.014","90","","3700.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N4 O5 -","- C34 H32 N4 O5 -","- C136 H128 N16 O20 -","4","1","","Fu, Yan; Jiang, Xiu-Juan; Zhu, Yan-Yan; Zhou, Bing-Jiang; Zang, Shuang-Quan; Tang, Ming-Sheng; Zhang, Hong-Yan; Mak, Thomas C. W.","A new fluorescent probe for Al(3+) based on rhodamine 6G and its application to bioimaging.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12624","12632","10.1039/c4dt01453g","","","0.71073","MoKα","","0.2091","0.0916","","","0.2024","0.2346","","","","","","1.001","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031485","23.791","0.003","18.3258","0.0018","15.0315","0.0014","90","","102.654","0.011","90","","6394.4","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C68 H66 Al Cl N8 O12 -","- C68 H66 Al Cl N8 O12 -","- C272 H264 Al4 Cl4 N32 O48 -","4","1","","Fu, Yan; Jiang, Xiu-Juan; Zhu, Yan-Yan; Zhou, Bing-Jiang; Zang, Shuang-Quan; Tang, Ming-Sheng; Zhang, Hong-Yan; Mak, Thomas C. W.","A new fluorescent probe for Al(3+) based on rhodamine 6G and its application to bioimaging.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12624","12632","10.1039/c4dt01453g","","","0.71073","MoKα","","0.2029","0.0907","","","0.166","0.225","","","","","","1.016","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031486","9.6254","0.0006","17.1742","0.0012","22.7259","0.0019","102.047","0.007","98.682","0.006","106.138","0.006","3440.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H71 Cd N9 O12 -","- C71 H71 Cd N9 O12 -","- C142 H142 Cd2 N18 O24 -","2","1","","Fu, Yan; Jiang, Xiu-Juan; Zhu, Yan-Yan; Zhou, Bing-Jiang; Zang, Shuang-Quan; Tang, Ming-Sheng; Zhang, Hong-Yan; Mak, Thomas C. W.","A new fluorescent probe for Al(3+) based on rhodamine 6G and its application to bioimaging.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12624","12632","10.1039/c4dt01453g","","","0.71073","MoKα","","0.1607","0.0648","","","0.0863","0.1102","","","","","","0.801","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031487","7.7369","0.0003","9.893","0.0003","21.9325","0.001","90","","101.955","0.004","90","","1642.33","0.11","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ-Chloro)-bis(N-benzyl-N'-((2-pyridin-2-yl)methyl)oxalamidato-N,N'',O)- di-copper(II)","","- C30 H28 Cl2 Cu2 N6 O4 -","- C30 H28 Cl2 Cu2 N6 O4 -","- C60 H56 Cl4 Cu4 N12 O8 -","2","0.5","","Zilić, Dijana; Rakvin, Boris; Milić, Dalibor; Pajić, Damir; Dilović, Ivica; Cametti, Massimo; Džolić, Zoran","Crystal structures and magnetic properties of a set of dihalo-bridged oxalamidato copper(ii) dimers.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11877","11887","10.1039/c4dt00925h","","","0.7107","MoKα","","0.0511","0.0366","","","0.0822","0.0891","","","","","","1.04","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031488","8.4814","0.0003","9.3314","0.0004","11.7613","0.0003","81.072","0.003","78.321","0.003","76.097","0.004","879.28","0.06","150","1","150","1","","","","","","","","6","P 1","P 1","1","","bis(μ-Bromo)-bis(N-(L-leucine)-N'-(pyridin-2-ylmethyl)oxalamidato-N,N'',O)- di-copper(II)","","- C30 H40 Br2 Cu2 N6 O8 -","- C30 H40 Br2 Cu2 N6 O8 -","- C30 H40 Br2 Cu2 N6 O8 -","1","1","","Zilić, Dijana; Rakvin, Boris; Milić, Dalibor; Pajić, Damir; Dilović, Ivica; Cametti, Massimo; Džolić, Zoran","Crystal structures and magnetic properties of a set of dihalo-bridged oxalamidato copper(ii) dimers.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11877","11887","10.1039/c4dt00925h","","","0.71073","MoKα","","0.0211","0.0196","","","0.0502","0.0508","","","","","","1.039","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031489","8.0988","0.0006","9.6585","0.0006","10.1449","0.0006","93.172","0.005","90.749","0.005","94.721","0.005","789.53","0.09","120","","120","","","","","","","","","6","P -1","-P 1","2","","bis(μ-Bromo)-bis(N-benzyl-N'-((2-pyridin-2-yl)methyl)oxalamidato-N,N'',O)- di-copper(II)","","- C30 H28 Br2 Cu2 N6 O4 -","- C30 H28 Br2 Cu2 N6 O4 -","- C30 H28 Br2 Cu2 N6 O4 -","1","0.5","","Zilić, Dijana; Rakvin, Boris; Milić, Dalibor; Pajić, Damir; Dilović, Ivica; Cametti, Massimo; Džolić, Zoran","Crystal structures and magnetic properties of a set of dihalo-bridged oxalamidato copper(ii) dimers.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11877","11887","10.1039/c4dt00925h","","","0.71073","MoKα","","0.0802","0.0465","","","0.0793","0.0902","","","","","","0.991","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031490","22.255","0.002","17.369","0.002","12.876","0.0013","90","","112.095","0.007","90","","4611.7","0.9","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C93.5 H119 Cl3 Cu4 N4 O8 -","- C93.5 H119 Cl3 Cu4 N4 O8 -","- C187 H238 Cl6 Cu8 N8 O16 -","2","0.5","","Zhang, Guoqi; Proni, Gloria; Zhao, Sherry; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Chiral tetranuclear and dinuclear copper(ii) complexes for TEMPO-mediated aerobic oxidation of alcohols: are four metal centres better than two?","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12313","12320","10.1039/c4dt01224k","","","0.71073","MoKα","","0.0399","0.0396","","","0.1058","0.1062","","","","","","1.089","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031491","18.391","0.0014","22.507","0.0017","13.802","0.001","90","","90","","90","","5713","0.7","123","","123","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C58.7 H67.4 Cl1.4 Cu2 N2 O4 -","- C58.7 H67.4 Cl1.4 Cu2 N2 O4 -","- C234.8 H269.6 Cl5.6 Cu8 N8 O16 -","4","1","","Zhang, Guoqi; Proni, Gloria; Zhao, Sherry; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Chiral tetranuclear and dinuclear copper(ii) complexes for TEMPO-mediated aerobic oxidation of alcohols: are four metal centres better than two?","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12313","12320","10.1039/c4dt01224k","","","0.71073","MoKα","","0.0483","0.0403","","0.0465","0.0436","0.0425","","","","","","1.0844","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031492","12.082","0.002","12.898","0.003","14.669","0.003","86.615","0.002","71.761","0.002","63.699","0.008","1937.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H39 Br2 Cl2 N7 Pd -","- C38 H39 Br2 Cl2 N7 Pd -","- C76 H78 Br4 Cl4 N14 Pd2 -","2","1","","Glinyanaya, Nataliya V.; Saberov, Vagiz Sh; Korotkikh, Nikolai I.; Cowley, Alan H.; Butorac, Rachel R.; Evans, Daniel A.; Pekhtereva, Tatyana M.; Popov, Anatolii F.; Shvaika, Oles P.","Syntheses of sterically shielded stable carbenes of the 1,2,4-triazole series and their corresponding palladium complexes: efficient catalysts for chloroarene hydrodechlorination.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16227","16237","10.1039/c4dt01353k","","","0.71069","MoKα","","0.0584","0.052","","","0.0948","0.0978","","","","","","1.176","","","","has coordinates,has disorder","180020","2020-10-21","18:00:00",""
"7031493","19.283","0.003","12.104","0.002","18.228","0.003","90","","116.657","0.002","90","","3802.2","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Br2 I2 N6 Pd -","- C36 H36 Br2 I2 N6 Pd -","- C144 H144 Br8 I8 N24 Pd4 -","4","1","","Glinyanaya, Nataliya V.; Saberov, Vagiz Sh; Korotkikh, Nikolai I.; Cowley, Alan H.; Butorac, Rachel R.; Evans, Daniel A.; Pekhtereva, Tatyana M.; Popov, Anatolii F.; Shvaika, Oles P.","Syntheses of sterically shielded stable carbenes of the 1,2,4-triazole series and their corresponding palladium complexes: efficient catalysts for chloroarene hydrodechlorination.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16227","16237","10.1039/c4dt01353k","","","0.71069","MoKα","","0.0548","0.0542","","","0.1107","0.111","","","","","","1.331","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031494","13.988","0.005","10.458","0.004","15.065","0.005","90","","90.96","0.005","90","","2203.5","1.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 N3 -","- C24 H31 N3 -","- C96 H124 N12 -","4","1","","Glinyanaya, Nataliya V.; Saberov, Vagiz Sh; Korotkikh, Nikolai I.; Cowley, Alan H.; Butorac, Rachel R.; Evans, Daniel A.; Pekhtereva, Tatyana M.; Popov, Anatolii F.; Shvaika, Oles P.","Syntheses of sterically shielded stable carbenes of the 1,2,4-triazole series and their corresponding palladium complexes: efficient catalysts for chloroarene hydrodechlorination.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16227","16237","10.1039/c4dt01353k","","","0.71069","MoKα","","0.0587","0.0494","","","0.1326","0.1407","","","","","","1.075","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031495","15.164","0.003","11.158","0.0017","35.432","0.005","90","","99.668","0.006","90","","5909.9","1.7","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C28 H37 Cl2 N5 Pd -","- C28 H37 Cl2 N5 Pd -","- C224 H296 Cl16 N40 Pd8 -","8","1","","Glinyanaya, Nataliya V.; Saberov, Vagiz Sh; Korotkikh, Nikolai I.; Cowley, Alan H.; Butorac, Rachel R.; Evans, Daniel A.; Pekhtereva, Tatyana M.; Popov, Anatolii F.; Shvaika, Oles P.","Syntheses of sterically shielded stable carbenes of the 1,2,4-triazole series and their corresponding palladium complexes: efficient catalysts for chloroarene hydrodechlorination.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16227","16237","10.1039/c4dt01353k","","","0.71069","MoKα","","0.0376","0.0319","","","0.1016","0.1423","","","","","","1.19","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031496","17.9529","0.0005","18.415","0.0004","20.5742","0.0006","90","","107.485","0.003","90","","6487.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","copper complex with Et-Tol-DAPhen","","","- C64 H60 Cu N9 O7 -","- C64 H60 Cu N9 O7 -","- C256 H240 Cu4 N36 O28 -","4","1","","Xiao, Cheng-Liang; Wu, Qun-Yan; Mei, Lei; Yuan, Li-Yong; Wang, Cong-Zhi; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun","High selectivity towards small copper ions by a preorganized phenanthroline-derived tetradentate ligand and new insight into the complexation mechanism.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12470","12473","10.1039/c4dt01489h","","","1.54184","CuKα","","0.0903","0.0649","","","0.2213","0.244","","","","","","0.925","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031497","8.1289","0.0003","11.6833","0.0005","13.8021","0.0006","105.115","0.002","105.785","0.002","99.199","0.001","1179.57","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H27 Br N7 O3 Re -","- C22 H27 Br N7 O3 Re -","- C44 H54 Br2 N14 O6 Re2 -","2","1","","Pal, Amlan K.; Hanan, Garry S.","Structural, electrochemical and photophysical investigations of Re(i)-complexes of κ(3)N-tridentate heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11811","11814","10.1039/c4dt01454e","","","1.54178","CuKα","","0.0271","0.0271","","","0.0709","0.0709","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031498","8.2315","0.0006","11.7681","0.0006","13.3936","0.0008","104.882","0.003","105.407","0.003","99.732","0.003","1168.99","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 Br N8 O3 Re -","- C21 H26 Br N8 O3 Re -","- C42 H52 Br2 N16 O6 Re2 -","2","1","","Pal, Amlan K.; Hanan, Garry S.","Structural, electrochemical and photophysical investigations of Re(i)-complexes of κ(3)N-tridentate heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11811","11814","10.1039/c4dt01454e","","","1.54178","CuKα","","0.0337","0.0337","","","0.0907","0.0907","","","","","","1.082","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7031499","10.357","0.002","10.675","0.002","11.716","0.002","87.65","0.03","86.18","0.03","62.59","0.03","1147.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H58 Cl10 Gd4 O16 -","- C14 H58 Cl10 Gd4 O16 -","- C14 H58 Cl10 Gd4 O16 -","1","0.5","","Pajerowski, Daniel M.; Li, Quan; Hyun, Jason; Dennis, Cindi L.; Phelan, Daniel; Yan, Pengfei; Chen, Peng; Li, Guangming","Chloride-bridged, defect-dicubane {Ln4} core clusters: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11973","11980","10.1039/c4dt01329h","","","0.71073","MoKα","","0.0394","0.0332","","","0.0834","0.0861","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031500","10.328","0.002","10.653","0.002","11.639","0.002","87.55","0.03","86.14","0.03","62.66","0.03","1134.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H58 Cl10 Dy4 O16 -","- C14 H58 Cl10 Dy4 O16 -","- C14 H58 Cl10 Dy4 O16 -","1","0.5","","Pajerowski, Daniel M.; Li, Quan; Hyun, Jason; Dennis, Cindi L.; Phelan, Daniel; Yan, Pengfei; Chen, Peng; Li, Guangming","Chloride-bridged, defect-dicubane {Ln4} core clusters: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11973","11980","10.1039/c4dt01329h","","","0.71073","MoKα","","0.0468","0.0423","","","0.107","0.1098","","","","","","1.05","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031501","10.283","0.002","10.613","0.002","11.585","0.002","87.48","0.03","86.09","0.03","62.75","0.03","1121.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H58 Cl10 Er4 O16 -","- C14 H58 Cl10 Er4 O16 -","- C14 H58 Cl10 Er4 O16 -","1","0.5","","Pajerowski, Daniel M.; Li, Quan; Hyun, Jason; Dennis, Cindi L.; Phelan, Daniel; Yan, Pengfei; Chen, Peng; Li, Guangming","Chloride-bridged, defect-dicubane {Ln4} core clusters: syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11973","11980","10.1039/c4dt01329h","","","0.71073","MoKα","","0.0348","0.0303","","","0.0726","0.0751","","","","","","1.066","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031502","14.561","0.005","5.1031","0.0014","14.153","0.005","90","","114.57","0.04","90","","956.4","0.6","296","2","296","2","","","","","","","synthesized","5","C 1 2 1","C 2y","5","","","","- C10 H10 Li N O3 -","- C10 H10 Li N O3 -","- C40 H40 Li4 N4 O12 -","4","1","","Rajesh, Chinnaiyan Mahalingam; Ray, Manabendra","Characterization of a meso-chiral isomer of a hexanuclear Cu(ii) cage from racemization of the l-alanine Schiff base.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12952","","10.1039/c4dt01443j","","","0.71073","MoKα","","0.191","0.0906","","","0.1109","0.1534","","","","","","0.989","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031503","16.4342","0.0009","16.4342","0.0009","22.5159","0.0015","90","","90","","120","","5266.4","0.5","296","2","296","2","","","","","","","synthesized","5","R -3 :H","-R 3","148","","","","- C60 H77 Cu6 N7 O29 -","- C60 H56 Cu6 N7 O29 -","- C180 H168 Cu18 N21 O87 -","3","0.166667","","Rajesh, Chinnaiyan Mahalingam; Ray, Manabendra","Characterization of a meso-chiral isomer of a hexanuclear Cu(ii) cage from racemization of the l-alanine Schiff base.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12952","","10.1039/c4dt01443j","","","0.71073","MoKα","","0.0844","0.0522","","","0.1393","0.1604","","","","","","1.054","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031504","16.3913","0.0007","16.3913","0.0007","23.2922","0.0012","90","","90","","120","","5419.6","0.4","296","2","296","2","","","","","","","synthesized","5","R -3 :H","-R 3","148","","","","- C30 H38 Cu3 N3 O15 -","- C30 H28 Cu3 N3 O15 -","- C180 H168 Cu18 N18 O90 -","6","0.333333","","Rajesh, Chinnaiyan Mahalingam; Ray, Manabendra","Characterization of a meso-chiral isomer of a hexanuclear Cu(ii) cage from racemization of the l-alanine Schiff base.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12952","","10.1039/c4dt01443j","","","0.71073","MoKα","","0.0867","0.0564","","","0.148","0.1664","","","","","","1.016","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031505","32.6565","0.0013","12.9533","0.0004","16.2958","0.0005","90","","105.974","0.003","90","","6627.1","0.4","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H96 N4 O2 P4 -","- C68 H96 N4 O2 P4 -","- C272 H384 N16 O8 P16 -","4","0.5","","Naumov, Roman N.; Musina, Elvira I.; Kanunnikov, Kirill B.; Fesenko, Tatiana I.; Krivolapov, Dmitry B.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Alternating stereoselective self-assembly of SSSS/RRRR or RSSR isomers of tetrakisphosphines in the row of 14-, 16-, 18- and 20-membered macrocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12784","12789","10.1039/c4dt01619j","","","0.71073","MoKα","","0.1134","0.0532","","","0.1195","0.1394","","","","","","0.933","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031506","8.978","0.007","11.999","0.009","15.378","0.011","77.012","0.008","86.156","0.009","70.547","0.008","1522","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(RSSR)-1,11-dibenzyl-3,9,13,19-tetramesityl-1,11-diaza-3,9,13,19-tetraphosphacycloeicosane","","- C64 H86 N2 P4 -","- C64 H86 N2 P4 -","- C64 H86 N2 P4 -","1","0.5","","Naumov, Roman N.; Musina, Elvira I.; Kanunnikov, Kirill B.; Fesenko, Tatiana I.; Krivolapov, Dmitry B.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G.","Alternating stereoselective self-assembly of SSSS/RRRR or RSSR isomers of tetrakisphosphines in the row of 14-, 16-, 18- and 20-membered macrocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12784","12789","10.1039/c4dt01619j","","x-ray","0.71073","MoKα","","0.137","0.0778","","","0.2112","0.2573","","","","","","1.009","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031507","11.6024","0.0004","20.5977","0.0006","14.1642","0.0004","90","","113.029","0.002","90","","3115.24","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H55 N O5 P2 Ru -","- C26 H55 N O5 P2 Ru -","- C104 H220 N4 O20 P8 Ru4 -","4","1","","Choi, Jong-Hoo; Heim, Leo E.; Ahrens, Mike; Prechtl, Martin H. G.","Selective conversion of alcohols in water to carboxylic acids by in situ generated ruthenium trans dihydrido carbonyl PNP complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17248","17254","10.1039/c4dt01634c","","","0.71073","MoKα","","0.0376","0.0308","","","0.078","0.0823","","","","","","1.027","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031508","14.183","0.004","8.83","0.003","13.514","0.004","90","","95.22","0.013","90","","1685.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(tBuP(O)N)PtMe2","(tBuP(O)N)PtMe2","","- C15 H28 N O P Pt -","- C15 H28 N O P Pt -","- C60 H112 N4 O4 P4 Pt4 -","4","1","","Scheuermann, Margaret L.; Grice, Kyle A.; Ruppel, Matthew J.; Roselló-Merino, Marta; Kaminsky, Werner; Goldberg, Karen I.","Hemilability of P(X)N-type ligands (X = O, N-H): rollover cyclometalation and benzene C-H activation from (P(X)N)PtMe2 complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12018","12025","10.1039/c4dt01143k","","","0.71073","MoKα","","0.1469","0.1115","","","0.2314","0.2456","","","","","","1.191","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031509","8.6571","0.0012","13.566","0.002","18.381","0.003","90","","98.684","0.008","90","","2134","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(tBuP(O)C)PtMe(CNtBu)","(tBuP(O)C)PtMe(CNtBu)","","- C19 H33 N2 O P Pt -","- C19 H33 N2 O P Pt -","- C76 H132 N8 O4 P4 Pt4 -","4","1","","Scheuermann, Margaret L.; Grice, Kyle A.; Ruppel, Matthew J.; Roselló-Merino, Marta; Kaminsky, Werner; Goldberg, Karen I.","Hemilability of P(X)N-type ligands (X = O, N-H): rollover cyclometalation and benzene C-H activation from (P(X)N)PtMe2 complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12018","12025","10.1039/c4dt01143k","","","0.71073","MoKα","","0.0553","0.036","","","0.0869","0.0957","","","","","","1.093","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031510","14.4311","0.0004","8.6437","0.0002","13.5536","0.0003","90","","95.83","0.001","90","","1681.91","0.07","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(tBuP(N-H)N)PtMe2","(tBuP(N-H)N)PtMe2","","- C15 H29 N2 P Pt -","- C15 H29 N2 P Pt -","- C60 H116 N8 P4 Pt4 -","4","1","","Scheuermann, Margaret L.; Grice, Kyle A.; Ruppel, Matthew J.; Roselló-Merino, Marta; Kaminsky, Werner; Goldberg, Karen I.","Hemilability of P(X)N-type ligands (X = O, N-H): rollover cyclometalation and benzene C-H activation from (P(X)N)PtMe2 complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12018","12025","10.1039/c4dt01143k","","","0.71073","MoKα","","0.0537","0.0384","","","0.0788","0.0836","","","","","","0.998","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031511","30.661","0.016","9.818","0.012","17.841","0.008","90","","122.137","0.013","90","","4548","6","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(tBuP(N)N)PtMe(pyr)","(tBuP(N)N)PtMe(pyr)","","- C39 H66 Cl2 N6 O2 P2 Pt2 -","- C38.999 H66 Cl2.002 N6 O2 P2 Pt2 -","- C155.996 H264 Cl8.008 N24 O8 P8 Pt8 -","4","0.5","","Scheuermann, Margaret L.; Grice, Kyle A.; Ruppel, Matthew J.; Roselló-Merino, Marta; Kaminsky, Werner; Goldberg, Karen I.","Hemilability of P(X)N-type ligands (X = O, N-H): rollover cyclometalation and benzene C-H activation from (P(X)N)PtMe2 complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","12018","12025","10.1039/c4dt01143k","","","0.71073","MoKα","","0.0743","0.0473","","","0.087","0.0942","","","","","","1.037","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031512","18.2341","0.0006","8.9441","0.0005","11.924","0.0006","90","","95.965","0.002","90","","1934.13","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl N3 Pt -","- C20 H26 Cl N3 Pt -","- C80 H104 Cl4 N12 Pt4 -","4","1","","Batema, Guido D.; Lutz, Martin; Spek, Anthony L.; van Walree, Cornelis A.; van Klink, Gerard P. M.; van Koten, Gerard","Organometallic benzylidene anilines: donor-acceptor features in NCN-pincer Pt(ii) complexes with a 4-(E)-[(4-R-phenyl)imino]methyl substituent.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12200","12209","10.1039/c4dt01023j","","","0.71073","MoKα","","0.0148","0.0112","","","0.0229","0.0239","","","","","","1.072","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031513","18.176","0.0004","8.9325","0.0003","11.8834","0.0003","90","","94.713","0.003","90","","1922.83","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl2 N3 Pt -","- C19 H23 Cl2 N3 Pt -","- C76 H92 Cl8 N12 Pt4 -","4","1","","Batema, Guido D.; Lutz, Martin; Spek, Anthony L.; van Walree, Cornelis A.; van Klink, Gerard P. M.; van Koten, Gerard","Organometallic benzylidene anilines: donor-acceptor features in NCN-pincer Pt(ii) complexes with a 4-(E)-[(4-R-phenyl)imino]methyl substituent.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12200","12209","10.1039/c4dt01023j","","","0.71073","MoKα","","0.0219","0.0156","","","0.0327","0.0343","","","","","","1.055","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031514","18.3716","0.0007","9.1309","0.0004","11.5847","0.0003","90","","94.535","0.001","90","","1937.24","0.12","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl N4 Pt -","- C20 H23 Cl N4 Pt -","- C80 H92 Cl4 N16 Pt4 -","4","1","","Batema, Guido D.; Lutz, Martin; Spek, Anthony L.; van Walree, Cornelis A.; van Klink, Gerard P. M.; van Koten, Gerard","Organometallic benzylidene anilines: donor-acceptor features in NCN-pincer Pt(ii) complexes with a 4-(E)-[(4-R-phenyl)imino]methyl substituent.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12200","12209","10.1039/c4dt01023j","","","0.71073","MoKα","","0.0326","0.0295","","","0.0671","0.0683","","","","","","1.151","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031515","10.202","0.002","7.0047","0.0016","12.921","0.004","90","","113.057","0.015","90","","849.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B O8 P Pb4 -","- B O8 P Pb4 -","- B4 O32 P4 Pb16 -","4","1","","Wang, Ying; Pan, Shilie; Huang, Shengshi; Dong, Lingyun; Zhang, Min; Han, Shujuan; Wang, Xian","Structural insights for the design of new borate-phosphates: synthesis, crystal structure and optical properties of Pb4O(BO3)(PO4) and Bi4O3(BO3)(PO4).","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12886","","10.1039/c4dt01199f","","","0.71073","MoKα","","0.0566","0.0508","","","0.1258","0.1288","","","","","","1.059","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031516","5.536","0.006","14.102","0.014","22.62","0.02","90","","90","","90","","1766","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B Bi4 O10 P -","- B Bi4 O10 P -","- B8 Bi32 O80 P8 -","8","1","","Wang, Ying; Pan, Shilie; Huang, Shengshi; Dong, Lingyun; Zhang, Min; Han, Shujuan; Wang, Xian","Structural insights for the design of new borate-phosphates: synthesis, crystal structure and optical properties of Pb4O(BO3)(PO4) and Bi4O3(BO3)(PO4).","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12886","","10.1039/c4dt01199f","","","0.71073","MoKα","","0.0539","0.0365","","","0.0806","0.0884","","","","","","1.011","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031517","19.1147","0.0018","19.1147","0.0018","41.28","0.004","90","","90","","90","","15083","2","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C40 H42 N6 O2 Zn2 -","- C40 H42 N6 O2 Zn2 -","- C640 H672 N96 O32 Zn32 -","16","1","","Kong, Wei-Li; Chai, Zuo-Yun; Wang, Zhong-Xia","Synthesis of N,N,O-chelate zinc and aluminum complexes and their catalysis in the ring-opening polymerization of ε-caprolactone and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14470","14480","10.1039/c4dt01364f","","","0.71073","MoKα","","0.2436","0.0666","","","0.1454","0.1764","","","","","","1.052","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031518","12.1185","0.0011","12.1185","0.0011","24.9106","0.0019","90","","90","","90","","3658.3","0.5","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","","","- C36 H50 N6 O2 Zn2 -","- C36 H50 N6 O2 Zn2 -","- C144 H200 N24 O8 Zn8 -","4","1","","Kong, Wei-Li; Chai, Zuo-Yun; Wang, Zhong-Xia","Synthesis of N,N,O-chelate zinc and aluminum complexes and their catalysis in the ring-opening polymerization of ε-caprolactone and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14470","14480","10.1039/c4dt01364f","","","0.71073","MoKα","","0.0404","0.0311","","","0.0634","0.0654","","","","","","1.041","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031519","8.434","0.004","9.173","0.006","16.179","0.008","100.536","0.011","91.872","0.008","117.275","0.007","1084","1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Al N3 O -","- C22 H26 Al N3 O -","- C44 H52 Al2 N6 O2 -","2","1","","Kong, Wei-Li; Chai, Zuo-Yun; Wang, Zhong-Xia","Synthesis of N,N,O-chelate zinc and aluminum complexes and their catalysis in the ring-opening polymerization of ε-caprolactone and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14470","14480","10.1039/c4dt01364f","","","0.71073","MoKα","","0.0926","0.0555","","","0.1242","0.1442","","","","","","1.066","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031520","8.9081","0.0006","8.9081","0.0006","26.125","0.002","90","","90","","120","","1795.4","0.2","298","2","298","2","","","","","","","","5","P 31","P 31","144","","","","- C26 H28 Al N3 O -","- C26 H28 Al N3 O -","- C78 H84 Al3 N9 O3 -","3","1","","Kong, Wei-Li; Chai, Zuo-Yun; Wang, Zhong-Xia","Synthesis of N,N,O-chelate zinc and aluminum complexes and their catalysis in the ring-opening polymerization of ε-caprolactone and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14470","14480","10.1039/c4dt01364f","","","0.71073","MoKα","","0.1798","0.0429","","","0.0489","0.0663","","","","","","0.711","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031521","10.7953","0.0019","14.724","0.003","12.701","0.002","90","","97.93","0.006","90","","1999.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 Cl8 N4 Pt -","- C32 H50 Cl8 N4 Pt -","- C64 H100 Cl16 N8 Pt2 -","2","0.5","","Winkel, Russell W.; Dubinina, Galyna G.; Abboud, Khalil A.; Schanze, Kirk S.","Photophysical properties of trans-platinum acetylide complexes featuring N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17712","17720","10.1039/c4dt01520g","","","0.71073","MoKα","","0.0158","0.0142","","","0.0402","0.0416","","","","","","1.044","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031522","8.2552","0.0007","27.997","0.002","16.4264","0.0014","90","","92.455","0.002","90","","3793","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 Cl4 N6 Pt S2 -","- C84 H91.294 Cl4 N6 Pt S2 -","- C168 H182.588 Cl8 N12 Pt2 S4 -","2","0.5","","Winkel, Russell W.; Dubinina, Galyna G.; Abboud, Khalil A.; Schanze, Kirk S.","Photophysical properties of trans-platinum acetylide complexes featuring N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17712","17720","10.1039/c4dt01520g","","","0.71073","MoKα","","0.0673","0.042","","","0.1037","0.1111","","","","","","1.036","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031523","9.0339","0.0004","20.7765","0.0009","15.467","0.0006","90","","101.326","0.002","90","","2846.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H70 Cl4 N4 Pt -","- C64 H70 Cl4 N4 Pt -","- C128 H140 Cl8 N8 Pt2 -","2","0.5","","Winkel, Russell W.; Dubinina, Galyna G.; Abboud, Khalil A.; Schanze, Kirk S.","Photophysical properties of trans-platinum acetylide complexes featuring N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17712","17720","10.1039/c4dt01520g","","","1.54178","CuKα","","0.0261","0.025","","","0.0629","0.0643","","","","","","1.085","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031524","9.9529","0.0002","13.1998","0.0002","15.8601","0.0003","105.207","0.001","93.171","0.001","93.064","0.001","2002.6","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H104 Cl4 N6 Pt -","- C94 H104 Cl4 N6 Pt -","- C94 H104 Cl4 N6 Pt -","1","0.5","","Winkel, Russell W.; Dubinina, Galyna G.; Abboud, Khalil A.; Schanze, Kirk S.","Photophysical properties of trans-platinum acetylide complexes featuring N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17712","17720","10.1039/c4dt01520g","","","0.71073","MoKα","","0.0256","0.0253","","","0.0633","0.0636","","","","","","1.04","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031525","7.8983","0.0002","33.9768","0.0008","8.7134","0.0002","90","","110.311","0.001","90","","2192.93","0.09","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 N3 -","- C26 H33 N3 -","- C104 H132 N12 -","4","1","","Loh, Claas; Seupel, Susanne; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Strong intramolecular calcium-π interactions with aryl substituents - requirements and limitations.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14440","14449","10.1039/c4dt00949e","","","0.71073","MoKα","","0.0436","0.0399","","","0.1035","0.1069","","","","","","1.058","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031526","14.0088","0.0003","17.7217","0.0004","8.4023","0.0002","90","","102.899","0.001","90","","2033.31","0.08","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 N3 -","- C22 H31 N3 -","- C88 H124 N12 -","4","1","","Loh, Claas; Seupel, Susanne; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Strong intramolecular calcium-π interactions with aryl substituents - requirements and limitations.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14440","14449","10.1039/c4dt00949e","","","0.71073","MoKα","","0.0889","0.074","","","0.192","0.2023","","","","","","1.085","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031527","10.269","0.0001","24.2935","0.0003","11.7753","0.0002","90","","112.84","0.001","90","","2707.25","0.07","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 K N3 O2 -","- C26 H40 K N3 O2 -","- C104 H160 K4 N12 O8 -","4","1","","Loh, Claas; Seupel, Susanne; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Strong intramolecular calcium-π interactions with aryl substituents - requirements and limitations.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14440","14449","10.1039/c4dt00949e","","","0.71073","MoKα","","0.0538","0.0424","","","0.0955","0.1022","","","","","","1.054","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031528","10.6116","0.0003","12.0133","0.0002","20.2597","0.0004","79.156","0.001","77.228","0.001","66.909","0.001","2302.15","0.09","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H64 Ca N6 -","- C52 H64 Ca N6 -","- C104 H128 Ca2 N12 -","2","1","","Loh, Claas; Seupel, Susanne; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Strong intramolecular calcium-π interactions with aryl substituents - requirements and limitations.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14440","14449","10.1039/c4dt00949e","","","0.71073","MoKα","","0.0699","0.0553","","","0.1072","0.1168","","","","","","1.094","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031529","9.4797","0.0004","13.3686","0.0004","13.657","0.0005","99.978","0.002","105.794","0.002","109.907","0.002","1496.72","0.1","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H84 Ca N6 O3 -","- C56 H84 Ca N6 O3 -","- C56 H84 Ca N6 O3 -","1","0.5","","Loh, Claas; Seupel, Susanne; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias","Strong intramolecular calcium-π interactions with aryl substituents - requirements and limitations.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14440","14449","10.1039/c4dt00949e","","","0.71073","MoKα","","0.0944","0.084","","","0.2464","0.2605","","","","","","1.082","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031530","16.051","0.005","19.314","0.006","14.958","0.004","90","","90","","90","","4637","2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Fe(BPyA)SO4","","- C36 H63 Fe2 N6 O17.5 S2 -","- C36.02 H50 Fe2 N6 O17.52 S2 -","- C144.08 H200 Fe8 N24 O70.08 S8 -","4","0.5","","Parent, Alexander R.; Nakazono, Takashi; Lin, Shu; Utsunomiya, Satoshi; Sakai, Ken","Mechanism of water oxidation by non-heme iron catalysts when driven with sodium periodate.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12501","12513","10.1039/c4dt01188k","","","0.71073","MoKα","","0.0877","0.0723","","","0.1902","0.2034","","","","","","1.167","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031531","12.8773","0.001","24.3493","0.0019","13.5153","0.001","90","","102.513","0.001","90","","4137.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 Fe2 N8 O14 S3 -","- C37 H42 Fe2 N8 O14 S3 -","- C148 H168 Fe8 N32 O56 S12 -","4","1","","Parent, Alexander R.; Nakazono, Takashi; Lin, Shu; Utsunomiya, Satoshi; Sakai, Ken","Mechanism of water oxidation by non-heme iron catalysts when driven with sodium periodate.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12501","12513","10.1039/c4dt01188k","","","0.71073","MoKα","","0.0338","0.0278","","","0.0678","0.0708","","","","","","1.04","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031532","19.3777","0.0018","8.1701","0.0009","13.6078","0.0012","90","","116.645","0.003","90","","1925.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 F2 N2 O4 Pd2 -","- C18 H20 F2 N2 O4 Pd2 -","- C72 H80 F8 N8 O16 Pd8 -","4","0.5","","Font, Helena; Font-Bardia, Mercè; Gómez, Kerman; González, Gabriel; Granell, Jaume; Macho, Israel; Martínez, Manuel","A kinetico-mechanistic study on the C-H bond activation of primary benzylamines; cooperative and solid-state cyclopalladation on dimeric complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13525","13536","10.1039/c4dt01463d","","","0.71073","MoKα","","0.062","0.0336","","","0.0561","0.0624","","","","","","1.069","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031533","9.8749","0.001","11.7989","0.0011","19.907","0.002","90","","90","","90","","2319.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 F6 N2 O4 Pd2 -","- C20 H20 F6 N2 O4 Pd2 -","- C80 H80 F24 N8 O16 Pd8 -","4","1","","Font, Helena; Font-Bardia, Mercè; Gómez, Kerman; González, Gabriel; Granell, Jaume; Macho, Israel; Martínez, Manuel","A kinetico-mechanistic study on the C-H bond activation of primary benzylamines; cooperative and solid-state cyclopalladation on dimeric complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13525","13536","10.1039/c4dt01463d","","","0.71073","MoKα","","0.0511","0.0354","","","0.0549","0.0588","","","","","","1.071","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031534","40.3177","0.0011","40.3177","0.0011","11.1035","0.0006","90","","90","","120","","15630.8","1","185","2","185","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C33 H48 Cl0 N3 O4 V -","- C33 H48 N3 O4 V -","- C594 H864 N54 O72 V18 -","18","1","","Wang, Jia-Bao; Lu, Ling-Pan; Liu, Jing-Yu; Li, Yue-Sheng","[ONN]-type amine pyridine(s) phenolate-based oxovanadium(v) catalysts for ethylene homo- and copolymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12926","","10.1039/c4dt01166j","","","0.71073","MoKα","","0.0837","0.0607","","","0.135","0.1479","","","","","","1.052","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031535","14.0405","0.0007","16.1686","0.0008","25.3609","0.0012","90","","106.07","0.001","90","","5532.3","0.5","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 N2 O5 V -","- C28 H37 N2 O5 V -","- C224 H296 N16 O40 V8 -","8","2","","Wang, Jia-Bao; Lu, Ling-Pan; Liu, Jing-Yu; Li, Yue-Sheng","[ONN]-type amine pyridine(s) phenolate-based oxovanadium(v) catalysts for ethylene homo- and copolymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12926","","10.1039/c4dt01166j","","","0.71073","MoKα","","0.1004","0.0627","","","0.1469","0.1695","","","","","","1.045","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031536","13.2554","0.0005","19.2889","0.0008","23.468","0.0009","110.703","0.001","102.623","0.001","91.396","0.001","5443.2","0.4","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H35 Cl2 N2 O5 V -","- C23 H35 Cl2 N2 O5 V -","- C184 H280 Cl16 N16 O40 V8 -","8","4","","Wang, Jia-Bao; Lu, Ling-Pan; Liu, Jing-Yu; Li, Yue-Sheng","[ONN]-type amine pyridine(s) phenolate-based oxovanadium(v) catalysts for ethylene homo- and copolymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12926","","10.1039/c4dt01166j","","","0.71073","MoKα","","0.1352","0.0827","","","0.186","0.2128","","","","","","1.036","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031537","10.59","0.002","10.871","0.001","14.426","0.004","68.868","0.017","82.287","0.018","74.817","0.008","1493.6","0.5","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C27 H22 Cl8 Fe2 O5 S8 -","- C24 H8 Cl8 Fe2 S8 -","- C24 H8 Cl8 Fe2 S8 -","1","0.5","","Bruña, Sonia; Cuadrado, Isabel; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Llusar, Rosa; Martín, Avelino; Menéndez, Nieves; Polo, Victor; Zamora, Félix","New insights into the chemistry of di- and trimetallic iron dithiolene derivatives. Structural, Mössbauer, magnetic, electrochemical and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13187","13195","10.1039/c4dt01462f","","x-ray","0.71073","MoKα","","0.136","0.0857","","","0.2192","0.2339","","","","","","0.923","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031538","8.735","0.006","15.412","0.008","19.541","0.009","90","","90","","90","","2631","3","200","2","200","2","","","","","","","synthesis as described","6","C 2 2 21","C 2c 2","20","","","","- C19 H4 Cl4 Fe3 O7 S4 -","- C19 H4 Cl4 Fe3 O7 S4 -","- C76 H16 Cl16 Fe12 O28 S16 -","4","0.5","","Bruña, Sonia; Cuadrado, Isabel; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Llusar, Rosa; Martín, Avelino; Menéndez, Nieves; Polo, Victor; Zamora, Félix","New insights into the chemistry of di- and trimetallic iron dithiolene derivatives. Structural, Mössbauer, magnetic, electrochemical and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13187","13195","10.1039/c4dt01462f","","x-ray","0.71073","MoKα","","0.0482","0.0307","","","0.0654","0.0704","","","","","","0.877","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031539","9.3343","0.0004","6.937","0.0002","10.574","0.0004","90","","92.156","0.004","90","","684.2","0.04","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H17 Co N O9 S -","- C7 H17 Co N O9 S -","- C14 H34 Co2 N2 O18 S2 -","2","1","","Mobin, Shaikh M.; Mohammad, Akbar","Retention of single crystals of two Co(ii) complexes during chemical reactions and rearrangement.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13032","","10.1039/c4dt01312c","","","0.71073","MoKα","","0.0279","0.026","","","0.069","0.0699","","","","","","1.109","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031540","7.7747","0.0006","8.2003","0.0005","8.8496","0.0008","96.823","0.006","113.416","0.008","109.189","0.006","468.29","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Co N4 O10 -","- C14 H22 Co N4 O10 -","- C14 H22 Co N4 O10 -","1","0.5","","Mobin, Shaikh M.; Mohammad, Akbar","Retention of single crystals of two Co(ii) complexes during chemical reactions and rearrangement.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13032","","10.1039/c4dt01312c","","","0.71073","MoKα","","0.0277","0.0233","","","0.0604","0.0618","","","","","","1.145","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031541","7.1858","0.0007","23.0471","0.0015","7.5389","0.0007","90","","117.044","0.013","90","","1112","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Co2 N2 O14 S2 -","- C14 H26 Co2 N2 O14 S2 -","- C28 H52 Co4 N4 O28 S4 -","2","0.5","","Mobin, Shaikh M.; Mohammad, Akbar","Retention of single crystals of two Co(ii) complexes during chemical reactions and rearrangement.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13032","","10.1039/c4dt01312c","","","0.71073","MoKα","","0.0778","0.0745","","","0.1707","0.1723","","","","","","1.257","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031542","12.6998","0.0012","8.8157","0.0009","33.412","0.003","90","","90","","90","","3740.7","0.6","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H18 Co N4 O8 -","- C14 H18 Co N4 O8 -","- C112 H144 Co8 N32 O64 -","8","1","","Mobin, Shaikh M.; Mohammad, Akbar","Retention of single crystals of two Co(ii) complexes during chemical reactions and rearrangement.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13032","","10.1039/c4dt01312c","","","1.5418","CuKα","","0.1917","0.0682","","","0.0945","0.1299","","","","","","0.951","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031543","10.0401","0.0008","7.2224","0.0006","24.274","0.002","90","","98.265","0.008","90","","1741.9","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co H12 O10 S -","- Co H12 O10 S -","- Co8 H96 O80 S8 -","8","1","","Mobin, Shaikh M.; Mohammad, Akbar","Retention of single crystals of two Co(ii) complexes during chemical reactions and rearrangement.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13032","","10.1039/c4dt01312c","","","1.5418","CuKα","","0.0488","0.0465","","","0.1231","0.1267","","","","","","1.07","","","","has coordinates","200438","2020-10-21","18:00:00",""
"7031544","10.1491","0.0003","12.8821","0.0003","12.8714","0.0003","90","","103.291","0.001","90","","1637.75","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MW trans-FeCl2(PN-Ph)2","trans-Cl,P,N-[Fe(PN^Me^-Ph)~2~Cl~2~] (2b)","","- C36 H34 Cl2 Fe N4 P2 -","- C36 H34 Cl2 Fe N4 P2 -","- C72 H68 Cl4 Fe2 N8 P4 -","2","0.5","","Holzhacker, Christian; Calhorda, Maria José; Gil, Adrià; Carvalho, Maria Deus; Ferreira, Liliana P.; Stöger, Berthold; Mereiter, Kurt; Weil, Matthias; Müller, Danny; Weinberger, Peter; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Six-coordinate high-spin iron(ii) complexes with bidentate PN ligands based on 2-aminopyridine - new Fe(ii) spin crossover systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11152","11164","10.1039/c4dt00186a","","","0.71073","MoKα","","0.0576","0.0356","","","0.074","0.0806","","","","","","1.02","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031545","32.0762","0.0014","35.738","0.002","19.252","0.002","90","","90","","90","","22069","3","100","","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","cis-P,N-[Fe(PN^H^-Ph)~3~]Br~2~ (5b)","","- C51 H45 Br2 Fe N6 P3 -","- C51 H45 Br2 Fe N6 P3 -","- C816 H720 Br32 Fe16 N96 P48 -","16","1","","Holzhacker, Christian; Calhorda, Maria José; Gil, Adrià; Carvalho, Maria Deus; Ferreira, Liliana P.; Stöger, Berthold; Mereiter, Kurt; Weil, Matthias; Müller, Danny; Weinberger, Peter; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Six-coordinate high-spin iron(ii) complexes with bidentate PN ligands based on 2-aminopyridine - new Fe(ii) spin crossover systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11152","11164","10.1039/c4dt00186a","","x-ray","0.71073","MoKα","","0.0512","0.0373","","","0.078","0.0819","","","","1.15","1.15","1.06","","","","has coordinates","288070","2023-12-06","12:57:00",""
"7031546","10.7266","0.0013","20.317","0.003","21.13","0.003","64.129","0.002","83.943","0.002","89.942","0.002","4115","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","1466 xx4 [Fe(PN-Ph)2(AN)2](BF4)2.solv","[Fe(PN-Ph)2(CH3CN)2](BF4)2.solv","","- C38 H36 B2 F8 Fe N6 P2 -","- C38 H36 B2 F8 Fe N6 P2 -","- C152 H144 B8 F32 Fe4 N24 P8 -","4","2","","Holzhacker, Christian; Calhorda, Maria José; Gil, Adrià; Carvalho, Maria Deus; Ferreira, Liliana P.; Stöger, Berthold; Mereiter, Kurt; Weil, Matthias; Müller, Danny; Weinberger, Peter; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Six-coordinate high-spin iron(ii) complexes with bidentate PN ligands based on 2-aminopyridine - new Fe(ii) spin crossover systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11152","11164","10.1039/c4dt00186a","","","0.71073","MoKα","","0.0762","0.0606","","","0.1574","0.1649","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031547","15.967","0.0013","17.4625","0.0014","39.938","0.003","90","","90.341","0.001","90","","11135.5","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C146 H128 Br2 Cl2 In N11 -","- C146 H128 Br2 Cl2 In N11 -","- C584 H512 Br8 Cl8 In4 N44 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Design, crystal structures and magnetic properties of anionic salts containing fullerene C60 and indium(iii) bromide phthalocyanine radical anions.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13061","","10.1039/c4dt01153h","","","0.71073","MoKα","","0.1418","0.0844","","","0.189","0.213","","","","","","1.081","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031548","16.275","0.001","17.518","0.001","40.243","0.002","90","","90.874","0.001","90","","11472.2","1.1","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C146 H128 Br2 Cl2 In N11 -","- C145.94 H128 Br2 Cl2 In N11 -","- C583.76 H512 Br8 Cl8 In4 N44 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Design, crystal structures and magnetic properties of anionic salts containing fullerene C60 and indium(iii) bromide phthalocyanine radical anions.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13061","","10.1039/c4dt01153h","","","0.71073","MoKα","","0.1212","0.0809","","","0.1926","0.2209","","","","","","1.073","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031549","22.3081","0.0005","16.9276","0.0004","24.9563","0.0005","90","","115.282","0.001","90","","8521.4","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C120 H74 Br Cl2 In N10 -","- C120 H74 Br Cl2 In N10 -","- C480 H296 Br4 Cl8 In4 N40 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Design, crystal structures and magnetic properties of anionic salts containing fullerene C60 and indium(iii) bromide phthalocyanine radical anions.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13061","","10.1039/c4dt01153h","","","0.71073","MoKα","","0.2522","0.1349","","","0.3716","0.4274","","","","","","1.32","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031550","16.852","0.003","9.292","0.002","15.791","0.003","90","","114.57","0.03","90","","2248.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Mn N4 O6 -","- C24 H24 Mn N4 O6 -","- C96 H96 Mn4 N16 O24 -","4","1","","Campagna, Sebastiano; Puntoriero, Fausto; Nastasi, Francesco; Serroni, Scolastica; Olivier, Jean-Hubert; Ziessel, Raymond","Photophysical properties of an unusual bichromophoric species constructed from a cyclometalated Pt(II) chromophore and a blue Bodipy-acetylacetonate species","Dalton Transactions","2014","","","","","10.1039/c4dt01127a","","","0.71073","MoKα","","0.0565","0.027","","","0.0383","0.0397","","","","","","0.813","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031551","12.731","0.003","12.876","0.003","22.096","0.004","93.88","0.03","100","0.03","107.99","0.03","3364.1","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Mn N4 O9 -","- C36 H32 Mn N4 O9 -","- C144 H128 Mn4 N16 O36 -","4","2","","Campagna, Sebastiano; Puntoriero, Fausto; Nastasi, Francesco; Serroni, Scolastica; Olivier, Jean-Hubert; Ziessel, Raymond","Photophysical properties of an unusual bichromophoric species constructed from a cyclometalated Pt(II) chromophore and a blue Bodipy-acetylacetonate species","Dalton Transactions","2014","","","","","10.1039/c4dt01127a","","","0.71073","MoKα","","0.0724","0.0316","","","0.0376","0.0403","","","","","","0.842","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031552","20.318","0.004","11.781","0.003","9.576","0.002","90","","90","","90","","2292.2","0.9","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C5 H13 Mn N2 O9.5 -","- C5 H13 Mn N2 O9.5 -","- C40 H104 Mn8 N16 O76 -","8","1","","Campagna, Sebastiano; Puntoriero, Fausto; Nastasi, Francesco; Serroni, Scolastica; Olivier, Jean-Hubert; Ziessel, Raymond","Photophysical properties of an unusual bichromophoric species constructed from a cyclometalated Pt(II) chromophore and a blue Bodipy-acetylacetonate species","Dalton Transactions","2014","","","","","10.1039/c4dt01127a","","","0.71073","MoKα","","0.062","0.0271","","","0.0375","0.0404","","","","","","0.959","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031553","18.4679","0.0006","8.6405","0.0003","20.7717","0.0008","90","","90","","90","","3314.6","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H16 I4 N2 Pb -","- C5 H16 I4 N2 Pb -","- C40 H128 I32 N16 Pb8 -","8","1","","Yu, Tanlai; Zhang, Lin; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Hydrogen bonds and steric effects induced structural modulation of three layered iodoplumbate hybrids from nonperovskite to perovskite structure.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13115","","10.1039/c4dt01181c","","","0.71073","MoKα","","0.04","0.031","","","0.071","0.0752","","","","","","1.138","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031554","8.7958","0.0003","12.3844","0.0006","18.7377","0.001","85.377","0.004","88.212","0.003","78.755","0.004","1995.16","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H80 I18 N8 Pb5 -","- C28 H80 I18 N8 Pb5 -","- C28 H80 I18 N8 Pb5 -","1","0.5","","Yu, Tanlai; Zhang, Lin; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Hydrogen bonds and steric effects induced structural modulation of three layered iodoplumbate hybrids from nonperovskite to perovskite structure.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13115","","10.1039/c4dt01181c","","","0.71073","MoKα","","0.0562","0.0378","","","0.0746","0.0822","","","","","","1.032","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031555","11.2041","0.0006","8.0665","0.0004","15.7101","0.0009","90","","102.179","0.006","90","","1387.89","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 I8 N2 Pb3 -","- C6 H18 I8 N2 Pb3 -","- C12 H36 I16 N4 Pb6 -","2","0.5","","Yu, Tanlai; Zhang, Lin; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Hydrogen bonds and steric effects induced structural modulation of three layered iodoplumbate hybrids from nonperovskite to perovskite structure.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13115","","10.1039/c4dt01181c","","","0.71073","MoKα","","0.0836","0.0658","","","0.1488","0.1687","","","","","","1.056","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031556","9.9625","0.0008","10.7349","0.0009","19.7412","0.0016","90","","90","","90","","2111.3","0.3","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H37 Cr N3 S -","- C16 H37 Cr N3 S -","- C64 H148 Cr4 N12 S4 -","4","1","","Bemowski, Ross D.; Singh, Amrendra K.; Bajorek, Bailey J.; DePorre, Yvonne; Odom, Aaron L.","Effective donor abilities of E-t-Bu and EPh (E = O, S, Se, Te) to a high valent transition metal.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12299","12305","10.1039/c4dt01314j","","","0.71073","MoKα","","0.0367","0.0334","","","0.0858","0.0887","","","","","","1.0329","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031557","13.0772","0.0009","9.4776","0.0007","17.8289","0.0013","90","","105.233","0.001","90","","2132.1","0.3","173.13","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H37 Cr N3 Se -","- C16 H37 Cr N3 Se -","- C64 H148 Cr4 N12 Se4 -","4","1","","Bemowski, Ross D.; Singh, Amrendra K.; Bajorek, Bailey J.; DePorre, Yvonne; Odom, Aaron L.","Effective donor abilities of E-t-Bu and EPh (E = O, S, Se, Te) to a high valent transition metal.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12299","12305","10.1039/c4dt01314j","","","0.71073","MoKα","","0.0532","0.0342","","","0.0763","0.0845","","","","","","1.0162","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031558","13.1606","0.0012","9.5014","0.0008","18.01","0.0016","90","","103.494","0.001","90","","2189.9","0.3","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H37 Cr N3 Te -","- C16 H37 Cr N3 Te -","- C64 H148 Cr4 N12 Te4 -","4","1","","Bemowski, Ross D.; Singh, Amrendra K.; Bajorek, Bailey J.; DePorre, Yvonne; Odom, Aaron L.","Effective donor abilities of E-t-Bu and EPh (E = O, S, Se, Te) to a high valent transition metal.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12299","12305","10.1039/c4dt01314j","","","0.71073","MoKα","","0.0511","0.0342","","","0.0719","0.0803","","","","","","1.0053","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031559","8.3363","0.001","12.2722","0.0015","21.057","0.003","90","","96.799","0.001","90","","2139.1","0.5","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 Cr N3 Te -","- C18 H33 Cr N3 Te -","- C72 H132 Cr4 N12 Te4 -","4","1","","Bemowski, Ross D.; Singh, Amrendra K.; Bajorek, Bailey J.; DePorre, Yvonne; Odom, Aaron L.","Effective donor abilities of E-t-Bu and EPh (E = O, S, Se, Te) to a high valent transition metal.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12299","12305","10.1039/c4dt01314j","","","0.71073","MoKα","","0.0286","0.0242","","","0.0603","0.0639","","","","","","1.057","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031560","7.6213","0.0006","14.7207","0.0011","18.6479","0.0014","90","","90.931","0.001","90","","2091.8","0.3","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 Cr N3 Se -","- C18 H33 Cr N3 Se -","- C72 H132 Cr4 N12 Se4 -","4","1","","Bemowski, Ross D.; Singh, Amrendra K.; Bajorek, Bailey J.; DePorre, Yvonne; Odom, Aaron L.","Effective donor abilities of E-t-Bu and EPh (E = O, S, Se, Te) to a high valent transition metal.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12299","12305","10.1039/c4dt01314j","","","0.71073","MoKα","","0.0445","0.0354","","","0.0797","0.0853","","","","","","1.1","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031561","17.315","0.0005","16.0128","0.0006","10.1781","0.0003","90","","90","","90","","2822","0.16","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H34 B F2 N3 -","- C33 H34 B F2 N3 -","- C132 H136 B4 F8 N12 -","4","1","","Misra, Rajneesh; Jadhav, Thaksen; Dhokale, Bhausaheb; Gautam, Prabhat; Sharma, Rekha; Maragani, Ramesh; Mobin, Shaikh M.","Carbazole-BODIPY conjugates: design, synthesis, structure and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13076","","10.1039/c4dt00983e","","","0.71073","MoKα","","0.0609","0.0461","","","0.1099","0.1203","","","","","","1.017","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031562","5.524","0.0003","13.3635","0.0008","27.7672","0.0015","90","","90","","90","","2049.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 B F2 N3 -","- C25 H18 B F2 N3 -","- C100 H72 B4 F8 N12 -","4","1","","Misra, Rajneesh; Jadhav, Thaksen; Dhokale, Bhausaheb; Gautam, Prabhat; Sharma, Rekha; Maragani, Ramesh; Mobin, Shaikh M.","Carbazole-BODIPY conjugates: design, synthesis, structure and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13076","","10.1039/c4dt00983e","","","0.71073","MoKα","","0.0584","0.0466","","","0.1219","0.1333","","","","","","1.081","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031563","30.902","0.0009","8.2967","0.0002","15.5348","0.0004","90","","90","","90","","3982.88","0.18","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H18 B F2 N3 -","- C25 H18 B F2 N3 -","- C200 H144 B8 F16 N24 -","8","1","","Misra, Rajneesh; Jadhav, Thaksen; Dhokale, Bhausaheb; Gautam, Prabhat; Sharma, Rekha; Maragani, Ramesh; Mobin, Shaikh M.","Carbazole-BODIPY conjugates: design, synthesis, structure and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13076","","10.1039/c4dt00983e","","","0.71073","MoKα","","0.0915","0.0541","","","0.1267","0.1468","","","","","","1.027","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031564","7.0908","0.0013","22.814","0.004","14.215","0.003","90","","102.509","0.003","90","","2245","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cu N6 O8 -","- C20 H22 Cu N6 O8 -","- C80 H88 Cu4 N24 O32 -","4","1","","Manikandamathavan, V. M.; Weyhermüller, T; Parameswari, R. P.; Sathishkumar, M.; Subramanian, V.; Nair, Balachandran Unni","DNA/protein interaction and cytotoxic activity of imidazole terpyridine derived Cu(ii)/Zn(ii) metal complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13018","","10.1039/c4dt01378f","","","0.71073","MoKα","","0.0335","0.0288","","","0.0792","0.0828","","","","","","1.039","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031565","35.148","0.003","16.7802","0.0016","23.3","0.002","90","","127.931","0.002","90","","10839.1","1.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 Ag5 F6 O8 P5 S8 -","- C24 H56 Ag5 F6 O8 P5 S8 -","- C192 H448 Ag40 F48 O64 P40 S64 -","8","1","","Liao, Jian-Hong; Chang, Hao-Wei; Li, Yi-Juan; Fang, Ching-Shiang; Sarkar, Bijay; van Zyl, Werner E.; Liu, C. W.","Anion templating from a silver(i) dithiophosphate 1D polymer forming discrete cationic and neutral octa- and decanuclear silver(i) clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12380","12389","10.1039/c4dt00691g","","","0.71073","MoKα","","0.0775","0.0481","","","0.1242","0.1378","","","","","","0.978","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031566","24.1642","0.001","13.1505","0.0006","24.9918","0.0011","90","","92.366","0.001","90","","7934.9","0.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H84 Ag8 F7 O12 P7 S12 -","- C36 H84 Ag8 F7 O12 P7 S12 -","- C144 H336 Ag32 F28 O48 P28 S48 -","4","0.5","","Liao, Jian-Hong; Chang, Hao-Wei; Li, Yi-Juan; Fang, Ching-Shiang; Sarkar, Bijay; van Zyl, Werner E.; Liu, C. W.","Anion templating from a silver(i) dithiophosphate 1D polymer forming discrete cationic and neutral octa- and decanuclear silver(i) clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12380","12389","10.1039/c4dt00691g","","","0.71073","MoKα","","0.0461","0.0338","","","0.0834","0.0907","","","","","","1.015","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031567","12.87","0.004","13.066","0.002","13.778","0.002","117.176","0.003","99.416","0.005","95.281","0.005","1996.3","0.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H84 Ag8 Br F6 O12 P7 S12 -","- C36 H84 Ag8 Br F6 O12 P7 S12 -","- C36 H84 Ag8 Br F6 O12 P7 S12 -","1","0.5","","Liao, Jian-Hong; Chang, Hao-Wei; Li, Yi-Juan; Fang, Ching-Shiang; Sarkar, Bijay; van Zyl, Werner E.; Liu, C. W.","Anion templating from a silver(i) dithiophosphate 1D polymer forming discrete cationic and neutral octa- and decanuclear silver(i) clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12380","12389","10.1039/c4dt00691g","","","0.71073","MoKα","","0.0696","0.0631","","","0.1886","0.1981","","","","","","1.033","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031568","24.1617","0.0008","13.1118","0.0005","24.9456","0.0009","90","","92.301","0.001","90","","7896.5","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H85 Ag8 F6 O12 P7 S12 -","- C36 H85 Ag8 F6 O12 P7 S12 -","- C144 H340 Ag32 F24 O48 P28 S48 -","4","0.5","","Liao, Jian-Hong; Chang, Hao-Wei; Li, Yi-Juan; Fang, Ching-Shiang; Sarkar, Bijay; van Zyl, Werner E.; Liu, C. W.","Anion templating from a silver(i) dithiophosphate 1D polymer forming discrete cationic and neutral octa- and decanuclear silver(i) clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12380","12389","10.1039/c4dt00691g","","","0.71073","MoKα","","0.066","0.0499","","","0.1292","0.1437","","","","","","1.073","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031569","12.8486","0.0012","12.9911","0.0006","13.7516","0.0006","117.186","0.001","99.342","0.001","95.43","0.001","1977.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H84 Ag8 O12 P6 S13 -","- C36 H84 Ag8 O12 P6 S13 -","- C36 H84 Ag8 O12 P6 S13 -","1","0.5","","Liao, Jian-Hong; Chang, Hao-Wei; Li, Yi-Juan; Fang, Ching-Shiang; Sarkar, Bijay; van Zyl, Werner E.; Liu, C. W.","Anion templating from a silver(i) dithiophosphate 1D polymer forming discrete cationic and neutral octa- and decanuclear silver(i) clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12380","12389","10.1039/c4dt00691g","","","0.71073","MoKα","","0.0462","0.0358","","","0.1007","0.1062","","","","","","1.076","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031570","14.5923","0.001","23.5026","0.0015","24.2656","0.0016","90","","92.122","0.002","90","","8316.4","1","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H84 Ag10 I4 O12 P6 S12 -","- C36 H84 Ag10 I4 O12 P6 S12 -","- C144 H336 Ag40 I16 O48 P24 S48 -","4","1","","Liao, Jian-Hong; Chang, Hao-Wei; Li, Yi-Juan; Fang, Ching-Shiang; Sarkar, Bijay; van Zyl, Werner E.; Liu, C. W.","Anion templating from a silver(i) dithiophosphate 1D polymer forming discrete cationic and neutral octa- and decanuclear silver(i) clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12380","12389","10.1039/c4dt00691g","","","0.71073","MoKα","","0.0449","0.0331","","","0.0781","0.0855","","","","","","1.016","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031571","11.6961","0.0005","15.1943","0.0007","15.9594","0.0007","96.611","0.002","109.061","0.002","111.884","0.002","2395.1","0.2","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H29 Cl4 F20 O4.5 P2 Ru2 S4 -","- C34 H22 Cl4 F20 O4 P2 Ru2 S4 -","- C68 H44 Cl8 F40 O8 P4 Ru4 S8 -","2","1","","Naidu, K. S.; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Synthesis, characterization and reactivity studies of electrophilic ruthenium(ii) complexes: a study of H2 activation and labilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13410","13423","10.1039/c4dt00295d","","","0.71073","MoKα","","0.0982","0.0573","","","0.1359","0.1515","","","","","","0.972","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031572","13.3638","0.001","15.3727","0.0012","18.2384","0.0013","93.202","0.004","110.568","0.004","107.691","0.004","3286.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H22 Cl5 F40 O3 P4 Ru2 -","- C52 H8 Cl5 F40 P4 Ru2 -","- C104 H16 Cl10 F80 P8 Ru4 -","2","1","","Naidu, K. S.; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Synthesis, characterization and reactivity studies of electrophilic ruthenium(ii) complexes: a study of H2 activation and labilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13410","13423","10.1039/c4dt00295d","","","0.71073","MoKα","","0.0621","0.049","","","0.1217","0.1281","","","","","","0.916","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031573","11.9861","0.0009","14.4311","0.0011","16.8372","0.0012","71.256","0.004","70.57","0.004","67.871","0.004","2479.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H15 Cl11 F20 N2 P2 Ru -","- C39 H15 Cl11 F20 N2 P2 Ru -","- C78 H30 Cl22 F40 N4 P4 Ru2 -","2","1","","Naidu, K. S.; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Synthesis, characterization and reactivity studies of electrophilic ruthenium(ii) complexes: a study of H2 activation and labilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13410","13423","10.1039/c4dt00295d","","","0.71073","MoKα","","0.0839","0.0598","","","0.1626","0.1818","","","","","","1.055","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031574","12.597","0.005","11.179","0.005","28.426","0.005","90","","90.797","0.005","90","","4003","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H18 Cl2 F20 N2 O2 P2 Ru -","- C38 H12 Cl2 F20 N2 P2 Ru -","- C152 H48 Cl8 F80 N8 P8 Ru4 -","4","1","","Naidu, K. S.; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Synthesis, characterization and reactivity studies of electrophilic ruthenium(ii) complexes: a study of H2 activation and labilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13410","13423","10.1039/c4dt00295d","","","0.71073","MoKα","","0.0577","0.0393","","","0.0861","0.091","","","","","","1.132","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031575","16.1027","0.0005","18.646","0.0005","21.5432","0.0006","113.439","0.003","93.612","0.002","112.231","0.003","5317.1","0.3","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C41 H28 Cl F23 N2 O8.5 P3 Ru S -","- C40 H21 Cl F23 N2 O6 P3 Ru S -","- C160 H84 Cl4 F92 N8 O24 P12 Ru4 S4 -","4","2","","Naidu, K. S.; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Synthesis, characterization and reactivity studies of electrophilic ruthenium(ii) complexes: a study of H2 activation and labilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13410","13423","10.1039/c4dt00295d","","","0.71073","MoKα","","0.0503","0.0394","","","0.0988","0.106","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031576","16.2162","0.0006","18.2514","0.0007","20.5416","0.0007","109.487","0.001","94.687","0.001","113.298","0.001","5101.3","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C43.5 H32 Cl F23 N2 O5 P3 Ru S -","- C40 H21 Cl F23 N2 O3 P3 Ru S -","- C160 H84 Cl4 F92 N8 O12 P12 Ru4 S4 -","4","2","","Naidu, K. S.; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Synthesis, characterization and reactivity studies of electrophilic ruthenium(ii) complexes: a study of H2 activation and labilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13410","13423","10.1039/c4dt00295d","","","0.71073","MoKα","","0.0537","0.0453","","","0.1194","0.1249","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031577","45.7793","0.0019","12.2606","0.0006","31.1479","0.0014","90","","123.569","0.002","90","","14567","1.2","296","2","296","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C68 H28 B Cl F44 N2 O2 P2 Ru -","- C68 H26 B Cl F44 N2 O2 P2 Ru -","- C544 H208 B8 Cl8 F352 N16 O16 P16 Ru8 -","8","1","","Naidu, K. S.; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Synthesis, characterization and reactivity studies of electrophilic ruthenium(ii) complexes: a study of H2 activation and labilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13410","13423","10.1039/c4dt00295d","","","0.71073","MoKα","","0.083","0.0566","","","0.1613","0.1838","","","","","","1.156","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031578","35.246","0.005","13.157","0.005","23.854","0.005","90","","117.195","0.01","90","","9839","5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 F23 N2 O6 P3 Ru S -","- C42 H22 F23 N2 O5.5 P3 Ru S -","- C336 H176 F184 N16 O44 P24 Ru8 S8 -","8","1","","Naidu, K. S.; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Synthesis, characterization and reactivity studies of electrophilic ruthenium(ii) complexes: a study of H2 activation and labilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13410","13423","10.1039/c4dt00295d","","","0.71073","MoKα","","0.0999","0.0727","","","0.2058","0.2335","","","","","","1.15","","","","has coordinates,has disorder","180021","2020-10-21","18:00:00",""
"7031579","13.5067","0.0019","15.1532","0.0019","24.67","0.003","90","","104.488","0.007","90","","4888.6","1.1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H30 F23 N2 O9 P3 Ru S -","- C41 H30 F23 N2 O9 P3 Ru S -","- C164 H120 F92 N8 O36 P12 Ru4 S4 -","4","1","","Naidu, K. S.; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Synthesis, characterization and reactivity studies of electrophilic ruthenium(ii) complexes: a study of H2 activation and labilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13410","13423","10.1039/c4dt00295d","","","0.71073","MoKα","","0.061","0.0534","","","0.1526","0.1658","","","","","","0.959","","","","has coordinates,has disorder","198676","2020-10-21","18:00:00",""
"7031580","36.08","0.005","12.8866","0.0018","24.761","0.004","90","","118.406","0.013","90","","10126","3","110","2","110","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 F23 N2 O7 P3 Ru S -","- C40 H21 F23 N2 O6 P3 Ru S -","- C320 H168 F184 N16 O48 P24 Ru8 S8 -","8","1","","Naidu, K. S.; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Synthesis, characterization and reactivity studies of electrophilic ruthenium(ii) complexes: a study of H2 activation and labilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13410","13423","10.1039/c4dt00295d","","","0.71073","MoKα","","0.0689","0.0423","","","0.0942","0.1004","","","","","","0.9","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031581","12.4013","0.0009","40.588","0.003","21.9501","0.0015","90","","100.534","0.003","90","","10862.2","1.4","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H29 Cl F26 N2 O12.5 P3 Ru S2 -","- C41.5 H21 Cl F26 N2 O10 P3 Ru S2 -","- C332 H168 Cl8 F208 N16 O80 P24 Ru8 S16 -","8","2","","Naidu, K. S.; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Synthesis, characterization and reactivity studies of electrophilic ruthenium(ii) complexes: a study of H2 activation and labilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13410","13423","10.1039/c4dt00295d","","","0.71073","MoKα","","0.162","0.1132","","","0.333","0.3604","","","","","","1.248","","","","has coordinates","182257","2020-10-21","18:00:00",""
"7031582","22.308","0.002","22.308","0.002","22.308","0.002","90","","90","","90","","11101.5","1.7","160.15","","160.15","","","","","","","","","4","I a -3","-I 2b 2c 3","206","","","","- C8 H4 Co O6 -","- C8 H4 Co O6 -","- C384 H192 Co48 O288 -","48","1","","Wang, Kai; Zou, Hua-Hong; Chen, Zi-Lu; Zhang, Zhong; Sun, Wei-Yin; Liang, Fu-Pei","A series of 3D metal organic frameworks based on [24-MC-6] metallacrown clusters: structure, magnetic and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12989","","10.1039/c4dt01593b","","","0.71073","MoKα","","0.0549","0.0367","","","0.0961","0.1087","","","","","","1.0515","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031583","22.68","0.002","22.68","0.002","22.68","0.002","90","","90","","90","","11666.2","1.8","160.15","","160.15","","","","","","","","","4","I a -3","-I 2b 2c 3","206","","","","- C8 H4 Mn O6 -","- C8 H4 Mn O6 -","- C384 H192 Mn48 O288 -","48","1","","Wang, Kai; Zou, Hua-Hong; Chen, Zi-Lu; Zhang, Zhong; Sun, Wei-Yin; Liang, Fu-Pei","A series of 3D metal organic frameworks based on [24-MC-6] metallacrown clusters: structure, magnetic and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12989","","10.1039/c4dt01593b","","","0.71073","MoKα","","0.0583","0.0424","","","0.1255","0.1437","","","","","","1.187","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031584","22.9897","0.0018","22.9897","0.0018","22.9897","0.0018","90","","90","","90","","12150.7","1.6","160.15","","160.15","","","","","","","","","4","I a -3","-I 2b 2c 3","206","","","","- C8 H4 Cd O6 -","- C8 H4 Cd O6 -","- C384 H192 Cd48 O288 -","48","1","","Wang, Kai; Zou, Hua-Hong; Chen, Zi-Lu; Zhang, Zhong; Sun, Wei-Yin; Liang, Fu-Pei","A series of 3D metal organic frameworks based on [24-MC-6] metallacrown clusters: structure, magnetic and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12989","","10.1039/c4dt01593b","","","0.71073","MoKα","","0.0254","0.0241","","","0.0668","0.0685","","","","","","1.053","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031585","22.283","0.005","22.283","0.005","22.283","0.005","90","","90","","90","","11064","4","160.15","","160.15","","","","","","","","","4","I a -3","-I 2b 2c 3","206","","Bruker APEX-II CCD","","- C48 H24 O37 Zn6 -","- C48 H24 O37 Zn6 -","- C384 H192 O296 Zn48 -","8","0.166667","","Wang, Kai; Zou, Hua-Hong; Chen, Zi-Lu; Zhang, Zhong; Sun, Wei-Yin; Liang, Fu-Pei","A series of 3D metal organic frameworks based on [24-MC-6] metallacrown clusters: structure, magnetic and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12989","","10.1039/c4dt01593b","","","0.71073","MoKα","","0.0814","0.0436","","","0.0824","0.0969","","","","","","1.0098","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031586","4.746","0.0001","21.0254","0.0006","8.6046","0.0002","90","","91.279","0.001","90","","858.41","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Mg N O7 -","- C7 H7 Mg N O7 -","- C28 H28 Mg4 N4 O28 -","4","1","","Saha, Debraj; Maity, Tanmoy; Koner, Subratanath","Alkaline earth metal-based metal-organic framework: hydrothermal synthesis, X-ray structure and heterogeneously catalyzed Claisen-Schmidt reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13006","","10.1039/c4dt00575a","","","0.71073","MoKα","","0.0342","0.0333","","","0.0882","0.089","","","","","","1.127","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031587","10.1524","0.0003","19.9761","0.0006","7.4902","0.0002","90","","94.091","0.002","90","","1515.18","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Ca N2 O10 -","- C14 H8 Ca N2 O10 -","- C56 H32 Ca4 N8 O40 -","4","0.5","","Saha, Debraj; Maity, Tanmoy; Koner, Subratanath","Alkaline earth metal-based metal-organic framework: hydrothermal synthesis, X-ray structure and heterogeneously catalyzed Claisen-Schmidt reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13006","","10.1039/c4dt00575a","","","0.71073","MoKα","","0.0494","0.0394","","","0.1088","0.1177","","","","","","0.883","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031588","7.283","0.002","11.074","0.003","13.183","0.004","107.84","0.04","98.89","0.02","105.76","0.03","940.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Br N5 O -","- C20 H20 Br N5 O -","- C40 H40 Br2 N10 O2 -","2","1","","Khanna, Shruti; Jana, Batakrishna; Saha, Abhijit; Kurkute, Prashant; Ghosh, Surajit; Verma, Sandeep","Targeting cytotoxicity and tubulin polymerization by metal-carbene complexes on a purine tautomer platform.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9838","9842","10.1039/c4dt00529e","","","0.71073","MoKα","","0.0557","0.0484","","","0.1346","0.1584","","","","","","0.649","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031589","8.9753","0.0013","8.9753","0.0013","7.7356","0.0015","90","","90","","120","","539.66","0.15","153","2","153","2","","","","","","","","5","P 63/m","-P 6c","176","Ca3B5Be6O16F","","","- B5 Be6 Ca3 F O16 -","- B5 Be6 Ca3 F O16 -","- B10 Be12 Ca6 F2 O32 -","2","0.166667","","Yao, Wenjiao; Xu, Tao; Jiang, Xingxing; Huang, Hongwei; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian","Ca3Be6B5O16F: the first alkaline-earth beryllium borate with fluorine anions.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9998","10004","10.1039/c4dt00775a","","","0.71073","MoKα","","0.0264","0.0259","","","0.0641","0.0644","","","","","","1.294","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031590","18.104","0.005","21.575","0.005","17.072","0.005","90","0.005","115.356","0.005","90","0.005","6026","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H72 Cl2 Dy2 N20 Ni8 O52 -","- C100 H72 Cl2 Dy2 N20 Ni8 O52 -","- C200 H144 Cl4 Dy4 N40 Ni16 O104 -","2","0.5","","Hossain, Sakiat; Das, Sourav; Chakraborty, Amit; Lloret, Francesc; Cano, Joan; Pardo, Emilio; Chandrasekhar, Vadapalli","S-shaped decanuclear heterometallic [Ni8Ln2] complexes [Ln(iii) = Gd, Tb, Dy and Ho]: theoretical modeling of the magnetic properties of the gadolinium analogue.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10164","10174","10.1039/c4dt00465e","","","0.71069","MoKα","","0.2186","0.1124","","","0.2641","0.3278","","","","","","1.036","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031591","18.148","0.005","21.542","0.006","17.094","0.005","90","","114.989","0.005","90","","6057","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H74 Gd2 N22 Ni8 O46 -","- C102 H74 Gd2 N22 Ni8 O46 -","- C204 H148 Gd4 N44 Ni16 O92 -","2","0.5","","Hossain, Sakiat; Das, Sourav; Chakraborty, Amit; Lloret, Francesc; Cano, Joan; Pardo, Emilio; Chandrasekhar, Vadapalli","S-shaped decanuclear heterometallic [Ni8Ln2] complexes [Ln(iii) = Gd, Tb, Dy and Ho]: theoretical modeling of the magnetic properties of the gadolinium analogue.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10164","10174","10.1039/c4dt00465e","","","0.71073","MoKα","","0.2288","0.0931","","","0.2138","0.2826","","","","","","0.973","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031592","18.181","0.005","21.581","0.005","17.132","0.004","90","","114.918","0.005","90","","6096","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104 H88 Cl2 Ho2 N20 Ni8 O50 -","- C104 H88 Cl2 Ho2 N20 Ni8 O50 -","- C208 H176 Cl4 Ho4 N40 Ni16 O100 -","2","0.5","","Hossain, Sakiat; Das, Sourav; Chakraborty, Amit; Lloret, Francesc; Cano, Joan; Pardo, Emilio; Chandrasekhar, Vadapalli","S-shaped decanuclear heterometallic [Ni8Ln2] complexes [Ln(iii) = Gd, Tb, Dy and Ho]: theoretical modeling of the magnetic properties of the gadolinium analogue.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10164","10174","10.1039/c4dt00465e","","","0.71073","MoKα","","0.2002","0.0852","","","0.1804","0.2362","","","","","","0.967","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031593","18.595","0.005","21.805","0.005","17.277","0.005","90","0.005","116.236","0.005","90","0.005","6284","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H82 Cl4 N20 Ni8 O36 Tb2 -","- C108 H82 Cl4 N20 Ni8 O36 Tb2 -","- C216 H164 Cl8 N40 Ni16 O72 Tb4 -","2","0.5","","Hossain, Sakiat; Das, Sourav; Chakraborty, Amit; Lloret, Francesc; Cano, Joan; Pardo, Emilio; Chandrasekhar, Vadapalli","S-shaped decanuclear heterometallic [Ni8Ln2] complexes [Ln(iii) = Gd, Tb, Dy and Ho]: theoretical modeling of the magnetic properties of the gadolinium analogue.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10164","10174","10.1039/c4dt00465e","","","0.71069","MoKα","","0.148","0.1048","","","0.2642","0.2915","","","","","","1.09","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031594","12.4372","0.0012","11.7065","0.0011","34.327","0.003","90","","95.484","0.001","90","","4975","0.8","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H57 Cl2 N3 O2 Ru S -","- C57 H57 Cl2 N3 O2 Ru S -","- C228 H228 Cl8 N12 O8 Ru4 S4 -","4","1","","Occhipinti, Giovanni; Koudriavtsev, Vitali; Törnroos, Karl W; Jensen, Vidar R.","Theory-assisted development of a robust and Z-selective olefin metathesis catalyst.","Dalton transactions (Cambridge, England : 2003)","2014","43","29","11106","11117","10.1039/c4dt00409d","","","0.71073","MoKα","","0.0605","0.0537","","","0.133","0.1369","","","","","","1.138","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031595","9.1229","0.0009","10.9815","0.0011","16.3366","0.0017","90","","90","","90","","1636.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 B N4 -","- C20 H17 B N4 -","- C80 H68 B4 N16 -","4","1","","Dijkstra, Peter; Angelone, Davide; Talnishnikh, Elena; Wörtche, Heinrich J; Otten, Edwin; Browne, Wesley R.","Pyridyl-1,2,4-triazole diphenyl boron complexes as efficient tuneable blue emitters.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17740","17745","10.1039/c4dt01393j","","","0.71073","MoKα","","0.0318","0.0303","","","0.0766","0.0779","","","","","","1.042","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031596","6.745","0.006","7.383","0.007","9.941","0.009","103.341","0.01","95.142","0.011","100.975","0.01","468.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H12 Cu N8 -","- C4 H12 Cu N8 -","- C8 H24 Cu2 N16 -","2","1","","Bhowmik, Pallab; Biswas, Saptarshi; Chattopadhyay, Shouvik; Diaz, Carmen; Gómez-García, Carlos J; Ghosh, Ashutosh","Synthesis, crystal structure and magnetic properties of two alternating double μ1,1 and μ1,3 azido bridged Cu(ii) and Ni(ii) chains.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12414","12421","10.1039/c4dt00328d","","","0.71073","MoKα","","0.0443","0.0329","","","0.0702","0.0824","","","","","","1.111","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031597","6.8792","0.0018","7.669","0.002","10.216","0.003","80.328","0.003","88.967","0.003","64.213","0.003","477.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H12 N8 Ni -","- C4 H12 N8 Ni -","- C8 H24 N16 Ni2 -","2","1","","Bhowmik, Pallab; Biswas, Saptarshi; Chattopadhyay, Shouvik; Diaz, Carmen; Gómez-García, Carlos J; Ghosh, Ashutosh","Synthesis, crystal structure and magnetic properties of two alternating double μ1,1 and μ1,3 azido bridged Cu(ii) and Ni(ii) chains.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12414","12421","10.1039/c4dt00328d","","","0.71073","MoKα","","0.0563","0.0435","","","0.1122","0.1218","","","","","","1.023","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031598","11.9037","0.0017","11.9037","0.0017","16.046","0.003","90","","90","","90","","2273.7","0.6","293","2","293","2","","","","","","","","7","P 42/m b c","-P 4c 2ab","135","","","","- C2 H8 Br K0.63 Mn O10.38 Ru -","- C2 H8 Br K0.532 Mn O10.532 Ru -","- C16 H64 Br8 K4.256 Mn8 O84.256 Ru8 -","8","0.5","","Hou, Xiao-Feng; Jia, Yan-Yan; Yang, Jian-Hui; Cao, Zhi; Liu, Bin","Isomeric chain structures of {[Mn(H2O)4]2Ru2(CO3)4Br2}n(n-): syntheses, structural diversity and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13316","13324","10.1039/c4dt01522c","","","0.71073","MoKα","","0.0558","0.047","","","0.1084","0.1138","","","","","","1.069","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031599","17.221","0.002","15.9645","0.0018","11.0234","0.0013","90","","114.308","0.002","90","","2761.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C2 Br Mn O13 Ru -","- C2 Br Mn O13 Ru -","- C16 Br8 Mn8 O104 Ru8 -","8","1","","Hou, Xiao-Feng; Jia, Yan-Yan; Yang, Jian-Hui; Cao, Zhi; Liu, Bin","Isomeric chain structures of {[Mn(H2O)4]2Ru2(CO3)4Br2}n(n-): syntheses, structural diversity and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13316","13324","10.1039/c4dt01522c","","","0.71073","MoKα","","0.0505","0.0408","","","0.1212","0.1277","","","","","","1.113","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031600","16.482","0.005","29.135","0.005","10.874","0.005","90","","112.156","0.005","90","","4836","3","100","2","100","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C61 H106 Br3 Cl15 P6 Pt3 -","- C61 H106 Br3 Cl15 P6 Pt3 -","- C122 H212 Br6 Cl30 P12 Pt6 -","2","0.5","","Chakraborty, Sourav; Mondal, Snehasish; Bhowmick, Sourav; Ma, Jianqiu; Tan, Hongwei; Neogi, Subhadip; Das, Neeladri","Triptycene based organometallic complexes: a new class of acceptor synthons for supramolecular ensembles.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13270","13277","10.1039/c4dt01298d","","","0.71073","MoKα","","0.0526","0.0506","","","0.1255","0.1272","","","","","","1.013","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031601","11.237","0.004","13.991","0.005","14.575","0.005","85.563","0.008","89.011","0.008","67.178","0.007","2105.5","1.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H20 F6 N4 O4 S Zn -","- C35 H20 F6 N4 O4 S Zn -","- C70 H40 F12 N8 O8 S2 Zn2 -","2","1","","Shi, Zhi-Qiang; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, crystal structures, and optical properties of five metal complexes constructed from a V-shaped thiophene-containing ligand and different dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13250","13258","10.1039/c4dt01400f","","","0.71073","MoKα","","0.1363","0.0758","","","0.2168","0.2379","","","","","","1.024","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031602","10.1634","0.0008","11.7309","0.0011","13.7734","0.0011","108.547","0.001","97.004","0.001","107.98","0.001","1436","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 N4 Ni O5 S -","- C26 H18 N4 Ni O5 S -","- C52 H36 N8 Ni2 O10 S2 -","2","1","","Shi, Zhi-Qiang; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, crystal structures, and optical properties of five metal complexes constructed from a V-shaped thiophene-containing ligand and different dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13250","13258","10.1039/c4dt01400f","","","0.71073","MoKα","","0.0476","0.0355","","","0.0926","0.0971","","","","","","1.017","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031603","16.3754","0.0008","7.4218","0.0004","23.9485","0.001","90","","116.683","0.003","90","","2600.6","0.2","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C52 H28 Co2 F12 N4 O8 S -","- C52 H28 Co2 F12 N4 O8 S -","- C104 H56 Co4 F24 N8 O16 S2 -","2","0.5","","Shi, Zhi-Qiang; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, crystal structures, and optical properties of five metal complexes constructed from a V-shaped thiophene-containing ligand and different dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13250","13258","10.1039/c4dt01400f","","","0.71073","MoKα","","0.0357","0.0319","","","0.0991","0.1026","","","","","","1.003","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031604","6.8708","0.0004","17.1947","0.001","19.5093","0.0011","90","","96.516","0.001","90","","2290","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Co N4 O4 S -","- C26 H16 Co N4 O4 S -","- C104 H64 Co4 N16 O16 S4 -","4","1","","Shi, Zhi-Qiang; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, crystal structures, and optical properties of five metal complexes constructed from a V-shaped thiophene-containing ligand and different dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13250","13258","10.1039/c4dt01400f","","","0.71073","MoKα","","0.0387","0.0306","","","0.091","0.0955","","","","","","1.072","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031605","25.388","0.005","10.4704","0.0019","25.786","0.005","90","","119.116","0.005","90","","5988","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 N4 O6 S2 Zn -","- C32 H20 N4 O6 S2 Zn -","- C256 H160 N32 O48 S16 Zn8 -","8","1","","Shi, Zhi-Qiang; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, crystal structures, and optical properties of five metal complexes constructed from a V-shaped thiophene-containing ligand and different dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13250","13258","10.1039/c4dt01400f","","","0.71073","MoKα","","0.0595","0.0515","","","0.1477","0.1545","","","","","","1.072","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031606","13.468","0.006","9.758","0.004","18.44","0.008","90","","90","","90","","2423.4","1.8","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cl2 Mn N6 S2 -","- C24 H18 Cl2 Mn N6 S2 -","- C96 H72 Cl8 Mn4 N24 S8 -","4","0.5","","Clark, Ewan R.; Anwar, Muhammad U.; Leontowicz, Bryce J.; Beldjoudi, Yassine; Hayward, John J.; Chan, Wesley T. K.; Gavey, Emma L.; Pilkington, Melanie; Zysman-Colman, Eli; Rawson, Jeremy M.","Synthesis and characterisation of first row transition metal complexes of functionalized 1,2,4-benzothiadiazines.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12996","","10.1039/c4dt01413h","","","0.71073","MoKα","","0.0593","0.0458","","","0.0951","0.1005","","","","","","1.156","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031607","13.3122","0.0016","9.8775","0.0012","18.354","0.002","90","","90","","90","","2413.4","0.5","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cl2 Fe N6 S2 -","- C24 H18 Cl2 Fe N6 S2 -","- C96 H72 Cl8 Fe4 N24 S8 -","4","0.5","","Clark, Ewan R.; Anwar, Muhammad U.; Leontowicz, Bryce J.; Beldjoudi, Yassine; Hayward, John J.; Chan, Wesley T. K.; Gavey, Emma L.; Pilkington, Melanie; Zysman-Colman, Eli; Rawson, Jeremy M.","Synthesis and characterisation of first row transition metal complexes of functionalized 1,2,4-benzothiadiazines.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12996","","10.1039/c4dt01413h","","","0.71073","MoKα","","0.0473","0.0413","","","0.1079","0.1134","","","","","","1.044","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031608","13.294","0.003","9.846","0.002","18.407","0.004","90","","90","","90","","2409.3","0.9","180","2","180","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cl2 Co N6 S2 -","- C24 H18 Cl2 Co N6 S2 -","- C96 H72 Cl8 Co4 N24 S8 -","4","0.5","","Clark, Ewan R.; Anwar, Muhammad U.; Leontowicz, Bryce J.; Beldjoudi, Yassine; Hayward, John J.; Chan, Wesley T. K.; Gavey, Emma L.; Pilkington, Melanie; Zysman-Colman, Eli; Rawson, Jeremy M.","Synthesis and characterisation of first row transition metal complexes of functionalized 1,2,4-benzothiadiazines.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12996","","10.1039/c4dt01413h","","","0.71073","MoKα","","0.1029","0.0562","","","0.1275","0.1536","","","","","","1.068","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031609","9.89","0.002","13.18","0.003","18.563","0.004","90","","90","","90","","2419.7","0.9","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H18 Cl2 Cu N6 S2 -","- C24 H18 Cl2 Cu N6 S2 -","- C96 H72 Cl8 Cu4 N24 S8 -","4","1","","Clark, Ewan R.; Anwar, Muhammad U.; Leontowicz, Bryce J.; Beldjoudi, Yassine; Hayward, John J.; Chan, Wesley T. K.; Gavey, Emma L.; Pilkington, Melanie; Zysman-Colman, Eli; Rawson, Jeremy M.","Synthesis and characterisation of first row transition metal complexes of functionalized 1,2,4-benzothiadiazines.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12996","","10.1039/c4dt01413h","","","0.71073","MoKα","","0.054","0.0428","","","0.0992","0.1064","","","","","","1.092","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031610","13.282","0.007","9.799","0.005","18.426","0.01","90","","90","","90","","2398","2","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H18 Cl2 N6 S2 Zn -","- C24 H18 Cl2 N6 S2 Zn -","- C96 H72 Cl8 N24 S8 Zn4 -","4","0.5","","Clark, Ewan R.; Anwar, Muhammad U.; Leontowicz, Bryce J.; Beldjoudi, Yassine; Hayward, John J.; Chan, Wesley T. K.; Gavey, Emma L.; Pilkington, Melanie; Zysman-Colman, Eli; Rawson, Jeremy M.","Synthesis and characterisation of first row transition metal complexes of functionalized 1,2,4-benzothiadiazines.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12996","","10.1039/c4dt01413h","","","0.71073","MoKα","","0.0472","0.0362","","","0.0779","0.0823","","","","","","1.086","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031611","9.0429","0.0003","22.3081","0.0005","7.1341","0.0003","90","","116.72","0.003","90","","1285.48","0.08","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H9 Cl2 Cu N3 S -","- C12 H9 Cl2 Cu N3 S -","- C48 H36 Cl8 Cu4 N12 S4 -","4","1","","Clark, Ewan R.; Anwar, Muhammad U.; Leontowicz, Bryce J.; Beldjoudi, Yassine; Hayward, John J.; Chan, Wesley T. K.; Gavey, Emma L.; Pilkington, Melanie; Zysman-Colman, Eli; Rawson, Jeremy M.","Synthesis and characterisation of first row transition metal complexes of functionalized 1,2,4-benzothiadiazines.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12996","","10.1039/c4dt01413h","","","0.71073","MoKα","","0.0357","0.032","","","0.0657","0.0685","","","","","","1.056","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031612","12.236","0.004","14.022","0.004","15.179","0.005","88.805","0.003","79.225","0.003","73.71","0.003","2454.3","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H27 F6 Fe N9 O6 S5 -","- C38 H27 F6 Fe N9 O6 S5 -","- C76 H54 F12 Fe2 N18 O12 S10 -","2","1","","Clark, Ewan R.; Anwar, Muhammad U.; Leontowicz, Bryce J.; Beldjoudi, Yassine; Hayward, John J.; Chan, Wesley T. K.; Gavey, Emma L.; Pilkington, Melanie; Zysman-Colman, Eli; Rawson, Jeremy M.","Synthesis and characterisation of first row transition metal complexes of functionalized 1,2,4-benzothiadiazines.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12996","","10.1039/c4dt01413h","","","0.71073","MoKα","","0.0794","0.0667","","","0.1754","0.1856","","","","","","1.025","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031613","12.606","0.006","12.609","0.006","17.194","0.008","90","","96.886","0.005","90","","2713","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl2 N6 O2 S2 V -","- C25 H22 Cl2 N6 O2 S2 V -","- C100 H88 Cl8 N24 O8 S8 V4 -","4","1","","Clark, Ewan R.; Anwar, Muhammad U.; Leontowicz, Bryce J.; Beldjoudi, Yassine; Hayward, John J.; Chan, Wesley T. K.; Gavey, Emma L.; Pilkington, Melanie; Zysman-Colman, Eli; Rawson, Jeremy M.","Synthesis and characterisation of first row transition metal complexes of functionalized 1,2,4-benzothiadiazines.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12996","","10.1039/c4dt01413h","","","0.71073","MoKα","","0.1208","0.077","","","0.1841","0.2139","","","","","","1.071","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7031614","7.5063","0.0002","29.7019","0.0008","11.2833","0.0003","90","","95.617","0.001","90","","2503.55","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cr I N O7 Re -","- C21 H25 Cr I N O7 Re -","- C84 H100 Cr4 I4 N4 O28 Re4 -","4","1","","Sazonov, Petr K.; Ivushkin, Vasiliy A.; Khrustalev, Victor N.; Kolotyrkina, Natal'ya G.; Beletskaya, Irina P.","A halogenophilic pathway in the reactions of transition metal carbonyl anions with [(η(6)-iodobenzene)Cr(CO)3].","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13392","13398","10.1039/c4dt01363h","","","0.71073","MoKα","","0.0359","0.0295","","","0.0616","0.0637","","","","","","1.002","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031615","20.543","0.006","24.132","0.004","28.016","0.003","90","","90","","90","","13889","5","100","2","100","2","","","","","","","","8","P c a b","-P 2bc 2ac","61","[Ru([9]aneS~3~)(cpp)(PTAH)][Cl~2~]","","","- C44 H62 Cl4 N12 O16.5 P2 Ru2 S6 -","- C44 H62 Cl4 N12 O16.5 P2 Ru2 S6 -","- C352 H496 Cl32 N96 O132 P16 Ru16 S48 -","8","1","","Iengo, E.; Demitri, N.; Balducci, G.; Alessio, E.","An irresolute linker: separation, and structural and spectroscopic characterization of the two linkage isomers of a Ru(ii)-(2-(2'-pyridyl)pyrimidine-4-carboxylic acid) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12160","12163","10.1039/c4dt01282h","","","0.7","Synchrotron","","0.0413","0.0373","","","0.097","0.1001","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031616","10.864","0.0005","12.513","0.0003","15.279","0.0008","112.547","0.005","105.61","0.004","96.533","0.004","1791.74","0.17","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Ru([9]aneS~3~)(cppH)(PTA)][Cl~2~]","","","- C22 H35.5 Cl2.5 N6 O4.75 P Ru S3 -","- C22 H35.5 Cl2.5 N6 O4.75 P Ru S3 -","- C44 H71 Cl5 N12 O9.5 P2 Ru2 S6 -","2","1","","Iengo, E.; Demitri, N.; Balducci, G.; Alessio, E.","An irresolute linker: separation, and structural and spectroscopic characterization of the two linkage isomers of a Ru(ii)-(2-(2'-pyridyl)pyrimidine-4-carboxylic acid) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12160","12163","10.1039/c4dt01282h","","","0.7","Synchrotron","","0.0469","0.0467","","","0.1253","0.1255","","","","","","1.239","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031617","10.877","0.006","11.842","0.0017","12.902","0.003","102.179","0.008","111.389","0.003","91.558","0.003","1502.6","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Ru([9]aneS~3~)(mpp)(PTA)][Cl~2~]","","","- C22 H39 Cl2 N6 O3 P Ru S3 -","- C22 H39 Cl2 N6 O3 P Ru S3 -","- C44 H78 Cl4 N12 O6 P2 Ru2 S6 -","2","1","","Iengo, E.; Demitri, N.; Balducci, G.; Alessio, E.","An irresolute linker: separation, and structural and spectroscopic characterization of the two linkage isomers of a Ru(ii)-(2-(2'-pyridyl)pyrimidine-4-carboxylic acid) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12160","12163","10.1039/c4dt01282h","","","0.7","Synchrotron","","0.0521","0.0464","","","0.1203","0.1242","","","","","","1.049","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031618","37.772","","11.25","","16.318","","90","","108.02","","90","","6593.96","","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H35 F12 N6 P3 Ru S3 -","- C24 H35 F12 N6 P3 Ru S3 -","- C192 H280 F96 N48 P24 Ru8 S24 -","8","1","","Iengo, E.; Demitri, N.; Balducci, G.; Alessio, E.","An irresolute linker: separation, and structural and spectroscopic characterization of the two linkage isomers of a Ru(ii)-(2-(2'-pyridyl)pyrimidine-4-carboxylic acid) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12160","12163","10.1039/c4dt01282h","","","0.7","Synchrotron","","0.0327","0.0327","","","0.0824","0.0824","","","","","","1.205","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031619","11.02","0.002","9.72","0.0019","21.6","0.004","90","","96","0.03","90","","2301","0.8","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C48 H48 Co2 N8 O10 -","- C48 H48 Co2 N8 O10 -","- C96 H96 Co4 N16 O20 -","2","1","","Han, Min-Le; Duan, Ya-Ping; Li, Dong-Sheng; Wang, Hai-Bin; Zhao, Jun; Wang, Yao-Yu","Positional isomeric tunable two Co(ii) 6-connected 3-D frameworks with pentanuclear to binuclear units: structures, ion-exchange and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15450","15456","10.1039/c4dt01086h","","","0.71073","MoKα","","0.0442","0.0375","","","0.0691","0.073","","","","","","1.078","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031620","11.949","0.006","12.429","0.005","16.064","0.007","93.02","0.008","94.659","0.005","101.286","0.006","2326.1","1.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H82 Cl2 Co5 N16 O22 -","- C86 H82 Cl2 Co5 N16 O22 -","- C86 H82 Cl2 Co5 N16 O22 -","1","0.5","","Han, Min-Le; Duan, Ya-Ping; Li, Dong-Sheng; Wang, Hai-Bin; Zhao, Jun; Wang, Yao-Yu","Positional isomeric tunable two Co(ii) 6-connected 3-D frameworks with pentanuclear to binuclear units: structures, ion-exchange and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15450","15456","10.1039/c4dt01086h","","","0.71073","MoKα","","0.0562","0.0499","","","0.1403","0.148","","","","","","1.031","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031621","8.9254","0.0018","9.0881","0.0018","9.652","0.002","110.363","0.004","97.535","0.004","105.761","0.004","684","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","- C24 H24 Cu2 N4 O12 -","2","1","","Ghosh, Pritam; Roychowdhury, Additi; Corbella, Montserrat; Bhaumik, Asim; Mitra, Partha; Mobin, Shaikh M.; Mukherjee, Ayan; Basu, Soumen; Banerjee, Priyabrata","Designed synthesis of CO2-promoted copper(ii) coordination polymers: synthesis, structural and spectroscopic characterization, and studies of versatile functional properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13500","13508","10.1039/c4dt00183d","","","0.71073","MoKα","","0.0377","0.031","","","0.0765","0.0798","","","","","","1.037","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031622","13.4876","0.0014","11.2653","0.0012","8.701","0.0009","90","","93.755","0.002","90","","1319.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cu N4 O4 -","- C12 H12 Cu N4 O4 -","- C48 H48 Cu4 N16 O16 -","4","0.5","","Ghosh, Pritam; Roychowdhury, Additi; Corbella, Montserrat; Bhaumik, Asim; Mitra, Partha; Mobin, Shaikh M.; Mukherjee, Ayan; Basu, Soumen; Banerjee, Priyabrata","Designed synthesis of CO2-promoted copper(ii) coordination polymers: synthesis, structural and spectroscopic characterization, and studies of versatile functional properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13500","13508","10.1039/c4dt00183d","","","0.71073","MoKα","","0.0262","0.0242","","","0.065","0.0661","","","","","","1.119","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031623","22.477","0.004","12.052","0.002","20.103","0.004","90","","102.013","0.005","90","","5326.5","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cl Cu N3 O -","- C20 H20 Cl Cu N3 O -","- C160 H160 Cl8 Cu8 N24 O8 -","8","1","","Ghosh, Pritam; Roychowdhury, Additi; Corbella, Montserrat; Bhaumik, Asim; Mitra, Partha; Mobin, Shaikh M.; Mukherjee, Ayan; Basu, Soumen; Banerjee, Priyabrata","Designed synthesis of CO2-promoted copper(ii) coordination polymers: synthesis, structural and spectroscopic characterization, and studies of versatile functional properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13500","13508","10.1039/c4dt00183d","","","0.71073","MoKα","","0.1069","0.0846","","","0.2239","0.2326","","","","","","1.164","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031624","8.887","0.008","17.728","0.015","18.635","0.016","90","","90.707","0.012","90","","2936","4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 N4 -","- C17 H16 N4 -","- C136 H128 N32 -","8","1","","Ghosh, Pritam; Roychowdhury, Additi; Corbella, Montserrat; Bhaumik, Asim; Mitra, Partha; Mobin, Shaikh M.; Mukherjee, Ayan; Basu, Soumen; Banerjee, Priyabrata","Designed synthesis of CO2-promoted copper(ii) coordination polymers: synthesis, structural and spectroscopic characterization, and studies of versatile functional properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13500","13508","10.1039/c4dt00183d","","","0.71073","MoKα","","0.0671","0.0423","","","0.1128","0.1324","","","","","","0.833","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031625","10.1166","0.001","14.9515","0.0014","26.557","0.003","90","","91.743","0.002","90","","4015.1","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 Cl Cu N2 O4 P2 -","- C46 H38 Cl Cu N2 O4 P2 -","- C184 H152 Cl4 Cu4 N8 O16 P8 -","4","1","","Ghosh, Pritam; Roychowdhury, Additi; Corbella, Montserrat; Bhaumik, Asim; Mitra, Partha; Mobin, Shaikh M.; Mukherjee, Ayan; Basu, Soumen; Banerjee, Priyabrata","Designed synthesis of CO2-promoted copper(ii) coordination polymers: synthesis, structural and spectroscopic characterization, and studies of versatile functional properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13500","13508","10.1039/c4dt00183d","","","0.71073","MoKα","","0.0713","0.0607","","","0.1693","0.1911","","","","","","1.207","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031626","20.86","0.0011","9.7446","0.0004","15.905","0.0006","90","","91.932","0.003","90","","3231.2","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H33 Bi O4 -","- C36 H33 Bi O4 -","- C144 H132 Bi4 O16 -","4","0.5","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Andrews, Philip C.","Stability and toxicity of heteroleptic organometallic Bi(v) complexes towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12904","","10.1039/c4dt00957f","","","0.71073","MoKα","","0.0192","0.0147","","","0.0491","0.0688","","","","","","1.41","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031627","15.413","0.003","9.4312","0.0019","19.92","0.004","90","","91.62","0.03","90","","2894.5","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H29 Bi O6 -","- C34 H29 Bi O6 -","- C136 H116 Bi4 O24 -","4","0.5","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Andrews, Philip C.","Stability and toxicity of heteroleptic organometallic Bi(v) complexes towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12904","","10.1039/c4dt00957f","","","0.71073","synchrotron","","0.0231","0.023","","","0.0563","0.0563","","","","","","1.043","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031628","19.838","0.004","9.645","0.0019","15.899","0.003","90","","90.27","0.03","90","","3042","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H33 Bi O6 -","- C36 H33 Bi O6 -","- C144 H132 Bi4 O24 -","4","0.5","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Andrews, Philip C.","Stability and toxicity of heteroleptic organometallic Bi(v) complexes towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12904","","10.1039/c4dt00957f","","","0.71073","synchrotron","","0.0268","0.0252","","","0.0655","0.0676","","","","","","1.061","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031629","13.4495","0.0007","19.5188","0.0013","21.4053","0.0013","90","","90","","90","","5619.3","0.6","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C32 H23 Bi N2 O8 -","- C32 H23 Bi N2 O8 -","- C256 H184 Bi8 N16 O64 -","8","0.5","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Andrews, Philip C.","Stability and toxicity of heteroleptic organometallic Bi(v) complexes towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12904","","10.1039/c4dt00957f","","","0.71073","MoKα","","0.0223","0.0184","","","0.0389","0.0418","","","","","","0.849","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031630","9.164","0.0018","11.027","0.002","17.058","0.003","103.21","0.03","90.76","0.03","100.9","0.03","1645","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 Bi Cl2 O7 -","- C36 H31 Bi Cl2 O7 -","- C72 H62 Bi2 Cl4 O14 -","2","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Andrews, Philip C.","Stability and toxicity of heteroleptic organometallic Bi(v) complexes towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12904","","10.1039/c4dt00957f","","","0.71073","synchrotron","","0.0232","0.0229","","","0.0551","0.0552","","","","","","1.096","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031631","8.786","0.0018","11.096","0.002","18.289","0.004","103.99","0.03","96.1","0.03","98.63","0.03","1691.5","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H33 Bi Br2 O7 -","- C36 H33 Bi Br2 O7 -","- C72 H66 Bi2 Br4 O14 -","2","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Andrews, Philip C.","Stability and toxicity of heteroleptic organometallic Bi(v) complexes towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12904","","10.1039/c4dt00957f","","","0.71073","synchrotron","","0.0318","0.0305","","","0.0766","0.0774","","","","","","1.068","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031632","11.139","0.002","9.972","0.002","16.079","0.003","90","","96.81","0.03","90","","1773.4","0.6","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C44 H29 Bi F4 O6 -","- C44 H29 Bi F4 O6 -","- C88 H58 Bi2 F8 O12 -","2","0.5","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Andrews, Philip C.","Stability and toxicity of heteroleptic organometallic Bi(v) complexes towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12904","","10.1039/c4dt00957f","","","0.71073","synchrotron","","0.0505","0.0495","","","0.1405","0.1434","","","","","","1.039","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031633","11.18","0.002","12.75","0.003","16.19","0.003","79.78","0.03","71.76","0.03","84.42","0.03","2154.9","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H41 Bi Cl2 N2 O5 S -","- C48 H41 Bi Cl2 N2 O5 S -","- C96 H82 Bi2 Cl4 N4 O10 S2 -","2","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Andrews, Philip C.","Stability and toxicity of heteroleptic organometallic Bi(v) complexes towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12904","","10.1039/c4dt00957f","","","0.71073","synchrotron","","0.1098","0.0542","","","0.1411","0.1772","","","","","","1.032","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031634","14.6799","0.0003","19.1828","0.0004","22.7309","0.0005","103.457","0.002","106.027","0.002","104.881","0.002","5619.3","0.2","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C168 H232 Cl4 Mo8 N38 O44 Pd2 Ru2 -","- C150.612 H120 Cl4 Mo8 N30.204 O38.204 Pd2 Ru2 -","- C150.612 H120 Cl4 Mo8 N30.204 O38.204 Pd2 Ru2 -","1","0.5","","Pfeffer, Michael G.; Pehlken, Christian; Staehle, Robert; Sorsche, Dieter; Streb, Carsten; Rau, Sven","Supramolecular activation of a molecular photocatalyst.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13307","13315","10.1039/c4dt00761a","","x-ray","0.71073","MoKα","","0.0748","0.0447","","","0.1212","0.1266","","","","","","0.956","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031635","24.259","0.002","17.5767","0.001","11.3099","0.0009","90","","101.031","0.006","90","","4733.4","0.6","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C78 H83 Cl4 Mn4 N19 O24 -","- C78 H83 Cl4 Mn4 N19 O24 -","- C156 H166 Cl8 Mn8 N38 O48 -","2","0.5","","Deville, Claire; Granelli, Matteo; Downward, Alan M.; Besnard, Céline; Guenée, Laure; Williams, Alan F.","Helicity inversion and redox chemistry of chiral manganese(ii) cubanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12917","","10.1039/c4dt01590h","","","0.71073","MoKα","","0.0744","0.0672","","","0.1839","0.1894","","","","","","1.239","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031636","28.4101","0.0007","16.1505","0.0004","27.3141","0.0007","90","","107.76","0.003","90","","11935.5","0.6","180","","180","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C122 H114 Mn4 N16 O17 P4 -","- C116 H96 Mn4 N16 O14 P4 -","- C464 H384 Mn16 N64 O56 P16 -","4","0.5","","Deville, Claire; Granelli, Matteo; Downward, Alan M.; Besnard, Céline; Guenée, Laure; Williams, Alan F.","Helicity inversion and redox chemistry of chiral manganese(ii) cubanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12917","","10.1039/c4dt01590h","","","1.5418","CuKα","","0.0851","0.0731","","","0.2186","0.2335","","","","","","1.086","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031637","14.444","0.002","23.205","0.003","14.665","0.002","90","","101.418","0.002","90","","4818","1.1","180","2","180.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H89.4 Cl2 Mn4 N16 O16.7 P2 -","- C96 H88 Cl2 Mn4 N16 O16.7 P2 -","- C192 H176 Cl4 Mn8 N32 O33.4 P4 -","2","1","","Deville, Claire; Granelli, Matteo; Downward, Alan M.; Besnard, Céline; Guenée, Laure; Williams, Alan F.","Helicity inversion and redox chemistry of chiral manganese(ii) cubanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12917","","10.1039/c4dt01590h","","","1.5418","CuKα","","0.0638","0.0504","","","0.1199","0.1283","","","","","","1.001","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031638","21.61754","0.00011","21.61754","0.00011","19.15394","0.00011","90","","90","","120","","7751.78","0.07","179.95","0.1","179.95","0.1","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C92 H80 Cl2 Mn4 N16 O16 P2 -","- C92 H80 Cl2 Mn4 N16 O16 P2 -","- C276 H240 Cl6 Mn12 N48 O48 P6 -","3","0.5","","Deville, Claire; Granelli, Matteo; Downward, Alan M.; Besnard, Céline; Guenée, Laure; Williams, Alan F.","Helicity inversion and redox chemistry of chiral manganese(ii) cubanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12917","","10.1039/c4dt01590h","","","1.5418","CuKα","","0.0302","0.029","","","0.0814","0.0826","","","","","","1.061","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031639","17.66452","0.00013","17.98233","0.00019","29.4766","0.0003","90","","90","","90","","9363.22","0.15","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C86 H76 Cl10 Mn4 N18 O20 -","- C86 H76 Cl10 Mn4 N18 O20 -","- C344 H304 Cl40 Mn16 N72 O80 -","4","1","","Deville, Claire; Granelli, Matteo; Downward, Alan M.; Besnard, Céline; Guenée, Laure; Williams, Alan F.","Helicity inversion and redox chemistry of chiral manganese(ii) cubanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12917","","10.1039/c4dt01590h","","","1.5418","CuKα","","0.0488","0.0441","","","0.1173","0.1219","","","","","","1.043","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031640","8.3343","0.0017","8.4636","0.0017","18.908","0.004","90","","98.09","0.03","90","","1320.5","0.5","292","2","292","2","","","","","","","Synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O -","- C14 H20 N2 O -","- C56 H80 N8 O4 -","4","1","","Kumar, Amit; Pandey, Rampal; Gupta, Rakesh Kumar; Dubey, Mrigendra; Pandey, Daya Shankar","Novel tetranuclear copper |2 + 4| cubanes resulting from unprecedented C-O bond formation cum dearomatization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13169","13173","10.1039/c4dt01887g","","x-ray","0.71073","MoKα","","0.1032","0.0578","","","0.1712","0.21","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031641","17.4716","0.0004","9.8593","0.0002","19.5176","0.0005","90","","90.257","0.001","90","","3362.02","0.13","293","2","292","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C56 H80 Cu4 N12 O22 -","- C56 H80 Cu4 N12 O22 -","- C112 H160 Cu8 N24 O44 -","2","0.5","","Kumar, Amit; Pandey, Rampal; Gupta, Rakesh Kumar; Dubey, Mrigendra; Pandey, Daya Shankar","Novel tetranuclear copper |2 + 4| cubanes resulting from unprecedented C-O bond formation cum dearomatization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13169","13173","10.1039/c4dt01887g","","","0.71073","MoKα","","0.0819","0.0507","","","0.138","0.1621","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031642","17.4218","0.0004","9.869","0.0002","19.5378","0.0005","90","","90.29","0.001","90","","3359.2","0.13","293","2","292","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C56 H80 Cu4 N12 O22 -","- C56 H80 Cu4 N12 O22 -","- C112 H160 Cu8 N24 O44 -","2","0.5","","Kumar, Amit; Pandey, Rampal; Gupta, Rakesh Kumar; Dubey, Mrigendra; Pandey, Daya Shankar","Novel tetranuclear copper |2 + 4| cubanes resulting from unprecedented C-O bond formation cum dearomatization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13169","13173","10.1039/c4dt01887g","","","0.71073","MoKα","","0.0826","0.0515","","","0.1393","0.1631","","","","","","1.047","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031643","13.5908","0.0003","11.6711","0.0003","17.6727","0.0003","90","","98.023","0.002","90","","2775.8","0.11","292","2","292","2","","","","","","","Synthesized","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H38 Cu N4 O2 -","- C28 H38 Cu N4 O2 -","- C112 H152 Cu4 N16 O8 -","4","0.5","","Kumar, Amit; Pandey, Rampal; Gupta, Rakesh Kumar; Dubey, Mrigendra; Pandey, Daya Shankar","Novel tetranuclear copper |2 + 4| cubanes resulting from unprecedented C-O bond formation cum dearomatization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13169","13173","10.1039/c4dt01887g","","x-ray","0.71073","MoKα","","0.0774","0.0577","","","0.1617","0.1755","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031644","25.6867","0.0006","9.5991","0.0002","25.3877","0.0007","90","","103.991","0.002","90","","6074.1","0.3","292","2","292","2","","","","","","","Synthesized","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H72 Cu4 N8 O12 -","- C56 H72 Cu4 N8 O12 -","- C224 H288 Cu16 N32 O48 -","4","0.5","","Kumar, Amit; Pandey, Rampal; Gupta, Rakesh Kumar; Dubey, Mrigendra; Pandey, Daya Shankar","Novel tetranuclear copper |2 + 4| cubanes resulting from unprecedented C-O bond formation cum dearomatization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13169","13173","10.1039/c4dt01887g","","x-ray","0.71073","MoKα","","0.0738","0.0444","","","0.1106","0.129","","","","","","1.052","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031645","17.4957","0.0008","9.8364","0.0004","19.5011","0.0009","90","","90.248","0.003","90","","3356","0.3","292","2","292","2","","","","","","","Synthesized","5","P 1 2/n 1","-P 2yac","13","","","","- C56 H80 Cu4 N12 O22 -","- C56 H80 Cu4 N12 O22 -","- C112 H160 Cu8 N24 O44 -","2","0.5","","Kumar, Amit; Pandey, Rampal; Gupta, Rakesh Kumar; Dubey, Mrigendra; Pandey, Daya Shankar","Novel tetranuclear copper |2 + 4| cubanes resulting from unprecedented C-O bond formation cum dearomatization.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13169","13173","10.1039/c4dt01887g","","x-ray","0.71073","MoKα","","0.0882","0.0523","","","0.1428","0.1681","","","","","","1.037","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031646","10.0658","0.0007","15.372","0.001","11.0263","0.0008","90","","92.765","0.001","90","","1704.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 Br2 N4 Ni2 O8 -","- C35 H30 Br2 N4 Ni2 O8 -","- C70 H60 Br4 N8 Ni4 O16 -","2","0.5","","An, Bing; Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin","Cation-size-controlled assembly of the Ni(Ac)2-1,4-H2NDC system: geminal dicationic ionothermal syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12828","","10.1039/c4dt00987h","","","0.71073","MoKα","","0.0774","0.05","","","0.1278","0.1389","","","","","","1.072","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031647","10.0037","0.0005","15.4731","0.0008","11.1313","0.0006","90","","92.14","0.001","90","","1721.79","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br N2 Ni O4 -","- C18 H16 Br N2 Ni O4 -","- C72 H64 Br4 N8 Ni4 O16 -","4","1","","An, Bing; Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin","Cation-size-controlled assembly of the Ni(Ac)2-1,4-H2NDC system: geminal dicationic ionothermal syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12828","","10.1039/c4dt00987h","","","0.71073","MoKα","","0.0521","0.0382","","","0.0956","0.1004","","","","","","1.064","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031648","15.1746","0.0009","15.6375","0.001","15.6079","0.001","90","","117.797","0.001","90","","3276.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H66 N8 Ni3 O18 -","- C72 H66 N8 Ni3 O18 -","- C144 H132 N16 Ni6 O36 -","2","0.5","","An, Bing; Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin","Cation-size-controlled assembly of the Ni(Ac)2-1,4-H2NDC system: geminal dicationic ionothermal syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12828","","10.1039/c4dt00987h","","","0.71073","MoKα","","0.0742","0.0456","","","0.0966","0.1058","","","","","","1.052","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031649","15.2845","0.0012","14.8122","0.0012","16.9361","0.0017","90","","117.943","0.001","90","","3387.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H70 N8 Ni3 O18 -","- C74 H70 N8 Ni3 O18 -","- C148 H140 N16 Ni6 O36 -","2","0.5","","An, Bing; Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin","Cation-size-controlled assembly of the Ni(Ac)2-1,4-H2NDC system: geminal dicationic ionothermal syntheses, crystal structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12828","","10.1039/c4dt00987h","","","0.71073","MoKα","","0.0955","0.0489","","","0.0872","0.0976","","","","","","1.036","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031650","19.2204","0.0003","9.906","0.0002","20.6933","0.0004","90","","117.627","0.001","90","","3490.74","0.12","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","[RuCl(NO)2(PPh3)2]BF4","","","- C36 H30 B Cl F4 N2 O2 P2 Ru -","- C36 H30 B Cl F4 N2 O2 P2 Ru -","- C144 H120 B4 Cl4 F16 N8 O8 P8 Ru4 -","4","1","","Gallien, Anna K. E.; Schaniel, Dominik; Woike, Theo; Klüfers, Peter","NO-binding in {Ru(NO)2}(8)-type [Ru(NO)2(PR3)2X]BF4 compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13278","13292","10.1039/c4dt01506a","","","0.71073","MoKα","","0.0552","0.0347","","","0.0726","0.0809","","","","","","1.045","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031651","8.0664","0.0006","12.7931","0.0009","14.3849","0.0011","114.416","0.004","91.746","0.005","91.295","0.005","1350.05","0.18","100","2","100","2","","","","","","","","9","P -1","-P 1","2","[RuCl(NO)2(PiPr3)2]BF4","","","- C18 H42 B Cl F4 N2 O2 P2 Ru -","- C18 H42 B Cl F4 N2 O2 P2 Ru -","- C36 H84 B2 Cl2 F8 N4 O4 P4 Ru2 -","2","1","","Gallien, Anna K. E.; Schaniel, Dominik; Woike, Theo; Klüfers, Peter","NO-binding in {Ru(NO)2}(8)-type [Ru(NO)2(PR3)2X]BF4 compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13278","13292","10.1039/c4dt01506a","","","0.71073","MoKα","","0.1002","0.0724","","","0.1837","0.2042","","","","","","1.059","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031652","19.2932","0.0003","9.9662","0.0001","20.7107","0.0003","90","","116.937","0.001","90","","3550.2","0.09","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","[RuBr(NO)2(PPh3)2]BF4","","","- C36 H30 B Br F4 N2 O2 P2 Ru -","- C36 H30 B Br F4 N2 O2 P2 Ru -","- C144 H120 B4 Br4 F16 N8 O8 P8 Ru4 -","4","1","","Gallien, Anna K. E.; Schaniel, Dominik; Woike, Theo; Klüfers, Peter","NO-binding in {Ru(NO)2}(8)-type [Ru(NO)2(PR3)2X]BF4 compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13278","13292","10.1039/c4dt01506a","","","0.71073","MoKα","","0.0453","0.0303","","","0.0684","0.0745","","","","","","1.013","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031653","13.1175","0.0002","20.7878","0.0003","13.6911","0.0002","90","","92.194","0.001","90","","3730.61","0.1","173","2","173","2","","","","","","","Synthese","9","P 1 21/n 1","-P 2yn","14","[RuBr(NO)2(PPh2Bn)2]BF4","","","- C38 H34 B Br F4 N2 O2 P2 Ru -","- C38 H34 B Br F4 N2 O2 P2 Ru -","- C152 H136 B4 Br4 F16 N8 O8 P8 Ru4 -","4","1","","Gallien, Anna K. E.; Schaniel, Dominik; Woike, Theo; Klüfers, Peter","NO-binding in {Ru(NO)2}(8)-type [Ru(NO)2(PR3)2X]BF4 compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13278","13292","10.1039/c4dt01506a","","","0.71073","MoKα","","0.0679","0.0447","","","0.1048","0.1163","","","","","","1.037","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031654","12.9469","0.0004","20.7987","0.0006","13.6465","0.0004","90","","91.274","0.003","90","","3673.8","0.19","103","2","103","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","[RuCl(NO)2(PPh2Bn)2]BF4","","","- C38 H34 B Cl F4 N2 O2 P2 Ru -","- C38 H34 B Cl F4 N2 O2 P2 Ru -","- C152 H136 B4 Cl4 F16 N8 O8 P8 Ru4 -","4","1","","Gallien, Anna K. E.; Schaniel, Dominik; Woike, Theo; Klüfers, Peter","NO-binding in {Ru(NO)2}(8)-type [Ru(NO)2(PR3)2X]BF4 compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13278","13292","10.1039/c4dt01506a","","","0.71073","MoKα","","0.0516","0.0384","","","0.0908","0.1009","","","","","","1.06","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031655","10.8145","0.0007","12.3066","0.0009","13.8538","0.0009","104.889","0.006","91.394","0.005","108.105","0.006","1682.7","0.2","113","2","113","2","","","","","","","","9","P -1","-P 1","2","[RuBr(NO)2(PCyp3)2]BF4","","","- C30 H54 B Br F4 N2 O2 P2 Ru -","- C30 H54 B Br F4 N2 O2 P2 Ru -","- C60 H108 B2 Br2 F8 N4 O4 P4 Ru2 -","2","1","","Gallien, Anna K. E.; Schaniel, Dominik; Woike, Theo; Klüfers, Peter","NO-binding in {Ru(NO)2}(8)-type [Ru(NO)2(PR3)2X]BF4 compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13278","13292","10.1039/c4dt01506a","","","0.71073","MoKα","","0.0543","0.0388","","","0.0715","0.0816","","","","","","1.06","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031656","12.664","0.006","19.479","0.009","14.921","0.007","90","","111.23","0.02","90","","3431","3","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","[RuCl(NO)2(PCyp3)2]BF4","","","- C30 H54 B Cl F4 N2 O2 P2 Ru -","- C30 H54 B Cl F4 N2 O2 P2 Ru -","- C120 H216 B4 Cl4 F16 N8 O8 P8 Ru4 -","4","1","","Gallien, Anna K. E.; Schaniel, Dominik; Woike, Theo; Klüfers, Peter","NO-binding in {Ru(NO)2}(8)-type [Ru(NO)2(PR3)2X]BF4 compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13278","13292","10.1039/c4dt01506a","","","0.71073","MoKα","","0.1217","0.057","","","0.1155","0.1413","","","","","","1.02","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031657","10.4351","0.0003","12.4604","0.0004","14.3846","0.0004","105.923","0.0012","90.808","0.0013","106.695","0.0013","1714","0.09","200","2","200","2","","","","","","","","9","P -1","-P 1","2","[RuI(NO)2(PCyp3)2]BF4","","","- C30 H54 B F4 I N2 O2 P2 Ru -","- C30 H54 B F4 I N2 O2 P2 Ru -","- C60 H108 B2 F8 I2 N4 O4 P4 Ru2 -","2","1","","Gallien, Anna K. E.; Schaniel, Dominik; Woike, Theo; Klüfers, Peter","NO-binding in {Ru(NO)2}(8)-type [Ru(NO)2(PR3)2X]BF4 compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13278","13292","10.1039/c4dt01506a","","","0.71073","MoKα","","0.06","0.0474","","","0.1136","0.1229","","","","","","1.05","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031658","25.5181","0.0009","15.9734","0.0006","14.3915","0.0005","90","","115.204","0.002","90","","5307.7","0.3","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","[RuBr(NO)2(PiPr3)2]BF4","","","- C18 H42 B Br F4 N2 O2 P2 Ru -","- C18 H42 B Br F4 N2 O2.004 P2 Ru -","- C144 H336 B8 Br8 F32 N16 O16.032 P16 Ru8 -","8","1","","Gallien, Anna K. E.; Schaniel, Dominik; Woike, Theo; Klüfers, Peter","NO-binding in {Ru(NO)2}(8)-type [Ru(NO)2(PR3)2X]BF4 compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13278","13292","10.1039/c4dt01506a","","","0.71073","MoKα","","0.0555","0.0393","","","0.0878","0.0949","","","","","","1.046","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031659","10.1237","0.0003","13.1351","0.0004","16.2864","0.0004","80.785","0.001","85.125","0.001","68.746","0.001","1991.49","0.1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","[RuCl(NO)2(PCy3)2]BF4","","","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C72 H132 B2 Cl2 F8 N4 O4 P4 Ru2 -","2","1","","Gallien, Anna K. E.; Schaniel, Dominik; Woike, Theo; Klüfers, Peter","NO-binding in {Ru(NO)2}(8)-type [Ru(NO)2(PR3)2X]BF4 compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13278","13292","10.1039/c4dt01506a","","","0.71073","MoKα","","0.0608","0.0431","","","0.1021","0.1106","","","","","","1.042","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031660","14.3483","0.0008","12.5016","0.0007","19.4893","0.0012","90","","106.688","0.002","90","","3348.7","0.3","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","[RuCl(NO)2(PCyp3)2]BF4","","","- C30 H54 B Cl F4 N2 O2 P2 Ru -","- C30 H54 B Cl F4 N2 O2 P2 Ru -","- C120 H216 B4 Cl4 F16 N8 O8 P8 Ru4 -","4","1","","Gallien, Anna K. E.; Schaniel, Dominik; Woike, Theo; Klüfers, Peter","NO-binding in {Ru(NO)2}(8)-type [Ru(NO)2(PR3)2X]BF4 compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13278","13292","10.1039/c4dt01506a","","","0.71073","MoKα","","0.0567","0.0415","","","0.0985","0.1059","","","","","","1.052","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031661","29.645","0.003","14.4732","0.0009","20.678","0.003","90","","90","","90","","8872.1","1.7","173","2","173","2","","","","","","","","9","P c a 21","P 2c -2ac","29","[RuI(NO)2(PCy3)2]BF4","","","- C36 H66 B F4 I N2 O2 P2 Ru -","- C36 H66 B F4 I N2 O2 P2 Ru -","- C288 H528 B8 F32 I8 N16 O16 P16 Ru8 -","8","2","","Gallien, Anna K. E.; Schaniel, Dominik; Woike, Theo; Klüfers, Peter","NO-binding in {Ru(NO)2}(8)-type [Ru(NO)2(PR3)2X]BF4 compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13278","13292","10.1039/c4dt01506a","","","0.71073","MoKα","","0.0684","0.0557","","","0.1532","0.1667","","","","","","1.062","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031662","10.152","0.004","13.095","0.005","18.857","0.007","95.262","0.014","102.251","0.018","109.874","0.019","2267","1.6","293","2","293","2","","","","","","","","9","P -1","-P 1","2","[RuBr(NO)2(PCy3)2]BF4_EtOH_0.5(H2O)","","","- C38 H73 B Br F4 N2 O3.5 P2 Ru -","- C38 H72 B Br F4 N2 O3.5 P2 Ru -","- C76 H144 B2 Br2 F8 N4 O7 P4 Ru2 -","2","1","","Gallien, Anna K. E.; Schaniel, Dominik; Woike, Theo; Klüfers, Peter","NO-binding in {Ru(NO)2}(8)-type [Ru(NO)2(PR3)2X]BF4 compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13278","13292","10.1039/c4dt01506a","","","0.71073","MoKα","","0.0977","0.0656","","","0.1685","0.1868","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031663","13.688","0.008","13.19","0.007","23.337","0.013","90","","96.326","0.009","90","","4188","4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 Cu N10 O3 S2 -","- C40 H44 Cu N10 O3 S2 -","- C160 H176 Cu4 N40 O12 S8 -","4","1","","Koike, Shiori; Hirakawa, Takeshi; Yamanishi, Katsunori; Kondo, Mitsuru","Two new coordination polymers, a trinuclear metal complex and their interconversion depending on the solvent.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12832","","10.1039/c4dt01644k","","","0.7107","MoKα","","","0.0873","","","","0.1715","","","","","","1.016","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031664","33.693","0.003","15.1759","0.0016","15.8193","0.0014","90","","92.281","0.004","90","","8082.3","1.3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H88 Cu3 N22 S6 -","- C78 H88 Cu3 N22 S6 -","- C312 H352 Cu12 N88 S24 -","4","0.5","","Koike, Shiori; Hirakawa, Takeshi; Yamanishi, Katsunori; Kondo, Mitsuru","Two new coordination polymers, a trinuclear metal complex and their interconversion depending on the solvent.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12832","","10.1039/c4dt01644k","","","0.7107","MoKa","","","0.0687","","","","0.1271","","","","","","1.019","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031665","8.933","0.007","9.721","0.008","9.751","0.009","98.566","0.008","102.233","0.014","93.892","0.014","814","1.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Cu N6 O2 S2 -","- C24 H30 Cu N6 O2 S2 -","- C24 H30 Cu N6 O2 S2 -","1","0.5","","Koike, Shiori; Hirakawa, Takeshi; Yamanishi, Katsunori; Kondo, Mitsuru","Two new coordination polymers, a trinuclear metal complex and their interconversion depending on the solvent.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12832","","10.1039/c4dt01644k","","","0.7107","MoKa","","","0.0729","","","","0.1636","","","","","","1.011","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031666","10.315","0.001","13.914","0.001","15.143","0.001","100.336","0.001","91.375","0.001","95.391","0.001","2126.8","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H43 Br Cu N3 P2 -","- C49 H43 Br Cu N3 P2 -","- C98 H86 Br2 Cu2 N6 P4 -","2","1","","Cheisson, Thibault; Auffrant, Audrey","Versatile coordination chemistry of a bis(methyliminophosphoranyl)pyridine ligand on copper centres.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13399","13409","10.1039/c4dt01794c","","","0.71069","MoKα","","0.0649","0.0491","","","0.1037","0.1146","","","","","","1.068","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031667","12.216","0.001","13.441","0.001","27.368","0.001","97.35","0.001","95.16","0.001","116.043","0.001","3950.1","0.5","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H74 Cu2 F12 N6 P6 -","- C86 H74 Cu2 F12 N6 P6 -","- C172 H148 Cu4 F24 N12 P12 -","2","1","","Cheisson, Thibault; Auffrant, Audrey","Versatile coordination chemistry of a bis(methyliminophosphoranyl)pyridine ligand on copper centres.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13399","13409","10.1039/c4dt01794c","","","0.71069","MoKα","","0.0484","0.0362","","","0.0879","0.0948","","","","","","1.024","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031668","10.981","0.001","14.582","0.001","16.352","0.001","70.16","0.001","71.273","0.001","77.074","0.001","2313.1","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H52 Cu F6 N3 P4 -","- C49 H52 Cu F6 N3 P4 -","- C98 H104 Cu2 F12 N6 P8 -","2","1","","Cheisson, Thibault; Auffrant, Audrey","Versatile coordination chemistry of a bis(methyliminophosphoranyl)pyridine ligand on copper centres.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13399","13409","10.1039/c4dt01794c","","","0.71069","MoKα","","0.0902","0.0664","","","0.1224","0.1369","","","","","","1.107","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031669","11.03","0.001","26.032","0.001","18.0004","0.001","90","","121.879","0.003","90","","4388.9","0.5","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 Br2 Cl2 Cu N3 P2 -","- C43 H37 Br2 Cu N3 P2 -","- C172 H148 Br8 Cu4 N12 P8 -","4","1","","Cheisson, Thibault; Auffrant, Audrey","Versatile coordination chemistry of a bis(methyliminophosphoranyl)pyridine ligand on copper centres.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13399","13409","10.1039/c4dt01794c","","","0.71069","MoKα","","0.0719","0.0517","","","0.1093","0.1191","","","","","","1.038","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031670","21.754","0.001","21.836","0.001","10.39","0.001","90","","93.913","0.001","90","","4924","0.6","150","0.1","150","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H40 Ce Cu N9 O15 P2 -","- C45 H40 Ce Cu N9 O15 P2 -","- C180 H160 Ce4 Cu4 N36 O60 P8 -","4","1","","Cheisson, Thibault; Auffrant, Audrey","Versatile coordination chemistry of a bis(methyliminophosphoranyl)pyridine ligand on copper centres.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13399","13409","10.1039/c4dt01794c","","","0.71069","MoKα","","0.088","0.0837","","","0.2137","0.218","","","","","","1.161","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031681","8.7632","0.0013","12.0184","0.0017","13.192","0.0019","84.425","0.006","82.784","0.006","83.648","0.006","1365","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","CGCScCl","","","- C56 H78 Cl2 N2 O2 Sc2 Si2 -","- C56 H78 Cl2 N2 O2 Sc2 Si2 -","- C56 H78 Cl2 N2 O2 Sc2 Si2 -","1","0.5","","Wang, Baoli; Nishiura, Masayoshi; Cheng, Jianhua; Hou, Zhaomin","Half-sandwich scandium boryl complexes bearing a silylene-linked cyclopentadienyl-amido ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14215","14218","10.1039/c4dt01725k","","","0.71073","MoKα","","0.0724","0.0461","","","0.1058","0.1167","","","","","","1.038","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031682","13.004","0.003","23.237","0.005","19.598","0.004","90","","100.167","0.005","90","","5829","2","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","ScBorylLiCl","","","- C58 H86 B Cl Li N3 O3 Sc Si -","- C58 H86 B Cl Li N3 O3 Sc Si -","- C232 H344 B4 Cl4 Li4 N12 O12 Sc4 Si4 -","4","1","","Wang, Baoli; Nishiura, Masayoshi; Cheng, Jianhua; Hou, Zhaomin","Half-sandwich scandium boryl complexes bearing a silylene-linked cyclopentadienyl-amido ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14215","14218","10.1039/c4dt01725k","","","0.71073","MoKα","","0.122","0.0592","","","0.1363","0.1632","","","","","","1","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031683","10.621","0.004","13.697","0.004","17.546","0.006","95.341","0.008","93.924","0.007","107.176","0.007","2415.7","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","CGCScNCNB","","","- C50 H76 B N5 Sc Si -","- C50 H76 B N5 Sc Si -","- C100 H152 B2 N10 Sc2 Si2 -","2","1","","Wang, Baoli; Nishiura, Masayoshi; Cheng, Jianhua; Hou, Zhaomin","Half-sandwich scandium boryl complexes bearing a silylene-linked cyclopentadienyl-amido ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14215","14218","10.1039/c4dt01725k","","","0.71073","MoKα","","0.1603","0.0716","","","0.1472","0.1817","","","","","","0.953","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031684","12.343","0.005","25.971","0.011","14.894","0.006","90","","95.775","0.008","90","","4750","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","CGCSc2NO","","","- C47 H67 B N5 O3 Sc Si -","- C47 H67 B N5 O3 Sc Si -","- C188 H268 B4 N20 O12 Sc4 Si4 -","4","1","","Wang, Baoli; Nishiura, Masayoshi; Cheng, Jianhua; Hou, Zhaomin","Half-sandwich scandium boryl complexes bearing a silylene-linked cyclopentadienyl-amido ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14215","14218","10.1039/c4dt01725k","","","0.71073","MoKα","","0.0673","0.0447","","","0.1089","0.1203","","","","","","1.027","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031685","12.3886","0.0014","17.623","0.002","17.974","0.002","66.157","0.002","85.712","0.002","76.132","0.002","3483.6","0.7","173","2","173.15","","","","","","","","","9","P -1","-P 1","2","","","","- C65 H105 B Cl Li N3 O8 Sc Si -","- C65 H101.5 B Cl Li N3 O8 Sc Si -","- C130 H203 B2 Cl2 Li2 N6 O16 Sc2 Si2 -","2","1","","Wang, Baoli; Nishiura, Masayoshi; Cheng, Jianhua; Hou, Zhaomin","Half-sandwich scandium boryl complexes bearing a silylene-linked cyclopentadienyl-amido ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14215","14218","10.1039/c4dt01725k","","","0.71073","MoKα","","0.141","0.0949","","","0.2712","0.3139","","","","","","1.063","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031686","9.3355","0.0002","12.8329","0.0003","15.7966","0.0003","83.092","0.0013","89.0734","0.0015","85.1892","0.0011","1872.06","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H16 B N12 Na O3 S3 -","- C6 H16 B N12 Na O3 S3 -","- C24 H64 B4 N48 Na4 O12 S12 -","4","2","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Boron-centered soft ligands based on tetrazole units and their complexes with sodium, potassium and bismuth ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14737","14748","10.1039/c4dt01931h","","","0.71073","MoKα","","0.0611","0.0399","","","0.0959","0.1057","","","","","","1.03","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7031687","8.8211","0.0001","16.1067","0.0001","12.8346","0.0001","90","","103.123","0.0006","90","","1775.9","0.03","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 B K N12 O2 S3 -","- C6 H14 B K N12 O2 S3 -","- C24 H56 B4 K4 N48 O8 S12 -","4","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Boron-centered soft ligands based on tetrazole units and their complexes with sodium, potassium and bismuth ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14737","14748","10.1039/c4dt01931h","","","0.71073","MoKα","","0.0301","0.0248","","","0.0634","0.0659","","","","","","1.036","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031688","7.23114","0.00012","17.5695","0.0003","8.6083","0.00015","90","","90","","90","","1093.66","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H8 B K N8 S2 -","- C4 H8 B K N8 S2 -","- C16 H32 B4 K4 N32 S8 -","4","0.5","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Boron-centered soft ligands based on tetrazole units and their complexes with sodium, potassium and bismuth ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14737","14748","10.1039/c4dt01931h","","","0.7107","MoKα","","0.027","0.0264","","","0.0586","0.0588","","","","","","1.208","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031689","7.1466","0.0002","6.1686","0.0002","43.2407","0.0011","90","","92.392","0.001","90","","1904.58","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B N8 Na O2 S2 -","- C14 H16 B N8 Na O2 S2 -","- C56 H64 B4 N32 Na4 O8 S8 -","4","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Boron-centered soft ligands based on tetrazole units and their complexes with sodium, potassium and bismuth ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14737","14748","10.1039/c4dt01931h","","","1.54178","CuKα","","0.0508","0.0507","","","0.1154","0.1155","","","","","","1.286","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031690","16.5137","0.0003","11.80455","0.00011","19.3087","0.0002","90","","104.413","0.0014","90","","3645.5","0.09","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 B2 Bi N24 O2 S6 -","- C14 H23 B2 Bi N24 O2 S6 -","- C56 H92 B8 Bi4 N96 O8 S24 -","4","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Boron-centered soft ligands based on tetrazole units and their complexes with sodium, potassium and bismuth ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14737","14748","10.1039/c4dt01931h","","","0.7107","MoKα","","0.0372","0.0311","","","0.0802","0.0829","","","","","","1.053","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031691","23.6264","0.0003","6.72789","0.00005","24.3264","0.0002","90","","95.951","0.0008","90","","3845.98","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Bi2 N16 O0.5 S4 -","- C28 H20 Bi2 N16 S4 -","- C112 H80 Bi8 N64 S16 -","4","0.5","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Boron-centered soft ligands based on tetrazole units and their complexes with sodium, potassium and bismuth ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14737","14748","10.1039/c4dt01931h","","","0.7107","MoKα","","0.0246","0.0232","","","0.0598","0.0604","","","","","","1.191","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031692","7.07185","0.00017","11.5039","0.0004","13.7591","0.0005","67.741","0.003","89.501","0.002","78.825","0.002","1013.72","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Bi2 N18 S4 -","- C32 H26 Bi2 N18 S4 -","- C32 H26 Bi2 N18 S4 -","1","0.5","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Boron-centered soft ligands based on tetrazole units and their complexes with sodium, potassium and bismuth ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14737","14748","10.1039/c4dt01931h","","","0.7107","MoKα","","0.0278","0.026","","","0.0647","0.0656","","","","","","1.158","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031693","24.0122","0.0006","24.0122","0.0006","7.8167","0.0002","90","","90","","120","","3903.17","0.17","100","","100","","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","","","- C21 H15 Bi N12 S3 -","- C21 H15 Bi N12 S3 -","- C126 H90 Bi6 N72 S18 -","6","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Boron-centered soft ligands based on tetrazole units and their complexes with sodium, potassium and bismuth ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14737","14748","10.1039/c4dt01931h","","","1.54178","CuKα","","0.0185","0.0176","","","0.0478","0.0484","","","","","","1.215","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031694","13.3901","0.0003","20.2174","0.0004","18.9053","0.0005","90","","92.532","0.002","90","","5112.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H74 N10 Ni2 O12 -","- C46 H72.33 N10 Ni2 O12 -","- C184 H289.32 N40 Ni8 O48 -","4","1","","Botana, Luis; Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Seco, José M; Oyarzabal, Itziar; Colacio, Enrique","Anion controlled structural and magnetic diversity in unusual mixed-bridged polynuclear Ni(II) complexes with a versatile bis(2-methoxy phenol)diamine hexadentate ligand. An experimental and theoretical magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13509","13524","10.1039/c4dt01253d","","","0.71073","MoKα","","0.0763","0.0436","","","0.0954","0.1001","","","","","","0.908","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031695","39.938","0.007","19.592","0.003","13.763","0.002","90","","109.256","0.002","90","","10167","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C93 H142 N20 Na2 Ni4 O21 -","- C89 H126 N20 Na2 Ni4 O17 -","- C356 H504 N80 Na8 Ni16 O68 -","4","0.5","","Botana, Luis; Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Seco, José M; Oyarzabal, Itziar; Colacio, Enrique","Anion controlled structural and magnetic diversity in unusual mixed-bridged polynuclear Ni(II) complexes with a versatile bis(2-methoxy phenol)diamine hexadentate ligand. An experimental and theoretical magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13509","13524","10.1039/c4dt01253d","","","0.71069","MoKα","","0.0509","0.0415","","","0.1095","0.1147","","","","","","1.07","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031696","11.0288","0.0014","11.4646","0.0015","13.467","0.003","112.64","0.002","108.893","0.002","97.485","0.002","1422.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H76 N16 Ni4 O12 -","- C46 H68 N16 Ni4 O10 -","- C46 H68 N16 Ni4 O10 -","1","0.5","","Botana, Luis; Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Seco, José M; Oyarzabal, Itziar; Colacio, Enrique","Anion controlled structural and magnetic diversity in unusual mixed-bridged polynuclear Ni(II) complexes with a versatile bis(2-methoxy phenol)diamine hexadentate ligand. An experimental and theoretical magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13509","13524","10.1039/c4dt01253d","","","0.71073","MoKα","","0.0962","0.0566","","","0.1208","0.1346","","","","","","0.943","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031697","11.4753","0.0007","11.5055","0.0009","14.3852","0.0015","72.546","0.008","86.577","0.007","80.135","0.006","1785","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H90 N16 Na2 Ni4 O18 -","- C52 H82 N16 Na2 Ni4 O16 -","- C52 H82 N16 Na2 Ni4 O16 -","1","0.5","","Botana, Luis; Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Seco, José M; Oyarzabal, Itziar; Colacio, Enrique","Anion controlled structural and magnetic diversity in unusual mixed-bridged polynuclear Ni(II) complexes with a versatile bis(2-methoxy phenol)diamine hexadentate ligand. An experimental and theoretical magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13509","13524","10.1039/c4dt01253d","","","0.71069","MoKα","","0.0825","0.0701","","","0.1995","0.2115","","","","","","1.066","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031698","10.6316","0.0013","20.125","0.003","12.1235","0.0015","90","","113.762","0.009","90","","2374.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cl4 N4 Ni4 O8 -","- C44 H57.608 Cl4 N4 Ni4 O8 -","- C88 H115.216 Cl8 N8 Ni8 O16 -","2","0.5","","Botana, Luis; Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Seco, José M; Oyarzabal, Itziar; Colacio, Enrique","Anion controlled structural and magnetic diversity in unusual mixed-bridged polynuclear Ni(II) complexes with a versatile bis(2-methoxy phenol)diamine hexadentate ligand. An experimental and theoretical magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13509","13524","10.1039/c4dt01253d","","","0.71073","MoKα","","0.1716","0.0638","","","0.0901","0.1123","","","","","","0.709","","","","has coordinates,has disorder","180022","2020-10-21","18:00:00",""
"7031699","25.3316","0.0014","13.2982","0.0007","20.1791","0.0011","90","","122.993","0.001","90","","5701.4","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H78 N4 Ni3 O14 -","- C54 H78 N4 Ni3 O14 -","- C216 H312 N16 Ni12 O56 -","4","0.5","","Botana, Luis; Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Seco, José M; Oyarzabal, Itziar; Colacio, Enrique","Anion controlled structural and magnetic diversity in unusual mixed-bridged polynuclear Ni(II) complexes with a versatile bis(2-methoxy phenol)diamine hexadentate ligand. An experimental and theoretical magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13509","13524","10.1039/c4dt01253d","","","0.71069","MoKα","","0.0663","0.0446","","","0.0965","0.1093","","","","","","1.007","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031700","8.775","0.003","14.874","0.004","17.153","0.005","65.548","0.013","82.182","0.018","77.872","0.017","1989.5","1.1","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C42.8 H41.7 Co F6 N4 O2.8 P -","- C42.8 H39.5 Co F6 N4 O2.8 P -","- C85.6 H79 Co2 F12 N8 O5.6 P2 -","2","1","","Katayama, Koichi; Hirotsu, Masakazu; Kinoshita, Isamu; Teki, Yoshio","Synthesis, magnetic properties and dynamic behavior of cobalt complexes with an anthracene-containing dioxolene ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13384","13391","10.1039/c4dt01574f","","","0.710747","MoKα","","0.1234","0.0698","","","0.1848","0.2148","","","","","","0.96","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031701","9.277","0.003","17.304","0.006","4.793","0.0017","90","","90","","90","","769.4","0.5","173","2","173","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C0.25 H4.5 Cl0.5 Cu0.5 N1.5 O2.75 -","- C0.25 H5 Cl0.5 Cu0.5 N1.5 O2.75 -","- C2 H40 Cl4 Cu4 N12 O22 -","8","1","","Zhang, Xiao; Nishihara, Sadafumi; Nakano, Yuki; Yoshida, Erina; Kato, Chisato; Ren, Xiao-Ming; Maryunina, Kseniya Yu; Inoue, Katsuya","A magnetically isolated cuprate spin-ladder system: synthesis, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12974","","10.1039/c4dt01746c","","","0.71073","MoKα","","0.0666","0.0617","","","0.1509","0.1539","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031702","9.8063","0.0006","15.1247","0.0009","9.8609","0.0006","90","","90","","90","","1462.54","0.15","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C0.5 H8.5 Cl Cu N2.5 O6 -","- C0.5 H7.5 Cl Cu N2.5 O6 -","- C4 H60 Cl8 Cu8 N20 O48 -","8","1","","Zhang, Xiao; Nishihara, Sadafumi; Nakano, Yuki; Yoshida, Erina; Kato, Chisato; Ren, Xiao-Ming; Maryunina, Kseniya Yu; Inoue, Katsuya","A magnetically isolated cuprate spin-ladder system: synthesis, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12974","","10.1039/c4dt01746c","","","0.71073","MoKα","","0.038","0.0285","","","0.0672","0.0713","","","","","","1.164","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031703","11.5868","0.0006","11.5868","0.0006","7.5429","0.0005","90","","90","","120","","876.99","0.09","10","2","10.15","","","","","","","","","6","P -3","-P 3","147","","","","- C24 H36 B2 F8 N18 Zn -","- C24 H36 B2 F8 N18 Zn -","- C24 H36 B2 F8 N18 Zn -","1","0.166667","","Chakraborty, Pradip; Enachescu, Cristian; Humair, Arnaud; Egger, Leo; Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Besnard, Céline; Bronisz, Robert; Hauser, Andreas","Light-induced spin-state switching in the mixed crystal series of the 2D coordination network {[Zn1-xFex(bbtr)3](BF4)2}∞: optical spectroscopy and cooperative effects.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17786","17796","10.1039/c4dt01728e","","","0.69412","","","0.0847","0.0801","","","0.2312","0.2397","","","","","","1.178","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031704","11.5937","0.0003","11.5937","0.0003","7.5357","0.0004","90","","90","","120","","877.2","0.06","10","2","10.15","","","","","","","","","7","P -3","-P 3","147","","","","- C24 H36 B2 F8 Fe0.67 N18 Zn0.33 -","- C24 H36 B2 F8 Fe0.6701 N18 Zn0.3301 -","- C24 H36 B2 F8 Fe0.6701 N18 Zn0.3301 -","1","0.166667","","Chakraborty, Pradip; Enachescu, Cristian; Humair, Arnaud; Egger, Leo; Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Besnard, Céline; Bronisz, Robert; Hauser, Andreas","Light-induced spin-state switching in the mixed crystal series of the 2D coordination network {[Zn1-xFex(bbtr)3](BF4)2}∞: optical spectroscopy and cooperative effects.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17786","17796","10.1039/c4dt01728e","","","0.69412","","","0.0345","0.0325","","","0.0789","0.0831","","","","","","1.057","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031705","11.4601","0.0016","11.4601","0.0016","7.602","0.003","90","","90","","120","","864.6","0.4","10","2","10.15","","","","","","","","","7","P -3","-P 3","147","","","","- C24 H36 B2 F8 Fe0.67 N18 Zn0.33 -","- C24 H36 B2 F8 Fe0.6702 N18 Zn0.33 -","- C24 H36 B2 F8 Fe0.6702 N18 Zn0.33 -","1","0.166667","","Chakraborty, Pradip; Enachescu, Cristian; Humair, Arnaud; Egger, Leo; Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Besnard, Céline; Bronisz, Robert; Hauser, Andreas","Light-induced spin-state switching in the mixed crystal series of the 2D coordination network {[Zn1-xFex(bbtr)3](BF4)2}∞: optical spectroscopy and cooperative effects.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17786","17796","10.1039/c4dt01728e","","","0.69412","","","0.077","0.0722","","","0.1966","0.2033","","","","","","1.117","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031706","11.5915","0.0003","11.5915","0.0003","7.5372","0.0002","90","","90","","120","","877.04","0.04","10","2","10","","","","","","","","","7","P -3","-P 3","147","","","","- C24 H36 B2 F8 Fe0.31 N18 Zn0.69 -","- C24 H36 B2 F8 Fe0.31 N18 Zn0.6901 -","- C24 H36 B2 F8 Fe0.31 N18 Zn0.6901 -","1","0.166667","","Chakraborty, Pradip; Enachescu, Cristian; Humair, Arnaud; Egger, Leo; Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Besnard, Céline; Bronisz, Robert; Hauser, Andreas","Light-induced spin-state switching in the mixed crystal series of the 2D coordination network {[Zn1-xFex(bbtr)3](BF4)2}∞: optical spectroscopy and cooperative effects.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17786","17796","10.1039/c4dt01728e","","","0.69412","","","0.042","0.041","","","0.1162","0.1186","","","","","","1.112","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031707","11.5302","0.0003","11.5302","0.0003","7.5779","0.0003","90","","90","","120","","872.48","0.05","10","2","10","","","","","","","","","7","P -3","-P 3","147","","","","- C24 H36 B2 F8 Fe0.31 N18 Zn0.69 -","- C24 H36 B2 F8 Fe0.31 N18 Zn0.6901 -","- C24 H36 B2 F8 Fe0.31 N18 Zn0.6901 -","1","0.166667","","Chakraborty, Pradip; Enachescu, Cristian; Humair, Arnaud; Egger, Leo; Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Besnard, Céline; Bronisz, Robert; Hauser, Andreas","Light-induced spin-state switching in the mixed crystal series of the 2D coordination network {[Zn1-xFex(bbtr)3](BF4)2}∞: optical spectroscopy and cooperative effects.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17786","17796","10.1039/c4dt01728e","","","0.69412","","","0.0416","0.0403","","","0.1169","0.1181","","","","","","1.164","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031708","19.1767","0.0005","11.3151","0.0004","23.0147","0.0007","90","","98.482","0.002","90","","4939.3","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H44 Mo8 N12 O28 -","- C24 H44 Mo8 N12 O28 -","- C96 H176 Mo32 N48 O112 -","4","1","","Carrasco, Carlos J.; Montilla, Francisco; Alvarez, Eleuterio; Mealli, Carlo; Manca, Gabriele; Galindo, Agustín","Experimental and theoretical insights into the oxodiperoxomolybdenum-catalysed sulphide oxidation using hydrogen peroxide in ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13711","13730","10.1039/c4dt01733a","","","0.71073","MoKα","","0.0179","0.0173","","","0.0451","0.0453","","","","","","1.078","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031709","11.7737","0.0005","13.2676","0.0006","21.7757","0.0011","90","","102.197","0.002","90","","3324.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 Mo8 N16 O26 -","- C40 H68 Mo8 N16 O26 -","- C80 H136 Mo16 N32 O52 -","2","0.5","","Carrasco, Carlos J.; Montilla, Francisco; Alvarez, Eleuterio; Mealli, Carlo; Manca, Gabriele; Galindo, Agustín","Experimental and theoretical insights into the oxodiperoxomolybdenum-catalysed sulphide oxidation using hydrogen peroxide in ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13711","13730","10.1039/c4dt01733a","","","0.71073","MoKα","","0.0961","0.0647","","","0.1335","0.1926","","","","","","1.006","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031710","20.18","0.0014","10.0629","0.0007","22.8645","0.0016","90","","105.041","0.002","90","","4484","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H34 Mo8 N12 O33 -","- C18 H34 Mo8 N12 O33 -","- C72 H136 Mo32 N48 O132 -","4","0.5","","Carrasco, Carlos J.; Montilla, Francisco; Alvarez, Eleuterio; Mealli, Carlo; Manca, Gabriele; Galindo, Agustín","Experimental and theoretical insights into the oxodiperoxomolybdenum-catalysed sulphide oxidation using hydrogen peroxide in ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13711","13730","10.1039/c4dt01733a","","","0.71073","MoKα","","0.0344","0.0323","","","0.0761","0.0769","","","","","","1.111","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031711","10.6258","0.0007","10.6937","0.0008","11.2851","0.0008","93.182","0.002","117.554","0.002","101.937","0.002","1095.26","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 Mo8 N12 O31 -","- C18 H34 Mo8 N12 O31 -","- C18 H34 Mo8 N12 O31 -","1","0.5","","Carrasco, Carlos J.; Montilla, Francisco; Alvarez, Eleuterio; Mealli, Carlo; Manca, Gabriele; Galindo, Agustín","Experimental and theoretical insights into the oxodiperoxomolybdenum-catalysed sulphide oxidation using hydrogen peroxide in ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13711","13730","10.1039/c4dt01733a","","","0.71073","MoKα","","0.0402","0.033","","","0.0883","0.0914","","","","","","1.038","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031712","16.4372","0.0015","25.568","0.003","30.217","0.003","90","","90","","90","","12699","2","100","2","100","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C52 H88 Cl4 Cu4 Fe2 P4 -","- C52 H88 Cl4 Cu4 Fe2 P4 -","- C416 H704 Cl32 Cu32 Fe16 P32 -","8","","","Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","Syntheses, characterization, and structural studies of copper(i) complexes containing 1,1'-bis(di-tert-butylphosphino)ferrocene (dtbpf) and their application in palladium-catalyzed Sonogashira coupling of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13620","13629","10.1039/c4dt01411a","","","0.71073","MoKα","","0.0924","0.0483","","","0.1172","0.157","","","","","","1.145","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031713","15.0968","0.0008","17.6712","0.001","19.1629","0.0011","68.193","0.003","69.974","0.002","82.735","0.002","4459.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H132 Br6 Cu6 Fe3 P6 -","- C78 H132 Br6 Cu6 Fe3 P6 -","- C156 H264 Br12 Cu12 Fe6 P12 -","2","1","","Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","Syntheses, characterization, and structural studies of copper(i) complexes containing 1,1'-bis(di-tert-butylphosphino)ferrocene (dtbpf) and their application in palladium-catalyzed Sonogashira coupling of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13620","13629","10.1039/c4dt01411a","","","0.71073","MoKα","","0.0842","0.045","","","0.0837","0.0963","","","","","","1.014","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031714","20.4931","0.0018","11.207","0.0009","26.943","0.004","90","","90","","90","","6187.9","1.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C52 H88 Cu4 Fe2 I4 P4 -","- C52 H88 Cu4 Fe2 I4 P4 -","- C208 H352 Cu16 Fe8 I16 P16 -","4","1","","Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","Syntheses, characterization, and structural studies of copper(i) complexes containing 1,1'-bis(di-tert-butylphosphino)ferrocene (dtbpf) and their application in palladium-catalyzed Sonogashira coupling of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13620","13629","10.1039/c4dt01411a","","","0.71073","MoKα","","0.1615","0.1492","","","0.3531","0.3658","","","","","","1.451","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031715","8.583","0.004","16.929","0.007","19.659","0.008","90","","99.892","0.005","90","","2814","2","273","2","273","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl F3 N3 O4 Rh S -","- C26 H26 Cl F3 N3 O4 Rh S -","- C104 H104 Cl4 F12 N12 O16 Rh4 S4 -","4","1","","Yu, Wei-Bin; He, Qing-Ya; Shi, Hua-Tian; Pan, Yan; Wei, Xianwen","Water oxidation catalysts and pH sensors based on azo-conjugated iridium/rhodium motifs.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12221","12227","10.1039/c4dt00491d","","","0.71073","MoKα","","0.1869","0.0813","","","0.1528","0.1905","","","","","","0.97","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031716","9.205","0.002","11.366","0.003","16.818","0.004","102.389","0.003","96.745","0.003","104.938","0.002","1632.5","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H26 F6 Ir N3 O8 S2 -","- C27 H26 F6 Ir N3 O8 S2 -","- C54 H52 F12 Ir2 N6 O16 S4 -","2","1","","Yu, Wei-Bin; He, Qing-Ya; Shi, Hua-Tian; Pan, Yan; Wei, Xianwen","Water oxidation catalysts and pH sensors based on azo-conjugated iridium/rhodium motifs.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12221","12227","10.1039/c4dt00491d","","","0.71073","MoKα","","0.0528","0.0429","","","0.1101","0.1155","","","","","","1.024","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031717","9.1279","0.0017","11.394","0.002","16.825","0.003","102.33","0.003","96.882","0.002","104.537","0.002","1626.7","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H27 F6 N3 O8 Rh S2 -","- C27 H27 F6 N3 O8 Rh S2 -","- C54 H54 F12 N6 O16 Rh2 S4 -","2","1","","Yu, Wei-Bin; He, Qing-Ya; Shi, Hua-Tian; Pan, Yan; Wei, Xianwen","Water oxidation catalysts and pH sensors based on azo-conjugated iridium/rhodium motifs.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12221","12227","10.1039/c4dt00491d","","","0.71073","MoKα","","0.1343","0.0962","","","0.2134","0.2546","","","","","","1.055","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031718","13.5054","0.0003","28.7294","0.0005","13.3073","0.0003","90","","114.321","0.003","90","","4705","0.2","123","0.3","123","0.3","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H130 Fe2 O2 S4 -","- C112 H130 Fe2 O2 S4 -","- C224 H260 Fe4 O4 S8 -","2","0.5","","Heinl, S.; Scheer, M.","Low temperature activation of S8, Sered and α-Te with [Cp(BIG)Fe(CO)2] radicals.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16139","16142","10.1039/c4dt01764a","","x-ray","1.54178","CuKα","","0.0516","0.0376","","","0.0924","0.0955","","","","","","0.909","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031719","13.4614","0.0001","28.5802","0.0002","13.7406","0.0001","90","","114.394","0.001","90","","4814.48","0.07","123","0.2","123","0.2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H130 Fe2 O2 Se4 -","- C112 H130 Fe2 O2 Se4 -","- C224 H260 Fe4 O4 Se8 -","2","0.5","","Heinl, S.; Scheer, M.","Low temperature activation of S8, Sered and α-Te with [Cp(BIG)Fe(CO)2] radicals.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16139","16142","10.1039/c4dt01764a","","x-ray","1.54178","CuKα","","0.0556","0.0491","","","0.1479","0.1515","","","","","","1.062","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031720","13.7339","0.0004","14.0008","0.0004","14.5709","0.0004","105.226","0.003","92.08","0.002","114.452","0.003","2427.18","0.14","123.1","0.1","123.1","0.1","","","","","","","see text","5","P -1","-P 1","2","","","","- C57 H65 Fe O2 Se -","- C57 H65 Fe O2 Se -","- C114 H130 Fe2 O4 Se2 -","2","1","","Heinl, S.; Scheer, M.","Low temperature activation of S8, Sered and α-Te with [Cp(BIG)Fe(CO)2] radicals.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16139","16142","10.1039/c4dt01764a","","x-ray","1.54178","CuKα","","0.0919","0.0797","","","0.2423","0.2548","","","","","","1.129","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031721","14.1706","0.0004","19.543","0.0006","19.6307","0.0005","74.04","0.003","82.507","0.002","75.027","0.003","5039.1","0.3","123.4","0.7","123.4","0.7","","","","","","","see text","7","P -1","-P 1","2","","","","- C229 H265 Cl2 Fe4 N O6 Se4 -","- C229 H265 Cl2 Fe4 N O6 Se4 -","- C229 H265 Cl2 Fe4 N O6 Se4 -","1","0.5","","Heinl, S.; Scheer, M.","Low temperature activation of S8, Sered and α-Te with [Cp(BIG)Fe(CO)2] radicals.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16139","16142","10.1039/c4dt01764a","","x-ray","1.54178","CuKα","","0.0714","0.0575","","","0.1634","0.1691","","","","","","1","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031722","25.3317","0.0002","27.1293","0.0002","28.8386","0.0002","90","","90","","90","","19818.8","0.3","123.2","0.3","123.2","0.3","","","","","","","see text","6","P c a 21","P 2c -2ac","29","","","","- C229 H262 Cl2 Fe4 O8 Te2 -","- C229 H262 Cl2 Fe4 O8 Te2 -","- C916 H1048 Cl8 Fe16 O32 Te8 -","4","1","","Heinl, S.; Scheer, M.","Low temperature activation of S8, Sered and α-Te with [Cp(BIG)Fe(CO)2] radicals.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16139","16142","10.1039/c4dt01764a","","x-ray","1.54178","CuKα","","0.0534","0.0461","","","0.1279","0.1306","","","","","","1.036","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031723","14.1813","0.0001","15.5102","0.0001","23.3895","0.0001","107.255","0.001","101.438","0.001","95.228","0.001","4753.33","0.06","123","0.3","123","0.3","","","","","","","see text","4","P -1","-P 1","2","","","","- C110 H130 Fe2 S4 -","- C110 H130 Fe2 S4 -","- C220 H260 Fe4 S8 -","2","1","","Heinl, S.; Scheer, M.","Low temperature activation of S8, Sered and α-Te with [Cp(BIG)Fe(CO)2] radicals.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16139","16142","10.1039/c4dt01764a","","x-ray","1.54178","CuKα","","0.0335","0.0296","","","0.0784","0.0794","","","","","","0.996","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031724","22.119","0.0004","22.2233","0.0005","23.0616","0.0003","90.382","0.001","92.79","0.001","112.446","0.002","10460.9","0.4","128","7","128","7","","","","","","","see text","6","P -1","-P 1","2","","","","- C113.5 H136.25 Cl4 Fe2 N0.75 Se4 -","- C112 H134 Cl4 Fe2 Se4 -","- C448 H536 Cl16 Fe8 Se16 -","4","2","","Heinl, S.; Scheer, M.","Low temperature activation of S8, Sered and α-Te with [Cp(BIG)Fe(CO)2] radicals.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16139","16142","10.1039/c4dt01764a","","x-ray","1.54178","CuKα","","0.0749","0.0569","","","0.1608","0.1683","","","","","","1.007","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031725","8.4917","0.0002","27.4235","0.0007","13.0479","0.0003","90","","100.888","0.001","90","","2983.8","0.12","123","1","123","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Cl F6 Ir N4 O P -","- C30 H27 Cl F6 Ir N4 O P -","- C120 H108 Cl4 F24 Ir4 N16 O4 P4 -","4","1","","Reithmeier, Richard O.; Meister, Simon; Rieger, Bernhard; Siebel, Armin; Tschurl, Martin; Heiz, Ulrich; Herdtweck, Eberhardt","Mono- and bimetallic Ir(iii) based catalysts for the homogeneous photocatalytic reduction of CO2 under visible light irradiation. New insights into catalyst deactivation.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13259","13269","10.1039/c4dt01717j","","","0.71073","MoKα","","0.0241","0.0204","","","0.0446","0.0458","","","","","","1.137","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031726","10.5484","0.0015","10.5484","0.0015","6.5261","0.0009","90","","90","","120","","628.87","0.15","293","","293","","","","","","","","high pressure synthesis","5","P 63/m","-P 6c","176","","","","- Co F Na2 O4 P -","- Co F Na2 O4 P -","- Co6 F6 Na12 O24 P6 -","6","0.5","","Ben Yahia, Hamdi; Mori, Daisuke; Shikano, Masahiro; Kobayashi, Hironori; Inaguma, Yoshiyuki","Structural, magnetic, and electrochemical properties of the high pressure form of Na2Co[PO4]F.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13630","13636","10.1039/c4dt01418a","","x-ray","0.71069","MoKα","","0.0621","0.0349","","","0.0727","0.087","","","","1.2","1.2","1.17","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031727","5.9069","0.0002","10.5275","0.0004","20.8395","0.001","84.746","0.004","82.237","0.003","77.711","0.003","1251.96","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","11-(4-tert-butylphenyl)dipyrido[3,2-a:2',3'-c]phenazine","","- C29 H23 Cl3 N4 -","- C29 H23 Cl3 N4 -","- C58 H46 Cl6 N8 -","2","1","","van der Salm, Holly; Larsen, Christopher B.; McLay, James R. W.; Fraser, Michael G.; Lucas, Nigel T.; Gordon, Keith C.","Stretching the phenazine MO in dppz: the effect of phenyl and phenyl-ethynyl groups on the photophysics of Re(i) dppz complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17775","17785","10.1039/c4dt01415d","","","1.54184","CuKα","","0.047","0.0403","","","0.1089","0.1145","","","","","","1.036","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031728","16.6682","0.0003","16.9652","0.0004","17.2318","0.0004","90","","92.128","0.002","90","","4869.44","0.18","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 Ca2 Cl12 Mn N4 O14 -","- C33 H28 Ca2 Cl12 Mn N4 O14 -","- C132 H112 Ca8 Cl48 Mn4 N16 O56 -","4","1","","Benniston, A. C.; Melnic, S.; Turta, C.; Arauzo, A. B.; Bartolomé, J; Bartolomé, E; Harrington, R. W.; Probert, M. R.","Preparation and properties of a calcium(ii)-based molecular chain decorated with manganese(ii) butterfly-like complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13349","13357","10.1039/c4dt01518e","","","0.71073","MoKα","","0.0659","0.0496","","","0.1047","0.1149","","","","","","1.036","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031729","27.7677","0.0003","13.6919","0.0002","16.325","0.0002","90","","114.432","0.001","90","","5650.86","0.13","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H56 Cl2 N4 O4 P2 Ru -","- C64 H56 Cl2 N4 O4 P2 Ru -","- C256 H224 Cl8 N16 O16 P8 Ru4 -","4","0.5","","Chandra Patra, Sarat; Saha Roy, Amit; Manivannan, Vadivelu; Weyhermüller, Thomas; Ghosh, Prasanta","Ruthenium, osmium and rhodium complexes of 1,4-diaryl 1,4-diazabutadiene: radical versus non-radical states.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13731","13741","10.1039/c4dt01241k","","","0.71073","MoKα","","0.0553","0.0323","","","0.0627","0.0686","","","","","","0.928","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031730","28.09","0.002","13.7216","0.0009","10.9264","0.0007","90","","90","","90","","4211.5","0.5","133","2","133","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C16 H26 N2 Ni O2 -","- C16 H26 N2 Ni O2 -","- C128 H208 N16 Ni8 O16 -","8","1","","Freund, Robert R. A.; Görls, Helmar; Langer, Jens","Nickelalactones with an allyl subunit - the effect of penta-coordination on structures and stability.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13988","14000","10.1039/c4dt01863j","","","0.71073","MoKα","","0.097","0.0802","","","0.209","0.2185","","","","","","1.045","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031731","13.8132","0.0005","12.2553","0.0004","14.968","0.0004","90","","97.186","0.002","90","","2513.95","0.14","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 N2 Ni O2 P -","- C28 H35 N2 Ni O2 P -","- C112 H140 N8 Ni4 O8 P4 -","4","1","","Freund, Robert R. A.; Görls, Helmar; Langer, Jens","Nickelalactones with an allyl subunit - the effect of penta-coordination on structures and stability.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13988","14000","10.1039/c4dt01863j","","","0.71073","MoKα","","0.0744","0.0516","","","0.1081","0.1194","","","","","","1.047","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031732","10.9306","0.0003","11.3308","0.0003","18.4592","0.0005","72.221","0.001","76.133","0.001","67.433","0.001","1990.74","0.09","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H52 Ni2 O5 P2 -","- C43 H52 Ni2 O5 P2 -","- C86 H104 Ni4 O10 P4 -","2","1","","Freund, Robert R. A.; Görls, Helmar; Langer, Jens","Nickelalactones with an allyl subunit - the effect of penta-coordination on structures and stability.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13988","14000","10.1039/c4dt01863j","","","0.71073","MoKα","","0.1129","0.0971","","","0.2132","0.2196","","","","","","1.231","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031733","9.6594","0.0004","32.5695","0.0015","10.9054","0.0005","90","","101.745","0.001","90","","3359","0.3","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H60 Ni O3 P2 -","- C33 H60 Ni O3 P2 -","- C132 H240 Ni4 O12 P8 -","4","1","","Freund, Robert R. A.; Görls, Helmar; Langer, Jens","Nickelalactones with an allyl subunit - the effect of penta-coordination on structures and stability.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13988","14000","10.1039/c4dt01863j","","","0.71073","MoKα","","0.0919","0.0774","","","0.1565","0.1642","","","","","","1.13","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031734","13.2538","0.0003","9.9914","0.0002","21.0848","0.0003","90","","103.144","0.001","90","","2718.98","0.09","133","2","133","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C52 H96 Ni P4 -","- C52 H96 Ni P4 -","- C104 H192 Ni2 P8 -","2","0.5","","Freund, Robert R. A.; Görls, Helmar; Langer, Jens","Nickelalactones with an allyl subunit - the effect of penta-coordination on structures and stability.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13988","14000","10.1039/c4dt01863j","","","0.71073","MoKα","","0.074","0.064","","","0.1723","0.1793","","","","","","1.052","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031735","10.581","0.0002","12.304","0.0002","13.7385","0.0002","97.923","0.001","106.776","0.001","101.793","0.001","1638.94","0.05","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H62 Ni O0.5 P2 -","- C34 H62 Ni O0.5 P2 -","- C68 H124 Ni2 O P4 -","2","1","","Freund, Robert R. A.; Görls, Helmar; Langer, Jens","Nickelalactones with an allyl subunit - the effect of penta-coordination on structures and stability.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13988","14000","10.1039/c4dt01863j","","","0.71073","MoKα","","0.065","0.0606","","","0.1799","0.1873","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031736","10.1055","0.0003","11.0712","0.0003","14.8446","0.0004","104.247","0.002","92.999","0.001","103.896","0.002","1551.63","0.08","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H58 Ni P2 -","- C32 H58 Ni P2 -","- C64 H116 Ni2 P4 -","2","1","","Freund, Robert R. A.; Görls, Helmar; Langer, Jens","Nickelalactones with an allyl subunit - the effect of penta-coordination on structures and stability.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13988","14000","10.1039/c4dt01863j","","","0.71073","MoKα","","0.0616","0.0505","","","0.0999","0.1065","","","","","","1.135","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031737","11.7198","0.0002","20.412","0.0003","15.387","0.0002","90","","100.37","0.001","90","","3620.82","0.09","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H68 Ni O P2 -","- C38 H68 Ni O P2 -","- C152 H272 Ni4 O4 P8 -","4","1","","Freund, Robert R. A.; Görls, Helmar; Langer, Jens","Nickelalactones with an allyl subunit - the effect of penta-coordination on structures and stability.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13988","14000","10.1039/c4dt01863j","","","0.71073","MoKα","","0.0371","0.0318","","","0.0767","0.0801","","","","","","1.053","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031738","10.5516","0.0019","22.452","0.004","15.059","0.003","90","","93.75","0.004","90","","3559.9","1.1","120","2","120","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 B2 Br2 Cl2 F2 Fe N6 O6 -","- C31 H22 B2 Br2 Cl2 F2 Fe N6 O6 -","- C124 H88 B8 Br8 Cl8 F8 Fe4 N24 O24 -","4","1","","Varzatskii, Oleg A.; Shul'ga, Sergey V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Vologzhanina, Anna V.; Voloshin, Yan Z.","Copper(i)- and copper(0)-promoted homocoupling and homocoupling-hydrodehalogenation reactions of dihalogenoclathrochelate precursors for C-C conjugated iron(ii) bis-cage complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17934","17948","10.1039/c4dt01557f","","","0.71073","MoKα","","0.1054","0.0481","","","0.0949","0.106","","","","","","1.003","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031739","16.233","0.003","14.49","0.002","33.279","0.006","90","","100.199","0.003","90","","7704","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H60 B4 F4 Fe2 N12 O12 -","- C60 H42 B4 F4 Fe2 N12 O12 -","- C240 H168 B16 F16 Fe8 N48 O48 -","4","0.5","","Varzatskii, Oleg A.; Shul'ga, Sergey V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Vologzhanina, Anna V.; Voloshin, Yan Z.","Copper(i)- and copper(0)-promoted homocoupling and homocoupling-hydrodehalogenation reactions of dihalogenoclathrochelate precursors for C-C conjugated iron(ii) bis-cage complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17934","17948","10.1039/c4dt01557f","","","0.71073","MoKα","","0.1116","0.0891","","","0.2139","0.2226","","","","","","1.013","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031740","33.569","0.004","17.048","0.002","23.737","0.003","90","","128.29","0.003","90","","10662","2","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C96 H70 B4 Cl6 F4 Fe2 I2 N12 O12 -","- C96 H70 B4 Cl6 F4 Fe2 I2 N12 O12 -","- C384 H280 B16 Cl24 F16 Fe8 I8 N48 O48 -","4","0.5","","Varzatskii, Oleg A.; Shul'ga, Sergey V.; Belov, Alexander S.; Novikov, Valentin V.; Dolganov, Alexander V.; Vologzhanina, Anna V.; Voloshin, Yan Z.","Copper(i)- and copper(0)-promoted homocoupling and homocoupling-hydrodehalogenation reactions of dihalogenoclathrochelate precursors for C-C conjugated iron(ii) bis-cage complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17934","17948","10.1039/c4dt01557f","","","0.71073","MoKα","","0.0977","0.0802","","","0.2145","0.2284","","","","","","0.994","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031741","11.0395","0.0008","13.5231","0.0009","17.6638","0.0018","72.59","0.005","86.21","0.005","67.426","0.004","2319.9","0.3","150","0.02","150","0.02","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H57.5 B2 N12 O U -","- C46.5 H54 B2 N12 O U -","- C93 H108 B4 N24 O2 U2 -","2","1","","Matson, Ellen M.; Kiernicki, John J.; Anderson, Nickolas H.; Fanwick, Phillip E.; Bart, Suzanne C.","Isolation of a uranium(iii) benzophenone ketyl radical that displays redox-active ligand behaviour.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17885","17888","10.1039/c4dt01636j","","","1.54184","CU-Kα","","0.069","0.068","","","0.179","0.18","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031742","9.535","0.005","25.768","0.005","12.599","0.005","90","","93.582","0.005","90","","3090","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N8 O5 Os -","- C31 H28 N8 O5 Os -","- C124 H112 N32 O20 Os4 -","4","1","","Das, Ankita; Agarwala, Hemlata; Kundu, Tanaya; Ghosh, Prabir; Mondal, Sudipta; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Electronic structures and selective fluoride sensing features of Os(bpy)2(HL(2-)) and [{Os(bpy)2}2(μ-HL(2-))](2+) (H3L: 5-(1H-benzo[d]imidazol-2-yl)-1H-imidazole-4-carboxylic acid).","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13932","13947","10.1039/c4dt01821d","","","1.5418","CuKα","","0.0198","0.0194","","","0.0512","0.0516","","","","","","0.881","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031743","12.946","0.002","13.68","0.002","19.492","0.004","90","","114.307","0.002","90","","3146","0.9","291","2","291","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C52 H48 Cl8 Cu2 N12 O4 -","- C52 H48 Cl8 Cu2 N12 O4 -","- C104 H96 Cl16 Cu4 N24 O8 -","2","0.5","","Dai, Yuan; Wang, Yin-Ge; Geng, Jiao; Peng, Yu-Xin; Huang, Wei","Dinuclear Cu(ii) complexes based on two flexible Schiff-base ligands and one unusual in situ formed diphenolate 2,6-piperidin-4-one derivative.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13831","13834","10.1039/c4dt01014k","","","0.71073","MoKα","","0.0687","0.055","","","0.1533","0.1647","","","","","","1.07","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031744","12.949","0.01","14.283","0.012","19.337","0.012","90","","114.18","0.04","90","","3263","4","291","2","291","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C52 H48 Br8 Cu2 N12 O4 -","- C52 H48 Br8 Cu2 N12 O4 -","- C104 H96 Br16 Cu4 N24 O8 -","2","0.5","","Dai, Yuan; Wang, Yin-Ge; Geng, Jiao; Peng, Yu-Xin; Huang, Wei","Dinuclear Cu(ii) complexes based on two flexible Schiff-base ligands and one unusual in situ formed diphenolate 2,6-piperidin-4-one derivative.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13831","13834","10.1039/c4dt01014k","","","0.71073","MoKα","","0.1841","0.0939","","","0.2058","0.2451","","","","","","1.06","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031745","8.722","0.007","18.004","0.013","18.378","0.014","90","","99.404","0.01","90","","2847","4","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H54 Cl8 Cu2 N6 O10 -","- C50 H54 Cl8 Cu2 N6 O10 -","- C100 H108 Cl16 Cu4 N12 O20 -","2","0.5","","Dai, Yuan; Wang, Yin-Ge; Geng, Jiao; Peng, Yu-Xin; Huang, Wei","Dinuclear Cu(ii) complexes based on two flexible Schiff-base ligands and one unusual in situ formed diphenolate 2,6-piperidin-4-one derivative.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13831","13834","10.1039/c4dt01014k","","","0.71073","MoKα","","0.1325","0.0628","","","0.1491","0.17","","","","","","0.871","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031746","13.646","0.002","20.372","0.002","22.809","0.002","90","","95.89","0.02","90","","6307.3","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72.45 H87.35 N4 Si -","- C72.44 H87.36 N4 Si -","- C289.76 H349.44 N16 Si4 -","4","1","","Ghadwal, Rajendra S.; Reichmann, Sven O.; Carl, Elena; Herbst-Irmer, Regine","Synthesis and structural investigation of R2Si (R = Me, Ph) bridged di-N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13704","13710","10.1039/c4dt01681e","","","0.71073","MoKα","","0.0608","0.0449","","","0.1072","0.117","","","","","","1.029","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031747","11.38","0.002","15.471","0.002","24.676","0.003","90","","98.03","0.02","90","","4301.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H53 Cl2 Cu N2 Si -","- C46 H53 Cl2 Cu N2 Si -","- C184 H212 Cl8 Cu4 N8 Si4 -","4","1","","Ghadwal, Rajendra S.; Reichmann, Sven O.; Carl, Elena; Herbst-Irmer, Regine","Synthesis and structural investigation of R2Si (R = Me, Ph) bridged di-N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13704","13710","10.1039/c4dt01681e","","","0.71073","MoKα","","0.0368","0.0288","","","0.0697","0.074","","","","","","1.036","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031748","10.9","0.002","11.162","0.002","18.612","0.003","78.13","0.02","79.3","0.03","65.94","0.02","2010.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H53 Cl N2 Si -","- C46 H53 Cl N2 Si -","- C92 H106 Cl2 N4 Si2 -","2","1","","Ghadwal, Rajendra S.; Reichmann, Sven O.; Carl, Elena; Herbst-Irmer, Regine","Synthesis and structural investigation of R2Si (R = Me, Ph) bridged di-N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13704","13710","10.1039/c4dt01681e","","","0.71073","MoKα","","0.0541","0.041","","","0.0965","0.1034","","","","","","1.049","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031749","24.735","0.003","11.999","0.002","23.789","0.002","90","","90","","90","","7060.5","1.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C69 H86 Cl8 Cu2 N4 Si -","- C69 H86 Cl8 Cu2 N4 Si -","- C276 H344 Cl32 Cu8 N16 Si4 -","4","1","","Ghadwal, Rajendra S.; Reichmann, Sven O.; Carl, Elena; Herbst-Irmer, Regine","Synthesis and structural investigation of R2Si (R = Me, Ph) bridged di-N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13704","13710","10.1039/c4dt01681e","","","0.71073","MoKα","","0.0373","0.0352","","","0.0955","0.0968","","","","","","1.075","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031750","7.2978","0.0008","8.114","0.001","10.499","0.0013","93.34","0.02","107.6","0.02","94.49","0.03","588.57","0.14","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 B F2 N3 O -","- C12 H12 B F2 N3 O -","- C24 H24 B2 F4 N6 O2 -","2","1","","Du, Mei-Ling; Hu, Chun-Yan; Wang, Liu-Fang; Li, Cong; Han, Yang-Yang; Gan, Xin; Chen, Yong; Mu, Wei-Hua; Huang, Michael L.; Fu, Wen-Fu","New members of fluorescent 1,8-naphthyridine-based BF2 compounds: selective binding of BF2 with terminal bidentate N^N^O and N^C^O groups and tunable spectroscopy properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13924","13931","10.1039/c4dt01735h","","","0.71075","MoKα","","0.0503","0.0476","","","0.1337","0.1369","","","","","","1.041","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031751","4.647","0.0008","19.055","0.003","11.323","0.0018","90","","96.136","0.008","90","","996.9","0.3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 B F2 N3 O2 -","- C10 H8 B F2 N3 O2 -","- C40 H32 B4 F8 N12 O8 -","4","1","","Du, Mei-Ling; Hu, Chun-Yan; Wang, Liu-Fang; Li, Cong; Han, Yang-Yang; Gan, Xin; Chen, Yong; Mu, Wei-Hua; Huang, Michael L.; Fu, Wen-Fu","New members of fluorescent 1,8-naphthyridine-based BF2 compounds: selective binding of BF2 with terminal bidentate N^N^O and N^C^O groups and tunable spectroscopy properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13924","13931","10.1039/c4dt01735h","","","0.71075","MoKα","","0.0537","0.0368","","","0.083","0.091","","","","","","1.007","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031752","20.167","0.006","17.717","0.005","9.387","0.003","90","","99.038","0.004","90","","3312.3","1.7","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 B F2 N3 O3.5 -","- C16 H17 B F2 N3 O3.5 -","- C128 H136 B8 F16 N24 O28 -","8","2","","Du, Mei-Ling; Hu, Chun-Yan; Wang, Liu-Fang; Li, Cong; Han, Yang-Yang; Gan, Xin; Chen, Yong; Mu, Wei-Hua; Huang, Michael L.; Fu, Wen-Fu","New members of fluorescent 1,8-naphthyridine-based BF2 compounds: selective binding of BF2 with terminal bidentate N^N^O and N^C^O groups and tunable spectroscopy properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13924","13931","10.1039/c4dt01735h","","","0.71073","MoKα","","0.0676","0.0471","","","0.098","0.1067","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031753","11.461","0.003","12.13","0.003","14.451","0.004","83.107","0.007","82.118","0.007","73.049","0.006","1896.8","0.9","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C12.33333 H13.66667 B Cl0.66667 F2 N3 O -","- C12.3333 H12.6667 B Cl0.666667 F2 N3 O -","- C74 H76 B6 Cl4 F12 N18 O6 -","6","3","","Du, Mei-Ling; Hu, Chun-Yan; Wang, Liu-Fang; Li, Cong; Han, Yang-Yang; Gan, Xin; Chen, Yong; Mu, Wei-Hua; Huang, Michael L.; Fu, Wen-Fu","New members of fluorescent 1,8-naphthyridine-based BF2 compounds: selective binding of BF2 with terminal bidentate N^N^O and N^C^O groups and tunable spectroscopy properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13924","13931","10.1039/c4dt01735h","","","0.71073","MoKα","","0.0845","0.064","","","0.2047","0.2227","","","","","","1.039","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7031754","7.645","0.0015","12.31","0.003","16.339","0.003","94.37","0.03","99.76","0.03","95.76","0.03","1500.9","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H13 B Cl F2 N3 O2 -","- C14 H13 B Cl F2 N3 O2 -","- C56 H52 B4 Cl4 F8 N12 O8 -","4","2","","Du, Mei-Ling; Hu, Chun-Yan; Wang, Liu-Fang; Li, Cong; Han, Yang-Yang; Gan, Xin; Chen, Yong; Mu, Wei-Hua; Huang, Michael L.; Fu, Wen-Fu","New members of fluorescent 1,8-naphthyridine-based BF2 compounds: selective binding of BF2 with terminal bidentate N^N^O and N^C^O groups and tunable spectroscopy properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13924","13931","10.1039/c4dt01735h","","","0.71073","MoKα","","0.0662","0.0524","","","0.1678","0.1865","","","","","","1.122","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7031755","8.506","0.001","8.81","0.0011","17.414","0.002","96.487","0.005","103.927","0.003","105.669","0.004","1197.2","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 B F2 N6 O2 -","- C26 H25 B F2 N6 O2 -","- C52 H50 B2 F4 N12 O4 -","2","1","","Du, Mei-Ling; Hu, Chun-Yan; Wang, Liu-Fang; Li, Cong; Han, Yang-Yang; Gan, Xin; Chen, Yong; Mu, Wei-Hua; Huang, Michael L.; Fu, Wen-Fu","New members of fluorescent 1,8-naphthyridine-based BF2 compounds: selective binding of BF2 with terminal bidentate N^N^O and N^C^O groups and tunable spectroscopy properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13924","13931","10.1039/c4dt01735h","","","0.71075","MoKα","","0.0582","0.0371","","","0.0939","0.1001","","","","","","0.909","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031756","9.767","0.003","10.775","0.003","19.152","0.005","96.588","0.005","104.136","0.005","104.661","0.005","1857.1","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 N3 O6 P3 -","- C40 H34 N3 O6 P3 -","- C80 H68 N6 O12 P6 -","2","1","","Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.","Chiral multidentate oxazoline ligands based on cyclophosphazene cores: synthesis, characterization and complexation studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13899","13912","10.1039/c4dt01741b","","","0.71073","MoKα","","0.0966","0.0566","","","0.1403","0.1609","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031757","31.053","0.009","13.909","0.004","20.169","0.006","90","","125.053","0.005","90","","7131","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 N3 O6.5 P3 -","- C38 H30 N3 O6.5 P3 -","- C304 H240 N24 O52 P24 -","8","1","","Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.","Chiral multidentate oxazoline ligands based on cyclophosphazene cores: synthesis, characterization and complexation studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13899","13912","10.1039/c4dt01741b","","","0.71073","MoKα","","0.1183","0.0685","","","0.156","0.1766","","","","","","1.03","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7031758","10.7552","0.0012","17.317","0.002","19.938","0.002","90","","90","","90","","3713.4","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H34 N3 O6 P3 -","- C40 H34 N3 O6 P3 -","- C160 H136 N12 O24 P12 -","4","1","","Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.","Chiral multidentate oxazoline ligands based on cyclophosphazene cores: synthesis, characterization and complexation studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13899","13912","10.1039/c4dt01741b","","","0.71073","MoKα","","0.0514","0.0487","","","0.1024","0.1037","","","","","","1.219","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031759","10.7687","0.0016","11.1585","0.0017","15.827","0.002","96.595","0.003","102.633","0.003","106.603","0.003","1746.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H34 N3 O7 P3 -","- C39 H34 N3 O7 P3 -","- C78 H68 N6 O14 P6 -","2","1","","Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.","Chiral multidentate oxazoline ligands based on cyclophosphazene cores: synthesis, characterization and complexation studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13899","13912","10.1039/c4dt01741b","","","0.71073","MoKα","","0.0586","0.0461","","","0.1081","0.1138","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031760","10.764","0.013","16.732","0.017","13.314","0.017","90","","105.78","0.02","90","","2308","5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H44 N5 O4 P3 -","- C54 H44 N5 O4 P3 -","- C108 H88 N10 O8 P6 -","2","1","","Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.","Chiral multidentate oxazoline ligands based on cyclophosphazene cores: synthesis, characterization and complexation studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13899","13912","10.1039/c4dt01741b","","","0.71073","MoKα","","0.092","0.0541","","","0.1259","0.1513","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031761","10.233","0.003","10.856","0.003","23.31","0.006","86.692","0.005","82.415","0.005","67.156","0.004","2365.4","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 N3 O10 P3 -","- C44 H38 N3 O10 P3 -","- C88 H76 N6 O20 P6 -","2","1","","Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.","Chiral multidentate oxazoline ligands based on cyclophosphazene cores: synthesis, characterization and complexation studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13899","13912","10.1039/c4dt01741b","","","0.71073","MoKα","","0.0915","0.0628","","","0.1645","0.179","","","","","","0.932","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031762","10.492","0.002","15.574","0.003","18.232","0.004","101.573","0.004","106.716","0.004","101.032","0.004","2695","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H46 N3 O20 P3 -","- C52 H46 N3 O20 P3 -","- C104 H92 N6 O40 P6 -","2","1","","Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.","Chiral multidentate oxazoline ligands based on cyclophosphazene cores: synthesis, characterization and complexation studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13899","13912","10.1039/c4dt01741b","","","0.71073","MoKα","","0.0865","0.0548","","","0.1272","0.1402","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031763","33.877","0.007","13.224","0.003","21","0.004","90","","120.42","0.03","90","","8113","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H64 In6 N6 O53 -","- C66 H64 In6 N6 O53 -","- C264 H256 In24 N24 O212 -","4","0.5","","Wang, Xin-Ming; Fan, Rui-Qing; Qiang, Liang-Sheng; Wang, Ping; Yang, Yu-Lin; Wang, Yu-Lei","Crystal transformation synthesis of a highly stable fluorescent 3D indium-tetranuclear {In4(μ2-OH)3} building block based metal organic framework through a dinuclear complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16152","16155","10.1039/c4dt02045f","","","0.71073","MoKα","","0.0617","0.0495","","","0.1333","0.1396","","","","","","1.11","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031764","17.068","0.002","17.068","0.002","20.364","0.004","90","","90","","120","","5137.6","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H42 In8 N6 O45 -","- C66 H42 In8 N6 O45 -","- C198 H126 In24 N18 O135 -","3","0.166667","","Wang, Xin-Ming; Fan, Rui-Qing; Qiang, Liang-Sheng; Wang, Ping; Yang, Yu-Lin; Wang, Yu-Lei","Crystal transformation synthesis of a highly stable fluorescent 3D indium-tetranuclear {In4(μ2-OH)3} building block based metal organic framework through a dinuclear complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16152","16155","10.1039/c4dt02045f","","","0.71073","MoKα","","0.0315","0.0292","","","0.1122","0.1148","","","","","","1.023","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031765","22.927","0.005","22.927","0.005","15.43","0.003","90","","90","","90","","8111","3","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C56 H56 N16 Ni O42 V3 W12 -","- C56 H56 N16 Ni O42 V3 W12 -","- C224 H224 N64 Ni4 O168 V12 W48 -","4","0.25","","Lan, Qing; Zhang, Zhi-Ming; Li, Yang-Guang; Lu, Ying; Wang, En-Bo","Synthesis of a poly-pendant 1-D chain based on 'trans-vanadium' bicapped, Keggin-type vanadtungstate and its photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16265","16269","10.1039/c4dt01575d","","","0.71073","MoKα","","0.0684","0.0604","","","0.182","0.1869","","","","","","1.104","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031766","7.7909","0.0003","14.1052","0.0005","19.913","0.0007","90","","90","","90","","2188.28","0.14","100","2","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cl2 Fe N3 O -","- C20 H28 Cl2 Fe N3 O -","- C80 H112 Cl8 Fe4 N12 O4 -","4","1","","Yankey, Margaret; Obuah, Collins; Guzei, Ilia A.; Osei-Twum, Emmanuel; Hearne, Giovanni; Darkwa, James","(Phenoxyimidazolyl-salicylaldimine)iron complexes: synthesis, properties and iron catalysed ethylene reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13913","13923","10.1039/c4dt01886a","","","1.54178","CuKα","","0.0335","0.0294","","","0.0686","0.0703","","","","","","1.038","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031767","7.931","0.002","14.457","0.004","20.04","0.007","90","","90","","90","","2297.8","1.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Br2 Fe N3 O -","- C20 H28 Br2 Fe N3 O -","- C80 H112 Br8 Fe4 N12 O4 -","4","1","","Yankey, Margaret; Obuah, Collins; Guzei, Ilia A.; Osei-Twum, Emmanuel; Hearne, Giovanni; Darkwa, James","(Phenoxyimidazolyl-salicylaldimine)iron complexes: synthesis, properties and iron catalysed ethylene reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13913","13923","10.1039/c4dt01886a","","","0.71073","MoKα","","0.0273","0.0247","","","0.0617","0.0629","","","","","","1.049","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7031768","7.931","0.002","14.457","0.004","20.04","0.007","90","","90","","90","","2297.8","1.2","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Br2 Fe N3 O -","- C20 H28 Br2 Fe N3 O -","- C80 H112 Br8 Fe4 N12 O4 -","4","1","","Yankey, Margaret; Obuah, Collins; Guzei, Ilia A.; Osei-Twum, Emmanuel; Hearne, Giovanni; Darkwa, James","(Phenoxyimidazolyl-salicylaldimine)iron complexes: synthesis, properties and iron catalysed ethylene reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13913","13923","10.1039/c4dt01886a","","","0.71073","MoKα","","0.0273","0.0247","","","0.0618","0.063","","","","","","1.05","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031769","23.4741","0.0008","12.0721","0.0004","16.8073","0.0005","90","","116.734","0.004","90","","4253.8","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C70 H86 O11 W2 -","- C70 H86 O11 W2 -","- C140 H172 O22 W4 -","2","0.5","","Li, Yuanzhuo; Zhao, Ke-Qing; Feng, Chun; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Redshaw, Carl","Ethyleneglycol tungsten complexes of calix[6 and 8]arenes: synthesis, characterization and ROP of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13612","13619","10.1039/c4dt01936a","","","0.71073","MoKα","","0.0448","0.0364","","","0.0841","0.0881","","","","","","1.024","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031770","12.2109","0.0002","34.2259","0.0005","20.5984","0.0003","90","","92.226","0.001","90","","8602.2","0.2","135","2","135","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C92 H112 O12 W2 -","- C92 H112 O12 W2 -","- C368 H448 O48 W8 -","4","1","","Li, Yuanzhuo; Zhao, Ke-Qing; Feng, Chun; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Redshaw, Carl","Ethyleneglycol tungsten complexes of calix[6 and 8]arenes: synthesis, characterization and ROP of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13612","13619","10.1039/c4dt01936a","","","0.71073","MoKα","","0.0527","0.0387","","","0.0738","0.0779","","","","","","1.067","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031771","19.7129","0.0009","13.6419","0.0007","31.4289","0.0016","90","","104.805","0.005","90","","8171.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.75 H98.75 N O14 W2 -","- C79.803 H98.632 N O14 W2 -","- C319.212 H394.528 N4 O56 W8 -","4","1","","Li, Yuanzhuo; Zhao, Ke-Qing; Feng, Chun; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Redshaw, Carl","Ethyleneglycol tungsten complexes of calix[6 and 8]arenes: synthesis, characterization and ROP of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13612","13619","10.1039/c4dt01936a","","","0.71073","MoKα","","0.0901","0.0552","","","0.1246","0.1415","","","","","","1.05","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031772","14.8901","0.0011","17.5516","0.0013","22.0164","0.0016","112.022","0.0009","105.391","0.001","93.0486","0.001","5067.2","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C103 H134.5 N3.5 O16 W2 -","- C103 H132.834 N3.5 O16 W2 -","- C206 H265.668 N7 O32 W4 -","2","1","","Li, Yuanzhuo; Zhao, Ke-Qing; Feng, Chun; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Redshaw, Carl","Ethyleneglycol tungsten complexes of calix[6 and 8]arenes: synthesis, characterization and ROP of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13612","13619","10.1039/c4dt01936a","","","0.6884","synchrotron","","0.1172","0.0763","","","0.1588","0.175","","","","","","1.113","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7031773","42.531","0.006","14.431","0.002","25.556","0.004","90","","101.441","0.0017","90","","15374","4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H102 N2 O14 W2 -","- C76 H99 N O14 W2 -","- C608 H792 N8 O112 W16 -","8","1","","Li, Yuanzhuo; Zhao, Ke-Qing; Feng, Chun; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Redshaw, Carl","Ethyleneglycol tungsten complexes of calix[6 and 8]arenes: synthesis, characterization and ROP of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13612","13619","10.1039/c4dt01936a","","","0.671","synchrotron","","0.102","0.0889","","","0.1962","0.2037","","","","","","1.222","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031774","7.3918","0.0012","10.7892","0.0018","12.962","0.002","84.097","0.002","81.426","0.002","86.601","0.002","1015.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 N O13 Yb -","- C12 H19 N O13 Yb -","- C24 H38 N2 O26 Yb2 -","2","1","","Zheng, Zhi-Peng; Zhang, Xiu-Xia; Li, Teng; Yang, Jian; Wei, Lei-Ming; Zhang, Li-Guo; Lin, Xiao-Ming; Cai, Yue-Peng","Construction of four low-dimensional NIR-luminescence-tunable Yb(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14009","14015","10.1039/c4dt01601g","","","0.71073","MoKα","","0.0662","0.0593","","","0.1482","0.1524","","","","","","1.072","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031775","5.9187","0.0006","10.336","0.0011","14.5617","0.0016","101.275","0.001","98.808","0.001","106.03","0.001","819.14","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N O10 Yb -","- C12 H9 N O10 Yb -","- C24 H18 N2 O20 Yb2 -","2","1","","Zheng, Zhi-Peng; Zhang, Xiu-Xia; Li, Teng; Yang, Jian; Wei, Lei-Ming; Zhang, Li-Guo; Lin, Xiao-Ming; Cai, Yue-Peng","Construction of four low-dimensional NIR-luminescence-tunable Yb(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14009","14015","10.1039/c4dt01601g","","","0.71073","MoKα","","0.048","0.0417","","","0.1092","0.1145","","","","","","1.087","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031776","7.0405","0.001","10.0943","0.0014","12.0712","0.0017","104.103","0.002","101.5","0.002","105.459","0.002","769.2","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 N O11 Yb -","- C13 H12 N O11 Yb -","- C26 H24 N2 O22 Yb2 -","2","1","","Zheng, Zhi-Peng; Zhang, Xiu-Xia; Li, Teng; Yang, Jian; Wei, Lei-Ming; Zhang, Li-Guo; Lin, Xiao-Ming; Cai, Yue-Peng","Construction of four low-dimensional NIR-luminescence-tunable Yb(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14009","14015","10.1039/c4dt01601g","","","0.71073","MoKα","","0.0467","0.0388","","","0.0933","0.0984","","","","","","1.028","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031777","7.575","0.004","9.851","0.005","12.196","0.006","104.315","0.006","106.679","0.006","101.612","0.006","807.6","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N2 O23 Yb2 -","- C26 H26 N2 O23 Yb2 -","- C26 H26 N2 O23 Yb2 -","1","0.5","","Zheng, Zhi-Peng; Zhang, Xiu-Xia; Li, Teng; Yang, Jian; Wei, Lei-Ming; Zhang, Li-Guo; Lin, Xiao-Ming; Cai, Yue-Peng","Construction of four low-dimensional NIR-luminescence-tunable Yb(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14009","14015","10.1039/c4dt01601g","","","0.71073","MoKα","","0.0442","0.0362","","","0.076","0.0809","","","","","","1.032","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031778","9.9021","0.0007","27.824","0.002","7.5624","0.0006","90","","90","","90","","2083.6","0.3","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C18 H24 Co N2 O10 -","- C18 H17 Co N2 O10 -","- C72 H68 Co4 N8 O40 -","4","0.25","","Chen, Chao; Zhang, Jun; Li, Guanghua; Shen, Pan; Jin, Haichao; Zhang, Ning","Two coordination polymers constructed from a multidentate carboxylic acid ligand with a tertiary amine serve as acid-base catalysts for the synthesis of chloropropene carbonate from CO2 under atmospheric pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13965","13971","10.1039/c4dt00908h","","","0.71073","MoKα","","0.0617","0.051","","","0.1533","0.1654","","","","","","1.072","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031779","9.9158","0.0002","27.7237","0.0005","7.4582","0.0001","90","","90","","90","","2050.28","0.06","296","2","296","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C18 H24 N2 Ni O10 -","- C17.7 H17 N2 Ni O8 -","- C70.8 H68 N8 Ni4 O32 -","4","0.25","","Chen, Chao; Zhang, Jun; Li, Guanghua; Shen, Pan; Jin, Haichao; Zhang, Ning","Two coordination polymers constructed from a multidentate carboxylic acid ligand with a tertiary amine serve as acid-base catalysts for the synthesis of chloropropene carbonate from CO2 under atmospheric pressure.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13965","13971","10.1039/c4dt00908h","","","0.71073","MoKα","","0.0476","0.0383","","","0.12","0.1422","","","","","","1.067","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031780","10.7143","0.0009","7.5271","0.0007","10.4913","0.0009","90","","90","","90","","846.1","0.13","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Eu3 Na15 O36 Si12 -","- Eu3 Na15 O36 Si12 -","- Eu3 Na15 O36 Si12 -","1","0.125","","Liu, Wei; Ji, Ying; Bao, Xinjian; Wang, Ying; Li, Benxian; Wang, Xiaofeng; Zhao, Xudong; Liu, Xiaoyang; Feng, Shouhua","Novel open-framework europium silicates prepared under high-temperature and high-pressure conditions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13892","13898","10.1039/c4dt01707b","","","0.71073","MoKα","","0.0309","0.0288","","","0.1068","0.1094","","","","","","1.004","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031781","11.6796","0.0008","8.5399","0.0006","11.7874","0.0008","90","","112.72","0.001","90","","1084.48","0.13","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Eu F K2 O10 Si4 -","- Eu F K2 O10 Si4 -","- Eu4 F4 K8 O40 Si16 -","4","1","","Liu, Wei; Ji, Ying; Bao, Xinjian; Wang, Ying; Li, Benxian; Wang, Xiaofeng; Zhao, Xudong; Liu, Xiaoyang; Feng, Shouhua","Novel open-framework europium silicates prepared under high-temperature and high-pressure conditions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13892","13898","10.1039/c4dt01707b","","","0.71073","MoKα","","0.0299","0.0282","","","0.0794","0.0804","","","","","","1.065","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031782","29.3801","0.0018","12.5765","0.0008","33.827","0.002","90","","90","","90","","12499","1.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Cl N O P2 Ru -","- C36 H36 Cl N O P2 Ru -","- C576 H576 Cl16 N16 O16 P32 Ru16 -","16","2","","Ramaraj, A.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Contrasting reactivity behaviour of the [RuHCl(CO)(PNP)] complex with electrophilic reagents XOTf (X = H, CH3, Me3Si).","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14625","14635","10.1039/c4dt01570c","","","0.71073","MoKα","","0.0788","0.0497","","","0.1025","0.115","","","","","","1.026","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031783","14.9117","0.0006","14.9117","0.0006","15.5134","0.0007","90","","90","","90","","3449.5","0.3","100","2","100","2","","","","","","","","8","P 41","P 4w","76","","[RuH(OTf)(CO)(PNP)]","","- C37 H36 F3 N O4 P2 Ru S -","- C37 H36 F3 N O4 P2 Ru S -","- C148 H144 F12 N4 O16 P8 Ru4 S4 -","4","1","","Ramaraj, A.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Contrasting reactivity behaviour of the [RuHCl(CO)(PNP)] complex with electrophilic reagents XOTf (X = H, CH3, Me3Si).","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14625","14635","10.1039/c4dt01570c","","","0.71073","MoKα","","0.1073","0.058","","","0.1012","0.1199","","","","","","0.932","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031784","15.1259","0.0008","15.7972","0.0008","17.4231","0.0009","99.786","0.002","114.09","0.002","101.889","0.002","3565.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H68 Cl2 N8 O19 S5 Zn2 -","- C50 H50 Cl N8 O16 S2 Zn2 -","- C100 H100 Cl2 N16 O32 S4 Zn4 -","2","1","","Wang, Junfeng; Liu, Bin; Liu, Xiumin; Panzner, Matthew J.; Wesdemiotis, Chrys; Pang, Yi","A binuclear Zn(ii)-Zn(ii) complex from a 2-hydroxybenzohydrazide-derived Schiff base for selective detection of pyrophosphate.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14142","14146","10.1039/c4dt01799d","","","0.71073","MoKα","","0.0722","0.0617","","","0.1742","0.1819","","","","","","1.081","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031785","14.6315","0.0016","24.776","0.003","33.169","0.004","90","","90","","90","","12024","2","296","2","296","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C48 H46 Cl4 Cu4 N14 O28 -","- C48 H40 Cl4 Cu4 N14 O28 -","- C384 H320 Cl32 Cu32 N112 O224 -","8","","","Ma, Yu; Cheng, Ai-Ling; Tang, Bo; Gao, En-Qing","Copper(ii) coordination polymers with azide and bipyridine-based zwitterionic carboxylate ligands: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13957","13964","10.1039/c4dt01722f","","","0.71073","MoKα","","0.0688","0.0573","","","0.1519","0.1578","","","","","","1.181","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031786","10.677","0.002","11.349","0.002","13.181","0.003","115.25","0.03","96.79","0.03","106.4","0.03","1332.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cu7 N46 O4 -","- C28 H28 Cu7 N46 O4 -","- C28 H28 Cu7 N46 O4 -","1","0.5","","Ma, Yu; Cheng, Ai-Ling; Tang, Bo; Gao, En-Qing","Copper(ii) coordination polymers with azide and bipyridine-based zwitterionic carboxylate ligands: structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13957","13964","10.1039/c4dt01722f","","","0.71073","MoKα","","0.0627","0.0376","","","0.0797","0.0855","","","","","","0.861","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031787","7.9858","0.0016","8.3733","0.0017","14.325","0.003","93.98","0.03","96.26","0.03","113.76","0.03","864.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 Co F11 N6 Ti2 -","- C6 H24 Co F11 N6 Ti2 -","- C12 H48 Co2 F22 N12 Ti4 -","2","1","","Du, Yu; Yu, Jihong; Hong, Xueming; Li, Xuejin; Tian, Xiaoqing","Charge transfer from cobaltammine complex cations to metal fluoride anions in molecular solids with novel photoelectronic effects (metal: zirconium, titanium).","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14039","14044","10.1039/c4dt01543f","","","0.71073","MoKα","","0.1122","0.0634","","","0.1557","0.1889","","","","","","1.053","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031788","21.592","0.004","13.944","0.003","18.92","0.004","90","","99.21","0.03","90","","5623","2","293","2","293","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C18 H59 Cl Co F6 N6 O3.5 P0 Si0 Zr -","- C18 H42 Cl Co F6 N6 O3.5 Zr -","- C144 H336 Cl8 Co8 F48 N48 O28 Zr8 -","8","1","","Du, Yu; Yu, Jihong; Hong, Xueming; Li, Xuejin; Tian, Xiaoqing","Charge transfer from cobaltammine complex cations to metal fluoride anions in molecular solids with novel photoelectronic effects (metal: zirconium, titanium).","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14039","14044","10.1039/c4dt01543f","","","0.71073","MoKα","","0.1614","0.1406","","","0.4438","0.4743","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031789","4.2609","0.0002","6.5644","0.0004","11.3523","0.0007","90","","90.511","0.002","90","","317.51","0.03","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- F Mo2 O7 Y -","- F Mo2 O7 Y -","- F2 Mo4 O14 Y2 -","2","0.5","","Hartenbach, Ingo; Höppe, Henning A; Kazmierczak, Karolina; Schleid, Thomas","Synthesis, crystal structure and spectroscopic properties of a novel yttrium(iii) fluoride dimolybdate(vi): YFMo2O7.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14016","14021","10.1039/c4dt01066c","","","0.71073","MoKα","","0.021","0.0209","","","0.0527","0.0527","","","","","","1.088","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031790","19.6084","0.0007","11.0986","0.0004","18.1627","0.0006","90","","106.227","0.001","90","","3795.2","0.2","143","1","143","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H56 Ce K N4 Si8 -","- C16 H56 Ce K N4 Si8 -","- C64 H224 Ce4 K4 N16 Si32 -","4","0.5","","Williams, Ursula J.; Schneider, David; Dorfner, Walter L.; Maichle-Mössmer, Cäcilia; Carroll, Patrick J.; Anwander, Reiner; Schelter, Eric J.","Variation of electronic transitions and reduction potentials of cerium(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16197","16206","10.1039/c4dt01386g","","","0.71073","MoKα","","0.0175","0.0158","","","0.0404","0.0419","","","","","","1.125","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031791","12.4757","0.0007","14.8427","0.0009","16.6276","0.0009","90","","96.25","0.002","90","","3060.7","0.3","143","1","143","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H46 Ce N2 O4 -","- C26 H46 Ce N2 O4 -","- C104 H184 Ce4 N8 O16 -","4","0.5","","Williams, Ursula J.; Schneider, David; Dorfner, Walter L.; Maichle-Mössmer, Cäcilia; Carroll, Patrick J.; Anwander, Reiner; Schelter, Eric J.","Variation of electronic transitions and reduction potentials of cerium(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16197","16206","10.1039/c4dt01386g","","","0.71073","MoKα","","0.0179","0.0166","","","0.0432","0.045","","","","","","1.13","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031792","22.8092","0.0009","22.1996","0.0009","24.9446","0.0009","90","","90","","90","","12630.8","0.8","100","1","100","1","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C172 H136 Ce2 O8 -","- C172 H136 Ce2 O8 -","- C688 H544 Ce8 O32 -","4","0.5","","Williams, Ursula J.; Schneider, David; Dorfner, Walter L.; Maichle-Mössmer, Cäcilia; Carroll, Patrick J.; Anwander, Reiner; Schelter, Eric J.","Variation of electronic transitions and reduction potentials of cerium(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16197","16206","10.1039/c4dt01386g","","","0.71073","MoKα","","0.0903","0.0573","","","0.1309","0.1553","","","","","","1.06","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031793","10.7924","0.0006","12.1912","0.0007","14.0728","0.0007","82.987","0.002","81.252","0.002","66.025","0.002","1668.43","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H32 Ce2 F40 O10 -","- C64 H32 Ce2 F40 O10 -","- C64 H32 Ce2 F40 O10 -","1","0.5","","Williams, Ursula J.; Schneider, David; Dorfner, Walter L.; Maichle-Mössmer, Cäcilia; Carroll, Patrick J.; Anwander, Reiner; Schelter, Eric J.","Variation of electronic transitions and reduction potentials of cerium(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16197","16206","10.1039/c4dt01386g","","","0.71073","MoKα","","0.0743","0.0422","","","0.0594","0.0657","","","","","","0.81","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031794","13.6271","0.0002","14.2125","0.0002","15.8924","0.0002","68.798","0.001","69.149","0.001","72.807","0.001","2632.04","0.07","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C118 H168 Ce2 D6 O12 -","- C118 H168 Ce2 D6 O12 -","- C118 H168 Ce2 D6 O12 -","1","0.5","","Williams, Ursula J.; Schneider, David; Dorfner, Walter L.; Maichle-Mössmer, Cäcilia; Carroll, Patrick J.; Anwander, Reiner; Schelter, Eric J.","Variation of electronic transitions and reduction potentials of cerium(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16197","16206","10.1039/c4dt01386g","","","0.71073","MoKα","","0.0545","0.041","","","0.0957","0.1019","","","","","","1.043","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031795","17.518","0.0007","9.257","0.0003","21.2687","0.0007","90","","109.371","0.002","90","","3253.8","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H39 B N2 -","- C41 H39 B N2 -","- C164 H156 B4 N8 -","4","1","","Belzile, Mei-Ni; Wang, Xiang; Hudson, Zachary M.; Wang, Suning","Impact of constitutional isomerism on phosphorescence and anion-sensing properties of donor-acceptor organoboron Pt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13696","13703","10.1039/c4dt01949k","","","0.71073","MoKα","","0.1831","0.0652","","","0.131","0.1803","","","","","","0.927","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031796","8.463","0.005","14.994","0.009","16.501","0.01","111.379","0.006","90.725","0.007","94.3","0.006","1943","2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H45 B N2 O2 Pt -","- C46 H45 B N2 O2 Pt -","- C92 H90 B2 N4 O4 Pt2 -","2","1","","Belzile, Mei-Ni; Wang, Xiang; Hudson, Zachary M.; Wang, Suning","Impact of constitutional isomerism on phosphorescence and anion-sensing properties of donor-acceptor organoboron Pt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13696","13703","10.1039/c4dt01949k","","","0.71073","MoKα","","0.1952","0.0996","","","0.2102","0.2579","","","","","","1.023","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031797","13.6042","0.0008","6.956","0.0006","16.621","0.0012","90","","111.634","0.004","90","","1462.06","0.19","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 F3 N4 O2 -","- C15 H9 F3 N4 O2 -","- C60 H36 F12 N16 O8 -","4","1","","Peuntinger, Katrin; Pilz, T. David; Staehle, Robert; Schaub, Markus; Kaufhold, Simon; Petermann, Lydia; Wunderlin, Markus; Görls, Helmar; Heinemann, Frank W.; Li, Jing; Drewello, Thomas; Vos, Johannes G.; Guldi, Dirk M.; Rau, Sven","Carbene based photochemical molecular assemblies for solar driven hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13683","13695","10.1039/c4dt01546k","","","0.71073","MoKα","","0.1242","0.0759","","","0.1943","0.2196","","","","","","1.135","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031798","11.2481","0.0003","12.1858","0.0005","12.4532","0.0006","79.993","0.002","86.406","0.002","85.159","0.002","1672.95","0.12","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N4 O1.5 -","- C20 H16.5 N4 O1.5 -","- C80 H66 N16 O6 -","4","2","","Peuntinger, Katrin; Pilz, T. David; Staehle, Robert; Schaub, Markus; Kaufhold, Simon; Petermann, Lydia; Wunderlin, Markus; Görls, Helmar; Heinemann, Frank W.; Li, Jing; Drewello, Thomas; Vos, Johannes G.; Guldi, Dirk M.; Rau, Sven","Carbene based photochemical molecular assemblies for solar driven hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13683","13695","10.1039/c4dt01546k","","","0.71073","MoKα","","0.1013","0.0558","","","0.1149","0.1337","","","","","","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031799","13.9804","0.0008","14.0396","0.0006","14.3866","0.0009","65.191","0.002","74.784","0.003","72.977","0.003","2419","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Br N4 O2 -","- C27 H21 Br N4 O2 -","- C108 H84 Br4 N16 O8 -","4","2","","Peuntinger, Katrin; Pilz, T. David; Staehle, Robert; Schaub, Markus; Kaufhold, Simon; Petermann, Lydia; Wunderlin, Markus; Görls, Helmar; Heinemann, Frank W.; Li, Jing; Drewello, Thomas; Vos, Johannes G.; Guldi, Dirk M.; Rau, Sven","Carbene based photochemical molecular assemblies for solar driven hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13683","13695","10.1039/c4dt01546k","","","0.71073","MoKα","","0.1632","0.0919","","","0.2356","0.2818","","","","","","1.026","","","","has coordinates,has disorder","180023","2020-10-21","18:00:00",""
"7031800","40.0363","0.0006","12.1313","0.0003","12.4471","0.0003","90","","90","","90","","6045.5","0.2","183","2","183","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C53.5 H70 F12 N8 O2.5 P2 Ru -","- C53.5 H68 F12 N8 O2.5 P2 Ru -","- C214 H272 F48 N32 O10 P8 Ru4 -","4","1","","Peuntinger, Katrin; Pilz, T. David; Staehle, Robert; Schaub, Markus; Kaufhold, Simon; Petermann, Lydia; Wunderlin, Markus; Görls, Helmar; Heinemann, Frank W.; Li, Jing; Drewello, Thomas; Vos, Johannes G.; Guldi, Dirk M.; Rau, Sven","Carbene based photochemical molecular assemblies for solar driven hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13683","13695","10.1039/c4dt01546k","","","0.71073","MoKα","","0.0945","0.0645","","","0.1687","0.1864","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031801","38.6452","0.0008","11.8866","0.0002","12.7938","0.0003","90","","90","","90","","5877","0.2","133","2","133","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C58 H65 F12 N9 P2 Ru -","- C58 H65 F12 N9 P2 Ru -","- C232 H260 F48 N36 P8 Ru4 -","4","1","","Peuntinger, Katrin; Pilz, T. David; Staehle, Robert; Schaub, Markus; Kaufhold, Simon; Petermann, Lydia; Wunderlin, Markus; Görls, Helmar; Heinemann, Frank W.; Li, Jing; Drewello, Thomas; Vos, Johannes G.; Guldi, Dirk M.; Rau, Sven","Carbene based photochemical molecular assemblies for solar driven hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13683","13695","10.1039/c4dt01546k","","","0.71073","MoKα","","0.0735","0.0585","","","0.1364","0.1446","","","","","","1.047","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031802","13.0496","0.0005","17.8884","0.0006","20.1331","0.0007","105.144","0.002","101.312","0.002","101.134","0.002","4297.7","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H74 Cl15 F18 N8 P3 Ru -","- C68 H74 Cl15 F18 N8 P3 Ru -","- C136 H148 Cl30 F36 N16 P6 Ru2 -","2","1","","Peuntinger, Katrin; Pilz, T. David; Staehle, Robert; Schaub, Markus; Kaufhold, Simon; Petermann, Lydia; Wunderlin, Markus; Görls, Helmar; Heinemann, Frank W.; Li, Jing; Drewello, Thomas; Vos, Johannes G.; Guldi, Dirk M.; Rau, Sven","Carbene based photochemical molecular assemblies for solar driven hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13683","13695","10.1039/c4dt01546k","","","0.71073","MoKα","","0.1262","0.0766","","","0.1813","0.2124","","","","","","1.026","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031803","50.774","0.006","14.405","0.002","32.847","0.002","90","","127.021","0.006","90","","19181","4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74.63 H84.73 Ag Cl22.58 N8 O1.28 Ru -","- C74.627 H84.727 Ag Cl22.581 N8 O1.275 Ru -","- C597.016 H677.816 Ag8 Cl180.648 N64 O10.2 Ru8 -","8","1","","Peuntinger, Katrin; Pilz, T. David; Staehle, Robert; Schaub, Markus; Kaufhold, Simon; Petermann, Lydia; Wunderlin, Markus; Görls, Helmar; Heinemann, Frank W.; Li, Jing; Drewello, Thomas; Vos, Johannes G.; Guldi, Dirk M.; Rau, Sven","Carbene based photochemical molecular assemblies for solar driven hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13683","13695","10.1039/c4dt01546k","","","0.71073","MoKα","","0.0929","0.0617","","","0.1614","0.1858","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7031804","13.7609","0.0005","13.9671","0.0005","23.3521","0.0008","100.081","0.003","100.916","0.003","107.94","0.003","4059.8","0.3","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C98 H210 Cr6 La2 N2 O46 P4 -","- C98.024 H208.626 Cr6 La2 N2 O46.006 P4 -","- C98.024 H208.626 Cr6 La2 N2 O46.006 P4 -","1","0.5","","Zangana, Karzan H.; Pineda, Eufemio Moreno; Vitorica-Yrezabal, Iñigo J; McInnes, Eric J. L.; Winpenny, Richard E. P.","Linking Cr3 triangles through phosphonates and lanthanides: synthetic, structural, magnetic and EPR studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13242","13249","10.1039/c4dt01264j","","x-ray","0.71073","MoKα","","0.1098","0.0753","","","0.2076","0.2342","","","","","","1.062","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031805","13.802","0.0007","27.527","0.002","19.718","0.002","90","","95.817","0.007","90","","7452.8","1","150.03","0.18","150.03","0.18","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100 H204 Cr6 Gd2 O50 P4 -","- C100 H204 Cr6 Gd2 O49 P4 -","- C200 H408 Cr12 Gd4 O98 P8 -","2","0.5","","Zangana, Karzan H.; Pineda, Eufemio Moreno; Vitorica-Yrezabal, Iñigo J; McInnes, Eric J. L.; Winpenny, Richard E. P.","Linking Cr3 triangles through phosphonates and lanthanides: synthetic, structural, magnetic and EPR studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13242","13249","10.1039/c4dt01264j","","","0.71073","MoKα","","0.1732","0.0777","","","0.1555","0.2048","","","","","","0.95","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031806","13.9178","0.0011","14.0369","0.0007","23.3458","0.0015","99.776","0.005","101.128","0.006","108.202","0.005","4119.7","0.5","210.06","0.16","210.06","0.16","","","","","","","","7","P -1","-P 1","2","","","","- C98 H210 Cr6 N2 O46 P4 Tb2 -","- C98.032 H208.072 Cr6 N2 O46.008 P4 Tb2 -","- C98.032 H208.072 Cr6 N2 O46.008 P4 Tb2 -","1","0.5","","Zangana, Karzan H.; Pineda, Eufemio Moreno; Vitorica-Yrezabal, Iñigo J; McInnes, Eric J. L.; Winpenny, Richard E. P.","Linking Cr3 triangles through phosphonates and lanthanides: synthetic, structural, magnetic and EPR studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13242","13249","10.1039/c4dt01264j","","","0.71073","MoKα","","0.0898","0.0664","","","0.1828","0.2045","","","","","","1.096","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031807","13.7094","0.0006","14.0352","0.0005","23.1626","0.0009","100.096","0.003","100.639","0.003","108.186","0.004","4029.8","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C98 H210 Cr6 Dy2 N2 O46 P4 -","- C98.024 H208.674 Cr6 Dy2 N2 O46.006 P4 -","- C98.024 H208.674 Cr6 Dy2 N2 O46.006 P4 -","1","0.5","","Zangana, Karzan H.; Pineda, Eufemio Moreno; Vitorica-Yrezabal, Iñigo J; McInnes, Eric J. L.; Winpenny, Richard E. P.","Linking Cr3 triangles through phosphonates and lanthanides: synthetic, structural, magnetic and EPR studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13242","13249","10.1039/c4dt01264j","","","0.71073","MoKα","","0.09","0.0661","","","0.1849","0.2052","","","","","","1.082","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031808","13.7501","0.0004","14.022","0.0005","23.1827","0.0008","100.079","0.003","100.637","0.003","108.254","0.003","4040","0.3","150.04","0.13","150.04","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C98 H210 Cr6 Ho2 N2 O46 P4 -","- C98.024 H208.054 Cr6 Ho2 N2 O46.006 P4 -","- C98.024 H208.054 Cr6 Ho2 N2 O46.006 P4 -","1","0.5","","Zangana, Karzan H.; Pineda, Eufemio Moreno; Vitorica-Yrezabal, Iñigo J; McInnes, Eric J. L.; Winpenny, Richard E. P.","Linking Cr3 triangles through phosphonates and lanthanides: synthetic, structural, magnetic and EPR studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13242","13249","10.1039/c4dt01264j","","","0.71073","MoKα","","0.0826","0.0638","","","0.1858","0.2052","","","","","","1.068","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031810","12.5645","0.0004","7.0981","0.0002","33.1512","0.001","90","","110.023","0.001","90","","2777.85","0.15","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Au(CS2N3)2]AsPh4","","","- C26 H20 As Au N6 S4 -","- C26 H20 As Au N6 S4 -","- C104 H80 As4 Au4 N24 S16 -","4","1","","Lim, Sang Ho; Schmitt, Jennifer C.; Shearer, Jason; England, Kellie R.; Olmstead, Marilyn M.; Balch, Alan L.","Formation and structure of two luminescent salts of [Au(SCSN3)2](-) obtained through the [2 + 3] cyclization of carbon disulfide and azide ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13756","13763","10.1039/c4dt01902d","","","0.71073","MoKα","","0.0375","0.0253","","","0.0488","0.0519","","","","","","1.012","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031811","3.708","0.0002","12.4015","0.0008","14.0245","0.0009","101.514","0.002","93.48","0.002","98.455","0.002","622.36","0.07","90","2","90","2","","","","","","","","7","P -1","-P 1","2","[Au(CS2N3)2]Na(H2O)3","","","- C2 H6 Au N6 Na O3 S4 -","- C2 H6 Au N6 Na O3 S4 -","- C4 H12 Au2 N12 Na2 O6 S8 -","2","1","","Lim, Sang Ho; Schmitt, Jennifer C.; Shearer, Jason; England, Kellie R.; Olmstead, Marilyn M.; Balch, Alan L.","Formation and structure of two luminescent salts of [Au(SCSN3)2](-) obtained through the [2 + 3] cyclization of carbon disulfide and azide ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13756","13763","10.1039/c4dt01902d","","","0.71073","MoKα","","0.0285","0.0223","","","0.046","0.0478","","","","","","1.007","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031812","9.1412","0.0013","9.8502","0.0017","17.91","0.004","93.263","0.018","94.429","0.017","109.92","0.02","1505.7","0.5","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C32 H36 N2 O P2 S -","- C32 H36 N2 O P2 S -","- C64 H72 N4 O2 P4 S2 -","2","1","","Del Águila-Sánchez, Miguel A; Santos-Bastos, Neidemar M; Ramalho-Freitas, Maria C; García López, Jesús; Costa de Souza, Marcos; Camargos-Resende, Jackson A L; Casimiro, María; Alves-Romeiro, Gilberto; Iglesias, María José; López Ortiz, Fernando","Synthetic, structural, NMR and catalytic studies of phosphinic amide-phosphoryl chalcogenides (chalcogen = O, S, Se) as mixed-donor bidentate ligands in zinc chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14079","14091","10.1039/c4dt01789g","","x-ray","0.71073","MoKα","","0.1062","0.0481","","","0.0949","0.1112","","","","","","0.927","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031813","10.7651","0.0004","15.5932","0.0005","17.9816","0.0006","90","","91.666","0.003","90","","3017.16","0.18","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Cl2 N O2 P2 Zn -","- C30 H33 Cl2 N O2 P2 Zn -","- C120 H132 Cl8 N4 O8 P8 Zn4 -","4","1","","Del Águila-Sánchez, Miguel A; Santos-Bastos, Neidemar M; Ramalho-Freitas, Maria C; García López, Jesús; Costa de Souza, Marcos; Camargos-Resende, Jackson A L; Casimiro, María; Alves-Romeiro, Gilberto; Iglesias, María José; López Ortiz, Fernando","Synthetic, structural, NMR and catalytic studies of phosphinic amide-phosphoryl chalcogenides (chalcogen = O, S, Se) as mixed-donor bidentate ligands in zinc chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14079","14091","10.1039/c4dt01789g","","x-ray","0.71073","MoKα","","0.0743","0.0454","","","0.1061","0.1353","","","","","","1.106","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031814","10.78","0.003","15.617","0.004","18.356","0.005","90","","93.696","0.007","90","","3083.8","1.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Cl2 N O P2 Se Zn -","- C30 H33 Cl2 N O P2 Se Zn -","- C120 H132 Cl8 N4 O4 P8 Se4 Zn4 -","4","1","","Del Águila-Sánchez, Miguel A; Santos-Bastos, Neidemar M; Ramalho-Freitas, Maria C; García López, Jesús; Costa de Souza, Marcos; Camargos-Resende, Jackson A L; Casimiro, María; Alves-Romeiro, Gilberto; Iglesias, María José; López Ortiz, Fernando","Synthetic, structural, NMR and catalytic studies of phosphinic amide-phosphoryl chalcogenides (chalcogen = O, S, Se) as mixed-donor bidentate ligands in zinc chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14079","14091","10.1039/c4dt01789g","","","0.71073","MoKα","","0.0749","0.0531","","","0.101","0.1084","","","","","","1.063","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031815","10.7119","0.0003","15.7322","0.0007","18.1799","0.0007","90","","93.429","0.003","90","","3058.2","0.2","150","2","150","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Cl2 N O P2 S Zn -","- C30 H33 Cl2 N O P2 S Zn -","- C120 H132 Cl8 N4 O4 P8 S4 Zn4 -","4","1","","Del Águila-Sánchez, Miguel A; Santos-Bastos, Neidemar M; Ramalho-Freitas, Maria C; García López, Jesús; Costa de Souza, Marcos; Camargos-Resende, Jackson A L; Casimiro, María; Alves-Romeiro, Gilberto; Iglesias, María José; López Ortiz, Fernando","Synthetic, structural, NMR and catalytic studies of phosphinic amide-phosphoryl chalcogenides (chalcogen = O, S, Se) as mixed-donor bidentate ligands in zinc chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14079","14091","10.1039/c4dt01789g","","x-ray","0.71073","MoKα","","0.0402","0.0307","","","0.081","0.0894","","","","","","1.143","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031816","8.3973","0.0011","12.1375","0.0014","18.422","0.002","103.273","0.006","93.615","0.007","92.848","0.006","1819.8","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H50 Si2 -","- C44 H50 Si2 -","- C88 H100 Si4 -","2","1","","Morton, Jason G. M.; Al-Shammari, Haif; Sun, Yunshan; Zhu, Jiangtao; Stephan, Douglas W.","1,1-Olefin-bridged bis-(2-indenyl) metallocenes of titanium and zirconium.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13219","13231","10.1039/c4dt01583e","","","0.71073","MoKα","","0.0694","0.0451","","","0.1062","0.1202","","","","","","1.043","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031817","20.627","0.005","15.99","0.005","25.582","0.007","90","","96.08","0.03","90","","8390","4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C108 H70 Cl8 Ti3 -","- C108 H70 Cl8 Ti3 -","- C432 H280 Cl32 Ti12 -","4","0.5","","Morton, Jason G. M.; Al-Shammari, Haif; Sun, Yunshan; Zhu, Jiangtao; Stephan, Douglas W.","1,1-Olefin-bridged bis-(2-indenyl) metallocenes of titanium and zirconium.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13219","13231","10.1039/c4dt01583e","","","0.71073","MoKα","","0.1229","0.0574","","","0.1607","0.2183","","","","","","0.728","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031818","10.2021","0.0009","9.6547","0.0008","30.541","0.003","90","","90","","90","","3008.2","0.5","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C38 H26 Cl2 Zr -","- C38 H26 Cl2 Zr -","- C152 H104 Cl8 Zr4 -","4","0.5","","Morton, Jason G. M.; Al-Shammari, Haif; Sun, Yunshan; Zhu, Jiangtao; Stephan, Douglas W.","1,1-Olefin-bridged bis-(2-indenyl) metallocenes of titanium and zirconium.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13219","13231","10.1039/c4dt01583e","","","0.71073","MoKα","","0.0935","0.0623","","","0.1416","0.1525","","","","","","0.962","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031819","10.1722","0.0009","10.6755","0.001","13.8213","0.0011","83.362","0.004","72.459","0.004","72.561","0.004","1364.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 Cl4 Ti -","- C33 H24 Cl4 Ti -","- C66 H48 Cl8 Ti2 -","2","1","","Morton, Jason G. M.; Al-Shammari, Haif; Sun, Yunshan; Zhu, Jiangtao; Stephan, Douglas W.","1,1-Olefin-bridged bis-(2-indenyl) metallocenes of titanium and zirconium.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13219","13231","10.1039/c4dt01583e","","","0.71073","MoKα","","0.0527","0.0399","","","0.0938","0.1001","","","","","","1.052","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031820","11.519","","23.219","","11.225","","90","","92.85","","90","","2998.52","","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Cl2 Zr -","- C38 H28 Cl2 Zr -","- C152 H112 Cl8 Zr4 -","4","1","","Morton, Jason G. M.; Al-Shammari, Haif; Sun, Yunshan; Zhu, Jiangtao; Stephan, Douglas W.","1,1-Olefin-bridged bis-(2-indenyl) metallocenes of titanium and zirconium.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13219","13231","10.1039/c4dt01583e","","","0.71073","MoKα","","0.0724","0.0402","","","0.0897","0.1019","","","","","","1.032","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031821","10.312","0.003","20.895","0.008","10.999","0.004","90","","110.539","0.015","90","","2219.3","1.4","160","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 Ti -","- C26 H26 Cl2 Ti -","- C104 H104 Cl8 Ti4 -","4","1","","Morton, Jason G. M.; Al-Shammari, Haif; Sun, Yunshan; Zhu, Jiangtao; Stephan, Douglas W.","1,1-Olefin-bridged bis-(2-indenyl) metallocenes of titanium and zirconium.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13219","13231","10.1039/c4dt01583e","","","0.71073","MoKα","","0.1274","0.0702","","","0.1693","0.2051","","","","","","1.012","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031822","9.7792","0.0005","18.3385","0.0009","15.3858","0.0008","90","","103.06","0.002","90","","2687.9","0.2","150","2","150","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 -","- C40 H32 -","- C160 H128 -","4","1","","Morton, Jason G. M.; Al-Shammari, Haif; Sun, Yunshan; Zhu, Jiangtao; Stephan, Douglas W.","1,1-Olefin-bridged bis-(2-indenyl) metallocenes of titanium and zirconium.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13219","13231","10.1039/c4dt01583e","","","0.71073","MoKα","","0.1009","0.0505","","","0.0967","0.114","","","","","","1.006","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031823","8.6369","0.0005","11.7633","0.0008","33.907","0.002","90","","90","","90","","3444.9","0.4","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H41 Cl2 Zr -","- C39 H40.5 Cl2 Zr -","- C156 H162 Cl8 Zr4 -","4","0.5","","Morton, Jason G. M.; Al-Shammari, Haif; Sun, Yunshan; Zhu, Jiangtao; Stephan, Douglas W.","1,1-Olefin-bridged bis-(2-indenyl) metallocenes of titanium and zirconium.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13219","13231","10.1039/c4dt01583e","","","0.71073","MoKα","","0.1134","0.1008","","","0.2372","0.2457","","","","","","1.251","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031824","8.931","0.0004","13.105","0.0007","23.2702","0.0011","90","","91.581","0.003","90","","2722.5","0.2","150","2","150","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H34 -","- C38.5 H34 -","- C154 H136 -","4","1","","Morton, Jason G. M.; Al-Shammari, Haif; Sun, Yunshan; Zhu, Jiangtao; Stephan, Douglas W.","1,1-Olefin-bridged bis-(2-indenyl) metallocenes of titanium and zirconium.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13219","13231","10.1039/c4dt01583e","","","0.71073","MoKα","","0.0788","0.0569","","","0.1408","0.1555","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031825","15.6928","0.0011","12.8853","0.001","16.2474","0.0012","90","","113.001","0.002","90","","3024.1","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H34 Zr -","- C42.5 H34 Zr -","- C170 H136 Zr4 -","4","1","","Morton, Jason G. M.; Al-Shammari, Haif; Sun, Yunshan; Zhu, Jiangtao; Stephan, Douglas W.","1,1-Olefin-bridged bis-(2-indenyl) metallocenes of titanium and zirconium.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13219","13231","10.1039/c4dt01583e","","","0.71073","MoKα","","0.0531","0.0339","","","0.069","0.0766","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031826","8.6065","0.0003","9.5595","0.0005","9.5987","0.0005","77.884","0.004","82.744","0.004","87.356","0.004","765.79","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H18 Co2 N3 O12 S -","- C7 H18 Co2 N3 O12 S -","- C14 H36 Co4 N6 O24 S2 -","2","1","","Wang, Kangcai; Luo, Daibing; Xu, Dingguo; Guo, Furong; Liu, Lin; Lin, Zhien","New open-framework cobalt sulfate-oxalates based on molecular and chain-like building blocks.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13476","13479","10.1039/c4dt01503g","","","0.71073","MoKα","","0.0327","0.0266","","","0.0606","0.0638","","","","","","1.056","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031827","8.4331","0.0006","9.4691","0.0005","9.5144","0.0005","71.522","0.005","64.356","0.006","89.622","0.005","642","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 Co1.5 N3 O8 S -","- C8 H16 Co1.5 N3 O8 S -","- C16 H32 Co3 N6 O16 S2 -","2","1","","Wang, Kangcai; Luo, Daibing; Xu, Dingguo; Guo, Furong; Liu, Lin; Lin, Zhien","New open-framework cobalt sulfate-oxalates based on molecular and chain-like building blocks.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13476","13479","10.1039/c4dt01503g","","","0.71073","MoKα","","0.039","0.0311","","","0.0674","0.0704","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031828","19.5778","0.0019","18.3702","0.0017","19.5431","0.0019","90","","93.406","0.002","90","","7016.2","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H60.48 B18 N10 O65.24 V12 -","- C3 H18 B18 N10 O65.24 V12 -","- C12 H72 B72 N40 O260.96 V48 -","4","0.5","","Hermosilla-Ibáñez, Patricio; Cañon-Mancisidor, Walter; Costamagna, Juan; Vega, Andrés; Paredes-García, Verónica; Garland, Maria Teresa; Le Fur, Eric; Cador, Olivier; Spodine, Evgenia; Venegas-Yazigi, Diego","Crystal lattice effect on the quenching of the intracluster magnetic interaction in [V12B18O60H6](10-) polyoxometalate.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14132","14141","10.1039/c4dt01561d","","","0.71073","MoKα","","0.0743","0.0638","","","0.2038","0.2119","","","","","","1.073","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031829","19.1919","0.0018","18.1864","0.0017","19.2584","0.0018","90","","90","","90","","6721.8","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- B9 H25 K4 N O39 V6 -","- B9 K4 N O39 V6 -","- B72 K32 N8 O312 V48 -","8","1","","Hermosilla-Ibáñez, Patricio; Cañon-Mancisidor, Walter; Costamagna, Juan; Vega, Andrés; Paredes-García, Verónica; Garland, Maria Teresa; Le Fur, Eric; Cador, Olivier; Spodine, Evgenia; Venegas-Yazigi, Diego","Crystal lattice effect on the quenching of the intracluster magnetic interaction in [V12B18O60H6](10-) polyoxometalate.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14132","14141","10.1039/c4dt01561d","","","0.71073","MoKα","","0.0701","0.0644","","","0.1835","0.19","","","","","","1.135","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031830","13.1294","0.0019","19.973","0.003","13.4315","0.0019","90","","115.079","0.002","90","","3190.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B9 H12.5 K5 O34.75 V6 -","- B9 K5 O34.75 V6 -","- B36 K20 O139 V24 -","4","1","","Hermosilla-Ibáñez, Patricio; Cañon-Mancisidor, Walter; Costamagna, Juan; Vega, Andrés; Paredes-García, Verónica; Garland, Maria Teresa; Le Fur, Eric; Cador, Olivier; Spodine, Evgenia; Venegas-Yazigi, Diego","Crystal lattice effect on the quenching of the intracluster magnetic interaction in [V12B18O60H6](10-) polyoxometalate.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14132","14141","10.1039/c4dt01561d","","","0.71073","MoKα","","0.0659","0.0547","","","0.165","0.1759","","","","","","1.108","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031831","19.4188","0.0014","18.6745","0.0014","19.3128","0.0014","90","","91.944","0.001","90","","6999.5","0.9","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B36 Cs4 H53.6 K16 O140.8 V24 -","- B36 Cs4 K16 O140.8 V24 -","- B72 Cs8 K32 O281.6 V48 -","2","0.25","","Hermosilla-Ibáñez, Patricio; Cañon-Mancisidor, Walter; Costamagna, Juan; Vega, Andrés; Paredes-García, Verónica; Garland, Maria Teresa; Le Fur, Eric; Cador, Olivier; Spodine, Evgenia; Venegas-Yazigi, Diego","Crystal lattice effect on the quenching of the intracluster magnetic interaction in [V12B18O60H6](10-) polyoxometalate.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14132","14141","10.1039/c4dt01561d","","","0.71073","MoKα","","0.0837","0.077","","","0.2264","0.2358","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031832","24.132","0.004","15.619","0.003","48.35","0.008","90","","97.681","0.002","90","","18060","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C86 H73 Au3 N Ni12 O18 P3 -","- C86 H73 Au3 N Ni12 O18 P3 -","- C688 H584 Au24 N8 Ni96 O144 P24 -","8","1","","Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Peraurated nickel carbide carbonyl clusters: the cationic [Ni6(C)(CO)8(AuPPh3)8](2+) monocarbide and the [Ni12(C)(C2)(CO)17(AuPPh3)3](-) anion containing one carbide and one acetylide unit.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13471","13475","10.1039/c4dt01849d","","","0.71073","MoKα","","0.0489","0.0412","","","0.0965","0.1004","","","","","","1.064","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031833","23.337","0.003","23.337","0.003","14.2514","0.0018","90","","90","","90","","7761.5","1.7","100","2","100","2","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C153 H120 Au8 B2 F8 Ni6 O8 P8 -","- C153 H120 Au8 B2 F8 Ni6 O8 P8 -","- C306 H240 Au16 B4 F16 Ni12 O16 P16 -","2","0.25","","Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Peraurated nickel carbide carbonyl clusters: the cationic [Ni6(C)(CO)8(AuPPh3)8](2+) monocarbide and the [Ni12(C)(C2)(CO)17(AuPPh3)3](-) anion containing one carbide and one acetylide unit.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13471","13475","10.1039/c4dt01849d","","","0.71073","MoKα","","0.1537","0.0619","","","0.1351","0.1726","","","","","","1.005","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031834","15.245","0.003","16.34","0.003","16.867","0.003","116.77","0.03","105.89","0.03","95.67","0.03","3485.2","1.9","213","2","213","2","","","","","","","","7","P 1","P 1","1","[Ni2LMe(mu-L-prolinato)]BPh4","","","- C67 H92 B N7 Ni2 O2 S2 -","- C67 H92 B N7 Ni2 O2 S2 -","- C134 H184 B2 N14 Ni4 O4 S4 -","2","2","","Schnitter, Roland; Gallego, Daniel; Kersting, Berthold","Selective complexation of α-amino acids and simple peptides via their carboxylate groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13637","13648","10.1039/c4dt02007c","","","0.71073","MoKα","","0.0419","0.0347","","","0.1003","0.1026","","","","","","0.991","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031835","14.0485","0.0004","15.2778","0.0004","16.2737","0.0003","113.857","0.002","97.723","0.002","111.779","0.002","2795.05","0.15","130","2","130","2","","","","","","","","7","P 1","P 1","1","[Ni2LMe(mu-L-tyrosinato)]ClO4x2.25MeCN","","","- C51.5 H80.75 Cl N9.25 Ni2 O7 S2 -","- C51.5 H80.75 Cl N9.25 Ni2 O7 S2 -","- C103 H161.5 Cl2 N18.5 Ni4 O14 S4 -","2","2","","Schnitter, Roland; Gallego, Daniel; Kersting, Berthold","Selective complexation of α-amino acids and simple peptides via their carboxylate groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13637","13648","10.1039/c4dt02007c","","","0.71073","MoKα","","0.0465","0.0347","","","0.0877","0.0943","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031836","14.872","0.003","16.889","0.003","17.068","0.003","97.83","0.03","105.66","0.03","115.48","0.03","3565.9","1.9","213","2","213","2","","","","","","","","7","P 1","P 1","1","","","","- C72 H101 B N10 Ni2 O3 S2 -","- C72 H101 B N10 Ni2 O3 S2 -","- C144 H202 B2 N20 Ni4 O6 S4 -","2","2","","Schnitter, Roland; Gallego, Daniel; Kersting, Berthold","Selective complexation of α-amino acids and simple peptides via their carboxylate groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13637","13648","10.1039/c4dt02007c","","","0.71073","MoKα","","0.0729","0.0323","","","0.0646","0.0693","","","","","","0.718","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031837","7.6607","0.0003","7.4928","0.0003","20.2477","0.0007","90","","92.516","0.0011","90","","1161.1","0.08","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cu N6 O3 -","- C11 H8 Cu N6 O3 -","- C44 H32 Cu4 N24 O12 -","4","1","","Tan, Da-Wei; Xie, Jing-Bo; Li, Qi; Li, Hong-Xi; Li, Jun-Chi; Li, Hai-Yan; Lang, Jian-Ping","Syntheses and structures of copper complexes of 3-(6-(1H-pyrazol-1-yl)pyridin-2-yl)pyrazol-1-ide and their excellent performance in the syntheses of nitriles and aldehydes.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14061","14071","10.1039/c4dt01765j","","","0.71073","MoKα","","0.0474","0.0411","","","0.1048","0.1096","","","","","","1.033","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031838","7.9591","0.0006","8.4441","0.0005","9.941","0.0005","97.366","0.004","91.381","0.005","102.354","0.006","646.34","0.07","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cl2 Cu2 N10 O8 -","- C22 H16 Cl2 Cu2 N10 O8 -","- C22 H16 Cl2 Cu2 N10 O8 -","1","0.5","","Tan, Da-Wei; Xie, Jing-Bo; Li, Qi; Li, Hong-Xi; Li, Jun-Chi; Li, Hai-Yan; Lang, Jian-Ping","Syntheses and structures of copper complexes of 3-(6-(1H-pyrazol-1-yl)pyridin-2-yl)pyrazol-1-ide and their excellent performance in the syntheses of nitriles and aldehydes.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14061","14071","10.1039/c4dt01765j","","","0.71073","MoKα","","0.0826","0.0693","","","0.1807","0.1924","","","","","","1.092","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031839","10.6914","0.0003","16.1312","0.0003","15.999","0.0003","90","","103.456","0.002","90","","2683.52","0.11","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cu2 N10 O6 S -","- C24 H24 Cu2 N10 O6 S -","- C96 H96 Cu8 N40 O24 S4 -","4","1","","Tan, Da-Wei; Xie, Jing-Bo; Li, Qi; Li, Hong-Xi; Li, Jun-Chi; Li, Hai-Yan; Lang, Jian-Ping","Syntheses and structures of copper complexes of 3-(6-(1H-pyrazol-1-yl)pyridin-2-yl)pyrazol-1-ide and their excellent performance in the syntheses of nitriles and aldehydes.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14061","14071","10.1039/c4dt01765j","","","1.54184","CuKα","","0.0466","0.0374","","","0.0986","0.1058","","","","","","1.023","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031840","10.4435","0.0009","8.0268","0.0007","15.2314","0.0013","90","","95.37","0.008","90","","1271.21","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl2 Cu N5 -","- C11 H9 Cl2 Cu N5 -","- C44 H36 Cl8 Cu4 N20 -","4","1","","Tan, Da-Wei; Xie, Jing-Bo; Li, Qi; Li, Hong-Xi; Li, Jun-Chi; Li, Hai-Yan; Lang, Jian-Ping","Syntheses and structures of copper complexes of 3-(6-(1H-pyrazol-1-yl)pyridin-2-yl)pyrazol-1-ide and their excellent performance in the syntheses of nitriles and aldehydes.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14061","14071","10.1039/c4dt01765j","","","0.71073","MoKα","","0.0946","0.0768","","","0.1907","0.1996","","","","","","1.078","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031841","16.17","0.005","10.516","0.003","16.232","0.005","90","","108.588","0.008","90","","2616.2","1.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cu3 I3 N10 -","- C22 H16 Cu3 I3 N10 -","- C88 H64 Cu12 I12 N40 -","4","0.5","","Tan, Da-Wei; Xie, Jing-Bo; Li, Qi; Li, Hong-Xi; Li, Jun-Chi; Li, Hai-Yan; Lang, Jian-Ping","Syntheses and structures of copper complexes of 3-(6-(1H-pyrazol-1-yl)pyridin-2-yl)pyrazol-1-ide and their excellent performance in the syntheses of nitriles and aldehydes.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14061","14071","10.1039/c4dt01765j","","","0.71073","MoKα","","0.0408","0.0313","","","0.082","0.0863","","","","","","1.053","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031842","10.3932","0.0004","20.4318","0.0007","32.1985","0.0013","90","","98.685","0.002","90","","6759","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H94 Cu N12 O6 -","- C58 H94 Cu N12 O6 -","- C232 H376 Cu4 N48 O24 -","4","1","","Gajewska, Małgorzata J; Ching, Wei-Min; Wen, Yuh-Sheng; Hung, Chen-Hsiung","Synthesis, structure, and catecholase activity of bispyrazolylacetate copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14726","14736","10.1039/c4dt01467g","","","0.71073","MoKα","","0.1736","0.0972","","","0.215","0.2422","","","","","","1.14","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031843","10.945","0.002","31.194","0.006","18.956","0.004","90","","100.6","0.03","90","","6361","2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H106 Cu N12 O10 -","- C52 H94 Cu N12 O10 -","- C208 H376 Cu4 N48 O40 -","4","1","","Gajewska, Małgorzata J; Ching, Wei-Min; Wen, Yuh-Sheng; Hung, Chen-Hsiung","Synthesis, structure, and catecholase activity of bispyrazolylacetate copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14726","14736","10.1039/c4dt01467g","","","0.71073","MoKα","","0.1307","0.0737","","","0.2006","0.2357","","","","","","1.038","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031844","31.3645","0.0005","10.4436","0.0002","18.7587","0.0002","90","","90","","90","","6144.57","0.17","100","0.1","100","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C55 H102 Cu N10 O7 -","- C54 H98 Cu N10 O6 -","- C216 H392 Cu4 N40 O24 -","4","0.5","","Gajewska, Małgorzata J; Ching, Wei-Min; Wen, Yuh-Sheng; Hung, Chen-Hsiung","Synthesis, structure, and catecholase activity of bispyrazolylacetate copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14726","14736","10.1039/c4dt01467g","","","0.71073","MoKα","","0.0805","0.0646","","","0.1956","0.2106","","","","","","1.043","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031845","10.4227","0.0004","13.0591","0.0007","15.0888","0.0006","79.592","0.004","89.648","0.003","66.674","0.003","1850","0.15","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C73 H107 Cu N13 O6 -","- C68 H98 Cu N12 O4 -","- C68 H98 Cu N12 O4 -","1","0.5","","Gajewska, Małgorzata J; Ching, Wei-Min; Wen, Yuh-Sheng; Hung, Chen-Hsiung","Synthesis, structure, and catecholase activity of bispyrazolylacetate copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14726","14736","10.1039/c4dt01467g","","","0.71073","MoKα","","0.1106","0.0664","","","0.1904","0.2023","","","","","","0.984","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031846","15.7877","0.0009","18.5432","0.0012","17.9411","0.0011","90","","114.444","0.004","90","","4781.6","0.5","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H154 Cu N12 O10 -","- C90 H154 Cu N12 O10 -","- C180 H308 Cu2 N24 O20 -","2","0.5","","Gajewska, Małgorzata J; Ching, Wei-Min; Wen, Yuh-Sheng; Hung, Chen-Hsiung","Synthesis, structure, and catecholase activity of bispyrazolylacetate copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14726","14736","10.1039/c4dt01467g","","","0.71073","MoKα","","0.2005","0.0768","","","0.1652","0.2225","","","","","","1","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031847","7.873","0.005","13.741","0.005","15.723","0.005","71.249","0.005","77.923","0.005","76.403","0.005","1548.9","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 K N6 O11 Pd2 -","- C24 H25 K N6 O11 Pd2 -","- C48 H50 K2 N12 O22 Pd4 -","2","1","","Mrkalić, Emina M; Jelić, Ratomir M; Klisurić, Olivera R; Matović, Zoran D","Synthesis of novel palladium(ii) complexes with oxalic acid diamide derivatives and their interaction with nucleosides and proteins. Structural, solution, and computational study.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15126","15137","10.1039/c3dt53384k","","","0.71073","MoKα","","0.0909","0.0763","","","0.1955","0.2047","","","","","","1.118","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031848","14.2172","0.0009","27.711","0.002","25.4221","0.0017","90","","96.1053","0.0019","90","","9958.8","1.2","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H142 Co5 Gd3 N2 O35 -","- C76 H142 Co5 Gd3 N2 O35 -","- C304 H568 Co20 Gd12 N8 O140 -","4","0.5","","Sheikh, Javeed Ahmad; Goswami, Soumyabrata; Konar, Sanjit","Modulating the magnetic properties by structural modification in a family of Co-Ln (Ln = Gd, Dy) molecular aggregates.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14577","14585","10.1039/c4dt01791a","","","0.71073","MoKα","","0.0622","0.0588","","","0.2075","0.21","","","","","","1.056","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031849","14.1684","0.0007","27.6583","0.0016","25.4178","0.0013","90","","96.0392","0.0015","90","","9905.3","0.9","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H142 Co5 Dy3 N2 O35 -","- C76 H142 Co5 Dy3 N2 O35 -","- C304 H568 Co20 Dy12 N8 O140 -","4","0.5","","Sheikh, Javeed Ahmad; Goswami, Soumyabrata; Konar, Sanjit","Modulating the magnetic properties by structural modification in a family of Co-Ln (Ln = Gd, Dy) molecular aggregates.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14577","14585","10.1039/c4dt01791a","","","0.71073","MoKα","","0.0587","0.0513","","","0.15","0.1533","","","","","","1.103","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031850","14.9","0.003","31.505","0.005","19.332","0.003","90","","103.363","0.004","90","","8829","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H105 Co3 Gd3 N5 O33 -","- C54 H105 Co3 Gd3 N5 O33 -","- C216 H420 Co12 Gd12 N20 O132 -","4","1","","Sheikh, Javeed Ahmad; Goswami, Soumyabrata; Konar, Sanjit","Modulating the magnetic properties by structural modification in a family of Co-Ln (Ln = Gd, Dy) molecular aggregates.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14577","14585","10.1039/c4dt01791a","","","0.71073","MoKα","","0.1214","0.0949","","","0.2209","0.2273","","","","","","1.123","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031851","16.173","0.005","16.173","0.005","54.305","0.005","90","0.005","90","0.005","120","0.005","12301","6","110","2","110","2","","","","","","","","6","P 61","P 61","169","","","","- C58 H111 Co3 Dy3 N7 O31 -","- C57.99 H111 Co3 Dy3 N7 O31 -","- C347.94 H666 Co18 Dy18 N42 O186 -","6","1","","Sheikh, Javeed Ahmad; Goswami, Soumyabrata; Konar, Sanjit","Modulating the magnetic properties by structural modification in a family of Co-Ln (Ln = Gd, Dy) molecular aggregates.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14577","14585","10.1039/c4dt01791a","","","0.71073","MoKα","","0.057","0.0522","","","0.1044","0.106","","","","","","1.064","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031852","18.2255","0.0006","13.2449","0.0009","16.4934","0.0005","90","","90","","90","","3981.4","0.3","123","2","123","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C39 H59 N O7 V -","- C39 H59 N O7 V -","- C156 H236 N4 O28 V4 -","4","1","","Hänninen, M M; Peuronen, A.; Damlin, P.; Tyystjärvi, V; Kivelä, H; Lehtonen, A.","Vanadium complexes with multidentate amine bisphenols.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14022","14028","10.1039/c4dt01007h","","x-ray","0.71073","MoKα","","0.0544","0.0408","","","0.081","0.0871","","","","","","1.023","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031853","12.5241","0.0004","14.3021","0.0004","19.6163","0.001","90","","100.67","0.004","90","","3452.9","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 N2 O4 V -","- C35 H53 N2 O4 V -","- C140 H212 N8 O16 V4 -","4","1","","Hänninen, M M; Peuronen, A.; Damlin, P.; Tyystjärvi, V; Kivelä, H; Lehtonen, A.","Vanadium complexes with multidentate amine bisphenols.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14022","14028","10.1039/c4dt01007h","","","1.54184","CuKα","","0.0373","0.0343","","","0.0859","0.0881","","","","","","1.019","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031854","10.8297","0.0003","10.4967","0.0004","29.3356","0.001","90","","93.008","0.003","90","","3330.16","0.19","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 N O5 V -","- C34 H52 N O5 V -","- C136 H208 N4 O20 V4 -","4","1","","Hänninen, M M; Peuronen, A.; Damlin, P.; Tyystjärvi, V; Kivelä, H; Lehtonen, A.","Vanadium complexes with multidentate amine bisphenols.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14022","14028","10.1039/c4dt01007h","","","1.54184","CuKα","","0.0882","0.0765","","","0.2104","0.2262","","","","","","1.109","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031855","9.3504","0.0001","12.4992","0.0002","15.3633","0.0002","106.24","0.001","103.033","0.001","91.582","0.001","1671.59","0.04","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C34 H52 N O6 V -","- C34 H52 N O6 V -","- C68 H104 N2 O12 V2 -","2","1","","Hänninen, M M; Peuronen, A.; Damlin, P.; Tyystjärvi, V; Kivelä, H; Lehtonen, A.","Vanadium complexes with multidentate amine bisphenols.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14022","14028","10.1039/c4dt01007h","","x-ray","0.71073","MoKα","","0.0444","0.0378","","","0.0874","0.0918","","","","","","1.077","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031856","16.98","0.002","22.097","0.003","23.703","0.003","103.893","0.002","108.851","0.002","104.898","0.002","7608.8","1.7","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C94 H254 Fe2 Ge4 Mn3 Mo44 N28 Na2 O194 -","- C50 H70 Fe2 Ge4 Mn3 Mo44 N17 O167 -","- C50 H70 Fe2 Ge4 Mn3 Mo44 N17 O167 -","1","0.5","","Wang, Ya; Jiang, Ning; Li, Fengyan; Zheng, Yanzhen; Xu, Lin; Sun, Minghui","Unusual assembly of lacunary heteropolymolybdates with cyanometalate fragment.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16147","16151","10.1039/c4dt01875c","","","0.71073","MoKα","","0.1303","0.0609","","","0.1399","0.1527","","","","","","0.997","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031857","10.6674","0.0004","13.1267","0.0005","14.6733","0.0006","85.761","0.003","77.173","0.003","68.322","0.004","1861.63","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","(nBu4N)2[Cu{Cu(dnopba)}2](dmso)4","","","- C30 H50 Cu1.5 N5 O12 S2 -","- C30 H50 Cu1.5 N5 O12 S2 -","- C60 H100 Cu3 N10 O24 S4 -","2","1","","Barros, Wdeson P.; da Silva, Beatriz C.; Reis, Natália V; Pereira, Cynthia L. M.; Doriguetto, Antônio C; Cano, Joan; Pirota, Kleber R.; Pedroso, Emerson F.; Julve, Miguel; Stumpf, Humberto O.","Discrete trinuclear copper(ii) compounds as building blocks: the influence of the peripheral substituents on the magnetic coupling in oxamato-bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14586","14595","10.1039/c4dt01180e","","","0.7107","MoKα","","0.0513","0.0356","","","0.0908","0.0942","","","","","","0.977","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031858","10.07","0.0002","12.847","0.0003","15.558","0.0004","87.975","0.002","76.087","0.002","69.626","0.001","1828.87","0.08","120","2","120","2","","","","","","","Synthetic Product","7","P -1","-P 1","2","(nBu4N)2[Cu{Cu(Cl2opba)}2](dmso)4","","","- C30 H50 Cl2 Cu1.5 N3 O8 S2 -","- C30 H50 Cl2 Cu1.5 N3 O8 S2 -","- C60 H100 Cl4 Cu3 N6 O16 S4 -","2","1","","Barros, Wdeson P.; da Silva, Beatriz C.; Reis, Natália V; Pereira, Cynthia L. M.; Doriguetto, Antônio C; Cano, Joan; Pirota, Kleber R.; Pedroso, Emerson F.; Julve, Miguel; Stumpf, Humberto O.","Discrete trinuclear copper(ii) compounds as building blocks: the influence of the peripheral substituents on the magnetic coupling in oxamato-bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14586","14595","10.1039/c4dt01180e","","","0.71073","MoKα","","0.0544","0.041","","","0.1059","0.1146","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031859","12.0612","0.0007","19.6783","0.0011","16.3392","0.0007","90","","116.804","0.003","90","","3461.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cu4 N8 O52 Si W12 -","- C36 H32 Cu4 N8 O52 Si W12 -","- C72 H64 Cu8 N16 O104 Si2 W24 -","2","0.5","","Xu, Xinxin; Gao, Xin; Cui, Zhongping; Liu, Xiaoxia; Zhang, Xia","Loading of PPy on the surface of transition metal coordination polymer modified polyoxometalate (TMCP/POM): a feasible strategy to obtain visible light active and high quantum yields POM based photocatalyst.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13424","13433","10.1039/c4dt01279h","","","0.71073","MoKα","","0.0599","0.0584","","","0.222","0.224","","","","","","1.279","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031860","8.3576","0.0002","10.5283","0.0004","17.4675","0.0006","98.741","0.003","97.008","0.003","100.523","0.003","1475.74","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 Gd2 N O14 -","- C27 H21 Gd2 N O14 -","- C54 H42 Gd4 N2 O28 -","2","1","","Liao, Wei-Ming; Shi, Hua-Tian; Shi, Xu-Hua; Yin, Ye-Gao","Pyrolytic cavitation, selective adsorption and molecular recognition of a porous Eu(iii) MOF.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15305","15307","10.1039/c4dt01434k","","","0.71073","MoKα","","0.0325","0.0262","","","0.0523","0.0559","","","","","","1.008","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031861","8.3911","0.0002","10.5518","0.0003","17.4632","0.0005","98.993","0.003","97.112","0.002","100.424","0.003","1483.48","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 N O14 Sm2 -","- C27 H21 N O14 Sm2 -","- C54 H42 N2 O28 Sm4 -","2","1","","Liao, Wei-Ming; Shi, Hua-Tian; Shi, Xu-Hua; Yin, Ye-Gao","Pyrolytic cavitation, selective adsorption and molecular recognition of a porous Eu(iii) MOF.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15305","15307","10.1039/c4dt01434k","","","0.71073","MoKα","","0.027","0.0206","","","0.0428","0.0448","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031862","5.7707","0.0002","7.0509","0.0003","19.2841","0.0008","90.775","0.003","93.694","0.003","105.743","0.003","753.25","0.05","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H34 Cl4 Cu2 N4 O2 -","- C28 H34 Cl4 Cu2 N4 O2 -","- C28 H34 Cl4 Cu2 N4 O2 -","1","1","","Li, Xi-Li; Kang, Jia-Long; Zhang, Xue-Li; Xiao, Hong-Ping; Wang, Ai-Ling; Zhou, Liming; Fang, Shao-Ming; Liu, Cai-Ming","Anion-controlled self-assembly of two NLO-active dinuclear and molecular square Cu(ii) enantiomeric pairs: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17226","17229","10.1039/c4dt01671h","","","0.71073","MoKα","","0.044","0.0278","","","0.0377","0.0387","","","","","","1.008","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031863","5.7686","0.0005","7.0486","0.0005","19.2564","0.0016","90.725","0.006","93.641","0.007","105.836","0.007","751.37","0.11","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H34 Cl4 Cu2 N4 O2 -","- C28 H34 Cl4 Cu2 N4 O2 -","- C28 H34 Cl4 Cu2 N4 O2 -","1","1","","Li, Xi-Li; Kang, Jia-Long; Zhang, Xue-Li; Xiao, Hong-Ping; Wang, Ai-Ling; Zhou, Liming; Fang, Shao-Ming; Liu, Cai-Ming","Anion-controlled self-assembly of two NLO-active dinuclear and molecular square Cu(ii) enantiomeric pairs: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17226","17229","10.1039/c4dt01671h","","","0.71073","MoKα","","0.0885","0.0668","","","0.1594","0.169","","","","","","1.141","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031864","13.8636","0.0009","13.8636","0.0009","34.6936","0.0018","90","","90","","90","","6668.1","0.7","291","2","291","2","","","","","","","","5","I 4","I 4","79","","","","- C112 H142 Cu4 N24 O35 -","- C112 H142 Cu4 N24 O35 -","- C224 H284 Cu8 N48 O70 -","2","0.25","","Li, Xi-Li; Kang, Jia-Long; Zhang, Xue-Li; Xiao, Hong-Ping; Wang, Ai-Ling; Zhou, Liming; Fang, Shao-Ming; Liu, Cai-Ming","Anion-controlled self-assembly of two NLO-active dinuclear and molecular square Cu(ii) enantiomeric pairs: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17226","17229","10.1039/c4dt01671h","","","0.71073","MoKα","","0.063","0.0532","","","0.1298","0.1319","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031865","13.5331","0.0017","13.5331","0.0017","35.6444","0.0014","90","","90","","90","","6528.1","1.2","291","2","291","2","","","","","","","","5","I 4","I 4","79","","","","- C112 H142 Cu4 N24 O35 -","- C112 H142 Cu4 N24 O35 -","- C224 H284 Cu8 N48 O70 -","2","0.25","","Li, Xi-Li; Kang, Jia-Long; Zhang, Xue-Li; Xiao, Hong-Ping; Wang, Ai-Ling; Zhou, Liming; Fang, Shao-Ming; Liu, Cai-Ming","Anion-controlled self-assembly of two NLO-active dinuclear and molecular square Cu(ii) enantiomeric pairs: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17226","17229","10.1039/c4dt01671h","","","0.71073","MoKα","","0.0568","0.0571","","","0.1351","0.1351","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031866","15.096","0.002","11.8371","0.0019","13.136","0.002","90","","90","","90","","2347.3","0.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C15 H29 F6 N P3 Rh -","- C15 H29 F6 N P3 Rh -","- C60 H116 F24 N4 P12 Rh4 -","4","0.5","","Rivers, Joseph H.; Jones, Richard A.","Synthesis and structures of mononuclear 3,4-bis(trifluoromethyl)pyrrolyl complexes of Rh(i) and Ni(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16275","16282","10.1039/c4dt01742k","","","0.71073","MoKα","","0.0711","0.0431","","","0.0958","0.1071","","","","","","1.044","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031867","5.41","0.005","15.773","0.003","8.449","0.005","90","","118.57","0.04","90","","633.2","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl-trans-bis-trimethylphosphine-nickle(ii)","","- C8 H24 Ni P2 -","- C8 H24 Ni P2 -","- C16 H48 Ni2 P4 -","2","0.5","","Rivers, Joseph H.; Jones, Richard A.","Synthesis and structures of mononuclear 3,4-bis(trifluoromethyl)pyrrolyl complexes of Rh(i) and Ni(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16275","16282","10.1039/c4dt01742k","","","0.71069","MoKα","","0.1275","0.1035","","","0.1846","0.1965","","","","","","1.257","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031868","9.446","0.0013","19.127","0.003","11.7898","0.0016","90","","116.467","0.003","90","","1906.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","methyl-(bis(3,4-trifluoromethyl-pyrrole)-trans-bis- trimethylphosphine-nickel(ii)","","- C13 H23 F6 N Ni P2 -","- C13 H23 F6 N Ni P2 -","- C52 H92 F24 N4 Ni4 P8 -","4","1","","Rivers, Joseph H.; Jones, Richard A.","Synthesis and structures of mononuclear 3,4-bis(trifluoromethyl)pyrrolyl complexes of Rh(i) and Ni(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16275","16282","10.1039/c4dt01742k","","","0.71073","MoKα","","0.0579","0.0406","","","0.0842","0.0907","","","","","","1.033","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031869","6.3114","0.0007","8.6172","0.001","18.474","0.002","82.806","0.004","89.043","0.005","68.545","0.004","927.29","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","trans-diphenyl-bis(trimethylphosphine)nickel(ii)","","- C18 H28 Ni P2 -","- C18 H28 Ni P2 -","- C36 H56 Ni2 P4 -","2","1","","Rivers, Joseph H.; Jones, Richard A.","Synthesis and structures of mononuclear 3,4-bis(trifluoromethyl)pyrrolyl complexes of Rh(i) and Ni(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16275","16282","10.1039/c4dt01742k","","","0.71069","MoKα","","0.032","0.0288","","","0.0777","0.0798","","","","","","1.093","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031870","14.992","0.005","8.881","0.003","17.857","0.006","90","","110.989","0.005","90","","2219.8","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","phenyl-(3,4-bis(trifluoromethyl)-Pyrrole)-trans- bis(trimethylphosphine)nickel(ii)","","- C18 H25 F6 N Ni P2 -","- C18 H25 F6 N Ni P2 -","- C72 H100 F24 N4 Ni4 P8 -","4","1","","Rivers, Joseph H.; Jones, Richard A.","Synthesis and structures of mononuclear 3,4-bis(trifluoromethyl)pyrrolyl complexes of Rh(i) and Ni(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16275","16282","10.1039/c4dt01742k","","","0.71069","MoKα","","0.0956","0.0686","","","0.1553","0.1766","","","","","","0.984","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7031888","56.22","0.011","17.167","0.003","19.207","0.004","90","","101.3","0.03","90","","18178","6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C144 H58 P2 Pt -","- C144 H58 P2 Pt -","- C1152 H464 P16 Pt8 -","8","1","","Alvarez, Celedonio M.; García-Escudero, Luis A; García-Rodríguez, Raúl; Martín-Álvarez, Jose M; Miguel, Daniel; Rayón, Víctor M","Enhanced association for C70 over C60 with a metal complex with corannulene derivate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15693","15696","10.1039/c4dt02078b","","","0.71073","MoKα","","0.0684","0.0481","","","0.1426","0.149","","","","","","0.966","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031894","22.846","0.006","13.767","0.004","17.97","0.005","90","","129.353","0.003","90","","4370","2","93","2","93","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Tetramethylammonium nonaniobomanganate","","","- C33 H60 Mn N8 Nb9 O57 -","- C33.6 H60 Mn1.038 N8 Nb8.962 O56.9 -","- C67.2 H120 Mn2.076 N16 Nb17.924 O113.8 -","2","0.25","","Son, Jung-Ho; Wang, Jiarui; Casey, William H.","Structure, stability and photocatalytic H2 production by Cr-, Mn-, Fe-, Co-, and Ni-substituted decaniobate clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17928","17933","10.1039/c4dt02020k","","","0.71073","MoKα","","0.0516","0.0505","","","0.1279","0.1285","","","","","","1.242","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031895","16.6016","0.0008","17.2436","0.0008","24.0263","0.0011","90","","106.121","0.001","90","","6607.6","0.5","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tetramethylammonium nonaniobochromate","","","- C24 H93 Cr N6 Nb9 O42.5 -","- C24 H93 Cr1.025 N6 Nb8.975 O42.435 -","- C96 H372 Cr4.1 N24 Nb35.9 O169.74 -","4","1","","Son, Jung-Ho; Wang, Jiarui; Casey, William H.","Structure, stability and photocatalytic H2 production by Cr-, Mn-, Fe-, Co-, and Ni-substituted decaniobate clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17928","17933","10.1039/c4dt02020k","","","0.71073","MoKα","","0.0348","0.0309","","","0.0643","0.0656","","","","","","1.301","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031896","25.543","0.002","13.8124","0.0012","23.383","0.002","90","","104.026","0.001","90","","8003.8","1.2","88","2","88","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tetramethylammonium nonaniobocobaltate","","","- C28 H72 Co N7 Nb9 O53 -","- C28 H72 Co N7 Nb9 O53 -","- C112 H288 Co4 N28 Nb36 O212 -","4","1","","Son, Jung-Ho; Wang, Jiarui; Casey, William H.","Structure, stability and photocatalytic H2 production by Cr-, Mn-, Fe-, Co-, and Ni-substituted decaniobate clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17928","17933","10.1039/c4dt02020k","","","0.71073","MoKα","","0.0858","0.0637","","","0.1559","0.17","","","","","","1.004","","","","has coordinates,has disorder","180024","2020-10-21","18:00:00",""
"7031897","8.6965","0.0003","10.7354","0.0005","12.8282","0.0005","90.8057","0.0014","90.6311","0.0012","90.094","0.0013","1197.45","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","lithium boron phosphorous oxide","dilithium triboron monophosphorous oxide","","- B3 Li2 O8 P -","- B3 Li2 O8 P -","- B24 Li16 O64 P8 -","8","4","","Hasegawa, Toru; Yamane, Hisanori","The crystal structure of Li2B3PO8 with the 2D-linkage of BO3, BO4 and PO4 groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14525","14528","10.1039/c4dt01670j","","","0.71075","MoKα","","0.0599","0.0396","","","0.0891","0.1033","","","","","","1.1","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7031906","11.8538","0.0005","12.847","0.0006","14.7605","0.0007","68.292","0.002","80.533","0.002","81.195","0.002","2049.5","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 Cl2 Mn N2 O4 -","- C40 H46 Cl2 Mn N2 O4 -","- C80 H92 Cl4 Mn2 N4 O8 -","2","1","","Sasmal, Ashok; Garribba, Eugenio; Gómez-García, Carlos J; Desplanches, Cédric; Mitra, Samiran","Switching and redox isomerism in first-row transition metal complexes containing redox active Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15958","15967","10.1039/c4dt01699h","","","0.71073","MoKα","","0.0707","0.0529","","","0.1551","0.1647","","","","","","0.981","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031907","11.8964","0.0006","20.6638","0.0011","15.8441","0.0007","90","","98.025","0.003","90","","3856.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Cl2 Fe N2 O4 -","- C40 H46 Cl2 Fe N2 O4 -","- C160 H184 Cl8 Fe4 N8 O16 -","4","1","","Sasmal, Ashok; Garribba, Eugenio; Gómez-García, Carlos J; Desplanches, Cédric; Mitra, Samiran","Switching and redox isomerism in first-row transition metal complexes containing redox active Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15958","15967","10.1039/c4dt01699h","","","0.71073","MoKα","","0.2219","0.0689","","","0.1449","0.1972","","","","","","0.848","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031908","11.7045","0.0009","20.4577","0.0016","15.7782","0.0012","90","","97.938","0.002","90","","3741.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Cl2 Co N2 O4 -","- C40 H46 Cl2 Co N2 O4 -","- C160 H184 Cl8 Co4 N8 O16 -","4","1","","Sasmal, Ashok; Garribba, Eugenio; Gómez-García, Carlos J; Desplanches, Cédric; Mitra, Samiran","Switching and redox isomerism in first-row transition metal complexes containing redox active Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15958","15967","10.1039/c4dt01699h","","","0.71073","MoKα","","0.0991","0.0507","","","0.1237","0.1519","","","","","","0.897","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031909","12.151","0.005","13.045","0.005","14.498","0.005","66.617","0.005","79.473","0.005","79.908","0.005","2060.4","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 Cl2 N2 Ni O4 -","- C40 H46 Cl2 N2 Ni O4 -","- C80 H92 Cl4 N4 Ni2 O8 -","2","1","","Sasmal, Ashok; Garribba, Eugenio; Gómez-García, Carlos J; Desplanches, Cédric; Mitra, Samiran","Switching and redox isomerism in first-row transition metal complexes containing redox active Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15958","15967","10.1039/c4dt01699h","","","0.71073","MoKα","","0.0781","0.0456","","","0.1171","0.1303","","","","","","0.886","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031910","11.7645","0.0003","20.6993","0.0006","15.8548","0.0004","90","","97.786","0.002","90","","3825.32","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Cl2 Co N2 O4 -","- C40 H46 Cl2 Co N2 O4 -","- C160 H184 Cl8 Co4 N8 O16 -","4","1","","Sasmal, Ashok; Garribba, Eugenio; Gómez-García, Carlos J; Desplanches, Cédric; Mitra, Samiran","Switching and redox isomerism in first-row transition metal complexes containing redox active Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15958","15967","10.1039/c4dt01699h","","","0.71073","MoKα","","0.1112","0.0509","","","0.1335","0.1676","","","","","","0.89","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031911","16.852","0.003","9.292","0.002","15.791","0.003","90","","114.57","0.03","90","","2248.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Mn N4 O6 -","- C24 H24 Mn N4 O6 -","- C96 H96 Mn4 N16 O24 -","4","1","","Najafpour, Mohammad Mahdi; Hołyńska, Małgorzata; Shamkhali, Amir Nasser; Kazemi, Sayed Habib; Hillier, Warwick; Amini, Emad; Ghaemmaghami, M.; Jafarian Sedigh, Davood; Nemati Moghaddam, Atefeh; Mohamadi, Rahim; Zaynalpoor, Sasan; Beckmann, Katrin","The role of nano-sized manganese oxides in the oxygen-evolution reactions by manganese complexes: towards a complete picture.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13122","","10.1039/c4dt01367k","","","0.71073","MoKα","","0.0565","0.027","","","0.0383","0.0397","","","","","","0.813","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031912","12.731","0.003","12.876","0.003","22.096","0.004","93.88","0.03","100","0.03","107.99","0.03","3364.1","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Mn N4 O9 -","- C36 H32 Mn N4 O9 -","- C144 H128 Mn4 N16 O36 -","4","2","","Najafpour, Mohammad Mahdi; Hołyńska, Małgorzata; Shamkhali, Amir Nasser; Kazemi, Sayed Habib; Hillier, Warwick; Amini, Emad; Ghaemmaghami, M.; Jafarian Sedigh, Davood; Nemati Moghaddam, Atefeh; Mohamadi, Rahim; Zaynalpoor, Sasan; Beckmann, Katrin","The role of nano-sized manganese oxides in the oxygen-evolution reactions by manganese complexes: towards a complete picture.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13122","","10.1039/c4dt01367k","","","0.71073","MoKα","","0.0724","0.0316","","","0.0376","0.0403","","","","","","0.842","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031913","20.318","0.004","11.781","0.003","9.576","0.002","90","","90","","90","","2292.2","0.9","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C5 H13 Mn N2 O9.5 -","- C5 H13 Mn N2 O9.5 -","- C40 H104 Mn8 N16 O76 -","8","1","","Najafpour, Mohammad Mahdi; Hołyńska, Małgorzata; Shamkhali, Amir Nasser; Kazemi, Sayed Habib; Hillier, Warwick; Amini, Emad; Ghaemmaghami, M.; Jafarian Sedigh, Davood; Nemati Moghaddam, Atefeh; Mohamadi, Rahim; Zaynalpoor, Sasan; Beckmann, Katrin","The role of nano-sized manganese oxides in the oxygen-evolution reactions by manganese complexes: towards a complete picture.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13122","","10.1039/c4dt01367k","","","0.71073","MoKα","","0.062","0.0271","","","0.0375","0.0404","","","","","","0.959","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031914","12.9191","0.0005","14.674","0.0006","11.9279","0.0004","90","","90","","90","","2261.23","0.15","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C24 H40 Cl4 Cu2 N8 O30 -","- C24 H32 Cl4 Cu2 N8 O30 -","- C48 H64 Cl8 Cu4 N16 O60 -","2","0.25","","Singh, Amanpreet; Singh, Ajnesh; Singh, Narinder","A Cu(ii) complex of an imidazolium-based ionic liquid: synthesis, X-ray structure and application in the selective electrochemical sensing of guanine.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16283","16288","10.1039/c4dt01759e","","","0.71073","MoKα","","0.0644","0.0584","","","0.1747","0.1814","","","","","","1.047","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031915","33.101","0.013","10.69","0.004","11.876","0.004","90","","106.485","0.008","90","","4030","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H45 Al Mo6 N2 O43 Sm -","- C4 H45 Al Mo6 N2 O43 Sm -","- C16 H180 Al4 Mo24 N8 O172 Sm4 -","4","0.5","","Miao, Jun; Liu, Yiwei; Tang, Qun; He, Danfeng; Yang, Guocheng; Shi, Zhan; Liu, Shuxia; Wu, Qingyin","Proton conductive watery channels constructed by Anderson polyanions and lanthanide coordination cations.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14749","14755","10.1039/c4dt01715c","","","0.71073","MoKα","","0.09","0.0768","","","0.2058","0.2139","","","","","","1.143","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031916","9.832","0.002","11.024","0.002","11.582","0.002","96.24","0.03","103.9","0.03","107.32","0.03","1141.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","{[Cd(btbb)0.5(p-phda)]H2O}n","","","- C24 H20 Cd N3 O5 S -","- C24 H20 Cd N3 O5 S -","- C48 H40 Cd2 N6 O10 S2 -","2","1","","Liu, Lu; Ding, Jie; Li, Ming; Lv, Xiaofeng; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Structural variability, topological analysis and photocatalytic properties of neoteric Cd(ii) coordination polymers based on semirigid bis(thiazolylbenzimidazole) and different types of carboxylic acid linkers.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12790","12799","10.1039/c4dt01080a","","","0.71073","MoKα","","0.0583","0.0511","","","0.1216","0.1276","","","","","","1.086","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031917","11.011","0.002","14.279","0.003","15.654","0.003","90","","98.58","0.03","90","","2433.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cd(btbb)0.5(oba)]n","","","- C28 H18 Cd N3 O5 S -","- C28 H18 Cd N3 O5 S -","- C112 H72 Cd4 N12 O20 S4 -","4","1","","Liu, Lu; Ding, Jie; Li, Ming; Lv, Xiaofeng; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Structural variability, topological analysis and photocatalytic properties of neoteric Cd(ii) coordination polymers based on semirigid bis(thiazolylbenzimidazole) and different types of carboxylic acid linkers.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12790","12799","10.1039/c4dt01080a","","","0.71073","MoKα","","0.0638","0.0587","","","0.1501","0.1548","","","","","","1.059","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031918","11.485","0.002","13.885","0.003","14.93","0.003","64.87","0.03","86.91","0.03","74.59","0.03","2073.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","{[Cd2(btbb)(m-bdc)2(H2O)]2H2O}n","","","- C44 H34 Cd2 N6 O11 S2 -","- C44 H34 Cd2 N6 O11 S2 -","- C88 H68 Cd4 N12 O22 S4 -","2","1","","Liu, Lu; Ding, Jie; Li, Ming; Lv, Xiaofeng; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Structural variability, topological analysis and photocatalytic properties of neoteric Cd(ii) coordination polymers based on semirigid bis(thiazolylbenzimidazole) and different types of carboxylic acid linkers.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12790","12799","10.1039/c4dt01080a","","","0.71073","MoKα","","0.0731","0.0569","","","0.1264","0.1378","","","","","","1.04","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031919","12.78","0.003","10.494","0.002","15.87","0.003","90","","109.31","0.03","90","","2008.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{[Cd(btbb)0.5(btec)0.5(H2O)]2H2O}n","","","- C19 H17 Cd N3 O7 S -","- C19 H17 Cd N3 O7 S -","- C76 H68 Cd4 N12 O28 S4 -","4","1","","Liu, Lu; Ding, Jie; Li, Ming; Lv, Xiaofeng; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Structural variability, topological analysis and photocatalytic properties of neoteric Cd(ii) coordination polymers based on semirigid bis(thiazolylbenzimidazole) and different types of carboxylic acid linkers.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12790","12799","10.1039/c4dt01080a","","","0.71073","MoKα","","0.1126","0.0844","","","0.1521","0.1676","","","","","","1.088","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031920","7.6943","0.0015","9.95","0.002","12.675","0.003","91.13","0.03","92.58","0.03","99.25","0.03","956.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Cd(btbb)0.5(o-bdc)]n","","","- C22 H14 Cd N3 O4 S -","- C22 H14 Cd N3 O4 S -","- C44 H28 Cd2 N6 O8 S2 -","2","1","","Liu, Lu; Ding, Jie; Li, Ming; Lv, Xiaofeng; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Structural variability, topological analysis and photocatalytic properties of neoteric Cd(ii) coordination polymers based on semirigid bis(thiazolylbenzimidazole) and different types of carboxylic acid linkers.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12790","12799","10.1039/c4dt01080a","","","0.71073","MoKα","","0.0486","0.0433","","","0.103","0.1073","","","","","","1.054","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031921","12.641","0.003","13.016","0.003","14.051","0.003","91.81","0.03","99.84","0.03","90.67","0.03","2276.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","{[Cd2(btbb)(bptc)(H2O)]4H2O}n","","","- C45 H36 Cd2 N6 O14 S2 -","- C45 H36 Cd2 N6 O14 S2 -","- C90 H72 Cd4 N12 O28 S4 -","2","1","","Liu, Lu; Ding, Jie; Li, Ming; Lv, Xiaofeng; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Structural variability, topological analysis and photocatalytic properties of neoteric Cd(ii) coordination polymers based on semirigid bis(thiazolylbenzimidazole) and different types of carboxylic acid linkers.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12790","12799","10.1039/c4dt01080a","","","0.71073","MoKα","","0.09","0.0684","","","0.1726","0.1916","","","","","","1.063","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031922","19.8102","0.0003","18.2488","0.0002","17.1298","0.0003","90","","107.273","0.002","90","","5913.35","0.16","149","2","149","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122 H144 Mo4 N14 O20 -","- C122 H128 Mo4 N14 O20 -","- C244 H256 Mo8 N28 O40 -","2","0.5","","Shu, Yao; Lei, Hao; Tan, Ying Ning; Meng, Miao; Zhang, Xiao Chun; Liu, Chun Y.","Tuning the electronic coupling in Mo2-Mo2 systems by variation of the coordinating atoms of the bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14756","14765","10.1039/c4dt00786g","","","1.54178","CuKα","","0.0622","0.0484","","","0.1234","0.1363","","","","","","1.07","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031923","11.541","0.0004","11.759","0.0004","24.0969","0.0009","76.162","0.003","86.324","0.003","72.438","0.003","3027.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C124.4 H152.8 Mo4 N14 O19.6 S2 -","- C124.4 H112 Mo4 N14 O19.6 S2 -","- C124.4 H112 Mo4 N14 O19.6 S2 -","1","0.5","","Shu, Yao; Lei, Hao; Tan, Ying Ning; Meng, Miao; Zhang, Xiao Chun; Liu, Chun Y.","Tuning the electronic coupling in Mo2-Mo2 systems by variation of the coordinating atoms of the bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14756","14765","10.1039/c4dt00786g","","","1.54178","CuKα","","0.0727","0.0505","","","0.1112","0.1271","","","","","","1.065","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031924","12.672","0.0004","15.257","0.0005","26.719","0.0009","78.923","0.001","89.523","0.002","67.966","0.001","4687.7","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C98 H103 Ag F6 N3 O6 Pt S2 -","- C98 H103 Ag F6 N3 O6 Pt S2 -","- C196 H206 Ag2 F12 N6 O12 Pt2 S4 -","2","1","","Lohr, Tracy L.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Silver ion enhanced C-H activation in Pt(ii) hydroxo complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13858","13864","10.1039/c4dt01934b","","","0.71073","MoKα","","0.0877","0.0698","","","0.1757","0.1857","","","","","","1.234","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031925","9.1614","0.0013","9.8389","0.0012","19.42","0.003","90","","103.551","0.004","90","","1701.8","0.4","199","2","199","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N6 Sn2 -","- C36 H36 N6 Sn2 -","- C72 H72 N12 Sn4 -","2","0.5","","García-Rodríguez, Raúl; Wright, Dominic S.","Direct synthesis of the Janus-head ligand ((Me)Py)3Sn-Sn((Me)Py)3 using an unusual pyridyl-transfer reaction ((Me)Py = 6-methyl-2-pyridyl).","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14529","14532","10.1039/c4dt02216e","","","0.71073","MoKα","","0.0471","0.0352","","","0.1052","0.1139","","","","","","1.095","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031926","16.4409","0.0018","19.855","0.002","17.9265","0.0018","90","","90.455","0.003","90","","5851.6","1.1","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Al Cl2 N5 O0.5 Sn2 -","- C27 H24 Al Cl2 N5 O0.5 Sn2 -","- C216 H192 Al8 Cl16 N40 O4 Sn16 -","8","2","","García-Rodríguez, Raúl; Wright, Dominic S.","Direct synthesis of the Janus-head ligand ((Me)Py)3Sn-Sn((Me)Py)3 using an unusual pyridyl-transfer reaction ((Me)Py = 6-methyl-2-pyridyl).","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14529","14532","10.1039/c4dt02216e","","","0.71073","MoKα","","0.1186","0.0752","","","0.1845","0.214","","","","","","1.116","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7031927","37.0007","0.0003","37.0007","0.0003","32.4997","0.0003","90","","90","","120","","38532.7","0.6","223","2","223","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C111 H141 Li4 N3 O27 Ti2 -","- C111 H141 Li4 N3 O27 Ti2 -","- C1332 H1692 Li48 N36 O324 Ti24 -","12","1.33333","","Albrecht, M.; Isaak, E.; Shigemitsu, H.; Moha, V.; Raabe, G.; Fröhlich, R","Terpenols as substituents for the diastereoselective formation of enantiomerically pure triple lithium-bridged helicate type-coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14636","14643","10.1039/c4dt01553c","","","0.71073","MoKα","","0.1127","0.0832","","","0.1857","0.2019","","","","","","1.117","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031928","36.798","0.0004","36.798","0.0004","32.7961","0.0005","90","","90","","120","","38459.3","0.8","223","2","223","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C102 H120 Li4 O24 Ti2 -","- C102 H120 Li4 O24 Ti2 -","- C1224 H1440 Li48 O288 Ti24 -","12","1.33333","","Albrecht, M.; Isaak, E.; Shigemitsu, H.; Moha, V.; Raabe, G.; Fröhlich, R","Terpenols as substituents for the diastereoselective formation of enantiomerically pure triple lithium-bridged helicate type-coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14636","14643","10.1039/c4dt01553c","","","0.71073","MoKα","","0.1756","0.1281","","","0.3106","0.3416","","","","","","1.062","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031933","6.905","0.0001","12.0442","0.0003","12.576","0.0003","69.846","0.001","76.718","0.001","86.721","0.001","955.31","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Crystal 1a","","- C12 H18 B10 N2 Pt S2 -","- C12 H18 B10 N2 Pt S2 -","- C24 H36 B20 N4 Pt2 S4 -","2","1","","Pintus, Anna; Aragoni, M. Carla; Coles, Simon J.; Coles Née Huth, Susanne L; Isaia, Francesco; Lippolis, Vito; Musteti, Ana-Daniela; Teixidor, Francesc; Viñas, Clara; Arca, Massimiliano","New Pt(II) diimine-dithiolate complexes containing a 1,2-dithiolate-1,2-closo-dicarbadodecarborane: an experimental and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13649","13660","10.1039/c4dt01929f","","","0.71073","MoKα","","0.0411","0.0376","","","0.0988","0.1021","","","","","","1.086","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031934","16.0556","0.0008","7.4052","0.0003","25.1009","0.0012","90","","90","","90","","2984.4","0.2","120","2","120","2","","","","","","","","6","I m m a","-I 2b 2","74","","Crystal 3a","","- C20 H34 B10 N2 Pt S2 -","- C20 H34 B10 N2 Pt S2 -","- C80 H136 B40 N8 Pt4 S8 -","4","0.25","","Pintus, Anna; Aragoni, M. Carla; Coles, Simon J.; Coles Née Huth, Susanne L; Isaia, Francesco; Lippolis, Vito; Musteti, Ana-Daniela; Teixidor, Francesc; Viñas, Clara; Arca, Massimiliano","New Pt(II) diimine-dithiolate complexes containing a 1,2-dithiolate-1,2-closo-dicarbadodecarborane: an experimental and theoretical investigation.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13649","13660","10.1039/c4dt01929f","","","0.71073","MoKα","","0.0407","0.0331","","","0.0653","0.0677","","","","","","1.049","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031935","16.29","0.005","17.033","0.006","10.392","0.004","90","","101.334","0.005","90","","2827.2","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 F3 N O2 -","- C33 H27 F3 N O2 -","- C132 H108 F12 N4 O8 -","4","1","","Woodward, Adam W.; Frazer, Andrew; Morales, Alma R.; Yu, Jin; Moore, Anthony F.; Campiglia, Andres D.; Jucov, Evgheni V.; V Timofeeva, Tatiana; Belfield, Kevin D.","Two-photon sensitized visible and near-IR luminescence of lanthanide complexes using a fluorene-based donor-π-acceptor diketonate.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16626","16639","10.1039/c4dt01507j","","","0.71073","MoKα","","0.2347","0.093","","","0.2304","0.3154","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7031936","20.8211","0.0007","15.7605","0.0005","17.6677","0.0006","90","","114.312","0.002","90","","5283.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","3-1697 [Mo(PNP^Me^-iPr)(CO)I2]","3-1697 [Mo(PNP^Me^-iPr)(CO)I2], Diiodo-carbonyl-[N,N'-bis(diisopropylphosphino)-N,N'-dimethyl-2,6- diaminopyridine-κP,N^1^,P']-molybdenum(iv)","","- C20 H37 I2 Mo N3 O P2 -","- C20 H37 I2 Mo N3 O P2 -","- C160 H296 I16 Mo8 N24 O8 P16 -","8","2","","de Aguiar, Sara R. M. M.; Oztopcu, Ozgür; Stöger, Berthold; Mereiter, Kurt; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Synthesis and reactivity of coordinatively unsaturated halocarbonyl molybdenum PNP pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14669","14679","10.1039/c4dt01932f","","","0.71073","MoKα","","0.0392","0.0265","","","0.051","0.0553","","","","","","1.024","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031937","15.3996","0.0008","11.2076","0.0005","15.6189","0.0007","90","","105.005","0.002","90","","2603.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","4-1680 [Mo(PNP^Me^-iPr)(CO)Br2]","4-1680 [Mo(PNP^Me^-iPr)(CO)Br2], Dibromo-carbonyl-[N,N'-bis(diisopropylphosphino)-N,N'-dimethyl-2,6- diaminopyridine-κP,N^1^,P']-molybdenum(iv)","","- C20 H37 Br2 Mo N3 O P2 -","- C20 H37 Br2 Mo N3 O P2 -","- C80 H148 Br8 Mo4 N12 O4 P8 -","4","1","","de Aguiar, Sara R. M. M.; Oztopcu, Ozgür; Stöger, Berthold; Mereiter, Kurt; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Synthesis and reactivity of coordinatively unsaturated halocarbonyl molybdenum PNP pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14669","14679","10.1039/c4dt01932f","","","0.71073","MoKα","","0.0229","0.0195","","","0.0483","0.0498","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031938","15.275","0.0003","11.311","0.0002","15.3045","0.0003","90","","106.401","0.001","90","","2536.65","0.08","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","5-1701 [Mo(PNP^Me^-iPr)(CO)Cl2]","5-1701 [Mo(PNP^Me^-iPr)(CO)Cl2], Diiodo-carbonyl-[N,N'-bis(diisopropylphosphino)-N,N'-dimethyl-2,6- diaminopyridine-κP,N^1^,P']-molybdenum(iv)","","- C20 H37 Cl2 Mo N3 O P2 -","- C20 H37 Cl2 Mo N3 O P2 -","- C80 H148 Cl8 Mo4 N12 O4 P8 -","4","1","","de Aguiar, Sara R. M. M.; Oztopcu, Ozgür; Stöger, Berthold; Mereiter, Kurt; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Synthesis and reactivity of coordinatively unsaturated halocarbonyl molybdenum PNP pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14669","14679","10.1039/c4dt01932f","","","0.71073","MoKα","","0.0178","0.0169","","","0.0447","0.0453","","","","","","1.056","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031939","11.4932","0.0004","9.6174","0.0003","29.2482","0.001","90","","92.387","0.002","90","","3230.14","0.19","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","8-1703 [Mo(PNP^Me^-iPr)(CO)(THF)Cl]SbF6","8-1703 [Mo(PNP^Me^-iPr)(CO)(THF)Cl]SbF6, Chloro-carbonyl-tetrahydrofuran-[N,N'-bis(diisopropylphosphino)-N,N'- dimethyl-2,6-diaminopyridine-κP,N^1^,P']-molybdenum(iv) hexafluoroantimonate.","","- C24 H45 Cl F6 Mo N3 O2 P2 Sb -","- C24 H45 Cl F6 Mo N3 O2 P2 Sb -","- C96 H180 Cl4 F24 Mo4 N12 O8 P8 Sb4 -","4","1","","de Aguiar, Sara R. M. M.; Oztopcu, Ozgür; Stöger, Berthold; Mereiter, Kurt; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Synthesis and reactivity of coordinatively unsaturated halocarbonyl molybdenum PNP pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14669","14679","10.1039/c4dt01932f","","","0.71073","MoKα","","0.0476","0.0437","","","0.0998","0.1027","","","","","","1.156","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031940","19.1328","0.0005","8.9912","0.0002","29.1561","0.0007","90","","92.475","0.002","90","","5011","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4b-1702 [Mo(PNP^Me^-iPr)(CO)Br2], crystal form 2","4b-1702 [Mo(PNP^Me^-iPr)(CO)Br2], crystal form 2 of 2, polymorph of 4-1680 [Mo(PNP^Me^-iPr)(CO)Br2], Dibromo-carbonyl-[N,N'-bis(diisopropylphosphino)-N,N'-dimethyl-2,6- diaminopyridine-κP,N^1^,P']-molybdenum(iv)","","- C20 H37 Br2 Mo N3 O P2 -","- C20 H37 Br2 Mo N3 O P2 -","- C160 H296 Br16 Mo8 N24 O8 P16 -","8","2","","de Aguiar, Sara R. M. M.; Oztopcu, Ozgür; Stöger, Berthold; Mereiter, Kurt; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Synthesis and reactivity of coordinatively unsaturated halocarbonyl molybdenum PNP pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14669","14679","10.1039/c4dt01932f","","","0.71073","MoKα","","0.0478","0.0342","","","0.0625","0.0663","","","","","","1.16","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031941","10.2057","0.0009","10.2057","0.0009","10.2057","0.0009","90","","90","","90","","1062.99","0.16","150","2","150","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","Barium Iron Sulfide","Barium Iron Sulfide","","- Ba6 Fe25 S27 -","- Ba6 Fe25 S27 -","- Ba6 Fe25 S27 -","1","0.0208333","","Stacey, Timothy E.; Borg, Christopher K. H.; Zavalij, Peter J.; Rodriguez, Efrain E.","Magnetically stabilized Fe8(μ4-S)6S8 clusters in Ba6Fe25S27.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14612","14624","10.1039/c4dt01182a","","","0.71073","MoKα","","0.014","0.0136","","","0.0392","0.0395","","","","","","1.031","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031942","11.242","0.006","11.922","0.006","12.005","0.006","79.932","0.007","82.909","0.008","62.842","0.007","1407.8","1.3","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 B2 Cd2 Cl2 N12 S6 -","- C48 H44 B2 Cd2 Cl2 N12 S6 -","- C48 H44 B2 Cd2 Cl2 N12 S6 -","1","0.5","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and structural characterization of tris(2-mercapto-1-methylbenzimidazolyl)hydroborato cadmium halide complexes, {[Tm(MeBenz)]Cd(μ-Cl)}2 and [Tm(MeBenz)]CdI: a rare example of cadmium in a trigonal bipyramidal sulfur-rich coordination environment.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13874","13882","10.1039/c4dt01820f","","","0.71073","MoKα","","0.1034","0.0711","","","0.1679","0.1873","","","","","","1.026","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031943","12.773","0.003","20.555","0.005","24.286","0.006","104.902","0.004","94.113","0.004","104.429","0.004","5904","2","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H50 B2 Cd2 Cl20 N12 S6 -","- C54 H50 B2 Cd2 Cl20 N12 S6 -","- C162 H150 B6 Cd6 Cl60 N36 S18 -","3","1.5","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and structural characterization of tris(2-mercapto-1-methylbenzimidazolyl)hydroborato cadmium halide complexes, {[Tm(MeBenz)]Cd(μ-Cl)}2 and [Tm(MeBenz)]CdI: a rare example of cadmium in a trigonal bipyramidal sulfur-rich coordination environment.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13874","13882","10.1039/c4dt01820f","","","0.71073","MoKα","","0.0974","0.0833","","","0.2156","0.2266","","","","","","1.122","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031944","12.414","0.003","12.87","0.003","15.611","0.003","77.113","0.003","77.354","0.003","78.37","0.003","2341.5","0.9","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H46 B Cd I N6 S3 -","- C48 H46 B Cd I N6 S3 -","- C96 H92 B2 Cd2 I2 N12 S6 -","2","1","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and structural characterization of tris(2-mercapto-1-methylbenzimidazolyl)hydroborato cadmium halide complexes, {[Tm(MeBenz)]Cd(μ-Cl)}2 and [Tm(MeBenz)]CdI: a rare example of cadmium in a trigonal bipyramidal sulfur-rich coordination environment.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13874","13882","10.1039/c4dt01820f","","","0.71073","MoKα","","0.0441","0.0317","","","0.0722","0.0795","","","","","","1.037","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031945","6.414","0.003","10.292","0.004","7.649","0.004","90","","113.698","0.012","90","","462.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","trichlorotrimethylphosphanealuminium(III)","","- C3 H9 Al Cl3 P -","- C3 H9 Al Cl3 P -","- C6 H18 Al2 Cl6 P2 -","2","0.5","","Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian","Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14600","14611","10.1039/c4dt02051k","","","0.71073","MoKα","","0.0551","0.0519","","","0.1241","0.125","","","","","","1.195","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7031946","9.97","0.003","10.599","0.004","13.562","0.004","90","","90","","90","","1433.1","0.8","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Trichlorobis(trimethylphosphine)aluminium(III)","","- C6 H18 Al Cl3 P2 -","- C6 H18 Al Cl3 P2 -","- C24 H72 Al4 Cl12 P8 -","4","0.5","","Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian","Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14600","14611","10.1039/c4dt02051k","","","0.71073","MoKα","","0.0881","0.0649","","","0.0867","0.091","","","","","","1.191","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7031947","13.278","0.004","14.545","0.004","16.554","0.005","90","","104.126","0.006","90","","3100.4","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dichlorobis(1,2-bis(dimethylphosphino)benzene)aluminium(III) tetrachloroaluminate","","- C20 H32 Al2 Cl6 P4 -","- C20 H32 Al2 Cl6 P4 -","- C80 H128 Al8 Cl24 P16 -","4","0.5","","Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian","Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14600","14611","10.1039/c4dt02051k","","","0.71073","MoKα","","0.0352","0.03","","","0.0648","0.0671","","","","","","1.079","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7031948","10.024","0.003","11.752","0.004","24.434","0.008","81.926","0.014","85.52","0.02","82.25","0.02","2818.7","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(benzene-1,2-diylbis(diphenylphosphane))dichloroaluminium(III) tetrachloroaluminate","","- C60 H48 Al2 Cl6 P4 -","- C60 H48 Al2 Cl6 P4 -","- C120 H96 Al4 Cl12 P8 -","2","1","","Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian","Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14600","14611","10.1039/c4dt02051k","","","0.71073","MoKα","","0.1354","0.0793","","","0.1594","0.1934","","","","","","1.081","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7031949","10.738","0.006","7.948","0.004","11.772","0.006","90","","113.938","0.009","90","","918.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(dimethylphosphino)ethane-bis(trichloroaluminium(III))","","- C6 H16 Al2 Cl6 P2 -","- C6 H16 Al2 Cl6 P2 -","- C12 H32 Al4 Cl12 P4 -","2","0.5","","Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian","Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14600","14611","10.1039/c4dt02051k","","","0.71073","MoKα","","0.0647","0.0506","","","0.0764","0.0805","","","","","","1.182","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7031950","19.631","0.005","16.157","0.004","34.831","0.008","90","","90","","90","","11048","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","dichlorobis(ethane-1,2-diylbis(dimethylphosphine))aluminium tetrachloroaluminate","","- C12 H32 Al2 Cl6 P4 -","- C12 H32 Al2 Cl6 P4 -","- C192 H512 Al32 Cl96 P64 -","16","2","","Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian","Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14600","14611","10.1039/c4dt02051k","","","0.71073","MoKα","","0.0871","0.0503","","","0.0985","0.1148","","","","","","1.051","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031951","8.251","0.002","9.83","0.002","11.921","0.003","113.905","0.008","91.329","0.006","103.39","0.007","852.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,2-bis(dicyclohexylphosphino)ethane-bis(trichloroaluminium)","","- C26 H48 Al2 Cl6 P2 -","- C26 H48 Al2 Cl6 P2 -","- C26 H48 Al2 Cl6 P2 -","1","0.5","","Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian","Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14600","14611","10.1039/c4dt02051k","","","0.71073","MoKα","","0.1743","0.0859","","","0.1751","0.2276","","","","","","1.035","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031952","14.7537","0.001","14.9361","0.001","10.9633","0.0008","90","","90","","90","","2415.9","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H18 Al2 As2 Cl8 -","- C11 H18 Al2 As2 Cl8 -","- C44 H72 Al8 As8 Cl32 -","4","1","","Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian","Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14600","14611","10.1039/c4dt02051k","","","0.71073","MoKα","","0.0499","0.0409","","","0.0954","0.1002","","","","","","1.041","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031953","14.599","0.005","20.672","0.007","11.006","0.005","90","","115.061","0.005","90","","3009","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis[(2-dimethylphosphanylphenyl)-dimethylphosphonium] tetrachloroaluminium(III) chloride","","- C20 H34 Al Cl5 P4 -","- C20 H34 Al Cl5 P4 -","- C80 H136 Al4 Cl20 P16 -","4","0.5","","Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian","Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14600","14611","10.1039/c4dt02051k","","","0.71073","MoKα","","0.0859","0.064","","","0.1041","0.1111","","","","","","1.158","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7031954","7.073","0.006","17.551","0.013","14.924","0.013","90","","101.682","0.015","90","","1814","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethane-1,2-diylbis(dicyclohexylphosphonium) tetrachloroaluminate","","- C26 H50 Al2 Cl8 P2 -","- C26 H50 Al2 Cl8 P2 -","- C52 H100 Al4 Cl16 P4 -","2","0.5","","Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian","Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14600","14611","10.1039/c4dt02051k","","","0.71073","MoKα","","0.1146","0.0884","","","0.1658","0.1786","","","","","","1.183","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7031955","14.834","0.007","21.144","0.008","11.274","0.005","90","","115.646","0.006","90","","3188","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 Al Br5 P4 -","- C20 H34 Al Br5 P4 -","- C80 H136 Al4 Br20 P16 -","4","0.5","","Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian","Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14600","14611","10.1039/c4dt02051k","","","0.71073","MoKα","","0.0382","0.0321","","","0.0532","0.0551","","","","","","1.071","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031956","19.106","0.003","19.106","0.003","11.496","0.002","90","","90","","120","","3634.3","1","293","2","293","2","","","","","","","","5","P 3","P 3","143","","","","- C52 H41 N9 O9 Zn2 -","- C52 H41 N9 O9 Zn2 -","- C156 H123 N27 O27 Zn6 -","3","1","","Wang, Yue; Qi, Yan; Blatov, Vladislav A.; Zheng, Jimin; Li, Qun; Zhang, Chao","Two new zinc(ii) coordination complexes with helix characteristics showing both interpenetration and self-catenation features: a platform for the synthesis of chiral and catenated structures assembled by length-modulated dicarboxylates.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15151","15158","10.1039/c4dt01431f","","","0.71073","MoKα","","0.1601","0.073","","","0.138","0.171","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031957","18.772","0.003","18.772","0.003","84.147","0.017","90","","90","","120","","25680","8","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C56 H48 N8 O15 Zn2 -","- C56 H48 N8 O15 Zn2 -","- C1008 H864 N144 O270 Zn36 -","18","0.5","","Wang, Yue; Qi, Yan; Blatov, Vladislav A.; Zheng, Jimin; Li, Qun; Zhang, Chao","Two new zinc(ii) coordination complexes with helix characteristics showing both interpenetration and self-catenation features: a platform for the synthesis of chiral and catenated structures assembled by length-modulated dicarboxylates.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15151","15158","10.1039/c4dt01431f","","","0.71073","MoKα","","0.1924","0.0902","","","0.1992","0.2445","","","","","","1.024","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031958","9.5264","0.0003","9.6015","0.0003","12.4043","0.0005","84.746","0.002","71.733","0.002","88.276","0.002","1072.89","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H50 Al2 Ca N6 -","- C45 H50 Al2 Ca N6 -","- C45 H50 Al2 Ca N6 -","1","0.5","","García-Rodríguez, Raúl; Bullock, Thomas H.; McPartlin, Mary; Wright, Dominic S.","Synthesis and structures of tris(2-pyridyl)aluminate sandwich compounds [{RAl(2-py')2}2M] (py' = 2-pyridyl, M = Ca, Mn, Fe).","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14045","14053","10.1039/c4dt00951g","","","0.71073","MoKα","","0.178","0.1048","","","0.2132","0.2583","","","","","","1.043","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031959","9.4064","0.0005","9.577","0.0005","12.336","0.0007","86.303","0.002","72.415","0.003","89.284","0.002","1057.13","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H50 Al2 Mn N6 -","- C45 H50 Al2 Mn N6 -","- C45 H50 Al2 Mn N6 -","1","0.5","","García-Rodríguez, Raúl; Bullock, Thomas H.; McPartlin, Mary; Wright, Dominic S.","Synthesis and structures of tris(2-pyridyl)aluminate sandwich compounds [{RAl(2-py')2}2M] (py' = 2-pyridyl, M = Ca, Mn, Fe).","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14045","14053","10.1039/c4dt00951g","","","0.71073","MoKα","","0.1416","0.1095","","","0.2775","0.3071","","","","","","1.054","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031960","9.538","0.0004","9.5762","0.0005","12.4193","0.0007","89.456","0.002","72.848","0.002","86.782","0.003","1082.16","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H50 Al2 Ca N6 -","- C45 H50 Al2 Ca N6 -","- C45 H50 Al2 Ca N6 -","1","0.5","","García-Rodríguez, Raúl; Bullock, Thomas H.; McPartlin, Mary; Wright, Dominic S.","Synthesis and structures of tris(2-pyridyl)aluminate sandwich compounds [{RAl(2-py')2}2M] (py' = 2-pyridyl, M = Ca, Mn, Fe).","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14045","14053","10.1039/c4dt00951g","","","0.71073","MoKα","","0.1995","0.1434","","","0.3512","0.4026","","","","","","1.023","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031961","9.4224","0.0002","9.4959","0.0002","12.33","0.0003","90.491","0.002","106.116","0.002","93.015","0.001","1058.09","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H50 Al2 Mn N6 -","- C45 H50 Al2 Mn N6 -","- C45 H50 Al2 Mn N6 -","1","0.5","","García-Rodríguez, Raúl; Bullock, Thomas H.; McPartlin, Mary; Wright, Dominic S.","Synthesis and structures of tris(2-pyridyl)aluminate sandwich compounds [{RAl(2-py')2}2M] (py' = 2-pyridyl, M = Ca, Mn, Fe).","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14045","14053","10.1039/c4dt00951g","","","0.71073","MoKα","","0.0882","0.0732","","","0.1872","0.2","","","","","","1.043","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031962","12.432","0.002","12.432","0.002","19.172","0.004","90","","90","","120","","2566.1","0.8","180","2","180","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C38 H42 Al2 Fe N6 -","- C37.94 H41.82 Al2 Fe N6 -","- C113.82 H125.46 Al6 Fe3 N18 -","3","0.333333","","García-Rodríguez, Raúl; Bullock, Thomas H.; McPartlin, Mary; Wright, Dominic S.","Synthesis and structures of tris(2-pyridyl)aluminate sandwich compounds [{RAl(2-py')2}2M] (py' = 2-pyridyl, M = Ca, Mn, Fe).","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14045","14053","10.1039/c4dt00951g","","","0.71073","MoKα","","0.1509","0.1381","","","0.4168","0.4458","","","","","","2.112","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031963","10.28","0.0008","10.297","0.001","18.271","0.002","90","","102.983","0.003","90","","1884.6","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Al2 Ca N6 -","- C38 H42 Al2 Ca N6 -","- C76 H84 Al4 Ca2 N12 -","2","0.5","","García-Rodríguez, Raúl; Bullock, Thomas H.; McPartlin, Mary; Wright, Dominic S.","Synthesis and structures of tris(2-pyridyl)aluminate sandwich compounds [{RAl(2-py')2}2M] (py' = 2-pyridyl, M = Ca, Mn, Fe).","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14045","14053","10.1039/c4dt00951g","","","0.71073","MoKα","","0.0774","0.0508","","","0.1242","0.1382","","","","","","1.087","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031964","10.7216","0.0003","16.928","0.0005","13.0438","0.0004","90","","100.93","0.001","90","","2324.44","0.12","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Al Li N3 O -","- C24 H31 Al Li N3 O -","- C96 H124 Al4 Li4 N12 O4 -","4","1","","García-Rodríguez, Raúl; Bullock, Thomas H.; McPartlin, Mary; Wright, Dominic S.","Synthesis and structures of tris(2-pyridyl)aluminate sandwich compounds [{RAl(2-py')2}2M] (py' = 2-pyridyl, M = Ca, Mn, Fe).","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14045","14053","10.1039/c4dt00951g","","","1.54184","CuKα","","0.0397","0.036","","","0.0971","0.1008","","","","","","1.031","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031965","11.7465","0.0006","19.5696","0.0009","16.2852","0.0008","90","","96.215","0.002","90","","3721.5","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Al2 Ca N6 -","- C40 H46 Al2 Ca N6 -","- C160 H184 Al8 Ca4 N24 -","4","1","","García-Rodríguez, Raúl; Bullock, Thomas H.; McPartlin, Mary; Wright, Dominic S.","Synthesis and structures of tris(2-pyridyl)aluminate sandwich compounds [{RAl(2-py')2}2M] (py' = 2-pyridyl, M = Ca, Mn, Fe).","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14045","14053","10.1039/c4dt00951g","","","1.54184","CuKα","","0.0491","0.0434","","","0.1123","0.1259","","","","","","1.104","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031966","12.457","0.002","12.457","0.002","22.235","0.004","90","","90","","120","","2988.1","0.9","180","2","180","2","","","","","","","","7","P 31","P 31","144","","","","- C40 H46 Al2 Cl Li Mn N6 -","- C40 H46 Al2 Cl Li Mn N6 -","- C120 H138 Al6 Cl3 Li3 Mn3 N18 -","3","1","","García-Rodríguez, Raúl; Bullock, Thomas H.; McPartlin, Mary; Wright, Dominic S.","Synthesis and structures of tris(2-pyridyl)aluminate sandwich compounds [{RAl(2-py')2}2M] (py' = 2-pyridyl, M = Ca, Mn, Fe).","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14045","14053","10.1039/c4dt00951g","","","0.71073","MoKα","","0.1446","0.0653","","","0.1468","0.1655","","","","","","0.979","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031967","12.543","0.001","12.543","0.001","22.339","0.002","90","","90","","120","","3043.7","0.4","250","2","250","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C40 H46 Al2 Cl Li Mn N6 -","- C38.6666 H45.9998 Al2 Cl Li Mn N6 -","- C116 H137.999 Al6 Cl3 Li3 Mn3 N18 -","3","0.333333","","García-Rodríguez, Raúl; Bullock, Thomas H.; McPartlin, Mary; Wright, Dominic S.","Synthesis and structures of tris(2-pyridyl)aluminate sandwich compounds [{RAl(2-py')2}2M] (py' = 2-pyridyl, M = Ca, Mn, Fe).","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14045","14053","10.1039/c4dt00951g","","","1.54184","CuKα","","0.0964","0.0962","","","0.2387","0.2389","","","","","","1.05","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031968","10.4524","0.0001","20.3151","0.0002","17.9079","0.0003","90","","114.358","0.001","90","","3464.11","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H55 N3 Pb -","- C35 H55 N3 Pb -","- C140 H220 N12 Pb4 -","4","1","","Harris, Lisa A.-M.; Tam, Eric C. Y.; Coles, Martyn P.; Fulton, J. Robin","Lead and tin β-diketiminato amido/anilido complexes: competitive nucleophilic reactivity at the β-diketiminato γ-carbon.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13803","13814","10.1039/c4dt01714e","","x-ray","0.71073","MoKα","","0.0353","0.0251","","","0.053","0.0564","","","","","","1.034","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031969","12.3216","0.0002","29.2568","0.0006","9.2746","0.0002","90","","103.849","0.001","90","","3246.21","0.11","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 N3 Pb -","- C35 H47 N3 Pb -","- C140 H188 N12 Pb4 -","4","1","","Harris, Lisa A.-M.; Tam, Eric C. Y.; Coles, Martyn P.; Fulton, J. Robin","Lead and tin β-diketiminato amido/anilido complexes: competitive nucleophilic reactivity at the β-diketiminato γ-carbon.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13803","13814","10.1039/c4dt01714e","","","0.71073","MoKα","","0.0314","0.025","","","0.0509","0.053","","","","","","1.056","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031970","27.135","0.001","9.337","0.001","34.163","0.004","90","","123.535","0.006","90","","7214.8","1.3","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H53 N3 Pb -","- C38 H53 N3 Pb -","- C304 H424 N24 Pb8 -","8","2","","Harris, Lisa A.-M.; Tam, Eric C. Y.; Coles, Martyn P.; Fulton, J. Robin","Lead and tin β-diketiminato amido/anilido complexes: competitive nucleophilic reactivity at the β-diketiminato γ-carbon.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13803","13814","10.1039/c4dt01714e","","x-ray","0.71073","MoKα","","0.0842","0.047","","","0.0763","0.0865","","","","","","1.068","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031971","9.2238","0.0001","11.4878","0.0002","19.2046","0.0003","100.743","0.001","102.609","0.001","99.018","0.001","1909.24","0.05","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C41 H59 N3 Pb -","- C41 H59 N3 Pb -","- C82 H118 N6 Pb2 -","2","1","","Harris, Lisa A.-M.; Tam, Eric C. Y.; Coles, Martyn P.; Fulton, J. Robin","Lead and tin β-diketiminato amido/anilido complexes: competitive nucleophilic reactivity at the β-diketiminato γ-carbon.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13803","13814","10.1039/c4dt01714e","","x-ray","0.71073","MoKα","","0.0305","0.0248","","","0.0478","0.0494","","","","","","1.031","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031972","13.2058","0.0002","14.646","0.0002","19.7011","0.0002","90","","99.491","0.001","90","","3758.27","0.09","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H96 I4 N4 Pb4 -","- C69 H96 I4 N4 Pb4 -","- C138 H192 I8 N8 Pb8 -","2","0.5","","Harris, Lisa A.-M.; Tam, Eric C. Y.; Coles, Martyn P.; Fulton, J. Robin","Lead and tin β-diketiminato amido/anilido complexes: competitive nucleophilic reactivity at the β-diketiminato γ-carbon.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13803","13814","10.1039/c4dt01714e","","x-ray","0.7107","MoKα","","0.0464","0.0348","","","0.0723","0.0762","","","","","","1.1","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031973","10.8899","0.0002","11.7384","0.0002","25.2778","0.0003","93.961","0.001","99.556","0.001","103.239","0.001","3082.37","0.09","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C137 H182 N10 O2 Sn2 -","- C137 H182 N10 O2 Sn2 -","- C137 H182 N10 O2 Sn2 -","1","0.5","","Harris, Lisa A.-M.; Tam, Eric C. Y.; Coles, Martyn P.; Fulton, J. Robin","Lead and tin β-diketiminato amido/anilido complexes: competitive nucleophilic reactivity at the β-diketiminato γ-carbon.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13803","13814","10.1039/c4dt01714e","","x-ray","0.71073","MoKα","","0.0496","0.0396","","","0.0957","0.1001","","","","","","1.052","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031974","9.3058","0.0001","19.5694","0.0003","27.4022","0.0004","90","","90","","90","","4990.19","0.12","173","2","173","2","","","","","","","synthesis as described","5","P c m n","-P 2n 2ac","62","","","","- C46 H68 N4 O Pb -","- C46 H68 N4 O Pb -","- C184 H272 N16 O4 Pb4 -","4","0.5","","Harris, Lisa A.-M.; Tam, Eric C. Y.; Coles, Martyn P.; Fulton, J. Robin","Lead and tin β-diketiminato amido/anilido complexes: competitive nucleophilic reactivity at the β-diketiminato γ-carbon.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13803","13814","10.1039/c4dt01714e","","x-ray","0.7107","MoKα","","0.0747","0.0588","","","0.1951","0.2115","","","","","","1.338","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031975","13.2095","0.0003","8.871","0.0002","26.1615","0.0005","90","","91.691","0.001","90","","3064.31","0.11","173","2","173","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 N2 -","- C36 H46 N2 -","- C144 H184 N8 -","4","1","","Harris, Lisa A.-M.; Tam, Eric C. Y.; Coles, Martyn P.; Fulton, J. Robin","Lead and tin β-diketiminato amido/anilido complexes: competitive nucleophilic reactivity at the β-diketiminato γ-carbon.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13803","13814","10.1039/c4dt01714e","","x-ray","0.71073","MoKα","","0.0744","0.0505","","","0.1195","0.1336","","","","","","1.008","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031976","17.7988","0.0007","22.978","0.001","7.6967","0.0003","90","","90","","90","","3147.8","0.2","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C32.5 H34 Cl3 Ir N O2 P -","- C32.5 H33 Cl3 Ir N O2 P -","- C130 H132 Cl12 Ir4 N4 O8 P4 -","4","1","","Carmona, Daniel; Lamata, Pilar; Sánchez, Antonio; Pardo, Pilar; Rodríguez, Ricardo; Ramírez, Paola; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Hydroxymethylpyridine containing half-sandwich complexes of Rh(iii), Ir(iii) or Ru(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15546","15559","10.1039/c4dt02171a","","","0.71069","MoKα","","0.0265","0.0251","","","0.0529","0.0533","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7031977","11.041","0.001","11.4271","0.0011","12.276","0.001","62.566","0.001","64.008","0.001","61.41","0.001","1158.95","0.18","100","2","100","2","","","","","","","Synthesis on the lab.","8","P -1","-P 1","2","","","","- C17 H23 Cl3 F6 N O Ru Sb -","- C17 H23 Cl3 F6 N O Ru Sb -","- C34 H46 Cl6 F12 N2 O2 Ru2 Sb2 -","2","1","","Carmona, Daniel; Lamata, Pilar; Sánchez, Antonio; Pardo, Pilar; Rodríguez, Ricardo; Ramírez, Paola; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Hydroxymethylpyridine containing half-sandwich complexes of Rh(iii), Ir(iii) or Ru(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15546","15559","10.1039/c4dt02171a","","","0.71073","MoKα","","0.0774","0.0532","","","0.121","0.1355","","","","","","0.844","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031978","8.0156","0.0004","12.8917","0.0007","20.384","0.001","90","0.005","90","0.005","90","0.005","2106.37","0.19","100","2","100","2","","","","","","","synthesis in the lab","8","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Cl F6 Ir N O Sb -","- C17 H24 Cl F6 Ir N O Sb -","- C68 H96 Cl4 F24 Ir4 N4 O4 Sb4 -","4","1","","Carmona, Daniel; Lamata, Pilar; Sánchez, Antonio; Pardo, Pilar; Rodríguez, Ricardo; Ramírez, Paola; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Hydroxymethylpyridine containing half-sandwich complexes of Rh(iii), Ir(iii) or Ru(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15546","15559","10.1039/c4dt02171a","","","0.71069","MoKα","","0.0754","0.0663","","","0.1246","0.1282","","","","","","1.172","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031979","32.966","0.002","12.6937","0.0008","23.6444","0.0015","90","0.005","124.259","0.001","90","0.005","8177.6","0.9","100","2","100","2","","","","","","","Synthesis in the lab","8","C 1 2 1","C 2y","5","","","","- C38 H39 F12 N2 O3 P Rh Sb2 -","- C38 H39 F12 N2 O3 P Rh Sb2 -","- C304 H312 F96 N16 O24 P8 Rh8 Sb16 -","8","2","","Carmona, Daniel; Lamata, Pilar; Sánchez, Antonio; Pardo, Pilar; Rodríguez, Ricardo; Ramírez, Paola; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Hydroxymethylpyridine containing half-sandwich complexes of Rh(iii), Ir(iii) or Ru(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15546","15559","10.1039/c4dt02171a","","","0.71069","MoKα","","0.1264","0.0736","","","0.1367","0.1574","","","","","","0.986","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031980","12.4981","0.0013","18.592","0.0019","20.181","0.002","90","","90","","90","","4689.4","0.8","100","2","100","2","","","","","","","Synthesis in the lab.","9","P 21 21 21","P 2ac 2ab","19","","","","- C40 H43 Cl2 F12 N2 O3 P Ru Sb2 -","- C40 H43 Cl2 F12 N2 O3 P Ru Sb2 -","- C160 H172 Cl8 F48 N8 O12 P4 Ru4 Sb8 -","4","1","","Carmona, Daniel; Lamata, Pilar; Sánchez, Antonio; Pardo, Pilar; Rodríguez, Ricardo; Ramírez, Paola; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Hydroxymethylpyridine containing half-sandwich complexes of Rh(iii), Ir(iii) or Ru(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15546","15559","10.1039/c4dt02171a","","","0.71073","MoKα","","0.0396","0.0351","","","0.082","0.0849","","","","","","1.088","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031981","12.052","0.0003","30.2136","0.0007","20.5874","0.0006","90","","99.114","0.003","90","","7401.9","0.3","120","1","120","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C128 H150 Cu3 F36 N8 O20 P4 -","- C128 H150 Cu3 F36 N8 O20 P4 -","- C256 H300 Cu6 F72 N16 O40 P8 -","2","0.5","","Reis, Samira G.; Del Águila-Sánchez, Miguel A; Guedes, Guilherme P.; Ferreira, Glaucio B.; Novak, Miguel A.; Speziali, Nivaldo L.; López-Ortiz, Fernando; Vaz, Maria G. F.","Synthesis, crystal structures and magnetic behaviour of four coordination compounds constructed with a phosphinic amide-TEMPO radical and [M(hfac)2] (M = Cu(II), Co(II) and Mn(II)).","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14889","14901","10.1039/c4dt01444h","","","0.71073","MoKα","","0.0821","0.0592","","","0.1429","0.1563","","","","","","1.035","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031982","13.0336","0.0009","13.2483","0.0009","16.602","0.0011","79.807","0.005","86.092","0.005","73.575","0.006","2705.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H94 Co3 F36 N4 O16 P2 -","- C86 H94 Co3 F36 N4 O16 P2 -","- C86 H94 Co3 F36 N4 O16 P2 -","1","0.5","","Reis, Samira G.; Del Águila-Sánchez, Miguel A; Guedes, Guilherme P.; Ferreira, Glaucio B.; Novak, Miguel A.; Speziali, Nivaldo L.; López-Ortiz, Fernando; Vaz, Maria G. F.","Synthesis, crystal structures and magnetic behaviour of four coordination compounds constructed with a phosphinic amide-TEMPO radical and [M(hfac)2] (M = Cu(II), Co(II) and Mn(II)).","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14889","14901","10.1039/c4dt01444h","","","0.71073","MoKα","","0.1543","0.0725","","","0.1703","0.2207","","","","","","1.012","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031983","28.2516","0.0007","28.2516","0.0007","17.7052","0.0009","90","","90","","90","","14131.5","0.9","120","2","120","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C31 H30 F12 Mn N2 O6 P -","- C31 H30 F12 Mn N2 O6 P -","- C496 H480 F192 Mn16 N32 O96 P16 -","16","1","","Reis, Samira G.; Del Águila-Sánchez, Miguel A; Guedes, Guilherme P.; Ferreira, Glaucio B.; Novak, Miguel A.; Speziali, Nivaldo L.; López-Ortiz, Fernando; Vaz, Maria G. F.","Synthesis, crystal structures and magnetic behaviour of four coordination compounds constructed with a phosphinic amide-TEMPO radical and [M(hfac)2] (M = Cu(II), Co(II) and Mn(II)).","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14889","14901","10.1039/c4dt01444h","","","0.71073","MoKα","","0.0758","0.051","","","0.12","0.1624","","","","","","1.064","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031984","28.414","0.004","28.414","0.004","18.162","0.004","90","","90","","90","","14663","4","293","2","293","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C31 H30 Co F12 N2 O6 P -","- C31 H30 Co F12 N2 O6 P -","- C496 H480 Co16 F192 N32 O96 P16 -","16","1","","Reis, Samira G.; Del Águila-Sánchez, Miguel A; Guedes, Guilherme P.; Ferreira, Glaucio B.; Novak, Miguel A.; Speziali, Nivaldo L.; López-Ortiz, Fernando; Vaz, Maria G. F.","Synthesis, crystal structures and magnetic behaviour of four coordination compounds constructed with a phosphinic amide-TEMPO radical and [M(hfac)2] (M = Cu(II), Co(II) and Mn(II)).","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14889","14901","10.1039/c4dt01444h","","","0.71073","MoKα","","0.0826","0.0528","","","0.1211","0.1466","","","","","","1.121","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031985","13.244","0.003","13.505","0.003","17.957","0.004","89.565","0.003","72.204","0.002","72.003","0.003","2895.1","1.1","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H58 Cl4 N8 O13 Zn2 -","- C56 H58 Cl4 N8 O13 Zn2 -","- C112 H116 Cl8 N16 O26 Zn4 -","2","1","","Zhang, Kun; Geng, Jiao; Jin, Chao; Huang, Wei","Distinguishable Zn(ii) and Pb(ii) template effects on forming pendant-armed Schiff-base macrocyclic complexes including a remarkable Pb(ii)-π macrocyclic complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15351","15358","10.1039/c4dt01927j","","","0.71073","MoKα","","0.0763","0.0469","","","0.1277","0.1397","","","","","","1","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031986","13.6893","0.0009","14.9431","0.001","15.5399","0.001","105.066","0.001","107.277","0.001","93.069","0.001","2901.5","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H56 Cl4 N8 O11 Zn2 -","- C55 H56 Cl4 N8 O11 Zn2 -","- C110 H112 Cl8 N16 O22 Zn4 -","2","1","","Zhang, Kun; Geng, Jiao; Jin, Chao; Huang, Wei","Distinguishable Zn(ii) and Pb(ii) template effects on forming pendant-armed Schiff-base macrocyclic complexes including a remarkable Pb(ii)-π macrocyclic complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15351","15358","10.1039/c4dt01927j","","","0.71073","MoKα","","0.1058","0.0794","","","0.1966","0.2098","","","","","","0.984","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031987","10.404","0.003","10.422","0.003","13.66","0.004","98.637","0.005","102.317","0.005","99.253","0.004","1401.9","0.7","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Cl2 N3 O3 Pb -","- C27 H25 Cl2 N3 O3 Pb -","- C54 H50 Cl4 N6 O6 Pb2 -","2","1","","Zhang, Kun; Geng, Jiao; Jin, Chao; Huang, Wei","Distinguishable Zn(ii) and Pb(ii) template effects on forming pendant-armed Schiff-base macrocyclic complexes including a remarkable Pb(ii)-π macrocyclic complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15351","15358","10.1039/c4dt01927j","","","0.71073","MoKα","","0.0526","0.0372","","","0.0802","0.0836","","","","","","0.916","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031988","20.254","0.008","10.682","0.003","13.612","0.004","90","","98.762","0.008","90","","2910.6","1.7","291","2","291","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C27 H26 Cl2 N4 O5 Pb -","- C27 H26 Cl2 N4 O5 Pb -","- C108 H104 Cl8 N16 O20 Pb4 -","4","0.5","","Zhang, Kun; Geng, Jiao; Jin, Chao; Huang, Wei","Distinguishable Zn(ii) and Pb(ii) template effects on forming pendant-armed Schiff-base macrocyclic complexes including a remarkable Pb(ii)-π macrocyclic complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15351","15358","10.1039/c4dt01927j","","","0.71073","MoKα","","0.0777","0.0691","","","0.1626","0.1659","","","","","","1.08","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031989","11.255","0.007","15.508","0.009","17.377","0.009","90","","112.5","0.03","90","","2802","3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H58 Cl4 N2 O12 Zn2 -","- C54 H58 Cl4 N2 O12 Zn2 -","- C108 H116 Cl8 N4 O24 Zn4 -","2","0.5","","Zhang, Kun; Geng, Jiao; Jin, Chao; Huang, Wei","Distinguishable Zn(ii) and Pb(ii) template effects on forming pendant-armed Schiff-base macrocyclic complexes including a remarkable Pb(ii)-π macrocyclic complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15351","15358","10.1039/c4dt01927j","","","0.71073","MoKα","","0.2268","0.0761","","","0.1358","0.1776","","","","","","0.879","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031990","20.2618","0.0013","11.2363","0.0007","22.8425","0.0016","90","","106.04","0.007","90","","4998","0.6","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C28 H33 Al N2 O -","- C28 H33 Al N2 O -","- C224 H264 Al8 N16 O8 -","8","1","","Bakthavachalam, K.; Rajagopal, Ashwene; Dastagiri Reddy, N.","N-Benzoylbenzamidinate complexes of aluminium: highly efficient initiators for the ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14816","14823","10.1039/c4dt02026j","","","0.71073","MoKα","","0.0702","0.0532","","","0.1386","0.1537","","","","","","1.04","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031991","13.1875","0.0005","17.1684","0.0009","20.1357","0.001","90","","90","","90","","4558.9","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H57 Al N4 O2 -","- C53 H57 Al N4 O2 -","- C212 H228 Al4 N16 O8 -","4","1","","Bakthavachalam, K.; Rajagopal, Ashwene; Dastagiri Reddy, N.","N-Benzoylbenzamidinate complexes of aluminium: highly efficient initiators for the ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14816","14823","10.1039/c4dt02026j","","","0.7107","MoKα","","0.1186","0.0632","","","0.0784","0.0952","","","","","","0.991","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031992","11.3761","0.0004","12.4523","0.0005","19.8133","0.0007","99.277","0.003","96.531","0.003","109.381","0.003","2570.54","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H45 Al N6 O3 -","- C60 H45 Al N6 O3 -","- C120 H90 Al2 N12 O6 -","2","1","","Bakthavachalam, K.; Rajagopal, Ashwene; Dastagiri Reddy, N.","N-Benzoylbenzamidinate complexes of aluminium: highly efficient initiators for the ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14816","14823","10.1039/c4dt02026j","","","0.71073","MoKα","","0.0937","0.0525","","","0.1136","0.1339","","","","","","0.905","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031993","14.0627","0.0004","15.4356","0.0005","15.5238","0.0005","77.733","0.002","81.791","0.002","85.786","0.002","3255.77","0.18","100","2","100","2","","","","","","","","9","P -1","-P 1","2","2b.2THF.EtOEt, [FeCl(k3,k2-(PNP-Ph)2)]BF4.2THF.EtOEt","2b.2THF.EtOEt [Fe(k^3^-P,N,P-PNP-Ph)(k^2^-P,N,P-PNP-Ph)Cl]BF~4~.2THF.EtOEt","","- C70 H76 B Cl F4 Fe N6 O3 P4 -","- C66 H66 B Cl F4 Fe N6 O2 P4 -","- C132 H132 B2 Cl2 F8 Fe2 N12 O4 P8 -","2","1","","Bichler, Bernhard; Glatz, Mathias; Stöger, Berthold; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl","An iron(ii) complex featuring κ(3) and labile κ(2)-bound PNP pincer ligands - striking differences between CH2 and NH spacers.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14517","14519","10.1039/c4dt01933d","","","0.71073","MoKα","","0.0692","0.055","","","0.1557","0.1645","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031994","25.036","0.0004","25.036","0.0004","35.764","0.001","90","","90","","120","","19413.6","0.7","223","2","223","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C63 H21 B3 F45 P3 -","- C63 H21 B3 F45 P3 -","- C756 H252 B36 F540 P36 -","12","0.333333","","Erdmann, Markus; Wiegand, Thomas; Blumenberg, Jonas; Eckert, Hellmut; Ren, Jinjun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation, structural characterization, and reactions of a unique cyclotrimeric vicinal Lewis pair containing (C6F5)2P-Lewis base and (C6F5)BH-Lewis acid components.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15159","15169","10.1039/c4dt02081b","","","1.54178","CuKα","","0.0518","0.0424","","","0.1088","0.1153","","","","","","1.03","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031995","10.1327","0.0003","18.2392","0.0007","14.6954","0.0005","90","","98.18","0.002","90","","2688.26","0.16","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 B F15 N P -","- C26 H12 B F15 N P -","- C104 H48 B4 F60 N4 P4 -","4","1","","Erdmann, Markus; Wiegand, Thomas; Blumenberg, Jonas; Eckert, Hellmut; Ren, Jinjun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation, structural characterization, and reactions of a unique cyclotrimeric vicinal Lewis pair containing (C6F5)2P-Lewis base and (C6F5)BH-Lewis acid components.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15159","15169","10.1039/c4dt02081b","","","1.54178","CuKα","","0.0551","0.0438","","","0.1084","0.1167","","","","","","1.043","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031996","9.5845","0.0002","11.8194","0.0004","15.2277","0.0004","105.663","0.002","102.191","0.002","90.409","0.001","1619.75","0.08","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 B F15 N P -","- C32 H22 B F15 N P -","- C64 H44 B2 F30 N2 P2 -","2","1","","Erdmann, Markus; Wiegand, Thomas; Blumenberg, Jonas; Eckert, Hellmut; Ren, Jinjun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation, structural characterization, and reactions of a unique cyclotrimeric vicinal Lewis pair containing (C6F5)2P-Lewis base and (C6F5)BH-Lewis acid components.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15159","15169","10.1039/c4dt02081b","","","0.71073","MoKα","","0.0964","0.0695","","","0.1238","0.1416","","","","","","1.124","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031997","18.51","0.005","16.894","0.004","13.924","0.006","90","","130.542","0.003","90","","3308.8","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Mg2 N4 O12 -","- C32 H16 Mg2 N4 O12 -","- C128 H64 Mg8 N16 O48 -","4","0.5","","Liu, Dan; Liu, Xiaojuan; Liu, Yongxin; Yu, Yang; Chen, Fanglin; Wang, Cheng","Host-guest interaction dictated selective adsorption and fluorescence quenching of a luminescent lightweight metal-organic framework toward liquid explosives.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15237","15244","10.1039/c4dt01883d","","","0.71073","MoKα","","0.0717","0.0565","","","0.1638","0.1782","","","","","","1.051","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031998","17.608","0.008","17.506","0.007","12.967","0.005","90","","127.619","0.006","90","","3166","2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Mg2 N2 O10 -","- C26 H16 Mg2 N2 O10 -","- C104 H64 Mg8 N8 O40 -","4","0.5","","Liu, Dan; Liu, Xiaojuan; Liu, Yongxin; Yu, Yang; Chen, Fanglin; Wang, Cheng","Host-guest interaction dictated selective adsorption and fluorescence quenching of a luminescent lightweight metal-organic framework toward liquid explosives.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15237","15244","10.1039/c4dt01883d","","","0.71073","MoKα","","0.1127","0.0762","","","0.2315","0.2674","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031999","16.557","0.002","18.311","0.003","11.9349","0.0017","90","","123.096","0.002","90","","3031.3","0.8","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Mg2 N4 O14 -","- C28 H16 Mg2 N4 O14 -","- C112 H64 Mg8 N16 O56 -","4","0.5","","Liu, Dan; Liu, Xiaojuan; Liu, Yongxin; Yu, Yang; Chen, Fanglin; Wang, Cheng","Host-guest interaction dictated selective adsorption and fluorescence quenching of a luminescent lightweight metal-organic framework toward liquid explosives.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15237","15244","10.1039/c4dt01883d","","","0.71073","MoKα","","0.0997","0.0696","","","0.1866","0.2167","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032000","18.0541","0.0016","17.2527","0.0014","13.4128","0.0011","90","","129.274","0.001","90","","3234.2","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Mg2 N4 O12 -","- C32 H30 Mg2 N4 O12 -","- C128 H120 Mg8 N16 O48 -","4","0.5","","Liu, Dan; Liu, Xiaojuan; Liu, Yongxin; Yu, Yang; Chen, Fanglin; Wang, Cheng","Host-guest interaction dictated selective adsorption and fluorescence quenching of a luminescent lightweight metal-organic framework toward liquid explosives.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15237","15244","10.1039/c4dt01883d","","","0.71073","MoKα","","0.0713","0.0631","","","0.1862","0.1962","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032001","17.3288","0.0019","17.7491","0.0019","12.857","0.0014","90","","126.53","0.002","90","","3177.6","0.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Mg2 N4 O14 -","- C30 H26 Mg2 N4 O14 -","- C120 H104 Mg8 N16 O56 -","4","0.5","","Liu, Dan; Liu, Xiaojuan; Liu, Yongxin; Yu, Yang; Chen, Fanglin; Wang, Cheng","Host-guest interaction dictated selective adsorption and fluorescence quenching of a luminescent lightweight metal-organic framework toward liquid explosives.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15237","15244","10.1039/c4dt01883d","","","0.71073","MoKα","","0.0883","0.0614","","","0.1588","0.1804","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032002","18.1876","0.0015","17.2441","0.0014","13.5313","0.0011","90","","129.505","0.001","90","","3274.4","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Mg2 N4 O12 -","- C32 H30 Mg2 N4 O12 -","- C128 H120 Mg8 N16 O48 -","4","0.5","","Liu, Dan; Liu, Xiaojuan; Liu, Yongxin; Yu, Yang; Chen, Fanglin; Wang, Cheng","Host-guest interaction dictated selective adsorption and fluorescence quenching of a luminescent lightweight metal-organic framework toward liquid explosives.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15237","15244","10.1039/c4dt01883d","","","0.71073","MoKα","","0.0828","0.0654","","","0.1806","0.1969","","","","","","1.065","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032003","19.2119","0.0013","16.1935","0.0011","14.0617","0.0017","90","","130.113","0.001","90","","3345.7","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 Mg2 N4 O14 -","- C38 H18 Mg2 N4 O14 -","- C152 H72 Mg8 N16 O56 -","4","0.5","","Liu, Dan; Liu, Xiaojuan; Liu, Yongxin; Yu, Yang; Chen, Fanglin; Wang, Cheng","Host-guest interaction dictated selective adsorption and fluorescence quenching of a luminescent lightweight metal-organic framework toward liquid explosives.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15237","15244","10.1039/c4dt01883d","","","0.71073","MoKα","","0.1008","0.0873","","","0.2544","0.269","","","","","","1.106","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032004","18.119","0.0016","17.2294","0.0015","13.478","0.0012","90","","129.38","0.001","90","","3252.3","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Mg2 N4 O12 -","- C32 H30 Mg2 N4 O12 -","- C128 H120 Mg8 N16 O48 -","4","0.5","","Liu, Dan; Liu, Xiaojuan; Liu, Yongxin; Yu, Yang; Chen, Fanglin; Wang, Cheng","Host-guest interaction dictated selective adsorption and fluorescence quenching of a luminescent lightweight metal-organic framework toward liquid explosives.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15237","15244","10.1039/c4dt01883d","","","0.71073","MoKα","","0.0796","0.0663","","","0.1875","0.1994","","","","","","1.083","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032005","15.6262","0.0018","8.4836","0.001","22.772","0.003","90","","90","","90","","3018.8","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H13 Cl3 Fe N3 -","- C12 H13 Cl3 Fe N3 -","- C96 H104 Cl24 Fe8 N24 -","8","2","","Xu, Beibei; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Liu, Jian; Wu, Li; Feng, Yonggang; Liu, Xiaoming","Iron(iii) complexes of multidentate pyridinyl ligands: synthesis, characterization and catalysis of the direct hydroxylation of benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15337","15345","10.1039/c4dt02032d","","","0.71073","MoKα","","0.0234","0.0212","","","0.0553","0.0563","","","","","","1.048","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032006","13.725","0.002","14.961","0.002","8.2443","0.0012","90","","92.129","0.002","90","","1691.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl3 Fe N3 -","- C15 H15 Cl3 Fe N3 -","- C60 H60 Cl12 Fe4 N12 -","4","1","","Xu, Beibei; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Liu, Jian; Wu, Li; Feng, Yonggang; Liu, Xiaoming","Iron(iii) complexes of multidentate pyridinyl ligands: synthesis, characterization and catalysis of the direct hydroxylation of benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15337","15345","10.1039/c4dt02032d","","","0.71073","MoKα","","0.0271","0.0233","","","0.0624","0.065","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032007","30.029","0.004","33.845","0.005","9.7572","0.0014","90","","90","","90","","9917","2","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22.5 H23 Cl4 Fe N6 -","- C22.5 H23 Cl4 Fe N6 -","- C360 H368 Cl64 Fe16 N96 -","16","1","","Xu, Beibei; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Liu, Jian; Wu, Li; Feng, Yonggang; Liu, Xiaoming","Iron(iii) complexes of multidentate pyridinyl ligands: synthesis, characterization and catalysis of the direct hydroxylation of benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15337","15345","10.1039/c4dt02032d","","","0.71073","MoKα","","0.0285","0.0275","","","0.0713","0.0776","","","","","","1.09","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032008","8.948","0.0008","8.8509","0.0008","32.824","0.003","90","","96.049","0.001","90","","2585.1","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cl2 F6 Fe N6 P -","- C22 H22 Cl2 F6 Fe N6 P -","- C88 H88 Cl8 F24 Fe4 N24 P4 -","4","1","","Xu, Beibei; Zhong, Wei; Wei, Zhenhong; Wang, Hailong; Liu, Jian; Wu, Li; Feng, Yonggang; Liu, Xiaoming","Iron(iii) complexes of multidentate pyridinyl ligands: synthesis, characterization and catalysis of the direct hydroxylation of benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15337","15345","10.1039/c4dt02032d","","","0.71073","MoKα","","0.094","0.0544","","","0.1251","0.1437","","","","","","1.023","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032009","9.018","0.005","10.724","0.005","11.165","0.005","110.244","0.005","105.196","0.005","101.431","0.005","926.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 N2 O Pd S -","- C22 H18 N2 O Pd S -","- C44 H36 N4 O2 Pd2 S2 -","2","1","","Chicote, María-Teresa; Rubio, Concepción; Bautista, Delia; Vicente, José","Stepwise cyclopalladation of 2-phenacylthiopyridine to give C,C,N-pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15170","15182","10.1039/c4dt02085e","","","0.71073","MoKα","","0.0206","0.0186","","","0.0459","0.0468","","","","","","1.113","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032010","5.7973","0.0006","16.3154","0.0017","18.2287","0.0018","90","","93.927","0.004","90","","1720.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Br Cl3 N O Pd S -","- C14 H11 Br Cl3 N O Pd S -","- C56 H44 Br4 Cl12 N4 O4 Pd4 S4 -","4","1","","Chicote, María-Teresa; Rubio, Concepción; Bautista, Delia; Vicente, José","Stepwise cyclopalladation of 2-phenacylthiopyridine to give C,C,N-pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15170","15182","10.1039/c4dt02085e","","","0.71073","MoKα","","0.0477","0.0463","","","0.1136","0.1143","","","","","","1.182","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032011","33.973","0.003","11.7646","0.0011","15.7365","0.0014","90","","109.394","0.003","90","","5932.7","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N2 O6 Pd2 S2 -","- C30 H26 N2 O6 Pd2 S2 -","- C240 H208 N16 O48 Pd16 S16 -","8","1","","Chicote, María-Teresa; Rubio, Concepción; Bautista, Delia; Vicente, José","Stepwise cyclopalladation of 2-phenacylthiopyridine to give C,C,N-pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15170","15182","10.1039/c4dt02085e","","","0.71073","MoKα","","0.0458","0.0337","","","0.0711","0.0744","","","","","","1.197","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7032012","8.9933","0.0005","10.5938","0.0006","17.9914","0.001","79.8632","0.0008","79.6103","0.0007","84.0189","0.0008","1655.02","0.16","100","2","100","2","","","","","","","Prepared in the lab","5","P -1","-P 1","2","","","","- C40.25 H48.5 B Cl0.5 Rh -","- C40.25 H48 B Cl0.5 Rh -","- C80.5 H96 B2 Cl Rh2 -","2","1","","Pérez-Torrente, Jesús J; Angoy, Marta; Gómez-Bautista, Daniel; Palacios, Adrián; Jiménez, M Victoria; Modrego, F. Javier; Castarlenas, Ricardo; Lahoz, Fernando J.; Oro, Luis A.","Synthesis and dynamic behaviour of zwitterionic [M(η(6)-C6H5-BPh3)(coe)2] (M = Rh, Ir) cyclooctene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14778","14786","10.1039/c4dt02105c","","","0.71073","MoKα","","0.0556","0.0459","","","0.1185","0.1257","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032013","9.0451","0.0009","10.6166","0.001","18.0547","0.0017","78.6882","0.0012","79.865","0.0013","83.4888","0.0011","1668","0.3","173","2","100","2","","","","","","","Prepared in the lab","5","P -1","-P 1","2","","","","- C40.25 H48.5 B Cl0.5 Ir -","- C40.25 H48 B Cl0.5 Ir -","- C80.5 H96 B2 Cl Ir2 -","2","1","","Pérez-Torrente, Jesús J; Angoy, Marta; Gómez-Bautista, Daniel; Palacios, Adrián; Jiménez, M Victoria; Modrego, F. Javier; Castarlenas, Ricardo; Lahoz, Fernando J.; Oro, Luis A.","Synthesis and dynamic behaviour of zwitterionic [M(η(6)-C6H5-BPh3)(coe)2] (M = Rh, Ir) cyclooctene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14778","14786","10.1039/c4dt02105c","","","0.71073","MoKα","","0.0517","0.0458","","","0.1085","0.1116","","","","","","1.158","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032014","9.2201","0.0011","9.2201","0.0011","6.5289","0.0008","90","","90","","120","","480.66","0.1","100","1","100","1","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- C6 H15 Sb Se -","- C6 H15 Sb Se -","- C12 H30 Sb2 Se2 -","2","0.166667","","Heimann, Stefan; Bläser, Dieter; Wölper, Christoph; Haack, Rebekka; Jansen, Georg; Schulz, Stephan","The bonding situation in triethylchalcogenostiboranes - polarized single bonds vs. double bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14772","14777","10.1039/c4dt01940g","","","0.71073","MoKα","","0.0197","0.0195","","","0.0494","0.0495","","","","","","1.228","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032015","11.5607","0.0006","10.8911","0.0006","8.6408","0.0004","90","","96.575","0.003","90","","1080.8","0.1","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H15 Br2 Sb -","- C6 H15 Br2 Sb -","- C24 H60 Br8 Sb4 -","4","1","","Heimann, Stefan; Bläser, Dieter; Wölper, Christoph; Haack, Rebekka; Jansen, Georg; Schulz, Stephan","The bonding situation in triethylchalcogenostiboranes - polarized single bonds vs. double bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14772","14777","10.1039/c4dt01940g","","","0.71073","MoKα","","0.0355","0.0246","","","0.0451","0.0473","","","","","","1.09","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032016","9.2365","0.0005","9.2365","0.0005","6.3367","0.0007","90","","90","","120","","468.18","0.06","150","1","150","1","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C6 H15 S Sb -","- C6 H15 S Sb -","- C12 H30 S2 Sb2 -","2","0.333333","","Heimann, Stefan; Bläser, Dieter; Wölper, Christoph; Haack, Rebekka; Jansen, Georg; Schulz, Stephan","The bonding situation in triethylchalcogenostiboranes - polarized single bonds vs. double bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14772","14777","10.1039/c4dt01940g","","","0.71073","MoKα","","0.0355","0.0325","","","0.0752","0.077","","","","","","1.155","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032017","18.978","0.004","14.475","0.003","12.923","0.003","90","","107.184","0.006","90","","3391.6","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Co2 N16 O8 -","- C24 H26 Co2 N16 O8 -","- C96 H104 Co8 N64 O32 -","4","1","","Mandal, Leena; Mohanta, Sasankasekhar","Unprecedented dinuclear Robson type macrocyclic complexes having two +iii metal ions in two compartments and the role of the diimino moiety on the stability of metal ion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15737","15751","10.1039/c4dt01647e","","","0.71073","MoKα","","0.1535","0.0622","","","0.1348","0.1691","","","","","","1.048","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032018","18.194","0.005","14.847","0.004","12.669","0.004","90","","91.267","0.004","90","","3421.4","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Co2 N16 O6 -","- C24 H26 Co2 N16 O6 -","- C96 H104 Co8 N64 O24 -","4","1","","Mandal, Leena; Mohanta, Sasankasekhar","Unprecedented dinuclear Robson type macrocyclic complexes having two +iii metal ions in two compartments and the role of the diimino moiety on the stability of metal ion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15737","15751","10.1039/c4dt01647e","","","0.71073","MoKα","","0.09","0.06","","","0.1668","0.1879","","","","","","1.064","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032019","27.05","0.02","13.151","0.011","23.69","0.03","90","","124.351","0.009","90","","6958","12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H74 Co4 N32 O11 -","- C52 H60 Co4 N32 O11 -","- C208 H240 Co16 N128 O44 -","4","0.5","","Mandal, Leena; Mohanta, Sasankasekhar","Unprecedented dinuclear Robson type macrocyclic complexes having two +iii metal ions in two compartments and the role of the diimino moiety on the stability of metal ion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15737","15751","10.1039/c4dt01647e","","","0.71073","MoKα","","0.101","0.0583","","","0.1608","0.1864","","","","","","1.046","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032020","20.067","0.002","14.5737","0.0016","13.3345","0.0014","90","","106.924","0.003","90","","3730.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H76 Co4 N34 O9 -","- C56 H66 Co4 N34 O9 -","- C112 H132 Co8 N68 O18 -","2","0.5","","Mandal, Leena; Mohanta, Sasankasekhar","Unprecedented dinuclear Robson type macrocyclic complexes having two +iii metal ions in two compartments and the role of the diimino moiety on the stability of metal ion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15737","15751","10.1039/c4dt01647e","","","0.71073","MoKα","","0.1117","0.0794","","","0.2128","0.2343","","","","","","1.186","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032021","13.058","0.006","20.926","0.01","25.25","0.012","90","","98.881","0.006","90","","6817","6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H76 Co4 N26 O8 -","- C56 H68 Co4 N26 O7 -","- C224 H272 Co16 N104 O28 -","4","1","","Mandal, Leena; Mohanta, Sasankasekhar","Unprecedented dinuclear Robson type macrocyclic complexes having two +iii metal ions in two compartments and the role of the diimino moiety on the stability of metal ion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15737","15751","10.1039/c4dt01647e","","","0.71073","MoKα","","0.1246","0.0837","","","0.1968","0.2162","","","","","","1.029","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032022","13.5457","0.001","20.5805","0.0016","25.681","0.002","90","","101.222","0.003","90","","7022.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Co2 N13 O3 -","- C30 H38 Co2 N13 O3 -","- C240 H304 Co16 N104 O24 -","8","2","","Mandal, Leena; Mohanta, Sasankasekhar","Unprecedented dinuclear Robson type macrocyclic complexes having two +iii metal ions in two compartments and the role of the diimino moiety on the stability of metal ion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15737","15751","10.1039/c4dt01647e","","","0.71073","MoKα","","0.0892","0.058","","","0.1852","0.227","","","","","","1.06","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032023","12.9718","0.0016","20.614","0.003","25.402","0.003","90","","99.677","0.002","90","","6695.9","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H36.04 Co2 N13.5 O2.27 -","- C28 H34 Co2 N13 O2 -","- C224 H272 Co16 N104 O16 -","8","2","","Mandal, Leena; Mohanta, Sasankasekhar","Unprecedented dinuclear Robson type macrocyclic complexes having two +iii metal ions in two compartments and the role of the diimino moiety on the stability of metal ion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15737","15751","10.1039/c4dt01647e","","","0.71073","MoKα","","0.0891","0.0505","","","0.1062","0.1181","","","","","","0.991","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032024","17.3467","0.0003","17.1048","0.0003","24.5607","0.0004","90","","107.689","0.001","90","","6942.9","0.2","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43.35 H56.4 F14 N12 Ni3 O14.85 P4 -","- C43.35 H48 F14 N12 Ni3 O14.85 P4 -","- C173.4 H192 F56 N48 Ni12 O59.4 P16 -","4","1","","Dermitzaki, Despina; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Stamatatos, Theocharis C.","Unexpected metal ion-assisted transformations leading to unexplored bridging ligands in Ni(II) coordination chemistry: the case of PO3F(2-) group.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14520","14524","10.1039/c4dt02204a","","","1.54178","CuKα","","0.0967","0.0796","","","0.238","0.2621","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032025","13.4305","0.0002","13.7894","0.0002","15.9761","0.0002","90","","112.968","0.001","90","","2724.19","0.07","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 F6 N7 Ni O6 P -","- C21 H24 F6 N7 Ni O6 P -","- C84 H96 F24 N28 Ni4 O24 P4 -","4","1","","Dermitzaki, Despina; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Stamatatos, Theocharis C.","Unexpected metal ion-assisted transformations leading to unexplored bridging ligands in Ni(II) coordination chemistry: the case of PO3F(2-) group.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14520","14524","10.1039/c4dt02204a","","","1.54178","CuKα","","0.0514","0.0493","","","0.1296","0.1315","","","","","","1.062","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032026","10.3339","0.0001","12.97","0.0001","13.7335","0.0002","90","","104.312","0.001","90","","1783.58","0.03","160","2","160","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 F2 N8 Ni2 O12 P2 -","- C28 H36 F2 N8 Ni2 O12 P2 -","- C56 H72 F4 N16 Ni4 O24 P4 -","2","0.5","","Dermitzaki, Despina; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Stamatatos, Theocharis C.","Unexpected metal ion-assisted transformations leading to unexplored bridging ligands in Ni(II) coordination chemistry: the case of PO3F(2-) group.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14520","14524","10.1039/c4dt02204a","","","1.54178","CuKα","","0.0379","0.035","","","0.088","0.0901","","","","","","1.043","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032027","11.9266","0.0006","18.004","0.0011","13.3621","0.0008","90","","111.294","0.001","90","","2673.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15.2 H19.1 F2 N4.6 Ni O7.65 P2 -","- C15.2 H16 F2 N4.6 Ni O7.65 P2 -","- C60.8 H64 F8 N18.4 Ni4 O30.6 P8 -","4","1","","Dermitzaki, Despina; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Stamatatos, Theocharis C.","Unexpected metal ion-assisted transformations leading to unexplored bridging ligands in Ni(II) coordination chemistry: the case of PO3F(2-) group.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14520","14524","10.1039/c4dt02204a","","","1.54178","CuKα","","0.1761","0.1065","","","0.2618","0.3231","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032028","18.3285","0.0016","13.1608","0.0011","7.6191","0.0007","90","","104.262","0.004","90","","1781.2","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 N7 O8 S2 Zn -","- C13 H9 N7 O8 S2 Zn -","- C52 H36 N28 O32 S8 Zn4 -","4","0.5","","Bansal, Deepak; Kumar, Gulshan; Hundal, Geeta; Gupta, Rajeev","Mononuclear complexes of amide-based ligands containing appended functional groups: role of secondary coordination spheres on catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14865","14875","10.1039/c4dt02079k","","","0.71073","MoKα","","0.0231","0.0212","","","0.0591","0.0602","","","","","","1.034","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032029","8.983","0.003","9.998","0.005","11.87","0.004","114.861","0.004","98.299","0.002","95.304","0.005","943.1","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H18 Cd2 N13 O14 S4 -","- C27 H18 Cd2 N13 O14 S4 -","- C27 H18 Cd2 N13 O14 S4 -","1","0.5","","Bansal, Deepak; Kumar, Gulshan; Hundal, Geeta; Gupta, Rajeev","Mononuclear complexes of amide-based ligands containing appended functional groups: role of secondary coordination spheres on catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14865","14875","10.1039/c4dt02079k","","","0.71073","MoKα","","0.0897","0.0668","","","0.18","0.2019","","","","","","1.028","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032030","18.227","0.007","13.241","0.005","8.076","0.003","90","","105.998","0.002","90","","1873.6","1.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 N7 O8 S2 Zn -","- C13 H13 N7 O8 S2 Zn -","- C52 H52 N28 O32 S8 Zn4 -","4","0.5","","Bansal, Deepak; Kumar, Gulshan; Hundal, Geeta; Gupta, Rajeev","Mononuclear complexes of amide-based ligands containing appended functional groups: role of secondary coordination spheres on catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14865","14875","10.1039/c4dt02079k","","","0.71073","MoKα","","0.0663","0.0386","","","0.089","0.0994","","","","","","1.009","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032031","18.417","0.004","12.981","0.005","8.292","0.004","90","","105.024","0.003","90","","1914.6","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 Cd N7 O8 S2 -","- C13 H13 Cd N7 O8 S2 -","- C52 H52 Cd4 N28 O32 S8 -","4","0.5","","Bansal, Deepak; Kumar, Gulshan; Hundal, Geeta; Gupta, Rajeev","Mononuclear complexes of amide-based ligands containing appended functional groups: role of secondary coordination spheres on catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14865","14875","10.1039/c4dt02079k","","","0.71073","MoKα","","0.0538","0.0367","","","0.062","0.0697","","","","","","1.109","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032032","12.7166","0.0004","22.4097","0.0008","9.7068","0.0003","90","","100.694","0.003","90","","2718.15","0.16","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Mn N5 Na0 O6 S2 -","- C25 H27 Mn N5 O6 S2 -","- C100 H108 Mn4 N20 O24 S8 -","4","1","","Bansal, Deepak; Kumar, Gulshan; Hundal, Geeta; Gupta, Rajeev","Mononuclear complexes of amide-based ligands containing appended functional groups: role of secondary coordination spheres on catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14865","14875","10.1039/c4dt02079k","","","0.71073","MoKα","","0.0378","0.0327","","","0.0844","0.0873","","","","","","0.948","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032033","10.8773","0.0004","11.0243","0.0004","11.6197","0.0004","99.96","0.003","116.96","0.004","105.062","0.003","1128.77","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","bis(m2-Cyano)-diaqua-tricyano-nitrosyl-bis(N,N'-(1,2-benzene)- bis(salicylideneiminato)-N,N',O,O')-tri-iron(ii,iii)) methanole solvate","","- C47 H40 Fe3 N10 O9 -","- C47 H40 Fe3 N10 O9 -","- C47 H40 Fe3 N10 O9 -","1","0.5","","Nemec, Ivan; Herchel, Radovan; Silha, Tomáš; Trávníček, Zdeněk","Towards a better understanding of magnetic exchange mediated by hydrogen bonds in Mn(iii)/Fe(iii) salen-type supramolecular dimers.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15602","15616","10.1039/c4dt02025a","","","0.71073","MoKα","","0.0415","0.035","","","0.0912","0.0928","","","","","","1.11","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032034","23.0051","0.0007","13.7936","0.0004","14.786","0.0004","90","","96.407","0.003","90","","4662.6","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(m-Cyano)-diaqua-tricyano-nitrosyl-bis(N,N'-ethylene-bis(3- ethoxysalicylideneiminato)-N,N',O,O')-tri-iron(ii,iii))","","- C45 H48 Fe3 N10 O11 -","- C45 H48 Fe3 N10 O11 -","- C180 H192 Fe12 N40 O44 -","4","0.5","","Nemec, Ivan; Herchel, Radovan; Silha, Tomáš; Trávníček, Zdeněk","Towards a better understanding of magnetic exchange mediated by hydrogen bonds in Mn(iii)/Fe(iii) salen-type supramolecular dimers.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15602","15616","10.1039/c4dt02025a","","","0.71073","MoKα","","0.0295","0.0238","","","0.0625","0.0638","","","","","","1.043","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032035","13.2","0.0011","13.1797","0.0008","14.86","0.002","90","","116.958","0.008","90","","2304.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(m-Cyano)-diaqua-tricyano-nitrosyl-bis(N,N'-ethylene-bis(3- ethoxysalicylideneiminato)-N,N',O,O')-iron(ii)-di-manganese(iii))","","- C45 H48 Fe Mn2 N10 O11 -","- C45 H48 Fe Mn2 N10 O11 -","- C90 H96 Fe2 Mn4 N20 O22 -","2","0.5","","Nemec, Ivan; Herchel, Radovan; Silha, Tomáš; Trávníček, Zdeněk","Towards a better understanding of magnetic exchange mediated by hydrogen bonds in Mn(iii)/Fe(iii) salen-type supramolecular dimers.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15602","15616","10.1039/c4dt02025a","","","0.71073","MoKα","","0.0972","0.0469","","","0.089","0.0965","","","","","","0.875","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032036","13.651","0.005","13.387","0.005","15.434","0.004","90","","120.29","0.02","90","","2435.5","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(m2-Cyano)-diaqua-tricyano-nitrosyl-bis(N,N'-(1,2-propylene-bis(3- ethoxysalicylideneiminato)-N,N',O,O')-tri-iron(ii,iii))","","- C47 H52 Fe3 N10 O11 -","- C47 H52 Fe3 N10 O11 -","- C94 H104 Fe6 N20 O22 -","2","0.5","","Nemec, Ivan; Herchel, Radovan; Silha, Tomáš; Trávníček, Zdeněk","Towards a better understanding of magnetic exchange mediated by hydrogen bonds in Mn(iii)/Fe(iii) salen-type supramolecular dimers.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15602","15616","10.1039/c4dt02025a","","","0.71069","MoKα","","0.0417","0.0303","","","0.0837","0.0861","","","","","","1.052","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032037","10.6373","0.0003","15.3822","0.0004","18.2505","0.0005","78.98","0.002","79.305","0.002","73.46","0.002","2782.45","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(aqua-methanole(N,N'-(ethane-1,2-diylbis(nitrilomethylylidene))dinaphthalen-2- olato-N,N')-manganesse(iii) (m-Cyano)-methanole-tricyano-nitrosyl(N,N'-(ethane- 1,2-diylbis(nitrilomethylylidene))dinaphthalen-2-olato-N,N')-iron(ii) methanole solvate monohydrate","","- C62.5 H50 Fe Mn2 N10 O10.5 -","- C62.683 H50 Fe Mn2 N10 O10.317 -","- C125.366 H100 Fe2 Mn4 N20 O20.634 -","2","1","","Nemec, Ivan; Herchel, Radovan; Silha, Tomáš; Trávníček, Zdeněk","Towards a better understanding of magnetic exchange mediated by hydrogen bonds in Mn(iii)/Fe(iii) salen-type supramolecular dimers.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15602","15616","10.1039/c4dt02025a","","","0.71073","MoKα","","0.0735","0.0426","","","0.0946","0.1","","","","","","1.009","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032038","17.556","0.007","13.84","0.006","15.138","0.006","90","","92.799","0.007","90","","3674","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 As Cl2 N2 Pd -","- C39 H39 As Cl2 N2 Pd -","- C156 H156 As4 Cl8 N8 Pd4 -","4","1","","Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei","A new library of arsine, stibine-stabilized N-heterocyclic carbene palladium complexes: synthesis, structures and activities in C-C and C-N coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14114","14122","10.1039/c4dt01773k","","","0.71073","MoKα","","0.0719","0.0495","","","0.1364","0.1522","","","","","","1.049","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032039","19.8365","0.0019","13.9429","0.0013","14.4872","0.0014","90","","91.925","0.001","90","","4004.6","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H41 Cl4 N2 Pd Sb -","- C40 H41 Cl4 N2 Pd Sb -","- C160 H164 Cl16 N8 Pd4 Sb4 -","4","1","","Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei","A new library of arsine, stibine-stabilized N-heterocyclic carbene palladium complexes: synthesis, structures and activities in C-C and C-N coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14114","14122","10.1039/c4dt01773k","","","0.71073","MoKα","","0.0349","0.0277","","","0.0641","0.0687","","","","","","1.03","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032040","24.87","0.006","19.199","0.005","18.773","0.004","90","","101.939","0.005","90","","8770","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C181 H206 As4 Cl10 N8 Pd4 -","- C181 H206 As4 Cl10 N8 Pd4 -","- C362 H412 As8 Cl20 N16 Pd8 -","2","0.5","","Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei","A new library of arsine, stibine-stabilized N-heterocyclic carbene palladium complexes: synthesis, structures and activities in C-C and C-N coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14114","14122","10.1039/c4dt01773k","","","0.71073","MoKα","","0.1354","0.0525","","","0.1043","0.1352","","","","","","0.997","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032041","31.143","0.006","13.853","0.003","23.658","0.005","90","","114.411","0.003","90","","9294","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C91 H104 Cl6 N4 Pd2 Sb2 -","- C91 H104 Cl6 N4 Pd2 Sb2 -","- C364 H416 Cl24 N16 Pd8 Sb8 -","4","0.5","","Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei","A new library of arsine, stibine-stabilized N-heterocyclic carbene palladium complexes: synthesis, structures and activities in C-C and C-N coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14114","14122","10.1039/c4dt01773k","","","0.71073","MoKα","","0.0436","0.0308","","","0.0688","0.0765","","","","","","1.016","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032042","17.317","0.006","13.876","0.005","15.02","0.005","90","","92.337","0.005","90","","3606","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H41 As Cl2 N2 Pd -","- C39 H41 As Cl2 N2 Pd -","- C156 H164 As4 Cl8 N8 Pd4 -","4","1","","Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei","A new library of arsine, stibine-stabilized N-heterocyclic carbene palladium complexes: synthesis, structures and activities in C-C and C-N coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14114","14122","10.1039/c4dt01773k","","","0.71073","MoKα","","0.0388","0.0297","","","0.0737","0.0797","","","","","","1.043","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032043","19.78","0.003","13.9846","0.0017","14.4282","0.0018","90","","92.037","0.002","90","","3988.5","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 Cl4 N2 Pd Sb -","- C40 H43 Cl4 N2 Pd Sb -","- C160 H172 Cl16 N8 Pd4 Sb4 -","4","1","","Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei","A new library of arsine, stibine-stabilized N-heterocyclic carbene palladium complexes: synthesis, structures and activities in C-C and C-N coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14114","14122","10.1039/c4dt01773k","","","0.71073","MoKα","","0.0337","0.0266","","","0.0677","0.073","","","","","","1.011","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032044","10.684","0.004","12.179","0.005","35.633","0.013","90","","93.22","0.006","90","","4629","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H54 As Cl3 N2 Pd -","- C45 H53 As Cl2 N2 Pd -","- C180 H212 As4 Cl8 N8 Pd4 -","4","1","","Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei","A new library of arsine, stibine-stabilized N-heterocyclic carbene palladium complexes: synthesis, structures and activities in C-C and C-N coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14114","14122","10.1039/c4dt01773k","","","0.71073","MoKα","","0.0419","0.0348","","","0.073","0.0751","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032045","25.982","0.005","25.982","0.005","12.486","0.002","90","","90","","120","","7300","2","296","2","296","2","","","","","","","","6","P 65","P 65","170","","","","- C45 H53 Cl2 N2 Pd Sb -","- C45 H53 Cl2 N2 Pd Sb -","- C270 H318 Cl12 N12 Pd6 Sb6 -","6","1","","Yang, Jin; Li, Pinhua; Zhang, Yicheng; Wang, Lei","A new library of arsine, stibine-stabilized N-heterocyclic carbene palladium complexes: synthesis, structures and activities in C-C and C-N coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14114","14122","10.1039/c4dt01773k","","","0.71073","MoKα","","0.0454","0.0397","","","0.0988","0.1028","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032046","14.3881","0.0004","17.1311","0.0006","26.0983","0.001","90","","90","","90","","6432.8","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 Cl2 N3 O3 Pd -","- C28 H31 Cl2 N3 O3 Pd -","- C224 H248 Cl16 N24 O24 Pd8 -","8","2","","Anisimova, Tatyana B.; Guedes da Silva, M Fátima C; Kukushkin, Vadim Yu; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Metal-mediated coupling of amino acid esters with isocyanides leading to new chiral acyclic aminocarbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15861","15871","10.1039/c4dt01917b","","","0.71069","MoKα","","0.054","0.0439","","","0.1335","0.1447","","","","","","0.684","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032047","12.7792","0.0007","16.8591","0.0009","17.8453","0.001","90","","90","","90","","3844.7","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H56 Cl5 N3 O4 Pd -","- C28 H36 Cl5 N3 O2 Pd -","- C112 H144 Cl20 N12 O8 Pd4 -","4","1","","Anisimova, Tatyana B.; Guedes da Silva, M Fátima C; Kukushkin, Vadim Yu; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Metal-mediated coupling of amino acid esters with isocyanides leading to new chiral acyclic aminocarbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15861","15871","10.1039/c4dt01917b","","","0.71069","MoKα","","0.1128","0.0659","","","0.1555","0.1744","","","","","","0.957","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032048","24.1788","0.0006","12.3145","0.0004","24.91","0.0006","90","","104.494","0.001","90","","7180.9","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H30 Cl7 N3 O2 Pd -","- C26 H30 Cl7 N3 O2 Pd -","- C208 H240 Cl56 N24 O16 Pd8 -","8","4","","Anisimova, Tatyana B.; Guedes da Silva, M Fátima C; Kukushkin, Vadim Yu; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Metal-mediated coupling of amino acid esters with isocyanides leading to new chiral acyclic aminocarbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15861","15871","10.1039/c4dt01917b","","","0.71069","MoKα","","0.0612","0.0487","","","0.1242","0.1307","","","","","","1.038","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032049","9.3639","0.0002","14.8451","0.0003","18.9144","0.0004","90","","90","","90","","2629.25","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H39 Cl2 N3 O2 Pd -","- C23 H39 Cl2 N3 O2 Pd -","- C92 H156 Cl8 N12 O8 Pd4 -","4","1","","Anisimova, Tatyana B.; Guedes da Silva, M Fátima C; Kukushkin, Vadim Yu; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Metal-mediated coupling of amino acid esters with isocyanides leading to new chiral acyclic aminocarbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15861","15871","10.1039/c4dt01917b","","","0.71069","MoKα","","0.0336","0.0264","","","0.0556","0.0588","","","","","","0.947","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032050","11.089","0.003","9.429","0.004","13.503","0.007","90","","93.98","0.04","90","","1408.4","1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H39 I2 N3 O2 Pd -","- C23 H39 I2 N3 O2 Pd -","- C46 H78 I4 N6 O4 Pd2 -","2","1","","Anisimova, Tatyana B.; Guedes da Silva, M Fátima C; Kukushkin, Vadim Yu; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Metal-mediated coupling of amino acid esters with isocyanides leading to new chiral acyclic aminocarbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15861","15871","10.1039/c4dt01917b","","","0.71073","MoKα","","0.0231","0.0206","","","0.0507","0.0525","","","","","","0.817","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032051","19.0145","0.0011","16.8284","0.001","25.3054","0.0015","90","","104.402","0.002","90","","7842.9","0.8","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C80 H73 Cl F12 Ir N8 O2 P2 Ru -","- C80 H73 Cl F12 Ir N8 O2 P2 Ru -","- C320 H292 Cl4 F48 Ir4 N32 O8 P8 Ru4 -","4","1","","Tripathy, Suman Kumar; De, Umasankar; Dehury, Niranjan; Pal, Satyanarayan; Kim, Hyung Sik; Patra, Srikanta","Dinuclear [{(p-cym)RuCl}2(μ-phpy)](PF6)2 and heterodinuclear [(ppy)2Ir(μ-phpy)Ru(p-cym)Cl](PF6)2 complexes: synthesis, structure and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14546","14549","10.1039/c4dt01033g","","","0.71073","MoKα","","0.2206","0.0911","","","0.1616","0.2066","","","","","","1.022","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032052","7.06272","0.00035","7.06272","0.00035","6.32218","0.00033","90","","90","","120","","273.11","0.02","300","","300","","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Ca1.08 Cs1.08 Gd1.92 O12 P3 -","- Ca1.0785 Cs1.0785 Gd1.9215 O12 P3 -","- Ca1.0785 Cs1.0785 Gd1.9215 O12 P3 -","1","0.0833333","","Geng, Kang; Xia, Zhiguo; Molokeev, Maxim S.","Crystal structure and luminescence property of a novel blue-emitting Cs2xCa2xGd2(1-x)(PO4)2:Eu(2+) (x = 0.36) phosphor.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14092","14098","10.1039/c4dt01578a","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","2.133","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7032053","7.6404","0.0015","6.3146","0.0012","24.268","0.005","90","","93.497","0.004","90","","1168.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cu F N3 O3 -","- C9 H10 Cu F N3 O3 -","- C36 H40 Cu4 F4 N12 O12 -","4","1","","Liu, Xiangyu; Chen, Sanping; Grancha, Thais; Pardo, Emilio; Ke, Hongshan; Yin, Bing; Wei, Qing; Xie, Gang; Gao, Shengli","A triple-bridged azido-Cu(ii) chain compound fine-tuned by mixed carboxylate/ethanol linkers displays slow-relaxation and ferromagnetic order: synthesis, crystal structure, magnetic properties and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15359","15366","10.1039/c4dt02195a","","","0.71073","MoKα","","0.1176","0.0567","","","0.1235","0.1542","","","","","","1.001","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032054","12.1291","0.0003","12.872","0.0003","14.2573","0.0004","88.228","0.001","85.036","0.002","70.42","0.001","2089.35","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H57 N7 O3 S -","- C44 H57 N7 O3 S -","- C88 H114 N14 O6 S2 -","2","1","","Rocha, Bruno G. M.; Mac Leod, Tatiana C. O.; Guedes da Silva, M Fátima C; Luzyanin, Konstantin V.; Martins, Luísa M D R S; Pombeiro, Armando J. L.","Ni(II), Cu(II) and Zn(II) complexes with a sterically hindered scorpionate ligand (Tpms(Ph)) and catalytic application in the diasteroselective nitroaldol (Henry) reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15192","15200","10.1039/c4dt01509f","","","0.71069","MoKα","","0.0548","0.0402","","","0.0961","0.1026","","","","","","1.025","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032055","16.8172","0.0011","10.6453","0.0006","22.5966","0.0014","90","","119.202","0.003","90","","3531.2","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Cl Cu N6 O4 S -","- C28 H23 Cl Cu N6 O4 S -","- C112 H92 Cl4 Cu4 N24 O16 S4 -","4","1","","Rocha, Bruno G. M.; Mac Leod, Tatiana C. O.; Guedes da Silva, M Fátima C; Luzyanin, Konstantin V.; Martins, Luísa M D R S; Pombeiro, Armando J. L.","Ni(II), Cu(II) and Zn(II) complexes with a sterically hindered scorpionate ligand (Tpms(Ph)) and catalytic application in the diasteroselective nitroaldol (Henry) reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15192","15200","10.1039/c4dt01509f","","","0.71073","MoKα","","0.1202","0.0677","","","0.1638","0.1816","","","","","","0.883","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032056","17.62","0.004","8.6155","0.0017","17.542","0.004","90","","98.87","0.03","90","","2631.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Rh(Cp*)(N3)2(PPh3)","Rh(Cp*)(N3)2(PPh3)","","- C28 H30 N6 P Rh -","- C28 H30 N6 P Rh -","- C112 H120 N24 P4 Rh4 -","4","1","","Portius, Peter; Meijer, Anthony J. H. M.; Towrie, Michael; Crozier, Benjamin F.; Schiager, Ingrid","Picosecond time-resolved infrared spectroscopy of rhodium and iridium azides.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17694","17702","10.1039/c4dt02097a","","","0.71073","MoKα","","0.09","0.0457","","","0.0874","0.1015","","","","","","0.994","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7032057","8.9247","0.0018","19.807","0.004","9.876","0.002","90","","104.41","0.03","90","","1690.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N11 O2 Zn2 -","- C12 H11 N11 O2 Zn2 -","- C48 H44 N44 O8 Zn8 -","4","1","","Wang, Yan-Ning; Li, Guang-Hua; Bai, Fu-Quan; Yu, Jie-Hui; Xu, Ji-Qing","New Zn(2+) coordination polymers constructed from acylhydrazidate molecules: synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15617","15627","10.1039/c4dt01877j","","","0.71073","MoKα","","0.0539","0.0424","","","0.1104","0.1169","","","","","","1.038","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032058","12.4252","0.0006","12.964","0.0009","10.3932","0.0005","90","","117.276","0.003","90","","1487.99","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N13 O2 Zn2 -","- C10 H8 N13 O2 Zn2 -","- C40 H32 N52 O8 Zn8 -","4","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Bai, Fu-Quan; Yu, Jie-Hui; Xu, Ji-Qing","New Zn(2+) coordination polymers constructed from acylhydrazidate molecules: synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15617","15627","10.1039/c4dt01877j","","","0.71073","MoKα","","0.0213","0.0199","","","0.0511","0.0518","","","","","","1.064","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032059","8.5477","0.0017","18.368","0.004","18.434","0.004","90","","94.61","0.03","90","","2884.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 N2 O6 Zn -","- C15 H10 N2 O6 Zn -","- C120 H80 N16 O48 Zn8 -","8","1","","Wang, Yan-Ning; Li, Guang-Hua; Bai, Fu-Quan; Yu, Jie-Hui; Xu, Ji-Qing","New Zn(2+) coordination polymers constructed from acylhydrazidate molecules: synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15617","15627","10.1039/c4dt01877j","","","0.71073","MoKα","","0.0434","0.0318","","","0.0742","0.0786","","","","","","1.059","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032060","17.057","0.003","17.711","0.004","29.241","0.006","90","","104.59","0.03","90","","8549","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H60 Ag Cl35 Mo10 N8 -","- C32 H60 Ag Cl35 Mo10 N8 -","- C128 H240 Ag4 Cl140 Mo40 N32 -","4","0.5","","Freudenmann, Dominic; Feldmann, Claus","The chloridomolybdenum(iii) cluster in [BMIm]4[AgMo10Cl35] with infinite chains of Ag(+)-linked [Mo10Cl35](5-) wheels.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14109","14113","10.1039/c4dt01100g","","","0.71073","MoKα","","0.0748","0.0409","","","0.0849","0.0939","","","","","","0.875","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032061","16.2167","0.0013","14.178","0.0011","16.7183","0.0013","90","","104.34","0.0008","90","","3724.1","0.5","143","2","143","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Gd -","- C20 H30 Gd -","- C160 H240 Gd8 -","8","1","","Liu, Shan-Shan; Gao, Song; Ziller, Joseph W.; Evans, William J.","Structural complexity in the rare earth metallocene hydride complexes, [(C5Me5)2LnH]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15526","15531","10.1039/c4dt02194k","","","0.71073","MoKα","","0.03","0.0269","","","0.0661","0.0677","","","","","","1.106","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7032062","16.1651","0.0013","14.1669","0.0011","16.6568","0.0013","90","","104.117","0.0009","90","","3699.4","0.5","143","2","143","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H62 Tb2 -","- C40 H62 Tb2 -","- C160 H248 Tb8 -","4","0.5","","Liu, Shan-Shan; Gao, Song; Ziller, Joseph W.; Evans, William J.","Structural complexity in the rare earth metallocene hydride complexes, [(C5Me5)2LnH]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15526","15531","10.1039/c4dt02194k","","","0.71073","MoKα","","0.0244","0.0209","","","0.0532","0.055","","","","","","1.043","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032063","10.9652","0.0007","31.175","0.002","12.5094","0.0008","90","","99.6529","0.0007","90","","4215.7","0.5","83","2","83","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C47 H70 Dy2 -","- C47 H70 Dy2 -","- C188 H280 Dy8 -","4","1","","Liu, Shan-Shan; Gao, Song; Ziller, Joseph W.; Evans, William J.","Structural complexity in the rare earth metallocene hydride complexes, [(C5Me5)2LnH]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15526","15531","10.1039/c4dt02194k","","","0.71073","MoKα","","0.0235","0.0216","","","0.0433","0.044","","","","","","1.202","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032064","10.6726","0.0006","10.7773","0.0006","17.0691","0.0009","100.744","0.0005","103.49","0.0005","97.8657","0.0006","1841.97","0.18","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H62 Dy2 -","- C40 H62 Dy2 -","- C80 H124 Dy4 -","2","1","","Liu, Shan-Shan; Gao, Song; Ziller, Joseph W.; Evans, William J.","Structural complexity in the rare earth metallocene hydride complexes, [(C5Me5)2LnH]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15526","15531","10.1039/c4dt02194k","","","0.71073","MoKα","","0.0225","0.02","","","0.0472","0.0484","","","","","","1.017","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032065","36.6284","0.0004","36.6284","0.0004","27.5127","0.0005","90","","90","","120","","31966.8","0.8","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C75 H56 Ag2 O9.22 P4 -","- C75 H56 Ag2 O9.2 P4 -","- C1350 H1008 Ag36 O165.6 P72 -","18","0.5","","Zhang, Jianyong; Yang, Qiuli; Zhu, Yixuan; Liu, Haoliang; Chi, Zhenguo; Su, Cheng-Yong","Tetraphenylethylene-based phosphine: tuneable emission and carbon dioxide fixation.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15785","15790","10.1039/c4dt01808g","","","1.54184","CuKα","","0.1345","0.1076","","","0.3131","0.3455","","","","","","1.357","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032066","10.2344","0.0002","20.304","0.0004","17.4171","0.0003","90","","99.92","0.001","90","","3565.15","0.12","152","2","152","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","turro1971","","","- C30 H30 F12 N6 P2 Ru -","- C30 H30 F12 N6 P2 Ru -","- C120 H120 F48 N24 P8 Ru4 -","4","1","","Albani, Bryan A.; Durr, Christopher B.; Peña, Bruno; Dunbar, Kim R.; Turro, Claudia","Isomerization initiated by photoinduced ligand dissociation in Ru(ii) complexes with the ligand 2-p-tolylpyridinecarboxaldimine.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17828","17837","10.1039/c4dt02016b","","x-ray","0.71073","MoKα","","0.064","0.044","","","0.1112","0.1219","","","","","","1.027","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032067","10.9107","0.0003","15.4227","0.0004","23.2585","0.0006","103.492","0.001","102.447","0.001","98.567","0.001","3633.56","0.17","152","2","152","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 F12 N6 P2 Ru -","- C30 H30 F12 N6 P2 Ru -","- C120 H120 F48 N24 P8 Ru4 -","4","2","","Albani, Bryan A.; Durr, Christopher B.; Peña, Bruno; Dunbar, Kim R.; Turro, Claudia","Isomerization initiated by photoinduced ligand dissociation in Ru(ii) complexes with the ligand 2-p-tolylpyridinecarboxaldimine.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17828","17837","10.1039/c4dt02016b","","x-ray","0.71073","MoKα","","0.0811","0.0517","","","0.1424","0.1546","","","","","","1.081","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032068","7.9218","0.0001","11.0249","0.0001","11.9521","0.0001","88.284","0.001","73.575","0.001","82.065","0.001","991.63","0.018","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","turro1966","","","- C34 H36 F12 N8 P2 Ru -","- C34 H36 F12 N8 P2 Ru -","- C34 H36 F12 N8 P2 Ru -","1","0.5","","Albani, Bryan A.; Durr, Christopher B.; Peña, Bruno; Dunbar, Kim R.; Turro, Claudia","Isomerization initiated by photoinduced ligand dissociation in Ru(ii) complexes with the ligand 2-p-tolylpyridinecarboxaldimine.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17828","17837","10.1039/c4dt02016b","","x-ray","0.71073","MoKα","","0.0344","0.0291","","","0.082","0.0967","","","","","","1.197","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032069","17.9182","0.0004","14.9211","0.0003","13.9631","0.0002","90","","110.621","0.001","90","","3493.98","0.12","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 F12 N6 P2 Ru -","- C30 H30 F12 N6 P2 Ru -","- C120 H120 F48 N24 P8 Ru4 -","4","0.5","","Albani, Bryan A.; Durr, Christopher B.; Peña, Bruno; Dunbar, Kim R.; Turro, Claudia","Isomerization initiated by photoinduced ligand dissociation in Ru(ii) complexes with the ligand 2-p-tolylpyridinecarboxaldimine.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17828","17837","10.1039/c4dt02016b","","x-ray","0.71073","MoKα","","0.0355","0.0273","","","0.0714","0.0848","","","","","","1.192","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032070","14.0071","0.0001","14.1691","0.0002","15.9424","0.0002","90","","92.672","0.001","90","","3160.62","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 F12 N6 P2 Ru -","- C27 H26 F12 N6 P2 Ru -","- C108 H104 F48 N24 P8 Ru4 -","4","1","","Albani, Bryan A.; Durr, Christopher B.; Peña, Bruno; Dunbar, Kim R.; Turro, Claudia","Isomerization initiated by photoinduced ligand dissociation in Ru(ii) complexes with the ligand 2-p-tolylpyridinecarboxaldimine.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17828","17837","10.1039/c4dt02016b","","x-ray","0.71073","MoKα","","0.0592","0.0388","","","0.1007","0.1215","","","","","","1.102","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032071","10.4476","0.0005","11.4883","0.0006","13.8038","0.0008","89.276","0.002","70.185","0.002","72.949","0.003","1483.24","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F12 N7 P2 Ru -","- C25 H23 F12 N7 P2 Ru -","- C50 H46 F24 N14 P4 Ru2 -","2","1","","Albani, Bryan A.; Durr, Christopher B.; Peña, Bruno; Dunbar, Kim R.; Turro, Claudia","Isomerization initiated by photoinduced ligand dissociation in Ru(ii) complexes with the ligand 2-p-tolylpyridinecarboxaldimine.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17828","17837","10.1039/c4dt02016b","","x-ray","0.71073","MoKα","","0.065","0.0453","","","0.1091","0.1183","","","","","","1.085","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032072","18.183","0.002","15.535","0.002","18.873","0.002","90","","116.427","0.003","90","","4774","1","123","","123","","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H94 B4 F16 Mo4 N10 O8 P4 -","- C84 H94 B4 F16 Mo4 N10 O8 P4 -","- C168 H188 B8 F32 Mo8 N20 O16 P8 -","2","0.5","","Höhne, Dominik; Herdtweck, Eberhardt; Pöthig, Alexander; Kühn, Fritz E","Loop shaped dicarboxylate-bridged dimolybdenum(ii) bisphosphine compounds - a rational synthesis.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15367","15374","10.1039/c4dt01560f","","x-ray","0.71073","MoKα","","0.0389","0.0361","","","0.1008","0.1036","","","","","","1.034","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032073","12.4049","0.0005","18.0187","0.0007","24.6268","0.001","74.092","0.002","88.172","0.002","81.785","0.002","5239.3","0.4","123","","123","","","","","","","","","8","P -1","-P 1","2","","","","- C94 H110 B4 F16 Mo4 N10 O8 P4 -","- C94 H110 B4 F16 Mo4 N10 O8 P4 -","- C188 H220 B8 F32 Mo8 N20 O16 P8 -","2","1","","Höhne, Dominik; Herdtweck, Eberhardt; Pöthig, Alexander; Kühn, Fritz E","Loop shaped dicarboxylate-bridged dimolybdenum(ii) bisphosphine compounds - a rational synthesis.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15367","15374","10.1039/c4dt01560f","","x-ray","0.71073","MoKα","","0.0717","0.0533","","","0.1247","0.1408","","","","","","1.066","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032074","12.1083","0.0005","13.8771","0.0007","14.4185","0.0007","80.788","0.004","68.599","0.004","80.297","0.004","2210.53","0.19","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C47 H33.5 B2 F8 Fe N9.5 O4 -","- C47 H24 B2 F8 Fe N9.5 O4 -","- C94 H48 B4 F16 Fe2 N19 O8 -","2","1","","Seredyuk, Maksym; Znovjyak, Kateryna O.; Kusz, Joachim; Nowak, Maria; Muñoz, M Carmen; Real, Jose Antonio","Control of the spin state by charge and ligand substitution: two-step spin crossover behaviour in a novel neutral iron(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16387","16394","10.1039/c4dt01885k","","","0.71073","MoKα","","0.1003","0.0693","","","0.1961","0.2494","","","","","","0.895","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032075","12.4989","0.0002","22.3803","0.0005","13.5727","0.0003","90","","92.489","0.002","90","","3793.1","0.13","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 Cl6 Fe N8 O -","- C40 H26 Cl6 Fe N8 O -","- C160 H104 Cl24 Fe4 N32 O4 -","4","1","","Seredyuk, Maksym; Znovjyak, Kateryna O.; Kusz, Joachim; Nowak, Maria; Muñoz, M Carmen; Real, Jose Antonio","Control of the spin state by charge and ligand substitution: two-step spin crossover behaviour in a novel neutral iron(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16387","16394","10.1039/c4dt01885k","","","0.71073","MoKα","","0.0551","0.0497","","","0.1297","0.1349","","","","","","1.032","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032076","17.304","0.0009","11.3617","0.0006","19.0159","0.001","90","","90","","90","","3738.6","0.3","120","1","120","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C40 H28 B2 F8 Fe N8 -","- C40 H28 B2 F8 Fe N8 -","- C160 H112 B8 F32 Fe4 N32 -","4","0.5","","Seredyuk, Maksym; Znovjyak, Kateryna O.; Kusz, Joachim; Nowak, Maria; Muñoz, M Carmen; Real, Jose Antonio","Control of the spin state by charge and ligand substitution: two-step spin crossover behaviour in a novel neutral iron(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16387","16394","10.1039/c4dt01885k","","","0.71073","MoKα","","0.1354","0.087","","","0.1937","0.241","","","","","","1.097","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032077","10.9911","0.0002","21.4295","0.0003","16.4722","0.0003","90","","92.524","0.002","90","","3876","0.11","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 Cl6 Fe N8 -","- C42 H28 Cl6 Fe N8 -","- C168 H112 Cl24 Fe4 N32 -","4","1","","Seredyuk, Maksym; Znovjyak, Kateryna O.; Kusz, Joachim; Nowak, Maria; Muñoz, M Carmen; Real, Jose Antonio","Control of the spin state by charge and ligand substitution: two-step spin crossover behaviour in a novel neutral iron(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16387","16394","10.1039/c4dt01885k","","","0.71073","MoKα","","0.0491","0.0442","","","0.1098","0.1145","","","","","","1.042","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032078","11.0736","0.0004","21.6336","0.0008","16.6271","0.0004","90","","95.904","0.003","90","","3962.1","0.2","185","1","185","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 Cl6 Fe N8 -","- C42 H28 Cl6 Fe N8 -","- C168 H112 Cl24 Fe4 N32 -","4","1","","Seredyuk, Maksym; Znovjyak, Kateryna O.; Kusz, Joachim; Nowak, Maria; Muñoz, M Carmen; Real, Jose Antonio","Control of the spin state by charge and ligand substitution: two-step spin crossover behaviour in a novel neutral iron(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16387","16394","10.1039/c4dt01885k","","","0.71073","MoKα","","0.1018","0.085","","","0.22","0.2407","","","","","","1.067","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032079","11.1767","0.0003","21.7921","0.0007","16.8683","0.0004","90","","97.143","0.002","90","","4076.6","0.2","250","1","250","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 Cl6 Fe N8 -","- C42 H28 Cl6 Fe N8 -","- C168 H112 Cl24 Fe4 N32 -","4","1","","Seredyuk, Maksym; Znovjyak, Kateryna O.; Kusz, Joachim; Nowak, Maria; Muñoz, M Carmen; Real, Jose Antonio","Control of the spin state by charge and ligand substitution: two-step spin crossover behaviour in a novel neutral iron(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16387","16394","10.1039/c4dt01885k","","","0.71073","MoKα","","0.0903","0.0707","","","0.1855","0.2081","","","","","","1.028","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032080","11.8651","0.0019","13.2312","0.0018","13.288","0.0016","61.735","0.014","79.118","0.011","65.68","0.014","1674.2","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H28 B10 N6 O25.15 V3 Zn -","- C8 H28 B10 N6 O25.145 V3 Zn -","- C16 H56 B20 N12 O50.29 V6 Zn2 -","2","1","","Chen, Hong; Zhang, Yunfeng; Yu, Zheng-Bao; Sun, Junliang","Layered V-B-O polyoxometalate nets linked by diethylenetriamine complexes with dangling amine groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15283","15286","10.1039/c4dt01533a","","","0.71073","MoKα","","0.0824","0.0615","","","0.1675","0.1805","","","","","","1.07","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032081","18.0955","0.0002","18.0955","0.0002","30.0074","0.0005","90","","90","","120","","8509.42","0.19","298","2","298","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C24 H86 B6 Cu3 N18 O73 P12 V12 -","- C24 H85.98 B6 Cu3 N18 O73 P12 V12 -","- C72 H257.94 B18 Cu9 N54 O219 P36 V36 -","3","0.166667","","Chen, Hong; Zhang, Yunfeng; Yu, Zheng-Bao; Sun, Junliang","Layered V-B-O polyoxometalate nets linked by diethylenetriamine complexes with dangling amine groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15283","15286","10.1039/c4dt01533a","","","0.71073","MoKα","","0.0849","0.0674","","","0.206","0.2177","","","","","","1.11","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032082","20.128","0.0011","13.3625","0.0009","21.559","0.0013","90","","97.256","0.005","90","","5752.1","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- B20 O50 V6 -","- B20 O50 V6 -","- B80 O200 V24 -","4","0.5","","Chen, Hong; Zhang, Yunfeng; Yu, Zheng-Bao; Sun, Junliang","Layered V-B-O polyoxometalate nets linked by diethylenetriamine complexes with dangling amine groups.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15283","15286","10.1039/c4dt01533a","","","0.6998","MoKα","","0.1051","0.0764","","","0.1971","0.2143","","","","","","0.975","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032083","8.2182","0.0002","12.9877","0.0003","20.2391","0.0005","90","","90","","90","","2160.23","0.09","297","2","297","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33 Cl N O P Pd -","- C19 H33 Cl N O P Pd -","- C76 H132 Cl4 N4 O4 P4 Pd4 -","4","1","","Khake, Shrikant M.; Soni, Vineeta; Gonnade, Rajesh G.; Punji, Benudhar","Design and development of POCN-pincer palladium catalysts for C-H bond arylation of azoles with aryl iodides.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16084","16096","10.1039/c4dt01547a","","","0.71073","MoKα","","0.0303","0.026","","","0.0601","0.0623","","","","","","1.01","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032084","13.4029","0.0016","8.1183","0.001","21.221","0.003","90","","103.85","0.008","90","","2241.9","0.5","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 Cl N O P Pd -","- C21 H37 Cl N O P Pd -","- C84 H148 Cl4 N4 O4 P4 Pd4 -","4","1","","Khake, Shrikant M.; Soni, Vineeta; Gonnade, Rajesh G.; Punji, Benudhar","Design and development of POCN-pincer palladium catalysts for C-H bond arylation of azoles with aryl iodides.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16084","16096","10.1039/c4dt01547a","","","0.71073","MoKα","","0.0672","0.0465","","","0.0989","0.1079","","","","","","1.04","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032085","9.4288","0.0006","12.9976","0.0008","6.3958","0.0004","90","","91.616","0.002","90","","783.5","0.08","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-chloro-mono-piperazine-iron(II)","","- C4 H10 Cl2 Fe N2 -","- C4 H10 Cl2 Fe N2 -","- C16 H40 Cl8 Fe4 N8 -","4","0.5","","Schönfeld, F; Wirthensohn, R.; Schmitt, H.-C.; Constantinidis, P.; Fischer, I.; Müller-Buschbaum, K","Tuning of the dimensional linkage from the complex to the framework by thermal conversion in the system Fe/Cl/piperazine.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15398","15406","10.1039/c4dt01987c","","","0.71073","MoKα","","0.0228","0.0176","","","0.0352","0.0369","","","","","","1.09","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032086","7.146","0.0013","8.3668","0.0016","11.438","0.002","108.112","0.006","98.174","0.006","101.691","0.006","620.8","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","Piperazino-di-chloro-tri-piperazine-iron(II)","","- C8 H20 Cl2 Fe N4 -","- C8 H19 Cl2 Fe N4 -","- C16 H38 Cl4 Fe2 N8 -","2","1","","Schönfeld, F; Wirthensohn, R.; Schmitt, H.-C.; Constantinidis, P.; Fischer, I.; Müller-Buschbaum, K","Tuning of the dimensional linkage from the complex to the framework by thermal conversion in the system Fe/Cl/piperazine.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15398","15406","10.1039/c4dt01987c","","","0.71073","MoKα","","0.0315","0.0274","","","0.0665","0.0691","","","","","","1.04","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032087","6.6314","0.0013","9.7352","0.0019","16.909","0.003","90","","96.93","0.03","90","","1083.6","0.4","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Piperazinium-di-chlorido-di-piperazinium-iron(II)-tri-chloride","","- C12 H22 Cl5 Fe N6 -","- C12 H22 Cl5 Fe N6 -","- C24 H44 Cl10 Fe2 N12 -","2","0.5","","Schönfeld, F; Wirthensohn, R.; Schmitt, H.-C.; Constantinidis, P.; Fischer, I.; Müller-Buschbaum, K","Tuning of the dimensional linkage from the complex to the framework by thermal conversion in the system Fe/Cl/piperazine.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15398","15406","10.1039/c4dt01987c","","","0.71073","MoKα","","0.0908","0.0637","","","0.12","0.1381","","","","","","1.159","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032088","26.4392","0.0007","9.4335","0.0003","30.546","0.0009","90","","113.57","0.003","90","","6983","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Fe S2 Si2 -","- C36 H42 Fe S2 Si2 -","- C288 H336 Fe8 S16 Si16 -","8","2","","Inkpen, Michael S.; White, Andrew J. P.; Albrecht, Tim; Long, Nicholas J.","Avoiding problem reactions at the ferrocenyl-alkyne motif: a convenient synthesis of model, redox-active complexes for molecular electronics.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15287","15290","10.1039/c4dt02359e","","","0.71073","MoKα","","0.0711","0.044","","","0.0956","0.1076","","","","","","1.021","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032089","12.9185","0.0004","7.2101","0.0002","23.6891","0.0006","90","","102.369","0.002","90","","2155.27","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Cl4 Fe N4 -","- C16 H23 Cl4 Fe N4 -","- C64 H92 Cl16 Fe4 N16 -","4","1","","Balamurugan, Mani; Vadivelu, Prabha; Palaniandavar, Mallayan","Iron(iii) complexes of tripodal tetradentate 4N ligands as functional models for catechol dioxygenases: the electronic vs. steric effect on extradiol cleavage.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14653","14668","10.1039/c3dt52145a","","","0.71073","MoKα","","0.0639","0.0457","","","0.1099","0.1198","","","","","","1.04","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032090","21.4227","0.0011","8.824","0.0004","23.7341","0.0006","90","","111.38","0.004","90","","4177.8","0.3","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 Ag I N8 -","- C42 H52 Ag I N8 -","- C168 H208 Ag4 I4 N32 -","4","0.5","","Turek, Jan; Panov, Illia; Svec, Petr; Růžičková, Zdeňka; Růžička, Aleš","Non-covalent interactions in coinage metal complexes of 1,2,4-triazole-based N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15465","15474","10.1039/c4dt01994f","","","0.71073","MoKα","","0.0543","0.0401","","","0.0796","0.0872","","","","","","1.104","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032091","14.568","0.0004","11.8901","0.001","17.57","0.001","90","","118.093","0.004","90","","2684.8","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Au Cl N4 -","- C28 H34 Au Cl N4 -","- C112 H136 Au4 Cl4 N16 -","4","1","","Turek, Jan; Panov, Illia; Svec, Petr; Růžičková, Zdeňka; Růžička, Aleš","Non-covalent interactions in coinage metal complexes of 1,2,4-triazole-based N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15465","15474","10.1039/c4dt01994f","","","0.71073","MoKα","","0.0548","0.0414","","","0.1033","0.1165","","","","","","1.128","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032092","19.985","0.0005","8.533","0.0018","31.148","0.0012","90","","90","","90","","5311.7","1.1","150","2","150.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H32 Au Br N4 -","- C27 H32 Au Br N4 -","- C216 H256 Au8 Br8 N32 -","8","2","","Turek, Jan; Panov, Illia; Svec, Petr; Růžičková, Zdeňka; Růžička, Aleš","Non-covalent interactions in coinage metal complexes of 1,2,4-triazole-based N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15465","15474","10.1039/c4dt01994f","","","0.71073","MoKα","","0.0548","0.0471","","","0.1154","0.1212","","","","","","1.118","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032093","13.5419","0.001","14.571","0.0005","14.193","0.0008","90","","119.557","0.005","90","","2436.1","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Au I N4 -","- C24 H29 Au I N4 -","- C96 H116 Au4 I4 N16 -","4","1","","Turek, Jan; Panov, Illia; Svec, Petr; Růžičková, Zdeňka; Růžička, Aleš","Non-covalent interactions in coinage metal complexes of 1,2,4-triazole-based N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15465","15474","10.1039/c4dt01994f","","","0.71073","MoKα","","0.0556","0.0435","","","0.1038","0.1134","","","","","","1.08","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032094","8.945","0.0003","10.9861","0.0007","10.995","0.0006","62.599","0.004","72.338","0.003","80.124","0.003","913.4","0.09","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Ag Cl N3 -","- C19 H21 Ag Cl N3 -","- C38 H42 Ag2 Cl2 N6 -","2","1","","Turek, Jan; Panov, Illia; Svec, Petr; Růžičková, Zdeňka; Růžička, Aleš","Non-covalent interactions in coinage metal complexes of 1,2,4-triazole-based N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15465","15474","10.1039/c4dt01994f","","","0.71073","MoKα","","0.0342","0.032","","","0.0896","0.0919","","","","","","1.065","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032095","8.926","0.0003","11.0071","0.0006","11.018","0.0008","62.047","0.005","71.966","0.006","80.177","0.005","908.82","0.1","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Au Cl N3 -","- C19 H21 Au Cl N3 -","- C38 H42 Au2 Cl2 N6 -","2","1","","Turek, Jan; Panov, Illia; Svec, Petr; Růžičková, Zdeňka; Růžička, Aleš","Non-covalent interactions in coinage metal complexes of 1,2,4-triazole-based N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15465","15474","10.1039/c4dt01994f","","","0.71073","MoKα","","0.0256","0.0237","","","0.0597","0.0615","","","","","","1.125","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032096","9.245","0.0009","16.272","0.0014","17.917","0.0005","90","0.005","111.442","0.004","90","0.008","2508.8","0.3","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Br0.5 Cl0.5 Cu N3 O -","- C23 H29 Br0.5 Cl0.5 Cu N3 O -","- C92 H116 Br2 Cl2 Cu4 N12 O4 -","4","1","","Turek, Jan; Panov, Illia; Svec, Petr; Růžičková, Zdeňka; Růžička, Aleš","Non-covalent interactions in coinage metal complexes of 1,2,4-triazole-based N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15465","15474","10.1039/c4dt01994f","","","0.71073","MoKα","","0.0556","0.0421","","","0.096","0.1019","","","","","","1.089","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032097","29.242","0.0009","4.6414","0.0001","10.1031","0.0003","90","","94.122","0.002","90","","1367.68","0.07","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 I2 N2 O -","- C13 H10 I2 N2 O -","- C52 H40 I8 N8 O4 -","4","0.5","","Chutia, R.; Das, G.","Hydrogen and halogen bonding in a concerted act of anion recognition: F(-) induced atmospheric CO2 uptake by an iodophenyl functionalized simple urea receptor.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15628","15637","10.1039/c4dt00940a","","","0.71073","MoKα","","0.0315","0.0292","","","0.0996","0.1052","","","","","","0.909","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032098","23.9471","0.0007","8.3931","0.0002","17.0344","0.0005","90","","96.451","0.001","90","","3402.07","0.16","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H47 I2 N3 O4 -","- C30 H47 I2 N3 O4 -","- C120 H188 I8 N12 O16 -","4","1","","Chutia, R.; Das, G.","Hydrogen and halogen bonding in a concerted act of anion recognition: F(-) induced atmospheric CO2 uptake by an iodophenyl functionalized simple urea receptor.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15628","15637","10.1039/c4dt00940a","","","0.71073","MoKα","","0.0604","0.0421","","","0.1107","0.1203","","","","","","1.074","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032099","8.8809","0.0003","21.0697","0.0006","18.9452","0.0006","90","","97.815","0.002","90","","3512.06","0.19","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 I2 N3 O3 -","- C31 H49 I2 N3 O3 -","- C124 H196 I8 N12 O12 -","4","1","","Chutia, R.; Das, G.","Hydrogen and halogen bonding in a concerted act of anion recognition: F(-) induced atmospheric CO2 uptake by an iodophenyl functionalized simple urea receptor.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15628","15637","10.1039/c4dt00940a","","","0.71073","MoKα","","0.1155","0.0612","","","0.1786","0.208","","","","","","1.082","","","","has coordinates,has disorder","180026","2020-10-21","18:00:00",""
"7032100","28.0636","0.0016","4.6085","0.0003","10.0857","0.0006","90","","95.469","0.004","90","","1298.46","0.14","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 N2 O -","- C13 H10 Br2 N2 O -","- C52 H40 Br8 N8 O4 -","4","0.5","","Chutia, R.; Das, G.","Hydrogen and halogen bonding in a concerted act of anion recognition: F(-) induced atmospheric CO2 uptake by an iodophenyl functionalized simple urea receptor.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15628","15637","10.1039/c4dt00940a","","","0.71073","MoKα","","0.0697","0.0377","","","0.1119","0.1397","","","","","","0.92","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032101","9.5024","0.0005","18.9054","0.001","19.3877","0.0013","90","","99.771","0.005","90","","3432.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 Br2 N3 O3 -","- C31 H49 Br2 N3 O3 -","- C124 H196 Br8 N12 O12 -","4","1","","Chutia, R.; Das, G.","Hydrogen and halogen bonding in a concerted act of anion recognition: F(-) induced atmospheric CO2 uptake by an iodophenyl functionalized simple urea receptor.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15628","15637","10.1039/c4dt00940a","","","0.71073","MoKα","","0.1794","0.059","","","0.1226","0.1652","","","","","","1.003","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032102","44.5214","0.0009","27.5022","0.0003","46.4109","0.0009","90","","113.394","0.002","90","","52155.8","1.8","120","0.1","120","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C460.34 H391.51 F96 Fe8 N110.17 O94.5 S32 -","- C389.333 H278 F84 Fe8 N74.6667 O80 S28 -","- C1557.33 H1112 F336 Fe32 N298.667 O320 S112 -","4","1","","Ferguson, Alan; Staniland, Robert W.; Fitchett, Christopher M.; Squire, Marie A.; Williamson, Bryce E.; Kruger, Paul E.","Variation of guest selectivity within [Fe4L4](8+) tetrahedral cages through subtle modification of the face-capping ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14550","14553","10.1039/c4dt02337d","","","1.5418","CuKα","","0.1963","0.1293","","","0.3343","0.3736","","","","","","1.044","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032103","21.8","0.004","22.237","0.004","22.317","0.005","103.56","0.03","95.35","0.03","115.89","0.03","9222","5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C181 H147.5 B8 F32 Fe4 N48.5 O13 -","- C176 H138 B8 F32 Fe4 N46 O13 -","- C352 H276 B16 F64 Fe8 N92 O26 -","2","1","","Ferguson, Alan; Staniland, Robert W.; Fitchett, Christopher M.; Squire, Marie A.; Williamson, Bryce E.; Kruger, Paul E.","Variation of guest selectivity within [Fe4L4](8+) tetrahedral cages through subtle modification of the face-capping ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14550","14553","10.1039/c4dt02337d","","","0.71073","synchrotron","","0.1579","0.1325","","","0.3831","0.402","","","","","","1.619","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032104","36.1264","0.0006","39.5634","0.0006","29.0472","0.0004","90","","99.5873","0.0015","90","","40936.8","1.1","120.01","0.1","120.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C175.25 H132.625 F24 Fe4 N41.625 O39.875 S8 -","- C170 H118.5 F21 Fe4 N39.5 O35.75 S7 -","- C1360 H948 F168 Fe32 N316 O286 S56 -","8","1","","Ferguson, Alan; Staniland, Robert W.; Fitchett, Christopher M.; Squire, Marie A.; Williamson, Bryce E.; Kruger, Paul E.","Variation of guest selectivity within [Fe4L4](8+) tetrahedral cages through subtle modification of the face-capping ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14550","14553","10.1039/c4dt02337d","","","1.5418","CuKα","","0.2118","0.1469","","","0.3851","0.4205","","","","","","1.31","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032105","18.905","0.004","11.646","0.002","15.432","0.003","90","","110.81","0.03","90","","3176","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(TPTA)0.5(4,4'-bpy)0.5(H2O)2]n","","","- C16 H13 Co N O6 -","- C16 H9 Co N O6 -","- C128 H72 Co8 N8 O48 -","8","1","","Lv, Xiaofeng; Liu, Lu; Huang, Chao; Guo, Li'an; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Metal-organic frameworks based on the [1,1':3',1''-terphenyl]-3,3'',5,5''-tetracarboxylic acid ligand: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15475","15481","10.1039/c4dt02342k","","","0.71073","MoKα","","0.0764","0.0657","","","0.1363","0.1441","","","","","","0.996","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032106","18.937","0.004","11.546","0.002","15.385","0.003","90","","111.08","0.03","90","","3138.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Ni(TPTA)0.5(4,4'-bpy)0.5(H2O)2]n","","","- C16 H13 N Ni O6 -","- C16 H9 N Ni O6 -","- C128 H72 N8 Ni8 O48 -","8","1","","Lv, Xiaofeng; Liu, Lu; Huang, Chao; Guo, Li'an; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Metal-organic frameworks based on the [1,1':3',1''-terphenyl]-3,3'',5,5''-tetracarboxylic acid ligand: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15475","15481","10.1039/c4dt02342k","","","0.71073","MoKα","","0.0528","0.0468","","","0.1152","0.1205","","","","","","1.004","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032107","9.7207","0.0019","10.111","0.002","15.286","0.003","92.87","0.03","98.72","0.03","96.33","0.03","1472.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","{[Mn2(TPTA)(2,2'-bpy)(H2O)]1.5H2O}n","","","- C32 H23 Mn2 N2 O10.5 -","- C32 H18 Mn2 N2 O9 -","- C64 H36 Mn4 N4 O18 -","2","1","","Lv, Xiaofeng; Liu, Lu; Huang, Chao; Guo, Li'an; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Metal-organic frameworks based on the [1,1':3',1''-terphenyl]-3,3'',5,5''-tetracarboxylic acid ligand: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15475","15481","10.1039/c4dt02342k","","","0.71073","MoKα","","0.0722","0.0524","","","0.1179","0.1299","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032108","28.507","0.006","10.687","0.002","18.199","0.004","90","","97.48","0.03","90","","5497","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn(H2TPTA)(phen)]n","","","- C34 H20 Mn N2 O8 -","- C34 H20 Mn N2 O8 -","- C272 H160 Mn8 N16 O64 -","8","1","","Lv, Xiaofeng; Liu, Lu; Huang, Chao; Guo, Li'an; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Metal-organic frameworks based on the [1,1':3',1''-terphenyl]-3,3'',5,5''-tetracarboxylic acid ligand: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15475","15481","10.1039/c4dt02342k","","","0.71073","MoKα","","0.0625","0.0538","","","0.1061","0.1118","","","","","","1.04","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032109","28.427","0.006","10.685","0.002","17.978","0.004","90","","97.49","0.03","90","","5414","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(H2TPTA)(phen)]n","","","- C34 H20 Co N2 O8 -","- C34 H20 Co N2 O8 -","- C272 H160 Co8 N16 O64 -","8","1","","Lv, Xiaofeng; Liu, Lu; Huang, Chao; Guo, Li'an; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Metal-organic frameworks based on the [1,1':3',1''-terphenyl]-3,3'',5,5''-tetracarboxylic acid ligand: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15475","15481","10.1039/c4dt02342k","","","0.71073","MoKα","","0.0418","0.0384","","","0.0884","0.0909","","","","","","1.033","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032110","18.0999","0.0012","15.4996","0.0008","16.3675","0.0011","90","","103.642","0.002","90","","4462.2","0.5","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","wb17mar15","","","- C17 H38 Co P3 S -","- C17 H38 Co P3 S -","- C136 H304 Co8 P24 S8 -","8","2","","Xu, Hongwei; Williard, Paul G.; Bernskoetter, Wesley H.","C-H bond activation and S-atom transfer from cobalt(iii) thiolate and isothiocyanate complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14696","14700","10.1039/c4dt01823k","","","0.71073","","","0.0294","0.0234","","","0.055","0.058","","","","","","1.068","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032111","8.8277","0.0003","13.5957","0.0005","15.9916","0.0006","90","","91.602","0.0012","90","","1918.54","0.12","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","wb20mad14","","","- C12 H33 Co N P3 S -","- C12 H33 Co N P3 S -","- C48 H132 Co4 N4 P12 S4 -","4","1","","Xu, Hongwei; Williard, Paul G.; Bernskoetter, Wesley H.","C-H bond activation and S-atom transfer from cobalt(iii) thiolate and isothiocyanate complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14696","14700","10.1039/c4dt01823k","","","0.71073","","","0.0233","0.0209","","","0.057","0.059","","","","","","1.013","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032112","8.2115","0.0012","8.6027","0.0012","11.4434","0.0016","103.448","0.005","102.311","0.005","105.632","0.004","723.54","0.18","183","2","183","2","","","","","","","","6","P -1","-P 1","2","wb19mar14","","","- C18 H48 Co2 N2 P4 S2 -","- C18 H48 Co2 N2 P4 S2 -","- C18 H48 Co2 N2 P4 S2 -","1","0.5","","Xu, Hongwei; Williard, Paul G.; Bernskoetter, Wesley H.","C-H bond activation and S-atom transfer from cobalt(iii) thiolate and isothiocyanate complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14696","14700","10.1039/c4dt01823k","","","0.71073","","","0.0439","0.0336","","","0.0796","0.0849","","","","","","1.054","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032113","28.3335","0.0002","28.3335","0.0002","28.3335","0.0002","90","","90","","90","","22745.8","0.3","174","2","174","2","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","","","","- C78 H92 O19 Sr -","- C78 H90 O18 Sr -","- C624 H720 O144 Sr8 -","8","0.166667","","Adhikari, Birendra Babu; Zhao, Xiang; Derakhshan, Shahab; Schramm, Michael P.","p-tert-Butylcalix[6]arene hexacarboxylic acid as host for Pb(ii), Sr(ii) and Ba(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15560","15565","10.1039/c4dt02182g","","","0.71073","MoKα","","0.0714","0.0517","","","0.1309","0.142","","","","","","1.127","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032114","13.526","0.005","11.743","0.005","13.885","0.005","90","0.005","107.129","0.005","90","0.005","2107.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu Mo4 N4 O14 -","- C12 H10 Cu Mo4 N4 O14 -","- C48 H40 Cu4 Mo16 N16 O56 -","4","1","","Sun, Wenlong; Zhang, Chunjing; Ma, Huiyuan; Pang, Haijun; Li, Shaobin","The coexistence of interconnected and interweaved double helices in an octamolybdate-based compound: synthesis, structure, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16322","16327","10.1039/c4dt02106a","","","0.71069","MoKα","","0.0203","0.017","","","0.0414","0.0426","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032115","14.972","0.001","14.162","0.0012","18.7531","0.001","90","","99.05","0.005","90","","3926.8","0.5","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Al B Cl6 N3 P -","- C31 H48 Al B Cl6 N3 P -","- C124 H192 Al4 B4 Cl24 N12 P4 -","4","1","","Tay, Madelyn Qin Yi; Murugesapandian, Balasubramanian; Lu, Yunpeng; Ganguly, Rakesh; Rei, Kinjo; Vidović, Dragoslav","Dihaloborenium cations stabilized by a four-membered N-heterocyclic carbene: electron deficiency compensation by asymmetric structural changes.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15313","15316","10.1039/c4dt01210k","","","0.71073","MoKα","","0.0703","0.043","","","0.1094","0.1364","","","","","","1.05","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032116","10.314","0.004","18.597","0.01","19.16","0.011","90","","99.535","0.019","90","","3624","3","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34.36 H54.29 B Cl3 N3 P -","- C34.356 H54.288 B Cl3 N3 P -","- C137.424 H217.152 B4 Cl12 N12 P4 -","4","1","","Tay, Madelyn Qin Yi; Murugesapandian, Balasubramanian; Lu, Yunpeng; Ganguly, Rakesh; Rei, Kinjo; Vidović, Dragoslav","Dihaloborenium cations stabilized by a four-membered N-heterocyclic carbene: electron deficiency compensation by asymmetric structural changes.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15313","15316","10.1039/c4dt01210k","","","0.71073","MoKα","","0.144","0.0797","","","0.1909","0.237","","","","","","1.089","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032117","14.8229","0.001","14.8271","0.001","19.1205","0.0013","90","","103.137","0.002","90","","4092.3","0.5","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Al B Br6 N3 P -","- C31 H48 Al B Br6 N3 P -","- C124 H192 Al4 B4 Br24 N12 P4 -","4","1","","Tay, Madelyn Qin Yi; Murugesapandian, Balasubramanian; Lu, Yunpeng; Ganguly, Rakesh; Rei, Kinjo; Vidović, Dragoslav","Dihaloborenium cations stabilized by a four-membered N-heterocyclic carbene: electron deficiency compensation by asymmetric structural changes.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15313","15316","10.1039/c4dt01210k","","","0.71073","MoKα","","0.1727","0.0609","","","0.126","0.1848","","","","","","0.986","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032118","8.8665","0.0014","30.022","0.005","9.8878","0.0016","90","","96.811","0.002","90","","2613.5","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Au Cl O P2 -","- C30 H24 Au Cl O P2 -","- C120 H96 Au4 Cl4 O4 P8 -","4","1","","Hahn, Christine; Cruz, Leticia; Villalobos, Amanda; Garza, Liliana; Adeosun, Samuel","Synthesis, structure and catalytic activity of a gold(i) complex containing 1,2-bis(diphenylphosphino)benzene monoxide.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16300","16309","10.1039/c4dt02116a","","","0.71073","MoKα","","0.0691","0.0348","","","0.0677","0.0808","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032119","20.472","0.004","14.638","0.003","21.347","0.004","90","","115.09","0.03","90","","5793","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H43 Cl2 N2 -","- C31 H43 Cl2 N2 -","- C248 H344 Cl16 N16 -","8","1","","Sidiropoulos, Anastas; Osborne, Brooke; Simonov, Alexandr N.; Dange, Deepak; Bond, Alan M.; Stasch, Andreas; Jones, Cameron","Expanded ring N-heterocyclic carbene adducts of group 15 element trichlorides: synthesis and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14858","14864","10.1039/c4dt02074j","","","0.7108","Synchrotron","","0.0978","0.091","","","0.2475","0.2531","","","","","","1.044","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032120","9.9126","0.0003","14.6493","0.0004","22.7915","0.0006","90","","90","","90","","3309.61","0.16","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Cl2 Ge N2 -","- C35 H48 Cl2 Ge N2 -","- C140 H192 Cl8 Ge4 N8 -","4","1","","Sidiropoulos, Anastas; Osborne, Brooke; Simonov, Alexandr N.; Dange, Deepak; Bond, Alan M.; Stasch, Andreas; Jones, Cameron","Expanded ring N-heterocyclic carbene adducts of group 15 element trichlorides: synthesis and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14858","14864","10.1039/c4dt02074j","","","0.71073","MoKα","","0.0267","0.0234","","","0.0531","0.0546","","","","","","1.042","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032121","8.1527","0.0016","10.83","0.002","31.317","0.006","90","","95.02","0.03","90","","2754.5","0.9","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl3 N2 P -","- C28 H40 Cl3 N2 P -","- C112 H160 Cl12 N8 P4 -","4","1","","Sidiropoulos, Anastas; Osborne, Brooke; Simonov, Alexandr N.; Dange, Deepak; Bond, Alan M.; Stasch, Andreas; Jones, Cameron","Expanded ring N-heterocyclic carbene adducts of group 15 element trichlorides: synthesis and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14858","14864","10.1039/c4dt02074j","","","0.71073","MoKα","","0.0404","0.0349","","","0.088","0.0913","","","","","","1.067","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032122","8.7102","0.0005","15.367","0.0005","11.5589","0.0007","90","","109.3","0.007","90","","1460.21","0.14","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H40 Cl3 N2 Sb -","- C28 H40 Cl3 N2 Sb -","- C56 H80 Cl6 N4 Sb2 -","2","1","","Sidiropoulos, Anastas; Osborne, Brooke; Simonov, Alexandr N.; Dange, Deepak; Bond, Alan M.; Stasch, Andreas; Jones, Cameron","Expanded ring N-heterocyclic carbene adducts of group 15 element trichlorides: synthesis and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14858","14864","10.1039/c4dt02074j","","","0.71073","MoKα","","0.0258","0.023","","","0.0488","0.0501","","","","","","1.016","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032123","18.416","0.004","17.227","0.003","19.145","0.004","90","","92.03","0.03","90","","6070","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H86 Cl2 N4 P4 -","- C62 H86 Cl2 N4 P4 -","- C248 H344 Cl8 N16 P16 -","4","1","","Sidiropoulos, Anastas; Osborne, Brooke; Simonov, Alexandr N.; Dange, Deepak; Bond, Alan M.; Stasch, Andreas; Jones, Cameron","Expanded ring N-heterocyclic carbene adducts of group 15 element trichlorides: synthesis and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14858","14864","10.1039/c4dt02074j","","","0.7109","Synchrotron","","0.1122","0.065","","","0.1644","0.1899","","","","","","1.011","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032124","11.656","0.002","14.612","0.003","23.686","0.005","90","","90","","90","","4034.1","1.4","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C50 H64 N4 -","- C50 H64 N4 -","- C200 H256 N16 -","4","0.5","","Sidiropoulos, Anastas; Osborne, Brooke; Simonov, Alexandr N.; Dange, Deepak; Bond, Alan M.; Stasch, Andreas; Jones, Cameron","Expanded ring N-heterocyclic carbene adducts of group 15 element trichlorides: synthesis and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14858","14864","10.1039/c4dt02074j","","","0.7109","Synchrotron","","0.0375","0.035","","","0.0851","0.0866","","","","","","1.057","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032125","9.2","0.0002","9.2","0.0002","13.6033","0.0003","90","","90","","120","","997.13","0.04","150","2","150","2","","","","","","","","6","P 6/m","-P 6","175","Cu-kagome-H2O","","","- C38 H24 Cl2 Cu3 N6 O15 -","- C38 H24 Cl1.92 Cu3 N6 O14.64 -","- C38 H24 Cl1.92 Cu3 N6 O14.64 -","1","0.0833333","","Keene, Tony D.; Murphy, Michael J.; Price, Jason R.; Sciortino, Natasha F.; Southon, Peter D.; Kepert, Cameron J.","Multifunctional MOFs through CO2 fixation: a metamagnetic kagome lattice with uniaxial zero thermal expansion and reversible guest sorption.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14766","14771","10.1039/c4dt02205j","","","0.71073","MoKα","","0.0372","0.0364","","","0.109","0.1096","","","","","","1.259","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032126","9.2577","0.0003","9.2577","0.0003","13.5853","0.0005","90","","90","","120","","1008.34","0.06","350","2","350","2","","","","","","","","6","P 6/m","-P 6","175","Cu-kagome-DS","","","- C38 H24 Cl2 Cu3 N6 O14 -","- C38 H24 Cl1.92 Cu3 N6 O13.68 -","- C38 H24 Cl1.92 Cu3 N6 O13.68 -","1","0.0833333","","Keene, Tony D.; Murphy, Michael J.; Price, Jason R.; Sciortino, Natasha F.; Southon, Peter D.; Kepert, Cameron J.","Multifunctional MOFs through CO2 fixation: a metamagnetic kagome lattice with uniaxial zero thermal expansion and reversible guest sorption.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14766","14771","10.1039/c4dt02205j","","","0.71073","MoKα","","0.0453","0.0347","","","0.0988","0.1071","","","","","","1.053","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032127","13.9353","0.0014","8.9922","0.0009","20.379","0.002","90","","90","","90","","2553.7","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H6 Co N10 -","- C12 H6 Co N10 -","- C96 H48 Co8 N80 -","8","1","","Tsai, Jia-Dong; Yang, Chen-I","Utilization of a ligand containing 2,2'-bipyridyl and tetrazolate groups to construct a 2D Co(ii) coordination polymer: spin canting and metamagnetism.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15576","15582","10.1039/c4dt01793e","","","0.71073","MoKα","","0.072","0.0457","","","0.1178","0.1303","","","","","","1.076","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032128","14.6053","0.0006","5.98157","0.00017","15.2271","0.0006","90","","118.214","0.005","90","","1172.23","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H12 Cl2 N4 Zn -","- C6 H12 Cl2 N4 Zn -","- C24 H48 Cl8 N16 Zn4 -","4","1","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","1.5418","CuKα","","0.0278","0.0256","","","0.0668","0.0682","","","","","","1.098","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032129","14.8739","0.001","6.1147","0.0003","15.5444","0.0009","90","","117.993","0.008","90","","1248.35","0.16","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H12 Br2 N4 Zn -","- C6 H12 Br2 N4 Zn -","- C24 H48 Br8 N16 Zn4 -","4","1","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","0.7107","MoKα","","0.057","0.049","","","0.1055","0.1081","","","","","","1.331","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032130","13.892","0.0003","13.325","0.0004","7.5335","0.0002","90","","90","","90","","1394.53","0.06","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H12 I2 N4 Zn -","- C6 H12 I2 N4 Zn -","- C24 H48 I8 N16 Zn4 -","4","0.5","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","0.71073","MoKα","","0.0168","0.0143","","","0.0309","0.0317","","","","","","1.112","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032131","9.6653","0.0009","18.1538","0.0016","14.5506","0.0013","90","","92.564","0.008","90","","2550.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br2 N4 Zn -","- C26 H20 Br2 N4 Zn -","- C104 H80 Br8 N16 Zn4 -","4","1","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","0.71073","MoKα","","0.0528","0.0333","","","0.0551","0.0605","","","","","","0.98","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032132","9.93005","0.0002","18.0924","0.0004","14.7012","0.0003","90","","93.9238","0.0018","90","","2635","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 I2 N4 Zn -","- C26 H20 I2 N4 Zn -","- C104 H80 I8 N16 Zn4 -","4","1","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","0.7107","MoKα","","0.0366","0.0281","","","0.0504","0.0535","","","","","","1.062","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032133","9.9007","0.0003","25.2926","0.0008","10.9442","0.0003","90","","96.116","0.003","90","","2724.99","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Cl6 N8 O2 Zn3 -","- C52 H44 Cl6 N8 O2 Zn3 -","- C104 H88 Cl12 N16 O4 Zn6 -","2","0.5","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","0.71073","MoKα","","0.0443","0.0323","","","0.0655","0.0706","","","","","","1.073","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032134","9.9094","0.0004","25.7218","0.0012","14.0861","0.0007","90","","128.053","0.003","90","","2827.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 Br6 N8 O2 Zn3 -","- C52 H44 Br6 N8 O2 Zn3 -","- C104 H88 Br12 N16 O4 Zn6 -","2","0.5","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","0.71073","MoKα","","0.0724","0.0544","","","0.1034","0.112","","","","","","1.128","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032135","14.7059","0.0007","9.2052","0.0004","18.8942","0.0009","90","","103.429","0.005","90","","2487.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 F6 N6 O8 S2 Zn -","- C11 H22 F6 N6 O8 S2 Zn -","- C44 H88 F24 N24 O32 S8 Zn4 -","4","1","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","1.5418","CuKα","","0.0634","0.0426","","","0.1044","0.1209","","","","","","1.048","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032136","9.3213","0.0006","9.5366","0.0007","11.0391","0.001","98.656","0.007","113.153","0.007","92.342","0.006","886.57","0.13","99.99","0.16","99.99","0.16","","","","","","","","7","P -1","-P 1","2","","","","- C8 H12 F6 N4 O6 S2 Zn -","- C8 H12 F6 N4 O6 S2 Zn -","- C16 H24 F12 N8 O12 S4 Zn2 -","2","1","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","0.71073","MoKα","","0.0547","0.0381","","","0.0825","0.0907","","","","","","1.072","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032137","7.5157","0.0002","17.6633","0.0006","23.4601","0.0009","90","","90","","90","","3114.38","0.18","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C20 H34 F6 N6 O8 S2 Zn -","- C19.5 H34 F6 N6 O8 S2 Zn -","- C78 H136 F24 N24 O32 S8 Zn4 -","4","0.5","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","1.5418","CuKα","","0.0551","0.0428","","","0.1067","0.1196","","","","","","1.051","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032138","13.2455","0.0007","10.3779","0.0009","18.5884","0.0011","90","","90","","90","","2555.2","0.3","100","2","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cl2 N4 O2 Zn -","- C6 H16 Cl2 N4 O2 Zn -","- C48 H128 Cl16 N32 O16 Zn8 -","8","1","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","1.5418","CuKα","","0.0527","0.0391","","","0.0967","0.1095","","","","","","1.058","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032139","7.527","0.0005","12.6536","0.0009","14.1711","0.0008","90","","89.364","0.006","90","","1349.62","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Br2 N4 O2 Zn -","- C6 H16 Br2 N4 O2 Zn -","- C24 H64 Br8 N16 O8 Zn4 -","4","1","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","1.5418","CuKα","","0.043","0.0327","","","0.0762","0.0815","","","","","","1.052","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032140","9.6999","0.0011","9.9427","0.0011","10.1598","0.0007","88.738","0.007","88.449","0.007","61.132","0.011","857.72","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl2 N4 O2 Zn -","- C12 H24 Cl2 N4 O2 Zn -","- C24 H48 Cl4 N8 O4 Zn2 -","2","1","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","1.5418","CuKα","","0.0813","0.0592","","","0.1402","0.1601","","","","","","1.053","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032141","10.6266","0.0002","17.3401","0.0005","9.7944","0.0002","90","","93.34","0.002","90","","1801.71","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Br2 N4 O2 Zn -","- C12 H24 Br2 N4 O2 Zn -","- C48 H96 Br8 N16 O8 Zn4 -","4","1","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","0.71073","MoKα","","0.0456","0.032","","","0.0561","0.0609","","","","","","1.048","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032142","25.228","0.009","20.296","0.006","14.423","0.005","90","","103.207","0.013","90","","7190","4","200","","200","","","","","","","","","5","C 1 2 1","C 2y","5","","[{(t-BuC6H4)3CCONH}2C6H2S]2S-3.1(MeOH)-H2O","","- C73.1 H96.4 N2 O6.1 S3 -","- C73.1 H91.3 N2 O6.1 S3 -","- C292.4 H365.2 N8 O24.4 S12 -","4","1","","Hasenaka, Yuki; Okamura, Taka-Aki; Tatsumi, Miki; Inazumi, Naoya; Onitsuka, Kiyotaka","Behavior of anionic molybdenum(iv, vi) and tungsten(iv, vi) complexes containing bulky hydrophobic dithiolate ligands and intramolecular NHS hydrogen bonds in nonpolar solvents.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15491","15502","10.1039/c4dt01646g","","","0.71075","MoKα","","0.2918","0.1461","","","0.3355","0.4201","","","","","","1.047","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032143","16.14","0.004","18.083","0.004","18.963","0.004","116.758","0.006","91.907","0.008","99.703","0.008","4833.6","1.9","200","","200","","","","","","","","","6","P 1","P 1","1","","(NEt4)2[MoO{S2C6H2{NHCOC(C6H4-t-Bu)3}2}2]-8(toluene)","","- C212 H268 Mo N6 O5 S4 -","- C212 H268 Mo N6 O5 S4 -","- C212 H268 Mo N6 O5 S4 -","1","1","","Hasenaka, Yuki; Okamura, Taka-Aki; Tatsumi, Miki; Inazumi, Naoya; Onitsuka, Kiyotaka","Behavior of anionic molybdenum(iv, vi) and tungsten(iv, vi) complexes containing bulky hydrophobic dithiolate ligands and intramolecular NHS hydrogen bonds in nonpolar solvents.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15491","15502","10.1039/c4dt01646g","","","0.71075","MoKα","","0.1227","0.0931","","","0.2515","0.2819","","","","","","1.032","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032144","14.4864","0.0014","25.173","0.003","21.753","0.002","90","","90","","90","","7932.6","1.4","200","","200","","","","","","","","","6","P n n 2","P 2 -2n","34","","(NEt4)2[MoO2{S2C6H2[NHCOC(C6H4)-t-Bu)3]2}2]-5(CH3CN)","","- C166 H219 Mo N11 O6 S4 -","- C166 H219 Mo N11 O6 S4 -","- C332 H438 Mo2 N22 O12 S8 -","2","0.5","","Hasenaka, Yuki; Okamura, Taka-Aki; Tatsumi, Miki; Inazumi, Naoya; Onitsuka, Kiyotaka","Behavior of anionic molybdenum(iv, vi) and tungsten(iv, vi) complexes containing bulky hydrophobic dithiolate ligands and intramolecular NHS hydrogen bonds in nonpolar solvents.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15491","15502","10.1039/c4dt01646g","","","0.71075","MoKα","","0.3065","0.2043","","","0.4703","0.5205","","","","","","1.463","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032145","39.1189","0.0016","23.7467","0.0011","20.0641","0.0014","90","","107.993","0.008","90","","17726.9","1.8","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(NEt4)2[MoO{S2C6H2[NHCOC(C6H4-t-Bu)3]2}2]-toluene-5(CH3CN)","","- C173 H227 Mo N11 O5 S4 -","- C171.163 H222.408 Mo N10.7704 O5 S4 -","- C684.653 H889.632 Mo4 N43.0816 O20 S16 -","4","0.5","","Hasenaka, Yuki; Okamura, Taka-Aki; Tatsumi, Miki; Inazumi, Naoya; Onitsuka, Kiyotaka","Behavior of anionic molybdenum(iv, vi) and tungsten(iv, vi) complexes containing bulky hydrophobic dithiolate ligands and intramolecular NHS hydrogen bonds in nonpolar solvents.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15491","15502","10.1039/c4dt01646g","","","0.71075","MoKα","","0.1646","0.1148","","","0.3344","0.3668","","","","","","1.274","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032146","39.235","0.005","23.938","0.003","20.131","0.003","90","","108.061","0.005","90","","17976","4","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(NEt4)2[WO{S2C6H2[NHCOC(C6H4-t-Bu)3]2}2]-4(toluene)-3(CH3CN)-H2O","","- C190 H247 N9 O6 S4 W -","- C190 H245 N9 O5.9801 S4 W -","- C760 H980 N36 O23.9204 S16 W4 -","4","0.5","","Hasenaka, Yuki; Okamura, Taka-Aki; Tatsumi, Miki; Inazumi, Naoya; Onitsuka, Kiyotaka","Behavior of anionic molybdenum(iv, vi) and tungsten(iv, vi) complexes containing bulky hydrophobic dithiolate ligands and intramolecular NHS hydrogen bonds in nonpolar solvents.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15491","15502","10.1039/c4dt01646g","","","0.71075","MoKα","","0.1484","0.1265","","","0.3199","0.3323","","","","","","1.109","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032147","14.503","0.002","25.17","0.005","21.806","0.004","90","","90","","90","","7960","2","200","","200","","","","","","","","","6","P n n 2","P 2 -2n","34","","(NEt4)2[WO2{S2C6H2[NHCOC(C6H4-t-Bu)3]2}2]-5(CH3CN)","","- C166 H219 N11 O6 S4 W -","- C166 H219 N11 O6 S4 W -","- C332 H438 N22 O12 S8 W2 -","2","0.5","","Hasenaka, Yuki; Okamura, Taka-Aki; Tatsumi, Miki; Inazumi, Naoya; Onitsuka, Kiyotaka","Behavior of anionic molybdenum(iv, vi) and tungsten(iv, vi) complexes containing bulky hydrophobic dithiolate ligands and intramolecular NHS hydrogen bonds in nonpolar solvents.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15491","15502","10.1039/c4dt01646g","","","0.71075","MoKα","","0.1767","0.1164","","","0.3046","0.3496","","","","","","1.035","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032148","11.3679","0.0006","17.4007","0.001","11.4194","0.0006","90","","90.718","0.002","90","","2258.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H42 N P Si -","- C21 H42 N P Si -","- C84 H168 N4 P4 Si4 -","4","1","","Holthausen, Michael H.; Mallov, Ian; Stephan, Douglas W.","Phosphinimine-substituted boranes and borenium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15201","15211","10.1039/c4dt02406k","","","0.71073","MoKα","","0.0565","0.0381","","","0.0871","0.096","","","","","","1.009","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032149","8.7098","0.0007","11.0404","0.0011","11.3544","0.0011","62.456","0.005","88.191","0.006","87.019","0.006","966.74","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N P Si -","- C21 H24 N P Si -","- C42 H48 N2 P2 Si2 -","2","1","","Holthausen, Michael H.; Mallov, Ian; Stephan, Douglas W.","Phosphinimine-substituted boranes and borenium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15201","15211","10.1039/c4dt02406k","","","0.71073","MoKα","","0.0827","0.046","","","0.0938","0.1064","","","","","","1.027","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032150","8.7677","0.001","10.9331","0.0014","12.2994","0.0016","65.52","0.006","89.735","0.006","87.405","0.006","1071.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 B N P -","- C26 H29 B N P -","- C52 H58 B2 N2 P2 -","2","1","","Holthausen, Michael H.; Mallov, Ian; Stephan, Douglas W.","Phosphinimine-substituted boranes and borenium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15201","15211","10.1039/c4dt02406k","","","0.71073","MoKα","","0.0493","0.038","","","0.0882","0.0942","","","","","","1.027","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032151","12.0582","0.0006","12.737","0.0006","15.7609","0.0007","96.504","0.003","100.999","0.002","97.696","0.003","2330.67","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H37 B N P -","- C24 H37 B N P -","- C96 H148 B4 N4 P4 -","4","2","","Holthausen, Michael H.; Mallov, Ian; Stephan, Douglas W.","Phosphinimine-substituted boranes and borenium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15201","15211","10.1039/c4dt02406k","","","0.71073","MoKα","","0.1392","0.0629","","","0.1323","0.1617","","","","","","1.017","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7032152","16.3277","0.0004","11.4623","0.0003","16.3393","0.0004","90","","104.833","0.001","90","","2956.05","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 B N P -","- C36 H37 B N P -","- C144 H148 B4 N4 P4 -","4","1","","Holthausen, Michael H.; Mallov, Ian; Stephan, Douglas W.","Phosphinimine-substituted boranes and borenium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15201","15211","10.1039/c4dt02406k","","","0.71073","MoKα","","0.0506","0.0391","","","0.1001","0.1073","","","","","","1.044","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032153","9.9618","0.0007","12.7168","0.001","14.8199","0.0011","90","","101.454","0.002","90","","1840","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H33 Cl N P Si -","- C14 H33 Cl N P Si -","- C56 H132 Cl4 N4 P4 Si4 -","4","1","","Holthausen, Michael H.; Mallov, Ian; Stephan, Douglas W.","Phosphinimine-substituted boranes and borenium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15201","15211","10.1039/c4dt02406k","","","0.71073","MoKα","","0.0724","0.0438","","","0.1206","0.1413","","","","","","1.01","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032154","8.775","0.0009","22.773","0.002","19.917","0.002","90","","99.781","0.004","90","","3922.2","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H32 B Cl N P -","- C18 H32 B Cl N P -","- C144 H256 B8 Cl8 N8 P8 -","8","4","","Holthausen, Michael H.; Mallov, Ian; Stephan, Douglas W.","Phosphinimine-substituted boranes and borenium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15201","15211","10.1039/c4dt02406k","","","0.71073","MoKα","","0.1564","0.0722","","","0.118","0.1485","","","","","","0.983","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032155","10.1315","0.0004","10.0647","0.0004","13.7696","0.0005","90","","97.606","0.002","90","","1391.74","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 B2 Cl2 N2 P2 -","- C24 H40 B2 Cl2 N2 P2 -","- C48 H80 B4 Cl4 N4 P4 -","2","0.5","","Holthausen, Michael H.; Mallov, Ian; Stephan, Douglas W.","Phosphinimine-substituted boranes and borenium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15201","15211","10.1039/c4dt02406k","","","0.71073","MoKα","","0.0345","0.0289","","","0.0762","0.0803","","","","","","1.039","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032156","11.9742","0.0005","13.0899","0.0005","18.0121","0.0007","78.766","0.002","85.796","0.002","65.463","0.002","2518.98","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H46 B2 Cl8 N2 P2 -","- C51 H46 B2 Cl8 N2 P2 -","- C102 H92 B4 Cl16 N4 P4 -","2","1","","Holthausen, Michael H.; Mallov, Ian; Stephan, Douglas W.","Phosphinimine-substituted boranes and borenium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15201","15211","10.1039/c4dt02406k","","","0.71073","MoKα","","0.1171","0.0582","","","0.1142","0.134","","","","","","1.028","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032157","13.6726","0.0006","13.0411","0.0006","15.1399","0.0007","90","","98.961","0.002","90","","2666.6","0.2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B F3 N O3 P S -","- C28 H32 B F3 N O3 P S -","- C112 H128 B4 F12 N4 O12 P4 S4 -","4","1","","Holthausen, Michael H.; Mallov, Ian; Stephan, Douglas W.","Phosphinimine-substituted boranes and borenium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15201","15211","10.1039/c4dt02406k","","","0.71073","MoKα","","0.0702","0.0432","","","0.0975","0.1109","","","","","","1.03","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032158","9.6201","0.0005","10.6974","0.0006","13.7275","0.0008","70.229","0.003","79.114","0.002","73.445","0.002","1267.6","0.12","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H18 B F13 N O3 P S -","- C20 H18 B F13 N O3 P S -","- C40 H36 B2 F26 N2 O6 P2 S2 -","2","1","","Holthausen, Michael H.; Mallov, Ian; Stephan, Douglas W.","Phosphinimine-substituted boranes and borenium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15201","15211","10.1039/c4dt02406k","","","0.71073","MoKα","","0.0543","0.0387","","","0.0927","0.1005","","","","","","1.024","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032159","20.7145","0.0013","10.2318","0.0007","19.1894","0.0013","90","","110.369","0.002","90","","3812.8","0.4","149","2","149","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 B Cl2 F3 N O3 P S -","- C39 H42 B Cl2 F3 N O3 P S -","- C156 H168 B4 Cl8 F12 N4 O12 P4 S4 -","4","1","","Holthausen, Michael H.; Mallov, Ian; Stephan, Douglas W.","Phosphinimine-substituted boranes and borenium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15201","15211","10.1039/c4dt02406k","","","0.71073","MoKα","","0.0575","0.0454","","","0.113","0.1204","","","","","","1.021","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032160","18.237","0.0002","21.34","0.0003","19.545","0.0003","90","","90","","90","","7606.48","0.18","150","2","150","2","","","","","","","","6","C c m b","-C 2ac 2ac","64","","","","- C39 H27 F10 Mn O3 P4 -","- C39 H27 F10 Mn O3 P4 -","- C312 H216 F80 Mn8 O24 P32 -","8","","","Edwards, Peter G.; Mahon, Mary F.; Newman, Paul D.; Reixach, Elisenda; Zhang, Wenjian","Manganese(i) templates for the construction of benzannulated triphosphamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15646","15655","10.1039/c4dt02203c","","","0.71073","MoKα","","0.0541","0.0437","","","0.1049","0.1104","","","","","","1.027","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032161","9.024","0.0002","15.651","0.0003","15.919","0.0004","75.148","0.001","80.143","0.001","77.28","0.001","2104.11","0.08","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H31 F8 Mn N2 O3 P3 Sb -","- C43 H28 F8 Mn N2 O3 P3 Sb -","- C86 H56 F16 Mn2 N4 O6 P6 Sb2 -","2","1","","Edwards, Peter G.; Mahon, Mary F.; Newman, Paul D.; Reixach, Elisenda; Zhang, Wenjian","Manganese(i) templates for the construction of benzannulated triphosphamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15646","15655","10.1039/c4dt02203c","","","0.71073","MoKα","","0.0903","0.0608","","","0.1508","0.166","","","","","","1.074","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032162","10.828","0.0001","14.988","0.0001","19.014","0.0002","90","","100.439","0.001","90","","3034.71","0.05","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F6 Mn O6 P3 S -","- C28 H20 F6 Mn O6 P3 S -","- C112 H80 F24 Mn4 O24 P12 S4 -","4","1","","Edwards, Peter G.; Mahon, Mary F.; Newman, Paul D.; Reixach, Elisenda; Zhang, Wenjian","Manganese(i) templates for the construction of benzannulated triphosphamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15646","15655","10.1039/c4dt02203c","","","0.71073","MoKα","","0.0431","0.0335","","","0.0808","0.086","","","","","","1.047","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032163","9.022","0.0001","13.421","0.0001","13.626","0.0002","69.978","0.001","80.994","0.001","76.824","0.001","1503.8","0.03","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H19 F5 Mn O6 P3 S -","- C28 H19 F5 Mn O6 P3 S -","- C56 H38 F10 Mn2 O12 P6 S2 -","2","1","","Edwards, Peter G.; Mahon, Mary F.; Newman, Paul D.; Reixach, Elisenda; Zhang, Wenjian","Manganese(i) templates for the construction of benzannulated triphosphamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15646","15655","10.1039/c4dt02203c","","","0.71073","MoKα","","0.064","0.0461","","","0.1089","0.1196","","","","","","1.032","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032164","15.868","0.0001","21.716","0.0002","28.115","0.0003","90","","90","","90","","9688.13","0.15","150","2","150","2","","","","","","","","8","P b n b","-P 2bc 2ab","56","","","","- C33.2 H26.2 Cl12.6 F I Mn O3 P3 -","- C33.2 H26.2 Cl12.6 F I Mn O3 P3 -","- C265.6 H209.6 Cl100.8 F8 I8 Mn8 O24 P24 -","8","1","","Edwards, Peter G.; Mahon, Mary F.; Newman, Paul D.; Reixach, Elisenda; Zhang, Wenjian","Manganese(i) templates for the construction of benzannulated triphosphamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15646","15655","10.1039/c4dt02203c","","","0.71073","MoKα","","0.0855","0.0708","","","0.1794","0.1888","","","","","","1.116","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032165","10.252","0.0011","29.4123","0.0018","27.446","0.003","90","","99.38","0.0011","90","","8165.3","1.3","206","","206","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H92.5 Ag6 Cl6 N12 O0.75 -","- C57 H84 Ag6 Cl6 N12 O0.75 -","- C228 H336 Ag24 Cl24 N48 O3 -","4","1","","Morishima, Yui; Young, David James; Fujisawa, Kiyoshi","Structure and photoluminescence of silver(i) trinuclear halopyrazolato complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15915","15928","10.1039/c4dt01978d","","","0.7107","MoKα","","","0.0603","","","","0.1335","","","","","","1.854","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032166","11.5188","0.001","23.8743","0.0013","14.0966","0.0007","90","","90","","90","","3876.6","0.4","190","","190","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H42 Ag3 I3 N6 -","- C27 H42 Ag3 I3 N6 -","- C108 H168 Ag12 I12 N24 -","4","1","","Morishima, Yui; Young, David James; Fujisawa, Kiyoshi","Structure and photoluminescence of silver(i) trinuclear halopyrazolato complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15915","15928","10.1039/c4dt01978d","","","0.7107","MoKα","","","0.0306","","","","0.0755","","","","","","1.628","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032167","14.823","0.0019","12.7462","0.0011","20.735","0.003","90","","90.874","0.002","90","","3917.2","0.8","190","","190","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H98 Ag6 I6 N12 -","- C60 H98 Ag6 I6 N12 -","- C120 H196 Ag12 I12 N24 -","2","0.5","","Morishima, Yui; Young, David James; Fujisawa, Kiyoshi","Structure and photoluminescence of silver(i) trinuclear halopyrazolato complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15915","15928","10.1039/c4dt01978d","","","0.7107","MoKα","","","0.0517","","","","0.1282","","","","","","2.546","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032168","9.5441","0.0015","20.286","0.004","24.142","0.004","90","","90","","90","","4674.2","1.4","201","","201","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H34 Ag3 Cl7 N6 -","- C47 H34 Ag3 Cl7 N6 -","- C188 H136 Ag12 Cl28 N24 -","4","1","","Morishima, Yui; Young, David James; Fujisawa, Kiyoshi","Structure and photoluminescence of silver(i) trinuclear halopyrazolato complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15915","15928","10.1039/c4dt01978d","","","0.71075","MoKα","","","0.039","","","","0.053","","","","","","0.567","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032169","14.229","0.0002","14.443","0.0003","16.823","0.0004","72.145","0.001","73.336","0.001","72.418","0.001","3064.39","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H31 Cl2 F6 Mn N2 O3 P2 -","- C22 H31 Cl2 F6 Mn N2 O3 P2 -","- C88 H124 Cl8 F24 Mn4 N8 O12 P8 -","4","2","","Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Tallis, Huw A.; Williams, Craig","Aspects of the coordination chemistry of rac-trans-1,2-diphosphinocyclohexane and the preparation of reinforced 9aneP3 and 9anePN2 macrocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15532","15545","10.1039/c4dt02239d","","","0.71073","MoKα","","0.1156","0.0692","","","0.168","0.193","","","","","","1.03","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032170","35.176","0.005","10.9232","0.0015","20.217","0.002","90","","113.514","0.009","90","","7123","1.6","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C32 H34 F I Mn O4 P3 -","- C32 H34 F I Mn O4 P3 -","- C256 H272 F8 I8 Mn8 O32 P24 -","8","1","","Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Tallis, Huw A.; Williams, Craig","Aspects of the coordination chemistry of rac-trans-1,2-diphosphinocyclohexane and the preparation of reinforced 9aneP3 and 9anePN2 macrocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15532","15545","10.1039/c4dt02239d","","","0.71073","MoKα","","0.116","0.0821","","","0.1991","0.2248","","","","","","1.085","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032171","8.7911","0.0005","8.9433","0.0003","12.8881","0.0006","80.312","0.003","83.702","0.002","88.708","0.003","992.79","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H28 B Cu F4 P4 -","- C12 H28 B Cu F4 P4 -","- C24 H56 B2 Cu2 F8 P8 -","2","1","","Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Tallis, Huw A.; Williams, Craig","Aspects of the coordination chemistry of rac-trans-1,2-diphosphinocyclohexane and the preparation of reinforced 9aneP3 and 9anePN2 macrocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15532","15545","10.1039/c4dt02239d","","","0.71073","MoKα","","0.1054","0.065","","","0.1678","0.1971","","","","","","1.034","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032172","9.8754","0.0003","23.0437","0.0009","13.1527","0.0003","90","","99.03","0.002","90","","2956.01","0.16","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C33 H50 Ag3 F9 O9 P10 S3 -","- C33 H51 Ag3 F9 O9 P10 S3 -","- C66 H102 Ag6 F18 O18 P20 S6 -","2","0.5","","Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Tallis, Huw A.; Williams, Craig","Aspects of the coordination chemistry of rac-trans-1,2-diphosphinocyclohexane and the preparation of reinforced 9aneP3 and 9anePN2 macrocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15532","15545","10.1039/c4dt02239d","","","0.71073","MoKα","","0.1155","0.0749","","","0.1911","0.219","","","","","","1.031","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032173","13.021","0.0001","15.257","0.0002","30.559","0.0003","90","","90","","90","","6070.89","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H31 F9 Fe P4 -","- C29 H31 F9 Fe P4 -","- C232 H248 F72 Fe8 P32 -","8","1","","Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Tallis, Huw A.; Williams, Craig","Aspects of the coordination chemistry of rac-trans-1,2-diphosphinocyclohexane and the preparation of reinforced 9aneP3 and 9anePN2 macrocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15532","15545","10.1039/c4dt02239d","","","0.71073","MoKα","","0.0641","0.0516","","","0.1095","0.114","","","","","","1.166","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032174","9.2055","0.0003","11.5244","0.0004","16.9127","0.0005","100.554","0.002","93.752","0.002","100.521","0.0018","1725.13","0.1","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C32 H25 F6 Fe N7 O6 S2 -","- C32 H25 F6 Fe N7 O6 S2 -","- C64 H50 F12 Fe2 N14 O12 S4 -","2","1","","Giri, Chandan; Topić, Filip; Mal, Prasenjit; Rissanen, Kari","Anion-controlled formation of an aminal-(bis)imine Fe(ii)-complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15697","15699","10.1039/c4dt02180k","","","0.71073","MoKα","","0.0696","0.0505","","","0.1026","0.1146","","","","","","1.062","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032175","10.2438","0.0003","19.3127","0.0006","8.8565","0.0002","90","","101.637","0.003","90","","1716.11","0.08","123","0.1","123","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cl2 Fe N4 -","- C18 H14 Cl2 Fe N4 -","- C72 H56 Cl8 Fe4 N16 -","4","0.5","","Giri, Chandan; Topić, Filip; Mal, Prasenjit; Rissanen, Kari","Anion-controlled formation of an aminal-(bis)imine Fe(ii)-complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15697","15699","10.1039/c4dt02180k","","","1.54184","CuKα","","0.0362","0.0343","","","0.0897","0.0922","","","","","","1.063","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032176","7.598","0.0002","8.4802","0.0002","10.5727","0.0003","80.605","0.001","83.403","0.001","69.806","0.001","629.51","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 Cl4 Co2 N2 S4 -","- C18 H26 Cl4 Co2 N2 S4 -","- C18 H26 Cl4 Co2 N2 S4 -","1","0.5","","Soobramoney, Lynette; Bala, Muhammad D.; Friedrich, Holger B.","Coordination chemistry of Co complexes containing tridentate SNS ligands and their application as catalysts for the oxidation of n-octane.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15968","15978","10.1039/c4dt01750a","","","0.71073","MoKα","","0.0366","0.031","","","0.0773","0.0797","","","","","","1.123","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032177","24.9529","0.0009","7.9877","0.0003","16.5411","0.0006","90","","112.111","0.002","90","","3054.4","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C11 H17 Cl2 Co N S2 -","- C11 H17 Cl2 Co N S2 -","- C88 H136 Cl16 Co8 N8 S16 -","8","2","","Soobramoney, Lynette; Bala, Muhammad D.; Friedrich, Holger B.","Coordination chemistry of Co complexes containing tridentate SNS ligands and their application as catalysts for the oxidation of n-octane.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15968","15978","10.1039/c4dt01750a","","","0.71073","MoKα","","0.085","0.0552","","","0.1268","0.1756","","","","","","1.039","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032178","34.593","0.0009","7.6101","0.0002","15.5012","0.0004","90","","99.734","0.001","90","","4022.04","0.18","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H25 Cl2 Co N S2 -","- C15 H25 Cl2 Co N S2 -","- C120 H200 Cl16 Co8 N8 S16 -","8","1","","Soobramoney, Lynette; Bala, Muhammad D.; Friedrich, Holger B.","Coordination chemistry of Co complexes containing tridentate SNS ligands and their application as catalysts for the oxidation of n-octane.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15968","15978","10.1039/c4dt01750a","","","0.71073","MoKα","","0.0829","0.0679","","","0.2236","0.2428","","","","","","1.079","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032179","10.672","0.0005","8.4107","0.0004","23.5413","0.0011","90","","114.791","0.002","90","","1918.31","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl2 Co N S2 -","- C19 H17 Cl2 Co N S2 -","- C76 H68 Cl8 Co4 N4 S8 -","4","1","","Soobramoney, Lynette; Bala, Muhammad D.; Friedrich, Holger B.","Coordination chemistry of Co complexes containing tridentate SNS ligands and their application as catalysts for the oxidation of n-octane.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15968","15978","10.1039/c4dt01750a","","","0.71073","MoKα","","0.0719","0.0695","","","0.1865","0.1876","","","","","","1.164","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032180","10.607","0.002","15.644","0.003","17.786","0.004","90","","90","","90","","2951.3","1","298","","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H32 Cu N6 O8 S2 -","- C26 H32 Cu N6 O8 S2 -","- C104 H128 Cu4 N24 O32 S8 -","4","0.5","","Mansour, Ahmed M.","Crystal structure, DFT, spectroscopic and biological activity evaluation of analgin complexes with Co(ii), Ni(ii) and Cu(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15950","15957","10.1039/c4dt02366h","","","0.7107","MoKα","","0.0904","0.0458","","","0.1079","0.1279","","","","","","1.029","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032181","4.5619","0.0008","17.059","0.002","7.3056","0.0012","90","","90","","90","","568.53","0.15","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","EuIrIn4","","","- Eu In4 Ir -","- Eu In4 Ir -","- Eu4 In16 Ir4 -","4","0.25","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","The crystal structure and magnetic properties of a Zintl phase EuIrIn4: the first member of the Eu-Ir-In family.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15879","15886","10.1039/c4dt01620c","","","0.71073","MoKα","","0.0453","0.0453","","","0.1193","0.1194","","","","","","1.164","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032182","16.899","0.003","11.245","0.002","18.736","0.004","90","","115.504","0.003","90","","3213.4","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H56 Mn3 N8 O22 -","- C66 H56 Mn3 N8 O22 -","- C132 H112 Mn6 N16 O44 -","2","0.5","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Structural diversity and magnetic properties of six metal-organic polymers based on semirigid tricarboxylate ligand of 3,5-bi(4-carboxyphenoxy)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15979","15989","10.1039/c4dt01953a","","","0.71073","MoKα","","0.0575","0.0446","","","0.1197","0.1321","","","","","","0.999","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032183","14.5871","0.0009","16.6281","0.0011","17.3904","0.0011","63.171","0.001","65.879","0.001","86.131","0.001","3399.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C156 H114 N16 Ni5 O38 -","- C156 H114 N16 Ni5 O38 -","- C156 H114 N16 Ni5 O38 -","1","0.5","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Structural diversity and magnetic properties of six metal-organic polymers based on semirigid tricarboxylate ligand of 3,5-bi(4-carboxyphenoxy)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15979","15989","10.1039/c4dt01953a","","","0.71073","MoKα","","0.1062","0.0779","","","0.26","0.312","","","","","","1.001","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032184","9.021","0.005","13.841","0.008","30.183","0.018","90","","90","","90","","3769","4","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H15 Fe N2 O6 -","- C20 H15 Fe N2 O6 -","- C160 H120 Fe8 N16 O48 -","8","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Structural diversity and magnetic properties of six metal-organic polymers based on semirigid tricarboxylate ligand of 3,5-bi(4-carboxyphenoxy)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15979","15989","10.1039/c4dt01953a","","","0.71073","MoKα","","0.0529","0.0426","","","0.1377","0.1509","","","","","","0.998","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032185","13.819","0.004","13.641","0.004","27.456","0.007","90","","91.33","0.005","90","","5174","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H48 Ag6 Cl2 N24 O42 Si W12 -","- C72 H48 Ag6 Cl2 N24 O42 Si W12 -","- C144 H96 Ag12 Cl4 N48 O84 Si2 W24 -","2","0.5","","Zhang, Lei; Yang, Wenbin; Kuang, Xiaofei; Wu, Xiaoyuan; Lu, Canzhong","pH-dependent assembly of two polyoxometalate host-guest structural isomers based on Keggin polyoxoanion templates.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16328","16334","10.1039/c4dt02050b","","","0.71073","MoKα","","0.0667","0.059","","","0.1289","0.1336","","","","","","1.023","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032186","22.6655","0.0005","18.8656","0.0003","24.6036","0.0005","90","","107.228","0.002","90","","10048.4","0.4","100","0.15","100","0.15","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C72 H48 Ag6 Cl2 N24 O42 Si W12 -","- C72 H48 Ag6 Cl2 N24 O42 Si W12 -","- C288 H192 Ag24 Cl8 N96 O168 Si4 W48 -","4","0.5","","Zhang, Lei; Yang, Wenbin; Kuang, Xiaofei; Wu, Xiaoyuan; Lu, Canzhong","pH-dependent assembly of two polyoxometalate host-guest structural isomers based on Keggin polyoxoanion templates.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16328","16334","10.1039/c4dt02050b","","","0.71073","MoKα","","0.0492","0.0417","","","0.0992","0.1053","","","","","","1.096","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032187","18.8493","0.0011","10.4332","0.0004","22.2694","0.0012","90","","99.559","0.004","90","","4318.7","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H69 Al B Li N2 O3 -","- C41 H69 Al B Li N2 O3 -","- C164 H276 Al4 B4 Li4 N8 O12 -","4","1","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Reactivity of boryllithium with AlMe3, AlEt3, and GaMe3, including the synthesis of a lanthanum heterogallate complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15760","15770","10.1039/c4dt02155j","","","0.71073","MoKα","","0.1255","0.1068","","","0.2254","0.2362","","","","","","1.167","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032188","13.1057","0.0006","11.441","0.0004","25.9849","0.0012","90","","98.412","0.004","90","","3854.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H61 B Ga Li N2 O2 -","- C37 H61 B Ga Li N2 O2 -","- C148 H244 B4 Ga4 Li4 N8 O8 -","4","1","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Reactivity of boryllithium with AlMe3, AlEt3, and GaMe3, including the synthesis of a lanthanum heterogallate complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15760","15770","10.1039/c4dt02155j","","","0.71073","MoKα","","0.0604","0.0515","","","0.1139","0.1185","","","","","","1.146","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032189","14.761","0.0006","10.2182","0.0003","23.4025","0.001","90","","106.423","0.003","90","","3385.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H53 B Ga Li N2 O -","- C33 H53 B Ga Li N2 O -","- C132 H212 B4 Ga4 Li4 N8 O4 -","4","1","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Reactivity of boryllithium with AlMe3, AlEt3, and GaMe3, including the synthesis of a lanthanum heterogallate complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15760","15770","10.1039/c4dt02155j","","","0.71073","MoKα","","0.0938","0.0779","","","0.1276","0.1325","","","","","","1.286","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032190","14.8946","0.0005","12.7466","0.0004","19.579","0.0007","90","","100.066","0.001","90","","3660","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H59 Al B Li N2 O -","- C36 H59 Al B Li N2 O -","- C144 H236 Al4 B4 Li4 N8 O4 -","4","1","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Reactivity of boryllithium with AlMe3, AlEt3, and GaMe3, including the synthesis of a lanthanum heterogallate complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15760","15770","10.1039/c4dt02155j","","","0.71073","MoKα","","0.07","0.0618","","","0.1312","0.134","","","","","","1.189","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032191","17.7182","0.0011","10.9859","0.0006","17.7794","0.0011","90","","101.371","0.002","90","","3392.8","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H54 Al B N2 O -","- C34 H54 Al B N2 O -","- C136 H216 Al4 B4 N8 O4 -","4","2","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Reactivity of boryllithium with AlMe3, AlEt3, and GaMe3, including the synthesis of a lanthanum heterogallate complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15760","15770","10.1039/c4dt02155j","","","0.71073","MoKα","","0.038","0.035","","","0.0865","0.0882","","","","","","1.047","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032192","16.6419","0.0007","16.6895","0.0008","19.8034","0.001","77.527","0.003","71.205","0.002","60.46","0.002","4519.2","0.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","nd352zer3","","","- C87 H135 B3 Ga3 La N6 -","- C87 H135 B3 Ga3 La N6 -","- C174 H270 B6 Ga6 La2 N12 -","2","1","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Reactivity of boryllithium with AlMe3, AlEt3, and GaMe3, including the synthesis of a lanthanum heterogallate complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15760","15770","10.1039/c4dt02155j","","","0.71073","MoKα","","0.0329","0.0274","","","0.0673","0.0694","","","","","","1.04","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032193","12.285","0.005","12.307","0.005","15.748","0.005","76.953","0.005","70.139","0.005","88.562","0.005","2178.1","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H96 Cl2 Fe2 Gd2 N10 O34 -","- C78 H96 Cl2 Fe2 Gd2 N10 O34 -","- C78 H96 Cl2 Fe2 Gd2 N10 O34 -","1","0.5","","Bag, Prasenjit; Goura, Joydeb; Mereacre, Valeriu; Novitchi, Ghenadie; Powell, Annie K.; Chandrasekhar, Vadapalli","Synthesis, magnetism and Mössbauer studies of tetranuclear heterometallic {Fe(III)2Ln2}(Ln = Gd, Dy, Tb) complexes: evidence of slow relaxation of magnetization in the terbium analogue.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16366","16376","10.1039/c4dt01451k","","","0.71069","MoKα","","0.0952","0.0668","","","0.1443","0.1868","","","","","","1.088","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032194","12.269","0.005","12.291","0.005","15.695","0.005","77.011","0.005","70.165","0.005","88.607","0.005","2165.9","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H86 Cl2 Dy2 Fe2 N10 O34 -","- C78 H86 Cl2 Dy2 Fe2 N10 O34 -","- C78 H86 Cl2 Dy2 Fe2 N10 O34 -","1","0.5","","Bag, Prasenjit; Goura, Joydeb; Mereacre, Valeriu; Novitchi, Ghenadie; Powell, Annie K.; Chandrasekhar, Vadapalli","Synthesis, magnetism and Mössbauer studies of tetranuclear heterometallic {Fe(III)2Ln2}(Ln = Gd, Dy, Tb) complexes: evidence of slow relaxation of magnetization in the terbium analogue.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16366","16376","10.1039/c4dt01451k","","","0.71069","MoKα","","0.0517","0.0405","","","0.0978","0.1039","","","","","","1.038","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032195","12.27","0.005","12.297","0.005","15.728","0.005","76.923","0.005","70.149","0.005","88.647","0.005","2170.5","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H96 Cl2 Fe2 N10 O34 Tb2 -","- C78 H96 Cl2 Fe2 N10 O34 Tb2 -","- C78 H96 Cl2 Fe2 N10 O34 Tb2 -","1","0.5","","Bag, Prasenjit; Goura, Joydeb; Mereacre, Valeriu; Novitchi, Ghenadie; Powell, Annie K.; Chandrasekhar, Vadapalli","Synthesis, magnetism and Mössbauer studies of tetranuclear heterometallic {Fe(III)2Ln2}(Ln = Gd, Dy, Tb) complexes: evidence of slow relaxation of magnetization in the terbium analogue.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16366","16376","10.1039/c4dt01451k","","","0.71069","MoKα","","0.0862","0.0557","","","0.1286","0.1516","","","","","","1.034","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032196","15.474","0.003","7.0663","0.0014","14.061","0.003","90","","110.334","0.007","90","","1441.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Cl2 N4 Pt -","- C10 H20 Cl2 N4 Pt -","- C40 H80 Cl8 N16 Pt4 -","4","1","","Lewis-Alleyne, Lesley C; Bassil, Bassem S.; Böttcher, Tobias; Röschenthaler, Gerd-Volker","Selective synthesis of cis- and trans-[(NHC(Me))2PtCl2] and [NHC(Me)Pt(cod)Cl][NHC(Me)PtCl3] using NHC(Me)SiCl4.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15700","15703","10.1039/c4dt02214a","","","0.71073","MoKα","","0.0328","0.0248","","","0.075","0.0817","","","","","","1.177","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032197","19.905","0.002","11.9335","0.0011","18.0082","0.0018","90","","98.522","0.006","90","","4230.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Cl2 N4 Pt -","- C10 H20 Cl2 N4 Pt -","- C120 H240 Cl24 N48 Pt12 -","12","3","","Lewis-Alleyne, Lesley C; Bassil, Bassem S.; Böttcher, Tobias; Röschenthaler, Gerd-Volker","Selective synthesis of cis- and trans-[(NHC(Me))2PtCl2] and [NHC(Me)Pt(cod)Cl][NHC(Me)PtCl3] using NHC(Me)SiCl4.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15700","15703","10.1039/c4dt02214a","","","0.71073","MoKα","","0.0276","0.02","","","0.048","0.0511","","","","","","1.012","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7032198","13.568","0.003","14.159","0.003","12.365","0.002","90","","95.771","0.01","90","","2363.4","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cl4 N4 Pt2 -","- C18 H32 Cl4 N4 Pt2 -","- C72 H128 Cl16 N16 Pt8 -","4","1","","Lewis-Alleyne, Lesley C; Bassil, Bassem S.; Böttcher, Tobias; Röschenthaler, Gerd-Volker","Selective synthesis of cis- and trans-[(NHC(Me))2PtCl2] and [NHC(Me)Pt(cod)Cl][NHC(Me)PtCl3] using NHC(Me)SiCl4.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15700","15703","10.1039/c4dt02214a","","","0.71073","MoKα","","0.02","0.0184","","","0.0519","0.0527","","","","","","1.015","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032199","8.2911","0.0004","12.0292","0.0005","13.7289","0.0006","72.307","0.004","72.599","0.004","89.423","0.004","1239.86","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 O8 Pd4 Te4 -","- C44 H56 O8 Pd4 Te4 -","- C44 H56 O8 Pd4 Te4 -","1","0.5","","Kolay, Siddhartha; Kumar, Mukesh; Wadawale, Amey; Das, Dasarathi; Jain, Vimal K.","Cyclopalladation of telluro ether ligands: synthesis, reactivity and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16056","16065","10.1039/c4dt02200a","","","1.5418","CuKα","","0.06","0.0376","","","0.0846","0.0948","","","","","","1.042","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032200","9.9444","0.0003","22.0756","0.0008","10.5502","0.0004","90","","95.709","0.003","90","","2304.58","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 Cl4 O2 Pd2 Te2 -","- C42 H56 Cl4 O2 Pd2 Te2 -","- C84 H112 Cl8 O4 Pd4 Te4 -","2","0.5","","Kolay, Siddhartha; Kumar, Mukesh; Wadawale, Amey; Das, Dasarathi; Jain, Vimal K.","Cyclopalladation of telluro ether ligands: synthesis, reactivity and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16056","16065","10.1039/c4dt02200a","","","1.5418","CuKα","","0.0958","0.0674","","","0.1643","0.1747","","","","","","1.189","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032201","12.2913","0.0003","17.9732","0.0005","16.5408","0.0005","90","","101.904","0.003","90","","3575.51","0.18","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 O4 Pd2 Te2 -","- C36 H40 O4 Pd2 Te2 -","- C144 H160 O16 Pd8 Te8 -","4","1","","Kolay, Siddhartha; Kumar, Mukesh; Wadawale, Amey; Das, Dasarathi; Jain, Vimal K.","Cyclopalladation of telluro ether ligands: synthesis, reactivity and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16056","16065","10.1039/c4dt02200a","","","1.5418","CuKα","","0.111","0.0704","","","0.1732","0.1972","","","","","","1.066","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032202","11.1936","0.0003","33.0163","0.0013","11.9487","0.0003","90","","92.641","0.002","90","","4411.2","0.2","130","0.1","130","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H56 O4 Pd2 Te2 -","- C47 H56 O4 Pd2 Te2 -","- C188 H224 O16 Pd8 Te8 -","4","1","","Kolay, Siddhartha; Kumar, Mukesh; Wadawale, Amey; Das, Dasarathi; Jain, Vimal K.","Cyclopalladation of telluro ether ligands: synthesis, reactivity and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16056","16065","10.1039/c4dt02200a","","","1.5418","CuKα","","0.1009","0.0739","","","0.1838","0.2024","","","","","","1.047","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032203","11.3836","0.0008","12.8965","0.0007","16.0242","0.0009","87.937","0.005","78.771","0.006","67.794","0.006","2134.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H52 Cl2 Pd Te2 -","- C43 H52 Cl2 Pd Te2 -","- C86 H104 Cl4 Pd2 Te4 -","2","1","","Kolay, Siddhartha; Kumar, Mukesh; Wadawale, Amey; Das, Dasarathi; Jain, Vimal K.","Cyclopalladation of telluro ether ligands: synthesis, reactivity and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16056","16065","10.1039/c4dt02200a","","","1.5418","CuKα","","0.0773","0.0507","","","0.1151","0.1281","","","","","","1.057","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032204","8.85135","0.00016","10.39083","0.00017","23.3718","0.0005","90","","100.804","0.0018","90","","2111.47","0.07","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 Cl2 N2 Pd Te2 -","- C40 H50 Cl2 N2 Pd Te2 -","- C80 H100 Cl4 N4 Pd2 Te4 -","2","0.5","","Kolay, Siddhartha; Kumar, Mukesh; Wadawale, Amey; Das, Dasarathi; Jain, Vimal K.","Cyclopalladation of telluro ether ligands: synthesis, reactivity and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16056","16065","10.1039/c4dt02200a","","","1.5418","CuKα","","0.0504","0.0459","","","0.1302","0.1344","","","","","","1.13","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032205","12.8111","0.0003","19.8187","0.0004","12.0377","0.0002","90","","114.103","0.001","90","","2789.89","0.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Cl2 Pd Te2 -","- C27 H32 Cl2 Pd Te2 -","- C108 H128 Cl8 Pd4 Te8 -","4","1","","Kolay, Siddhartha; Kumar, Mukesh; Wadawale, Amey; Das, Dasarathi; Jain, Vimal K.","Cyclopalladation of telluro ether ligands: synthesis, reactivity and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16056","16065","10.1039/c4dt02200a","","","0.71073","MoKα","","0.0297","0.0238","","","0.0645","0.0755","","","","","","1.176","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032206","13.2813","0.0018","27.766","0.004","8.8018","0.0014","90","","100.405","0.005","90","","3192.5","0.8","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H27 B Cl F2 N5 O2 Pd -","- C33 H26 B F2 N5 O2 Pd -","- C132 H104 B4 F8 N20 O8 Pd4 -","4","1","","Lakshmi, V.; Lee, Way-Zen; Ravikanth, M.","Synthesis, structure and spectral and electrochemical properties of 3-pyrrolyl BODIPY-metal dipyrrin complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16006","16014","10.1039/c4dt01970a","","","0.71073","MoKα","","0.1437","0.0597","","","0.1169","0.1393","","","","","","0.865","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032207","9.66912","0.00035","9.66912","0.00035","6.85317","0.0003","90","","90","","120","","554.88","0.04","298","","298","","","","","","","","","5","P 63/m","-P 6c","176","ellestadite","ellestadite","","- Ca9.82 Cl1.64 O24 S3 Si3 -","- Ca9.8328 Cl1.664 O24 S3 Si3 -","- Ca9.8328 Cl1.664 O24 S3 Si3 -","1","0.0833333","","Fang, Y. N.; Ritter, Clemens; White, T. J.","Crystal chemical characteristics of ellestadite-type apatite: implications for toxic metal immobilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16031","16043","10.1039/c4dt02088j","powder diffraction","","1.38994","neutron","","","","","","","","","0.032","0.77","","","","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032208","9.6622","0.0003","9.6622","0.0003","6.8438","0.0002","90","","90","","120","","553.32","0.03","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","ellestadite","ellestadite","","- Ca9.84 Cl1.67 O24 P1.2 S2.4 Si2.4 -","- Ca9.8356 Cl1.672 O24 P1.212 S2.394 Si2.394 -","- Ca9.8356 Cl1.672 O24 P1.212 S2.394 Si2.394 -","1","0.0833333","","Fang, Y. N.; Ritter, Clemens; White, T. J.","Crystal chemical characteristics of ellestadite-type apatite: implications for toxic metal immobilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16031","16043","10.1039/c4dt02088j","powder diffraction","","1.38994","neutron","","","","","","","","","0.028","0.59","","","","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032209","9.65368","0.0005","9.65368","0.0005","6.83542","0.00042","90","","90","","120","","551.67","0.05","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","ellestadite","ellestadite","","- Ca9.84 Cl1.68 O24 P1.94 S2.03 Si2.03 -","- Ca9.8326 Cl1.68 O24 P1.938 S2.028 Si2.028 -","- Ca9.8326 Cl1.68 O24 P1.938 S2.028 Si2.028 -","1","0.0833333","","Fang, Y. N.; Ritter, Clemens; White, T. J.","Crystal chemical characteristics of ellestadite-type apatite: implications for toxic metal immobilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16031","16043","10.1039/c4dt02088j","powder diffraction","","1.38994","neutron","","","","","","","","","0.022","0.64","","","","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032210","9.62574","0.00039","9.62574","0.00039","6.78918","0.00036","90","","90","","120","","544.77","0.04","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","ellestadite","ellestadite","","- Ca10 Cl2 O24 P4.67 S0.66 Si0.66 -","- Ca10 Cl2 O24 P4.668 S0.666 Si0.666 -","- Ca10 Cl2 O24 P4.668 S0.666 Si0.666 -","1","0.0833333","","Fang, Y. N.; Ritter, Clemens; White, T. J.","Crystal chemical characteristics of ellestadite-type apatite: implications for toxic metal immobilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16031","16043","10.1039/c4dt02088j","powder diffraction","","1.38994","neutron","","","","","","","","","0.021","0.77","","","","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032211","9.62986","0.00022","9.62986","0.00022","6.78332","0.00021","90","","90","","120","","544.77","0.02","298","","298","","","","","","","","","6","P 63/m","-P 6c","176","ellestadite","ellestadite","","- Ca10 Cl2 O24 P5.46 S0.27 Si0.27 -","- Ca10 Cl2 O24 P5.454 S0.27 Si0.27 -","- Ca10 Cl2 O24 P5.454 S0.27 Si0.27 -","1","0.0833333","","Fang, Y. N.; Ritter, Clemens; White, T. J.","Crystal chemical characteristics of ellestadite-type apatite: implications for toxic metal immobilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16031","16043","10.1039/c4dt02088j","powder diffraction","","1.38994","neutron","","","","","","","","","0.022","0.67","","","","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032212","9.61822","0.00016","9.61822","0.00016","6.79199","0.00015","90","","90","","120","","544.148","0.018","298","","298","","","","","","","","","4","P 63/m","-P 6c","176","apatite","ellestadite","","- Ca10 Cl2 O24 P6 -","- Ca10 Cl2 O24 P6 -","- Ca10 Cl2 O24 P6 -","1","0.0833333","","Fang, Y. N.; Ritter, Clemens; White, T. J.","Crystal chemical characteristics of ellestadite-type apatite: implications for toxic metal immobilization.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16031","16043","10.1039/c4dt02088j","powder diffraction","","1.38994","neutron","","","","","","","","","0.029","0.69","","","","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032213","8.4187","0.0002","16.521","0.0004","18.4677","0.0004","90","","100.027","0.002","90","","2529.35","0.1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H25.5 Cl2 N6 O9.75 Pt -","- C20 H22 Cl2 N6 O9.75 Pt -","- C80 H88 Cl8 N24 O39 Pt4 -","4","2","","Pages, Benjamin J.; Li, Feng; Wormell, Paul; Ang, Dale L.; Clegg, Jack K.; Kepert, Cameron J.; Spare, Lawson K.; Danchaiwijit, Supawich; Aldrich-Wright, Janice R","Synthesis and analysis of the anticancer activity of platinum(ii) complexes incorporating dipyridoquinoxaline variants.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15566","15575","10.1039/c4dt02133a","","","0.71073","MoKα","","0.0902","0.0504","","","0.1095","0.1316","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032214","9.086","0.0007","10.4112","0.0008","12.5088","0.001","90.739","0.001","104.555","0.001","94.704","0.001","1140.76","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H22 F6 N4 O4 P Ru -","- C16 H22 F6 N4 O4 P Ru -","- C32 H44 F12 N8 O8 P2 Ru2 -","2","1","","Yoshida, Jun; Sugawara, Keisuke; Yuge, Hidetaka; Okabayashi, Jun","Bis(acetylacetonato)bis(pyrazolato)ruthenate(iii) as a redox-active scorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16066","16073","10.1039/c4dt02331e","","","0.71073","MoKα","","0.0689","0.0492","","","","0.1575","","","","","","1.041","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032215","21.1904","0.0018","13.8632","0.0012","17.291","0.0014","90","","107.78","0.001","90","","4836.9","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H52 N8 O9 Ru3 -","- C45 H52 N8 O9 Ru3 -","- C180 H208 N32 O36 Ru12 -","4","1","","Yoshida, Jun; Sugawara, Keisuke; Yuge, Hidetaka; Okabayashi, Jun","Bis(acetylacetonato)bis(pyrazolato)ruthenate(iii) as a redox-active scorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16066","16073","10.1039/c4dt02331e","","","0.71073","MoKα","","0.1239","0.0613","","","0.131","0.1604","","","","","","1.044","","","","has coordinates,has disorder","180028","2020-10-21","18:00:00",""
"7032216","8.4786","0.0011","16.651","0.002","15.444","0.002","90","","92.841","0.002","90","","2177.7","0.5","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C38 H46 N8 O8 Ru2 Zn -","- C38 H46 N8 O8 Ru2 Zn -","- C76 H92 N16 O16 Ru4 Zn2 -","2","1","","Yoshida, Jun; Sugawara, Keisuke; Yuge, Hidetaka; Okabayashi, Jun","Bis(acetylacetonato)bis(pyrazolato)ruthenate(iii) as a redox-active scorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16066","16073","10.1039/c4dt02331e","","","0.71073","MoKα","","0.0719","0.0418","","","0.0655","0.0758","","","","","","0.966","","","","has coordinates,has disorder","180028","2020-10-21","18:00:00",""
"7032217","8.5206","0.0004","26.724","0.0013","8.9397","0.0005","90","","113.796","0.001","90","","1862.56","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N4 O4 Ru -","- C16 H21 N4 O4 Ru -","- C64 H84 N16 O16 Ru4 -","4","1","","Yoshida, Jun; Sugawara, Keisuke; Yuge, Hidetaka; Okabayashi, Jun","Bis(acetylacetonato)bis(pyrazolato)ruthenate(iii) as a redox-active scorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16066","16073","10.1039/c4dt02331e","","","0.71073","MoKα","","0.0449","0.031","","","0.0656","0.0749","","","","","","1.039","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032218","13.03","0.009","13.687","0.01","15.078","0.01","91.61","0.02","107.895","0.019","102.39","0.02","2487","3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H52 N20 Ni4 O16 S4 -","- C72 H52 N20 Ni4 O16 S4 -","- C72 H52 N20 Ni4 O16 S4 -","1","0.5","","Bala, Sukhen; Mondal, Indranil; Goswami, Arijit; Pal, Ujjwal; Mondal, Raju","Synthesis, crystal structure and optical properties of a naphthylbisimide-Ni complex: a framework on TiO2 for visible light H2 production.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15704","15707","10.1039/c4dt02006e","","","0.71073","MoKα","","0.1208","0.0821","","","0.2171","0.2675","","","","","","1.241","","","","has coordinates,has disorder","180028","2020-10-21","18:00:00",""
"7032219","12.419","0.003","16.935","0.003","28.984","0.006","93.21","0.03","98.64","0.03","108.5","0.03","5680","2","393","2","393","2","","","","","","","","4","P -1","-P 1","2","yusy1","","","- C91 H66 N24 Pd6 -","- C90 H66 N24 Pd6 -","- C180 H132 N48 Pd12 -","2","1","","Jiang, Xuan-Feng; Deng, Wei; Jin, Rui; Qin, Lin; Yu, Shu-Yan","Self-assembly of tri-pyrazolate linked cages with di-palladium coordination motifs.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16015","16024","10.1039/c4dt01745e","","","0.71073","MoKα","","0.0974","0.0545","","","0.1264","0.1356","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032220","18.617","0.004","19.665","0.004","24.241","0.005","74.7","0.03","68.97","0.03","84.45","0.03","7990","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C204 H206 N50 O18 Pd10 -","- C204 H206 N50 O18 Pd10 -","- C204 H206 N50 O18 Pd10 -","1","0.5","","Jiang, Xuan-Feng; Deng, Wei; Jin, Rui; Qin, Lin; Yu, Shu-Yan","Self-assembly of tri-pyrazolate linked cages with di-palladium coordination motifs.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16015","16024","10.1039/c4dt01745e","","","0.71073","MoKα","","0.1295","0.1114","","","0.296","0.3281","","","","","","1.27","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032221","21.424","0.004","21.647","0.004","23.509","0.005","67.45","0.03","68.36","0.03","86.25","0.03","9323","4","393","2","393","2","","","","","","","","6","P -1","-P 1","2","","","","- C240 H204 F72 N48 P12 Pd12 -","- C240 H204 F72 N48 P12 Pd12 -","- C240 H204 F72 N48 P12 Pd12 -","1","0.5","","Jiang, Xuan-Feng; Deng, Wei; Jin, Rui; Qin, Lin; Yu, Shu-Yan","Self-assembly of tri-pyrazolate linked cages with di-palladium coordination motifs.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16015","16024","10.1039/c4dt01745e","","","0.71073","MoKα","","0.0623","0.0599","","","0.154","0.1561","","","","","","1.173","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032222","16.367","0.009","18.976","0.009","21.069","0.011","94.611","0.012","107.429","0.014","95.671","0.003","6171","6","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C184 H188 N52 O36 Pd10 -","- C184 H188 N52 O36 Pd10 -","- C184 H188 N52 O36 Pd10 -","1","0.5","","Jiang, Xuan-Feng; Deng, Wei; Jin, Rui; Qin, Lin; Yu, Shu-Yan","Self-assembly of tri-pyrazolate linked cages with di-palladium coordination motifs.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16015","16024","10.1039/c4dt01745e","","","0.71073","MoKα","","0.076","0.0582","","","0.1249","0.1298","","","","","","1.077","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032223","22.144","0.004","25.555","0.005","29.195","0.006","88.07","0.03","74.13","0.03","71.95","0.03","15086","6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C228 H254 N54 O30 Pd10 -","- C228 H254 N54 O30 Pd10 -","- C456 H508 N108 O60 Pd20 -","2","1","","Jiang, Xuan-Feng; Deng, Wei; Jin, Rui; Qin, Lin; Yu, Shu-Yan","Self-assembly of tri-pyrazolate linked cages with di-palladium coordination motifs.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16015","16024","10.1039/c4dt01745e","","","0.71073","MoKα","","0.0754","0.0519","","","0.1526","0.1545","","","","","","1.074","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032224","9.66","0.004","10.747","0.005","10.981","0.005","81.433","0.005","68.491","0.005","84.688","0.005","1047.9","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H49 N6 O4.5 S2 -","- C44 H49 N6 O4.5 S2 -","- C44 H49 N6 O4.5 S2 -","1","0.5","","Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy","Self-assembled Cu(ii) and Ni(ii) metallamacrocycles formed from 3,3,3',3'-tetrabenzyl-1,1'-aroylbis(thiourea) ligands: DNA and protein binding studies, and cytotoxicity of trinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16395","16410","10.1039/c4dt01859a","","","0.71073","MoKα","","0.0448","0.0394","","","0.1039","0.1089","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032225","6.4932","0.0006","22.72","0.002","23.008","0.002","90","","90","","90","","3394.3","0.5","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 N4 O2 S2 -","- C38 H34 N4 O2 S2 -","- C152 H136 N16 O8 S8 -","4","1","","Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy","Self-assembled Cu(ii) and Ni(ii) metallamacrocycles formed from 3,3,3',3'-tetrabenzyl-1,1'-aroylbis(thiourea) ligands: DNA and protein binding studies, and cytotoxicity of trinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16395","16410","10.1039/c4dt01859a","","","0.71073","MoKα","","0.0433","0.037","","","0.0811","0.084","","","","","","1.026","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032226","14.2692","0.0007","36.2013","0.0017","20.1957","0.001","90","","109.057","0.002","90","","9860.6","0.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C114 H96 N12 Ni3 O6 S6 -","- C114 H96 N12 Ni3 O6 S6 -","- C456 H384 N48 Ni12 O24 S24 -","4","1","","Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy","Self-assembled Cu(ii) and Ni(ii) metallamacrocycles formed from 3,3,3',3'-tetrabenzyl-1,1'-aroylbis(thiourea) ligands: DNA and protein binding studies, and cytotoxicity of trinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16395","16410","10.1039/c4dt01859a","","","1.54178","CuKα","","0.0997","0.0577","","","0.1227","0.1388","","","","","","1.016","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032227","10.901","0.002","38.112","0.008","12.697","0.003","90","","114.672","0.002","90","","4793.5","1.8","110.15","","110.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C111 H99 Cu2 N15 O4 S4 -","- C111 H99 Cu2 N15 O4 S4 -","- C222 H198 Cu4 N30 O8 S8 -","2","0.5","","Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy","Self-assembled Cu(ii) and Ni(ii) metallamacrocycles formed from 3,3,3',3'-tetrabenzyl-1,1'-aroylbis(thiourea) ligands: DNA and protein binding studies, and cytotoxicity of trinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16395","16410","10.1039/c4dt01859a","","","0.71073","MoKα","","0.0456","0.0355","","","0.0799","0.0851","","","","","","1.051","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032228","13.7894","0.0011","17.4839","0.0014","10.8445","0.0009","90","","100.429","0.001","90","","2571.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24.5 Cu N3.5 O5 -","- C25 H20 Cu N2 O5 -","- C100 H80 Cu4 N8 O20 -","4","1","","Liu, Jian-Qiang; Wu, Jian; Jia, Zhen-Bin; Chen, Hong-Lang; Li, Qing-Lin; Sakiyama, Hiroshi; Soares, Thereza; Ren Fei,; Daiguebonne, Carole; Guillou, Olivier; Ng, Seik Weng","Two isoreticular metal-organic frameworks with CdSO4-like topology: selective gas sorption and drug delivery.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17265","17273","10.1039/c4dt01890g","","","0.71073","MoKα","","0.0654","0.0377","","","0.0964","0.1104","","","","","","1.019","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032229","13.7352","0.0016","17.888","0.002","11.0251","0.0014","90","","100.46","0.002","90","","2663.8","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 Cu N2 O9 -","- C25 H20 Cu N2 O5 -","- C100 H80 Cu4 N8 O20 -","4","0.5","","Liu, Jian-Qiang; Wu, Jian; Jia, Zhen-Bin; Chen, Hong-Lang; Li, Qing-Lin; Sakiyama, Hiroshi; Soares, Thereza; Ren Fei,; Daiguebonne, Carole; Guillou, Olivier; Ng, Seik Weng","Two isoreticular metal-organic frameworks with CdSO4-like topology: selective gas sorption and drug delivery.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17265","17273","10.1039/c4dt01890g","","","0.71073","MoKα","","0.1099","0.0588","","","0.1698","0.1942","","","","","","0.912","","","","has coordinates,has disorder","180028","2020-10-21","18:00:00",""
"7032230","10.183","0.006","11.355","0.007","13.428","0.007","107.863","0.01","92.769","0.009","102.293","0.007","1433.1","1.4","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C34 H32 N6 -","- C34 H32 N6 -","- C68 H64 N12 -","2","1","","Mikata, Yuji; Takeuchi, Saaya; Higuchi, Eri; Ochi, Ayaka; Konno, Hideo; Yanai, Kazuma; Sato, Shin-Ichiro","Zinc-specific intramolecular excimer formation in TQEN derivatives: fluorescence and zinc binding properties of TPEN-based hexadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16377","16386","10.1039/c4dt01847h","","","0.71075","MoKα","","","0.0552","","","","0.1424","","","","","","1.065","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032231","9.4162","0.0008","14.2496","0.0009","11.872","0.0012","90","","105.124","0.004","90","","1537.8","0.2","123","","123","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C34 H40 N6 O4 -","- C34 H40 N6 O4 -","- C68 H80 N12 O8 -","2","0.5","","Mikata, Yuji; Takeuchi, Saaya; Higuchi, Eri; Ochi, Ayaka; Konno, Hideo; Yanai, Kazuma; Sato, Shin-Ichiro","Zinc-specific intramolecular excimer formation in TQEN derivatives: fluorescence and zinc binding properties of TPEN-based hexadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16377","16386","10.1039/c4dt01847h","","","0.7107","MoKα","","","0.0463","","","","0.1185","","","","","","1.159","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032232","12.054","0.0009","14.353","0.0008","21.7345","0.0012","90","","92.903","0.004","90","","3755.5","0.4","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Cl2 N6 O10 Zn -","- C36 H32 Cl2 N6 O10 Zn -","- C144 H128 Cl8 N24 O40 Zn4 -","4","1","","Mikata, Yuji; Takeuchi, Saaya; Higuchi, Eri; Ochi, Ayaka; Konno, Hideo; Yanai, Kazuma; Sato, Shin-Ichiro","Zinc-specific intramolecular excimer formation in TQEN derivatives: fluorescence and zinc binding properties of TPEN-based hexadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16377","16386","10.1039/c4dt01847h","","","0.7107","MoKα","","","0.049","","","","0.1377","","","","","","1.047","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032233","13.4515","0.0013","18.682","0.0017","14.9345","0.0014","90","","97.4707","0.0011","90","","3721.2","0.6","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 Cl2 N7 O9 Zn -","- C37 H39 Cl2 N7 O9 Zn -","- C148 H156 Cl8 N28 O36 Zn4 -","4","1","","Mikata, Yuji; Takeuchi, Saaya; Higuchi, Eri; Ochi, Ayaka; Konno, Hideo; Yanai, Kazuma; Sato, Shin-Ichiro","Zinc-specific intramolecular excimer formation in TQEN derivatives: fluorescence and zinc binding properties of TPEN-based hexadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16377","16386","10.1039/c4dt01847h","","","0.7107","MoKα","","","0.0667","","","","0.2058","","","","","","1.173","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032234","13.3372","0.0004","16.1753","0.0004","17.2852","0.0005","78.593","0.001","70.031","0.001","84.129","0.001","3433.12","0.17","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C135 H116 B2 Br2 Cl2 Co2 F48 N6 O2 -","- C135 H116 B2 Br2 Cl2 Co2 F48 N6 O2 -","- C135 H116 B2 Br2 Cl2 Co2 F48 N6 O2 -","1","0.5","","Alnajrani, Mohammed N.; Mair, Francis S.","Synthesis and characterization of β-triketimine cobalt complexes and their behaviour in the polymerization of 1,3-butadiene.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15727","15736","10.1039/c4dt02196g","","","0.71073","MoKα","","0.1003","0.0657","","","0.1511","0.1726","","","","","","1.015","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032235","13.2409","0.0006","16.121","0.0007","17.0741","0.0006","77.562","0.003","71.167","0.004","82.189","0.004","3359.8","0.3","105","7","105","7","","","","","","","","9","P -1","-P 1","2","","","","- C131 H108 B2 Br2 Cl2 Co2 F48 N6 O2 -","- C131 H108 B2 Br2 Cl2 Co2 F48 N6 O2 -","- C131 H108 B2 Br2 Cl2 Co2 F48 N6 O2 -","1","0.5","","Alnajrani, Mohammed N.; Mair, Francis S.","Synthesis and characterization of β-triketimine cobalt complexes and their behaviour in the polymerization of 1,3-butadiene.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15727","15736","10.1039/c4dt02196g","","x-ray","0.71073","MoKα","","0.1339","0.0741","","","0.1647","0.2051","","","","","","1.043","","","","has coordinates,has disorder","180028","2020-10-21","18:00:00",""
"7032236","13.4133","0.0007","15.7628","0.0008","16.2244","0.0009","81.32","0.004","73.034","0.005","83.347","0.004","3234.1","0.3","150","","150","","","","","","","","","9","P -1","-P 1","2","L3CoBr BArF dimer","","","- C127 H100 B2 Br2 Cl2 Co2 F48 N6 O2 -","- C127 H100 B2 Br2 Cl2 Co2 F48 N6 O2 -","- C127 H100 B2 Br2 Cl2 Co2 F48 N6 O2 -","1","0.5","","Alnajrani, Mohammed N.; Mair, Francis S.","Synthesis and characterization of β-triketimine cobalt complexes and their behaviour in the polymerization of 1,3-butadiene.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15727","15736","10.1039/c4dt02196g","","x-ray","1.54184","CuKα","","0.1133","0.0985","","","0.2776","0.2937","","","","","","1.023","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032237","25.655","0.005","28.561","0.006","32.001","0.006","90","","90","","90","","23448","8","173","2","173","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C58 H43 Co3 N2 Na5 O28 -","- C58 H36 Co3 N4 Na5 O27 -","- C928 H576 Co48 N64 Na80 O432 -","16","0.5","","Chen, Wen-Xian; Tan, Li; Liu, Qiu-Ping; Qiang, Gen-Rong; Zhuang, Gui-Lin","The ionothermal synthesis, structure, and magnetism-structure relationship of two biphenyl tetracarboxylic acid-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16515","16521","10.1039/c4dt02042a","","","0.71073","MoKα","","0.0942","0.0792","","","0.2172","0.2367","","","","","","1.058","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032238","30.577","0.006","13.818","0.003","16.241","0.003","90","","115.81","0.03","90","","6177","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H9 Mn2 O10 -","- C18 H9 Mn2 O10 -","- C144 H72 Mn16 O80 -","8","1","","Chen, Wen-Xian; Tan, Li; Liu, Qiu-Ping; Qiang, Gen-Rong; Zhuang, Gui-Lin","The ionothermal synthesis, structure, and magnetism-structure relationship of two biphenyl tetracarboxylic acid-based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16515","16521","10.1039/c4dt02042a","","","0.71073","MoKα","","0.1128","0.0757","","","0.2505","0.275","","","","","","1.096","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032239","9.0066","0.0001","13.7975","0.0002","17.5755","0.0002","80.842","0.001","84.824","0.001","79.822","0.001","2117.97","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H51 Cl2 N5 O11 -","- C40 H51 Cl2 N5 O11 -","- C80 H102 Cl4 N10 O22 -","2","1","","Zigon, Nicolas; Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","A luminescent molecular turnstile.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15779","15784","10.1039/c4dt02258k","","","0.71073","MoKα","","0.0756","0.047","","","0.1097","0.123","","","","","","1.023","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032246","5.2354","0.0003","5.2354","0.0003","9.6787","0.0005","90","","90","","120","","229.75","0.02","293","2","293","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- As4 H4 N4 O6 -","- As4 H4 N4 O6 -","- As4 H4 N4 O6 -","1","0.0416667","","Guńka, Piotr A; Kraszewski, Karol; Chen, Yu-Sheng; Zachara, Janusz","The structure and energetics of arsenic(iii) oxide intercalated by ionic azides.","Dalton transactions","2014","43","33","12776","12783","10.1039/c4dt01569j","","","0.71073","MoKα","","0.0192","0.0155","","","0.0379","0.0388","","","","","","1.22","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032247","5.2425","0.001","5.2425","0.001","9.4865","0.0017","90","","90","","120","","225.79","0.07","45","2","45","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- As4 K N3 O6 -","- As4 K N3 O6 -","- As4 K N3 O6 -","1","0.0416667","","Guńka, Piotr A; Kraszewski, Karol; Chen, Yu-Sheng; Zachara, Janusz","The structure and energetics of arsenic(iii) oxide intercalated by ionic azides.","Dalton transactions","2014","43","33","12776","12783","10.1039/c4dt01569j","","","0.38745","synchrotron","","0.0225","0.022","","","0.0538","0.0539","","","","","","1.356","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032248","5.2429","0.001","5.2429","0.001","9.5072","0.0018","90","","90","","120","","226.32","0.07","35","2","35","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- As4 K N3 O6 -","- As4 K N3 O6 -","- As4 K N3 O6 -","1","0.0416667","","Guńka, Piotr A; Kraszewski, Karol; Chen, Yu-Sheng; Zachara, Janusz","The structure and energetics of arsenic(iii) oxide intercalated by ionic azides.","Dalton transactions","2014","43","33","12776","12783","10.1039/c4dt01569j","","","0.38745","synchrotron","","0.0276","0.0261","","","0.0669","0.0673","","","","","","1.215","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032249","5.246","0.0011","5.246","0.0011","9.535","0.002","90","","90","","120","","227.25","0.08","25","2","25","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- As4 K N3 O6 -","- As4 K N3 O6 -","- As4 K N3 O6 -","1","0.0416667","","Guńka, Piotr A; Kraszewski, Karol; Chen, Yu-Sheng; Zachara, Janusz","The structure and energetics of arsenic(iii) oxide intercalated by ionic azides.","Dalton transactions","2014","43","33","12776","12783","10.1039/c4dt01569j","","","0.38745","synchrotron","","0.0333","0.0314","","","0.0837","0.0846","","","","","","1.299","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032250","5.2469","0.0012","5.2469","0.0012","9.56","0.002","90","","90","","120","","227.93","0.09","15","2","15","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- As4 K N3 O6 -","- As4 K N3 O6 -","- As4 K N3 O6 -","1","0.0416667","","Guńka, Piotr A; Kraszewski, Karol; Chen, Yu-Sheng; Zachara, Janusz","The structure and energetics of arsenic(iii) oxide intercalated by ionic azides.","Dalton transactions","2014","43","33","12776","12783","10.1039/c4dt01569j","","","0.38745","synchrotron","","0.0365","0.0348","","","0.0904","0.091","","","","","","1.183","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032251","5.2472","0.0013","5.2472","0.0013","9.589","0.002","90","","90","","120","","228.64","0.09","30","2","30","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- As4 K N3 O6 -","- As4 K N3 O6 -","- As4 K N3 O6 -","1","0.0416667","","Guńka, Piotr A; Kraszewski, Karol; Chen, Yu-Sheng; Zachara, Janusz","The structure and energetics of arsenic(iii) oxide intercalated by ionic azides.","Dalton transactions","2014","43","33","12776","12783","10.1039/c4dt01569j","","","0.38745","synchrotron","","0.0417","0.0397","","","0.1008","0.1016","","","","","","1.157","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032252","35.4499","0.0003","11.1438","0.0001","25.165","0.0002","90","","104.286","0.0003","90","","9633.92","0.14","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H48 B F15 N2 -","- C53 H48 B F15 N2 -","- C424 H384 B8 F120 N16 -","8","1","","Phillips, Nicholas; Tirfoin, Rémi; Aldridge, Simon","Anionic N-heterocyclic carbenes (NHCs): a versatile route to saturated NHCs bearing pendant weakly coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15279","15282","10.1039/c4dt02662d","","","0.71073","MoKα","","0.0875","0.0603","","0.1603","0.134","0.1603","","","","","","0.9296","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032253","10.4429","0.0001","32.1025","0.0005","12.9291","0.0002","90","","100.008","0.0012","90","","4268.44","0.1","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H42 B F15 N2 -","- C47 H42 B F15 N2 -","- C188 H168 B4 F60 N8 -","4","1","","Phillips, Nicholas; Tirfoin, Rémi; Aldridge, Simon","Anionic N-heterocyclic carbenes (NHCs): a versatile route to saturated NHCs bearing pendant weakly coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15279","15282","10.1039/c4dt02662d","","","1.5418","CuKα","","0.0492","0.0471","","0.1281","0.1258","0.1281","","","","","","1.0077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032254","12.3124","0.0004","15.5237","0.0005","15.686","0.0004","66.407","0.003","80.487","0.002","89.507","0.003","2704.24","0.16","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H64 B F15 N2 O2 -","- C56 H64 B F15 N2 O2 -","- C112 H128 B2 F30 N4 O4 -","2","1","","Phillips, Nicholas; Tirfoin, Rémi; Aldridge, Simon","Anionic N-heterocyclic carbenes (NHCs): a versatile route to saturated NHCs bearing pendant weakly coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15279","15282","10.1039/c4dt02662d","","","1.5418","CuKα","","0.0372","0.0347","","0.0893","0.0873","0.0893","","","","","","1.0011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032255","10.5956","0.0002","22.626","0.0003","24.4132","0.0004","90","","98.9391","0.0006","90","","5781.64","0.16","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H63 B F15 K N2 O6 -","- C58 H63 B F15 K N2 O6 -","- C232 H252 B4 F60 K4 N8 O24 -","4","1","","Phillips, Nicholas; Tirfoin, Rémi; Aldridge, Simon","Anionic N-heterocyclic carbenes (NHCs): a versatile route to saturated NHCs bearing pendant weakly coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15279","15282","10.1039/c4dt02662d","","","0.71073","MoKα","","0.1062","0.0689","","0.1453","0.1251","0.1453","","","","","","0.9348","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032256","10.3204","0.0001","23.3192","0.0002","23.4928","0.0002","90","","98.6503","0.0008","90","","5589.54","0.09","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H65 B F15 N2 Rh -","- C60 H65 B F15 N2 Rh -","- C240 H260 B4 F60 N8 Rh4 -","4","1","","Phillips, Nicholas; Tirfoin, Rémi; Aldridge, Simon","Anionic N-heterocyclic carbenes (NHCs): a versatile route to saturated NHCs bearing pendant weakly coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15279","15282","10.1039/c4dt02662d","","","1.5418","CuKα","","0.0312","0.0297","","0.0784","0.0773","0.0784","","","","","","1.0058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032257","10.8473","0.0003","16.4395","0.0004","19.8987","0.0004","69.27","0.002","87.964","0.002","88.679","0.002","3316.39","0.15","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C63 H73 Au B Cl F15 Li N2 O4 -","- C63 H73 Au B Cl F15 Li N2 O4 -","- C126 H146 Au2 B2 Cl2 F30 Li2 N4 O8 -","2","1","","Phillips, Nicholas; Tirfoin, Rémi; Aldridge, Simon","Anionic N-heterocyclic carbenes (NHCs): a versatile route to saturated NHCs bearing pendant weakly coordinating anions.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15279","15282","10.1039/c4dt02662d","","","1.5418","CuKα","","0.1159","0.0839","","0.2188","0.2025","0.2188","","","","","","1.0183","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032258","7.94","0.0016","10.66","0.002","11.81","0.002","113.84","0.03","92.39","0.03","108.15","0.03","852.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Fe3 N10 S2 -","- C36 H28 Fe3 N10 S2 -","- C36 H28 Fe3 N10 S2 -","1","0.5","","Scott, Hayley S.; Gartshore, Christopher J.; Guo, Si-Xuan; Moubaraki, Boujemaa; Bond, Alan M.; Batten, Stuart R.; Murray, Keith S.","Ferrocene-appended ligands for use in spin crossover-redox ""hybrid"" complexes of iron(ii) and cobalt(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15212","15220","10.1039/c4dt02126f","","","0.71073","synchrotron","","0.0433","0.0391","","","0.0982","0.1006","","","","","","1.09","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032259","12.802","0.003","18.888","0.004","20.634","0.004","90","","96.3","0.03","90","","4959.3","1.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H41 Cl2 Co Fe2 N8 O8 -","- C54 H41 Cl2 Co Fe2 N8 O8 -","- C216 H164 Cl8 Co4 Fe8 N32 O32 -","4","1","","Scott, Hayley S.; Gartshore, Christopher J.; Guo, Si-Xuan; Moubaraki, Boujemaa; Bond, Alan M.; Batten, Stuart R.; Murray, Keith S.","Ferrocene-appended ligands for use in spin crossover-redox ""hybrid"" complexes of iron(ii) and cobalt(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15212","15220","10.1039/c4dt02126f","","","0.71073","synchrotron","","0.087","0.0647","","","0.1789","0.1936","","","","","","1.042","","","","has coordinates,has disorder","180028","2020-10-21","18:00:00",""
"7032260","12.833","0.003","21.216","0.004","19.474","0.004","90","","106.19","0.03","90","","5092","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H38 Cl2 Fe3 N6 O9 -","- C54 H38 Cl2 Fe3 N6 O9 -","- C216 H152 Cl8 Fe12 N24 O36 -","4","1","","Scott, Hayley S.; Gartshore, Christopher J.; Guo, Si-Xuan; Moubaraki, Boujemaa; Bond, Alan M.; Batten, Stuart R.; Murray, Keith S.","Ferrocene-appended ligands for use in spin crossover-redox ""hybrid"" complexes of iron(ii) and cobalt(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15212","15220","10.1039/c4dt02126f","","","0.71073","Synchrotron","","0.1259","0.0966","","","0.2577","0.2768","","","","","","1.09","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032261","13.931","0.003","18.433","0.004","22.377","0.007","90","","127.04","0.02","90","","4587","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 Cu2 N8 O8 -","- C52 H36 Cu2 N8 O8 -","- C208 H144 Cu8 N32 O32 -","4","1","","Li, Yun-Wu; Li, Da-Cheng; Xu, Jian; Hao, Hong-Guo; Wang, Su-Na; Dou, Jian-Min; Hu, Tong-Liang; Bu, Xian-He","Structural modulation in two Cu(II)-based MOFs by synergistic assembly involving the mixed-ligand synthetic strategy and the solvent effect.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15708","15712","10.1039/c4dt02321h","","","0.71073","MoKα","","0.0758","0.0527","","","0.1038","0.112","","","","","","1.114","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032262","16.195","0.003","23.027","0.005","23.751","0.005","72.72","0.03","75.6","0.03","82.82","0.03","8179","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H104 Cu16 N16 O62 -","- C168 H104 Cu16 N16 O62 -","- C336 H208 Cu32 N32 O124 -","2","1","","Li, Yun-Wu; Li, Da-Cheng; Xu, Jian; Hao, Hong-Guo; Wang, Su-Na; Dou, Jian-Min; Hu, Tong-Liang; Bu, Xian-He","Structural modulation in two Cu(II)-based MOFs by synergistic assembly involving the mixed-ligand synthetic strategy and the solvent effect.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15708","15712","10.1039/c4dt02321h","","","0.71073","MoKα","","0.1541","0.0808","","","0.1433","0.1677","","","","","","1.071","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032263","8.46477","0.00015","15.5297","0.0003","18.5374","0.0004","90","","95.4706","0.001","90","","2425.74","0.08","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Autrpy_NHClpy","","","- C20 H17 Au Cl3 N5 O9 -","- C20 H17 Au Cl3 N5 O9 -","- C80 H68 Au4 Cl12 N20 O36 -","4","1","","Iwashita, Satoshi; Saito, Yoshiaki; Ohtsu, Hideki; Tsuge, Kiyoshi","Synthesis, structures and stability of amido gold(iii) complexes with 2,2':6',2''-terpyridine.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15719","15722","10.1039/c4dt02279c","","","1.54187","CuKα","","","0.0406","","","","0.0997","","","","","","1.087","","","","has coordinates","188927","2020-10-21","18:00:00",""
"7032264","7.4498","0.0003","23.188","0.0008","26.8342","0.0008","90","","90","","90","","4635.5","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","Autrpy_NHClpym","","","- C19 H13 Au Cl3 N6 O8 -","- C19 H13 Au Cl3 N6 O8 -","- C152 H104 Au8 Cl24 N48 O64 -","8","1","","Iwashita, Satoshi; Saito, Yoshiaki; Ohtsu, Hideki; Tsuge, Kiyoshi","Synthesis, structures and stability of amido gold(iii) complexes with 2,2':6',2''-terpyridine.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15719","15722","10.1039/c4dt02279c","","","1.54187","CuKα","","","0.0608","","","","0.1437","","","","","","0.834","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032265","8.1314","0.00018","11.2285","0.0003","13.7736","0.0003","103.903","0.0013","93.7274","0.0014","90.9481","0.0014","1217.48","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","Autrpy-NHpym","","","- C21 H17.5 Au Cl2 N7.5 O8 -","- C20.5 H15 Au Cl2 N8 O8 -","- C41 H30 Au2 Cl4 N16 O16 -","2","1","","Iwashita, Satoshi; Saito, Yoshiaki; Ohtsu, Hideki; Tsuge, Kiyoshi","Synthesis, structures and stability of amido gold(iii) complexes with 2,2':6',2''-terpyridine.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15719","15722","10.1039/c4dt02279c","","","1.54187","CuKα","","","0.0623","","","","0.1635","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032266","7.4387","0.0005","10.1811","0.0008","13.723","0.0008","69.747","0.006","74.437","0.006","72.227","0.007","912.99","0.12","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 Cl3 Fe I2 -","- C18 H9 Cl3 Fe I2 -","- C36 H18 Cl6 Fe2 I4 -","2","1","","Pfaff, Ulrike; Filipczyk, Grzegorz; Hildebrandt, Alexander; Korb, Marcus; Lang, Heinrich","1,3,5-Triferrocenyl-2,4,6-tris(ethynylferrocenyl)-benzene - a new member of the family of multiferrocenyl-functionalized cyclic systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16310","16321","10.1039/c4dt02307b","","","0.71073","MoKα","","0.0288","0.0243","","","0.0497","0.0513","","","","","","1.032","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032267","27.984","0.002","9.9891","0.0004","20.7362","0.0017","90","","119.178","0.01","90","","5061","0.8","110","0.1","110","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H36 Cl6 Fe4 I2 -","- C60.0002 H36 Cl6 Fe4 I2 -","- C240.001 H144 Cl24 Fe16 I8 -","4","0.5","","Pfaff, Ulrike; Filipczyk, Grzegorz; Hildebrandt, Alexander; Korb, Marcus; Lang, Heinrich","1,3,5-Triferrocenyl-2,4,6-tris(ethynylferrocenyl)-benzene - a new member of the family of multiferrocenyl-functionalized cyclic systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16310","16321","10.1039/c4dt02307b","","","0.71073","MoKα","","0.1186","0.1032","","","0.2686","0.2784","","","","","","1.144","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032268","12.8015","0.0006","32.736","0.003","18.6516","0.001","90","","90","","90","","7816.3","0.9","109.9","0.2","109.9","0.2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C52 H36 Cl2 Fe4 -","- C52 H36 Cl2 Fe4 -","- C416 H288 Cl16 Fe32 -","8","1","","Pfaff, Ulrike; Filipczyk, Grzegorz; Hildebrandt, Alexander; Korb, Marcus; Lang, Heinrich","1,3,5-Triferrocenyl-2,4,6-tris(ethynylferrocenyl)-benzene - a new member of the family of multiferrocenyl-functionalized cyclic systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16310","16321","10.1039/c4dt02307b","","","0.71073","MoKα","","0.1712","0.1591","","","0.3167","0.3215","","","","","","1.164","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032269","18.316","0.002","18.316","0.002","18.316","0.002","90","","90","","90","","6144.6","1.2","88","2","88","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C24 H54 N6 Na O21 V6 -","- C24 H54 N6 Na O21.003 V6 -","- C96 H216 N24 Na4 O84.012 V24 -","4","0.333333","","Khan, M. Ishaque; Zheng, Y.; Li, H.; Swenson, L.; Basha, A.; Doedens, R. J.","Organo-functionalized metal-oxide clusters: synthesis and characterization of the reduced cationic species [NaV(IV)6O6{(OCH2CH2)2NH}6](+).","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16509","16514","10.1039/c4dt02174f","","","0.71073","MoKα","","0.0484","0.0439","","","0.138","0.1408","","","","","","1.125","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7032270","9.7624","0.0004","13.2901","0.0004","18.1845","0.0004","90","","104.391","0.003","90","","2285.29","0.13","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Br N2 O -","- C26 H27 Br N2 O -","- C104 H108 Br4 N8 O4 -","4","1","","Arnold, Polly L.; Bell, Nicola L.; Marr, Isobel H.; She, Siyi; Hamilton, Jonathan; Fraser, Craig; Wang, Kai","Protonolysis and thermolysis reactions of functionalised NHC-carbene boranes and borates.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15419","15428","10.1039/c4dt01464b","","","0.71073","MoKα","","0.0795","0.0456","","","0.091","0.1047","","","","","","1.019","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032271","10.079","0.0007","13.6684","0.0007","15.3802","0.0006","90","","92.472","0.005","90","","2116.9","0.2","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H39 B N2 O -","- C19 H39 B N2 O -","- C76 H156 B4 N8 O4 -","4","1","","Arnold, Polly L.; Bell, Nicola L.; Marr, Isobel H.; She, Siyi; Hamilton, Jonathan; Fraser, Craig; Wang, Kai","Protonolysis and thermolysis reactions of functionalised NHC-carbene boranes and borates.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15419","15428","10.1039/c4dt01464b","","","0.7107","MoKα","","0.1412","0.0873","","","0.2345","0.3115","","","","","","1.031","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032272","11.7096","0.0006","15.6144","0.0009","22.0422","0.0018","85.313","0.006","86.194","0.006","68.487","0.005","3734","0.4","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.5 H55 B N2 O -","- C42.4035 H54.7105 B N2 O -","- C169.614 H218.842 B4 N8 O4 -","4","2","","Arnold, Polly L.; Bell, Nicola L.; Marr, Isobel H.; She, Siyi; Hamilton, Jonathan; Fraser, Craig; Wang, Kai","Protonolysis and thermolysis reactions of functionalised NHC-carbene boranes and borates.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15419","15428","10.1039/c4dt01464b","","","0.71073","MoKα","","0.1541","0.0794","","","0.1693","0.1958","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032273","9.9318","0.0003","27.3125","0.001","10.7984","0.0003","90","","100.301","0.003","90","","2881.99","0.16","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 B N2 O2 -","- C30 H37 B N2 O -","- C120 H148 B4 N8 O4 -","4","1","","Arnold, Polly L.; Bell, Nicola L.; Marr, Isobel H.; She, Siyi; Hamilton, Jonathan; Fraser, Craig; Wang, Kai","Protonolysis and thermolysis reactions of functionalised NHC-carbene boranes and borates.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15419","15428","10.1039/c4dt01464b","","","0.71073","MoKα","","0.0973","0.0669","","","0.1615","0.1775","","","","","","1.052","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032274","12.9028","0.0005","11.8814","0.0004","12.6969","0.0003","90","","104","0.003","90","","1888.66","0.11","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H33 B N2 O -","- C17 H33 B N2 O -","- C68 H132 B4 N8 O4 -","4","1","","Arnold, Polly L.; Bell, Nicola L.; Marr, Isobel H.; She, Siyi; Hamilton, Jonathan; Fraser, Craig; Wang, Kai","Protonolysis and thermolysis reactions of functionalised NHC-carbene boranes and borates.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15419","15428","10.1039/c4dt01464b","","","0.71073","MoKα","","0.0884","0.058","","","0.1269","0.1427","","","","","","1.018","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032275","10.795","0.0004","10.2921","0.0004","13.4612","0.0004","90","","97.67","0.003","90","","1482.2","0.09","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H27 B N2 -","- C13 H27 B N2 -","- C52 H108 B4 N8 -","4","1","","Arnold, Polly L.; Bell, Nicola L.; Marr, Isobel H.; She, Siyi; Hamilton, Jonathan; Fraser, Craig; Wang, Kai","Protonolysis and thermolysis reactions of functionalised NHC-carbene boranes and borates.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15419","15428","10.1039/c4dt01464b","","","0.71073","MoKα","","0.0827","0.056","","","0.12","0.133","","","","","","1.02","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032276","9.234","0.0019","11.811","0.003","12.577","0.003","69.63","0.02","70.562","0.019","76.389","0.019","1201.5","0.5","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H41 B N2 O -","- C24 H41 B N2 O -","- C48 H82 B2 N4 O2 -","2","1","","Arnold, Polly L.; Bell, Nicola L.; Marr, Isobel H.; She, Siyi; Hamilton, Jonathan; Fraser, Craig; Wang, Kai","Protonolysis and thermolysis reactions of functionalised NHC-carbene boranes and borates.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15419","15428","10.1039/c4dt01464b","","","0.71073","MoKα","","0.1656","0.102","","","0.2788","0.3345","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032277","8.172","0.0004","8.6088","0.0003","20.051","0.0008","81.502","0.003","84.547","0.004","68.047","0.004","1292.75","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 B N2 O -","- C30 H39 B N2 O -","- C60 H78 B2 N4 O2 -","2","1","","Arnold, Polly L.; Bell, Nicola L.; Marr, Isobel H.; She, Siyi; Hamilton, Jonathan; Fraser, Craig; Wang, Kai","Protonolysis and thermolysis reactions of functionalised NHC-carbene boranes and borates.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15419","15428","10.1039/c4dt01464b","","","0.71073","MoKα","","0.1111","0.0892","","","0.2534","0.274","","","","","","0.986","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032278","9.941","0.002","13.345","0.003","31.565","0.007","90","","90","","90","","4187.5","1.6","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37.74 H38.12 F12 N7.37 P2 Ru -","- C37.744 H38.116 F12 N7.372 P2 Ru -","- C150.976 H152.464 F48 N29.488 P8 Ru4 -","4","1","","Chen, Yongjie; Lei, Wanhua; Jiang, Guoyu; Hou, Yuanjun; Li, Chao; Zhang, Baowen; Zhou, Qianxiong; Wang, Xuesong","Fusion of photodynamic therapy and photoactivated chemotherapy: a novel Ru(ii) arene complex with dual activities of photobinding and photocleavage toward DNA.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15375","15384","10.1039/c4dt01755b","","","0.71073","MoKα","","0.0842","0.0772","","","0.191","0.1996","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7032279","10.9128","0.0013","11.3143","0.0014","12.9693","0.0017","111.731","0.006","102.508","0.006","90.475","0.006","1445.3","0.3","147","2","147","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H56 Cl2 F12 N6 O6 Ru2 S2 -","- C56 H56 Cl2 F12 N6 O6 Ru2 S2 -","- C56 H56 Cl2 F12 N6 O6 Ru2 S2 -","1","0.5","","Bagh, Bidraha; Stephan, Douglas W.","Half sandwich ruthenium(ii) hydrides: hydrogenation of terminal, internal, cyclic and functionalized olefins.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15638","15645","10.1039/c4dt02407a","","","1.54178","CuKα","","0.035","0.0324","","","0.0813","0.0832","","","","","","1.029","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032280","16.779","0.004","10.771","0.002","14.126","0.003","90","","113.246","0.007","90","","2345.7","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cl N3 Ru -","- C26 H30 Cl N3 Ru -","- C104 H120 Cl4 N12 Ru4 -","4","1","","Bagh, Bidraha; Stephan, Douglas W.","Half sandwich ruthenium(ii) hydrides: hydrogenation of terminal, internal, cyclic and functionalized olefins.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15638","15645","10.1039/c4dt02407a","","","0.71073","MoKα","","0.0738","0.0444","","","0.0859","0.0958","","","","","","1.036","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032281","8.838","0.003","11.366","0.004","13.81","0.005","70.735","0.015","71.344","0.013","70.709","0.016","1200.9","0.7","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H19.5 F6 N6 O3.25 P Ru -","- C18 H19 F6 N6 O3.25 P Ru -","- C36 H38 F12 N12 O6.5 P2 Ru2 -","2","1","","Nagao, Hirotaka; Shimura, Naoto; Yonezawa, Haruka","Formation of bis(2-pyridylcarbonyl)aminate by oxidation of ethylbis(2-pyridylmethyl)amine on the trichloridoruthenium(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15391","15397","10.1039/c4dt01842g","","","0.7107","MoKα","","","0.0212","","","","0.0538","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032282","8.554","0.003","10.187","0.003","11.19","0.003","73.047","0.007","89.624","0.01","85.182","0.009","929.3","0.5","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cl2 N5 O2 Ru -","- C16 H14 Cl2 N5 O2 Ru -","- C32 H28 Cl4 N10 O4 Ru2 -","2","1","","Nagao, Hirotaka; Shimura, Naoto; Yonezawa, Haruka","Formation of bis(2-pyridylcarbonyl)aminate by oxidation of ethylbis(2-pyridylmethyl)amine on the trichloridoruthenium(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15391","15397","10.1039/c4dt01842g","","","0.71075","MoKα","","","0.0218","","","","0.0519","","","","","","1.064","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032283","10.139","0.004","8.711","0.004","21.25","0.008","90","","96.7949","0.0015","90","","1863.6","1.3","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Cl3 N3 O6.5 Ru -","- C12 H8 Cl3 N3 O6.5 Ru -","- C48 H32 Cl12 N12 O26 Ru4 -","4","1","","Nagao, Hirotaka; Shimura, Naoto; Yonezawa, Haruka","Formation of bis(2-pyridylcarbonyl)aminate by oxidation of ethylbis(2-pyridylmethyl)amine on the trichloridoruthenium(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15391","15397","10.1039/c4dt01842g","","","0.7107","MoKα","","","0.0352","","","","0.0794","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032476","19.197","0.003","14.403","0.002","39.795","0.006","90","","91.688","0.004","90","","10998","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N4 P2 Pd -","- C34 H28 N4 P2 Pd -","- C408 H336 N48 P24 Pd12 -","12","1.5","","Pratihar, Sanjay; Pegu, Rupa; Guha, Ankur Kanti; Sarma, Bipul","Pd(ii) coordinated deprotonated diphenyl phosphino amino pyridine: reactivity towards solvent, base, and acid.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17136","17144","10.1039/c4dt01665c","","","0.71073","MoKα","","0.0935","0.0687","","","0.1743","0.1838","","","","","","1.064","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032477","11.1221","0.0002","20.2361","0.0004","22.0997","0.0004","90","","106.545","0.001","90","","4767.99","0.16","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 Cl8 N4 P2 Pd Sn2 -","- C40 H46 Cl8 N4 P2 Pd Sn2 -","- C160 H184 Cl32 N16 P8 Pd4 Sn8 -","4","1","","Pratihar, Sanjay; Pegu, Rupa; Guha, Ankur Kanti; Sarma, Bipul","Pd(ii) coordinated deprotonated diphenyl phosphino amino pyridine: reactivity towards solvent, base, and acid.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17136","17144","10.1039/c4dt01665c","","","0.71073","MoKα","","0.051","0.0366","","","0.0803","0.0864","","","","","","1.021","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032478","9.5697","0.0007","18.808","0.0013","11.8032","0.0009","90","","107.039","0.002","90","","2031.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(Tetraethylammonium) tetrakis(μ~3~-salicylhydroximato-N,O,O,O',O'')-penta-copper(ii)","","- C40 H48 Cu5 N6 O12 -","- C40 H48 Cu5 N6 O12 -","- C80 H96 Cu10 N12 O24 -","2","0.5","","Happ, Peter; Rentschler, Eva","Enforcement of a high-spin ground state for the first 3d heterometallic 12-metallacrown-4 complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15308","15312","10.1039/c4dt02275k","","","0.71073","MoKα","","0.0476","0.0343","","","0.0758","0.0795","","","","","","1.021","","","","has coordinates,has disorder","180030","2020-10-21","18:00:00",""
"7032479","11.751","0.0005","12.8013","0.0005","12.8605","0.0005","96.926","0.001","111.413","0.001","110.276","0.001","1620.39","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Tetrakis(μ~3~-salicylhydroximato-N,O,O,O',O'')-dichloro- hexakis(dimethylformamide-O)-copper(ii)-tetra-iron(iii) dimethylformamide solvate","","- C52 H72 Cl2 Cu Fe4 N12 O20 -","- C52 H72 Cl2 Cu Fe4 N12 O20 -","- C52 H72 Cl2 Cu Fe4 N12 O20 -","1","0.5","","Happ, Peter; Rentschler, Eva","Enforcement of a high-spin ground state for the first 3d heterometallic 12-metallacrown-4 complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15308","15312","10.1039/c4dt02275k","","","0.71073","MoKα","","0.0444","0.03","","","0.0735","0.0779","","","","","","0.963","","","","has coordinates,has disorder","180030","2020-10-21","18:00:00",""
"7032480","12.546","0.002","9.281","0.002","16.95","0.003","90","","93.85","0.02","90","","1969.2","0.6","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C34 H66 Cu2 N4 O6 S -","- C34 H66 Cu2 N4 O6 S -","- C68 H132 Cu4 N8 O12 S2 -","2","0.5","","Matussek, Julia; Herbst-Irmer, Regine; Objartel, Ina; Stalke, Dietmar","Transition metal complexes containing the S(NtBu)4(2-) tetraimidosulfate dianion.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15944","15949","10.1039/c4dt01995d","","","0.71073","MoKα","","0.0367","0.027","","","0.0641","0.0673","","","","","","1.045","","","","has coordinates,has disorder","180030","2020-10-21","18:00:00",""
"7032481","15.428","0.002","22.442","0.003","20.869","0.002","90","","103.56","0.02","90","","7024.2","1.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H108 Cd2 I4 Li2 N4 O9 S -","- C52 H108 Cd2 I4 Li2 N4 O9 S -","- C208 H432 Cd8 I16 Li8 N16 O36 S4 -","4","1","","Matussek, Julia; Herbst-Irmer, Regine; Objartel, Ina; Stalke, Dietmar","Transition metal complexes containing the S(NtBu)4(2-) tetraimidosulfate dianion.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15944","15949","10.1039/c4dt01995d","","","0.71073","MoKα","","0.0724","0.051","","","0.109","0.1226","","","","","","1.062","","","","has coordinates,has disorder","180030","2020-10-21","18:00:00",""
"7032482","15.507","0.003","15.39","0.003","18.081","0.003","90","","113.09","0.01","90","","3969.4","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H70 Li N5 O2 S Si2 Zn -","- C30 H70 Li N5 O2 S Si2 Zn -","- C120 H280 Li4 N20 O8 S4 Si8 Zn4 -","4","0.5","","Matussek, Julia; Herbst-Irmer, Regine; Objartel, Ina; Stalke, Dietmar","Transition metal complexes containing the S(NtBu)4(2-) tetraimidosulfate dianion.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15944","15949","10.1039/c4dt01995d","","","0.71073","MoKα","","0.0438","0.0308","","","0.0742","0.0797","","","","","","1.053","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032483","10.454","0.005","10.739","0.005","13.686","0.007","99.384","0.006","99.642","0.006","94.786","0.006","1484.8","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Mn N2 O10 -","- C32 H24 Mn N2 O10 -","- C64 H48 Mn2 N4 O20 -","2","1","","Han, Min-Le; Duan, Ya-Ping; Li, Dong-Sheng; Xu, Guo-Wang; Wu, Ya-Pan; Zhao, Jun","A series of divalent metal coordination polymers based on isomeric tetracarboxylic acids: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17519","17527","10.1039/c4dt01946f","","","0.71073","MoKα","","0.0637","0.0473","","","0.1263","0.1435","","","","","","1.08","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032484","28.966","0.004","7.6922","0.0007","24.702","0.003","90","","107.507","0.006","90","","5249","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 Co N3 O10.5 -","- C26 H23 Co N3 O10.5 -","- C208 H184 Co8 N24 O84 -","8","1","","Han, Min-Le; Duan, Ya-Ping; Li, Dong-Sheng; Xu, Guo-Wang; Wu, Ya-Pan; Zhao, Jun","A series of divalent metal coordination polymers based on isomeric tetracarboxylic acids: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17519","17527","10.1039/c4dt01946f","","","0.71073","MoKα","","0.0769","0.0543","","","0.1416","0.1623","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032485","28.55","0.002","7.7222","0.0007","24.645","0.002","90","","106.196","0.019","90","","5217.8","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 Co N2 O10 -","- C27 H23 Co N2 O10 -","- C216 H184 Co8 N16 O80 -","8","1","","Han, Min-Le; Duan, Ya-Ping; Li, Dong-Sheng; Xu, Guo-Wang; Wu, Ya-Pan; Zhao, Jun","A series of divalent metal coordination polymers based on isomeric tetracarboxylic acids: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17519","17527","10.1039/c4dt01946f","","","0.71073","MoKα","","0.0578","0.0443","","","0.1014","0.1106","","","","","","1.076","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032486","14.444","0.008","6.526","0.004","23.959","0.013","90","","97.852","0.007","90","","2237","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Co2 O13 -","- C22 H20 Co2 O13 -","- C88 H80 Co8 O52 -","4","1","","Han, Min-Le; Duan, Ya-Ping; Li, Dong-Sheng; Xu, Guo-Wang; Wu, Ya-Pan; Zhao, Jun","A series of divalent metal coordination polymers based on isomeric tetracarboxylic acids: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17519","17527","10.1039/c4dt01946f","","","0.71073","MoKα","","0.0497","0.0387","","","0.1011","0.108","","","","","","1.03","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032487","15.896","0.007","7.823","0.003","23.21","0.01","90","","92.895","0.007","90","","2883","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 N3 Ni2 O11 -","- C32 H25 N3 Ni2 O11 -","- C128 H100 N12 Ni8 O44 -","4","1","","Han, Min-Le; Duan, Ya-Ping; Li, Dong-Sheng; Xu, Guo-Wang; Wu, Ya-Pan; Zhao, Jun","A series of divalent metal coordination polymers based on isomeric tetracarboxylic acids: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17519","17527","10.1039/c4dt01946f","","","0.71073","MoKα","","0.0504","0.0446","","","0.1273","0.1325","","","","","","1.066","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032488","8.8755","0.0002","12.2474","0.0002","13.0612","0.0002","63.607","0.001","70.892","0.001","75.513","0.001","1192.5","0.04","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C15 H30 N2 Pb Se Si2 -","- C15 H30 N2 Pb Se Si2 -","- C30 H60 N4 Pb2 Se2 Si4 -","2","1","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.0304","0.027","","","0.0803","0.0813","","","","","","1.139","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032489","8.8858","0.0004","12.1481","0.0006","12.9552","0.0006","63.644","0.001","71.551","0.002","75.792","0.002","1179.59","0.1","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C15 H30 N2 Pb S Si2 -","- C15 H30 N2 Pb S Si2 -","- C30 H60 N4 Pb2 S2 Si4 -","2","1","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.0403","0.036","","","0.1217","0.1244","","","","","","1.033","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032490","8.7208","0.0004","17.4865","0.0009","21.7958","0.0009","90","","98.565","0.002","90","","3286.7","0.3","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H46 N2 Se2 Si4 Sn -","- C24 H46 N2 Se2 Si4 Sn -","- C96 H184 N8 Se8 Si16 Sn4 -","4","0.5","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.0464","0.0331","","","0.0668","0.0708","","","","","","1.057","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032491","10.431","0.005","10.948","0.002","11.369","0.004","100.052","0.013","100.25","0.02","94.638","0.017","1249.6","0.8","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C38 H76 N4 O2 Se2 Si4 Sn2 -","- C38 H76 N4 O2 Se2 Si4 Sn2 -","- C38 H76 N4 O2 Se2 Si4 Sn2 -","1","0.5","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.0839","0.0631","","","0.1598","0.1766","","","","","","1.023","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032492","8.9518","0.0009","10.679","0.0011","13.8023","0.0015","101.636","0.005","104.069","0.005","93.483","0.005","1245.2","0.2","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C38 H76 N4 O2 S2 Si4 Sn2 -","- C38 H76 N4 O2 S2 Si4 Sn2 -","- C38 H76 N4 O2 S2 Si4 Sn2 -","1","0.5","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.0531","0.0507","","","0.1481","0.1493","","","","","","1.193","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032493","8.9533","0.0003","10.7807","0.0004","13.9822","0.0005","101.884","0.001","103.315","0.001","93.615","0.001","1276.49","0.08","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C19 H38 N2 O Pb Se Si2 -","- C19 H38 N2 O Pb Se Si2 -","- C38 H76 N4 O2 Pb2 Se2 Si4 -","2","1","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.0312","0.0237","","","0.0433","0.0454","","","","","","1.027","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032494","8.9509","0.0003","10.6875","0.0004","13.9731","0.0005","102.171","0.001","103.79","0.002","93.813","0.001","1259.36","0.08","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C38 H76 N4 O2 Pb2 S2 Si4 -","- C38 H76 N4 O2 Pb2 S2 Si4 -","- C38 H76 N4 O2 Pb2 S2 Si4 -","1","0.5","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.0206","0.0185","","","0.0424","0.0432","","","","","","1.042","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032495","15.6263","0.0011","8.4904","0.0004","21.1602","0.0011","90","","107.158","0.003","90","","2682.5","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H76 N4 O2 S2 Si4 Sn2 -","- C44 H76 N4 O2 S2 Si4 Sn2 -","- C88 H152 N8 O4 S4 Si8 Sn4 -","2","0.5","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.0577","0.0394","","","0.0693","0.0754","","","","","","1.028","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032496","13.0728","0.0005","11.7745","0.0004","17.6806","0.0005","90","","99.503","0.001","90","","2684.15","0.16","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 N2 O Pb S Si2 -","- C22 H38 N2 O Pb S Si2 -","- C88 H152 N8 O4 Pb4 S4 Si8 -","4","1","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.0321","0.0233","","","0.0493","0.0515","","","","","","1.044","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032497","9.9934","0.0002","11.6181","0.0002","15.2377","0.0003","72.284","0.0006","82.4962","0.0007","67.4339","0.0007","1556.04","0.05","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C26 H28 F12 N2 O2 Se2 Sn -","- C26 H28 F12 N2 O2 Se2 Sn -","- C52 H56 F24 N4 O4 Se4 Sn2 -","2","1","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.0269","0.0212","","","0.0455","0.0477","","","","","","1.02","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032498","10.0061","0.0003","11.5976","0.0003","15.2067","0.0004","72.148","0.001","83.047","0.001","67.789","0.001","1555.06","0.08","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C26 H28 F12 N2 O2 Pb Se2 -","- C26 H28 F12 N2 O2 Pb Se2 -","- C52 H56 F24 N4 O4 Pb2 Se4 -","2","1","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.0325","0.0265","","","0.053","0.0546","","","","","","1.024","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032499","11.9038","0.0006","14.3044","0.0007","32.5897","0.0018","90","","90.138","0.002","90","","5549.3","0.5","150","2","150","2","","","","","","","synthesis as described","9","P 1 21 1","P 2yb","4","","","","- C105 H58 B4 Cl14 F60 N4 O2 Pb2 Se2 -","- C98 H44 B4 F60 N4 O2 Pb2 Se2 -","- C196 H88 B8 F120 N8 O4 Pb4 Se4 -","2","1","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.0673","0.0604","","","0.1561","0.1612","","","","","","1.021","","","","has coordinates","180030","2020-10-21","18:00:00",""
"7032500","8.9113","0.0004","11.4671","0.0004","17.4235","0.0006","97.643","0.001","94.825","0.002","112.152","0.001","1616.8","0.11","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H46 Ge N2 Se2 Si4 -","- C24 H46 Ge N2 Se2 Si4 -","- C48 H92 Ge2 N4 Se4 Si8 -","2","1","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.0553","0.0404","","","0.0913","0.0961","","","","","","1.033","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032501","8.6866","0.0002","17.9348","0.0004","21.2488","0.0005","90","","98.1587","0.0009","90","","3276.9","0.13","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H46 Ge N2 Si4 Te2 -","- C24 H46 Ge N2 Si4 Te2 -","- C96 H184 Ge4 N8 Si16 Te8 -","4","0.5","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.0269","0.0226","","","0.058","0.0598","","","","","","1.071","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032502","16.5296","0.0006","15.9662","0.0006","20.974","0.0007","90","","105.703","0.001","90","","5328.8","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H24 B2 F30 N2 O Se -","- C49 H24 B2 F30 N2 O Se -","- C196 H96 B8 F120 N8 O4 Se4 -","4","1","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.1592","0.0646","","","0.138","0.167","","","","","","0.886","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032503","8.7218","0.0003","17.9841","0.0005","21.6618","0.0006","90","","98.719","0.001","90","","3358.47","0.18","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H46 N2 Si4 Sn Te2 -","- C24 H46 N2 Si4 Sn Te2 -","- C96 H184 N8 Si16 Sn4 Te8 -","4","0.5","","Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann","On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16459","16474","10.1039/c4dt02252a","","x-ray","0.71073","MoKα","","0.0273","0.0231","","","0.0516","0.0529","","","","","","1.111","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032504","7.173","0.002","9.475","0.003","18.023","0.005","100.66","0.005","98.4","0.004","102.954","0.005","1150.4","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","cis-2a","","- C20 H18 O6 Re2 Si2 -","- C20 H18 O6 Re2 Si2 -","- C40 H36 O12 Re4 Si4 -","2","1","","Zhu, Bolin; Huang, Xinwei; Hao, Xiaoting","Synthesis and structures of doubly-bridged dicyclopentadienyl dinuclear rhenium complexes, and their photochemical reactions with aromatic halides in benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16726","16736","10.1039/c4dt02370f","","","0.71073","MoKα","","0.0712","0.0599","","","0.1608","0.1664","","","","","","1.086","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032505","13.595","0.004","14.692","0.004","11.089","0.003","90","","90.314","0.004","90","","2214.9","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-2b","","- C21 H18 O6 Re2 Si -","- C21 H18 O6 Re2 Si -","- C84 H72 O24 Re8 Si4 -","4","1","","Zhu, Bolin; Huang, Xinwei; Hao, Xiaoting","Synthesis and structures of doubly-bridged dicyclopentadienyl dinuclear rhenium complexes, and their photochemical reactions with aromatic halides in benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16726","16736","10.1039/c4dt02370f","","","0.71073","MoKα","","0.0328","0.0284","","","0.0661","0.0678","","","","","","1.042","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7032506","10.1782","0.0006","16.3962","0.001","13.1427","0.0008","90","","95.524","0.001","90","","2183.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-2b","","- C21 H18 O6 Re2 Si -","- C21 H18 O6 Re2 Si -","- C84 H72 O24 Re8 Si4 -","4","1","","Zhu, Bolin; Huang, Xinwei; Hao, Xiaoting","Synthesis and structures of doubly-bridged dicyclopentadienyl dinuclear rhenium complexes, and their photochemical reactions with aromatic halides in benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16726","16736","10.1039/c4dt02370f","","","0.71073","MoKα","","0.0306","0.028","","","0.0684","0.0703","","","","","","1.031","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032507","7.9128","0.0007","11.5018","0.001","12.3133","0.001","63.258","0.001","73.735","0.001","74.924","0.001","948.91","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3b","","- C19 H14 O6 Re2 -","- C19 H14 O6 Re2 -","- C38 H28 O12 Re4 -","2","1","","Zhu, Bolin; Huang, Xinwei; Hao, Xiaoting","Synthesis and structures of doubly-bridged dicyclopentadienyl dinuclear rhenium complexes, and their photochemical reactions with aromatic halides in benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16726","16736","10.1039/c4dt02370f","","","0.71073","MoKα","","0.023","0.0196","","","0.049","0.0507","","","","","","1.048","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7032508","13.0866","0.0014","14.1531","0.0016","13.5893","0.0015","90","","113.256","0.002","90","","2312.5","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6","","- C20 H18 Br2 O5 Re2 Si -","- C20 H18 Br2 O5 Re2 Si -","- C80 H72 Br8 O20 Re8 Si4 -","4","1","","Zhu, Bolin; Huang, Xinwei; Hao, Xiaoting","Synthesis and structures of doubly-bridged dicyclopentadienyl dinuclear rhenium complexes, and their photochemical reactions with aromatic halides in benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16726","16736","10.1039/c4dt02370f","","","0.71073","MoKα","","0.0483","0.0437","","","0.096","0.098","","","","","","1.164","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032509","13.3579","0.001","14.0354","0.001","13.3278","0.0009","90","","112.967","0.001","90","","2300.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","8","","- C19 H18 Cl2 O5 Re2 Si2 -","- C19 H18 Cl2 O5 Re2 Si2 -","- C76 H72 Cl8 O20 Re8 Si8 -","4","1","","Zhu, Bolin; Huang, Xinwei; Hao, Xiaoting","Synthesis and structures of doubly-bridged dicyclopentadienyl dinuclear rhenium complexes, and their photochemical reactions with aromatic halides in benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16726","16736","10.1039/c4dt02370f","","","0.71073","MoKα","","0.0229","0.0188","","","0.0387","0.0403","","","","","","1.017","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032510","9.7003","0.0007","14.5407","0.001","17.3766","0.0012","95.709","0.001","91.872","0.001","93.112","0.001","2433.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","7","","- C19 H18 Br4 O4 Re2 Si -","- C19 H18 Br4 O4 Re2 Si -","- C76 H72 Br16 O16 Re8 Si4 -","4","2","","Zhu, Bolin; Huang, Xinwei; Hao, Xiaoting","Synthesis and structures of doubly-bridged dicyclopentadienyl dinuclear rhenium complexes, and their photochemical reactions with aromatic halides in benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16726","16736","10.1039/c4dt02370f","","","0.71073","MoKα","","0.0427","0.0351","","","0.0816","0.0857","","","","","","1.018","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032511","13.548","0.003","14.211","0.003","13.564","0.003","90","","113.388","0.004","90","","2396.9","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","11","","- C76 H72 Br2.8 Cl5.2 O20 Re8 Si8 -","- C76 H72 Br2.8 Cl5.2 O20 Re8 Si8 -","- C76 H72 Br2.8 Cl5.2 O20 Re8 Si8 -","1","0.25","","Zhu, Bolin; Huang, Xinwei; Hao, Xiaoting","Synthesis and structures of doubly-bridged dicyclopentadienyl dinuclear rhenium complexes, and their photochemical reactions with aromatic halides in benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16726","16736","10.1039/c4dt02370f","","","0.71073","MoKα","","0.0466","0.0371","","","0.0919","0.0979","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032512","8.4162","0.0014","12.443","0.002","16.137","0.003","77.437","0.003","78.046","0.003","78.139","0.003","1590.7","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","12","","- C26 H20 Cl2 F6 O5 Re2 Si2 -","- C26 H20 Cl2 F6 O5 Re2 Si2 -","- C52 H40 Cl4 F12 O10 Re4 Si4 -","2","1","","Zhu, Bolin; Huang, Xinwei; Hao, Xiaoting","Synthesis and structures of doubly-bridged dicyclopentadienyl dinuclear rhenium complexes, and their photochemical reactions with aromatic halides in benzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16726","16736","10.1039/c4dt02370f","","","0.71073","MoKα","","0.0711","0.0525","","","0.125","0.1349","","","","","","1.058","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7032513","14.3193","0.0007","15.3989","0.0008","23.2615","0.0011","93.138","0.004","106.589","0.004","90.129","0.004","4907.5","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H45 B F20 O P2 Pt -","- C49 H45 B F20 O P2 Pt -","- C196 H180 B4 F80 O4 P8 Pt4 -","4","2","","Forrest, Sebastian J. K.; Pringle, Paul G.; Sparkes, Hazel A.; Wass, Duncan F.","Reversible CO exchange at platinum(0). An example of similar complex properties produced by ligands with very different stereoelectronic characteristics.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16335","16344","10.1039/c4dt02303j","","","0.71073","MoKα","","0.1799","0.0789","","","0.149","0.1877","","","","","","0.982","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032514","10.8208","0.0003","16.1524","0.0004","17.4648","0.0003","96.295","0.002","94.289","0.001","93.976","0.001","3016.36","0.12","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C60 H76 Ca2 N8 -","- C60 H76 Ca2 N8 -","- C120 H152 Ca4 N16 -","2","1","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Lomas, Sarah L.; Heng, Myra Sae; Hitchcock, Peter B.; Kociok-Köhn, Gabriele","Catalytic hydroacetylenation of carbodiimides with homoleptic alkaline earth hexamethyldisilazides.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14249","14256","10.1039/c3dt53542h","","x-ray","0.71073","MoKα","","0.1012","0.0716","","","0.1857","0.2077","","","","","","0.989","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032515","12.9424","0.0002","19.6115","0.0004","11.7596","0.0003","90","","98.832","0.001","90","","2949.43","0.11","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H76 N8 Sr2 -","- C60 H76 N8 Sr2 -","- C120 H152 N16 Sr4 -","2","0.5","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Lomas, Sarah L.; Heng, Myra Sae; Hitchcock, Peter B.; Kociok-Köhn, Gabriele","Catalytic hydroacetylenation of carbodiimides with homoleptic alkaline earth hexamethyldisilazides.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14249","14256","10.1039/c3dt53542h","","x-ray","0.71073","MoKα","","0.0496","0.0348","","","0.0749","0.0807","","","","","","1.038","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032516","22.537","0.0002","12.9239","0.0001","25.3579","0.0003","90","","115.478","0.0004","90","","6667.62","0.11","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C39 H46 N2 -","- C39 H46 N2 -","- C312 H368 N16 -","8","1","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Lomas, Sarah L.; Heng, Myra Sae; Hitchcock, Peter B.; Kociok-Köhn, Gabriele","Catalytic hydroacetylenation of carbodiimides with homoleptic alkaline earth hexamethyldisilazides.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14249","14256","10.1039/c3dt53542h","","","0.71073","MoKα","","0.0826","0.0645","","","0.1364","0.1473","","","","","","1.088","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032517","26.408","0.0003","16.424","0.0002","21.124","0.0003","90","","97.322","0.001","90","","9087.3","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H57 Ba K N6 -","- C45 H57 Ba K N6 -","- C360 H456 Ba8 K8 N48 -","8","1","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Lomas, Sarah L.; Heng, Myra Sae; Hitchcock, Peter B.; Kociok-Köhn, Gabriele","Catalytic hydroacetylenation of carbodiimides with homoleptic alkaline earth hexamethyldisilazides.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14249","14256","10.1039/c3dt53542h","","","0.71073","MoKα","","0.0799","0.0384","","","0.0675","0.0788","","","","","","1.029","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032523","17.9123","0.0012","20.9333","0.0013","13.3253","0.0009","90","","90","","90","","4996.5","0.6","296","2","296","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C0 H27 Ag K3 N0 O51 P W11 -","- Ag K3 O51 P W11 -","- Ag4 K12 O204 P4 W44 -","4","1","","Cui, Ying; Shi, Lei; Yang, Yanyi; You, Wansheng; Zhang, Lancui; Zhu, Zaiming; Liu, Meiying; Sun, Licheng","Catalytic water oxidation based on Ag(i)-substituted Keggin polyoxotungstophosphate.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17406","17415","10.1039/c4dt01538j","","","0.71073","MoKα","","0.0498","0.0371","","","0.0962","0.1034","","","","","","1.11","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032524","28.805","0.011","10.739","0.004","27.103","0.006","90","","109.63","0.02","90","","7897","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C144 H116 Cl8 Cu12 N24 O18 -","- C144 H112 Cl8 Cu12 N24 O18 -","- C288 H224 Cl16 Cu24 N48 O36 -","2","0.25","","Speed, Saskia; Font-Bardía, Mercè; El Fallah, M. Salah; Vicente, Ramon","Four new trinuclear {Cu3(μ3-OH)(oximate)3}(2+) clusters: crystal structure and magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16919","16927","10.1039/c4dt02215g","","","0.71073","MoKα","","0.0857","0.0577","","","0.1495","0.1653","","","","","","1.072","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032525","12.4303","0.0004","13.4622","0.0005","15.728","0.0008","108.861","0.003","96.972","0.003","113.633","0.002","2184.01","0.18","100","0.1","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H43 Cl Cu3 N9 O11 P -","- C37 H39 Cl Cu3 N9 O11 P -","- C74 H78 Cl2 Cu6 N18 O22 P2 -","2","1","","Speed, Saskia; Font-Bardía, Mercè; El Fallah, M. Salah; Vicente, Ramon","Four new trinuclear {Cu3(μ3-OH)(oximate)3}(2+) clusters: crystal structure and magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16919","16927","10.1039/c4dt02215g","","","0.71073","MoKα","","0.0826","0.0489","","","0.1108","0.1275","","","","","","1.026","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032526","12.302","0.003","13.355","0.003","15.779","0.005","109.133","0.004","95.518","0.004","113.774","0.003","2161.8","1","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C74 H84 Br2 Cu6 N18 O21 P2 -","- C74 H74 Br2 Cu6 N18 O21 P2 -","- C74 H74 Br2 Cu6 N18 O21 P2 -","1","0.5","","Speed, Saskia; Font-Bardía, Mercè; El Fallah, M. Salah; Vicente, Ramon","Four new trinuclear {Cu3(μ3-OH)(oximate)3}(2+) clusters: crystal structure and magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16919","16927","10.1039/c4dt02215g","","","0.71073","MoKα","","0.0723","0.0418","","","0.1014","0.1156","","","","","","1","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032527","34.556","0.013","12.953","0.005","23.542","0.004","90","","104.03","0.02","90","","10223","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C170 H192 Br4 Cu12 N24 O38 P4 -","- C170 H181 Br4 Cu12 N24 O38 P4 -","- C340 H362 Br8 Cu24 N48 O76 P8 -","2","0.25","","Speed, Saskia; Font-Bardía, Mercè; El Fallah, M. Salah; Vicente, Ramon","Four new trinuclear {Cu3(μ3-OH)(oximate)3}(2+) clusters: crystal structure and magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16919","16927","10.1039/c4dt02215g","","","0.71073","MoKα","","0.0873","0.0573","","","0.1652","0.1839","","","","","","1.063","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032528","17.1264","0.0008","18.2815","0.0008","27.4389","0.0011","90","","105.365","0.002","90","","8284","0.6","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H98 Cl Li N4 Si8 Sn -","- C60 H98 Cl Li N4 Si8 Sn -","- C240 H392 Cl4 Li4 N16 Si32 Sn4 -","4","0.5","","Klink, R.; Schrenk, C.; Schnepf, A.","Si(SiMe3)2SiPh3 - a ligand for novel sub-valent tin cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16097","16104","10.1039/c4dt02372b","","","0.71073","MoKα","","0.0916","0.0543","","","0.1259","0.1379","","","","","","1.033","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032529","17.0858","0.0012","18.5269","0.0012","24.0591","0.0015","75.208","0.002","89.665","0.002","70.392","0.002","6909.7","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C127.5 H167.5 Cl4 Si16 Sn4 -","- C127.5 H167.5 Cl4 Si16 Sn4 -","- C255 H335 Cl8 Si32 Sn8 -","2","1","","Klink, R.; Schrenk, C.; Schnepf, A.","Si(SiMe3)2SiPh3 - a ligand for novel sub-valent tin cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16097","16104","10.1039/c4dt02372b","","","0.71073","MoKα","","0.0919","0.052","","","0.1086","0.1275","","","","","","1.014","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032530","11.7102","0.0002","17.9702","0.0004","20.3053","0.0004","96.452","0.001","98.177","0.001","96.297","0.001","4168.27","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H57 K O6 Si4 -","- C36 H57 K O6 Si4 -","- C144 H228 K4 O24 Si16 -","4","2","","Klink, R.; Schrenk, C.; Schnepf, A.","Si(SiMe3)2SiPh3 - a ligand for novel sub-valent tin cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16097","16104","10.1039/c4dt02372b","","","0.71073","MoKα","","0.0849","0.0468","","","0.0964","0.112","","","","","","1.019","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032531","12.5556","0.0006","21.5357","0.0012","14.6869","0.0009","90","","95.444","0.003","90","","3953.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H57 Li O3 Si4 -","- C36 H57 Li O3 Si4 -","- C144 H228 Li4 O12 Si16 -","4","1","","Klink, R.; Schrenk, C.; Schnepf, A.","Si(SiMe3)2SiPh3 - a ligand for novel sub-valent tin cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16097","16104","10.1039/c4dt02372b","","","0.71073","MoKα","","0.158","0.0702","","","0.1579","0.1943","","","","","","1.019","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032532","13.1663","0.0007","19.2365","0.001","27.4977","0.0015","90","","91.834","0.002","90","","6960.9","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H90 Cl K O6 Si8 Sn -","- C60 H90 Cl K O6 Si8 Sn -","- C240 H360 Cl4 K4 O24 Si32 Sn4 -","4","1","","Klink, R.; Schrenk, C.; Schnepf, A.","Si(SiMe3)2SiPh3 - a ligand for novel sub-valent tin cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16097","16104","10.1039/c4dt02372b","","","0.71073","MoKα","","0.053","0.0383","","","0.0881","0.0947","","","","","","1.025","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032533","16.8986","0.0006","9.8453","0.0003","36.7537","0.0015","90","","91.496","0.001","90","","6112.7","0.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H42 Si5 -","- C27 H42 Si5 -","- C216 H336 Si40 -","8","1","","Klink, R.; Schrenk, C.; Schnepf, A.","Si(SiMe3)2SiPh3 - a ligand for novel sub-valent tin cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16097","16104","10.1039/c4dt02372b","","","0.71073","MoKα","","0.0663","0.0419","","","0.0824","0.0885","","","","","","0.932","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032534","10.221468","0.000067","10.221468","0.000067","10.221468","0.000067","90","","90","","90","","1067.92","0.012","300","","300","","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- Ba3.97 Eu0.13 Lu4 O48 P12 Sr7.92 -","- Ba3.96 Eu0.12 Lu4 O48 P12 Sr7.92 -","- Ba3.96 Eu0.12 Lu4 O48 P12 Sr7.92 -","1","0.0208333","","Wang, Ziyuan; Xia, Zhiguo; Molokeev, Maxim S.; Atuchin, Victor V.; Liu, QuanLin","Blue-shift of Eu(2+) emission in (Ba,Sr)3Lu(PO4)3:Eu(2+) eulytite solid-solution phosphors resulting from release of neighbouring-cation-induced stress.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16800","16804","10.1039/c4dt02319f","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.46","1.807","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7032535","10.460404","0.000081","10.460404","0.000081","10.460404","0.000081","90","","90","","90","","1144.58","0.015","300","","300","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ba2.97 Eu0.03 Lu O12 P3 -","- Ba2.97 Eu0.03 Lu O12 P3 -","- Ba11.88 Eu0.12 Lu4 O48 P12 -","4","0.0833333","","Wang, Ziyuan; Xia, Zhiguo; Molokeev, Maxim S.; Atuchin, Victor V.; Liu, QuanLin","Blue-shift of Eu(2+) emission in (Ba,Sr)3Lu(PO4)3:Eu(2+) eulytite solid-solution phosphors resulting from release of neighbouring-cation-induced stress.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16800","16804","10.1039/c4dt02319f","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.47","1.614","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7032536","10.34543","0.00016","10.34543","0.00016","10.34543","0.00016","90","","90","","90","","1107.25","0.03","300","","300","","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- Ba7.92 Eu0.13 Lu4 O48 P12 Sr3.97 -","- Ba7.92 Eu0.12 Lu4 O48 P12 Sr3.96 -","- Ba7.92 Eu0.12 Lu4 O48 P12 Sr3.96 -","1","0.0208333","","Wang, Ziyuan; Xia, Zhiguo; Molokeev, Maxim S.; Atuchin, Victor V.; Liu, QuanLin","Blue-shift of Eu(2+) emission in (Ba,Sr)3Lu(PO4)3:Eu(2+) eulytite solid-solution phosphors resulting from release of neighbouring-cation-induced stress.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16800","16804","10.1039/c4dt02319f","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.7","2.004","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7032537","10.090197","0.00006","10.090197","0.00006","10.090197","0.00006","90","","90","","90","","1027.3","0.011","300","","300","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Eu0.13 Lu4 O48 P12 Sr11.89 -","- Eu0.12 Lu4 O48 P12 Sr11.88 -","- Eu0.12 Lu4 O48 P12 Sr11.88 -","1","0.0208333","","Wang, Ziyuan; Xia, Zhiguo; Molokeev, Maxim S.; Atuchin, Victor V.; Liu, QuanLin","Blue-shift of Eu(2+) emission in (Ba,Sr)3Lu(PO4)3:Eu(2+) eulytite solid-solution phosphors resulting from release of neighbouring-cation-induced stress.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16800","16804","10.1039/c4dt02319f","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.69","1.945","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7032538","4.7416","0.0003","12.1325","0.0007","14.0001","0.0008","90","","95.107","0.002","90","","802.19","0.08","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","1,3-bis(3,5-dimethyl-1H-pyrazol-4-yl)benzene","","","- C17 H22 N4 O -","- C17 H22 N4 O -","- C34 H44 N8 O2 -","2","0.5","","Grzywa, Maciej; Geßner, Christof; Bredenkötter, Björn; Denysenko, Dmytro; van Leusen, Jan; Kögerler, Paul; Klemm, Elias; Volkmer, Dirk","Coordination frameworks assembled from Cu(II) ions and H2-1,3-bdpb ligands: X-ray and magneto structural investigations, and catalytic activity in the aerobic oxidation of tetralin.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16846","16856","10.1039/c4dt01880j","","","0.71073","MoKα","","0.0705","0.0521","","","0.0986","0.1049","","","","","","1.129","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032539","26.839","0.003","26.839","0.003","15.8317","0.0016","90","","90","","120","","9876.2","1.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H22 Cu2 N4 O2 -","- C18 H22 Cu2 N4 O2 -","- C324 H396 Cu36 N72 O36 -","18","1","","Grzywa, Maciej; Geßner, Christof; Bredenkötter, Björn; Denysenko, Dmytro; van Leusen, Jan; Kögerler, Paul; Klemm, Elias; Volkmer, Dirk","Coordination frameworks assembled from Cu(II) ions and H2-1,3-bdpb ligands: X-ray and magneto structural investigations, and catalytic activity in the aerobic oxidation of tetralin.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16846","16856","10.1039/c4dt01880j","","","0.71073","MoKα","","0.1167","0.0679","","","0.1361","0.1515","","","","","","1.036","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032540","6.1784","0.0008","12.9041","0.0017","19.866","0.003","90","","90","","90","","1583.9","0.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H18 Cl Cu N4 -","- C16 H18 Cl Cu N4 -","- C64 H72 Cl4 Cu4 N16 -","4","0.5","","Grzywa, Maciej; Geßner, Christof; Bredenkötter, Björn; Denysenko, Dmytro; van Leusen, Jan; Kögerler, Paul; Klemm, Elias; Volkmer, Dirk","Coordination frameworks assembled from Cu(II) ions and H2-1,3-bdpb ligands: X-ray and magneto structural investigations, and catalytic activity in the aerobic oxidation of tetralin.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16846","16856","10.1039/c4dt01880j","","","0.71073","MoKα","","0.053","0.044","","","0.1184","0.1243","","","","","","1.14","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032541","10.4228","0.0012","12.4496","0.0014","14.2131","0.001","103.621","0.008","93.468","0.008","96.219","0.009","1774.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 Dy N4 O7 -","- C39 H38 Dy N4 O7 -","- C78 H76 Dy2 N8 O14 -","2","1","","Chen, Gong-Jun; Zhou, Yang; Jin, Guo-Xia; Dong, Yu-Bin","[Dy(acac)3(dppn)]·C2H5OH: construction of a single-ion magnet based on the square-antiprism dysprosium(iii) ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16659","16665","10.1039/c4dt01956c","","","0.71073","MoKα","","0.0673","0.048","","","0.086","0.0978","","","","","","1.04","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032542","13.0596","0.0003","16.3732","0.0004","16.6147","0.0004","90","","90.82","0.01","90","","3552.31","0.15","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H58 Eu N3 O2 Si6 -","- C20 H58 Eu N3 O2 Si6 -","- C80 H232 Eu4 N12 O8 Si24 -","4","1","","Bienfait, André M; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W; Anwander, Reiner","Europium bis(dimethylsilyl)amides including mixed-valent Eu3[N(SiHMe2)2]6[μ-N(SiHMe2)2]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17324","17332","10.1039/c4dt02411g","","","0.71073","MoKα","","0.0152","0.0144","","","0.038","0.0384","","","","","","1.1","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032543","15.3672","0.0005","39.2563","0.0012","32.0718","0.001","90","","90.434","0.001","90","","19347.1","1.1","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H100 Eu3 N6 O2 Si12 -","- C32 H100 Eu3 N6 O2 Si12 -","- C384 H1200 Eu36 N72 O24 Si144 -","12","3","","Bienfait, André M; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W; Anwander, Reiner","Europium bis(dimethylsilyl)amides including mixed-valent Eu3[N(SiHMe2)2]6[μ-N(SiHMe2)2]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17324","17332","10.1039/c4dt02411g","","","0.71073","MoKα","","0.0427","0.0345","","","0.0585","0.0604","","","","","","1.217","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032544","22.5076","0.0014","11.2473","0.0009","17.5201","0.0011","90","","124.589","0.004","90","","3651.3","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ab182","","","- C16 H56 Eu N4 Na Si8 -","- C16 H56 Eu N4 Na Si8 -","- C64 H224 Eu4 N16 Na4 Si32 -","4","0.5","","Bienfait, André M; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W; Anwander, Reiner","Europium bis(dimethylsilyl)amides including mixed-valent Eu3[N(SiHMe2)2]6[μ-N(SiHMe2)2]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17324","17332","10.1039/c4dt02411g","","","0.71073","MoKα","","0.0377","0.0318","","","0.0667","0.0689","","","","","","1.082","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032545","19.5944","0.0016","11.0176","0.0007","18.0581","0.0016","90","","106.222","0.007","90","","3743.2","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ab141","","","- C16 H56 Eu K N4 Si8 -","- C16 H56 Eu K N4 Si8 -","- C64 H224 Eu4 K4 N16 Si32 -","4","0.5","","Bienfait, André M; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W; Anwander, Reiner","Europium bis(dimethylsilyl)amides including mixed-valent Eu3[N(SiHMe2)2]6[μ-N(SiHMe2)2]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17324","17332","10.1039/c4dt02411g","","","0.71073","MoKα","","0.0378","0.0343","","","0.0795","0.0811","","","","","","1.104","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032546","10.8648","0.0012","20.1124","0.0014","33.327","0.003","90","","94.456","0.008","90","","7260.5","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ab166","","","- C32 H112 Eu3 N8 Si16 -","- C32 H112 Eu3 N8 Si16 -","- C128 H448 Eu12 N32 Si64 -","4","0.5","","Bienfait, André M; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W; Anwander, Reiner","Europium bis(dimethylsilyl)amides including mixed-valent Eu3[N(SiHMe2)2]6[μ-N(SiHMe2)2]2.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17324","17332","10.1039/c4dt02411g","","","0.71073","MoKα","","0.0471","0.0359","","","0.072","0.0751","","","","","","1.094","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032547","10.5407","0.0012","25.531","0.003","10.8527","0.0012","90","","90.086","0.002","90","","2920.6","0.6","100","0.5","100","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(i-PrPNP)Ir(biphenylene)","","","- C32 H43 Ir P2 -","- C32 H43 Ir P2 -","- C128 H172 Ir4 P8 -","4","1","","Laviska, David A.; Guan, Changjian; Emge, Thomas J.; Wilklow-Marnell, Miles; Brennessel, William W.; Jones, William D.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Addition of C-C and C-H bonds by pincer-iridium complexes: a combined experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16354","16365","10.1039/c4dt02043j","","","0.71073","MoKα","","0.0398","0.0284","","","0.0497","0.0519","","","","","","1.136","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032548","13.587","0.008","15.483","0.009","13.932","0.008","90","","96.765","0.011","90","","2910","3","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(i-PrPNP)Ir(biphenylene)(CO)","","","- C33 H43 Ir O P2 -","- C33 H43 Ir O P2 -","- C132 H172 Ir4 O4 P8 -","4","1","","Laviska, David A.; Guan, Changjian; Emge, Thomas J.; Wilklow-Marnell, Miles; Brennessel, William W.; Jones, William D.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Addition of C-C and C-H bonds by pincer-iridium complexes: a combined experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16354","16365","10.1039/c4dt02043j","","","0.71073","MoKα","","0.0322","0.0227","","","0.0466","0.0494","","","","","","1.042","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032549","29.294","0.007","29.294","0.007","21.131","0.007","90","","90","","120","","15704","7","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C37.83 H53 Ir O P2 -","- C37.8335 H53.0004 Ir O P2 -","- C681.003 H954.007 Ir18 O18 P36 -","18","1","","Laviska, David A.; Guan, Changjian; Emge, Thomas J.; Wilklow-Marnell, Miles; Brennessel, William W.; Jones, William D.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Addition of C-C and C-H bonds by pincer-iridium complexes: a combined experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16354","16365","10.1039/c4dt02043j","","","0.71073","MoKα","","0.0712","0.0533","","","0.1219","0.1295","","","","","","1.007","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032550","17.958","0.003","10.172","0.0015","20.232","0.003","90","","111.853","0.002","90","","3430.2","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 Li N2 O2 P -","- C36 H52 Li N2 O2 P -","- C144 H208 Li4 N8 O8 P4 -","4","1","","Prashanth, Billa; Singh, Sanjay","A new bulky iminophosphonamide as an N,N'-chelating ligand: synthesis and structural characterization of heteroleptic group 13 element complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16880","16888","10.1039/c4dt02637c","","","0.71073","MoKα","","0.0748","0.0499","","","0.1073","0.119","","","","","","1.033","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032551","11.0689","0.0012","12.1736","0.0012","13.9552","0.0015","64.181","0.004","77.344","0.005","72.461","0.004","1605.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 Al N2 O P -","- C32 H48 Al N2 O P -","- C64 H96 Al2 N4 O2 P2 -","2","1","","Prashanth, Billa; Singh, Sanjay","A new bulky iminophosphonamide as an N,N'-chelating ligand: synthesis and structural characterization of heteroleptic group 13 element complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16880","16888","10.1039/c4dt02637c","","","0.71073","MoKα","","0.0351","0.0315","","","0.0822","0.0848","","","","","","1.036","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032552","8.8728","0.0012","10.2033","0.0014","16.2818","0.0016","80.616","0.008","86.06","0.006","74.125","0.007","1398.4","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 Al N2 P -","- C30 H42 Al N2 P -","- C60 H84 Al2 N4 P2 -","2","1","","Prashanth, Billa; Singh, Sanjay","A new bulky iminophosphonamide as an N,N'-chelating ligand: synthesis and structural characterization of heteroleptic group 13 element complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16880","16888","10.1039/c4dt02637c","","","0.71073","MoKα","","0.079","0.0651","","","0.1678","0.181","","","","","","1.039","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032553","9.991","0.003","15.962","0.005","17.013","0.005","90","","99.83","0.012","90","","2673.3","1.4","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H36 B Cl2 N2 P -","- C28 H36 B Cl2 N2 P -","- C112 H144 B4 Cl8 N8 P4 -","4","1","","Prashanth, Billa; Singh, Sanjay","A new bulky iminophosphonamide as an N,N'-chelating ligand: synthesis and structural characterization of heteroleptic group 13 element complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16880","16888","10.1039/c4dt02637c","","","0.71073","MoKα","","0.0602","0.0385","","","0.097","0.1011","","","","","","1.115","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032554","8.8896","0.0004","17.8277","0.0009","17.8433","0.0009","90","","102.859","0.003","90","","2756.9","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Al Cl2 N2 P -","- C28 H36 Al Cl2 N2 P -","- C112 H144 Al4 Cl8 N8 P4 -","4","1","","Prashanth, Billa; Singh, Sanjay","A new bulky iminophosphonamide as an N,N'-chelating ligand: synthesis and structural characterization of heteroleptic group 13 element complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16880","16888","10.1039/c4dt02637c","","","0.71073","MoKα","","0.0369","0.0292","","","0.0741","0.0784","","","","","","1.045","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032555","10.053","0.003","16.487","0.003","17.083","0.005","90","","102.03","0.02","90","","2769.2","1.3","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H36 Cl2 Ga N2 P -","- C28 H36 Cl2 Ga N2 P -","- C112 H144 Cl8 Ga4 N8 P4 -","4","1","","Prashanth, Billa; Singh, Sanjay","A new bulky iminophosphonamide as an N,N'-chelating ligand: synthesis and structural characterization of heteroleptic group 13 element complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16880","16888","10.1039/c4dt02637c","","","0.71073","MoKα","","0.0606","0.0434","","","0.071","0.0761","","","","","","0.926","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032556","11.9558","0.0001","11.9841","0.0001","16.9461","0.0002","70.932","0.001","73.026","0.001","67.057","0.001","2075.14","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H47 Al F5 N2 P -","- C42 H47 Al F5 N2 P -","- C84 H94 Al2 F10 N4 P2 -","2","1","","Prashanth, Billa; Singh, Sanjay","A new bulky iminophosphonamide as an N,N'-chelating ligand: synthesis and structural characterization of heteroleptic group 13 element complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16880","16888","10.1039/c4dt02637c","","","0.71073","MoKα","","0.0741","0.0642","","","0.1781","0.1855","","","","","","1.226","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032557","12.5905","0.0004","16.257","0.0006","16.7408","0.0006","99.262","0.003","109.725","0.003","112.78","0.003","2801","0.2","100","0","100","0","","","","","","","","6","P -1","-P 1","2","","","","- C96 H138 Dy4 Mn3 N14 O34 -","- C88 H126 Dy4 Mn3 N10 O34 -","- C88 H126 Dy4 Mn3 N10 O34 -","1","0.5","","Chen, Hui; Ma, Cheng-Bing; Hu, Ming-Qiang; Wen, Hui-Min; Chen, Chang-Neng","A family of novel Mn3Ln4 clusters displaying single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16737","16744","10.1039/c4dt01816h","","","1.54184","CuKα","","0.0719","0.058","","","0.1508","0.1562","","","","","","0.995","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032558","12.5662","0.0005","16.2692","0.0008","16.786","0.0007","65.082","0.004","70.517","0.004","67.353","0.004","2811.5","0.2","100","0.4","100","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C100 H144 Mn3 N16 O34 Tb4 -","- C88 H126 Mn3 N10 O34 Tb4 -","- C88 H126 Mn3 N10 O34 Tb4 -","1","0.5","","Chen, Hui; Ma, Cheng-Bing; Hu, Ming-Qiang; Wen, Hui-Min; Chen, Chang-Neng","A family of novel Mn3Ln4 clusters displaying single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16737","16744","10.1039/c4dt01816h","","","1.54184","CuKα","","0.0897","0.0632","","","0.1659","0.1773","","","","","","0.951","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032559","12.5114","0.0005","16.2168","0.0009","16.7501","0.0009","65.226","0.005","70.403","0.004","67.618","0.004","2790","0.3","100","0","100","0","","","","","","","","6","P -1","-P 1","2","","","","- C94 H135 Mn3 N13 O34 Y4 -","- C88 H126 Mn3 N10 O34 Y4 -","- C88 H126 Mn3 N10 O34 Y4 -","1","0.5","","Chen, Hui; Ma, Cheng-Bing; Hu, Ming-Qiang; Wen, Hui-Min; Chen, Chang-Neng","A family of novel Mn3Ln4 clusters displaying single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16737","16744","10.1039/c4dt01816h","","","1.54184","CuKα","","0.0609","0.0507","","","0.1382","0.1449","","","","","","1.064","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032562","5.69719","0.00004","5.69719","","8.07118","0.00012","90","","90","","90","","261.974","0.004","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Li0.32 N3.56 O7.64 Sr3.68 Ta3.68 -","- Li0.32 N3.56 O7.64 Sr3.68 Ta3.68 -","- Li0.32 N3.56 O7.64 Sr3.68 Ta3.68 -","1","0.03125","","Kim, Jung-Mi; Kim, Young-Il; Park, Chee-Sung; Park, Cheol-Hee","Transformation of a layered perovskite to a defect perovskite via cooperative Li-insertion and O/N substitution.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16830","16837","10.1039/c4dt02335h","powder diffraction","x-ray","1.5406","","","","","","","","","0.02025","","1.83","","","","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032563","5.69071","0.00015","5.69071","","8.0673","0.0005","90","","90","","90","","261.253","0.018","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Li1.08 N2.32 O7.28 Sr2.92 Ta2.92 -","- Li1.08 N2.324 O7.276 Sr2.92 Ta2.92 -","- Li1.08 N2.324 O7.276 Sr2.92 Ta2.92 -","1","0.03125","","Kim, Jung-Mi; Kim, Young-Il; Park, Chee-Sung; Park, Cheol-Hee","Transformation of a layered perovskite to a defect perovskite via cooperative Li-insertion and O/N substitution.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16830","16837","10.1039/c4dt02335h","powder diffraction","","","","","","","","","","","","","2.77","","","","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032564","5.69035","0.00007","5.69035","","8.06693","0.0002","90","","90","","90","","261.208","0.007","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Li1.08 N2.32 O7.28 Sr2.92 Ta2.92 -","- Li1.08 N2.3192 O7.28 Sr2.92 Ta2.92 -","- Li1.08 N2.3192 O7.28 Sr2.92 Ta2.92 -","1","0.03125","","Kim, Jung-Mi; Kim, Young-Il; Park, Chee-Sung; Park, Cheol-Hee","Transformation of a layered perovskite to a defect perovskite via cooperative Li-insertion and O/N substitution.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16830","16837","10.1039/c4dt02335h","powder diffraction","x-ray","1.5406","","","","","","","","","0.03096","","1.92","","","","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032565","5.69444","0.00005","5.69444","","8.06977","0.00015","90","","90","","90","","261.676","0.005","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Li0.68 N2.96 O7.52 Sr3.32 Ta3.32 -","- Li0.68 N2.96 O7.52 Sr3.32 Ta3.32 -","- Li0.68 N2.96 O7.52 Sr3.32 Ta3.32 -","1","0.03125","","Kim, Jung-Mi; Kim, Young-Il; Park, Chee-Sung; Park, Cheol-Hee","Transformation of a layered perovskite to a defect perovskite via cooperative Li-insertion and O/N substitution.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16830","16837","10.1039/c4dt02335h","powder diffraction","x-ray","1.5406","","","","","","","","","0.02892","","1.87","","","","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032566","12.1411","0.0002","13.5194","0.0002","12.3562","0.0002","90","","109.204","0.0006","90","","1915.29","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(tris((1-Methylimidazol-2-yl)methyl)amine-N,N',N'',N''')-cadmium(ii)diperchlorate","","- C30 H42 Cd Cl2 N14 O8 -","- C30 H42 Cd Cl2 N14 O8 -","- C60 H84 Cd2 Cl4 N28 O16 -","2","0.5","","Bowers, Edith V.; Murphy, Geoffrey S.; Till, Stephanie N.; VandenBussche, Christopher J.; Yaroschak, Melissa M.; Pike, Robert D.; Butcher, Raymond J.; Bebout, Deborah C.","Bis-tetradentate complexes of Cd(ii) and Hg(ii) with N8 coordination: structural and NMR comparisons.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16475","16485","10.1039/c4dt02435d","","","1.54178","CuKα","","0.0222","0.0218","","","0.0569","0.0573","","","","","","1.004","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032567","8.851","0.002","11.767","0.004","11.94","0.003","63.64","0.016","83.337","0.014","85.85","0.018","1106.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(bis((1-Methylimidazol-2-yl)methyl)((2-pyridyl)methyl)amine-N,N',N'',N''')-cadmium(ii) diperchlorate","","- C39 H48 Cd Cl2 N12 O8 -","- C39 H48 Cd Cl2 N12 O8 -","- C39 H48 Cd Cl2 N12 O8 -","1","0.5","","Bowers, Edith V.; Murphy, Geoffrey S.; Till, Stephanie N.; VandenBussche, Christopher J.; Yaroschak, Melissa M.; Pike, Robert D.; Butcher, Raymond J.; Bebout, Deborah C.","Bis-tetradentate complexes of Cd(ii) and Hg(ii) with N8 coordination: structural and NMR comparisons.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16475","16485","10.1039/c4dt02435d","","","0.71073","MoKα","","0.089","0.0597","","","0.1424","0.1613","","","","","","1.025","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032568","8.9004","0.0016","11.778","0.002","11.9676","0.0017","63.234","0.011","82.953","0.013","85.246","0.019","1111.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(bis((1-Methylimidazol-2-yl)methyl)((2-pyridyl)methyl)amine-N,N',N'',N''')-mercury(ii) diperchlorate","","- C39 H48 Cl2 Hg N12 O8 -","- C39 H48 Cl2 Hg N12 O8 -","- C39 H48 Cl2 Hg N12 O8 -","1","0.5","","Bowers, Edith V.; Murphy, Geoffrey S.; Till, Stephanie N.; VandenBussche, Christopher J.; Yaroschak, Melissa M.; Pike, Robert D.; Butcher, Raymond J.; Bebout, Deborah C.","Bis-tetradentate complexes of Cd(ii) and Hg(ii) with N8 coordination: structural and NMR comparisons.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16475","16485","10.1039/c4dt02435d","","","0.71073","MoKα","","0.037","0.0335","","","0.0839","0.0864","","","","","","1.026","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032569","21.2799","0.0004","11.8681","0.0002","17.13","0.0003","90","","98.333","0.001","90","","4280.54","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(((1-Methylimidazol-2-yl)methyl)bis((2-pyridyl)methyl)amine-N,N',N'',N''')-cadmium(ii) diperchlorate","","- C41 H46 Cd Cl2 N10 O8 -","- C41 H46 Cd Cl2 N10 O8 -","- C164 H184 Cd4 Cl8 N40 O32 -","4","0.5","","Bowers, Edith V.; Murphy, Geoffrey S.; Till, Stephanie N.; VandenBussche, Christopher J.; Yaroschak, Melissa M.; Pike, Robert D.; Butcher, Raymond J.; Bebout, Deborah C.","Bis-tetradentate complexes of Cd(ii) and Hg(ii) with N8 coordination: structural and NMR comparisons.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16475","16485","10.1039/c4dt02435d","","","1.54178","CuKα","","0.0286","0.0282","","","0.0666","0.0668","","","","","","1.149","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032570","21.4151","0.0018","11.8611","0.001","17.6893","0.0015","90","","96.467","0.007","90","","4464.6","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(((1-Methylimidazol-2-yl)methyl)bis((2-pyridyl)methyl)amine-N,N',N'',N''')-mercury(ii) diperchlorate","","- C41 H46 Cl2 Hg N10 O8 -","- C41 H46 Cl2 Hg N10 O8 -","- C164 H184 Cl8 Hg4 N40 O32 -","4","0.5","","Bowers, Edith V.; Murphy, Geoffrey S.; Till, Stephanie N.; VandenBussche, Christopher J.; Yaroschak, Melissa M.; Pike, Robert D.; Butcher, Raymond J.; Bebout, Deborah C.","Bis-tetradentate complexes of Cd(ii) and Hg(ii) with N8 coordination: structural and NMR comparisons.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16475","16485","10.1039/c4dt02435d","","","0.71073","MoKα","","0.137","0.058","","","0.1049","0.1312","","","","","","0.977","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032571","7.542","0.0006","16.0923","0.0014","14.672","0.0013","90","","102.015","0.002","90","","1741.7","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N O S -","- C23 H15 N O S -","- C92 H60 N4 O4 S4 -","4","1","","Ma, Bin-Bin; Peng, Yu-Xin; Tao, Tao; Huang, Wei","A distinguishable photovoltaic performance on dye-sensitized solar cells using ruthenium sensitizers with a pair of isomeric ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16601","16604","10.1039/c4dt01832j","","","0.71073","MoKα","","0.0616","0.0435","","","0.1129","0.1251","","","","","","1.042","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032572","13.297","0.006","14.286","0.007","10.07","0.005","90","","103.84","0.007","90","","1857.4","1.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O S -","- C23 H15 N O S -","- C92 H60 N4 O4 S4 -","4","1","","Ma, Bin-Bin; Peng, Yu-Xin; Tao, Tao; Huang, Wei","A distinguishable photovoltaic performance on dye-sensitized solar cells using ruthenium sensitizers with a pair of isomeric ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16601","16604","10.1039/c4dt01832j","","","0.71073","MoKα","","0.1308","0.0669","","","0.1558","0.1853","","","","","","1.006","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032573","9.09","0.005","9.383","0.005","15.108","0.008","79.476","0.009","81.97","0.008","81.163","0.009","1243.6","1.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N3 O3 S -","- C29 H23 N3 O3 S -","- C58 H46 N6 O6 S2 -","2","1","","Ma, Bin-Bin; Peng, Yu-Xin; Tao, Tao; Huang, Wei","A distinguishable photovoltaic performance on dye-sensitized solar cells using ruthenium sensitizers with a pair of isomeric ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16601","16604","10.1039/c4dt01832j","","","0.71073","MoKα","","0.1098","0.0526","","","0.1118","0.1334","","","","","","0.99","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032574","12.2202","0.0002","11.4037","0.0002","11.7719","0.0002","90","","100.431","0.002","90","","1613.37","0.05","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Zr -","- C20 H22 Zr -","- C80 H88 Zr4 -","4","1","","Bauer, Heiko; Glöckner, Andreas; Tagne Kuate, Alain C.; Schäfer, Sebastian; Sun, Yu; Freytag, Matthias; Tamm, Matthias; Walter, Marc D.; Sitzmann, Helmut","How big is a Cp? Novel cycloheptatrienyl zirconium complexes with tri-, tetra- and pentasubstituted cyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15818","15828","10.1039/c4dt01581a","","","1.54184","CuKα","","0.022","0.0208","","","0.0535","0.054","","","","","","1.136","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032575","20.828","0.0002","11.2237","0.0001","18.7759","0.0002","90","","90","","90","","4389.19","0.07","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H36 Zr -","- C27 H36 Zr -","- C216 H288 Zr8 -","8","2","","Bauer, Heiko; Glöckner, Andreas; Tagne Kuate, Alain C.; Schäfer, Sebastian; Sun, Yu; Freytag, Matthias; Tamm, Matthias; Walter, Marc D.; Sitzmann, Helmut","How big is a Cp? Novel cycloheptatrienyl zirconium complexes with tri-, tetra- and pentasubstituted cyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15818","15828","10.1039/c4dt01581a","","","1.54184","CuKα","","0.0237","0.0231","","","0.0594","0.0599","","","","","","1.074","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032576","13.8451","0.0001","15.7176","0.0001","31.7801","0.0003","90","","90","","90","","6915.72","0.09","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Zr -","- C20 H28 Zr -","- C320 H448 Zr16 -","16","2","","Bauer, Heiko; Glöckner, Andreas; Tagne Kuate, Alain C.; Schäfer, Sebastian; Sun, Yu; Freytag, Matthias; Tamm, Matthias; Walter, Marc D.; Sitzmann, Helmut","How big is a Cp? Novel cycloheptatrienyl zirconium complexes with tri-, tetra- and pentasubstituted cyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15818","15828","10.1039/c4dt01581a","","","1.54184","CuKα","","0.0208","0.0182","","","0.0466","0.0473","","","","","","1.042","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032577","14.3913","0.0002","14.1131","0.0002","21.5608","0.0003","90","","90","","90","","4379.12","0.11","150","2","150","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C23 H36 Si Zr -","- C23 H36 Si Zr -","- C184 H288 Si8 Zr8 -","8","","","Bauer, Heiko; Glöckner, Andreas; Tagne Kuate, Alain C.; Schäfer, Sebastian; Sun, Yu; Freytag, Matthias; Tamm, Matthias; Walter, Marc D.; Sitzmann, Helmut","How big is a Cp? Novel cycloheptatrienyl zirconium complexes with tri-, tetra- and pentasubstituted cyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15818","15828","10.1039/c4dt01581a","","","1.54184","CuKα","","0.03","0.029","","","0.0794","0.08","","","","","","1.145","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032578","24.3208","0.0008","6.2097","0.0002","31.4383","0.001","90","","93.649","0.003","90","","4738.3","0.3","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 -","- C35 H26 -","- C280 H208 -","8","2","","Bauer, Heiko; Glöckner, Andreas; Tagne Kuate, Alain C.; Schäfer, Sebastian; Sun, Yu; Freytag, Matthias; Tamm, Matthias; Walter, Marc D.; Sitzmann, Helmut","How big is a Cp? Novel cycloheptatrienyl zirconium complexes with tri-, tetra- and pentasubstituted cyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15818","15828","10.1039/c4dt01581a","","","1.54184","CuKα","","0.0444","0.04","","","0.1","0.1037","","","","","","1.032","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032579","5.002","0.0006","13.078","0.002","14.257","0.002","90","","90","","90","","932.6","0.2","120","1","120","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Hawes, Chris S.; Kruger, Paul E.","Discrete and polymeric Cu(ii) complexes featuring substituted indazole ligands: their synthesis and structural chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16450","16458","10.1039/c4dt02428a","","","1.54184","CuKα","","0.036","0.0335","","","0.0877","0.0894","","","","","","1.123","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032580","5.6717","0.0006","11.2569","0.0011","14.8452","0.0016","90","","90","","90","","947.8","0.17","120","1","120","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Hawes, Chris S.; Kruger, Paul E.","Discrete and polymeric Cu(ii) complexes featuring substituted indazole ligands: their synthesis and structural chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16450","16458","10.1039/c4dt02428a","","","1.54184","CuKα","","0.0494","0.0401","","","0.0944","0.1025","","","","","","1.078","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032581","4.9524","0.0007","10.9756","0.0009","14.6313","0.0015","81.698","0.008","83.854","0.01","78.805","0.009","769.42","0.15","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N2 O2.5 -","- C8 H7 N2 O2.5 -","- C32 H28 N8 O10 -","4","2","","Hawes, Chris S.; Kruger, Paul E.","Discrete and polymeric Cu(ii) complexes featuring substituted indazole ligands: their synthesis and structural chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16450","16458","10.1039/c4dt02428a","","","1.54184","CuKα","","0.0524","0.0428","","","0.1079","0.1158","","","","","","1.038","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7032582","7.2872","0.0002","15.9102","0.0005","21.2623","0.0006","90","","99.328","0.003","90","","2432.57","0.12","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 Cu2 N16 O15 -","- C48 H42 Cu2 N16 O15 -","- C96 H84 Cu4 N32 O30 -","2","0.5","","Hawes, Chris S.; Kruger, Paul E.","Discrete and polymeric Cu(ii) complexes featuring substituted indazole ligands: their synthesis and structural chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16450","16458","10.1039/c4dt02428a","","","1.54184","CuKα","","0.0744","0.0554","","","0.1387","0.1536","","","","","","1.039","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032583","18.0728","0.0019","7.5078","0.0006","18.9452","0.0019","90","","115.277","0.013","90","","2324.5","0.5","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cu N8 O6 -","- C24 H18 Cu N8 O6 -","- C96 H72 Cu4 N32 O24 -","4","1","","Hawes, Chris S.; Kruger, Paul E.","Discrete and polymeric Cu(ii) complexes featuring substituted indazole ligands: their synthesis and structural chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16450","16458","10.1039/c4dt02428a","","","1.54184","CuKα","","0.0656","0.0519","","","0.1354","0.1458","","","","","","1.066","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032584","10.2213","0.0006","11.4215","0.0005","14.0872","0.0007","105.934","0.004","101.559","0.004","104.354","0.004","1467.04","0.15","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H49.5 Cu3 N10 O18 -","- C49.5 H49.5 Cu3 N10 O18 -","- C49.5 H49.5 Cu3 N10 O18 -","1","0.5","","Hawes, Chris S.; Kruger, Paul E.","Discrete and polymeric Cu(ii) complexes featuring substituted indazole ligands: their synthesis and structural chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16450","16458","10.1039/c4dt02428a","","","1.54184","CuKα","","0.0624","0.0549","","","0.155","0.1646","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032585","25.73","0.002","4.5836","0.0002","17.8406","0.0013","90","","124.14","0.011","90","","1741.5","0.3","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 Cu N4 O6 -","- C17 H13 Cu N4 O6 -","- C68 H52 Cu4 N16 O24 -","4","0.5","","Hawes, Chris S.; Kruger, Paul E.","Discrete and polymeric Cu(ii) complexes featuring substituted indazole ligands: their synthesis and structural chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16450","16458","10.1039/c4dt02428a","","","1.54184","CuKα","","0.0455","0.0433","","","0.1197","0.1215","","","","","","1.14","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032586","7.8001","0.0016","14.869","0.003","23.458","0.005","90","","92.03","0.03","90","","2718.9","1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 N3 -","- C32 H39 N3 -","- C128 H156 N12 -","4","1","","Huang, Fang; Xing, Qifeng; Liang, Tongling; Flisak, Zygmunt; Ye, Bin; Hu, Xinquan; Yang, Wenhong; Sun, Wen-Hua","2-(1-Aryliminoethyl)-9-arylimino-5,6,7,8-tetrahydrocycloheptapyridyl iron(ii) dichloride: synthesis, characterization, and the highly active and tunable active species in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16818","16829","10.1039/c4dt02102a","","","0.71073","MoKα","","","0.0763","","","0.1519","0.1618","","","","","","1.163","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032587","10.195","0.002","13.079","0.003","22.311","0.005","94.64","0.03","92.62","0.03","102.15","0.03","2892.8","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 Cl2 Fe N3 -","- C28 H31 Cl2 Fe N3 -","- C112 H124 Cl8 Fe4 N12 -","4","2","","Huang, Fang; Xing, Qifeng; Liang, Tongling; Flisak, Zygmunt; Ye, Bin; Hu, Xinquan; Yang, Wenhong; Sun, Wen-Hua","2-(1-Aryliminoethyl)-9-arylimino-5,6,7,8-tetrahydrocycloheptapyridyl iron(ii) dichloride: synthesis, characterization, and the highly active and tunable active species in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16818","16829","10.1039/c4dt02102a","","","0.71073","MoKα","","","0.0731","","","0.191","0.2035","","","","","","1.067","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032588","38.289","0.008","34.676","0.007","18.386","0.004","90","","99.36","0.03","90","","24086","9","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H39 Cl2 Fe N3 -","- C32 H39 Cl2 Fe N3 -","- C1024 H1248 Cl64 Fe32 N96 -","32","8","","Huang, Fang; Xing, Qifeng; Liang, Tongling; Flisak, Zygmunt; Ye, Bin; Hu, Xinquan; Yang, Wenhong; Sun, Wen-Hua","2-(1-Aryliminoethyl)-9-arylimino-5,6,7,8-tetrahydrocycloheptapyridyl iron(ii) dichloride: synthesis, characterization, and the highly active and tunable active species in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16818","16829","10.1039/c4dt02102a","","","0.71073","MoKα","","","0.0977","","","0.215","0.2499","","","","","","1.092","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032589","9.4597","0.0007","11.38","0.0009","13.1332","0.001","72.399","0.009","82.89","0.009","70.483","0.009","1269.78","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H60 Co N6 S2 -","- C58 H60 Co N6 S2 -","- C58 H60 Co N6 S2 -","1","0.5","","Werner, Julia; Rams, Michał; Tomkowicz, Zbigniew; Näther, Christian","A Co(ii) thiocyanato coordination polymer with 4-(3-phenylpropyl)pyridine: the influence of the co-ligand on the magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17333","17342","10.1039/c4dt02271h","","","0.71073","MoKα","","0.058","0.041","","","0.1009","0.1069","","","","","","0.955","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032590","11.2774","0.0006","16.0343","0.0008","15.8148","0.001","90","","96.24","0.005","90","","2842.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Co N4 S2 -","- C30 H30 Co N4 S2 -","- C120 H120 Co4 N16 S8 -","4","1","","Werner, Julia; Rams, Michał; Tomkowicz, Zbigniew; Näther, Christian","A Co(ii) thiocyanato coordination polymer with 4-(3-phenylpropyl)pyridine: the influence of the co-ligand on the magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17333","17342","10.1039/c4dt02271h","","","0.71073","MoKα","","0.0908","0.054","","","0.1571","0.1789","","","","","","0.937","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032591","14.9934","0.0003","11.6341","0.0004","22.8845","0.0006","90","","98.022","0.002","90","","3952.79","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H48 Cr Mo6 N3 O36 -","- C12 H48 Cr Mo6 N3 O36 -","- C48 H192 Cr4 Mo24 N12 O144 -","4","1","","Zhang, Jiangwei; Zhao, Zhenlin; Zhang, Jin; She, Shan; Huang, Yichao; Wei, Yongge","Spontaneous resolution of polyoxometalate-based inorganic-organic hybrids driven by solvent and common ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17296","17302","10.1039/c4dt01954g","","","0.71073","MoKα","","0.0369","0.0294","","","0.0628","0.0661","","","","","","1.042","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032592","16.314","0.0013","15.3614","0.0006","18.1903","0.0008","90","","92.867","0.007","90","","4552.9","0.5","101","2","101","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H162 Br Cr Mo6 N5 O26 -","- C68 H157.818 Br Cr Mo6 N5 O25.409 -","- C136 H315.636 Br2 Cr2 Mo12 N10 O50.818 -","2","1","","Zhang, Jiangwei; Zhao, Zhenlin; Zhang, Jin; She, Shan; Huang, Yichao; Wei, Yongge","Spontaneous resolution of polyoxometalate-based inorganic-organic hybrids driven by solvent and common ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17296","17302","10.1039/c4dt01954g","","","0.71073","MoKα","","0.0465","0.0359","","","0.0861","0.0933","","","","","","1.03","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032593","25.2004","0.0017","23.354","0.0014","15.302","0.0016","90","","90","","90","","9005.7","1.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C53 H126 Cr Mo6 N3 O27 -","- C53 H126.5 Cr Mo6 N3 O28 -","- C212 H506 Cr4 Mo24 N12 O112 -","4","0.5","","Zhang, Jiangwei; Zhao, Zhenlin; Zhang, Jin; She, Shan; Huang, Yichao; Wei, Yongge","Spontaneous resolution of polyoxometalate-based inorganic-organic hybrids driven by solvent and common ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17296","17302","10.1039/c4dt01954g","","","0.71073","MoKα","","0.0685","0.0547","","","0.1052","0.1295","","","","","","1.089","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032594","15.1562","0.0005","21.7956","0.0013","25.0114","0.0013","90","","90","","90","","8262.2","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H142 Cr Mo6 N3 O35 -","- C53 H142 Cr Mo6 N3 O35 -","- C212 H568 Cr4 Mo24 N12 O140 -","4","1","","Zhang, Jiangwei; Zhao, Zhenlin; Zhang, Jin; She, Shan; Huang, Yichao; Wei, Yongge","Spontaneous resolution of polyoxometalate-based inorganic-organic hybrids driven by solvent and common ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17296","17302","10.1039/c4dt01954g","","","0.71073","MoKα","","0.0566","0.0461","","","0.0934","0.0991","","","","","","1.051","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032595","16.1276","0.0006","15.453","0.0004","18.2045","0.0003","90","","92.631","0.002","90","","4532.1","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C69 H156 Br Cr Mo6 N4 O24 -","- C69 H154.5 Br Cr Mo6 N4 O24 -","- C138 H309 Br2 Cr2 Mo12 N8 O48 -","2","1","","Zhang, Jiangwei; Zhao, Zhenlin; Zhang, Jin; She, Shan; Huang, Yichao; Wei, Yongge","Spontaneous resolution of polyoxometalate-based inorganic-organic hybrids driven by solvent and common ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17296","17302","10.1039/c4dt01954g","","","0.71073","MoKα","","0.06","0.0518","","","0.1035","0.1122","","","","","","1.082","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032596","16.5994","0.0003","26.2375","0.0006","22.12","0.0004","90","","91.7125","0.0017","90","","9629.5","0.3","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H162 Br2 Cr Mo6 N5 O24 -","- C70 H162 Br2 Cr Mo6 N5 O24 -","- C280 H648 Br8 Cr4 Mo24 N20 O96 -","4","1","","Zhang, Jiangwei; Zhao, Zhenlin; Zhang, Jin; She, Shan; Huang, Yichao; Wei, Yongge","Spontaneous resolution of polyoxometalate-based inorganic-organic hybrids driven by solvent and common ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17296","17302","10.1039/c4dt01954g","","","0.71073","MoKα","","0.0532","0.0489","","","0.0893","0.1086","","","","","","1.029","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032597","16.1185","0.0003","15.6094","0.0003","18.3046","0.0003","90","","93.353","0.0018","90","","4597.56","0.14","104","2","104","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H158 Br Cr Mo6 N4 O24 -","- C70 H158 Br Cr Mo6 N4 O24 -","- C140 H316 Br2 Cr2 Mo12 N8 O48 -","2","1","","Zhang, Jiangwei; Zhao, Zhenlin; Zhang, Jin; She, Shan; Huang, Yichao; Wei, Yongge","Spontaneous resolution of polyoxometalate-based inorganic-organic hybrids driven by solvent and common ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17296","17302","10.1039/c4dt01954g","","","1.54184","CuKα","","0.056","0.0542","","","0.1003","0.1028","","","","","","1.027","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032598","13.575","0.0004","9.84","0.0004","14.004","0.0005","90","","109.784","0.002","90","","1760.21","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound X","N,N'-bis-5-bromo-2-hydroxybenzylidene-1,2-propylenediaminato-oxovanadium(IV)","","- C17 H14 Br2 N2 O3 V -","- C17 H14 Br2 N2 O3 V -","- C68 H56 Br8 N8 O12 V4 -","4","1","","Zabierowski, Piotr; Szklarzewicz, Janusz; Gryboś, Ryszard; Modryl, Barbara; Nitek, Wojciech","Assemblies of salen-type oxidovanadium(iv) complexes: substituent effects and in vitro protein tyrosine phosphatase inhibition.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17044","17053","10.1039/c4dt02344g","","","0.71073","MoKα","","0.0486","0.0356","","","0.0855","0.0942","","","","6.164","6.164","1.046","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032599","13.776","0.005","9.987","0.005","13.703","0.005","90","0.005","113.198","0.005","90","0.005","1732.8","1.2","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","N,N'-bis-5-chloro-2-hydroxybenzylidene-1,2-propylenediaminato-oxovanadium(IV)","","- C17 H14 Cl2 N2 O3 V -","- C17 H14 Cl2 N2 O3 V -","- C68 H56 Cl8 N8 O12 V4 -","4","1","","Zabierowski, Piotr; Szklarzewicz, Janusz; Gryboś, Ryszard; Modryl, Barbara; Nitek, Wojciech","Assemblies of salen-type oxidovanadium(iv) complexes: substituent effects and in vitro protein tyrosine phosphatase inhibition.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17044","17053","10.1039/c4dt02344g","","x-ray","0.71069","MoKα","","0.081","0.0517","","","0.121","0.141","","","","","","1.051","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032600","12.653","0.002","13.226","0.003","15.989","0.003","90","","107.583","0.009","90","","2550.7","0.9","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl2 N2 O4 Ru S2 -","- C22 H26 Cl2 N2 O4 Ru S2 -","- C88 H104 Cl8 N8 O16 Ru4 S8 -","4","1","","Alagesan, M.; Sathyadevi, P.; Krishnamoorthy, P.; Bhuvanesh, N. S. P.; Dharmaraj, N.","DMSO containing ruthenium(ii) hydrazone complexes: in vitro evaluation of biomolecular interaction and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15829","15840","10.1039/c4dt01032a","","","1.54178","CuKα","","0.0463","0.0321","","","0.0686","0.0712","","","","","","0.889","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032601","12.4046","0.0012","13.4333","0.0014","15.3847","0.0018","90","","106.526","0.006","90","","2457.7","0.5","110","2","110.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl2 N2 O4 Ru S3 -","- C20 H24 Cl2 N2 O4 Ru S3 -","- C80 H96 Cl8 N8 O16 Ru4 S12 -","4","1","","Alagesan, M.; Sathyadevi, P.; Krishnamoorthy, P.; Bhuvanesh, N. S. P.; Dharmaraj, N.","DMSO containing ruthenium(ii) hydrazone complexes: in vitro evaluation of biomolecular interaction and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15829","15840","10.1039/c4dt01032a","","","1.54178","CuKα","","0.0296","0.0251","","","0.0599","0.0605","","","","","","1.052","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032602","7.8292","0.0004","17.6253","0.001","21.2086","0.0011","90","","90","","90","","2926.6","0.3","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H28 N4 Ni -","- C40 H28 N4 Ni -","- C160 H112 N16 Ni4 -","4","1","","Dimé, Abdou K D; Devillers, Charles H.; Cattey, Hélène; Lucas, Dominique","Versatile redox reactivity of triaryl-meso-substituted Ni(ii) porphyrin.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14554","14564","10.1039/c4dt00221k","","","0.71073","MoKα","","0.0954","0.0783","","","0.1434","0.1532","","","","","","1.276","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032603","11.3951","0.0003","13.5257","0.0005","13.7389","0.0005","109.812","0.001","106.495","0.002","100.456","0.002","1817.43","0.11","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H41 Cl N4 Ni -","- C46 H41 Cl N4 Ni -","- C92 H82 Cl2 N8 Ni2 -","2","1","","Dimé, Abdou K D; Devillers, Charles H.; Cattey, Hélène; Lucas, Dominique","Versatile redox reactivity of triaryl-meso-substituted Ni(ii) porphyrin.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14554","14564","10.1039/c4dt00221k","","","0.71073","MoKα","","0.0844","0.0617","","","0.1331","0.147","","","","","","1.129","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032604","9.3136","0.0004","15.5847","0.0006","16.259","0.0007","87.634","0.002","83.678","0.002","84.35","0.002","2333.14","0.17","115","2","115","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H42 F6 N4 Ni P2 -","- C58 H42 F6 N4 Ni P2 -","- C116 H84 F12 N8 Ni2 P4 -","2","1","","Dimé, Abdou K D; Devillers, Charles H.; Cattey, Hélène; Lucas, Dominique","Versatile redox reactivity of triaryl-meso-substituted Ni(ii) porphyrin.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14554","14564","10.1039/c4dt00221k","","","0.71073","MoKα","","0.1533","0.1051","","","0.2069","0.2303","","","","","","1.202","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032605","10.1031","0.0007","14.3045","0.0011","15.535","0.0011","102.53","0.002","108.384","0.002","106.35","0.002","1925.7","0.2","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C87.36 H65.24 Cl9.48 N8 Ni2 -","- C87.36 H65.24 Cl9.48 N8 Ni2 -","- C87.36 H65.24 Cl9.48 N8 Ni2 -","1","0.5","","Dimé, Abdou K D; Devillers, Charles H.; Cattey, Hélène; Lucas, Dominique","Versatile redox reactivity of triaryl-meso-substituted Ni(ii) porphyrin.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14554","14564","10.1039/c4dt00221k","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0809","0.0534","","","0.1237","0.1334","","","","","","1.06","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032606","10.771","0.002","27.332","0.008","14.263","0.003","90","","102.59","0.03","90","","4098","1.7","300","2","300","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C147 H144 Cl5 Fe4 N27 O28 S3 -","- C147 H144 Cl5 Fe4 N27 O28 S3 -","- C147 H144 Cl5 Fe4 N27 O28 S3 -","1","0.125","","Luo, Yang-Hui; Yang, Li-Jing; Liu, Qing-Ling; Ling, Yang; Wang, Wei; Sun, Bai-Wang","Lattice water molecules tuned spin-crossover for an iron(ii) complex with thermal hysteresis.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16937","16942","10.1039/c4dt02587c","","","0.71073","MoKα","","0.1558","0.0889","","","0.2032","0.2421","","","","","","1.054","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032607","10.5927","0.0006","27.0994","0.0014","14.2354","0.0008","90","","102.551","0.005","90","","3988.7","0.4","240","2","240","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H72 Cl Fe2 N15 O8 S3 -","- C75 H72 Cl Fe2 N15 O8 S3 -","- C150 H144 Cl2 Fe4 N30 O16 S6 -","2","0.25","","Luo, Yang-Hui; Yang, Li-Jing; Liu, Qing-Ling; Ling, Yang; Wang, Wei; Sun, Bai-Wang","Lattice water molecules tuned spin-crossover for an iron(ii) complex with thermal hysteresis.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16937","16942","10.1039/c4dt02587c","","","0.71073","MoKα","","0.0688","0.0537","","","0.1447","0.1563","","","","","","1.072","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032608","10.4193","0.0006","26.9922","0.0011","14.3238","0.0008","90","","102.761","0.006","90","","3928.9","0.4","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H72 Cl Fe2 N15 O8 S3 -","- C75 H72 Cl Fe2 N15 O8 S3 -","- C150 H144 Cl2 Fe4 N30 O16 S6 -","2","0.25","","Luo, Yang-Hui; Yang, Li-Jing; Liu, Qing-Ling; Ling, Yang; Wang, Wei; Sun, Bai-Wang","Lattice water molecules tuned spin-crossover for an iron(ii) complex with thermal hysteresis.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16937","16942","10.1039/c4dt02587c","","","0.71073","MoKα","","0.0832","0.0685","","","0.1461","0.155","","","","","","1.053","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032609","12.3219","0.0015","13.741","0.0017","14.624","0.0018","105.783","0.003","110.076","0.003","106.101","0.003","2041","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H47 Cl4 N9 O4 Pd Ru -","- C37 H47 Cl4 N9 O4 Pd Ru -","- C74 H94 Cl8 N18 O8 Pd2 Ru2 -","2","1","","Dehury, Niranjan; Tripathy, Suman Kumar; Sahoo, Anupam; Maity, Niladri; Patra, Srikanta","Facile tandem Suzuki coupling/transfer hydrogenation reaction with a bis-heteroscorpionate Pd-Ru complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16597","16600","10.1039/c4dt02465f","","","0.71073","MoKα","","0.0676","0.0403","","","0.1094","0.1317","","","","","","0.989","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032610","29.9231","0.0013","13.3754","0.0007","19.42","0.0008","90","","116.047","0.004","90","","6983.1","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H58 Mo8 N24 O37 -","- C40 H46 Mo8 N24 O37 -","- C160 H184 Mo32 N96 O148 -","4","0.5","","Gong, Yun; Yang, Yong Xi; Zhang, Miao Miao; Gao, Xiao Lin; Yin, Jun Li; Lin, Jian Hua","A polyoxometalate-based complex with visible-light photochromism as the electrocatalyst for generating hydrogen from water.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16928","16936","10.1039/c4dt01685h","","","1.54178","CuKα","","0.0657","0.042","","","0.104","0.1182","","","","","","1.061","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032611","9.3047","0.0009","9.5898","0.0009","32.815","0.003","90","","95.167","0.009","90","","2916.2","0.5","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C36 H38 Co2 Mo6 N28 O28 P2 -","- C36 H38 Co2 Mo6 N28 O28 P2 -","- C72 H76 Co4 Mo12 N56 O56 P4 -","2","0.5","","Gong, Yun; Yang, Yong Xi; Zhang, Miao Miao; Gao, Xiao Lin; Yin, Jun Li; Lin, Jian Hua","A polyoxometalate-based complex with visible-light photochromism as the electrocatalyst for generating hydrogen from water.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16928","16936","10.1039/c4dt01685h","","","0.71073","MoKα","","0.1042","0.0619","","","0.1207","0.1431","","","","","","1.038","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032613","8.023","0.005","11.998","0.007","10.752","0.006","90","","90","","90","","1035","1.1","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","Tantalum pentachloride dimethyltelluride","","- C2 H6 Cl5 Ta Te -","- C2 H6 Cl5 Ta Te -","- C8 H24 Cl20 Ta4 Te4 -","4","0.5","","Benjamin, Sophie L.; Chang, Yao-Pang; Gurnani, Chitra; Hector, Andrew L.; Huggon, Michelle; Levason, William; Reid, Gillian","Niobium(v) and tantalum(v) halide chalcogenoether complexes - towards single source CVD precursors for ME2 thin films.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16640","16648","10.1039/c4dt02694b","","","0.71073","MoKα","","0.0681","0.0634","","","0.1581","0.1645","","","","","","1.132","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032614","7.433","0.001","9.1611","0.0012","25.663","0.003","90","","90.217","0.006","90","","1747.5","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl6 Ta Te2 -","- C7 H15 Cl6 Ta Te2 -","- C28 H60 Cl24 Ta4 Te8 -","4","1","","Benjamin, Sophie L.; Chang, Yao-Pang; Gurnani, Chitra; Hector, Andrew L.; Huggon, Michelle; Levason, William; Reid, Gillian","Niobium(v) and tantalum(v) halide chalcogenoether complexes - towards single source CVD precursors for ME2 thin films.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16640","16648","10.1039/c4dt02694b","","x-ray","0.710747","MoKα","","0.2054","0.1048","","","0.1938","0.2439","","","","","","1.0588","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032615","12.437","0.005","17.574","0.003","11.745","0.002","90","","98.859","0.007","90","","2536.5","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","alpha,alpha-bis(ethylthio)-o-xylene di(tantalum pentachloride)","","- C12 H18 Cl10 S2 Ta2 -","- C12 H18 Cl10 S2 Ta2 -","- C48 H72 Cl40 S8 Ta8 -","4","1","","Benjamin, Sophie L.; Chang, Yao-Pang; Gurnani, Chitra; Hector, Andrew L.; Huggon, Michelle; Levason, William; Reid, Gillian","Niobium(v) and tantalum(v) halide chalcogenoether complexes - towards single source CVD precursors for ME2 thin films.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16640","16648","10.1039/c4dt02694b","","","0.71073","MoKα","","0.042","0.0384","","","0.0922","0.0942","","","","","","1.037","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032616","12.4305","0.001","17.5222","0.001","11.703","0.001","90","","99.15","0.007","90","","2516.6","0.3","100","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cl10 Nb2 S2 -","- C12 H18 Cl10 Nb2 S2 -","- C48 H72 Cl40 Nb8 S8 -","4","1","","Benjamin, Sophie L.; Chang, Yao-Pang; Gurnani, Chitra; Hector, Andrew L.; Huggon, Michelle; Levason, William; Reid, Gillian","Niobium(v) and tantalum(v) halide chalcogenoether complexes - towards single source CVD precursors for ME2 thin films.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16640","16648","10.1039/c4dt02694b","","x-ray","0.71073","MoKα","","0.0375","0.0306","","","0.0654","0.0681","","","","","","1.056","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032617","8.9979","0.0004","12.63","0.0006","13.0073","0.0009","61.214","0.004","78.851","0.006","70.715","0.005","1221.78","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H29 Cl2 N2 O2 V -","- C25 H29 Cl2 N2 O2 V -","- C50 H58 Cl4 N4 O4 V2 -","2","1","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark; Wright, Joseph A.; Hughes, David L.; Elsegood, Mark R. J.; Michiue, Kenji; Sun, Xinsen; Redshaw, Carl","Tri- and tetra-dentate imine vanadyl complexes: synthesis, structure and ethylene polymerization/ring opening polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16698","16706","10.1039/c4dt01448k","","","0.71075","MoKα","","0.0526","0.0389","","","0.0915","0.0966","","","","","","1.062","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032618","11.9806","0.0004","10.2865","0.0004","17.9031","0.0012","90","","98.769","0.007","90","","2180.56","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N2 O3 V -","- C25 H29 N2 O3 V -","- C100 H116 N8 O12 V4 -","4","1","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark; Wright, Joseph A.; Hughes, David L.; Elsegood, Mark R. J.; Michiue, Kenji; Sun, Xinsen; Redshaw, Carl","Tri- and tetra-dentate imine vanadyl complexes: synthesis, structure and ethylene polymerization/ring opening polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16698","16706","10.1039/c4dt01448k","","","0.71075","MoKα","","0.0582","0.0535","","","0.156","0.1585","","","","","","1.075","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032619","26.127","0.017","10.845","0.008","26.44","0.02","90","","91.646","0.012","90","","7489","9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26.33 H31 N2.67 O3 V -","- C26.3333 H31 N2.66667 O3 V -","- C316 H372 N32 O36 V12 -","12","3","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark; Wright, Joseph A.; Hughes, David L.; Elsegood, Mark R. J.; Michiue, Kenji; Sun, Xinsen; Redshaw, Carl","Tri- and tetra-dentate imine vanadyl complexes: synthesis, structure and ethylene polymerization/ring opening polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16698","16706","10.1039/c4dt01448k","","","0.71073","MoKα","","0.1764","0.1259","","","0.1698","0.1916","","","","","","1.188","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032620","11.813","0.0004","14.8706","0.0004","17.5707","0.0007","90","","103.12","0.003","90","","3006.01","0.18","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N5 O2 V -","- C33 H33 N5 O2 V -","- C132 H132 N20 O8 V4 -","4","1","","Ma, Jing; Zhao, Ke-Qing; Walton, Mark; Wright, Joseph A.; Hughes, David L.; Elsegood, Mark R. J.; Michiue, Kenji; Sun, Xinsen; Redshaw, Carl","Tri- and tetra-dentate imine vanadyl complexes: synthesis, structure and ethylene polymerization/ring opening polymerization capability.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16698","16706","10.1039/c4dt01448k","","","0.71073","Mo-Kα","","0.1205","0.0557","","","0.0708","0.084","","","","","","1.017","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032621","7.6066","0.001","8.8452","0.0012","13.6965","0.0018","89.149","0.004","73.88","","86.935","0.005","884","0.2","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","PNNiAcrylonitirle","","- C17 H27 N2 Ni P -","- C17 H27 N2 Ni P -","- C34 H54 N4 Ni2 P2 -","2","1","","Greenburg, Zoe R.; Jin, Dong; G Williard, Paul; Bernskoetter, Wesley H.","Nickel promoted functionalization of CO2 to anhydrides and ketoacids.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15990","15996","10.1039/c4dt01221f","","","0.71073","MoKα","","0.1036","0.0641","","","0.145","0.1604","","","","","","1.007","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032622","7.668","0.0004","9.5525","0.0006","15.1227","0.0009","77.602","0.002","87.452","0.002","72.077","0.002","1029.1","0.1","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","PNNiCOD","","- C22 H36 N Ni P -","- C22 H36 N Ni P -","- C44 H72 N2 Ni2 P2 -","2","1","","Greenburg, Zoe R.; Jin, Dong; G Williard, Paul; Bernskoetter, Wesley H.","Nickel promoted functionalization of CO2 to anhydrides and ketoacids.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15990","15996","10.1039/c4dt01221f","","","0.71073","MoKα","","0.0278","0.0253","","","0.0666","0.0681","","","","","","1.059","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032623","8.594","0.006","10.39","0.009","13.017","0.009","91.72","0.02","91.051","0.017","90.39","0.02","1161.6","1.5","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","PNNimethyllactone","","- C22 H38 N Ni O3 P -","- C22 H38 N Ni O3 P -","- C44 H76 N2 Ni2 O6 P2 -","2","1","","Greenburg, Zoe R.; Jin, Dong; G Williard, Paul; Bernskoetter, Wesley H.","Nickel promoted functionalization of CO2 to anhydrides and ketoacids.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15990","15996","10.1039/c4dt01221f","","","0.71073","MoKα","","0.2492","0.1344","","","0.3141","0.3633","","","","","","1.082","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032624","18.8251","0.0009","42.656","0.002","10.6435","0.0005","90","","90","","90","","8546.8","0.7","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C32 H30 Cu2 Mo5 N4 O23 P2 -","- C32 H30 Cu2 Mo5 N4 O23 P2 -","- C256 H240 Cu16 Mo40 N32 O184 P16 -","8","0.5","","Wang, Jian-Ping; Ma, Hong-Xin; Zhang, Lan-Cui; You, Wan-Sheng; Zhu, Zai-Ming","Two Strandberg-type organophosphomolybdates: synthesis, crystal structures and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17172","17176","10.1039/c4dt02571g","","","0.71073","MoKα","","0.0202","0.0189","","","0.0437","0.0442","","","","","","1.037","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032625","17.3158","0.0012","9.8869","0.0007","21.7619","0.0016","90","","102.907","0.001","90","","3631.5","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 Cu2 Mo5 N2 O25 P2 -","- C22 H22 Cu2 Mo5 N2 O25 P2 -","- C88 H88 Cu8 Mo20 N8 O100 P8 -","4","0.5","","Wang, Jian-Ping; Ma, Hong-Xin; Zhang, Lan-Cui; You, Wan-Sheng; Zhu, Zai-Ming","Two Strandberg-type organophosphomolybdates: synthesis, crystal structures and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17172","17176","10.1039/c4dt02571g","","","0.71073","MoKα","","0.0388","0.0267","","","0.0575","0.0614","","","","","","1.036","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032626","12.364","0.0015","15.67","0.0019","15.71","0.002","90","","112.72","0.007","90","","2807.5","0.6","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H43 N5 O Si2 Zn -","- C22 H43 N5 O Si2 Zn -","- C88 H172 N20 O4 Si8 Zn4 -","4","1","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Garcés, Andrés; Lara-Sánchez, Agustín; Rodríguez, Ana M","Enantiopure N,N,O-scorpionate zinc amide and chloride complexes as efficient initiators for the heteroselective ROP of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17090","17100","10.1039/c4dt02178a","","","0.71073","MoKα","","0.1549","0.1116","","","0.268","0.2897","","","","","","1.128","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032627","31.746","0.009","10.76","0.004","21.751","0.008","90","","124.508","0.011","90","","6123","4","230","2","230","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H41 N5 O Si2 Zn -","- C25 H41 N5 O Si2 Zn -","- C200 H328 N40 O8 Si16 Zn8 -","8","1","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Garcés, Andrés; Lara-Sánchez, Agustín; Rodríguez, Ana M","Enantiopure N,N,O-scorpionate zinc amide and chloride complexes as efficient initiators for the heteroselective ROP of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17090","17100","10.1039/c4dt02178a","","","0.71073","MoKα","","0.172","0.0634","","","0.1345","0.182","","","","","","0.861","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032628","11.503","0.005","13.63","0.006","21.074","0.01","86.102","0.015","78.534","0.014","70.531","0.014","3053","2","230","2","230","2","","","","","","","","7","P -1","-P 1","2","","","","- C53.5 H84 Cl N9 O2 Si2 Zn2 -","- C50 H80 Cl N9 O2 Si2 Zn2 -","- C100 H160 Cl2 N18 O4 Si4 Zn4 -","2","1","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Garcés, Andrés; Lara-Sánchez, Agustín; Rodríguez, Ana M","Enantiopure N,N,O-scorpionate zinc amide and chloride complexes as efficient initiators for the heteroselective ROP of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17090","17100","10.1039/c4dt02178a","","","0.71073","MoKα","","0.1501","0.0806","","","0.2161","0.265","","","","","","0.918","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032629","8.16","0.005","21.76","0.005","17.609","0.005","90","","90","","90","","3127","2","180","","180","","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 Mn2 N2 O18 S2 -","- C20 H20 Mn2 N2 O18 S2 -","- C80 H80 Mn8 N8 O72 S8 -","4","1","","Palopoli, Claudia; Duhayon, Carine; Tuchagues, Jean-Pierre; Signorella, Sandra","Synthesis, characterization, and reactivity studies of a water-soluble bis(alkoxo)(carboxylato)-bridged diMn(III) complex modeling the active site in catalase.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17145","17155","10.1039/c4dt01907e","","x-ray","0.71073","MoKα","","0.0905","0.0592","","","0.143","0.165","","","","","","1.001","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032630","8.357","0.0012","8.357","0.0012","23.136","0.005","90","","90","","120","","1399.3","0.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H22 Fe N2 Na O12 -","- C10 H21.96 Fe N1.98 Na O12 -","- C30 H65.88 Fe3 N5.94 Na3 O36 -","3","0.166667","","Mączka, Mirosław; Pietraszko, Adam; Macalik, Lucyna; Sieradzki, Adam; Trzmiel, Justyna; Pikul, Adam","Synthesis and order-disorder transition in a novel metal formate framework of [(CH3)2NH2]Na0.5Fe0.5(HCOO)3].","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17075","17084","10.1039/c4dt02586e","","","0.71073","MoKα","","0.0269","0.0237","","","0.0516","0.052","","","","","","1.368","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032631","8.2617","0.0017","9.0797","0.0018","12.293","0.003","95.37","0.03","90.43","0.03","89.91","0.03","918.1","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H22 Fe N2 Na O12 -","- C10 H22 Fe N2 Na O12 -","- C20 H44 Fe2 N4 Na2 O24 -","2","1","","Mączka, Mirosław; Pietraszko, Adam; Macalik, Lucyna; Sieradzki, Adam; Trzmiel, Justyna; Pikul, Adam","Synthesis and order-disorder transition in a novel metal formate framework of [(CH3)2NH2]Na0.5Fe0.5(HCOO)3].","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17075","17084","10.1039/c4dt02586e","","","0.71073","MoKα","","0.1141","0.0974","","","0.2159","0.2217","","","","","","1.363","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032632","10.891","0.002","10.945","0.002","13.589","0.003","90.011","0.003","100.921","0.003","114.499","0.003","1441.7","0.5","120","0.1","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C28 H37 Mo O4 P S -","- C28 H37 Mo O4 P S -","- C56 H74 Mo2 O8 P2 S2 -","2","1","","Alonso, María; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Nucleophilic behaviour of dioxo- and thiooxophosphorane complexes [MoCp(CO)2{E,P-EP(O)(2,4,6-C6H2(t)Bu3)}](-) (E = O, S).","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16074","16083","10.1039/c4dt01942c","","x-ray","0.71073","MoKα","","0.0267","0.0228","","","0.06","0.0615","","","","","","1.07","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032633","14.947","0.0003","10.0787","0.0002","21.208","0.0004","90","","106.436","0.001","90","","3064.35","0.11","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H43 Mo O3 P S Si -","- C28 H43 Mo O3 P S Si -","- C112 H172 Mo4 O12 P4 S4 Si4 -","4","1","","Alonso, María; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Nucleophilic behaviour of dioxo- and thiooxophosphorane complexes [MoCp(CO)2{E,P-EP(O)(2,4,6-C6H2(t)Bu3)}](-) (E = O, S).","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16074","16083","10.1039/c4dt01942c","","x-ray","1.54184","CuKα","","0.0616","0.0537","","","0.1473","0.1575","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032634","9.7938","0.0013","14.502","0.002","17.625","0.002","88.717","0.007","77.756","0.007","83.607","0.007","2431.1","0.5","110","0.2","110","0.1","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C42 H74 Au2 F6 O2 P4 W2 -","- C42 H74 Au2 F6 O2 P4 W2 -","- C84 H148 Au4 F12 O4 P8 W4 -","2","1","","Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Vega, M. Fernanda","Hydride, gold(i) and related derivatives of the unsaturated ditungsten anion [W2Cp2(μ-PCy2)(μ-CO)2](-).","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16044","16055","10.1039/c4dt01915f","","x-ray","0.71073","MoKα","","0.0733","0.0387","","","0.079","0.0944","","","","","","1.035","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032635","18.1583","0.0016","19.2347","0.0017","51.548","0.004","90","","90","","90","","18004","3","100","","100.01","","","","","","","","Commercially obtained","4","P 21 21 21","P 2ac 2ab","19","Sodium tert-butoxide","Sodium tert-butoxide","","- C24 H54 Na6 O6 -","- C24 H54 Na6 O6 -","- C480 H1080 Na120 O120 -","20","5","","Ostreng, E.; Sønsteby, H H; Oien, S.; Nilsen, O.; Fjellvåg, H","Atomic layer deposition of sodium and potassium oxides: evaluation of precursors and deposition of thin films.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16666","16672","10.1039/c4dt01930j","","x-ray","0.71073","MoKα","","0.0846","0.058","","","0.1414","0.1565","","","","","","1.059","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032636","12.3349","0.0004","14.619","0.0005","13.7257","0.0005","90","","94.045","0.003","90","","2468.91","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Ag2 N8 O6 S2 -","- C18 H12 Ag2 N6 O6 S2 -","- C72 H48 Ag8 N24 O24 S8 -","4","1","","Zhu, Hai-Bin; Wu, Yan-Fang; Zhao, Yue; Hu, Jun","Unprecedented metal-mediated in situ reactions of heterocyclic disulfide of di[4-(pyridin-2-yl)pyrimidinyl]disulfide.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17156","17162","10.1039/c4dt02322f","","","1.54178","CuKα","","0.0813","0.073","","","0.2049","0.2173","","","","","","1.011","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032637","12.3685","0.0009","15.4917","0.0012","12.9541","0.001","90","","111.295","0.001","90","","2312.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl2 Cu N6 O11 -","- C18 H16 Cl2 Cu N6 O11 -","- C72 H64 Cl8 Cu4 N24 O44 -","4","1","","Zhu, Hai-Bin; Wu, Yan-Fang; Zhao, Yue; Hu, Jun","Unprecedented metal-mediated in situ reactions of heterocyclic disulfide of di[4-(pyridin-2-yl)pyrimidinyl]disulfide.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17156","17162","10.1039/c4dt02322f","","","0.71073","MoKα","","0.0642","0.0531","","","0.1558","0.1643","","","","","","1.068","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032638","18.573","0.016","18.573","0.016","31.35","0.05","90","","90","","90","","10814","2","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C20 H22 Cl Co N6 O7 S4 -","- C18 H12 Cl Co N6 O4 S4 -","- C288 H192 Cl16 Co16 N96 O64 S64 -","16","1","","Zhu, Hai-Bin; Wu, Yan-Fang; Zhao, Yue; Hu, Jun","Unprecedented metal-mediated in situ reactions of heterocyclic disulfide of di[4-(pyridin-2-yl)pyrimidinyl]disulfide.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17156","17162","10.1039/c4dt02322f","","","0.71073","MoKα","","0.1386","0.1186","","","0.2553","0.2626","","","","","","1.187","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032639","7.36","0.004","17.468","0.009","17.955","0.009","63.248","0.005","82.315","0.006","86.261","0.006","2042.7","1.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Cu2 I N6 S2 -","- C18 H12 Cu2 I N6 S2 -","- C72 H48 Cu8 I4 N24 S8 -","4","2","","Zhu, Hai-Bin; Wu, Yan-Fang; Zhao, Yue; Hu, Jun","Unprecedented metal-mediated in situ reactions of heterocyclic disulfide of di[4-(pyridin-2-yl)pyrimidinyl]disulfide.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17156","17162","10.1039/c4dt02322f","","","0.71073","MoKα","","0.0469","0.0381","","","0.116","0.1244","","","","","","0.998","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7032640","12.0042","0.0002","14.6854","0.0003","18.3859","0.0003","94.749","0.001","95.553","0.001","105.146","0.001","3094.15","0.1","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C65.4 H72.2 N4 Ni4 O12.7 -","- C65.4 H63 N4 Ni4 O12.7 -","- C130.8 H126 N8 Ni8 O25.4 -","2","1","","Perlepe, Panagiota S.; Athanasopoulou, Angeliki A.; Alexopoulou, Konstantina I.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Stamatatos, Theocharis C.","Structural and magnetic variations in tetranuclear Ni(II) clusters: the effect of the reaction solvent and ligand substitution on product identity.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16605","16609","10.1039/c4dt02434f","","","1.54178","CuKα","","0.0824","0.0639","","","0.1741","0.2073","","","","","","1.132","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032641","11.3987","0.0002","11.9871","0.0002","12.9916","0.0002","63.724","0.001","82.282","0.001","81.803","0.001","1570.38","0.05","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H72 N8 Ni4 O12 -","- C68 H72 N8 Ni4 O12 -","- C68 H72 N8 Ni4 O12 -","1","0.5","","Perlepe, Panagiota S.; Athanasopoulou, Angeliki A.; Alexopoulou, Konstantina I.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Stamatatos, Theocharis C.","Structural and magnetic variations in tetranuclear Ni(II) clusters: the effect of the reaction solvent and ligand substitution on product identity.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16605","16609","10.1039/c4dt02434f","","","1.54178","CuKα","","0.0542","0.0412","","","0.1035","0.1146","","","","","","1.09","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032642","11.0498","0.0006","11.4157","0.0006","17.5861","0.001","99.067","0.002","94.192","0.003","113.463","0.002","1986.76","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H92 Cl4 N4 Ni4 O22 -","- C76 H92 Cl4 N4 Ni4 O22 -","- C76 H92 Cl4 N4 Ni4 O22 -","1","0.5","","Perlepe, Panagiota S.; Athanasopoulou, Angeliki A.; Alexopoulou, Konstantina I.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Stamatatos, Theocharis C.","Structural and magnetic variations in tetranuclear Ni(II) clusters: the effect of the reaction solvent and ligand substitution on product identity.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16605","16609","10.1039/c4dt02434f","","","0.71073","MoKα","","0.0369","0.0326","","","0.0732","0.0752","","","","","","1.076","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032643","11.7747","0.0005","15.2659","0.0005","14.3648","0.0006","90","","108.979","0.004","90","","2441.72","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N12 O5 S Zn2 -","- C20 H16 N12 O5 S Zn2 -","- C80 H64 N48 O20 S4 Zn8 -","4","1","","Zhang, Miao Miao; Gong, Yun; Zhang, Pan; Shi, Hui Fang; Lin, Jian Hua","An acid-stable Zn(ii) complex: electrodeposition in sulfuric acid and the effect on the zinc-lead dioxide battery.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17129","17135","10.1039/c4dt02338b","","","0.71073","MoKα","","0.0351","0.0293","","","0.0706","0.0741","","","","","","1.042","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032644","7.2259","0.0002","18.6983","0.0006","15.142","0.0006","90","","93.144","0.003","90","","2042.79","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N12 O Zn2 -","- C20 H14 N12 O Zn2 -","- C40 H28 N24 O2 Zn4 -","2","0.5","","Zhang, Miao Miao; Gong, Yun; Zhang, Pan; Shi, Hui Fang; Lin, Jian Hua","An acid-stable Zn(ii) complex: electrodeposition in sulfuric acid and the effect on the zinc-lead dioxide battery.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17129","17135","10.1039/c4dt02338b","","","0.71073","MoKα","","0.0465","0.0419","","","0.1444","0.1479","","","","","","1.091","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032645","23.249","0.003","20.772","0.003","35.211","0.005","90","","108.444","0.002","90","","16131","4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","2a","","- C46 H52 Cl4.66667 F6 Ir2 N4 O6 S2 -","- C45.3333 H50.6667 Cl3.33333 F6 Ir2 N4 O6 S2 -","- C544 H608 Cl40 F72 Ir24 N48 O72 S24 -","12","1.5","","Shen, Xu-Yu; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Construction of iridium and rhodium cyclometalated macrocycles based on p-carborane and N,N'-donor bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17200","17208","10.1039/c4dt02495h","","","0.71073","MoKα","","0.1003","0.0709","","","0.1685","0.1804","","","","","","1.061","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7032646","17.7262","0.0018","25.171","0.003","27.215","0.003","90","","95.667","0.002","90","","12084","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","3a","","- C95 H138 B20 F12 Ir4 N8 O28 S4 -","- C88 H108 B20 F12 Ir4 N8 O24 S4 -","- C352 H432 B80 F48 Ir16 N32 O96 S16 -","4","1","","Shen, Xu-Yu; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Construction of iridium and rhodium cyclometalated macrocycles based on p-carborane and N,N'-donor bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17200","17208","10.1039/c4dt02495h","","","0.71073","MoKα","","0.1265","0.0633","","","0.1457","0.1705","","","","","","0.911","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032647","8.9099","0.0007","10.7092","0.0008","11.8825","0.0009","90.031","0.001","95.871","0.001","91.707","0.001","1127.35","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","2b","","- C40 H44 Cl2 F6 N4 O6 Rh2 S2 -","- C40 H44 Cl2 F6 N4 O6 Rh2 S2 -","- C40 H44 Cl2 F6 N4 O6 Rh2 S2 -","1","0.5","","Shen, Xu-Yu; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Construction of iridium and rhodium cyclometalated macrocycles based on p-carborane and N,N'-donor bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17200","17208","10.1039/c4dt02495h","","","0.71073","MoKα","","0.0421","0.0347","","","0.0865","0.1017","","","","","","1.084","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032648","18.5981","0.0019","40.947","0.005","16.9617","0.0018","90","","104.947","0.002","90","","12480","2","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","3b","","- C90 H120 B20 F12 N8 O24 Rh4 S4 -","- C88 H108 B20 F12 N8 O20 Rh4 S4 -","- C352 H432 B80 F48 N32 O80 Rh16 S16 -","4","0.5","","Shen, Xu-Yu; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Construction of iridium and rhodium cyclometalated macrocycles based on p-carborane and N,N'-donor bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17200","17208","10.1039/c4dt02495h","","","0.71073","MoKα","","0.1184","0.087","","","0.2488","0.2797","","","","","","1.078","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032649","13.1486","0.0014","18.488","0.002","30.333","0.003","90","","102.403","0.002","90","","7201.6","1.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","4b","","- C102 H164 B20 F12 N8 O34 Rh4 S4 -","- C96 H124 B20 F12 N8 O24 Rh4 S4 -","- C192 H248 B40 F24 N16 O48 Rh8 S8 -","2","0.5","","Shen, Xu-Yu; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Construction of iridium and rhodium cyclometalated macrocycles based on p-carborane and N,N'-donor bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17200","17208","10.1039/c4dt02495h","","","0.71073","MoKα","","0.1591","0.0998","","","0.2777","0.3085","","","","","","1.015","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032650","11.849","0.003","16.951","0.004","17.367","0.004","74.651","0.003","79.539","0.003","88.193","0.003","3307.4","1.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","5b","","- C100 H128 B20 F12 N8 O24 Rh4 S4 -","- C94 H110 B20 N8 O10 Rh4 -","- C94 H110 B20 N8 O10 Rh4 -","1","0.5","","Shen, Xu-Yu; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Construction of iridium and rhodium cyclometalated macrocycles based on p-carborane and N,N'-donor bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17200","17208","10.1039/c4dt02495h","","","0.71073","MoKα","","0.1576","0.0968","","","0.2715","0.3098","","","","","","0.976","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032651","18.28","0.009","42.77","0.03","9.005","0.005","90","","90","","90","","7040","7","100","2","100","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C35 H32 B2 F8 N4 O2 Ru S2 -","- C35 H32 B2 F8 N4 O2 Ru S2 -","- C280 H256 B16 F64 N32 O16 Ru8 S16 -","8","0.5","","King, Albert W.; Malizia, Jason P.; Engle, James T.; Ziegler, Christopher J.; Rack, Jeffrey J.","Ultrafast spectroscopy and structural characterization of a photochromic isomerizing ruthenium bis-sulfoxide complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17847","17855","10.1039/c4dt01402b","","","0.71073","MoKα","","0.0235","0.0231","","","0.059","0.0592","","","","","","1.04","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032652","13.534","0.007","19.469","0.01","14.094","0.007","90","","99.475","0.006","90","","3663","3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H32 F12 N4 P2 Ru S2 -","- C35 H32 F12 N4 P2 Ru S2 -","- C140 H128 F48 N16 P8 Ru4 S8 -","4","2","","King, Albert W.; Malizia, Jason P.; Engle, James T.; Ziegler, Christopher J.; Rack, Jeffrey J.","Ultrafast spectroscopy and structural characterization of a photochromic isomerizing ruthenium bis-sulfoxide complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17847","17855","10.1039/c4dt01402b","","","0.71073","MoKα","","0.0454","0.0412","","","0.0852","0.0917","","","","","","1.19","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032653","11.8339","0.0011","21.296","0.002","17.1916","0.0017","90","","102.959","0.001","90","","4222.2","0.7","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H63 Mo N2 O3 Si2 -","- C43 H63 Mo N2 O3 Si2 -","- C172 H252 Mo4 N8 O12 Si8 -","4","1","","Muraoka, Takako; Abe, Keisuke; Kimura, Haruhiko; Haga, Youhei; Ueno, Keiji; Sunada, Yusuke","Synthesis, structures, and reactivity of the base-stabilized silanone molybdenum complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16610","16613","10.1039/c4dt02159b","","","0.71075","MoKα","","0.055","0.042","","","0.0989","0.1064","","","","","","1.053","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032654","11.73","0.02","11.98","0.03","15.85","0.06","99.65","0.09","91.68","0.08","97.94","0.09","2172","11","175","2","175","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H59 Mo N O4 Si2 -","- C45 H59 Mo N O4 Si2 -","- C90 H118 Mo2 N2 O8 Si4 -","2","1","","Muraoka, Takako; Abe, Keisuke; Kimura, Haruhiko; Haga, Youhei; Ueno, Keiji; Sunada, Yusuke","Synthesis, structures, and reactivity of the base-stabilized silanone molybdenum complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16610","16613","10.1039/c4dt02159b","","","0.71073","MoKα","","0.1302","0.1162","","","0.3162","0.3296","","","","","","1.17","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032655","8.8649","0.001","9.3915","0.001","15.3505","0.0015","100.209","0.002","96.929","0.002","110.704","0.003","1153","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Mo N2 O2 Si -","- C22 H34 Mo N2 O2 Si -","- C44 H68 Mo2 N4 O4 Si2 -","2","1","","Muraoka, Takako; Abe, Keisuke; Kimura, Haruhiko; Haga, Youhei; Ueno, Keiji; Sunada, Yusuke","Synthesis, structures, and reactivity of the base-stabilized silanone molybdenum complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16610","16613","10.1039/c4dt02159b","","","0.71073","MoKα","","0.0287","0.0284","","","0.0743","0.0745","","","","","","1.152","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032656","43.6","0.05","8.783","0.009","18.47","0.02","90","","103.27","0.02","90","","6884","13","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H42 Cl3 N3 O Pd -","- C37 H42 Cl3 N3 O Pd -","- C296 H336 Cl24 N24 O8 Pd8 -","8","1","","Dang, Liang; Guo, Jing; Song, Haibin; Liu, Binyuan; Wang, Baiquan","Synthesis, structures, and norbornene polymerization behavior of C(sp(3)), N-chelated palladacycles bearing o-aryloxide-N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17177","17183","10.1039/c4dt02198c","","","0.71073","MoKα","","0.0726","0.0645","","","0.2005","0.2087","","","","","","0.98","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032657","15.043","0.004","9.959","0.003","18.77","0.005","90","","94.82","0.004","90","","2802.1","1.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 N3 O Pd -","- C33 H35 N3 O Pd -","- C132 H140 N12 O4 Pd4 -","4","1","","Dang, Liang; Guo, Jing; Song, Haibin; Liu, Binyuan; Wang, Baiquan","Synthesis, structures, and norbornene polymerization behavior of C(sp(3)), N-chelated palladacycles bearing o-aryloxide-N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17177","17183","10.1039/c4dt02198c","","","0.71073","MoKα","","0.0428","0.0359","","","0.0828","0.0867","","","","","","1.059","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032658","16.518","0.003","13.5","0.003","26.535","0.005","90","","101.11","0.03","90","","5806","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30.63 H37.5 N3 O Pd -","- C30.625 H36 N3 O Pd -","- C245 H288 N24 O8 Pd8 -","8","2","","Dang, Liang; Guo, Jing; Song, Haibin; Liu, Binyuan; Wang, Baiquan","Synthesis, structures, and norbornene polymerization behavior of C(sp(3)), N-chelated palladacycles bearing o-aryloxide-N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17177","17183","10.1039/c4dt02198c","","","0.71073","MoKα","","0.0739","0.0537","","","0.1416","0.1566","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032659","10.217","0.002","16.494","0.003","18.475","0.004","101.68","0.03","90.47","0.03","91.58","0.03","3047.5","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 N3 O Pd -","- C34 H46 N3 O Pd -","- C136 H184 N12 O4 Pd4 -","4","2","","Dang, Liang; Guo, Jing; Song, Haibin; Liu, Binyuan; Wang, Baiquan","Synthesis, structures, and norbornene polymerization behavior of C(sp(3)), N-chelated palladacycles bearing o-aryloxide-N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17177","17183","10.1039/c4dt02198c","","","0.71073","MoKα","","0.0859","0.0597","","","0.1521","0.1665","","","","","","1.017","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032660","18.6833","0.0003","15.8983","0.0003","23.6944","0.0004","90","","94.548","0.002","90","","7015.9","0.2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Ru complexes","","- C68 H40 Cl4 N16 O16 Ru2 S4 -","- C68 H40 Cl4 N16 O16 Ru2 S4 -","- C272 H160 Cl16 N64 O64 Ru8 S16 -","4","0.5","","Du, Kejie; Liang, Jiewen; Wang, Yi; Kou, Junfeng; Qian, Chen; Ji, Liangnian; Chao, Hui","Dual inhibition of topoisomerases I and IIα by ruthenium(ii) complexes containing asymmetric tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17303","17316","10.1039/c4dt02142h","","","1.54178","CuKα","","0.0599","0.0554","","","0.161","0.1663","","","","","","1.072","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032661","12.006","0.002","12.472","0.003","15.858","0.003","108.327","0.003","95.192","0.003","112.091","0.003","2029","0.7","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H26 Cl2 N10 O8 Ru S2 -","- C40 H20 Cl2 N10 O8 Ru S2 -","- C80 H40 Cl4 N20 O16 Ru2 S4 -","2","1","","Du, Kejie; Liang, Jiewen; Wang, Yi; Kou, Junfeng; Qian, Chen; Ji, Liangnian; Chao, Hui","Dual inhibition of topoisomerases I and IIα by ruthenium(ii) complexes containing asymmetric tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17303","17316","10.1039/c4dt02142h","","","0.71073","MoKα","","0.0468","0.0379","","","0.1015","0.1101","","","","","","1.044","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032662","12.052","0.002","12.336","0.003","16.06","0.003","97.37","0.03","109.39","0.03","109.22","0.03","2049.7","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H28 Cl2 N10 O8 Ru S2 -","- C42 H28 Cl2 N10 O8 Ru S2 -","- C84 H56 Cl4 N20 O16 Ru2 S4 -","2","1","","Du, Kejie; Liang, Jiewen; Wang, Yi; Kou, Junfeng; Qian, Chen; Ji, Liangnian; Chao, Hui","Dual inhibition of topoisomerases I and IIα by ruthenium(ii) complexes containing asymmetric tridentate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17303","17316","10.1039/c4dt02142h","","","0.71073","MoKα","","0.0994","0.05","","","0.1199","0.1664","","","","","","1.004","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032663","9.8719","0.0015","7.9597","0.0012","34.729","0.005","90","","90","","90","","2728.9","0.7","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C6 H12 Cl12 Mo4 O10 -","- C6 H12 Cl12 Mo4 O10 -","- C24 H48 Cl48 Mo16 O40 -","4","0.25","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Oxido-molybdenum complexes obtained by Cl/O interchange between MoCl5 and carboxylic acids: a crystallographic, spectroscopic and computational study.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16416","16423","10.1039/c4dt02201g","","","0.71073","MoKα","","0.0277","0.0275","","","0.0635","0.0635","","","","","","1.337","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032664","5.9376","0.0017","7.406","0.002","12.038","0.004","83.082","0.003","88.495","0.003","75.691","0.003","509.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H2 Cl12 Mo2 O6 -","- C4 H2 Cl12 Mo2 O6 -","- C4 H2 Cl12 Mo2 O6 -","1","0.5","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Oxido-molybdenum complexes obtained by Cl/O interchange between MoCl5 and carboxylic acids: a crystallographic, spectroscopic and computational study.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16416","16423","10.1039/c4dt02201g","","","0.71073","MoKα","","0.0477","0.0434","","","0.1149","0.1183","","","","","","1.06","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032665","12.1417","0.0004","14.0807","0.0004","14.7208","0.0004","112.334","0.001","106.426","0.001","93.741","0.001","2190.2","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","1","","","- C23 H14 Au Cl2 F3 N P -","- C23 H14 Au Cl2 F3 N P -","- C92 H56 Au4 Cl8 F12 N4 P4 -","4","2","","Catalano, Vincent J.; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Pascual, David","Copper(i)-assisted red-shifted phosphorescence in Au(i)Cu(i) heteropolynuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16486","16497","10.1039/c4dt02154a","","","0.71073","MoKα","","0.0416","0.0286","","","0.0513","0.054","","","","","","1.003","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7032666","24.6243","0.0007","12.2228","0.0004","17.6926","0.0009","90","","123.8","","90","","4425.1","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2","","","- C48 H26 Au2 Cl4 F6 N2 P2 -","- C48 H26 Au2 Cl4 F6 N2 P2 -","- C192 H104 Au8 Cl16 F24 N8 P8 -","4","0.5","","Catalano, Vincent J.; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Pascual, David","Copper(i)-assisted red-shifted phosphorescence in Au(i)Cu(i) heteropolynuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16486","16497","10.1039/c4dt02154a","","","0.71073","MoKα","","0.0457","0.0279","","","0.047","0.05","","","","","","1.007","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032667","10.3133","0.0003","13.8966","0.0005","16.536","0.0006","90.076","0.001","95.019","0.001","104.846","0.001","2281.35","0.13","100","2","100","2","","","","","","","","9","P -1","-P 1","2","3","","","- C46 H28 Au2 B Cl4 Cu F10 N2 P2 -","- C46 H28 Au2 B Cl4 Cu F10 N2 P2 -","- C92 H56 Au4 B2 Cl8 Cu2 F20 N4 P4 -","2","1","","Catalano, Vincent J.; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Pascual, David","Copper(i)-assisted red-shifted phosphorescence in Au(i)Cu(i) heteropolynuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16486","16497","10.1039/c4dt02154a","","","0.71073","MoKα","","0.0547","0.0372","","","0.0808","0.085","","","","","","1.081","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032668","8.693","0.0003","14.8328","0.0005","20.3022","0.0006","80.559","0.001","86.516","0.001","88.464","0.001","2577.19","0.15","100","2","100","2","","","","","","","","9","P -1","-P 1","2","4","","","- C50.5 H29 Au2 B Cl5 Cu F10 N3 P2 -","- C50.5 H29 Au2 B Cl5 Cu F10 N3 P2 -","- C101 H58 Au4 B2 Cl10 Cu2 F20 N6 P4 -","2","1","","Catalano, Vincent J.; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Pascual, David","Copper(i)-assisted red-shifted phosphorescence in Au(i)Cu(i) heteropolynuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16486","16497","10.1039/c4dt02154a","","","0.71073","MoKα","","0.019","0.0159","","","0.0362","0.0369","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032669","11.286","0.003","26.99","0.008","12.817","0.004","90","","98.722","0.005","90","","3859","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31.25 H33 Gd N5 Ni O16.25 -","- C31.25 H33 Gd N5 Ni O16.25 -","- C125 H132 Gd4 N20 Ni4 O65 -","4","1","","Ahmed, Naushad; Das, Chinmoy; Vaidya, Shefali; Srivastava, Anant Kumar; Langley, Stuart K.; Murray, Keith S.; Shanmugam, Maheswaran","Probing the magnetic and magnetothermal properties of M(ii)-Ln(iii) complexes (where M(ii) = Ni or Zn; Ln(iii) = La or Pr or Gd).","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17375","17384","10.1039/c4dt02360a","","","0.71073","MoKα","","0.0806","0.0727","","","0.1829","0.1948","","","","","","1.136","","","","has coordinates,has disorder","198676","2020-10-21","18:00:00",""
"7032670","11.303","0.002","27.142","0.005","12.804","0.003","90","","98.45","0.03","90","","3885.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31.25 H33.5 N5 Ni O16.5 Pr -","- C31.25 H32 N5 Ni O16.5 Pr -","- C125 H128 N20 Ni4 O66 Pr4 -","4","1","","Ahmed, Naushad; Das, Chinmoy; Vaidya, Shefali; Srivastava, Anant Kumar; Langley, Stuart K.; Murray, Keith S.; Shanmugam, Maheswaran","Probing the magnetic and magnetothermal properties of M(ii)-Ln(iii) complexes (where M(ii) = Ni or Zn; Ln(iii) = La or Pr or Gd).","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17375","17384","10.1039/c4dt02360a","","","0.71073","MoKα","","0.0681","0.0523","","","0.1399","0.1494","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032671","20.056","0.005","14.595","0.003","24.624","0.006","90","","102.582","0.003","90","","7035","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H56 La N7 Ni2 O21 -","- C60 H56 La N7 Ni2 O21 -","- C240 H224 La4 N28 Ni8 O84 -","4","1","","Ahmed, Naushad; Das, Chinmoy; Vaidya, Shefali; Srivastava, Anant Kumar; Langley, Stuart K.; Murray, Keith S.; Shanmugam, Maheswaran","Probing the magnetic and magnetothermal properties of M(ii)-Ln(iii) complexes (where M(ii) = Ni or Zn; Ln(iii) = La or Pr or Gd).","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17375","17384","10.1039/c4dt02360a","","","0.71073","MoKα","","0.1005","0.0793","","","0.2433","0.2696","","","","","","1.072","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032672","12.714","0.003","13.2","0.003","21.782","0.006","85.876","0.012","87.692","0.012","61.678","0.005","3209.6","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H60 Gd N7 O22 Zn2 -","- C61 H60 Gd N7 O22 Zn2 -","- C122 H120 Gd2 N14 O44 Zn4 -","2","1","","Ahmed, Naushad; Das, Chinmoy; Vaidya, Shefali; Srivastava, Anant Kumar; Langley, Stuart K.; Murray, Keith S.; Shanmugam, Maheswaran","Probing the magnetic and magnetothermal properties of M(ii)-Ln(iii) complexes (where M(ii) = Ni or Zn; Ln(iii) = La or Pr or Gd).","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17375","17384","10.1039/c4dt02360a","","","0.7107","MoKα","","0.0526","0.0443","","","0.0988","0.1047","","","","","","1.072","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032673","12.809","0.007","13.227","0.007","21.704","0.01","92.342","0.004","91.904","0.006","118.684","0.007","3217","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61.25 H61 N7 O22.25 Pr Zn2 -","- C61.25 H56 N7 O22.25 Pr Zn2 -","- C122.5 H112 N14 O44.5 Pr2 Zn4 -","2","1","","Ahmed, Naushad; Das, Chinmoy; Vaidya, Shefali; Srivastava, Anant Kumar; Langley, Stuart K.; Murray, Keith S.; Shanmugam, Maheswaran","Probing the magnetic and magnetothermal properties of M(ii)-Ln(iii) complexes (where M(ii) = Ni or Zn; Ln(iii) = La or Pr or Gd).","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17375","17384","10.1039/c4dt02360a","","","0.7107","MoKα","","0.0943","0.0794","","","0.2086","0.2291","","","","","","1.087","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032674","10.5196","0.0018","12.168","0.002","16.446","0.003","90","","94.987","0.004","90","","2097.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 Mn2 O6 S4 -","- C18 H8 Mn2 O6 S4 -","- C72 H32 Mn8 O24 S16 -","4","1","","Hou, Kaipeng; Fan, Wai Yip","Electrocatalytic proton reduction catalyzed by a dimanganese disulfide carbonyl complex containing a redox-active internal disulfide bond.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","16977","16980","10.1039/c4dt02361g","","","0.71073","MoKα","","0.0307","0.0279","","","0.0662","0.0675","","","","","","1.041","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032675","16.616","0.003","6.6445","0.0013","18.857","0.008","90","","119.8","0.02","90","","1806.6","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 La N O12 -","- C15 H14 La N O12 -","- C60 H56 La4 N4 O48 -","4","1","","You, Li-Xin; Wang, Shu-Ju; Xiong, Gang; Ding, Fu; Meert, Katrien W.; Poelman, Dirk; Smet, Philippe F.; Ren, Bao-Yi; Tian, Yan-Wen; Sun, Ya-Guang","Synthesis, structure and properties of 2D lanthanide coordination polymers based on N-heterocyclic arylpolycarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17385","17394","10.1039/c4dt02517b","","","0.71073","MoKα","","0.0301","0.027","","","0.0651","0.067","","","","","","1.052","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032676","6.963","0.0014","10.796","0.002","12.32","0.003","69.7","0.03","87.5","0.03","79.76","0.03","854.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O23 Sm2 -","- C30 H26 N2 O23 Sm2 -","- C30 H26 N2 O23 Sm2 -","1","0.5","","You, Li-Xin; Wang, Shu-Ju; Xiong, Gang; Ding, Fu; Meert, Katrien W.; Poelman, Dirk; Smet, Philippe F.; Ren, Bao-Yi; Tian, Yan-Wen; Sun, Ya-Guang","Synthesis, structure and properties of 2D lanthanide coordination polymers based on N-heterocyclic arylpolycarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17385","17394","10.1039/c4dt02517b","","","0.71073","MoKα","","0.0374","0.0353","","","0.0878","0.0888","","","","","","1.109","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032677","6.92","0.0014","10.76","0.002","12.246","0.002","69.62","0.03","87.57","0.03","79.86","0.03","841.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Eu2 N2 O23 -","- C30 H26 Eu2 N2 O23 -","- C30 H26 Eu2 N2 O23 -","1","0.5","","You, Li-Xin; Wang, Shu-Ju; Xiong, Gang; Ding, Fu; Meert, Katrien W.; Poelman, Dirk; Smet, Philippe F.; Ren, Bao-Yi; Tian, Yan-Wen; Sun, Ya-Guang","Synthesis, structure and properties of 2D lanthanide coordination polymers based on N-heterocyclic arylpolycarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17385","17394","10.1039/c4dt02517b","","","0.71073","MoKα","","0.0614","0.0513","","","0.1218","0.1319","","","","","","1.038","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032678","14.467","0.003","7.252","0.0015","20.749","0.007","90","","126.16","0.02","90","","1757.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Gd N O12 -","- C15 H14 Gd N O12 -","- C60 H56 Gd4 N4 O48 -","4","1","","You, Li-Xin; Wang, Shu-Ju; Xiong, Gang; Ding, Fu; Meert, Katrien W.; Poelman, Dirk; Smet, Philippe F.; Ren, Bao-Yi; Tian, Yan-Wen; Sun, Ya-Guang","Synthesis, structure and properties of 2D lanthanide coordination polymers based on N-heterocyclic arylpolycarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17385","17394","10.1039/c4dt02517b","","","0.71073","MoKα","","0.0345","0.0305","","","0.0701","0.0729","","","","","","1.037","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032679","14.448","0.003","7.1938","0.0014","20.63","0.007","90","","126.15","0.02","90","","1731.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N O12 Tb -","- C15 H14 N O12 Tb -","- C60 H56 N4 O48 Tb4 -","4","1","","You, Li-Xin; Wang, Shu-Ju; Xiong, Gang; Ding, Fu; Meert, Katrien W.; Poelman, Dirk; Smet, Philippe F.; Ren, Bao-Yi; Tian, Yan-Wen; Sun, Ya-Guang","Synthesis, structure and properties of 2D lanthanide coordination polymers based on N-heterocyclic arylpolycarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17385","17394","10.1039/c4dt02517b","","","0.71073","MoKα","","0.062","0.0507","","","0.1263","0.1366","","","","","","1.052","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032680","14.496","0.003","7.199","0.0014","20.714","0.007","90","","126.33","0.02","90","","1741.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Dy N O12 -","- C15 H14 Dy N O12 -","- C60 H56 Dy4 N4 O48 -","4","1","","You, Li-Xin; Wang, Shu-Ju; Xiong, Gang; Ding, Fu; Meert, Katrien W.; Poelman, Dirk; Smet, Philippe F.; Ren, Bao-Yi; Tian, Yan-Wen; Sun, Ya-Guang","Synthesis, structure and properties of 2D lanthanide coordination polymers based on N-heterocyclic arylpolycarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17385","17394","10.1039/c4dt02517b","","","0.71073","MoKα","","0.0269","0.0246","","","0.0579","0.0593","","","","","","1.076","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032681","14.476","0.003","7.181","0.0014","20.617","0.007","90","","126.13","0.02","90","","1731","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Ho N O12 -","- C15 H14 Ho N O12 -","- C60 H56 Ho4 N4 O48 -","4","1","","You, Li-Xin; Wang, Shu-Ju; Xiong, Gang; Ding, Fu; Meert, Katrien W.; Poelman, Dirk; Smet, Philippe F.; Ren, Bao-Yi; Tian, Yan-Wen; Sun, Ya-Guang","Synthesis, structure and properties of 2D lanthanide coordination polymers based on N-heterocyclic arylpolycarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17385","17394","10.1039/c4dt02517b","","","0.71073","MoKα","","0.0383","0.0308","","","0.0657","0.0695","","","","","","1.072","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032682","14.58","0.003","7.188","0.0014","20.756","0.007","90","","126.16","0.02","90","","1756.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Er N O12 -","- C15 H14 Er N O12 -","- C60 H56 Er4 N4 O48 -","4","1","","You, Li-Xin; Wang, Shu-Ju; Xiong, Gang; Ding, Fu; Meert, Katrien W.; Poelman, Dirk; Smet, Philippe F.; Ren, Bao-Yi; Tian, Yan-Wen; Sun, Ya-Guang","Synthesis, structure and properties of 2D lanthanide coordination polymers based on N-heterocyclic arylpolycarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17385","17394","10.1039/c4dt02517b","","","0.71073","MoKα","","0.0501","0.0454","","","0.1185","0.1232","","","","","","1","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032683","12.142","0.0005","13.372","0.0005","14.1654","0.0006","62.55","0.002","80.916","0.002","71.263","0.002","1932.69","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H106 Co4 N2 O24 -","- C64 H104 Co4 N2 O24 -","- C64 H104 Co4 N2 O24 -","1","0.5","","Tirfoin, Rémi; Chamoreau, Lise-Marie; Li, Yanling; Fleury, Benoit; Lisnard, Laurent; Journaux, Yves","Synthesis, structure and magnetic properties of phenylhydroxamate-based coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16805","16817","10.1039/c4dt02405b","","","0.71073","MoKα","","0.0618","0.0528","","","0.1549","0.1628","","","","","","1.042","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032684","11.8753","0.0004","13.2048","0.0004","13.8854","0.0005","62.403","0.001","82.791","0.001","69.928","0.001","1810.99","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H100 N4 Ni4 O22 -","- C60 H100 N4 Ni4 O22 -","- C60 H100 N4 Ni4 O22 -","1","0.5","","Tirfoin, Rémi; Chamoreau, Lise-Marie; Li, Yanling; Fleury, Benoit; Lisnard, Laurent; Journaux, Yves","Synthesis, structure and magnetic properties of phenylhydroxamate-based coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16805","16817","10.1039/c4dt02405b","","","0.71073","MoKα","","0.0657","0.0446","","","0.1185","0.13","","","","","","1.023","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032685","10.9832","0.0002","12.717","0.0002","13.1082","0.0003","114.643","0.001","98.68","0.001","106.364","0.001","1519.21","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H82 Co4 N2 O20 -","- C48 H82 Co4 N2 O20 -","- C48 H82 Co4 N2 O20 -","1","0.5","","Tirfoin, Rémi; Chamoreau, Lise-Marie; Li, Yanling; Fleury, Benoit; Lisnard, Laurent; Journaux, Yves","Synthesis, structure and magnetic properties of phenylhydroxamate-based coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16805","16817","10.1039/c4dt02405b","","","0.71073","MoKα","","0.0425","0.0309","","","0.0795","0.0865","","","","","","1.015","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032686","26.774","0.002","13.9634","0.0011","25.5093","0.0018","90","","102.481","0.002","90","","9311.4","1.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H120 Co6 N4 O28 -","- C76 H116 Co6 N4 O28 -","- C304 H464 Co24 N16 O112 -","4","0.5","","Tirfoin, Rémi; Chamoreau, Lise-Marie; Li, Yanling; Fleury, Benoit; Lisnard, Laurent; Journaux, Yves","Synthesis, structure and magnetic properties of phenylhydroxamate-based coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16805","16817","10.1039/c4dt02405b","","","0.71073","MoKα","","0.0762","0.0398","","","0.0871","0.1008","","","","","","1.001","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032694","13.279","0.013","17.841","0.017","22.19","0.02","90","","90.39","0.018","90","","5257","9","260","2","260","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H86 N10 Nb2 O -","- C46 H86 N10 Nb2 O -","- C184 H344 N40 Nb8 O4 -","4","1","","Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; López-Solera, Isabel; Fernández-Galán, Rafael; Villaseñor, Elena","Mixed amido-/imido-/guanidinato niobium complexes: synthesis and the effect of ligands on insertion reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17434","17444","10.1039/c4dt01975j","","","0.71073","MoKα","","0.2973","0.0838","","","0.1742","0.276","","","","","","0.849","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032695","22.658","0.005","9.5025","0.0017","17.34","0.004","90","","128.288","0.011","90","","2930.4","1.2","260","2","260","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H49 N6 Nb -","- C25 H49 N6 Nb -","- C100 H196 N24 Nb4 -","4","1","","Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; López-Solera, Isabel; Fernández-Galán, Rafael; Villaseñor, Elena","Mixed amido-/imido-/guanidinato niobium complexes: synthesis and the effect of ligands on insertion reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17434","17444","10.1039/c4dt01975j","","","0.71073","MoKα","","0.1382","0.0523","","","0.094","0.1206","","","","","","0.943","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032696","11.1088","0.0004","16.4664","0.0006","18.0246","0.0007","90","","91.968","0.002","90","","3295.2","0.2","260","2","260","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H51 N6 Nb S2 -","- C27 H51 N6 Nb S2 -","- C108 H204 N24 Nb4 S8 -","4","1","","Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; López-Solera, Isabel; Fernández-Galán, Rafael; Villaseñor, Elena","Mixed amido-/imido-/guanidinato niobium complexes: synthesis and the effect of ligands on insertion reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17434","17444","10.1039/c4dt01975j","","","0.71073","MoKα","","0.1862","0.069","","","0.158","0.2198","","","","","","0.937","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032697","37.6","0.003","18.2991","0.0017","14.16","0.0012","90","","101.491","0.002","90","","9547.5","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H60 Mn8 N30 O20 -","- C76 H60 Mn8 N30 O20 -","- C304 H240 Mn32 N120 O80 -","4","0.5","","Yang, Hua; Yao, Qing-Xia; Li, Yun-Wu; Li, Da-Cheng; Dou, Jian-Min","22-Azametallacrown-8 complex with a triazole-bridged ligand: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","16986","16991","10.1039/c4dt02722a","","","0.71073","MoKα","","0.1605","0.082","","","0.1798","0.2025","","","","","","1","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032698","12.3863","0.0009","11.7173","0.0008","17.9207","0.0013","90","","95.189","0.003","90","","2590.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N4 O2 Zn -","- C30 H30 N4 O2 Zn -","- C120 H120 N16 O8 Zn4 -","4","1","","Gerling, Kimberly A.; Rezayee, Nomaan M.; Rheingold, Arnold L.; Green, David B.; Fritsch, Joseph M.","Synthesis and structures of bis-ligated zinc complexes supported by tridentate ketoimines that initiate l-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16498","16508","10.1039/c4dt01607f","","","0.71073","MoKα","","0.0886","0.0499","","","0.1303","0.1394","","","","","","1.056","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032699","18.4261","0.0019","18.3114","0.0019","17.7719","0.0019","90","","105.912","0.001","90","","5766.6","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H46 Cl8 N4 O2 Zn -","- C54 H46 Cl8 N4 O2 Zn -","- C216 H184 Cl32 N16 O8 Zn4 -","4","0.5","","Gerling, Kimberly A.; Rezayee, Nomaan M.; Rheingold, Arnold L.; Green, David B.; Fritsch, Joseph M.","Synthesis and structures of bis-ligated zinc complexes supported by tridentate ketoimines that initiate l-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16498","16508","10.1039/c4dt01607f","","","0.71073","MoKα","","0.0572","0.0445","","","0.1246","0.1294","","","","","","1.053","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032700","10.9999","0.0005","21.1507","0.0011","12.5158","0.0005","90","","112.964","0.001","90","","2681.1","0.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H20 F6 N4 O2 Zn -","- C28 H20 F6 N4 O2 Zn -","- C112 H80 F24 N16 O8 Zn4 -","4","1","","Gerling, Kimberly A.; Rezayee, Nomaan M.; Rheingold, Arnold L.; Green, David B.; Fritsch, Joseph M.","Synthesis and structures of bis-ligated zinc complexes supported by tridentate ketoimines that initiate l-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16498","16508","10.1039/c4dt01607f","","","0.71073","MoKα","","0.0299","0.0273","","","0.0623","0.0635","","","","","","1.071","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032701","13.728","0.002","15.472","0.002","15.449","0.002","90","","103.124","0.002","90","","3195.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 F6 N4 O2 Zn -","- C34 H32 F6 N4 O2 Zn -","- C136 H128 F24 N16 O8 Zn4 -","4","1","","Gerling, Kimberly A.; Rezayee, Nomaan M.; Rheingold, Arnold L.; Green, David B.; Fritsch, Joseph M.","Synthesis and structures of bis-ligated zinc complexes supported by tridentate ketoimines that initiate l-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16498","16508","10.1039/c4dt01607f","","","0.71073","MoKα","","0.0889","0.0637","","","0.1469","0.1605","","","","","","1.05","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032702","11.8222","0.0006","14.452","0.0008","23.0665","0.0013","90","","93.491","0.001","90","","3933.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 F6 N4 O3 Zn -","- C44 H38 F6 N4 O3 Zn -","- C176 H152 F24 N16 O12 Zn4 -","4","1","","Gerling, Kimberly A.; Rezayee, Nomaan M.; Rheingold, Arnold L.; Green, David B.; Fritsch, Joseph M.","Synthesis and structures of bis-ligated zinc complexes supported by tridentate ketoimines that initiate l-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16498","16508","10.1039/c4dt01607f","","","0.71073","MoKα","","0.0489","0.0396","","","0.1052","0.1139","","","","","","1.005","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032703","10.944","0.003","15.11","0.004","17.767","0.004","90","","104.388","0.011","90","","2845.9","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 F12 N4 O2 Zn -","- C28 H14 F12 N4 O2 Zn -","- C112 H56 F48 N16 O8 Zn4 -","4","1","","Gerling, Kimberly A.; Rezayee, Nomaan M.; Rheingold, Arnold L.; Green, David B.; Fritsch, Joseph M.","Synthesis and structures of bis-ligated zinc complexes supported by tridentate ketoimines that initiate l-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16498","16508","10.1039/c4dt01607f","","","0.71073","MoKα","","0.0367","0.0272","","","0.0614","0.0651","","","","","","1.02","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032704","10.8018","0.0004","16.7358","0.0007","16.7518","0.0007","90","","103.113","0.001","90","","2949.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 F12 N4 O2 Zn -","- C30 H18 F12 N4 O2 Zn -","- C120 H72 F48 N16 O8 Zn4 -","4","1","","Gerling, Kimberly A.; Rezayee, Nomaan M.; Rheingold, Arnold L.; Green, David B.; Fritsch, Joseph M.","Synthesis and structures of bis-ligated zinc complexes supported by tridentate ketoimines that initiate l-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16498","16508","10.1039/c4dt01607f","","","0.71073","MoKα","","0.0388","0.0328","","","0.0848","0.0893","","","","","","1.006","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032705","21.183","0.003","10.885","0.0013","32.283","0.004","90","","102.157","0.008","90","","7276.8","1.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H122 N4 O7 Ti2 -","- C74 H122 N4 O7 Ti2 -","- C296 H488 N16 O28 Ti8 -","4","0.5","","Barroso, Sónia; Coelho, Ana M.; Gómez-Ruiz, Santiago; Calhorda, Maria José; Zižak, Zeljko; Kaluđerović, Goran N; Martins, Ana M.","Synthesis, cytotoxic and hydrolytic studies of titanium complexes anchored by a tripodal diamine bis(phenolate) ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17422","17433","10.1039/c4dt00975d","","x-ray","0.71073","MoKα","","0.0911","0.0642","","","0.1572","0.1681","","","","","","1.049","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032706","16.7","0.0011","15.639","0.001","15.174","0.001","90","","115.821","0.002","90","","3567.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 Cl2 N2 O2 Ti -","- C34 H54 Cl2 N2 O2 Ti -","- C136 H216 Cl8 N8 O8 Ti4 -","4","1","","Barroso, Sónia; Coelho, Ana M.; Gómez-Ruiz, Santiago; Calhorda, Maria José; Zižak, Zeljko; Kaluđerović, Goran N; Martins, Ana M.","Synthesis, cytotoxic and hydrolytic studies of titanium complexes anchored by a tripodal diamine bis(phenolate) ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17422","17433","10.1039/c4dt00975d","","x-ray","0.71073","MoKα","","0.1358","0.059","","","0.1093","0.1272","","","","","","0.906","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032707","13.08","0.002","13.894","0.003","23.193","0.004","90","","95.62","0.009","90","","4194.7","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H142 N4 O11 Ti2 -","- C84 H142 N4 O11 Ti2 -","- C168 H284 N8 O22 Ti4 -","2","0.5","","Barroso, Sónia; Coelho, Ana M.; Gómez-Ruiz, Santiago; Calhorda, Maria José; Zižak, Zeljko; Kaluđerović, Goran N; Martins, Ana M.","Synthesis, cytotoxic and hydrolytic studies of titanium complexes anchored by a tripodal diamine bis(phenolate) ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17422","17433","10.1039/c4dt00975d","","x-ray","0.71073","MoKα","","0.1721","0.0693","","","0.1282","0.1525","","","","","","0.926","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032708","9.973","0.003","24.648","0.006","15.235","0.004","90","","101.227","0.003","90","","3673.3","1.7","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H37 Cl Cu N P2 -","- C42 H37 Cl Cu N P2 -","- C168 H148 Cl4 Cu4 N4 P8 -","4","1","","Ohara, Hiroki; Kobayashi, Atsushi; Kato, Masako","Simple and extremely efficient blue emitters based on mononuclear Cu(i)-halide complexes with delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17317","17323","10.1039/c4dt02709d","","","0.71075","MoKα","","","0.0456","","","","0.1193","","","","","","1.091","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032709","11.4725","0.0006","16.0533","0.0011","19.8384","0.0017","100.594","0.005","93.054","0.004","94.3057","0.0019","3572.9","0.4","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H37 Br Cu N P2 -","- C42 H37 Br Cu N P2 -","- C168 H148 Br4 Cu4 N4 P8 -","4","2","","Ohara, Hiroki; Kobayashi, Atsushi; Kato, Masako","Simple and extremely efficient blue emitters based on mononuclear Cu(i)-halide complexes with delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17317","17323","10.1039/c4dt02709d","","","0.71075","MoKα","","","0.0403","","","","0.1042","","","","","","1.07","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032710","11.641","0.003","16.112","0.005","19.967","0.006","100.657","0.005","92.322","0.005","94.296","0.003","3664.4","1.8","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H37 Cu I N P2 -","- C42 H37 Cu I N P2 -","- C168 H148 Cu4 I4 N4 P8 -","4","2","","Ohara, Hiroki; Kobayashi, Atsushi; Kato, Masako","Simple and extremely efficient blue emitters based on mononuclear Cu(i)-halide complexes with delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17317","17323","10.1039/c4dt02709d","","","0.71075","MoKα","","","0.0556","","","","0.14","","","","","","1.134","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032711","17.6494","0.0007","14.7986","0.0006","21.9268","0.0009","90","","93.258","0.002","90","","5717.7","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C59 H63 B F3 Mn N9 O7 S -","- C59 H63 B F3 Mn N9 O7 S -","- C236 H252 B4 F12 Mn4 N36 O28 S4 -","4","1","","Colmer, Hannah E.; Geiger, Robert A.; Leto, Domenick F.; Wijeratne, Gayan B.; Day, Victor W.; Jackson, Timothy A.","Geometric and electronic structure of a peroxomanganese(iii) complex supported by a scorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17949","17963","10.1039/c4dt02483d","","","1.54178","CuKα","","0.0549","0.044","","","0.1108","0.118","","","","","","1.036","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032712","12.928","0.002","21.642","0.004","18.633","0.003","90","","103.572","0.004","90","","5067.7","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H62 B Mn N6 O5 -","- C58 H62 B Mn N6 O5 -","- C232 H248 B4 Mn4 N24 O20 -","4","1","","Colmer, Hannah E.; Geiger, Robert A.; Leto, Domenick F.; Wijeratne, Gayan B.; Day, Victor W.; Jackson, Timothy A.","Geometric and electronic structure of a peroxomanganese(iii) complex supported by a scorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17949","17963","10.1039/c4dt02483d","","","1.54178","CuKα","","0.0528","0.0514","","","0.146","0.1474","","","","","","1.076","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032713","25.4174","0.0004","25.4174","0.0004","51.8599","0.0007","90","","90","","120","","29015.1","0.8","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C48 H42 F12 Fe2 N10 O16 S4 -","- C44 H36 F12 Fe2 N8 O16 S4 -","- C792 H648 F216 Fe36 N144 O288 S72 -","18","0.5","","Grau, Michaela; Kyriacou, Andrew; Cabedo Martinez, Fernando; de Wispelaere, Irene M.; White, Andrew J. P.; Britovsek, George J. P.","Unraveling the origins of catalyst degradation in non-heme iron-based alkane oxidation.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17108","17119","10.1039/c4dt02067g","","","0.71073","MoKα","","0.0581","0.0396","","","0.1111","0.1164","","","","","","0.981","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032714","12.1402","0.0004","12.1595","0.0004","13.5926","0.0003","81.615","0.002","70.378","0.003","88.442","0.003","1869.29","0.1","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H31 F6 Fe N3 O13 S2 -","- C31 H31 F6 Fe N3 O13 S2 -","- C62 H62 F12 Fe2 N6 O26 S4 -","2","1","","Grau, Michaela; Kyriacou, Andrew; Cabedo Martinez, Fernando; de Wispelaere, Irene M.; White, Andrew J. P.; Britovsek, George J. P.","Unraveling the origins of catalyst degradation in non-heme iron-based alkane oxidation.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17108","17119","10.1039/c4dt02067g","","","0.71073","MoKα","","0.0668","0.0473","","","0.1205","0.131","","","","","","1.044","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032715","9.0685","0.0005","9.9914","0.0004","13.1697","0.0005","104.096","0.003","109.381","0.004","98.362","0.004","1057.85","0.09","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H36 F6 Fe2 N8 O12 S2 -","- C34 H36 F6 Fe2 N8 O12 S2 -","- C34 H36 F6 Fe2 N8 O12 S2 -","1","0.5","","Grau, Michaela; Kyriacou, Andrew; Cabedo Martinez, Fernando; de Wispelaere, Irene M.; White, Andrew J. P.; Britovsek, George J. P.","Unraveling the origins of catalyst degradation in non-heme iron-based alkane oxidation.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17108","17119","10.1039/c4dt02067g","","","1.54184","CuKα","","0.0479","0.0417","","","0.115","0.1193","","","","","","1.075","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032718","25.817","0.001","22.976","0.001","15.7552","0.0008","90","","90","","90","","9345.5","0.7","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C168 H38 Cl4 Ni2 P2 -","- C167.99 H30 Cl4 Ni2 P2 -","- C671.96 H120 Cl16 Ni8 P8 -","4","0.5","","Konarev, Dmitri V.; Troyanov, Sergey I.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Molecular structure and spectroscopic properties of a nickel-bridged {Ni(Ph3P)}2(μ2-η(2), η(2)-C60)2 dimer.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17920","17923","10.1039/c4dt02161d","","","0.87933","synchrotron","","0.0639","0.0591","","","0.1334","0.1384","","","","","","1.016","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032719","19.693","0.004","16.245","0.003","26.761","0.008","90","","132.8","0.018","90","","6282","3","113","2","113","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C68 H60 F Mo12 N12 O54 P Zn2 -","- C68 H60 F Mo12 N12 O54 P Zn2 -","- C136 H120 F2 Mo24 N24 O108 P2 Zn4 -","2","0.5","","Liu, Jian-Jun; Wang, Yao; Hong, Yu-Jian; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin","A photochromic naphthalene diimide coordination network sensitized by polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17908","17911","10.1039/c4dt02641a","","","0.71073","MoKα","","0.1089","0.0914","","","0.2212","0.2318","","","","","","1.094","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032720","22.8993","0.001","17.3146","0.0005","37.9734","0.0016","90","","98.5386","0.0014","90","","14889.3","1","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C125.55 H99.15 F22.35 Fe4 N29.05 O23.35 S7.45 -","- C125.55 H99.15 F22.35 Fe4 N29.05 O23.35 S7.45 -","- C502.2 H396.6 F89.4 Fe16 N116.2 O93.4 S29.8 -","4","1","","Giri, Chandan; Topić, Filip; Mal, Prasenjit; Rissanen, Kari","Self-assembly of a M4L6 complex with unexpected S4 symmetry.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17889","17892","10.1039/c4dt02754j","","","1.54184","CuKα","","0.14","0.104","","","0.2746","0.2996","","","","","","1.044","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032721","8.6735","0.0003","28.0865","0.0009","11.7927","0.0004","90","","102.006","0.002","90","","2809.96","0.16","296","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O11 Os3 Ru S -","- C21 H15 O11 Os3 Ru S -","- C84 H60 O44 Os12 Ru4 S4 -","4","1","","Yuvaraj, K.; Roy, Dipak Kumar; Anju, V. P.; Mondal, Bijnaneswar; Varghese, Babu; Ghosh, Sundargopal","Mixed-metal chalcogenide tetrahedral clusters with an exo-polyhedral metal fragment.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17184","17190","10.1039/c4dt02329c","","","0.71073","MoKα","","0.0608","0.0465","","","0.1094","0.1145","","","","","","1.119","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032722","8.782","0.0002","28.1031","0.0005","11.6956","0.0002","90","","101.67","0.002","90","","2826.82","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O11 Ru4 S -","- C21 H15 O11 Ru4 S -","- C84 H60 O44 Ru16 S4 -","4","1","","Yuvaraj, K.; Roy, Dipak Kumar; Anju, V. P.; Mondal, Bijnaneswar; Varghese, Babu; Ghosh, Sundargopal","Mixed-metal chalcogenide tetrahedral clusters with an exo-polyhedral metal fragment.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17184","17190","10.1039/c4dt02329c","","","1.5418","CuKα","","0.0366","0.0318","","","0.0832","0.0868","","","","","","1.046","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032723","25.7689","0.0009","25.0277","0.0009","14.7792","0.0005","90","","122.069","0.002","90","","8077.2","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H38 B5 Mo2 O9 Ru3 S -","- C29 H38 B5 Mo2 O9 Ru3 S -","- C232 H304 B40 Mo16 O72 Ru24 S8 -","8","1","","Yuvaraj, K.; Roy, Dipak Kumar; Anju, V. P.; Mondal, Bijnaneswar; Varghese, Babu; Ghosh, Sundargopal","Mixed-metal chalcogenide tetrahedral clusters with an exo-polyhedral metal fragment.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17184","17190","10.1039/c4dt02329c","","","0.71073","MoKα","","0.0425","0.0284","","","0.0555","0.0617","","","","","","1.03","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032724","11.576","0.0002","11.9927","0.0002","12.0811","0.0002","104.793","0.001","115.37","0.001","91.577","0.001","1447.1","0.05","85","2","85","2","","","","","","","","6","P 1","P 1","1","","","","- C60 H76 Cl2 O13 P2 Ru -","- C60 H76 Cl2 O13 P2 Ru -","- C60 H76 Cl2 O13 P2 Ru -","1","1","","Slade, Angela T.; Lensink, Cornelis; Falshaw, Andrew; Clark, George R.; Wright, L. James","Ruthenium and osmium complexes of hemilabile chiral monophosphinite ligands derived from 1D-pinitol or 1D-chiro-inositol as catalysts for asymmetric hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17163","17171","10.1039/c4dt02558j","","","0.71073","mokα","","0.0513","0.0475","","","0.1189","0.1226","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032725","10.288","0.002","11.9691","0.0012","12.744","0.0013","113.092","0.002","99.678","0.003","96.877","0.003","1392.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H70 N4 O12 Sm Tb -","- C54 H70 N4 O12 Sm Tb -","- C54 H70 N4 O12 Sm Tb -","1","0.5","","Fomina, Irina; Dobrokhotova, Zhanna; Ilyukhin, Andrey Borisovich; Zhilov, Valery; Bogomyakov, Artem Stepanovich; Antoshkov, Andrey; Zavorotnii, Yurii S.; Gerasimova, Vasilisa; Novotortsev, Vladimir M.; Eremenko, Igor Leonidovich","Heterodinuclear (Sm, Tb) lanthanide pivalates with heterocyclic N-donors: synthesis, structure, thermal behavior, magnetic and photoluminescence properties","Dalton Trans.","2014","","","","","10.1039/C4DT02590C","","","0.71073","MoKα","","0.08","0.0502","","","0.1014","0.1129","","","","","","1","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032726","12.2129","0.001","14.3749","0.0012","23.947","0.002","100.573","0.001","90.899","0.001","97.934","0.001","4089.5","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C81.5 H96.5 N4 O13.75 Sm Tb -","- C81.5 H96.5 N4 O13.75 Sm Tb -","- C163 H193 N8 O27.5 Sm2 Tb2 -","2","1","","Fomina, Irina; Dobrokhotova, Zhanna; Ilyukhin, Andrey Borisovich; Zhilov, Valery; Bogomyakov, Artem Stepanovich; Antoshkov, Andrey; Zavorotnii, Yurii S.; Gerasimova, Vasilisa; Novotortsev, Vladimir M.; Eremenko, Igor Leonidovich","Heterodinuclear (Sm, Tb) lanthanide pivalates with heterocyclic N-donors: synthesis, structure, thermal behavior, magnetic and photoluminescence properties","Dalton Trans.","2014","","","","","10.1039/C4DT02590C","","","0.71073","MoKα","","0.0708","0.0401","","","0.0931","0.1089","","","","","","1.014","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032727","30.978","0.006","14.701","0.003","18.594","0.003","90","","106.894","0.004","90","","8102","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H98 N4 O14 Sm Tb -","- C82 H98 N4 O14 Sm Tb -","- C328 H392 N16 O56 Sm4 Tb4 -","4","0.5","","Fomina, Irina; Dobrokhotova, Zhanna; Ilyukhin, Andrey Borisovich; Zhilov, Valery; Bogomyakov, Artem Stepanovich; Antoshkov, Andrey; Zavorotnii, Yurii S.; Gerasimova, Vasilisa; Novotortsev, Vladimir M.; Eremenko, Igor Leonidovich","Heterodinuclear (Sm, Tb) lanthanide pivalates with heterocyclic N-donors: synthesis, structure, thermal behavior, magnetic and photoluminescence properties","Dalton Trans.","2014","","","","","10.1039/C4DT02590C","","","0.71073","MoKα","","0.1221","0.0729","","","0.1826","0.2058","","","","","","1.127","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032728","31.2102","0.0008","14.7436","0.0004","18.799","0.0005","90","","107.248","0.001","90","","8261.4","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H92 N4 O13 Sm Tb -","- C80 H92 N4 O13 Sm Tb -","- C320 H368 N16 O52 Sm4 Tb4 -","4","0.5","","Fomina, Irina; Dobrokhotova, Zhanna; Ilyukhin, Andrey Borisovich; Zhilov, Valery; Bogomyakov, Artem Stepanovich; Antoshkov, Andrey; Zavorotnii, Yurii S.; Gerasimova, Vasilisa; Novotortsev, Vladimir M.; Eremenko, Igor Leonidovich","Heterodinuclear (Sm, Tb) lanthanide pivalates with heterocyclic N-donors: synthesis, structure, thermal behavior, magnetic and photoluminescence properties","Dalton Trans.","2014","","","","","10.1039/C4DT02590C","","","0.71073","MoKα","","0.054","0.0319","","","0.0833","0.0974","","","","","","1.07","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032729","9.4184","0.0005","16.0507","0.001","17.5178","0.001","90","","94.646","0.002","90","","2639.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H66 K2 N8 O4 -","- C56 H66 K2 N8 O4 -","- C112 H132 K4 N16 O8 -","2","0.5","","Travieso-Puente, Raquel; Chang, Mu-Chieh; Otten, Edwin","Alkali metal salts of formazanate ligands: diverse coordination modes as a result of the nitrogen-rich [NNCNN] ligand backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18035","18041","10.1039/c4dt02578d","","","0.71073","MoKα","","0.0841","0.0494","","","0.1034","0.1198","","","","","","1.024","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032730","13.1681","0.0006","15.7367","0.0007","13.2976","0.0006","90","","91.788","0.002","90","","2754.2","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H38 N5 Na O2 -","- C28 H38 N5 Na O2 -","- C112 H152 N20 Na4 O8 -","4","1","","Travieso-Puente, Raquel; Chang, Mu-Chieh; Otten, Edwin","Alkali metal salts of formazanate ligands: diverse coordination modes as a result of the nitrogen-rich [NNCNN] ligand backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18035","18041","10.1039/c4dt02578d","","","0.71073","MoKα","","0.05","0.041","","","0.1068","0.1136","","","","","","1.033","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032731","16.7609","0.0008","16.7609","0.0008","30.0579","0.0015","90","","90","","120","","7312.8","0.6","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C102 H114 N24 Na6 -","- C102 H114 N24 Na6 -","- C306 H342 N72 Na18 -","3","0.166667","","Travieso-Puente, Raquel; Chang, Mu-Chieh; Otten, Edwin","Alkali metal salts of formazanate ligands: diverse coordination modes as a result of the nitrogen-rich [NNCNN] ligand backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18035","18041","10.1039/c4dt02578d","","","0.71073","MoKα","","0.0465","0.036","","","0.0837","0.0888","","","","","","1.036","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032732","8.5964","0.0005","19.7591","0.0014","19.9085","0.0015","90","","99.724","0.002","90","","3333","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H53 N5 -","- C36 H53 N5 -","- C144 H212 N20 -","4","1","","Travieso-Puente, Raquel; Chang, Mu-Chieh; Otten, Edwin","Alkali metal salts of formazanate ligands: diverse coordination modes as a result of the nitrogen-rich [NNCNN] ligand backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18035","18041","10.1039/c4dt02578d","","","0.71073","MoKα","","0.0983","0.0537","","","0.1117","0.1284","","","","","","1.015","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032733","10.804","0.0013","13.3524","0.0016","12.7899","0.0015","90","","97.497","0.002","90","","1829.3","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H34 Mn N6 O4 Ru -","- C38 H34 Mn N6 O4 Ru -","- C76 H68 Mn2 N12 O8 Ru2 -","2","1","","Ru, Jing; Gao, Feng; Yao, Min-Xia; Wu, Tao; Zuo, Jing-Lin","Crystal structures and magnetic properties of chiral heterobimetallic chains based on the dicyanoruthenate building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18047","18055","10.1039/c4dt02518k","","","0.71073","MoKα","","0.0431","0.0369","","","0.0984","0.1029","","","","","","1.061","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032734","10.8146","0.0015","13.3776","0.0018","12.808","0.0017","90","","97.643","0.002","90","","1836.5","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H34 Mn N6 O4 Ru -","- C38 H34 Mn N6 O4 Ru -","- C76 H68 Mn2 N12 O8 Ru2 -","2","1","","Ru, Jing; Gao, Feng; Yao, Min-Xia; Wu, Tao; Zuo, Jing-Lin","Crystal structures and magnetic properties of chiral heterobimetallic chains based on the dicyanoruthenate building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18047","18055","10.1039/c4dt02518k","","","0.71073","MoKα","","0.0817","0.0772","","","0.1856","0.1897","","","","","","1.065","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032735","13.2812","0.0013","20.8357","0.0015","20.9023","0.0015","100.14","0.002","104.427","0.003","107.371","0.002","5146.3","0.7","291","2","291","2","","","","","","","","6","P 1","P 1","1","","","","- C92 H72 Mn2 N12 O8 Ru2 -","- C92 H72 Mn2 N12 O8 Ru2 -","- C184 H144 Mn4 N24 O16 Ru4 -","2","2","","Ru, Jing; Gao, Feng; Yao, Min-Xia; Wu, Tao; Zuo, Jing-Lin","Crystal structures and magnetic properties of chiral heterobimetallic chains based on the dicyanoruthenate building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18047","18055","10.1039/c4dt02518k","","","0.71073","MoKα","","0.0596","0.0569","","","0.1411","0.1416","","","","","","1.033","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032736","13.3357","0.0016","20.7715","0.0014","21.0323","0.0014","100.669","0.002","104.517","0.003","106.257","0.002","5206.2","0.8","291","2","291","2","","","","","","","","6","P 1","P 1","1","","","","- C92 H72 Mn2 N12 O8 Ru2 -","- C92 H72 Mn2 N12 O8 Ru2 -","- C184 H144 Mn4 N24 O16 Ru4 -","2","2","","Ru, Jing; Gao, Feng; Yao, Min-Xia; Wu, Tao; Zuo, Jing-Lin","Crystal structures and magnetic properties of chiral heterobimetallic chains based on the dicyanoruthenate building block.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18047","18055","10.1039/c4dt02518k","","","0.71073","MoKα","","0.0597","0.0562","","","0.1397","0.1403","","","","","","1.028","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032737","14.2219","0.0008","8.8418","0.0008","16.0675","0.0013","90","","112.897","0.007","90","","1861.2","0.3","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 I -","- C22 H21 I -","- C88 H84 I4 -","4","0.5","","Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Ligand influences on homoleptic Group 12 m-terphenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14257","14264","10.1039/c4dt00647j","","","0.71073","MoKα","","0.0371","0.0318","","","0.0739","0.0758","","","","","","1.1","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032738","7.759","0.002","27.311","0.008","8.45","0.002","90","","90","","90","","1790.6","0.8","90","2","90","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C22 H21 I -","- C22 H21 I -","- C88 H84 I4 -","4","0.5","","Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Ligand influences on homoleptic Group 12 m-terphenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14257","14264","10.1039/c4dt00647j","","","0.71073","MoKα","","0.0417","0.0412","","","0.102","0.102","","","","","","1.5","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032739","8.708","0.002","9.292","0.003","15.373","0.004","73.294","0.004","77.896","0.004","77.855","0.004","1149.9","0.5","90","2","90.15","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H33 I -","- C28 H33 I -","- C56 H66 I2 -","2","1","","Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Ligand influences on homoleptic Group 12 m-terphenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14257","14264","10.1039/c4dt00647j","","","0.71073","MoKα","","0.0336","0.0329","","","0.0891","0.09","","","","","","1.072","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032740","10.6871","0.0003","42.4827","0.0009","15.9595","0.0004","90","","106.596","0.003","90","","6944","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Li2 -","- C44 H42 Li2 -","- C352 H336 Li16 -","8","2","","Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Ligand influences on homoleptic Group 12 m-terphenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14257","14264","10.1039/c4dt00647j","","","1.5418","CuKα","","0.0862","0.0745","","","0.1817","0.187","","","","","","1.124","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032741","10.4016","0.0007","10.4016","0.0007","31.197","0.004","90","","90","","90","","3375.3","0.5","90","2","90","2","","","","","","","","3","P 41","P 4w","76","","","","- C44 H42 Zn -","- C44 H42 Zn -","- C176 H168 Zn4 -","4","1","","Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Ligand influences on homoleptic Group 12 m-terphenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14257","14264","10.1039/c4dt00647j","","","0.71073","MoKα","","0.0612","0.0551","","","0.105","0.109","","","","","","1.18","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032742","10.5072","0.0003","10.5072","0.0003","31.0528","0.0017","90","","90","","90","","3428.3","0.2","90","2","90","2","","","","","","","","3","P 43","P 4cw","78","","","","- C44 H42 Cd -","- C44 H42 Cd -","- C176 H168 Cd4 -","4","1","","Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Ligand influences on homoleptic Group 12 m-terphenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14257","14264","10.1039/c4dt00647j","","","0.71073","MoKα","","0.0547","0.0486","","","0.0884","0.0906","","","","","","1.15","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032743","20.903","0.009","20.903","0.009","31.72","0.03","90","","90","","90","","13860","16","90","2","90","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C44 H42 Hg -","- C44 H42 Hg -","- C704 H672 Hg16 -","16","1","","Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Ligand influences on homoleptic Group 12 m-terphenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14257","14264","10.1039/c4dt00647j","","","0.71073","MoKα","","0.0734","0.0427","","","0.0775","0.0865","","","","","","1.06","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032744","10.6431","0.0007","11.2772","0.0006","15.6417","0.0007","81.846","0.004","87.869","0.004","65.639","0.006","1692.47","0.18","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H42 Zn -","- C44 H42 Zn -","- C88 H84 Zn2 -","2","1","","Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Ligand influences on homoleptic Group 12 m-terphenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14257","14264","10.1039/c4dt00647j","","","1.54184","CuKα","","0.0302","0.0275","","","0.0716","0.0736","","","","","","1.03","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032745","10.748","0.003","12.914","0.004","13.331","0.004","76.688","0.004","83.692","0.004","78.257","0.004","1759.1","0.9","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H42 Cd -","- C44 H42 Cd -","- C88 H84 Cd2 -","2","1","","Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Ligand influences on homoleptic Group 12 m-terphenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14257","14264","10.1039/c4dt00647j","","","0.71073","MoKα","","0.035","0.028","","","0.0678","0.0702","","","","","","1.06","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032746","10.688","0.002","12.974","0.003","13.401","0.003","76.323","0.003","83.448","0.003","78.253","0.003","1763.5","0.7","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H42 Hg -","- C44 H42 Hg -","- C88 H84 Hg2 -","2","1","","Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Ligand influences on homoleptic Group 12 m-terphenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14257","14264","10.1039/c4dt00647j","","","0.71073","MoKα","","0.0821","0.0528","","","0.097","0.106","","","","","","0.98","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032747","12.178","0.003","22.671","0.005","18.854","0.004","90","","94.559","0.004","90","","5189","2","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C59 H73 Zn -","- C56 H66 Zn -","- C224 H264 Zn4 -","4","1","","Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Ligand influences on homoleptic Group 12 m-terphenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14257","14264","10.1039/c4dt00647j","","","0.71073","MoKα","","0.0744","0.0566","","","0.1335","0.1402","","","","","","1.084","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032748","13.978","0.005","18.737","0.007","34.854","0.012","90","","90","","90","","9128","6","90","2","90","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C56 H66 Cd -","- C56 H66 Cd -","- C448 H528 Cd8 -","8","0.25","","Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Ligand influences on homoleptic Group 12 m-terphenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14257","14264","10.1039/c4dt00647j","","","0.71073","MoKα","","0.0295","0.0275","","","0.0713","0.0733","","","","","","1.095","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032749","13.998","0.003","18.67","0.004","34.919","0.008","90","","90","","90","","9126","3","90","2","90","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C56 H66 Hg -","- C56 H66 Hg -","- C448 H528 Hg8 -","8","0.25","","Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Ligand influences on homoleptic Group 12 m-terphenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14257","14264","10.1039/c4dt00647j","","","0.71073","MoKα","","0.0313","0.0254","","","0.0619","0.0648","","","","","","1.047","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032750","8.1352","0.0009","10.0028","0.0011","10.5175","0.0011","88.171","0.001","68.108","0.001","85.018","0.001","791.14","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Ag Cl N2 -","- C17 H16 Ag Cl N2 -","- C34 H32 Ag2 Cl2 N4 -","2","1","","Cesari, C.; Conti, S.; Zacchini, S.; Zanotti, V.; Cassani, M. C.; Mazzoni, R.","Sterically driven synthesis of ruthenium and ruthenium-silver N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17240","17243","10.1039/c4dt02747g","","","0.71073","MoKα","","0.032","0.027","","","0.064","0.0667","","","","","","1.064","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032751","16.2736","0.0016","13.5024","0.0013","17.6132","0.0017","90","","113.296","0.001","90","","3554.7","0.6","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H38 N2 O6 Ru -","- C40 H38 N2 O6 Ru -","- C160 H152 N8 O24 Ru4 -","4","1","","Cesari, C.; Conti, S.; Zacchini, S.; Zanotti, V.; Cassani, M. C.; Mazzoni, R.","Sterically driven synthesis of ruthenium and ruthenium-silver N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17240","17243","10.1039/c4dt02747g","","","0.71073","MoKα","","0.0616","0.0417","","","0.1127","0.1284","","","","","","1.035","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032752","14.602","0.004","15.79","0.004","17.85","0.005","90","","101.118","0.003","90","","4038.4","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 N2 O5 Ru -","- C50 H40 N2 O5 Ru -","- C200 H160 N8 O20 Ru4 -","4","1","","Cesari, C.; Conti, S.; Zacchini, S.; Zanotti, V.; Cassani, M. C.; Mazzoni, R.","Sterically driven synthesis of ruthenium and ruthenium-silver N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17240","17243","10.1039/c4dt02747g","","","0.71073","MoKα","","0.1861","0.0675","","","0.1427","0.1946","","","","","","0.966","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032753","24.188","0.004","14.213","0.003","24.171","0.004","90","","117.822","0.002","90","","7349","2","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H35 Cl N2 O6 Ru -","- C39.5 H35 Cl N2 O6 Ru -","- C316 H280 Cl8 N16 O48 Ru8 -","8","1","","Cesari, C.; Conti, S.; Zacchini, S.; Zanotti, V.; Cassani, M. C.; Mazzoni, R.","Sterically driven synthesis of ruthenium and ruthenium-silver N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17240","17243","10.1039/c4dt02747g","","","0.71073","MoKα","","0.0467","0.0327","","","0.0935","0.106","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032754","15.636","0.0014","20.8474","0.0019","38.03","0.004","90","","90.673","0.001","90","","12396","2","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63.75 H69 Ag Cl N2 O5 Ru -","- C63.75 H69 Ag Cl N2 O5 Ru -","- C510 H552 Ag8 Cl8 N16 O40 Ru8 -","8","2","","Cesari, C.; Conti, S.; Zacchini, S.; Zanotti, V.; Cassani, M. C.; Mazzoni, R.","Sterically driven synthesis of ruthenium and ruthenium-silver N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17240","17243","10.1039/c4dt02747g","","","0.71073","MoKα","","0.097","0.0619","","","0.1743","0.2014","","","","","","1.029","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032755","15.469","0.003","20.983","0.005","37.639","0.008","90","","90.26","0.003","90","","12217","5","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63.75 H69 Cl Cu N2 O5 Ru -","- C63.75 H69 Cl Cu N2 O5 Ru -","- C510 H552 Cl8 Cu8 N16 O40 Ru8 -","8","2","","Cesari, C.; Conti, S.; Zacchini, S.; Zanotti, V.; Cassani, M. C.; Mazzoni, R.","Sterically driven synthesis of ruthenium and ruthenium-silver N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17240","17243","10.1039/c4dt02747g","","","0.71073","MoKα","","0.126","0.0878","","","0.2433","0.2824","","","","","","1.019","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032756","9.257","0.008","16.127","0.013","13.836","0.011","90","","94.234","0.016","90","","2060","3","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 F0 Fe N6 O2 P0 -","- C22 H16 Fe N6 O2 -","- C88 H64 Fe4 N24 O8 -","4","1","","Wang, Yong; Ma, Xiao; Hu, Shengmin; Wen, Yuehong; Xue, Zhenzhen; Zhu, Xiaoquan; Zhang, Xudong; Sheng, Tianlu; Wu, Xintao","Syntheses, crystal structures, MMCT and magnetic properties of four one-dimensional cyanide-bridged complexes comprised of M(II)-CN-Fe(III) (M = Fe, Ru, Os).","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17453","17462","10.1039/c4dt02272f","","","0.71073","MoKα","","0.0863","0.065","","","0.1639","0.1779","","","","","","0.917","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032757","26.832","0.003","14.7225","0.001","14.7702","0.0012","90","","112.366","0.005","90","","5395.8","0.9","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N6 O7 Os -","- C22 H16 N6 O7 Os -","- C176 H128 N48 O56 Os8 -","8","1","","Wang, Yong; Ma, Xiao; Hu, Shengmin; Wen, Yuehong; Xue, Zhenzhen; Zhu, Xiaoquan; Zhang, Xudong; Sheng, Tianlu; Wu, Xintao","Syntheses, crystal structures, MMCT and magnetic properties of four one-dimensional cyanide-bridged complexes comprised of M(II)-CN-Fe(III) (M = Fe, Ru, Os).","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17453","17462","10.1039/c4dt02272f","","","0.71073","MoKα","","0.0569","0.0552","","","0.1642","0.1664","","","","","","1.058","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032758","16.088","0.008","13.258","0.006","21.99","0.011","90","","108.196","0.009","90","","4456","4","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 F6 Fe2 N10 O4 P -","- C43 H40 F6 Fe2 N10 O4 P -","- C172 H160 F24 Fe8 N40 O16 P4 -","4","1","","Wang, Yong; Ma, Xiao; Hu, Shengmin; Wen, Yuehong; Xue, Zhenzhen; Zhu, Xiaoquan; Zhang, Xudong; Sheng, Tianlu; Wu, Xintao","Syntheses, crystal structures, MMCT and magnetic properties of four one-dimensional cyanide-bridged complexes comprised of M(II)-CN-Fe(III) (M = Fe, Ru, Os).","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17453","17462","10.1039/c4dt02272f","","","0.71073","MoKα","","0.1117","0.0787","","","0.2127","0.2429","","","","","","1.017","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032759","16.747","0.007","13.494","0.005","22.504","0.01","90","","105.667","0.007","90","","4897","3","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 F6 Fe2 N10 O5 P -","- C48 H44 F6 Fe2 N10 O5 P -","- C192 H176 F24 Fe8 N40 O20 P4 -","4","1","","Wang, Yong; Ma, Xiao; Hu, Shengmin; Wen, Yuehong; Xue, Zhenzhen; Zhu, Xiaoquan; Zhang, Xudong; Sheng, Tianlu; Wu, Xintao","Syntheses, crystal structures, MMCT and magnetic properties of four one-dimensional cyanide-bridged complexes comprised of M(II)-CN-Fe(III) (M = Fe, Ru, Os).","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17453","17462","10.1039/c4dt02272f","","","0.71073","MoKα","","0.1109","0.0644","","","0.13","0.157","","","","","","1.033","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032760","27.291","0.011","12.386","0.005","24.808","0.01","90","","105.893","0.006","90","","8065","6","123","2","123","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Cl0 F6 Fe N8 O2 Os P -","- C38 H30 F6 Fe N8 O2 Os P -","- C304 H240 F48 Fe8 N64 O16 Os8 P8 -","8","1","","Wang, Yong; Ma, Xiao; Hu, Shengmin; Wen, Yuehong; Xue, Zhenzhen; Zhu, Xiaoquan; Zhang, Xudong; Sheng, Tianlu; Wu, Xintao","Syntheses, crystal structures, MMCT and magnetic properties of four one-dimensional cyanide-bridged complexes comprised of M(II)-CN-Fe(III) (M = Fe, Ru, Os).","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17453","17462","10.1039/c4dt02272f","","","0.71073","MoKα","","0.077","0.0633","","","0.1674","0.1805","","","","","","1.07","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032761","7.3194","0.0007","10.4461","0.0011","14.5397","0.0015","90","","98.358","0.003","90","","1099.89","0.19","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","H2NDC-NH2","1-aminonaphthalene-3,7-dicarboxylic acid","","- C22 H27 N3 O6 -","- C22 H27 N3 O6 -","- C44 H54 N6 O12 -","2","0.5","","Sim, Jaeung; Yim, Haneul; Ko, Nakeun; Choi, Sang Beom; Oh, Youjin; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon","Gas adsorption properties of highly porous metal-organic frameworks containing functionalized naphthalene dicarboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18017","18024","10.1039/c4dt02300e","","","0.71073","MoKα","","0.1321","0.0886","","","0.2015","0.2264","","","","","","1.074","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032762","30.31","0.004","30.31","0.004","30.31","0.004","90","","90","","90","","27846","6","223","2","223","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","MOF-205-NH2","MOF-205-NH2","","- C48 H27 N O13 Zn4 -","- C48 H27 N O13 Zn4 -","- C288 H162 N6 O78 Zn24 -","6","0.125","","Sim, Jaeung; Yim, Haneul; Ko, Nakeun; Choi, Sang Beom; Oh, Youjin; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon","Gas adsorption properties of highly porous metal-organic frameworks containing functionalized naphthalene dicarboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18017","18024","10.1039/c4dt02300e","","","0.7","synchrotron","","0.0613","0.0549","","","0.1471","0.152","","","","","","1.093","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7032763","30.312","0.004","30.312","0.004","30.312","0.004","90","","90","","90","","27851","6","223","2","223","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","MOF-205-NO2","MOF-205-NO2","","- C48 H25 N O15 Zn4 -","- C48 H25 N O15 Zn4 -","- C288 H150 N6 O90 Zn24 -","6","0.125","","Sim, Jaeung; Yim, Haneul; Ko, Nakeun; Choi, Sang Beom; Oh, Youjin; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon","Gas adsorption properties of highly porous metal-organic frameworks containing functionalized naphthalene dicarboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18017","18024","10.1039/c4dt02300e","","","0.7","synchrotron","","0.0682","0.0623","","","0.1695","0.1738","","","","","","1.124","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7032764","23.991","0.005","5.746","0.001","21.791","0.004","90","","106.07","0.03","90","","2886.6","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","H2NDC-NO2","1-Nitronaphthlanene-3,7-dicarboxylic acid","","- C15 H14 N2 O7 -","- C15 H14 N2 O7 -","- C120 H112 N16 O56 -","8","1","","Sim, Jaeung; Yim, Haneul; Ko, Nakeun; Choi, Sang Beom; Oh, Youjin; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon","Gas adsorption properties of highly porous metal-organic frameworks containing functionalized naphthalene dicarboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18017","18024","10.1039/c4dt02300e","","","0.7","synchrotron","","0.1032","0.0679","","","0.177","0.2108","","","","","","1.234","","","","has coordinates","192777","2020-10-21","18:00:00",""
"7032766","18.696","0.002","11.6073","0.0014","24.032","0.003","90","","112.526","0.002","90","","4817.3","1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H58 B Cl2 Ir N O3 P -","- C54 H58 B Cl2 Ir N O3 P -","- C216 H232 B4 Cl8 Ir4 N4 O12 P4 -","4","1","","Talavera, M.; Bravo, J.; Castro, J.; García-Fontán, S; Hermida-Ramón, J M; Bolaño, S","Electronic effects of substituents on the stability of the iridanaphthalene compound [Ir[upper bond 1 start]Cp*{[double bond, length as m-dash]C(OMe)CH[double bond, length as m-dash]C(o-C[upper bond 1 end]6H4)(Ph)}(PMe3)]PF6.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17366","17374","10.1039/c4dt02744b","","","0.71073","MoKα","","0.0599","0.0347","","","0.0669","0.0784","","","","","","1.085","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032767","9.7956","0.0009","14.8137","0.0015","24.0161","0.0018","90","","114.072","0.003","90","","3181.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(1,1,1-trifluoro-2,4-pentanedionate)mono(5-nitro-1,10-phenanthroline)erbium(III)","","- C27 H19 Er F9 N3 O8 -","- C27 H19 Er F9 N3 O8 -","- C108 H76 Er4 F36 N12 O32 -","4","1","","Martín-Ramos, P; Coya, C.; Lavín, V; Martín, I R; Silva, M. Ramos; Silva, P. S. Pereira; García-Vélez, M; Alvarez, A. L.; Martín-Gil, J","Active layer solution-processed NIR-OLEDs based on ternary erbium(iii) complexes with 1,1,1-trifluoro-2,4-pentanedione and different N,N-donors.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18087","18096","10.1039/c4dt01694g","","","0.71073","MoKα","","0.1459","0.067","","","0.1639","0.196","","","","","","1.037","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032768","22.705","0.005","9.2115","0.0018","15.646","0.003","90","","118.042","0.003","90","","2888.2","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(1,1,1-trifluoro-2,4-pentanedionate)mono(2,2'-bipyridine)erbium(III)","","- C25 H20 Er F9 N2 O6 -","- C25 H20 Er F9 N2 O6 -","- C100 H80 Er4 F36 N8 O24 -","4","0.5","","Martín-Ramos, P; Coya, C.; Lavín, V; Martín, I R; Silva, M. Ramos; Silva, P. S. Pereira; García-Vélez, M; Alvarez, A. L.; Martín-Gil, J","Active layer solution-processed NIR-OLEDs based on ternary erbium(iii) complexes with 1,1,1-trifluoro-2,4-pentanedione and different N,N-donors.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18087","18096","10.1039/c4dt01694g","","","0.71073","MoKα","","0.1059","0.0725","","","0.1977","0.2395","","","","","","1.049","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032769","17.2382","0.0004","16.2042","0.0003","14.0954","0.0003","90","","102.474","0.001","90","","3844.34","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(1,1,1-trifluoro-2,4-pentanedionate)mono(bathophenanthroline)erbium(III)","","- C39 H28 Er F9 N2 O6 -","- C39 H28 Er F9 N2 O6 -","- C156 H112 Er4 F36 N8 O24 -","4","1","","Martín-Ramos, P; Coya, C.; Lavín, V; Martín, I R; Silva, M. Ramos; Silva, P. S. Pereira; García-Vélez, M; Alvarez, A. L.; Martín-Gil, J","Active layer solution-processed NIR-OLEDs based on ternary erbium(iii) complexes with 1,1,1-trifluoro-2,4-pentanedione and different N,N-donors.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18087","18096","10.1039/c4dt01694g","","","0.71073","MoKα","","0.0763","0.0377","","","0.0784","0.0929","","","","","","1.006","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032770","9.7056","0.0004","16.3421","0.0007","29.3522","0.0014","90","","96.439","0.002","90","","4626.2","0.4","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H38 Cu F6 N2 O P3 -","- C47 H38 Cu F6 N2 O P3 -","- C188 H152 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Prescimone, Alessandro; Longo, Giulia; Pertegás, Antonio; Sessolo, Michele; Bolink, Henk J.","[Cu(bpy)(P^P)](+) containing light-emitting electrochemical cells: improving performance through simple substitution.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16593","16596","10.1039/c4dt02847c","","","1.5418","CuKα","","0.0398","0.0396","","0.0396","0.0393","0.0392","","","","","","1.0728","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032771","16.323","0.0008","15.5884","0.0009","20.3378","0.0011","90","","105.944","0.003","90","","4975.9","0.5","123","","123","","","","","","","","S.Keller","8","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H45 Cl Cu F6 N2 O3 P3 -","- C48.5 H45 Cl Cu F6 N2 O3 P3 -","- C194 H180 Cl4 Cu4 F24 N8 O12 P12 -","4","1","","Keller, Sarah; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Prescimone, Alessandro; Longo, Giulia; Pertegás, Antonio; Sessolo, Michele; Bolink, Henk J.","[Cu(bpy)(P^P)](+) containing light-emitting electrochemical cells: improving performance through simple substitution.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16593","16596","10.1039/c4dt02847c","","","1.5418","CuKα","","0.1342","0.0984","","0.3235","0.2732","0.3231","","","","","","0.9898","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032772","9.4512","0.0019","31.333","0.006","20.413","0.006","90","","117.58","0.02","90","","5358","2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H26 Dy2 F20 N2 O12 -","- C50 H26 Dy2 F20 N2 O12 -","- C200 H104 Dy8 F80 N8 O48 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","pH-induced Dy4 and Dy10 cluster-based 1D chains with different magnetic relaxation features.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16838","16845","10.1039/c4dt02427c","","","0.71073","MoKα","","0.0454","0.0427","","","0.1014","0.1043","","","","","","1.094","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032773","16.0773","0.0006","32.033","0.002","23.3478","0.0009","90","","107.376","0.004","90","","11475.5","1","128","9","128","9","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C196 H94 Dy10 F88 N4 O54 -","- C196 H94 Dy10 F88 N4 O54 -","- C392 H188 Dy20 F176 N8 O108 -","2","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","pH-induced Dy4 and Dy10 cluster-based 1D chains with different magnetic relaxation features.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16838","16845","10.1039/c4dt02427c","","","0.71073","MoKα","","0.0515","0.0507","","","0.1216","0.1218","","","","","","1.024","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032774","23.7147","0.0006","23.7147","0.0006","49.252","0.002","90","","90","","120","","23987.8","1.3","293","2","293","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C96 H66 N18 O58 Ru3 Si W12 Zn2 -","- C96 H66 N18 O58 Ru3 Si W12 Zn2 -","- C576 H396 N108 O348 Ru18 Si6 W72 Zn12 -","6","0.166667","","Wang, Lei; Liu, Jun-Feng; Yang, Weiting; Yi, Fei-Yan; Dang, Song; Sun, Zhong-Ming","A nanosized heterometallic {Zn2Ru3} coordination cage templated by various polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17244","17247","10.1039/c4dt02521k","","","0.71073","MoKα","","0.079","0.074","","","0.1768","0.1805","","","","","","1.139","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032775","23.5835","0.001","23.5835","0.001","48.792","0.004","90","","90","","120","","23502","2","273","2","273","2","","","","","","","","9","R -3 c :H","-R 3 2""c","167","","","","- C96 H66 Mo11 N18 O58 P Ru3 V Zn2 -","- C96 H66 Mo11.412 N18 O58 P Ru3 V0.588 Zn2 -","- C576 H396 Mo68.472 N108 O348 P6 Ru18 V3.528 Zn12 -","6","0.166667","","Wang, Lei; Liu, Jun-Feng; Yang, Weiting; Yi, Fei-Yan; Dang, Song; Sun, Zhong-Ming","A nanosized heterometallic {Zn2Ru3} coordination cage templated by various polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17244","17247","10.1039/c4dt02521k","","","0.71073","MoKα","","0.0948","0.0568","","","0.1524","0.1681","","","","","","0.948","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032776","23.695","0.0004","23.695","0.0004","48.661","0.001","90","","90","","120","","23660.6","0.7","293","2","293","2","","","","","","","","9","R -3 c :H","-R 3 2""c","167","","","","- C96 H66 Mo10 N18 O58 P Ru3 V2 Zn2 -","- C96 H66 Mo10.2 N18 O54.35 P Ru3 V1.8 Zn2 -","- C576 H396 Mo61.2 N108 O326.1 P6 Ru18 V10.8 Zn12 -","6","0.166667","","Wang, Lei; Liu, Jun-Feng; Yang, Weiting; Yi, Fei-Yan; Dang, Song; Sun, Zhong-Ming","A nanosized heterometallic {Zn2Ru3} coordination cage templated by various polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17244","17247","10.1039/c4dt02521k","","","1.54178","CuKα","","0.0593","0.0497","","","0.122","0.1266","","","","","","1.083","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032777","23.6889","0.0003","23.6889","0.0003","48.707","0.0009","90","","90","","120","","23670.7","0.6","293","2","293","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C96 H66 Mo12 N18 O58 P Ru3 Zn2 -","- C96 H66 Mo12 N18 O58 P Ru3 Zn2 -","- C576 H396 Mo72 N108 O348 P6 Ru18 Zn12 -","6","0.166667","","Wang, Lei; Liu, Jun-Feng; Yang, Weiting; Yi, Fei-Yan; Dang, Song; Sun, Zhong-Ming","A nanosized heterometallic {Zn2Ru3} coordination cage templated by various polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17244","17247","10.1039/c4dt02521k","","","1.54178","CuKα","","0.0555","0.0515","","","0.1322","0.1354","","","","","","1.043","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032789","7.96","0.0004","13.4856","0.0007","45.063","0.002","90","","90","","90","","4837.3","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N Ni S10 -","- C17 H18 N Ni S10 -","- C136 H144 N8 Ni8 S80 -","8","2","","Saeki, Masahiro; Dai, Kotaro; Ichimura, Shuhei; Tamaki, Yoshinori; Tomono, Kazuaki; Miyamura, Kazuo","Five types of odd-even effect and crystal structure changes brought about by ω-phenylalkyl group in [Ni(dmit)2] complex salts.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17067","17074","10.1039/c4dt02320j","","","0.71073","MoKα","","0.0411","0.0348","","","0.0798","0.0829","","","","","","1.003","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032790","8.2706","0.0009","12.0647","0.0013","25.316","0.003","98.184","0.001","95.131","0.001","92.056","0.001","2487.3","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N Ni S10 -","- C18 H20 N Ni S10 -","- C72 H80 N4 Ni4 S40 -","4","2","","Saeki, Masahiro; Dai, Kotaro; Ichimura, Shuhei; Tamaki, Yoshinori; Tomono, Kazuaki; Miyamura, Kazuo","Five types of odd-even effect and crystal structure changes brought about by ω-phenylalkyl group in [Ni(dmit)2] complex salts.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17067","17074","10.1039/c4dt02320j","","","0.71073","MoKα","","0.0818","0.0533","","","0.118","0.1291","","","","","","0.874","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032791","12.264","0.0006","8.1996","0.0004","26.7128","0.0013","90","","102.907","0.001","90","","2618.4","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N Ni S10 -","- C19 H22 N Ni S10 -","- C76 H88 N4 Ni4 S40 -","4","1","","Saeki, Masahiro; Dai, Kotaro; Ichimura, Shuhei; Tamaki, Yoshinori; Tomono, Kazuaki; Miyamura, Kazuo","Five types of odd-even effect and crystal structure changes brought about by ω-phenylalkyl group in [Ni(dmit)2] complex salts.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17067","17074","10.1039/c4dt02320j","","","0.71073","MoKα","","0.039","0.0321","","","0.0793","0.0846","","","","","","1.027","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032792","8.5705","0.0008","36.825","0.004","17.6749","0.0017","90","","96.442","0.001","90","","5543.1","1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N Ni S10 -","- C20 H24 N Ni S10 -","- C160 H192 N8 Ni8 S80 -","8","2","","Saeki, Masahiro; Dai, Kotaro; Ichimura, Shuhei; Tamaki, Yoshinori; Tomono, Kazuaki; Miyamura, Kazuo","Five types of odd-even effect and crystal structure changes brought about by ω-phenylalkyl group in [Ni(dmit)2] complex salts.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17067","17074","10.1039/c4dt02320j","","","0.71073","MoKα","","0.1608","0.0583","","","0.1048","0.1265","","","","","","0.787","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032793","19.4003","0.0018","11.1367","0.001","29.827","0.003","90","","95.868","0.001","90","","6410.5","1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","13119b","","","- C36 H33 B N6 Ni S -","- C36 H33 B N6 Ni S -","- C288 H264 B8 N48 Ni8 S8 -","8","2","","Deb, Tapash; Anderson, Caitlin M.; Chattopadhyay, Swarup; Ma, Huaibo; Young, Victor G.; Jensen, Michael P.","Steric and electronic effects on arylthiolate coordination in the pseudotetrahedral complexes [(Tp(Ph,Me))Ni-SAr] (Tp(Ph,Me) = hydrotris{3-phenyl-5-methyl-1-pyrazolyl}borate).","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17489","17499","10.1039/c4dt02726d","","","0.71073","MoKα","","0.0637","0.0395","","","0.0839","0.0944","","","","","","1.019","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032794","18.656","0.006","11.21","0.004","22.998","0.008","90","","113.227","0.005","90","","4420","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","09083b","","","- C46 H53 B Cl2 N6 Ni S -","- C46 H53 B Cl2 N6 Ni S -","- C184 H212 B4 Cl8 N24 Ni4 S4 -","4","1","","Deb, Tapash; Anderson, Caitlin M.; Chattopadhyay, Swarup; Ma, Huaibo; Young, Victor G.; Jensen, Michael P.","Steric and electronic effects on arylthiolate coordination in the pseudotetrahedral complexes [(Tp(Ph,Me))Ni-SAr] (Tp(Ph,Me) = hydrotris{3-phenyl-5-methyl-1-pyrazolyl}borate).","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17489","17499","10.1039/c4dt02726d","","","0.71073","MoKα","","0.0681","0.0493","","","0.111","0.1208","","","","","","1.041","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032795","11.2024","0.0012","11.8429","0.0013","19.114","0.002","98.018","0.001","95.892","0.001","111.318","0.001","2306.7","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","08171a","","","- C49 H57 B N8 Ni S -","- C49 H57 B N8 Ni S -","- C98 H114 B2 N16 Ni2 S2 -","2","1","","Deb, Tapash; Anderson, Caitlin M.; Chattopadhyay, Swarup; Ma, Huaibo; Young, Victor G.; Jensen, Michael P.","Steric and electronic effects on arylthiolate coordination in the pseudotetrahedral complexes [(Tp(Ph,Me))Ni-SAr] (Tp(Ph,Me) = hydrotris{3-phenyl-5-methyl-1-pyrazolyl}borate).","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17489","17499","10.1039/c4dt02726d","","","0.71073","MoKα","","0.0471","0.0333","","","0.0772","0.085","","","","","","1.038","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032796","14.3795","0.0004","14.9693","0.0005","16.9457","0.0006","99.054","0.003","97.777","0.003","117.019","0.002","3119.1","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C126 H88 F30 N14 Ni2 O8 S8 -","- C126 H88 F30 N14 Ni2 O8 S8 -","- C126 H88 F30 N14 Ni2 O8 S8 -","1","0.5","","Dommaschk, M.; Schütt, C; Venkataramani, S.; Jana, U.; Näther, C; Sönnichsen, F D; Herges, R.","Rational design of a room temperature molecular spin switch. The light-driven coordination induced spin state switch (LD-CISSS) approach.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17395","17405","10.1039/c4dt03048f","","","0.71073","MoKα","","0.0676","0.0484","","","0.1015","0.1092","","","","","","1.057","","","","has coordinates,has disorder","180033","2020-10-21","18:00:00",""
"7032809","10.935","0.003","15.653","0.004","18.15","0.005","95.911","0.004","105.236","0.003","105.822","0.004","2832.4","1.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H66 F10 O4 Zn2 -","- C62 H66 F10 O4 Zn2 -","- C124 H132 F20 O8 Zn4 -","2","1","","Walton, Mark J.; Lancaster, Simon J.; Wright, Joseph A.; Elsegood, Mark R. J.; Redshaw, Carl","Zinc calixarene complexes for the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18001","18009","10.1039/c4dt02226b","","","0.6943","synchrotron","","0.0884","0.0458","","","0.0997","0.1179","","","","","","0.989","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032810","12.4407","0.0009","13.4833","0.0009","24.1096","0.0017","90.508","0.005","100.609","0.006","113.943","0.007","3617.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H72 O4 Zn2 -","- C52 H72 O4 Zn2 -","- C156 H216 O12 Zn6 -","3","1.5","","Walton, Mark J.; Lancaster, Simon J.; Wright, Joseph A.; Elsegood, Mark R. J.; Redshaw, Carl","Zinc calixarene complexes for the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18001","18009","10.1039/c4dt02226b","","x-ray","0.71073","MoKα","","0.1096","0.0789","","","0.2098","0.2282","","","","","","1.041","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032811","10.0724","0.0007","12.3152","0.0009","22.8866","0.0016","81.897","0.003","88.44","0.003","89.093","0.003","2809.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H84 N Na O4 Si2 Zn -","- C56 H84 N Na O4 Si2 Zn -","- C112 H168 N2 Na2 O8 Si4 Zn2 -","2","1","","Walton, Mark J.; Lancaster, Simon J.; Wright, Joseph A.; Elsegood, Mark R. J.; Redshaw, Carl","Zinc calixarene complexes for the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18001","18009","10.1039/c4dt02226b","","","0.71075","MoKα","","0.0426","0.0406","","","0.1135","0.1156","","","","","","1.055","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032812","16.9733","0.0014","20.4715","0.0017","21.2759","0.0017","91.246","0.006","109.931","0.008","102.477","0.007","6749","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C136 H152 F15 N5 O19 Zn6 -","- C136 H152 F15 N5 O19 Zn6 -","- C272 H304 F30 N10 O38 Zn12 -","2","1","","Walton, Mark J.; Lancaster, Simon J.; Wright, Joseph A.; Elsegood, Mark R. J.; Redshaw, Carl","Zinc calixarene complexes for the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18001","18009","10.1039/c4dt02226b","","","0.71073","MoKα","","0.2687","0.0862","","","0.0997","0.1421","","","","","","0.807","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032813","11.4696","0.0004","11.6432","0.0005","13.4883","0.0005","84.488","0.002","82.801","0.002","61.108","0.002","1563.33","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N10 Ni2 O2 -","- C32 H26 N10 Ni2 O2 -","- C64 H52 N20 Ni4 O4 -","2","1","","Jena, Himanshu Sekhar; Goswami, Soumyabrata; Sanda, Suresh; Parshamoni, Srinivasulu; Biswas, Soumava; Konar, Sanjit","A perception of ferro- and antiferromagnetic interactions in a two dimensional Ni(ii) heterochiral coordination polymer showing unusual CO2 uptake behavior.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","16996","16999","10.1039/c4dt02496f","","","0.71073","MoKα","","0.1108","0.051","","","0.1172","0.1378","","","","","","1.003","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032821","8.5105","0.0006","8.8219","0.0006","21.8277","0.0014","90","","90","","90","","1638.8","0.19","130","2","130","2","","","","","","","","5","P c a 21","P 2c -2ac","29","phthalonitrile","","","- C18 H17 N3 O2 S -","- C18 H17 N3 O2 S -","- C72 H68 N12 O8 S4 -","4","1","","Işci, Umit; Caner, Celal; Zorlu, Yunus; Gürek, Ayşe Gül; Dumoulin, Fabienne; Ahsen, Vefa","Sulfonamide-substituted iron phthalocyanine: design, solubility range, stability and oxidation of olefins.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17916","17919","10.1039/c4dt02412e","","","0.71073","MoKα","","0.0319","0.0295","","","0.0724","0.0742","","","","","","1.06","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032822","12.0348","0.0004","12.8584","0.0004","13.6481","0.0004","89.712","0.002","66.644","0.001","75.338","0.001","1864.98","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N4 O13 Zn2 -","- C36 H26 N4 O13 Zn2 -","- C72 H52 N8 O26 Zn4 -","2","1","","Singh, Divyendu; Nagaraja, C. M.","A luminescent 3D interpenetrating metal-organic framework for highly selective sensing of nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17912","17915","10.1039/c4dt02841d","","","0.71073","MoKα","","0.1067","0.0541","","","0.1217","0.1494","","","","","","1.033","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032823","14.6057","0.0004","16.4209","0.0004","10.7318","0.0003","90","","92.85","","90","","2570.72","0.12","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 Cl2 Cu N5 -","- C25 H37 Cl2 Cu N5 -","- C100 H148 Cl8 Cu4 N20 -","4","1","","Matson, Ellen M.; Gordon, Zachary; Lin, Benjamin; Nilges, Mark J.; Fout, Alison R.","Meridional vs. facial coordination geometries of a dipodal ligand framework featuring a secondary coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","16992","16995","10.1039/c4dt02327g","","","0.71073","MoKα","","0.0781","0.0497","","","0.1114","0.1202","","","","","","1.034","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032824","14.5749","0.0007","16.7758","0.0009","12.7588","0.0008","90","","93.857","0.002","90","","3112.5","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H43 Cl2 Fe N5 -","- C31 H43 Cl2 Fe N5 -","- C124 H172 Cl8 Fe4 N20 -","4","1","","Matson, Ellen M.; Gordon, Zachary; Lin, Benjamin; Nilges, Mark J.; Fout, Alison R.","Meridional vs. facial coordination geometries of a dipodal ligand framework featuring a secondary coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","16992","16995","10.1039/c4dt02327g","","","0.71073","MoKα","","0.0569","0.0468","","","0.1176","0.1216","","","","","","1.201","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032825","11.758","0.0008","13.0076","0.0014","14.4725","0.0019","101.478","0.004","101.608","0.004","114.634","0.003","1868.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H85.34 Cu2 F12 N10 O12 S4 -","- C66 H85.346 Cu2 F12 N10 O12 S4 -","- C66 H85.346 Cu2 F12 N10 O12 S4 -","1","0.5","","Matson, Ellen M.; Gordon, Zachary; Lin, Benjamin; Nilges, Mark J.; Fout, Alison R.","Meridional vs. facial coordination geometries of a dipodal ligand framework featuring a secondary coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","16992","16995","10.1039/c4dt02327g","","","0.71073","MoKα","","0.0715","0.0592","","","0.1527","0.1629","","","","","","1.047","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032826","17.892","0.0014","14.2547","0.0011","18.0808","0.0012","90","","92.851","0.003","90","","4605.7","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 Cu F6 N7 O6 S2 -","- C37 H45 Cu F6 N7 O6 S2 -","- C148 H180 Cu4 F24 N28 O24 S8 -","4","1","","Matson, Ellen M.; Gordon, Zachary; Lin, Benjamin; Nilges, Mark J.; Fout, Alison R.","Meridional vs. facial coordination geometries of a dipodal ligand framework featuring a secondary coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","16992","16995","10.1039/c4dt02327g","","","0.71073","MoKα","","0.039","0.0349","","","0.0924","0.0948","","","","","","1.102","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032827","13.4756","0.0013","19.984","0.002","32.753","0.004","90","","90","","90","","8820.3","1.6","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H55 F6 Mn N7 O8 S2 -","- C34.999 H55 F5.997 Mn N7 O7.997 S1.999 -","- C279.992 H440 F47.976 Mn8 N56 O63.976 S15.992 -","8","1","","Matson, Ellen M.; Gordon, Zachary; Lin, Benjamin; Nilges, Mark J.; Fout, Alison R.","Meridional vs. facial coordination geometries of a dipodal ligand framework featuring a secondary coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","16992","16995","10.1039/c4dt02327g","","","0.71073","MoKα","","0.074","0.0404","","","0.077","0.0886","","","","","","1.01","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032828","13.3678","0.0005","17.3124","0.0007","20.3828","0.0008","90","","90","","90","","4717.2","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H55 F6 Fe N7 O7 S2 -","- C41 H55 F6 Fe N7 O7 S2 -","- C164 H220 F24 Fe4 N28 O28 S8 -","4","1","","Matson, Ellen M.; Gordon, Zachary; Lin, Benjamin; Nilges, Mark J.; Fout, Alison R.","Meridional vs. facial coordination geometries of a dipodal ligand framework featuring a secondary coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","16992","16995","10.1039/c4dt02327g","","","0.71073","MoKα","","0.0419","0.0361","","","0.0933","0.0971","","","","","","1.011","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032829","9.87","0.002","11.998","0.002","23.533","0.005","98.97","0.03","99.89","0.03","90.65","0.03","2709.7","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H20 F2 Fe N5 O2 S -","- C33 H20 F2 Fe N5 O2 S -","- C132 H80 F8 Fe4 N20 O8 S4 -","4","2","","Phonsri, Wasinee; Harding, David J.; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Gass, Ian A.; Cashion, John D.; Jameson, Guy N. L.; Adams, Harry","Stepped spin crossover in Fe(iii) halogen substituted quinolylsalicylaldimine complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17509","17518","10.1039/c4dt01701c","","","0.71073","synchrotron","","0.0514","0.0496","","","0.1272","0.1285","","","","","","1.048","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032830","9.849","0.002","12.1","0.002","23.856","0.005","99.39","0.03","99.45","0.03","90.81","0.03","2764.4","1","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H20 F2 Fe N5 O2 S -","- C33 H20 F2 Fe N5 O2 S -","- C132 H80 F8 Fe4 N20 O8 S4 -","4","2","","Phonsri, Wasinee; Harding, David J.; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Gass, Ian A.; Cashion, John D.; Jameson, Guy N. L.; Adams, Harry","Stepped spin crossover in Fe(iii) halogen substituted quinolylsalicylaldimine complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17509","17518","10.1039/c4dt01701c","","","0.71073","synchrotron","","0.0498","0.0463","","","0.1258","0.1294","","","","","","1.059","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032831","9.919","0.002","12.084","0.002","23.951","0.005","99.55","0.03","99.39","0.03","90.62","0.03","2791","1","270","2","270","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H20 F2 Fe N5 O2 S -","- C33 H20 F2 Fe N5 O2 S -","- C132 H80 F8 Fe4 N20 O8 S4 -","4","2","","Phonsri, Wasinee; Harding, David J.; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Gass, Ian A.; Cashion, John D.; Jameson, Guy N. L.; Adams, Harry","Stepped spin crossover in Fe(iii) halogen substituted quinolylsalicylaldimine complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17509","17518","10.1039/c4dt01701c","","","0.71073","synchrotron","","0.0607","0.054","","","0.1525","0.1589","","","","","","1.064","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032832","10.0244","0.0012","12.1032","0.0014","13.0961","0.0016","105.652","0.007","97.91","0.008","98.813","0.007","1485","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H24 Cl2 Fe N5 O3 S -","- C34 H24 Cl2 Fe N5 O3 S -","- C68 H48 Cl4 Fe2 N10 O6 S2 -","2","1","","Phonsri, Wasinee; Harding, David J.; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Gass, Ian A.; Cashion, John D.; Jameson, Guy N. L.; Adams, Harry","Stepped spin crossover in Fe(iii) halogen substituted quinolylsalicylaldimine complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17509","17518","10.1039/c4dt01701c","","","0.71073","MoKα","","0.1829","0.0818","","","0.1755","0.2156","","","","","","1.035","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032833","10.1777","0.0006","12.7832","0.0008","25.5491","0.0018","76.095","0.002","79.175","0.003","77.517","0.002","3117.8","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H24 Br2 Fe N5 O3 S -","- C34 H24 Br2 Fe N5 O3 S -","- C136 H96 Br8 Fe4 N20 O12 S4 -","4","2","","Phonsri, Wasinee; Harding, David J.; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Gass, Ian A.; Cashion, John D.; Jameson, Guy N. L.; Adams, Harry","Stepped spin crossover in Fe(iii) halogen substituted quinolylsalicylaldimine complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17509","17518","10.1039/c4dt01701c","","","0.71073","MoKα","","0.1406","0.0684","","","0.1381","0.1639","","","","","","1.017","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032834","10.3118","0.0006","12.8729","0.0008","25.6592","0.0016","76.441","0.002","79.516","0.002","77.756","0.002","3204.3","0.3","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H24 Br2 Cl0 Fe N5 O3 S -","- C34 H24 Br2 Fe N5 O3 S -","- C136 H96 Br8 Fe4 N20 O12 S4 -","4","2","","Phonsri, Wasinee; Harding, David J.; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Gass, Ian A.; Cashion, John D.; Jameson, Guy N. L.; Adams, Harry","Stepped spin crossover in Fe(iii) halogen substituted quinolylsalicylaldimine complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17509","17518","10.1039/c4dt01701c","","","0.71073","MoKα","","0.1624","0.0631","","","0.1476","0.1907","","","","","","0.93","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032835","20.8247","0.001","23.9937","0.0011","12.6558","0.0005","90","","91.107","0.001","90","","6322.4","0.5","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C67.5 H42.4 Cl Fe2 I4 N10 O5 S2 -","- C67.5 H45 Cl Fe2 I4 N10 O5 S2 -","- C270 H180 Cl4 Fe8 I16 N40 O20 S8 -","4","1","","Phonsri, Wasinee; Harding, David J.; Harding, Phimphaka; Murray, Keith S.; Moubaraki, Boujemaa; Gass, Ian A.; Cashion, John D.; Jameson, Guy N. L.; Adams, Harry","Stepped spin crossover in Fe(iii) halogen substituted quinolylsalicylaldimine complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17509","17518","10.1039/c4dt01701c","","","0.71073","MoKα","","0.0856","0.0461","","","0.1017","0.1167","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7032836","13.3355","0.0011","14.6602","0.0011","15.0833","0.001","67.191","0.005","75.636","0.006","89.943","0.007","2618.2","0.4","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C108 H108 Cl2 Cu2 N20 O12 S -","- C108 H108 Cl2 Cu2 N20 O12 S -","- C108 H108 Cl2 Cu2 N20 O12 S -","1","0.5","","Mochizuki, Masaru; Inoue, Tatsunari; Yamanishi, Katsunori; Koike, Shiori; Kondo, Mitsuru; Zhang, Liang; Aoki, Hiromi","Efficient removal of perchlorate ion from water by a water-insoluble M2L4 type compound.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17924","17927","10.1039/c4dt02900c","","","0.7107","MoKα","","","0.0871","","","","0.1943","","","","","","1.013","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032837","19.508","0.015","24.484","0.019","13.377","0.012","90","","126.072","0.007","90","","5164","7","293","","293","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C100 H112 Cu2 N16 O16 S2 -","- C100 H96 Cu2 N16 O16 S2 -","- C200 H192 Cu4 N32 O32 S4 -","2","0.25","","Mochizuki, Masaru; Inoue, Tatsunari; Yamanishi, Katsunori; Koike, Shiori; Kondo, Mitsuru; Zhang, Liang; Aoki, Hiromi","Efficient removal of perchlorate ion from water by a water-insoluble M2L4 type compound.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17924","17927","10.1039/c4dt02900c","","","0.7107","MoKα","","","0.0868","","","","0.2413","","","","","","1.104","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032854","20.082","0.0011","12.479","0.0007","25.495","0.0012","90","","95.975","0.003","90","","6354.4","0.6","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C83 H72 N2 -","- C83 H72 N2 -","- C332 H288 N8 -","4","1","","Saberov, Vagiz Sh; Evans, Daniel A.; Korotkikh, Nikolai I.; Cowley, Alan H.; Pekhtereva, Tatyana M.; Popov, Anatolii F.; Shvaika, Oles P.","Exceptionally efficient catalytic hydrodechlorination of persistent organic pollutants: application of new sterically shielded palladium carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18117","18122","10.1039/c4dt02908a","","","0.71073","MoKα","","0.1128","0.0668","","","0.155","0.2097","","","","","","1.039","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032855","16.259","0.0003","17.119","0.0004","21.246","0.0003","81.49","0.004","75.16","0.004","89.228","0.004","5651.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H72 I4 N4 Pd2 -","- C54 H72 I4 N4 Pd2 -","- C216 H288 I16 N16 Pd8 -","4","2","","Saberov, Vagiz Sh; Evans, Daniel A.; Korotkikh, Nikolai I.; Cowley, Alan H.; Pekhtereva, Tatyana M.; Popov, Anatolii F.; Shvaika, Oles P.","Exceptionally efficient catalytic hydrodechlorination of persistent organic pollutants: application of new sterically shielded palladium carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18117","18122","10.1039/c4dt02908a","","","0.71073","MoKα","","0.0517","0.04","","","0.0919","0.1023","","","","","","1.09","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032856","20.878","0.004","13.816","0.003","24.98","0.004","90","","100.548","0.013","90","","7084","2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C81 H71 Cl2 N7 Pd -","- C81 H71 Cl2 N7 Pd -","- C324 H284 Cl8 N28 Pd4 -","4","0.5","","Saberov, Vagiz Sh; Evans, Daniel A.; Korotkikh, Nikolai I.; Cowley, Alan H.; Pekhtereva, Tatyana M.; Popov, Anatolii F.; Shvaika, Oles P.","Exceptionally efficient catalytic hydrodechlorination of persistent organic pollutants: application of new sterically shielded palladium carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18117","18122","10.1039/c4dt02908a","","","0.71073","MoKα","","0.0607","0.0583","","","0.1605","0.163","","","","","","1.085","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032884","18.6655","0.0008","21.3909","0.0009","19.2081","0.001","90","","109.48","0.005","90","","7230.2","0.6","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H92 Cl2 O4 Th -","- C80 H92 Cl2 O4 Th -","- C320 H368 Cl8 O16 Th4 -","4","0.5","","McKinven, Jamie; Nichol, Gary S.; Arnold, Polly L.","Arene-ligated heteroleptic terphenolate complexes of thorium.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17416","17421","10.1039/c4dt02995j","","","0.71073","MoKα","","0.0672","0.0479","","","0.1123","0.1219","","","","","","1.099","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032885","8.3108","0.0002","12.9109","0.0003","12.9173","0.0002","99.86","0.002","98.224","0.002","98.203","0.002","1331.5","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C59 H76 B2 O4 Th -","- C59 H76.25 B2 O4 Th -","- C59 H76.25 B2 O4 Th -","1","1","","McKinven, Jamie; Nichol, Gary S.; Arnold, Polly L.","Arene-ligated heteroleptic terphenolate complexes of thorium.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17416","17421","10.1039/c4dt02995j","","","1.54184","CuKα","","0.0274","0.0274","","","0.0635","0.0635","","","","","","1.08","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032886","22.1631","0.0018","21.5236","0.0013","10.9028","0.0008","90","","122.674","0.011","90","","4377.9","0.8","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 B2 O2 Th -","- C48 H58 B2 O2 Th -","- C192 H232 B8 O8 Th4 -","4","1","","McKinven, Jamie; Nichol, Gary S.; Arnold, Polly L.","Arene-ligated heteroleptic terphenolate complexes of thorium.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17416","17421","10.1039/c4dt02995j","","","0.71073","MoKα","","0.1283","0.0919","","","0.1834","0.195","","","","","","1.234","","","","has coordinates","189363","2020-10-21","18:00:00",""
"7032887","12.964","0.0002","14.7824","0.0002","17.7705","0.0003","75.461","0.001","77.937","0.001","75.781","0.001","3155.84","0.09","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C71.38 H78.38 B2 N2 O2 Th -","- C71.3819 H78.3819 B2 N2 O2 Th -","- C142.764 H156.764 B4 N4 O4 Th2 -","2","1","","McKinven, Jamie; Nichol, Gary S.; Arnold, Polly L.","Arene-ligated heteroleptic terphenolate complexes of thorium.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17416","17421","10.1039/c4dt02995j","","","0.71073","MoKα","","0.0266","0.0227","","","0.0535","0.055","","","","","","1.074","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032888","13.342","0.005","14.04","0.005","23.743","0.005","95.48","0.005","104.752","0.005","110.128","0.005","3955","2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C88.35 H83.35 Cl2 N7 O2 Th -","- C88.36 H83.36 Cl2 N7 O2 Th -","- C176.72 H166.72 Cl4 N14 O4 Th2 -","2","1","","McKinven, Jamie; Nichol, Gary S.; Arnold, Polly L.","Arene-ligated heteroleptic terphenolate complexes of thorium.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17416","17421","10.1039/c4dt02995j","","","0.71073","MoKα","","0.0756","0.0492","","","0.1152","0.124","","","","","","1","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032901","9.65","0.004","15.353","0.006","25.967","0.011","90","","90","","90","","3847","3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H27 Cl Ir N6 O -","- C41 H27 Cl Ir N6 O -","- C164 H108 Cl4 Ir4 N24 O4 -","4","1","","Mandal, Soumik; Poria, Dipak K.; Ghosh, Ritabrata; Ray, Partho Sarothi; Gupta, Parna","Development of a cyclometalated iridium complex with specific intramolecular hydrogen-bonding that acts as a fluorescent marker for the endoplasmic reticulum and causes photoinduced cell death.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17463","17474","10.1039/c4dt00845f","","","0.71073","MoKα","","0.0986","0.0657","","","0.1352","0.1487","","","","","","0.955","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032938","16.6922","0.0012","10.7697","0.0008","20.4145","0.0015","90","","93.0439","0.001","90","","3664.7","0.5","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 Cl2 N O4 V -","- C36 H56 Cl2 N O4 V -","- C144 H224 Cl8 N4 O16 V4 -","4","1","","Hananouchi, Steven; Krull, Brandon T.; Ziller, Joseph W.; Furche, Filipp; Heyduk, Alan F.","Metal effects on ligand non-innocence in Group 5 complexes of the redox-active [ONO] pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17991","18000","10.1039/c4dt02259a","","","0.71073","MoKα","","0.0473","0.041","","","0.0961","0.0994","","","","","","1.111","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032939","14.571","0.001","15.9423","0.0011","17.0831","0.0012","90","","90","","90","","3968.3","0.5","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H62 Cl2 N Nb O3 -","- C37 H62 Cl2 N Nb O3 -","- C148 H248 Cl8 N4 Nb4 O12 -","4","1","","Hananouchi, Steven; Krull, Brandon T.; Ziller, Joseph W.; Furche, Filipp; Heyduk, Alan F.","Metal effects on ligand non-innocence in Group 5 complexes of the redox-active [ONO] pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17991","18000","10.1039/c4dt02259a","","","0.71073","MoKα","","0.0241","0.0228","","","0.058","0.0587","","","","","","1.058","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032940","9.5015","0.0008","22.5812","0.0019","31.221","0.003","90","","91.0821","0.0014","90","","6697.4","1","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H44 Cl3 N O2 V -","- C31.5 H44 Cl3 N O2 V -","- C252 H352 Cl24 N8 O16 V8 -","8","2","","Hananouchi, Steven; Krull, Brandon T.; Ziller, Joseph W.; Furche, Filipp; Heyduk, Alan F.","Metal effects on ligand non-innocence in Group 5 complexes of the redox-active [ONO] pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17991","18000","10.1039/c4dt02259a","","","0.71073","MoKα","","0.1041","0.059","","","0.1124","0.1287","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7032941","18.7255","0.0012","27.2787","0.0017","11.955","0.0007","90","","90","","90","","6106.7","0.7","143","2","143","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C28 H40 Cl3 N Nb O2 -","- C28 H40 Cl3 N Nb O2 -","- C224 H320 Cl24 N8 Nb8 O16 -","8","0.5","","Hananouchi, Steven; Krull, Brandon T.; Ziller, Joseph W.; Furche, Filipp; Heyduk, Alan F.","Metal effects on ligand non-innocence in Group 5 complexes of the redox-active [ONO] pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17991","18000","10.1039/c4dt02259a","","","0.71073","MoKα","","0.022","0.0198","","","0.0464","0.0473","","","","","","1.078","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7033011","11.2305","0.0009","19.7226","0.0017","11.1563","0.001","90","","104.669","0.003","90","","2390.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 N4 O P S2 -","- C22 H31 N4 O P S2 -","- C88 H124 N16 O4 P4 S8 -","4","1","","Majhi, Paresh Kumar; Schnakenburg, Gregor; Streubel, Rainer","From bis(imidazole-2-thion-4-yl)phosphane to a flexible P-bridged bis(NHC) ligand and its silver complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16673","16679","10.1039/c4dt02479f","","","0.71073","MoKα","","0.0774","0.0421","","","0.0884","0.0999","","","","","","1.019","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033331","12.2999","0.0015","10.4788","0.0013","17.361","0.002","90","","90.753","0.002","90","","2237.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl2 N2 O Sn -","- C26 H18 Cl2 N2 O Sn -","- C104 H72 Cl8 N8 O4 Sn4 -","4","1","","Grusenmeyer, Tod A.; King, Albert W.; Mague, Joel T.; Rack, Jeffrey J.; Schmehl, Russell H.","Sn(iv) Schiff base complexes: triplet photosensitizers for photoredox reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17754","17765","10.1039/c4dt01427h","","","0.71073","MoKα","","0.0393","0.0288","","","0.0639","0.0696","","","","","","1.047","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033332","23.5629","0.0005","11.2171","0.0002","16.9265","0.0003","90","","90.415","0.001","90","","4473.68","0.15","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl2 N2 O Sn -","- C22 H16 Cl2 N2 O Sn -","- C176 H128 Cl16 N16 O8 Sn8 -","8","1","","Grusenmeyer, Tod A.; King, Albert W.; Mague, Joel T.; Rack, Jeffrey J.; Schmehl, Russell H.","Sn(iv) Schiff base complexes: triplet photosensitizers for photoredox reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17754","17765","10.1039/c4dt01427h","","","0.71073","MoKα","","0.0286","0.0243","","","0.0623","0.0643","","","","","","1.047","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033333","9.497","0.0006","11.2897","0.0007","12.8081","0.0008","79.475","0.002","85.523","0.002","89.286","0.001","1346.04","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Cl4 N3 O Sn -","- C27 H27 Cl4 N3 O Sn -","- C54 H54 Cl8 N6 O2 Sn2 -","2","1","","Grusenmeyer, Tod A.; King, Albert W.; Mague, Joel T.; Rack, Jeffrey J.; Schmehl, Russell H.","Sn(iv) Schiff base complexes: triplet photosensitizers for photoredox reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17754","17765","10.1039/c4dt01427h","","","1.54178","CuKα","","0.0197","0.0191","","","0.0469","0.0473","","","","","","1.067","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033334","23.2013","0.0008","10.828","0.0004","28.3103","0.0009","90","","98.767","0.002","90","","7029.1","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Br Cl2 N2 O Sn -","- C22 H15 Br Cl2 N2 O Sn -","- C264 H180 Br12 Cl24 N24 O12 Sn12 -","12","3","","Grusenmeyer, Tod A.; King, Albert W.; Mague, Joel T.; Rack, Jeffrey J.; Schmehl, Russell H.","Sn(iv) Schiff base complexes: triplet photosensitizers for photoredox reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17754","17765","10.1039/c4dt01427h","","","0.71073","MoKα","","0.0609","0.0389","","","0.0772","0.0832","","","","","","1.054","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033424","5.8012","0.0003","5.8012","0.0003","35.675","0.002","90","","90","","120","","1039.75","0.1","","","298","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba15 Li3 Nb12 O45 -","- Ba5 Li Nb4 O15 -","- Ba15 Li3 Nb12 O45 -","3","0.0833333","","Perejon, Antonio; Hayward, Michael Andrew","Reductive Lithium Insertion into B-cation deficient Niobium Perovskite Oxides","Dalton Trans.","2014","","","","","10.1039/C4DT03193H","","","","neutron","","","","","","","","","","","","","","","","","has coordinates","277882","2022-09-15","13:42:47",""
"7036112","9.52546","0.00014","5.08862","0.00021","8.0901","0.00081","90","","90.8678","0.0057","90","","392.09","0.04","300","","300","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cs Eu Mo2 O8 -","- Cs Eu Mo2 O8 -","- Cs2 Eu2 Mo4 O16 -","2","0.5","","Pinglu Shi; Zhiguo Xia; Molokeev Maxim; Victor Atuchin","Crystal Chemistry and Luminescent Properties of Red-Emitting CsGd1-xEux(MoO4)2 Solid-Solution Phosphors","Dalton Transactions","2014","43","25","9669","9676","10.1039/C4DT00339J","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.28","1.768","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036113","9.52564","0.00017","5.08836","0.00018","8.08806","0.00088","90","","90.9525","0.005","90","","391.97","0.05","300","","300","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- Cs2 Eu1.6 Gd0.4 Mo4 O16 -","- Cs2 Eu1.6 Gd0.4 Mo4 O16 -","- Cs2 Eu1.6 Gd0.4 Mo4 O16 -","1","0.25","","Pinglu Shi; Zhiguo Xia; Molokeev Maxim; Victor Atuchin","Crystal Chemistry and Luminescent Properties of Red-Emitting CsGd1-xEux(MoO4)2 Solid-Solution Phosphors","Dalton Transactions","2014","43","25","9669","9676","10.1039/C4DT00339J","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.92","1.644","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036114","9.5247","0.00014","5.08624","0.00023","8.0769","0.0012","90","","91.0231","0.0063","90","","391.22","0.06","300","","300","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- Cs2 Eu1.2 Gd0.8 Mo4 O16 -","- Cs2 Eu1.2 Gd0.8 Mo4 O16 -","- Cs2 Eu1.2 Gd0.8 Mo4 O16 -","1","0.25","","Pinglu Shi; Zhiguo Xia; Molokeev Maxim; Victor Atuchin","Crystal Chemistry and Luminescent Properties of Red-Emitting CsGd1-xEux(MoO4)2 Solid-Solution Phosphors","Dalton Transactions","2014","43","25","9669","9676","10.1039/C4DT00339J","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.769","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036115","9.52642","0.00021","5.08366","0.00023","8.07016","0.0008","90","","91.0845","0.006","90","","390.76","0.04","300","","300","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- Cs2 Eu0.8 Gd1.2 Mo4 O16 -","- Cs2 Eu0.8 Gd1.2 Mo4 O16 -","- Cs2 Eu0.8 Gd1.2 Mo4 O16 -","1","0.25","","Pinglu Shi; Zhiguo Xia; Molokeev Maxim; Victor Atuchin","Crystal Chemistry and Luminescent Properties of Red-Emitting CsGd1-xEux(MoO4)2 Solid-Solution Phosphors","Dalton Transactions","2014","43","25","9669","9676","10.1039/C4DT00339J","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.19","1.703","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036116","9.52609","0.00015","5.08097","0.00018","8.06233","0.00064","90","","91.1539","0.0055","90","","390.15","0.03","300","","300","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- Cs2 Eu0.4 Gd1.6 Mo4 O16 -","- Cs2 Eu0.4 Gd1.6 Mo4 O16 -","- Cs2 Eu0.4 Gd1.6 Mo4 O16 -","1","0.25","","Pinglu Shi; Zhiguo Xia; Molokeev Maxim; Victor Atuchin","Crystal Chemistry and Luminescent Properties of Red-Emitting CsGd1-xEux(MoO4)2 Solid-Solution Phosphors","Dalton Transactions","2014","43","25","9669","9676","10.1039/C4DT00339J","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.82","1.564","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036117","9.52748","0.00019","5.08068","0.00017","8.05913","0.00052","90","","91.192","0.0052","90","","390.03","0.03","300","","300","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- Cs2 Eu0.1 Gd1.9 Mo4 O16 -","- Cs2 Eu0.1 Gd1.9 Mo4 O16 -","- Cs2 Eu0.1 Gd1.9 Mo4 O16 -","1","0.25","","Pinglu Shi; Zhiguo Xia; Molokeev Maxim; Victor Atuchin","Crystal Chemistry and Luminescent Properties of Red-Emitting CsGd1-xEux(MoO4)2 Solid-Solution Phosphors","Dalton Transactions","2014","43","25","9669","9676","10.1039/C4DT00339J","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.24","1.691","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036118","9.52885","0.0002","5.0823","0.00023","8.05626","0.00072","90","","91.2458","0.0058","90","","390.06","0.04","300","","300","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cs Gd Mo2 O8 -","- Cs Gd Mo2 O8 -","- Cs2 Gd2 Mo4 O16 -","2","0.5","","Pinglu Shi; Zhiguo Xia; Molokeev Maxim; Victor Atuchin","Crystal Chemistry and Luminescent Properties of Red-Emitting CsGd1-xEux(MoO4)2 Solid-Solution Phosphors","Dalton Transactions","2014","43","25","9669","9676","10.1039/C4DT00339J","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.39","1.888","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"7036760","4.1307","0.0013","17.9042","0.0002","10.3021","0.001","90","","90.331","0.006","90","","761.9","0.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Br O2 Sb Zn0.902 -","- Br O1.9225 Sb Zn0.75 -","- Br8 O15.38 Sb8 Zn6 -","8","4","","Zimmermann, Iwan; Corgnet, Alexis; Johnsson, Mats; Lidin, Sven","Synthesis and crystal structure of a series of incommensurately modulated composite oxohalide compounds.","Dalton transactions (Cambridge, England : 2003)","2014","","","","","10.1039/c4dt02084g","","","0.7107","MoKα","","0.2549","0.0982","","","0.1017","0.1444","","","","2.02","2.02","1.4","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036761","4.0634","0.0006","17.163","0.002","10.4699","0.0013","90","","91.024","0.011","90","","730.06","0.16","293","","293","","","","","","","","","4","P 1 21 1 (a-1/4,b,c)","P 2yb (x+1/4,y,z)","4","","","","- Cl4 O7.61 Sb4 Zn3.61 -","- Cl4 O7.61 Sb4 Zn3 -","- Cl8 O15.22 Sb8 Zn6 -","2","","","Zimmermann, Iwan; Corgnet, Alexis; Johnsson, Mats; Lidin, Sven","Synthesis and crystal structure of a series of incommensurately modulated composite oxohalide compounds.","Dalton transactions (Cambridge, England : 2003)","2014","","","","","10.1039/c4dt02084g","","","0.7107","MoKα","","0.3403","0.0714","","","0.069","0.1404","","","","1.39","1.39","1.13","","","","has coordinates","160847","2020-10-21","18:00:00",""
"7036770","4.271","0.0008","18.508","0.003","10.6741","0.0014","90","","90.054","0.013","90","","843.8","0.2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- I4 O8 Sb4 Zn3.682 -","- I4 O7.69 Sb4 Zn3 -","- I8 O15.38 Sb8 Zn6 -","2","1","","Zimmermann, Iwan; Corgnet, Alexis; Johnsson, Mats; Lidin, Sven","Synthesis and crystal structure of a series of incommensurately modulated composite oxohalide compounds.","Dalton transactions (Cambridge, England : 2003)","2014","","","","","10.1039/c4dt02084g","","","0.7107","MoKα","","0.2432","0.0729","","","0.0711","0.1082","","","","1.51","1.51","1.12","","","","has coordinates","160942","2020-10-21","18:00:00",""
"7045768","8.25232","0.00023","12.95345","0.00037","4.98192","0.00014","90","","92.8283","0.0014","90","","531.9","0.03","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","?beta-Li2MnP2O7?","- Li2 Mn O7 P2 -","- Li2 Mn O7 P2 -","- Li8 Mn4 O28 P8 -","4","1","","Nishimura, Shin-ichi; Natsui, Ryuichi; Yamada, Atsuo","A new polymorph of lithium manganese(ii) pyrophosphate β-Li2MnP2O7","Dalton Trans.","2014","43","4","1502","","10.1039/C3DT52347K","","","","","","","","","","","","","","","","","","","","","has coordinates","206769","2020-10-21","18:00:00",""
"7053837","11.652","0.003","13.436","0.004","17.311","0.004","89.705","0.007","77.957","0.007","89.449","0.007","2650.4","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H50 Cl Mn4 N12 Na O21 -","- C35 H50 Cl Mn4 N12 Na O21 -","- C70 H100 Cl2 Mn8 N24 Na2 O42 -","2","1","","Cong, Linlin; Qin, Xiaoting; Sun, Wei; Wang, Yanqin; Ding, Shuai; Liu, Zhiliang","A series of [NaMnIII3MnII] clusters constructed using a multidentate Schiff-base ligand and decorated with different auxiliary ligands","New Journal of Chemistry","2014","38","2","545","","10.1039/c3nj00742a","","","0.71075","MoKα","","0.1206","0.1094","","","0.3435","0.3578","","","","","","1.35","","","","has coordinates,has disorder","180092","2020-10-21","18:00:00",""
"7053838","12.01","0.002","13.787","0.003","16.094","0.003","94.06","0.03","106.74","0.03","109.78","0.03","2359.1","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H47 Cl Mn4 N12 Na O19 -","- C35 H47 Cl Mn4 N12 Na O19 -","- C70 H94 Cl2 Mn8 N24 Na2 O38 -","2","1","","Cong, Linlin; Qin, Xiaoting; Sun, Wei; Wang, Yanqin; Ding, Shuai; Liu, Zhiliang","A series of [NaMnIII3MnII] clusters constructed using a multidentate Schiff-base ligand and decorated with different auxiliary ligands","New Journal of Chemistry","2014","38","2","545","","10.1039/c3nj00742a","","","0.71073","MoKα","","0.0934","0.0744","","","0.185","0.1959","","","","","","1.089","","","","has coordinates,has disorder","180092","2020-10-21","18:00:00",""
"7053839","11.996","0.003","13.521","0.003","16.09","0.003","92.969","0.002","90.744","0.004","112.64","0.004","2403.9","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H50 Cl Mn4 N3 Na O27 -","- C36 H50 Cl Mn4 N3 Na O27 -","- C72 H100 Cl2 Mn8 N6 Na2 O54 -","2","1","","Cong, Linlin; Qin, Xiaoting; Sun, Wei; Wang, Yanqin; Ding, Shuai; Liu, Zhiliang","A series of [NaMnIII3MnII] clusters constructed using a multidentate Schiff-base ligand and decorated with different auxiliary ligands","New Journal of Chemistry","2014","38","2","545","","10.1039/c3nj00742a","","","0.71073","MoKα","","0.0526","0.042","","","0.1071","0.1117","","","","","","1.057","","","","has coordinates,has disorder","180092","2020-10-21","18:00:00",""
"7053840","14.061","0.003","14.937","0.003","18.31","0.004","84.71","0.03","74.37","0.03","63.73","0.03","3319.3","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H65 Cl1.5 Mn4 N3 Na O29 -","- C55 H65 Cl1.5 Mn4 N3 Na O29 -","- C110 H130 Cl3 Mn8 N6 Na2 O58 -","2","1","","Cong, Linlin; Qin, Xiaoting; Sun, Wei; Wang, Yanqin; Ding, Shuai; Liu, Zhiliang","A series of [NaMnIII3MnII] clusters constructed using a multidentate Schiff-base ligand and decorated with different auxiliary ligands","New Journal of Chemistry","2014","38","2","545","","10.1039/c3nj00742a","","","0.71073","MoKα","","0.1751","0.0995","","","0.2601","0.3379","","","","","","0.994","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053841","9.506","0.0019","15.001","0.003","15.777","0.003","90","","94.68","0.03","90","","2242.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 B F4 N O7 -","- C18 H30 B F4 N O7 -","- C72 H120 B4 F16 N4 O28 -","4","1","","Luo, Yang-Hui; Ge, Shu-Wang; Song, Wen-Tao; Sun, Bai-Wang","Supramolecular assembly and host‒guest interaction of crown ether with inorganic acid and organic amine containing carboxyl groups","New Journal of Chemistry","2014","38","2","723","","10.1039/c3nj01005h","","","0.71073","MoKα","","0.2047","0.1093","","","0.2954","0.3653","","","","","","1.015","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053842","9.597","0.0019","15.241","0.003","15.677","0.003","90","","93.9","0.03","90","","2287.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Cl N O11 -","- C18 H30 Cl N O11 -","- C72 H120 Cl4 N4 O44 -","4","1","","Luo, Yang-Hui; Ge, Shu-Wang; Song, Wen-Tao; Sun, Bai-Wang","Supramolecular assembly and host‒guest interaction of crown ether with inorganic acid and organic amine containing carboxyl groups","New Journal of Chemistry","2014","38","2","723","","10.1039/c3nj01005h","","","0.71073","MoKα","","0.1668","0.0945","","","0.2513","0.3006","","","","","","1.074","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053843","23.27","0.005","12.926","0.003","19.947","0.004","90","","117.76","0.03","90","","5309","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 B F4 N O8 -","- C20 H34 B F4 N O8 -","- C160 H272 B8 F32 N8 O64 -","8","1","","Luo, Yang-Hui; Ge, Shu-Wang; Song, Wen-Tao; Sun, Bai-Wang","Supramolecular assembly and host‒guest interaction of crown ether with inorganic acid and organic amine containing carboxyl groups","New Journal of Chemistry","2014","38","2","723","","10.1039/c3nj01005h","","","0.71073","MoKα","","0.1684","0.0805","","","0.1885","0.2333","","","","","","1.051","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053844","9.3105","0.0019","10.982","0.002","11.809","0.002","82.8","0.03","89.03","0.03","85.61","0.03","1194.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H32 B F4 N O8 -","- C19 H32 B F4 N O8 -","- C38 H64 B2 F8 N2 O16 -","2","1","","Luo, Yang-Hui; Ge, Shu-Wang; Song, Wen-Tao; Sun, Bai-Wang","Supramolecular assembly and host‒guest interaction of crown ether with inorganic acid and organic amine containing carboxyl groups","New Journal of Chemistry","2014","38","2","723","","10.1039/c3nj01005h","","","0.71073","MoKα","","0.2934","0.1125","","","0.2889","0.3904","","","","","","0.942","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053845","7.1105","0.0014","9.868","0.002","12.576","0.003","73.23","0.03","78.56","0.03","70.79","0.03","792.6","0.3","263","2","263","2","","","","","","","","4","P -1","-P 1","2","<i>N</i>,<i>N</i>-Bis(4-fluorophenyl)-<i>N</i>,<i>N</i>'-di(n-butyl) quinaridonediimine","<i>N</i>,<i>N</i>-Bis(4-fluorophenyl)-<i>N</i>,<i>N</i>'-di(n-butyl) quinaridonediimine","","- C40 H36 F2 N4 -","- C40 H36 F2 N4 -","- C40 H36 F2 N4 -","1","0.5","","Javed, Iqbal; Khurshid, Ayub; Arshad, Muhammad Nadeem; Wang, Yue","Photophysical and electrochemical properties and temperature dependent geometrical isomerism in alkyl quinacridonediimines","New Journal of Chemistry","2014","38","2","752","","10.1039/c3nj00477e","","","0.71073","MoKα","","0.0604","0.0461","","","0.1229","0.1305","","","","","","1.084","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053846","8.602","0.005","13.889","0.008","15.854","0.01","70.4","0.02","79.41","0.02","88.92","0.018","1752.1","1.8","263","2","263","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>,<i>N</i>-Diphenyl-<i>N</i>,<i>N</i>'-di(n-butyl)-2,9-difluoro quinacridonediimine","<i>N</i>,<i>N</i>-Diphenyl-<i>N</i>,<i>N</i>'-di(n-butyl)-2,9-difluoro quinacridonediimine","","- C41 H38 Cl2 F2 N4 -","- C41 H38 Cl2 F2 N4 -","- C82 H76 Cl4 F4 N8 -","2","1","","Javed, Iqbal; Khurshid, Ayub; Arshad, Muhammad Nadeem; Wang, Yue","Photophysical and electrochemical properties and temperature dependent geometrical isomerism in alkyl quinacridonediimines","New Journal of Chemistry","2014","38","2","752","","10.1039/c3nj00477e","","","0.71073","MoKα","","0.095","0.0631","","","0.1935","0.2208","","","","","","0.963","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053847","8.778","0.005","9.171","0.006","13.365","0.008","71.67","0.03","72.14","0.02","62.81","0.03","891.4","1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","<i>N</i>,<i>N</i>-Bis(4-fluorophenyl)-<i>N</i>,<i>N</i>'-di(n-butyl)-1,3,8,10- tetramethylquinacridonediimine","<i>N</i>,<i>N</i>-Bis(4-fluorophenyl)-<i>N</i>,<i>N</i>'-di(n-butyl)-1,3,8,10- tetramethylquinacridonediimine","","- C44 H44 F2 N4 -","- C44 H44 F2 N4 -","- C44 H44 F2 N4 -","1","0.5","","Javed, Iqbal; Khurshid, Ayub; Arshad, Muhammad Nadeem; Wang, Yue","Photophysical and electrochemical properties and temperature dependent geometrical isomerism in alkyl quinacridonediimines","New Journal of Chemistry","2014","38","2","752","","10.1039/c3nj00477e","","","0.71073","MoKα","","0.0793","0.0549","","","0.1479","0.1605","","","","","","1.06","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053848","7.3925","0.0015","9.2554","0.0019","12.899","0.003","88.42","0.03","75.51","0.03","87.38","0.03","853.5","0.3","263","2","263","2","","","","","","","","4","P -1","-P 1","2","<i>N</i>,<i>N</i>-Bis(2,3,4,5,6-pentafluorophenyl)-<i>N</i>,<i>N</i>'- di(n-butyl)quinaridonediimine","<i>N</i>,<i>N</i>-Bis(2,3,4,5,6-pentafluorophenyl)-<i>N</i>,<i>N</i>'- di(n-butyl)quinaridonediimine","","- C40 H28 F10 N4 -","- C40 H28 F10 N4 -","- C40 H28 F10 N4 -","1","0.5","","Javed, Iqbal; Khurshid, Ayub; Arshad, Muhammad Nadeem; Wang, Yue","Photophysical and electrochemical properties and temperature dependent geometrical isomerism in alkyl quinacridonediimines","New Journal of Chemistry","2014","38","2","752","","10.1039/c3nj00477e","","","0.71073","MoKα","","0.0847","0.0598","","","0.1677","0.1831","","","","","","1.05","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053849","16.453","0.003","7.222","0.0014","31.554","0.01","90","","110.38","0.03","90","","3514.7","1.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","<i>N</i>,<i>N</i>-Bis(3,5-dimethylphenyl)-<i>N</i>,<i>N</i>'-di(n-butyl)-2,9- difluoroquinacridonediimine","<i>N</i>,<i>N</i>-Bis(3,5-dimethylphenyl)-<i>N</i>,<i>N</i>'-di(n-butyl)-2,9- difluoroquinacridonediimine","","- C44 H44 F2 N4 -","- C44 H44 F2 N4 -","- C176 H176 F8 N16 -","4","0.5","","Javed, Iqbal; Khurshid, Ayub; Arshad, Muhammad Nadeem; Wang, Yue","Photophysical and electrochemical properties and temperature dependent geometrical isomerism in alkyl quinacridonediimines","New Journal of Chemistry","2014","38","2","752","","10.1039/c3nj00477e","","","0.71073","MoKα","","0.1218","0.0642","","","0.1385","0.162","","","","","","1.028","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053850","8.8472","0.0018","9.2195","0.0018","14.044","0.003","84.46","0.03","76.26","0.03","64.35","0.03","1003.1","0.5","263","2","263","2","","","","","","","","3","P -1","-P 1","2","<i>N</i>,<i>N</i>-Bis(4-cyanophenyl)-<i>N</i>,<i>N</i>'-di(n-octyl) quinacridonediimine","<i>N</i>,<i>N</i>-Bis(4-cyanophenyl)-<i>N</i>,<i>N</i>'-di(n-octyl) quinacridonediimine","","- C50 H52 N6 -","- C50 H52 N6 -","- C50 H52 N6 -","1","0.5","","Javed, Iqbal; Khurshid, Ayub; Arshad, Muhammad Nadeem; Wang, Yue","Photophysical and electrochemical properties and temperature dependent geometrical isomerism in alkyl quinacridonediimines","New Journal of Chemistry","2014","38","2","752","","10.1039/c3nj00477e","","","0.71073","MoKα","","0.1607","0.0663","","","0.1268","0.158","","","","","","0.988","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053851","10.765","0.007","4.612","0.003","17.297","0.011","90","","97.133","0.013","90","","852.1","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N3 O4 -","- C8 H9 N3 O4 -","- C32 H36 N12 O16 -","4","1","","Kopylovich, Maximilian N.; Mahmudov, Kamran T.; Haukka, Matti; Pombeiro, Armando J. L.","Metal-free regioselective C‒C bond cleavage in 1,3,5-triazine derivatives of β-diketones","New Journal of Chemistry","2014","38","2","495","","10.1039/c3nj01292a","","","0.71073","MoKα","","0.1068","0.0529","","","0.1148","0.137","","","","","","0.998","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053852","9.0878","0.0006","11.2798","0.0008","6.7696","0.0005","90","","92.969","0.003","90","","693.01","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C24 H28 N12 O12 -","4","1","","Kopylovich, Maximilian N.; Mahmudov, Kamran T.; Haukka, Matti; Pombeiro, Armando J. L.","Metal-free regioselective C‒C bond cleavage in 1,3,5-triazine derivatives of β-diketones","New Journal of Chemistry","2014","38","2","495","","10.1039/c3nj01292a","","","0.71073","MoKα","","0.047","0.0362","","","0.0943","0.1009","","","","","","1.052","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053853","7.5322","0.0015","16.363","0.003","24.127","0.005","90","","90","","90","","2973.6","1","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H N O -","- C35 H41 N O4 -","- C140 H164 N4 O16 -","4","1","","Yao, Guiyang; Li, Yajun; Zhu, Yongtao; Pan, Yingming; Huang, Fuping; Wang, Hengshan; Liao, Zhixin","Protonation-controlled axial chirality in maleopimaric imides","New Journal of Chemistry","2014","38","2","693","","10.1039/c3nj01194a","","","0.7107","Molybdenum","","0.2486","0.1379","","","0.2417","0.2804","","","","","","1.152","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053854","8.54394","0.00018","14.0556","0.0004","24.3015","0.0007","90","","90","","90","","2918.37","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 N2 O4 -","- C34 H40 N2 O4 -","- C136 H160 N8 O16 -","4","1","","Yao, Guiyang; Li, Yajun; Zhu, Yongtao; Pan, Yingming; Huang, Fuping; Wang, Hengshan; Liao, Zhixin","Protonation-controlled axial chirality in maleopimaric imides","New Journal of Chemistry","2014","38","2","693","","10.1039/c3nj01194a","","","0.71073","MoKα","","0.0476","0.0431","","","0.1085","0.1118","","","","","","1.037","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053855","14.976","0.002","14.976","0.002","39.297","0.008","90","","90","","90","","8814","2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C47 H53 N O10 -","- C47 H53 N O10 -","- C376 H424 N8 O80 -","8","0.5","","Tan, Li-Li; Zhang, Yumo; Li, Bao; Wang, Kai; Zhang, Sean Xiao-An; Tao, Yanchun; Yang, Ying-Wei","Selective recognition of “solvent” molecules in solution and the solid state by 1,4-dimethoxypillar[5]arene driven by attractive forces","New Journal of Chemistry","2014","38","2","845","","10.1039/c3nj01498c","","","0.71073","MoKα","","0.1983","0.084","","","0.1502","0.1862","","","","","","1.044","","","","has coordinates,has disorder","180092","2020-10-21","18:00:00",""
"7053856","14.928","0.004","14.928","0.004","39.286","0.01","90","","90","","90","","8755","4","153","2","153","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C46 H52 Cl2 O10 -","- C46 H52 Cl2 O10 -","- C368 H416 Cl16 O80 -","8","0.5","","Tan, Li-Li; Zhang, Yumo; Li, Bao; Wang, Kai; Zhang, Sean Xiao-An; Tao, Yanchun; Yang, Ying-Wei","Selective recognition of “solvent” molecules in solution and the solid state by 1,4-dimethoxypillar[5]arene driven by attractive forces","New Journal of Chemistry","2014","38","2","845","","10.1039/c3nj01498c","","","0.71073","MoKα","","0.0784","0.0519","","","0.1271","0.1398","","","","","","1.065","","","","has coordinates,has disorder","180092","2020-10-21","18:00:00",""
"7053857","15.03","0.002","15.03","0.002","40.076","0.008","90","","90","","90","","9053","2","291","2","291","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C49 H58 O12 -","- C49 H58 O12 -","- C392 H464 O96 -","8","0.5","","Tan, Li-Li; Zhang, Yumo; Li, Bao; Wang, Kai; Zhang, Sean Xiao-An; Tao, Yanchun; Yang, Ying-Wei","Selective recognition of “solvent” molecules in solution and the solid state by 1,4-dimethoxypillar[5]arene driven by attractive forces","New Journal of Chemistry","2014","38","2","845","","10.1039/c3nj01498c","","","0.71073","MoKα","","0.1173","0.0666","","","0.1788","0.2071","","","","","","1.064","","","","has coordinates,has disorder","180092","2020-10-21","18:00:00",""
"7053858","14.938","0.0005","14.938","0.0005","39.779","0.003","90","","90","","90","","8876.4","0.8","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C48 H56 O11 -","- C48 H56 O11 -","- C384 H448 O88 -","8","0.5","","Tan, Li-Li; Zhang, Yumo; Li, Bao; Wang, Kai; Zhang, Sean Xiao-An; Tao, Yanchun; Yang, Ying-Wei","Selective recognition of “solvent” molecules in solution and the solid state by 1,4-dimethoxypillar[5]arene driven by attractive forces","New Journal of Chemistry","2014","38","2","845","","10.1039/c3nj01498c","","","0.71073","MoKα","","0.1518","0.0622","","","0.1717","0.2206","","","","","","1.048","","","","has coordinates,has disorder","180092","2020-10-21","18:00:00",""
"7053859","8.9793","0.0002","9.1591","0.0002","11.2703","0.0003","69.9746","0.0009","77.7173","0.001","68.1433","0.001","804.39","0.03","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H19 Cl2 N3 O Pd -","- C12 H19 Cl2 N3 O Pd -","- C24 H38 Cl4 N6 O2 Pd2 -","2","1","","Mariconda, Annaluisa; Grisi, Fabia; Costabile, Chiara; Falcone, Salvatore; Bertolasi, Valerio; Longo, Pasquale","Synthesis, characterization and catalytic behaviour of a palladium complex bearing a hydroxy-functionalized N-heterocyclic carbene ligand","New Journal of Chemistry","2014","38","2","762","","10.1039/c3nj01281f","","","0.71073","MoKα","","0.0524","0.0354","","","0.0799","0.0853","","","","","","1.04","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053860","13.152","0.0002","13.192","0.0002","33.6132","0.0005","90.3211","0.0004","96.9646","0.0004","100.965","0.0006","5680.76","0.15","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H67 Ag4 I4 N9 O4 -","- C42 H63 Ag4 I4 N9 O4 -","- C168 H252 Ag16 I16 N36 O16 -","4","2","","Mariconda, Annaluisa; Grisi, Fabia; Costabile, Chiara; Falcone, Salvatore; Bertolasi, Valerio; Longo, Pasquale","Synthesis, characterization and catalytic behaviour of a palladium complex bearing a hydroxy-functionalized N-heterocyclic carbene ligand","New Journal of Chemistry","2014","38","2","762","","10.1039/c3nj01281f","","","0.71073","MoKα","","0.1008","0.0604","","","0.1459","0.1713","","","","","","1.026","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053861","25.592","0.018","7.825","0.003","26.83","0.002","90","","92.66","0.02","90","","5367","4","295","2","295","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C27 H20 Ag F3 N6 O3 S -","- C27 H20 Ag F3 N6 O3 S -","- C216 H160 Ag8 F24 N48 O24 S8 -","8","1","","Marcinkowski, Damian; Wałęsa-Chorab, Monika; Patroniak, Violetta; Kubicki, Maciej; Kądziołka, Grzegorz; Michalkiewicz, Beata","A new polymeric complex of silver(i) with a hybrid pyrazine‒bipyridine ligand ‒ synthesis, crystal structure and its photocatalytic activity","New Journal of Chemistry","2014","38","2","604","","10.1039/c3nj01187a","","","0.7107","MoKα","","0.1957","0.0804","","","0.1444","0.1831","","","","","","0.917","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053862","10.9061","0.0002","8.5014","0.0003","16.9111","0.0005","90","","95.522","0.0012","90","","1560.67","0.08","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(mu2-(2-hydroxyethylamino ethanolato)-bis(o-methoxybenzoate)-di copper(II)","","- C28 H42 Cu2 N2 O12 -","- C28 H42 Cu2 N2 O12 -","- C56 H84 Cu4 N4 O24 -","2","0.5","","Sharma, Raj Pal; Saini, Anju; Venugopalan, Paloth; Ferretti, Valeria; Spizzo, Federico; Angeli, Celestino; Calzado, Carmen J.","Magnetic behaviour vs. structural changes in an isomeric series of binuclear copper(ii) complexes: an experimental and theoretical study","New Journal of Chemistry","2014","38","2","574","","10.1039/c3nj01080e","","","0.71073","MoKα","","0.0896","0.0567","","","0.1395","0.1662","","","","","","1.083","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053863","7.5706","0.0002","8.336","0.0002","15.0758","0.0004","96.122","0.001","99.627","0.001","114.943","0.001","833.65","0.04","295","","295","","","","","","","","","5","P -1","-P 1","2","","bis(mu2-(2-hydroxyethylamino ethanolato)-bis(m-methoxybenzoate)-di copper(II)dihydrate","","- C28 H46 Cu2 N2 O14 -","- C28 H46 Cu2 N2 O14 -","- C28 H46 Cu2 N2 O14 -","1","0.5","","Sharma, Raj Pal; Saini, Anju; Venugopalan, Paloth; Ferretti, Valeria; Spizzo, Federico; Angeli, Celestino; Calzado, Carmen J.","Magnetic behaviour vs. structural changes in an isomeric series of binuclear copper(ii) complexes: an experimental and theoretical study","New Journal of Chemistry","2014","38","2","574","","10.1039/c3nj01080e","","","0.71073","MoKα","","0.0467","0.0361","","","0.0887","0.0954","","","","","","0.953","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053864","7.6094","0.0001","8.0937","0.0002","14.6853","0.0004","102.858","0.0008","92.338","0.0008","110.54","0.0013","818.68","0.03","295","","295","","","","","","","","","5","P -1","-P 1","2","","bis(mu2-(2-hydroxyethylamino ethanolato)-bis(p-methoxybenzoate)-di copper(II)dihydrate","","- C28 H46 Cu2 N2 O14 -","- C28 H46 Cu2 N2 O14 -","- C28 H46 Cu2 N2 O14 -","1","0.5","","Sharma, Raj Pal; Saini, Anju; Venugopalan, Paloth; Ferretti, Valeria; Spizzo, Federico; Angeli, Celestino; Calzado, Carmen J.","Magnetic behaviour vs. structural changes in an isomeric series of binuclear copper(ii) complexes: an experimental and theoretical study","New Journal of Chemistry","2014","38","2","574","","10.1039/c3nj01080e","","","0.71073","MoKα","","0.0392","0.0339","","","0.087","0.0907","","","","","","1.075","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053865","9.0019","0.0004","8.0278","0.0003","16.0297","0.0007","90","","99.17","0.002","90","","1143.59","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 Cu N4 O12 -","- C18 H20 Cl2 Cu N4 O12 -","- C36 H40 Cl4 Cu2 N8 O24 -","2","0.5","","Sarkar, Amrita; Bhattacharyya, Sudipta; Dey, Suman Kr; Karmakar, Subhendu; Mukherjee, Arindam","Structure and properties of metal complexes of a pyridine based oxazolidinone synthesized by atmospheric CO2 fixation","New Journal of Chemistry","2014","38","2","817","","10.1039/c3nj00990d","","","0.71073","MoKα","","0.061","0.042","","","0.1092","0.1208","","","","","","1.033","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053866","8.1277","0.0017","13.281","0.003","14.755","0.003","97.093","0.004","94.263","0.004","96.436","0.004","1564.3","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H17 Cl2 N2 O3.5 Pt S -","- C11 H16 Cl2 N2 O3.5 Pt S -","- C44 H64 Cl8 N8 O14 Pt4 S4 -","4","2","","Sarkar, Amrita; Bhattacharyya, Sudipta; Dey, Suman Kr; Karmakar, Subhendu; Mukherjee, Arindam","Structure and properties of metal complexes of a pyridine based oxazolidinone synthesized by atmospheric CO2 fixation","New Journal of Chemistry","2014","38","2","817","","10.1039/c3nj00990d","","","0.71073","MoKα","","0.0211","0.0192","","","0.0495","0.0507","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053867","10.13","","6.355","","13.522","","90","","105.71","","90","","837.977","","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Compound X","","","- C18 H20 N2 O -","- C19 H22 N2 O -","- C38 H44 N4 O2 -","2","1","","Jiménez-Sánchez, Arturo; Rodríguez, Mario; Métivier, Rémi; Ramos-Ortíz, Gabriel; Maldonado, Jose Luis; Réboles, Netzahualcoyotl; Farfán, Norberto; Nakatani, Keitaro; Santillan, Rosa","Synthesis and crystal structures of a series of Schiff bases: a photo-, solvato- and acidochromic compound","New Journal of Chemistry","2014","38","2","730","","10.1039/c3nj00895a","","x-ray","0.71073","MoKα","","0.0458","0.0365","","","0.085","0.0893","","","","","","1.026","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053868","6.1828","0.0002","14.6917","0.0008","16.9541","0.0005","90","","90","","90","","1540.04","0.11","298","2","298","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","san557 mario","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Jiménez-Sánchez, Arturo; Rodríguez, Mario; Métivier, Rémi; Ramos-Ortíz, Gabriel; Maldonado, Jose Luis; Réboles, Netzahualcoyotl; Farfán, Norberto; Nakatani, Keitaro; Santillan, Rosa","Synthesis and crystal structures of a series of Schiff bases: a photo-, solvato- and acidochromic compound","New Journal of Chemistry","2014","38","2","730","","10.1039/c3nj00895a","","x-ray","0.71073","MoKα","","0.0944","0.0536","","","0.1051","0.1213","","","","","","1.039","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053869","7.8065","0.0004","16.426","0.0014","12.1222","0.00119","90","","90","","90","","1554.4","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 21 c a","P -2ac 2a","29","Compound X","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Jiménez-Sánchez, Arturo; Rodríguez, Mario; Métivier, Rémi; Ramos-Ortíz, Gabriel; Maldonado, Jose Luis; Réboles, Netzahualcoyotl; Farfán, Norberto; Nakatani, Keitaro; Santillan, Rosa","Synthesis and crystal structures of a series of Schiff bases: a photo-, solvato- and acidochromic compound","New Journal of Chemistry","2014","38","2","730","","10.1039/c3nj00895a","","x-ray","0.71073","MoKα","","0.0459","0.0369","","","0.0968","0.1046","","","","","","0.968","","","","has coordinates","201910","2020-10-21","18:00:00",""
"7053870","11.35","0.003","12.153","0.003","14.391","0.004","65.37","0.03","66.76","0.03","80.51","0.03","1658","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- H72 Mn5 O76 W12 -","- H12 Mn5 O76 W12 -","- H12 Mn5 O76 W12 -","1","0.5","","Najafpour, Mohammad Mahdi; Abbasi Isaloo, Mohsen; Abasi, Mahnaz; Hołyńska, Małgorzata","Manganese oxide as a water-oxidizing catalyst: from the bulk to Ångström-scale","New Journal of Chemistry","2014","38","2","852","","10.1039/c3nj01393f","","","0.71073","MoKα","","0.0405","0.0317","","","0.0759","0.0789","","","","","","1.021","","","","has coordinates,has disorder","180092","2020-10-21","18:00:00",""
"7053871","39.366","0.004","10.3992","0.0011","24.505","0.003","90","","104.747","0.002","90","","9701.3","1.9","150","","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H52 Cl4 N2 P2 Ru -","- C53 H52 Cl4 N2 P2 Ru -","- C424 H416 Cl32 N16 P16 Ru8 -","8","1","","Larocque, Timothy G.; Lavoie, Gino G.","Reactivity study of low-coordinate phosphaalkene IMesPPh with Grubbs first-generation ruthenium benzylidene complexes","New Journal of Chemistry","2014","38","2","499","","10.1039/c3nj01416a","","","0.71073","MoKα","","0.0579","0.0367","","","0.0736","0.0834","","","","","","1.018","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053872","11.796","0.003","18.979","0.005","20.473","0.005","90","","99.625","0.007","90","","4519","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H49 Cl N2 P2 Ru -","- C52 H49 Cl N2 P2 Ru -","- C208 H196 Cl4 N8 P8 Ru4 -","4","1","","Larocque, Timothy G.; Lavoie, Gino G.","Reactivity study of low-coordinate phosphaalkene IMesPPh with Grubbs first-generation ruthenium benzylidene complexes","New Journal of Chemistry","2014","38","2","499","","10.1039/c3nj01416a","","","0.71073","MoKα","","0.0506","0.0331","","","0.0675","0.0736","","","","","","1.011","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053873","31.183","0.007","9.097","0.002","21.277","0.005","90","","117.262","0.003","90","","5365","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H66 Cu4 N8 O11 -","- C58 H64 Cu4 N8 O11 -","- C232 H256 Cu16 N32 O44 -","4","0.5","","Borisova, Nataliya E.; Kostin, Andrey; Magdesieva, Tatiana V.; Reshetova, Marina D.; Nikitin, Oleg; Paredes-García, Verónica; Garland, M. Teresa; Hermosilla-Ibáñez, Patricio; Cañon-Mancisidor, Walter; Rodionov, Alexey; Venegas-Yazigi, Diego; Spodine, Evgenia","Solvent switchable CuII complexes","New Journal of Chemistry","2014","38","2","709","","10.1039/c3nj00722g","","","0.71073","MoKα","","0.0636","0.0456","","","0.0981","0.1059","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053874","12.198","0.002","8.3508","0.0017","13.632","0.003","90","","110.5","0.03","90","","1300.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 O8 P2 Pr -","- C8 H13 O8 P2 Pr -","- C32 H52 O32 P8 Pr4 -","4","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Guang-Ming; Gao, Jin-Sheng","pH-dependent syntheses, luminescence and magnetic properties of two-dimensional framework lanthanide 1,3-diarylphosphonate complexes","New Journal of Chemistry","2014","38","3","1328","","10.1039/c3nj01388j","","","0.71073","MoKα","","0.0321","0.0276","","","0.0576","0.0592","","","","","","1.072","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053875","3.8994","0.0004","15.6005","0.0015","21.254","0.002","90","","93.24","0.002","90","","1290.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Ag F12 N6 P2 -","- C24 H18 Ag F12 N6 P2 -","- C48 H36 Ag2 F24 N12 P4 -","2","0.5","","Dinda, Joydev; Samanta, Tapastaru; Nandy, Abhishek; Saha, Krishna Das; Seth, Saikat Kumar; Chattopadhyay, Shymal Kumar; Bielawski, Christopher W.","N-heterocyclic carbene supported Au(i) and Au(iii) complexes: a comparison of cytotoxicities","New Journal of Chemistry","2014","38","3","1218","","10.1039/c3nj01463k","","","0.71073","MoKα","","0.0823","0.0741","","","0.213","0.2202","","","","","","1.073","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053876","7.8238","0.0018","9.795","0.002","10.093","0.002","112.116","0.005","95.677","0.005","97.329","0.006","701.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Au Cl3 N3 -","- C12 H9 Au Cl3 N3 -","- C24 H18 Au2 Cl6 N6 -","2","1","","Dinda, Joydev; Samanta, Tapastaru; Nandy, Abhishek; Saha, Krishna Das; Seth, Saikat Kumar; Chattopadhyay, Shymal Kumar; Bielawski, Christopher W.","N-heterocyclic carbene supported Au(i) and Au(iii) complexes: a comparison of cytotoxicities","New Journal of Chemistry","2014","38","3","1218","","10.1039/c3nj01463k","","","0.71073","MoKα","","0.0475","0.0389","","","0.0987","0.106","","","","","","1.114","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053877","8.9999","0.0009","12.2528","0.0012","16.2526","0.0016","112.306","0.001","104.446","0.001","91.816","0.001","1589.6","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 Eu F6 N9 O6 P -","- C26 H23 Eu F6 N9 O6 P -","- C52 H46 Eu2 F12 N18 O12 P2 -","2","1","","Hasegawa, Miki; Ohtsu, Hideki; Kodama, Daisuke; Kasai, Takeshi; Sakurai, Shoya; Ishii, Ayumi; Suzuki, Kengo","Luminescence behaviour in acetonitrile and in the solid state of a series of lanthanide complexes with a single helical ligand","New Journal of Chemistry","2014","38","3","1225","","10.1039/c3nj00910f","","","0.71073","MoKα","","0.0387","0.0349","","","0.0947","0.0962","","","","","","1.082","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053878","9.0151","0.0007","12.214","0.0009","16.1835","0.0012","112.036","0.001","104.297","0.001","91.826","0.001","1585.2","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 F6 Gd N9 O6 P -","- C26 H23 F6 Gd N9 O6 P -","- C52 H46 F12 Gd2 N18 O12 P2 -","2","1","","Hasegawa, Miki; Ohtsu, Hideki; Kodama, Daisuke; Kasai, Takeshi; Sakurai, Shoya; Ishii, Ayumi; Suzuki, Kengo","Luminescence behaviour in acetonitrile and in the solid state of a series of lanthanide complexes with a single helical ligand","New Journal of Chemistry","2014","38","3","1225","","10.1039/c3nj00910f","","","0.71073","MoKα","","0.0366","0.0325","","","0.0821","0.0841","","","","","","1.061","","","","has coordinates,has disorder","180092","2020-10-21","18:00:00",""
"7053879","9.961","0.003","13.593","0.004","13.751","0.004","68.307","0.003","86.035","0.003","87.405","0.003","1725.5","0.9","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 F6 Ho N10 O6 P -","- C28 H26 F6 Ho N10 O6 P -","- C56 H52 F12 Ho2 N20 O12 P2 -","2","1","","Hasegawa, Miki; Ohtsu, Hideki; Kodama, Daisuke; Kasai, Takeshi; Sakurai, Shoya; Ishii, Ayumi; Suzuki, Kengo","Luminescence behaviour in acetonitrile and in the solid state of a series of lanthanide complexes with a single helical ligand","New Journal of Chemistry","2014","38","3","1225","","10.1039/c3nj00910f","","","0.71073","MoKα","","0.0513","0.0378","","","0.0845","0.0897","","","","","","1.072","","","","has coordinates,has disorder","180092","2020-10-21","18:00:00",""
"7053880","8.949","0.002","12.231","0.003","16.394","0.004","112.158","0.002","104.132","0.002","92.428","0.003","1593.4","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 F6 N9 Nd O6 P -","- C26 H23 F6 N9 Nd O6 P -","- C52 H46 F12 N18 Nd2 O12 P2 -","2","1","","Hasegawa, Miki; Ohtsu, Hideki; Kodama, Daisuke; Kasai, Takeshi; Sakurai, Shoya; Ishii, Ayumi; Suzuki, Kengo","Luminescence behaviour in acetonitrile and in the solid state of a series of lanthanide complexes with a single helical ligand","New Journal of Chemistry","2014","38","3","1225","","10.1039/c3nj00910f","","","0.71073","MoKα","","0.034","0.0308","","","0.0823","0.0836","","","","","","1.055","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053881","9.0172","0.0011","12.2389","0.0015","16.133","0.002","112.054","0.001","104.269","0.001","91.622","0.001","1584.7","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 F6 N9 O6 P Tb -","- C26 H23 F6 N9 O6 P Tb -","- C52 H46 F12 N18 O12 P2 Tb2 -","2","1","","Hasegawa, Miki; Ohtsu, Hideki; Kodama, Daisuke; Kasai, Takeshi; Sakurai, Shoya; Ishii, Ayumi; Suzuki, Kengo","Luminescence behaviour in acetonitrile and in the solid state of a series of lanthanide complexes with a single helical ligand","New Journal of Chemistry","2014","38","3","1225","","10.1039/c3nj00910f","","","0.71073","MoKα","","0.0317","0.0294","","","0.0807","0.0818","","","","","","1.073","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053882","7.8205","0.0009","10.3904","0.0011","12.6744","0.0014","111.822","0.01","97.397","0.009","98.633","0.009","926","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H15 B F2 N4 O2 S -","- C19 H15 B F2 N4 O2 S -","- C38 H30 B2 F4 N8 O4 S2 -","2","1","","Wang, Xiaoqing; Liu, Hou-ting; Cui, Jichun; Wu, Yanping; Lu, Hua; Lu, Jing; Liu, Zhipeng; He, Weijiang","Synthesis and fluorescence properties of isoindoline‒benzazole-based boron difluoride complexes","New Journal of Chemistry","2014","38","3","1277","","10.1039/c3nj01361h","","","1.54184","CuKα","","0.1089","0.09","","","0.256","0.2804","","","","","","1.1","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053883","6.9557","0.0015","11.77","0.003","12.267","0.003","62.48","0.03","87.54","0.02","86.18","0.019","888.6","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H15 B F2 N4 O2 S -","- C17 H15 B F2 N4 O2 S -","- C34 H30 B2 F4 N8 O4 S2 -","2","1","","Wang, Xiaoqing; Liu, Hou-ting; Cui, Jichun; Wu, Yanping; Lu, Hua; Lu, Jing; Liu, Zhipeng; He, Weijiang","Synthesis and fluorescence properties of isoindoline‒benzazole-based boron difluoride complexes","New Journal of Chemistry","2014","38","3","1277","","10.1039/c3nj01361h","","","0.71073","MoKα","","0.0773","0.0505","","","0.1194","0.1415","","","","","","1.061","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053884","8.6511","0.0007","11.6621","0.0009","13.9426","0.0008","90","","100.04","0.007","90","","1385.13","0.18","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 B F2 N2 O S -","- C16 H9 B F2 N2 O S -","- C64 H36 B4 F8 N8 O4 S4 -","4","1","","Wang, Xiaoqing; Liu, Hou-ting; Cui, Jichun; Wu, Yanping; Lu, Hua; Lu, Jing; Liu, Zhipeng; He, Weijiang","Synthesis and fluorescence properties of isoindoline‒benzazole-based boron difluoride complexes","New Journal of Chemistry","2014","38","3","1277","","10.1039/c3nj01361h","","","0.71073","MoKα","","0.1154","0.0609","","","0.1504","0.1853","","","","","","1.021","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7053885","13.633","0.0014","9.7606","0.0011","21.294","0.003","90","","90","","90","","2833.5","0.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H8 B F2 N3 O S -","- C17 H8 B F2 N3 O S -","- C136 H64 B8 F16 N24 O8 S8 -","8","1","","Wang, Xiaoqing; Liu, Hou-ting; Cui, Jichun; Wu, Yanping; Lu, Hua; Lu, Jing; Liu, Zhipeng; He, Weijiang","Synthesis and fluorescence properties of isoindoline‒benzazole-based boron difluoride complexes","New Journal of Chemistry","2014","38","3","1277","","10.1039/c3nj01361h","","","0.71073","MoKα","","0.1004","0.0625","","","0.1515","0.1821","","","","","","1.044","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053886","8.3276","0.0006","9.7084","0.0006","19.6254","0.0012","103.803","0.005","90.192","0.006","115.396","0.007","1381.81","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H8 B F2 N3 O S -","- C15 H8 B F2 N3 O S -","- C60 H32 B4 F8 N12 O4 S4 -","4","2","","Wang, Xiaoqing; Liu, Hou-ting; Cui, Jichun; Wu, Yanping; Lu, Hua; Lu, Jing; Liu, Zhipeng; He, Weijiang","Synthesis and fluorescence properties of isoindoline‒benzazole-based boron difluoride complexes","New Journal of Chemistry","2014","38","3","1277","","10.1039/c3nj01361h","","","0.71073","MoKα","","0.1632","0.1487","","","0.3165","0.3225","","","","","","1.14","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053887","22.04","0.005","14.85","0.005","24.821","0.005","90","","100.605","0.005","90","","7985","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H53 Cu Mo12 N20 O44 P -","- C48 H44 Cu Mo12 N20 O44 P -","- C192 H176 Cu4 Mo48 N80 O176 P4 -","4","0.5","","Yu, Yan; Ma, Huiyuan; Pang, Haijun; Li, Shaobin; Yu, Tingting; Liu, Heng; Zhao, Chunyan; Zhang, Zhuanfang","Two novel zipper-like compounds of the usual and bivanadyl capped Keggin clusters connected by propeller-shaped complexes","New Journal of Chemistry","2014","38","3","1271","","10.1039/c3nj01329d","","","0.71069","MoKα","","0.1074","0.0877","","","0.21","0.2189","","","","","","0.973","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053888","32.193","0.005","15.456","0.005","22.188","0.005","90","","132.357","0.005","90","","8158","4","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H45 Co Mo8 N20 O42 P V6 -","- C48 H40 Co Mo8 N20 O42 P V6 -","- C192 H160 Co4 Mo32 N80 O168 P4 V24 -","4","0.5","","Yu, Yan; Ma, Huiyuan; Pang, Haijun; Li, Shaobin; Yu, Tingting; Liu, Heng; Zhao, Chunyan; Zhang, Zhuanfang","Two novel zipper-like compounds of the usual and bivanadyl capped Keggin clusters connected by propeller-shaped complexes","New Journal of Chemistry","2014","38","3","1271","","10.1039/c3nj01329d","","","0.71069","MoKα","","0.0584","0.0508","","","0.1551","0.1604","","","","","","0.997","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053889","9.921","0.002","11.098","0.002","17.289","0.004","90","","97.5","0.03","90","","1887.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Cl N4 O -","- C21 H17 Cl N4 O -","- C84 H68 Cl4 N16 O4 -","4","1","","Zhao, Xiao-Fei; Ouyang, Yan; Liu, Yan-Zhao; Su, Qiao-Juan; Tian, He; Xie, Cheng-Zhi; Xu, Jing-Yuan","Two polypyridyl copper(ii) complexes: synthesis, crystal structure and interaction with DNA and serum protein in vitro","New Journal of Chemistry","2014","38","3","955","","10.1039/c3nj01107k","","","0.71073","MoKα","","0.1255","0.0837","","","0.1561","0.1722","","","","","","1.166","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053890","8.586","0.0017","11.18","0.002","13.844","0.003","97.13","0.03","104.4","0.03","94.66","0.03","1268.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl Cu N5 O6 -","- C25 H22 Cl Cu N5 O6 -","- C50 H44 Cl2 Cu2 N10 O12 -","2","1","","Zhao, Xiao-Fei; Ouyang, Yan; Liu, Yan-Zhao; Su, Qiao-Juan; Tian, He; Xie, Cheng-Zhi; Xu, Jing-Yuan","Two polypyridyl copper(ii) complexes: synthesis, crystal structure and interaction with DNA and serum protein in vitro","New Journal of Chemistry","2014","38","3","955","","10.1039/c3nj01107k","","","0.71073","MoKα","","0.1818","0.095","","","0.2131","0.2538","","","","","","1.01","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053891","8.418","0.003","9.753","0.003","28.363","0.01","92.028","0.007","90.542","0.006","93.765","0.008","2322","1.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cu N6 O7 -","- C24 H18 Cu N6 O7 -","- C96 H72 Cu4 N24 O28 -","4","2","","Zhao, Xiao-Fei; Ouyang, Yan; Liu, Yan-Zhao; Su, Qiao-Juan; Tian, He; Xie, Cheng-Zhi; Xu, Jing-Yuan","Two polypyridyl copper(ii) complexes: synthesis, crystal structure and interaction with DNA and serum protein in vitro","New Journal of Chemistry","2014","38","3","955","","10.1039/c3nj01107k","","","0.71073","MoKα","","0.0778","0.0544","","","0.1122","0.1225","","","","","","1.027","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053892","19.9204","0.0016","9.6139","0.0008","13.2845","0.0011","90","","98.934","0.004","90","","2513.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Al3 K6 Na3 O24 P6 -","- Al3 K6 Na3 O24 P6 -","- Al12 K24 Na12 O96 P24 -","4","1","","Wang, Ying; Pan, Shilie; Han, Shujuan; Dong, Lingyun; Zhang, Min; Wu, Kui","Synthesis and characterization of a new aluminophosphate with a Al3P6O249− three-dimensional framework","New Journal of Chemistry","2014","38","3","889","","10.1039/c3nj01484c","","","0.71073","MoKα","","0.0431","0.037","","","0.1033","0.1076","","","","","","1.047","","","","has coordinates,has disorder","180092","2020-10-21","18:00:00",""
"7053893","9.3437","0.0017","10.538","0.002","11.5632","0.0015","105.416","0.015","94.821","0.013","114.063","0.019","978","0.4","100.05","0.1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N4 S -","- C26 H17 N4 S -","- C52 H34 N8 S2 -","2","1","","Constantinides, Christos P.; Berezin, Andrey A.; Manoli, Maria; Leitus, Gregory M.; Bendikov, Michael; Rawson, Jeremy M.; Koutentis, Panayiotis A.","Effective exchange coupling in alternating-chains of a π-extended 1,2,4-benzotriazin-4-yl","New Journal of Chemistry","2014","38","3","949","","10.1039/c3nj01235b","","","1.54184","CuKα","","0.0708","0.0558","","","0.1496","0.1723","","","","","","1.071","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053894","8.886","0.0014","19.167","0.003","13.127","0.002","90","","91.746","0.005","90","","2234.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Ag2 N10 O22 -","- C32 H52 Ag2 N10 O22 -","- C64 H104 Ag4 N20 O44 -","2","0.5","","Kumar, Rakesh; Obrai, Sangeeta; Kaur, Amanpreet; Hundal, Maninder Singh; Meehnian, Harmanpreet; Jana, Asim Kumar","Synthesis, crystal structure investigation, DFT analyses and antimicrobial studies of silver(i) complexes with N,N,N′,N′′-tetrakis(2-hydroxyethyl/propyl) ethylenediamine and tris(2-hydroxyethyl)amine","New Journal of Chemistry","2014","38","3","1186","","10.1039/c3nj00729d","","","0.71069","MoKα","","0.1245","0.0769","","","0.1553","0.1786","","","","","","1.177","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053895","12.796","0.001","15.621","0.002","13.283","0.003","90","","94.297","0.002","90","","2647.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H68 Ag2 N10 O22 -","- C40 H68 Ag2 N10 O22 -","- C80 H136 Ag4 N20 O44 -","2","0.5","","Kumar, Rakesh; Obrai, Sangeeta; Kaur, Amanpreet; Hundal, Maninder Singh; Meehnian, Harmanpreet; Jana, Asim Kumar","Synthesis, crystal structure investigation, DFT analyses and antimicrobial studies of silver(i) complexes with N,N,N′,N′′-tetrakis(2-hydroxyethyl/propyl) ethylenediamine and tris(2-hydroxyethyl)amine","New Journal of Chemistry","2014","38","3","1186","","10.1039/c3nj00729d","","","0.71073","MoKα","","0.0449","0.0347","","","0.0828","0.0881","","","","","","1.019","","","","has coordinates,has disorder","180092","2020-10-21","18:00:00",""
"7053896","9.194","0.005","20.952","0.005","13.625","0.005","90","","108.315","0.005","90","","2491.7","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Ag N5 O13 -","- C18 H32 Ag N5 O13 -","- C72 H128 Ag4 N20 O52 -","4","1","","Kumar, Rakesh; Obrai, Sangeeta; Kaur, Amanpreet; Hundal, Maninder Singh; Meehnian, Harmanpreet; Jana, Asim Kumar","Synthesis, crystal structure investigation, DFT analyses and antimicrobial studies of silver(i) complexes with N,N,N′,N′′-tetrakis(2-hydroxyethyl/propyl) ethylenediamine and tris(2-hydroxyethyl)amine","New Journal of Chemistry","2014","38","3","1186","","10.1039/c3nj00729d","","","0.71073","MoKα","","0.0671","0.0422","","","0.0985","0.1145","","","","","","1.089","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053897","17.164","0.003","6.6995","0.0013","19.809","0.004","90","","111.08","0.03","90","","2125.4","0.8","293","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 N2 -","- C27 H20 N2 -","- C108 H80 N8 -","4","1","","Zhao, Xin; Xue, Pengchong; Wang, Kai; Chen, Peng; Zhang, Peng; Lu, Ran","Aggregation-induced emission of triphenylamine substituted cyanostyrene derivatives","New Journal of Chemistry","2014","38","3","1045","","10.1039/c3nj01343j","","","0.71073","MoKα","","0.1192","0.0535","","","0.1219","0.1451","","","","","","0.982","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053898","11.154","0.002","7.5463","0.0015","25.707","0.005","90","","96.42","0.03","90","","2150.2","0.7","293","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N3 O2 -","- C27 H19 N3 O2 -","- C108 H76 N12 O8 -","4","1","","Zhao, Xin; Xue, Pengchong; Wang, Kai; Chen, Peng; Zhang, Peng; Lu, Ran","Aggregation-induced emission of triphenylamine substituted cyanostyrene derivatives","New Journal of Chemistry","2014","38","3","1045","","10.1039/c3nj01343j","","","0.71073","MoKα","","0.1153","0.0542","","","0.1212","0.1423","","","","","","1.031","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053899","8.65","0.002","12.44","0.002","16.14","0.003","105.39","0.02","90.16","0.02","94.95","0.02","1667.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H41 F N3 O6 P -","- C36 H41 F N3 O6 P -","- C72 H82 F2 N6 O12 P2 -","2","1","","Bykowska, Aleksandra; Starosta, Radosław; Komarnicka, Urszula K.; Ciunik, Zbigniew; Kyzioł, Agnieszka; Guz-Regner, Katarzyna; Bugla-Płoskońska, Gabriela; Jeżowska-Bojczuk, Małgorzata","Phosphine derivatives of ciprofloxacin and norfloxacin, a new class of potential therapeutic agents","New Journal of Chemistry","2014","38","3","1062","","10.1039/c3nj01243c","","","0.71073","MoKα","","0.0986","0.0858","","","0.2339","0.2435","","","","","","1.041","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053900","8.748","0.001","22.372","0.003","14.514","0.002","90","","94.6","0.02","90","","2831.4","0.6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30.5 H30 Cl F N3 O3 P S -","- C30.5 H29 Cl F N3 O3 P S -","- C122 H116 Cl4 F4 N12 O12 P4 S4 -","4","1","","Bykowska, Aleksandra; Starosta, Radosław; Komarnicka, Urszula K.; Ciunik, Zbigniew; Kyzioł, Agnieszka; Guz-Regner, Katarzyna; Bugla-Płoskońska, Gabriela; Jeżowska-Bojczuk, Małgorzata","Phosphine derivatives of ciprofloxacin and norfloxacin, a new class of potential therapeutic agents","New Journal of Chemistry","2014","38","3","1062","","10.1039/c3nj01243c","","","0.71073","MoKα","","0.0701","0.0539","","","0.1465","0.1528","","","","","","1.322","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053901","8.102","0.003","25.993","0.006","14.216","0.004","90","","92.42","0.03","90","","2991.2","1.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30.79 H32.36 F N3 O3.89 P Se -","- C30.785 H32.355 F N3 O3.8925 P Se -","- C123.14 H129.42 F4 N12 O15.57 P4 Se4 -","4","2","","Bykowska, Aleksandra; Starosta, Radosław; Komarnicka, Urszula K.; Ciunik, Zbigniew; Kyzioł, Agnieszka; Guz-Regner, Katarzyna; Bugla-Płoskońska, Gabriela; Jeżowska-Bojczuk, Małgorzata","Phosphine derivatives of ciprofloxacin and norfloxacin, a new class of potential therapeutic agents","New Journal of Chemistry","2014","38","3","1062","","10.1039/c3nj01243c","","","0.71073","MoKα","","0.047","0.0396","","","0.081","0.0844","","","","","","1.026","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053902","15.303","0.003","7.6263","0.0016","15.344","0.003","90","","107.767","0.004","90","","1705.3","0.6","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Ag F6 N8 P -","- C28 H24 Ag F6 N8 P -","- C56 H48 Ag2 F12 N16 P2 -","2","0.5","","Wang, Pin-Ning; Yeh, Chun-Wei; Tsou, Chi-Hui; Ho, Yuh-Wen; Lin, Shui-Chuan; Suen, Maw-Cherng","Structural diversity in the self-assembly of Ag(i) complexes containing 2,6-dimethyl-3,5-dicyano-4-(3-pyridyl)-1,4-dihydropyridine","New Journal of Chemistry","2014","38","3","1079","","10.1039/c3nj01322g","","","0.71073","MoKα","","0.0807","0.064","","","0.1911","0.21","","","","","","1.004","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053903","9.0792","0.0004","11.0233","0.0005","14.141","0.0007","97.122","0.002","101.625","0.002","92.199","0.002","1372.62","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H48 Ag2 F6 N16 P -","- C56 H48 Ag2 F6 N16 P -","- C56 H48 Ag2 F6 N16 P -","1","0.5","","Wang, Pin-Ning; Yeh, Chun-Wei; Tsou, Chi-Hui; Ho, Yuh-Wen; Lin, Shui-Chuan; Suen, Maw-Cherng","Structural diversity in the self-assembly of Ag(i) complexes containing 2,6-dimethyl-3,5-dicyano-4-(3-pyridyl)-1,4-dihydropyridine","New Journal of Chemistry","2014","38","3","1079","","10.1039/c3nj01322g","","x-ray","0.71073","MoKα","","0.0264","0.0241","","","0.0699","0.0776","","","","","","1.121","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053904","8.7672","0.0006","19.8975","0.0014","11.2697","0.0007","90","","108.772","0.007","90","","1861.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Ag B F4 N5 -","- C16 H15 Ag B F4 N5 -","- C64 H60 Ag4 B4 F16 N20 -","4","1","","Wang, Pin-Ning; Yeh, Chun-Wei; Tsou, Chi-Hui; Ho, Yuh-Wen; Lin, Shui-Chuan; Suen, Maw-Cherng","Structural diversity in the self-assembly of Ag(i) complexes containing 2,6-dimethyl-3,5-dicyano-4-(3-pyridyl)-1,4-dihydropyridine","New Journal of Chemistry","2014","38","3","1079","","10.1039/c3nj01322g","","","0.71073","MoKα","","0.0605","0.0493","","","0.1103","0.116","","","","","","1.139","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053905","9.0714","0.0004","18.3581","0.0008","20.8126","0.0009","90","","102.06","0.002","90","","3389.5","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Ag F3 N9 O3 S -","- C31 H27 Ag F3 N9 O3 S -","- C124 H108 Ag4 F12 N36 O12 S4 -","4","1","","Wang, Pin-Ning; Yeh, Chun-Wei; Tsou, Chi-Hui; Ho, Yuh-Wen; Lin, Shui-Chuan; Suen, Maw-Cherng","Structural diversity in the self-assembly of Ag(i) complexes containing 2,6-dimethyl-3,5-dicyano-4-(3-pyridyl)-1,4-dihydropyridine","New Journal of Chemistry","2014","38","3","1079","","10.1039/c3nj01322g","","x-ray","0.71073","MoKα","","0.0425","0.0364","","","0.0948","0.1004","","","","","","1.066","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053906","8.5452","0.0004","12.2962","0.0004","15.9721","0.0006","84.345","0.003","80.885","0.003","71.359","0.004","1568.06","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Ag2 Cl2 N8 O8 -","- C28 H24 Ag2 Cl2 N8 O8 -","- C56 H48 Ag4 Cl4 N16 O16 -","2","1","","Wang, Pin-Ning; Yeh, Chun-Wei; Tsou, Chi-Hui; Ho, Yuh-Wen; Lin, Shui-Chuan; Suen, Maw-Cherng","Structural diversity in the self-assembly of Ag(i) complexes containing 2,6-dimethyl-3,5-dicyano-4-(3-pyridyl)-1,4-dihydropyridine","New Journal of Chemistry","2014","38","3","1079","","10.1039/c3nj01322g","","x-ray","0.71073","MoKα","","0.0286","0.0237","","","0.0516","0.0537","","","","","","1.046","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053907","12.235","0.003","16.9476","0.0018","13.042","0.003","90","","103.294","0.009","90","","2631.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H64 N4 O11 Zn2 -","- C58 H56 N4 O11 Zn2 -","- C116 H112 N8 O22 Zn4 -","2","0.5","","Salmon, Lionel; Thuéry, Pierre; Rivière, Eric; Costes, Jean-Pierre; . Mota, Antonio J; Ephritikhine, Michel","Structural, magnetic and theoretical calculations of a ferromagnetically coupled tetranuclear copper(ii) square complex","New Journal of Chemistry","2014","38","3","1306","","10.1039/c3nj01512b","","","0.71073","MoKα","","0.2079","0.0936","","","0.1711","0.2204","","","","","","1.012","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053908","13.2695","0.0008","26.7073","0.0011","29.302","0.0017","90","","99.835","0.003","90","","10231.8","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H120 Cu4 N8 O21 -","- C112 H120 Cu4 N8 O21 -","- C448 H480 Cu16 N32 O84 -","4","1","","Salmon, Lionel; Thuéry, Pierre; Rivière, Eric; Costes, Jean-Pierre; . Mota, Antonio J; Ephritikhine, Michel","Structural, magnetic and theoretical calculations of a ferromagnetically coupled tetranuclear copper(ii) square complex","New Journal of Chemistry","2014","38","3","1306","","10.1039/c3nj01512b","","","0.71073","MoKα","","0.1361","0.0811","","","0.1879","0.2253","","","","","","1.023","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053909","8.8996","0.0001","8.8996","0.0001","39.5773","0.0011","90","","90","","120","","2714.67","0.09","123","2","123","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C38 H40 Cu N4 O10 -","- C38 H40 Cu N4 O10 -","- C114 H120 Cu3 N12 O30 -","3","0.5","","Tanaka, Koichi; Kikumoto, Yuki; Hota, Naoki; Takahashi, Hiroki","Homochiral coordination polymers with nanotubular channels for enantioselective sorption of chiral guest molecules","New Journal of Chemistry","2014","38","3","880","","10.1039/c3nj01058a","","","0.71075","MoKα","","0.0558","0.0524","","","0.1377","0.1453","","","","","","1.124","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053910","22.934","0.004","30.885","0.005","10.5055","0.0018","90","","90","","90","","7441","2","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C40.5 H35.5 Cu N3.5 O7 -","- C40.5 H35.5 Cu N3.5 O7 -","- C324 H284 Cu8 N28 O56 -","8","1","","Tanaka, Koichi; Kikumoto, Yuki; Hota, Naoki; Takahashi, Hiroki","Homochiral coordination polymers with nanotubular channels for enantioselective sorption of chiral guest molecules","New Journal of Chemistry","2014","38","3","880","","10.1039/c3nj01058a","","","0.71075","MoKα","","0.0587","0.0535","","","0.1495","0.1539","","","","","","1.11","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053911","12.467","0.009","11.156","0.008","16.139","0.012","90","","96.304","0.009","90","","2231","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl Cu N5 O6 -","- C20 H20 Cl Cu N5 O6 -","- C80 H80 Cl4 Cu4 N20 O24 -","4","1","","Wu, Huilu; Wang, Hua; Wang, Xiaoli; Pan, Guolong; Shi, Furong; Zhang, Yanhui; Bai, Yuchen; Kong, Jin","V-shaped ligand bis(2-benzimidazolylmethyl)amine containing three copper(ii) ternary complexes: synthesis, structure, DNA-binding properties and antioxidant activity","New Journal of Chemistry","2014","38","3","1052","","10.1039/c3nj01145c","","","0.71073","MoKα","","0.0571","0.0457","","","0.1286","0.1376","","","","","","1.037","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053912","11.772","0.002","14.952","0.004","13.66","0.003","90","","116.415","0.01","90","","2153.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl Cu N5 O6 -","- C20 H20 Cl Cu N5 O6 -","- C80 H80 Cl4 Cu4 N20 O24 -","4","1","","Wu, Huilu; Wang, Hua; Wang, Xiaoli; Pan, Guolong; Shi, Furong; Zhang, Yanhui; Bai, Yuchen; Kong, Jin","V-shaped ligand bis(2-benzimidazolylmethyl)amine containing three copper(ii) ternary complexes: synthesis, structure, DNA-binding properties and antioxidant activity","New Journal of Chemistry","2014","38","3","1052","","10.1039/c3nj01145c","","","0.71073","MoKα","","0.0512","0.0377","","","0.0949","0.1016","","","","","","1.04","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053913","17.298","0.002","8.5102","0.001","15.4923","0.0018","90","","97.711","0.002","90","","2260","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cu N6 O7 -","- C20 H24 Cu N6 O7 -","- C80 H96 Cu4 N24 O28 -","4","1","","Wu, Huilu; Wang, Hua; Wang, Xiaoli; Pan, Guolong; Shi, Furong; Zhang, Yanhui; Bai, Yuchen; Kong, Jin","V-shaped ligand bis(2-benzimidazolylmethyl)amine containing three copper(ii) ternary complexes: synthesis, structure, DNA-binding properties and antioxidant activity","New Journal of Chemistry","2014","38","3","1052","","10.1039/c3nj01145c","","","0.71073","MoKα","","0.0633","0.0506","","","0.1525","0.1621","","","","","","1.12","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053914","19.0393","0.0003","13.3551","0.0002","24.7011","0.0005","90","","110.139","0.002","90","","5896.79","0.19","118","2","118","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cl-gf, 118 K","2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene","","- C33 H33 Cl3 O3 -","- C33 H33 Cl3 O3 -","- C264 H264 Cl24 O24 -","8","2","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.0686","0.0452","","","0.0999","0.1093","","","","","","1.028","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053915","19.069","0.0007","13.3847","0.0004","24.7369","0.0009","90","","110.263","0.004","90","","5922.9","0.4","154","2","154","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cl-gf, 154 K","2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene","","- C33 H33 Cl3 O3 -","- C33 H33 Cl3 O3 -","- C264 H264 Cl24 O24 -","8","2","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.0892","0.0506","","","0.1133","0.131","","","","","","0.994","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053916","19.0913","0.0008","13.3962","0.0005","24.8034","0.0011","90","","110.348","0.005","90","","5947.6","0.5","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cl-gf, 190 K","2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene","","- C33 H33 Cl3 O3 -","- C33 H33 Cl3 O3 -","- C264 H264 Cl24 O24 -","8","2","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.0929","0.0554","","","0.1301","0.1508","","","","","","1.035","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053917","24.8803","0.001","13.4318","0.0004","28.8166","0.0011","90","","110.512","0.005","90","","9019.6","0.6","226","2","226","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Cl-gf, 226 K","2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene","","- C33 H33 Cl3 O3 -","- C33 H33 Cl3 O3 -","- C396 H396 Cl36 O36 -","12","3","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1437","0.0717","","","0.1417","0.1786","","","","","","1.03","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053918","24.9516","0.001","13.4628","0.0004","28.8673","0.0011","90","","110.6","0.004","90","","9077","0.6","262","2","262","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Cl-gf, 262 K","2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene","","- C33 H33 Cl3 O3 -","- C33 H33 Cl3 O3 -","- C396 H396 Cl36 O36 -","12","3","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1769","0.0753","","","0.1627","0.2145","","","","","","1.01","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053919","25.03","0.0011","13.4909","0.0005","28.938","0.0011","90","","110.676","0.005","90","","9142.3","0.7","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Cl-gf, 298 K","2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene","","- C33 H33 Cl3 O3 -","- C33 H33 Cl3 O3 -","- C396 H396 Cl36 O36 -","12","3","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1864","0.071","","","0.1684","0.2235","","","","","","1.017","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053920","19.1589","0.0007","13.3863","0.0004","25.1489","0.001","90","","109.755","0.004","90","","6070.3","0.4","118","2","118","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Br-gf, 118 K","2,4,6-triethyl-1,3,5-tris(4-bromophenoxy)methylbenzene","","- C33 H33 Br3 O3 -","- C33 H33 Br3 O3 -","- C264 H264 Br24 O24 -","8","2","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.107","0.0587","","","0.1247","0.1471","","","","","","1.025","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053921","19.1937","0.0007","13.4082","0.0004","25.1997","0.0011","90","","109.775","0.004","90","","6102.8","0.4","154","2","154","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Br-gf, 154 K","2,4,6-triethyl-1,3,5-tris(4-bromophenoxy)methylbenzene","","- C33 H33 Br3 O3 -","- C33 H33 Br3 O3 -","- C264 H264 Br24 O24 -","8","2","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.125","0.0638","","","0.1303","0.1569","","","","","","1.014","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053922","19.226","0.0007","13.4255","0.0005","25.2443","0.0013","90","","109.776","0.005","90","","6131.7","0.5","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Br-gf, 190 K","2,4,6-triethyl-1,3,5-tris(4-bromophenoxy)methylbenzene","","- C33 H33 Br3 O3 -","- C33 H33 Br3 O3 -","- C264 H264 Br24 O24 -","8","2","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1484","0.068","","","0.1404","0.1754","","","","","","1.008","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053923","19.267","0.0008","13.4479","0.0005","25.3027","0.0016","90","","109.815","0.006","90","","6167.8","0.6","226","2","226","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Br-gf, 226 K","2,4,6-triethyl-1,3,5-tris(4-bromophenoxy)methylbenzene","","- C33 H33 Br3 O3 -","- C33 H33 Br3 O3 -","- C264 H264 Br24 O24 -","8","2","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1953","0.0824","","","0.1825","0.2408","","","","","","1.011","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053924","9.6682","0.0004","13.4772","0.0007","23.8893","0.0014","90","","92.463","0.005","90","","3109.9","0.3","262","0.2","262","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Br-gf, 262 K","2,4,6-triethyl-1,3,5-tris(4-bromophenoxy)methylbenzene","","- C33 H33 Br3 O3 -","- C33 H33 Br3 O3 -","- C132 H132 Br12 O12 -","4","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1786","0.0644","","","0.1162","0.1538","","","","","","1.005","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053925","9.6977","0.0005","13.4907","0.0007","23.9687","0.0019","90","","92.416","0.006","90","","3133","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Br-gf, 298 K","2,4,6-triethyl-1,3,5-tris(4-bromophenoxy)methylbenzene","","- C33 H33 Br3 O3 -","- C33 H33 Br3 O3 -","- C132 H132 Br12 O12 -","4","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.2023","0.0701","","","0.1436","0.1989","","","","","","0.999","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053926","19.4397","0.0004","13.3256","0.0003","26.3234","0.0006","90","","108.968","0.003","90","","6448.7","0.3","118","2","118","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","I-gf, 118 K","2,4,6-triethyl-1,3,5-tris(4-iodophenoxy)methylbenzene","","- C33 H33 I3 O3 -","- C33 H33 I3 O3 -","- C264 H264 I24 O24 -","8","2","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.0651","0.0388","","","0.0767","0.0873","","","","","","1.026","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053927","19.4896","0.0006","13.3369","0.0003","26.3205","0.0007","90","","108.892","0.003","90","","6473","0.3","154","2","154","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 I3 O3 -","- C33 H33 I3 O3 -","- C264 H264 I24 O24 -","8","2","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.0966","0.0504","","","0.0899","0.109","","","","","","1.022","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053928","19.5482","0.0007","13.3514","0.0005","26.3226","0.0008","90","","108.848","0.004","90","","6501.7","0.4","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","I-gf, 190 K","2,4,6-triethyl-1,3,5-tris(4-iodophenoxy)methylbenzene","","- C33 H33 I3 O3 -","- C33 H33 I3 O3 -","- C264 H264 I24 O24 -","8","2","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1101","0.0542","","","0.093","0.115","","","","","","1.017","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053929","19.6173","0.0007","13.3722","0.0004","26.3254","0.0009","90","","108.829","0.004","90","","6536.3","0.4","226","2","226","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","I-gf, 226 K","2,4,6-triethyl-1,3,5-tris(4-iodophenoxy)methylbenzene","","- C33 H33 I3 O3 -","- C33 H33 I3 O3 -","- C264 H264 I24 O24 -","8","2","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1243","0.0576","","","0.1084","0.1373","","","","","","1.009","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053930","19.7104","0.0009","13.3901","0.0005","26.3231","0.001","90","","108.829","0.005","90","","6575.5","0.5","262","2","262","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","I-gf, 262 K","2,4,6-triethyl-1,3,5-tris(4-iodophenoxy)methylbenzene","","- C33 H33 I3 O3 -","- C33 H33 I3 O3 -","- C264 H264 I24 O24 -","8","2","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1501","0.0625","","","0.1214","0.1596","","","","","","1.007","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053931","9.9304","0.0005","13.4111","0.0006","24.9283","0.0015","90","","93.303","0.005","90","","3314.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","I-gf, 298 K","2,4,6-triethyl-1,3,5-tris(4-iodophenoxy)methylbenzene","","- C33 H33 I3 O3 -","- C33 H33 I3 O3 -","- C132 H132 I12 O12 -","4","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1043","0.0471","","","0.0962","0.1198","","","","","","1.005","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053932","9.6153","0.0003","13.3561","0.0006","14.5104","0.0008","111.81","0.005","92.311","0.004","90.228","0.003","1728.31","0.15","118","2","118","2","","","","","","","","4","P -1","-P 1","2","Cl-ea, 118 K","2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene, ethyl acetate","","- C37 H41 Cl3 O5 -","- C33 H33 Cl3 O3 -","- C66 H66 Cl6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1399","0.1196","","","0.3345","0.3444","","","","","","1.112","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053933","9.6338","0.0004","13.382","0.0008","14.5496","0.0011","111.658","0.006","92.203","0.005","90.17","0.004","1741.7","0.2","154","2","154","2","","","","","","","","4","P -1","-P 1","2","Cl-ea, 154 K","2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene, ethyl acetate","","- C37 H41 Cl3 O5 -","- C33 H33 Cl3 O3 -","- C66 H66 Cl6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.135","0.1068","","","0.3099","0.3252","","","","","","1.049","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053934","9.6558","0.0004","13.4048","0.0007","14.5814","0.0011","111.503","0.006","92.122","0.005","90.099","0.004","1754.53","0.19","190","2","190","2","","","","","","","","4","P -1","-P 1","2","Cl-ea, 190 K","2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene, ethyl acetate","","- C37 H41 Cl3 O5 -","- C33 H33 Cl3 O3 -","- C66 H66 Cl6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1393","0.1086","","","0.3176","0.3354","","","","","","1.049","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053935","9.6879","0.0005","13.428","0.0008","14.6215","0.0011","111.346","0.006","92.071","0.005","90.031","0.005","1770.3","0.2","226","2","226","2","","","","","","","","4","P -1","-P 1","2","Cl-ea, 226 K","2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene, ethyl acetate","","- C37 H41 Cl3 O5 -","- C33 H33 Cl3 O3 -","- C66 H66 Cl6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1476","0.1069","","","0.3096","0.3326","","","","","","1.042","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053936","9.7104","0.0004","13.4378","0.0009","14.6582","0.0012","111.156","0.007","92.048","0.005","89.974","0.004","1782.5","0.2","262","2","262","2","","","","","","","","4","P -1","-P 1","2","Cl-ea, 262 K","2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene, ethyl acetate","","- C37 H41 Cl3 O5 -","- C33 H33 Cl3 O3 -","- C66 H66 Cl6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1544","0.1114","","","0.3405","0.3675","","","","","","1.075","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053937","9.7599","0.0007","13.466","0.0012","14.7073","0.0015","110.972","0.009","92.061","0.007","89.844","0.007","1803.6","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Cl-ea, 298 K","2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene, ethyl acetate","","- C37 H41 Cl3 O5 -","- C33 H33 Cl3 O3 -","- C66 H66 Cl6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.147","0.0899","","","0.2636","0.3056","","","","","","1.026","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053938","9.6357","0.0004","13.3206","0.0006","14.8618","0.0008","111.93","0.005","93.132","0.004","90.688","0.003","1765.81","0.16","118","2","118","2","","","","","","","","4","P -1","-P 1","2","Br-ea, 118 K","2,4,6-triethyl-1,3,5-tris(4-bromophenoxy)methylbenzene, ethyl acetate","","- C37 H41 Br3 O5 -","- C33 H33 Br3 O3 -","- C66 H66 Br6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.071","0.0468","","","0.1286","0.1393","","","","","","1.057","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053939","9.6832","0.0005","13.3456","0.0007","14.8992","0.0009","111.677","0.006","92.868","0.005","90.53","0.004","1786.19","0.19","154","2","154","2","","","","","","","","4","P -1","-P 1","2","Br-ea, 154 K","2,4,6-triethyl-1,3,5-tris(4-bromophenoxy)methylbenzene, ethyl acetate","","- C37 H41 Br3 O5 -","- C33 H33 Br3 O3 -","- C66 H66 Br6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.078","0.045","","","0.1104","0.1215","","","","","","0.988","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053940","9.7089","0.0004","13.3527","0.0007","14.9175","0.0009","111.537","0.005","92.79","0.004","90.451","0.004","1796.06","0.17","190","2","190","2","","","","","","","","4","P -1","-P 1","2","Br-ea, 190 K","2,4,6-triethyl-1,3,5-tris(4-bromophenoxy)methylbenzene, ethyl acetate","","- C37 H41 Br3 O5 -","- C33 H33 Br3 O3 -","- C66 H66 Br6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.0896","0.0489","","","0.1288","0.1424","","","","","","1.02","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053941","9.7426","0.0004","13.3708","0.0007","14.9451","0.0009","111.356","0.005","92.755","0.004","90.399","0.004","1810.44","0.17","226","2","226","2","","","","","","","","4","P -1","-P 1","2","Br-ea, 226 K","2,4,6-triethyl-1,3,5-tris(4-bromophenoxy)methylbenzene, ethyl acetate","","- C37 H41 Br3 O5 -","- C33 H33 Br3 O3 -","- C66 H66 Br6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.104","0.052","","","0.1355","0.1543","","","","","","0.968","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053942","9.776","0.0005","13.3875","0.0007","14.9897","0.001","111.204","0.006","92.694","0.005","90.304","0.004","1826.4","0.2","262","2","262","2","","","","","","","","4","P -1","-P 1","2","Br-ea, 262 K","2,4,6-triethyl-1,3,5-tris(4-bromophenoxy)methylbenzene, ethyl acetate","","- C37 H41 Br3 O5 -","- C33 H33 Br3 O3 -","- C66 H66 Br6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1245","0.0632","","","0.1807","0.2057","","","","","","1.035","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053943","9.8063","0.0006","13.4053","0.0012","15.0177","0.001","110.995","0.008","92.706","0.005","90.183","0.006","1840.6","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Br-ea, 298 K","2,4,6-triethyl-1,3,5-tris(4-bromophenoxy)methylbenzene, ethyl acetate","","- C37 H41 Br3 O5 -","- C33 H33 Br3 O3 -","- C66 H66 Br6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.151","0.0623","","","0.1593","0.1906","","","","","","0.926","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053944","9.8275","0.0005","13.2269","0.0008","15.4915","0.0008","111.605","0.005","94.919","0.004","91.912","0.005","1860.74","0.19","118","2","118","2","","","","","","","","4","P -1","-P 1","2","I-ea, 118 K","2,4,6-triethyl-1,3,5-tris(4-iodophenoxy)methylbenzene, ethyl acetate","","- C37 H41 I3 O5 -","- C33 H33 I3 O3 -","- C66 H66 I6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.0649","0.046","","","0.1205","0.1313","","","","","","1.056","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053945","9.8405","0.0007","13.2389","0.0011","15.5067","0.001","111.319","0.007","94.776","0.005","91.678","0.006","1871.5","0.3","154","2","154","2","","","","","","","","4","P -1","-P 1","2","I-ea, 154 K","2,4,6-triethyl-1,3,5-tris(4-iodophenoxy)methylbenzene, ethyl acetate","","- C37 H41 I3 O5 -","- C33 H33 I3 O3 -","- C66 H66 I6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.0753","0.0493","","","0.1219","0.1368","","","","","","1.007","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053946","9.8581","0.0004","13.2593","0.0006","15.5438","0.0006","111.2","0.004","94.483","0.003","91.411","0.004","1885.4","0.15","190","2","190","2","","","","","","","","4","P -1","-P 1","2","I-ea, 190 K","2,4,6-triethyl-1,3,5-tris(4-iodophenoxy)methylbenzene, ethyl acetate","","- C37 H41 I3 O5 -","- C33 H33 I3 O3 -","- C66 H66 I6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.061","0.0425","","","0.1116","0.1207","","","","","","1.087","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053947","9.906","0.0005","13.3034","0.0006","15.5724","0.0007","111.092","0.004","94.353","0.004","91.198","0.004","1906.61","0.16","226","2","226","2","","","","","","","","4","P -1","-P 1","2","I-ea, 226 K","2,4,6-triethyl-1,3,5-tris(4-iodophenoxy)methylbenzene, ethyl acetate","","- C37 H41 I3 O5 -","- C33 H33 I3 O3 -","- C66 H66 I6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.0694","0.0471","","","0.1258","0.1363","","","","","","1.085","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053948","9.9501","0.0004","13.3296","0.0005","15.5931","0.0007","110.937","0.004","94.265","0.004","91.077","0.004","1923.94","0.15","262","2","262","2","","","","","","","","4","P -1","-P 1","2","I-ea, 262 K","2,4,6-triethyl-1,3,5-tris(4-iodophenoxy)methylbenzene, ethyl acetate","","- C37 H41 I3 O5 -","- C33 H33 I3 O3 -","- C66 H66 I6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.0804","0.0506","","","0.1398","0.1523","","","","","","1.1","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053949","9.9945","0.0005","13.3552","0.0007","15.6205","0.0008","110.795","0.005","94.271","0.004","90.921","0.004","1941.74","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","I-ea, 298 K","2,4,6-triethyl-1,3,5-tris(4-iodophenoxy)methylbenzene, ethyl acetate","","- C37 H41 I3 O5 -","- C33 H33 I3 O3 -","- C66 H66 I6 O6 -","2","1","","Saraswatula, Viswanadha G.; Saha, Binoy K.","The effect of temperature on interhalogen interactions in a series of isostructural organic systems","New Journal of Chemistry","2014","38","3","897","","10.1039/c3nj01395b","","","0.71073","MoKα","","0.1014","0.0618","","","0.1671","0.1923","","","","","","1.126","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053950","6.6056","0.0007","8.1991","0.001","9.6416","0.0012","75.649","0.012","71.705","0.008","78.569","0.01","476.19","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","bis(3-nitrophenol-2-yl)tetranitrosyl diiron","","- C12 H8 Fe2 N6 O8 S2 -","- C12 H8 Fe2 N6 O8 S2 -","- C12 H8 Fe2 N6 O8 S2 -","1","0.5","","Sanina, N. A.; Krivenko, A. G.; Manzhos, R. A.; Emel'yanova, N. S.; Kozub, G. I.; Korchagin, D. V.; Shilov, G. V.; Kondrat'eva, T. A.; Ovanesyan, N. S.; Aldoshin, S. M.","Influence of aromatic ligand on the redox activity of neutral binuclear tetranitrosyl iron complexes [Fe2(μ-SR)2(NO)4]: experiments and quantum-chemical modeling","New Journal of Chemistry","2014","38","1","292","","10.1039/c3nj00704a","","","0.7107","MoKα","","0.0485","0.0344","","","0.0673","0.0734","","","","","","0.9","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053951","17.913","0.002","9.5455","0.0012","8.8695","0.0011","90","","99.613","0.002","90","","1495.3","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Fe O -","- C19 H16 Fe O -","- C76 H64 Fe4 O4 -","4","1","","Deepthi, Sadanala Bhavya; Trivedi, Rajiv; Giribabu, Lingamallu; Sujitha, Pombala; Ganesh Kumar, C.; Sridhar, B.","(4-Ferrocenylphenyl)propargyl ether derived carbohydrate triazoles: influence of a hydrophobic linker on the electrochemical and cytotoxic properties","New Journal of Chemistry","2014","38","1","227","","10.1039/c3nj01022h","","","0.71073","MoKα","","0.036","0.0309","","","0.0808","0.0842","","","","","","1.037","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053952","7.9131","0.0008","17.7611","0.0019","14.9879","0.0018","90","","99.912","0.003","90","","2075","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H5 D6 N6 Ni S4 -","- C16 H5 D6 N6 Ni S4 -","- C64 H20 D24 N24 Ni4 S16 -","4","1","","Ning, Wei-Hua; Chen, Xuan-Rong; Liu, Jian-Lan; Guo, Ping-Chun; Ren, Xiao-Ming","Two magnetic phase transitions, driven by symmetry breaking and isostructural phase transitions, in a nickel-bis-dithiolene spin system","New Journal of Chemistry","2014","38","1","179","","10.1039/c3nj01101a","","","0.71073","MoKα","","0.1512","0.0619","","","0.1549","0.1955","","","","","","0.999","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053953","15.494","0.0012","17.3801","0.0012","16.0217","0.0014","90","","110.099","0.009","90","","4051.7","0.6","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H5 D6 N6 Ni S4 -","- C16 H5 D6 N6 Ni S4 -","- C128 H40 D48 N48 Ni8 S32 -","8","2","","Ning, Wei-Hua; Chen, Xuan-Rong; Liu, Jian-Lan; Guo, Ping-Chun; Ren, Xiao-Ming","Two magnetic phase transitions, driven by symmetry breaking and isostructural phase transitions, in a nickel-bis-dithiolene spin system","New Journal of Chemistry","2014","38","1","179","","10.1039/c3nj01101a","","","0.71073","MoKα","","0.0852","0.0467","","","0.1011","0.1169","","","","","","1.024","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053954","7.8725","0.0009","17.8806","0.0017","15.1206","0.0016","90","","99.488","0.011","90","","2099.3","0.4","353","2","353","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H5 D6 N6 Ni S4 -","- C16 H5 D6 N6 Ni S4 -","- C64 H20 D24 N24 Ni4 S16 -","4","1","","Ning, Wei-Hua; Chen, Xuan-Rong; Liu, Jian-Lan; Guo, Ping-Chun; Ren, Xiao-Ming","Two magnetic phase transitions, driven by symmetry breaking and isostructural phase transitions, in a nickel-bis-dithiolene spin system","New Journal of Chemistry","2014","38","1","179","","10.1039/c3nj01101a","","","0.71073","MoKα","","0.1275","0.065","","","0.1672","0.2022","","","","","","1.024","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053955","7.508","0.0004","9.0339","0.0007","12.3483","0.0007","82.421","0.005","87.073","0.004","65.899","0.006","757.85","0.09","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C44 H32 O4 -","2","1","","Badave, Kirti D.; Patil, Shalaka S.; Khan, Ayesha A.; Srinivas, Darbha; Butcher, Raymond J.; Gonnade, Rajesh G.; Puranik, Vedavati G.; Pinjari, Rahul V.; Gejji, Shridhar P.; Rane, Sandhya Y.","Cu(ii) conjugation along the transformation of a vitamin K3 derivative to a dinaphthoquinone methide radical","New Journal of Chemistry","2014","38","1","277","","10.1039/c3nj00783a","","","1.54184","CuKα","","0.0523","0.0489","","","0.1381","0.142","","","","","","1.068","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053956","8.152","0.003","10.886","0.004","14.782","0.005","90","","90","","90","","1311.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Dy O6 -","- C11 H15 Dy O6 -","- C44 H60 Dy4 O24 -","4","1","","Sun, Ming-Ling; Zhang, Xin; Huang, Yuan-Yuan; Lin, Qi-Pu; Qin, Ye-Yan; Yao, Yuan-Gen","Homochiral 3D lanthanide camphorates with high thermal stability","New Journal of Chemistry","2014","38","1","55","","10.1039/c3nj00981e","","","0.71073","MoKα","","0.0314","0.0293","","","0.0742","0.0754","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053957","8.1178","0.0005","10.9087","0.0007","14.7493","0.001","90","","90","","90","","1306.12","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Er O6 -","- C11 H15 Er O6 -","- C44 H60 Er4 O24 -","4","1","","Sun, Ming-Ling; Zhang, Xin; Huang, Yuan-Yuan; Lin, Qi-Pu; Qin, Ye-Yan; Yao, Yuan-Gen","Homochiral 3D lanthanide camphorates with high thermal stability","New Journal of Chemistry","2014","38","1","55","","10.1039/c3nj00981e","","","0.71073","MoKα","","0.0381","0.0352","","","0.0826","0.0844","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053958","8.1824","0.0003","10.8837","0.0005","14.7894","0.0009","90","","90","","90","","1317.07","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Ho O6 -","- C11 H15 Ho O6 -","- C44 H60 Ho4 O24 -","4","1","","Sun, Ming-Ling; Zhang, Xin; Huang, Yuan-Yuan; Lin, Qi-Pu; Qin, Ye-Yan; Yao, Yuan-Gen","Homochiral 3D lanthanide camphorates with high thermal stability","New Journal of Chemistry","2014","38","1","55","","10.1039/c3nj00981e","","","0.71073","MoKα","","0.0341","0.032","","","0.0731","0.0747","","","","","","1.054","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053959","32.8046","0.0013","7.5551","0.0007","16.8736","0.0014","90","0.004","104.401","0.003","90","0.003","4050.6","0.5","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C18.5 H16 Cl N3 Ni O2 S3 -","- C18.5 H16 Cl N3 Ni O2 S3 -","- C148 H128 Cl8 N24 Ni8 O16 S24 -","8","2","","Diwan, Kiran; Chauhan, Ratna; Singh, Santosh K.; Singh, Bandana; Drew, Michael G. B.; Bahadur, Lal; Singh, Nanhai","Light harvesting properties of some new heteroleptic dithiocarbimate‒diamine/diimine complexes of Ni, Pd and Pt studied as photosensitizer in dye-sensitized TiO2 solar cells","New Journal of Chemistry","2014","38","1","97","","10.1039/c3nj00507k","","","0.71073","MoKα","","0.1484","0.0658","","","0.1271","0.1484","","","","","","0.849","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053960","8.1369","0.0005","31.497","0.002","15.4964","0.0013","90","","99.381","0.006","90","","3918.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O2 Pd S3 -","- C18 H15 N3 O2 Pd S3 -","- C144 H120 N24 O16 Pd8 S24 -","8","2","","Diwan, Kiran; Chauhan, Ratna; Singh, Santosh K.; Singh, Bandana; Drew, Michael G. B.; Bahadur, Lal; Singh, Nanhai","Light harvesting properties of some new heteroleptic dithiocarbimate‒diamine/diimine complexes of Ni, Pd and Pt studied as photosensitizer in dye-sensitized TiO2 solar cells","New Journal of Chemistry","2014","38","1","97","","10.1039/c3nj00507k","","","0.71073","MoKα","","0.2011","0.0901","","","0.1508","0.1688","","","","","","0.919","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053961","12.4574","0.0013","15.641","0.0015","9.7801","0.001","90","","94.84","0.01","90","","1898.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N3 O2 Pd S3 -","- C14 H23 N3 O2 Pd S3 -","- C56 H92 N12 O8 Pd4 S12 -","4","1","","Diwan, Kiran; Chauhan, Ratna; Singh, Santosh K.; Singh, Bandana; Drew, Michael G. B.; Bahadur, Lal; Singh, Nanhai","Light harvesting properties of some new heteroleptic dithiocarbimate‒diamine/diimine complexes of Ni, Pd and Pt studied as photosensitizer in dye-sensitized TiO2 solar cells","New Journal of Chemistry","2014","38","1","97","","10.1039/c3nj00507k","","","0.71073","MoKα","","0.1595","0.1","","","0.2635","0.3099","","","","","","1.064","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053962","17.4587","0.0017","5.3231","0.0006","25.758","0.002","90","","106.132","0.002","90","","2299.5","0.4","296.1","","296.1","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 S7 -","- C22 H18 S7 -","- C88 H72 S28 -","4","1","","Tsujimoto, Keijiro; Ogasawara, Reiko; Kishi, Yosuke; Fujiwara, Hideki","TTF‒fluorene dyads and their M(CN)2− (M = Ag, Au) salts designed for photoresponsive conducting materials","New Journal of Chemistry","2014","38","1","406","","10.1039/c3nj00979c","","","0.71075","MoKα","","","0.0547","","","","0.085","","","","","","0.877","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053963","4.8941","0.0011","29.077","0.007","16.27","0.004","90","","90.862","0.003","90","","2315.1","1","293.1","","293.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag0.5 N S6 -","- C24 H16 Ag0.5 N S6 -","- C96 H64 Ag2 N4 S24 -","4","1","","Tsujimoto, Keijiro; Ogasawara, Reiko; Kishi, Yosuke; Fujiwara, Hideki","TTF‒fluorene dyads and their M(CN)2− (M = Ag, Au) salts designed for photoresponsive conducting materials","New Journal of Chemistry","2014","38","1","406","","10.1039/c3nj00979c","","","0.7107","MoKα","","","0.042","","","","0.046","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053964","4.8963","0.0016","29.144","0.01","16.156","0.006","90","","90.918","0.004","90","","2305.1","1.4","293.1","","293.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Au0.5 N S6 -","- C24 H16 Au0.5 N S6 -","- C96 H64 Au2 N4 S24 -","4","1","","Tsujimoto, Keijiro; Ogasawara, Reiko; Kishi, Yosuke; Fujiwara, Hideki","TTF‒fluorene dyads and their M(CN)2− (M = Ag, Au) salts designed for photoresponsive conducting materials","New Journal of Chemistry","2014","38","1","406","","10.1039/c3nj00979c","","","0.7107","MoKα","","","0.0473","","","","0.0482","","","","","","1.184","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053965","11.2202","0.0002","6.1966","0.0004","31.8009","0.001","90","","109.409","0.002","90","","2085.37","0.16","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound KO3","(E)-3-[(3-hydroxypropylamino)-phenylmethylidene]-1,3-dihydro-2H- 1-phenylpyrido[2,3-b]pyrrolo[2,3-e]pyrazin-2-one monohydrate","","- C25 H23 N5 O3 -","- C25 H23 N5 O3 -","- C100 H92 N20 O12 -","4","1","","Ostrowska, Katarzyna; Kaźmierska, Alicja; Rąpała-Kozik, Maria; Kalinowska-Tłuścik, Justyna","Ratiometric fluorescent Zn2+ and In3+ receptors of fused pyrazine with an aminopropanol chain in acetonitrile","New Journal of Chemistry","2014","38","1","213","","10.1039/c3nj00750b","","","0.71073","MoKα","","0.0984","0.0615","","","0.1642","0.1859","","","","","","1.038","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053966","9.1766","0.0001","11.1148","0.0001","21.7846","0.0002","90","","106.341","0.001","90","","2132.19","0.04","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-benzyl-3-[(3-hydroxypropylamino)-phenylmethylidene]-1,3-dihydro-2H- pyrido[2,3-b]pyrrolo[3,2-e]pyrazin-2-one- pyrido[3,4-b]pyrrolo[3,2-e]pyrazin-2-one","","- C26 H23 N5 O2 -","- C26 H23 N5 O2 -","- C104 H92 N20 O8 -","4","1","","Ostrowska, Katarzyna; Kaźmierska, Alicja; Rąpała-Kozik, Maria; Kalinowska-Tłuścik, Justyna","Ratiometric fluorescent Zn2+ and In3+ receptors of fused pyrazine with an aminopropanol chain in acetonitrile","New Journal of Chemistry","2014","38","1","213","","10.1039/c3nj00750b","","","0.71073","MoKα","","0.0498","0.0392","","","0.0952","0.1026","","","","","","1.034","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053967","13.2941","0.0005","4.6884","0.0002","21.0334","0.001","90","","90","","90","","1310.97","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","Compound 2","","","- C10 H18 Cl2 N2 -","- C10 H18 Cl2 N2 -","- C40 H72 Cl8 N8 -","4","1","","Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina","1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides","New Journal of Chemistry","2014","38","1","391","","10.1039/c3nj01226c","","x-ray","0.71073","MoKα","","0.0983","0.0509","","","0.1092","0.1306","","","","","","1.021","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053968","5.6218","0.0002","26.6363","0.0011","6.831","0.0002","90","","113.898","0.002","90","","935.2","0.06","173","2","173","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Compound 3","","","- C20 H22 Cl2 N2 -","- C20 H22 Cl2 N2 -","- C40 H44 Cl4 N4 -","2","1","","Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina","1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides","New Journal of Chemistry","2014","38","1","391","","10.1039/c3nj01226c","","x-ray","0.71073","MoKα","","0.0473","0.0387","","","0.0841","0.0894","","","","","","1.063","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053969","13.7371","0.00004","6.922","0.0002","20.0985","0.00059","90","","90","","90","","1911.13","0.08","293","2","293","2","","","","","","","synthesis as described","4","P c a b","-P 2bc 2ac","61","Compound 3","","","- C20 H22 Cl2 N2 -","- C20 H22 Cl2 N2 -","- C80 H88 Cl8 N8 -","4","0.5","","Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina","1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides","New Journal of Chemistry","2014","38","1","391","","10.1039/c3nj01226c","","x-ray","0.71073","MoKα","","0.2867","0.2517","","","0.6082","0.6407","","","","","","2.986","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053970","11.6141","0.0003","17.4168","0.0005","21.0756","0.0008","90","","90","","90","","4263.2","0.2","293","2","293","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","Compound 10","","","- C12 H26 Al2 Cl4 N2 -","- C12 H26 Al2 Cl4 N2 -","- C96 H208 Al16 Cl32 N16 -","8","1","","Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina","1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides","New Journal of Chemistry","2014","38","1","391","","10.1039/c3nj01226c","","x-ray","0.71073","MoKα","","0.212","0.0876","","","0.2039","0.2776","","","","","","1.019","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053971","6.988","0.01","23.822","0.02","9.334","0.05","90","0.009","101.68","","90","0.009","1522","9","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","Compound 11","","","- C28 H30 Al Cl4 N3 -","- C28 H30 Al Cl4 N3 -","- C56 H60 Al2 Cl8 N6 -","2","1","","Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina","1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides","New Journal of Chemistry","2014","38","1","391","","10.1039/c3nj01226c","","x-ray","0.71073","MoKα","","0.0938","0.0617","","","0.1446","0.1627","","","","","","1.031","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053972","10.9102","0.0003","20.2966","0.0005","21.7692","0.0007","90","","90","","90","","4820.6","0.2","293","2","293","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","Compound 14[AlCl4]","","","- C16 H30 Al Cl4 N3 -","- C16 H30 Al Cl4 N3 -","- C128 H240 Al8 Cl32 N24 -","8","1","","Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina","1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides","New Journal of Chemistry","2014","38","1","391","","10.1039/c3nj01226c","","x-ray","0.71073","MoKα","","0.2139","0.0881","","","0.1997","0.2505","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053973","13.533","0.002","11.4237","0.0013","18.787","0.002","90","","125.466","0.008","90","","2365.5","0.6","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","Compound 14[I3]","","","- C16 H30 I3 N3 -","- C16 H30 I3 N3 -","- C64 H120 I12 N12 -","4","1","","Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina","1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides","New Journal of Chemistry","2014","38","1","391","","10.1039/c3nj01226c","","x-ray","0.71073","MoKα","","0.205","0.109","","","0.2556","0.3658","","","","","","1.15","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053974","6.9619","0.0002","13.4095","0.0005","35.1631","0.0009","90","","90","","90","","3282.67","0.18","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","Compound 17","","","- C28 H38 Cl5 In N2 O2 -","- C28 H38 Cl5 In N2 O2 -","- C112 H152 Cl20 In4 N8 O8 -","4","1","","Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina","1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides","New Journal of Chemistry","2014","38","1","391","","10.1039/c3nj01226c","","x-ray","0.71073","MoKα","","0.1719","0.0707","","","0.1152","0.1444","","","","","","0.994","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053975","8.0012","0.0005","11.8726","0.0007","14.0979","0.0009","90","","104.441","0.001","90","","1296.92","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hydrazinium_nitroformate","","","- C H5 N5 O6 -","- C H5 N5 O6 -","- C8 H40 N40 O48 -","8","2","","Joo, Young-Hyuk; Min, Byoung Sun","Denitration of hydrazinium nitroformate to form hydrazinium dinitromethanide","New Journal of Chemistry","2014","38","1","50","","10.1039/c3nj01203d","","","0.71073","MoKα","","0.0525","0.039","","","0.0938","0.1","","","","","","0.989","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053976","3.701","0.003","13.875","0.011","10.753","0.009","90","","98.833","0.009","90","","545.6","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hydrazinium_dinitromethanide","","","- C H6 N4 O4 -","- C H6 N4 O4 -","- C4 H24 N16 O16 -","4","1","","Joo, Young-Hyuk; Min, Byoung Sun","Denitration of hydrazinium nitroformate to form hydrazinium dinitromethanide","New Journal of Chemistry","2014","38","1","50","","10.1039/c3nj01203d","","","0.71073","MoKα","","0.1428","0.0415","","","0.0843","0.1064","","","","","","0.856","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053977","9.2673","0.0002","10.8959","0.0003","15.1558","0.0005","94.759","0.001","91.357","0.001","105.731","0.001","1466.27","0.07","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 F6 N5 O8 S2 -","- C24 H29 F6 N5 O8 S2 -","- C48 H58 F12 N10 O16 S4 -","2","1","","Ranyuk, Elena; Ermakova, Elizaveta V.; Bovigny, Laura; Meyer, Michel; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Rousselin, Yoann; Tsivadze, Aslan Yu.; Arslanov, Vladimir V.","Towards sensory Langmuir monolayers consisting of macrocyclic pentaaminoanthraquinone","New Journal of Chemistry","2014","38","1","317","","10.1039/c3nj01121f","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0841","0.0443","","","0.0993","0.1146","","","","","","1.026","","","","has coordinates","190386","2020-10-21","18:00:00",""
"7053978","7.1884","0.0002","11.2777","0.0003","16.3837","0.0006","107.004","0.002","93.659","0.002","102.998","0.001","1225.57","0.07","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H30 F3 N5 O6 S -","- C23 H30 F3 N5 O6 S -","- C46 H60 F6 N10 O12 S2 -","2","1","","Ranyuk, Elena; Ermakova, Elizaveta V.; Bovigny, Laura; Meyer, Michel; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Rousselin, Yoann; Tsivadze, Aslan Yu.; Arslanov, Vladimir V.","Towards sensory Langmuir monolayers consisting of macrocyclic pentaaminoanthraquinone","New Journal of Chemistry","2014","38","1","317","","10.1039/c3nj01121f","","x-ray","0.71073","MoKα~1~","K-L~3~","0.1635","0.0976","","","0.2758","0.3203","","","","","","1.079","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053979","14.6062","0.0015","17.4899","0.0016","13.2962","0.0015","90","","90","","90","","3396.7","0.6","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- B10 O21 Pb4 Zn2 -","- B10 O21 Pb4 Zn2 -","- B80 O168 Pb32 Zn16 -","8","1","","Yu, Hongwei; Wu, Hongping; Pan, Shilie; Zhang, Bingbing; Dong, Lingyun; Han, Shujuan; Yang, Zhihua","Pb4Zn2B10O21: a congruently melting lead zinc borate with a novel [B10O24] anionic group and an interesting [Pb4O12]∞chain","New Journal of Chemistry","2014","38","1","285","","10.1039/c3nj00893b","","","0.71073","MoKα","","0.0488","0.0289","","","0.0623","0.0702","","","","","","1.03","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053980","16.5929","0.0016","16.5929","0.0016","33.137","0.005","90","","90","","120","","7901.1","1.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","{[Cu2(1-tza)4].Br.H3O.1/3H2O}","[Cu2(1-tza)4]BrH3O1/3H2O","","- C12 H15.67 Br Cu2 N16 O9.33 -","- C12 H12 Br Cu2 N16 O9.33333 -","- C108 H108 Br9 Cu18 N144 O84 -","9","0.5","","Chen, Jun; Wang, Shuai-Hua; Liu, Zhi-Fa; Wu, Mei-Feng; Xiao, Yu; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Anion-directed self-assembly of Cu(ii) coordination compounds with tetrazole-1-acetic acid: syntheses in ionic liquids and crystal structures","New Journal of Chemistry","2014","38","1","269","","10.1039/c3nj01198d","","","0.71073","MoKα","","0.0631","0.0496","","","0.1663","0.1779","","","","","","1.024","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053981","24.074","0.004","24.074","0.004","5.1021","0.0016","90","","90","","90","","2957","1.2","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","[Cu2(1-tza)4]BF4.H3O.H2O","","","- C12 H19 B Cu2 F4 N16 O10 -","- C12 H12 B Cu2 F4 N16 O10 -","- C48 H48 B4 Cu8 F16 N64 O40 -","4","0.25","","Chen, Jun; Wang, Shuai-Hua; Liu, Zhi-Fa; Wu, Mei-Feng; Xiao, Yu; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Anion-directed self-assembly of Cu(ii) coordination compounds with tetrazole-1-acetic acid: syntheses in ionic liquids and crystal structures","New Journal of Chemistry","2014","38","1","269","","10.1039/c3nj01198d","","","0.71073","MoKα","","0.0862","0.0666","","","0.171","0.1875","","","","","","1.095","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053982","6.537","0.002","9.314","0.003","11.282","0.004","108.282","0.003","99.043","0.004","98.41","0.002","630","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Cu(Ì2-Cl)(1-tza)(1-Htza)(H2O)].1/2H2O","","","- C6 H10 Cl Cu N8 O5.5 -","- C6 H9 Cl Cu N8 O5.5 -","- C12 H18 Cl2 Cu2 N16 O11 -","2","1","","Chen, Jun; Wang, Shuai-Hua; Liu, Zhi-Fa; Wu, Mei-Feng; Xiao, Yu; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Anion-directed self-assembly of Cu(ii) coordination compounds with tetrazole-1-acetic acid: syntheses in ionic liquids and crystal structures","New Journal of Chemistry","2014","38","1","269","","10.1039/c3nj01198d","","","0.71073","MoKα","","0.0367","0.0299","","","0.0787","0.0958","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053983","8.8662","0.0006","10.172","0.0006","16.634","0.0011","90","","90","","90","","1500.17","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[CuCl2(1-Htza)2(H2O)].H2O","","","- C6 H12 Cl2 Cu N8 O6 -","- C6 H12 Cl2 Cu N8 O6 -","- C24 H48 Cl8 Cu4 N32 O24 -","4","1","","Chen, Jun; Wang, Shuai-Hua; Liu, Zhi-Fa; Wu, Mei-Feng; Xiao, Yu; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Anion-directed self-assembly of Cu(ii) coordination compounds with tetrazole-1-acetic acid: syntheses in ionic liquids and crystal structures","New Journal of Chemistry","2014","38","1","269","","10.1039/c3nj01198d","","","0.71073","MoKα","","0.0492","0.0392","","","0.0769","0.0809","","","","","","1.004","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053984","26.882","0.016","6.802","0.003","7.981","0.007","90","","103.38","0.03","90","","1419.7","1.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","[CuCl2(1-Htza)2].H2O","","","- C6 H10 Cl2 Cu N8 O5 -","- C6 H10 Cl2 Cu N8 O5 -","- C24 H40 Cl8 Cu4 N32 O20 -","4","1","","Chen, Jun; Wang, Shuai-Hua; Liu, Zhi-Fa; Wu, Mei-Feng; Xiao, Yu; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Anion-directed self-assembly of Cu(ii) coordination compounds with tetrazole-1-acetic acid: syntheses in ionic liquids and crystal structures","New Journal of Chemistry","2014","38","1","269","","10.1039/c3nj01198d","","","0.71073","MoKα","","0.0356","0.0334","","","0.0845","0.0864","","","","","","1.01","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053985","10.8546","0.0005","7.6314","0.0004","36.279","0.003","90","","95.896","0.005","90","","2989.3","0.3","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H32 B F4 Fe N2 P S -","- C33 H32 B F4 Fe N2 P S -","- C132 H128 B4 F16 Fe4 N8 P4 S4 -","4","1","","Loxq, Pauline; Debono, Nathalie; Gülcemal, Süleyman; Daran, Jean-Claude; Manoury, Eric; Poli, Rinaldo; Çetinkaya, Bekir; Labande, Agnès","Palladium(ii) complexes with planar chiral ferrocenyl phosphane‒(benz)imidazol-2-ylidene ligands","New Journal of Chemistry","2014","38","1","338","","10.1039/c3nj00863k","","","0.71073","MoKα","","0.0893","0.0818","","","0.173","0.1766","","","","","","1.235","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053986","25.6211","0.0011","9.1","0.0004","34.974","0.0013","90","","98.942","0.002","90","","8055.2","0.6","180","2","180","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C44.5 H48 B Cl F4 Fe N2 O0.5 P S -","- C42 H42 B F4 Fe N2 P S -","- C336 H336 B8 F32 Fe8 N16 P8 S8 -","8","1","","Loxq, Pauline; Debono, Nathalie; Gülcemal, Süleyman; Daran, Jean-Claude; Manoury, Eric; Poli, Rinaldo; Çetinkaya, Bekir; Labande, Agnès","Palladium(ii) complexes with planar chiral ferrocenyl phosphane‒(benz)imidazol-2-ylidene ligands","New Journal of Chemistry","2014","38","1","338","","10.1039/c3nj00863k","","","0.71073","MoKα","","0.0471","0.0389","","","0.0988","0.1029","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053987","31.0431","0.001","9.7619","0.0003","12.6606","0.0004","90","","95.076","0.002","90","","3821.6","0.2","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C39.5 H43 Cl5 Fe N2 O0.5 P Pd -","- C37 H33 Cl4 Fe N2 P Pd -","- C148 H132 Cl16 Fe4 N8 P4 Pd4 -","4","1","","Loxq, Pauline; Debono, Nathalie; Gülcemal, Süleyman; Daran, Jean-Claude; Manoury, Eric; Poli, Rinaldo; Çetinkaya, Bekir; Labande, Agnès","Palladium(ii) complexes with planar chiral ferrocenyl phosphane‒(benz)imidazol-2-ylidene ligands","New Journal of Chemistry","2014","38","1","338","","10.1039/c3nj00863k","","","0.71073","MoKα","","0.0326","0.0286","","","0.0732","0.0749","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053988","11.8749","0.0003","15.7967","0.0004","16.9843","0.0004","90","","100.01","0.002","90","","3137.49","0.14","180","2","180","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C67.5 H65 Cl4 Fe2 N4 O0.5 P2 Pd2 -","- C66 H62 Cl4 Fe2 N4 P2 Pd2 -","- C132 H124 Cl8 Fe4 N8 P4 Pd4 -","2","1","","Loxq, Pauline; Debono, Nathalie; Gülcemal, Süleyman; Daran, Jean-Claude; Manoury, Eric; Poli, Rinaldo; Çetinkaya, Bekir; Labande, Agnès","Palladium(ii) complexes with planar chiral ferrocenyl phosphane‒(benz)imidazol-2-ylidene ligands","New Journal of Chemistry","2014","38","1","338","","10.1039/c3nj00863k","","","0.71073","MoKα","","0.0339","0.0294","","","0.0702","0.0727","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053989","10.6863","0.0008","13.7235","0.0009","13.9621","0.0009","75.975","0.006","77.655","0.006","70.728","0.006","1855.1","0.2","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C42.5 H43 Cl2 Fe N2 O0.5 P Pd -","- C42 H41 Cl2 Fe N2 P Pd -","- C84 H82 Cl4 Fe2 N4 P2 Pd2 -","2","1","","Loxq, Pauline; Debono, Nathalie; Gülcemal, Süleyman; Daran, Jean-Claude; Manoury, Eric; Poli, Rinaldo; Çetinkaya, Bekir; Labande, Agnès","Palladium(ii) complexes with planar chiral ferrocenyl phosphane‒(benz)imidazol-2-ylidene ligands","New Journal of Chemistry","2014","38","1","338","","10.1039/c3nj00863k","","","0.71073","MoKα","","0.091","0.0594","","","0.116","0.1271","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053990","7.8506","0.0001","21.874","0.0004","8.1508","0.0002","90","","103.012","0.0006","90","","1363.75","0.05","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aqua-bis(4-methylpyridine)-bis(3-nitrobenzoate) copper(ii)","","- C26 H22 Cu N4 O8 -","- C26 H22 Cu N4 O8 -","- C52 H44 Cu2 N8 O16 -","2","0.5","","Sharma, Raj Pal; Saini, Anju; Monga, Divyakshi; Venugopalan, Paloth; Jezierska, Julia; Ozarowski, Andrew; Ferretti, Valeria","Influence of nitrogen donor ligands on the coordination modes of copper(ii) 2-nitrobenzoate complexes: structures, DFT calculations and magnetic properties","New Journal of Chemistry","2014","38","1","437","","10.1039/c3nj00736g","","","0.71073","MoKα","","0.0472","0.038","","","0.1063","0.1148","","","","","","1.077","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053991","8.002","0.0002","12.2397","0.0003","14.518","0.0003","90","","105.179","0.0011","90","","1372.32","0.06","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cu N4 O10 -","- C26 H26 Cu N4 O10 -","- C52 H52 Cu2 N8 O20 -","2","0.5","","Sharma, Raj Pal; Saini, Anju; Monga, Divyakshi; Venugopalan, Paloth; Jezierska, Julia; Ozarowski, Andrew; Ferretti, Valeria","Influence of nitrogen donor ligands on the coordination modes of copper(ii) 2-nitrobenzoate complexes: structures, DFT calculations and magnetic properties","New Journal of Chemistry","2014","38","1","437","","10.1039/c3nj00736g","","","0.71073","MoKα","","0.0599","0.043","","","0.1217","0.1358","","","","","","1.016","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053992","7.6633","0.0002","27.2585","0.0007","8.584","0.0002","90","","117.584","0.0011","90","","1589.29","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(mu2-(2-hydroxyethylamino ethanolato)-bis(2-nitrobenzoate)-di copper(II)dihydrate","","- C26 H40 Cu2 N4 O16 -","- C26 H40 Cu2 N4 O16 -","- C52 H80 Cu4 N8 O32 -","2","0.5","","Sharma, Raj Pal; Saini, Anju; Monga, Divyakshi; Venugopalan, Paloth; Jezierska, Julia; Ozarowski, Andrew; Ferretti, Valeria","Influence of nitrogen donor ligands on the coordination modes of copper(ii) 2-nitrobenzoate complexes: structures, DFT calculations and magnetic properties","New Journal of Chemistry","2014","38","1","437","","10.1039/c3nj00736g","","","0.71073","MoKα","","0.0538","0.0454","","","0.1304","0.1415","","","","","","0.99","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053993","9.39","0.005","10.293","0.005","10.426","0.005","101.979","0.004","108.296","0.005","106.798","0.005","865.2","0.8","110","0.1","110","0.2","","","","","","","","6","P -1","-P 1","2","[CuL2](ClO4)2","","","- C30 H40 Cl2 Cu N8 O12 -","- C30 H40 Cl2 Cu N8 O12 -","- C30 H40 Cl2 Cu N8 O12 -","1","0.5","","Benkhellat, Zakia; Allali, Mustapha; Beley, Marc; Wenger, Emmanuel; Bernard, Maxime; Parizel, Nathalie; Selmeczi, Katalin; Joly, Jean-Pierre","Click synthesis of symmetric bis-triazol ligands and full characterisation of their copper(ii)-complexes","New Journal of Chemistry","2014","38","1","419","","10.1039/c3nj00570d","","","0.71073","MoKα","","0.0274","0.0249","","","0.0661","0.0678","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053994","9.383","0.005","10.299","0.008","11.3","0.009","70.19","0.04","66.08","0.03","73.3","0.05","924.7","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[CuL3](ClO4)2","","","- C32 H44 Cl2 Cu N8 O14 -","- C32 H44 Cl2 Cu N8 O14 -","- C32 H44 Cl2 Cu N8 O14 -","1","0.5","","Benkhellat, Zakia; Allali, Mustapha; Beley, Marc; Wenger, Emmanuel; Bernard, Maxime; Parizel, Nathalie; Selmeczi, Katalin; Joly, Jean-Pierre","Click synthesis of symmetric bis-triazol ligands and full characterisation of their copper(ii)-complexes","New Journal of Chemistry","2014","38","1","419","","10.1039/c3nj00570d","","","0.71073","MoKα","","0.0385","0.0344","","","0.0806","0.0839","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053995","26.3848","0.0004","18.7279","0.0003","27.6457","0.0006","90","","143.259","0.001","90","","8171.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL4](ClO4)2, DMF","","","- C33 H45 Cl4 Cu N9 O13 -","- C33 H45 Cl4 Cu N9 O13 -","- C264 H360 Cl32 Cu8 N72 O104 -","8","2","","Benkhellat, Zakia; Allali, Mustapha; Beley, Marc; Wenger, Emmanuel; Bernard, Maxime; Parizel, Nathalie; Selmeczi, Katalin; Joly, Jean-Pierre","Click synthesis of symmetric bis-triazol ligands and full characterisation of their copper(ii)-complexes","New Journal of Chemistry","2014","38","1","419","","10.1039/c3nj00570d","","","0.7107","MoKα","","0.058","0.04","","","0.0947","0.1075","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7053996","13.8278","0.0005","14.1824","0.0005","16.083","0.0007","89.792","0.004","78.263","0.004","87.476","0.002","3085.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[CuL7(MCN)](ClO4)2","","","- C25 H31 Cl2 Cu N9 O8 -","- C25 H31 Cl2 Cu N9 O8 -","- C100 H124 Cl8 Cu4 N36 O32 -","4","2","","Benkhellat, Zakia; Allali, Mustapha; Beley, Marc; Wenger, Emmanuel; Bernard, Maxime; Parizel, Nathalie; Selmeczi, Katalin; Joly, Jean-Pierre","Click synthesis of symmetric bis-triazol ligands and full characterisation of their copper(ii)-complexes","New Journal of Chemistry","2014","38","1","419","","10.1039/c3nj00570d","","","0.71073","MoKα","","0.1138","0.0864","","","0.2113","0.2355","","","","","","1.212","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053997","10.806","0.003","12.898","0.003","14.296","0.003","80.451","0.01","85.534","0.014","73.186","0.012","1880","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[CuL8(DMF)2](ClO4)2","","","- C31 H46 Cl2 Cu N10 O12 -","- C31 H46 Cl2 Cu N10 O12 -","- C62 H92 Cl4 Cu2 N20 O24 -","2","1","","Benkhellat, Zakia; Allali, Mustapha; Beley, Marc; Wenger, Emmanuel; Bernard, Maxime; Parizel, Nathalie; Selmeczi, Katalin; Joly, Jean-Pierre","Click synthesis of symmetric bis-triazol ligands and full characterisation of their copper(ii)-complexes","New Journal of Chemistry","2014","38","1","419","","10.1039/c3nj00570d","","","0.71073","MoKα","","0.0602","0.0473","","","0.1067","0.1139","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7053998","10.573","0.004","10.596","0.004","16.788","0.005","73.602","0.004","79.087","0.005","60.693","0.003","1570.4","1","100","2","100","","","","","","","","synthesis as described","6","P -1","-P 1","2","[CuL5(MeCN)](ClO4)2","","","- C26 H33 Cl2 Cu N9 O8 -","- C26 H33 Cl2 Cu N9 O8 -","- C52 H66 Cl4 Cu2 N18 O16 -","2","1","","Benkhellat, Zakia; Allali, Mustapha; Beley, Marc; Wenger, Emmanuel; Bernard, Maxime; Parizel, Nathalie; Selmeczi, Katalin; Joly, Jean-Pierre","Click synthesis of symmetric bis-triazol ligands and full characterisation of their copper(ii)-complexes","New Journal of Chemistry","2014","38","1","419","","10.1039/c3nj00570d","","x-ray","0.71073","MoKα","","0.0439","0.0347","","","0.0795","0.0854","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053999","14.8356","0.0004","25.4907","0.0006","8.1556","0.0002","90","","90","","90","","3084.2","0.13","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","[CuL6(ClO4)](ClO4)","","","- C25 H32 Cl2 Cu N8 O8 -","- C25 H32 Cl2 Cu N8 O8 -","- C100 H128 Cl8 Cu4 N32 O32 -","4","0.5","","Benkhellat, Zakia; Allali, Mustapha; Beley, Marc; Wenger, Emmanuel; Bernard, Maxime; Parizel, Nathalie; Selmeczi, Katalin; Joly, Jean-Pierre","Click synthesis of symmetric bis-triazol ligands and full characterisation of their copper(ii)-complexes","New Journal of Chemistry","2014","38","1","419","","10.1039/c3nj00570d","","","0.71073","MoKα","","0.0508","0.0465","","","0.1239","0.1365","","","","","","1.192","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7054000","9.1849","0.0015","9.2931","0.0008","11.8913","0.0012","98.876","0.004","108.784","0.005","105.48","0.006","893.4","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","[CuL1](ClO4)2","","","- C32 H44 Cl2 Cu N8 O12 -","- C32 H44 Cl2 Cu N8 O12 -","- C32 H44 Cl2 Cu N8 O12 -","1","0.5","","Benkhellat, Zakia; Allali, Mustapha; Beley, Marc; Wenger, Emmanuel; Bernard, Maxime; Parizel, Nathalie; Selmeczi, Katalin; Joly, Jean-Pierre","Click synthesis of symmetric bis-triazol ligands and full characterisation of their copper(ii)-complexes","New Journal of Chemistry","2014","38","1","419","","10.1039/c3nj00570d","","","0.71073","MoKα","","0.0286","0.0265","","","0.0684","0.0696","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054001","10.9","0.004","11.582","0.003","16.395","0.003","71.824","0.011","79.864","0.015","68.647","0.012","1826.9","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 Cl2 N8 O14 -","- C30 H46 Cl2 N8 O14 -","- C60 H92 Cl4 N16 O28 -","2","1","","Benkhellat, Zakia; Allali, Mustapha; Beley, Marc; Wenger, Emmanuel; Bernard, Maxime; Parizel, Nathalie; Selmeczi, Katalin; Joly, Jean-Pierre","Click synthesis of symmetric bis-triazol ligands and full characterisation of their copper(ii)-complexes","New Journal of Chemistry","2014","38","1","419","","10.1039/c3nj00570d","","","0.71073","MoKα","","0.0968","0.0706","","","0.1638","0.1779","","","","","","1.118","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054002","6.9499","0.0005","9.4914","0.0007","13.2856","0.0011","104.262","0.007","91.624","0.006","100.777","0.006","831.83","0.12","132","2","132","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H19 F N2 O3 -","- C20 H19 F N2 O3 -","- C40 H38 F2 N4 O6 -","2","1","","Maldonado-Domínguez, Mauricio; Arcos-Ramos, Rafael; Romero, Margarita; Flores-Pérez, Blas; Farfán, Norberto; Santillan, Rosa; Lacroix, Pascal G.; Malfant, Isabelle","The amide bridge in donor‒acceptor systems: delocalization depends on push‒pull stress","New Journal of Chemistry","2014","38","1","260","","10.1039/c3nj01176c","","x-ray","0.71073","MoKα","","0.0896","0.0493","","","0.1178","0.132","","","","","","0.933","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054003","8.4489","0.0004","8.9514","0.0004","12.9033","0.0007","92.3649","0.003","104.602","0.0025","92.5782","0.003","942","0.08","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","Compound X","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C44 H44 N4 O10 -","2","1","","Maldonado-Domínguez, Mauricio; Arcos-Ramos, Rafael; Romero, Margarita; Flores-Pérez, Blas; Farfán, Norberto; Santillan, Rosa; Lacroix, Pascal G.; Malfant, Isabelle","The amide bridge in donor‒acceptor systems: delocalization depends on push‒pull stress","New Journal of Chemistry","2014","38","1","260","","10.1039/c3nj01176c","","x-ray","0.71073","MoKα","","0.0702","0.049","","","0.1162","0.1302","","","","","","1.041","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054004","6.9026","0.0002","7.3751","0.0002","19.537","0.00059","81.8816","0.0018","82.0634","0.0018","65.3173","0.0018","891.18","0.05","298","2","298","2","","","","","","","synthesis as described","4","P -1","-P 1","2","Compound X","","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C42 H38 N6 O6 -","2","1","","Maldonado-Domínguez, Mauricio; Arcos-Ramos, Rafael; Romero, Margarita; Flores-Pérez, Blas; Farfán, Norberto; Santillan, Rosa; Lacroix, Pascal G.; Malfant, Isabelle","The amide bridge in donor‒acceptor systems: delocalization depends on push‒pull stress","New Journal of Chemistry","2014","38","1","260","","10.1039/c3nj01176c","","x-ray","0.71073","MoKα","","0.0975","0.0685","","","0.1597","0.1789","","","","","","1.075","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054005","4.9427","0.0002","12.5574","0.0004","14.6612","0.0005","98.169","0.0021","99.3016","0.0019","92.6732","0.0019","886.65","0.06","298","2","298","2","","","","","","","synthesis as described","4","P -1","-P 1","2","Compound X","","","- C20 H19 N3 O5 -","- C20 H19 N3 O5 -","- C40 H38 N6 O10 -","2","1","","Maldonado-Domínguez, Mauricio; Arcos-Ramos, Rafael; Romero, Margarita; Flores-Pérez, Blas; Farfán, Norberto; Santillan, Rosa; Lacroix, Pascal G.; Malfant, Isabelle","The amide bridge in donor‒acceptor systems: delocalization depends on push‒pull stress","New Journal of Chemistry","2014","38","1","260","","10.1039/c3nj01176c","","x-ray","0.71073","MoKα","","0.0658","0.0482","","","0.1198","0.1323","","","","","","1.045","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054006","14.1051","0.0013","15.3365","0.0013","17.8162","0.0015","89.985","0.004","86.89","0.004","89.747","0.004","3848.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H58 Ce5 N4 O34 -","- C72 H58 Ce5 N4 O34 -","- C144 H116 Ce10 N8 O68 -","2","1","","D'Arras, Loïc; Sassoye, Capucine; Rozes, Laurence; Sanchez, Clément; Marrot, Jérôme; Marre, Samuel; Aymonier, Cyril","Fast and continuous processing of a new sub-micronic lanthanide-based metal‒organic framework","New Journal of Chemistry","2014","38","4","1477","","10.1039/c3nj01371e","","","0.71073","MoKα","","0.1738","0.16","","","0.3717","0.3781","","","","","","1.178","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054007","11.9767","0.0008","5.9302","0.0004","16.1269","0.001","90","","96.635","0.002","90","","1137.73","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","","Madhuprasad,; Swathi, N.; Manjunatha, J. R.; Das, Uttam Kumar; Shetty, A. Nityananda; Trivedi, Darshak R.","Dual colorimetric receptor with logic gate operations: anion induced solvatochromism","New Journal of Chemistry","2014","38","4","1484","","10.1039/c3nj01229h","","","0.71073","MoKα","","0.0577","0.0523","","","0.1314","0.1485","","","","","","1.113","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054008","14.648","0.0002","10.8265","0.0002","14.7278","0.0002","90","","101.94","0.001","90","","2285.1","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","2","","Madhuprasad,; Swathi, N.; Manjunatha, J. R.; Das, Uttam Kumar; Shetty, A. Nityananda; Trivedi, Darshak R.","Dual colorimetric receptor with logic gate operations: anion induced solvatochromism","New Journal of Chemistry","2014","38","4","1484","","10.1039/c3nj01229h","","","0.71073","MoKα","","0.1054","0.0685","","","0.144","0.158","","","","","","1.099","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054009","17.158","0.003","17.158","0.003","15.91","0.005","90","","90","","90","","4683.9","1.9","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H48 Co N12 O8 -","- C48 H48 Co N12 O8 -","- C192 H192 Co4 N48 O32 -","4","0.25","","Dey, Soumyajit; Ikbal, Sk Asif; Rath, Sankar Prasad","Self-assembly of cobalt(ii) and zinc(ii) tetranitrooctaethylporphyrin via bidentate axial ligands: synthesis, structure, surface morphology and effect of axial coordination","New Journal of Chemistry","2014","38","4","1458","","10.1039/c3nj01248d","","","0.71073","MoKα","","0.0771","0.0577","","","0.1446","0.1615","","","","","","1.047","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054010","12.274","0.005","13.707","0.005","18.913","0.005","107.964","0.005","104.161","0.005","98.063","0.005","2853.4","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H49.5 Cl4.5 Co N12 O8 -","- C46 H48 Co N12 O8 -","- C92 H96 Co2 N24 O16 -","2","1","","Dey, Soumyajit; Ikbal, Sk Asif; Rath, Sankar Prasad","Self-assembly of cobalt(ii) and zinc(ii) tetranitrooctaethylporphyrin via bidentate axial ligands: synthesis, structure, surface morphology and effect of axial coordination","New Journal of Chemistry","2014","38","4","1458","","10.1039/c3nj01248d","","","0.71069","MoKα","","0.1188","0.0815","","","0.2135","0.24","","","","","","0.939","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054011","12.924","0.003","13.663","0.003","13.678","0.003","69.774","0.004","66.261","0.004","85.852","0.004","2068.3","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H90 N20 O16 Zn2 -","- C84 H90 N20 O16 Zn2 -","- C84 H90 N20 O16 Zn2 -","1","0.5","","Dey, Soumyajit; Ikbal, Sk Asif; Rath, Sankar Prasad","Self-assembly of cobalt(ii) and zinc(ii) tetranitrooctaethylporphyrin via bidentate axial ligands: synthesis, structure, surface morphology and effect of axial coordination","New Journal of Chemistry","2014","38","4","1458","","10.1039/c3nj01248d","","","0.71073","MoKα","","0.0799","0.0676","","","0.1885","0.1974","","","","","","1.065","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054012","13.9272","0.0019","37.718","0.005","11.317","0.0015","90","","110.296","0.002","90","","5575.8","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C99.6 H121.2 N20 O16 Zn2 -","- C84 H90 N20 O16 Zn2 -","- C168 H180 N40 O32 Zn4 -","2","0.5","","Dey, Soumyajit; Ikbal, Sk Asif; Rath, Sankar Prasad","Self-assembly of cobalt(ii) and zinc(ii) tetranitrooctaethylporphyrin via bidentate axial ligands: synthesis, structure, surface morphology and effect of axial coordination","New Journal of Chemistry","2014","38","4","1458","","10.1039/c3nj01248d","","","0.71073","MoKα","","0.0794","0.0524","","","0.1231","0.1334","","","","","","0.916","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054013","11.3631","0.0011","33.868","0.003","26.769","0.003","90","","101.816","0.002","90","","10083.6","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H92 Cl12 N20 O16 Zn2 -","- C82 H88 N20 O16 Zn2 -","- C328 H352 N80 O64 Zn8 -","4","1","","Dey, Soumyajit; Ikbal, Sk Asif; Rath, Sankar Prasad","Self-assembly of cobalt(ii) and zinc(ii) tetranitrooctaethylporphyrin via bidentate axial ligands: synthesis, structure, surface morphology and effect of axial coordination","New Journal of Chemistry","2014","38","4","1458","","10.1039/c3nj01248d","","","0.71073","MoKα","","0.1004","0.073","","","0.1836","0.202","","","","","","0.969","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054014","5.9624","0.0002","13.0786","0.0007","19.7678","0.001","92.174","0.004","95.89","0.004","90.352","0.004","1532.17","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H26 Fe2 -","- C36 H26 Fe2 -","- C72 H52 Fe4 -","2","1","","Misra, Rajneesh; Maragani, Ramesh; Jadhav, Thaksen; Mobin, Shaikh M.","Ferrocenyl end capped molecular rods: synthesis, structure, and properties","New Journal of Chemistry","2014","38","4","1446","","10.1039/c3nj01244a","","","0.71073","MoKα","","0.0441","0.0349","","","0.0904","0.0953","","","","","","1.061","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054015","14.6452","0.0003","10.2825","0.0002","14.8003","0.0003","90","","111.902","0.002","90","","2067.9","0.08","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Fe2 -","- C28 H22 Fe2 -","- C112 H88 Fe8 -","4","1","","Misra, Rajneesh; Maragani, Ramesh; Jadhav, Thaksen; Mobin, Shaikh M.","Ferrocenyl end capped molecular rods: synthesis, structure, and properties","New Journal of Chemistry","2014","38","4","1446","","10.1039/c3nj01244a","","","0.71073","MoKα","","0.0647","0.0587","","","0.1534","0.1592","","","","","","1.055","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054016","10.1907","0.0012","7.5711","0.0003","20.759","0.003","90","","126.477","0.019","90","","1287.9","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Fe2 -","- C34 H26 Fe2 -","- C68 H52 Fe4 -","2","0.5","","Misra, Rajneesh; Maragani, Ramesh; Jadhav, Thaksen; Mobin, Shaikh M.","Ferrocenyl end capped molecular rods: synthesis, structure, and properties","New Journal of Chemistry","2014","38","4","1446","","10.1039/c3nj01244a","","","0.71073","MoKα","","0.1058","0.0987","","","0.2776","0.2822","","","","","","1.105","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054017","11.0972","0.0004","13.1305","0.0003","13.4256","0.0004","90","","112.67","0.004","90","","1805.13","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Fe Si -","- C21 H22 Fe Si -","- C84 H88 Fe4 Si4 -","4","1","","Misra, Rajneesh; Maragani, Ramesh; Jadhav, Thaksen; Mobin, Shaikh M.","Ferrocenyl end capped molecular rods: synthesis, structure, and properties","New Journal of Chemistry","2014","38","4","1446","","10.1039/c3nj01244a","","","0.71073","MoKα","","0.0366","0.0327","","","0.0803","0.0841","","","","","","1.029","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054018","10.2384","0.0003","10.6457","0.0004","14.4194","0.0005","88.562","0.003","78.624","0.003","69.948","0.003","1445.82","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 Fe I -","- C18 H13 Fe I -","- C72 H52 Fe4 I4 -","4","2","","Misra, Rajneesh; Maragani, Ramesh; Jadhav, Thaksen; Mobin, Shaikh M.","Ferrocenyl end capped molecular rods: synthesis, structure, and properties","New Journal of Chemistry","2014","38","4","1446","","10.1039/c3nj01244a","","","0.71073","MoKα","","0.019","0.0178","","","0.0443","0.0452","","","","","","1.032","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054019","9.3382","0.0004","27.1749","0.0012","12.0639","0.0005","90","","102.556","0.002","90","","2988.2","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H36 N4 O4 -","- C35 H36 N4 O4 -","- C140 H144 N16 O16 -","4","2","","Dhara, Anamika; Jana, Atanu; Guchhait, Nikhil; Ghosh, Prasanta; Kar, Susanta K.","Rhodamine-based molecular clips for highly selective recognition of Al3+ ions: synthesis, crystal structure and spectroscopic properties","New Journal of Chemistry","2014","38","4","1627","","10.1039/c3nj01447a","","","0.71073","MoKα","","0.1231","0.0775","","","0.2001","0.2308","","","","","","1.121","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054020","8.5694","0.0006","9.3227","0.0004","8.4631","0.0009","90","","92.1","0.009","90","","675.66","0.09","295","0.2","295","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Cu N2 O4 -","- C5 H4 Cu N2 O4 -","- C20 H16 Cu4 N8 O16 -","4","1","","Świtlicka-Olszewska, Anna; Machura, Barbara; Mroziński, Jerzy; Kalińska, Bożena; Kruszynski, Rafał; Penkala, Mateusz","Effect of N-donor ancillary ligands on structural and magnetic properties of oxalate copper(ii) complexes","New Journal of Chemistry","2014","38","4","1611","","10.1039/c3nj01541f","","","0.71073","MoKα","","0.0619","0.0363","","","0.066","0.0714","","","","","","1.02","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054021","9.0343","0.0005","9.2812","0.0006","10.1736","0.0006","63.807","0.006","74.368","0.005","82.407","0.005","737.05","0.09","295","0.2","295","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 Cu N6 O7 -","- C8 H16 Cu N6 O7 -","- C16 H32 Cu2 N12 O14 -","2","1","","Świtlicka-Olszewska, Anna; Machura, Barbara; Mroziński, Jerzy; Kalińska, Bożena; Kruszynski, Rafał; Penkala, Mateusz","Effect of N-donor ancillary ligands on structural and magnetic properties of oxalate copper(ii) complexes","New Journal of Chemistry","2014","38","4","1611","","10.1039/c3nj01541f","","","0.71073","MoKα","","0.0404","0.0325","","","0.0695","0.0725","","","","","","1.056","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054022","19.423","0.0005","8.6184","0.0002","16.8313","0.0005","90","","90","","90","","2817.48","0.13","295","0.2","295","0.2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H16 Cu N6 O5 -","- C10 H16 Cu N6 O5 -","- C80 H128 Cu8 N48 O40 -","8","1","","Świtlicka-Olszewska, Anna; Machura, Barbara; Mroziński, Jerzy; Kalińska, Bożena; Kruszynski, Rafał; Penkala, Mateusz","Effect of N-donor ancillary ligands on structural and magnetic properties of oxalate copper(ii) complexes","New Journal of Chemistry","2014","38","4","1611","","10.1039/c3nj01541f","","","0.71073","MoKα","","0.0401","0.0329","","","0.0858","0.0894","","","","","","1.036","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054023","7.2518","0.0002","8.3493","0.0003","20.456","0.0007","90","","90.762","0.003","90","","1238.45","0.07","295","0.2","295","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cu N4 O4 -","- C10 H12 Cu N4 O4 -","- C40 H48 Cu4 N16 O16 -","4","1","","Świtlicka-Olszewska, Anna; Machura, Barbara; Mroziński, Jerzy; Kalińska, Bożena; Kruszynski, Rafał; Penkala, Mateusz","Effect of N-donor ancillary ligands on structural and magnetic properties of oxalate copper(ii) complexes","New Journal of Chemistry","2014","38","4","1611","","10.1039/c3nj01541f","","","0.71073","MoKα","","0.0316","0.0265","","","0.07","0.0723","","","","","","1.067","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054024","15.979","0.001","11.31","0.0008","8.5968","0.0005","90","","94.62","0.006","90","","1548.59","0.17","295","0.2","295","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cu N4 O4 -","- C16 H12 Cu N4 O4 -","- C64 H48 Cu4 N16 O16 -","4","0.5","","Świtlicka-Olszewska, Anna; Machura, Barbara; Mroziński, Jerzy; Kalińska, Bożena; Kruszynski, Rafał; Penkala, Mateusz","Effect of N-donor ancillary ligands on structural and magnetic properties of oxalate copper(ii) complexes","New Journal of Chemistry","2014","38","4","1611","","10.1039/c3nj01541f","","","0.71073","MoKα","","0.0337","0.0287","","","0.0708","0.0724","","","","","","1.057","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054025","9.1374","0.0006","11.7993","0.0007","12.279","0.0006","87.214","0.004","85.536","0.005","75.414","0.005","1276.73","0.13","295","0.2","295","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 Cu4 N16 O23 -","- C36 H44 Cu4 N16 O23 -","- C36 H44 Cu4 N16 O23 -","1","0.5","","Świtlicka-Olszewska, Anna; Machura, Barbara; Mroziński, Jerzy; Kalińska, Bożena; Kruszynski, Rafał; Penkala, Mateusz","Effect of N-donor ancillary ligands on structural and magnetic properties of oxalate copper(ii) complexes","New Journal of Chemistry","2014","38","4","1611","","10.1039/c3nj01541f","","","0.71073","MoKα","","0.0547","0.0397","","","0.1212","0.1426","","","","","","1.171","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054026","7.1301","0.0003","12.8192","0.0005","21.3279","0.0007","90","","90","","90","","1949.42","0.13","295","0.2","295","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Cu N2 O5 -","- C8 H10 Cu N2 O5 -","- C64 H80 Cu8 N16 O40 -","8","1","","Świtlicka-Olszewska, Anna; Machura, Barbara; Mroziński, Jerzy; Kalińska, Bożena; Kruszynski, Rafał; Penkala, Mateusz","Effect of N-donor ancillary ligands on structural and magnetic properties of oxalate copper(ii) complexes","New Journal of Chemistry","2014","38","4","1611","","10.1039/c3nj01541f","","","0.71073","MoKα","","0.032","0.0261","","","0.0717","0.0735","","","","","","1.087","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054027","7.6832","0.0005","8.848","0.0006","10.4914","0.0007","98.405","0.006","90.733","0.005","101.71","0.006","690.21","0.08","295","0.2","295","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cu3 N4 O16 -","- C20 H28 Cu3 N4 O16 -","- C20 H28 Cu3 N4 O16 -","1","0.5","","Świtlicka-Olszewska, Anna; Machura, Barbara; Mroziński, Jerzy; Kalińska, Bożena; Kruszynski, Rafał; Penkala, Mateusz","Effect of N-donor ancillary ligands on structural and magnetic properties of oxalate copper(ii) complexes","New Journal of Chemistry","2014","38","4","1611","","10.1039/c3nj01541f","","","0.71073","MoKα","","0.0381","0.0315","","","0.0722","0.0761","","","","","","1.053","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054028","12.1604","0.0006","7.1869","0.0004","23.42","0.0015","90","","93.407","0.005","90","","2043.2","0.2","295","0.2","295","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 Cl2 Cu4 N8 O14 -","- C34 H44 Cl2 Cu4 N8 O14 -","- C68 H88 Cl4 Cu8 N16 O28 -","2","0.5","","Świtlicka-Olszewska, Anna; Machura, Barbara; Mroziński, Jerzy; Kalińska, Bożena; Kruszynski, Rafał; Penkala, Mateusz","Effect of N-donor ancillary ligands on structural and magnetic properties of oxalate copper(ii) complexes","New Journal of Chemistry","2014","38","4","1611","","10.1039/c3nj01541f","","","0.71073","MoKα","","0.0487","0.0397","","","0.106","0.109","","","","","","1.18","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054029","11.441","0.0007","11.441","0.0007","81.313","0.006","90","","90","","120","","9217.6","1","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C18 H40 I4 N2 O6.17 Zn -","- C18 H38 I4 N2 O6.15 Zn -","- C216 H456 I48 N24 O73.8 Zn12 -","12","0.333333","","Martí-Rujas, Javier; Cametti, Massimo","Synthesis of a novel hybrid metal‒organic salt and its solid-state transformation","New Journal of Chemistry","2014","38","4","1385","","10.1039/c3nj01400b","","","1.54178","CuKα","","0.0667","0.0617","","","0.1701","0.176","","","","","","1.127","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054030","16.3228","0.0018","16.3228","0.0018","16.3228","0.0018","90","","90","","90","","4348.9","0.8","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C24 H58 I4 N2 O12 Zn4 -","- C24 H56 I4 N2 O12.3 Zn4 -","- C96 H224 I16 N8 O49.2 Zn16 -","4","0.333333","","Martí-Rujas, Javier; Cametti, Massimo","Synthesis of a novel hybrid metal‒organic salt and its solid-state transformation","New Journal of Chemistry","2014","38","4","1385","","10.1039/c3nj01400b","","","1.54178","CuKα","","0.0343","0.0316","","","0.0709","0.0718","","","","","","1.072","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054031","11.06","0.0006","11.06","0.0006","78.221","0.005","90","","90","","120","","8286.4","0.8","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C18 H40 Br4 N2 O7 Zn -","- C18 H38 Br4 N2 O6.5 Zn -","- C216 H456 Br48 N24 O78 Zn12 -","12","0.333333","","Martí-Rujas, Javier; Cametti, Massimo","Synthesis of a novel hybrid metal‒organic salt and its solid-state transformation","New Journal of Chemistry","2014","38","4","1385","","10.1039/c3nj01400b","","","1.54178","CuKα","","0.0384","0.0344","","","0.0998","0.1019","","","","","","1.093","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054032","15.8194","0.0003","7.939","0.0001","16.6596","0.0003","90","","110.723","0.0008","90","","1956.92","0.06","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 B N2 -","- C20 H35 B N2 -","- C80 H140 B4 N8 -","4","1","","Liu, Mengran; Ptaszek, Marcin; Mass, Olga; Minkler, Daniel F.; Sommer, Roger D.; Bhaumik, Jayeeta; Lindsey, Jonathan S.","Regioselective β-pyrrolic electrophilic substitution of hydrodipyrrin‒dialkylboron complexes facilitates access to synthetic models for chlorophyll f","New Journal of Chemistry","2014","38","4","1717","","10.1039/c3nj01508d","","","0.71073","MolybdenumKα","","0.074","0.052","","0.157","0.079","","","","","2.8","2.8","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054033","8.8715","0.0003","26.3874","0.0012","9.8079","0.0004","90","","115.588","0.002","90","","2070.8","0.15","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Br8","","","- C20 H34 B Br N2 -","- C20 H34 B Br N2 -","- C80 H136 B4 Br4 N8 -","4","1","","Liu, Mengran; Ptaszek, Marcin; Mass, Olga; Minkler, Daniel F.; Sommer, Roger D.; Bhaumik, Jayeeta; Lindsey, Jonathan S.","Regioselective β-pyrrolic electrophilic substitution of hydrodipyrrin‒dialkylboron complexes facilitates access to synthetic models for chlorophyll f","New Journal of Chemistry","2014","38","4","1717","","10.1039/c3nj01508d","","","0.71073","MoKα","","0.0771","0.0643","","","0.1296","0.1343","","","","","","1.162","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054034","17.5208","0.0003","16.5255","0.0003","15.1765","0.0003","90","","90","","90","","4394.2","0.14","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H34 B Br N2 O -","- C21 H34 B Br N2 O -","- C168 H272 B8 Br8 N16 O8 -","8","2","","Liu, Mengran; Ptaszek, Marcin; Mass, Olga; Minkler, Daniel F.; Sommer, Roger D.; Bhaumik, Jayeeta; Lindsey, Jonathan S.","Regioselective β-pyrrolic electrophilic substitution of hydrodipyrrin‒dialkylboron complexes facilitates access to synthetic models for chlorophyll f","New Journal of Chemistry","2014","38","4","1717","","10.1039/c3nj01508d","","","0.71073","","","0.0496","0.0455","","","","0.1119","","","","","","1.0686","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054035","9.077","0.002","16.466","0.006","18.163","0.006","90","","109.714","0.008","90","","2555.6","1.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 B N2 -","- C27 H39 B N2 -","- C108 H156 B4 N8 -","4","1","","Liu, Mengran; Ptaszek, Marcin; Mass, Olga; Minkler, Daniel F.; Sommer, Roger D.; Bhaumik, Jayeeta; Lindsey, Jonathan S.","Regioselective β-pyrrolic electrophilic substitution of hydrodipyrrin‒dialkylboron complexes facilitates access to synthetic models for chlorophyll f","New Journal of Chemistry","2014","38","4","1717","","10.1039/c3nj01508d","","","0.71073","MoKα","","0.1097","0.0696","","","0.191","0.222","","","","","","1.058","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054036","10.519","0.0006","10.7555","0.0006","14.847","0.0009","90","","90.532","0.001","90","","1679.67","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl N2 Rh -","- C18 H20 Cl N2 Rh -","- C72 H80 Cl4 N8 Rh4 -","4","1","","Cassani, Maria Cristina; Brucka, Marta Anna; Femoni, Cristina; Mancinelli, Michele; Mazzanti, Andrea; Mazzoni, Rita; Solinas, Gavino","N-Heterocyclic carbene rhodium(i) complexes containing an axis of chirality: dynamics and catalysis","New Journal of Chemistry","2014","38","4","1768","","10.1039/c3nj01620j","","","0.71073","MoKα","","0.0445","0.0319","","","0.0803","0.0883","","","","","","1.051","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054037","11.3295","0.0006","10.5864","0.0006","18.0379","0.0009","90","","106.826","0.001","90","","2070.82","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cl N2 Rh -","- C24 H24 Cl N2 Rh -","- C96 H96 Cl4 N8 Rh4 -","4","1","","Cassani, Maria Cristina; Brucka, Marta Anna; Femoni, Cristina; Mancinelli, Michele; Mazzanti, Andrea; Mazzoni, Rita; Solinas, Gavino","N-Heterocyclic carbene rhodium(i) complexes containing an axis of chirality: dynamics and catalysis","New Journal of Chemistry","2014","38","4","1768","","10.1039/c3nj01620j","","","0.71073","MoKα","","0.0261","0.0218","","","0.0536","0.0561","","","","","","1.044","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054038","12.6116","0.0005","13.0839","0.0006","20.257","0.0014","80.833","0.006","77.449","0.006","80.043","0.006","3187.7","0.3","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C67.7 H53.4 B Cl5.4 F2 I N4 S2 -","- C65 H48 B F2 I N4 S2 -","- C130 H96 B2 F4 I2 N8 S4 -","2","1","","Sutter, Alexandra; Retailleau, Pascal; Huang, Wei-Ching; Lin, Hao-Wu; Ziessel, Raymond","Photovoltaic performance of novel push‒pull‒push thienyl‒Bodipy dyes in solution-processed BHJ-solar cells","New Journal of Chemistry","2014","38","4","1701","","10.1039/c3nj01436c","","","1.54187","CuKα","","0.0889","0.0593","","","0.1682","0.2094","","","","","","1.188","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054039","15.634","0.005","4.72","0.002","19.585","0.005","90","","91.229","0.005","90","","1444.9","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","","Parveen, Mehtab; Malla, Ali Mohammed; Alam, Mahboob; Ahmad, Musheer; Rafiq, Shahnawaz","Stereoselective synthesis of Z-acrylonitrile derivatives: catalytic and acetylcholinesterase inhibition studies","New Journal of Chemistry","2014","38","4","1655","","10.1039/c3nj01384g","","","0.71073","MoKα","","0.0633","0.0494","","","0.1345","0.1712","","","","","","1.129","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054040","22.4667","0.001","22.4667","0.001","14.6274","0.0007","90","","90","","90","","7383.2","0.6","150","2","150","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C96 H188 Cl4 Mn10 O44 P4 -","- C96 H188 Cl4 Mn10 O44 P4 -","- C192 H376 Cl8 Mn20 O88 P8 -","2","0.125","","Burkovskaya, Nataliya; Aleksandrov, Grigory; Ugolkova, Elena; Efimov, Nikolay; Evstifeev, Igor; Kiskin, Mikhail; Dobrokhotova, Zhanna; Minin, Vadim; Eremenko, Igor","Self-assembly and decay of Mn(ii) pivalate‒phosphonate complexes","New Journal of Chemistry","2014","38","4","1587","","10.1039/c3nj00899a","","","0.71073","MoKα","","0.035","0.0264","","","0.0712","0.0851","","","","","","1.086","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054041","20.0158","0.001","20.4213","0.001","20.6563","0.001","86.2682","0.0007","68.5806","0.0007","62.3876","0.0007","6909.1","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C164 H354 Cl2 Mn20 O88 P12 -","- C164 H328 Cl2 Mn20 O88 P12 -","- C164 H328 Cl2 Mn20 O88 P12 -","1","0.5","","Burkovskaya, Nataliya; Aleksandrov, Grigory; Ugolkova, Elena; Efimov, Nikolay; Evstifeev, Igor; Kiskin, Mikhail; Dobrokhotova, Zhanna; Minin, Vadim; Eremenko, Igor","Self-assembly and decay of Mn(ii) pivalate‒phosphonate complexes","New Journal of Chemistry","2014","38","4","1587","","10.1039/c3nj00899a","","","0.71073","MoKα","","0.121","0.0619","","","0.1631","0.2075","","","","","","1.011","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054042","27.413","0.017","17.073","0.011","26.29","0.016","90","","108.213","0.01","90","","11688","13","184","2","184","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H156 Mn4 O36 P4 -","- C76 H156 Mn4 O36 P4 -","- C304 H624 Mn16 O144 P16 -","4","0.5","","Burkovskaya, Nataliya; Aleksandrov, Grigory; Ugolkova, Elena; Efimov, Nikolay; Evstifeev, Igor; Kiskin, Mikhail; Dobrokhotova, Zhanna; Minin, Vadim; Eremenko, Igor","Self-assembly and decay of Mn(ii) pivalate‒phosphonate complexes","New Journal of Chemistry","2014","38","4","1587","","10.1039/c3nj00899a","","","0.71073","MoKα","","0.2036","0.1148","","","0.2744","0.2985","","","","","","1.401","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054043","16.2519","0.0015","16.2519","0.0015","25.431","0.005","90","","90","","120","","5817","1.4","120","2","120","2","","","","","","","","5","P -3","-P 3","147","","","","- C76 H156 Mn4 O36 P4 -","- C76 H156 Mn4 O36 P4 -","- C152 H312 Mn8 O72 P8 -","2","0.333333","","Burkovskaya, Nataliya; Aleksandrov, Grigory; Ugolkova, Elena; Efimov, Nikolay; Evstifeev, Igor; Kiskin, Mikhail; Dobrokhotova, Zhanna; Minin, Vadim; Eremenko, Igor","Self-assembly and decay of Mn(ii) pivalate‒phosphonate complexes","New Journal of Chemistry","2014","38","4","1587","","10.1039/c3nj00899a","","","0.71073","MoKα","","0.1827","0.0842","","","0.2364","0.2927","","","","","","1.321","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054044","9.6409","0.0002","9.7269","0.0002","13.3073","0.0002","74.438","0.001","81.178","0.001","80.181","0.001","1176.91","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Pyridoxal phenylene molybdenum complex","","","- C18 H28 Mo N3 O8.5 S2 -","- C18 H28 Mo N3 O8.5 S2 -","- C36 H56 Mo2 N6 O17 S4 -","2","1","","Pereira, Mateus Brum; Kopp, Cristiéli R.; Fontana, Liniquer A.; de Oliveira, Gelson Manzoni; Back, Davi Fernando; Piquini, Paulo C.; Villetti, Marcos A.","Synthesis, X-ray structural features, DFT calculations and fluorescence studies of a new pyridoxal-benzimidazole ligand and its respective molybdenum complex","New Journal of Chemistry","2014","38","7","3092","","10.1039/c4nj00259h","","","0.71073","MoKα","","0.0813","0.0523","","","0.1222","0.1388","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054045","10.8031","0.0013","4.9069","0.0006","24.726","0.003","90","","100.434","0.008","90","","1289","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","pyridoxal imidazol salt","4-(1H-benzo imidazol-2-yl)-5-(hydroxymethyl)-2-methylpyridin-3-ol chloride salt","","- C14 H14 Cl N3 O2 -","- C14 H14 Cl N3 O2 -","- C56 H56 Cl4 N12 O8 -","4","1","","Pereira, Mateus Brum; Kopp, Cristiéli R.; Fontana, Liniquer A.; de Oliveira, Gelson Manzoni; Back, Davi Fernando; Piquini, Paulo C.; Villetti, Marcos A.","Synthesis, X-ray structural features, DFT calculations and fluorescence studies of a new pyridoxal-benzimidazole ligand and its respective molybdenum complex","New Journal of Chemistry","2014","38","7","3092","","10.1039/c4nj00259h","","","0.71073","MoKα","","0.1441","0.0488","","","0.094","0.1222","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054046","10.599","0.005","31.295","0.005","15.997","0.005","90","","101.404","0.005","90","","5201","3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Fe12i(C8)(dmap)2]","","","- C49.5 H76 Fe N6 O9.5 -","- C49.5 H76 Fe N6 O9.5 -","- C198 H304 Fe4 N24 O38 -","4","1","","Schlamp, Stephan; Dankhoff, Katja; Weber, Birgit","Amphiphilic iron(ii) complexes with short alkyl chains ‒ crystal packing and spin transition properties","New Journal of Chemistry","2014","38","5","1965","","10.1039/c3nj00991b","","","0.71069","MoKα","","0.1626","0.0852","","","0.2167","0.2514","","","","","","0.931","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054047","11.9872","0.0007","12.538","0.0008","14.6613","0.001","95.394","0.005","102.327","0.005","106.231","0.005","2039","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H60 Fe N4 O8 -","- C41 H60 Fe N4 O8 -","- C82 H120 Fe2 N8 O16 -","2","1","","Schlamp, Stephan; Dankhoff, Katja; Weber, Birgit","Amphiphilic iron(ii) complexes with short alkyl chains ‒ crystal packing and spin transition properties","New Journal of Chemistry","2014","38","5","1965","","10.1039/c3nj00991b","","","0.71069","MoKα","","0.1335","0.0632","","","0.1177","0.138","","","","","","0.877","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054048","11.9287","0.0005","13.1406","0.0005","17.0569","0.0007","103.154","0.003","100.508","0.003","100.246","0.003","2491.76","0.18","133","2","133","2","","","","","","","","5","P -1","-P 1","2","Fe12i(C8)(dmap)2","","","- C49 H74 Fe N6 O9 -","- C49 H74 Fe N6 O9 -","- C98 H148 Fe2 N12 O18 -","2","1","","Schlamp, Stephan; Dankhoff, Katja; Weber, Birgit","Amphiphilic iron(ii) complexes with short alkyl chains ‒ crystal packing and spin transition properties","New Journal of Chemistry","2014","38","5","1965","","10.1039/c3nj00991b","","","0.71073","MoKα","","0.0531","0.0384","","","0.0933","0.0975","","","","","","0.93","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054049","12.0361","0.0008","13.4241","0.001","17.3275","0.0013","103.289","0.006","101.608","0.006","99.935","0.006","2597.7","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","[Fe12i(C8)(dmap)2]","","","- C49 H74 Fe N6 O9 -","- C49 H74 Fe N6 O9 -","- C98 H148 Fe2 N12 O18 -","2","1","","Schlamp, Stephan; Dankhoff, Katja; Weber, Birgit","Amphiphilic iron(ii) complexes with short alkyl chains ‒ crystal packing and spin transition properties","New Journal of Chemistry","2014","38","5","1965","","10.1039/c3nj00991b","","","0.71073","MoKα","","0.1055","0.066","","","0.1596","0.1737","","","","","","0.868","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054050","19.8161","0.0009","8.2415","0.0004","25.5905","0.0011","90","","98.224","0.003","90","","4136.3","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Fe12i(C8)(dmap)]","","","- C41 H60 Fe N4 O8 -","- C41 H60 Fe N4 O8 -","- C164 H240 Fe4 N16 O32 -","4","1","","Schlamp, Stephan; Dankhoff, Katja; Weber, Birgit","Amphiphilic iron(ii) complexes with short alkyl chains ‒ crystal packing and spin transition properties","New Journal of Chemistry","2014","38","5","1965","","10.1039/c3nj00991b","","","0.71069","MoKα","","0.1147","0.1008","","","0.2535","0.2606","","","","","","1.125","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054051","15.2194","0.0018","11.4434","0.0018","19.218","0.003","90","","90.342","0.004","90","","3347","0.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H52 Cu2 Mo N16 O5 -","- C72 H52 Cu2 Mo N16 O5 -","- C144 H104 Cu4 Mo2 N32 O10 -","2","0.5","","Shiga, Takuya; Takeo, Mayumi; Iijima, Fumichika; Newton, Graham N.; Oshio, Hiroki","Syntheses, structures and magnetic properties of two-dimensional chiral coordination polymers based on a tetradentate chiral ligand","New Journal of Chemistry","2014","38","5","1946","","10.1039/c3nj01128c","","","0.71073","MoKα","","0.0925","0.0564","","","0.1061","0.1395","","","","","","0.856","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054052","14.943","0.007","11.568","0.007","19.366","0.01","90","","90.045","0.019","90","","3348","3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H52 Co2 Mo N16 O5 -","- C72 H52 Co2 Mo N16 O5 -","- C144 H104 Co4 Mo2 N32 O10 -","2","0.5","","Shiga, Takuya; Takeo, Mayumi; Iijima, Fumichika; Newton, Graham N.; Oshio, Hiroki","Syntheses, structures and magnetic properties of two-dimensional chiral coordination polymers based on a tetradentate chiral ligand","New Journal of Chemistry","2014","38","5","1946","","10.1039/c3nj01128c","","","0.71073","MoKα","","0.245","0.0782","","","0.1442","0.2482","","","","","","0.691","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054053","21.66396","0.00016","23.9589","0.00014","18.11334","0.00012","90","","90","","90","","9401.63","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C87.5 H81.5 N8.5 O26.5 Zn7 -","- C80 H60 N6 O22 Zn7 -","- C320 H240 N24 O88 Zn28 -","4","0.5","","Chen, Kai-Jie; He, Chun-Ting; Liao, Pei-Qin; Wei, Yong-Sheng; Zhang, Peng-Xiang; Xue, Wei; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible, porous, cluster-based Zn-pyrazolate-dicarboxylate framework showing selective adsorption properties","New Journal of Chemistry","2014","38","5","2002","","10.1039/c3nj00918a","","","1.54178","CuKα","","0.0358","0.0325","","","0.0995","0.1026","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054054","21.9889","0.0003","24.0194","0.0002","18.0882","0.0002","90","","90","","90","","9553.47","0.19","300","2","300","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C87.5 H81.5 N8.5 O26.5 Zn7 -","- C80 H60 N6 O22 Zn7 -","- C320 H240 N24 O88 Zn28 -","4","","","Chen, Kai-Jie; He, Chun-Ting; Liao, Pei-Qin; Wei, Yong-Sheng; Zhang, Peng-Xiang; Xue, Wei; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible, porous, cluster-based Zn-pyrazolate-dicarboxylate framework showing selective adsorption properties","New Journal of Chemistry","2014","38","5","2002","","10.1039/c3nj00918a","","","1.54178","CuKα","","0.0345","0.0334","","","0.1045","0.1058","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054055","7.15364","0.00018","7.3059","0.0002","19.467","0.0005","91.284","0.002","90.918","0.002","102.456","0.002","992.99","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 S6 -","- C18 H18 N2 S6 -","- C36 H36 N4 S12 -","2","1","","Geng, Yan; Fiolka, Christoph; Krämer, Karl; Hauser, Jürg; Laukhin, Vladimir; Decurtins, Silvio; Liu, Shi-Xia","A quinoxaline-fused tetrathiafulvalene derivative and its semiconducting charge-transfer salt: synthesis, crystal structures and physical properties","New Journal of Chemistry","2014","38","5","2052","","10.1039/c3nj01200j","","","0.71073","MoKα","","0.0331","0.0274","","","0.0666","0.0702","","","","","","1.046","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054056","7.59591","0.00008","11.61481","0.00013","25.9543","0.0003","83.0995","0.001","84.6415","0.0009","89.8152","0.0009","2263.22","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 I3 N4 S12 -","- C36 H36 I3 N4 S12 -","- C72 H72 I6 N8 S24 -","2","1","","Geng, Yan; Fiolka, Christoph; Krämer, Karl; Hauser, Jürg; Laukhin, Vladimir; Decurtins, Silvio; Liu, Shi-Xia","A quinoxaline-fused tetrathiafulvalene derivative and its semiconducting charge-transfer salt: synthesis, crystal structures and physical properties","New Journal of Chemistry","2014","38","5","2052","","10.1039/c3nj01200j","","","0.71073","MoKα","","0.0362","0.0297","","","0.062","0.0661","","","","","","1.165","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054057","17.1614","0.0006","17.3252","0.0006","24.4236","0.0007","70.309","0.003","79.499","0.003","77.344","0.003","6624.3","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C173 H236 Cl4 Fe12 N92 O35 S20 -","- C173 H192 Cl4 Fe12 N92 O35 S20 -","- C173 H192 Cl4 Fe12 N92 O35 S20 -","1","0.5","","Abhervé, Alexandre; Clemente-Juan, Juan Modesto; Clemente-León, Miguel; Coronado, Eugenio; Boonmak, Jaursup; Youngme, Sujittra","Tuning the nuclearity of iron(iii) polynuclear clusters by using tetradentate Schiff-base ligands","New Journal of Chemistry","2014","38","5","2105","","10.1039/c3nj01516e","","","0.71073","MoKα","","0.1937","0.0968","","","0.2427","0.3045","","","","","","1.051","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054058","20.2912","0.0006","11.7876","0.0005","22.1837","0.0006","90","","98.084","0.003","90","","5253.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Fe4 N15.5 O7.7 S7 -","- C36 H28 Fe4 N15.5 O7.7 S7 -","- C144 H112 Fe16 N62 O30.8 S28 -","4","1","","Abhervé, Alexandre; Clemente-Juan, Juan Modesto; Clemente-León, Miguel; Coronado, Eugenio; Boonmak, Jaursup; Youngme, Sujittra","Tuning the nuclearity of iron(iii) polynuclear clusters by using tetradentate Schiff-base ligands","New Journal of Chemistry","2014","38","5","2105","","10.1039/c3nj01516e","","","0.71073","MoKα","","0.098","0.066","","","0.159","0.1816","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054059","15.5153","0.0004","25.855","0.0009","26.6761","0.0011","90","","90","","90","","10701.1","0.6","120","2","120","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C69 H86 Fe6 N48 O25 S6 -","- C69 H72 Fe6 N48 O25 S6 -","- C276 H288 Fe24 N192 O100 S24 -","4","0.5","","Abhervé, Alexandre; Clemente-Juan, Juan Modesto; Clemente-León, Miguel; Coronado, Eugenio; Boonmak, Jaursup; Youngme, Sujittra","Tuning the nuclearity of iron(iii) polynuclear clusters by using tetradentate Schiff-base ligands","New Journal of Chemistry","2014","38","5","2105","","10.1039/c3nj01516e","","","0.7107","MoKα","","0.1775","0.0826","","","0.1889","0.2527","","","","","","1.027","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054060","45.2573","0.0013","27.5089","0.0006","28.4547","0.0009","90","","119.372","0.004","90","","30871.7","1.9","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C93.5 H142 F3 Fe6.5 N46.5 O15 S10.5 -","- C84.5 H96 F3 Fe6.5 N46.5 O5 S10.5 -","- C676 H768 F24 Fe52 N372 O40 S84 -","8","1","","Abhervé, Alexandre; Clemente-Juan, Juan Modesto; Clemente-León, Miguel; Coronado, Eugenio; Boonmak, Jaursup; Youngme, Sujittra","Tuning the nuclearity of iron(iii) polynuclear clusters by using tetradentate Schiff-base ligands","New Journal of Chemistry","2014","38","5","2105","","10.1039/c3nj01516e","","","0.71073","MoKα","","0.1799","0.1149","","","0.3198","0.3644","","","","","","1.081","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054061","28.5279","0.0003","28.5279","0.0003","41.3731","0.0006","90","","90","","90","","33671.1","0.7","120","2","120","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C91 H108 Cl5 Fe8 N59 O30 S11 -","- C91 H96 Cl5 Fe8 N59 O30 S11 -","- C728 H768 Cl40 Fe64 N472 O240 S88 -","8","0.5","","Abhervé, Alexandre; Clemente-Juan, Juan Modesto; Clemente-León, Miguel; Coronado, Eugenio; Boonmak, Jaursup; Youngme, Sujittra","Tuning the nuclearity of iron(iii) polynuclear clusters by using tetradentate Schiff-base ligands","New Journal of Chemistry","2014","38","5","2105","","10.1039/c3nj01516e","","","0.71073","MoKα","","0.2154","0.1109","","","0.2758","0.347","","","","","","1.01","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054062","7.603","0.004","14.991","0.006","20.824","0.01","91.37","0.04","98.31","0.04","90.64","0.02","2347.6","1.9","293","","293","","","","","","","","","5","P -1","-P 1","2","CoW4mepyprm","","","- C36 Co3 N22 O6 W2 -","- C36 Co3 N22 O6 W2 -","- C72 Co6 N44 O12 W4 -","2","1","","Ozaki, Noriaki; Tokoro, Hiroko; Miyamoto, Yasuto; Ohkoshi, Shin-ichi","Humidity dependency of the thermal phase transition of a cyano bridged Co‒W bimetal assembly","New Journal of Chemistry","2014","38","5","1950","","10.1039/c3nj01656k","powder diffraction","","1.54059","CuKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054063","23.156","0.001","8.0465","0.0003","26.901","0.001","90","","90","","90","","5012.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 F6 N8 O6 S2 -","- C18 H18 F6 N8 O6 S2 -","- C144 H144 F48 N64 O48 S16 -","8","1","","Aguiló, Joan; Naeimi, Atena; Bofill, Roger; Mueller-Bunz, Helge; Llobet, Antoni; Escriche, Lluís; Sala, Xavier; Albrecht, Martin","Dinuclear ruthenium complexes containing a new ditopic phthalazin-bis(triazole) ligand that promotes metal‒metal interactions","New Journal of Chemistry","2014","38","5","1980","","10.1039/c3nj01209c","","","0.71073","MoKα","","0.0918","0.087","","","0.164","0.1661","","","","","","1.194","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054064","16.5447","0.0006","6.8596","0.0003","19.1037","0.0008","90","","102.175","0.004","90","","2119.31","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl3 I N8 -","- C16 H16 Cl3 I N8 -","- C64 H64 Cl12 I4 N32 -","4","1","","Aguiló, Joan; Naeimi, Atena; Bofill, Roger; Mueller-Bunz, Helge; Llobet, Antoni; Escriche, Lluís; Sala, Xavier; Albrecht, Martin","Dinuclear ruthenium complexes containing a new ditopic phthalazin-bis(triazole) ligand that promotes metal‒metal interactions","New Journal of Chemistry","2014","38","5","1980","","10.1039/c3nj01209c","","","0.71073","MoKα","","0.0412","0.0288","","","0.0578","0.0638","","","","","","1.06","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054065","11.8427","0.0005","21.0984","0.0007","12.933","0.001","90","","103.303","0.006","90","","3144.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C50 H46 Cl F18 N14 O2 P3 Ru2 -","- C47 H40 Cl F18 N14 O P3 Ru2 -","- C94 H80 Cl2 F36 N28 O2 P6 Ru4 -","2","0.5","","Aguiló, Joan; Naeimi, Atena; Bofill, Roger; Mueller-Bunz, Helge; Llobet, Antoni; Escriche, Lluís; Sala, Xavier; Albrecht, Martin","Dinuclear ruthenium complexes containing a new ditopic phthalazin-bis(triazole) ligand that promotes metal‒metal interactions","New Journal of Chemistry","2014","38","5","1980","","10.1039/c3nj01209c","","","0.71073","MoKα","","0.0698","0.0485","","","0.1204","0.1298","","","","","","1.044","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054066","7.6805","0.0003","13.5584","0.0004","9.0977","0.0003","90","","101.345","0.004","90","","928.88","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 B Cl F2 N2 -","- C9 H6 B Cl F2 N2 -","- C36 H24 B4 Cl4 F8 N8 -","4","1","","Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.","meso-Aryloxy and meso-arylaza linked BODIPY dimers: synthesis, structures and properties","New Journal of Chemistry","2014","38","8","3579","","10.1039/C4NJ00354C","","","0.71073","MoKα","","0.0263","0.0253","","","0.0635","0.0646","","","","","","1.055","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054067","14.2703","0.0002","8.2079","0.0001","22.8846","0.0002","90","","104.578","0.001","90","","2594.16","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 B2 F4 N6 O -","- C27 H24 B2 F4 N6 O -","- C108 H96 B8 F16 N24 O4 -","4","1","","Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.","meso-Aryloxy and meso-arylaza linked BODIPY dimers: synthesis, structures and properties","New Journal of Chemistry","2014","38","8","3579","","10.1039/C4NJ00354C","","","1.5418","CuKα","","0.0417","0.0378","","","0.0994","0.1033","","","","","","1.026","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054068","9.9907","0.0007","10.7791","0.0009","11.2843","0.0009","81.573","0.007","66.188","0.008","83.531","0.007","1097.84","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 B2 F4 N4 O2 -","- C24 H16 B2 F4 N4 O2 -","- C48 H32 B4 F8 N8 O4 -","2","1","","Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.","meso-Aryloxy and meso-arylaza linked BODIPY dimers: synthesis, structures and properties","New Journal of Chemistry","2014","38","8","3579","","10.1039/C4NJ00354C","","","1.5418","CuKα","","0.0491","0.0393","","","0.1004","0.11","","","","","","1.028","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054069","10.7934","0.0002","15.9368","0.0002","14.8791","0.0002","90","","105.658","0.002","90","","2464.41","0.07","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 B2 Cl2 F4 N6 -","- C25 H20 B2 Cl2 F4 N6 -","- C100 H80 B8 Cl8 F16 N24 -","4","0.5","","Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.","meso-Aryloxy and meso-arylaza linked BODIPY dimers: synthesis, structures and properties","New Journal of Chemistry","2014","38","8","3579","","10.1039/C4NJ00354C","","","1.5418","CuKα","","0.0602","0.0565","","","0.1416","0.1452","","","","","","1.061","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054106","4.7079","0.0004","7.0524","0.0008","14.1691","0.0017","94.124","0.004","91.235","0.003","102.963","0.003","456.92","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","picolinic acid magnesium nitrate tetrahydrate","","- C12 H18 Mg N4 O14 -","- C12 H18 Mg N4 O14 -","- C12 H18 Mg N4 O14 -","1","0.5","","Hamdy, Louise B.; Raithby, Paul R.; Thomas, Lynne H.; Wilson, Chick C.","Self-assembly synthesis of precursors to potential open framework alkali earth metal‒organic complexes","New Journal of Chemistry","2014","38","5","2135","","10.1039/c3nj01218b","","","0.71073","MoKα","","0.0324","0.0277","","","0.0732","0.0751","","","","","","1.119","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054107","6.976","0.0012","10.184","0.002","13.819","0.003","80.832","0.007","83.325","0.006","77.664","0.005","943.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","picolinic acid magnesium nitrate tetrahydrate","","- C12 H18 Mg N4 O14 -","- C12 H18 Mg N4 O14 -","- C24 H36 Mg2 N8 O28 -","2","1","","Hamdy, Louise B.; Raithby, Paul R.; Thomas, Lynne H.; Wilson, Chick C.","Self-assembly synthesis of precursors to potential open framework alkali earth metal‒organic complexes","New Journal of Chemistry","2014","38","5","2135","","10.1039/c3nj01218b","","","0.71075","MoKα","","0.0583","0.0341","","","0.0804","0.0994","","","","","","1.226","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7054108","6.1279","0.0006","8.1151","0.001","9.4126","0.0012","89.443","0.005","86.609","0.004","88.628","0.004","467.11","0.09","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","isonicotinic acid magnesium nitrate tetrahydrate","","- C12 H18 Mg N4 O14 -","- C12 H18 Mg N4 O14 -","- C12 H18 Mg N4 O14 -","1","0.5","","Hamdy, Louise B.; Raithby, Paul R.; Thomas, Lynne H.; Wilson, Chick C.","Self-assembly synthesis of precursors to potential open framework alkali earth metal‒organic complexes","New Journal of Chemistry","2014","38","5","2135","","10.1039/c3nj01218b","","","0.71075","MoKα","","0.0401","0.0332","","","0.0843","0.0888","","","","","","1.09","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054109","9.9683","0.0006","6.8418","0.0003","18.8376","0.001","90","","103.938","0.002","90","","1246.92","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","picolinic acid magnesium nitrate trihydrate","","- C6 H11 Mg N3 O11 -","- C6 H11 Mg N3 O11 -","- C24 H44 Mg4 N12 O44 -","4","1","","Hamdy, Louise B.; Raithby, Paul R.; Thomas, Lynne H.; Wilson, Chick C.","Self-assembly synthesis of precursors to potential open framework alkali earth metal‒organic complexes","New Journal of Chemistry","2014","38","5","2135","","10.1039/c3nj01218b","","","0.71073","MoKα","","0.0471","0.0381","","","0.0919","0.097","","","","","","1.102","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054110","9.561","0.0008","8.3362","0.0006","13.9891","0.001","90","","102.135","0.007","90","","1090.05","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-pyridine dicarboxylate pentahydrate","","- C7 H12 Mg N O8.5 -","- C7 H12 Mg N O8.5 -","- C28 H48 Mg4 N4 O34 -","4","1","","Hamdy, Louise B.; Raithby, Paul R.; Thomas, Lynne H.; Wilson, Chick C.","Self-assembly synthesis of precursors to potential open framework alkali earth metal‒organic complexes","New Journal of Chemistry","2014","38","5","2135","","10.1039/c3nj01218b","","","0.71075","MoKα","","0.1317","0.0787","","","0.2056","0.2809","","","","","","1.135","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7054111","7.0638","0.0006","8.9852","0.0008","9.6628","0.0012","83.104","0.009","75.593","0.009","83.597","0.007","587.58","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","diaqua-bis(pyridine-2,4-dicarboxylato)-magnesium(II), magnesium hexahydrate, water solvate","","- C14 H28 Mg2 N2 O19 -","- C14 H28 Mg2 N2 O19 -","- C14 H28 Mg2 N2 O19 -","1","0.5","","Hamdy, Louise B.; Raithby, Paul R.; Thomas, Lynne H.; Wilson, Chick C.","Self-assembly synthesis of precursors to potential open framework alkali earth metal‒organic complexes","New Journal of Chemistry","2014","38","5","2135","","10.1039/c3nj01218b","","","0.71073","MoKα","","0.1042","0.0627","","","","0.1925","","","","","","1.078","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054118","16.558","0.005","11.363","0.004","17.351","0.004","90","","119.49","0.02","90","","2841.6","1.6","293","2","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C128 H112 N16 O24 -","8","2","","Gupta, Puneet K.; Hussain, Mohd. Kamil; Asad, Mohd.; Kant, Ruchir; Mahar, Rohit; Shukla, Sanjeev K.; Hajela, Kanchan","A metal-free tandem approach to prepare structurally diverse N-heterocycles: synthesis of 1,2,4-oxadiazoles and pyrimidinones","New Journal of Chemistry","2014","38","7","3062","","10.1039/c4nj00361f","","","0.71075","MoKα","","0.0663","0.0479","","","0.1361","0.1663","","","","","","1.131","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054119","8.0476","0.0007","11.4511","0.001","16.8556","0.0014","90","","90","","90","","1553.3","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl Mo N2 O2 -","- C15 H13 Cl Mo N2 O2 -","- C60 H52 Cl4 Mo4 N8 O8 -","4","1","","Bruno, Sofia M.; Gomes, Ana C.; Gamelas, Carla A.; Abrantes, Marta; Oliveira, M. Conceição; Valente, Anabela A.; Almeida Paz, Filipe A.; Pillinger, Martyn; Romão, Carlos C.; Gonçalves, Isabel S.","Application of an indenyl molybdenum dicarbonyl complex in the isomerisation of α-pinene oxide to campholenic aldehyde","New Journal of Chemistry","2014","38","7","3172","","10.1039/c4nj00371c","","","0.71073","MoKα","","0.0271","0.0233","","","0.0446","0.0457","","","","","","1.044","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054127","9.131","0.003","12.369","0.004","9.87","0.004","90","","117.337","0.013","90","","990.2","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound_1","","","- C12 H32 Co N6 O7 -","- C12 H32 Co N6 O7 -","- C24 H64 Co2 N12 O14 -","2","1","","Piñero Cruz, Dalice M.; Woodruff, Daniel N.; Jeon, Ie-Rang; Bhowmick, Indrani; Secu, Mihail; Hillard, Elizabeth A.; Dechambenoit, Pierre; Clérac, Rodolphe","Switching off the single-molecule magnet properties of the [CoII(Me6tren)(OH2)]2+module by complexation with trans-[RuIII(salen)(CN)2]−","New Journal of Chemistry","2014","38","8","3443","","10.1039/C4NJ00452C","","","0.71073","MoKα","","0.0615","0.0414","","","0.096","0.1185","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054128","19.577","0.002","33.296","0.003","9.372","0.001","90","","103.641","0.003","90","","5936.7","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H85 Co2 N18 O12 Ru -","- C48 H83 Co2 N18 O12 Ru -","- C192 H332 Co8 N72 O48 Ru4 -","4","1","","Piñero Cruz, Dalice M.; Woodruff, Daniel N.; Jeon, Ie-Rang; Bhowmick, Indrani; Secu, Mihail; Hillard, Elizabeth A.; Dechambenoit, Pierre; Clérac, Rodolphe","Switching off the single-molecule magnet properties of the [CoII(Me6tren)(OH2)]2+module by complexation with trans-[RuIII(salen)(CN)2]−","New Journal of Chemistry","2014","38","8","3443","","10.1039/C4NJ00452C","","","0.71073","MoKα","","0.0706","0.0549","","","0.1568","0.1673","","","","","","1.133","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054149","7.5342","0.0003","11.7086","0.0005","12.0149","0.0005","103.096","0.001","91.041","0.001","104.119","0.001","998.11","0.07","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H34 Au Cl3 N4 O3 -","- C12 H34 Au Cl3 N4 O3 -","- C24 H68 Au2 Cl6 N8 O6 -","2","1","","Al-Jaroudi, Said S.; Monim-ul-Mehboob, M.; Altaf, Muhammad; Fettouhi, Mohammed; Wazeer, Mohammed I. M.; Altuwaijri, Saleh; Isab, Anvarhusein A.","Synthesis, spectroscopic characterization, X-ray structure and electrochemistry of new bis(1,2-diaminocyclohexane)gold(iii) chloride compounds and their anticancer activities against PC3 and SGC7901 cancer cell lines","New Journal of Chemistry","2014","38","7","3199","","10.1039/c3nj01624b","","","0.71073","MoKα","","0.0198","0.016","","","0.0405","0.0421","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054150","7.3996","0.0013","20.65","0.004","10.5543","0.0019","90","","93.558","0.003","90","","1609.6","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H46 Au2 Cl6 N6 O2 -","- C18 H46 Au2 Cl6 N6 O2 -","- C36 H92 Au4 Cl12 N12 O4 -","2","1","","Al-Jaroudi, Said S.; Monim-ul-Mehboob, M.; Altaf, Muhammad; Fettouhi, Mohammed; Wazeer, Mohammed I. M.; Altuwaijri, Saleh; Isab, Anvarhusein A.","Synthesis, spectroscopic characterization, X-ray structure and electrochemistry of new bis(1,2-diaminocyclohexane)gold(iii) chloride compounds and their anticancer activities against PC3 and SGC7901 cancer cell lines","New Journal of Chemistry","2014","38","7","3199","","10.1039/c3nj01624b","","","0.71073","MoKα","","0.0336","0.0294","","","0.0704","0.0718","","","","","","1.011","","","","has coordinates","188927","2020-10-21","18:00:00",""
"7054151","10.1962","0.0011","5.984","0.0004","15.6595","0.0016","90","","96.232","0.01","90","","949.8","0.16","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-methyl-2-[({[(4-methylphenyl)sulfonyl]amino}acetyl)amino]pentanoic acid hydrate","4-methyl-2-[({[(4-methylphenyl)sulfonyl]amino}acetyl)amino]pentanoic acid hydrate","","- C15 H24 N2 O6 S -","- C15 H24 N2 O6 S -","- C30 H48 N4 O12 S2 -","2","1","","Blatova, Olga A.; Asiri, Abdullah M.; Al-amshany, Zahra M.; Arshad, Muhammad Nadeem; Blatov, Vladislav A.","Molecular packings and specific-bonding patterns in sulfonamides","New Journal of Chemistry","2014","38","9","4099","","10.1039/C4NJ00392F","","","1.54184","CuKα","","0.0661","0.0435","","","0.0977","0.1177","","","","","","1.105","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054152","8.0437","0.0003","9.7182","0.0002","19.7716","0.0006","90","","90","","90","","1545.55","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>'-[(1<i>E</i>)-1-(3-methoxyphenyl)ethylidene]benzenesulfonohydrazide","<i>N</i>'-[(1<i>E</i>)-1-(3-methoxyphenyl)ethylidene]benzenesulfonohydrazide","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","","Blatova, Olga A.; Asiri, Abdullah M.; Al-amshany, Zahra M.; Arshad, Muhammad Nadeem; Blatov, Vladislav A.","Molecular packings and specific-bonding patterns in sulfonamides","New Journal of Chemistry","2014","38","9","4099","","10.1039/C4NJ00392F","","","1.54184","CuKα","","0.0321","0.0297","","","0.0744","0.0763","","","","","","1.065","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7054153","8.3535","0.0002","15.3411","0.0003","17.7711","0.0005","90","","98.086","0.002","90","","2254.76","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","<i>N</i>'-[(1<i>E</i>,2<i>E</i>)-1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl) prop-2-en-1-ylidene]benzenesulfonohydrazide","<i>N</i>'-[(1<i>E</i>,2<i>E</i>)-1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl) prop-2-en-1-ylidene]benzenesulfonohydrazide","","- C23 H21 Br N2 O4 S -","- C23 H21 Br N2 O4 S -","- C92 H84 Br4 N8 O16 S4 -","4","1","","Blatova, Olga A.; Asiri, Abdullah M.; Al-amshany, Zahra M.; Arshad, Muhammad Nadeem; Blatov, Vladislav A.","Molecular packings and specific-bonding patterns in sulfonamides","New Journal of Chemistry","2014","38","9","4099","","10.1039/C4NJ00392F","","","1.54184","CuKα","","0.0462","0.042","","","0.1085","0.1117","","","","","","1.042","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054154","7.968","0.004","8.368","0.005","12.57","0.007","90","","90","","90","","838.1","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","\1","(2Z)-3-carboxy-1-hydroxy-2-pyridinium-1-ylprop-2-1-olate","","- C9 H7 N O4 -","- C9 H7 N O4 -","- C36 H28 N4 O16 -","4","1","","Loots, Leigh; Haynes, Delia A.; Roex, Tanya le","Synthesis and solid-state supramolecular chemistry of a series of pyridinium-derived zwitterions","New Journal of Chemistry","2014","38","7","2778","","10.1039/c4nj00281d","","","0.71073","MoKα","","0.0371","0.0347","","","0.0841","0.0855","","","","","","1.056","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054155","11.119","0.003","8.057","0.002","12.839","0.003","90","","113.549","0.003","90","","1054.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","\2","(2Z)-3-carboxy-1-hydroxy-2-isoquinolinium-2-ylprop-2-en-1-olate","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C52 H36 N4 O16 -","4","1","","Loots, Leigh; Haynes, Delia A.; Roex, Tanya le","Synthesis and solid-state supramolecular chemistry of a series of pyridinium-derived zwitterions","New Journal of Chemistry","2014","38","7","2778","","10.1039/c4nj00281d","","","0.71073","MoKα","","0.0501","0.0409","","","0.1107","0.1174","","","","","","1.052","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054156","10.444","0.003","8.094","0.002","12.306","0.004","90","","110.376","0.006","90","","975.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","\3","(2Z)-3-carboxy-1-hydroxy-2-(3-hydroxypyridinium-1-yl)prop-2-en-1-olate","","- C9 H9 N O6 -","- C9 H9 N O6 -","- C36 H36 N4 O24 -","4","1","","Loots, Leigh; Haynes, Delia A.; Roex, Tanya le","Synthesis and solid-state supramolecular chemistry of a series of pyridinium-derived zwitterions","New Journal of Chemistry","2014","38","7","2778","","10.1039/c4nj00281d","","","0.71073","MoKα","","0.0739","0.0519","","","0.1301","0.1392","","","","","","1.065","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054157","7.097","0.003","19.995","0.008","7.478","0.003","90","","112.227","0.005","90","","982.3","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","\4","(2Z)-3-carboxy-2-(4-cyanopyridinium-1-yl)-1-hydroxyprop-2-en-1-olate","","- C10 H6 N2 O4 -","- C10 H6 N2 O4 -","- C40 H24 N8 O16 -","4","1","","Loots, Leigh; Haynes, Delia A.; Roex, Tanya le","Synthesis and solid-state supramolecular chemistry of a series of pyridinium-derived zwitterions","New Journal of Chemistry","2014","38","7","2778","","10.1039/c4nj00281d","","","0.71073","MoKα","","0.0524","0.0411","","","0.1028","0.1104","","","","","","1.055","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054158","7.189","0.005","7.5","0.005","9.557","0.007","82.788","0.007","87.499","0.007","64.972","0.007","463.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","\5","(2Z)-3-carboxy-2-(4-carboxypyridinium-1-yl)-1-hydroxyprop-2-en-1-olate","","- C10 H7 N O6 -","- C10 H7 N O6 -","- C20 H14 N2 O12 -","2","1","","Loots, Leigh; Haynes, Delia A.; Roex, Tanya le","Synthesis and solid-state supramolecular chemistry of a series of pyridinium-derived zwitterions","New Journal of Chemistry","2014","38","7","2778","","10.1039/c4nj00281d","","","0.71073","MoKα","","0.0321","0.0311","","","0.0841","0.0851","","","","","","1.046","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7054159","7.344","0.005","7.851","0.005","9.78","0.006","91.428","0.007","94.012","0.007","106.401","0.007","539","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","\5a","4-carboxypyridinium, carboxy-propynoate hydrate","","- C10 H9 N O7 -","- C10 H9 N O7 -","- C20 H18 N2 O14 -","2","1","","Loots, Leigh; Haynes, Delia A.; Roex, Tanya le","Synthesis and solid-state supramolecular chemistry of a series of pyridinium-derived zwitterions","New Journal of Chemistry","2014","38","7","2778","","10.1039/c4nj00281d","","","0.71073","MoKα","","0.0488","0.0421","","","0.1152","0.1187","","","","","","1.087","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054160","13.856","0.006","8.011","0.003","25.655","0.011","90","","92.488","0.007","90","","2845","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","\6~H2O~","(2Z)-3-carboxy-1-hydroxy-2-(4-phenylpyridinium-1-yl)prop-2-en-1-olate hydrate","","- C15 H14.42 N O5.71 -","- C15 H14.418 N O5.709 -","- C120 H115.344 N8 O45.672 -","8","1","","Loots, Leigh; Haynes, Delia A.; Roex, Tanya le","Synthesis and solid-state supramolecular chemistry of a series of pyridinium-derived zwitterions","New Journal of Chemistry","2014","38","7","2778","","10.1039/c4nj00281d","","","0.71073","MoKα","","0.0884","0.0472","","","0.1037","0.1236","","","","","","1.008","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7054161","13.746","0.005","7.408","0.002","14.216","0.005","90","","90.223","0.004","90","","1447.6","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","\6~MeOH~","(2Z)-3-carboxy-1-hydroxy-2-(4-phenylpyridinium-1-yl)prop-2-en-1-olate methanol solvate","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C64 H60 N4 O20 -","4","1","","Loots, Leigh; Haynes, Delia A.; Roex, Tanya le","Synthesis and solid-state supramolecular chemistry of a series of pyridinium-derived zwitterions","New Journal of Chemistry","2014","38","7","2778","","10.1039/c4nj00281d","","","0.71073","MoKα","","0.0495","0.0363","","","0.0882","0.0957","","","","","","1.037","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7054162","16.831","0.007","7.267","0.003","20.065","0.008","90","","110.56","0.006","90","","2297.8","1.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","\6a","bis(4-phenylpyridinium) carboxy-propynoate methanol solvate","","- C27 H24 N2 O5 -","- C27 H24 N2 O5 -","- C108 H96 N8 O20 -","4","1","","Loots, Leigh; Haynes, Delia A.; Roex, Tanya le","Synthesis and solid-state supramolecular chemistry of a series of pyridinium-derived zwitterions","New Journal of Chemistry","2014","38","7","2778","","10.1039/c4nj00281d","","","0.71073","MoKα","","0.1013","0.0532","","","0.1166","0.1408","","","","","","0.976","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054163","15.1432","0.0011","7.6866","0.0005","22.3032","0.0016","90","","90","","90","","2596.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","\7","(2Z)-2-(4-benzylpyridinium-1-yl-3-carboxy-1-hydroxyprop-2-en-1-olate","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Loots, Leigh; Haynes, Delia A.; Roex, Tanya le","Synthesis and solid-state supramolecular chemistry of a series of pyridinium-derived zwitterions","New Journal of Chemistry","2014","38","7","2778","","10.1039/c4nj00281d","","","0.71073","MoKα","","0.043","0.0379","","","0.0973","0.1011","","","","","","1.019","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054164","3.2689","0.0002","3.2689","0.0002","9.4008","0.0012","90","","90","","120","","86.996","0.013","293","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Iron(II) cyanamide","","- C Fe N2 -","- C Fe N2 -","- C2 Fe2 N4 -","2","0.0833333","","Herlitschke, M.; Tchougréeff, A. L.; Soudackov, A. V.; Klobes, B.; Stork, L.; Dronskowski, R.; Hermann, R. P.","Magnetism and lattice dynamics of FeNCN compared to FeO","New J. Chem.","2014","38","10","4670","","10.1039/C4NJ00097H","","","","","","0.0545","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054186","8.6717","0.0002","9.0238","0.0002","9.3952","0.0003","90","","94.504","0.003","90","","732.92","0.03","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N10 Ni -","- C12 H16 N10 Ni -","- C24 H32 N20 Ni2 -","2","0.5","","Sunkari, Sailaja S.; Kharediya, Bhagwan; Saha, Satyen; Elrez, Bahjat; Sutter, Jean-Pascal","Chain of dimers to assembly of trimers: temperature and ligand influenced formation of novel supramolecular assemblies of Cu(ii) with isomeric (aminomethyl) pyridines and azide","New Journal of Chemistry","2014","38","8","3529","","10.1039/C4NJ00374H","","","0.71073","MoKα","","0.027","0.0226","","","0.0561","0.0584","","","","","","1.052","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054187","6.9212","0.0005","8.2733","0.0005","9.9826","0.0006","67.059","0.006","72.775","0.006","65.514","0.006","472.84","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 Cu N8 -","- C6 H8 Cu N8 -","- C12 H16 Cu2 N16 -","2","1","","Sunkari, Sailaja S.; Kharediya, Bhagwan; Saha, Satyen; Elrez, Bahjat; Sutter, Jean-Pascal","Chain of dimers to assembly of trimers: temperature and ligand influenced formation of novel supramolecular assemblies of Cu(ii) with isomeric (aminomethyl) pyridines and azide","New Journal of Chemistry","2014","38","8","3529","","10.1039/C4NJ00374H","","","0.71073","MoKα","","0.0302","0.0251","","","0.0623","0.0646","","","","","","1.045","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054188","8.6111","0.0002","9.1061","0.0002","9.3794","0.0002","90","","93.735","0.002","90","","733.91","0.03","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cu N10 -","- C12 H16 Cu N10 -","- C24 H32 Cu2 N20 -","2","0.5","","Sunkari, Sailaja S.; Kharediya, Bhagwan; Saha, Satyen; Elrez, Bahjat; Sutter, Jean-Pascal","Chain of dimers to assembly of trimers: temperature and ligand influenced formation of novel supramolecular assemblies of Cu(ii) with isomeric (aminomethyl) pyridines and azide","New Journal of Chemistry","2014","38","8","3529","","10.1039/C4NJ00374H","","","0.71073","MoKα","","0.0311","0.0248","","","0.0688","0.0717","","","","","","1.197","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054189","7.4717","0.0015","8.9361","0.0018","9.391","0.002","76.781","0.018","75.283","0.018","71","0.019","566.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 Cu3 N22 -","- C12 H16 Cu3 N22 -","- C12 H16 Cu3 N22 -","1","0.5","","Sunkari, Sailaja S.; Kharediya, Bhagwan; Saha, Satyen; Elrez, Bahjat; Sutter, Jean-Pascal","Chain of dimers to assembly of trimers: temperature and ligand influenced formation of novel supramolecular assemblies of Cu(ii) with isomeric (aminomethyl) pyridines and azide","New Journal of Chemistry","2014","38","8","3529","","10.1039/C4NJ00374H","","","0.71073","MoKα","","0.0903","0.0646","","","0.1653","0.1958","","","","","","1.038","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054190","8.752","0.003","9.098","0.003","9.408","0.003","90","","94.347","0.006","90","","747","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N10 Zn -","- C12 H16 N10 Zn -","- C24 H32 N20 Zn2 -","2","0.5","","Sunkari, Sailaja S.; Kharediya, Bhagwan; Saha, Satyen; Elrez, Bahjat; Sutter, Jean-Pascal","Chain of dimers to assembly of trimers: temperature and ligand influenced formation of novel supramolecular assemblies of Cu(ii) with isomeric (aminomethyl) pyridines and azide","New Journal of Chemistry","2014","38","8","3529","","10.1039/C4NJ00374H","","","0.71073","MoKα","","0.0228","0.0217","","","0.0613","0.0622","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054191","5.9271","0.0015","12.79","0.003","12.361","0.003","90","","100.163","0.013","90","","922.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N S -","- C9 H11 N S -","- C36 H44 N4 S4 -","4","1","","Basu, Basudeb; Kundu, Samir","Unprecedented amidation of ‘transient’ aryl thioaldehydes by N,N-dimethylformamide under basic conditions","New Journal of Chemistry","2014","38","8","3367","","10.1039/C4NJ00480A","","","0.71073","MoKα","","0.0609","0.0419","","","0.1287","0.1447","","","","","","0.935","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054192","10.1194","0.0003","14.4115","0.0004","7.3274","0.0002","90","","106.198","0.002","90","","1026.18","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N S -","- C9 H10 Cl N S -","- C36 H40 Cl4 N4 S4 -","4","1","","Basu, Basudeb; Kundu, Samir","Unprecedented amidation of ‘transient’ aryl thioaldehydes by N,N-dimethylformamide under basic conditions","New Journal of Chemistry","2014","38","8","3367","","10.1039/C4NJ00480A","","","0.71073","MoKα","","0.0715","0.0465","","","0.131","0.1418","","","","","","0.935","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054193","9.5997","0.0012","10.9697","0.0015","15.236","0.002","99.118","0.002","96.954","0.002","94.303","0.002","1565.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H56 Ag2 N18 O16 -","- C62 H56 Ag2 N18 O16 -","- C62 H56 Ag2 N18 O16 -","1","0.5","","Wu, Huilu; Zhang, Yanhui; Chen, Chengyong; Zhang, Jiawen; Bai, Yuchen; Shi, Furong; Wang, Xiaoli","DNA-binding studies and antioxidant activities of two-, three- and four-coordinate silver(i) complexes containing bis(2-benzimidazolyl)aniline derivatives","New Journal of Chemistry","2014","38","8","3688","","10.1039/C4NJ00503A","","","0.71073","MoKα","","0.04","0.0359","","","0.0984","0.1053","","","","","","1.096","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054194","14.0351","0.0016","15.1423","0.0012","15.6532","0.0018","106.739","0.008","116.252","0.001","98.591","0.007","2704.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H58 Ag N13 O8 -","- C58 H58 Ag N13 O8 -","- C116 H116 Ag2 N26 O16 -","2","1","","Wu, Huilu; Zhang, Yanhui; Chen, Chengyong; Zhang, Jiawen; Bai, Yuchen; Shi, Furong; Wang, Xiaoli","DNA-binding studies and antioxidant activities of two-, three- and four-coordinate silver(i) complexes containing bis(2-benzimidazolyl)aniline derivatives","New Journal of Chemistry","2014","38","8","3688","","10.1039/C4NJ00503A","","","0.71073","MoKα","","0.0478","0.037","","","0.0985","0.106","","","","","","1.038","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054195","6.951","0.004","17.701","0.009","24.901","0.013","90","","90","","90","","3064","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Ag N8 O7 -","- C32 H29 Ag N8 O7 -","- C128 H116 Ag4 N32 O28 -","4","1","","Wu, Huilu; Zhang, Yanhui; Chen, Chengyong; Zhang, Jiawen; Bai, Yuchen; Shi, Furong; Wang, Xiaoli","DNA-binding studies and antioxidant activities of two-, three- and four-coordinate silver(i) complexes containing bis(2-benzimidazolyl)aniline derivatives","New Journal of Chemistry","2014","38","8","3688","","10.1039/C4NJ00503A","","","0.71073","MoKα","","0.0401","0.033","","","0.0721","0.0756","","","","","","1.053","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054196","7.932","0.006","10.674","0.008","10.901","0.009","91.188","0.012","106.211","0.011","90.163","0.012","886","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 Br3 S2 -","- C16 H15 Br3 S2 -","- C32 H30 Br6 S4 -","2","1","","Cauteruccio, Silvia; Dova, Davide; Graiff, Claudia; Carrara, Claudio; Doulcet, Julien; Stephenson, G. Richard; Licandro, Emanuela","A non-photochemical route to synthesize simple benzo[1,2-b:4,3-b′]dithiophenes: FeCl3-mediated cyclization of dithienyl ethenes","New Journal of Chemistry","2014","38","6","2241","","10.1039/c3nj01567j","","","0.71073","MoKα","","0.1213","0.0463","","","0.0885","0.1103","","","","","","0.948","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054197","26.9821","0.0016","6.2025","0.0003","18.9375","0.0011","90","","103.184","0.002","90","","3085.8","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H46 S2 Si2 -","- C28 H46 S2 Si2 -","- C112 H184 S8 Si8 -","4","0.5","","Glöcklhofer, Florian; Lumpi, Daniel; Stöger, Berthold; Fröhlich, Johannes","Multigram synthesis of bis[(trimethylsilyl)ethynyl]benzenes suitable for post-polymerization modification","New Journal of Chemistry","2014","38","6","2229","","10.1039/c4nj00011k","","x-ray","0.71073","MoKα","","0.0513","0.0335","","","0.0362","0.0375","","","","1.94","1.94","1.76","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054198","27.0042","0.0005","6.2978","0.0016","19.0383","0.0012","90","","102.186","0.0014","90","","3164.8","0.8","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H46 Se2 Si2 -","- C28 H46 Se2 Si2 -","- C112 H184 Se8 Si8 -","4","0.5","","Glöcklhofer, Florian; Lumpi, Daniel; Stöger, Berthold; Fröhlich, Johannes","Multigram synthesis of bis[(trimethylsilyl)ethynyl]benzenes suitable for post-polymerization modification","New Journal of Chemistry","2014","38","6","2229","","10.1039/c4nj00011k","","x-ray","0.71073","MoKα","","0.0743","0.0396","","","0.041","0.0436","","","","2","2","1.74","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054199","10.4283","0.0008","10.1568","0.0009","16.254","0.0014","90","","100.454","0.003","90","","1693","0.2","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 O4 S2 Si2 -","- C28 H46 O4 S2 Si2 -","- C56 H92 O8 S4 Si4 -","2","0.5","","Glöcklhofer, Florian; Lumpi, Daniel; Stöger, Berthold; Fröhlich, Johannes","Multigram synthesis of bis[(trimethylsilyl)ethynyl]benzenes suitable for post-polymerization modification","New Journal of Chemistry","2014","38","6","2229","","10.1039/c4nj00011k","","x-ray","0.71073","MoKα","","0.0747","0.0543","","","0.0712","0.0722","","","","4.53","4.53","4.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054200","10.5718","0.0004","11.4215","0.0005","15.7806","0.0007","79.158","0.002","81.398","0.002","80.819","0.002","1833.35","0.13","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","[Pd2Hg4Cl6(Te(2,6-OCH3)2C6H3)6].2DMF","","- C27 H34 Cl3 Hg2 N O7 Pd Te3 -","- C27 H34 Cl3 Hg2 N O7 Pd Te3 -","- C54 H68 Cl6 Hg4 N2 O14 Pd2 Te6 -","2","1","","Tirloni, Barbara; Lang, Ernesto Schulz; de Oliveira, Gelson Manzoni; Piquini, Paulo; Hörner, Manfredo","Synthesis, crystal structure, and optical characteristics of [Pd2Hg4Cl6{Te(DMB)}6]·2DMF, [HgClTe(DMB)]4, and the ring-forming cluster [Pd12(TePh)24]·2DMF","New Journal of Chemistry","2014","38","6","2394","","10.1039/c3nj01455j","","","0.71073","MoKα","","0.0706","0.0408","","","0.1024","0.1298","","","","","","1.09","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054201","35.392","0.003","19.4685","0.0017","25.583","0.002","90","","92.237","0.006","90","","17614","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Pd12(TePh)24].2DMF","","- C75 H67 N O Pd6 Te12 -","- C75 H67 N O Pd6 Te12 -","- C600 H536 N8 O8 Pd48 Te96 -","8","1","","Tirloni, Barbara; Lang, Ernesto Schulz; de Oliveira, Gelson Manzoni; Piquini, Paulo; Hörner, Manfredo","Synthesis, crystal structure, and optical characteristics of [Pd2Hg4Cl6{Te(DMB)}6]·2DMF, [HgClTe(DMB)]4, and the ring-forming cluster [Pd12(TePh)24]·2DMF","New Journal of Chemistry","2014","38","6","2394","","10.1039/c3nj01455j","","","0.71073","MoKα","","0.1618","0.075","","","0.1662","0.2025","","","","","","1.027","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054202","13.6219","0.0001","12.3303","0.0001","14.266","0.0001","90","","114.291","0.001","90","","2184.01","0.03","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Hg4Cl4(Te(2,6-OCH3)2C6H3)4]","","- C16 H18 Cl2 Hg2 O4 Te2 -","- C16 H18 Cl2 Hg2 O4 Te2 -","- C64 H72 Cl8 Hg8 O16 Te8 -","4","1","","Tirloni, Barbara; Lang, Ernesto Schulz; de Oliveira, Gelson Manzoni; Piquini, Paulo; Hörner, Manfredo","Synthesis, crystal structure, and optical characteristics of [Pd2Hg4Cl6{Te(DMB)}6]·2DMF, [HgClTe(DMB)]4, and the ring-forming cluster [Pd12(TePh)24]·2DMF","New Journal of Chemistry","2014","38","6","2394","","10.1039/c3nj01455j","","","0.71073","MoKα","","0.0299","0.0199","","","0.0385","0.0413","","","","","","1.039","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054203","12.8104","0.0004","9.7998","0.0002","15.3326","0.0004","90","","113.436","0.003","90","","1766.05","0.09","150","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N6 O -","- C21 H20 N6 O -","- C84 H80 N24 O4 -","4","1","","Sathyanarayana, Arruri; Prabusankar, Ganesan","Facile access to imidazole and imidazolium substituted dibenzo-diazocines","New Journal of Chemistry","2014","38","8","3613","","10.1039/C4NJ00351A","","","1.54184","","","0.044808","0.040048","","","","0.107918","","","","","","1.0528","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054204","12.936","0.0005","9.8962","0.0003","15.4643","0.0005","90","","113.922","0.004","90","","1809.64","0.12","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N6 O -","- C21 H20 N6 O -","- C84 H80 N24 O4 -","4","1","","Sathyanarayana, Arruri; Prabusankar, Ganesan","Facile access to imidazole and imidazolium substituted dibenzo-diazocines","New Journal of Chemistry","2014","38","8","3613","","10.1039/C4NJ00351A","","","1.5418","CuKα","","0.065177","0.057767","","","","0.15714","","","","","","1.04393","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054205","25.14","0.004","5.5409","0.0005","13.9897","0.0017","90","","122.157","0.019","90","","1649.8","0.5","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 N6 -","- C21 H18 N6 -","- C84 H72 N24 -","4","0.5","","Sathyanarayana, Arruri; Prabusankar, Ganesan","Facile access to imidazole and imidazolium substituted dibenzo-diazocines","New Journal of Chemistry","2014","38","8","3613","","10.1039/C4NJ00351A","","","1.54184","","","0.0514","0.041","","","","0.1152","","","","","","1.0401","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054206","10.93","0.0002","16.8443","0.0003","14.0472","0.0003","90","","107.695","0.003","90","","2463.85","0.09","298","","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 I2 N6 -","- C23 H24 I2 N6 -","- C92 H96 I8 N24 -","4","1","","Sathyanarayana, Arruri; Prabusankar, Ganesan","Facile access to imidazole and imidazolium substituted dibenzo-diazocines","New Journal of Chemistry","2014","38","8","3613","","10.1039/C4NJ00351A","","","1.5418","CuKα","","0.060348","0.05204","","","","0.142201","","","","","","1.04529","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054207","10.1807","0.0005","13.9648","0.0007","20.5397","0.0009","90","","101.629","0.005","90","","2860.2","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H32 I2 N6 -","- C27 H32 I2 N6 -","- C108 H128 I8 N24 -","4","0.5","","Sathyanarayana, Arruri; Prabusankar, Ganesan","Facile access to imidazole and imidazolium substituted dibenzo-diazocines","New Journal of Chemistry","2014","38","8","3613","","10.1039/C4NJ00351A","","","1.54184","","","0.041248","0.032518","","","","0.083808","","","","","","1.02054","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054208","8.3442","0.001","12.5633","0.0012","15.0779","0.0016","84.154","0.008","79.178","0.01","87.113","0.009","1543.7","0.3","150","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 Cl2 N8 O -","- C33 H30 Cl2 N8 O -","- C66 H60 Cl4 N16 O2 -","2","1","","Sathyanarayana, Arruri; Prabusankar, Ganesan","Facile access to imidazole and imidazolium substituted dibenzo-diazocines","New Journal of Chemistry","2014","38","8","3613","","10.1039/C4NJ00351A","","","1.5418","CuKα","","0.114942","0.072302","","","","0.224077","","","","","","1.08965","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054214","17.511","0.0005","6.5385","0.0002","17.3475","0.0004","90","","108.249","0.003","90","","1886.32","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dimethylglycinium hydrogen squarate","Dimethylglycine-squaric acid","","- C16 H22 N2 O12 -","- C16 H22 N2 O12 -","- C64 H88 N8 O48 -","4","1","","Anioła, Michalina; Dega-Szafran, Zofia; Katrusiak, Andrzej; Szafran, Mirosław","NH⋯O and OH⋯O interactions of glycine derivatives with squaric acid","New Journal of Chemistry","2014","38","8","3556","","10.1039/C4NJ00212A","","","0.71073","MoKα","","0.061","0.0386","","","0.097","0.1042","","","","","","0.968","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054215","16.8392","0.0003","8.3163","0.0002","15.8267","0.0003","90","","100.063","0.002","90","","2182.27","0.08","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diglycinium squarate","","","- C8 H12 N2 O8 -","- C8 H12 N2 O8 -","- C64 H96 N16 O64 -","8","1","","Anioła, Michalina; Dega-Szafran, Zofia; Katrusiak, Andrzej; Szafran, Mirosław","NH⋯O and OH⋯O interactions of glycine derivatives with squaric acid","New Journal of Chemistry","2014","38","8","3556","","10.1039/C4NJ00212A","","","0.71073","MoKα","","0.042","0.0382","","","0.1098","0.1159","","","","","","0.697","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054216","16.6068","0.0002","7.21436","0.00008","15.4441","0.00017","90","","97.0249","0.0011","90","","1836.43","0.04","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Sarcosinium hydrogen squarate semihydrate","","","- C7 H10 N O6.5 -","- C7 H10 N O6.5 -","- C56 H80 N8 O52 -","8","1","","Anioła, Michalina; Dega-Szafran, Zofia; Katrusiak, Andrzej; Szafran, Mirosław","NH⋯O and OH⋯O interactions of glycine derivatives with squaric acid","New Journal of Chemistry","2014","38","8","3556","","10.1039/C4NJ00212A","","","1.54184","CuKα","","0.0337","0.0331","","","0.1013","0.102","","","","","","0.807","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7054218","22.2718","0.0014","6.0451","0.0003","16.2765","0.0008","90","","90","","90","","2191.4","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Betainium hydrogen squarate","Betainium hydrogen squarate","","- C9 H13 N O6 -","- C9 H13 N O6 -","- C72 H104 N8 O48 -","8","2","","Anioła, Michalina; Dega-Szafran, Zofia; Katrusiak, Andrzej; Szafran, Mirosław","NH⋯O and OH⋯O interactions of glycine derivatives with squaric acid","New Journal of Chemistry","2014","38","8","3556","","10.1039/C4NJ00212A","","","0.71073","MoKα","","0.0942","0.04","","","0.0891","0.1069","","","","","","0.766","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054219","11.3826","0.0005","23.7917","0.0006","11.395","0.0004","90","","98.948","0.004","90","","3048.34","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Hg N4 O4 S4 -","- C30 H26 Hg N4 O4 S4 -","- C120 H104 Hg4 N16 O16 S16 -","4","1","","Singh, Vikram; Kumar, Vinod; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Effect of pyridyl substituents leading to the formation of green luminescent mercury(ii) coordination polymers, zinc(ii) dimers and a monomer","New Journal of Chemistry","2014","38","8","3737","","10.1039/C4NJ00435C","","","0.71073","MoKα","","0.1257","0.0633","","","0.1348","0.1574","","","","","","1.007","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054220","9.4813","0.0007","9.88","0.0007","11.0632","0.001","92.892","0.006","95.604","0.007","109.777","0.006","966.69","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Hg N4 S4 -","- C16 H18 Hg N4 S4 -","- C32 H36 Hg2 N8 S8 -","2","1","","Singh, Vikram; Kumar, Vinod; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Effect of pyridyl substituents leading to the formation of green luminescent mercury(ii) coordination polymers, zinc(ii) dimers and a monomer","New Journal of Chemistry","2014","38","8","3737","","10.1039/C4NJ00435C","","","0.71073","MoKα","","0.0726","0.0463","","","0.0967","0.1073","","","","","","1.013","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054221","23.103","0.002","6.2441","0.0015","18.0358","0.0015","90","","94.053","0.009","90","","2595.3","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Hg N4 O2 S4 -","- C24 H22 Hg N4 O2 S4 -","- C96 H88 Hg4 N16 O8 S16 -","4","0.5","","Singh, Vikram; Kumar, Vinod; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Effect of pyridyl substituents leading to the formation of green luminescent mercury(ii) coordination polymers, zinc(ii) dimers and a monomer","New Journal of Chemistry","2014","38","8","3737","","10.1039/C4NJ00435C","","","0.71073","MoKα","","0.0635","0.0421","","","0.0774","0.0854","","","","","","0.989","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054222","8.401","0.0019","12.5882","0.0019","16.095","0.002","82.07","0.013","89.048","0.015","86.522","0.015","1682.7","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C60 H60 Hg2 N8 S8 -","- C60 H60 Hg2 N8 S8 -","- C60 H60 Hg2 N8 S8 -","1","1","","Singh, Vikram; Kumar, Vinod; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Effect of pyridyl substituents leading to the formation of green luminescent mercury(ii) coordination polymers, zinc(ii) dimers and a monomer","New Journal of Chemistry","2014","38","8","3737","","10.1039/C4NJ00435C","","","0.71073","MoKα","","0.081","0.0622","","","0.1644","0.1809","","","","","","1.021","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054223","8.863","0.003","10.737","0.004","11.639","0.003","102.46","0.03","100.45","0.02","101.79","0.03","1028.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 Hg N3 O S2 -","- C19 H20 Hg N3 O S2 -","- C38 H40 Hg2 N6 O2 S4 -","2","1","","Singh, Vikram; Kumar, Vinod; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Effect of pyridyl substituents leading to the formation of green luminescent mercury(ii) coordination polymers, zinc(ii) dimers and a monomer","New Journal of Chemistry","2014","38","8","3737","","10.1039/C4NJ00435C","","","0.71073","MoKα","","0.1191","0.0831","","","0.1959","0.2366","","","","","","1.071","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054224","33.117","0.004","4.6178","0.001","19.233","0.003","90","","109.774","0.016","90","","2767.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Hg N4 S4 -","- C28 H22 Hg N4 S4 -","- C112 H88 Hg4 N16 S16 -","4","0.5","","Singh, Vikram; Kumar, Vinod; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Effect of pyridyl substituents leading to the formation of green luminescent mercury(ii) coordination polymers, zinc(ii) dimers and a monomer","New Journal of Chemistry","2014","38","8","3737","","10.1039/C4NJ00435C","","","0.71073","MoKα","","0.0932","0.0569","","","0.1196","0.1376","","","","","","0.992","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054225","6.9071","0.0012","13.1487","0.0019","26.875","0.004","90","","90","","90","","2440.8","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 S -","- C14 H12 N2 S -","- C112 H96 N16 S8 -","8","1","","Singh, Vikram; Kumar, Vinod; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Effect of pyridyl substituents leading to the formation of green luminescent mercury(ii) coordination polymers, zinc(ii) dimers and a monomer","New Journal of Chemistry","2014","38","8","3737","","10.1039/C4NJ00435C","","","0.71073","MoKα","","0.1023","0.0517","","","0.1079","0.1254","","","","","","0.965","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054226","9.194","0.002","12.569","0.003","13.936","0.003","78.93","0.02","89.934","0.018","87.58","0.02","1579","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H58 N8 O S8 Zn2 -","- C58 H58 N8 O S8 Zn2 -","- C58 H58 N8 O S8 Zn2 -","1","0.5","","Singh, Vikram; Kumar, Vinod; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Effect of pyridyl substituents leading to the formation of green luminescent mercury(ii) coordination polymers, zinc(ii) dimers and a monomer","New Journal of Chemistry","2014","38","8","3737","","10.1039/C4NJ00435C","","","0.71073","MoKα","","0.1943","0.0887","","","0.2075","0.2586","","","","","","0.929","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054227","9.5002","0.0005","10.9038","0.0006","12.1293","0.0009","81.21","0.005","72.113","0.006","81.781","0.004","1175.5","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H56 N4 O8 S8 Zn2 -","- C36 H56 N4 O8 S8 Zn2 -","- C36 H56 N4 O8 S8 Zn2 -","1","0.5","","Singh, Vikram; Kumar, Vinod; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Effect of pyridyl substituents leading to the formation of green luminescent mercury(ii) coordination polymers, zinc(ii) dimers and a monomer","New Journal of Chemistry","2014","38","8","3737","","10.1039/C4NJ00435C","","","0.71073","MoKα","","0.1173","0.0591","","","0.1039","0.1278","","","","","","0.965","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054228","10.751","0.002","7.834","0.003","18.396","0.003","67.026","0.016","81.671","0.017","84.999","0.015","1410.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 N4 S4 Zn -","- C28 H30 N4 S4 Zn -","- C56 H60 N8 S8 Zn2 -","2","1","","Singh, Vikram; Kumar, Vinod; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Effect of pyridyl substituents leading to the formation of green luminescent mercury(ii) coordination polymers, zinc(ii) dimers and a monomer","New Journal of Chemistry","2014","38","8","3737","","10.1039/C4NJ00435C","","","0.71073","MoKα","","0.1156","0.0815","","","0.2214","0.2441","","","","","","1.048","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054229","20.803","0.003","6.3637","0.0008","25.24","0.003","90","","99.136","0.002","90","","3299","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H33 N3 Pd S4 -","- C35 H33 N3 Pd S4 -","- C140 H132 N12 Pd4 S16 -","4","0.5","","Ehsan, Muhammad Ali; Ming, Huang Nay; McKee, Vickie; Peiris, Thalge Anton Nirmal; Wijayantha-Kahagala-Gamage, Upul; Arifin, Zainudin; Mazhar, Muhammad","Vysotskite structured photoactive palladium sulphide thin films from dithiocarbamate derivatives","New Journal of Chemistry","2014","38","9","4083","","10.1039/C4NJ00564C","","","0.71073","MoKα","","0.0378","0.0283","","","0.0606","0.064","","","","","","1.049","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054230","9.961","0.0013","14.0277","0.0019","12.1552","0.0016","90","","104.023","0.002","90","","1647.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H49 N3 Pd S4 -","- C31 H49 N3 Pd S4 -","- C62 H98 N6 Pd2 S8 -","2","0.5","","Ehsan, Muhammad Ali; Ming, Huang Nay; McKee, Vickie; Peiris, Thalge Anton Nirmal; Wijayantha-Kahagala-Gamage, Upul; Arifin, Zainudin; Mazhar, Muhammad","Vysotskite structured photoactive palladium sulphide thin films from dithiocarbamate derivatives","New Journal of Chemistry","2014","38","9","4083","","10.1039/C4NJ00564C","","","0.71073","MoKα","","0.0519","0.0348","","","0.0773","0.0832","","","","","","0.999","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054231","12.3351","0.0011","20.5728","0.0019","25.918","0.002","90","","90","","90","","6577.1","1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H52 N2 Pd S4 -","- C26 H52 N2 Pd S4 -","- C208 H416 N16 Pd8 S32 -","8","1","","Ehsan, Muhammad Ali; Ming, Huang Nay; McKee, Vickie; Peiris, Thalge Anton Nirmal; Wijayantha-Kahagala-Gamage, Upul; Arifin, Zainudin; Mazhar, Muhammad","Vysotskite structured photoactive palladium sulphide thin films from dithiocarbamate derivatives","New Journal of Chemistry","2014","38","9","4083","","10.1039/C4NJ00564C","","","0.71073","MoKα","","0.0731","0.0375","","","0.0817","0.0955","","","","","","1.01","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054232","9.9199","0.0007","11.0292","0.0007","10.1444","0.0007","90","","114.696","0.001","90","","1008.37","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 N2 Pd S4 -","- C16 H28 N2 Pd S4 -","- C32 H56 N4 Pd2 S8 -","2","0.5","","Ehsan, Muhammad Ali; Ming, Huang Nay; McKee, Vickie; Peiris, Thalge Anton Nirmal; Wijayantha-Kahagala-Gamage, Upul; Arifin, Zainudin; Mazhar, Muhammad","Vysotskite structured photoactive palladium sulphide thin films from dithiocarbamate derivatives","New Journal of Chemistry","2014","38","9","4083","","10.1039/C4NJ00564C","","","0.71073","MoKα","","0.0327","0.0262","","","0.0623","0.0651","","","","","","1.063","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054233","13.6795","0.0005","14.0922","0.0006","15.6687","0.0007","90","","90","","90","","3020.5","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N7 O4 S3 Y -","- C25 H28 N7 O4 S3 Y -","- C100 H112 N28 O16 S12 Y4 -","4","1","","Petrosyants, Svetlana; Dobrokhotova, Zhanna; Ilyukhin, Andrey; Novotortsev, Vladimir","Supramolecular aggregation of yttrium thiocyanate with 4,4′-bipyridine","New Journal of Chemistry","2014","38","8","3803","","10.1039/C4NJ00598H","","","0.71073","MoKα","","0.0937","0.0465","","","0.0756","0.0897","","","","","","0.955","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054234","15.0003","0.0012","15.3686","0.0009","15.1311","0.0008","90","","112.679","0.002","90","","3218.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H60 N14 O8 S6 Y2 -","- C52 H60 N14 O8 S6 Y2 -","- C104 H120 N28 O16 S12 Y4 -","2","0.5","","Petrosyants, Svetlana; Dobrokhotova, Zhanna; Ilyukhin, Andrey; Novotortsev, Vladimir","Supramolecular aggregation of yttrium thiocyanate with 4,4′-bipyridine","New Journal of Chemistry","2014","38","8","3803","","10.1039/C4NJ00598H","","","0.71073","MoKα","","0.1045","0.0637","","","0.1332","0.1552","","","","","","0.968","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054235","13.995","0.004","15.465","0.004","15.478","0.004","90","","114.419","0.004","90","","3050.3","1.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H46 N16 O6 S8 Y2 -","- C48 H46 N16 O6 S8 Y2 -","- C96 H92 N32 O12 S16 Y4 -","2","0.5","","Petrosyants, Svetlana; Dobrokhotova, Zhanna; Ilyukhin, Andrey; Novotortsev, Vladimir","Supramolecular aggregation of yttrium thiocyanate with 4,4′-bipyridine","New Journal of Chemistry","2014","38","8","3803","","10.1039/C4NJ00598H","","","0.71073","MoKα","","0.0784","0.0457","","","0.1333","0.1575","","","","","","1.062","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054236","11.8885","0.0006","15.5251","0.0009","22.7683","0.0011","90","","102.245","0.002","90","","4106.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 N10 O5 S4 Y -","- C34 H33 N10 O5 S4 Y -","- C136 H132 N40 O20 S16 Y4 -","4","1","","Petrosyants, Svetlana; Dobrokhotova, Zhanna; Ilyukhin, Andrey; Novotortsev, Vladimir","Supramolecular aggregation of yttrium thiocyanate with 4,4′-bipyridine","New Journal of Chemistry","2014","38","8","3803","","10.1039/C4NJ00598H","","","0.71073","MoKα","","0.1064","0.0447","","","0.0939","0.1179","","","","","","0.937","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054237","10.922","0.005","17.836","0.011","28.622","0.018","90","","98.157","0.018","90","","5519","5","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C47 H44 N15 O4 S7 Y -","- C47 H40.5 N15 O4 S7 Y -","- C188 H162 N60 O16 S28 Y4 -","4","2","","Petrosyants, Svetlana; Dobrokhotova, Zhanna; Ilyukhin, Andrey; Novotortsev, Vladimir","Supramolecular aggregation of yttrium thiocyanate with 4,4′-bipyridine","New Journal of Chemistry","2014","38","8","3803","","10.1039/C4NJ00598H","","","0.71073","MoKα","","0.2513","0.0889","","","0.1724","0.2255","","","","","","0.884","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054238","14.789","0.0009","18.1748","0.0012","19.6738","0.0012","90","","106.229","0.002","90","","5077.3","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H37 N14 O S6 Y -","- C46 H37 N14 O S6 Y -","- C184 H148 N56 O4 S24 Y4 -","4","1","","Petrosyants, Svetlana; Dobrokhotova, Zhanna; Ilyukhin, Andrey; Novotortsev, Vladimir","Supramolecular aggregation of yttrium thiocyanate with 4,4′-bipyridine","New Journal of Chemistry","2014","38","8","3803","","10.1039/C4NJ00598H","","","0.71073","MoKα","","0.0872","0.0408","","","0.0875","0.1039","","","","","","0.989","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054239","9.362","0.01","21.55","0.02","19.379","0.016","90","","98.64","0.02","90","","3865","6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H29 N10 O2 S4 Y -","- C34 H29 N10 O2 S4 Y -","- C136 H116 N40 O8 S16 Y4 -","4","1","","Petrosyants, Svetlana; Dobrokhotova, Zhanna; Ilyukhin, Andrey; Novotortsev, Vladimir","Supramolecular aggregation of yttrium thiocyanate with 4,4′-bipyridine","New Journal of Chemistry","2014","38","8","3803","","10.1039/C4NJ00598H","","","0.71073","MoKα","","0.1759","0.1286","","","0.286","0.3007","","","","","","1.517","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054240","9.735","0.001","12.588","0.003","12.131","0.002","90","","112.65","0.01","90","","1371.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[isopropoxy(thiocarbonyl)]disulfane","","- C8 H14 O2 S4 -","- C8 H14 O2 S4 -","- C32 H56 O8 S16 -","4","1","","Juncal, Luciana C.; Tobón, Yeny A.; Piro, Oscar E.; Della Védova, Carlos O.; Romano, Rosana M.","Structural, spectroscopic and theoretical studies on dixanthogens: (ROC(S)S)2, with R = n-propyl and isopropyl","New Journal of Chemistry","2014","38","8","3708","","10.1039/C4NJ00708E","","","1.54184","CuKα","","0.0806","0.072","","","0.1911","0.2066","","","","","","1.065","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054244","6.07446","0.00013","8.98778","0.00019","24.241","0.0006","90","","90","","90","","1323.46","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-2,3,3,3-Tetrafluoro-N-methyl-N-((R)-1-phenylethyl)propanamide","","- C12 H13 F4 N O -","- C12 H13 F4 N O -","- C48 H52 F16 N4 O4 -","4","1","","Bilska-Markowska, Monika; Rapp, Magdalena; Siodła, Tomasz; Katrusiak, Andrzej; Hoffmann, Marcin; Koroniak, Henryk","Tri- and tetrafluoropropionamides derived from chiral secondary amines ‒ synthesis and the conformational studies","New Journal of Chemistry","2014","38","8","3819","","10.1039/C4NJ00317A","","","1.54184","CuKα","","0.047","0.0441","","","0.1384","0.1423","","","","","","1.106","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054245","8.2841","0.0004","8.9822","0.0004","9.6248","0.0004","86.725","0.003","82.846","0.002","81.578","0.002","702.39","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Cu2 N6 O8 -","- C28 H26 Cu2 N6 O8 -","- C28 H26 Cu2 N6 O8 -","1","0.5","","Jena, Himanshu Sekhar","Effect of non-covalent interaction on the diastereoselective self-assembly of Cu(ii) complexes containing a racemic Schiff base in a chiral self-discriminating process","New Journal of Chemistry","2014","38","6","2486","","10.1039/c3nj01547e","","","0.71073","MoKα","","0.0131","0.013","","","0.1081","0.1082","","","","","","1.057","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054246","23.672","0.002","8.6741","0.0007","27.466","0.003","90","","139.368","0.005","90","","3672.6","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Cl Cu N2 O6 -","- C14 H15 Cl Cu N2 O6 -","- C112 H120 Cl8 Cu8 N16 O48 -","8","1","","Jena, Himanshu Sekhar","Effect of non-covalent interaction on the diastereoselective self-assembly of Cu(ii) complexes containing a racemic Schiff base in a chiral self-discriminating process","New Journal of Chemistry","2014","38","6","2486","","10.1039/c3nj01547e","","","0.71073","MoKα","","0.0525","0.0525","","","0.1845","0.1845","","","","","","1.006","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054247","20.096","0.0016","7.3459","0.0005","23.542","0.002","90","","127.245","0.006","90","","2766.6","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Cu2 N10 O2 -","- C28 H26 Cu2 N10 O2 -","- C112 H104 Cu8 N40 O8 -","4","0.5","","Jena, Himanshu Sekhar","Effect of non-covalent interaction on the diastereoselective self-assembly of Cu(ii) complexes containing a racemic Schiff base in a chiral self-discriminating process","New Journal of Chemistry","2014","38","6","2486","","10.1039/c3nj01547e","","","0.71073","MoKα","","0.0566","0.0457","","","0.1285","0.1383","","","","","","1.009","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054248","7.539","0.0004","18.0643","0.0009","11.6901","0.0006","90","","109.23","0.003","90","","1503.21","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cu2 N6 O2 S2 -","- C30 H26 Cu2 N6 O2 S2 -","- C60 H52 Cu4 N12 O4 S4 -","2","0.5","","Jena, Himanshu Sekhar","Effect of non-covalent interaction on the diastereoselective self-assembly of Cu(ii) complexes containing a racemic Schiff base in a chiral self-discriminating process","New Journal of Chemistry","2014","38","6","2486","","10.1039/c3nj01547e","","","0.71073","MoKα","","0.1618","0.0425","","","0.0755","0.0925","","","","","","1.004","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054249","7.9869","0.0004","16.1585","0.0007","10.9541","0.0005","90","","99.58","0.002","90","","1393.98","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cu N3 O2 -","- C15 H13 Cu N3 O2 -","- C60 H52 Cu4 N12 O8 -","4","1","","Jena, Himanshu Sekhar","Effect of non-covalent interaction on the diastereoselective self-assembly of Cu(ii) complexes containing a racemic Schiff base in a chiral self-discriminating process","New Journal of Chemistry","2014","38","6","2486","","10.1039/c3nj01547e","","","0.71073","MoKα","","0.043","0.0305","","","0.0833","0.09","","","","","","1.045","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054250","13.7348","0.001","11.2507","0.0007","34.837","0.003","90","","91.443","0.004","90","","5381.5","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H80 Co2 N16 O22 S3 -","- C24 H80 Co2 N16 O22 S3 -","- C96 H320 Co8 N64 O88 S12 -","4","0.5","","Ribeiro, Susana; Cunha-Silva, Luís; Balula, Salete S.; Gago, Sandra","Cobalt(iii) sepulchrate complexes: application as sustainable oxidative catalysts","New Journal of Chemistry","2014","38","6","2500","","10.1039/c4nj00120f","","","0.71073","MoKα","","0.0604","0.0492","","","0.1116","0.1165","","","","","","1.055","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054251","27.553","0.003","7.7658","0.0008","17.6413","0.0018","90","","110.441","0.002","90","","3537","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 F3 N O2 -","- C20 H16 F3 N O2 -","- C160 H128 F24 N8 O16 -","8","1","","Li, Bao-Le; Zhang, Mo; Hu, Hai-Chuan; Du, Xia; Zhang, Zhan-Hui","Nano-CoFe2O4 supported molybdenum as an efficient and magnetically recoverable catalyst for a one-pot, four-component synthesis of functionalized pyrroles","New Journal of Chemistry","2014","38","6","2435","","10.1039/c3nj01368e","","","0.71073","MoKα","","0.0746","0.061","","","0.1761","0.1926","","","","","","1.045","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054252","12.439","0.0007","12.439","0.0007","5.599","0.0009","90","","90","","120","","750.26","0.13","180","2","180","","","","","","","","synthesis as described","4","P 32","P 32","145","","","","- C9 H F9 N2 -","- C9 H F9 N2 -","- C27 H3 F27 N6 -","3","1","","Muñoz, Bianca K.; Ojo, Wilfried-Solo; Jacob, Kane; Romero, Nuria; Vendier, Laure; Despagnet-Ayoub, Emmanuelle; Etienne, Michel","Perfluorinated 1H-indazoles and hydrotris(indazol-1-yl)borates. Supramolecular organization and a new synthetic procedure to form scorpionate ligands","New Journal of Chemistry","2014","38","6","2451","","10.1039/c4nj00136b","","","0.71073","MoKα","","0.0649","0.0637","","","0.1567","0.1579","","","","","","1.091","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054253","5.1335","0.0003","9.1624","0.0005","24.825","0.0015","90","","90","","90","","1167.65","0.12","180","2","180","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H F11 N2 -","- C10 H F11 N2 -","- C40 H4 F44 N8 -","4","1","","Muñoz, Bianca K.; Ojo, Wilfried-Solo; Jacob, Kane; Romero, Nuria; Vendier, Laure; Despagnet-Ayoub, Emmanuelle; Etienne, Michel","Perfluorinated 1H-indazoles and hydrotris(indazol-1-yl)borates. Supramolecular organization and a new synthetic procedure to form scorpionate ligands","New Journal of Chemistry","2014","38","6","2451","","10.1039/c4nj00136b","","","0.71073","MoKα","","0.0478","0.0362","","","0.0907","0.0978","","","","","","1.099","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054254","9.3577","0.0005","5.1436","0.0002","27.2757","0.0012","90","","99.507","0.005","90","","1294.81","0.1","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H F13 N2 -","- C11 H F13 N2 -","- C44 H4 F52 N8 -","4","1","","Muñoz, Bianca K.; Ojo, Wilfried-Solo; Jacob, Kane; Romero, Nuria; Vendier, Laure; Despagnet-Ayoub, Emmanuelle; Etienne, Michel","Perfluorinated 1H-indazoles and hydrotris(indazol-1-yl)borates. Supramolecular organization and a new synthetic procedure to form scorpionate ligands","New Journal of Chemistry","2014","38","6","2451","","10.1039/c4nj00136b","","x-ray","0.71073","MoKα","","0.0508","0.0416","","","0.1087","0.1137","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054255","14.1749","0.0009","6.3085","0.0005","18.2579","0.0016","90","","99.598","0.008","90","","1609.8","0.2","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H F17 N2 -","- C13 H F17 N2 -","- C52 H4 F68 N8 -","4","1","","Muñoz, Bianca K.; Ojo, Wilfried-Solo; Jacob, Kane; Romero, Nuria; Vendier, Laure; Despagnet-Ayoub, Emmanuelle; Etienne, Michel","Perfluorinated 1H-indazoles and hydrotris(indazol-1-yl)borates. Supramolecular organization and a new synthetic procedure to form scorpionate ligands","New Journal of Chemistry","2014","38","6","2451","","10.1039/c4nj00136b","","x-ray","0.71073","MoKα","","0.1125","0.0517","","","0.1237","0.1395","","","","","","0.863","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054256","12.749","0.0012","13.03","0.0011","14.409","0.0013","97.161","0.004","114.95","0.004","111.09","0.004","1913.7","0.3","180","2","180","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C61 H4 B2 Cl2 F66 N12 Tl2 -","- C61 H4 B2 Cl2 F66 N12 Tl2 -","- C61 H4 B2 Cl2 F66 N12 Tl2 -","1","0.5","","Muñoz, Bianca K.; Ojo, Wilfried-Solo; Jacob, Kane; Romero, Nuria; Vendier, Laure; Despagnet-Ayoub, Emmanuelle; Etienne, Michel","Perfluorinated 1H-indazoles and hydrotris(indazol-1-yl)borates. Supramolecular organization and a new synthetic procedure to form scorpionate ligands","New Journal of Chemistry","2014","38","6","2451","","10.1039/c4nj00136b","","","0.71073","MoKα","","0.0668","0.038","","","0.0876","0.1252","","","","","","1.172","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054257","22.126","0.004","22.126","0.004","6.012","0.002","90","","90","","90","","2943.2","1.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H13 Ag N2 S2 -","- C14 H13 Ag N2 S2 -","- C112 H104 Ag8 N16 S16 -","8","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai","Influence of ligand environment on the structure and properties of silver(i) dithiocarbamate cluster-based coordination polymers and dimers","New Journal of Chemistry","2014","38","9","4478","","10.1039/C4NJ00580E","","","0.71073","MoKα","","0.173","0.0921","","","0.243","0.3107","","","","","","0.867","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054258","22.201","0.004","22.201","0.004","5.971","0.002","90","","90","","90","","2943","1.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C13 H12 Ag N3 S2 -","- C13 H12 Ag N3 S2 -","- C104 H96 Ag8 N24 S16 -","8","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai","Influence of ligand environment on the structure and properties of silver(i) dithiocarbamate cluster-based coordination polymers and dimers","New Journal of Chemistry","2014","38","9","4478","","10.1039/C4NJ00580E","","","0.71073","MoKα","","0.1559","0.0802","","","0.1912","0.2383","","","","","","1.009","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054259","9.3502","0.0005","17.4738","0.001","17.3742","0.0011","90","","90.395","0.005","90","","2838.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 Ag2 N4 P2 S4 -","- C64 H56 Ag2 N4 P2 S4 -","- C128 H112 Ag4 N8 P4 S8 -","2","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai","Influence of ligand environment on the structure and properties of silver(i) dithiocarbamate cluster-based coordination polymers and dimers","New Journal of Chemistry","2014","38","9","4478","","10.1039/C4NJ00580E","","","0.71073","MoKα","","0.0694","0.0461","","","0.0846","0.092","","","","","","1.016","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054260","9.3011","0.0003","17.7718","0.0007","17.3865","0.0007","90","","90.886","0.003","90","","2873.6","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H54 Ag2 N6 P2 S4 -","- C62 H54 Ag2 N6 P2 S4 -","- C124 H108 Ag4 N12 P4 S8 -","2","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai","Influence of ligand environment on the structure and properties of silver(i) dithiocarbamate cluster-based coordination polymers and dimers","New Journal of Chemistry","2014","38","9","4478","","10.1039/C4NJ00580E","","","0.71073","MoKα","","0.1006","0.055","","","0.0911","0.1023","","","","","","1.014","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054261","15.996","0.003","14.115","0.003","16.603","0.003","90","","113.26","0.03","90","","3444","1.4","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 F18 Gd N2 O9 -","- C25 H22 F18 Gd N2 O9 -","- C100 H88 F72 Gd4 N8 O36 -","4","1","","Hu, Peng; Sun, Zan; Wang, Xiufeng; Li, Licun; Liao, Daizheng; Luneau, Dominique","Magnetic relaxation in mononuclear Tb complex involving a nitronyl nitroxide ligand","New J. Chem.","2014","38","10","4716","","10.1039/C4NJ00627E","","","0.71073","MoKα","","0.0295","0.026","","","0.062","0.0636","","","","","","1.064","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054262","15.978","0.003","14.13","0.003","16.588","0.003","90","","113.08","0.03","90","","3445.3","1.4","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 F18 N2 O9 Tb -","- C25 H22 F18 N2 O9 Tb -","- C100 H88 F72 N8 O36 Tb4 -","4","1","","Hu, Peng; Sun, Zan; Wang, Xiufeng; Li, Licun; Liao, Daizheng; Luneau, Dominique","Magnetic relaxation in mononuclear Tb complex involving a nitronyl nitroxide ligand","New J. Chem.","2014","38","10","4716","","10.1039/C4NJ00627E","","","0.71073","MoKα","","0.0263","0.0238","","","0.0583","0.0596","","","","","","0.996","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054263","9.3542","0.0014","11.1933","0.0016","11.963","0.0018","62.314","0.011","68.905","0.012","73.544","0.011","1024.6","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N5 O7 Pb -","- C18 H15 N5 O7 Pb -","- C36 H30 N10 O14 Pb2 -","2","1","","Hashemi, Lida; Morsali, Ali; Marandi, Farzin; Pantenburg, Ingo; Azhdari Tehrani, Alireza","Dynamic crystal-to-crystal transformation of 1D to 2D lead(ii) coordination polymers by de- and rehydration with no change in the morphology of nano-particles","New Journal of Chemistry","2014","38","8","3375","","10.1039/C4NJ00096J","","","0.71073","MoKα","","0.0569","0.0484","","","0.1311","0.1403","","","","","","1.088","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054264","8.4302","0.0005","23.8152","0.0015","36.666","0.002","90","","90","","90","","7361.3","0.8","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H6 F6 N2 S -","- C11 H6 F6 N2 S -","- C264 H144 F144 N48 S24 -","24","6","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.0381","0.0358","","","0.087","0.0882","","","","","","1.082","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054265","7.4408","0.0008","20.454","0.002","7.1759","0.0008","90","","91.0376","0.0014","90","","1092","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Cl3 N2 S -","- C9 H5 Cl3 N2 S -","- C36 H20 Cl12 N8 S4 -","4","1","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.0283","0.0276","","","0.0722","0.0728","","","","","","1.128","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054266","7.2383","0.0006","7.9459","0.0007","22.324","0.002","90","","93.075","0.001","90","","1282.11","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O3 S -","- C12 H14 N2 O3 S -","- C48 H56 N8 O12 S4 -","4","1","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.0745","0.0426","","","0.0914","0.1042","","","","","","1.049","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054267","13.747","0.005","12.625","0.004","13.632","0.005","90","","106.496","0.005","90","","2268.5","1.4","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 N3 O3 S -","- C10 H9 N3 O3 S -","- C80 H72 N24 O24 S8 -","8","1","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.055","0.0449","","","0.1128","0.1182","","","","","","1.12","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054268","12.5507","0.0013","13.4265","0.0014","21.715","0.002","90","","98.92","0.002","90","","3615","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 F6 N2 O2 S -","- C15 H18 F6 N2 O2 S -","- C120 H144 F48 N16 O16 S8 -","8","2","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.0844","0.0509","","","0.1153","0.1331","","","","","","1.019","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054269","6.769","0.002","23.886","0.008","10.834","0.004","90","","90.947","0.005","90","","1751.4","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cl3 N2 O2 S -","- C13 H17 Cl3 N2 O2 S -","- C52 H68 Cl12 N8 O8 S4 -","4","1","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.0991","0.0505","","","0.0986","0.1151","","","","","","1.015","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054270","10.344","0.003","12.952","0.004","13.814","0.004","95.357","0.004","95.836","0.004","92.996","0.004","1829.5","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 N2 O5 S -","- C16 H26 N2 O5 S -","- C64 H104 N8 O20 S4 -","4","2","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.1013","0.0498","","","0.1144","0.1356","","","","","","1.027","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054271","13.241","0.004","15.16","0.004","8.398","0.002","90","","101.009","0.004","90","","1654.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N3 O5 S -","- C14 H21 N3 O5 S -","- C56 H84 N12 O20 S4 -","4","1","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.1648","0.0558","","","0.0641","0.0834","","","","","","1.003","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054272","7.806","0.0004","12.1582","0.0006","20.5067","0.001","90.072","0.004","91.404","0.004","108.25","0.004","1847.69","0.16","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 N12 O6 Pb2 S2 -","- C30 H28 N12 O6 Pb2 S2 -","- C60 H56 N24 O12 Pb4 S4 -","2","1","","Hashemi, Lida; Morsali, Ali; Büyükgüngor, Orhan","Anion influence on transformations of a nonporous 3D to porous 3D coordination polymer","New Journal of Chemistry","2014","","","","","10.1039/c4nj00175c","","","0.71073","MoKα","","0.0381","0.0278","","","0.0626","0.0658","","","","","","1.009","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054273","16.3972","0.0005","14.1233","0.0003","20.3576","0.0006","90","","109.2","0.002","90","","4452.2","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N12 Pb2 S4 -","- C32 H28 N12 Pb2 S4 -","- C128 H112 N48 Pb8 S16 -","4","1","","Hashemi, Lida; Morsali, Ali; Büyükgüngor, Orhan","Anion influence on transformations of a nonporous 3D to porous 3D coordination polymer","New Journal of Chemistry","2014","","","","","10.1039/c4nj00175c","","","0.71073","MoKα","","0.0774","0.0548","","","0.1058","0.113","","","","","","1.128","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054274","12.1441","0.0007","13.9323","0.0008","14.4271","0.0008","90","","113.548","0.003","90","","2237.7","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Mn2 N14 O5 -","- C50 H40 Mn2 N14 O5 -","- C100 H80 Mn4 N28 O10 -","2","0.5","","Das, Sudipta; Banerjee, Arnab; Lohar, Sisir; Sarkar, Bidisha; Mukhopadhyay, Subhra Kanti; Matalobos, Jesús Sanmartín; Sahana, Animesh; Das, Debasis","2-(2-Pyridyl) benzimidazole-based ternary Mn(ii) complex as an arsenate selective turn-on fluorescence probe: ppb level determination and cell imaging studies","New Journal of Chemistry","2014","38","7","2744","","10.1039/c3nj01514a","","x-ray","0.7107","MoKα","","0.0995","0.0596","","","0.1197","0.1377","","","","","","1.019","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054275","11.1735","0.0015","11.7304","0.0013","17.822","0.003","100.46","0.008","99.693","0.009","107.086","0.006","2133.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C101 H97 Cl3 N6 O8 -","- C101 H93 Cl3 N6 O8 -","- C101 H93 Cl3 N6 O8 -","1","0.5","","Collins, Carleton G.; Johnson, Andrew T.; Connell, Richard D.; Nelson, Ruth A.; Murgu, Ivan; Oliver, Allen G.; Smith, Bradley D.","Effect of 1,3-adamantane bridging units within the surrounding macrocycle of squaraine rotaxanes","New Journal of Chemistry","2014","38","8","3992","","10.1039/C4NJ00726C","","","0.7749","synchrotron","","0.1785","0.122","","","0.3117","0.349","","","","","","1.087","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054276","7.3552","0.0005","18.8781","0.0008","21.2531","0.0015","90","","90","","90","","2951","0.3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H15 Br2 N2 O2 -","- C13 H15 Br2 N2 O2 -","- C104 H120 Br16 N16 O16 -","8","2","","Önal, Emel; Yerli, Yusuf; Cosut, Bunyemin; Pilet, Guillaume; Ahsen, Vefa; Luneau, Dominique; Hirel, Catherine","Nitronyl and imino nitroxide free radicals as precursors of magnetic phthalocyanine and porphyrin building blocks","New Journal of Chemistry","2014","38","9","4440","","10.1039/C4NJ00574K","","","0.71073","MoKα","","0.0356","0.0334","","","0.0784","0.0791","","","","","","1.01","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054277","7.306","0.0004","18.7395","0.0009","20.9306","0.0011","90","","90","","90","","2865.6","0.3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H15 Br2 N2 O -","- C13 H15 Br2 N2 O -","- C104 H120 Br16 N16 O8 -","8","2","","Önal, Emel; Yerli, Yusuf; Cosut, Bunyemin; Pilet, Guillaume; Ahsen, Vefa; Luneau, Dominique; Hirel, Catherine","Nitronyl and imino nitroxide free radicals as precursors of magnetic phthalocyanine and porphyrin building blocks","New Journal of Chemistry","2014","38","9","4440","","10.1039/C4NJ00574K","","","0.71073","MoKα","","0.051","0.0366","","","0.0784","0.0838","","","","","","1.02","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054278","7.4256","0.001","16.678","0.003","11.512","0.002","90","","101.259","0.003","90","","1398.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Br N3 O2 -","- C14 H15 Br N3 O2 -","- C56 H60 Br4 N12 O8 -","4","1","","Önal, Emel; Yerli, Yusuf; Cosut, Bunyemin; Pilet, Guillaume; Ahsen, Vefa; Luneau, Dominique; Hirel, Catherine","Nitronyl and imino nitroxide free radicals as precursors of magnetic phthalocyanine and porphyrin building blocks","New Journal of Chemistry","2014","38","9","4440","","10.1039/C4NJ00574K","","","0.71073","MoKα","","0.0434","0.0365","","","0.0909","0.0944","","","","","","1.047","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054279","6.177","0.005","13.704","0.005","21.888","0.005","90","0.005","94.245","0.005","90","0.005","1847.7","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N2 O3 -","- C19 H27 N2 O3 -","- C76 H108 N8 O12 -","4","1","","Önal, Emel; Yerli, Yusuf; Cosut, Bunyemin; Pilet, Guillaume; Ahsen, Vefa; Luneau, Dominique; Hirel, Catherine","Nitronyl and imino nitroxide free radicals as precursors of magnetic phthalocyanine and porphyrin building blocks","New Journal of Chemistry","2014","38","9","4440","","10.1039/C4NJ00574K","","","0.71073","MoKα","","0.0879","0.0657","","","0.1676","0.1876","","","","","","0.988","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054280","20.3823","0.0013","10.5171","0.0004","15.1002","0.0009","90","","120.961","0.008","90","","2775.7","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cu4 N9 -","- C25 H20 Cu4 N9 -","- C100 H80 Cu16 N36 -","4","0.5","","Trivedi, Manoj; Ujjain, Sanjeev kumar; Sharma, Raj Kishore; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","A cyano-bridged copper(ii)‒copper(i) mixed-valence coordination polymer as a source of copper oxide nanoparticles with catalytic activity in C‒N, C‒O and C‒S cross-coupling reactions","New Journal of Chemistry","2014","38","9","4267","","10.1039/C4NJ00829D","","","0.71073","MoKα","","0.0419","0.0333","","","0.0796","0.0839","","","","","","1.064","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054281","11.2558","0.0007","11.4911","0.0007","15.6438","0.0009","70.633","0.001","82.699","0.001","64.073","0.001","1716.39","0.18","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 F6 N2 O S2 -","- C39 H36 F6 N2 O S2 -","- C78 H72 F12 N4 O2 S4 -","2","1","","Tatsumi, Yuto; Fujinaga, Noriko; Kasuno, Megumi; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","A photo- and halochromic multicolor switching system consisting of diarylethene and malachite green moieties","New J. Chem.","2014","38","12","5706","","10.1039/C4NJ00434E","","","0.71073","MoKα","","0.0637","0.054","","","0.1186","0.1239","","","","","","1.108","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054282","19.644","0.004","14.872","0.002","14.938","0.002","90","","110.31","0.02","90","","4092.7","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74.6 H76.4 Fe Mn4 N14 O13.6 -","- C74.6 H69.8 Fe Mn4 N14 O13.6 -","- C149.2 H139.6 Fe2 Mn8 N28 O27.2 -","2","0.5","","Kopotkov, Vyacheslav A.; Yagubskii, Eduard B.; Simonov, Sergey V.; Zorina, Leokadiya V.; Starichenko, Denis V.; Korolyov, Alexander V.; Ustinov, Vladimir V.; Shvachko, Yuri N.","Heterometallic complexes combining [MnIII(salpn)]+and [Fe(CN)6]4−units as the products of reactions between [MnIII(salpn)(H2O)C(CN)3] and [Fe(CN)6]3−/4−","New Journal of Chemistry","2014","38","9","4167","","10.1039/C4NJ00427B","","","0.71073","MoKα","","0.1349","0.0722","","","0.1455","0.1695","","","","","","1.004","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054283","13.392","0.004","17.417","0.006","24.344","0.007","90","","102.555","0.007","90","","5542","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C116 H108 Fe Mn6 N24 O18 -","- C116 H108 Fe Mn6 N24 O18 -","- C232 H216 Fe2 Mn12 N48 O36 -","2","0.5","","Kopotkov, Vyacheslav A.; Yagubskii, Eduard B.; Simonov, Sergey V.; Zorina, Leokadiya V.; Starichenko, Denis V.; Korolyov, Alexander V.; Ustinov, Vladimir V.; Shvachko, Yuri N.","Heterometallic complexes combining [MnIII(salpn)]+and [Fe(CN)6]4−units as the products of reactions between [MnIII(salpn)(H2O)C(CN)3] and [Fe(CN)6]3−/4−","New Journal of Chemistry","2014","38","9","4167","","10.1039/C4NJ00427B","","","0.71073","MoKα","","0.1179","0.0491","","","0.102","0.132","","","","","","1.011","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054284","22.9655","0.0004","22.9655","0.0004","22.9655","0.0004","90","","90","","90","","12112.3","0.4","120","2","120","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C112 H132 Cl2 Fe Mn6 N18 O34 -","- C112.02 H126.06 Cl2 Fe Mn6 N18 O33.98 -","- C448.08 H504.24 Cl8 Fe4 Mn24 N72 O135.92 -","4","0.166667","","Kopotkov, Vyacheslav A.; Yagubskii, Eduard B.; Simonov, Sergey V.; Zorina, Leokadiya V.; Starichenko, Denis V.; Korolyov, Alexander V.; Ustinov, Vladimir V.; Shvachko, Yuri N.","Heterometallic complexes combining [MnIII(salpn)]+and [Fe(CN)6]4−units as the products of reactions between [MnIII(salpn)(H2O)C(CN)3] and [Fe(CN)6]3−/4−","New Journal of Chemistry","2014","38","9","4167","","10.1039/C4NJ00427B","","","0.71073","MoKα","","0.0467","0.0394","","","0.1044","0.1091","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054285","11.2004","0.0012","11.8057","0.0013","11.9727","0.0013","90","","107.72","0.002","90","","1508","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H23 N2 P S2 -","- C11 H23 N2 P S2 -","- C44 H92 N8 P4 S8 -","4","1","","Rojas-Montoya, Iván D.; Santana-Silva, Alicia; García-Montalvo, Verónica; Muñoz-Hernández, Miguel-Ángel; Rivera, Margarita","N-(Chalcogen)phosphorylated (chalcogen)ureas of zinc and cadmium(ii): SSPs for group 12‒16 thin films","New J. Chem.","2014","38","10","4702","","10.1039/C4NJ00482E","","","0.71073","MoKα","","0.0427","0.0373","","","0.1032","0.1063","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054286","15.324","0.003","15.069","0.003","13.756","0.003","90","","101.624","0.004","90","","3111.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H44 N4 P2 S4 Zn -","- C22 H44 N4 P2 S4 Zn -","- C88 H176 N16 P8 S16 Zn4 -","4","1","","Rojas-Montoya, Iván D.; Santana-Silva, Alicia; García-Montalvo, Verónica; Muñoz-Hernández, Miguel-Ángel; Rivera, Margarita","N-(Chalcogen)phosphorylated (chalcogen)ureas of zinc and cadmium(ii): SSPs for group 12‒16 thin films","New J. Chem.","2014","38","10","4702","","10.1039/C4NJ00482E","","","0.71073","MoKα","","0.0704","0.0459","","","0.0945","0.0986","","","","","","0.988","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054287","10.3217","0.0019","11.081","0.002","13.944","0.003","79.689","0.003","86.905","0.003","64.54","0.003","1416.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H44 N4 O2 P2 S2 Zn -","- C22 H44 N4 O2 P2 S2 Zn -","- C44 H88 N8 O4 P4 S4 Zn2 -","2","1","","Rojas-Montoya, Iván D.; Santana-Silva, Alicia; García-Montalvo, Verónica; Muñoz-Hernández, Miguel-Ángel; Rivera, Margarita","N-(Chalcogen)phosphorylated (chalcogen)ureas of zinc and cadmium(ii): SSPs for group 12‒16 thin films","New J. Chem.","2014","38","10","4702","","10.1039/C4NJ00482E","","","0.71073","MoKα","","0.0441","0.0413","","","0.1076","0.1092","","","","","","1.076","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054288","10.5894","0.0014","13.785","0.0019","16.051","0.002","64.633","0.002","73.929","0.002","68.548","0.002","1950.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 N4 P2 S4 Zn -","- C36 H40 N4 P2 S4 Zn -","- C72 H80 N8 P4 S8 Zn2 -","2","1","","Rojas-Montoya, Iván D.; Santana-Silva, Alicia; García-Montalvo, Verónica; Muñoz-Hernández, Miguel-Ángel; Rivera, Margarita","N-(Chalcogen)phosphorylated (chalcogen)ureas of zinc and cadmium(ii): SSPs for group 12‒16 thin films","New J. Chem.","2014","38","10","4702","","10.1039/C4NJ00482E","","","0.71073","MoKα","","0.0614","0.0365","","","0.0694","0.0741","","","","","","0.841","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054289","9.689","0.003","10.542","0.003","16.813","0.005","102.528","0.005","102.781","0.005","101.233","0.005","1580.8","0.8","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H44 Cd N4 P2 S2 Se2 -","- C22 H44 Cd N4 P2 S2 Se2 -","- C44 H88 Cd2 N8 P4 S4 Se4 -","2","1","","Rojas-Montoya, Iván D.; Santana-Silva, Alicia; García-Montalvo, Verónica; Muñoz-Hernández, Miguel-Ángel; Rivera, Margarita","N-(Chalcogen)phosphorylated (chalcogen)ureas of zinc and cadmium(ii): SSPs for group 12‒16 thin films","New J. Chem.","2014","38","10","4702","","10.1039/C4NJ00482E","","","0.71073","MoKα","","0.055","0.0384","","","0.0804","0.092","","","","","","0.995","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054290","15.304","0.004","15.485","0.004","16.753","0.004","95.535","0.003","96.166","0.003","90.366","0.003","3928.2","1.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H108 O18 S2 -","- C80 H108 O18 S2 -","- C160 H216 O36 S4 -","2","1","","Shamsutdinova, Nataliya A.; Podyachev, Sergey N.; Sudakova, Svetlana N.; Mustafina, Asiya R.; Zairov, Rustem R.; Burilov, Vladimir A.; Nizameev, Irek R.; Rizvanov, Ildar Kh.; Syakaev, Victor V.; Gabidullin, Bulat M.; Katsuba, Sergey A.; Gubaidullin, Aidar T.; Safiullin, Georgy M.; Dehaen, Wim","A facile synthetic route to convert Tb(iii) complexes of novel tetra-1,3-diketone calix[4]resorcinarene into hydrophilic luminescent colloids","New Journal of Chemistry","2014","38","9","4130","","10.1039/C4NJ00637B","","","0.71073","MoKα","","0.1671","0.0974","","","0.3062","0.3688","","","","","","1.177","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054291","9.443","0.005","12.262","0.007","14.799","0.008","90","","106.506","0.014","90","","1643","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Ag Cl N6 O4 S2 -","- C12 H8 Ag Cl N6 O4 S2 -","- C48 H32 Ag4 Cl4 N24 O16 S8 -","4","1","","Wang, Han; Yang, Jin; Mak, Thomas C. W.","Supramolecular silver(i) coordination isomers of different dimensionalities assembled using a conformationally flexible multidentate oligo-α-sulfanylpyrazinyl ligand","New J. Chem.","2014","38","10","4690","","10.1039/C4NJ00836G","","","0.71073","MoKα","","0.0743","0.0504","","","0.115","0.127","","","","","","1.05","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054292","8.6058","0.0017","13.283","0.003","14.427","0.003","90","","90","","90","","1649.2","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Ag Cl N6 O4 S2 -","- C12 H8 Ag Cl N6 O4 S2 -","- C48 H32 Ag4 Cl4 N24 O16 S8 -","4","1","","Wang, Han; Yang, Jin; Mak, Thomas C. W.","Supramolecular silver(i) coordination isomers of different dimensionalities assembled using a conformationally flexible multidentate oligo-α-sulfanylpyrazinyl ligand","New J. Chem.","2014","38","10","4690","","10.1039/C4NJ00836G","","","0.71073","MoKα","","0.0241","0.0226","","","0.0631","0.0653","","","","","","1.01","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054293","7.4609","0.0005","13.3836","0.001","16.1104","0.0012","90","","90","","90","","1608.7","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Ag Cl N6 O4 S2 -","- C12 H8 Ag Cl N6 O4 S2 -","- C48 H32 Ag4 Cl4 N24 O16 S8 -","4","1","","Wang, Han; Yang, Jin; Mak, Thomas C. W.","Supramolecular silver(i) coordination isomers of different dimensionalities assembled using a conformationally flexible multidentate oligo-α-sulfanylpyrazinyl ligand","New J. Chem.","2014","38","10","4690","","10.1039/C4NJ00836G","","","0.71073","MoKα","","0.0548","0.0461","","","0.1104","0.1163","","","","","","0.991","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054294","17.3212","0.0008","8.3276","0.0004","17.9892","0.0009","90","","111.922","0.001","90","","2407.2","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H28 Ag2 Cl2 N18 O10 S6 -","- C36 H28 Ag2 Cl2 N18 O10 S6 -","- C72 H56 Ag4 Cl4 N36 O20 S12 -","2","1","","Wang, Han; Yang, Jin; Mak, Thomas C. W.","Supramolecular silver(i) coordination isomers of different dimensionalities assembled using a conformationally flexible multidentate oligo-α-sulfanylpyrazinyl ligand","New J. Chem.","2014","38","10","4690","","10.1039/C4NJ00836G","","","0.71073","MoKα","","0.0906","0.0652","","","0.1515","0.1753","","","","","","1.046","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054295","12.929","0.006","13.466","0.006","15.957","0.007","90","","99.945","0.008","90","","2736","2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Cl Cu2 N7 O5 S2 -","- C20 H28 Cl Cu2 N7 O5 S2 -","- C80 H112 Cl4 Cu8 N28 O20 S8 -","4","1","","Zheng, Kang; Liu, Fang; Xu, Xiao-Mei; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Synthesis, structure and molecular docking studies of dicopper(ii) complexes bridged by N-phenolato-N′-[2-(dimethylamino)ethyl]oxamide: the influence of terminal ligands on cytotoxicity and reactivity towards DNA and protein BSA","New Journal of Chemistry","2014","38","7","2964","","10.1039/c4nj00092g","","","0.71073","MoKα","","0.1033","0.0464","","","0.0956","0.1132","","","","","","0.995","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054296","11.93","0.003","15.205","0.004","20.892","0.006","99.53","0.03","95.53","0.03","111.98","0.03","3413.4","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.25 H76 Cl3 Co4 Gd N16 O30.75 -","- C36 H68 Cl3 Co4 Gd N16 O28 -","- C72 H136 Cl6 Co8 Gd2 N32 O56 -","2","1","","Premužić, Dejan; Muche, Simon; Hołyńska, Małgorzata","Unprecedented non-cytotoxic [CoIII4LnIII]-core complexes with a tripodal oxime ligand ‒ synthesis, structure, properties and potential applications","New Journal of Chemistry","2014","38","7","2894","","10.1039/c4nj00194j","","","0.71073","MoKα","","0.1863","0.0791","","","0.1122","0.1315","","","","","","0.892","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7054297","12.073","0.003","15.138","0.004","20.883","0.005","99.85","0.03","94.4","0.03","111.71","0.03","3452.5","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.2 H74.6 Cl4 Co4 N16 O33.6 Sm -","- C36 H69 Cl4 Co4 N16 O32 Sm -","- C72 H138 Cl8 Co8 N32 O64 Sm2 -","2","1","","Premužić, Dejan; Muche, Simon; Hołyńska, Małgorzata","Unprecedented non-cytotoxic [CoIII4LnIII]-core complexes with a tripodal oxime ligand ‒ synthesis, structure, properties and potential applications","New Journal of Chemistry","2014","38","7","2894","","10.1039/c4nj00194j","","","0.71073","MoKα","","0.1736","0.0627","","","0.0997","0.118","","","","","","0.687","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7054298","7.7031","0.0007","17.8226","0.0019","16.0433","0.0016","90","","90.717","0.006","90","","2202.4","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N4 O3 S -","- C23 H24 N4 O3 S -","- C92 H96 N16 O12 S4 -","4","1","","Luxami, Vijay; Gupta, Akul Sen; Paul, Kamaldeep","Dansyl‒antipyrine dyad as a fluorescent sensor for Cu2+ and F−: sequential XNOR logic operation","New Journal of Chemistry","2014","38","7","2841","","10.1039/c4nj00060a","","","0.71073","MoKα","","0.0788","0.0429","","","0.1019","0.1196","","","","","","0.971","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054299","14.799","0.002","21.032","0.003","32.997","0.005","90","","92.249","0.01","90","","10262","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H64 Gd4 N20 O20 -","- C86 H64 Gd4 N20 O20 -","- C344 H256 Gd16 N80 O80 -","4","1","","Sheikh, Javeed Ahmad; Adhikary, Amit; Konar, Sanjit","Magnetic refrigeration and slow magnetic relaxation in tetranuclear lanthanide cages (Ln = Gd, Dy) with in situ ligand transformation","New Journal of Chemistry","2014","38","7","3006","","10.1039/c4nj00349g","","","0.71073","MoKα","","0.1276","0.0741","","","0.1763","0.196","","","","","","1.023","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054300","14.645","0.003","21.095","0.004","35.775","0.008","90","","112.012","0.015","90","","10247","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H58 Dy4 N20 O20 -","- C84 H58 Dy4 N20 O20 -","- C336 H232 Dy16 N80 O80 -","4","1","","Sheikh, Javeed Ahmad; Adhikary, Amit; Konar, Sanjit","Magnetic refrigeration and slow magnetic relaxation in tetranuclear lanthanide cages (Ln = Gd, Dy) with in situ ligand transformation","New Journal of Chemistry","2014","38","7","3006","","10.1039/c4nj00349g","","","0.71073","MoKα","","0.1224","0.076","","","0.1836","0.2041","","","","","","1.193","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054301","13.605","0.003","20.387","0.005","21.6","0.005","75.167","0.006","88.823","0.006","88.595","0.006","5789","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H46 Dy4 N10 O18 -","- C51 H46 Dy4 N10 O18 -","- C204 H184 Dy16 N40 O72 -","4","2","","Sheikh, Javeed Ahmad; Adhikary, Amit; Konar, Sanjit","Magnetic refrigeration and slow magnetic relaxation in tetranuclear lanthanide cages (Ln = Gd, Dy) with in situ ligand transformation","New Journal of Chemistry","2014","38","7","3006","","10.1039/c4nj00349g","","","0.71073","MoKα","","0.1351","0.0709","","","0.159","0.1923","","","","","","1.061","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054302","15.7839","0.0002","12.0002","0.0002","15.8813","0.0004","90","","96.187","0.01","90","","2990.56","0.11","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Ag4 Cd2 N12 O2 -","- C16 H24 Ag4 Cd2 N12 O2 -","- C64 H96 Ag16 Cd8 N48 O8 -","4","1","","Korkmaz, Nesrin; Karadağ, Ahmet; Aydın, Ali; Yanar, Yusuf; Karaman, İsa; Tekin, Şaban","Synthesis and characterization of two novel dicyanidoargentate(i) complexes containing N-(2-hydroxyethyl)ethylenediamine exhibiting significant biological activity","New J. Chem.","2014","38","10","4760","","10.1039/C4NJ00851K","","x-ray","0.71073","MoKα","","0.0604","0.0482","","","0.1271","0.1381","","","","","","1.095","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054303","5.079","0.0004","12.8141","0.001","13.2671","0.0009","70.308","0.005","80.767","0.005","88.005","0.005","802.26","0.11","100","0.5","100","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C38 H38 N6 O6 -","2","1","","Davis, Aaron B.; Lambert, Rachel E.; Fronczek, Frank R.; Cragg, Peter J.; Wallace, Karl J.","An activated coumarin-enamine Michael acceptor for CN−","New J. Chem.","2014","38","10","4678","","10.1039/C4NJ00862F","","","1.54184","CuKα","","0.0545","0.0454","","","0.1301","0.141","","","","","","1.1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054304","10.5271","0.0009","10.7784","0.0009","10.9396","0.0009","68.855","0.004","65.795","0.004","78.787","0.005","1054.33","0.16","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Cl2 Cu2 N4 S4 -","- C14 H20 Cl2 Cu2 N4 S4 -","- C28 H40 Cl4 Cu4 N8 S8 -","2","1","","Mondal, Gopinath; Bera, Pradip; Santra, Ananyakumari; Jana, Sumanta; Mandal, Tarak Nath; Mondal, Anup; Seok, Sang Il; Bera, Pulakesh","Precursor-driven selective synthesis of hexagonal chalcocite (Cu2S) nanocrystals: structural, optical, electrical and photocatalytic properties","New J. Chem.","2014","38","10","4774","","10.1039/C4NJ00584H","","","0.71073","MoKα","","0.0599","0.0526","","","0.1342","0.142","","","","","","1.03","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054306","14.257","0.002","16.101","0.002","19.044","0.003","104.391","0.002","102.766","0.002","111.467","0.002","3697.2","0.9","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C14 H12 Cl18 Mn N9 O S -","- C14 H12 Cl18 Mn N9 O S -","- C56 H48 Cl72 Mn4 N36 O4 S4 -","4","4","","Shixaliyev, Namiq Q.; Gurbanov, Atash V.; Maharramov, Abel M.; Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Martins, Luísa M. D. R. S.; Muzalevskiy, Vasily M.; Nenajdenko, Valentine G.; Pombeiro, Armando J. L.","Halogen-bonded tris(2,4-bis(trichloromethyl)-1,3,5-triazapentadienato)-M(iii) [M = Mn, Fe, Co] complexes and their catalytic activity in the peroxidative oxidation of 1-phenylethanol to acetophenone","New J. Chem.","2014","38","10","4807","","10.1039/C4NJ00797B","","","0.71073","MoKα","","0.1573","0.0722","","","0.1074","0.122","","","","","","1.002","","","","has coordinates,has disorder","180097","2020-10-21","18:00:00",""
"7054307","10.0591","0.0004","13.5688","0.0005","16.6349","0.0006","79.467","0.001","76.064","0.001","75.132","0.001","2112.09","0.14","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H18 Cl18 Fe N9 O2 S2 -","- C16 H18 Cl18 Fe N9 O2 S2 -","- C32 H36 Cl36 Fe2 N18 O4 S4 -","2","1","","Shixaliyev, Namiq Q.; Gurbanov, Atash V.; Maharramov, Abel M.; Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Martins, Luísa M. D. R. S.; Muzalevskiy, Vasily M.; Nenajdenko, Valentine G.; Pombeiro, Armando J. L.","Halogen-bonded tris(2,4-bis(trichloromethyl)-1,3,5-triazapentadienato)-M(iii) [M = Mn, Fe, Co] complexes and their catalytic activity in the peroxidative oxidation of 1-phenylethanol to acetophenone","New J. Chem.","2014","38","10","4807","","10.1039/C4NJ00797B","","","0.71073","MoKα","","0.0993","0.0749","","","0.1718","0.1888","","","","","","1.005","","","","has coordinates,has disorder","180097","2020-10-21","18:00:00",""
"7054308","10.171","0.003","13.499","0.004","16.468","0.005","79.309","0.006","76.007","0.006","74.967","0.006","2100.6","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H18 Cl18 Co N9 O2 S2 -","- C16 H18 Cl18 Co N9 O2 S2 -","- C32 H36 Cl36 Co2 N18 O4 S4 -","2","1","","Shixaliyev, Namiq Q.; Gurbanov, Atash V.; Maharramov, Abel M.; Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Martins, Luísa M. D. R. S.; Muzalevskiy, Vasily M.; Nenajdenko, Valentine G.; Pombeiro, Armando J. L.","Halogen-bonded tris(2,4-bis(trichloromethyl)-1,3,5-triazapentadienato)-M(iii) [M = Mn, Fe, Co] complexes and their catalytic activity in the peroxidative oxidation of 1-phenylethanol to acetophenone","New J. Chem.","2014","38","10","4807","","10.1039/C4NJ00797B","","","0.71073","MoKα","","0.1234","0.077","","","0.1981","0.2395","","","","","","1.004","","","","has coordinates,has disorder","180097","2020-10-21","18:00:00",""
"7054309","7.558","0.001","9.2626","0.0013","10.536","0.0014","104.104","0.004","90.218","0.004","96.517","0.005","710.35","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H15 Cu N O9 -","- C10 H15 Cu N O9 -","- C20 H30 Cu2 N2 O18 -","2","1","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Synthesis, structure and catalytic applications of amidoterephthalate copper complexes in the diastereoselective Henry reaction in aqueous medium","New J. Chem.","2014","38","10","4837","","10.1039/C4NJ00878B","","","0.71073","MoKα","","0.0415","0.0386","","","0.1043","0.1095","","","","","","1.126","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054310","7.8968","0.0015","8.8683","0.0018","16.015","0.003","99.775","0.007","98.719","0.007","111.79","0.007","997.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H25 N3 O7 -","- C17 H25 N3 O7 -","- C34 H50 N6 O14 -","2","1","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Synthesis, structure and catalytic applications of amidoterephthalate copper complexes in the diastereoselective Henry reaction in aqueous medium","New J. Chem.","2014","38","10","4837","","10.1039/C4NJ00878B","","","0.71073","MoKα","","0.1473","0.0832","","","0.2266","0.2831","","","","","","1.011","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054311","8.2402","0.0004","15.2755","0.0008","9.6698","0.0005","90","","98.276","0.002","90","","1204.49","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O6 -","- C11 H13 N O6 -","- C44 H52 N4 O24 -","4","1","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Synthesis, structure and catalytic applications of amidoterephthalate copper complexes in the diastereoselective Henry reaction in aqueous medium","New J. Chem.","2014","38","10","4837","","10.1039/C4NJ00878B","","","0.71073","MoKα","","0.0778","0.0497","","","0.1254","0.1419","","","","","","1.017","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054312","7.4875","0.0003","9.4303","0.0003","10.4406","0.0004","78.225","0.002","84.542","0.003","83.261","0.002","714.78","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 Cu N O9 -","- C11 H17 Cu N O9 -","- C22 H34 Cu2 N2 O18 -","2","1","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Synthesis, structure and catalytic applications of amidoterephthalate copper complexes in the diastereoselective Henry reaction in aqueous medium","New J. Chem.","2014","38","10","4837","","10.1039/C4NJ00878B","","","0.71073","MoKα","","0.0553","0.0439","","","0.1047","0.1114","","","","","","1.059","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054313","7.3355","0.0005","9.7607","0.0007","19.5372","0.0014","97.873","0.005","94.801","0.004","104.46","0.004","1331.6","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H42 N2 O2 -","- C31 H42 N2 O2 -","- C62 H84 N4 O4 -","2","1","","N., Ahipa T.; Adhikari, Airody Vasudeva","2-Methoxypyridine derivatives: synthesis, liquid crystalline and photo-physical properties","New J. Chem.","2014","38","10","5018","","10.1039/C4NJ00911H","","","0.71073","MoKα","","0.1121","0.0588","","","0.1533","0.1736","","","","","","0.987","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054314","14.8343","0.0005","44.69","0.002","7.3614","0.0003","90","","90","","90","","4880.2","0.3","100","2","100","2","","","","","","","see text","5","A b a 2","A 2 -2ab","41","","","","- C48 H51 N4 O4 S2 -","- C48 H51 N4 O4 S2 -","- C192 H204 N16 O16 S8 -","4","","","N., Ahipa T.; Adhikari, Airody Vasudeva","2-Methoxypyridine derivatives: synthesis, liquid crystalline and photo-physical properties","New J. Chem.","2014","38","10","5018","","10.1039/C4NJ00911H","","x-ray","0.71073","MoKα","","0.1039","0.0844","","","0.2355","0.2599","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054315","11.8408","0.0014","12.4848","0.0015","12.5343","0.0015","61.61","0.002","71.862","0.002","70.647","0.002","1511.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H32 Cu5 N12 O44 P W12 -","- C24 H24 Cu5 N12 O44 P W12 -","- C24 H24 Cu5 N12 O44 P W12 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li; Zhang, Zhuanfang","A novel Cu12(pz)12loop-based coordination polymer templated by double-Keggin anions","New J. Chem.","2014","38","10","4963","","10.1039/C4NJ00867G","","","0.71073","MoKα","","0.0868","0.0819","","","0.219","0.2215","","","","","","1.177","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054316","11.763","0.002","12.496","0.003","23.866","0.005","90","","90","","90","","3508.1","1.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 Br3 Cl N9 Ni2 O7 -","- C27 H33 Br3 Cl N9 Ni2 O7 -","- C108 H132 Br12 Cl4 N36 Ni8 O28 -","4","1","","An, Guang-Yu; Wang, Hong-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Ferromagnetic versus antiferromagnetic exchange in oximato-bridged nickel(ii) complexes","New J. Chem.","2014","38","10","5037","","10.1039/C4NJ01055H","","","0.71073","MoKα","","0.0626","0.0372","","","0.0827","0.1109","","","","","","1.074","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054317","12.518","0.003","12.124","0.002","22.749","0.005","90","","93.34","0.03","90","","3446.7","1.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 B Br3 F4 N9 Ni2 O3 -","- C27 H33 B Br3 F4 N9 Ni2 O3 -","- C108 H132 B4 Br12 F16 N36 Ni8 O12 -","4","1","","An, Guang-Yu; Wang, Hong-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Ferromagnetic versus antiferromagnetic exchange in oximato-bridged nickel(ii) complexes","New J. Chem.","2014","38","10","5037","","10.1039/C4NJ01055H","","","0.71073","MoKα","","0.0951","0.0682","","","0.1986","0.2188","","","","","","1.128","","","","has coordinates,has disorder","180097","2020-10-21","18:00:00",""
"7054318","9.1157","0.0018","30.055","0.006","21.282","0.004","90","","93.25","0.03","90","","5821","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H71 B N12 Ni2 O6 -","- C54 H71 B N12 Ni2 O6 -","- C216 H284 B4 N48 Ni8 O24 -","4","1","","An, Guang-Yu; Wang, Hong-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Ferromagnetic versus antiferromagnetic exchange in oximato-bridged nickel(ii) complexes","New J. Chem.","2014","38","10","5037","","10.1039/C4NJ01055H","","","0.71073","MoKα","","0.0862","0.0561","","","0.1593","0.1804","","","","","","1.051","","","","has coordinates","198676","2020-10-21","18:00:00",""
"7054319","18.717","0.006","25.333","0.008","17.423","0.005","90","","99.435","0.006","90","","8149","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H76 Cl2 N26 Ni5 O19 -","- C52 H64 Cl2 N26 Ni5 O19 -","- C208 H256 Cl8 N104 Ni20 O76 -","4","0.5","","An, Guang-Yu; Wang, Hong-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Ferromagnetic versus antiferromagnetic exchange in oximato-bridged nickel(ii) complexes","New J. Chem.","2014","38","10","5037","","10.1039/C4NJ01055H","","","0.71073","MoKα","","0.112","0.0762","","","0.2229","0.269","","","","","","1.023","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054320","12.5179","0.0004","12.1239","0.0004","22.749","0.0007","90","","93.339","0.001","90","","3446.66","0.19","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 B Br3 F4 N9 Ni2 O3 -","- C27 H34 B Br3 F4 N9 Ni2 O3 -","- C108 H136 B4 Br12 F16 N36 Ni8 O12 -","4","1","","An, Guang-Yu; Wang, Hong-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Ferromagnetic versus antiferromagnetic exchange in oximato-bridged nickel(ii) complexes","New J. Chem.","2014","38","10","5037","","10.1039/C4NJ01055H","","","0.71073","MoKα","","0.0457","0.0357","","","0.0857","0.0912","","","","","","1.012","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7054342","16.0555","0.0006","24.2744","0.0009","25.2143","0.0012","90","","90","","90","","9827","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Bis(n-tetrabutylammonium)bis(tribenzonitrilesilver)decatungstate","Bis(n-tetrabutylammonium)bis(tribenzonitrilesilver)di-mu5-oxo -icosa-mu-oxo-decaoxodecatungstate","","- C74 H102 Ag2 N8 O32 W10 -","- C74 H102 Ag2 N8 O32 W10 -","- C296 H408 Ag8 N32 O128 W40 -","4","0.5","","Kulikov, Vladislav; Meyer, Gerd","Organoamine silver(i) decatungstate structures: remarkable chemoselectivity and the exploration of the intramolecular redox reaction upon thermolysis","New Journal of Chemistry","2014","38","8","3408","","10.1039/C4NJ00172A","","","0.71073","MoKα","","0.062","0.0463","","","0.1177","0.1291","","","","","","1.074","","","","has coordinates,has disorder","180097","2020-10-21","18:00:00",""
"7054343","11.0972","0.0004","13.397","0.0005","13.9852","0.0007","104.717","0.004","113.242","0.003","94.594","0.003","1809.31","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tetrakis(dibenzonitrilesiver(I))decatungstate","Tetrakis(dibenzonitrilesiver(I))di-mu5-oxo-icosa-mu-oxo-decaoxodecatungstate","","- C56 H40 Ag4 N8 O32 W10 -","- C56 H40 Ag4 N8 O32 W10 -","- C56 H40 Ag4 N8 O32 W10 -","1","0.5","","Kulikov, Vladislav; Meyer, Gerd","Organoamine silver(i) decatungstate structures: remarkable chemoselectivity and the exploration of the intramolecular redox reaction upon thermolysis","New Journal of Chemistry","2014","38","8","3408","","10.1039/C4NJ00172A","","","0.71073","MoKα","","0.0345","0.0301","","","0.0742","0.0767","","","","","","1.114","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054344","10.7971","0.0005","14.5","0.0006","20.1073","0.0008","97.929","0.003","93.069","0.003","110.612","0.003","2900.5","0.2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","Tetrakis(dibenzonitriletheobrominesilver(I))decatungstate benzonitrile","Tetrakis(dibenzonitriletheobrominesilver(I))di-mu5-oxo-icosa- mu-oxo-decaoxodecatungstate benzonitrile","","- C91 H77 Ag4 N25 O40 W10 -","- C91 H76 Ag4 N25 O40 W10 -","- C91 H76 Ag4 N25 O40 W10 -","1","0.5","","Kulikov, Vladislav; Meyer, Gerd","Organoamine silver(i) decatungstate structures: remarkable chemoselectivity and the exploration of the intramolecular redox reaction upon thermolysis","New Journal of Chemistry","2014","38","8","3408","","10.1039/C4NJ00172A","","","0.71073","MoKα","","0.095","0.044","","","0.0845","0.099","","","","","","0.846","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054371","22.468","0.002","22.468","0.002","13.1835","0.0015","90","","90","","90","","6655.2","1.1","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","DMBBTS","","","- C18 H14 S2 Si -","- C18 H14 S2 Si -","- C288 H224 S32 Si16 -","16","1","","Zhao, Yunfang; Hao, Wanglong; Ma, Wangjing; Zang, Zhanzhan; Zhang, Huarong; Liu, Xiaoxia; Zou, Sufen; Zhang, Haixia; Liu, Weichao; Gao, Jianhua","Easily-soluble heteroacene bis(benzothieno)silole derivatives for sensing of nitro explosives","New J. Chem.","2014","38","12","5754","","10.1039/C4NJ00913D","","","0.71073","MoKα","","0.0647","0.0468","","","0.1211","0.1369","","","","","","1.053","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054372","15.5429","0.0017","13.1602","0.0015","7.4458","0.0009","90","","90","","90","","1523","0.3","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","MDBTS","","","- C8.5 H5.5 S Si0.5 -","- C8.5 H6 S Si0.5 -","- C68 H48 S8 Si4 -","8","1","","Zhao, Yunfang; Hao, Wanglong; Ma, Wangjing; Zang, Zhanzhan; Zhang, Huarong; Liu, Xiaoxia; Zou, Sufen; Zhang, Haixia; Liu, Weichao; Gao, Jianhua","Easily-soluble heteroacene bis(benzothieno)silole derivatives for sensing of nitro explosives","New J. Chem.","2014","38","12","5754","","10.1039/C4NJ00913D","","","0.71073","MoKα","","0.0375","0.0342","","","0.097","0.1008","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054373","9.2863","0.0004","20.6105","0.001","16.7211","0.0007","90","","116.179","0.003","90","","2872","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H37 Co Cu2 N10 O7 -","- C18 H37 Co Cu2 N10 O7 -","- C72 H148 Co4 Cu8 N40 O28 -","4","1","","Korkmaz, Şengül Aslan; Karadağ, Ahmet; Yerli, Yusuf; Soylu, Mustafa Serkan","Synthesis and characterization of new heterometallic cyanido complexes based on [Co(CN)6]3−building blocks: crystal structure of [Cu2(N-bishydeten)2Co(CN)6]·3H2O having a strong antiferromagnetic exchange","New J. Chem.","2014","38","11","5402","","10.1039/C4NJ00737A","","","0.71073","MoKα","","0.0419","0.0304","","","0.073","0.0768","","","","","","1.017","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054374","19.708","0.003","19.708","0.003","30.193","0.004","90","","90","","120","","10156","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C144 H126.12 Mn6 N12 O54.12 -","- C144 H120.624 Mn6 N12 O50.114 -","- C432 H361.872 Mn18 N36 O150.342 -","3","0.166667","","Najafpour, Mohammad Mahdi; Amini, Mojtaba; Hołyńska, Małgorzata; Zare, Maryam; Amini, Emad","A hexanuclear manganese(ii) complex: synthesis, characterization and catalytic activity toward organic sulfide oxidation","New J. Chem.","2014","38","10","5069","","10.1039/C4NJ01159G","","","0.71073","MoKα","","0.0576","0.0293","","","0.0395","0.041","","","","","","1.002","","","","has coordinates,has disorder","180097","2020-10-21","18:00:00",""
"7054375","22.436","0.006","8.563","0.002","13.95","0.004","90","","104.135","0.004","90","","2598.9","1.2","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 N O Ru -","- C30 H24 N O Ru -","- C120 H96 N4 O4 Ru4 -","4","1","","Hirano, Masafumi; Okamoto, Takuya; Komine, Nobuyuki; Komiya, Sanshiro","Stoichiometric formation of conjugated dienyl ketones from 1,3-dienes and ketenes at a ruthenium(0) centre","New J. Chem.","2014","38","10","5052","","10.1039/C4NJ01001A","","","0.71075","MoKa","","","0.0549","","","","0.1513","","","","","","1.07","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054376","9.387","0.005","10.408","0.006","12.422","0.007","92.956","0.01","95.117","0.011","108.356","0.011","1143.2","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H66 Co2 N2 O13 -","- C43 H66 Co2 N2 O13 -","- C43 H66 Co2 N2 O13 -","1","0.5","","Dey, Suman Kr; Mukherjee, Arindam","The synthesis, characterization and catecholase activity of dinuclear cobalt(ii/iii) complexes of an O-donor rich Schiff base ligand","New J. Chem.","2014","38","10","4985","","10.1039/C4NJ00715H","","","0.71073","MoKα","","0.0949","0.0598","","","0.1512","0.1711","","","","","","1.046","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054377","10.6122","0.0006","10.7435","0.0005","20.9793","0.0013","85.602","0.004","76.259","0.005","86.473","0.004","2314.3","0.2","99.9","0.2","99.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H71 Co2 N2 O13 -","- C42 H71 Co2 N2 O13 -","- C84 H142 Co4 N4 O26 -","2","1","","Dey, Suman Kr; Mukherjee, Arindam","The synthesis, characterization and catecholase activity of dinuclear cobalt(ii/iii) complexes of an O-donor rich Schiff base ligand","New J. Chem.","2014","38","10","4985","","10.1039/C4NJ00715H","","x-ray","0.71073","MoKα","","0.1096","0.0929","","","0.2303","0.2388","","","","","","1.205","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054378","22.455","0.002","18.5888","0.0018","11.7828","0.0011","90","","92.547","0.002","90","","4913.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H74 Cl Co2 N4 O13 -","- C42 H66 Cl Co2 N4 O13 -","- C168 H264 Cl4 Co8 N16 O52 -","4","1","","Dey, Suman Kr; Mukherjee, Arindam","The synthesis, characterization and catecholase activity of dinuclear cobalt(ii/iii) complexes of an O-donor rich Schiff base ligand","New J. Chem.","2014","38","10","4985","","10.1039/C4NJ00715H","","","0.71073","MoKα","","0.0985","0.0575","","","0.1623","0.1798","","","","","","1.052","","","","has coordinates,has disorder","180097","2020-10-21","18:00:00",""
"7054379","9.117","0.002","9.526","0.002","13.852","0.004","75.04","0.004","82.077","0.005","88.665","0.003","1151.1","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H14 Br2 Fe K N6 O4 -","- C20 H14 Br2 Fe K N6 O4 -","- C40 H28 Br4 Fe2 K2 N12 O8 -","2","1","","Zhang, Daopeng; Zhuo, Shuping; Wang, Ping; Chen, Xia; Jiang, Jianzhuang","A new series of cyanide-bridged heterobimetallic FeIII‒FeIII/MnIII/CuIIone-dimensional complexes: synthesis, crystal structures, and magnetic properties","New J. Chem.","2014","38","11","5470","","10.1039/C4NJ00743C","","","0.71073","MoKα","","0.0611","0.0462","","","0.1317","0.1395","","","","","","1.071","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054380","10.253","0.002","10.435","0.003","20.21","0.005","90","","90","","90","","2162.3","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Br2 Fe N5 O3 -","- C20 H14 Br2 Fe N5 O3 -","- C80 H56 Br8 Fe4 N20 O12 -","4","1","","Zhang, Daopeng; Zhuo, Shuping; Wang, Ping; Chen, Xia; Jiang, Jianzhuang","A new series of cyanide-bridged heterobimetallic FeIII‒FeIII/MnIII/CuIIone-dimensional complexes: synthesis, crystal structures, and magnetic properties","New J. Chem.","2014","38","11","5470","","10.1039/C4NJ00743C","","","0.71073","MoKα","","0.1106","0.0703","","","0.162","0.1847","","","","","","1.06","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054381","10.512","0.002","11.55","0.003","18.177","0.004","105.308","0.003","102.816","0.004","101.004","0.003","2001.3","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H27 Br4 Fe Mn N8 O6 -","- C37 H23 Br4 Fe Mn N8 O6 -","- C74 H46 Br8 Fe2 Mn2 N16 O12 -","2","1","","Zhang, Daopeng; Zhuo, Shuping; Wang, Ping; Chen, Xia; Jiang, Jianzhuang","A new series of cyanide-bridged heterobimetallic FeIII‒FeIII/MnIII/CuIIone-dimensional complexes: synthesis, crystal structures, and magnetic properties","New J. Chem.","2014","38","11","5470","","10.1039/C4NJ00743C","","","0.71073","MoKα","","0.065","0.0478","","","0.1265","0.1383","","","","","","1.03","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054382","10.3171","0.0007","11.5913","0.0007","17.773","0.0016","102.52","0.001","102.07","0.001","104.978","0.001","1923.6","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H27 Br2 Cl2 Fe Mn N9 O4 -","- C39 H27 Br2 Cl2 Fe Mn N9 O4 -","- C78 H54 Br4 Cl4 Fe2 Mn2 N18 O8 -","2","1","","Zhang, Daopeng; Zhuo, Shuping; Wang, Ping; Chen, Xia; Jiang, Jianzhuang","A new series of cyanide-bridged heterobimetallic FeIII‒FeIII/MnIII/CuIIone-dimensional complexes: synthesis, crystal structures, and magnetic properties","New J. Chem.","2014","38","11","5470","","10.1039/C4NJ00743C","","","0.71073","MoKα","","0.047","0.0344","","","0.0897","0.0963","","","","","","1.049","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054383","10.8178","0.0014","13.1598","0.0017","14.3844","0.0018","78.246","0.002","71.433","0.002","86.186","0.002","1900.5","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H38 Br2 Cl Cu Fe N10 O7 -","- C31 H38 Br2 Cl Cu Fe N10 O7 -","- C62 H76 Br4 Cl2 Cu2 Fe2 N20 O14 -","2","1","","Zhang, Daopeng; Zhuo, Shuping; Wang, Ping; Chen, Xia; Jiang, Jianzhuang","A new series of cyanide-bridged heterobimetallic FeIII‒FeIII/MnIII/CuIIone-dimensional complexes: synthesis, crystal structures, and magnetic properties","New J. Chem.","2014","38","11","5470","","10.1039/C4NJ00743C","","","0.71073","MoKα","","0.0566","0.0395","","","0.1029","0.1127","","","","","","1.022","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054384","22.0227","0.0005","5.5302","0.0002","15.8613","0.0004","90","","102.984","0.002","90","","1882.36","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Anum, Faiza; Abbas, Asghar; Lo, Kong Mun; Rehman, Zia ur; Hameed, Shahid; Naseer, Muhammad Moazzam","Homologous 1,3,5-triarylpyrazolines: Synthesis, CH•••π interactions guided self-assembly and effect of alkyloxy chain length on DNA binding properties","New J. Chem.","2014","","","","","10.1039/C4NJ00938J","","","0.71073","MoKα","","0.1548","0.062","","","0.1215","0.1737","","","","","","1.021","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054385","16.417","0.003","5.4987","0.0009","9.0065","0.0016","90","","105.664","0.007","90","","782.8","0.2","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,3'-(ethane-1,2-diyl)bis(2,2-difluoro-2H-benzo[e][1,3,2]oxazaborinin-3-ium-2-uide)","","- C16 H14 B2 F4 N2 O2 -","- C16 H14 B2 F4 N2 O2 -","- C32 H28 B4 F8 N4 O4 -","2","0.5","","Guieu, Samuel; Cardona, Francisco; Rocha, João; Silva, Artur M. S.","Luminescent bi-metallic fluoroborate derivatives of bulky salen ligands","New J. Chem.","2014","38","11","5411","","10.1039/C4NJ00941J","","","0.71073","MoKα","","0.0614","0.047","","","0.1072","0.1182","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054386","11.8811","0.0013","8.5426","0.0008","16.4812","0.0016","90","","106.687","0.004","90","","1602.3","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-((1E,1'E)-(ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(4-benzhydrylphenol)","","- C42 H36 N2 O2 -","- C42 H36 N2 O2 -","- C84 H72 N4 O4 -","2","0.5","","Guieu, Samuel; Cardona, Francisco; Rocha, João; Silva, Artur M. S.","Luminescent bi-metallic fluoroborate derivatives of bulky salen ligands","New J. Chem.","2014","38","11","5411","","10.1039/C4NJ00941J","","","0.71073","MoKα","","0.1137","0.0622","","","0.1418","0.1672","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054387","6.9487","0.0012","12.624","0.002","11.3238","0.0015","90","","93.457","0.007","90","","991.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2-difluoro-3-propyl-2H-benzo[e][1,3,2]oxazaborinin-3-ium-2-uide","","- C10 H12 B F2 N O -","- C10 H12 B F2 N O -","- C40 H48 B4 F8 N4 O4 -","4","1","","Guieu, Samuel; Cardona, Francisco; Rocha, João; Silva, Artur M. S.","Luminescent bi-metallic fluoroborate derivatives of bulky salen ligands","New J. Chem.","2014","38","11","5411","","10.1039/C4NJ00941J","","","0.71073","MoKα","","0.0781","0.0603","","","0.1432","0.1552","","","","","","1.178","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054388","10.9905","0.0003","22.1006","0.0005","13.0545","0.0004","90","","109.689","0.002","90","","2985.51","0.14","293","","293","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C33 H27 Cl N3 Ni O P S -","- C33 H27 Cl N3 Ni O P S -","- C132 H108 Cl4 N12 Ni4 O4 P4 S4 -","4","1","","Güveli, Şükriye; Koca, Atıf; Özdemir, Namık; Bal-Demirci, Tülay; Ülküseven, Bahri","Electrochemistry and structural properties of new mixed ligand nickel(ii) complexes based on thiosemicarbazone","New J. Chem.","2014","38","11","5582","","10.1039/C4NJ00556B","","","0.71073","MoKα","","0.0965","0.0952","","","0.2489","0.25","","","","","","1.082","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054389","16.6948","0.0003","10.9984","0.0002","16.9011","0.0004","90","","92.44","0.002","90","","3100.5","0.11","293","","293","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C35 H29 Cl N3 Ni O P S -","- C35 H29 Cl N3 Ni O P S -","- C140 H116 Cl4 N12 Ni4 O4 P4 S4 -","4","1","","Güveli, Şükriye; Koca, Atıf; Özdemir, Namık; Bal-Demirci, Tülay; Ülküseven, Bahri","Electrochemistry and structural properties of new mixed ligand nickel(ii) complexes based on thiosemicarbazone","New J. Chem.","2014","38","11","5582","","10.1039/C4NJ00556B","","","0.71073","MoKα","","0.041","0.0402","","","0.118","0.1191","","","","","","1.054","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054390","8.9069","0.0004","14.7753","0.0006","12.3744","0.0005","90","","102.793","0.004","90","","1588.07","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cl2 Co N3 S -","- C14 H13 Cl2 Co N3 S -","- C56 H52 Cl8 Co4 N12 S4 -","4","1","","Sobiesiak, Marta; Muzioł, Tadeusz; Rozalski, Marek; Krajewska, Urszula; Budzisz, Elzbieta","Co(ii), Ni(ii) and Cu(ii) complexes with phenylthiazole and thiosemicarbazone-derived ligands: synthesis, structure and cytotoxic effects","New J. Chem.","2014","38","11","5349","","10.1039/C4NJ00977K","","x-ray","0.71073","MoKα","","0.0403","0.032","","","0.092","0.0963","","","","","","0.873","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054391","24.0372","0.001","9.6174","0.0003","16.0976","0.0007","90","","113.255","0.005","90","","3419","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 Cl2 N6 Ni O10 S2 -","- C28 H30 Cl2 N6 Ni O10 S2 -","- C112 H120 Cl8 N24 Ni4 O40 S8 -","4","0.5","","Sobiesiak, Marta; Muzioł, Tadeusz; Rozalski, Marek; Krajewska, Urszula; Budzisz, Elzbieta","Co(ii), Ni(ii) and Cu(ii) complexes with phenylthiazole and thiosemicarbazone-derived ligands: synthesis, structure and cytotoxic effects","New J. Chem.","2014","38","11","5349","","10.1039/C4NJ00977K","","x-ray","0.71073","MoKα","","0.0528","0.0458","","","0.1279","0.132","","","","","","1.068","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054392","19.8159","0.0006","13.1908","0.0006","25.0863","0.0009","90","","90","","90","","6557.2","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C56 H52 Cu3 N18 O18 S4 -","- C56 H52 Cu3 N18 O18 S4 -","- C224 H208 Cu12 N72 O72 S16 -","4","0.5","","Sobiesiak, Marta; Muzioł, Tadeusz; Rozalski, Marek; Krajewska, Urszula; Budzisz, Elzbieta","Co(ii), Ni(ii) and Cu(ii) complexes with phenylthiazole and thiosemicarbazone-derived ligands: synthesis, structure and cytotoxic effects","New J. Chem.","2014","38","11","5349","","10.1039/C4NJ00977K","","x-ray","0.71073","MoKα","","0.101","0.0459","","","0.1021","0.123","","","","","","0.943","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054393","16.6552","0.0006","14.1497","0.0005","23.1221","0.001","90","","104.258","0.004","90","","5281.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15.6 H27.8 N8 Ni O7.3 S2 -","- C15.6 H27 N8 Ni O7.3 S2 -","- C124.8 H216 N64 Ni8 O58.4 S16 -","8","2","","Sobiesiak, Marta; Muzioł, Tadeusz; Rozalski, Marek; Krajewska, Urszula; Budzisz, Elzbieta","Co(ii), Ni(ii) and Cu(ii) complexes with phenylthiazole and thiosemicarbazone-derived ligands: synthesis, structure and cytotoxic effects","New J. Chem.","2014","38","11","5349","","10.1039/C4NJ00977K","","x-ray","0.71073","MoKα","","0.1445","0.072","","","0.2057","0.2381","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054394","7.473","0.0007","13.8023","0.0013","14.6537","0.0014","65.559","0.003","80.509","0.003","85.41","0.003","1357.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 O2 S -","- C15 H16 O2 S -","- C60 H64 O8 S4 -","4","2","","Parumala, Santosh Kumar Reddy; Surasani, Seshi Reddy; Peddinti, Rama Krishna","S-Arylation of thiols with masked o-benzoquinones: synthesis of alkyl aryl/diaryl sulfides","New J. Chem.","2014","38","11","5268","","10.1039/C4NJ01381F","","","0.71073","MoKα","","0.1095","0.0911","","","0.3144","0.3255","","","","","","1.079","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054395","19.829","0.0002","14.321","0.0002","28.6903","0.0003","90","","91.055","0.001","90","","8145.84","0.16","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H69.69 N24.33 Ni5 O13 -","- C68.01 H69.69 N24.33 Ni5 O13 -","- C272.04 H278.76 N97.32 Ni20 O52 -","4","1","","Tan, Yan-Xi; Zhang, Ying; He, Yan-Ping; Zheng, Yan-Jun","Microporous metal‒organic layer built from pentanuclear tetrahedral units: gas sorption and magnetism","New J. Chem.","2014","38","11","5272","","10.1039/C4NJ00517A","","","1.5418","CuKα","","0.0761","0.0716","","","0.2109","0.2165","","","","","","1.044","","","","has coordinates,has disorder","180097","2020-10-21","18:00:00",""
"7054424","10.173","0.003","12.359","0.004","13.936","0.005","98.604","0.006","96.093","0.006","91.034","0.003","1721.6","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H33 B Cl4 F2 N4 O Ru -","- C36 H33 B Cl4 F2 N4 O Ru -","- C72 H66 B2 Cl8 F4 N8 O2 Ru2 -","2","1","","Madhu, Sheri; Kumar, Sunit; Chatterjee, Tamal; Ravikanth, Mangalampalli","Synthesis, X-ray structure, spectral and electrochemical properties of a β-meso covalently linked BODIPY‒Ru(ii) dipyrrin complex","New J. Chem.","2014","38","11","5551","","10.1039/C4NJ01114G","","","0.7107","MoKα","","0.06","0.0502","","","0.1184","0.1255","","","","","","1.063","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054427","21.9907","0.0009","27.7429","0.0014","29.1299","0.0012","90","","95.471","0.003","90","","17690.8","1.4","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H88 O9 S2 -","- C61.7767 H71.3607 O8.66667 S2 -","- C741.32 H856.328 O104 S24 -","12","3","","Valluru, Gopikishore; Rahman, Shofiur; Georghiou, Paris E.; Dawe, Louise N.; Alodhayb, Abdullah N.; Beaulieu, Luc Y.","Synthesis of a cone-conformer bimodal calix[4]arene-crown-5 which forms a sensitive cesium ion sensing layer on gold-coated microcantilevers","New J. Chem.","2014","38","12","5868","","10.1039/C4NJ01213E","","","1.54178","CuKα","","0.2306","0.1519","","","0.398","0.4584","","","","","","1.595","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054428","11.933","0.003","14.282","0.003","22.324","0.004","90","","94.29","0.05","90","","3794","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37.43 H35.15 Fe Mn N9.72 O7 -","- C37.43 H35.145 Fe Mn N9.715 O7 -","- C149.72 H140.58 Fe4 Mn4 N38.86 O28 -","4","1","","Zhou, Hongbo; Wang, Yingying; Mou, Fangyou; Shen, Xiaoping; Liu, Yashu","Crystal structures and magneto-structural correlation analysis for several cyano-bridged bimetallic complexes based on MnIII‒FeIIIsystems","New J. Chem.","2014","38","12","5925","","10.1039/C4NJ01157K","","","0.71073","MoKα","","0.0986","0.0684","","","0.155","0.168","","","","","","1.077","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054429","11.985","0.003","14.249","0.004","22.419","0.006","90","","95.528","0.004","90","","3810.8","1.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 Fe Mn N9 O6 -","- C37 H33 Fe Mn N9 O6 -","- C148 H132 Fe4 Mn4 N36 O24 -","4","1","","Zhou, Hongbo; Wang, Yingying; Mou, Fangyou; Shen, Xiaoping; Liu, Yashu","Crystal structures and magneto-structural correlation analysis for several cyano-bridged bimetallic complexes based on MnIII‒FeIIIsystems","New J. Chem.","2014","38","12","5925","","10.1039/C4NJ01157K","","","0.71073","MoKα","","0.1026","0.0516","","","0.1132","0.1271","","","","","","0.978","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054430","11.415","0.005","13.273","0.005","14.081","0.006","65.735","0.004","67.531","0.004","71.71","0.005","1765.9","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H31 Fe Mn N9 O6 -","- C36 H31 Fe Mn N9 O6 -","- C72 H62 Fe2 Mn2 N18 O12 -","2","1","","Zhou, Hongbo; Wang, Yingying; Mou, Fangyou; Shen, Xiaoping; Liu, Yashu","Crystal structures and magneto-structural correlation analysis for several cyano-bridged bimetallic complexes based on MnIII‒FeIIIsystems","New J. Chem.","2014","38","12","5925","","10.1039/C4NJ01157K","","","0.71073","MoKα","","0.1037","0.0678","","","0.1457","0.1639","","","","","","0.993","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7054431","23.328","0.005","10.078","0.002","26.115","0.005","90","","100.04","0.03","90","","6046","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H73 Fe Mn N9 O7 -","- C58 H73 Fe Mn N9 O7 -","- C232 H292 Fe4 Mn4 N36 O28 -","4","1","","Zhou, Hongbo; Wang, Yingying; Mou, Fangyou; Shen, Xiaoping; Liu, Yashu","Crystal structures and magneto-structural correlation analysis for several cyano-bridged bimetallic complexes based on MnIII‒FeIIIsystems","New J. Chem.","2014","38","12","5925","","10.1039/C4NJ01157K","","","0.71073","MoKα","","0.0742","0.0594","","","0.1517","0.1696","","","","","","1.092","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054432","22.68","0.005","10.109","0.002","26.26","0.005","90","","99.76","0.03","90","","5934","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H67.6 Fe Mn N8 O6.8 -","- C55 H60 Fe Mn N8 O6.8 -","- C220 H240 Fe4 Mn4 N32 O27.2 -","4","1","","Zhou, Hongbo; Wang, Yingying; Mou, Fangyou; Shen, Xiaoping; Liu, Yashu","Crystal structures and magneto-structural correlation analysis for several cyano-bridged bimetallic complexes based on MnIII‒FeIIIsystems","New J. Chem.","2014","38","12","5925","","10.1039/C4NJ01157K","","","0.71073","MoKα","","0.1682","0.131","","","0.2432","0.268","","","","","","1.015","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054433","13.148","0.003","14.128","0.003","25.24","0.005","90","","102.46","0.03","90","","4578","1.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47.44 H45.3 Fe Mn N10 O6.44 -","- C47.437 H45.3 Fe Mn N10 O6.437 -","- C189.748 H181.2 Fe4 Mn4 N40 O25.748 -","4","1","","Zhou, Hongbo; Wang, Yingying; Mou, Fangyou; Shen, Xiaoping; Liu, Yashu","Crystal structures and magneto-structural correlation analysis for several cyano-bridged bimetallic complexes based on MnIII‒FeIIIsystems","New J. Chem.","2014","38","12","5925","","10.1039/C4NJ01157K","","","0.71073","MoKα","","0.0908","0.0747","","","0.1556","0.1671","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054436","8.8114","0.0004","9.8021","0.0005","24.4201","0.0011","90","","95.928","0.002","90","","2097.89","0.17","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Cd N3 S4 -","- C17 H25 Cd N3 S4 -","- C68 H100 Cd4 N12 S16 -","4","1","","Mlowe, Sixberth; Lewis, David J.; Azad Malik, M.; Raftery, James; Mubofu, Egid B.; O'Brien, Paul; Revaprasadu, Neerish","Bis(piperidinedithiocarbamato)pyridinecadmium(ii) as a single-source precursor for the synthesis of CdS nanoparticles and aerosol-assisted chemical vapour deposition (AACVD) of CdS thin films","New J. Chem.","2014","38","12","6073","","10.1039/C4NJ01201A","","","1.54178","CuKα","","0.0362","0.0346","","","0.0851","0.087","","","","","","0.529","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054437","10.9888","0.0011","8.6363","0.0009","17.4813","0.0015","90","","94.688","0.004","90","","1653.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Co2 N10 O8 S2 -","- C24 H38 Co2 N10 O8 S2 -","- C48 H76 Co4 N20 O16 S4 -","2","0.5","","Murphy, Michael J.; Usov, Pavel M.; Rizzuto, Felix J.; Kepert, Cameron J.; D'Alessandro, Deanna M.","Magnetic, electrochemical and optical properties of a sulfate-bridged Co(ii) imidazole dimer","New J. Chem.","2014","38","12","5856","","10.1039/C4NJ01401D","","","0.71073","MoKα","","0.032","0.0242","","","0.0761","0.101","","","","","","1.179","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054438","7.938","0.004","15.794","0.007","3.4414","0.0015","90","","99.992","0.009","90","","424.9","0.3","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 O10 Yb -","- B3 Cd4 O10 Yb -","- B6 Cd8 O20 Yb2 -","2","0.5","","Zou, Guohong; Huang, Ling; Cai, Huaqiang; Wang, Shichao; Ye, Ning","Synthesis and characterization of Cd4YbO(BO3)3‒ a congruent melting cadmium‒ytterbium oxyborate with large nonlinear optical properties","New J. Chem.","2014","38","12","6186","","10.1039/C4NJ01421A","","","0.71073","MoKα","","0.0545","0.0527","","","0.1367","0.138","","","","","","1.111","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054439","5.2735","0.0002","8.6164","0.0004","9.3766","0.0004","97.6974","0.0018","93.5064","0.0018","95.8677","0.0019","418.8","0.03","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C16 H26 N2 O6 -","2","1","","Gruber, Tobias; Thompson, Amber L.; Odell, Barbara; Bombicz, Petra; Schofield, Christopher J.","Conformational studies on substituted ε-caprolactams by X-ray crystallography and NMR spectroscopy","New J. Chem.","2014","38","12","5905","","10.1039/C4NJ01339E","","","0.71073","MoKα","","0.0522","0.0424","","0.124","0.1079","0.124","","","","","","0.9467","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054440","10.5713","0.0008","10.6265","0.0005","11.0705","0.0007","72.339","0.005","78.005","0.006","80.552","0.005","1152.29","0.13","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H11 N O3 -","- C7 H11 N O3 -","- C42 H66 N6 O18 -","6","3","","Gruber, Tobias; Thompson, Amber L.; Odell, Barbara; Bombicz, Petra; Schofield, Christopher J.","Conformational studies on substituted ε-caprolactams by X-ray crystallography and NMR spectroscopy","New J. Chem.","2014","38","12","5905","","10.1039/C4NJ01339E","","","1.54184","CuKα","","0.0631","0.0583","","0.1568","0.1518","0.1568","","","","","","0.9925","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054441","6.27304","0.00011","8.13334","0.00011","27.281","0.0005","90","","91.0045","0.0016","90","","1391.68","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 N O5 -","- C13 H21 N O5 -","- C52 H84 N4 O20 -","4","1","","Gruber, Tobias; Thompson, Amber L.; Odell, Barbara; Bombicz, Petra; Schofield, Christopher J.","Conformational studies on substituted ε-caprolactams by X-ray crystallography and NMR spectroscopy","New J. Chem.","2014","38","12","5905","","10.1039/C4NJ01339E","","","1.54184","CuKα","","0.0422","0.0349","","0.0901","0.0854","0.0899","","","","","","0.9877","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054442","7.54965","0.00008","7.8511","0.0001","23.3724","0.0003","90","","95.6507","0.0011","90","","1378.62","0.03","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N2 O3 S2 -","- C11 H18 N2 O3 S2 -","- C44 H72 N8 O12 S8 -","4","1","","Gruber, Tobias; Thompson, Amber L.; Odell, Barbara; Bombicz, Petra; Schofield, Christopher J.","Conformational studies on substituted ε-caprolactams by X-ray crystallography and NMR spectroscopy","New J. Chem.","2014","38","12","5905","","10.1039/C4NJ01339E","","","1.54184","CuKα","","0.0297","0.0277","","0.0742","0.0718","0.0742","","","","","","0.9588","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054443","7.9432","0.0006","8.4258","0.0006","11.299","0.0008","89.703","0.006","71.855","0.006","73.959","0.006","687.92","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H18 N2 O3 S2 -","- C11 H18 N2 O3 S2 -","- C22 H36 N4 O6 S4 -","2","1","","Gruber, Tobias; Thompson, Amber L.; Odell, Barbara; Bombicz, Petra; Schofield, Christopher J.","Conformational studies on substituted ε-caprolactams by X-ray crystallography and NMR spectroscopy","New J. Chem.","2014","38","12","5905","","10.1039/C4NJ01339E","","","0.71073","MoKα","","0.0878","0.0565","","0.1161","0.0953","0.1155","","","","","","1.0097","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054444","7.71325","0.00007","8.16076","0.00007","23.754","0.0002","90","","94.6857","0.0008","90","","1490.22","0.02","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 N2 O3 S2 -","- C13 H20 N2 O3 S2 -","- C52 H80 N8 O12 S8 -","4","1","","Gruber, Tobias; Thompson, Amber L.; Odell, Barbara; Bombicz, Petra; Schofield, Christopher J.","Conformational studies on substituted ε-caprolactams by X-ray crystallography and NMR spectroscopy","New J. Chem.","2014","38","12","5905","","10.1039/C4NJ01339E","","","1.54184","CuKα","","0.0265","0.0257","","0.108","0.1049","0.108","","","","","","0.9997","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054445","6.2079","0.0004","7.7139","0.0007","8.6278","0.0008","82.686","0.008","88.718","0.007","89.279","0.006","409.68","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C16 H22 N2 O6 -","2","1","","Gruber, Tobias; Thompson, Amber L.; Odell, Barbara; Bombicz, Petra; Schofield, Christopher J.","Conformational studies on substituted ε-caprolactams by X-ray crystallography and NMR spectroscopy","New J. Chem.","2014","38","12","5905","","10.1039/C4NJ01339E","","","1.54184","CuKα","","0.0338","0.0327","","0.0895","0.0883","0.0895","","","","","","1.0124","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054446","19.53","0.002","19.53","0.002","15.3376","0.0016","90","","90","","90","","5850.1","1","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C60 H72 N8 O4 S4 -","- C60 H72 N8 O4 S4 -","- C240 H288 N32 O16 S16 -","4","","","Zhao, Jiang-Lin; Tomiyasu, Hirotsugu; Ni, Xin-Long; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Rahman, Shofiur; Georghiou, Paris E.; Yamato, Takehiko","Synthesis and evaluation of a novel ionophore based on a thiacalix[4]arene derivative bearing imidazole units","New J. Chem.","2014","38","12","6041","","10.1039/C4NJ01099J","","","0.71073","MoKα","","0.0789","0.0401","","","0.0748","0.0899","","","","","","1.041","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054447","13.2947","0.0005","21.6351","0.0009","37.7271","0.0015","90","","90","","90","","10851.5","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H68 N4 O7 S4 -","- C51 H68 N4 O7 S4 -","- C408 H544 N32 O56 S32 -","8","1","","Zhao, Jiang-Lin; Tomiyasu, Hirotsugu; Ni, Xin-Long; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Rahman, Shofiur; Georghiou, Paris E.; Yamato, Takehiko","Synthesis and evaluation of a novel ionophore based on a thiacalix[4]arene derivative bearing imidazole units","New J. Chem.","2014","38","12","6041","","10.1039/C4NJ01099J","","","0.71073","MoKα","","0.0725","0.0497","","","0.1268","0.1426","","","","","","1.051","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054448","8.7748","0.0018","9.1491","0.0018","17.558","0.004","93.54","0.03","97.12","0.03","98.33","0.03","1379.4","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 Au N2 O3 P -","- C33 H24 Au N2 O3 P -","- C66 H48 Au2 N4 O6 P2 -","2","1","","Shi, Hua-Yun; Qi, Jie; Zhao, Zhen-Ze; Feng, Wen-Juan; Li, Yu-Hao; Sun, Lu; Lin, Zhuo-Jia; Chao, Hsiu-Yi","Synthesis, characterization, photophysics, and anion binding properties of gold(i) acetylide complexes with amide groups","New J. Chem.","2014","38","12","6168","","10.1039/C4NJ01294A","","","0.71073","MoKα","","0.0486","0.0345","","","0.0854","0.0918","","","","","","0.768","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054463","9.807","0.009","9.807","0.009","34.426","0.003","90","","90","","90","","3311","4","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C26 H30 Cd N12 O8 -","- C26 H30 Cd N12 O8 -","- C104 H120 Cd4 N48 O32 -","4","1","","Guan, Qing-Lin; Liu, Zhi; Wei, Wen-Juan; Xing, Yong-Heng; Liu, Jing; Zhang, Rui; Hou, Ya-Nan; Wang, Xuan; Bai, Feng-Ying","Synthesis, structure, spectroscopy of four novel supramolecular complexes and cytotoxicity study by application of multiple parallel perfused microbioreactors","New Journal of Chemistry","2014","38","7","3258","","10.1039/c3nj01646c","","","0.71073","MoKα","","0.0951","0.0771","","","0.178","0.1885","","","","","","1.071","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054464","9.839","0.001","9.839","0.001","34.516","0.003","90","","90","","90","","3341.4","0.6","273","2","273","2","","","","","","","","5","P 41","P 4w","76","","","","- C27 H31 Cd N10 O2.5 -","- C27 H31 Cd N10 O2.5 -","- C108 H124 Cd4 N40 O10 -","4","1","","Guan, Qing-Lin; Liu, Zhi; Wei, Wen-Juan; Xing, Yong-Heng; Liu, Jing; Zhang, Rui; Hou, Ya-Nan; Wang, Xuan; Bai, Feng-Ying","Synthesis, structure, spectroscopy of four novel supramolecular complexes and cytotoxicity study by application of multiple parallel perfused microbioreactors","New Journal of Chemistry","2014","38","7","3258","","10.1039/c3nj01646c","","","0.71073","MoKα","","0.1139","0.0889","","","0.2475","0.2706","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054465","9.537","0.004","12.679","0.003","15.191","0.001","108.093","0.001","104.845","0.001","91.562","0.001","1676.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H28.5 N7.5 O11.5 Zn -","- C31.5 H28.5 N7.5 O11.5 Zn -","- C63 H57 N15 O23 Zn2 -","2","1","","Guan, Qing-Lin; Liu, Zhi; Wei, Wen-Juan; Xing, Yong-Heng; Liu, Jing; Zhang, Rui; Hou, Ya-Nan; Wang, Xuan; Bai, Feng-Ying","Synthesis, structure, spectroscopy of four novel supramolecular complexes and cytotoxicity study by application of multiple parallel perfused microbioreactors","New Journal of Chemistry","2014","38","7","3258","","10.1039/c3nj01646c","","","0.71073","MoKα","","0.0563","0.039","","","0.0922","0.1008","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054466","9.9875","0.0007","21.46","0.0018","34.472","0.003","90","","104.236","0.005","90","","7161.6","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H53 N16 O25.5 Zn3 -","- C68 H52 N16 O25.5 Zn3 -","- C272 H208 N64 O102 Zn12 -","4","1","","Guan, Qing-Lin; Liu, Zhi; Wei, Wen-Juan; Xing, Yong-Heng; Liu, Jing; Zhang, Rui; Hou, Ya-Nan; Wang, Xuan; Bai, Feng-Ying","Synthesis, structure, spectroscopy of four novel supramolecular complexes and cytotoxicity study by application of multiple parallel perfused microbioreactors","New Journal of Chemistry","2014","38","7","3258","","10.1039/c3nj01646c","","","0.71073","MoKα","","0.1699","0.0613","","","0.1529","0.1842","","","","","","0.857","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054467","7.0077","0.0003","27.0442","0.0016","9.784","0.0005","90","","102.138","0.004","90","","1812.79","0.16","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Mo N2 O7 -","- C17 H18 Mo N2 O7 -","- C68 H72 Mo4 N8 O28 -","4","1","","Vrdoljak, Višnja; Pisk, Jana; Agustin, Dominique; Novak, Predrag; Parlov Vuković, Jelena; Matković-Čalogović, Dubravka","Dioxomolybdenum(vi) and dioxotungsten(vi) complexes chelated with the ONO tridentate hydrazone ligand: synthesis, structure and catalytic epoxidation activity","New J. Chem.","2014","38","12","6176","","10.1039/C4NJ01394H","","","0.7107","MoKα","","0.055","0.031","","","0.0607","0.0648","","","","","","0.907","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054468","3.9792","0.0001","10.3039","0.0003","21.3511","0.0009","90","","95.342","0.004","90","","871.62","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 Mo N3 O6 -","- C17 H15 Mo N3 O6 -","- C34 H30 Mo2 N6 O12 -","2","1","","Vrdoljak, Višnja; Pisk, Jana; Agustin, Dominique; Novak, Predrag; Parlov Vuković, Jelena; Matković-Čalogović, Dubravka","Dioxomolybdenum(vi) and dioxotungsten(vi) complexes chelated with the ONO tridentate hydrazone ligand: synthesis, structure and catalytic epoxidation activity","New J. Chem.","2014","38","12","6176","","10.1039/C4NJ01394H","","","0.71073","MoKα","","0.0352","0.0336","","","0.075","0.0758","","","","","","0.993","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054469","6.6695","0.0009","18.7911","0.0019","14.411","0.002","90","","96.799","0.014","90","","1793.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Mo N2 O7 -","- C17 H18 Mo N2 O7 -","- C68 H72 Mo4 N8 O28 -","4","1","","Vrdoljak, Višnja; Pisk, Jana; Agustin, Dominique; Novak, Predrag; Parlov Vuković, Jelena; Matković-Čalogović, Dubravka","Dioxomolybdenum(vi) and dioxotungsten(vi) complexes chelated with the ONO tridentate hydrazone ligand: synthesis, structure and catalytic epoxidation activity","New J. Chem.","2014","38","12","6176","","10.1039/C4NJ01394H","","","0.71073","MoKα","","0.1227","0.0623","","","0.1117","0.1386","","","","","","0.978","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054470","9.2163","0.0003","9.9981","0.0004","10.1284","0.0003","63.594","0.004","65.191","0.003","89.389","0.003","740.79","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Mo2 N4 O12 -","- C30 H24 Mo2 N4 O12 -","- C30 H24 Mo2 N4 O12 -","1","0.5","","Vrdoljak, Višnja; Pisk, Jana; Agustin, Dominique; Novak, Predrag; Parlov Vuković, Jelena; Matković-Čalogović, Dubravka","Dioxomolybdenum(vi) and dioxotungsten(vi) complexes chelated with the ONO tridentate hydrazone ligand: synthesis, structure and catalytic epoxidation activity","New J. Chem.","2014","38","12","6176","","10.1039/C4NJ01394H","","","0.71073","MoKα","","0.0266","0.0229","","","0.0515","0.0528","","","","","","1.029","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054471","6.9243","0.0001","7.5678","0.0002","15.8992","0.0004","95.56","0.002","90.676","0.002","100.214","0.002","815.73","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Mo N2 O6 -","- C16 H16 Mo N2 O6 -","- C32 H32 Mo2 N4 O12 -","2","1","","Vrdoljak, Višnja; Pisk, Jana; Agustin, Dominique; Novak, Predrag; Parlov Vuković, Jelena; Matković-Čalogović, Dubravka","Dioxomolybdenum(vi) and dioxotungsten(vi) complexes chelated with the ONO tridentate hydrazone ligand: synthesis, structure and catalytic epoxidation activity","New J. Chem.","2014","38","12","6176","","10.1039/C4NJ01394H","","","0.71073","MoKα","","0.0275","0.0239","","","0.061","0.062","","","","","","1.02","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054472","7.3136","0.0013","4.5404","0.0008","12.823","0.002","90","","103.9","0.004","90","","413.34","0.12","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H8 N4 -","- C9 H8 N4 -","- C18 H16 N8 -","2","1","","Goswami, Shyamaprosad; Chakraborty, Shampa; Adak, Monoj Kumar; Halder, Sandipan; Quah, Ching Kheng; Fun, Hoong-Kun; Pakhira, Bholanath; Sarkar, Sabyasachi","A highly selective ratiometric chemosensor for Ni2+in a quinoxaline matrix","New J. Chem.","2014","38","12","6230","","10.1039/C4NJ01498G","","","0.71073","MoKα","","0.0374","0.0331","","","0.0826","0.0849","","","","","","1.101","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054473","9.5091","0.0015","13.741","0.002","15.412","0.0018","62.573","0.004","73.988","0.006","87.296","0.007","1710.6","0.4","113","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H62 Cl12 N6 -","- C72 H62 Cl12 N6 -","- C72 H62 Cl12 N6 -","1","0.5","","Muratsugu, Satoshi; Nishihara, Hiroshi","π-Conjugation modification of photochromic and redox-active dimethyldihydropyrene by phenyl- and ethynyl-terpyridines and Ru(bis-terpyridine) complexes","New J. Chem.","2014","38","12","6114","","10.1039/C4NJ01462F","","","0.7107","MoKα","","","0.0515","","","","0.1393","","","","","","1.058","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054584","8.398","0.003","4.9346","0.0018","14.205","0.004","90","","95.64","0.02","90","","585.8","0.3","296","","296","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 B3 N2 O9 Zn4 -","- C2 H8 B3 N2 O9 Zn4 -","- C4 H16 B6 N4 O18 Zn8 -","2","0.5","","Jiang, Xiangzhan; Yang, Yun; Pan, Shilie; Han, Jian; Dong, Xiaoyu; Zhang, Fangyuan; Yu, Hongwei; Wang, Ying","Zn4B3O9C2H8N2: an organic‒inorganic hybrid borate with a novel graphene-like layer","New J. Chem.","2014","38","12","6025","","10.1039/C4NJ01015A","","x-ray","0.71073","MoKα","","0.0663","0.042","","","0.0923","0.1018","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7059085","42.6162","0.0016","23.0136","0.0009","21.8331","0.0008","90","","117.46","0.002","90","","19000.3","1.3","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C256 H239 Ce4 N57 O42 -","- C256 H219 Ce4 N57 O42 -","- C512 H438 Ce8 N114 O84 -","2","0.5","","Zhang, Jing; Yu, Hao; Zhang, Caixia; He, Cheng; Duan, Chunying","Cerium-based M4L4 tetrahedrons containing hydrogen bond groups as functional molecular flasks for selective reaction prompting","New J. Chem.","2014","38","7","3137","","10.1039/C4NJ00062E","","","0.71073","MoKα","","0.1221","0.0694","","","0.1497","0.161","","","","","","1.021","","","","has coordinates,has disorder","232806","2020-10-21","18:00:00",""
"7059086","29.074","0.004","22.851","0.003","33.44","0.006","90","","112.605","0.002","90","","20510","5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C172 H171 Ce4 N33 O36 -","- C172 H163 Ce4 N33 O36 -","- C688 H652 Ce16 N132 O144 -","4","0.5","","Zhang, Jing; Yu, Hao; Zhang, Caixia; He, Cheng; Duan, Chunying","Cerium-based M4L4 tetrahedrons containing hydrogen bond groups as functional molecular flasks for selective reaction prompting","New J. Chem.","2014","38","7","3137","","10.1039/C4NJ00062E","","","0.71073","MoKα","","0.0963","0.0593","","","0.1667","0.1832","","","","","","1.047","","","","has coordinates,has disorder","232806","2020-10-21","18:00:00",""
"7110170","14.4029","0.0008","14.4398","0.0008","25.9117","0.0018","90","","90","","90","","5389","0.6","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-DAC=PPh","","","- C30 H33 N2 O2 P -","- C30 H33 N2 O2 P -","- C240 H264 N16 O16 P8 -","8","1","","Roberta R. Rodrigues; Christopher L. Dorsey; Chelsee A. Arceneaux; Todd W. Hudnall","Phosphaalkene vs. phosphinidene: the nature of the P-C bond in carbonyl-decorated carbene > PPh adducts","Chem.Commun.","2014","50","","162","","10.1039/c3cc45134h","","","0.71075","MoKα","","0.0745","0.0491","","","0.1381","0.1583","","","","","","1.01","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110171","8.1331","0.001","12.6193","0.0016","23.637","0.003","90","","90","","90","","2426","0.5","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-DAC=PPh","","","- C27 H27 N2 O2 P -","- C27 H27 N2 O2 P -","- C108 H108 N8 O8 P4 -","4","1","","Roberta R. Rodrigues; Christopher L. Dorsey; Chelsee A. Arceneaux; Todd W. Hudnall","Phosphaalkene vs. phosphinidene: the nature of the P-C bond in carbonyl-decorated carbene > PPh adducts","Chem.Commun.","2014","50","","162","","10.1039/c3cc45134h","","","0.71075","MoKα","","0.1125","0.0631","","","0.1367","0.1603","","","","","","1.008","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110172","8.7462","0.0008","16.7795","0.0016","18.8733","0.0018","90","","96.361","0.007","90","","2752.7","0.5","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","DAC-Cl Triflate","","","- C25 H28 Cl F3 N2 O5 S -","- C25 H28 Cl F3 N2 O5 S -","- C100 H112 Cl4 F12 N8 O20 S4 -","4","1","","Roberta R. Rodrigues; Christopher L. Dorsey; Chelsee A. Arceneaux; Todd W. Hudnall","Phosphaalkene vs. phosphinidene: the nature of the P-C bond in carbonyl-decorated carbene > PPh adducts","Chem.Commun.","2014","50","","162","","10.1039/c3cc45134h","","","0.71075","MoKα","","0.0957","0.0594","","","0.1476","0.1707","","","","","","1.015","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110173","17.0962","0.0011","12.391","0.0008","17.5534","0.0011","90","","104.637","0.001","90","","3597.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","iPr2TpZn-SArMe","","","- C34 H53 B N6 S Zn -","- C34 H53 B N6 S Zn -","- C136 H212 B4 N24 S4 Zn4 -","4","1","","Allan Jay P. Cardenas; Rebecca Abelman; Timothy H. Warren","Conversion of nitrite to nitric oxide at zinc via S-nitrosothiols","Chem.Commun.","2014","50","","168","","10.1039/c3cc46102e","","","0.71073","MoKα","","0.0669","0.0447","","","0.1094","0.1169","","","","","","1.055","","","","has coordinates","287895","2023-11-30","16:16:30",""
"7110174","12.2024","0.0019","16.263","0.003","15.918","0.003","90","","94.572","0.002","90","","3148.8","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","iPr2TpZn(OAc)","","","- C29 H49 B N6 O2 Zn -","- C29 H49 B N6 O2 Zn -","- C116 H196 B4 N24 O8 Zn4 -","4","1","","Allan Jay P. Cardenas; Rebecca Abelman; Timothy H. Warren","Conversion of nitrite to nitric oxide at zinc via S-nitrosothiols","Chem.Commun.","2014","50","","168","","10.1039/c3cc46102e","","","0.71073","MoKα","","0.0564","0.0401","","","0.1029","0.1076","","","","","","1.078","","","","has coordinates","287895","2023-11-30","16:16:31",""
"7110175","11.1762","0.0008","15.744","0.0012","18.2008","0.0014","90","","90","","90","","3202.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H48 Er N3 Si3 -","- C26 H48 Er N3 Si3 -","- C104 H192 Er4 N12 Si12 -","4","1","","Zhuo Chai; Dezhi Hua; Kui Li; Jiang Chu; Gaosheng Yang","A novel chiral yttrium complex with a tridentate linked amido-indenyl ligand for intramolecular hydroamination","Chem.Commun.","2014","50","","177","","10.1039/c3cc47006g","","","0.71073","MoKα","","0.0368","0.0253","","","0.0649","0.0732","","","","","","0.817","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110176","11.1504","0.0016","16.584","0.002","17.122","0.002","90","","90","","90","","3166.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H48 N3 Si3 Y -","- C26 H48 N3 Si3 Y -","- C104 H192 N12 Si12 Y4 -","4","1","","Zhuo Chai; Dezhi Hua; Kui Li; Jiang Chu; Gaosheng Yang","A novel chiral yttrium complex with a tridentate linked amido-indenyl ligand for intramolecular hydroamination","Chem.Commun.","2014","50","","177","","10.1039/c3cc47006g","","","0.71073","MoKα","","0.0874","0.044","","","0.0856","0.099","","","","","","0.95","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110177","10.3286","0.0012","11.6063","0.0013","16.6657","0.0019","90","","90","","90","","1997.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(4-bromobenzoyl)-2-methyl-4,4-diphenylpyrrolidine","","- C24 H22 Br N O -","- C24 H22 Br N O -","- C96 H88 Br4 N4 O4 -","4","1","","Zhuo Chai; Dezhi Hua; Kui Li; Jiang Chu; Gaosheng Yang","A novel chiral yttrium complex with a tridentate linked amido-indenyl ligand for intramolecular hydroamination","Chem.Commun.","2014","50","","177","","10.1039/c3cc47006g","","","0.71073","MoKα","","0.0808","0.0494","","","0.15","0.1775","","","","","","0.835","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110178","8.7847","0.0009","12.8744","0.0012","9.3892","0.0009","90","","95.271","0.001","90","","1057.41","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-bromobenzoyl)-2-methyl-5,5-diphenypiperidine","","- C25 H24 Br N O -","- C25 H24 Br N O -","- C50 H48 Br2 N2 O2 -","2","1","","Zhuo Chai; Dezhi Hua; Kui Li; Jiang Chu; Gaosheng Yang","A novel chiral yttrium complex with a tridentate linked amido-indenyl ligand for intramolecular hydroamination","Chem.Commun.","2014","50","","177","","10.1039/c3cc47006g","","","0.71073","MoKα","","0.0301","0.0247","","","0.0735","0.0784","","","","","","0.656","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110179","7.487","0.0011","9.5208","0.0014","19.774","0.003","90","","90","","90","","1409.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(4-bromobenzoyl)-2,4,4-trimethylpyrrolidine","","- C14 H18 Br N O -","- C14 H18 Br N O -","- C56 H72 Br4 N4 O4 -","4","1","","Zhuo Chai; Dezhi Hua; Kui Li; Jiang Chu; Gaosheng Yang","A novel chiral yttrium complex with a tridentate linked amido-indenyl ligand for intramolecular hydroamination","Chem.Commun.","2014","50","","177","","10.1039/c3cc47006g","","","0.71073","MoKα","","0.051","0.0345","","","0.1045","0.1201","","","","","","0.815","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110180","17.1607","0.0001","17.1607","0.0001","17.1607","0.0001","90","","90","","90","","5053.65","0.05","296","2","296","2","","","","","","","","4","P -4 3 m","P -4 2 3","215","","","","- C48 H36 O19 Zn4 -","- C48 H42 O19 Zn4 -","- C48 H42 O19 Zn4 -","1","0.0416667","","Sung Min Shin; Mi Sun Lee; Ji Hee Han; Nakcheol Jeong","Assessing the guest-accessible volume in MOFs using two-photon fluorescence microscopy","Chem.Commun.","2014","50","","289","","10.1039/c3cc44008g","","","1.54178","CuKα","","0.0291","0.0261","","","0.0595","0.0603","","","","","","0.927","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110181","15.277","0.0006","12.2434","0.0005","20.3925","0.001","90","","90","","90","","3814.3","0.3","293","2","293","2","","","","","","","synthesis","4","P b c a","-P 2ac 2ab","61","","unk","","- C24 H25 N O -","- C24 H25 N O -","- C192 H200 N8 O8 -","8","1","","Sujit Mahato; Surajit Haldar; Chandan K. Jana","Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines","Chem.Commun.","2014","50","","332","","10.1039/c3cc46191b","","x-ray","0.71073","MoKα","","0.1561","0.0708","","","0.2398","0.3194","","","","","","0.908","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110182","11.7114","0.0006","17.5321","0.0009","9.3005","0.0004","90","","90","","90","","1909.63","0.16","296","2","296","2","","","","","","","synthesis","4","P n a 21","P 2c -2n","33","","unk","","- C25 H21 N O -","- C25 H21 N O -","- C100 H84 N4 O4 -","4","1","","Sujit Mahato; Surajit Haldar; Chandan K. Jana","Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines","Chem.Commun.","2014","50","","332","","10.1039/c3cc46191b","","x-ray","0.71073","MoKα","","0.0371","0.0334","","","0.0972","0.1101","","","","","","0.412","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110183","16.6693","0.0012","6.1313","0.0003","17.7664","0.0017","90","","115.984","0.011","90","","1632.3","0.3","293","2","293","2","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","rac-(7aS,12R)-12-Phenyl-7a,8,10,11-tetrahydro-12H-7,9-dioxa-11a-aza-benzo[a]anthracene","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Sujit Mahato; Surajit Haldar; Chandan K. Jana","Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines","Chem.Commun.","2014","50","","332","","10.1039/c3cc46191b","","x-ray","0.71073","MoKα","","0.0817","0.055","","","0.1233","0.1407","","","","","","1.091","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110184","26.2548","0.0011","9.6138","0.0006","17.4876","0.0007","90","","103.593","0.004","90","","4290.4","0.4","293","2","293","2","","","","","","","synthesis","4","C 1 2/c 1","-C 2yc","15","","unk","","- C27 H25 N O2 -","- C27 H25 N O2 -","- C216 H200 N8 O16 -","8","1","","Sujit Mahato; Surajit Haldar; Chandan K. Jana","Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines","Chem.Commun.","2014","50","","332","","10.1039/c3cc46191b","","x-ray","0.71073","MoKα","","0.1019","0.0631","","","0.2272","0.2849","","","","","","0.943","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110185","6.5142","0.0006","8.4766","0.0007","32.727","0.003","89.968","0.006","89.725","0.006","72.066","0.006","1719.3","0.3","296","2","296","2","","","","","","","synthesis","4","P -1","-P 1","2","","rac-(7aS,11R)-11-(4-Methoxy-phenyl)-7a.8,9,10-tetrahydro-11H-7-oxa-10a-aza-cyclopenta[b]phenanthrene","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","2","","Sujit Mahato; Surajit Haldar; Chandan K. Jana","Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines","Chem.Commun.","2014","50","","332","","10.1039/c3cc46191b","","x-ray","0.71073","MoKα","","0.0901","0.0728","","","0.2107","0.219","","","","","","1.149","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110186","10.5276","0.0005","8.353","0.0004","18.04","0.0008","90","","101.988","0.003","90","","1551.79","0.13","296","2","296","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","rac-(7aS,11S)-11-Pyridine-2-yl-7a,8,9,10-tetrahydro-11H-7-oxa-10a-aza-cyclopenta[b]phenanthrene","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Sujit Mahato; Surajit Haldar; Chandan K. Jana","Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines","Chem.Commun.","2014","50","","332","","10.1039/c3cc46191b","","x-ray","0.71073","MoKα","","0.1305","0.0529","","","0.1046","0.1285","","","","","","0.975","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110187","8.4433","0.0003","11.6711","0.0004","17.1926","0.0006","90","","94.061","0.002","90","","1689.95","0.1","296","2","296","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","rac-(1R,3S)-2-ethyl-3-methyl-1-phenyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Sujit Mahato; Surajit Haldar; Chandan K. Jana","Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines","Chem.Commun.","2014","50","","332","","10.1039/c3cc46191b","","x-ray","0.71073","MoKα","","0.1216","0.0479","","","0.0644","0.0732","","","","","","0.89","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110188","8.8679","0.0018","15.764","0.003","13.088","0.003","90","","90","","90","","1829.6","0.7","296","2","296","2","","","","","","","synthesis","4","P c a 21","P 2c -2ac","29","","rac-(7aS,12R)-12-(3-Nitro-phenyl)-8,9,10,11-tetrahydro-7aH,12H-7-oxa-11a-aza-benzo[a]anthracene","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Sujit Mahato; Surajit Haldar; Chandan K. Jana","Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines","Chem.Commun.","2014","50","","332","","10.1039/c3cc46191b","","x-ray","0.71073","MoKα","","0.0825","0.0456","","","0.0855","0.1078","","","","","","1.011","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110189","12.2362","0.0006","15.0184","0.0007","17.9322","0.0009","99.999","0.001","103.404","0.001","93.376","0.001","3140","0.3","104","2","104","2","","","","","","","","6","P -1","-P 1","2","","Bis{Methanol(10,15,20-triphenylporphyrinato-5- yl)zinc(II)}sulfide","","- C79.5 H56 N8 O2.5 S Zn2 -","- C79.5 H56 N8 O2.5 S Zn2 -","- C159 H112 N16 O5 S2 Zn4 -","2","1","","Aoife A. Ryan; Shane Plunkett; Aoife Casey; Thomas McCabe; Mathias O. Senge","From thioether substituted porphyrins to sulfur linked porphyrin dimers: an unusual S/NΑr via thiolate displacement?","Chem.Commun.","2014","50","","353","","10.1039/c3cc46828c","","","0.71073","MoKα","","0.1034","0.0855","","","0.2093","0.2226","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110190","12.4","0.004","18.055","0.005","16.422","0.005","90","","104.901","0.006","90","","3553","1.9","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H56 Ir2 N4 O3 -","- C35 H56 Ir2 N4 O3 -","- C140 H224 Ir8 N16 O12 -","4","1","","Byron J. Truscott; David J. Nelson; Alexandra M. Z. Slawin; Steven P. Nolan","CO2 fixation employing an iridium(I)-hydroxide complex","Chem.Commun.","2014","50","","286","","10.1039/c3cc46922k","","","0.71075","MoKα","","","0.0593","","","","0.1567","","","","","","0.999","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110191","11.646","0.01","18.536","0.014","12.31","0.009","90","","109.501","0.011","90","","2505","3","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Ir N3 O2 -","- C25 H36 Ir N3 O2 -","- C100 H144 Ir4 N12 O8 -","4","1","","Byron J. Truscott; David J. Nelson; Alexandra M. Z. Slawin; Steven P. Nolan","CO2 fixation employing an iridium(I)-hydroxide complex","Chem.Commun.","2014","50","","286","","10.1039/c3cc46922k","","","0.71075","MoKα","","","0.0514","","","","0.1358","","","","","","1.284","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110192","25.385","0.004","4.1207","0.0006","15.706","0.002","90","","98.23","0.004","90","","1626","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C17 H12 I2 N2 O2 -","- C17 H12 I2 N2 O2 -","- C68 H48 I8 N8 O8 -","4","1","","Xiaorong Wang; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Electronic communication across N-linked unconjugated polymers: important insight into the charge transfer processes of polyaniline","Chem.Commun.","2014","50","","350","","10.1039/c3cc47092j","","x-ray","0.71073","MoKα","","0.026","0.0226","","","0.0456","0.0468","","","","","","1.063","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110193","12.4957","0.0005","22.4434","0.0008","11.2136","0.0004","90","","113.21","0.001","90","","2890.29","0.19","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 O2 Si2 -","- C30 H34 N2 O2 Si2 -","- C120 H136 N8 O8 Si8 -","4","1","","Xiaorong Wang; Daniel Fortin; Gessie Brisard; Pierre D. Harvey","Electronic communication across N-linked unconjugated polymers: important insight into the charge transfer processes of polyaniline","Chem.Commun.","2014","50","","350","","10.1039/c3cc47092j","","x-ray","1.54186","CuKα","","0.0772","0.0666","","","0.1813","0.1936","","","","","","1.155","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110194","20.925","0.003","11.0264","0.0014","18.65","0.002","90","","92.884","0.005","90","","4297.6","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C192 H192 N16 O16 S8 -","8","1","","Dinesh Pratapsinh Chauhan; Sreejith Jayasree Varma; Arjun Vijeta; Pallavi Banerjee; Pinaki Talukdar","A 1,3-amino group migration route to form acrylamidines","Chem.Commun.","2014","50","","323","","10.1039/c3cc47182a","","","0.71073","MoKα","","0.0677","0.0506","","","0.1364","0.1503","","","","","","1.026","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110195","9.7934","0.0018","11.215","0.002","12.187","0.002","90","","96.377","0.004","90","","1330.3","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 O4 S -","- C29 H32 N2 O4 S -","- C58 H64 N4 O8 S2 -","2","1","","Dinesh Pratapsinh Chauhan; Sreejith Jayasree Varma; Arjun Vijeta; Pallavi Banerjee; Pinaki Talukdar","A 1,3-amino group migration route to form acrylamidines","Chem.Commun.","2014","50","","323","","10.1039/c3cc47182a","","","0.71073","MoKα","","0.0622","0.0496","","","0.1235","0.1323","","","","","","1.052","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110196","8.266","0.0012","25.831","0.004","13.5551","0.0019","90","","97.899","0.004","90","","2866.8","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O3 S -","- C14 H18 N2 O3 S -","- C112 H144 N16 O24 S8 -","8","2","","Dinesh Pratapsinh Chauhan; Sreejith Jayasree Varma; Arjun Vijeta; Pallavi Banerjee; Pinaki Talukdar","A 1,3-amino group migration route to form acrylamidines","Chem.Commun.","2014","50","","323","","10.1039/c3cc47182a","","","0.71073","MoKα","","0.0543","0.0395","","","0.0953","0.1035","","","","","","1.019","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110197","9.0234","0.0013","9.3284","0.0013","12.4285","0.0018","76.805","0.002","86.796","0.002","74.132","0.002","979.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C42 H52 N4 O6 S2 -","2","1","","Dinesh Pratapsinh Chauhan; Sreejith Jayasree Varma; Arjun Vijeta; Pallavi Banerjee; Pinaki Talukdar","A 1,3-amino group migration route to form acrylamidines","Chem.Commun.","2014","50","","323","","10.1039/c3cc47182a","","","0.71073","MoKα","","0.0388","0.0346","","","0.1333","0.1406","","","","","","1.188","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110198","17.115","0.002","17.367","0.002","17.373","0.002","81.255","0.008","89.146","0.008","72.459","0.007","4863.9","1","90","0.2","90","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C43.18 H37.25 Cl2.86 F12 N8 O0.94 P2 Ru -","- C43.181 H37.238 Cl2.858 F12 N8 O0.938 P2 Ru -","- C172.724 H148.952 Cl11.432 F48 N32 O3.752 P8 Ru4 -","4","2","","Erin Wachter; Brock S. Howerton; Emily C. Hall; Sean Parkin; Edith C. Glazer","A new type of DNA 'light-switch': a dual photochemical sensor and metalating agent for duplex and G-quadruplex DNA","Chem.Commun.","2014","50","","311","","10.1039/c3cc47269h","","","1.54178","CuKα","","0.1167","0.0817","","","0.2333","0.2575","","","","","","1.109","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110199","14.5892","0.0004","38.7805","0.001","15.4066","0.0004","90","","102.636","0.001","90","","8505.6","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40.89 H31.78 Cl1.78 F12 N8 P2 Ru -","- C40.891 H31.782 Cl1.782 F12 N8 P2 Ru -","- C327.128 H254.256 Cl14.256 F96 N64 P16 Ru8 -","8","2","","Erin Wachter; Brock S. Howerton; Emily C. Hall; Sean Parkin; Edith C. Glazer","A new type of DNA 'light-switch': a dual photochemical sensor and metalating agent for duplex and G-quadruplex DNA","Chem.Commun.","2014","50","","311","","10.1039/c3cc47269h","","","1.54178","CuKα","","0.0565","0.0513","","","0.1339","0.1384","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110200","16.107","0.008","16.107","0.008","19.012","0.014","90","","90","","90","","4932","5","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C8 H28 Al2 B7 In N6 O16 -","- C8 H28 Al2 B7 In N6 O16 -","- C64 H224 Al16 B56 In8 N48 O128 -","8","0.25","","Lin Cheng; Guo-Yu Yang","A novel aluminoborate open-framework [In(dien)2][Al2B7O16H2] with large chiral cavities templated by chiral main group metal complexes","Chem.Commun.","2014","50","","344","","10.1039/c3cc47440b","","","1.5418","CuKα","","0.0879","0.0695","","","0.1259","0.1344","","","","","","1.048","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110201","10.807","0.002","11.252","0.002","20.073","0.004","76.82","0.03","75.42","0.03","85.76","0.03","2299.7","0.9","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H48 Cl2 Cu2 N6 O16 -","- C41 H47.999 Cl2 Cu2 N6 O16 -","- C82 H95.998 Cl4 Cu4 N12 O32 -","2","1","","Constance Bochot; Aurelie Gouron; Luigi Bubacco; Anne Milet; Christian Philouze; Marius Reglier; Guy Serratrice; Helene Jamet; Catherine Belle","Probing kojic acid binding to tyrosinase enzyme: insights from a model complex and QM/MM calculations","Chem.Commun.","2014","50","","308","","10.1039/c3cc47469k","","x-ray","0.71073","MoKα","","0.0885","0.0701","","","0.1806","0.1922","","","","","","1.149","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110202","14.434","","14.233","","17.487","","90","","92.21","","90","","3589.84","","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H48 N9 O19.5 -","- C27 H39 N9 O19.5 -","- C108 H156 N36 O78 -","4","2","","Atchutarao Pathigoolla; Kana M. Sureshan","Reverse-CD mimics with flexible linkages offer adaptable cavity sizes for guest encapsulation","Chem.Commun.","2014","50","","317","","10.1039/c3cc47734g","","","0.71073","MoKα","","0.1243","0.0663","","","0.1604","0.209","","","","","","1.036","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7110203","9.5329","0.001","11.3713","0.0013","11.5117","0.0012","99.77","0.005","110.985","0.005","111.068","0.005","1021.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H29 Al Br N -","- C21 H29 Al Br N -","- C42 H58 Al2 Br2 N2 -","2","1","","Jillian A. Hatnean; Jordan W. Thomson; Preston A. Chase; Douglas W. Stephan","Imine hydrogenation by alkylaluminum catalysts","Chem.Commun.","2014","50","","301","","10.1039/c3cc47889k","","","0.71073","MoKα","","0.0462","0.039","","","0.103","0.1067","","","","","","1.059","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110204","25.2302","0.0007","25.2302","0.0007","10.3026","0.0006","90","","90","","120","","5679.6","0.4","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C270 H252 O36 -","18","1","","Kazuhiro Hata; Zhiheng He; Constantin Gabriel Daniliuc; Kenichiro Itami; Armido Studer","Synthesis of dihydrobenzo[b]furans by diastereoselective acyloxyarylation","Chem.Commun.","2014","50","","463","","10.1039/c3cc47350c","","","1.54178","CuKα","","0.0503","0.0411","","","0.0971","0.1031","","","","","","1.038","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110205","12.9968","0.0001","13.4352","0.0001","10.0076","0.0001","90","","101.394","0.001","90","","1713.03","0.03","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Kazuhiro Hata; Zhiheng He; Constantin Gabriel Daniliuc; Kenichiro Itami; Armido Studer","Synthesis of dihydrobenzo[b]furans by diastereoselective acyloxyarylation","Chem.Commun.","2014","50","","463","","10.1039/c3cc47350c","","","1.54178","CuKα","","0.0495","0.0455","","","0.118","0.1221","","","","","","1.052","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110206","11.863","0.0013","4.8437","0.0007","12.6119","0.0016","90","","116.802","0.003","90","","646.84","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C28 H32 N4 O8 -","2","1","","M. Su; Maria Tomas-Gamasa; S. Serdjukow; P. Mayer; T. Carell","Synthesis and properties of a Cu(II) complexing pyrazole ligandoside in DNA","Chem.Commun.","2014","50","","409","","10.1039/c3cc47561a","","","0.71073","MoKα","","0.0405","0.0327","","","0.0777","0.0809","","","","","","1.059","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110207","8.3184","0.0019","10.279","0.002","19.396","0.004","90","","99.917","0.002","90","","1633.7","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Br O4 -","- C16 H21 Br O4 -","- C64 H84 Br4 O16 -","4","1","","Yu Peng; Xiao-Bo Xu; Jian Xiao; Ya-Wen Wang","Nickel-mediated stereocontrolled synthesis of spiroketals via tandem cyclization-coupling of beta-bromo ketals and aryl iodides","Chem.Commun.","2014","50","","472","","10.1039/c3cc47780k","","","0.71073","MoKα","","0.0899","0.0461","","","0.0932","0.11","","","","","","1.018","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110208","6.143","0.014","8.81","0.02","19.64","0.04","83.8","0.02","83.37","0.02","76.77","0.02","1024","4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C46 H56 O10 -","2","1","","Yu Peng; Xiao-Bo Xu; Jian Xiao; Ya-Wen Wang","Nickel-mediated stereocontrolled synthesis of spiroketals via tandem cyclization-coupling of beta-bromo ketals and aryl iodides","Chem.Commun.","2014","50","","472","","10.1039/c3cc47780k","","","0.71073","MoKα","","0.1544","0.0963","","","0.2607","0.3259","","","","","","1.079","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110209","11.215","0.018","9.284","0.015","19.41","0.03","90","","90.341","0.019","90","","2021","6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O5 S -","- C21 H24 O5 S -","- C84 H96 O20 S4 -","4","1","","Yu Peng; Xiao-Bo Xu; Jian Xiao; Ya-Wen Wang","Nickel-mediated stereocontrolled synthesis of spiroketals via tandem cyclization-coupling of beta-bromo ketals and aryl iodides","Chem.Commun.","2014","50","","472","","10.1039/c3cc47780k","","","0.71073","MoKα","","0.2024","0.1031","","","0.2647","0.3007","","","","","","1.122","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110210","11.137","0.011","9.246","0.009","18.976","0.018","90","","90.813","0.011","90","","1954","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O5 S -","- C21 H24 O5 S -","- C84 H96 O20 S4 -","4","1","","Yu Peng; Xiao-Bo Xu; Jian Xiao; Ya-Wen Wang","Nickel-mediated stereocontrolled synthesis of spiroketals via tandem cyclization-coupling of beta-bromo ketals and aryl iodides","Chem.Commun.","2014","50","","472","","10.1039/c3cc47780k","","","0.71073","MoKα","","0.2005","0.119","","","0.3704","0.44","","","","","","0.98","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110211","8.616","0.004","22.68","0.012","18.209","0.009","90","","96.02","0.006","90","","3539","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 I2 O2 -","- C16 H20 I2 O2 -","- C128 H160 I16 O16 -","8","2","","Yu Peng; Xiao-Bo Xu; Jian Xiao; Ya-Wen Wang","Nickel-mediated stereocontrolled synthesis of spiroketals via tandem cyclization-coupling of beta-bromo ketals and aryl iodides","Chem.Commun.","2014","50","","472","","10.1039/c3cc47780k","","","0.71073","MoKα","","0.0776","0.0423","","","0.0718","0.083","","","","","","1","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110212","18.0667","0.0009","19.2883","0.001","28.4424","0.0011","90","","125.387","0.002","90","","8080.4","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H152 N24 Sc6 -","- C66 H152 N24 Sc6 -","- C264 H608 N96 Sc24 -","4","1","","Peng Cui; Thomas P. Spaniol; Laurent Maron; Jun Okuda","An ion pair scandium hydride supported by a dianionic (NNNN)-type macrocycle ligand","Chem.Commun.","2014","50","","424","","10.1039/c3cc47805j","","","0.71073","MoKα","","0.0793","0.0526","","","0.125","0.1414","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7110213","14.1746","0.0009","11.2268","0.0007","17.1826","0.001","90","","90.8428","0.001","90","","2734.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 N8 Sc2 -","- C22 H50 N8 Sc2 -","- C88 H200 N32 Sc8 -","4","1","","Peng Cui; Thomas P. Spaniol; Laurent Maron; Jun Okuda","An ion pair scandium hydride supported by a dianionic (NNNN)-type macrocycle ligand","Chem.Commun.","2014","50","","424","","10.1039/c3cc47805j","","","0.71073","MoKα","","0.0542","0.0433","","","0.1118","0.1187","","","","","","1.002","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110214","19.2442","0.0017","19.2442","0.0017","21.4089","0.0019","90","","90","","120","","6866.3","1.1","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C120 H243 N36 O3 S3 Sc9 -","- C120 H243 N36 O3 S3 Sc9 -","- C240 H486 N72 O6 S6 Sc18 -","2","0.333333","","Peng Cui; Thomas P. Spaniol; Laurent Maron; Jun Okuda","An ion pair scandium hydride supported by a dianionic (NNNN)-type macrocycle ligand","Chem.Commun.","2014","50","","424","","10.1039/c3cc47805j","","","0.71073","MoKα","","0.0743","0.0665","","","0.1758","0.1845","","","","","","1.041","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110215","10.2881","0.0015","11.0671","0.0016","11.2031","0.0016","88.609","0.003","70.855","0.003","79.324","0.003","1183.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O4 Zn -","- C28 H24 N2 O4 Zn -","- C56 H48 N4 O8 Zn2 -","2","1","","Anjana Chanthapally; Wei Ting Oh; Jagadese J. Vittal","Photoreactivity of polymorphs of a ladder polymer with criss-cross and parallel orientations of C[double bond, length as m-dash]C bonds","Chem.Commun.","2014","50","","451","","10.1039/c3cc47816e","","","0.71073","MoKα","","0.0672","0.0522","","","0.122","0.1278","","","","","","1.045","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110216","15.6758","0.0014","13.6884","0.0012","22.957","0.002","90","","102.617","0.002","90","","4807.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O4 Zn -","- C28 H24 N2 O4 Zn -","- C224 H192 N16 O32 Zn8 -","8","1","","Anjana Chanthapally; Wei Ting Oh; Jagadese J. Vittal","Photoreactivity of polymorphs of a ladder polymer with criss-cross and parallel orientations of C[double bond, length as m-dash]C bonds","Chem.Commun.","2014","50","","451","","10.1039/c3cc47816e","","","0.71073","MoKα","","0.068","0.0506","","","0.12","0.1348","","","","","","1.071","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110217","8.2441","0.001","11.3889","0.0013","11.8203","0.0015","67.142","0.005","72.808","0.005","77.218","0.005","969.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 N O4 Zn -","- C22 H19 N O4 Zn -","- C44 H38 N2 O8 Zn2 -","2","1","","Anjana Chanthapally; Wei Ting Oh; Jagadese J. Vittal","Photoreactivity of polymorphs of a ladder polymer with criss-cross and parallel orientations of C[double bond, length as m-dash]C bonds","Chem.Commun.","2014","50","","451","","10.1039/c3cc47816e","","","0.71073","MoKα","","0.0406","0.0296","","","0.0596","0.0626","","","","","","1.011","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110218","10.208","0.007","10.368","0.007","11.703","0.008","87.864","0.012","74.045","0.012","81.843","0.012","1178.8","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O4 Zn -","- C28 H24 N2 O4 Zn -","- C56 H48 N4 O8 Zn2 -","2","1","","Anjana Chanthapally; Wei Ting Oh; Jagadese J. Vittal","Photoreactivity of polymorphs of a ladder polymer with criss-cross and parallel orientations of C[double bond, length as m-dash]C bonds","Chem.Commun.","2014","50","","451","","10.1039/c3cc47816e","","","0.71073","MoKα","","0.0775","0.0498","","","0.1166","0.1267","","","","","","1.003","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110219","18.2975","0.0012","15.668","0.0006","15.2402","0.0011","90","","114.497","0.009","90","","3975.8","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 Ge N13 -","- C37 H49 Ge N13 -","- C148 H196 Ge4 N52 -","4","1","","Yun Xiong; Shenglai Yao; Matthias Driess","Synthesis and structure of the azidogermyliumylidene azide complex [L(N3)Ge:]^+^N3^-^ with covalently and ionically bonded azide ligands at germanium(II) [L = bis(N-heterocyclic carbene)]","Chem.Commun.","2014","50","","418","","10.1039/c3cc48166b","","","0.71073","MoKα","","0.052","0.0371","","","0.0761","0.0816","","","","","","1.012","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110220","14.1255","0.0012","12.1448","0.0009","31.202","0.003","90","","91.799","0.008","90","","5350.1","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H64.5 B Cl Ge N5.5 -","- C58 H64.5 B Cl Ge N5.5 -","- C232 H258 B4 Cl4 Ge4 N22 -","4","1","","Yun Xiong; Shenglai Yao; Matthias Driess","Synthesis and structure of the azidogermyliumylidene azide complex [L(N3)Ge:]^+^N3^-^ with covalently and ionically bonded azide ligands at germanium(II) [L = bis(N-heterocyclic carbene)]","Chem.Commun.","2014","50","","418","","10.1039/c3cc48166b","","","0.71073","MoKα","","0.1337","0.0793","","","0.136","0.1582","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110221","14.1299","0.0003","12.315","0.0002","30.9315","0.0007","90","","91.667","0.002","90","","5380.1","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H63 B Ge N8 -","- C57 H63 B Ge N8 -","- C228 H252 B4 Ge4 N32 -","4","1","","Yun Xiong; Shenglai Yao; Matthias Driess","Synthesis and structure of the azidogermyliumylidene azide complex [L(N3)Ge:]^+^N3^-^ with covalently and ionically bonded azide ligands at germanium(II) [L = bis(N-heterocyclic carbene)]","Chem.Commun.","2014","50","","418","","10.1039/c3cc48166b","","","1.5418","CuKα","","0.0616","0.0579","","","0.1469","0.1495","","","","","","1.079","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110222","14.0669","0.0001","14.0669","0.0001","14.0669","0.0001","90","","90","","90","","2783.53","0.03","20","","20","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C60 H2 O -","- C60 H2.004 O -","- C240 H8.016 O4 -","4","0.166667","","Shinobu Aoyagi; Norihisa Hoshino; Tomoyuki Akutagawa; Yuki Sado; Ryo Kitaura; Hisanori Shinohara; Kunihisa Sugimoto; Rui Zhang; Yasujiro Murata","A cubic dipole lattice of water molecules trapped inside carbon cages","Chem.Commun.","2014","50","","524","","10.1039/c3cc46683c","","","0.49917","synchrotron","","0.036","0.0322","","","0.0851","0.0901","","","","","","","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110223","8.0638","0.0002","12.312","0.0004","17.2952","0.0005","90","","90","","90","","1717.09","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Anne Miersch; Klaus Harms; Gerhard Hilt","Zinc-mediated addition of diethyl bromomalonate to alkynes for the cascade reaction towards polysubstituted pyranones and tetracarbonyl derivatives","Chem.Commun.","2014","50","","542","","10.1039/c3cc46788k","","","0.71073","MoKα","","0.0326","0.0309","","","0.0609","0.0614","","","","","","1.051","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110224","10.724","0.0004","16.7441","0.0006","9.1552","0.0003","90","","104.301","0.002","90","","1593","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Anne Miersch; Klaus Harms; Gerhard Hilt","Zinc-mediated addition of diethyl bromomalonate to alkynes for the cascade reaction towards polysubstituted pyranones and tetracarbonyl derivatives","Chem.Commun.","2014","50","","542","","10.1039/c3cc46788k","","","0.71073","MoKα","","0.0466","0.0334","","","0.0738","0.0801","","","","","","1.048","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110225","8.056","0.0003","9.6155","0.0003","9.8824","0.0003","95.471","0.002","104.231","0.002","111.323","0.002","676.61","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C32 H32 O8 -","2","1","","Anne Miersch; Klaus Harms; Gerhard Hilt","Zinc-mediated addition of diethyl bromomalonate to alkynes for the cascade reaction towards polysubstituted pyranones and tetracarbonyl derivatives","Chem.Commun.","2014","50","","542","","10.1039/c3cc46788k","","","0.71073","MoKα","","0.0386","0.0332","","","0.0885","0.1023","","","","","","1.108","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110226","9.5427","0.0019","13.247","0.003","35.237","0.007","90","","93.01","0.03","90","","4448.2","1.6","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54.5 H45.5 B Ir N5 O0.75 -","- C54.5 H45 B Ir N5 O0.75 -","- C218 H180 B4 Ir4 N20 O3 -","4","1","","Dongxin Ma; Lian Duan; Yongge Wei; Lei He; Liduo Wang; Yong Qiu","Increased phosphorescent quantum yields of cationic iridium(III) complexes by wisely controlling the counter anions","Chem.Commun.","2014","50","","530","","10.1039/c3cc47362g","","","0.71073","MoKα","","0.04","0.0334","","","0.0657","0.0689","","","","","","1.086","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110227","12.88","0.003","13.731","0.003","17.199","0.003","77.2","0.03","85.04","0.03","63.44","0.03","2652.8","1.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H42 B F12 Ir N6 -","- C60 H42 B F12 Ir N6 -","- C120 H84 B2 F24 Ir2 N12 -","2","1","","Dongxin Ma; Lian Duan; Yongge Wei; Lei He; Liduo Wang; Yong Qiu","Increased phosphorescent quantum yields of cationic iridium(III) complexes by wisely controlling the counter anions","Chem.Commun.","2014","50","","530","","10.1039/c3cc47362g","","","0.71073","MoKα","","0.0544","0.0532","","","0.1426","0.1437","","","","","","1.104","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110228","5.2943","0.0004","9.7777","0.0008","14.786","0.0012","107.491","0.002","90.824","0.002","93.038","0.002","728.63","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","dicyano-isoindigo","6,6'-dicyano-N.N'-(1-octyl)isoindigo","","- C34 H40 N4 O2 -","- C34 H40 N4 O2 -","- C34 H40 N4 O2 -","1","0.5","","Wan Yue; Tao He; Matthias Stolte; Marcel Gsanger; Frank Wurthner","Cyanated isoindigos for n-type and ambipolar organic thin film transistors","Chem.Commun.","2014","50","","545","","10.1039/c3cc48037b","","","1.54178","CuKα","","0.0422","0.0407","","","0.1135","0.1155","","","","","","1.076","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110229","30.988","0.006","30.988","0.006","45.964","0.008","90","","90","","90","","44137","14","110","2","110","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C159 H255 Cu6 N3 O63 S36 -","- C87 H39 Cu6 N3 O33 -","- C696 H312 Cu48 N24 O264 -","8","0.5","","Yabo Xie; Hui Yang; Zhiyong U. Wang; Yangyang Liu; Hong-Cai Zhou; Jian-Rong Li","Unusual preservation of polyhedral molecular building units in a metal-organic framework with evident desymmetrization in ligand design","Chem.Commun.","2014","50","","563","","10.1039/c3cc48089e","","","0.71073","MoKα","","0.1032","0.0553","","","0.1499","0.167","","","","","","1.038","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110230","16.1715","0.0016","16.307","0.0016","17.978","0.0018","79.131","0.001","71.732","0.001","86.363","0.001","4421.2","0.8","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C156 H168 Cu4 N16 O32 -","- C124 H96 Cu4 N8 O24 -","- C124 H96 Cu4 N8 O24 -","1","0.5","","Yabo Xie; Hui Yang; Zhiyong U. Wang; Yangyang Liu; Hong-Cai Zhou; Jian-Rong Li","Unusual preservation of polyhedral molecular building units in a metal-organic framework with evident desymmetrization in ligand design","Chem.Commun.","2014","50","","563","","10.1039/c3cc48089e","","","0.71073","MoKα","","0.074","0.0584","","","0.1992","0.2095","","","","","","1.173","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110231","11.7222","0.0003","8.40571","0.00017","12.7175","0.0003","90","","101.724","0.003","90","","1226.96","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H34 N2 O4 S -","- C25 H34 N2 O4 S -","- C50 H68 N4 O8 S2 -","2","1","","Pierre-Loic Jacquemin; Koen Robeyns; Michel Devillers; Yann Garcia","Reversible photochromism of an N-salicylidene aniline anion","Chem.Commun.","2014","50","","649","","10.1039/c3cc45080e","","","0.71073","MoKα","","0.0432","0.0381","","","0.0832","0.0857","","","","","","1.05","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110232","5.6851","0.0012","16.633","0.004","13.304","0.003","90","","99.518","0.004","90","","1240.7","0.5","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H24 F3 O4 P S -","- C25 H24 F3 O4 P S -","- C50 H48 F6 O8 P2 S2 -","2","1","","Junzhu Lu; Jinxing Ye; Wei-Liang Duan","Palladium-catalyzed asymmetric 1,6-addition of diarylphosphines to alpha,beta,gamma,delta-unsaturated sulfonic esters: controlling regioselectivity by rational selection of electron-withdrawing groups","Chem.Commun.","2014","50","","698","","10.1039/c3cc46290k","","","0.71073","MoKα","","0.0691","0.0513","","","0.1135","0.1236","","","","","","1.029","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110233","28.287","0.0014","6.8971","0.0003","30.2116","0.0014","90","","99.585","0.004","90","","5811.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H14 N2 O14 Tb -","- C28 H12 N2 O14 Tb -","- C224 H96 N16 O112 Tb8 -","8","1","","Yuanjing Cui; Wenfeng Zou; Ruijing Song; Jiancan Yu; Wenqian Zhang; Yu Yang; Guodong Qian","A ratiometric and colorimetric luminescent thermometer over a wide temperature range based on a lanthanide coordination polymer","Chem.Commun.","2014","50","","719","","10.1039/c3cc47225f","","","0.71073","MoKα","","0.0584","0.0562","","","0.1658","0.1672","","","","","","1.173","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110234","9.2217","0.001","10.8168","0.0012","13.0876","0.0017","75.035","0.005","69.904","0.006","83.819","0.007","1184.2","0.2","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 Cl2 Hg N4 -","- C27 H20 Cl2 Hg N4 -","- C54 H40 Cl4 Hg2 N8 -","2","1","","Biswa Nath Ghosh; Sandip Bhowmik; Prasenjit Mal; Kari Rissanen","A highly selective, Hg2+ triggered hydrogelation: modulation of morphology by chemical stimuli","Chem.Commun.","2014","50","","734","","10.1039/c3cc47591c","","","0.71073","MoKα","","0.069","0.0452","","","0.0918","0.1022","","","","","","1.037","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110235","14.9833","0.0018","15.0663","0.0018","15.8285","0.0019","90","","90","","90","","3573.2","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cl2 Fe N6 O10 -","- C30 H44 Cl2 Fe N6 O10 -","- C120 H176 Cl8 Fe4 N24 O40 -","4","1","","Olga V. Makhlynets; Williamson N. Oloo; Yurii S. Moroz; Irina G. Belaya; Taryn D. Palluccio; Alexander S. Filatov; Peter Muller; Matthew A. Cranswick; Lawrence Que; Elena V. Rybak-Akimova","H2O2 activation with biomimetic non-haem iron complexes and AcOH: connecting the g = 2.7 EPR signal with a visible chromophore","Chem.Commun.","2014","50","","645","","10.1039/c3cc47632d","","","0.71073","Mo-Kα","","0.1362","0.0771","","","0.175","0.2054","","","","","","1.053","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110236","21.9192","0.0014","15.582","0.001","19.0923","0.0012","90","","90","","90","","6520.9","0.7","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C26 H40 Cl2 Fe N6 O10 -","- C26 H40 Cl2 Fe N6 O10 -","- C208 H320 Cl16 Fe8 N48 O80 -","8","0.5","","Olga V. Makhlynets; Williamson N. Oloo; Yurii S. Moroz; Irina G. Belaya; Taryn D. Palluccio; Alexander S. Filatov; Peter Muller; Matthew A. Cranswick; Lawrence Que; Elena V. Rybak-Akimova","H2O2 activation with biomimetic non-haem iron complexes and AcOH: connecting the g = 2.7 EPR signal with a visible chromophore","Chem.Commun.","2014","50","","645","","10.1039/c3cc47632d","","","0.71073","Mo-Kα","","0.0655","0.0621","","","0.1672","0.1712","","","","","","1.039","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110237","28.316","0.012","27.21","0.012","25.335","0.011","90","","104.156","0.009","90","","18927","14","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C140 H226 Cl12 Fe6 N28 O69.2 -","- C140 H226 Cl12 Fe6 N28 O69.2 -","- C560 H904 Cl48 Fe24 N112 O276.8 -","4","0.5","","Olga V. Makhlynets; Williamson N. Oloo; Yurii S. Moroz; Irina G. Belaya; Taryn D. Palluccio; Alexander S. Filatov; Peter Muller; Matthew A. Cranswick; Lawrence Que; Elena V. Rybak-Akimova","H2O2 activation with biomimetic non-haem iron complexes and AcOH: connecting the g = 2.7 EPR signal with a visible chromophore","Chem.Commun.","2014","50","","645","","10.1039/c3cc47632d","","","0.71073","Mo-Kα","","0.1049","0.0792","","","0.2206","0.2424","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7110238","13.8725","0.0015","18.435","0.002","26.781","0.003","90","","90","","90","","6849","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H84 Cl4 Fe2 N10 O22 -","- C56 H84 Cl4 Fe2 N10 O22 -","- C224 H336 Cl16 Fe8 N40 O88 -","4","1","","Olga V. Makhlynets; Williamson N. Oloo; Yurii S. Moroz; Irina G. Belaya; Taryn D. Palluccio; Alexander S. Filatov; Peter Muller; Matthew A. Cranswick; Lawrence Que; Elena V. Rybak-Akimova","H2O2 activation with biomimetic non-haem iron complexes and AcOH: connecting the g = 2.7 EPR signal with a visible chromophore","Chem.Commun.","2014","50","","645","","10.1039/c3cc47632d","","","0.71073","MoKα","","0.0588","0.041","","","0.0869","0.0963","","","","","","1.034","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110239","12.1985","0.0003","14.5752","0.0004","16.913","0.0004","102.455","0.002","108.834","0.002","99.854","0.002","2683.11","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H41 B F24 Ir N3 -","- C53 H41 B F24 Ir N3 -","- C106 H82 B2 F48 Ir2 N6 -","2","1","","James E. Wheatley; C. Andre Ohlin; Adrian B. Chaplin","Solvent promoted reversible cyclometalation in a tethered NHC iridium complex","Chem.Commun.","2014","50","","685","","10.1039/c3cc48015a","","","0.7107","MoKα","","0.0508","0.0443","","","0.1059","0.1107","","","","","","1.04","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110240","12.84071","0.00012","13.68282","0.00019","19.1287","0.0004","73.1727","0.0014","79.4153","0.0012","85.7285","0.0009","3161.4","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H51 B F24 Ir N3 -","- C67 H51 B F24 Ir N3 -","- C134 H102 B2 F48 Ir2 N6 -","2","1","","James E. Wheatley; C. Andre Ohlin; Adrian B. Chaplin","Solvent promoted reversible cyclometalation in a tethered NHC iridium complex","Chem.Commun.","2014","50","","685","","10.1039/c3cc48015a","","","0.7107","MoKα","","0.0512","0.0481","","","0.1091","0.111","","","","","","1.131","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110241","12.1608","0.0002","14.5984","0.0002","16.9119","0.0003","102.423","0.0014","108.559","0.0017","99.8392","0.0013","2685.08","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H41 B F24 N3 Rh -","- C53 H41 B F24 N3 Rh -","- C106 H82 B2 F48 N6 Rh2 -","2","1","","James E. Wheatley; C. Andre Ohlin; Adrian B. Chaplin","Solvent promoted reversible cyclometalation in a tethered NHC iridium complex","Chem.Commun.","2014","50","","685","","10.1039/c3cc48015a","","","0.7107","MoKα","","0.0834","0.079","","","0.2059","0.21","","","","","","1.023","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110242","7.8079","0.0006","14.4168","0.0011","16.8239","0.0012","90","","99.632","0.002","90","","1867.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Br2 O3 -","- C21 H16 Br2 O3 -","- C84 H64 Br8 O12 -","4","1","","Peng Wang; Saihu Liao; Jian-Bo Zhu; Yong Tang","Double gamma-alkylation of allylic phosphorus ylides: a unique access to oxa-bicyclic[3.3.0] diene skeletons","Chem.Commun.","2014","50","","808","","10.1039/c3cc45286g","","","0.71073","MoKα","","0.0617","0.0401","","","0.0958","0.1066","","","","","","1.019","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110243","9.5869","0.0005","35.5331","0.0019","10.4715","0.0006","90","","104.27","0.001","90","","3457.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 Br O4.5 P -","- C39 H35 Br O4.5 P -","- C156 H140 Br4 O18 P4 -","4","1","","Peng Wang; Saihu Liao; Jian-Bo Zhu; Yong Tang","Double gamma-alkylation of allylic phosphorus ylides: a unique access to oxa-bicyclic[3.3.0] diene skeletons","Chem.Commun.","2014","50","","808","","10.1039/c3cc45286g","","","0.71073","MoKα","","0.075","0.0493","","","0.112","0.1241","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110244","16.3366","0.0013","14.6059","0.0012","17.7679","0.0014","90","","105.468","0.001","90","","4086.1","0.6","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 Cl2 O7 Rh2 -","- C46 H46 Cl2 O7 Rh2 -","- C184 H184 Cl8 O28 Rh8 -","4","1","","Peng Wang; Saihu Liao; Jian-Bo Zhu; Yong Tang","Double gamma-alkylation of allylic phosphorus ylides: a unique access to oxa-bicyclic[3.3.0] diene skeletons","Chem.Commun.","2014","50","","808","","10.1039/c3cc45286g","","","0.71073","MoKα","","0.0469","0.031","","","0.0736","0.0827","","","","","","1.024","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110245","14.6663","0.0003","14.6663","0.0003","24.9609","0.0011","90","","90","","90","","5369.1","0.3","185","2","185","2","","","","","","","","7","P -4 2 c","P -4 2c","112","","","","- C10.8 H25.2 Ga0.8 N1.8 O2.8 S6.5 Sn2.7 -","- Ga0.807 O S6.5 Sn2.693 -","- Ga6.456 O8 S52 Sn21.544 -","8","1","","Xiaohui Han; Zhenqing Wang; Dan Liu; Jin Xu; Yongxin Liu; Cheng Wang","Co-assembly of a three-dimensional open framework sulfide with a novel linkage between an oxygen-encapsulated T3 cluster and a supertetrahedral T2 cluster","Chem.Commun.","2014","50","","796","","10.1039/c3cc45439h","","","0.71073","MoKα","","0.0612","0.0516","","","0.1517","0.1586","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110246","27.876","0.003","31.252","0.004","4.0004","0.0005","90","","90","","90","","3485.1","0.7","296","2","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","oxobenzene bisdithiazolyl","","","- C6 H N2 O S4 -","- C6 H N2 O S4 -","- C96 H16 N32 O16 S64 -","16","1","","Joanne W. L. Wong; Aaron Mailman; Stephen M. Winter; Craig M. Robertson; Rebecca J. Holmberg; Muralee Murugesu; Paul A. Dubed; Richard T. Oakley","Supramolecular architecture, crystal structure and transport properties of the prototypal oxobenzene-bridged bisdithiazolyl radical conductor","Chem.Commun.","2014","50","","785","","10.1039/c3cc46686h","","","0.6889","Synchrotron","","0.0256","0.0235","","","0.0524","0.0533","","","","","","1.114","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110247","10.8228","0.0011","11.4209","0.0012","24.907","0.002","91.283","0.005","93.181","0.006","117.615","0.006","2719.7","0.5","140","2","140","2","","","","","","","","5","P -1","-P 1","2","[Ni(PCy2NPyridazine2)2]","","","- C26 H40 N6 Ni0.5 P2 -","- C26 H40 N6 Ni0.5 P2 -","- C104 H160 N24 Ni2 P8 -","4","2","","Sheri Lense; Arnab Dutta; John A. S. Roberts; Wendy J. Shaw","A proton channel allows a hydrogen oxidation catalyst to operate at a moderate overpotential with water acting as a base","Chem.Commun.","2014","50","","792","","10.1039/c3cc46829a","","x-ray","0.71073","MoKα","","0.0707","0.0483","","","0.1173","0.1302","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110248","33.87","0.0015","8.4954","0.0004","21.9238","0.001","90","","110.475","0.001","90","","5909.8","0.5","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tetramethylammonium pentaniobotellurate hydrate","","","- C20 H94 N5 Nb5 O39.25 Te -","- C20 H94 N5 Nb5.046 O39.29 Te0.954 -","- C80 H376 N20 Nb20.184 O157.16 Te3.816 -","4","0.5","","Jung-Ho Son; Jiarui Wang; Frank E. Osterloh; Ping Yu; William H. Casey","A tellurium-substituted Lindqvist-type polyoxoniobate showing high H2 evolution catalyzed by tellurium nanowires via photodecomposition","Chem.Commun.","2014","50","","836","","10.1039/c3cc47001f","","","0.71073","MoKα","","0.019","0.0163","","","0.0397","0.0407","","","","","","1.04","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110249","16.233","0.003","16.707","0.003","17.691","0.003","63.27","0.006","80.447","0.007","65.254","0.006","3890.2","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H156 Mn25 N60 Na O54 -","- C84 H124 Mn25 N60 Na O46 -","- C84 H124 Mn25 N60 Na O46 -","1","0.5","","Dimosthenis P. Giannopoulos; Annaliese Thuijs; Wolfgang Wernsdorfer; Melanie Pilkington; George Christou; Theocharis C. Stamatatos","Supramolecular chains of high nuclearity {MnIII25} barrel-like single molecule magnets","Chem.Commun.","2014","50","","779","","10.1039/c3cc47094f","","","0.71073","MoKα","","0.125","0.0917","","","0.2059","0.2206","","","","","","1.081","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110250","9.963","0.003","11.105","0.003","13.816","0.004","87.975","0.006","76.8","0.005","73.219","0.005","1424.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 B N O -","- C34 H38 B N O -","- C68 H76 B2 N2 O2 -","2","1","","Dong-Mei Chen; Qian Qin; Zuo-Bang Sun; Qian Peng; Cui-Hua Zhao","Synthesis and properties of B,N-bridged p-terphenyls","Chem.Commun.","2014","50","","782","","10.1039/c3cc47141a","","","0.71073","MoKα","","0.1298","0.0686","","","0.1767","0.2242","","","","","","0.969","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110251","5.8136","0.0002","20.7534","0.0008","7.4685","0.0003","90","","103.62","0.004","90","","875.75","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Br O2 -","- C8 H9 Br O2 -","- C32 H36 Br4 O8 -","4","1","","Yang Gao; Wanqing Wu; Huawen Huang; Yubing Huang; Huanfeng Jiang","Palladium-catalyzed intermolecular [3 + 2] carbocyclization of alkynols and propiolates: an efficient entry to halo-cyclopentadienes","Chem.Commun.","2014","50","","846","","10.1039/c3cc47310d","","","0.71073","MoKα","","0.0375","0.0279","","","0.061","0.0655","","","","","","1.005","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7110252","5.7661","0.0001","11.1691","0.0002","22.752","0.0005","90","","91.966","0.002","90","","1464.42","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Br O4 -","- C15 H20 Br O4 -","- C60 H80 Br4 O16 -","4","1","","Yang Gao; Wanqing Wu; Huawen Huang; Yubing Huang; Huanfeng Jiang","Palladium-catalyzed intermolecular [3 + 2] carbocyclization of alkynols and propiolates: an efficient entry to halo-cyclopentadienes","Chem.Commun.","2014","50","","846","","10.1039/c3cc47310d","","","0.71073","MoKα","","0.059","0.0462","","","0.1037","0.1114","","","","","","1.03","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110253","10.0392","0.0006","16.3516","0.001","14.6824","0.0008","90","","93.4204","0.0016","90","","2405.9","0.2","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 B2 F8 O2 Pd3 -","- C22 H22 B2 F8 O2 Pd3 -","- C88 H88 B8 F32 O8 Pd12 -","4","1","","Tetsuro Murahashi; Seita Kimura; Kohei Takase; Tomohito Uemura; Sensuke Ogoshi; Koji Yamamoto","Bis-cyclooctatetraene tripalladium sandwich complexes","Chem.Commun.","2014","50","","820","","10.1039/c3cc47515h","","","0.71075","MoKα","","","0.054","","","","0.0602","","","","","","1.077","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110254","25.3856","0.0012","24.7751","0.001","11.8833","0.0006","90","","93.678","0.001","90","","7458.4","0.6","123","","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C81 H70 B2 Cl2 F8 P4 Pd2 -","- C80 H68 B2 F8 P4 Pd2 -","- C320 H272 B8 F32 P16 Pd8 -","4","0.5","","Tetsuro Murahashi; Seita Kimura; Kohei Takase; Tomohito Uemura; Sensuke Ogoshi; Koji Yamamoto","Bis-cyclooctatetraene tripalladium sandwich complexes","Chem.Commun.","2014","50","","820","","10.1039/c3cc47515h","","","0.71075","MoKα","","0.1153","0.0727","","","0.2067","0.2643","","","","","","0.913","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110255","13.664","0.0006","15.9211","0.0007","19.2494","0.0009","90","","90","","90","","4187.6","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H29 Cl3 Ru2 -","- C20 H29 Cl3 Ru2 -","- C160 H232 Cl24 Ru16 -","8","1","","Basujit Chatterjee; Chidambaram Gunanathan","Ruthenium catalyzed selective hydrosilylation of aldehydes","Chem.Commun.","2014","50","","888","","10.1039/c3cc47593j","","","0.71073","MoKα","","0.026","0.0195","","","0.0424","0.0447","","","","","","1.037","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110256","16.4631","0.0015","8.72","0.0008","17.7452","0.0016","90","","102.003","0.004","90","","2491.8","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 Ru Si2 -","- C22 H46 Ru Si2 -","- C88 H184 Ru4 Si8 -","4","1","","Basujit Chatterjee; Chidambaram Gunanathan","Ruthenium catalyzed selective hydrosilylation of aldehydes","Chem.Commun.","2014","50","","888","","10.1039/c3cc47593j","","","0.71073","MoKα","","0.0359","0.0299","","","0.071","0.0745","","","","","","1.028","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110257","33.5853","0.0015","6.6602","0.0003","21.7816","0.001","90","","99.059","0.002","90","","4811.4","0.4","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","1a","","","- C54 H90 O2 -","- C54 H90 O2 -","- C216 H360 O8 -","4","1","","Jian-Rong Wang; Chun Zhou; Xueping Yu; Xuefeng Mei","Stabilizing vitamin D3 by conformationally selective co-crystallization","Chem.Commun.","2014","50","","855","","10.1039/c3cc47747a","","","0.71073","MoKα","","0.0748","0.0531","","","0.1245","0.1383","","","","","","1.035","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110258","33.2196","0.001","6.8885","0.0003","21.612","0.0007","90","","98.464","0.002","90","","4891.7","0.3","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","1b","","","- C54 H92 O2 -","- C54 H92 O2 -","- C216 H368 O8 -","4","1","","Jian-Rong Wang; Chun Zhou; Xueping Yu; Xuefeng Mei","Stabilizing vitamin D3 by conformationally selective co-crystallization","Chem.Commun.","2014","50","","855","","10.1039/c3cc47747a","","","0.71073","MoKα","","0.1272","0.0642","","","0.1018","0.1186","","","","","","0.987","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110259","9.7365","0.0019","13.149","0.003","16.654","0.003","99.609","0.003","94.376","0.003","111.343","0.003","1936.1","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.5 H34 Cl Fe3 O4 P2 S2 -","- C41.5 H34 Cl Fe3 O4 P2 S2 -","- C83 H68 Cl2 Fe6 O8 P4 S4 -","2","1","","Shishir Ghosh; Graeme Hogarth; Nathan Hollingsworth; Katherine B. Holt; Shariff E. Kabir; Ben E. Sanchez","Hydrogenase biomimetics: Fe2(CO)4(mu-dppf)(mu-pdt) (dppf = 1,1'-bis(diphenylphosphino)ferrocene) both a proton-reduction and hydrogen oxidation catalyst","Chem.Commun.","2014","50","","945","","10.1039/c3cc46456c","","","0.71073","MoKα","","0.0374","0.0345","","","0.0911","0.0929","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110260","12.8569","0.0009","17.7885","0.0013","13.5948","0.001","90","","104.691","0.004","90","","3007.6","0.4","180","1","180","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H72 F N10 Zn2 -","- C64 H72 F N10 Zn2 -","- C128 H144 F2 N20 Zn4 -","2","0.5","","S. Gondzik; S. Schulz; D. Blaser; C. Wolper; R. Haack; G. Jansena","Reactions of a Zn(I) complex with group 14 azides ‒ formation of zinc azide and zinc hexazene complexes","Chem.Commun.","2014","50","","927","","10.1039/c3cc47687a","","","0.71073","MoKα","","0.0618","0.0395","","","0.1043","0.1178","","","","","","1.031","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110261","10.329","0.004","10.683","0.004","21.433","0.007","90","","92.916","0.006","90","","2362","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O2 -","- C30 H24 N2 O2 -","- C120 H96 N8 O8 -","4","1","","Erqing Li; You Huang","Phosphine-catalyzed domino reaction: a novel sequential [2+3] and [3+2] annulation reaction of gamma-substituent allenoates to construct bicyclic[3, 3, 0]octene derivatives","Chem.Commun.","2014","50","","948","","10.1039/c3cc47716a","","","0.71073","MoKα","","0.061","0.0514","","","0.124","0.1311","","","","","","1.096","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110262","8.3519","0.0017","12.047","0.002","15.107","0.003","98.79","0.03","98.78","0.03","99.16","0.03","1458.4","0.5","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C54 H60 Ag2 F12 N18 O2 P2 -","- C54 H60 Ag2 F12 N18 O2 P2 -","- C54 H60 Ag2 F12 N18 O2 P2 -","1","1","","Hai-Xia Liu; Xin He; Liang Zhao","Metallamacrocycle-modified gold nanoparticles: a new pathway for surface functionalization","Chem.Commun.","2014","50","","971","","10.1039/c3cc47722c","","","0.71073","MoKα","","0.0745","0.0681","","","0.1587","0.1667","","","","","","1.062","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110263","21.3858","0.0009","13.9075","0.0007","30.0241","0.0013","90","","102.41","0.003","90","","8721.2","0.7","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H73 Au2 F12 N26 O15 S4 -","- C78 H73 Au2 F12 N26 O15 S4 -","- C312 H292 Au8 F48 N104 O60 S16 -","4","1","","Hai-Xia Liu; Xin He; Liang Zhao","Metallamacrocycle-modified gold nanoparticles: a new pathway for surface functionalization","Chem.Commun.","2014","50","","971","","10.1039/c3cc47722c","","","1.54178","CuKα","","0.0831","0.074","","","0.1923","0.2043","","","","","","1.047","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110264","8.1267","0.0003","14.4806","0.0007","15.9625","0.0009","90","","90","","90","","1878.46","0.16","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br N O4 -","- C21 H18 Br N O4 -","- C84 H72 Br4 N4 O16 -","4","1","","Jianfeng Zheng; Lili Lin; Yulong Kuang; Jiannan Zhao; Xiaohua Liu; Xiaoming Feng","Magnesium(II)-catalyzed asymmetric hetero-Diels-Alder reaction of Brassard's dienes with isatins","Chem.Commun.","2014","50","","994","","10.1039/c3cc47800a","","","0.7107","MoKα","","0.0775","0.0476","","","0.0697","0.0789","","","","","","1.016","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110265","12.533","0.001","14.7221","0.0011","19.3984","0.0015","90.039","0.001","100.391","0.001","90.064","0.001","3520.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 I N3 Se -","- C38 H48 I N3 Se -","- C152 H192 I4 N12 Se4 -","4","2","","Guanghui Cheng; Jiangli Fan; Wen Sun; Jianfang Cao; Chong Hu; Xiaojun Peng","A near-infrared fluorescent probe for selective detection of HClO based on Se-sensitized aggregation of heptamethine cyanine dye","Chem.Commun.","2014","50","","1018","","10.1039/c3cc47864e","","","0.71073","MoKα","","0.1183","0.1098","","","0.4022","0.4287","","","","","","1.09","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110266","10.0938","0.0005","19.9876","0.001","11.2239","0.0006","90","","115.15","0.002","90","","2049.76","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","1","","Changcheng Jing; Dong Xing; Wenhao Hu","Highly diastereoselective synthesis of 3-hydroxy-2,2,3-trisubstituted indolines via intramolecular trapping of ammonium ylides with ketones","Chem.Commun.","2014","50","","951","","10.1039/c3cc48067d","","","0.71073","MoKα","","0.093","0.0639","","","0.1741","0.2001","","","","","","1.022","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110267","10.7586","0.0006","16.5601","0.001","21.471","0.0013","90","","90","","90","","3825.3","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C192 H168 N8 O24 -","8","1","","Changcheng Jing; Dong Xing; Wenhao Hu","Highly diastereoselective synthesis of 3-hydroxy-2,2,3-trisubstituted indolines via intramolecular trapping of ammonium ylides with ketones","Chem.Commun.","2014","50","","951","","10.1039/c3cc48067d","","","0.71073","MoKα","","0.055","0.046","","","0.1189","0.1283","","","","","","1.026","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110268","9.084","0.004","10.766","0.005","12.658","0.005","96.115","0.006","103.282","0.005","98.341","0.005","1179.4","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H24 Cl2 F10 Fe N14 O4 S2 -","- C42 H22 Cl2 F10 Fe N14 O4 S2 -","- C42 H22 Cl2 F10 Fe N14 O4 S2 -","1","0.5","","Nassim Nassirini; Saeid Amani; Simon J. Teat; Olivier Roubeau; Patrick Gamez","Enhancement of spin-crossover cooperativity mediated by lone pair-pi interactions and halogen bonding","Chem.Commun.","2014","50","","1003","","10.1039/c3cc48334g","","","0.7749","synchrotron","","0.0866","0.0662","","","0.17","0.182","","","","","","1.042","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110269","9.173","0.002","11.167","0.003","12.759","0.003","94.784","0.004","105.483","0.003","100.902","0.003","1224.4","0.5","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H24 Cl2 F10 Fe N14 O4 S2 -","- C42 H22 Cl2 F10 Fe N14 O4 S2 -","- C42 H22 Cl2 F10 Fe N14 O4 S2 -","1","0.5","","Nassim Nassirini; Saeid Amani; Simon J. Teat; Olivier Roubeau; Patrick Gamez","Enhancement of spin-crossover cooperativity mediated by lone pair-pi interactions and halogen bonding","Chem.Commun.","2014","50","","1003","","10.1039/c3cc48334g","","","0.7749","synchrotron","","0.0741","0.0547","","","0.1519","0.1619","","","","","","1.039","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110270","18.34","0.007","22.335","0.008","8.218","0.003","90","","90","","90","","3366","2","113","2","113","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C48 H40 -","- C48 H40 -","- C192 H160 -","4","0.5","","Friederike Sibbel; Katsuma Matsui; Yasutomo Segawa; Armido Studer; Kenichiro Itami","Selective synthesis of [7]- and [8]cycloparaphenylenes","Chem.Commun.","2014","50","","954","","10.1039/c3cc48683d","","","0.71075","MoKα","","0.0682","0.0648","","","0.1742","0.1772","","","","","","1.078","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110330","16.636","0.002","12.5912","0.0018","19.216","0.002","90","","90","","90","","4025.1","0.9","173","2","173","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C32 H72 Mn4 N8 -","- C32 H72 Mn4 N8 -","- C128 H288 Mn16 N32 -","4","0.5","","Shivaiah Vaddypally; Sandeep K. Kondaveeti; John H. Roudebush; Robert J. Cava; Michael J. Zdilla","Formation of the tetranuclear, tetrakis-terminal-imido Mn4IV(NtBu)8 cubane cluster by four-electron reductive elimination of tBuN[double bond, length as m-dash]NtBu. The role of the s-block ion in stabilization of high-oxidation state intermediates","Chem.Commun.","2014","50","","1061","","10.1039/c3cc42165a","","","0.71073","MoKα","","0.0406","0.0364","","","0.0876","0.0922","","","","","","1.113","","","","has coordinates,has disorder","180217","2020-10-21","18:00:00",""
"7110331","23.17","0.004","24.088","0.005","24.896","0.004","68.75","0.01","66.393","0.01","62.015","0.008","10979","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C264 H384 Cl8 Er48 N48 O240 -","- C264 H194 Cl8 Er48 N48 O240 -","- C264 H194 Cl8 Er48 N48 O240 -","1","0.5","","Mingyan Wu; Feilong Jiang; Daqiang Yuan; Jiandong Pang; Jinjie Qian; Shaeel A. AL-Thabaiti; Maochun Hong","Polymeric double-anion templated Er48 nanotubes","Chem.Commun.","2014","50","","1113","","10.1039/c3cc46779a","","","0.71073","MoKα","","0.0705","0.0534","","","0.1291","0.1376","","","","","","0.983","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110332","12.3653","0.0009","22.7961","0.0012","19.7772","0.0014","90","","98.854","0.007","90","","5508.4","0.6","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 -","- C38 H28 -","- C304 H224 -","8","2","","Zujin Zhao; Bairong He; Han Nie; Bin Chen; Ping Lu; Anjun Qin; Ben Zhong Tang","Stereoselective synthesis of folded luminogens with arene-arene stacking interactions and aggregation-enhanced emission","Chem.Commun.","2014","50","","1131","","10.1039/c3cc47696k","","","0.71073","MoKα","","0.1892","0.0669","","","0.1142","0.1601","","","","","","0.953","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110333","9.63","0.0005","9.2473","0.0005","33.2387","0.0017","90","","97.115","0.005","90","","2937.2","0.3","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 -","- C40 H32 -","- C160 H128 -","4","1","","Zujin Zhao; Bairong He; Han Nie; Bin Chen; Ping Lu; Anjun Qin; Ben Zhong Tang","Stereoselective synthesis of folded luminogens with arene-arene stacking interactions and aggregation-enhanced emission","Chem.Commun.","2014","50","","1131","","10.1039/c3cc47696k","","","0.71073","MoKα","","0.0951","0.0615","","","0.1354","0.1532","","","","","","1.079","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110334","9.3819","0.0003","9.2364","0.0005","34.2924","0.0015","90","","90.577","0.004","90","","2971.5","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 O2 -","- C40 H32 O2 -","- C160 H128 O8 -","4","1","","Zujin Zhao; Bairong He; Han Nie; Bin Chen; Ping Lu; Anjun Qin; Ben Zhong Tang","Stereoselective synthesis of folded luminogens with arene-arene stacking interactions and aggregation-enhanced emission","Chem.Commun.","2014","50","","1131","","10.1039/c3cc47696k","","","0.71073","MoKα","","0.0805","0.0495","","","0.1068","0.1278","","","","","","1.025","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110335","7.376","0.0005","16.8413","0.0009","8.6153","0.0005","90","","105.155","0.006","90","","1032.99","0.11","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 -","- C28 H24 -","- C56 H48 -","2","0.5","","Zujin Zhao; Bairong He; Han Nie; Bin Chen; Ping Lu; Anjun Qin; Ben Zhong Tang","Stereoselective synthesis of folded luminogens with arene-arene stacking interactions and aggregation-enhanced emission","Chem.Commun.","2014","50","","1131","","10.1039/c3cc47696k","","","0.71073","MoKα","","0.0993","0.0634","","","0.1718","0.1968","","","","","","1.056","","","","has coordinates,has disorder","180217","2020-10-21","18:00:00",""
"7110336","9.642","0.004","16.575","0.008","19.66","0.009","90","","90.784","0.006","90","","3142","2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 N3 O10 S Zn -","- C21 H12 N3 O10 S Zn -","- C84 H48 N12 O40 S4 Zn4 -","4","1","","Padmini Ramaswamy; Ryotaro Matsuda; Wataru Kosaka; George Akiyama; Hyung Joon Jeon; Susumu Kitagawa","Highly proton conductive nanoporous coordination polymers with sulfonic acid groups on the pore surface","Chem.Commun.","2014","50","","1144","","10.1039/c3cc47980c","","","0.71073","MoKα","","0.0955","0.0846","","","0.2229","0.2384","","","","","","1.054","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110337","13.818","0.003","9.5436","0.0019","15.309","0.003","90","","116.08","0.03","90","","1813.3","0.8","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Zincsulfoisophthalate","","","- C17 H11 N2 O9 S Zn -","- C17 H11 N2 O9 S Zn -","- C68 H44 N8 O36 S4 Zn4 -","4","1","","Padmini Ramaswamy; Ryotaro Matsuda; Wataru Kosaka; George Akiyama; Hyung Joon Jeon; Susumu Kitagawa","Highly proton conductive nanoporous coordination polymers with sulfonic acid groups on the pore surface","Chem.Commun.","2014","50","","1144","","10.1039/c3cc47980c","","","0.71073","MoKα","","0.075","0.0582","","","0.106","0.1136","","","","","","0.902","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110338","17.614","0.004","21.916","0.004","18.046","0.004","90","","105.64","0.03","90","","6708","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","zincsulfoisophthalate","","","- C10.25 H10 N1.25 O5.5 S0.75 Zn0.75 -","- C10.25 H10 N1.25 O5.5 S0.75 Zn0.75 -","- C164 H160 N20 O88 S12 Zn12 -","16","4","","Padmini Ramaswamy; Ryotaro Matsuda; Wataru Kosaka; George Akiyama; Hyung Joon Jeon; Susumu Kitagawa","Highly proton conductive nanoporous coordination polymers with sulfonic acid groups on the pore surface","Chem.Commun.","2014","50","","1144","","10.1039/c3cc47980c","","","0.71073","MoKα","","0.1136","0.0866","","","0.1865","0.203","","","","","","0.951","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110339","26.247","0.004","26.247","0.004","22.735","0.006","90","","90","","120","","13564","5","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","thiophene-bridged_molecular_gyroscope_with_3THF","","","- C64 H146 O6 S Si14 -","- C63.96 H145.98 O6 S0.99 Si14 -","- C383.76 H875.88 O36 S5.94 Si84 -","6","0.166667","","Wataru Setak; Soichiro Ohmizu; Mitsuo Kira","Kinetic stabilization against the oxidation reaction induced by a silaalkane cage in a thiophene-bridged molecular gyroscope","Chem.Commun.","2014","50","","1098","","10.1039/c3cc48205g","","","0.71073","MoKα","","0.1071","0.0603","","","0.1391","0.1666","","","","","","1.118","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110340","26.249","0.002","26.249","0.002","22.827","0.004","90","","90","","120","","13621","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","SO2-bridged_molecular_gyroscope_with_3THF","","","- C64 H146 O8 S Si14 -","- C63.96 H145.98 O7.98 S0.99 Si14 -","- C383.76 H875.88 O47.88 S5.94 Si84 -","6","0.166667","","Wataru Setak; Soichiro Ohmizu; Mitsuo Kira","Kinetic stabilization against the oxidation reaction induced by a silaalkane cage in a thiophene-bridged molecular gyroscope","Chem.Commun.","2014","50","","1098","","10.1039/c3cc48205g","","","0.71073","MoKα","","0.0633","0.0528","","","0.149","0.1594","","","","","","1.047","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110341","11.4929","0.0006","12.3565","0.0006","15.8187","0.0008","67.924","0.001","73.606","0.001","77.975","0.001","1983.86","0.17","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H25 Cu2 Fe3 N O9 P2 S -","- C36 H25 Cu2 Fe3 N O9 P2 S -","- C72 H50 Cu4 Fe6 N2 O18 P4 S2 -","2","1","","Chien-Nan Lin; Wei-Ting Jhu; Minghuey Shieh","Vapochemically and mechanochemically reversible polymerization/depolymerization of S-Fe-Cu carbonyl clusters","Chem.Commun.","2014","50","","1134","","10.1039/c3cc48303g","","","0.71073","MoKα","","0.0448","0.0337","","","0.0912","0.1182","","","","","","0.621","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110342","13.1357","0.0002","13.7196","0.0002","20.6528","0.0004","97.81","0.001","90.021","0.001","91.115","0.001","3686.74","0.11","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H24 Cu2 Fe3 O9 P2 S -","- C35 H24 Cu2 Fe3 O9 P2 S -","- C140 H96 Cu8 Fe12 O36 P8 S4 -","4","2","","Chien-Nan Lin; Wei-Ting Jhu; Minghuey Shieh","Vapochemically and mechanochemically reversible polymerization/depolymerization of S-Fe-Cu carbonyl clusters","Chem.Commun.","2014","50","","1134","","10.1039/c3cc48303g","","","0.71073","MoKα","","0.1129","0.0975","","","0.2603","0.2717","","","","","","1.15","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110343","35.4086","0.001","10.2025","0.0003","24.5709","0.0008","90","","107.17","0.002","90","","8480.8","0.5","200","2","200","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C78 H60 Cu4 Fe6 N4 O18 P4 S2 -","- C78 H60 Cu4 Fe6 N4 O18 P4 S2 -","- C312 H240 Cu16 Fe24 N16 O72 P16 S8 -","4","1","","Chien-Nan Lin; Wei-Ting Jhu; Minghuey Shieh","Vapochemically and mechanochemically reversible polymerization/depolymerization of S-Fe-Cu carbonyl clusters","Chem.Commun.","2014","50","","1134","","10.1039/c3cc48303g","","","0.71073","MoKα","","0.0319","0.029","","","0.0691","0.0716","","","","","","1.018","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110344","7.1416","0.0009","8.4969","0.0011","19.655","0.003","90","","99.473","0.002","90","","1176.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 B F2 N3 O -","- C13 H8 B F2 N3 O -","- C52 H32 B4 F8 N12 O4 -","4","1","","Hui Liu; Hua Lu; Jing Xu; Zhipeng Liu; Zhifang Li; John Mack; Zhen Shen","Boron-pyridyl-imino-isoindoline dyes: facile synthesis and photophysical properties","Chem.Commun.","2014","50","","1074","","10.1039/c3cc48316a","","","0.71073","MoKα","","0.0518","0.0373","","","0.103","0.111","","","","","","1.326","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110345","8.575","0.002","12.611","0.003","13.588","0.003","90","","106.164","0.004","90","","1411.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 B F2 N3 O -","- C17 H10 B F2 N3 O -","- C68 H40 B4 F8 N12 O4 -","4","1","","Hui Liu; Hua Lu; Jing Xu; Zhipeng Liu; Zhifang Li; John Mack; Zhen Shen","Boron-pyridyl-imino-isoindoline dyes: facile synthesis and photophysical properties","Chem.Commun.","2014","50","","1074","","10.1039/c3cc48316a","","","0.71073","MoKα","","0.0545","0.0397","","","0.1068","0.115","","","","","","1.256","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110346","15.707","0.0017","15.0371","0.0016","16.4939","0.0018","90","","112.855","0.002","90","","3589.8","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H13 B Cl F2 N3 O -","- C21.5 H13 B Cl F2 N3 O -","- C172 H104 B8 Cl8 F16 N24 O8 -","8","2","","Hui Liu; Hua Lu; Jing Xu; Zhipeng Liu; Zhifang Li; John Mack; Zhen Shen","Boron-pyridyl-imino-isoindoline dyes: facile synthesis and photophysical properties","Chem.Commun.","2014","50","","1074","","10.1039/c3cc48316a","","","0.71073","MoKα","","0.0535","0.042","","","0.1125","0.1221","","","","","","1.02","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7110347","8.9032","0.0003","9.6331","0.0003","15.0734","0.0005","98.01","0.002","95.934","0.002","109.836","0.002","1188.35","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28.5 H24 Co F4 P -","- C28.5 H24 Co F4 P -","- C57 H48 Co2 F8 P2 -","2","1","","Graham M. Lee; Daniel J. Harrison; Ilia Korobkov; R. Tom Baker","Stepwise addition of difluorocarbene to a transition metal centre","Chem.Commun.","2014","50","","1128","","10.1039/c3cc48468h","","","0.71073","MoKα","","0.0572","0.0503","","","0.1405","0.1474","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110348","11.9397","0.0004","10.3337","0.0003","18.4688","0.0006","90","","90.5376","0.0017","90","","2278.6","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Co F6 P -","- C26 H20 Co F6 P -","- C104 H80 Co4 F24 P4 -","4","1","","Graham M. Lee; Daniel J. Harrison; Ilia Korobkov; R. Tom Baker","Stepwise addition of difluorocarbene to a transition metal centre","Chem.Commun.","2014","50","","1128","","10.1039/c3cc48468h","","","0.71073","MoKα","","0.0784","0.0463","","","0.1317","0.1549","","","","","","1.026","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110349","13.0497","0.0005","16.2106","0.0006","9.5283","0.0003","90","","94.782","0.002","90","","2008.63","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Co F4 O3 P -","- C16 H26 Co F4 O3 P -","- C64 H104 Co4 F16 O12 P4 -","4","1","","Graham M. Lee; Daniel J. Harrison; Ilia Korobkov; R. Tom Baker","Stepwise addition of difluorocarbene to a transition metal centre","Chem.Commun.","2014","50","","1128","","10.1039/c3cc48468h","","","0.71073","MoKα","","0.0661","0.0372","","","0.0833","0.0948","","","","","","1.009","","","","has coordinates","180217","2020-10-21","18:00:00",""
"7110350","10.239","0.002","13.283","0.003","15.851","0.003","73.28","0.03","79.44","0.03","80.24","0.03","2014","0.8","100","2","","","","","","","","","","5","P 1","P 1","1","","","","- C72 H93 Cd2 N9 O21 -","- C72 H93 Cd2 N9 O21 -","- C72 H93 Cd2 N9 O21 -","1","1","","Boer, Stephanie A.; Hawes, Chris S.; Turner, David R.","Engineering entanglement: controlling the formation of polycatenanes and polyrotaxanes using π interactions","Chemical Communications (Cambridge, United Kingdom)","2014","50","9","1125","1127","10.1039/c3cc48802k","","","0.7108","Synchrotron","","0.0735","0.0575","","","0.1565","0.1732","","","","","","1.057","","","","has coordinates,has disorder","210842","2020-10-21","18:00:00",""
"7110351","45.995","0.009","15.366","0.003","32.009","0.006","90","","134.07","0.03","90","","16254","10","100","2","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C148 H176 Cd4 N20 O44 -","- C145 H161 Cd4 N19 O43 -","- C580 H644 Cd16 N76 O172 -","4","1","","Boer, Stephanie A.; Hawes, Chris S.; Turner, David R.","Engineering entanglement: controlling the formation of polycatenanes and polyrotaxanes using π interactions","Chemical Communications (Cambridge, United Kingdom)","2014","50","9","1125","1127","10.1039/c3cc48802k","","","0.71073","Synchrotron","","0.1075","0.092","","","0.2542","0.2704","","","","","","1.03","","","","has coordinates,has disorder","210842","2020-10-21","18:00:00",""
"7110352","19.928","0.003","19.928","0.003","78.862","0.016","90","","90","","120","","27122","8","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C81 H94 Cd2 N7 O23 -","- C72 H56 Cd2 N4 O20 -","- C864 H672 Cd24 N48 O240 -","12","1","","Boer, Stephanie A.; Hawes, Chris S.; Turner, David R.","Engineering entanglement: controlling the formation of polycatenanes and polyrotaxanes using π interactions","Chemical Communications (Cambridge, United Kingdom)","2014","50","9","1125","1127","10.1039/c3cc48802k","","","0.7108","Synchrotron","","0.0832","0.0765","","","0.2101","0.2175","","","","","","1.029","","","","has coordinates","210842","2020-10-21","18:00:00",""
"7111791","5.6003","0.0003","8.1769","0.0004","17.0907","0.0009","90","","94.409","0.003","90","","780.32","0.07","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C36 H36 O8 -","2","0.5","","Xiaodong Hou; Zhihan Wang; Joseph Lee; Erin Wysocki; Casey Oian; Jennifer Schlak; Qianli R. Chu","Synthesis of polymeric ladders by topochemical polymerization","Chem.Commun.","2014","50","","1218","","10.1039/c3cc47379a","","","0.71073","MoKα","","0.059","0.041","","","0.1019","0.1149","","","","","","1.016","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7111792","5.4869","0.0003","8.0395","0.0004","12.2631","0.0008","71.633","0.004","89.64","0.003","74.81","0.003","493.73","0.05","150","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H26 O4 -","- C22 H26 O4 -","- C22 H26 O4 -","1","0.5","","Xiaodong Hou; Zhihan Wang; Joseph Lee; Erin Wysocki; Casey Oian; Jennifer Schlak; Qianli R. Chu","Synthesis of polymeric ladders by topochemical polymerization","Chem.Commun.","2014","50","","1218","","10.1039/c3cc47379a","","","0.71073","MoKα","","0.0518","0.043","","","0.1258","0.1427","","","","","","1.073","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7111793","39.5","0.005","10.1407","0.0014","20.1901","0.0019","90","","113.254","0.004","90","","7430.3","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H5 F12 O0.1 -","- C68 H5 F12 O0.104 -","- C544 H40 F96 O0.832 -","8","1","","James B. Whitaker; Igor V. Kuvychko; Natalia B. Shustova; Yu-Sheng Chen; Steven H. Strauss; Olga V. Boltalina","An elusive fulvene 1,7,11,24-C60(CF3)4 and its unusual reactivity","Chem.Commun.","2014","50","","1205","","10.1039/c3cc47899h","","","0.4428","synchrotron","","0.0953","0.0618","","","0.1504","0.1693","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111794","10.421","0.004","10.421","0.003","12.704","0.003","90","","114.19","0.009","90","","1258.5","0.7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F5 N2 O3 -","- C13 H7 F5 N2 O3 -","- C52 H28 F20 N8 O12 -","4","1","","Ritesh Dubey; Gautam R. Desiraju","Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal","Chem.Commun.","2014","50","","1181","","10.1039/c3cc47955b","","","0.71075","MoKα","","0.0696","0.0485","","","0.1192","0.1315","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111795","10.1699","0.0007","10.3825","0.0007","12.3583","0.0009","90","","108.977","0.008","90","","1233.98","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N2 O3 -","- C13 H7 F4 N2 O3 -","- C52 H28 F16 N8 O12 -","4","1","","Ritesh Dubey; Gautam R. Desiraju","Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal","Chem.Commun.","2014","50","","1181","","10.1039/c3cc47955b","","","0.71073","MoKα","","0.0503","0.04","","","0.1003","0.1062","","","","","","1.072","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7111796","10.1728","0.0012","10.4501","0.0013","12.2561","0.0015","90","","109.116","0.008","90","","1231.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F3 N2 O3 -","- C13 H9 F3 N2 O3 -","- C52 H36 F12 N8 O12 -","4","1","","Ritesh Dubey; Gautam R. Desiraju","Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal","Chem.Commun.","2014","50","","1181","","10.1039/c3cc47955b","","","0.71073","MoKα","","0.0478","0.0393","","","0.0965","0.1011","","","","","","1.048","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7111797","10.4383","0.0009","10.2939","0.0009","12.3077","0.001","90","","110.475","0.008","90","","1238.93","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F3 N2 O3 -","- C13 H9 F3 N2 O3 -","- C52 H36 F12 N8 O12 -","4","1","","Ritesh Dubey; Gautam R. Desiraju","Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal","Chem.Commun.","2014","50","","1181","","10.1039/c3cc47955b","","","0.71073","MoKα","","0.0587","0.0424","","","0.0993","0.1066","","","","","","1.045","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7111798","7.2331","0.0014","7.7199","0.0015","12.597","0.002","73.687","0.005","84.34","0.006","66.993","0.005","621.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F3 N2 O3 -","- C13 H9 F3 N2 O3 -","- C26 H18 F6 N4 O6 -","2","1","","Ritesh Dubey; Gautam R. Desiraju","Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal","Chem.Commun.","2014","50","","1181","","10.1039/c3cc47955b","","","0.71073","MoKα","","0.0646","0.0474","","","0.1133","0.1216","","","","","","1.037","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7111799","3.8198","0.0006","7.5011","0.0009","21.814","0.003","98.435","0.008","93.169","0.008","97.474","0.007","611.25","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F3 N2 O3 -","- C13 H9 F3 N2 O3 -","- C26 H18 F6 N4 O6 -","2","1","","Ritesh Dubey; Gautam R. Desiraju","Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal","Chem.Commun.","2014","50","","1181","","10.1039/c3cc47955b","","","0.71073","MoKα","","0.0808","0.0487","","","0.1151","0.1288","","","","","","0.963","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7111800","7.0231","0.0008","7.4789","0.0009","12.6456","0.0015","74.419","0.005","87.775","0.006","70.545","0.005","602.33","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F2 N2 O3 -","- C13 H9 F2 N2 O3 -","- C26 H18 F4 N4 O6 -","2","1","","Ritesh Dubey; Gautam R. Desiraju","Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal","Chem.Commun.","2014","50","","1181","","10.1039/c3cc47955b","","","0.71073","MoKα","","0.0525","0.0439","","","0.1112","0.117","","","","","","1.049","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111801","8.3252","0.0006","12.1896","0.0009","13.477","0.001","107.408","0.008","102.834","0.007","94.816","0.007","1255.68","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 F2 N2 O3 -","- C13 H8 F2 N2 O3 -","- C52 H32 F8 N8 O12 -","4","2","","Ritesh Dubey; Gautam R. Desiraju","Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal","Chem.Commun.","2014","50","","1181","","10.1039/c3cc47955b","","","0.71073","MoKα","","0.0782","0.0532","","","0.1401","0.1566","","","","","","1.049","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111802","7.2755","0.0007","7.6883","0.0008","12.595","0.0013","73.583","0.005","84.326","0.006","66.372","0.005","619.06","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 F2 N2 O3 -","- C13 H10 F2 N2 O3 -","- C26 H20 F4 N4 O6 -","2","1","","Ritesh Dubey; Gautam R. Desiraju","Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal","Chem.Commun.","2014","50","","1181","","10.1039/c3cc47955b","","","0.71073","MoKα","","0.0406","0.0356","","","0.0983","0.1061","","","","","","1.074","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111803","6.8789","0.0012","7.2488","0.0013","13.638","0.003","89.962","0.006","81.279","0.007","66.888","0.008","616.9","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F3 N2 O3 -","- C13 H9 F3 N2 O3 -","- C26 H18 F6 N4 O6 -","2","1","","Ritesh Dubey; Gautam R. Desiraju","Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal","Chem.Commun.","2014","50","","1181","","10.1039/c3cc47955b","","","0.71075","MoKα","","0.073","0.0488","","","0.1155","0.1294","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111804","7.7191","0.0014","10.869","0.002","15.312","0.003","73.545","0.005","86.948","0.006","85.853","0.006","1228.1","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F3 N2 O3 -","- C13 H9 F3 N2 O3 -","- C52 H36 F12 N8 O12 -","4","2","","Ritesh Dubey; Gautam R. Desiraju","Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal","Chem.Commun.","2014","50","","1181","","10.1039/c3cc47955b","","","0.71073","MoKα","","0.1783","0.072","","","0.159","0.1993","","","","","","0.985","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111805","22.92","0.004","5.2259","0.0008","20.566","0.003","90","","97.914","0.012","90","","2439.9","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 F2 N2 O3 -","- C13 H9 F2 N2 O3 -","- C104 H72 F16 N16 O24 -","8","1","","Ritesh Dubey; Gautam R. Desiraju","Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal","Chem.Commun.","2014","50","","1181","","10.1039/c3cc47955b","","","0.71073","MoKα","","0.0714","0.0533","","","0.1197","0.1291","","","","","","1.026","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111806","3.7357","0.0005","15.625","0.002","10.926","0.0014","90","","93.614","0.007","90","","636.49","0.14","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H12 F2 N2 O4 -","- C13 H12 F2 N2 O4 -","- C26 H24 F4 N4 O8 -","2","1","","Ritesh Dubey; Gautam R. Desiraju","Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal","Chem.Commun.","2014","50","","1181","","10.1039/c3cc47955b","","","0.71073","MoKα","","0.0334","0.0307","","","0.074","0.0752","","","","","","1.083","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111807","6.57","0.01","7.68","0.011","13.084","0.018","92.357","0.015","90.759","0.009","109.87","0.03","620.1","1.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 F2 N2 O3 -","- C13 H10 F2 N2 O3 -","- C26 H20 F4 N4 O6 -","2","1","","Ritesh Dubey; Gautam R. Desiraju","Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal","Chem.Commun.","2014","50","","1181","","10.1039/c3cc47955b","","","0.71075","MoKα","","0.0498","0.044","","","0.1296","0.1353","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111808","31.44","0.02","8.72","0.005","22.886","0.012","90","","117.22","0.04","90","","5580","6","120","","120.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H39 N2 O9 S1.5 -","- C27 H39 N2 O9 S1.5 -","- C216 H312 N16 O72 S12 -","8","1","","Jennie A. Hickin; Afshan Ahmed; Katharina Fuck; Margaret Ashcroft; Keith Jones","The synthesis and structure revision of NSC-134754","Chem.Commun.","2014","50","","1238","","10.1039/c3cc48189a","","x-ray","0.71073","MoKα","K-L~3~","0.1256","0.0775","","","","0.2142","","","","","","0.9214","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111809","8.1957","0.0009","8.7315","0.0009","12.9688","0.0014","96.755","0.002","99.39","0.002","92.439","0.002","907.46","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl N2 O2 -","- C20 H22 Cl N2 O2 -","- C40 H44 Cl2 N4 O4 -","2","1","","Alex Lauber; Benjamin Zelenay; Jan Cvengros","Asymmetric synthesis of N-stereogenic molecules: diastereoselective double aza-Michael reaction","Chem.Commun.","2014","50","","1195","","10.1039/c3cc48486f","","","0.71073","MoKα","","0.0849","0.0454","","","0.0975","0.1113","","","","","","0.907","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111810","12.812","0.003","15.463","0.004","14.313","0.003","90","","112.843","0.012","90","","2613.2","1.1","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H68 N4 Se2 Zn2 -","- C58 H68 N4 Se2 Zn2 -","- C116 H136 N8 Se4 Zn4 -","2","0.5","","S. Gondzik; S. Schulz; D. Blaser; C. Wolper","Reaction of L2Zn2 with Ph2E2 ‒ synthesis of LZnEPh and reactions with oxygen and H-acidic substrates","Chem.Commun.","2014","50","","1189","","10.1039/c3cc48677j","","","0.71073","MoKα","","0.0615","0.0348","","","0.0827","0.0944","","","","","","1.028","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7111811","10.6645","0.0007","11.1272","0.0007","11.991","0.0008","72.859","0.002","73.051","0.002","61.825","0.002","1178.84","0.14","170","1","170","1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H68 N4 O2 Zn2 -","- C50 H68 N4 O2 Zn2 -","- C50 H68 N4 O2 Zn2 -","1","0.5","","S. Gondzik; S. Schulz; D. Blaser; C. Wolper","Reaction of L2Zn2 with Ph2E2 ‒ synthesis of LZnEPh and reactions with oxygen and H-acidic substrates","Chem.Commun.","2014","50","","1189","","10.1039/c3cc48677j","","","0.71073","MoKα","","0.0407","0.0351","","","0.0985","0.1044","","","","","","1.05","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111812","12.3389","0.0003","15.5903","0.0004","17.848","0.0005","90","","107.579","0.001","90","","3273.04","0.15","180","1","180","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H78 F2 N4 O4 Te2 Zn2 -","- C70 H78 F2 N4 O4 Te2 Zn2 -","- C140 H156 F4 N8 O8 Te4 Zn4 -","2","0.5","","S. Gondzik; S. Schulz; D. Blaser; C. Wolper","Reaction of L2Zn2 with Ph2E2 ‒ synthesis of LZnEPh and reactions with oxygen and H-acidic substrates","Chem.Commun.","2014","50","","1189","","10.1039/c3cc48677j","","","0.71073","MoKα","","0.0352","0.026","","","0.0659","0.0719","","","","","","1.051","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111813","14.6651","0.0015","25.318","0.003","46.706","0.005","90","","90","","90","","17342","3","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C66 H58 Cl6 F18 N12 -","- C66 H58 Cl6 F18 N12 -","- C528 H464 Cl48 F144 N96 -","8","0.25","","Joao M. M. Rodrigues; Andreia S. F. Farinha; Paulino V. Muteto; Sandra M. Woranovicz-Barreira; Filipe A. Almeida Paz; Maria G. P. M. S. Neves; Jose A. S. Cavaleiro; Augusto C. Tome; M. Teresa S. R. Gomes; Jonathan L. Sessler; Joao P. C. Tome","New porphyrin derivatives for phosphate anion sensing in both organic and aqueous media","Chem.Commun.","2014","50","","1359","","10.1039/c3cc47504b","","","0.71073","MoKα","","0.1629","0.0887","","","0.2558","0.2886","","","","","","1.04","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111814","40.0942","0.0014","14.3501","0.0012","20.0274","0.0015","90","","107.931","0.003","90","","10963.2","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C216 H274 Cl8 N8 O45 -","- C216 H274 Cl8 N8 O45 -","- C432 H548 Cl16 N16 O90 -","2","0.25","","Mengfei Ni; Xiao-Yu Hu; Juli Jiang; Leyong Wang","The self-complexation of mono-urea-functionalized pillar[5]arenes with abnormal urea behaviors","Chem.Commun.","2014","50","","1317","","10.1039/c3cc47823h","","","0.71073","MoKα","","0.0722","0.0444","","","0.1062","0.1082","","","","","","1.014","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111815","17.727","0.0004","20.2092","0.0005","22.915","0.0006","90","","107.271","0.003","90","","7839.1","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C168 H214 N26 O20 -","- C168 H212 N26 O20 -","- C336 H424 N52 O40 -","2","0.5","","Vaclav Havel; Vladimir Sindelar; Marek Necas; Angel E. Kaifer","Water-mediated inclusion of benzoates and tosylates inside the bambusuril macrocycle","Chem.Commun.","2014","50","","1372","","10.1039/c3cc47828a","","","0.71073","MoKα","","0.0933","0.0433","","","0.0955","0.1022","","","","","","0.806","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111816","21.105","0.002","19.2496","0.0019","25.274","0.003","90","","93.277","0.005","90","","10251.1","1.9","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C170 H206 Cl30 N26 O19 S2 -","- C170.002 H204.002 Cl30.006 N26 O19 S2 -","- C340.004 H408.004 Cl60.012 N52 O38 S4 -","2","0.5","","Vaclav Havel; Vladimir Sindelar; Marek Necas; Angel E. Kaifer","Water-mediated inclusion of benzoates and tosylates inside the bambusuril macrocycle","Chem.Commun.","2014","50","","1372","","10.1039/c3cc47828a","","","0.71075","MoKα","","0.1143","0.1106","","","0.3198","0.3236","","","","","","1.126","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111817","26.739","0.003","47.581","0.003","26.66","0.003","90","","90","","90","","33919","6","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C299 H277 B4 N17 O17 P8 Pt4 S4 -","- C149.5 H136 B2 N8.5 O8.5 P4 Pt2 S2 -","- C1196 H1088 B16 N68 O68 P32 Pt16 S16 -","8","1","","Nikolaos Karakostas; Irene M. Mavridis; Kostas Seintis; Mihalis Fakis; Eftychia N. Koini; Ioannis D. Petsalakis; George Pistolis","Highly efficient and unidirectional energy transfer within a tightly self-assembled host-guest multichromophoric array","Chem.Commun.","2014","50","","1362","","10.1039/c3cc48076c","","","1","synchrotron","","0.1335","0.1285","","","0.4147","0.4193","","","","","","1.955","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111818","19.5327","0.0003","10.9126","0.0001","39.6368","0.0008","90","","90","","90","","8448.7","0.2","293","2","293","2","","","","","","","synthesis as described","7","P n a 21","P 2c -2n","33","","","","- C41 H34 F6 Fe N9 O6.5 S2 -","- C41 H34 F6 Fe N9 O6.5 S2 -","- C328 H272 F48 Fe8 N72 O52 S16 -","8","2","","Jozsef S. Pap; Apparao Draksharapu; Michel Giorgi; Wesley R. Browne; Jozsef Kaizer; Gabor Speier","Stabilisation of mu-peroxido-bridged Fe(III) intermediates with non-symmetric bidentate N-donor ligands","Chem.Commun.","2014","50","","1326","","10.1039/c3cc48196d","","x-ray","0.71073","MoKα","","0.1967","0.0695","","","0.151","0.1928","","","","","","0.939","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111819","33.061","0.001","13.4974","0.0006","19.732","0.001","90","","95.911","0.004","90","","8758.3","0.7","225","2","225","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H24 F9 Fe1.5 N6 O12 S3 -","- C39 H24 F9 Fe1.5 N6 O12 S3 -","- C312 H192 F72 Fe12 N48 O96 S24 -","8","1","","Jozsef S. Pap; Apparao Draksharapu; Michel Giorgi; Wesley R. Browne; Jozsef Kaizer; Gabor Speier","Stabilisation of mu-peroxido-bridged Fe(III) intermediates with non-symmetric bidentate N-donor ligands","Chem.Commun.","2014","50","","1326","","10.1039/c3cc48196d","","x-ray","0.71073","MoKα","","0.0999","0.0626","","","0.1766","0.2074","","","","","","1.123","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111820","10.9347","0.0003","19.6886","0.0005","22.396","0.0006","110.01","0.001","96.481","0.001","104.184","0.001","4288.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90.21 H73.84 Cl4 Fe2 N15.97 O19.33 -","- C90.211 H73.838 Cl4 Fe2 N15.965 O19.331 -","- C180.422 H147.676 Cl8 Fe4 N31.93 O38.662 -","2","1","","Michael C. Young; Amber M. Johnson; Richard J. Hooley","Self-promoted post-synthetic modification of metal-ligand M2L3 mesocates","Chem.Commun.","2014","50","","1378","","10.1039/c3cc48444k","","","0.71073","MoKα","","0.0465","0.0366","","","0.0918","0.0976","","","","","","1.021","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111821","20.7761","0.0016","40.516","0.003","41.967","0.003","90","","90","","90","","35326","5","100","2","100","2","","","","","","","","6","A b m 2","A 2 -2b","39","","","","- C162 H132 Cl7 Fe4 N24 O34 -","- C162 H132 Cl7 Fe4 N24 O34 -","- C1296 H1056 Cl56 Fe32 N192 O272 -","8","","","Michael C. Young; Amber M. Johnson; Richard J. Hooley","Self-promoted post-synthetic modification of metal-ligand M2L3 mesocates","Chem.Commun.","2014","50","","1378","","10.1039/c3cc48444k","","","0.71073","MoKα","","0.0777","0.0579","","","0.1338","0.1427","","","","","","1.001","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111822","50.553","0.0009","12.8629","0.0002","28.1196","0.0004","90","","112.216","0.002","90","","16927.6","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H110 Cl6 N8 O8 S -","- C86 H110 Cl6 N8 O8 S -","- C688 H880 Cl48 N64 O64 S8 -","8","1","","Krzysztof M. Bak; Michal J. Chmielewski","Sulfate templated assembly of neutral receptors in aqueous DMSO ‒ orthogonal versus biplane structures","Chem.Commun.","2014","50","","1305","","10.1039/c3cc48463g","","","0.71073","MoKα","","0.0713","0.0505","","","0.1201","0.132","","","","","","1.036","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111823","26.289","0.002","14.5923","0.0006","24.1216","0.0013","90","","114.437","0.007","90","","8424.5","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H130 Cl4 N8 O8 S -","- C80 H130 Cl4 N8 O8 S -","- C320 H520 Cl16 N32 O32 S4 -","4","0.5","","Krzysztof M. Bak; Michal J. Chmielewski","Sulfate templated assembly of neutral receptors in aqueous DMSO ‒ orthogonal versus biplane structures","Chem.Commun.","2014","50","","1305","","10.1039/c3cc48463g","","","0.71073","MoKα","","0.0914","0.0485","","","0.1072","0.1287","","","","","","1.024","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111824","10.6105","0.0002","13.0106","0.0002","20.7461","0.0004","90","","90","","90","","2863.98","0.09","150","2","150","2","","","","","","","synthesis","6","P 2 21 21","P 2bc 2","18","","","","- C58 H82 I2 N4 O Pt -","- C58 H82 I2 N4 O Pt -","- C116 H164 I4 N8 O2 Pt2 -","2","0.5","","Orestes Rivada-Wheelaghan; Manuel A. Ortuno; Sergio E. Garcia-Garrido; Josefina Diez; Pablo J. Alonso; Agusti Lledos; Salvador Conejero","A stable, mononuclear, cationic Pt(III) complex stabilised by bulky N-heterocyclic carbenes","Chem.Commun.","2014","50","","1299","","10.1039/c3cc48553f","","","1.5418","CuKα","","0.0645","0.0537","","","0.1366","0.1516","","","","","","1.026","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111825","19.6292","0.0002","21.8184","0.0002","20.7055","0.0002","90","","94.328","0.001","90","","8842.42","0.15","100","2","100","2","","","","","","","synthesis","7","P 1 2/n 1","-P 2yac","13","","","","- C86 H84 B F24 I2 N4 Pt -","- C86 H84 B F24 I2 N4 Pt -","- C344 H336 B4 F96 I8 N16 Pt4 -","4","1","","Orestes Rivada-Wheelaghan; Manuel A. Ortuno; Sergio E. Garcia-Garrido; Josefina Diez; Pablo J. Alonso; Agusti Lledos; Salvador Conejero","A stable, mononuclear, cationic Pt(III) complex stabilised by bulky N-heterocyclic carbenes","Chem.Commun.","2014","50","","1299","","10.1039/c3cc48553f","","","1.5418","CuKα","","0.0542","0.0452","","","0.1212","0.1311","","","","","","1.029","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111826","11.04","0.0004","8.872","0.0003","23.965","0.0009","90","","101.614","0.001","90","","2299.24","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Perfluoroarylbenzoborole","4,5,6,7-tetrafluoro-1,2,3-tris(pentafluorophenyl)-1-boraindene","","- C26 B F19 -","- C26 B F19 -","- C104 B4 F76 -","4","1","","Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen","Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene","Chem.Commun.","2014","50","","1295","","10.1039/c3cc48796b","","","0.71073","MoKα","","0.0876","0.0653","","","0.1727","0.2005","","","","","","1.164","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111827","13.7831","0.0003","13.7152","0.0003","20.0961","0.0005","90","","90","","90","","3798.93","0.15","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","bis(2,3,4,5-tetrafluorophenyl) zirconocene","","- C22 H12 F8 Zr -","- C22 H12 F8 Zr -","- C176 H96 F64 Zr8 -","8","1","","Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen","Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene","Chem.Commun.","2014","50","","1295","","10.1039/c3cc48796b","","","0.71073","MoKα","","0.0909","0.0593","","","0.1226","0.1449","","","","","","1.232","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111828","8.4551","0.0003","16.9172","0.0005","17.7991","0.0004","90","","94.924","0.002","90","","2536.53","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H10 F14 Zr -","- C30 H10 F14 Zr -","- C120 H40 F56 Zr4 -","4","1","","Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen","Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene","Chem.Commun.","2014","50","","1295","","10.1039/c3cc48796b","","","0.71073","MoKα","","0.0799","0.0532","","","0.0939","0.1057","","","","","","1.134","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111829","7.8081","0.0004","14.4792","0.0009","9.4551","0.0005","90","","90.521","0.003","90","","1068.9","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H6 F14 Sn -","- C22 H6 F14 Sn -","- C44 H12 F28 Sn2 -","2","1","","Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen","Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene","Chem.Commun.","2014","50","","1295","","10.1039/c3cc48796b","","","0.71073","MoKα","","0.0242","0.0236","","","0.0596","0.0604","","","","","","1.063","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111830","9.0742","0.0003","10.2272","0.0004","10.9121","0.0003","71.095","0.002","79.247","0.002","84.755","0.002","940.71","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-bora-1-bromo-4,5,6,7-tetrafluoro-2,3-bis(pentafluorophenyl)indene","","- C20 B Br F14 -","- C20 B Br F14 -","- C40 B2 Br2 F28 -","2","1","","Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen","Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene","Chem.Commun.","2014","50","","1295","","10.1039/c3cc48796b","","","0.71073","MoKα","","0.042","0.0351","","","0.0821","0.0885","","","","","","1.081","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111831","11.2301","0.0003","17.6492","0.0004","15.5641","0.0005","90","","126.554","0.002","90","","2478.04","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H B Cl F19 -","- C26 H B Cl F19 -","- C104 H4 B4 Cl4 F76 -","4","1","","Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen","Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene","Chem.Commun.","2014","50","","1295","","10.1039/c3cc48796b","","","0.71073","MoKα","","0.1271","0.079","","","0.1048","0.1187","","","","","","1.176","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111832","10.4376","0.0018","8.2222","0.0014","20.993","0.004","90","","94.658","0.002","90","","1795.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C72 H88 N16 O8 -","4","1","","Xiaomei Huang; Shuguang Xu; Qitao Tan; Mingchun Gao; Minjie Li; Bin Xu","A copper-mediated tandem reaction through isocyanide insertion into N-H bonds: efficient access to unsymmetrical tetrasubstituted ureas","Chem.Commun.","2014","50","","1465","","10.1039/c3cc47590e","","","0.71073","MoKα","","0.0764","0.0528","","","0.1519","0.17","","","","","","1.046","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111833","15.245","0.005","8.417","0.005","16.508","0.005","90","0.005","104.637","0.005","90","0.005","2049.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl2 N4 O2 -","- C21 H18 Cl2 N4 O2 -","- C84 H72 Cl8 N16 O8 -","4","1","","Xiaomei Huang; Shuguang Xu; Qitao Tan; Mingchun Gao; Minjie Li; Bin Xu","A copper-mediated tandem reaction through isocyanide insertion into N-H bonds: efficient access to unsymmetrical tetrasubstituted ureas","Chem.Commun.","2014","50","","1465","","10.1039/c3cc47590e","","","0.71073","MoKα","","0.0591","0.0421","","","0.1154","0.1278","","","","","","1.042","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111834","10.47","0.02","13.29","0.03","14.71","0.03","90","","105.91","0.03","90","","1968","7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N4 O2 -","- C19 H22 N4 O2 -","- C76 H88 N16 O8 -","4","1","","Xiaomei Huang; Shuguang Xu; Qitao Tan; Mingchun Gao; Minjie Li; Bin Xu","A copper-mediated tandem reaction through isocyanide insertion into N-H bonds: efficient access to unsymmetrical tetrasubstituted ureas","Chem.Commun.","2014","50","","1465","","10.1039/c3cc47590e","","","0.71073","MoKα","","0.2259","0.1526","","","0.3146","0.404","","","","","","1.223","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111835","26.268","0.005","10.6462","0.0018","18.295","0.003","90","","111.641","0.003","90","","4755.6","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H20 Cu I N4.5 O1.25 -","- C24.5 H20 Cu I N4.5 O1.25 -","- C196 H160 Cu8 I8 N36 O10 -","8","1","","Yang Yu; Xiao-Meng Zhang; Jian-Ping Ma; Qi-Kui Liu; Peng Wang; Yu-Bin Dong","Cu(I)-MOF: naked-eye colorimetric sensor for humidity and formaldehyde in single-crystal-to-single-crystal fashion","Chem.Commun.","2014","50","","1444","","10.1039/c3cc47723a","","","0.71073","MoKα","","0.1031","0.0623","","","0.1346","0.151","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111836","26.195","0.007","10.604","0.003","18.493","0.005","90","","112.035","0.003","90","","4762","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 Cu2 I2 N8 O4 -","- C46 H40 Cu2 I2 N8 O4 -","- C184 H160 Cu8 I8 N32 O16 -","4","0.5","","Yang Yu; Xiao-Meng Zhang; Jian-Ping Ma; Qi-Kui Liu; Peng Wang; Yu-Bin Dong","Cu(I)-MOF: naked-eye colorimetric sensor for humidity and formaldehyde in single-crystal-to-single-crystal fashion","Chem.Commun.","2014","50","","1444","","10.1039/c3cc47723a","","","0.71073","MoKα","","0.0917","0.0598","","","0.1648","0.1863","","","","","","1.048","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111837","26.407","0.013","10.549","0.005","18.435","0.009","90","","111.635","0.007","90","","4774","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H38 Cu2 I2 N8 O3 -","- C48 H38 Cu2 I2 N8 O3 -","- C192 H152 Cu8 I8 N32 O12 -","4","0.5","","Yang Yu; Xiao-Meng Zhang; Jian-Ping Ma; Qi-Kui Liu; Peng Wang; Yu-Bin Dong","Cu(I)-MOF: naked-eye colorimetric sensor for humidity and formaldehyde in single-crystal-to-single-crystal fashion","Chem.Commun.","2014","50","","1444","","10.1039/c3cc47723a","","","0.71073","MoKα","","0.091","0.052","","","0.1266","0.1389","","","","","","0.951","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111838","16.1902","0.0006","15.4925","0.0005","22.7717","0.0008","90","","90","","90","","5711.7","0.3","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H31 F6 Fe N5 O8 S2 -","- C19 H31 F6 Fe N5 O8 S2 -","- C152 H248 F48 Fe8 N40 O64 S16 -","8","1","","Mainak Mitra; Julio Lloret-Fillol; Matti Haukka; Miquel Costas; Ebbe Nordlander","Evidence that steric factors modulate reactivity of tautomeric iron-oxo species in stereospecific alkane C-H hydroxylation","Chem.Commun.","2014","50","","1408","","10.1039/c3cc47830k","","","1.54184","CuKα","","0.0604","0.0447","","","0.1078","0.1178","","","","","","1.021","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111839","9.7786","0.0015","15.903","0.003","17.253","0.003","90","","90","","90","","2683","0.8","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 F6 Fe N5 O6 S2 -","- C19 H27 F6 Fe N5 O6 S2 -","- C76 H108 F24 Fe4 N20 O24 S8 -","4","1","","Mainak Mitra; Julio Lloret-Fillol; Matti Haukka; Miquel Costas; Ebbe Nordlander","Evidence that steric factors modulate reactivity of tautomeric iron-oxo species in stereospecific alkane C-H hydroxylation","Chem.Commun.","2014","50","","1408","","10.1039/c3cc47830k","","","0.71073","MoKα","","0.2014","0.113","","","0.1598","0.1883","","","","","","1.164","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111840","19.061","0.004","12.717","0.003","15.548","0.003","90","","95.24","0.03","90","","3753.1","1.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetraCadmium(II) heptakis-7,7,8,8-tetracyanoquinodimethane tetraaqua","","","- C42 H18 Cd2 N14 O2 -","- C42 H18 Cd2 N14 O2 -","- C168 H72 Cd8 N56 O8 -","4","1","","Xuan Zhang; Zhongyue Zhang; Hanhua Zhao; Jiang-Gao Mao; Kim R. Dunbar","A cadmium TCNQ-based semiconductor with versatile binding modes and non-integer redox states","Chem.Commun.","2014","50","","1429","","10.1039/c3cc48330d","","","0.71073","MoKα","","0.0289","0.0206","","","0.048","0.0523","","","","","","1.02","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111841","12.329","0.007","12.877","0.007","14.883","0.006","90","","91.625","0.018","90","","2362","2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","mer-[Cd(k-O,N,N-3.11a)2]","","- C42 H48 Cd N10 O8 -","- C42 H48 Cd N10 O8 -","- C84 H96 Cd2 N20 O16 -","2","1","","Gareth O. Lloyd; Jonathan W. Steed","Supramolecular assembly in a Janus-type urea system","Chem.Commun.","2014","50","","1426","","10.1039/c3cc48603f","","","0.71073","MoKα","","0.1096","0.0712","","","0.1631","0.1877","","","","","","1.038","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111842","31.7325","0.0008","31.7325","0.0008","13.6585","0.0007","90","","90","","120","","11910.8","0.7","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C144 H186 Cu6 N30 O36 -","- C144 H186 Cu6 N30 O36 -","- C432 H558 Cu18 N90 O108 -","3","0.166667","","Gareth O. Lloyd; Jonathan W. Steed","Supramolecular assembly in a Janus-type urea system","Chem.Commun.","2014","50","","1426","","10.1039/c3cc48603f","","","0.71073","MoKα","","0.1489","0.053","","","0.114","0.1434","","","","","","0.811","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111843","5.8615","0.0002","11.0671","0.0004","14.0882","0.0005","91.125","0.001","98.705","0.001","97.008","0.001","895.95","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N5 O2 -","- C20 H21 N5 O2 -","- C40 H42 N10 O4 -","2","1","","Gareth O. Lloyd; Jonathan W. Steed","Supramolecular assembly in a Janus-type urea system","Chem.Commun.","2014","50","","1426","","10.1039/c3cc48603f","","","0.71073","MoKα","","0.0777","0.0511","","","0.1364","0.1549","","","","","","1.026","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111844","4.594","0.004","7.122","0.006","28.06","0.03","93.46","0.02","92.554","0.015","104.922","0.015","883.8","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N5 O2 -","- C20 H21 N5 O2 -","- C40 H42 N10 O4 -","2","1","","Gareth O. Lloyd; Jonathan W. Steed","Supramolecular assembly in a Janus-type urea system","Chem.Commun.","2014","50","","1426","","10.1039/c3cc48603f","","","0.71073","MoKα","","0.1001","0.0698","","","0.214","0.2483","","","","","","1.071","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111845","20.7198","0.0008","23.4541","0.0009","26.0799","0.0015","105.194","0.004","93.035","0.004","103.129","0.003","11825.6","1","150.1","0.8","150.1","0.8","","","","","","","","7","P -1","-P 1","2","","","","- C159 H291 Co3 Dy10 N3 O72 P6 -","- C159 H291 Co3 Dy10 N3 O72 P6 -","- C318 H582 Co6 Dy20 N6 O144 P12 -","2","1","","Karzan H. Zangana; Eufemio Moreno Pineda; Eric J. L. McInnes; Jurgen Schnack; Richard E. P. Winpenny","Centred nine-metal rings of lanthanides","Chem.Commun.","2014","50","","1438","","10.1039/c3cc48708c","","","0.7107","MoKα","","0.1802","0.0903","","","0.1942","0.257","","","","","","1.05","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111846","9.6666","0.0004","23.4121","0.0009","8.0696","0.0003","90","","102.673","0.003","90","","1781.78","0.12","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 B2 Cl N2 O P2 Rh -","- C37 H46 B2 Cl N2 O P2 Rh -","- C74 H92 B4 Cl2 N4 O2 P4 Rh2 -","2","0.5","","Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle","A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands","Chem.Commun.","2014","50","","1432","","10.1039/c3cc49000a","","","0.71073","MoKα","","0.0892","0.0424","","","0.0792","0.0927","","","","","","1.022","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111847","11.4921","0.0015","24.764","0.004","12.7559","0.0017","90","","90.621","0.005","90","","3630","0.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H46 B2 Cl N2 O P2 Rh -","- C41 H46 B2 Cl N2 O P2 Rh -","- C164 H184 B8 Cl4 N8 O4 P8 Rh4 -","4","1","","Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle","A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands","Chem.Commun.","2014","50","","1432","","10.1039/c3cc49000a","","","1.54178","CuKα","","0.0278","0.0257","","","0.0657","0.0669","","","","","","1.022","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111848","9.73","0.0003","23.1553","0.0008","8.03","0.0003","90","","103.596","0.002","90","","1758.47","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 Cl O P2 Rh -","- C41 H46 Cl O P2 Rh -","- C82 H92 Cl2 O2 P4 Rh2 -","2","0.5","","Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle","A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands","Chem.Commun.","2014","50","","1432","","10.1039/c3cc49000a","","","0.71073","MoKα","","0.0613","0.0361","","","0.0902","0.1063","","","","","","1.116","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111849","8.5503","0.0005","11.5693","0.0007","11.8543","0.0007","69.3","0.003","84.914","0.003","72.868","0.003","1048.11","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H50 Cl5 O P2 Rh -","- C47 H50 Cl5 O P2 Rh -","- C47 H50 Cl5 O P2 Rh -","1","0.5","","Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle","A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands","Chem.Commun.","2014","50","","1432","","10.1039/c3cc49000a","","","0.71073","MoKα","","0.0172","0.0169","","","0.045","0.0452","","","","","","1.069","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111850","7.1656","0.0003","17.6207","0.0007","26.1711","0.0009","90","","90","","90","","3304.4","0.2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H23 P -","- C20 H23 P -","- C160 H184 P8 -","8","1","","Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle","A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands","Chem.Commun.","2014","50","","1432","","10.1039/c3cc49000a","","","0.71073","MoKα","","0.0672","0.0436","","","0.1128","0.1344","","","","","","1.012","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111851","21.2169","0.001","7.8833","0.0004","20.2375","0.001","90","","100.874","0.003","90","","3324.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 O0.55 P -","- C22 H23 O0.551 P -","- C176 H184 O4.408 P8 -","8","1","","Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle","A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands","Chem.Commun.","2014","50","","1432","","10.1039/c3cc49000a","","","0.71073","MoKα","","0.0386","0.0345","","","0.0897","0.0922","","","","","","1.068","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111852","6.581","0.002","9.426","0.003","19.551","0.007","90","","90.105","0.005","90","","1212.8","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H23 P Si -","- C11 H23 P Si -","- C44 H92 P4 Si4 -","4","1","","Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle","A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands","Chem.Commun.","2014","50","","1432","","10.1039/c3cc49000a","","","0.71073","MoKα","","0.0631","0.044","","","0.1172","0.1304","","","","","","1.112","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111853","8.8651","0.00019","9.19185","0.00019","11.5192","0.0002","76.653","0.0017","77.0659","0.0018","85.5043","0.0017","889.78","0.03","100.01","0.14","100.01","0.14","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C38 H28 Fe N14 Se2 -","- C38 H28 Fe N14 Se2 -","- C38 H28 Fe N14 Se2 -","1","0.5","","Ross W. Hogue; Reece G. Miller; Nicholas G. White; Humphrey L. C. Feltham; Guy N. L. Jameson; Sally Brooker","Hysteretic spin crossover in iron(II) complexes of a new pyridine-triazole-pyrazine ligand is tuned by choice of NCE co-ligand","Chem.Commun.","2014","50","","1435","","10.1039/c3cc43922d","","","1.54184","CuKα","","0.0287","0.0285","","0.0735","0.0732","0.0735","","","","","","1.0059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111854","8.976","0.0003","9.2721","0.0006","11.5674","0.0007","76.218","0.005","77.043","0.004","84.919","0.004","910.56","0.09","260.01","0.1","260.01","0.1","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C38 H28 Fe N14 Se2 -","- C38 H28 Fe N14 Se2 -","- C38 H28 Fe N14 Se2 -","1","0.5","","Ross W. Hogue; Reece G. Miller; Nicholas G. White; Humphrey L. C. Feltham; Guy N. L. Jameson; Sally Brooker","Hysteretic spin crossover in iron(II) complexes of a new pyridine-triazole-pyrazine ligand is tuned by choice of NCE co-ligand","Chem.Commun.","2014","50","","1435","","10.1039/c3cc43922d","","","1.54184","CuKα","","0.0389","0.037","","0.1012","0.0984","0.1012","","","","","","0.9956","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111855","12.2509","0.0013","6.8857","0.0009","17.815","0.002","90","","93.229","0.005","90","","1500.4","0.3","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N6 -","- C18 H14 N6 -","- C72 H56 N24 -","4","1","","Ross W. Hogue; Reece G. Miller; Nicholas G. White; Humphrey L. C. Feltham; Guy N. L. Jameson; Sally Brooker","Hysteretic spin crossover in iron(II) complexes of a new pyridine-triazole-pyrazine ligand is tuned by choice of NCE co-ligand","Chem.Commun.","2014","50","","1435","","10.1039/c3cc43922d","","","0.71073","MoKα","","0.0546","0.0447","","","0.1056","0.1117","","","","","","1.054","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111856","6.9698","0.0012","9.5108","0.0016","19.233","0.003","90","","90","","90","","1274.9","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","1","","Raymond C. F. Jones; James P. Bullous; Carole C. M. Law; Mark R. J. Elsegood","New routes towards reutericyclin analogues","Chem.Commun.","2014","50","","1588","","10.1039/c3cc47867j","","","0.71073","MoKα","","0.0364","0.0318","","","0.0757","0.0779","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7111857","17.4691","0.0017","21.082","0.002","21.428","0.002","95.022","0.005","91.544","0.004","98.679","0.005","7764.8","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H233 N44 O78.5 Pd6 -","- C96 H148 N32 Pd6 -","- C192 H296 N64 Pd12 -","2","1","","Dipak Samanta; Partha Sarathi Mukherjee","Self-assembled multicomponent Pd6 aggregates showing low-humidity proton conduction","Chem.Commun.","2014","50","","1595","","10.1039/c3cc47965j","","","0.71073","MoKα","","0.0636","0.0445","","","0.1092","0.1151","","","","","","0.973","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111858","50.0277","0.0019","11.5534","0.0005","35.1453","0.0014","90","","127.435","0.002","90","","16129.9","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H230 N44 O77 Pd6 -","- C104 H148 N32 Pd6 -","- C416 H592 N128 Pd24 -","4","0.5","","Dipak Samanta; Partha Sarathi Mukherjee","Self-assembled multicomponent Pd6 aggregates showing low-humidity proton conduction","Chem.Commun.","2014","50","","1595","","10.1039/c3cc47965j","","","0.71073","MoKα","","0.1105","0.0594","","","0.1389","0.1536","","","","","","0.924","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111859","14.4117","0.0013","11.1267","0.001","16.373","0.0015","90","","93.689","0.002","90","","2620","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 N2 O5 -","- C27 H34 N2 O5 -","- C108 H136 N8 O20 -","4","1","","Ruizhi Lu; Xin Cheng; Xingliang Zheng; Shengming Ma","Efficient synthesis of 1,2-bis(alkoxycarbonyl)pyrazol-3-ones from 2,3-allenoic acids, azodicarboxylates and PPh3","Chem.Commun.","2014","50","","1537","","10.1039/c3cc48215d","","","0.71073","MoKα","","0.0961","0.065","","","0.1841","0.2025","","","","","","1.011","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111860","7.9958","0.0003","15.4197","0.0005","19.3202","0.0006","90","","91.49","0.003","90","","2381.24","0.14","294.11","0.1","294.11","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl2 O5 -","- C26 H24 Cl2 O5 -","- C104 H96 Cl8 O20 -","4","1","","Jian-Yi Luo; Hui-Liang Hua; Zi-Sheng Chen; Zhao-Zhao Zhou; Yan-Fang Yang; Ping-Xin Zhou; Yu-Tao He; Xue-Yuan Liu; Yong-Min Liang","Metal-free cascade radical cyclization of 1,6-enynes with aldehydes","Chem.Commun.","2014","50","","1564","","10.1039/c3cc48339h","","","1.5418","CuKα","","0.0649","0.0546","","","0.1541","0.167","","","","","","1.042","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111861","8.6562","0.0009","19.9373","0.0018","12.6769","0.0015","90","","102.331","0.012","90","","2137.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C88 H80 F24 N8 O8 -","8","2","","Jian-Yi Luo; Hui-Liang Hua; Zi-Sheng Chen; Zhao-Zhao Zhou; Yan-Fang Yang; Ping-Xin Zhou; Yu-Tao He; Xue-Yuan Liu; Yong-Min Liang","Metal-free cascade radical cyclization of 1,6-enynes with aldehydes","Chem.Commun.","2014","50","","1564","","10.1039/c3cc48339h","","","0.71073","MoKα","","0.2245","0.1012","","","0.2881","0.3854","","","","","","1.029","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111862","27.119","0.004","10.6814","0.0016","21.58","0.004","90","","131.85","0.003","90","","4656.4","1.3","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C200 H216 N8 O32 -","8","2","","Soundararasu Senthilkumar; Sure Siva Prasad; Ponminor Senthil Kumar; Sundarababu Baskaran","A diversity oriented one-pot synthesis of novel iminosugar C-glycosides","Chem.Commun.","2014","50","","1549","","10.1039/c3cc48370c","","","0.71073","MoKα","","0.078","0.0464","","","0.1042","0.1177","","","","","","0.999","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111863","6.1766","0.0004","9.188","0.0005","14.0208","0.0006","90","","91.209","0.002","90","","795.51","0.08","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C36 H44 N4 O6 -","2","1","","Soundararasu Senthilkumar; Sure Siva Prasad; Ponminor Senthil Kumar; Sundarababu Baskaran","A diversity oriented one-pot synthesis of novel iminosugar C-glycosides","Chem.Commun.","2014","50","","1549","","10.1039/c3cc48370c","","","0.71073","MoKα","","0.0824","0.0475","","","0.0795","0.0906","","","","","","0.99","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111864","10.1384","0.0005","10.2329","0.0005","14.4261","0.0006","87.321","0.002","89.563","0.002","79.123","0.002","1468.14","0.12","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C63 H75 N3 O15 -","- C63 H75 N3 O15 -","- C63 H75 N3 O15 -","1","1","","Soundararasu Senthilkumar; Sure Siva Prasad; Ponminor Senthil Kumar; Sundarababu Baskaran","A diversity oriented one-pot synthesis of novel iminosugar C-glycosides","Chem.Commun.","2014","50","","1549","","10.1039/c3cc48370c","","","0.71073","MoKα","","0.0411","0.0331","","","0.0768","0.0813","","","","","","1.031","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111865","11.4921","0.0012","12.3172","0.0012","18.5804","0.0019","99.322","0.002","102.182","0.002","100","0.002","2477.3","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Er Li O6 Si4 -","- C40 H78 Er Li O6 Si4 -","- C80 H156 Er2 Li2 O12 Si8 -","2","1","","Jennifer J. Le Roy; Ilia Korobkov; Muralee Murugesu","A sandwich complex with axial symmetry for harnessing the anisotropy in a prolate erbium(III) ion","Chem.Commun.","2014","50","","1602","","10.1039/c3cc48557a","","","0.71073","MoKα","","0.0195","0.0177","","","0.0473","0.0481","","","","","","1.019","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111866","16.096","0.0004","9.0213","0.0002","22.1626","0.0005","90","","93.855","0.007","90","","3210.88","0.13","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H28 S2 -","- C45 H28 S2 -","- C180 H112 S8 -","4","1","","Jun Yun Kim; Takuma Yasuda; Yu Seok Yang; Naoki Matsumoto; Chihaya Adachi","Polymorphism in 9,9-diarylfluorene-based organic semiconductors: influence on optoelectronic functions","Chem.Commun.","2014","50","","1523","","10.1039/c3cc48566h","","","0.71075","MoKα","","","0.0347","","","","0.0858","","","","","","1.034","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111867","11.8523","0.0002","13.4938","0.0002","15.4748","0.0003","70.58","0.001","70.779","0.001","81.957","0.001","2202.71","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H49.5 Eu F9 N8.5 O13 S3 -","- C29 H49.5 Eu F9 N8.5 O13 S3 -","- C58 H99 Eu2 F18 N17 O26 S6 -","2","1","","Desigan Sannasy; Helder M. Marques; Manuel A. Fernandes; Alvaro S. de Sousa","Outer-sphere anion recognition by a cyclen-based octadentate europium(III) complex: pH dependent recognition of ortho-phthalic acid","Chem.Commun.","2014","50","","1582","","10.1039/c3cc48628a","","","0.71073","MoKα","","0.0257","0.0234","","","0.0626","0.0637","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111868","9.6189","0.0002","32.1984","0.0007","8.6632","0.0002","90","","99.538","0.001","90","","2646.02","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H45.56 N7 O4.28 -","- C23 H45.56 N7 O4.28 -","- C92 H182.24 N28 O17.12 -","4","1","","Desigan Sannasy; Helder M. Marques; Manuel A. Fernandes; Alvaro S. de Sousa","Outer-sphere anion recognition by a cyclen-based octadentate europium(III) complex: pH dependent recognition of ortho-phthalic acid","Chem.Commun.","2014","50","","1582","","10.1039/c3cc48628a","","","0.71073","MoKα","","0.0936","0.0763","","","0.1749","0.1817","","","","","","1.143","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111869","14.7164","0.001","17.2279","0.0012","22.4826","0.0016","90","","103.12","0.002","90","","5551.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H64 Cl2 O -","- C70 H64 Cl2 O -","- C280 H256 Cl8 O4 -","4","1","","Colm Delaney; Sarath D. Perera; Gearoid M. O. Maille; Sylvia M. Draper","Intriguing Diels-Alder products: chiral centres with an added twist","Chem.Commun.","2014","50","","1599","","10.1039/c3cc48641a","","","0.71073","MoKα","","0.1319","0.0777","","","0.1877","0.2083","","","","","","1.047","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111870","11.797","0.002","17.099","0.003","18.309","0.003","72.282","0.004","89.938","0.004","85.625","0.004","3506.8","1","408","2","408","2","","","","","","","","3","P -1","-P 1","2","","","","- C53 H32 O -","- C53 H32 O -","- C212 H128 O4 -","4","2","","Colm Delaney; Sarath D. Perera; Gearoid M. O. Maille; Sylvia M. Draper","Intriguing Diels-Alder products: chiral centres with an added twist","Chem.Commun.","2014","50","","1599","","10.1039/c3cc48641a","","","0.71073","MoKα","","0.0982","0.0499","","","0.1013","0.1101","","","","","","0.821","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111871","26.2119","0.0014","26.2119","0.0014","36.423","0.003","90","","90","","120","","21672","2","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C30 H18 Cu2 O10 -","- C30 H14 Cu2 O10 -","- C270 H126 Cu18 O90 -","9","0.5","","Jianfeng Cai; Xingtang Rao; Yabing He; Jancan Yu; Chuande Wu; Wei Zhou; Taner Yildirim; Banglin Chen; Guodong Qian","A highly porous NbO type metal-organic framework constructed from an expanded tetracarboxylate","Chem.Commun.","2014","50","","1552","","10.1039/c3cc48747d","","","0.71073","MoKα","","0.1231","0.0665","","","0.1266","0.1397","","","","","","0.944","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111872","12.643","0.0012","14.2835","0.0016","16.965","0.0012","80.423","0.008","87.747","0.007","74.632","0.009","2912.9","0.5","100","","0","","","","","","","","synthesised","5","P -1","-P 1","2","","","","- C65 H69 N3 O13 S -","- C65 H69 N3 O13 S -","- C130 H138 N6 O26 S2 -","2","1","","Richard C. Knighton; Paul D. Beer","Axle component separated ion-pair recognition by a neutral heteroditopic [2]rotaxane","Chem.Commun.","2014","50","","1540","","10.1039/c3cc48905a","","","0.6889","synchrotron","","0.1191","0.0979","","0.313","0.2492","0.3129","","","","","","0.9922","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111878","21.5599","0.0003","21.5599","0.0003","12.8974","0.0003","90","","90","","90","","5995.09","0.18","150","2","150","2","","","","","","","Synthesized","5","P 4 21 2","P 4ab 2ab","90","","","","- C88 H132 Cu6 N8 O35 -","- C88 H132 Cu6 N8 O35 -","- C176 H264 Cu12 N16 O70 -","2","0.25","","Mrigendra Dubey; Ashish Kumar; Daya Shankar Pandey","Homochiral coordination polymeric gel: Zn2±induced conformational changes leading to J-aggregated helical fibres formation","Chem.Commun.","2014","50","","1675","","10.1039/c3cc47359g","","","0.71073","MoKα","","0.0611","0.048","","","0.1218","0.1306","","","","","","1.049","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111879","13.058","0.007","7.606","0.004","18.376","0.01","90","","95.817","0.011","90","","1815.7","1.7","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O6 -","- C19 H22 N2 O6 -","- C76 H88 N8 O24 -","4","1","","Naresh Vemula; Andrew C. Stevens; Tyler B. Schon; Brian L. Pagenkopf","The [4+2] cycloaddition of donor-acceptor cyclobutanes and nitrosoarenes","Chem.Commun.","2014","50","","1668","","10.1039/c3cc47775d","","","0.71073","MoKα","","0.1017","0.0523","","","0.1123","0.1303","","","","","","1.021","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111880","9.2942","0.0005","8.414","0.0005","23.8725","0.0014","90","","93.897","0.002","90","","1862.55","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Br N O6 -","- C18 H22 Br N O6 -","- C72 H88 Br4 N4 O24 -","4","1","","Naresh Vemula; Andrew C. Stevens; Tyler B. Schon; Brian L. Pagenkopf","The [4+2] cycloaddition of donor-acceptor cyclobutanes and nitrosoarenes","Chem.Commun.","2014","50","","1668","","10.1039/c3cc47775d","","","0.71073","MoKα","","0.0477","0.0363","","","0.0868","0.0919","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111881","7.4355","0.0004","20.5015","0.0012","16.7167","0.0009","90","","90","","90","","2548.3","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H11 Br N2 O -","- C16 H9.5 Br N2 O -","- C128 H76 Br8 N16 O8 -","8","2","","Zhoulong Fan; Kui Wu; Li Xing; Qizheng Yao; Ao Zhang","Palladium-catalyzed double C-H activation: one-pot synthesis of benzo[c]pyrazolo[1,2-a]cinnolin-1-ones from 5-pyrazolones and aryl iodides","Chem.Commun.","2014","50","","1682","","10.1039/c3cc47989g","","","0.71073","MoKα","","0.1442","0.0548","","","0.114","0.1417","","","","","","1.009","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111882","16.092","0.004","17.95","0.004","20.171","0.003","90","","123.172","0.013","90","","4876.9","1.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C88 H84 B2 Cl2 Co2 Fe2 N26 O24 -","- C88 H84 B2 Cl2 Co2 Fe2 N26 O24 -","- C176 H168 B4 Cl4 Co4 Fe4 N52 O48 -","2","0.5","","Li Cao; Jun Tao; Qian Gao; Tao Liu; Zhengcai Xia; Dongfeng Li","Selective on/off switching at room temperature of a magnetic bistable {Fe2Co2} complex with single crystal-to-single crystal transformation via intramolecular electron transfer","Chem.Commun.","2014","50","","1665","","10.1039/c3cc48116f","","","0.71073","MoKα","","0.2522","0.1277","","","0.3074","0.3841","","","","","","1.138","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111883","16.331","0.004","18.336","0.004","20.417","0.003","90","","123.639","0.013","90","","5090","2","273","2","273","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C88 H84 B2 Cl2 Co2 Fe2 N26 O24 -","- C88 H84 B2 Cl2 Co2 Fe2 N26 O24 -","- C176 H168 B4 Cl4 Co4 Fe4 N52 O48 -","2","0.5","","Li Cao; Jun Tao; Qian Gao; Tao Liu; Zhengcai Xia; Dongfeng Li","Selective on/off switching at room temperature of a magnetic bistable {Fe2Co2} complex with single crystal-to-single crystal transformation via intramolecular electron transfer","Chem.Commun.","2014","50","","1665","","10.1039/c3cc48116f","","","0.71073","MoKα","","0.2723","0.1634","","","0.3821","0.4416","","","","","","1.359","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111884","15.6722","0.0011","17.925","0.0012","20.6405","0.0011","90","","119.458","0.004","90","","5048.8","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C90 H92 B2 Cl2 Co2 Fe2 N26 O26 -","- C90 H92 B2 Cl2 Co2 Fe2 N26 O26 -","- C180 H184 B4 Cl4 Co4 Fe4 N52 O52 -","2","0.5","","Li Cao; Jun Tao; Qian Gao; Tao Liu; Zhengcai Xia; Dongfeng Li","Selective on/off switching at room temperature of a magnetic bistable {Fe2Co2} complex with single crystal-to-single crystal transformation via intramolecular electron transfer","Chem.Commun.","2014","50","","1665","","10.1039/c3cc48116f","","","0.71073","MoKα","","0.0412","0.0326","","","0.0873","0.0951","","","","","","1.018","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111885","15.698","0.003","17.923","0.004","20.679","0.003","90","","119.442","0.011","90","","5066.8","1.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C90 H92 B2 Cl2 Co2 Fe2 N26 O26 -","- C90 H92 B2 Cl2 Co2 Fe2 N26 O26 -","- C180 H184 B4 Cl4 Co4 Fe4 N52 O52 -","2","0.5","","Li Cao; Jun Tao; Qian Gao; Tao Liu; Zhengcai Xia; Dongfeng Li","Selective on/off switching at room temperature of a magnetic bistable {Fe2Co2} complex with single crystal-to-single crystal transformation via intramolecular electron transfer","Chem.Commun.","2014","50","","1665","","10.1039/c3cc48116f","","","0.71073","MoKα","","0.2181","0.1286","","","0.2786","0.3149","","","","","","1.078","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111886","5.0949","0.0002","12.0655","0.0004","24.209","0.0007","90","","90","","90","","1488.19","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Sze Kui Lam; Sarah Lam; Wing-Tak Wong; Pauline Chiu","Intermolecular (4+3) cycloadditions of aziridinyl enolsilanes","Chem.Commun.","2014","50","","1738","","10.1039/c3cc48266a","","","0.71073","MoKα","","0.0417","0.0336","","","0.073","0.0772","","","","","","1.067","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111887","15.9309","0.0014","6.3941","0.0006","18.8138","0.0016","90","","107.606","0.003","90","","1826.7","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O3 -","- C20 H27 N O3 -","- C80 H108 N4 O12 -","4","2","","Joydeb Majumder; Jolly Deb; Mahua Rani Das; Siddhartha Sankar Jana; Parthasarathi Dastidar","Designing a simple organic salt-based supramolecular topical gel capable of displaying in vivo self-delivery application","Chem.Commun.","2014","50","","1671","","10.1039/c3cc48513g","","","0.71073","MoKα","","0.2234","0.0664","","","0.1413","0.2305","","","","","","0.957","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111888","11.632","0.004","5.9372","0.0019","13.377","0.004","90","","90.327","0.005","90","","923.8","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C42 H46 N2 O6 -","2","1","","Joydeb Majumder; Jolly Deb; Mahua Rani Das; Siddhartha Sankar Jana; Parthasarathi Dastidar","Designing a simple organic salt-based supramolecular topical gel capable of displaying in vivo self-delivery application","Chem.Commun.","2014","50","","1671","","10.1039/c3cc48513g","","","0.71073","MoKα","","0.1908","0.0558","","","0.126","0.2198","","","","","","0.836","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111889","5.7688","0.0014","8.478","0.002","48.065","0.012","90","","90","","90","","2350.8","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O3 -","- C28 H29 N O3 -","- C112 H116 N4 O12 -","4","1","","Joydeb Majumder; Jolly Deb; Mahua Rani Das; Siddhartha Sankar Jana; Parthasarathi Dastidar","Designing a simple organic salt-based supramolecular topical gel capable of displaying in vivo self-delivery application","Chem.Commun.","2014","50","","1671","","10.1039/c3cc48513g","","","0.71073","MoKα","","0.1564","0.0632","","","0.1512","0.2094","","","","","","1.015","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111890","9.3305","0.0011","6.4425","0.0008","19.573","0.002","90","","99.12","0.003","90","","1161.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H34 N2 O5 -","- C23 H34 N2 O5 -","- C46 H68 N4 O10 -","2","1","","Joydeb Majumder; Jolly Deb; Mahua Rani Das; Siddhartha Sankar Jana; Parthasarathi Dastidar","Designing a simple organic salt-based supramolecular topical gel capable of displaying in vivo self-delivery application","Chem.Commun.","2014","50","","1671","","10.1039/c3cc48513g","","","0.71073","MoKα","","0.0489","0.04","","","0.1071","0.1167","","","","","","0.816","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111891","23.57","0.004","4.8479","0.0008","18.554","0.003","90","","90.115","0.009","90","","2120.1","0.6","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C48 H48 N3 O8 -","- C48 H48 N3 O8 -","- C96 H96 N6 O16 -","2","0.5","","Joydeb Majumder; Jolly Deb; Mahua Rani Das; Siddhartha Sankar Jana; Parthasarathi Dastidar","Designing a simple organic salt-based supramolecular topical gel capable of displaying in vivo self-delivery application","Chem.Commun.","2014","50","","1671","","10.1039/c3cc48513g","","","0.71073","MoKα","","0.1171","0.0571","","","0.1533","0.2047","","","","","","1.144","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111892","9.925","0.002","14.231","0.003","29.217","0.006","90","","90","","90","","4126.7","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H27 N O2 -","- C24 H27 N O2 -","- C192 H216 N8 O16 -","8","1","","Leonardo Degennaro; Marina Zenzola; Piera Trinchera; Laura Carroccia; Arianna Giovine; Giuseppe Romanazzi; Aurelia Falcicchio; Renzo Luisi","Regioselective functionalization of 2-arylazetidines: evaluating the ortho-directing ability of the azetidinyl ring and the alpha-directing ability of the N-substituent","Chem.Commun.","2014","50","","1698","","10.1039/c3cc48555b","","","0.71073","MoKα","","0.1974","0.0651","","","0.1393","0.1818","","","","","","0.947","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111893","12.246","0.002","6.725","0.005","14.229","0.002","90","","92.04","0.11","90","","1171.1","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 Ho0 N O3 -","- C27 H29 N O3 -","- C54 H58 N2 O6 -","2","1","","Leonardo Degennaro; Marina Zenzola; Piera Trinchera; Laura Carroccia; Arianna Giovine; Giuseppe Romanazzi; Aurelia Falcicchio; Renzo Luisi","Regioselective functionalization of 2-arylazetidines: evaluating the ortho-directing ability of the azetidinyl ring and the alpha-directing ability of the N-substituent","Chem.Commun.","2014","50","","1698","","10.1039/c3cc48555b","","","0.71073","MoKα","","0.0701","0.0416","","","0.0904","0.107","","","","","","0.983","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111894","19.7757","0.0002","44.7064","0.0005","28.6303","0.0003","90","","90","","90","","25312.1","0.5","173","2","173","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C27 H9 O22 Zn5 -","- C27 H9 O22 Zn5 -","- C432 H144 O352 Zn80 -","16","1","","Jinjie Qian; Feilong Jiang; Linjie Zhang; Kongzhao Su; Jie Pan; Qipeng Li; Daqiang Yuan; Maochun Hong","Unusual pore structure and sorption behaviour in a hexanodal zinc-organic framework material","Chem.Commun.","2014","50","","1678","","10.1039/c3cc48556k","","","1.54184","CuKα","","0.096","0.085","","","0.2496","0.2709","","","","","","1.072","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111895","9.7022","0.0016","12.226","0.002","17.863","0.003","108.791","0.003","95.504","0.002","102.746","0.002","1924.3","0.6","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H72 Co2 N2 P4 -","- C32 H72 Co2 N2 P4 -","- C64 H144 Co4 N4 P8 -","2","1","","Sergio S. Rozenel; Rosa Padilla; Clement Camp; John Arnold","Unusual activation of H2 by reduced cobalt complexes supported by a PNP pincer ligand","Chem.Commun.","2014","50","","2612","","10.1039/c3cc46018e","","","0.71073","MoKα","","0.0971","0.0499","","","0.1084","0.1275","","","","","","1.035","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111896","10.526","0.006","15.026","0.008","15.316","0.008","62.877","0.007","86.128","0.008","85.906","0.008","2149","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H39 Cl Co N P2 -","- C16 H39 Cl Co N P2 -","- C64 H156 Cl4 Co4 N4 P8 -","4","2","","Sergio S. Rozenel; Rosa Padilla; Clement Camp; John Arnold","Unusual activation of H2 by reduced cobalt complexes supported by a PNP pincer ligand","Chem.Commun.","2014","50","","2612","","10.1039/c3cc46018e","","","0.71073","MoKα","","0.0516","0.042","","","0.1038","0.1096","","","","","","1.123","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111897","19.9694","0.0006","7.4326","0.0003","13.6932","0.0005","90","","98.027","0.001","90","","2012.49","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Co N P2 -","- C16 H40 Co N P2 -","- C64 H160 Co4 N4 P8 -","4","0.5","","Sergio S. Rozenel; Rosa Padilla; Clement Camp; John Arnold","Unusual activation of H2 by reduced cobalt complexes supported by a PNP pincer ligand","Chem.Commun.","2014","50","","2612","","10.1039/c3cc46018e","","","0.71073","MoKα","","0.0364","0.0336","","","0.0864","0.0886","","","","","","1.056","","","","has coordinates,has disorder","180232","2020-10-21","18:00:00",""
"7111898","7.6066","0.0008","8.4996","0.0009","17.1584","0.0017","82.406","0.001","82.863","0.0011","69.241","0.001","1024.63","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H36 Co N O P2 -","- C17 H36 Co N O P2 -","- C34 H72 Co2 N2 O2 P4 -","2","1","","Sergio S. Rozenel; Rosa Padilla; Clement Camp; John Arnold","Unusual activation of H2 by reduced cobalt complexes supported by a PNP pincer ligand","Chem.Commun.","2014","50","","2612","","10.1039/c3cc46018e","","","0.71073","MoKα","","0.0332","0.0281","","","0.0685","0.0722","","","","","","1.045","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111899","15.3945","0.0012","15.3945","0.0012","14.6706","0.0006","90","","90","","120","","3011","0.4","413","","413","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C7 H2.33 Co0.66 Gd0.33 N O6 -","- C7 H2.33 Co0.521667 Gd0.333333 N O6 -","- C84 H27.96 Co6.26 Gd4 N12 O72 -","12","0.5","","Zheng Niu; Jian-Gong Ma; Wei Shi; Peng Cheng","Water molecule-driven reversible single-crystal to single-crystal transformation of a multi-metallic coordination polymer with controllable metal ion movement","Chem.Commun.","2014","50","","1839","","10.1039/c3cc47559j","","","0.71073","MoKα","","0.1999","0.0923","","","0.2426","0.2849","","","","","","0.903","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111900","15.7215","0.0008","15.7215","0.0008","14.9689","0.0006","90","","90","","120","","3204.1","0.3","120","","120","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C42 H42 Co4 Gd2 N6 O48 -","- C42 H18 Co4 Gd2 N6 O48 -","- C84 H36 Co8 Gd4 N12 O96 -","2","0.0833333","","Zheng Niu; Jian-Gong Ma; Wei Shi; Peng Cheng","Water molecule-driven reversible single-crystal to single-crystal transformation of a multi-metallic coordination polymer with controllable metal ion movement","Chem.Commun.","2014","50","","1839","","10.1039/c3cc47559j","","","0.7107","MoKα","","0.0503","0.0265","","","0.0621","0.0656","","","","","","0.977","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111901","15.7818","0.0013","15.7818","0.0013","15.006","0.0008","90","","90","","120","","3236.7","0.4","369","","369","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C42 H32 Co4 Gd2 N6 O43 -","- C42 H18 Co4 Gd2 N6 O43.08 -","- C84 H36 Co8 Gd4 N12 O86.16 -","2","0.0833333","","Zheng Niu; Jian-Gong Ma; Wei Shi; Peng Cheng","Water molecule-driven reversible single-crystal to single-crystal transformation of a multi-metallic coordination polymer with controllable metal ion movement","Chem.Commun.","2014","50","","1839","","10.1039/c3cc47559j","","","0.7107","MoKα","","0.0606","0.0477","","","0.1245","0.136","","","","","","1.061","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111902","13.941","0.0009","13.941","0.0009","21.8405","0.0015","90","","90","","120","","3676","0.4","293","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C21 H22.5 Gd N3 O20.25 -","- C21 H9 Gd N3 O18.99 -","- C63 H27 Gd3 N9 O56.97 -","3","1","","Zheng Niu; Jian-Gong Ma; Wei Shi; Peng Cheng","Water molecule-driven reversible single-crystal to single-crystal transformation of a multi-metallic coordination polymer with controllable metal ion movement","Chem.Commun.","2014","50","","1839","","10.1039/c3cc47559j","","","0.71075","MoKα","","0.0805","0.0688","","","0.1646","0.1714","","","","","","1.035","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111903","10.8776","0.0001","13.0996","0.0002","13.25","0.0002","82.1651","0.0007","76.9886","0.0009","66.0524","0.0008","1679.05","0.04","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H37 Cu P2 S -","- C40 H37 Cu P2 S -","- C80 H74 Cu2 P4 S2 -","2","1","","Masahisa Osawa","Highly efficient blue-green delayed fluorescence from copper(I) thiolate complexes: luminescence color alteration by orientation change of the aryl ring","Chem.Commun.","2014","50","","1801","","10.1039/c3cc47871h","","","0.71073","MoKα","","0.0394","0.0324","","","0.0773","0.0814","","","","","","1.042","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111904","13.8491","0.0001","21.0479","0.0002","14.1578","0.0001","90","","91.5815","0.0006","90","","4125.35","0.06","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H53 Cu P2 S -","- C48 H53 Cu P2 S -","- C192 H212 Cu4 P8 S4 -","4","1","","Masahisa Osawa","Highly efficient blue-green delayed fluorescence from copper(I) thiolate complexes: luminescence color alteration by orientation change of the aryl ring","Chem.Commun.","2014","50","","1801","","10.1039/c3cc47871h","","","0.71073","MoKα","","0.0366","0.0305","","","0.0783","0.0814","","","","","","1.043","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111905","16.365","0.004","11.123","0.003","16.421","0.004","90","","119.828","0.003","90","","2593.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 Eu N3 O7 S -","- C29 H18 Eu N3 O7 S -","- C116 H72 Eu4 N12 O28 S4 -","4","1","","Yongqin Wei; Qiaohong Li; Rongjian Sa; Kechen Wu","A white-light-emitting LnMOF with color properties improved via Eu3+ doping: an alternative approach to a rational design for solid-state lighting","Chem.Commun.","2014","50","","1820","","10.1039/c3cc48344d","","","0.71073","MoKα","","0.0558","0.0408","","","0.1341","0.1572","","","","","","1.05","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111906","16.49","0.005","11.144","0.003","16.625","0.004","90","","120.16","0.02","90","","2641.5","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 La N3 O7 S -","- C29 H18 La N3 O7 S -","- C116 H72 La4 N12 O28 S4 -","4","1","","Yongqin Wei; Qiaohong Li; Rongjian Sa; Kechen Wu","A white-light-emitting LnMOF with color properties improved via Eu3+ doping: an alternative approach to a rational design for solid-state lighting","Chem.Commun.","2014","50","","1820","","10.1039/c3cc48344d","","","0.71073","MoKα","","0.0679","0.046","","","0.1518","0.2055","","","","","","1.053","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111907","7.155","0.003","16.427","0.006","17.896","0.007","90","","108.595","0.015","90","","1993.6","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 Cd Cl N3 O3 S -","- C21 H14 Cd Cl N3 O3 S -","- C84 H56 Cd4 Cl4 N12 O12 S4 -","4","1","","Yongqin Wei; Qiaohong Li; Rongjian Sa; Kechen Wu","A white-light-emitting LnMOF with color properties improved via Eu3+ doping: an alternative approach to a rational design for solid-state lighting","Chem.Commun.","2014","50","","1820","","10.1039/c3cc48344d","","","0.71073","MoKα","","0.0679","0.067","","","0.1924","0.193","","","","","","1.109","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111908","14.276","0.006","5.6339","0.0003","14.3645","0.001","90","","94.598","0.013","90","","1151.6","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","GABA monohydrate","4-aminobutanoic acid monohydrate","","- C4 H11 N O3 -","- C4 H11 N O3 -","- C32 H88 N8 O24 -","8","1","","Francesca P. A. Fabbiani; Gernot Buth; Demetrius C. Levendis; Aurora; J.; Cruz-Cabeza'","Pharmaceutical hydrates under ambient conditions from high-pressure seeds: a case study of GABA monohydrate","Chem.Commun.","2014","50","","1817","","10.1039/c3cc48466a","","","0.7","synchrotron","","0.0467","0.0399","","","0.1064","0.1101","","","","","","1.068","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111909","14.3799","0.0009","5.6552","0.0004","14.4202","0.0009","90","","94.499","0.003","90","","1169.05","0.13","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","GABA monohydrate","4-aminobutanoic acid monohydrate","","- C4 H11 N O3 -","- C4 H11 N O3 -","- C32 H88 N8 O24 -","8","1","","Francesca P. A. Fabbiani; Gernot Buth; Demetrius C. Levendis; Aurora; J.; Cruz-Cabeza'","Pharmaceutical hydrates under ambient conditions from high-pressure seeds: a case study of GABA monohydrate","Chem.Commun.","2014","50","","1817","","10.1039/c3cc48466a","","","0.71073","MoKα","","0.0542","0.0379","","","0.0964","0.1038","","","","","","1.031","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7111910","15.908","0.004","5.9035","0.0014","16.411","0.004","90","","102.783","0.004","90","","1503","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","1","","Ting Wu; Ling Pan; Xianxiu Xu; Qun Liu","Regiodivergent heterocyclization: a strategy for the synthesis of substituted pyrroles and furans using alpha-formyl ketene dithioacetals as common precursors","Chem.Commun.","2014","50","","1797","","10.1039/c3cc48546c","","","0.71073","MoKα","","0.0616","0.0424","","","0.0977","0.1078","","","","","","1.026","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111911","8.623","0.0006","10.8704","0.0007","10.8806","0.0007","81.701","0.001","86.189","0.001","78.49","0.001","988.18","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N O4 S2 -","- C19 H23 N O4 S2 -","- C38 H46 N2 O8 S4 -","2","1","","Ting Wu; Ling Pan; Xianxiu Xu; Qun Liu","Regiodivergent heterocyclization: a strategy for the synthesis of substituted pyrroles and furans using alpha-formyl ketene dithioacetals as common precursors","Chem.Commun.","2014","50","","1797","","10.1039/c3cc48546c","","","0.71073","MoKα","","0.0517","0.0439","","","0.1109","0.1174","","","","","","1.024","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111912","8.094","0.002","9.747","0.003","10.514","0.003","76.657","0.005","81.203","0.006","78.138","0.005","785","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C32 H34 N2 O6 S2 -","2","1","","Ting Wu; Ling Pan; Xianxiu Xu; Qun Liu","Regiodivergent heterocyclization: a strategy for the synthesis of substituted pyrroles and furans using alpha-formyl ketene dithioacetals as common precursors","Chem.Commun.","2014","50","","1797","","10.1039/c3cc48546c","","","0.71073","MoKα","","0.0896","0.0633","","","0.1476","0.1675","","","","","","1.028","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111913","13.51","0.004","8.068","0.003","17.081","0.005","90","","107.751","0.006","90","","1773.2","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O4 S2 -","- C19 H16 O4 S2 -","- C76 H64 O16 S8 -","4","1","","Ting Wu; Ling Pan; Xianxiu Xu; Qun Liu","Regiodivergent heterocyclization: a strategy for the synthesis of substituted pyrroles and furans using alpha-formyl ketene dithioacetals as common precursors","Chem.Commun.","2014","50","","1797","","10.1039/c3cc48546c","","","0.71073","MoKα","","0.1312","0.0678","","","0.1795","0.2335","","","","","","0.863","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111914","7.2452","0.0002","13.9706","0.0005","16.3779","0.0007","73.531","0.003","83.678","0.003","89.998","0.003","1579.24","0.1","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 Fe N6 Pt -","- C38 H24 Fe N6 Pt -","- C76 H48 Fe2 N12 Pt2 -","2","1","","Lucia Pineiro-Lopez; Maksym Seredyuk; M. Carmen Munoz; Jose A. Real","Two- and one-step cooperative spin transitions in Hofmann-like clathrates with enhanced loading capacity","Chem.Commun.","2014","50","","1833","","10.1039/c3cc48595a","","","0.71073","MoKα","","0.0553","0.0505","","","0.124","0.1281","","","","","","1.002","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111915","7.3635","0.0002","14.1112","0.0004","16.3906","0.0005","74.663","0.003","82.349","0.002","89.878","0.002","1626.86","0.08","195","1","195","1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 Fe N6 Pt -","- C38 H24 Fe N6 Pt -","- C76 H48 Fe2 N12 Pt2 -","2","1","","Lucia Pineiro-Lopez; Maksym Seredyuk; M. Carmen Munoz; Jose A. Real","Two- and one-step cooperative spin transitions in Hofmann-like clathrates with enhanced loading capacity","Chem.Commun.","2014","50","","1833","","10.1039/c3cc48595a","","","0.71073","MoKα","","0.0289","0.0239","","","0.0519","0.055","","","","","","0.902","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111916","7.5174","0.0002","14.3676","0.0007","16.35","0.002","76.831","0.008","84.282","0.006","89.965","0.003","1710.5","0.2","250","1","250","1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 Fe N6 Pt -","- C38 H24 Fe N6 Pt -","- C76 H48 Fe2 N12 Pt2 -","2","1","","Lucia Pineiro-Lopez; Maksym Seredyuk; M. Carmen Munoz; Jose A. Real","Two- and one-step cooperative spin transitions in Hofmann-like clathrates with enhanced loading capacity","Chem.Commun.","2014","50","","1833","","10.1039/c3cc48595a","","","0.71069","MoKα","","0.116","0.0921","","","0.1786","0.2144","","","","","","1.061","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111917","7.2443","0.0004","13.8127","0.0008","15.4746","0.0009","80.352","0.005","87.669","0.005","89.842","0.005","1525.26","0.15","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H18 Fe N8 O4 Pt -","- C30 H13 Fe N8 O4 Pt -","- C60 H26 Fe2 N16 O8 Pt2 -","2","1","","Lucia Pineiro-Lopez; Maksym Seredyuk; M. Carmen Munoz; Jose A. Real","Two- and one-step cooperative spin transitions in Hofmann-like clathrates with enhanced loading capacity","Chem.Commun.","2014","50","","1833","","10.1039/c3cc48595a","","","0.71073","MoKα","","0.0634","0.0511","","","0.1178","0.1295","","","","","","1.068","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111918","7.4872","0.0007","14.3024","0.0007","15.0203","0.0015","86.393","0.006","84.502","0.008","89.936","0.005","1597.9","0.2","250","1","250","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H18 Fe N8 O4 Pt -","- C30 Fe N8 O4 Pt -","- C60 Fe2 N16 O8 Pt2 -","2","1","","Lucia Pineiro-Lopez; Maksym Seredyuk; M. Carmen Munoz; Jose A. Real","Two- and one-step cooperative spin transitions in Hofmann-like clathrates with enhanced loading capacity","Chem.Commun.","2014","50","","1833","","10.1039/c3cc48595a","","","0.71073","MoKα","","0.1249","0.0995","","","0.1844","0.2111","","","","","","1.161","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111919","25.96","0.007","12.029","0.003","37.245","0.008","90","","110.265","0.009","90","","10911","5","195","2","195","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C59.5 H86 Cr2 N4 -","- C59.5 H86 Cr2 N4 -","- C476 H688 Cr16 N32 -","8","1","","Jingmei Shen; Glenn P. A. Yap; Klaus H. Theopold","Binding and activation of small molecules by a quintuply bonded chromium dimer","Chem.Commun.","2014","50","","2579","","10.1039/c3cc48746f","","","0.71073","MoKα","","0.1397","0.0703","","","0.1727","0.2083","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111920","13.703","0.005","19.311","0.007","19.558","0.007","90","","99.039","0.006","90","","5111","3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H72 Cr2 N4 S2 -","- C52 H72 Cr2 N4 S2 -","- C208 H288 Cr8 N16 S8 -","4","1","","Jingmei Shen; Glenn P. A. Yap; Klaus H. Theopold","Binding and activation of small molecules by a quintuply bonded chromium dimer","Chem.Commun.","2014","50","","2579","","10.1039/c3cc48746f","","","0.71073","MoKα","","0.0772","0.0475","","","0.1202","0.1333","","","","","","1.038","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111921","10.073","0.002","13.461","0.003","13.59","0.003","79.66","0.03","81.58","0.03","80.96","0.03","1777","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H94 Cr2 N6 -","- C64 H82 Cr2 N6 -","- C64 H82 Cr2 N6 -","1","0.5","","Jingmei Shen; Glenn P. A. Yap; Klaus H. Theopold","Binding and activation of small molecules by a quintuply bonded chromium dimer","Chem.Commun.","2014","50","","2579","","10.1039/c3cc48746f","","","0.71073","MoKα","","0.0897","0.0866","","","0.2346","0.2365","","","","","","1.007","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111922","13.946","0.003","21.212","0.004","22.202","0.004","70.368","0.004","87.412","0.004","80.55","0.004","6102","2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C67.5 H95 Cr2 N5 O0.5 -","- C67.5 H95 Cr2 N5 O0.5 -","- C270 H380 Cr8 N20 O2 -","4","2","","Jingmei Shen; Glenn P. A. Yap; Klaus H. Theopold","Binding and activation of small molecules by a quintuply bonded chromium dimer","Chem.Commun.","2014","50","","2579","","10.1039/c3cc48746f","","","0.71073","MoKα","","0.2006","0.0918","","","0.1651","0.2128","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111923","12.257","0.004","13.447","0.004","22.146","0.007","90.757","0.006","100.752","0.005","97.594","0.006","3551.9","1.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H102 Cr2 N4 O3 -","- C78 H92 Cr2 N4 O2 -","- C156 H184 Cr4 N8 O4 -","2","1","","Jingmei Shen; Glenn P. A. Yap; Klaus H. Theopold","Binding and activation of small molecules by a quintuply bonded chromium dimer","Chem.Commun.","2014","50","","2579","","10.1039/c3cc48746f","","","0.71073","MoKα","","0.2342","0.0831","","","0.1067","0.1248","","","","","","0.933","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111924","10.213","0.003","23.838","0.008","18.28","0.006","90","","97.142","0.006","90","","4416","2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H58 Cr N4 -","- C52 H58 Cr N4 -","- C208 H232 Cr4 N16 -","4","1","","Jingmei Shen; Glenn P. A. Yap; Klaus H. Theopold","Binding and activation of small molecules by a quintuply bonded chromium dimer","Chem.Commun.","2014","50","","2579","","10.1039/c3cc48746f","","","0.71073","MoKα","","0.3023","0.0962","","","0.0859","0.1202","","","","","","0.995","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111925","9.4462","0.0004","11.4419","0.0006","21.7054","0.0008","77.79","0.004","87.938","0.003","84.139","0.004","2280.67","0.18","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H41 Cl2 N O3 P2 -","- C55 H41 Cl2 N O3 P2 -","- C110 H82 Cl4 N2 O6 P4 -","2","1","","Chunmiao Han; Liping Zhu; Fangchao Zhao; Zhen Zhang; Jianzhe Wang; Zhaopeng Deng; Hui Xu; Jing Li; Dongge Ma; Pengfei Yan","Suppressing triplet state extension for highly efficient ambipolar phosphine oxide host materials in blue PHOLEDs","Chem.Commun.","2014","50","","2670","","10.1039/c3cc49020c","","","0.71073","MoKα","","0.099","0.0785","","","0.2418","0.2552","","","","","","1.721","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7111926","20.6155","0.0007","20.6155","0.0007","20.6155","0.0007","90","","90","","90","","8761.6","0.5","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C110 H138 N12 O56 Zn11 -","- C108 H36 O94 Zn22 -","- C108 H36 O94 Zn22 -","1","0.0208333","","Xianqiang Huang; Yifa Chen; Zhengguo Lin; Xiaoqian Ren; Yuna Song; Zhenzhu Xu; Xinmei Dong; Xingguo Li; Changwen Hu; Bo Wang","Zn-BTC MOFs with active metal sites synthesized via a structure-directing approach for highly efficient carbon conversion","Chem.Commun.","2014","50","","2624","","10.1039/c3cc49187k","","","0.71073","MoKα","","0.1019","0.0764","","","0.2512","0.2702","","","","","","1.077","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111927","14.2941","0.0008","14.2941","0.0008","14.2941","0.0008","90","","90","","90","","2920.6","0.3","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C36 H48 N6 O17 Zn4 -","- C36 H48 N6 O17 Zn4 -","- C72 H96 N12 O34 Zn8 -","2","0.166667","","Xianqiang Huang; Yifa Chen; Zhengguo Lin; Xiaoqian Ren; Yuna Song; Zhenzhu Xu; Xinmei Dong; Xingguo Li; Changwen Hu; Bo Wang","Zn-BTC MOFs with active metal sites synthesized via a structure-directing approach for highly efficient carbon conversion","Chem.Commun.","2014","50","","2624","","10.1039/c3cc49187k","","","0.71073","MoKα","","0.0951","0.0881","","","0.2344","0.2523","","","","","","1.17","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111928","20.4666","0.0008","20.4666","0.0008","20.4666","0.0008","90","","90","","90","","8573.1","0.6","150","2","150","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C108 H36 N8 O94 Zn22 -","- C108 H36 N8 O93.92 Zn22 -","- C108 H36 N8 O93.92 Zn22 -","1","0.0208333","","Xianqiang Huang; Yifa Chen; Zhengguo Lin; Xiaoqian Ren; Yuna Song; Zhenzhu Xu; Xinmei Dong; Xingguo Li; Changwen Hu; Bo Wang","Zn-BTC MOFs with active metal sites synthesized via a structure-directing approach for highly efficient carbon conversion","Chem.Commun.","2014","50","","2624","","10.1039/c3cc49187k","","","0.71073","MoKα","","0.1003","0.0844","","","0.2615","0.2818","","","","","","1.114","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111929","9.3921","0.0002","16.1731","0.0003","28.6015","0.0005","80.358","0.001","89.767","0.001","80.008","0.001","4216.81","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","bisdibenzo[1,10-6,7]fluorantheno[2,3-b:2'3'-n] tetraphenylene-bis-((18-crown-6)-rubidium) tetrahydrofuran solvate","","- C98 H104 O15.5 Rb2 -","- C92 H92 O14 Rb2 -","- C184 H184 O28 Rb4 -","2","1","","Alexander V. Zabula; Yulia V. Sevryugina; Sarah N. Spisak; Lesya Kobryn; Renata Sygula; Andrzej Sygula; Marina A. Petrukhina","An unsolvated buckycatcher and its first dianion","Chem.Commun.","2014","50","","2657","","10.1039/c3cc49451a","","","1.54178","CuKα","","0.0916","0.0655","","","0.1739","0.1891","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111930","9.8507","0.0003","14.1479","0.0004","15.1646","0.0004","105.607","0.001","102.809","0.001","110.367","0.001","1788.1","0.09","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","Bisdibenzo[1,10-6,7]fluorantheno[2,3-b:2',3'-n]tetraphenylene","","- C60 H28 -","- C60 H28 -","- C120 H56 -","2","1","","Alexander V. Zabula; Yulia V. Sevryugina; Sarah N. Spisak; Lesya Kobryn; Renata Sygula; Andrzej Sygula; Marina A. Petrukhina","An unsolvated buckycatcher and its first dianion","Chem.Commun.","2014","50","","2657","","10.1039/c3cc49451a","","","1.54178","CuKα","","0.0424","0.0374","","","0.093","0.0971","","","","","","1.024","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111931","9.2188","0.0014","14.566","0.002","19.104","0.003","107.302","0.003","92.63","0.003","104.29","0.003","2353.6","0.6","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Br2 O2 S2 -","- C26 H22 Br2 O2 S2 -","- C104 H88 Br8 O8 S8 -","4","2","","Dinesh G. (Dan) Patel; Ian M. Walton; Jordan M. Cox; Cody J. Gleason; David R. Butzer; Jason B. Benedict","Photoresponsive porous materials: the design and synthesis of photochromic diarylethene-based linkers and a metal-organic framework","Chem.Commun.","2014","50","","2653","","10.1039/c3cc49666j","","x-ray","0.71073","MoKα","K-L~3~","0.072","0.0439","","","0.1014","0.1113","","","","","","1.008","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111932","9.9642","0.0004","11.4661","0.0004","11.6872","0.0004","89.573","0.0011","85.9664","0.0011","76.225","0.0012","1293.59","0.08","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Br2 O S2 -","- C26 H20 Br2 O S2 -","- C52 H40 Br4 O2 S4 -","2","1","","Dinesh G. (Dan) Patel; Ian M. Walton; Jordan M. Cox; Cody J. Gleason; David R. Butzer; Jason B. Benedict","Photoresponsive porous materials: the design and synthesis of photochromic diarylethene-based linkers and a metal-organic framework","Chem.Commun.","2014","50","","2653","","10.1039/c3cc49666j","","x-ray","0.71073","MoKα","","0.0753","0.0455","","","0.0967","0.1057","","","","","","1.027","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111933","9.3043","0.0003","21.4919","0.0008","11.002","0.0004","90","","94.3179","0.0008","90","","2193.79","0.13","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Br2 S2 -","- C26 H20 Br2 S2 -","- C104 H80 Br8 S8 -","4","0.5","","Dinesh G. (Dan) Patel; Ian M. Walton; Jordan M. Cox; Cody J. Gleason; David R. Butzer; Jason B. Benedict","Photoresponsive porous materials: the design and synthesis of photochromic diarylethene-based linkers and a metal-organic framework","Chem.Commun.","2014","50","","2653","","10.1039/c3cc49666j","","x-ray","0.71073","MoKα","K-L~3~","0.0255","0.0219","","","0.056","0.0577","","","","","","1.085","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111934","7.3757","0.0003","11.0027","0.0005","17.9502","0.0008","90","","96.2569","0.0014","90","","1448.03","0.11","90","","90","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C26 H18 O4 S2 -","- C26 H18 O4 S2 -","- C52 H36 O8 S4 -","2","0.5","","Dinesh G. (Dan) Patel; Ian M. Walton; Jordan M. Cox; Cody J. Gleason; David R. Butzer; Jason B. Benedict","Photoresponsive porous materials: the design and synthesis of photochromic diarylethene-based linkers and a metal-organic framework","Chem.Commun.","2014","50","","2653","","10.1039/c3cc49666j","","x-ray","0.71073","MoKα","","0.053","0.0423","","","0.1136","0.1189","","","","","","1.083","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111935","34.25","0.019","34.25","0.019","34.25","0.019","90","","90","","90","","40177","4","90","","90","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C48 H42 O13 Zn4 -","- C48 O13 Zn4 -","- C384 O104 Zn32 -","8","0.0416667","","Dinesh G. (Dan) Patel; Ian M. Walton; Jordan M. Cox; Cody J. Gleason; David R. Butzer; Jason B. Benedict","Photoresponsive porous materials: the design and synthesis of photochromic diarylethene-based linkers and a metal-organic framework","Chem.Commun.","2014","50","","2653","","10.1039/c3cc49666j","","x-ray","0.71073","MoKα","","0.2123","0.1937","","","0.5153","0.5539","","","","","","2.901","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111936","10.8863","0.0005","11.9081","0.0006","17.5294","0.0008","71.881","0.004","87.938","0.004","76.949","0.004","2102.52","0.18","175","","175","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H34 F6 N10 O6 S2 Zn -","- C40 H34 F6 N10 O6 S2 Zn -","- C80 H68 F12 N20 O12 S4 Zn2 -","2","1","","Istvan Kocsis; Dan Dumitrescu; Yves-Marie Legrand; Arie van der Lee; Ion Grosu; Mihail Barboiu","Self-sorting of dynamic metallosupramolecular libraries (DMLs) via metal-driven selection","Chem.Commun.","2014","50","","2621","","10.1039/c3cc49673b","","","0.71073","MoKα","","0.0556","0.043","","0.0494","0.0451","0.0451","","","","","","1.187","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111937","9.2473","0.0003","10.7831","0.0004","12.8209","0.0005","94.96","0.003","107.524","0.003","110.985","0.003","1110.81","0.08","175","","175","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H17 Ag F3 N5 O3 S -","- C20 H17 Ag F3 N5 O3 S -","- C40 H34 Ag2 F6 N10 O6 S2 -","2","1","","Istvan Kocsis; Dan Dumitrescu; Yves-Marie Legrand; Arie van der Lee; Ion Grosu; Mihail Barboiu","Self-sorting of dynamic metallosupramolecular libraries (DMLs) via metal-driven selection","Chem.Commun.","2014","50","","2621","","10.1039/c3cc49673b","","","0.71073","MoKα","","0.0358","0.0296","","0.0401","0.0368","0.0368","","","","","","1.0846","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111938","23.4956","0.0005","11.8708","0.0003","31.4169","0.001","90","","98.953","0.003","90","","8655.8","0.4","175","","175","","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C80 H68 F12 N20 O12 Pb2 S4 -","- C80 H68 F12 N20 O12 Pb2 S4 -","- C320 H272 F48 N80 O48 Pb8 S16 -","4","0.5","","Istvan Kocsis; Dan Dumitrescu; Yves-Marie Legrand; Arie van der Lee; Ion Grosu; Mihail Barboiu","Self-sorting of dynamic metallosupramolecular libraries (DMLs) via metal-driven selection","Chem.Commun.","2014","50","","2621","","10.1039/c3cc49673b","","","0.71073","MoKα","","0.0487","0.0331","","0.0512","0.0394","0.0394","","","","","","0.9956","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111939","12.4851","0.0004","12.9394","0.0003","13.0853","0.0005","111.257","0.003","105.181","0.003","103.697","0.003","1767.31","0.13","175","","175","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H52 Cu3 F18 N12 O24 S6 -","- C48 H52 Cu3 F18 N12 O24 S6 -","- C48 H52 Cu3 F18 N12 O24 S6 -","1","0.5","","Istvan Kocsis; Dan Dumitrescu; Yves-Marie Legrand; Arie van der Lee; Ion Grosu; Mihail Barboiu","Self-sorting of dynamic metallosupramolecular libraries (DMLs) via metal-driven selection","Chem.Commun.","2014","50","","2621","","10.1039/c3cc49673b","","","0.71073","MoKα","","0.0655","0.0494","","0.0557","0.0494","0.0494","","","","","","0.9997","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7111940","14.2575","0.0005","13.1713","0.0004","20.8636","0.0008","90","","108.856","0.004","90","","3707.7","0.2","100.05","0.1","100.05","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C136 H192 N16 O40 -","8","1","","Sudeshna Kar; Kung-Wei Wu; I-Jui Hsu; Chi-Rung Lee; Yian Tai","Study of the nano-morphological versatility by self-assembly of a peptide mimetic molecule in response to physical and chemical stimuli","Chem.Commun.","2014","50","","2638","","10.1039/c3cc49769k","","","0.71073","MoKα","","0.043","0.0388","","","0.1026","0.106","","","","","","1.039","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111941","10.647","0.001","10.7328","0.0007","12.432","0.001","99.483","0.006","110.618","0.005","107.209","0.005","1211.29","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H18 B F10 N S -","- C25 H18 B F10 N S -","- C50 H36 B2 F20 N2 S2 -","2","1","","Christina Eller; Kathrin Bussmann; Gerald Kehr; Birgit Wibbeling; Constantin G. Daniliuc; Gerhard Erker","Ethene/alkyne exchange reaction at an intramolecular frustrated Lewis pair","Chem.Commun.","2014","50","","1980","","10.1039/c3cc47769j","","","1.54178","CuKα","","0.0369","0.0352","","","0.0979","0.0998","","","","","","1.038","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111942","11.6658","0.0001","12.1737","0.0001","15.0272","0.0001","102.447","0.001","109.041","0.001","102.988","0.001","1866.56","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H33 B F10 S -","- C42 H33 B F10 S -","- C84 H66 B2 F20 S2 -","2","1","","Christina Eller; Kathrin Bussmann; Gerald Kehr; Birgit Wibbeling; Constantin G. Daniliuc; Gerhard Erker","Ethene/alkyne exchange reaction at an intramolecular frustrated Lewis pair","Chem.Commun.","2014","50","","1980","","10.1039/c3cc47769j","","","1.54178","CuKα","","0.0827","0.0529","","","0.1227","0.1422","","","","","","1.026","","","","has coordinates,has disorder","180233","2020-10-21","18:00:00",""
"7111943","14.0405","0.0012","14.1582","0.0012","16.0389","0.0009","70.793","0.005","80.041","0.005","69.281","0.003","2810.4","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H19 B F10 S -","- C30 H19 B F10 S -","- C120 H76 B4 F40 S4 -","4","2","","Christina Eller; Kathrin Bussmann; Gerald Kehr; Birgit Wibbeling; Constantin G. Daniliuc; Gerhard Erker","Ethene/alkyne exchange reaction at an intramolecular frustrated Lewis pair","Chem.Commun.","2014","50","","1980","","10.1039/c3cc47769j","","","1.54178","CuKα","","0.1918","0.0696","","","0.1472","0.2037","","","","","","1.019","","","","has coordinates,has disorder","180233","2020-10-21","18:00:00",""
"7111944","11.7693","0.0005","19.6839","0.001","22.7064","0.0007","112.09","0.004","90.068","0.003","99.006","0.004","4803.7","0.4","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N4 O2 -","- C26 H32 N4 O2 -","- C208 H256 N32 O16 -","8","4","","Maozhong Tian; Libing Liu; Yongjun Li; Ruifeng Hu; Taifeng Liu; Huibiao Liu; Shu Wang; Yuliang Li","An unusual OFF-ON fluorescence sensor for detecting mercury ions in aqueous media and living cells","Chem.Commun.","2014","50","","2055","","10.1039/c3cc47915c","","","1.5418","CuKα","","0.1106","0.0749","","","0.2076","0.2388","","","","","","1.086","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111945","19.8776","0.0018","10.0497","0.0009","24.271","0.003","90","","107.877","0.006","90","","4614.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H23 Cl3 D N O3 -","- C81 H23 Cl3 D N O3 -","- C324 H92 Cl12 D4 N4 O12 -","4","1","","Regina Eigler; Frank W. Heinemann; Andreas Hirsch","Selective oxidative conversion of triaryldihydro[C59N]fullerenes: a model case for oxygenation of carbon allotropes","Chem.Commun.","2014","50","","2021","","10.1039/c3cc48461k","","","1.54178","CuKα","","0.1068","0.0742","","","0.1994","0.2194","","","","","","1.349","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7111946","15.692","0.004","8.8335","0.0006","9.529","0.006","90","","125.56","0.06","90","","1074.5","1.1","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 Cd N10 -","- C4 H12 Cd N10 -","- C16 H48 Cd4 N40 -","4","0.5","","Zi-Yi Du; Ying-Ping Zhao; Wei-Xiong Zhang; Hao-Long Zhou; Chun-Ting He; Wei Xue; Bao-Ying Wang; Xiao-Ming Chen","Above-room-temperature ferroelastic phase transition in a perovskite-like compound [N(CH3)4][Cd(N3)3]","Chem.Commun.","2014","50","","1989","","10.1039/c3cc48581a","","","0.71073","MoKα","","0.0239","0.0184","","","0.0365","0.0382","","","","","","1.088","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111947","6.3264","0.0003","13.3644","0.0006","6.4349","0.0003","90","","90.023","0.004","90","","544.06","0.04","300","2","300","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C4 H12 Cd N10 -","- C4 H14 Cd N10 -","- C8 H28 Cd2 N20 -","2","0.5","","Zi-Yi Du; Ying-Ping Zhao; Wei-Xiong Zhang; Hao-Long Zhou; Chun-Ting He; Wei Xue; Bao-Ying Wang; Xiao-Ming Chen","Above-room-temperature ferroelastic phase transition in a perovskite-like compound [N(CH3)4][Cd(N3)3]","Chem.Commun.","2014","50","","1989","","10.1039/c3cc48581a","","","0.71073","MoKα","","0.0414","0.0303","","","0.0704","0.0763","","","","","","1.097","","","","has coordinates,has disorder","180233","2020-10-21","18:00:00",""
"7111948","6.5228","0.0001","6.5228","0.0001","6.5228","0.0001","90","","90","","90","","277.525","0.007","350","2","350","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C4 H12 Cd N10 -","- C3.96 Cd N10 -","- C3.96 Cd N10 -","1","0.0208333","","Zi-Yi Du; Ying-Ping Zhao; Wei-Xiong Zhang; Hao-Long Zhou; Chun-Ting He; Wei Xue; Bao-Ying Wang; Xiao-Ming Chen","Above-room-temperature ferroelastic phase transition in a perovskite-like compound [N(CH3)4][Cd(N3)3]","Chem.Commun.","2014","50","","1989","","10.1039/c3cc48581a","","","0.71073","MoKα","","0.0208","0.0199","","","0.0474","0.0477","","","","","","1.057","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111949","17.7982","0.0012","14.7823","0.001","19.3641","0.0014","90","","105.335","0.004","90","","4913.3","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H136 Cl6 N4 Si6 -","- C96 H136 Cl6 N4 Si6 -","- C192 H272 Cl12 N8 Si12 -","2","0.5","","Sandeep More; Sunil Choudhary; Alexander Higelin; Ingo Krossing; Manuel Melle-Franco; Aurelio Mateo-Alonso","Twisted pyrene-fused azaacenes","Chem.Commun.","2014","50","","1976","","10.1039/c3cc48742c","","","0.71073","MoKα","","0.0762","0.0639","","","0.1738","0.1875","","","","","","1.05","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111950","8.7047","0.0003","22.2249","0.0007","28.1465","0.0009","90","","98.745","0.002","90","","5382","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C112 H170 N4 Si6 -","- C112 H170 N4 Si6 -","- C224 H340 N8 Si12 -","2","0.5","","Sandeep More; Sunil Choudhary; Alexander Higelin; Ingo Krossing; Manuel Melle-Franco; Aurelio Mateo-Alonso","Twisted pyrene-fused azaacenes","Chem.Commun.","2014","50","","1976","","10.1039/c3cc48742c","","","0.71073","MoKα","","0.1021","0.0484","","","0.1072","0.1344","","","","","","0.914","","","","has coordinates,has disorder","180233","2020-10-21","18:00:00",""
"7111951","17.4521","0.0004","19.5717","0.0005","20.2714","0.0005","90","","101.544","0.0016","90","","6784","0.3","100","","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C148 H98 N4 Si6 -","- C148 H98 N4 Si6 -","- C296 H196 N8 Si12 -","2","0.5","","Sandeep More; Sunil Choudhary; Alexander Higelin; Ingo Krossing; Manuel Melle-Franco; Aurelio Mateo-Alonso","Twisted pyrene-fused azaacenes","Chem.Commun.","2014","50","","1976","","10.1039/c3cc48742c","","","0.71073","MoKα","","0.0978","0.0647","","","0.1738","0.1897","","","","","","1.086","","","","has coordinates","201208","2020-10-21","18:00:00",""
"7111952","11.64595","0.00008","11.64595","0.00008","31.3727","0.0003","90","","90","","120","","3684.96","0.05","293","2","293","2","","","","","","","","4","P 61","P 61","169","","","","- C24 H27 O8 P -","- C24 H27 O8 P -","- C144 H162 O48 P6 -","6","1","","Fuyi Zhang; Liming Wang; Cui Zhang; Yufen Zhao","Novel regio- and stereoselective phosphonyl radical addition to glycals promoted by Mn(II)-air: syntheses of 1,2-dideoxy 2-C-diphenylphosphinylglycopyranosides","Chem.Commun.","2014","50","","2046","","10.1039/c3cc48806c","","","1.54184","CuKα","","0.0384","0.0365","","","0.0978","0.0995","","","","","","1.033","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111953","7.5547","0.0012","15.716","0.003","15.716","","90","","90","","90","","1866","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N4 O4 -","- C22 H19 N4 O4 -","- C88 H76 N16 O16 -","4","1","","Qi-Long Peng; Shi-Peng Luo; Xiao-Er Xia; Liang-Xian Liu; Pei-Qiang Huang","The four-step total synthesis of (‒)-chaetominine","Chem.Commun.","2014","50","","1986","","10.1039/c3cc48833k","","","0.71073","MoKα","","0.0422","0.0398","","","0.1146","0.1173","","","","","","0.985","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7111954","10.6073","0.0015","10.6073","0.0015","35.206","0.01","90","","90","","120","","3430.5","1.2","273","2","273.15","","","","","","","","","4","P 31","P 31","144","","","","- C11.5 H11.5 N2 O2.5 -","- C11.5 H11.5 N2 O2.5 -","- C138 H138 N24 O30 -","12","4","","Qi-Long Peng; Shi-Peng Luo; Xiao-Er Xia; Liang-Xian Liu; Pei-Qiang Huang","The four-step total synthesis of (‒)-chaetominine","Chem.Commun.","2014","50","","1986","","10.1039/c3cc48833k","","","0.71073","MoKα","","0.1316","0.0973","","","0.2628","0.2887","","","","","","0.9916","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111955","27.1139","0.0017","8.5424","0.0005","8.8326","0.0006","90","","95.562","0.006","90","","2036.2","0.2","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H18 N4 O4 -","- C22 H20 N4 O5 -","- C88 H80 N16 O20 -","4","1","","Qi-Long Peng; Shi-Peng Luo; Xiao-Er Xia; Liang-Xian Liu; Pei-Qiang Huang","The four-step total synthesis of (‒)-chaetominine","Chem.Commun.","2014","50","","1986","","10.1039/c3cc48833k","","","0.71073","MoKα","","0.1265","0.0496","","","0.0589","0.0688","","","","","","0.767","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7111956","14.813","0.003","19.868","0.004","16.899","0.003","90","","111.25","0.03","90","","4635.3","1.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H67 Ge P -","- C54 H66.763 Ge P -","- C216 H267.052 Ge4 P4 -","4","1","","Jonathan W. Dube; Zachary D. Brown; Christine A. Caputo; Philip P. Power; Paul J. Ragogna","Activation of gaseous PH3 with low coordinate diaryltetrylene compounds","Chem.Commun.","2014","50","","1944","","10.1039/c3cc48933g","","","0.71073","MoKα","","0.0751","0.0583","","","0.1449","0.1563","","","","","","1.017","","","","has coordinates,has disorder","180233","2020-10-21","18:00:00",""
"7111957","10.3576","0.0011","22.461","0.002","17.5165","0.0019","90","","99.453","0.003","90","","4019.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H53 P Sn -","- C48 H53 P Sn -","- C192 H212 P4 Sn4 -","4","1","","Jonathan W. Dube; Zachary D. Brown; Christine A. Caputo; Philip P. Power; Paul J. Ragogna","Activation of gaseous PH3 with low coordinate diaryltetrylene compounds","Chem.Commun.","2014","50","","1944","","10.1039/c3cc48933g","","","0.71073","MoKα","","0.1692","0.0661","","","0.1475","0.1888","","","","","","1.007","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111958","17.7068","0.0004","31.1489","0.0009","18.886","0.0005","90","","90.783","0.002","90","","10415.6","0.5","123","0.1","123","0.1","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C69.5 H96 Br10.25 Cl16.5 N4 O10.5 -","- C69.5 H96 Br10.25 Cl16.5 N4 O10.5 -","- C278 H384 Br41 Cl66 N16 O42 -","4","1","","N. Kodiah Beyeh; Mario Cetina; Kari Rissanen","Halogen bonded analogues of deep cavity cavitands","Chem.Commun.","2014","50","","1959","","10.1039/c3cc49010f","","x-ray","0.71073","MoKα","","0.1835","0.1163","","","0.3326","0.3863","","","","","","1.162","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111959","14.9721","0.0004","16.4049","0.0005","20.2775","0.0005","77.836","0.001","83.606","0.002","63.836","0.001","4368.8","0.2","123","0.1","123","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C84 H136 Cl4 N4 O10 -","- C84 H136 Cl4 N4 O10 -","- C168 H272 Cl8 N8 O20 -","2","1","","N. Kodiah Beyeh; Mario Cetina; Kari Rissanen","Halogen bonded analogues of deep cavity cavitands","Chem.Commun.","2014","50","","1959","","10.1039/c3cc49010f","","x-ray","0.71073","MoKα","","0.156","0.1087","","","0.2918","0.3413","","","","","","1.023","","","","has coordinates,has disorder","180233","2020-10-21","18:00:00",""
"7111960","15.6587","0.0006","15.7044","0.0006","20.3684","0.0006","92.294","0.003","110.286","0.003","98.735","0.003","4620.4","0.3","123","0.1","123","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C69.5 H73 Br4.5 Cl20.5 N4 O9.5 -","- C69.5 H73 Br4.5 Cl20.5 N4 O9.5 -","- C139 H146 Br9 Cl41 N8 O19 -","2","1","","N. Kodiah Beyeh; Mario Cetina; Kari Rissanen","Halogen bonded analogues of deep cavity cavitands","Chem.Commun.","2014","50","","1959","","10.1039/c3cc49010f","","","1.54184","CuKα","","0.156","0.1389","","","0.3954","0.4264","","","","","","1.798","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111961","29.3897","0.0013","13.9188","0.0003","27.2095","0.0012","90","","128.814","0.007","90","","8672.8","1","123","0.1","123","0.1","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H88 Br7 Cl9 N4 O8 -","- C75 H88 Br7 Cl9 N4 O8 -","- C300 H352 Br28 Cl36 N16 O32 -","4","0.5","","N. Kodiah Beyeh; Mario Cetina; Kari Rissanen","Halogen bonded analogues of deep cavity cavitands","Chem.Commun.","2014","50","","1959","","10.1039/c3cc49010f","","","1.54184","CuKα","","0.059","0.0543","","","0.1519","0.1579","","","","","","1.031","","","","has coordinates,has disorder","180233","2020-10-21","18:00:00",""
"7111962","18.593","0.004","23.844","0.005","20.988","0.004","90","","95.24","0.03","90","","9266","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H120 Ce2 Cl N2 O41 S8 V12 -","- C48 H120 Ce2 Cl N2 O41 S8 V12 -","- C192 H480 Ce8 Cl4 N8 O164 S32 V48 -","4","0.5","","Andrey Seliverstov; Carsten Streb","Chirality meets visible-light photocatalysis in a molecular cerium vanadium oxide cluster","Chem.Commun.","2014","50","","1827","","10.1039/c3cc48834a","","","0.71073","MoKα","","0.0368","0.0267","","","0.0715","0.0758","","","","","","1.068","","","","has coordinates,has disorder","180233","2020-10-21","18:00:00",""
"7111963","16.205","0.006","24.834","0.008","13.514","0.005","90","","124.244","0.003","90","","4496","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 N6 O16 Zn3 -","- C42 H36 N6 O16 Zn3 -","- C168 H144 N24 O64 Zn12 -","4","0.5","","Li, Gui-Lian; Liu, Guang-Zhen; Ma, Lu-Fang; Xin, Ling-Yun; Li, Xiao-Ling; Wang, Li-Ya","Crystallographic determination of solid-state structural transformations in a dynamic metal‒organic framework","Chemical Communications","2014","50","20","2615","2617","10.1039/c3cc49106d","","","0.71073","MoKα","","0.0318","0.0256","","","0.0701","0.074","","","","","","1.029","","","","has coordinates,has disorder","180233","2020-10-21","18:00:00",""
"7111964","15.7066","0.0013","25.077","0.002","13.4867","0.0011","90","","124.628","0.001","90","","4371.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N3 O8.75 Zn1.5 -","- C20 H18 N3 O8.75 Zn1.5 -","- C160 H144 N24 O70 Zn12 -","8","1","","Li, Gui-Lian; Liu, Guang-Zhen; Ma, Lu-Fang; Xin, Ling-Yun; Li, Xiao-Ling; Wang, Li-Ya","Crystallographic determination of solid-state structural transformations in a dynamic metal‒organic framework","Chemical Communications","2014","50","20","2615","2617","10.1039/c3cc49106d","","","0.71073","MoKα","","0.1249","0.0513","","","0.1002","0.1245","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111965","15.307","0.003","25.365","0.004","13.442","0.002","90","","124.029","0.002","90","","4325.3","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N3 O7.5 Zn1.5 -","- C20 H15 N3 O7.5 Zn1.5 -","- C160 H120 N24 O60 Zn12 -","8","1","","Li, Gui-Lian; Liu, Guang-Zhen; Ma, Lu-Fang; Xin, Ling-Yun; Li, Xiao-Ling; Wang, Li-Ya","Crystallographic determination of solid-state structural transformations in a dynamic metal‒organic framework","Chemical Communications","2014","50","20","2615","2617","10.1039/c3cc49106d","","","0.71073","MoKα","","0.0342","0.0261","","","0.0622","0.0648","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111966","16.291","0.007","24.684","0.011","13.435","0.006","90","","124.098","0.005","90","","4474","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 I N3 O7.5 Zn1.5 -","- C20 H15 I N3 O7.5 Zn1.5 -","- C160 H120 I8 N24 O60 Zn12 -","8","1","","Li, Gui-Lian; Liu, Guang-Zhen; Ma, Lu-Fang; Xin, Ling-Yun; Li, Xiao-Ling; Wang, Li-Ya","Crystallographic determination of solid-state structural transformations in a dynamic metal‒organic framework","Chemical Communications","2014","50","20","2615","2617","10.1039/c3cc49106d","","","0.71073","MoKα","","0.0908","0.0607","","","0.1581","0.1752","","","","","","1.072","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111967","13.838","0.019","13.844","0.019","14.42","0.03","108.31","0.02","110.43","0.02","107.046","0.016","2191","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 N6 O15.5 Zn3 -","- C40 H30 N6 O15.5 Zn3 -","- C80 H60 N12 O31 Zn6 -","2","1","","Li, Gui-Lian; Liu, Guang-Zhen; Ma, Lu-Fang; Xin, Ling-Yun; Li, Xiao-Ling; Wang, Li-Ya","Crystallographic determination of solid-state structural transformations in a dynamic metal‒organic framework","Chemical Communications","2014","50","20","2615","2617","10.1039/c3cc49106d","","","0.71073","MoKα","","0.372","0.1092","","","0.2503","0.3804","","","","","","0.911","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111968","16.9956","0.0012","16.9956","0.0012","16.9956","0.0012","90","","90","","90","","4909.2","0.6","298","2","298","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF8_4barProp","","","- C11.3 H18.8 N4 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","Osama Shekhah; Raja Swaidan; Youssef Belmabkhout; Marike du Plessis; Tia Jacobs; Leonard J. Barbour; Ingo Pinnau; Mohamed Eddaoudi","The liquid phase epitaxy approach for the successful construction of ultra-thin and defect-free ZIF-8 membranes: pure and mixed gas transport study","Chem.Commun.","2014","50","","2089","","10.1039/c3cc47495j","","","0.71073","MoKα","","0.0425","0.0322","","","0.0811","0.0855","","","","","","1.104","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7111969","17","0.004","17","0.004","17","0.004","90","","90","","90","","4913","2","298","2","298","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF8_Prop87bar","","","- C11 H18 N4 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","Osama Shekhah; Raja Swaidan; Youssef Belmabkhout; Marike du Plessis; Tia Jacobs; Leonard J. Barbour; Ingo Pinnau; Mohamed Eddaoudi","The liquid phase epitaxy approach for the successful construction of ultra-thin and defect-free ZIF-8 membranes: pure and mixed gas transport study","Chem.Commun.","2014","50","","2089","","10.1039/c3cc47495j","","","0.71073","MoKα","","0.0387","0.03","","","0.0722","0.0752","","","","","","1.09","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7111970","16.987","0.003","16.987","0.003","16.987","0.003","90","","90","","90","","4901.7","1.5","298","2","298","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF8_2barProp","","","- C10.1 H15.6 N4 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","Osama Shekhah; Raja Swaidan; Youssef Belmabkhout; Marike du Plessis; Tia Jacobs; Leonard J. Barbour; Ingo Pinnau; Mohamed Eddaoudi","The liquid phase epitaxy approach for the successful construction of ultra-thin and defect-free ZIF-8 membranes: pure and mixed gas transport study","Chem.Commun.","2014","50","","2089","","10.1039/c3cc47495j","","","0.71073","MoKα","","0.0446","0.0331","","","0.0782","0.0818","","","","","","1.087","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7111971","16.986","0.014","16.986","0.014","16.986","0.014","90","","90","","90","","4901","7","298","2","298","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF8_Eth35bar","","","- C9 H13 N4 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","Osama Shekhah; Raja Swaidan; Youssef Belmabkhout; Marike du Plessis; Tia Jacobs; Leonard J. Barbour; Ingo Pinnau; Mohamed Eddaoudi","The liquid phase epitaxy approach for the successful construction of ultra-thin and defect-free ZIF-8 membranes: pure and mixed gas transport study","Chem.Commun.","2014","50","","2089","","10.1039/c3cc47495j","","","0.71073","MoKα","","0.0481","0.0291","","","0.0685","0.0768","","","","","","1.041","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7111972","17.001","0.006","17.001","0.006","17.001","0.006","90","","90","","90","","4914","3","298","2","298","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF8_Methane50bar","","","- C11.9 H25.6 N4 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","Osama Shekhah; Raja Swaidan; Youssef Belmabkhout; Marike du Plessis; Tia Jacobs; Leonard J. Barbour; Ingo Pinnau; Mohamed Eddaoudi","The liquid phase epitaxy approach for the successful construction of ultra-thin and defect-free ZIF-8 membranes: pure and mixed gas transport study","Chem.Commun.","2014","50","","2089","","10.1039/c3cc47495j","","","0.71073","MoKα","","0.0481","0.0337","","","0.0937","0.1002","","","","","","1.143","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7111973","17.033","0.002","17.033","0.002","17.033","0.002","90","","90","","90","","4941.7","1","298","2","298","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF8Vacuum","","","- C8 H10 N4 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","Osama Shekhah; Raja Swaidan; Youssef Belmabkhout; Marike du Plessis; Tia Jacobs; Leonard J. Barbour; Ingo Pinnau; Mohamed Eddaoudi","The liquid phase epitaxy approach for the successful construction of ultra-thin and defect-free ZIF-8 membranes: pure and mixed gas transport study","Chem.Commun.","2014","50","","2089","","10.1039/c3cc47495j","","","0.71073","MoKα","","0.0385","0.0325","","","0.0954","0.1034","","","","","","1.245","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7111974","21.3524","0.0009","9.1271","0.0004","30.4606","0.0016","90","","90","","90","","5936.3","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H32 Cl Fe N3 O5.5 -","- C29 H32 Cl Fe N3 O5.5 -","- C232 H256 Cl8 Fe8 N24 O44 -","8","2","","Javier Ruiz; Lucia Garcia; Carmen Mejuto; Marilin Vivanco; M. Rosario Diaz; Santiago Garcia-Grand","Strong electron-donating metalla-N-heterocyclic carbenes","Chem.Commun.","2014","50","","2129","","10.1039/c3cc47987k","","","0.7107","MoKα","","0.1751","0.0859","","","0.1968","0.2631","","","","","","1.014","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111975","25.0135","0.0006","10.895","0.0003","17.0457","0.0004","90","","90","","90","","4645.3","0.2","150","0.1","150","0.1","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C48 H58 Cl F6 Fe N4 O2 P Ru -","- C48 H58 Cl F6 Fe N4 O2 P Ru -","- C192 H232 Cl4 F24 Fe4 N16 O8 P4 Ru4 -","4","1","","Javier Ruiz; Lucia Garcia; Carmen Mejuto; Marilin Vivanco; M. Rosario Diaz; Santiago Garcia-Grand","Strong electron-donating metalla-N-heterocyclic carbenes","Chem.Commun.","2014","50","","2129","","10.1039/c3cc47987k","","","0.7107","MoKα","","0.091","0.0611","","","0.0902","0.0998","","","","","","1.054","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111976","25.762","0.004","25.762","0.004","5.3833","0.0011","90","","90","","90","","3572.8","1.1","293","2","293","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C45 H28 Mn N5 -","- C45 H28 Mn N5 -","- C180 H112 Mn4 N20 -","4","","","Xi Chen; Shu-Qi Wu; Ai-Li Cui; Hui-Zhong Kou","A cyano-bridged single-chain magnet featuring alternate high- and low-spin manganese(III) porphyrins","Chem.Commun.","2014","50","","2120","","10.1039/c3cc48117d","","","0.71073","MoKα","","0.0634","0.0451","","","0.0958","0.1082","","","","","","1.074","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111977","12.5264","0.0003","10.3959","0.0002","10.7767","0.0002","90","","93.142","0.001","90","","1401.27","0.05","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","","Haoquan Li; Anke Spannenberg; Helfried Neumann; Matthias Beller; Xiao-Feng Wu","Regioselective synthesis of 2,3-dihydrobenzodioxepinones from epoxides and 2-bromophenols via palladium-catalyzed carbonylation","Chem.Commun.","2014","50","","2114","","10.1039/c3cc48490d","","","0.71073","MoKα","","0.0407","0.0357","","","0.0914","0.0961","","","","","","1.027","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111978","10.5563","0.0006","13.0186","0.0006","18.3454","0.001","90","","90","","90","","2521.2","0.2","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H24 O4 -","- C33 H24 O4 -","- C132 H96 O16 -","4","1","","Weiliang Chen; Lili Lin; Yunfei Cai; Yong Xia; Weidi Cao; Xiaohua Liu; Xiaoming Feng","Catalytic asymmetric [3+2] cycloaddition of aromatic aldehydes with oxiranes by C-C bond cleavage of epoxides: highly efficient synthesis of chiral 1,3-dioxolanes","Chem.Commun.","2014","50","","2161","","10.1039/c3cc48606k","","","0.71073","MoKα","","0.0405","0.0318","","","0.0661","0.0705","","","","","","1.037","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111979","9.5669","0.0002","19.1416","0.0004","31.576","0.002","90","","90","","90","","5782.4","0.4","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H24 Cl3 O2 P -","- C34 H24 Cl3 O2 P -","- C272 H192 Cl24 O16 P8 -","8","1","","Paul Aillard; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","A [2+2+2] cyclization strategy for the synthesis of phosphorus embedding [6]helicene-like structures","Chem.Commun.","2014","50","","2199","","10.1039/c3cc48943d","","","1.54187","CuKα","","0.0879","0.0687","","","0.1937","0.2411","","","","","","1.187","","","","has coordinates,has disorder","180233","2020-10-21","18:00:00",""
"7111980","10.4867","0.0003","21.768","0.0009","10.583","0.0007","90","","116.312","0.008","90","","2165.5","0.2","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H43 Cl6 O2 P -","- C45 H43 Cl6 O2 P -","- C90 H86 Cl12 O4 P2 -","2","1","","Paul Aillard; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","A [2+2+2] cyclization strategy for the synthesis of phosphorus embedding [6]helicene-like structures","Chem.Commun.","2014","50","","2199","","10.1039/c3cc48943d","","","1.54187","CuKα","","0.1084","0.07","","","0.1866","0.2414","","","","","","1.174","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111981","11.688","0.001","17.404","0.003","9.965","0.002","90","","113.76","0.05","90","","1855.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl N2 O4 -","- C17 H21 Cl N2 O4 -","- C68 H84 Cl4 N8 O16 -","4","1","","E. Martinand-Lurin; A. Dos Santos; L. El Kaim; L. Grimaud; P. Retailleaub","Double Smiles rearrangement of Passerini adducts towards benzoxazinones","Chem.Commun.","2014","50","","2214","","10.1039/c3cc49022j","","","0.71073","MoKα","","0.0762","0.0497","","","0.1335","0.1527","","","","","","1.037","","","","has coordinates,has disorder","180233","2020-10-21","18:00:00",""
"7111982","5.88","0.001","9.12","0.002","14.895","0.002","77.537","0.002","85.432","0.003","77.725","0.003","761.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Cl N O2 -","- C17 H20 Cl N O2 -","- C34 H40 Cl2 N2 O4 -","2","1","","E. Martinand-Lurin; A. Dos Santos; L. El Kaim; L. Grimaud; P. Retailleaub","Double Smiles rearrangement of Passerini adducts towards benzoxazinones","Chem.Commun.","2014","50","","2214","","10.1039/c3cc49022j","","","0.71073","MoKα","","0.0615","0.0449","","","0.1098","0.1217","","","","","","1.017","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111983","5.954","0.001","8.628","0.002","34.703","0.005","90","","93.476","0.002","90","","1779.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl2 N O2 -","- C19 H19 Cl2 N O2 -","- C76 H76 Cl8 N4 O8 -","4","1","","E. Martinand-Lurin; A. Dos Santos; L. El Kaim; L. Grimaud; P. Retailleaub","Double Smiles rearrangement of Passerini adducts towards benzoxazinones","Chem.Commun.","2014","50","","2214","","10.1039/c3cc49022j","","","0.71073","MoKα","","0.0773","0.0512","","","0.1199","0.1357","","","","","","1.032","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111984","7.217","0.001","11.276","0.002","22.803","0.003","90","","92.725","0.003","90","","1853.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Br N O2 -","- C20 H22 Br N O2 -","- C80 H88 Br4 N4 O8 -","4","1","","E. Martinand-Lurin; A. Dos Santos; L. El Kaim; L. Grimaud; P. Retailleaub","Double Smiles rearrangement of Passerini adducts towards benzoxazinones","Chem.Commun.","2014","50","","2214","","10.1039/c3cc49022j","","","0.71073","MoKα","","0.077","0.0473","","","0.1178","0.1362","","","","","","1.027","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111985","11.8142","0.0007","14.0221","0.0008","15.3593","0.0009","90","","90","","90","","2544.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Br2 N O6 -","- C26 H23 Br2 N O6 -","- C104 H92 Br8 N4 O24 -","4","1","","Lin Qiu; Xin Guo; Chaoqun Ma; Huang Qiu; Shunying Liu; Liping Yang; Wenhao Hu","Efficient synthesis of chiral cyclic acetals by metal and Bronsted acid co-catalyzed enantioselective four-component cascade reactions","Chem.Commun.","2014","50","","2196","","10.1039/c3cc49063g","","","0.71073","MoKα","","0.041","0.0309","","","0.0686","0.0736","","","","","","1.025","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111986","13.4112","0.0003","18.3529","0.0005","46.9774","0.0011","90","","90.43","0.001","90","","11562.4","0.5","110","2","110","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","CrOTi Falzone","","","- C115 H77 B2 Cl4 Cr F48 N6 O4 Ti -","- C49 H49 Cr N6 O4 Ti -","- C196 H196 Cr4 N24 O16 Ti4 -","4","1","","A. J. Falzone; J. Nguyen; W. W. Weare; R. D. Sommer; P. D. Boyleb","An unsupported metal hydroxide for the design of molecular mu-oxo bridged heterobimetallic complexes","Chem.Commun.","2014","50","","2139","","10.1039/c3cc49066a","","","0.71073","MoKα","","0.0858","0.0691","","","0.18","0.192","","","","","","1.036","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111987","19.817","0.005","16.704","0.004","28.732","0.007","90","","90.62","0.011","90","","9510","4","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C93 H50 B2 Cr F48 N5 O -","- C93 H50 B2 Cr F48 N5 O -","- C372 H200 B8 Cr4 F192 N20 O4 -","4","0.5","","A. J. Falzone; J. Nguyen; W. W. Weare; R. D. Sommer; P. D. Boyleb","An unsupported metal hydroxide for the design of molecular mu-oxo bridged heterobimetallic complexes","Chem.Commun.","2014","50","","2139","","10.1039/c3cc49066a","","","0.71073","MoKα","","0.0846","0.0628","","","0.1706","0.1822","","","","","","1.051","","","","has coordinates,has disorder","180233","2020-10-21","18:00:00",""
"7111988","20.011","0.006","16.672","0.006","28.937","0.011","90","","90.074","0.016","90","","9654","6","110","","110","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C101 H65 B2 Cl Cr F48 N5 O2 -","- C101 H65 B2 Cl Cr F48 N5 O2 -","- C404 H260 B8 Cl4 Cr4 F192 N20 O8 -","4","0.5","","A. J. Falzone; J. Nguyen; W. W. Weare; R. D. Sommer; P. D. Boyleb","An unsupported metal hydroxide for the design of molecular mu-oxo bridged heterobimetallic complexes","Chem.Commun.","2014","50","","2139","","10.1039/c3cc49066a","","","0.71073","MoKα","","0.1195","0.0629","","","0.1551","0.1834","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7111989","12.8473","0.0013","14.8635","0.0014","16.0931","0.0016","90","","113.307","0.002","90","","2822.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H31 N O5 -","- C35 H31 N O5 -","- C140 H124 N4 O20 -","4","1","","Chengyu Wang; Chunyi Dong; Lingkai Kong; Yanli Li; Yanzhong Li","ZnCl2-catalyzed chemoselective cascade reactions of enaminones with 2-furylcarbinols: a versatile process for the synthesis of cyclopenta[b]pyrrole derivatives","Chem.Commun.","2014","50","","2164","","10.1039/c3cc49191a","","","0.71073","MoKα","","0.0683","0.0559","","","0.1419","0.1532","","","","","","1.031","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111990","22.8802","0.0004","38.761","0.0008","24.4831","0.0004","90","","96.61","0.002","90","","21568.7","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- H150 N6 Na18 O204 Se6 W39 -","- N5.5 Na15.9 O203.5 Se6 W39 -","- N22 Na63.6 O814 Se24 W156 -","4","1","","Jamie M. Cameron; Jing Gao; Laia Vila-Nadal; De-Liang Long; Leroy Cronin","Formation, self-assembly and transformation of a transient selenotungstate building block into clusters, chains and macrocycles","Chem.Commun.","2014","50","","2155","","10.1039/c3cc49293a","","","0.71073","MoKα","","0.0842","0.0505","","","0.1021","0.1186","","","","","","1.032","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111991","30.1962","0.0006","35.7662","0.0006","21.6486","0.0004","90","","90","","90","","23380.6","0.7","150","2","150","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- H134 N12 O184 Pd6 Se6 W39 -","- N10 O176.2 Pd6 Se6 W39 -","- N40 O704.8 Pd24 Se24 W156 -","4","0.25","","Jamie M. Cameron; Jing Gao; Laia Vila-Nadal; De-Liang Long; Leroy Cronin","Formation, self-assembly and transformation of a transient selenotungstate building block into clusters, chains and macrocycles","Chem.Commun.","2014","50","","2155","","10.1039/c3cc49293a","","","0.71073","MoKα","","0.0958","0.0628","","","0.1574","0.1799","","","","","","1.037","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7111992","37.7155","0.0019","26.0468","0.0019","14.082","0.0007","90","","97.632","0.006","90","","13711.2","1.4","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- H140 Li24 Na8 O246 Se8 W48 -","- Li16 Na4.2 O225.8 Se8 W48 -","- Li32 Na8.4 O451.6 Se16 W96 -","2","0.25","","Jamie M. Cameron; Jing Gao; Laia Vila-Nadal; De-Liang Long; Leroy Cronin","Formation, self-assembly and transformation of a transient selenotungstate building block into clusters, chains and macrocycles","Chem.Commun.","2014","50","","2155","","10.1039/c3cc49293a","","","0.71073","MoKα","","0.0918","0.0582","","","0.1372","0.1564","","","","","","1.019","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7111993","15.8262","0.0004","14.0296","0.0003","33.2787","0.0008","90","","91.992","0.002","90","","7384.6","0.3","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C35 H184 Cl Mn4 N7 Na6 O151 Se6 W24 -","- C22.8 Cl Mn4 N5.4 Na4 O126.2 Se6 W24 -","- C45.6 Cl2 Mn8 N10.8 Na8 O252.4 Se12 W48 -","2","0.5","","Jamie M. Cameron; Jing Gao; Laia Vila-Nadal; De-Liang Long; Leroy Cronin","Formation, self-assembly and transformation of a transient selenotungstate building block into clusters, chains and macrocycles","Chem.Commun.","2014","50","","2155","","10.1039/c3cc49293a","","","0.71073","MoKα","","0.0583","0.0426","","","0.1077","0.1128","","","","","","0.969","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7111994","34.2145","0.0006","17.0782","0.0002","25.5489","0.0005","90","","123.828","0.003","90","","12401.5","0.6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- Cl H100 Mn3 N11 Na4 O122 Se6 W24 -","- Cl Mn3 N11 Na3.7 O122 Se6 W24 -","- Cl4 Mn12 N44 Na14.8 O488 Se24 W96 -","4","0.5","","Jamie M. Cameron; Jing Gao; Laia Vila-Nadal; De-Liang Long; Leroy Cronin","Formation, self-assembly and transformation of a transient selenotungstate building block into clusters, chains and macrocycles","Chem.Commun.","2014","50","","2155","","10.1039/c3cc49293a","","","0.71073","MoKα","","0.0466","0.0323","","","0.0715","0.0795","","","","","","1.069","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7111995","9.4786","0.0004","19.3191","0.0009","19.1591","0.0014","90","","100.019","0.007","90","","3454.9","0.3","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H58 P2 Ru -","- C39 H58 P2 Ru -","- C156 H232 P8 Ru4 -","4","1","","Simone Manzini; David J. Nelson; Tomas Lebl; Albert Poater; Luigi Cavallo; Alexandra M. Z. Slawin; Steven P. Nolan","From ruthenium olefin metathesis catalyst to (eta^5^-3-phenylindenyl)hydrido complex via alcoholysis","Chem.Commun.","2014","50","","2205","","10.1039/c3cc49481k","","","0.71075","MoKα","","","0.0318","","","","0.0765","","","","","","0.947","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111996","20.8311","0.001","22.9871","0.0011","29.1866","0.0013","85.462","0.002","71.615","0.002","64.348","0.002","11928.4","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Co15(bisphenolate)6(carbonate3)","","","- C196.5 H284 Co15 N13 O61 -","- C171.5 H231 Co15 N8 O56 -","- C343 H462 Co30 N16 O112 -","2","1","","Ross McLellan; Julien Reze; Stephanie M. Taylor; Ruaraidh D. McIntosh; Euan K. Brechin; Scott J. Dalgarno","Discovering the pivotal role of carbonate in the formation of a bis-phenolate supported Co15 cluster","Chem.Commun.","2014","50","","2202","","10.1039/c4cc00167b","","","0.71073","MoKα","","0.1266","0.0895","","","0.2377","0.2523","","","","","","1.481","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111997","36.17","0.007","13.788","0.003","26.153","0.005","90","","103.07","0.03","90","","12705","5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","1","(Et4N)2[(triphosRe(CN)3)2(La(NO3)3)3].4CH3CN","","- C108 H124 La3 N19 O27 P6 Re2 -","- C108 H124 La3 N19 O27 P6 Re2 -","- C432 H496 La12 N76 O108 P24 Re8 -","4","0.5","","Mohamed R. Saber; Kim R. Dunbar","Trigonal bipyramidal 5d-4f molecules with SMM behavior","Chem.Commun.","2014","50","","2177","","10.1039/c3cc49124b","","","0.71073","MoKα","","0.0425","0.032","","","0.0851","0.0947","","","","","","1.065","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111998","36.149","0.007","13.737","0.003","26.215","0.005","90","","103.85","0.03","90","","12639","5","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2","(Et4N)2[(triphosRe(CN)3)2(Tb(NO3)3)3]?4CH3CN","","- C112 H130 N21 O27 P6 Re2 Tb3 -","- C112 H130 N21 O27 P6 Re2 Tb3 -","- C448 H520 N84 O108 P24 Re8 Tb12 -","4","0.5","","Mohamed R. Saber; Kim R. Dunbar","Trigonal bipyramidal 5d-4f molecules with SMM behavior","Chem.Commun.","2014","50","","2177","","10.1039/c3cc49124b","","","0.71073","MoKα","","0.0675","0.0504","","","0.1301","0.1473","","","","","","1.073","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111999","36.167","0.007","13.819","0.003","26.339","0.005","90","","104.08","0.03","90","","12769","5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","3","(Et4N)2[(triphosRe(CN)3)2(Dy(NO3)3)3]?4CH3CN","","- C112 H130 Dy3 N21 O27 P6 Re2 -","- C112 H130 Dy3 N21 O27 P6 Re2 -","- C448 H520 Dy12 N84 O108 P24 Re8 -","4","0.5","","Mohamed R. Saber; Kim R. Dunbar","Trigonal bipyramidal 5d-4f molecules with SMM behavior","Chem.Commun.","2014","50","","2177","","10.1039/c3cc49124b","","","0.71073","MoKα","","0.0814","0.052","","","0.1308","0.1563","","","","","","1.065","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7112000","15.0927","0.0007","15.0927","0.0007","19.2519","0.0014","90","","90","","90","","4385.4","0.4","223","2","223","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C34 H48 Fe2 N6 O12 -","- C34 H32 Fe2 N6 O12 -","- C136 H128 Fe8 N24 O48 -","4","0.125","","Kanokwan Kongpatpanich; Satoshi Horike; Masayuki Sugimoto; Shinji Kitao; Makoto Seto; Susumu Kitagawa","A porous coordination polymer with a reactive diiron paddlewheel unit","Chem.Commun.","2014","50","","2292","","10.1039/c3cc47954d","","","0.71075","MoKα","","0.0906","0.0818","","","0.2342","0.2487","","","","","","1.123","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112001","8.7985","0.0008","11.4531","0.0011","12.7944","0.0012","82.911","0.008","70.969","0.008","88.819","0.008","1209.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H23 Cu3 I2 N7 O -","- C17 H23 Cu3 I2 N7 O -","- C34 H46 Cu6 I4 N14 O2 -","2","1","","Yun-Long Hou; Raymond Wai-Yin Sun; Xiao-Ping Zhou; Jun-Hao Wang; Dan Li","A copper(I)/copper(II)-salen coordination polymer as a bimetallic catalyst for three-component Strecker reactions and degradation of organic dyes","Chem.Commun.","2014","50","","2295","","10.1039/c3cc47996j","","","0.71073","MoKα","","0.1715","0.0741","","","0.1451","0.1861","","","","","","1.029","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112002","26.546","0.0019","26.546","0.0019","26.546","0.0019","90","","90","","90","","18707","2","296","2","296","2","","","","","","","","5","F m -3","-F 2 2 3","202","","","","- C72 H36 N12 O32 Zr6 -","- C72 H36 N12 O32 Zr6 -","- C288 H144 N48 O128 Zr24 -","4","0.0416667","","Liangjun Li; Sifu Tang; Chao Wang; Xiaoxia Lv; Min Jiang; Huaizhi Wu; Xuebo Zhao","High gas storage capacities and stepwise adsorption in a UiO type metal-organic framework incorporating Lewis basic bipyridyl sites","Chem.Commun.","2014","50","","2304","","10.1039/c3cc48275h","","","0.71073","MoKα","","0.0794","0.0567","","","0.1585","0.1662","","","","","","1.051","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112003","7.0484","0.0006","10.8646","0.0009","14.7271","0.0014","90.854","0.007","99.683","0.007","105.453","0.007","1069.4","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H30 Cl4 N2 O -","- C16 H30 Cl4 N2 O -","- C32 H60 Cl8 N4 O2 -","2","1","","Tim Schulz; Christian Farber; Michael Leibold; Clemens Bruhn; Pascal Prochnow; Julia E. Bandow; Tanja Schneider; Timo Porsch; Max C. Holthausen; Ulrich Siemeling","Diastereoselective synthesis of a bicyclic beta-lactam with penicillin G-like spectrum of activity by carbonylation of an acyclic diaminocarbene","Chem.Commun.","2014","50","","2341","","10.1039/c3cc48538b","","","0.71073","MoKα","","0.0572","0.0522","","","0.1532","0.1574","","","","","","1.058","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112004","12.4314","0.0006","12.4314","0.0006","43.467","0.004","90","","90","","90","","6717.4","0.8","150","2","150","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C56 H122 N6 Na6 O84 P8 V10 -","- C55.9968 H31.9968 N6 Na6 O82 P8 V10 -","- C111.994 H63.9936 N12 Na12 O164 P16 V20 -","2","0.125","","Mariyatra B. Mahimaidoss; Sergey A. Krasnikov; Lukas Reck; Camelia I. Onet; John M. Breen; Nianyong Zhu; Bartosz Marzec; Igor V. Shvets; Wolfgang Schmitt","Homologous size-extension of hybrid vanadate capsules - solid state structures, solution stability and surface deposition","Chem.Commun.","2014","50","","2265","","10.1039/c3cc48541b","","","0.71073","MoKα","","0.1088","0.0883","","","0.2647","0.281","","","","","","1.076","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112005","12.144","0.003","12.144","0.003","49.317","0.018","90","","90","","90","","7273","4","150","2","150","2","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C64 H118 N6 Na6 O82 P8 V10 -","- C64 H76.0024 N6 Na6 O82 P8 V10 -","- C128 H152.005 N12 Na12 O164 P16 V20 -","2","0.125","","Mariyatra B. Mahimaidoss; Sergey A. Krasnikov; Lukas Reck; Camelia I. Onet; John M. Breen; Nianyong Zhu; Bartosz Marzec; Igor V. Shvets; Wolfgang Schmitt","Homologous size-extension of hybrid vanadate capsules - solid state structures, solution stability and surface deposition","Chem.Commun.","2014","50","","2265","","10.1039/c3cc48541b","","","0.71073","MoKα","","0.2415","0.1287","","","0.3085","0.3677","","","","","","0.997","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112006","58.688","0.004","21.7043","0.0016","17.5541","0.0013","90","","94.116","0.001","90","","22302","3","173","2","173","2","","","","","","","","10","C 1 2 1","C 2y","5","","","","- C194 H270 B4 Cl12 F12 Fe2 Ir4 N24 O27 S4 -","- C183 H246 B4 Cl8 F9 Fe2 Ir4 N24 O22 S3 -","- C732 H984 B16 Cl32 F36 Fe8 Ir16 N96 O88 S12 -","4","1","","Ying-Ying Zhang; Yue-Jian Lin; Guo-Xin Jin","Nano-sized heterometallic macrocycles based on 4-pyridinylboron-capped iron(II) clathrochelates: syntheses, structures and properties","Chem.Commun.","2014","50","","2327","","10.1039/c3cc49038f","","","0.71073","MoKα","","0.0986","0.0742","","","0.201","0.2198","","","","","","1.092","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112007","10.557","0.002","16.941","0.004","20.082","0.005","106.9","0.003","90.895","0.004","93.715","0.004","3427","1.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H70 B2 Cl12 Fe Ir2 N8 O6 -","- C52 H70 B2 Cl12 Fe Ir2 N8 O6 -","- C104 H140 B4 Cl24 Fe2 Ir4 N16 O12 -","2","1","","Ying-Ying Zhang; Yue-Jian Lin; Guo-Xin Jin","Nano-sized heterometallic macrocycles based on 4-pyridinylboron-capped iron(II) clathrochelates: syntheses, structures and properties","Chem.Commun.","2014","50","","2327","","10.1039/c3cc49038f","","","0.71073","MoKα","","0.0926","0.0629","","","0.1746","0.2108","","","","","","1.065","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112008","14.9176","0.0011","19.1802","0.0014","23.1519","0.0017","90","","104.435","0.001","90","","6415.2","0.8","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H64 B2 Cl12 Fe Ir2 N8 O6 -","- C46 H64 B2 Cl12 Fe Ir2 N8 O6 -","- C184 H256 B8 Cl48 Fe4 Ir8 N32 O24 -","4","1","","Ying-Ying Zhang; Yue-Jian Lin; Guo-Xin Jin","Nano-sized heterometallic macrocycles based on 4-pyridinylboron-capped iron(II) clathrochelates: syntheses, structures and properties","Chem.Commun.","2014","50","","2327","","10.1039/c3cc49038f","","","0.71073","MoKα","","0.0396","0.0315","","","0.0865","0.0914","","","","","","1.049","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112009","24.1791","0.0005","22.448","0.0005","39.8847","0.0012","90","","106.426","0.003","90","","20764.8","0.9","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C280 H436 Ag70 B10 F40 N4 O73 P2 W18 -","- C280 H426 Ag70 B10 F40 N4 O73 P2 W18 -","- C560 H852 Ag140 B20 F80 N8 O146 P4 W36 -","2","0.5","","Zhan-Guo Jiang; Kang Shi; Yu-Mei Lin; Quan-Ming Wang","Ag70(PW9O34)2(tBuC[triple bond, length as m-dash]C)44(H2O)2]8+: ionothermal synthesis of a silver cluster encapsulating lacunary polyoxometalate ions","Chem.Commun.","2014","50","","2353","","10.1039/c3cc49290g","","","0.71073","MoKα","","0.0915","0.0532","","","0.0864","0.0971","","","","","","0.978","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112010","10.137","0.001","11.833","0.002","20.015","0.002","90","","105.746","0.006","90","","2310.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 Ca O4 Si2 -","- C52 H62 Ca O4 Si2 -","- C104 H124 Ca2 O8 Si4 -","2","0.5","","Valeri Leich; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Hydrosilylation catalysis by an earth alkaline metal silyl: synthesis, characterization, and reactivity of bis(triphenylsilyl)calcium","Chem.Commun.","2014","50","","2311","","10.1039/c3cc49308c","","","0.71073","MoKα","","0.0932","0.0545","","","0.102","0.1183","","","","","","1.033","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112011","9.408","0.003","15.948","0.005","14.884","0.003","90","","106.145","0.005","90","","2145.1","1.1","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C48 H56 Ca O5 Si2 -","- C48 H56 Ca O5 Si2 -","- C96 H112 Ca2 O10 Si4 -","2","1","","Valeri Leich; Thomas P. Spaniol; Laurent Maron; Jun Okuda","Hydrosilylation catalysis by an earth alkaline metal silyl: synthesis, characterization, and reactivity of bis(triphenylsilyl)calcium","Chem.Commun.","2014","50","","2311","","10.1039/c3cc49308c","","","0.71073","MoKα","","0.1678","0.0765","","","0.1706","0.2242","","","","","","0.959","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112012","11.4761","0.0006","12.0349","0.0006","14.8885","0.0007","107.877","0.001","106.825","0.001","101.575","0.001","1776.14","0.15","171","2","171","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H68 Cu2 F12 I2 N6 P2 -","- C74 H68 Cu2 F12 I2 N6 P2 -","- C74 H68 Cu2 F12 I2 N6 P2 -","1","0.5","","Soumen K. Samanta; Jan W. Bats; Michael Schmittel","A five-component nanorotor with speed regulation","Chem.Commun.","2014","50","","2364","","10.1039/c3cc49476d","","","0.71073","MoKα","","0.0851","0.0606","","","0.1578","0.1707","","","","","","1.076","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112013","7.5646","0.001","8.0027","0.0011","12.4858","0.0016","107.363","0.002","94.428","0.002","103.078","0.002","694.13","0.16","273","2","273","2","","","","","","","","5","P 1","P 1","1","C16 H10 N O2 Br","","","- C16 H10 Br N O2 -","- C16 H10 Br N O2 -","- C32 H20 Br2 N2 O4 -","2","2","","Mengru Li; Haiyan Yuan; Baozhong Zhao; Fushun Liang; Jingping Zhang","Alkyne aminohalogenation enabled by DBU-activated N-haloimides: direct synthesis of halogenated enamines","Chem.Commun.","2014","50","","2360","","10.1039/c3cc49572h","","","0.71073","MoKα","","0.0643","0.0485","","","0.1133","0.1262","","","","","","1.026","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112014","15.7021","0.0002","9.69233","0.0001","10.9905","0.0002","90","","93.5974","0.001","90","","1669.35","0.04","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl2 O2 -","- C18 H16 Cl2 O2 -","- C72 H64 Cl8 O8 -","4","1","","Toru Amaya; Takaya Masuda; Yusuke Maegawa; Toshikazu Hirao","Oxovanadium(V)-induced diastereoselective oxidative homocoupling of boron enolates","Chem.Commun.","2014","50","","2279","","10.1039/c3cc49624d","","","1.54187","CuKα","","","0.0561","","","","0.1675","","","","","","1.094","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112015","11.1477","0.0005","13.3381","0.0006","10.5647","0.0005","90","","98.775","0.002","90","","1552.47","0.12","277","","277","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F2 O2 -","- C18 H16 F2 O2 -","- C72 H64 F8 O8 -","4","1","","Toru Amaya; Takaya Masuda; Yusuke Maegawa; Toshikazu Hirao","Oxovanadium(V)-induced diastereoselective oxidative homocoupling of boron enolates","Chem.Commun.","2014","50","","2279","","10.1039/c3cc49624d","","","1.54187","CuKα","","","0.1517","","","","0.4909","","","","","","1.68","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112016","5.7642","0.0003","18.6519","0.0009","24.6623","0.0013","90","","91.236","0.005","90","","2650.9","0.2","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H33 N -","- C35 H33 N -","- C140 H132 N4 -","4","1","","Terrance J. Hadlington; Cameron Jones","A singly bonded amido-distannyne: H2 activation and isocyanide coordination","Chem.Commun.","2014","50","","2321","","10.1039/c3cc49651a","","","0.71073","MoKα","","0.0747","0.0502","","","0.1031","0.1129","","","","","","1.078","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112017","15.259","0.0007","15.4261","0.0008","20.5749","0.0009","88.697","0.002","83.069","0.002","64.915","0.002","4352","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H119 N2 Si2 Sn2 -","- C98 H119 N2 Si2 Sn2 -","- C196 H238 N4 Si4 Sn4 -","2","1","","Terrance J. Hadlington; Cameron Jones","A singly bonded amido-distannyne: H2 activation and isocyanide coordination","Chem.Commun.","2014","50","","2321","","10.1039/c3cc49651a","","","0.71073","MoKα","","0.0911","0.0737","","","0.1521","0.1609","","","","","","1.136","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112018","10.8594","0.0007","12.38","0.0007","12.8382","0.0007","103.735","0.003","101.423","0.003","94.545","0.003","1628.88","0.17","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H78 N2 Sn2 -","- C84 H78 N2 Sn2 -","- C84 H78 N2 Sn2 -","1","0.5","","Terrance J. Hadlington; Cameron Jones","A singly bonded amido-distannyne: H2 activation and isocyanide coordination","Chem.Commun.","2014","50","","2321","","10.1039/c3cc49651a","","","0.71073","MoKα","","0.092","0.0687","","","0.1524","0.166","","","","","","1.063","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112019","17.5664","0.0008","13.8316","0.0005","21.8305","0.0012","90","","91.274","0.005","90","","5302.9","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C116 H164 N4 Si2 Sn2 -","- C116 H164 N4 Si2 Sn2 -","- C232 H328 N8 Si4 Sn4 -","2","0.5","","Terrance J. Hadlington; Cameron Jones","A singly bonded amido-distannyne: H2 activation and isocyanide coordination","Chem.Commun.","2014","50","","2321","","10.1039/c3cc49651a","","","0.71073","MoKα","","0.0981","0.0598","","","0.1438","0.1709","","","","","","1.048","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112020","9.9346","0.0004","13.1778","0.0005","17.8089","0.0008","72.26","0.002","74.655","0.002","71.45","0.002","2068.62","0.15","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H56 Br N Si Sn -","- C47.5 H56 Br N Si Sn -","- C95 H112 Br2 N2 Si2 Sn2 -","2","1","","Terrance J. Hadlington; Cameron Jones","A singly bonded amido-distannyne: H2 activation and isocyanide coordination","Chem.Commun.","2014","50","","2321","","10.1039/c3cc49651a","","","0.71073","MoKα","","0.0439","0.0409","","","0.1071","0.1082","","","","","","1.183","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112021","10.684","0.0005","5.8606","0.0003","23.5393","0.0011","90","","102.936","0.005","90","","1436.5","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","TNM2-BOD","bis(fluorodinitromethyl)bis(1,2,4-oxadiazole)","","- C6 N10 O14 -","- C6 N10 O14 -","- C24 N40 O56 -","4","1","","M. A. Kettner; T. M. Klapotke","5,5'-Bis-(trinitromethyl)-3,3'-bi-(1,2,4-oxadiazole): a stable ternary CNO-compound with high density","Chem.Commun.","2014","50","","2268","","10.1039/c3cc49879d","","","0.71069","MoKα","","0.0505","0.0423","","","0.0929","0.0966","","","","","","1.145","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112022","9.669","0.002","12.029","0.003","14.928","0.004","81.042","0.004","89.413","0.005","89.088","0.004","1714.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H31 Ir N2 O5 S -","- C39 H31 Ir N2 O5 S -","- C78 H62 Ir2 N4 O10 S2 -","2","1","","Xianbin Xu; Xiaolong Yang; Jingshuang Dang; Guijiang Zhou; Yong Wu; Hua Li; Wai-Yeung Wong","Trifunctional IrIII ppy-type asymmetric phosphorescent emitters with ambipolar features for highly efficient electroluminescent devices","Chem.Commun.","2014","50","","2473","","10.1039/c3cc47875k","","","0.71073","MoKα","","0.1436","0.0777","","","0.177","0.2355","","","","","","0.957","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112023","21.716","0.004","12.428","0.002","27.774","0.006","90","","111.59","0.03","90","","6970","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","Keinan-49 (Galit)","","","- C66 H94 N8 O6 S4 -","- C66 H94 N8 O6 S4 -","- C264 H376 N32 O24 S16 -","4","1","","Galit Parvari; Senthilmurugan Annamalai; Iris Borovoi; Helena Chechik; Mark Botoshansky; Doron Pappo; Ehud Keinan","Multifarenes: new modular cavitands","Chem.Commun.","2014","50","","2494","","10.1039/c3cc48284g","","","0.71073","MoKα","","0.2215","0.0912","","","0.2294","0.2876","","","","","","0.882","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112024","12.741","0.001","12.741","0.001","27.303","0.003","90","","90","","120","","3838.4","0.6","293","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C49 H70 N6 O4 S3 -","- C49 H70 N6 O4 S3 -","- C147 H210 N18 O12 S9 -","3","1","","Galit Parvari; Senthilmurugan Annamalai; Iris Borovoi; Helena Chechik; Mark Botoshansky; Doron Pappo; Ehud Keinan","Multifarenes: new modular cavitands","Chem.Commun.","2014","50","","2494","","10.1039/c3cc48284g","","","0.71073","MoKα","","0.0914","0.0673","","","0.192","0.2091","","","","","","1.047","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112025","27.239","0.006","14.56","0.003","19.951","0.004","90","","120.2","0.03","90","","6839","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","keinan-106 (Senthil)","","","- C30.25 H38.5 Cl0.5 N4 O2.5 S2 -","- C30.25 H38.5 Cl0.5 N4 O2.5 S2 -","- C242 H308 Cl4 N32 O20 S16 -","8","1","","Galit Parvari; Senthilmurugan Annamalai; Iris Borovoi; Helena Chechik; Mark Botoshansky; Doron Pappo; Ehud Keinan","Multifarenes: new modular cavitands","Chem.Commun.","2014","50","","2494","","10.1039/c3cc48284g","","","0.71073","MoKα","","0.1092","0.0842","","","0.2504","0.2704","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112026","9.662","0.0018","17.014","0.004","22.052","0.005","107.668","0.008","101.607","0.008","101.768","0.008","3244.2","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 F18 Gd N O8 -","- C23 H23 F18 Gd N O8 -","- C92 H92 F72 Gd4 N4 O32 -","4","2","","Takuya Kanetomo; Takayuki Ishida","Preparation and characterization of [Gd(hfac)3(DTBN)(H2O)] (DTBN = di-t-butyl nitroxide). Ferromagnetic Gd3±Gd3+ super-superexchange","Chem.Commun.","2014","50","","2529","","10.1039/c3cc48326f","","","0.71073","MoKα","","","0.0666","","","","0.135","","","","","","1.045","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112027","10.24","0.02","10.26","0.02","21.35","0.04","94.42","0.03","103.09","0.03","91.42","0.02","2176","7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H22 N2 -","- C28 H22 N2 -","- C112 H88 N8 -","4","2","","Srikanta Samanta; Dipanwita Roy; Saikat Khamarui; Dilip K. Maiti","Ni(II)-salt catalyzed activation of primary amine-sp3Calpha-H and cyclization with 1,2-diketone to tetrasubstituted imidazoles","Chem.Commun.","2014","50","","2477","","10.1039/c3cc48437h","","","0.71073","MoKα","","0.116","0.0888","","","0.2588","0.2767","","","","","","1.112","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112028","23.5685","0.0019","19.6966","0.0016","21.9611","0.0018","90","","109.862","0.0009","90","","9588.3","1.4","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C86 H136 Fe2 N10 Na2 O17 S6 -","- C86 H136 Fe2 N10 Na2 O17 S6 -","- C344 H544 Fe8 N40 Na8 O68 S24 -","4","0.5","","Nathaniel S. Sickerman; Sonja M. Peterson; Joseph W. Ziller; A. S. Borovik","Synthesis, structure and reactivity of FeII/III-NH3 complexes bearing a tripodal sulfonamido ligand","Chem.Commun.","2014","50","","2515","","10.1039/c3cc48804g","","","0.71073","MoKα","","0.0381","0.0323","","","0.085","0.0886","","","","","","1.045","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7112029","13.6656","0.0009","13.6656","0.0009","12.2841","0.0008","90","","90","","120","","1986.7","0.2","88","2","88","2","","","","","","","","6","P 63","P 6c","173","","","","- C33 H48 Fe N5 O6 S3 -","- C33 H47.9997 Fe N5 O6 S3 -","- C66 H95.9994 Fe2 N10 O12 S6 -","2","0.333333","","Nathaniel S. Sickerman; Sonja M. Peterson; Joseph W. Ziller; A. S. Borovik","Synthesis, structure and reactivity of FeII/III-NH3 complexes bearing a tripodal sulfonamido ligand","Chem.Commun.","2014","50","","2515","","10.1039/c3cc48804g","","","0.71073","MoKα","","0.0233","0.0221","","","0.0611","0.0616","","","","","","1.067","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112030","13.645","0.0009","13.645","0.0009","12.2882","0.0008","90","","90","","120","","1981.4","0.2","143","2","143","2","","","","","","","","6","P 63","P 6c","173","","","","- C33 H48 Ga N5 O6 S3 -","- C33 H48 Ga N5 O6 S3 -","- C66 H96 Ga2 N10 O12 S6 -","2","0.333333","","Nathaniel S. Sickerman; Sonja M. Peterson; Joseph W. Ziller; A. S. Borovik","Synthesis, structure and reactivity of FeII/III-NH3 complexes bearing a tripodal sulfonamido ligand","Chem.Commun.","2014","50","","2515","","10.1039/c3cc48804g","","","0.71073","MoKα","","0.019","0.0186","","","0.0518","0.052","","","","","","1.058","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112031","12.132","0.005","9.596","0.004","23.868","0.007","90","","91.292","0.007","90","","2778","1.8","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 Au F6 O P Sb -","- C25 H35 Au F6 O P Sb -","- C100 H140 Au4 F24 O4 P4 Sb4 -","4","1","","Rachel E. M. Brooner; Ross A. Widenhoefer","Experimental evaluation of the electron donor ability of a gold phosphine fragment in a gold carbene complex","Chem.Commun.","2014","50","","2420","","10.1039/c3cc48869a","","","0.71073","MoKα","","0.0746","0.0424","","","0.0913","0.1026","","","","","","1.04","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112032","16.7224","0.0013","12.6623","0.0009","16.7224","0.0013","90","","118.06","","90","","3124.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H54 Li2 N4 -","- C32 H54 Li2 N4 -","- C128 H216 Li8 N16 -","4","1","","Prisca K. Eckert; Barbara Schnura; Carsten Strohmann","Unexpected structural motifs in diamine coordination compounds with allyllithium","Chem.Commun.","2014","50","","2532","","10.1039/c3cc48873j","","","0.71073","MoKα","","0.0793","0.0414","","","0.0782","0.0825","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112033","8.625","0.005","12.896","0.005","13.322","0.005","90","","94.61","0.06","90","","1477","1.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H27 Li N2 -","- C13 H27 Li N2 -","- C52 H108 Li4 N8 -","4","2","","Prisca K. Eckert; Barbara Schnura; Carsten Strohmann","Unexpected structural motifs in diamine coordination compounds with allyllithium","Chem.Commun.","2014","50","","2532","","10.1039/c3cc48873j","","","0.71073","MoKα","","0.1318","0.0393","","","0.0368","0.0405","","","","","","0.81","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112034","12.0087","0.0006","14.031","0.0006","20.106","0.0008","90","","92.561","0.004","90","","3384.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H63 Li3 N4 -","- C29 H63 Li3 N4 -","- C116 H252 Li12 N16 -","4","1","","Prisca K. Eckert; Barbara Schnura; Carsten Strohmann","Unexpected structural motifs in diamine coordination compounds with allyllithium","Chem.Commun.","2014","50","","2532","","10.1039/c3cc48873j","","","0.71073","MoKα","","0.0815","0.0446","","","0.1007","0.1056","","","","","","1.051","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112035","24.0386","0.0014","17.4493","0.0011","18.3975","0.0013","90","","90","","90","","7717","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 N2 O3 Si -","- C17 H30 N2 O3 Si -","- C272 H480 N32 O48 Si16 -","16","4","","Michal Szostak; Brice Sautier; David J. Procter","Structural analysis and reactivity of unusual tetrahedral intermediates enabled by SmI2-mediated reduction of barbituric acids: vinylogous N-acyliminium additions to alpha-hydroxy-N-acyl-carbamides","Chem.Commun.","2014","50","","2518","","10.1039/c3cc48932a","","","1.54178","CuKα","","0.1642","0.0912","","","0.2155","0.2779","","","","","","0.977","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112036","8.3649","0.0004","6.9926","0.0004","19.9506","0.001","90","","93.726","0.003","90","","1164.49","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O3 -","- C12 H18 N2 O3 -","- C48 H72 N8 O12 -","4","1","","Michal Szostak; Brice Sautier; David J. Procter","Structural analysis and reactivity of unusual tetrahedral intermediates enabled by SmI2-mediated reduction of barbituric acids: vinylogous N-acyliminium additions to alpha-hydroxy-N-acyl-carbamides","Chem.Commun.","2014","50","","2518","","10.1039/c3cc48932a","","","1.54178","CuKα","","0.1118","0.1005","","","0.2615","0.2736","","","","","","1.059","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112037","10.4622","0.0011","12.7512","0.0013","13.6245","0.0014","102.777","0.0016","103.965","0.0016","102.101","0.0016","1652.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Organic compound, XXU","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","2","","Xichen Xu; John S. Leszczynski; Savannah M. Mason; Peter Y. Zavalij; Michael P. Doyle","Expedient access to substituted 3-amino-2-cyclopentenones by dirhodium-catalyzed [3+2]-annulation of silylated ketene imines and enoldiazoacetates","Chem.Commun.","2014","50","","2462","","10.1039/c3cc48993k","","","0.71073","MoKα","","0.048","0.0382","","","0.0769","0.082","","","","","","1","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112038","9.3949","0.0003","15.4269","0.0005","19.7387","0.0008","90","","90","","90","","2860.81","0.17","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Br N2 O7 -","- C30 H27 Br N2 O7 -","- C120 H108 Br4 N8 O28 -","4","1","","Li Tian; Guo-Qiang Xu; Yun-Han Li; Yong-Min Liang; Peng-Fei Xu","An efficient strategy for the synthesis of polysubstituted chromeno[4,3-b]pyrrolidine derivatives","Chem.Commun.","2014","50","","2428","","10.1039/c3cc49504c","","","0.7107","MoKα","","0.1184","0.0555","","","","0.1234","","","","","","1.0293","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112039","10.4988","0.0014","12.0318","0.0016","17.227","0.002","95.436","0.003","92.971","0.003","103.641","0.003","2099","0.5","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H60 Fe4 N12 Ni3 S16 -","- C76 H60 Fe4 N12 Ni3 S16 -","- C76 H60 Fe4 N12 Ni3 S16 -","1","0.5","","Tomoyuki Mochida; Eri Nagabuchi; Masashi Takahashi; Hatsumi Mori","Biferrocenium salts with magnetite-like mixed-valence iron: coexistence of Fe3+ and Fe2.5+ in the crystal","Chem.Commun.","2014","50","","2481","","10.1039/c3cc49568j","","","0.71073","MoKα","","0.0827","0.0536","","","0.1317","0.1454","","","","","","1.02","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112040","11.084","0.002","12.27","0.003","17.696","0.003","100.459","0.004","99.486","0.004","112.62","0.004","2110.4","0.7","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H60 Fe4 N12 Pt3 S16 -","- C76 H60 Fe4 N12 Pt3 S16 -","- C76 H60 Fe4 N12 Pt3 S16 -","1","0.5","","Tomoyuki Mochida; Eri Nagabuchi; Masashi Takahashi; Hatsumi Mori","Biferrocenium salts with magnetite-like mixed-valence iron: coexistence of Fe3+ and Fe2.5+ in the crystal","Chem.Commun.","2014","50","","2481","","10.1039/c3cc49568j","","","0.71073","MoKα","","0.1349","0.0625","","","0.1284","0.1562","","","","","","0.935","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112041","9.785","0.0008","14.3183","0.0011","14.4323","0.0011","90","","90","","90","","2022","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","7K","","","- C20 H17 Br F3 N O3 S -","- C20 H17 Br F3 N O3 S -","- C80 H68 Br4 F12 N4 O12 S4 -","4","1","","Magnus Rueping; Xiangqian Liu; Teerawut Bootwicha; Roman Pluta; Carina Merkens","Catalytic enantioselective trifluoromethylthiolation of oxindoles using shelf-stable N-(trifluoromethylthio)phthalimide and a cinchona alkaloid catalyst","Chem.Commun.","2014","50","","2508","","10.1039/c3cc49877h","","","0.71073","MoKα","","0.0335","0.0301","","","0.0642","0.0653","","","","","","1.073","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112042","15.8469","0.0003","6.9983","0.0001","16.9166","0.0003","90","","115.832","0.001","90","","1688.61","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Br Mn N3 O3 -","- C18 H11 Br Mn N3 O3 -","- C72 H44 Br4 Mn4 N12 O12 -","4","1","","Jean-Daniel Compain; Marc Bourrez; Matti Haukka; Alain Deronzier; Sylvie Chardon-Noblat","Manganese carbonyl terpyridyl complexes: their synthesis, characterization and potential application as CO-release molecules","Chem.Commun.","2014","50","","2539","","10.1039/c4cc00197d","","","0.71073","MoKα","","0.039","0.0258","","","0.0574","0.0616","","","","","","1.021","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112043","13.7134","0.0006","16.0497","0.0006","18.5403","0.0006","85.689","0.003","86.517","0.003","66.63","0.004","3733.1","0.3","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Complex 2_py_2","","","- C67 H107 N3 O2 Si4 Ti2 -","- C67 H107 N3 O2 Si4 Ti2 -","- C134 H214 N6 O4 Si8 Ti4 -","2","1","","Alexander F. R. Kilpatrick; F. Geoffrey N. Cloke","Reductive deoxygenation of CO2 by a bimetallic titanium bis(pentalene) complex","Chem.Commun.","2014","50","","2769","","10.1039/c3cc48379g","","x-ray","1.54184","CuKα","","0.0652","0.056","","","0.1561","0.1622","","","","","","0.999","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112044","12.894","0.003","22.342","0.005","19.113","0.004","90","","92.18","0.03","90","","5502","2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","Complex 3","","","- C54 H92 O2 Si4 Ti2 -","- C54 H92 O2 Si4 Ti2 -","- C216 H368 O8 Si16 Ti8 -","4","1","","Alexander F. R. Kilpatrick; F. Geoffrey N. Cloke","Reductive deoxygenation of CO2 by a bimetallic titanium bis(pentalene) complex","Chem.Commun.","2014","50","","2769","","10.1039/c3cc48379g","","x-ray","0.71073","MoKα","","0.1018","0.0766","","","0.2107","0.2279","","","","","","1.067","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112045","15.068","0.005","14.208","0.005","30.518","0.01","90","","99.173","0.004","90","","6450","4","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H50 B3 Cl12 F6 N9 -","- C58 H50 B3 Cl12 F6 N9 -","- C232 H200 B12 Cl48 F24 N36 -","4","1","","Hiroki Yokoi; Naruhiko Wachi; Satoru Hiroto; Hiroshi Shinokubo","Oxidation of 2-amino-substituted BODIPYs providing pyrazine-fused BODIPY trimers","Chem.Commun.","2014","50","","2715","","10.1039/c3cc48738e","","","0.71075","MoKα","","0.11","0.0938","","","0.2718","0.2931","","","","","","1.05","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112046","14.6707","0.0006","17.145","0.0007","18.0545","0.001","118.335","0.0017","96.657","0.003","90.695","0.002","3958.5","0.3","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C80.12 H67.72 B3 Cl1.09 F6 N15.52 O6.25 -","- C80.118 H67.7216 B3 Cl1.088 F6 N15.515 O6.25 -","- C160.236 H135.443 B6 Cl2.176 F12 N31.03 O12.5 -","2","1","","Hiroki Yokoi; Naruhiko Wachi; Satoru Hiroto; Hiroshi Shinokubo","Oxidation of 2-amino-substituted BODIPYs providing pyrazine-fused BODIPY trimers","Chem.Commun.","2014","50","","2715","","10.1039/c3cc48738e","","","0.71073","Mo","","0.1129","0.0871","","","0.2442","0.2809","","","","","","1.026","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112047","16.727","0.003","6.873","0.0014","21.026","0.004","90","","101.89","0.03","90","","2365.4","0.8","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Cl2 N2 O0 -","- C30 H22 Cl2 N2 -","- C120 H88 Cl8 N8 -","4","1","","Xiaoyu Yan; Song Zou; Peng Zhao; Chanjuan Xi","MeOTf-induced carboannulation of arylnitriles and aromatic alkynes: a new metal-free strategy to construct indenones","Chem.Commun.","2014","50","","2775","","10.1039/c4cc00088a","","","0.71073","MoKα","","","0.0837","","","0.239","0.2509","","","","","","0.967","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112048","5.6803","0.0017","32.719","0.009","16.563","0.005","90","","98.393","0.017","90","","3045.3","1.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 O -","- C18 H24 O -","- C144 H192 O8 -","8","2","","Jean-Olivier Zirimwabagabo; Joseph P. A. Harrity","Pd-catalyzed kinetic resolution of cyclic enol ethers. An enantioselective route to functionalised pyrans","Chem.Commun.","2014","50","","2735","","10.1039/c4cc00109e","","","0.71073","MoKα","","0.3016","0.1003","","","0.167","0.237","","","","","","0.908","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112049","5.1024","0.0005","12.3099","0.0012","22.118","0.002","90","","90","","90","","1389.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br N O -","- C17 H12 Br N O -","- C68 H48 Br4 N4 O4 -","4","1","","Avipsa Ghosh; Levi M. Stanley","Enantioselective hydroacylation of N-vinylindole-2-carboxaldehydes","Chem.Commun.","2014","50","","2765","","10.1039/c4cc00210e","","","0.71073","","","0.0263","0.0218","","","0.0503","0.0514","","","","","","0.999","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112050","12.2156","0.0004","12.5195","0.0005","13.8368","0.0005","90","","104.242","0.002","90","","2051.07","0.13","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C50 H42 B2 N4 P2 Pt -","- C50 H42 B2 N4 P2 Pt -","- C100 H84 B4 N8 P4 Pt2 -","2","0.5","","H. Schubert; W. Leis; H. A. Mayer; L. Wesemann","A bidentate boryl ligand: syntheses of platinum and iridium complexes","Chem.Commun.","2014","50","","2738","","10.1039/c4cc00344f","","","0.71073","MoKα","","0.0216","0.0195","","","0.0435","0.044","","","","","","1.088","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112051","11.135","0.0003","14.5868","0.0004","15.8347","0.0004","93.111","0.001","103.149","0.001","95.758","0.001","2483.97","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H56 B2 Cl Ir N4 P2 -","- C56 H56 B2 Cl Ir N4 P2 -","- C112 H112 B4 Cl2 Ir2 N8 P4 -","2","1","","H. Schubert; W. Leis; H. A. Mayer; L. Wesemann","A bidentate boryl ligand: syntheses of platinum and iridium complexes","Chem.Commun.","2014","50","","2738","","10.1039/c4cc00344f","","","0.71073","MoKα","","0.0438","0.0328","","","0.0682","0.0717","","","","","","1.029","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112052","8.1562","0.0016","14.302","0.003","16.983","0.003","90","","97.22","0.03","90","","1965.4","0.7","293","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N2 O -","- C27 H20 N2 O -","- C108 H80 N8 O4 -","4","1","","Pengchong Xue; Peng Chen; Junhui Jia; Qiuxia Xu; Jiabao Sun; Boqi Yao; Zhenqi Zhang; Ran Lu","A triphenylamine-based benzoxazole derivative as a high-contrast piezofluorochromic material induced by protonation","Chem.Commun.","2014","50","","2569","","10.1039/c3cc49208g","","","0.71073","MoKα","","0.0621","0.0434","","","0.0985","0.1059","","","","","","1.043","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112053","10.8261","0.0003","13.8895","0.0003","14.4115","0.0003","83.893","0.002","78.095","0.002","86.848","0.002","2107.18","0.09","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H59 Cl O Os P2 -","- C47 H59 Cl O Os P2 -","- C94 H118 Cl2 O2 Os2 P4 -","2","1","","Emmanuel Anger; Monika Srebro; Nicolas Vanthuyne; Christian Roussel; Loic Toupet; Jochen Autschbach; Regis Reau; Jeanne Crassous","Helicene-grafted vinyl- and carbene-osmium complexes: an example of acid-base chiroptical switching","Chem.Commun.","2014","50","","2854","","10.1039/c3cc47825d","","","0.71073","MoKα","","0.0596","0.0382","","","0.0693","0.0726","","","","","","0.923","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112054","10.2366","0.0015","11.5506","0.0016","12.0967","0.0012","111.662","0.012","94.591","0.01","98.2","0.012","1301.9","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Cl Cu N6 O7 -","- C25 H25 Cl Cu N6 O7 -","- C50 H50 Cl2 Cu2 N12 O14 -","2","1","","Sunghee Kim; Maxime A. Siegler; Kenneth D. Karlin","Peroxynitrite chemistry derived from nitric oxide reaction with a Cu(II)-OOH species and a copper mediated NO reductive coupling reaction","Chem.Commun.","2014","50","","2844","","10.1039/c3cc47942k","","","0.71073","MoKα","","0.0357","0.0298","","","0.0782","0.0804","","","","","","1.059","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112055","30.2922","0.0013","30.2922","0.0013","29.597","0.003","90","","90","","90","","27159","3","100","2","100","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- C84 H54 Cu6 O33 -","- C84 Cu6 O33 -","- C336 Cu24 O132 -","4","0.25","","Jiandong Pang; Feilong Jiang; Mingyan Wu; Daqiang Yuan; Kang Zhou; Jinjie Qian; Kongzhao Sua; Maochun Hong","Coexistence of cages and one-dimensional channels in a porous MOF with high H2 and CH4 uptakes","Chem.Commun.","2014","50","","2834","","10.1039/c3cc48381a","","","1.54184","CuKα","","0.2416","0.1514","","","0.3906","0.4281","","","","","","1.062","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112056","11.006","0.0001","12.6495","0.0002","13.3854","0.0002","100.604","0.0006","104.683","0.0006","92.123","0.0007","1765","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Foldamer","","","- C29 H40 N8 O9 S2 -","- C29 H40 N8 O9 S2 -","- C58 H80 N16 O18 S4 -","2","1","","Sangram S. Kale; Shrikant M. Kunjir; Rupesh L. Gawade; Vedavati G. Puranik; P. R. Rajamohanan; Gangadhar J. Sanjayan","Conformational modulation of peptide secondary structures using beta-aminobenzenesulfonic acid","Chem.Commun.","2014","50","","2886","","10.1039/c3cc48850k","","","0.71073","MoKα","","0.0533","0.0427","","","0.1186","0.1293","","","","","","1.002","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112057","12.9152","0.0003","7.5313","0.0002","17.4463","0.0004","90","","94.512","0.001","90","","1691.71","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Foldamer","","","- C30 H38 N8 O9 S2 -","- C30 H38 N8 O9 S2 -","- C60 H76 N16 O18 S4 -","2","1","","Sangram S. Kale; Shrikant M. Kunjir; Rupesh L. Gawade; Vedavati G. Puranik; P. R. Rajamohanan; Gangadhar J. Sanjayan","Conformational modulation of peptide secondary structures using beta-aminobenzenesulfonic acid","Chem.Commun.","2014","50","","2886","","10.1039/c3cc48850k","","","0.71073","MoKα","","0.0705","0.0486","","","0.0919","0.1024","","","","","","1.039","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112058","13.0803","0.0004","17.4938","0.0006","17.6157","0.0005","90","","95.16","0.002","90","","4014.6","0.2","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C62 H67 Fe2 Mo2 N37 O9 -","- C62 H43 Fe2 Mo2 N37 O9 -","- C124 H86 Fe4 Mo4 N74 O18 -","2","0.5","","A. Mondal; Y. Li; L.-M. Chamoreau; M. Seuleiman; L. Rechignat; A. Bousseksou; M.-L. Boillot; R. Lescouēzec","Photo- and thermo-induced spin crossover in a cyanide-bridged {Mo^V^~2Fe^II^~2~} rhombus molecule","Chem.Commun.","2014","50","","2893","","10.1039/c3cc49164a","","","0.71073","MoKα","","0.0875","0.0516","","","0.1371","0.1587","","","","","","1.027","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112059","6.3144","0.0006","20.2085","0.0019","9.4966","0.0009","90","","106.005","0.001","90","","1164.84","0.19","288","2","288","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Co N O4 -","- C11 H14 Co N O4 -","- C44 H56 Co4 N4 O16 -","4","1","","Yuan-Chao Pang; Xiufang Hou; Lei Qin; Chao Wu; Wei Xue; Yan-Zhen Zheng; Zhiping Zheng; Xiao-Ming Chen","Observation of allylic rearrangement in water-rich reaction","Chem.Commun.","2014","50","","2910","","10.1039/c3cc49287g","","","0.71073","MoKα","","0.0547","0.0506","","","0.1351","0.1385","","","","","","1.06","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112060","7.583","0.0006","9.8009","0.0008","13.5331","0.001","71.891","0.001","86.053","0.001","71.757","0.001","907.46","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 Mn2 O9 -","- C16 H18 Mn2 O9 -","- C32 H36 Mn4 O18 -","2","1","","Yuan-Chao Pang; Xiufang Hou; Lei Qin; Chao Wu; Wei Xue; Yan-Zhen Zheng; Zhiping Zheng; Xiao-Ming Chen","Observation of allylic rearrangement in water-rich reaction","Chem.Commun.","2014","50","","2910","","10.1039/c3cc49287g","","","0.71073","MoKα","","0.0323","0.0289","","","0.0759","0.0779","","","","","","1.047","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112061","11.247","0.003","17.258","0.004","19.487","0.005","90","","90","","90","","3782.4","1.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H34 Cl3 N O2 P S -","- C41 H34 Cl3 N O2 P S -","- C164 H136 Cl12 N4 O8 P4 S4 -","4","1","","Hong-Gang Cheng; Bin Feng; Li-Yan Chen; Wei Guo; Xiao-Ye Yu; Liang-Qiu Lu; Jia-Rong Chen; Wen-Jing Xiao","Rational design of sulfoxide-phosphine ligands for Pd-catalyzed enantioselective allylic alkylation reactions","Chem.Commun.","2014","50","","2873","","10.1039/c3cc49488h","","","0.71073","MoKα","","0.1056","0.0603","","","0.1385","0.1627","","","","","","1.028","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112062","30.972","0.003","15.6087","0.0011","18.9592","0.0013","90","","93.149","0.004","90","","9151.7","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","MP0229","","","- C44 H37 Cl Hf N4 O -","- C44 H37 Cl1.005 Hf N4 O -","- C352 H296 Cl8.04 Hf8 N32 O8 -","8","1","","Rosa Padilla; Heather L. Buckley; Ashleigh L. Ward; John Arnold","Synthesis, structure and reactivity of group 4 corrole complexes","Chem.Commun.","2014","50","","2922","","10.1039/c4cc00037d","","","0.71073","MoKα","","0.0685","0.0436","","","0.0995","0.1067","","","","","","1.025","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112063","25.746","0.0012","14.2366","0.0007","26.5033","0.0013","90","","106.672","0.003","90","","9306","0.8","103","2","103","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","alw072","","","- C48 H48 N4 O Si Ti Zr0 -","- C48 H48 N4 O Si Ti -","- C384 H384 N32 O8 Si8 Ti8 -","8","1","","Rosa Padilla; Heather L. Buckley; Ashleigh L. Ward; John Arnold","Synthesis, structure and reactivity of group 4 corrole complexes","Chem.Commun.","2014","50","","2922","","10.1039/c4cc00037d","","","0.71073","MoKα","","0.0679","0.0516","","","0.1362","0.1443","","","","","","1.057","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112064","31.206","0.003","7.8852","0.0007","17.2435","0.0015","90","","117.308","0.003","90","","3770.2","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","MP0235","","","- C44 H37 Cl N4 O Ti -","- C44 H37 Cl N4 O Ti -","- C176 H148 Cl4 N16 O4 Ti4 -","4","1","","Rosa Padilla; Heather L. Buckley; Ashleigh L. Ward; John Arnold","Synthesis, structure and reactivity of group 4 corrole complexes","Chem.Commun.","2014","50","","2922","","10.1039/c4cc00037d","","","0.71073","MoKα","","0.0346","0.033","","","0.0999","0.1033","","","","","","0.501","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112065","12.6629","0.0009","14.2309","0.001","14.4202","0.0011","62.452","0.004","66.032","0.004","88.472","0.004","2063.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","crmpp0214","","","- C48 H45 Cl N4 O2 Zr -","- C48 H45 Cl N4 O2 Zr -","- C96 H90 Cl2 N8 O4 Zr2 -","2","1","","Rosa Padilla; Heather L. Buckley; Ashleigh L. Ward; John Arnold","Synthesis, structure and reactivity of group 4 corrole complexes","Chem.Commun.","2014","50","","2922","","10.1039/c4cc00037d","","","0.71073","MoKα","","0.0838","0.0583","","","0.1244","0.1354","","","","","","1.116","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112066","9.3737","0.0002","8.5684","0.0002","23.0087","0.0006","90","","90","","90","","1848","0.08","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N4 -","- C10 H10 N4 -","- C80 H80 N32 -","8","1","","Iain D. Roy; Alan R. Burns; Graham Pattison; Boris Michel; Alexandra J. Parker; Hon Wai Lam","A second-generation ligand for the enantioselective rhodium-catalyzed addition of arylboronic acids to alkenylazaarenes","Chem.Commun.","2014","50","","2865","","10.1039/c4cc00340c","","","0.71073","MoKα","","0.0513","0.0431","","","0.1105","0.1172","","","","","","1.048","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112067","10.8341","0.0004","5.9521","0.0002","28.9285","0.001","90","","95.44","0.003","90","","1857.07","0.11","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C92 H76 Cl4 N8 O4 -","4","2","","Iain D. Roy; Alan R. Burns; Graham Pattison; Boris Michel; Alexandra J. Parker; Hon Wai Lam","A second-generation ligand for the enantioselective rhodium-catalyzed addition of arylboronic acids to alkenylazaarenes","Chem.Commun.","2014","50","","2865","","10.1039/c4cc00340c","","","1.54184","CuKα","","0.0537","0.0423","","","0.1019","0.1109","","","","","","1.084","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112068","28.429","0.003","8.512","0.0007","15.7378","0.0013","90","","117.577","0.004","90","","3375.7","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N3 O5 -","- C18 H17 N3 O5 -","- C144 H136 N24 O40 -","8","1","","Matiur Rahman; Avik Kumar Bagdi; Subhajit Mishra; Alakananda Hajra","Functionalization of an sp^3^ C-H bond via a redox-neutral domino reaction: diastereoselective synthesis of hexahydropyrrolo[2,1-b]oxazoles","Chem.Commun.","2014","50","","2951","","10.1039/c4cc00454j","","","0.71073","MoKα","","0.1039","0.0951","","","0.2909","0.3089","","","","","","1.04","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112069","8.7492","0.0003","9.0043","0.0003","24.1842","0.0007","90","","98.9","0.003","90","","1882.3","0.11","110","0.1","110","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 F3 N2 O3 -","- C21 H19 F3 N2 O3 -","- C84 H76 F12 N8 O12 -","4","2","","Thomas J. Williams; Alan J. Reay; Adrian C. Whitwood; Ian J. S. Fairlamb","A mild and selective Pd-mediated methodology for the synthesis of highly fluorescent 2-arylated tryptophans and tryptophan-containing peptides: a catalytic role for Pd0 nanoparticles?","Chem.Commun.","2014","50","","3052","","10.1039/c3cc48481e","","","0.7107","MoKα","","0.0572","0.048","","","0.1077","0.1135","","","","","","1.064","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112070","21.0404","0.0011","21.0404","0.0011","10.4652","0.0007","90","","90","","120","","4012.2","0.4","110","0.1","110","0.1","","","","","","","","5","R 3","R 3","146","","","","- C20 H19 F N2 O3 -","- C20 H19 F N2 O3 -","- C180 H171 F9 N18 O27 -","9","","","Thomas J. Williams; Alan J. Reay; Adrian C. Whitwood; Ian J. S. Fairlamb","A mild and selective Pd-mediated methodology for the synthesis of highly fluorescent 2-arylated tryptophans and tryptophan-containing peptides: a catalytic role for Pd0 nanoparticles?","Chem.Commun.","2014","50","","3052","","10.1039/c3cc48481e","","","0.7107","MoKα","","0.0479","0.0424","","","0.0946","0.0995","","","","","","1.036","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112071","12.01","0.005","14.065","0.005","12.461","0.005","90","","113.96","0.02","90","","1923.5","1.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H33 N3 Pd -","- C19 H33 N3 Pd -","- C76 H132 N12 Pd4 -","4","1","","Fengrui Qu; Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Dioxygen activation by an organometallic Pd(II) precursor: formation of a Pd(IV)-OH complex and its C-O bond formation reactivity","Chem.Commun.","2014","50","","3036","","10.1039/c3cc49387c","","","0.71073","MoKα","","0.0299","0.026","","","0.0525","0.0542","","","","","","1.01","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112072","16.768","0.005","8.477","0.002","14.704","0.004","90","","90","","90","","2090.1","1","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H34 Cl N3 O5 Pd -","- C19 H34 Cl N3 O5 Pd -","- C76 H136 Cl4 N12 O20 Pd4 -","4","1","","Fengrui Qu; Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Dioxygen activation by an organometallic Pd(II) precursor: formation of a Pd(IV)-OH complex and its C-O bond formation reactivity","Chem.Commun.","2014","50","","3036","","10.1039/c3cc49387c","","","0.71073","MoKα","","0.0247","0.0215","","","0.0482","0.0498","","","","","","1.036","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112073","16.11","0.002","8.7912","0.0014","15.537","0.002","90","","90","","90","","2200.4","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H33 I2 N3 Pd -","- C19 H33 I2 N3 Pd -","- C76 H132 I8 N12 Pd4 -","4","1","","Fengrui Qu; Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Dioxygen activation by an organometallic Pd(II) precursor: formation of a Pd(IV)-OH complex and its C-O bond formation reactivity","Chem.Commun.","2014","50","","3036","","10.1039/c3cc49387c","","","0.71073","MoKα","","0.0218","0.0196","","","0.0385","0.0391","","","","","","1.062","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112074","16.5967","0.0007","8.378","0.0004","15.033","0.0006","90","","90","","90","","2090.3","0.16","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H33 Cl2 N3 O4 Pd -","- C19 H33 Cl2 N3 O4 Pd -","- C76 H132 Cl8 N12 O16 Pd4 -","4","1","","Fengrui Qu; Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Dioxygen activation by an organometallic Pd(II) precursor: formation of a Pd(IV)-OH complex and its C-O bond formation reactivity","Chem.Commun.","2014","50","","3036","","10.1039/c3cc49387c","","","0.71073","MoKα","","0.0307","0.0264","","","0.0597","0.0613","","","","","","1.043","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112075","10.1224","0.0006","14.9203","0.0009","21.5368","0.0012","90","","90.409","0.001","90","","3252.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 N3 O -","- C34 H51 N3 O -","- C136 H204 N12 O4 -","4","1","","Andreas A. Danopoulos; Pierre Braunstein","'Janus-type' organopotassium chemistry observed in deprotonation of mesoionic imidazolium aminides and amino N-heterocyclic carbenes: coordination and organometallic polymers","Chem.Commun.","2014","50","","3055","","10.1039/c3cc49517e","","","0.71073","MoKα","","0.1667","0.0647","","","0.1337","0.1694","","","","","","0.972","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112076","10.3078","0.0005","10.9366","0.0005","14.078","0.0007","74.936","0.001","78.745","0.001","74.217","0.001","1461.44","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H45 N3 -","- C31 H45 N3 -","- C62 H90 N6 -","2","1","","Andreas A. Danopoulos; Pierre Braunstein","'Janus-type' organopotassium chemistry observed in deprotonation of mesoionic imidazolium aminides and amino N-heterocyclic carbenes: coordination and organometallic polymers","Chem.Commun.","2014","50","","3055","","10.1039/c3cc49517e","","","0.71073","MoKα","","0.1059","0.0696","","","0.1801","0.2006","","","","","","1.068","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112077","23.271","0.005","10.689","0.005","22.097","0.005","90","","90","","90","","5496","3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C55 H84 K N3 O4 -","- C55 H84 K N3 O4 -","- C220 H336 K4 N12 O16 -","4","1","","Andreas A. Danopoulos; Pierre Braunstein","'Janus-type' organopotassium chemistry observed in deprotonation of mesoionic imidazolium aminides and amino N-heterocyclic carbenes: coordination and organometallic polymers","Chem.Commun.","2014","50","","3055","","10.1039/c3cc49517e","","","1.54178","CuKα","","0.0776","0.0658","","","0.1858","0.1975","","","","","","1.049","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112078","20.9918","0.0006","20.793","0.0005","23.169","0.0006","90","","90","","90","","10112.9","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C102 H152 K2 N6 O12 -","- C102 H152 K2 N6 O12 -","- C408 H608 K8 N24 O48 -","4","0.5","","Andreas A. Danopoulos; Pierre Braunstein","'Janus-type' organopotassium chemistry observed in deprotonation of mesoionic imidazolium aminides and amino N-heterocyclic carbenes: coordination and organometallic polymers","Chem.Commun.","2014","50","","3055","","10.1039/c3cc49517e","","","0.71073","MoKα","","0.1389","0.0709","","","0.1645","0.209","","","","","","1.022","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112079","15.3219","0.0005","14.8804","0.0004","21.081","0.0005","90","","126.43","0.002","90","","3867.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 K N3 O -","- C41 H56 K N3 O -","- C164 H224 K4 N12 O4 -","4","1","","Andreas A. Danopoulos; Pierre Braunstein","'Janus-type' organopotassium chemistry observed in deprotonation of mesoionic imidazolium aminides and amino N-heterocyclic carbenes: coordination and organometallic polymers","Chem.Commun.","2014","50","","3055","","10.1039/c3cc49517e","","","0.71073","MoKα","","0.1105","0.0721","","","0.1891","0.2155","","","","","","1.035","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112080","20.871","0.004","13.134","0.002","23.056","0.004","90","","100.135","0.004","90","","6221.5","1.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H46 K N3 -","- C33 H46 K N3 -","- C264 H368 K8 N24 -","8","1","","Andreas A. Danopoulos; Pierre Braunstein","'Janus-type' organopotassium chemistry observed in deprotonation of mesoionic imidazolium aminides and amino N-heterocyclic carbenes: coordination and organometallic polymers","Chem.Commun.","2014","50","","3055","","10.1039/c3cc49517e","","","0.71073","MoKα","","0.1378","0.0658","","","0.1445","0.1783","","","","","","1.008","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112081","10.7003","0.0003","15.9846","0.0005","32.2059","0.001","90","","104.187","0.002","90","","5340.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C101 H142 K3 N6 O4 -","- C101 H142 K3 N6 O4 -","- C202 H284 K6 N12 O8 -","2","0.5","","Andreas A. Danopoulos; Pierre Braunstein","'Janus-type' organopotassium chemistry observed in deprotonation of mesoionic imidazolium aminides and amino N-heterocyclic carbenes: coordination and organometallic polymers","Chem.Commun.","2014","50","","3055","","10.1039/c3cc49517e","","","1.54178","CuKα","","0.0904","0.0806","","","0.2093","0.2156","","","","","","1.048","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112082","16.5585","0.0003","19.2337","0.0003","18.1616","0.0004","90","","103.881","0.001","90","","5615.21","0.18","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H88 As Li N3 P2 -","- C47 H88 As Li N3 P2 -","- C188 H352 As4 Li4 N12 P8 -","4","1","","Lily S. H. Dixon; Lucy K. Allen; Robert J. Less; Dominic S. Wright","Direct access to [(Mes*P)2As]-, a 1,3-diphosphaarsa-2-allyl anion, isoelectronic with the allyl anion (Mes* = 2,4,6^-t^Bu3C6H2)","Chem.Commun.","2014","50","","3007","","10.1039/c3cc49627a","","","0.71073","MoKα","","0.114","0.0748","","","0.2213","0.2471","","","","","","1.03","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112083","13.217","0.001","14.553","0.002","16.489","0.002","90.751","0.003","91.46","0.003","115.777","0.003","2854.1","0.6","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H90 As Li O8 P2 -","- C52 H90 As Li O8 P2 -","- C104 H180 As2 Li2 O16 P4 -","2","1","","Lily S. H. Dixon; Lucy K. Allen; Robert J. Less; Dominic S. Wright","Direct access to [(Mes*P)2As]-, a 1,3-diphosphaarsa-2-allyl anion, isoelectronic with the allyl anion (Mes* = 2,4,6^-t^Bu3C6H2)","Chem.Commun.","2014","50","","3007","","10.1039/c3cc49627a","","","1.54184","CuKα","","0.1367","0.1252","","","0.2521","0.2585","","","","","","1.113","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112084","13.32","0.003","17.51","0.004","21.95","0.004","90","","90","","90","","5119.5","1.9","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16.67 H25.67 Ge N1.67 -","- C16.6667 H25.6667 Ge N1.66667 -","- C200 H308 Ge12 N20 -","12","3","","Yan Li; Kartik Chandra Mondal; Jens Lubben; Hongping Zhu; Birger Dittrich; Indu Purushothaman; Pattiyil Parameswaran; Herbert W. Roesky","A functionalized Ge3-compound with a dual character of the central germanium atom","Chem.Commun.","2014","50","","2986","","10.1039/c3cc49635j","","","0.6199","","","0.0412","0.0406","","","0.1079","0.1084","","","","","","1.052","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112085","18.0827","0.0004","19.303","0.0004","20.4018","0.0015","86.237","0.006","73.705","0.005","71.906","0.005","6495.4","0.6","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C101 H58 B Cl F60 N14 O22 Zn -","- C101 H58 B Cl F60 N14 O22 Zn -","- C202 H116 B2 Cl2 F120 N28 O44 Zn2 -","2","1","","Norio Shibata; Satoru Mori; Masamichi Hayashi; Masashi Umeda; Etsuko Tokunaga; Motoo Shiro; Hiroyasu Sato; Tomonori Hoshi; Nagao Kobayashi","A phthalocyanine-subphthalocyanine heterodinuclear dimer: comparison of spectroscopic properties with those of homodinuclear dimers of constituting units","Chem.Commun.","2014","50","","3040","","10.1039/c3cc49831j","","","1.54187","CuKα","","","0.1208","","","","0.387","","","","","","1.519","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112086","15.388","0.006","6.68","0.003","22.363","0.009","90","","93.69","0.03","90","","2294","1.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N O4 -","- C29 H27 N O4 -","- C116 H108 N4 O16 -","4","1","","Meng Li; Yingli Niu; Xiaozhang Zhu; Qian Peng; Hai-Yan Lu; Andong Xia; Chuan-Feng Chen","Tetrahydro[5]helicene-based imide dyes with intense fluorescence in both solution and solid state","Chem.Commun.","2014","50","","2993","","10.1039/c3cc49680e","","","0.71073","MoKα","","0.0753","0.0702","","","0.1671","0.171","","","","","","1.169","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112087","13.913","0.002","17.521","0.002","16.0443","0.0017","90","","96.463","0.004","90","","3886.3","0.8","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 B2 Br2 Cl2 F2 Fe N6 O6 -","- C31 H22 B2 Br2 Cl2 F2 Fe N6 O6 -","- C124 H88 B8 Br8 Cl8 F8 Fe4 N24 O24 -","4","1","","O. A. Varzatskii; V. V. Novikov; S. V. Shulga; A. S. Belov; A. V. Vologzhanina; V. V. Negrutska; I. Y. Dubey; Yu. N. Bubnov; Ya. Z. Voloshin","Copper-promoted reductive homocoupling of quasi-aromatic iron(II) clathrochelates: boosting the inhibitory activity in a transcription assay","Chem. Commun.","2014","50","","3166","","10.1039/c3cc47018k","","","0.71073","MoKα","","0.078","0.0669","","","0.1822","0.1952","","","","","","1.005","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112088","28.3891","0.0012","28.3891","0.0012","18.8932","0.0017","90","","90","","90","","15226.8","1.6","100","2","100","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C78 H58 B4 Br2 F4 Fe2 N12 O12 -","- C78 H58 B4 Br2 F4 Fe2 N12 O12 -","- C624 H464 B32 Br16 F32 Fe16 N96 O96 -","8","0.5","","O. A. Varzatskii; V. V. Novikov; S. V. Shulga; A. S. Belov; A. V. Vologzhanina; V. V. Negrutska; I. Y. Dubey; Yu. N. Bubnov; Ya. Z. Voloshin","Copper-promoted reductive homocoupling of quasi-aromatic iron(II) clathrochelates: boosting the inhibitory activity in a transcription assay","Chem. Commun.","2014","50","","3166","","10.1039/c3cc47018k","","","0.71073","MoKα","","0.115","0.0481","","","0.0887","0.103","","","","","","1.005","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112089","12.04","0.007","19.399","0.012","23.44","0.02","107.911","0.013","96.646","0.013","105.862","0.009","4890","6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H90 B4 F4 Fe2 N14 O12 -","- C100 H90 B4 F4 Fe2 N14 O12 -","- C200 H180 B8 F8 Fe4 N28 O24 -","2","1","","O. A. Varzatskii; V. V. Novikov; S. V. Shulga; A. S. Belov; A. V. Vologzhanina; V. V. Negrutska; I. Y. Dubey; Yu. N. Bubnov; Ya. Z. Voloshin","Copper-promoted reductive homocoupling of quasi-aromatic iron(II) clathrochelates: boosting the inhibitory activity in a transcription assay","Chem. Commun.","2014","50","","3166","","10.1039/c3cc47018k","","","0.71073","MoKα","","0.2956","0.1184","","","0.2462","0.2886","","","","","","1.022","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112090","15.6667","0.0002","15.4415","0.0002","17.7248","0.0002","90","","107.715","0.001","90","","4084.61","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H38 N4 P2 S2 -","- C47 H38 N4 P2 S2 -","- C188 H152 N16 P8 S8 -","4","1","","Ryan J. Roberts; Nicolas Belanger-Desmarais; Christian Reber; Daniel B. Leznoff","The luminescence properties of linear vs. kinked aurophilic 1-D chains of bis(dithiocarbamato)gold(I) dimers","Chem.Commun.","2014","50","","3148","","10.1039/c3cc47944g","","","0.71073","MoKα","","0.0506","0.0394","","0.0554","0.0383","0.038","","","","","","1.1107","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7112091","9.8919","0.0001","10.6931","0.0002","12.7711","0.0001","81.143","0.001","77.83","","74.36","","1264.82","0.03","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Au2 N6 S4 -","- C22 H16 Au2 N6 S4 -","- C44 H32 Au4 N12 S8 -","2","1","","Ryan J. Roberts; Nicolas Belanger-Desmarais; Christian Reber; Daniel B. Leznoff","The luminescence properties of linear vs. kinked aurophilic 1-D chains of bis(dithiocarbamato)gold(I) dimers","Chem.Commun.","2014","50","","3148","","10.1039/c3cc47944g","","","0.71073","MoKα","","0.039","0.0262","","0.037","0.0223","0.022","","","","","","1.1245","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112092","10.905","0.002","12.399","0.003","11.809","0.002","79.53","0.03","74.15","0.03","89.19","0.03","1509.4","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 N4 O13 Zn2 -","- C30 H20 N4 O13 Zn2 -","- C60 H40 N8 O26 Zn4 -","2","1","","Dong Liu; Hui-Fang Wang; Brendan F. Abrahams; Jian-Ping Lang","Single-crystal-to-single-crystal transformation of a two-dimensional coordination polymer through highly selective [2+2] photodimerization of a conjugated dialkene","Chem.Commun.","2014","50","","3173","","10.1039/c3cc49749f","","","0.71073","MoKα","","0.0372","0.033","","","0.0999","0.1036","","","","","","1.045","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112093","11.092","0.002","11.997","0.002","12.063","0.002","78.43","0.03","73.91","0.03","89.64","0.03","1508.9","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 N4 O13 Zn2 -","- C30 H20 N4 O13 Zn2 -","- C60 H40 N8 O26 Zn4 -","2","1","","Dong Liu; Hui-Fang Wang; Brendan F. Abrahams; Jian-Ping Lang","Single-crystal-to-single-crystal transformation of a two-dimensional coordination polymer through highly selective [2+2] photodimerization of a conjugated dialkene","Chem.Commun.","2014","50","","3173","","10.1039/c3cc49749f","","","0.71073","MoKα","","0.1101","0.0715","","","0.1378","0.1537","","","","","","1.117","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112094","14.1122","0.0015","10.9377","0.0011","16.8822","0.0017","90","","98.912","0.001","90","","2574.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Br O4 -","- C29 H25 Br O4 -","- C116 H100 Br4 O16 -","4","1","","Hao Zhang; Qiong Hu; Lidong Li; Yimin Hu; Pingping Zhou; Xiaorong Zhang; Haifeng Xie; Fei Yin; Yadong Hu; Shaowu Wang","Convenient one-step construction of yne-functionalized aryl halides through domino cyclization from tetraynes","Chem.Commun.","2014","50","","3335","","10.1039/c3cc47707j","","","0.71073","MoKα","","0.0935","0.0454","","","0.1216","0.1465","","","","","","1.012","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112095","9.493","0.0012","32.264","0.004","7.8878","0.001","90","","90.902","0.002","90","","2415.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cl O4 -","- C29 H25 Cl O4 -","- C116 H100 Cl4 O16 -","4","1","","Hao Zhang; Qiong Hu; Lidong Li; Yimin Hu; Pingping Zhou; Xiaorong Zhang; Haifeng Xie; Fei Yin; Yadong Hu; Shaowu Wang","Convenient one-step construction of yne-functionalized aryl halides through domino cyclization from tetraynes","Chem.Commun.","2014","50","","3335","","10.1039/c3cc47707j","","","0.71073","MoKα","","0.0695","0.0497","","","0.1378","0.1519","","","","","","1.041","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112096","12.1117","0.0009","15.15","0.0012","31.225","0.002","90","","90","","90","","5729.5","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H33 Cl O4 -","- C33 H33 Cl O4 -","- C264 H264 Cl8 O32 -","8","1","","Hao Zhang; Qiong Hu; Lidong Li; Yimin Hu; Pingping Zhou; Xiaorong Zhang; Haifeng Xie; Fei Yin; Yadong Hu; Shaowu Wang","Convenient one-step construction of yne-functionalized aryl halides through domino cyclization from tetraynes","Chem.Commun.","2014","50","","3335","","10.1039/c3cc47707j","","","0.71073","MoKα","","0.0895","0.0556","","","0.1541","0.1801","","","","","","1.036","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112097","22.038","0.002","14.0363","0.0013","25.925","0.003","90","","112.384","0.002","90","","7415.2","1.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C62 H64 F24 N18 P4 Ru2 -","- C62 H64 F24 N18 P4 Ru2 -","- C248 H256 F96 N72 P16 Ru8 -","4","1","","Amlan K. Pal; Philippe D. Ducharme; Garry S. Hanan","Enhanced stereoselectivity in a di-Ru(II) complex of an achiral bis-bidentate ligand","Chem.Commun.","2014","50","","3303","","10.1039/c3cc47856d","","","1.54178","CuKα","","0.0384","0.0382","","","0.1008","0.1011","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112098","8.0842","0.0009","12.2092","0.0013","12.7761","0.0014","73.117","0.001","73.449","0.002","79.959","0.002","1150.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N5 O5 -","- C23 H19 N5 O5 -","- C46 H38 N10 O10 -","2","1","","Jinhu Wei; Wenbo Xiao; Cong-Ying Zhou; Chi-Ming Che","Ruthenium porphyrin catalyzed diimination of indoles with aryl azides as the nitrene source","Chem.Commun.","2014","50","","3373","","10.1039/c3cc49052a","","","0.71073","MoKα","","0.0767","0.0579","","","0.1738","0.1956","","","","","","1.022","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112099","7.149","0.002","4.8716","0.0016","14.555","0.005","90","","98.578","0.006","90","","501.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N2 -","- C14 H8 N2 -","- C28 H16 N4 -","2","0.5","","Li Qiu; Xuhui Zhuang; Na Zhao; Xiao Wang; Zengjian An; Zhenggang Lan; Xiaobo Wan","Benzo[f]benzo[5,6]indolo[3,2-b]indole: a stable unsubstituted 4npi-electron acene with an antiaromatic 1,4-diazapentalene core","Chem.Commun.","2014","50","","3324","","10.1039/c3cc49418g","","","0.71073","MoKα","","0.0856","0.0618","","","0.1603","0.1786","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112100","36.229","0.015","36.229","0.015","36.229","0.015","90","","90","","90","","47552","3","100","2","100","2","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C84 H108 Cl Mn6 N6 Na O24 -","- C84 H108 Cl1.0002 Mn6 N6 Na O24 -","- C1344 H1728 Cl16.0032 Mn96 N96 Na16 O384 -","16","0.166667","","Brechin, Euan K.; Sanz, Sergio; Frost, Jamie M.; Lusby, Paul J.; Piligkos, Stergios; Pitak, Mateusz B.; Coles, Simon J.","'Converting' an hexametallic MnIII wheel to a dodecametallic MnIII wheel via ligand oximation","Chem.Commun.","2014","50","","3310","","10.1039/c3cc49583c","","","0.6889","synchrotron","","0.1499","0.1311","","","0.3372","0.3523","","","","","","1.226","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112101","18.454","0.006","37.41","0.011","20.409","0.007","90","","114.966","0.004","90","","12773","7","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H148 Mn12 N8 O40 -","- C80 H148 Mn12 N8 O40 -","- C320 H592 Mn48 N32 O160 -","4","1","","Brechin, Euan K.; Sanz, Sergio; Frost, Jamie M.; Lusby, Paul J.; Piligkos, Stergios; Pitak, Mateusz B.; Coles, Simon J.","'Converting' an hexametallic MnIII wheel to a dodecametallic MnIII wheel via ligand oximation","Chem.Commun.","2014","50","","3310","","10.1039/c3cc49583c","","","0.71075","MoKα","","0.1285","0.0685","","","0.1637","0.1988","","","","","","1.009","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112102","12.692","0.002","12.839","0.002","15.409","0.003","98.61","0.02","102.61","0.02","113.07","0.03","2175.6","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H112 Cl4 Ge4 N8 -","- C93 H112 Cl4 Ge4 N8 -","- C93 H112 Cl4 Ge4 N8 -","1","0.5","","Yan Li; Kartik Chandra Mondal; Peter Stollberg; Hongping Zhu; Herbert W. Roesky; Regine Herbst-Irmer; Dietmar Stalke; Heike Fliegl","Unusual formation of a N-heterocyclic germylene via homolytic cleavage of a C-C bond","Chem.Commun.","2014","50","","3356","","10.1039/c4cc00251b","","","0.56086","AgKα","","0.0323","0.0258","","","0.0608","0.0639","","","","","","1.051","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112103","24.693","0.003","10.903","0.002","27.84","0.003","90","","114.96","0.02","90","","6795","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Ge N2 -","- C18 H22 Ge N2 -","- C288 H352 Ge16 N32 -","16","2","","Yan Li; Kartik Chandra Mondal; Peter Stollberg; Hongping Zhu; Herbert W. Roesky; Regine Herbst-Irmer; Dietmar Stalke; Heike Fliegl","Unusual formation of a N-heterocyclic germylene via homolytic cleavage of a C-C bond","Chem.Commun.","2014","50","","3356","","10.1039/c4cc00251b","","","0.56086","AgKα","","0.0442","0.0343","","","0.0772","0.0809","","","","","","1.042","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112104","14.149","0.002","17.56","0.002","17.357","0.003","90","","94.21","0.03","90","","4300.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 Cl6 N4 Si2 -","- C43 H52 Cl6 N4 Si2 -","- C172 H208 Cl24 N16 Si8 -","4","1","","Yan Li; Kartik Chandra Mondal; Peter Stollberg; Hongping Zhu; Herbert W. Roesky; Regine Herbst-Irmer; Dietmar Stalke; Heike Fliegl","Unusual formation of a N-heterocyclic germylene via homolytic cleavage of a C-C bond","Chem.Commun.","2014","50","","3356","","10.1039/c4cc00251b","","","0.71073","MoKα","","0.0529","0.034","","","0.0716","0.0787","","","","","","1.033","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112105","9.984","0.002","13.987","0.002","14.11","0.002","90","","90","","90","","1970.4","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl3 N2 Si -","- C18 H23 Cl3 N2 Si -","- C72 H92 Cl12 N8 Si4 -","4","1","","Yan Li; Kartik Chandra Mondal; Peter Stollberg; Hongping Zhu; Herbert W. Roesky; Regine Herbst-Irmer; Dietmar Stalke; Heike Fliegl","Unusual formation of a N-heterocyclic germylene via homolytic cleavage of a C-C bond","Chem.Commun.","2014","50","","3356","","10.1039/c4cc00251b","","","0.71073","MoKα","","0.0334","0.0322","","","0.0856","0.0864","","","","","","1.08","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112106","5.975","0.0002","11.69","0.0003","23.785","0.0005","90","","90","","90","","1661.33","0.08","200","","","","","","","","","","Laboratory at AlderleyPark Ba 001 isomer 2, crystallised from diethyl ether by evaporation","5","P 21 21 21","P 2ac 2ab","19","AZ12576722, AZ SBBG: 2006-10-306","(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one","","- C18 H18 Br N O2 -","- C18 H18 Br N O2 -","- C72 H72 Br4 N4 O8 -","4","1","","McCoull, William; Augustin, Martin; Blake, Caroline; Ertan, Anne; Kilgour, Elaine; Krapp, Stephan; Moore, Jane E.; Newcombe, Nicholas J.; Packer, Martin J.; Rees, Amanda; Revill, John; Scott, James S.; Selmi, Nidhal; Gerhardt, Stefan; Ogg, Derek J.; Steinbacher, Stefan; Whittamore, Paul R. O.","Identification and optimisation of 3,3-dimethyl-azetidin-2-ones as potent and selective inhibitors of 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1)","MedChemComm","2014","5","1","57","","10.1039/c3md00234a","","","0.71073","MoKα","","0.0549","0.037","","","0.0883","0.0941","","","","","","1.054","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112107","28.836","0.0005","19.584","0.0005","32.801","0.0005","90","0.005","113.657","0.0011","90","0.005","16966.9","0.6","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","Compound X","","","- C84.5 H145.5 Fe9 N48 O36.5 W6 -","- C84.5 H90 Fe9 N48 O36.5 W6 -","- C338 H360 Fe36 N192 O146 W24 -","4","0.5","","Szymon Chorazy; Robert Podgajny; Wojciech Nogas; Wojciech Nitek; Marcin Koziel; Michal Rams; Ewa Juszynska-Galazka; Jan Zukrowski; Czeslaw Kapusta; Koji Nakabayashi; Takashi Fujimoto; Shin-ichi Ohkoshi; Barbara Sieklucka","Charge transfer phase transition with reversed thermal hysteresis loop in the mixed-valence Fe9[W(CN)8]6.xMeOH cluster","Chem.Commun.","2014","50","","3484","","10.1039/C3CC48029A","","x-ray","0.71073","MoKα","","0.0768","0.0486","","","0.1204","0.1343","","","","","","1.042","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112108","28.348","0.0004","19.077","0.0003","32.345","0.0005","90","","113.657","0.001","90","","16022","0.4","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound X","","","- C90 H168 Fe9 N48 O42 W6 -","- C90 H111 Fe9 N48 O42 W6 -","- C360 H444 Fe36 N192 O168 W24 -","4","0.5","","Szymon Chorazy; Robert Podgajny; Wojciech Nogas; Wojciech Nitek; Marcin Koziel; Michal Rams; Ewa Juszynska-Galazka; Jan Zukrowski; Czeslaw Kapusta; Koji Nakabayashi; Takashi Fujimoto; Shin-ichi Ohkoshi; Barbara Sieklucka","Charge transfer phase transition with reversed thermal hysteresis loop in the mixed-valence Fe9[W(CN)8]6.xMeOH cluster","Chem.Commun.","2014","50","","3484","","10.1039/C3CC48029A","","","0.71073","MoKα","","0.0741","0.0569","","","0.1562","0.1747","","","","307.679","307.679","1.044","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112109","22.3369","0.0013","22.3369","0.0013","24.2189","0.0018","90","","90","","120","","10464.8","1.2","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C51 H115 B2 Cu8 F8 N6 O18 -","- C51 H114.96 B2.01 Cu8 F8.04 N6 O18 -","- C306 H689.76 B12.06 Cu48 F48.24 N36 O108 -","6","0.166667","","Dmytro S. Nesterov; Julia Jezierska; Oksana V. Nesterova; Armando J. L. Pombeiro; Andrew Ozarowski","An unprecedented octanuclear copper core with C3i symmetry and a paramagnetic ground state","Chem.Commun.","2014","50","","3431","","10.1039/c3cc48107g","","","0.71073","MoKα","","0.1225","0.0743","","","0.1641","0.1816","","","","","","1.138","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112110","18.598","0.003","18.598","0.003","31.814","0.006","90","","90","","90","","11004","3","180","2","180","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C170 H143 Ce4 N29 O30 -","- C170.02 H127 Ce4 N29 O30.08 -","- C340.04 H254 Ce8 N58 O60.16 -","2","0.25","","Liang Zhao; Yulu Chu; Cheng He; Chunying Duan","Fluorescent detection of RDX within DHPA-containing metal-organic polyhedra","Chem.Commun.","2014","50","","3467","","10.1039/C3CC49355E","","","0.71073","MoKα","","0.1269","0.071","","","0.2276","0.2566","","","","","","0.981","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112111","6.949","0.002","24.489","0.009","10.96","0.004","90","","103.085","0.007","90","","1816.7","1.1","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N5 O4 S -","- C17 H17 N5 O4 S -","- C68 H68 N20 O16 S4 -","4","2","","Daisuke Uraguchi; Shinji Nakamura; Hitoshi Sasaki; Yuki Konakade; Takashi Ooi","Enantioselective formal alpha-allylation of nitroalkanes through a chiral iminophosphorane-catalyzed Michael reaction-Julia-Kocienski olefination sequence","Chem.Commun.","2014","50","","3491","","10.1039/C3CC49477B","","","0.71075","MoKα","","0.0456","0.0378","","","0.0871","0.0904","","","","","","1.008","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112112","50.71","0.007","50.71","0.007","62.92","0.013","90","","90","","120","","140122","4","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C54 H30 N4 O17 Zn4 -","- C54 H30 N4 O17 Zn4 -","- C972 H540 N72 O306 Zn72 -","18","1.5","","Ronny Grunker; Volodymyr Bon; Philipp Muller; Ulrich Stoeck; Simon Krause; Uwe Mueller; Irena Senkovska; Stefan Kaskel","A new metal-organic framework with ultra-high surface area","Chem.Commun.","2014","50","","3450","","10.1039/c4cc00113c","","x-ray","0.88561","synchrotron","","0.124","0.0691","","","0.1805","0.1994","","","","","","0.738","","","","has coordinates","255443","2020-10-21","18:00:00",""
"7112113","22.1594","0.0005","22.1594","0.0005","27.102","0.0007","90","","90","","120","","11525.2","0.5","120","2","120","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C73 H115 Cu3 N3 O40 Y6 -","- C73 H115 Cu3 N3 O40 Y6 -","- C292 H460 Cu12 N12 O160 Y24 -","4","0.333333","","Thomas N. Hooper; Ross Inglis; Maria A. Palacios; Gary S. Nichol; Mateusz B. Pitak; Simon J. Coles; Giulia Lorusso; Marco Evangelisti; Euan K. Brechin","CO2 as a reaction ingredient for the construction of metal cages: a carbonate-panelled [Gd6Cu3] tridiminished icosahedron","Chem.Commun.","2014","50","","3498","","10.1039/c4cc00141a","","","0.71073","MoKα","","0.0865","0.0615","","","0.1676","0.1826","","","","","","1.032","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7112114","22.2578","0.0015","22.2578","0.0015","26.9738","0.0018","90","","90","","120","","11572.8","1.3","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C73 H111 Cu3 Gd6 N3 O40 -","- C73 H111 Cu3 Gd6 N3 O40 -","- C292 H444 Cu12 Gd24 N12 O160 -","4","0.333333","","Thomas N. Hooper; Ross Inglis; Maria A. Palacios; Gary S. Nichol; Mateusz B. Pitak; Simon J. Coles; Giulia Lorusso; Marco Evangelisti; Euan K. Brechin","CO2 as a reaction ingredient for the construction of metal cages: a carbonate-panelled [Gd6Cu3] tridiminished icosahedron","Chem.Commun.","2014","50","","3498","","10.1039/c4cc00141a","","","0.71075","MoKα","","0.0339","0.0329","","","0.0901","0.091","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7112115","10.1537","0.0008","10.8288","0.0008","16.3322","0.0013","95.387","0.003","107.295","0.003","94.714","0.003","1695.5","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Ce F15 N3 Si3 -","- C27 H27 Ce F15 N3 Si3 -","- C54 H54 Ce2 F30 N6 Si6 -","2","1","","Haolin Yin; Jerome R. Robinson; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","k^2^-Coordination of 18-crown-6 to Ce(III) cations: solution dynamics and reactivity","Chem.Commun.","2014","50","","3470","","10.1039/C4CC00448E3","","","0.71073","MoKα","","0.0325","0.029","","","0.0742","0.0752","","","","","","1.126","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112116","28.709","0.003","15.5294","0.0018","23.281","0.003","90","","111.149","0.005","90","","9680","2","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H51 Ce F15 N3 O6 Si3 -","- C39 H51 Ce F15 N3 O6 Si3 -","- C312 H408 Ce8 F120 N24 O48 Si24 -","8","1","","Haolin Yin; Jerome R. Robinson; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","k^2^-Coordination of 18-crown-6 to Ce(III) cations: solution dynamics and reactivity","Chem.Commun.","2014","50","","3470","","10.1039/C4CC00448E3","","","0.71073","MoKα","","0.0299","0.0255","","","0.0666","0.0739","","","","","","1.19","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112117","12.193","0.0016","18.164","0.003","40.779","0.006","90","","95.641","0.006","90","","8988","2","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H86 Ce2 F30 N6 O7 Si6 -","- C70 H86 Ce2 F30 N6 O7 Si6 -","- C280 H344 Ce8 F120 N24 O28 Si24 -","4","1","","Haolin Yin; Jerome R. Robinson; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","k^2^-Coordination of 18-crown-6 to Ce(III) cations: solution dynamics and reactivity","Chem.Commun.","2014","50","","3470","","10.1039/C4CC00448E3","","","0.71073","MoKα","","0.0448","0.041","","","0.0891","0.0904","","","","","","1.181","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112118","30.08","0.003","13.5848","0.0012","26.176","0.002","90","","105.338","0.005","90","","10315.3","1.6","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H51 Ce F15 N5 Si3 -","- C45 H51 Ce F15 N5 Si3 -","- C360 H408 Ce8 F120 N40 Si24 -","8","1","","Haolin Yin; Jerome R. Robinson; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","k^2^-Coordination of 18-crown-6 to Ce(III) cations: solution dynamics and reactivity","Chem.Commun.","2014","50","","3470","","10.1039/C4CC00448E3","","","0.71073","MoKα","","0.1135","0.0867","","","0.2147","0.2302","","","","","","0.971","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112119","9.7741","0.0006","22.338","0.0012","8.2804","0.0005","90","","107.812","0.003","90","","1721.23","0.18","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 F5 K N O Si -","- C13 H19 F5 K N O Si -","- C52 H76 F20 K4 N4 O4 Si4 -","4","1","","Haolin Yin; Jerome R. Robinson; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","k^2^-Coordination of 18-crown-6 to Ce(III) cations: solution dynamics and reactivity","Chem.Commun.","2014","50","","3470","","10.1039/C4CC00448E3","","","0.71073","MoKα","","0.0417","0.039","","","0.1301","0.1334","","","","","","0.851","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112120","13.2973","0.0002","23.3659","0.0003","14.0359","0.0002","90","","103.471","0.001","90","","4241.02","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H38 Cl3 N6 Rh -","- C49 H36 Cl N6 Rh -","- C196 H144 Cl4 N24 Rh4 -","4","1","","Juan Olguin; Helge Muller-Bunz; Martin Albrecht","Springloaded porphyrin NHC hybrid rhodium(III) complexes: carbene dissociation and oxidation catalysis","Chem.Commun.","2014","50","","3488","","10.1039/C4CC00497C3","","","0.71073","MoKα","","0.0436","0.0377","","","0.1002","0.1036","","","","","","1.073","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112121","9.6618","0.0001","17.3989","0.0002","25.1987","0.0003","90","","90","","90","","4236.02","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48.75 H35.5 Cl2.5 N6 Rh -","- C48.753 H35.506 Cl2.506 N6 Rh -","- C195.012 H142.024 Cl10.024 N24 Rh4 -","4","1","","Juan Olguin; Helge Muller-Bunz; Martin Albrecht","Springloaded porphyrin NHC hybrid rhodium(III) complexes: carbene dissociation and oxidation catalysis","Chem.Commun.","2014","50","","3488","","10.1039/C4CC00497C3","","","0.71073","MoKα","","0.0363","0.0323","","","0.0801","0.0829","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112122","15.1167","0.0002","19.9147","0.0002","17.2364","0.0002","90","","90.679","0.001","90","","5188.56","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55.25 H45.25 Cl4.75 N8 Rh -","- C54 H44 Cl N8 Rh -","- C216 H176 Cl4 N32 Rh4 -","4","1","","Juan Olguin; Helge Muller-Bunz; Martin Albrecht","Springloaded porphyrin NHC hybrid rhodium(III) complexes: carbene dissociation and oxidation catalysis","Chem.Commun.","2014","50","","3488","","10.1039/C4CC00497C3","","","0.71073","MoKα","","0.0461","0.038","","","0.1032","0.1086","","","","","","1.069","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7112123","7.16287","0.00015","14.4364","0.0002","20.3056","0.0004","90","","96.7873","0.0018","90","","2085.01","0.07","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 B F4 N O5 -","- C23 H18 B F4 N O5 -","- C92 H72 B4 F16 N4 O20 -","4","1","","Alicia Beltran; M. Isabel Burguete; Daniel R. Abanades; Dolores Perez-Sala; Santiago V. Luis; Francisco Galindo","Turn-on fluorescent probes for nitric oxide sensing based on the ortho-hydroxyamino structure showing no interference with dehydroascorbic acid","Chem.Commun.","2014","50","","3579","","10.1039/C3CC49555H","","","1.5418","CuKα","","0.0648","0.0528","","","0.136","0.1429","","","","","","1.054","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112124","7.4219","0.0015","9.3714","0.0019","13.52","0.003","109.06","0.03","94.1","0.03","108.6","0.03","826","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Cl2 N O3 -","- C18 H13 Cl2 N O3 -","- C36 H26 Cl4 N2 O6 -","2","1","","Jia Zheng; Min Zhang; Liangbin Huang; Xiaohan Hu; Wanqing Wu; Huawen Huang; Huangfeng Jiang","Regioselective synthesis of oxazole derivatives via palladium-catalyzed and copper-mediated cascade oxidative cyclization","Chem.Commun.","2014","50","","3609","","10.1039/C3CC49788G","","","0.71073","MoKα","","0.0421","0.0378","","","0.115","0.121","","","","","","1.122","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112125","26.8486","0.0006","9.8558","0.0002","17.0824","0.0004","90","","107.816","0.002","90","","4303.48","0.17","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 B5 N2 O15.5 Zn4 -","- C6 H24 B5 N2 O15.5 Zn4 -","- C48 H192 B40 N16 O124 Zn32 -","8","1","","Pei Zhao; Zhi-En Lin; Qi Wei; Lin Cheng; Guo-Yu Yang","A pillared-layered zincoborate with an anionic network containing unprecedented zinc oxide chains","Chem.Commun.","2014","50","","3592","","10.1039/C4CC00006D","","","1.54178","CuKα","","0.0749","0.074","","","0.229","0.2295","","","","","","1.22","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112127","11.0416","0.0009","11.4113","0.001","14.0227","0.0012","69.952","0.001","68.476","0.001","77.026","0.001","1534.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(salicylato)dioxotetrabismuth acetonitrile solvate","","- C60 H46 Bi4 N2 O26 -","- C60 H46 Bi4 N2 O26 -","- C60 H46 Bi4 N2 O26 -","1","0.5","","Tyler D. Boyd; Ish Kumar; Eric E. Wagner; Kenton H. Whitmire","Synthesis and structural studies of the simplest bismuth(III) oxo-salicylate complex: [Bi4(mu3-O)2(HO-2-C6H4CO2)8].2Solv (Solv = MeCN or MeNO2)","Chem.Commun.","2014","50","","3556","","10.1039/C4CC00056K","","","0.71073","MoKα","","0.0371","0.0256","","","0.0541","0.0573","","","","","","1.221","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112128","10.9483","0.0011","11.5086","0.0011","13.9101","0.0014","68.724","0.001","68.396","0.001","76.558","0.002","1508.6","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(salicylato)dioxotetrabismuthnitromethane solvate","","- C58 H46 Bi4 N2 O30 -","- C58 H46 Bi4 N2 O30 -","- C58 H46 Bi4 N2 O30 -","1","0.5","","Tyler D. Boyd; Ish Kumar; Eric E. Wagner; Kenton H. Whitmire","Synthesis and structural studies of the simplest bismuth(III) oxo-salicylate complex: [Bi4(mu3-O)2(HO-2-C6H4CO2)8].2Solv (Solv = MeCN or MeNO2)","Chem.Commun.","2014","50","","3556","","10.1039/C4CC00056K","","","0.71073","MoKα","","0.0385","0.03","","","0.0734","0.0778","","","","","","0.981","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112129","19.799","0.002","9.647","0.001","11.2675","0.0011","90","","113.439","0.002","90","","1974.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Ag Cl N4 O6 -","- C18 H18 Ag Cl N4 O6 -","- C72 H72 Ag4 Cl4 N16 O24 -","4","0.5","","Mousumi Garai; Kumar Biradha","Coordination polymers of organic polymers synthesized via photopolymerization of single crystals: two-dimensional hydrogen bonding layers with amazing shock absorbing nature","Chem.Commun.","2014","50","","3568","","10.1039/C4CC00625A","","","0.71073","MoKα","","0.0749","0.0637","","","0.2424","0.2558","","","","","","2.029","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112130","20.6773","0.0015","9.6611","0.0007","30.357","0.002","90","","107.503","0.002","90","","5783.5","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H54 Ag3 Cl3 N12 O18 -","- C54 H54 Ag3 Cl3 N12 O18 -","- C216 H216 Ag12 Cl12 N48 O72 -","4","0.5","","Mousumi Garai; Kumar Biradha","Coordination polymers of organic polymers synthesized via photopolymerization of single crystals: two-dimensional hydrogen bonding layers with amazing shock absorbing nature","Chem.Commun.","2014","50","","3568","","10.1039/C4CC00625A","","","0.71073","MoKα","","0.0931","0.0605","","","0.1649","0.1776","","","","","","1.161","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112131","20.838","0.004","9.7573","0.0016","12.759","0.003","90","","121.463","0.008","90","","2212.8","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Ag Cl N4 O6 -","- C20 H22 Ag Cl N4 O6.02 -","- C80 H88 Ag4 Cl4 N16 O24.08 -","4","0.5","","Mousumi Garai; Kumar Biradha","Coordination polymers of organic polymers synthesized via photopolymerization of single crystals: two-dimensional hydrogen bonding layers with amazing shock absorbing nature","Chem.Commun.","2014","50","","3568","","10.1039/C4CC00625A","","","0.71073","MoKα","","0.0422","0.0386","","","0.0914","0.092","","","","","","4.072","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112132","19.871","0.002","9.8406","0.001","23.807","0.002","90","","110.762","0.003","90","","4353","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H22 Ag Cl N4 O6 -","- C20 H22 Ag Cl N4 O6 -","- C160 H176 Ag8 Cl8 N32 O48 -","8","2","","Mousumi Garai; Kumar Biradha","Coordination polymers of organic polymers synthesized via photopolymerization of single crystals: two-dimensional hydrogen bonding layers with amazing shock absorbing nature","Chem.Commun.","2014","50","","3568","","10.1039/C4CC00625A","","","0.71073","MoKα","","0.1521","0.0708","","","0.1648","0.2057","","","","","","1.069","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112133","10.839","0.005","11.156","0.005","17.108","0.007","76.789","0.013","80.643","0.013","69.187","0.012","1875","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Ag N5 O5 -","- C18 H18 Ag N5 O5 -","- C72 H72 Ag4 N20 O20 -","4","2","","Mousumi Garai; Kumar Biradha","Coordination polymers of organic polymers synthesized via photopolymerization of single crystals: two-dimensional hydrogen bonding layers with amazing shock absorbing nature","Chem.Commun.","2014","50","","3568","","10.1039/C4CC00625A","","","0.71073","MoKα","","0.1474","0.0791","","","0.1693","0.1889","","","","","","1.14","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112134","9.458","0.008","10.001","0.008","11.102","0.009","75.79","0.02","65.02","0.02","89.24","0.03","917.9","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 Ag2 N10 O10 -","- C36 H36 Ag2 N10 O10 -","- C36 H36 Ag2 N10 O10 -","1","0.5","","Mousumi Garai; Kumar Biradha","Coordination polymers of organic polymers synthesized via photopolymerization of single crystals: two-dimensional hydrogen bonding layers with amazing shock absorbing nature","Chem.Commun.","2014","50","","3568","","10.1039/C4CC00625A","","","0.71073","MoKα","","0.2091","0.096","","","0.2023","0.2377","","","","","","0.97","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112135","20.667","0.003","9.4788","0.0015","13.454","0.002","90","","126.546","0.004","90","","2117.4","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Ag N5 O5 -","- C20 H14 Ag N4 O2 -","- C80 H56 Ag4 N16 O8 -","4","0.5","","Mousumi Garai; Kumar Biradha","Coordination polymers of organic polymers synthesized via photopolymerization of single crystals: two-dimensional hydrogen bonding layers with amazing shock absorbing nature","Chem.Commun.","2014","50","","3568","","10.1039/C4CC00625A","","","0.71073","MoKα","","0.2897","0.06","","","0.0858","0.1071","","","","","","1.048","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112136","26.608","0.004","20.323","0.003","13.2407","0.0018","90","","114.223","0.003","90","","6529.6","1.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H74 N30 O25 -","- C56 H74 N30 O25 -","- C224 H296 N120 O100 -","4","0.5","","Lei Mei; Qun-yan Wu; Cai-ming Liu; Yu-liang Zhao; Zhi-fang Chai; Wei-qun Shi","The first case of an actinide polyrotaxane incorporating cucurbituril: a unique 'dragon-like' twist induced by a specific coordination pattern of uranium","Chem.Commun.","2014","50","","3612","","10.1039/c4cc00690a","","","0.71073","MoKα","","0.116","0.0744","","","0.209","0.2466","","","","","","1.049","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112137","12.887","0.003","19.363","0.004","25.334","0.008","90","","115.53","0.03","90","","5704","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H62 N26 O20 U -","- C56 H62 N26 O20 U -","- C224 H248 N104 O80 U4 -","4","1","","Lei Mei; Qun-yan Wu; Cai-ming Liu; Yu-liang Zhao; Zhi-fang Chai; Wei-qun Shi","The first case of an actinide polyrotaxane incorporating cucurbituril: a unique 'dragon-like' twist induced by a specific coordination pattern of uranium","Chem.Commun.","2014","50","","3612","","10.1039/C4CC00690A","","","0.71073","MoKα","","0.169","0.1178","","","0.3172","0.3433","","","","","","1.111","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112138","7.8222","0.0003","16.1122","0.0006","27.2257","0.001","90","","91.413","0.003","90","","3430.3","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 N3 O3 -","- C33 H39 N3 O3 -","- C132 H156 N12 O12 -","4","1","","Thomas Hjelmgaard; Olivier Roy; Lionel Nauton; Malika El-Ghozzi; Daniel Avignant; Claude Didierjean; Claude Taillefumier; Sophie Faure","Macrocyclic arylopeptoids ‒ a novel type of cyclic N-alkylated aromatic oligoamides forming nanotubular assemblies","Chem.Commun.","2014","50","","3564","","10.1039/C4CC00821A","","","0.71073","MoKα","","0.1027","0.0663","","0.118","0.0654","0.0596","","","","","","1.0713","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112139","10.0817","0.0005","11.6133","0.0005","12.8736","0.0007","87.427","0.002","72.884","0.002","73.85","0.002","1382.54","0.12","296","","296","","","","","","","","","4","P 1","P 1","1","","","","- C30 H33 N3 O3 -","- C30 H33 N3 O3 -","- C60 H66 N6 O6 -","2","2","","Thomas Hjelmgaard; Olivier Roy; Lionel Nauton; Malika El-Ghozzi; Daniel Avignant; Claude Didierjean; Claude Taillefumier; Sophie Faure","Macrocyclic arylopeptoids ‒ a novel type of cyclic N-alkylated aromatic oligoamides forming nanotubular assemblies","Chem.Commun.","2014","50","","3564","","10.1039/C4CC00821A","","","0.71073","MoKα","","0.0756","0.0576","","0.0832","0.0629","0.0629","","","","","","1.1046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112140","33.119","0.002","14.712","0.003","27.909","0.006","90","","90","","90","","13599","4","100","2","100","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C71.34 H87.2 N8.67 O6.59 -","- C71.344 H87.2 N8.672 O6.592 -","- C570.752 H697.6 N69.376 O52.736 -","8","1","","Thomas Hjelmgaard; Olivier Roy; Lionel Nauton; Malika El-Ghozzi; Daniel Avignant; Claude Didierjean; Claude Taillefumier; Sophie Faure","Macrocyclic arylopeptoids ‒ a novel type of cyclic N-alkylated aromatic oligoamides forming nanotubular assemblies","Chem.Commun.","2014","50","","3564","","10.1039/C4CC00821A","","x-ray","0.71073","MoKα","","0.1524","0.114","","","0.229","0.2466","","","","","","1.226","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112143","13.6924","0.0011","6.1056","0.0004","22.1509","0.0018","90","","107.958","0.009","90","","1761.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","1","","Jiangang Mao; Shuo-Qing Zhang; Bing-Feng Shi; Weiliang Bao","Palladium(0)-catalyzed cyclopropanation of benzyl bromides via C(sp3)-H bond activation","Chem.Commun.","2014","50","","3692","","10.1039/C3CC49231A","","","0.71073","MoKα","","0.0564","0.0407","","","0.0947","0.105","","","","","","1.034","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112144","12.3538","0.001","13.2468","0.0011","19.3848","0.0016","90","","93.4","0.002","90","","3166.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H76 N4 O16 -","- C66 H76 N4 O16 -","- C132 H152 N8 O32 -","2","0.5","","Dowoo Park; Na Young Choi; Seong-Jin Hong; Chang-Hee Lee","Unprecedented non-aromatic, conformationally locked dibenzohexaphyrin analogs carrying multiple meso-exocyclic double bonds","Chem.Commun.","2014","50","","3689","","10.1039/c3cc49380f","","","0.71073","MoKα","","0.1602","0.0579","","","0.1435","0.1606","","","","","","0.752","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112145","10.0275","0.0009","28.009","0.003","11.9161","0.0011","90","","110.138","0.002","90","","3142.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H78 N6 O16 -","- C64 H78 N6 O16 -","- C128 H156 N12 O32 -","2","0.5","","Dowoo Park; Na Young Choi; Seong-Jin Hong; Chang-Hee Lee","Unprecedented non-aromatic, conformationally locked dibenzohexaphyrin analogs carrying multiple meso-exocyclic double bonds","Chem.Commun.","2014","50","","3689","","10.1039/c3cc49380f","","","0.71073","MoKα","","0.1321","0.0645","","","0.1495","0.1781","","","","","","1.033","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112146","20.4501","0.0004","16.8939","0.0003","36.0972","0.0008","90","","97.659","0.001","90","","12359.7","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 Ag4 Cd6 N4 O4 S16 -","- C108 H108 Ag4 Cd6 N4 O4 S16 -","- C432 H432 Ag16 Cd24 N16 O16 S64 -","4","1","","Chao Xu; Niklas Hedin; Hua-Tian Shi; Qian-Feng Zhang","A semiconducting microporous framework of Cd6Ag4(SPh)16 clusters interlinked using rigid and conjugated bipyridines","Chem.Commun.","2014","50","","3710","","10.1039/c3cc49660k","","","0.71073","MoKα","","0.1614","0.0681","","","0.1661","0.2002","","","","","","0.936","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112147","18.3203","0.0002","18.3203","0.0002","45.4431","0.0011","90","","90","","90","","15252.2","0.4","296","2","296","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C65.63 H63.13 Ag2 Cd3 N3.88 O1.88 S8 -","- C60 H50 Ag2 Cd3 N2 S8 -","- C480 H400 Ag16 Cd24 N16 S64 -","8","0.5","","Chao Xu; Niklas Hedin; Hua-Tian Shi; Qian-Feng Zhang","A semiconducting microporous framework of Cd6Ag4(SPh)16 clusters interlinked using rigid and conjugated bipyridines","Chem.Commun.","2014","50","","3710","","10.1039/c3cc49660k","","","0.71073","MoKα","","0.1149","0.0551","","","0.1421","0.157","","","","","","1.045","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112148","6.8414","0.0001","21.8416","0.0004","9.456","0.0002","90","","110.684","0.001","90","","1321.91","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O4 Zn -","- C15 H11 N O4 Zn -","- C60 H44 N4 O16 Zn4 -","4","1","","In-Hyeok Park; Anjana Chanthapally; Hyeong-Hwan Lee; Hong Sheng Quah; Shim Sung Lee; Jagadese J. Vittal","Solid-State Conversion of a MOF to a Metal-Organo Polymeric Framework (MOPF) via [2+2] Cycloaddition Reaction","Chem.Commun.","2014","50","","3665","","10.1039/C4CC00228H","","","0.71073","MoKα","","0.0342","0.0316","","","0.0781","0.0794","","","","","","1.097","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112149","7.3685","0.0018","22.092","0.004","9.448","0.002","90","","111.283","0.01","90","","1433.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N O4.5 Zn -","- C15 H11 N O4.5 Zn -","- C60 H44 N4 O18 Zn4 -","4","1","","In-Hyeok Park; Anjana Chanthapally; Hyeong-Hwan Lee; Hong Sheng Quah; Shim Sung Lee; Jagadese J. Vittal","Solid-State Conversion of a MOF to a Metal-Organo Polymeric Framework (MOPF) via [2+2] Cycloaddition Reaction","Chem.Commun.","2014","50","","3665","","10.1039/C4CC00228H","","","0.71073","MoKα","","0.0996","0.0672","","","0.1487","0.1631","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112150","6.839","0.002","14.481","0.005","7.149","0.003","90","","90","","90","","708","0.4","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","Thorium vanadate selenite","","","- O9 Se Th V2 -","- O9 Se Th V2 -","- O36 Se4 Th4 V8 -","4","0.5","","Teresa Eaton; Jian Lin; Justin N. Cross; Jared T. Stritzinger; Thomas E. Albrecht-Schmitt","Th(VO3)2(SeO3) and Ln(VO3)2(IO3) (Ln = Ce, Pr, Nd, Sm, and Eu): unusual cases of aliovalent substitution","Chem.Commun.","2014","50","","3668","","10.1039/c4cc00537f","","","0.71073","MoKα","","0.0316","0.0239","","","0.0503","0.053","","","","","","1.057","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112151","7.0352","0.0006","14.5215","0.0011","7.2665","0.0006","90","","90","","90","","742.36","0.1","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","Cerium vanadate iodate","","","- Ce I O9 V2 -","- Ce I O9 V2 -","- Ce4 I4 O36 V8 -","4","0.5","","Teresa Eaton; Jian Lin; Justin N. Cross; Jared T. Stritzinger; Thomas E. Albrecht-Schmitt","Th(VO3)2(SeO3) and Ln(VO3)2(IO3) (Ln = Ce, Pr, Nd, Sm, and Eu): unusual cases of aliovalent substitution","Chem.Commun.","2014","50","","3668","","10.1039/c4cc00537f","","","0.71073","MoKα","","0.0203","0.0147","","","0.0318","0.033","","","","","","1.089","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112152","7.0009","0.0007","14.4453","0.0014","7.2344","0.0007","90","","90","","90","","731.62","0.12","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","Praseodymium vanadate iodate","","","- I O9 Pr V2 -","- I O9 Pr V2 -","- I4 O36 Pr4 V8 -","4","0.5","","Teresa Eaton; Jian Lin; Justin N. Cross; Jared T. Stritzinger; Thomas E. Albrecht-Schmitt","Th(VO3)2(SeO3) and Ln(VO3)2(IO3) (Ln = Ce, Pr, Nd, Sm, and Eu): unusual cases of aliovalent substitution","Chem.Commun.","2014","50","","3668","","10.1039/c4cc00537f","","","0.71073","MoKα","","0.0185","0.0147","","","0.0318","0.0327","","","","","","1.096","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112153","6.9863","0.0011","14.422","0.002","7.2237","0.0011","90","","90","","90","","727.83","0.19","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","neodymium vanadate iodate","","","- I Nd O9 V2 -","- I Nd O9 V2 -","- I4 Nd4 O36 V8 -","4","0.5","","Teresa Eaton; Jian Lin; Justin N. Cross; Jared T. Stritzinger; Thomas E. Albrecht-Schmitt","Th(VO3)2(SeO3) and Ln(VO3)2(IO3) (Ln = Ce, Pr, Nd, Sm, and Eu): unusual cases of aliovalent substitution","Chem.Commun.","2014","50","","3668","","10.1039/c4cc00537f","","","0.71073","MoKα","","0.0241","0.02","","","0.0407","0.0416","","","","","","1.109","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112154","6.9439","0.001","14.303","0.002","7.188","0.001","90","","90","","90","","713.9","0.17","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","Samarium vanadate iodate","","","- I O9 Sm V2 -","- I O9 Sm V2 -","- I4 O36 Sm4 V8 -","4","0.5","","Teresa Eaton; Jian Lin; Justin N. Cross; Jared T. Stritzinger; Thomas E. Albrecht-Schmitt","Th(VO3)2(SeO3) and Ln(VO3)2(IO3) (Ln = Ce, Pr, Nd, Sm, and Eu): unusual cases of aliovalent substitution","Chem.Commun.","2014","50","","3668","","10.1039/c4cc00537f","","","0.71073","MoKα","","0.0225","0.0207","","","0.0568","0.0574","","","","","","1.22","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112155","6.9278","0.0004","14.2624","0.0009","7.172","0.0005","90","","90","","90","","708.64","0.08","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","Europium vanadate iodate","","","- Eu I O9 V2 -","- Eu I O9 V2 -","- Eu4 I4 O36 V8 -","4","0.5","","Teresa Eaton; Jian Lin; Justin N. Cross; Jared T. Stritzinger; Thomas E. Albrecht-Schmitt","Th(VO3)2(SeO3) and Ln(VO3)2(IO3) (Ln = Ce, Pr, Nd, Sm, and Eu): unusual cases of aliovalent substitution","Chem.Commun.","2014","50","","3668","","10.1039/c4cc00537f","","","0.71073","MoKα","","0.0183","0.0155","","","0.0343","0.035","","","","","","1.114","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112156","11.9457","0.001","11.0271","0.001","17.2592","0.0015","90","","97.921","0.001","90","","2251.8","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dimesitylsilanediol with 7-azaindole","","","- C25 H30 N2 O2 Si -","- C25 H30 N2 O2 Si -","- C100 H120 N8 O8 Si4 -","4","1","","Tran, Ngon T.; Wilson, Sean O.; Franz, Annaliese K.","Supramolecular hydrogen-bonding assembly of silanediols with bifunctional heterocycles","Chem.Commun.","2014","50","","3738","","10.1039/C4CC00672K","","","0.71073","MoKα","","0.0484","0.0397","","","0.1046","0.1121","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7112157","11.7044","0.0006","11.1778","0.0006","16.8654","0.0009","90","","107.213","0.001","90","","2107.66","0.19","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dimesitylsilanediol with phenazine solvate","","","- C24 H28 N O2 Si -","- C24 H28 N O2 Si -","- C96 H112 N4 O8 Si4 -","4","1","","Tran, Ngon T.; Wilson, Sean O.; Franz, Annaliese K.","Supramolecular hydrogen-bonding assembly of silanediols with bifunctional heterocycles","Chem.Commun.","2014","50","","3738","","10.1039/C4CC00672K","","","0.71073","MoKα","","0.0337","0.0319","","","0.0873","0.089","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7112158","8.4092","0.0002","9.022","0.0002","13.4486","0.0003","99.15","","97.1","","93.79","","995.77","0.04","90","2","90","2","","","","","","","","4","P -1","-P 1","2","dimesitylsilanediol with 1,4-dimethoxybenzene solvate","","","- C22 H29 O3 Si -","- C22 H29 O3 Si -","- C44 H58 O6 Si2 -","2","1","","Tran, Ngon T.; Wilson, Sean O.; Franz, Annaliese K.","Supramolecular hydrogen-bonding assembly of silanediols with bifunctional heterocycles","Chem.Commun.","2014","50","","3738","","10.1039/C4CC00672K","","","0.71073","MoKα","","0.0436","0.036","","","0.0978","0.1032","","","","","","1.057","","","","has coordinates","138945","2020-10-21","18:00:00",""
"7112159","8.4628","0.0015","12.198","0.003","12.589","0.002","99.002","0.018","98.19","0.02","108.44","0.02","1191.8","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","dimesitylsilanediol with 4,4'-dipyridyl solvate","","","- C24 H30 Cl2 N O2 Si -","- C24 H30 Cl2 N O2 Si -","- C48 H60 Cl4 N2 O4 Si2 -","2","1","","Tran, Ngon T.; Wilson, Sean O.; Franz, Annaliese K.","Supramolecular hydrogen-bonding assembly of silanediols with bifunctional heterocycles","Chem.Commun.","2014","50","","3738","","10.1039/C4CC00672K","","","0.71073","MoKα","","0.0394","0.0333","","","0.0895","0.0937","","","","","","1.046","","","","has coordinates","138945","2020-10-21","18:00:00",""
"7112160","16.3594","0.0012","16.2083","0.0013","24.658","0.002","90","","90.182","0.004","90","","6538.2","0.9","100","","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H72 N8 O2 -","- C70 H69 N7 O2 -","- C280 H276 N28 O8 -","4","1","","Sudip Kumar Ghosh; Masatoshi Ishida; Jiazhu Li; Won-Young Cha; Vincent M. Lynch; Dongho Kim; Jonathan L. Sessler","Synthesis and anion binding studies of o-phenylenevinylene-bridged tetrapyrrolic macrocycle as an expanded analogue of calix[4]pyrrole","Chem.Commun.","2014","50","","3753","","10.1039/c4cc00686k","","","1.54178","CuKα","","0.1582","0.1225","","","0.3419","0.3655","","","","","","1.69","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112161","8.131","0.002","15.863","0.004","14.367","0.004","90","","100.185","0.003","90","","1823.9","0.8","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C76 H108 N4 O16 -","4","1","","Keiji Mori; Kazuki Kurihara; Takahiko Akiyama","Expeditious synthesis of 1-aminoindane derivatives achieved by [1,4]-hydride shift mediated C(sp3)-H bond functionalization","Chem.Commun.","2014","50","","3729","","10.1039/c4cc00894d","","","0.71073","MoKα","","0.0727","0.0474","","","0.1164","0.1304","","","","","","1.031","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112162","14.974","0.0015","19.497","0.002","7.6466","0.0008","90","","90","","90","","2232.4","0.4","123","","123","","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Keiji Mori; Kazuki Kurihara; Takahiko Akiyama","Expeditious synthesis of 1-aminoindane derivatives achieved by [1,4]-hydride shift mediated C(sp3)-H bond functionalization","Chem.Commun.","2014","50","","3729","","10.1039/c4cc00894d","","","0.71073","MoKα","","0.0422","0.0357","","","0.0796","0.0828","","","","","","1.035","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112163","10.0579","0.0006","10.0579","0.0006","36.133","0.002","90","","90","","90","","3655.3","0.4","123","","123","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C18.5 H24 Cl N3 O3 -","- C18.25 H24 Cl N3 O3 -","- C146 H192 Cl8 N24 O24 -","8","1","","Keiji Mori; Kazuki Kurihara; Takahiko Akiyama","Expeditious synthesis of 1-aminoindane derivatives achieved by [1,4]-hydride shift mediated C(sp3)-H bond functionalization","Chem.Commun.","2014","50","","3729","","10.1039/c4cc00894d","","","0.71073","MoKα","","0.0443","0.0412","","","0.1049","0.107","","","","","","1.026","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112164","21.722","0.004","39.084","0.008","17.966","0.004","90","","90","","90","","15253","5","273","","273.15","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C40 H40 Cd2 N4 O8 -","- C40 H40 Cd2 N4 O8 -","- C320 H320 Cd16 N32 O64 -","8","","","Turner, David R.; Hawes, Chris S.; Batten, Stuart R.; Knowles, Gregory P.; Chaffee, Alan L.; Nolvachai, Yada; Kulsing, Chadin; Marriott, Philip J.","Metal-organic frameworks as stationary phases for mixed-mode separation applications","Chem.Commun.","2014","50","","3735","","10.1039/C4CC00933A","","","0.7108","Synchrotron","","0.0964","0.0788","","","0.2379","0.2524","","","","","","0.983","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7112165","12.0384","0.0004","13.2068","0.0006","14.0473","0.0006","111.55","0.004","102.22","0.003","102.211","0.004","1924.65","0.17","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C38 H40 Br4 N4 O3 S Zn -","- C38 H40 Br4 N4 O3 S Zn -","- C76 H80 Br8 N8 O6 S2 Zn2 -","2","2","","Lenard Hussein; Nibadita Purkait; Mustafa Biyikal; Eugenia Tausch; Peter W. Roesky; Siegfried Blechert","Highly enantioselective hydroamination to six-membered rings by heterobimetallic catalysts","Chem.Commun.","2014","50","","3862","","10.1039/C3CC48874H","","","0.71073","MoKα","","0.0417","0.0307","","","0.0471","0.0485","","","","","","0.902","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112166","30.212","0.002","7.0191","0.0006","16.0347","0.0015","90","","90.159","0.008","90","","3400.3","0.5","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C37 H40 Cl2 Cu N4 O2 -","- C37 H40 Cl2 Cu N4 O2 -","- C148 H160 Cl8 Cu4 N16 O8 -","4","1","","Lenard Hussein; Nibadita Purkait; Mustafa Biyikal; Eugenia Tausch; Peter W. Roesky; Siegfried Blechert","Highly enantioselective hydroamination to six-membered rings by heterobimetallic catalysts","Chem.Commun.","2014","50","","3862","","10.1039/C3CC48874H","","","0.71073","MoKα","","0.0766","0.0611","","","0.1054","0.1114","","","","","","1.037","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112167","8.1989","0.0006","11.609","0.0007","36.4888","0.0022","90","","90","","90","","3473","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 N4 O3 S Zn -","- C38 H44 N4 O3 S Zn -","- C152 H176 N16 O12 S4 Zn4 -","4","1","","Lenard Hussein; Nibadita Purkait; Mustafa Biyikal; Eugenia Tausch; Peter W. Roesky; Siegfried Blechert","Highly enantioselective hydroamination to six-membered rings by heterobimetallic catalysts","Chem.Commun.","2014","50","","3862","","10.1039/C3CC48874H","","","0.71073","MoKα","","0.1339","0.0657","","","0.123","0.1418","","","","","","0.806","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112168","14.62","0.002","14.62","0.002","11.698","0.002","90","","90","","120","","2165.4","0.6","293","2","293","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C24 H6 O18 Ti2 -","- C24 H6 O18 Ti2 -","- C48 H12 O36 Ti4 -","2","0.166667","","Junkuo Gao; Jianwei Miao; Pei-Zhou Li; Wen Yuan Teng; Ling Yang; Yanli Zhao; Bin Liu; Qichun Zhang","A p-type Ti(IV)-based metal-organic framework with visible-light photo-response","Chem.Commun.","2014","50","","3786","","10.1039/C3CC49440C","","","1.54178","CuKα","","0.0325","0.031","","","0.0949","0.0955","","","","","","1.102","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112169","9.938","0.002","12.36","0.003","15.263","0.004","102.448","0.004","98.325","0.004","105.752","0.004","1720.3","0.7","138","2","138","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H102 B2 Co3 F8 O18 -","- C54 H102 B2 Co3 F8 O18 -","- C54 H102 B2 Co3 F8 O18 -","1","0.5","","Hyun S. Ahn; Timothy C. Davenport; T. Don Tilley","Molecular cobalt electrocatalyst for proton reduction at low overpotential","Chem.Commun.","2014","50","","3834","","10.1039/C3CC49682A","","","0.71073","MoKα","","0.1107","0.0656","","","0.1548","0.1825","","","","","","1.021","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112170","12.921","0.0001","26.7541","0.0002","14.7175","0.0001","90","","91.0133","0.0003","90","","5086.89","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H72 B2 Hg N4 -","- C52 H72 B2 Hg N4 -","- C208 H288 B8 Hg4 N16 -","4","1","","Andrey V. Protchenko; Deepak Dange; Andrew D. Schwarz; Christina Y. Tang; Nicholas Phillips; Philip Mountford; Cameron Jones; Simon Aldridge","Heavy metal boryl chemistry: complexes of cadmium, mercury and lead","Chem.Commun.","2014","50","","3841","","10.1039/C4CC00697F","","","0.71073","MoKα","","0.0358","0.0255","","0.0647","0.0569","0.0647","","","","","","0.9041","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112171","15.42985","0.00013","12.96843","0.00011","25.1614","0.0002","90","","92.7909","0.0007","90","","5028.85","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 B2 Cd N4 -","- C52 H72 B2 Cd N4 -","- C208 H288 B8 Cd4 N16 -","4","1","","Andrey V. Protchenko; Deepak Dange; Andrew D. Schwarz; Christina Y. Tang; Nicholas Phillips; Philip Mountford; Cameron Jones; Simon Aldridge","Heavy metal boryl chemistry: complexes of cadmium, mercury and lead","Chem.Commun.","2014","50","","3841","","10.1039/C4CC00697F","","","1.54184","CuKα","","0.0312","0.0281","","0.0105","0.0102","0.0101","","","","","","1.0447","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112172","12.8321","0.0002","20.4714","0.0003","19.4688","0.0003","90","","94.9158","0.0007","90","","5095.47","0.13","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 B2 N4 Pb -","- C52 H72 B2 N4 Pb -","- C208 H288 B8 N16 Pb4 -","4","1","","Andrey V. Protchenko; Deepak Dange; Andrew D. Schwarz; Christina Y. Tang; Nicholas Phillips; Philip Mountford; Cameron Jones; Simon Aldridge","Heavy metal boryl chemistry: complexes of cadmium, mercury and lead","Chem.Commun.","2014","50","","3841","","10.1039/C4CC00697F","","","0.71073","MoKα","","0.0554","0.0388","","0.0964","0.0864","0.0961","","","","","","1.0131","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112173","9.5303","0.0001","10.6414","0.0001","14.1133","0.0001","76.0209","0.0004","89.6737","0.0004","77.503","0.0005","1354.37","0.02","230","","230","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 B Br Hg N2 -","- C26 H36 B Br Hg N2 -","- C52 H72 B2 Br2 Hg2 N4 -","2","1","","Andrey V. Protchenko; Deepak Dange; Andrew D. Schwarz; Christina Y. Tang; Nicholas Phillips; Philip Mountford; Cameron Jones; Simon Aldridge","Heavy metal boryl chemistry: complexes of cadmium, mercury and lead","Chem.Commun.","2014","50","","3841","","10.1039/C4CC00697F","","","0.71073","MoKα","","0.0305","0.0286","","0.0726","0.0713","0.0726","","","","","","0.9763","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112174","12.8859","0.00009","20.35542","0.00013","40.3562","0.0003","90","","90","","90","","10585.3","0.13","150","","150","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C52 H72 B Ga Hg N4 -","- C52 H72 B Ga Hg N4 -","- C416 H576 B8 Ga8 Hg8 N32 -","8","1","","Andrey V. Protchenko; Deepak Dange; Andrew D. Schwarz; Christina Y. Tang; Nicholas Phillips; Philip Mountford; Cameron Jones; Simon Aldridge","Heavy metal boryl chemistry: complexes of cadmium, mercury and lead","Chem.Commun.","2014","50","","3841","","10.1039/C4CC00697F","","","1.5418","CuKα","","0.0486","0.0473","","0.049","0.0485","0.0484","","","","","","1.0243","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112175","23.2791","0.0003","15.3252","0.0002","30.6289","0.0004","90","","98.7092","0.001","90","","10801.1","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Sn8(B(L)4","","- C52 H72 B2 N4 Sn2.5 -","- C52 H72 B2 N4 Sn2.5 -","- C416 H576 B16 N32 Sn20 -","8","1","","Andrey V. Protchenko; Deepak Dange; Andrew D. Schwarz; Christina Y. Tang; Nicholas Phillips; Philip Mountford; Cameron Jones; Simon Aldridge","Heavy metal boryl chemistry: complexes of cadmium, mercury and lead","Chem.Commun.","2014","50","","3841","","10.1039/C4CC00697F","","","1.5418","CuKα","","0.0435","0.034","","0.0492","0.0412","0.0401","","","","","","1.0412","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112176","11.9663","0.0006","8.2591","0.0004","20.6407","0.001","90","","96.402","0.005","90","","2027.22","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Xin-Xing Wu; Ping-Xin Zhou; Li-Jing Wang; Peng-Fei Xu; Yong-Min Liang","Synthesis of polycyclic substituted vinylarenes via a one-pot intramolecular aryl alkylation-N-tosylhydrazone insertion reaction","Chem.Commun.","2014","50","","3882","","10.1039/C4CC00809J","","","0.71073","MoKα","","0.089","0.0552","","","0.1182","0.1445","","","","","","1.061","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112177","39.679","0.004","26.582","0.003","43.235","0.005","90","","114.472","0.005","90","","41505","8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","octakis(μ3-hydroxo)-tetrakis(μ2-2,2'-bipyrimidine-N,N',N'',N''') -octakis(μ2-hydroxo)-hexatriacontakis(μ2-pivalato)-tetrakis(pivalato-O,O') -tetrakis(pivalato)-tetrakis(pivalic acid)-dodeca-chromium(III) -dodeca-cobalt(II) tridecaacetone solvate","","- C311 H554 Co12 Cr12 N16 O125 -","- C311 H554 Co12 Cr12 N16 O125 -","- C1244 H2216 Co48 Cr48 N64 O500 -","4","1","","Christian Plenk; Thomas Weyhermuller; Eva Rentschler","Folded Cr12Co12 and Cr12Ni12 wheels: a sharp increase in nuclearity of heterometallic chromium rings","Chem.Commun.","2014","50","","3871","","10.1039/C4CC00895B","","","0.71073","MoKα","","0.1277","0.0891","","","0.2222","0.2474","","","","","","1.168","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112178","39.8265","0.0009","26.8781","0.0007","43.4526","0.001","90","","113.919","0.001","90","","42519.6","1.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","octakis(μ3-hydroxo)-tetrakis(μ2-2,2'-bipyrimidine-N,N',N'',N''') -octakis(μ2-hydroxo)-hexatriacontakis(μ2-pivalato)-tetrakis(pivalato-O,O') -tetrakis(pivalato)-tetrakis(pivalic acid)-dodeca-chromium(III) -dodeca-nickel(II) nonaacetone solvate","","- C299 H530 Cr12 N16 Ni12 O121 -","- C299 H527 Cr12 N16 Ni12 O121 -","- C1196 H2108 Cr48 N64 Ni48 O484 -","4","1","","Christian Plenk; Thomas Weyhermuller; Eva Rentschler","Folded Cr12Co12 and Cr12Ni12 wheels: a sharp increase in nuclearity of heterometallic chromium rings","Chem.Commun.","2014","50","","3871","","10.1039/C4CC00895B","","","0.71073","MoKα","","0.2212","0.0872","","","0.2256","0.304","","","","","","1.034","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112179","7.085","0.0014","13.334","0.003","14.383","0.003","69.66","0.03","90.02","0.03","74.6","0.03","1221.8","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 Fe N12 O2 Pd S2 -","- C18 H12 Fe1.2 N12 O2 Pd1.2 S2 -","- C36 H24 Fe2.4 N24 O4 Pd2.4 S4 -","2","1","","Y. Maximilian Klein; Natasha F. Sciortino; Florence Ragon; Catherine E. Housecroft; Cameron J. Kepert; Suzanne M. Neville","Spin crossover intermediate plateau stabilization in a flexible 2-D Hofmann-type coordination polymer","Chem.Commun.","2014","50","","3838","","10.1039/C4CC01079E","","","0.71073","synchrotron","","0.1047","0.1","","","0.2702","0.2738","","","","","","1.106","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7112180","7.2333","0.0015","13.404","0.003","14.527","0.003","69.13","0.003","90.027","0.003","74.359","0.003","1260","0.5","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 Fe N12 O2 Pd S2 -","- C18 H12 Fe N12 O2 Pd S2 -","- C36 H24 Fe2 N24 O4 Pd2 S4 -","2","1","","Y. Maximilian Klein; Natasha F. Sciortino; Florence Ragon; Catherine E. Housecroft; Cameron J. Kepert; Suzanne M. Neville","Spin crossover intermediate plateau stabilization in a flexible 2-D Hofmann-type coordination polymer","Chem.Commun.","2014","50","","3838","","10.1039/C4CC01079E","","","0.71073","MoKα","","0.0988","0.0766","","","0.2065","0.2249","","","","","","1.088","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7112181","7.4566","0.0011","13.554","0.003","14.747","0.003","69.852","0.009","90.053","0.008","74.024","0.009","1337.6","0.5","260","2","260","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 Fe N12 O2 Pd S2 -","- C18 H12 Fe N12 O2 Pd S2 -","- C36 H24 Fe2 N24 O4 Pd2 S4 -","2","1","","Y. Maximilian Klein; Natasha F. Sciortino; Florence Ragon; Catherine E. Housecroft; Cameron J. Kepert; Suzanne M. Neville","Spin crossover intermediate plateau stabilization in a flexible 2-D Hofmann-type coordination polymer","Chem.Commun.","2014","50","","3838","","10.1039/C4CC01079E","","","0.71073","MoKα","","0.0956","0.0659","","","0.1684","0.2035","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7112182","7.3437","0.0019","24.282","0.006","5.3533","0.0014","90","","93.061","0.004","90","","953.2","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H7 Co2 O6 P -","- C8 H7 Co2 O6 P -","- C32 H28 Co8 O24 P4 -","4","1","","Xiao-Jing Yang; Song-Song Bao; Min Ren; Norihisa Hoshino; Tomoyuki Akutagawa; Li-Min Zheng","Polar metal phosphonate containing unusual mu/4-OH bridged double chains showing canted antiferromagnetism with large coercivity","Chem.Commun.","2014","50","","3979","","10.1039/C3CC45976d","","","0.71073","MoKα","","0.0367","0.0341","","","0.0698","0.0705","","","","","","1.005","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112183","9.917","0.006","7.45","0.004","28.101","0.016","90","","90","","90","","2076","2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H14 Cu4 O12 P2 -","- C16 H14 Cu4 O12 P2 -","- C64 H56 Cu16 O48 P8 -","4","1","","Xiao-Jing Yang; Song-Song Bao; Min Ren; Norihisa Hoshino; Tomoyuki Akutagawa; Li-Min Zheng","Polar metal phosphonate containing unusual mu/4-OH bridged double chains showing canted antiferromagnetism with large coercivity","Chem.Commun.","2014","50","","3979","","10.1039/C3CC45976d","","","0.71073","MoKα","","0.0552","0.0437","","","0.0993","0.1038","","","","","","0.952","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112184","12.4942","0.0009","15.9632","0.0012","16.1661","0.0012","87.833","0.004","89.498","0.004","76.857","0.004","3137.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 Cl6 N12 U2 -","- C60 H60 Cl6 N12 U2 -","- C120 H120 Cl12 N24 U4 -","2","1","","Henry S. La Pierre; Frank W. Heinemann; Karsten Meyer","Well-defined molecular uranium(III) chloride complexes","Chem.Commun.","2014","50","","3962","","10.1039/C3CC49452g","","","0.71073","MoKα","","0.0758","0.0587","","","0.1577","0.1634","","","","","","1.319","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7112185","16.181","0.009","10.378","0.005","17.045","0.009","90","","117.095","0.006","90","","2548","2","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 N2 -","- C38 H22 N2 -","- C152 H88 N8 -","4","0.5","","Takashi Takeda; Yasuto Uchimura; Hidetoshi Kawai; Ryo Katoono; Kenshu Fujiwara; Takanori Suzuki","Preparation and structure of acenaphthylene-1,2-diyldi(9-acridine) derivatives with a long C[double bond, length as m-dash]C bond","Chem.Commun.","2014","50","","3924","","10.1039/C3CC49573F","","","0.71075","MoKα","","","0.0566","","","","0.1665","","","","","","0.99","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112186","21.8437","0.0016","13.9673","0.0009","9.6149","0.0011","90","","94.127","0.004","90","","2925.9","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H23 Cl3 N2 -","- C39 H23 Cl3 N2 -","- C156 H92 Cl12 N8 -","4","1","","Takashi Takeda; Yasuto Uchimura; Hidetoshi Kawai; Ryo Katoono; Kenshu Fujiwara; Takanori Suzuki","Preparation and structure of acenaphthylene-1,2-diyldi(9-acridine) derivatives with a long C[double bond, length as m-dash]C bond","Chem.Commun.","2014","50","","3924","","10.1039/C3CC49573F","","","0.71075","MoKα","","","0.052","","","","0.1707","","","","","","1.101","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112187","13.04","0.003","13.546","0.003","13.7353","0.0013","67.069","0.017","66.224","0.016","81.35","0.02","2044.8","0.8","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H29 Cl3 F6 N2 O6 S2 -","- C43 H29 Cl3 F6 N2 O6 S2 -","- C86 H58 Cl6 F12 N4 O12 S4 -","2","1","","Takashi Takeda; Yasuto Uchimura; Hidetoshi Kawai; Ryo Katoono; Kenshu Fujiwara; Takanori Suzuki","Preparation and structure of acenaphthylene-1,2-diyldi(9-acridine) derivatives with a long C[double bond, length as m-dash]C bond","Chem.Commun.","2014","50","","3924","","10.1039/C3CC49573F","","","0.7107","MoKα","","","0.0758","","","","0.1024","","","","","","0.911","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112188","12.972","0.003","13.438","0.003","13.49","0.003","67.715","0.013","67.1","0.012","82.254","0.015","2004.2","0.8","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 F6 N2 O6 S2 -","- C44 H31 F6 N3 O6 S2 -","- C88 H62 F12 N6 O12 S4 -","2","1","","Takashi Takeda; Yasuto Uchimura; Hidetoshi Kawai; Ryo Katoono; Kenshu Fujiwara; Takanori Suzuki","Preparation and structure of acenaphthylene-1,2-diyldi(9-acridine) derivatives with a long C[double bond, length as m-dash]C bond","Chem.Commun.","2014","50","","3924","","10.1039/C3CC49573F","","","0.7107","MoKα","","","0.05","","","","0.1529","","","","","","1.021","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112189","9.848","0.006","11.966","0.006","12.247","0.007","97.95","0.006","111.742","0.01","95.696","0.008","1309.8","1.3","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C39 H26 N2 -","- C39 H26 N2 -","- C78 H52 N4 -","2","1","","Takashi Takeda; Yasuto Uchimura; Hidetoshi Kawai; Ryo Katoono; Kenshu Fujiwara; Takanori Suzuki","Preparation and structure of acenaphthylene-1,2-diyldi(9-acridine) derivatives with a long C[double bond, length as m-dash]C bond","Chem.Commun.","2014","50","","3924","","10.1039/C3CC49573F","","","0.7107","MoKα","","","0.0582","","","","0.0894","","","","","","1.095","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112190","14.643","0.004","31.409","0.008","16.869","0.005","90","","105.429","0.006","90","","7479","4","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 Cl3 F3 N2 O3 S -","- C42 H30 Cl3 F3 N2 O3 S -","- C336 H240 Cl24 F24 N16 O24 S8 -","8","2","","Takashi Takeda; Yasuto Uchimura; Hidetoshi Kawai; Ryo Katoono; Kenshu Fujiwara; Takanori Suzuki","Preparation and structure of acenaphthylene-1,2-diyldi(9-acridine) derivatives with a long C[double bond, length as m-dash]C bond","Chem.Commun.","2014","50","","3924","","10.1039/C3CC49573F","","","0.7107","MoKα","","","0.0905","","","","0.2065","","","","","","0.608","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112191","33.637","0.017","11.993","0.006","15.904","0.008","90","","97.925","0.009","90","","6355","6","153","","153","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H30 Cl2 N2 O2 -","- C41 H28 Cl2 N2 O2 -","- C328 H224 Cl16 N16 O16 -","8","1","","Takashi Takeda; Yasuto Uchimura; Hidetoshi Kawai; Ryo Katoono; Kenshu Fujiwara; Takanori Suzuki","Preparation and structure of acenaphthylene-1,2-diyldi(9-acridine) derivatives with a long C[double bond, length as m-dash]C bond","Chem.Commun.","2014","50","","3924","","10.1039/C3CC49573F","","","0.7107","MoKα","","","0.0759","","","","0.1462","","","","","","1.202","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112192","36.2356","","36.2356","","11.6336","","90","","90","","120","","13228.7","","95","","95","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C247 H195 Cl3 N12 -","- C246.998 H180 Cl3 N12 -","- C740.994 H540 Cl9 N36 -","3","0.166667","","Takashi Takeda; Yasuto Uchimura; Hidetoshi Kawai; Ryo Katoono; Kenshu Fujiwara; Takanori Suzuki","Preparation and structure of acenaphthylene-1,2-diyldi(9-acridine) derivatives with a long C[double bond, length as m-dash]C bond","Chem.Commun.","2014","50","","3924","","10.1039/C3CC49573F","","","0.7107","MoKα","","","0.0573","","","","0.0985","","","","","","1.052","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112193","7.90952","0.00017","16.0335","0.0004","15.9946","0.0003","90","","90","","90","","2028.39","0.08","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Fe N4 S2 -","- C8 H6 Fe N4 S2 -","- C64 H48 Fe8 N32 S16 -","8","1","","P. J. Beldon; S. Tominaka; P. Singh; T. Saha Dasgupta; E. G. Bithell; A. K. Cheetham","Layered structures and nanosheets of pyrimidinethiolate coordination polymers","Chem.Commun.","2014","50","","3955","","10.1039/C4CC00771A","","","1.5418","CuKα","","0.0458","0.0396","","","0.1067","0.1115","","","","","","1.051","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112194","9.6998","0.0008","26.16","0.002","13.9557","0.0012","90","","100.507","0.002","90","","3481.8","0.5","110","2","110.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H57 F4 N O P2 Pt -","- C36 H57 F4 N O P2 Pt -","- C144 H228 F16 N4 O4 P8 Pt4 -","4","1","","Perutz, Robin N; Jasim, Naser A; Procacci, Barbara; Whitwood, Adrian C","Oxidative addition of ether O-methyl bonds at a Pt(0) centre","Chem.Commun.","2014","50","","3914","","10.1039/C4CC00853G","","","0.71073","MoKα","","0.0295","0.0235","","","0.0511","0.0533","","","","","","1.055","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112195","9.8789","0.0006","26.7643","0.001","13.76","0.0005","90","","103.677","0.005","90","","3535","0.3","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 F5 O P2 Pt -","- C37 H57 F5 O P2 Pt -","- C148 H228 F20 O4 P8 Pt4 -","4","1","","Perutz, Robin N; Jasim, Naser A; Procacci, Barbara; Whitwood, Adrian C","Oxidative addition of ether O-methyl bonds at a Pt(0) centre","Chem.Commun.","2014","50","","3914","","10.1039/C4CC00853G","","","0.7107","MoKα","","0.0261","0.0224","","","0.0455","0.0469","","","","","","1.052","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112196","9.72738","0.00015","26.6352","0.0004","13.74424","0.00018","90","","102.357","0.0014","90","","3478.51","0.09","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H59 F3 O P2 Pt -","- C37 H59 F3 O P2 Pt -","- C148 H236 F12 O4 P8 Pt4 -","4","1","","Perutz, Robin N; Jasim, Naser A; Procacci, Barbara; Whitwood, Adrian C","Oxidative addition of ether O-methyl bonds at a Pt(0) centre","Chem.Commun.","2014","50","","3914","","10.1039/C4CC00853G","","","0.7107","MoKα","","0.0257","0.0217","","","0.0442","0.0457","","","","","","1.071","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112197","10.28091","0.00016","24.3536","0.0004","14.17425","0.00019","90","","101.12","0.0014","90","","3482.28","0.09","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H58 F4 O P2 Pt -","- C37 H58 F4 O P2 Pt -","- C148 H232 F16 O4 P8 Pt4 -","4","1","","Perutz, Robin N; Jasim, Naser A; Procacci, Barbara; Whitwood, Adrian C","Oxidative addition of ether O-methyl bonds at a Pt(0) centre","Chem.Commun.","2014","50","","3914","","10.1039/C4CC00853G","","","0.7107","MoKα","","0.0271","0.0221","","","0.0418","0.0432","","","","","","1.064","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112198","12.0887","0.0003","12.9462","0.0003","32.3959","0.0008","96.255","0.002","94.2284","0.0019","98.8577","0.0019","4958.6","0.2","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","5,11,17,23-tetra-carboxy-25,26,27,28-tetradodecyloxycalix[4]arene","","","- C105 H145 N5 O12 -","- C100 H140 N4 O12 -","- C200 H280 N8 O24 -","2","1","","Ludovico G. Tulli; Negar Moridi; Wenjie Wang; Kaisa Helttunen; Markus Neuburger; David Vaknin; Wolfgang Meier; Patrick Shahgaldian","Polymorphism control of an active pharmaceutical ingredient beneath calixarene-based Langmuir monolayers","Chem.Commun.","2014","50","","3938","","10.1039/C4CC00928B","","","1.5418","CuKα","","0.1013","0.0839","","","0.2611","0.278","","","","","","1.09","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112199","24.682","0.004","18.626","0.003","29.15","0.005","90","","113.266","0.002","90","","12311","4","24","2","24","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C110 H148 B2 Co2 F12 Fe2 N26 O2 P2 -","- C110 H148 B2 Co2 F12 Fe2 N26 O2 P2 -","- C440 H592 B8 Co8 F48 Fe8 N104 O8 P8 -","4","0.5","","Yoshihiro Sekine; Masayuki Nihei; Reiji Kumai; Hironori Nakao; Youichi Murakami; Hiroki Oshio","X-ray-induced phase transitions by selective excitation of heterometal ions in a cyanide-bridged Fe-Co molecular square","Chem.Commun.","2014","50","","4050","","10.1039/C3CC48820A","","","0.71073","MoKα","","0.1023","0.0729","","","0.2028","0.2289","","","","","","1.027","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112200","24.639","0.002","19.1926","0.0016","29.908","0.002","90","","115.207","0.002","90","","12796.3","1.7","14","2","14","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C110 H148 B2 Co2 F12 Fe2 N26 O2 P2 -","- C110 H148 B2 Co2 F12 Fe2 N26 O2 P2 -","- C440 H592 B8 Co8 F48 Fe8 N104 O8 P8 -","4","0.5","","Yoshihiro Sekine; Masayuki Nihei; Reiji Kumai; Hironori Nakao; Youichi Murakami; Hiroki Oshio","X-ray-induced phase transitions by selective excitation of heterometal ions in a cyanide-bridged Fe-Co molecular square","Chem.Commun.","2014","50","","4050","","10.1039/C3CC48820A","","","1","synchrotron","","0.1162","0.107","","","0.3193","0.3334","","","","","","1.446","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112201","10.8557","0.0007","10.8557","0.0007","25.463","0.002","90","","90","","120","","2598.7","0.3","150","2","150","2","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C38 H28 Fe N10 O0 -","- C38 H28 Fe N10 -","- C114 H84 Fe3 N30 -","3","0.5","","Wei Liu; Xin Bao; Ling-Ling Mao; Jiri Tucek; Radek Zboril; Jun-Liang Liu; Fu-Sheng Guo; Zhao-Ping Ni; Ming-Liang Tong","A chiral spin crossover metal-organic framework","Chem.Commun.","2014","50","","4059","","10.1039/C3CC48935C","","","0.71073","MoKα","","0.1171","0.0606","","","0.1294","0.1739","","","","","","1.132","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112202","11.008","0.0011","11.008","0.0011","25.49","0.004","90","","90","","120","","2675","0.6","293","2","293","2","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C38 H28 Fe N10 O0 -","- C38 H28 Fe N10 -","- C114 H84 Fe3 N30 -","3","0.5","","Wei Liu; Xin Bao; Ling-Ling Mao; Jiri Tucek; Radek Zboril; Jun-Liang Liu; Fu-Sheng Guo; Zhao-Ping Ni; Ming-Liang Tong","A chiral spin crossover metal-organic framework","Chem.Commun.","2014","50","","4059","","10.1039/C3CC48935C","","","0.71073","MoKα","","0.129","0.0564","","","0.1037","0.1326","","","","","","0.95","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112203","11.1911","0.0011","11.1911","0.0011","25.406","0.004","90","","90","","120","","2755.6","0.6","373","2","373","2","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C38 H28 Fe N10 O0 -","- C38 H28 Fe N10 -","- C114 H84 Fe3 N30 -","3","0.5","","Wei Liu; Xin Bao; Ling-Ling Mao; Jiri Tucek; Radek Zboril; Jun-Liang Liu; Fu-Sheng Guo; Zhao-Ping Ni; Ming-Liang Tong","A chiral spin crossover metal-organic framework","Chem.Commun.","2014","50","","4059","","10.1039/C3CC48935C","","","0.71073","MoKα","","0.2056","0.1265","","","0.2141","0.2452","","","","","","1.071","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112204","11.0431","0.001","11.0431","0.001","25.478","0.005","90","","90","","120","","2690.8","0.6","293","2","293","2","","","","","","","","4","P 32 1 2","P 32 2 (0 0 2)","153","","","","- C38 H28 Fe N10 -","- C38 H28 Fe N10 -","- C114 H84 Fe3 N30 -","3","0.5","","Wei Liu; Xin Bao; Ling-Ling Mao; Jiri Tucek; Radek Zboril; Jun-Liang Liu; Fu-Sheng Guo; Zhao-Ping Ni; Ming-Liang Tong","A chiral spin crossover metal-organic framework","Chem.Commun.","2014","50","","4059","","10.1039/C3CC48935C","","","0.71073","MoKα","","0.1051","0.0798","","","0.196","0.2209","","","","","","1.079","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112205","6.997","0.0002","25.4831","0.0009","28.2642","0.0008","90","","92.712","0.002","90","","5034","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H35 Mn2 N O12 -","- C47 H35 Mn2 N O12 -","- C188 H140 Mn8 N4 O48 -","4","1","","Ru-Jin Li; Mian Li; Xiao-Ping Zhou; Dan Li; Michael O'Keeffe","A highly stable MOF with a rod SBU and a tetracarboxylate linker: unusual topology and CO2 adsorption behaviour under ambient conditions","Chem.Commun.","2014","50","","4047","","10.1039/C3CC49684H","","","0.71073","MoKα","","0.1418","0.1056","","","0.3062","0.3306","","","","","","1.17","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112206","8.5924","0.0014","10.4758","0.0018","10.797","0.002","97.496","0.015","111.36","0.017","90.383","0.014","895.8","0.3","293.8","0.1","293.8","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C42 H38 N2 O4 S2 -","2","1","","Xiaohui Fan; Hao Lv; Yong-Hong Guan; Hong-Bo Zhu; Xiao-Meng Cui; Kun Guo","Assembly of indenamine derivatives through in situ formed N-sulfonyliminium ion initiated cyclization","Chem.Commun.","2014","50","","4119","","10.1039/C4CC00310A","","","0.7107","MoKα","","0.078","0.0566","","","0.1392","0.1524","","","","","","1.104","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112207","10.2086","0.0005","7.3342","0.0006","23.4547","0.0012","90","","90","","90","","1756.1","0.19","301.19","0.1","301.19","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C84 H76 N4 O8 S4 -","4","1","","Xiaohui Fan; Hao Lv; Yong-Hong Guan; Hong-Bo Zhu; Xiao-Meng Cui; Kun Guo","Assembly of indenamine derivatives through in situ formed N-sulfonyliminium ion initiated cyclization","Chem.Commun.","2014","50","","4119","","10.1039/C4CC00310A","","","0.7107","MoKα","","0.0771","0.0492","","","0.0781","0.0909","","","","","","1.024","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112208","7.4749","0.0002","16.5165","0.0005","25.1847","0.0008","90","","90","","90","","3109.28","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C136 H136 N8 O24 S8 -","8","1","","Tao Shen; Yizhi Yuan; Song Song; Ning Jiao","Iron-catalyzed aerobic difunctionalization of alkenes: a highly efficient approach to construct oxindoles by C-S and C-C bond formation","Chem.Commun.","2014","50","","4115","","10.1039/C4CC00401A","","","0.71073","MoKα","","0.0385","0.0358","","","0.0947","0.098","","","","","","1.042","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112209","7.107","0.003","8.543","0.003","34.204","0.008","90","","95.99","0.02","90","","2065.4","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 O6 S -","- C22 H22 O6 S -","- C88 H88 O24 S4 -","4","1","","Gopal Sathishkannan; Kannupal Srinivasan","[3+3] Annulation of donor-acceptor cyclopropanes with mercaptoacetaldehyde: application to the synthesis of tetrasubstituted thiophenes","Chem.Commun.","2014","50","","4062","","10.1039/C4CC00565A","","","0.7107","MoKα","","0.114","0.0664","","","0.1251","0.142","","","","","","1.047","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112210","9.1","0.0001","9.215","0.0001","11.423","0.0002","81.718","0.001","70.637","0.001","77.634","0.001","879.97","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 F O3 S -","- C21 H16 F O3 S -","- C42 H32 F2 O6 S2 -","2","1","","Gopal Sathishkannan; Kannupal Srinivasan","[3+3] Annulation of donor-acceptor cyclopropanes with mercaptoacetaldehyde: application to the synthesis of tetrasubstituted thiophenes","Chem.Commun.","2014","50","","4062","","10.1039/C4CC00565A","","","0.71073","MoKα","","0.0377","0.0329","","","0.0912","0.0968","","","","","","1.05","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112211","35.2905","0.0011","24.1793","0.0008","35.0776","0.0012","90","","90","","90","","29931.7","1.7","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- O16 Se77 Sn42 -","- O16 Se77 Sn42 -","- O64 Se308 Sn168 -","4","0.5","","Qipu Lin; Xianhui Bub; Pingyun Feng","An infinite square lattice of super-supertetrahedral T6-like tin oxyselenide clusters","Chem.Commun.","2014","50","","4044","","10.1039/C4CC00583J","","","0.71073","MoKα","","0.1145","0.0518","","","0.1612","0.2016","","","","","","1.039","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112212","13.838","0.0001","23.1751","0.0002","9.8098","0.0001","90","","90","","90","","3145.97","0.05","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H15.14 N2 Se7 Sn3 -","- C9 H15.14 N2 Se7 Sn3 -","- C36 H60.56 N8 Se28 Sn12 -","4","1","","Qipu Lin; Xianhui Bub; Pingyun Feng","An infinite square lattice of super-supertetrahedral T6-like tin oxyselenide clusters","Chem.Commun.","2014","50","","4044","","10.1039/C4CC00583J","","","0.71073","MoKα","","0.0329","0.0305","","","0.0953","0.0965","","","","","","1.106","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112213","10.6731","0.0003","12.5422","0.0004","13.5332","0.0003","109.775","0.003","97.616","0.002","96.984","0.003","1662.62","0.09","183","2","183","2","","","","","","","","7","P -1","-P 1","2","[TcO3(Me3tach)][TcO4]","","","- C13 H32 Br4 Cl2 N6 O11 Tc4 -","- C13 H32 Br4 Cl2 N6 O11 Tc4 -","- C26 H64 Br8 Cl4 N12 O22 Tc8 -","2","1","","Henrik Braband; Michael Benz; Yuji Tooyama; Roger Alberto","Activation of [^99(m)^TcO4]^-^ by phosphonium cations","Chem.Commun.","2014","50","","4126","","10.1039/C4CC00718B","","","0.71073","MoKα","","0.0344","0.0286","","","0.0665","0.0691","","","","","","1.062","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112214","8.1706","0.0016","17.012","0.003","23.309","0.005","90","","91.9","0.03","90","","3238.1","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 Cl2 S8 -","- C33 H22 Cl2 S8 -","- C132 H88 Cl8 S32 -","4","1","","Zhongmin Zhou; Yunke Qin; Wei Xu; Daoben Zhu","Supramolecular association behavior of a strong C60 receptor with conjugated pentacene and tetrathiafulvalene moieties in solution and in the solid state","Chem.Commun.","2014","50","","4082","","10.1039/C4CC00741G","","","0.71073","MoKα","","0.09","0.0731","","","0.1355","0.1444","","","","","","1.154","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112215","15.613","0.003","16.742","0.003","21.236","0.004","90","","90","","90","","5550.9","1.8","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C92 H20 S8 -","- C92 H20 S8 -","- C368 H80 S32 -","4","0.5","","Zhongmin Zhou; Yunke Qin; Wei Xu; Daoben Zhu","Supramolecular association behavior of a strong C60 receptor with conjugated pentacene and tetrathiafulvalene moieties in solution and in the solid state","Chem.Commun.","2014","50","","4082","","10.1039/C4CC00741G","","","0.71073","MoKα","","0.0981","0.0953","","","0.2419","0.2442","","","","","","1.143","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112216","7.1797","0.0006","9.6308","0.001","11.5304","0.0012","103.804","0.003","93.978","0.003","95.999","0.005","766.34","0.13","103","2","103","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C34 H36 N4 O8 -","2","2","","Shaohua Xiang; Jingxi He; Jimei Ma; Xue-Wei Liu","One-pot synthesis of beta-N-glycosyl imidazole analogues via a palladium-catalysed decarboxylative allylation","Chem.Commun.","2014","50","","4222","","10.1039/C3CC48041K","","","0.71073","MoKα","","0.0552","0.0434","","","0.1017","0.1221","","","","","","1.06","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112217","21.4316","0.001","18.6779","0.0008","28.2587","0.0011","90","","92.868","0.004","90","","11297.7","0.8","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C55 H50 Cl2 N6 O10 P2 Pt2 -","- C55 H50 Cl2 N6 O10 P2 Pt2 -","- C440 H400 Cl16 N48 O80 P16 Pt16 -","8","1","","Yu-Man Ho; Ngan-Pan Bennett Au; Ka-Leung Wong; Chris Tsz-Leung Chan; Wai-Ming Kwok; Ga-Lai Law; Kwong-Kit Tang; Wai-Yeung Wong; Chi-Him Eddie Ma; Michael Hon-Wah Lam","A lysosome-specific two-photon phosphorescent binuclear cyclometalated platinum(II) probe for in vivo imaging of live neurons","Chem.Commun.","2014","50","","4161","","10.1039/C3CC48934E","","","1.54178","CuKα","","0.053","0.0511","","","0.1035","0.1043","","","","","","1.259","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112218","14.5144","0.0004","14.5144","0.0004","15.2404","0.0006","90","","90","","120","","2780.51","0.15","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C12 H54 Dy N11 O45 Zn6 -","- C12 H36 Dy N11 O44.98 Zn6 -","- C24 H72 Dy2 N22 O89.96 Zn12 -","2","0.166667","","Gang Xiong; Xiang-Yang Qin; Peng-Fei Shi; Yin-Ling Hou; Jian-Zhong Cui; Bin Zhao","New strategy to construct single-ion magnets: a unique Dy@Zn6 cluster exhibiting slow magnetic relaxation","Chem.Commun.","2014","50","","4255","","10.1039/C3CC49342C","","","0.7107","MoKα","","0.0347","0.0305","","","0.0813","0.0842","","","","","","1.085","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112219","14.4193","0.0006","14.4193","0.0006","15.0388","0.0007","90","","90","","120","","2707.9","0.2","122.1","0.1","122.1","0.1","","","","","","","","6","P 63/m","-P 6c","176","","","","- C12 H54 Er N11 O45 Zn6 -","- C12 H36 Er N11 O44.98 Zn6 -","- C24 H72 Er2 N22 O89.96 Zn12 -","2","0.166667","","Gang Xiong; Xiang-Yang Qin; Peng-Fei Shi; Yin-Ling Hou; Jian-Zhong Cui; Bin Zhao","New strategy to construct single-ion magnets: a unique Dy@Zn6 cluster exhibiting slow magnetic relaxation","Chem.Commun.","2014","50","","4255","","10.1039/C3CC49342C","","","0.7107","MoKα","","0.0434","0.0377","","","0.0919","0.0961","","","","","","1.061","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112220","19.249","0.005","11.102","0.003","8.547","0.002","90","","106.665","0.004","90","","1749.8","0.8","293.1","","293.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 N2 O2 S -","- C22 H14 N2 O2 S -","- C88 H56 N8 O8 S4 -","4","0.5","","Yongfa Xie; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga","Thiadiazole dioxide-fused picene: acceptor ability, anion radical formation, and n-type charge transport characteristics","Chem.Commun.","2014","50","","4178","","10.1039/C3CC49500K","","","0.7107","MoKα","","","0.0349","","","","0.0893","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112221","15.341","0.006","8.425","0.003","23.966","0.01","90","","90","","90","","3098","2","123.1","","123.1","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H12 N2 O2 S -","- C22 H12 N2 O2 S -","- C176 H96 N16 O16 S8 -","8","1","","Yongfa Xie; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga","Thiadiazole dioxide-fused picene: acceptor ability, anion radical formation, and n-type charge transport characteristics","Chem.Commun.","2014","50","","4178","","10.1039/C3CC49500K","","","0.7107","MoKα","","","0.1097","","","","0.2642","","","","","","1.126","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112222","7.175","0.004","10.612","0.005","10.682","0.005","97.969","0.009","92.937","0.008","97.683","0.009","796.2","0.7","173.1","","173.1","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 N2 O2 S -","- C22 H12 N2 O2 S -","- C44 H24 N4 O4 S2 -","2","1","","Yongfa Xie; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga","Thiadiazole dioxide-fused picene: acceptor ability, anion radical formation, and n-type charge transport characteristics","Chem.Commun.","2014","50","","4178","","10.1039/C3CC49500K","","","0.7107","MoKα","","","0.0535","","","","0.1515","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112223","10.225","0.003","11.268","0.003","12.197","0.003","109.697","0.004","105.927","0.0018","92.225","0.003","1258.8","0.6","173.1","","173.1","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N3 O2 S -","- C30 H32 N3 O2 S -","- C60 H64 N6 O4 S2 -","2","1","","Yongfa Xie; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga","Thiadiazole dioxide-fused picene: acceptor ability, anion radical formation, and n-type charge transport characteristics","Chem.Commun.","2014","50","","4178","","10.1039/C3CC49500K","","","0.7107","MoKα","","","0.0414","","","","0.1106","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112224","47.493","0.002","51.7515","0.0019","32.9674","0.0014","90","","92.69","0.004","90","","80939","6","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H36 Cu3 O15 -","- C66 H36.0003 Cu3 O15 -","- C1056 H576.005 Cu48 O240 -","16","2","","Nianyong Zhu; Matthew J. Lennox; Tina Duren; Wolfgang Schmitt","Polymorphism of metal-organic frameworks: direct comparison of structures and theoretical N2-uptake of topological pto- and tbo-isomers","Chem.Commun.","2014","50","","4207","","10.1039/C3CC49829H","","","1.54184","CuKα","","0.1219","0.0794","","","0.2018","0.2184","","","","","","0.901","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112225","71.4","0.008","42.999","0.004","42.569","0.004","90","","126.08","0.02","90","","105625","3","220","2","220","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C66 H36 Cu3 O15 -","- C66 H36.0001 Cu3 O15 -","- C1056 H576.002 Cu48 O240 -","16","2","","Nianyong Zhu; Matthew J. Lennox; Tina Duren; Wolfgang Schmitt","Polymorphism of metal-organic frameworks: direct comparison of structures and theoretical N2-uptake of topological pto- and tbo-isomers","Chem.Commun.","2014","50","","4207","","10.1039/C3CC49829H","","","1.54184","CuKα","","0.1292","0.0609","","","0.1273","0.1405","","","","","","0.769","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112226","5.1332","0.0014","35.283","0.01","7.131","0.002","90","","101.075","0.005","90","","1267.5","0.6","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C60 H48 N8 O12 -","4","1","","Hongji Li; Xiaoyu Xie; Lei Wang","Ruthenium-catalyzed alkenylation of azoxybenzenes with alkenes through ortho-selective C-H activation","Chem.Commun.","2014","50","","4218","","10.1039/C4CC00449C","","","0.71073","MoKα","","0.1012","0.0847","","","0.2451","0.2559","","","","","","1.155","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112227","11.4761","0.0016","10.7521","0.0015","8.2871","0.0012","90","","94.476","0.005","90","","1019.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C44 H40 F12 N4 O4 -","4","1","","Qin Zeng; Li Zhang; Jieru Yang; Bing Xu; Yuanjing Xiao; Junliang Zhang","Pyrroles versus cyclic nitrones: catalyst-controlled divergent cyclization of N-(2-perfluoroalkyl-3-alkynyl) hydroxylamines","Chem.Commun.","2014","50","","4203","","10.1039/C4CC00493K","","","0.71073","MoKα","","0.0537","0.0389","","","0.0978","0.1085","","","","","","1.034","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112228","5.3837","0.0008","7.6085","0.0012","22.521","0.003","90","","92.952","0.005","90","","921.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 F3 N -","- C11 H8 F3 N -","- C44 H32 F12 N4 -","4","1","","Qin Zeng; Li Zhang; Jieru Yang; Bing Xu; Yuanjing Xiao; Junliang Zhang","Pyrroles versus cyclic nitrones: catalyst-controlled divergent cyclization of N-(2-perfluoroalkyl-3-alkynyl) hydroxylamines","Chem.Commun.","2014","50","","4203","","10.1039/C4CC00493K","","","0.71073","MoKα","","0.0885","0.0733","","","0.1458","0.152","","","","","","1.186","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112229","11.455","0.002","11.918","0.002","14.701","0.003","111.716","0.006","100.424","0.006","107.197","0.006","1683.2","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F3 N O2 S -","- C18 H14 F3 N O2 S -","- C72 H56 F12 N4 O8 S4 -","4","2","","Qin Zeng; Li Zhang; Jieru Yang; Bing Xu; Yuanjing Xiao; Junliang Zhang","Pyrroles versus cyclic nitrones: catalyst-controlled divergent cyclization of N-(2-perfluoroalkyl-3-alkynyl) hydroxylamines","Chem.Commun.","2014","50","","4203","","10.1039/C4CC00493K","","","0.71073","MoKα","","0.0846","0.0607","","","0.162","0.1776","","","","","","1.09","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112230","13.497","0.004","30.191","0.009","18.4","0.006","90","","109.848","0.006","90","","7052","4","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H80 Ge8 K4 Mo2 N2 O24 -","- C44 H72 Ge8 K4 Mo2 N2 O24 -","- C176 H288 Ge32 K16 Mo8 N8 O96 -","4","1","","Yi Wang; Qian Qin; Jinyun Wang; Ruili Sang; Li Xu","[Ge8(Mo(CO)3)2]^4-^: an unprecedented 20-electron empty ten-vertex Zintl cluster","Chem.Commun.","2014","50","","4181","","10.1039/C4CC00518J","","","0.71073","MoKα","","0.0628","0.0515","","","0.1109","0.1165","","","","","","1.047","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112231","9.595","0.004","11.379","0.005","12.774","0.006","81.149","0.007","72.684","0.007","67.299","0.007","1227.1","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O -","- C33 H25 N O -","- C66 H50 N2 O2 -","2","1","","Jie Sheng; Congbin Fan; Yechun Ding; Xiaona Fan; Jie Wu","A silver(I) triflate-catalyzed reaction of 1-((cyclopropylidenemethyl)-2-alkynyl)arene with 2-alkynylbenzaldoxime","Chem.Commun.","2014","50","","4188","","10.1039/C4CC00691G","","","0.71073","MoKα","","0.1544","0.0501","","","0.0942","0.1132","","","","","","0.75","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7112232","9.3091","0.0014","7.8112","0.0012","13.619","0.002","90","","100.71","0.002","90","","973.1","0.3","90","2","90","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","90K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Emile R. Engel; Vincent J. Smith; Charl X. Bezuidenhout; Leonard J. Barbour","Uniaxial negative thermal expansion facilitated by weak host-guest interactions","Chem.Commun.","2014","50","","4238","","10.1039/C4CC00849A","","x-ray","0.71073","MoKα","","0.0356","0.0316","","","0.0845","0.0872","","","","","","1.099","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7112233","9.2976","0.0013","7.8579","0.0011","13.6419","0.0019","90","","100.755","0.002","90","","979.2","0.2","120","2","120","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","120K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Emile R. Engel; Vincent J. Smith; Charl X. Bezuidenhout; Leonard J. Barbour","Uniaxial negative thermal expansion facilitated by weak host-guest interactions","Chem.Commun.","2014","50","","4238","","10.1039/C4CC00849A","","","0.71073","MoKα","","0.0382","0.0333","","","0.0872","0.0907","","","","","","1.079","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7112234","9.2849","0.0012","7.9079","0.001","13.6739","0.0018","90","","100.818","0.002","90","","986.2","0.2","150","2","150","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","150K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Emile R. Engel; Vincent J. Smith; Charl X. Bezuidenhout; Leonard J. Barbour","Uniaxial negative thermal expansion facilitated by weak host-guest interactions","Chem.Commun.","2014","50","","4238","","10.1039/C4CC00849A","","","0.71073","MoKα","","0.0465","0.0377","","","0.0965","0.1017","","","","","","1.087","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7112235","9.2668","0.0013","7.9623","0.0011","13.7151","0.0019","90","","100.907","0.002","90","","993.7","0.2","180","2","180","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","180K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Emile R. Engel; Vincent J. Smith; Charl X. Bezuidenhout; Leonard J. Barbour","Uniaxial negative thermal expansion facilitated by weak host-guest interactions","Chem.Commun.","2014","50","","4238","","10.1039/C4CC00849A","","x-ray","0.71073","MoKα","","0.0492","0.0406","","","0.1031","0.1087","","","","","","1.085","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7112236","9.2363","0.0013","8.0254","0.0011","13.7678","0.0019","90","","101.054","0.002","90","","1001.6","0.2","210","2","210","2","","","101.3","","","","Sigma","4","P 1 21/n 1","-P 2yn","14","210K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Emile R. Engel; Vincent J. Smith; Charl X. Bezuidenhout; Leonard J. Barbour","Uniaxial negative thermal expansion facilitated by weak host-guest interactions","Chem.Commun.","2014","50","","4238","","10.1039/C4CC00849A","","x-ray","0.71073","MoKα","","0.0602","0.0472","","","0.1224","0.1311","","","","","","1.067","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7112237","9.1902","0.0015","8.1108","0.0013","13.853","0.002","90","","101.313","0.002","90","","1012.5","0.3","240","2","240","2","","","101.3","","","","Sigma","4","P 1 21/n 1","-P 2yn","14","240K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Emile R. Engel; Vincent J. Smith; Charl X. Bezuidenhout; Leonard J. Barbour","Uniaxial negative thermal expansion facilitated by weak host-guest interactions","Chem.Commun.","2014","50","","4238","","10.1039/C4CC00849A","","x-ray","0.71073","MoKα","","0.0821","0.0604","","","0.1757","0.193","","","","","","1.113","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7112238","9.1488","0.0015","8.1812","0.0013","13.928","0.002","90","","101.529","0.002","90","","1021.5","0.3","260","2","260","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","260K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Emile R. Engel; Vincent J. Smith; Charl X. Bezuidenhout; Leonard J. Barbour","Uniaxial negative thermal expansion facilitated by weak host-guest interactions","Chem.Commun.","2014","50","","4238","","10.1039/C4CC00849A","","x-ray","0.71073","MoKα","","0.1035","0.0737","","","0.2245","0.2492","","","","","","1.084","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7112239","9.1231","0.0014","8.2311","0.0013","13.982","0.002","90","","101.676","0.002","90","","1028.2","0.3","273","2","273","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","273K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Emile R. Engel; Vincent J. Smith; Charl X. Bezuidenhout; Leonard J. Barbour","Uniaxial negative thermal expansion facilitated by weak host-guest interactions","Chem.Commun.","2014","50","","4238","","10.1039/C4CC00849A","","x-ray","0.71073","MoKα","","0.1167","0.0823","","","0.2599","0.2926","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7112240","8.9459","0.0004","8.4921","0.0003","14.2485","0.0005","90","","107.082","0.002","90","","1034.7","0.07","90","2","90","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","90K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Emile R. Engel; Vincent J. Smith; Charl X. Bezuidenhout; Leonard J. Barbour","Uniaxial negative thermal expansion facilitated by weak host-guest interactions","Chem.Commun.","2014","50","","4238","","10.1039/C4CC00849A","","x-ray","0.71073","MoKα","","0.0165","0.0154","","","0.0386","0.0391","","","","","","1.052","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7112241","9.0683","0.0003","8.6955","0.0002","14.2945","0.0005","90","","106.751","0.002","90","","1079.34","0.06","273","2","273","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","273K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Emile R. Engel; Vincent J. Smith; Charl X. Bezuidenhout; Leonard J. Barbour","Uniaxial negative thermal expansion facilitated by weak host-guest interactions","Chem.Commun.","2014","50","","4238","","10.1039/C4CC00849A","","x-ray","0.71073","MoKα","","0.0512","0.0353","","","0.0797","0.0878","","","","","","1.026","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7112242","11.5135","0.0004","9.2502","0.0003","23.8167","0.0009","90","","100.173","0.001","90","","2496.65","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Fe N2 -","- C15 H14 Fe N2 -","- C120 H112 Fe8 N16 -","8","2","","Kristina Huttinger; Christoph Forster; Katja Heinze","Intramolecular electron transfer between molybdenum and iron mimicking bacterial sulphite dehydrogenase","Chem.Commun.","2014","50","","4285","","10.1039/C3CC46919K","","","0.71073","MoKα","","0.0665","0.0336","","","0.0695","0.0756","","","","","","0.898","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112243","10.5484","0.0003","15.341","0.0004","34.5525","0.001","90","","96.912","0.002","90","","5550.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31.75 H28 Fe2 Mo N4 O2 -","- C31.75 H28 Fe2 Mo N4 O2 -","- C254 H224 Fe16 Mo8 N32 O16 -","8","2","","Kristina Huttinger; Christoph Forster; Katja Heinze","Intramolecular electron transfer between molybdenum and iron mimicking bacterial sulphite dehydrogenase","Chem.Commun.","2014","50","","4285","","10.1039/C3CC46919K","","","0.71073","MoKα","","0.0556","0.0336","","","0.0737","0.0787","","","","","","0.931","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112244","9.4508","0.0003","12.8668","0.0005","17.0426","0.0005","90","","90","","90","","2072.41","0.12","294.2","0.3","294.2","0.3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 Cl3 N2 -","- C22 H15 Cl3 N2 -","- C88 H60 Cl12 N8 -","4","1","","Guoying Zhang; Hui Yu; Guiping Qin; Hanmin Huang","Rh-Catalyzed oxidative C-H activation/annulation: converting anilines to indoles using molecular oxygen as the sole oxidant","Chem.Commun.","2014","50","","4331","","10.1039/C3CC49751H","","","0.7107","MoKα","","0.094","0.0665","","","0.1652","0.194","","","","","","1.041","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112245","13.0229","0.0014","11.9754","0.0012","15.154","0.0015","90","","93.283","0.004","90","","2359.5","0.4","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H72 Ag Br N10 -","- C44 H72 Ag Br N10 -","- C88 H144 Ag2 Br2 N20 -","2","1","","Chia-Cheng Tai; Ming-Shiuan Yu; Yi-Lin Chen; Wen-Hang Chuang; Ting-Hua Lin; Glenn P. A. Yap; Tiow-Gan Ong","Synthesis of a guanidine NHC complex and its application in borylation reactions","Chem.Commun.","2014","50","","4344","","10.1039/C4CC00550C","","","0.71073","MoKα","","0.1092","0.0824","","","0.1964","0.2196","","","","","","1.021","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112246","9.4056","0.0001","10.6321","0.0002","12.2114","0.0002","89.467","0.001","81.914","0.001","84.451","0.001","1203.34","0.03","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H35 Cl Cu N5 -","- C22 H35 Cl Cu N5 -","- C44 H70 Cl2 Cu2 N10 -","2","1","","Chia-Cheng Tai; Ming-Shiuan Yu; Yi-Lin Chen; Wen-Hang Chuang; Ting-Hua Lin; Glenn P. A. Yap; Tiow-Gan Ong","Synthesis of a guanidine NHC complex and its application in borylation reactions","Chem.Commun.","2014","50","","4344","","10.1039/C4CC00550C","","","0.71073","MoKα","","0.0234","0.0223","","","0.0623","0.0631","","","","","","1.053","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112247","10.5097","0.001","13.3588","0.0014","16.9068","0.0017","87.901","0.004","89.867","0.004","82.976","0.004","2354.3","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","Binaph-P2-NMe2 (3)","(1S)-[1,1'-Binaphthalene]-2,2'-diamine,N2,N2'-bis([tris-(dimethylamino)phosphazenyl]bis(dimethylamino)phosphoranylidene)","","- C40 H72 N14 P4 -","- C40 H72 N14 P4 -","- C80 H144 N28 P8 -","2","2","","Julius F. Kogel; Nis-Julian Kneusels; Jorg Sundermeyer","Two C2-symmetric chelating P2-bisphosphazene superbases connected via a binaphthyl backbone - synthesis, structural features and preparation of a cationic alkyl aluminum complex","Chem.Commun.","2014","50","","4319","","10.1039/C4CC00773E","","","0.71069","MoKα","","0.0801","0.0667","","","0.1647","0.1754","","","","","","1.08","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112248","10.751","0.003","33.1","0.007","10.9","0.003","90","","116.309","0.013","90","","3477.1","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Binaph-P2-Pyrx2AlMe3 ([4-AlMe2]+[AlMe4]-)","(1S)-[1,1'-Binaphthalene]-2,2'-diamine,N2,N2'-bis([tris-(pyrrolidinyl)phosphazenyl]bis(pyrrolidinyl)phosphoranylidene) x 2AlMe3","","- C66 H110 Al2 N14 P4 -","- C66 H110 Al2 N14 P4 -","- C132 H220 Al4 N28 P8 -","2","1","","Julius F. Kogel; Nis-Julian Kneusels; Jorg Sundermeyer","Two C2-symmetric chelating P2-bisphosphazene superbases connected via a binaphthyl backbone - synthesis, structural features and preparation of a cationic alkyl aluminum complex","Chem.Commun.","2014","50","","4319","","10.1039/C4CC00773E","","","0.71073","MoKα","","0.122","0.0702","","","0.1429","0.1675","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7112249","8.1153","0.0005","9.5111","0.0006","13.1754","0.0009","108.141","0.005","92.459","0.005","94.663","0.005","960.7","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(Pyr)3P=N-P(Pyr)2Br2 (1)","[tris(pyrrolidinyl)phosphazenyl]bis(pyrrolidinyl)bromophosphonium bromide","","- C10 H30 Br2 N6 P2 -","- C10 H30 Br2 N6 P2 -","- C20 H60 Br4 N12 P4 -","2","1","","Julius F. Kogel; Nis-Julian Kneusels; Jorg Sundermeyer","Two C2-symmetric chelating P2-bisphosphazene superbases connected via a binaphthyl backbone - synthesis, structural features and preparation of a cationic alkyl aluminum complex","Chem.Commun.","2014","50","","4319","","10.1039/C4CC00773E","","","0.71073","MoKα","","0.0313","0.0258","","","0.0583","0.0599","","","","","","1.011","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112250","12.5583","0.0002","31.0602","0.0006","47.1556","0.0008","90","","90","","90","","18393.7","0.6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C116 H78 N7 O10 P Si2 -","- C116 H78 N7 O10 P Si2 -","- C928 H624 N56 O80 P8 Si16 -","8","1","","Taniyuki Furuyama; Yusuke Sugiya; Nagao Kobayashi","Synthesis of a tetrabenzotriazacorrole mu-oxo dimer and investigation of its stacking effect","Chem.Commun.","2014","50","","4312","","10.1039/C4CC01115E","","","1.54187","CuKα","","0.1378","0.0974","","","0.2795","0.3134","","","","","","1.035","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112251","9.31","0.002","16.566","0.004","18.804","0.004","88.88","0.019","87.593","0.019","77.702","0.018","2830.9","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H116 P28 Si16 -","- C69 H116 P28 Si16 -","- C69 H116 P28 Si16 -","1","0.5","","Michael Feierabend; Carsten von Hanisch","Branched tetrasilane substituted phosphines ‒ synthesis and characterisation of PhSi(SiiPr2)3P and {PhSi(SiMe2)3}2P14","Chem.Commun.","2014","50","","4416","","10.1039/C4CC00165F","","","0.71073","MoKα","","0.1656","0.0716","","","0.1586","0.1803","","","","","","0.742","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112252","9.164","0.003","10.207","0.003","16.441","0.009","92.88","0.04","94.84","0.04","110.34","0.02","1431.6","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H47 P Si4 -","- C24 H47 P Si4 -","- C48 H94 P2 Si8 -","2","1","","Michael Feierabend; Carsten von Hanisch","Branched tetrasilane substituted phosphines ‒ synthesis and characterisation of PhSi(SiiPr2)3P and {PhSi(SiMe2)3}2P14","Chem.Commun.","2014","50","","4416","","10.1039/C4CC00165F","","","0.71073","MoKα","","0.0289","0.0247","","","0.0657","0.0673","","","","","","1.036","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112253","10.8761","0.0004","16.8932","0.0007","17.0103","0.0007","98.653","0.003","92.241","0.003","96.04","0.003","3067.8","0.2","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H47 Cl3 Si4 -","- C24 H47 Cl3 Si4 -","- C96 H188 Cl12 Si16 -","4","2","","Michael Feierabend; Carsten von Hanisch","Branched tetrasilane substituted phosphines ‒ synthesis and characterisation of PhSi(SiiPr2)3P and {PhSi(SiMe2)3}2P14","Chem.Commun.","2014","50","","4416","","10.1039/C4CC00165F","","","0.71073","MoKα","","0.0885","0.0489","","","0.1031","0.1128","","","","","","0.899","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112254","32.6322","0.0013","27.6208","0.0011","44.2453","0.0017","90","","97.087","0.002","90","","39575","3","100","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","PGC4GaCd","","","- C270 H452 Cd3 Ga17 N4 O152 -","- C268 H264 Cd3 Ga17 N4 O151.8 -","- C1072 H1056 Cd12 Ga68 N16 O607.2 -","4","0.5","","Ping Jin; Harshita Kumari; Stuart Kennedy; Charles L. Barnes; Simon J. Teat; Scott J. Dalgarno; Jerry L. Atwood","Structural alteration of the metal-organic pyrogallol[4]arene nano-capsule motif by incorporation of large metal centres","Chem.Commun.","2014","50","","4508","","10.1039/C4CC00202D","","","0.7749","synchrotron","","0.1528","0.1095","","","0.3085","0.3413","","","","","","1.31","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112255","9.448","0.0007","14.94","0.001","28.8691","0.0015","90","","90","","90","","4075","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Br N O2 -","- C13 H16 Br N O2 -","- C156 H192 Br12 N12 O24 -","12","3","","Min Zhang; Xiaoming Zhao; Shengcai Zheng","Enantioselective domino reaction of CO2, amines and allyl chlorides under iridium catalysis: formation of allyl carbamates","Chem.Commun.","2014","50","","4455","","10.1039/C4CC00413B","","","1.54178","CuKα","","0.1106","0.1024","","","0.268","0.2743","","","","","","1.118","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112256","10.7903","0.0011","8.3733","0.0005","10.857","0.0009","90","","110.884","0.01","90","","916.49","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 Br O2 -","- C20 H21 Br O2 -","- C40 H42 Br2 O4 -","2","1","","Binjie Guo; Chunling Fu; Shengming Ma","Asymmetric semipinacol rearrangement of 2,3-allenols with N-bromo-1,8-naphthalimide","Chem.Commun.","2014","50","","4445","","10.1039/C4CC00767K","","","0.71073","MoKα","","0.0723","0.0472","","","0.0921","0.1047","","","","","","1.019","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112257","14.3107","0.0005","11.4723","0.0004","20.2029","0.0007","90","","108.029","0.0018","90","","3153.98","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Fe2 O4 P2 -","- C34 H40 Fe2 O4 P2 -","- C136 H160 Fe8 O16 P8 -","4","1","","Kyle T. Horak; Alexandra Velian; Michael W. Day; Theodor Agapie","Arene non-innocence in dinuclear complexes of Fe, Co, and Ni supported by a para-terphenyl diphosphine","Chem.Commun.","2014","50","","4427","","10.1039/C4CC00838C","","","0.71073","MoKα","","0.0421","0.0283","","","0.0976","0.1165","","","","","","0.89","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112258","10.0645","0.0004","11.1061","0.0005","32.262","0.0014","90","","91.975","0.002","90","","3604","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H46 Co2 O3 P2 -","- C39 H46 Co2 O3 P2 -","- C156 H184 Co8 O12 P8 -","4","1","","Kyle T. Horak; Alexandra Velian; Michael W. Day; Theodor Agapie","Arene non-innocence in dinuclear complexes of Fe, Co, and Ni supported by a para-terphenyl diphosphine","Chem.Commun.","2014","50","","4427","","10.1039/C4CC00838C","","","0.71073","MoKα","","0.0685","0.0373","","","0.0624","0.065","","","","","","1.517","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7112259","8.8633","0.0004","15.6066","0.0007","27.1663","0.0012","90","","98.31","0.002","90","","3718.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 F6 Fe2 O4.5 P3 -","- C36 H44 F6 Fe2 O4.5 P3 -","- C144 H176 F24 Fe8 O18 P12 -","4","1","","Kyle T. Horak; Alexandra Velian; Michael W. Day; Theodor Agapie","Arene non-innocence in dinuclear complexes of Fe, Co, and Ni supported by a para-terphenyl diphosphine","Chem.Commun.","2014","50","","4427","","10.1039/C4CC00838C","","","0.71073","MoKα","","0.0322","0.0267","","","0.0732","0.0751","","","","","","1.602","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112260","14.1146","0.0004","15.1785","0.0004","15.6","0.0004","90","","115.38","0.0011","90","","3019.56","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Ni2 O3 P2 -","- C33 H40 Ni2 O3 P2 -","- C132 H160 Ni8 O12 P8 -","4","1","","Kyle T. Horak; Alexandra Velian; Michael W. Day; Theodor Agapie","Arene non-innocence in dinuclear complexes of Fe, Co, and Ni supported by a para-terphenyl diphosphine","Chem.Commun.","2014","50","","4427","","10.1039/C4CC00838C","","","0.71073","MoKα","","0.0409","0.0321","","","0.109","0.1222","","","","","","0.983","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112261","24.119","0.002","10.2056","0.0007","10.8193","0.0007","90","","91.64","0.006","90","","2662.1","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23.2 H20.8 Cu2 N6.4 O8.4 -","- C23.2 H20.8 Cu2 N6.4 O8.4 -","- C92.8 H83.2 Cu8 N25.6 O33.6 -","4","0.5","","Jing-Yuan Ge; Jian-Cheng Wang; Jun-Yan Cheng; Peng Wang; Jian-Ping Ma; Qi-Kui Liu; Yu-Bin Dong","Oxygen and methanol mediated irreversible coordination polymer structural transformation from a 3D Cu(I)-framework to a 1D Cu(II)-chain","Chem.Commun.","2014","50","","4434","","10.1039/C4CC00857J","","","0.71073","MoKα","","0.1142","0.092","","","0.2582","0.2788","","","","","","1.127","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112262","8.281","0.003","15.288","0.006","18.093","0.007","90","","96.566","0.005","90","","2275.5","1.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Cu N5 O6 -","- C23 H21 Cu N5 O6 -","- C92 H84 Cu4 N20 O24 -","4","1","","Jing-Yuan Ge; Jian-Cheng Wang; Jun-Yan Cheng; Peng Wang; Jian-Ping Ma; Qi-Kui Liu; Yu-Bin Dong","Oxygen and methanol mediated irreversible coordination polymer structural transformation from a 3D Cu(I)-framework to a 1D Cu(II)-chain","Chem.Commun.","2014","50","","4434","","10.1039/C4CC00857J","","","0.71073","MoKα","","0.0574","0.0411","","","0.1123","0.1192","","","","","","0.965","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112263","10.225","0.0017","17.76","0.003","17.334","0.003","90","","103.682","0.002","90","","3058.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Cl5 N2 Nb -","- C27 H36 Cl5 N2 Nb -","- C108 H144 Cl20 N8 Nb4 -","4","1","","Marco Bortoluzzi; Eleonora Ferretti; Fabio Marchetti; Guido Pampaloni; Stefano Zacchini","A structurally-characterized NbCl5-NHC adduct","Chem.Commun.","2014","50","","4472","","10.1039/C4CC01575D","","","0.71073","MoKα","","0.131","0.1049","","","0.196","0.2121","","","","","","1.121","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112264","9.8024","0.0004","10.2502","0.0003","11.0769","0.0003","91.745","0.002","108.985","0.003","92.31","0.003","1050.45","0.06","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 B N2 O6 -","- C19 H27 B N2 O6 -","- C38 H54 B2 N4 O12 -","2","1","","Guo, Rui; Li, Kang-Nan; Liu, Bin; Zhu, Hua-Jie; Fan, Yu-Meng; Gong, Liu-Zhu","Asymmetric synthesis of heteroaryl atropisomers via a gold-catalyzed cycloisomerization-amination cascade reaction.","Chemical communications (Cambridge, England)","2014","50","41","5451","5454","10.1039/c4cc01397b","","","1.54184","CuKα","","0.0469","0.0448","","","0.1269","0.1295","","","","","","1.045","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112265","17.8029","0.0003","17.8029","0.0003","29.2271","0.0007","90","","90","","90","","9263.3","0.3","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","catena-(dodecakis(μ~3~-4,5-diamide-2-olato-imidazolato)-(μ-~6~oxo)-tetra- aqua-dihydroxo-tetradeca-zinc(II)) dimethylformamide solvate","","- C14.5 H22.25 Co1.75 N8.5 O7.375 -","- C8.5 H8.25 Co1.75 N6.5 O5.375 -","- C136 H132 Co28 N104 O86 -","16","1","","Mondal, Suvendu Sekhar; Bhunia, Asamanjoy; Kelling, Alexandra; Schilde, Uwe; Janiak, Christoph; Holdt, Hans-Jürgen","A supramolecular Co(ii)14-metal-organic cube in a hydrogen-bonded network and a Co(ii)-organic framework with a flexible methoxy substituent.","Chemical communications (Cambridge, England)","2014","50","41","5441","5443","10.1039/c3cc49698h","","","0.71073","MoKα","","0.0689","0.0623","","","0.175","0.1815","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112266","9.29","0.0012","13.621","0.0017","16.021","0.002","90","","91.45","0.003","90","","2026.6","0.4","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 P2 S -","- C24 H20 P2 S -","- C96 H80 P8 S4 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","A sulfur mimic of 1,1-bis(diphenylphosphino)methane: a new ligand opens up.","Chemical communications (Cambridge, England)","2014","50","36","4707","4710","10.1039/c3cc49456j","","","0.71073","MoKα","","0.0313","0.0287","","","0.0765","0.0788","","","","","","1.042","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112267","10.6898","0.0009","21.4377","0.0019","11.299","0.001","90","","110.251","0.002","90","","2429.3","0.4","147","2","147","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 P2 S -","- C24 H44 P2 S -","- C96 H176 P8 S4 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","A sulfur mimic of 1,1-bis(diphenylphosphino)methane: a new ligand opens up.","Chemical communications (Cambridge, England)","2014","50","36","4707","4710","10.1039/c3cc49456j","","","0.71073","MoKα","","0.0549","0.0433","","","0.1094","0.1171","","","","","","1.029","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112268","28.8822","0.0009","17.6795","0.0006","15.4946","0.0005","90","","105.449","0.001","90","","7626","0.4","147","2","147","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H49 Cl O P2 Ru S -","- C40.5 H49 Cl O P2 Ru S -","- C324 H392 Cl8 O8 P16 Ru8 S8 -","8","2","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","A sulfur mimic of 1,1-bis(diphenylphosphino)methane: a new ligand opens up.","Chemical communications (Cambridge, England)","2014","50","36","4707","4710","10.1039/c3cc49456j","","","1.54178","CuKα","","0.0493","0.0471","","","0.1198","0.121","","","","","","1.138","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112269","9.5879","0.0007","20.4899","0.0014","17.4167","0.0012","90","","95.8","0.002","90","","3404.1","0.4","147","2","147","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H59 Cl P2 Ru S -","- C34 H59 Cl P2 Ru S -","- C136 H236 Cl4 P8 Ru4 S4 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","A sulfur mimic of 1,1-bis(diphenylphosphino)methane: a new ligand opens up.","Chemical communications (Cambridge, England)","2014","50","36","4707","4710","10.1039/c3cc49456j","","","0.71073","MoKα","","0.0508","0.0334","","","0.0725","0.0786","","","","","","1.038","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112270","11.9425","0.001","19.3668","0.0017","21.7142","0.0018","90","","95.243","0.002","90","","5001.2","0.7","230","2","230","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H56 F3 O4 P3 Ru S2 -","- C51 H56 F3 O4 P3 Ru S2 -","- C204 H224 F12 O16 P12 Ru4 S8 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","A sulfur mimic of 1,1-bis(diphenylphosphino)methane: a new ligand opens up.","Chemical communications (Cambridge, England)","2014","50","36","4707","4710","10.1039/c3cc49456j","","","0.71073","MoKα","","0.0577","0.0376","","","0.0874","0.0968","","","","","","1.011","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112271","12.0971","0.0012","19.4201","0.0019","20.657","0.002","90","","94.114","0.003","90","","4840.4","0.8","147","2","147","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H58 F3 O4 P3 Ru S -","- C51 H58 F3 O4 P3 Ru S -","- C204 H232 F12 O16 P12 Ru4 S4 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","A sulfur mimic of 1,1-bis(diphenylphosphino)methane: a new ligand opens up.","Chemical communications (Cambridge, England)","2014","50","36","4707","4710","10.1039/c3cc49456j","","","0.71073","MoKα","","0.0385","0.0308","","","0.0747","0.0805","","","","","","1.032","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112272","20.3073","0.0013","10.8593","0.0004","25.026","0.002","90","","110.129","0.008","90","","5181.7","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H19 Ga N2 O6.5 -","- C30 H19 Ga N2 O6.5 -","- C240 H152 Ga8 N16 O52 -","8","1","","Ming Wang, Xin; Qing Fan, Rui; Sheng Qiang, Liang; Qi Li, Wei; Wang, Ping; Jie Zhang, Hui; Lin Yang, Yu","Tunable luminescence from rare 2D Ga(iii)/In(iii) coordination polymers coexisting with three different conjugated system aromatic ligands.","Chemical communications (Cambridge, England)","2014","50","39","5023","5026","10.1039/c3cc48867e","","","0.71073","MoKα","","0.1214","0.0844","","","0.2374","0.2698","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112273","20.347","0.004","10.869","0.002","25.052","0.005","90","","110.29","0.03","90","","5197","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H19 In N2 O6.5 -","- C30 H19 In N2 O6.5 -","- C240 H152 In8 N16 O52 -","8","1","","Ming Wang, Xin; Qing Fan, Rui; Sheng Qiang, Liang; Qi Li, Wei; Wang, Ping; Jie Zhang, Hui; Lin Yang, Yu","Tunable luminescence from rare 2D Ga(iii)/In(iii) coordination polymers coexisting with three different conjugated system aromatic ligands.","Chemical communications (Cambridge, England)","2014","50","39","5023","5026","10.1039/c3cc48867e","","","0.71073","MoKα","","0.0999","0.0542","","","0.1388","0.1695","","","","","","0.962","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112274","28.1527","0.0016","28.1527","0.0016","41.07","0.004","90","","90","","90","","32551","4","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C30 H18 Cu3 N10 O15 -","- C30 H12 Cu3 N10 O15 -","- C480 H192 Cu48 N160 O240 -","16","1","","Liu, Kang; Li, Baiyan; Li, Yi; Li, Xu; Yang, Fen; Zeng, Guang; Peng, Yu; Zhang, Zhijuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua; Song, Datong","An N-rich metal-organic framework with an rht topology: high CO2 and C2 hydrocarbons uptake and selective capture from CH4.","Chemical communications (Cambridge, England)","2014","50","39","5031","5033","10.1039/c4cc00375f","","","0.71073","MoKα","","0.0636","0.0481","","","0.1246","0.13","","","","","","0.994","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112275","18.981","0.006","12.104","0.004","38.971","0.013","90","","95.486","0.005","90","","8912","5","298","2","298","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C48 H50 Ag2 Cu2 F6 N12 O5 Sb -","- C48 H50 Ag2 Cu2 F6 N12 O5 Sb -","- C192 H200 Ag8 Cu8 F24 N48 O20 Sb4 -","4","1","","Ma, Jian-Ping; Wang, Shen-Qing; Zhao, Chao-Wei; Wang, Hai-Ying; Dong, Yu-Bin","Cu(ii)4L4 coordination-driven molecular container: a reusable visual colorimetric sensor for Ag(i) ions.","Chemical communications (Cambridge, England)","2014","50","36","4721","4724","10.1039/c4cc00118d","","","0.71073","MoKα","","0.1508","0.0572","","","0.131","0.1463","","","","","","0.657","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112276","11.131","0.002","24.888","0.005","21.128","0.004","90","","93.78","0.03","90","","5840.3","1.9","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C103 H109 Au2 Cl15 N4 O5 P2 -","- C103 H107 Au2 Cl15 N4 O5 P2 -","- C206 H214 Au4 Cl30 N8 O10 P4 -","2","0.5","","Tapu, Daniela; McCarty, Zachary; McMillen, Colin","A stable Janus bis(maloNHC) and its zwitterionic coinage metal complexes.","Chemical communications (Cambridge, England)","2014","50","36","4725","4728","10.1039/c4cc01200c","","","0.71073","MoKα","","0.0815","0.0606","","","0.1547","0.1847","","","","","","1.113","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112277","11.194","0.002","24.889","0.005","21.474","0.004","90","","92.25","0.03","90","","5978","2","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104 H109 Ag2 Cl17 N4 O4 P2 -","- C104 H109 Ag2 Cl17 N4 O4 P2 -","- C208 H218 Ag4 Cl34 N8 O8 P4 -","2","0.5","","Tapu, Daniela; McCarty, Zachary; McMillen, Colin","A stable Janus bis(maloNHC) and its zwitterionic coinage metal complexes.","Chemical communications (Cambridge, England)","2014","50","36","4725","4728","10.1039/c4cc01200c","","","0.71073","MoKα","","0.125","0.0979","","","0.1956","0.2167","","","","","","1.219","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112278","15.968","0.003","9.461","0.0019","21.052","0.004","90","","97.31","0.03","90","","3154.5","1.1","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H78 Cl4 N4 O4 -","- C64 H78 Cl4 N4 O4 -","- C128 H156 Cl8 N8 O8 -","2","0.5","","Tapu, Daniela; McCarty, Zachary; McMillen, Colin","A stable Janus bis(maloNHC) and its zwitterionic coinage metal complexes.","Chemical communications (Cambridge, England)","2014","50","36","4725","4728","10.1039/c4cc01200c","","","0.71073","MoKα","","0.2052","0.1226","","","0.2285","0.2829","","","","","","1.228","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112279","39.7853","0.001","39.7853","0.001","14.0608","0.0004","90","","90","","120","","19274.6","0.9","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C207 H282 Co3 N24 O61 P3 -","- C207 H282 Co3 N24 O61 P3 -","- C621 H846 Co9 N72 O183 P9 -","3","0.333333","","Giedyk, M.; Fedosov, S. N.; Gryko, D.","An amphiphilic, catalytically active, vitamin B12 derivative.","Chemical communications (Cambridge, England)","2014","50","36","4674","4676","10.1039/c4cc01064g","","","1.54178","CuKα","","0.0614","0.057","","","0.1518","0.1557","","","","","","1.05","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112280","24.9933","0.0013","28.2078","0.0012","38.8733","0.0018","90","","90","","90","","27406","2","293","2","293","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C13 H7 Cu N3 O5 -","- C13 H7 Cu N3 O5 -","- C416 H224 Cu32 N96 O160 -","32","1","","Li, Pei-Zhou; Wang, Xiao-Jun; Zhang, Kang; Nalaparaju, Anjaiah; Zou, Ruyi; Zou, Ruqiang; Jiang, Jianwen; Zhao, Yanli","""Click""-extended nitrogen-rich metal-organic frameworks and their high performance in CO2-selective capture.","Chemical communications (Cambridge, England)","2014","50","36","4683","4685","10.1039/c3cc49457h","","","1.54178","CuKα","","0.0793","0.0552","","","0.1552","0.1659","","","","","","0.862","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112281","18.1402","0.001","18.1402","0.001","18.114","0.002","90","","90","","120","","5162.1","0.7","296","2","296","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C13 H8 Cu N3 O5 -","- C13 H8 Cu N3 O5 -","- C78 H48 Cu6 N18 O30 -","6","1","","Li, Pei-Zhou; Wang, Xiao-Jun; Zhang, Kang; Nalaparaju, Anjaiah; Zou, Ruyi; Zou, Ruqiang; Jiang, Jianwen; Zhao, Yanli","""Click""-extended nitrogen-rich metal-organic frameworks and their high performance in CO2-selective capture.","Chemical communications (Cambridge, England)","2014","50","36","4683","4685","10.1039/c3cc49457h","","","0.71073","MoKα","","0.1497","0.0773","","","0.168","0.1845","","","","","","1.035","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112282","49.188","0.0006","37.4243","0.0004","16.0489","0.0002","90","","103.491","0.001","90","","28728","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C53.54 H26.38 Cu6 N8.3 O30 -","- C53.5365 H26.184 Cu6 N8.304 O30 -","- C428.292 H209.472 Cu48 N66.432 O240 -","8","1","","Li, Pei-Zhou; Wang, Xiao-Jun; Zhang, Kang; Nalaparaju, Anjaiah; Zou, Ruyi; Zou, Ruqiang; Jiang, Jianwen; Zhao, Yanli","""Click""-extended nitrogen-rich metal-organic frameworks and their high performance in CO2-selective capture.","Chemical communications (Cambridge, England)","2014","50","36","4683","4685","10.1039/c3cc49457h","","","1.54178","CuKα","","0.0789","0.0727","","","0.3133","0.3201","","","","","","1.012","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112283","11.2831","0.0003","11.2485","0.0002","15.7815","0.0004","90","","92.037","0.002","90","","2001.69","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 B Br F2 N2 -","- C22 H24 B Br F2 N2 -","- C88 H96 B4 Br4 F8 N8 -","4","1","","Lerrick, Reinner I.; Winstanley, Thomas P. L.; Haggerty, Karen; Wills, Corinne; Clegg, William; Harrington, Ross W.; Bultinck, Patrick; Herrebout, Wouter; Benniston, Andrew C.; Hall, Michael J.","Axially chiral BODIPYs.","Chemical communications (Cambridge, England)","2014","50","36","4714","4716","10.1039/c4cc00851k","","","0.71073","MoKα","","0.0447","0.0379","","","0.0936","0.0977","","","","","","1.051","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112284","7.712","0.005","25.125","0.015","12.348","0.007","90","","92.318","0.007","90","","2391","3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 B F2 N2 O2 -","- C27 H31 B F2 N2 O2 -","- C108 H124 B4 F8 N8 O8 -","4","1","","Lerrick, Reinner I.; Winstanley, Thomas P. L.; Haggerty, Karen; Wills, Corinne; Clegg, William; Harrington, Ross W.; Bultinck, Patrick; Herrebout, Wouter; Benniston, Andrew C.; Hall, Michael J.","Axially chiral BODIPYs.","Chemical communications (Cambridge, England)","2014","50","36","4714","4716","10.1039/c4cc00851k","","x-ray","0.6889","","","0.1055","0.0581","","","0.1469","0.1715","","","","","","1.028","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112285","11.901","0.003","15.078","0.003","20.832","0.005","85.587","0.004","87.401","0.004","70.094","0.004","3503.7","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H50 Br0.5 Cl N0.5 O5 -","- C35.5 H50 Br0.5 Cl N0.5 O5 -","- C142 H200 Br2 Cl4 N2 O20 -","4","2","","Shu, Xiaoyan; Chen, Wei; Hou, Dabin; Meng, Qingbin; Zheng, Renlin; Li, Chunju","Novel binding regioselectivity in the interpenetration of a non-symmetric axle into a non-symmetric pillar[5]arene wheel.","Chemical communications (Cambridge, England)","2014","50","37","4820","4823","10.1039/c4cc00800f","","","0.71073","MoKα","","0.1408","0.104","","","0.2949","0.3348","","","","","","1.011","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112474","6.4505","0.0014","7.7509","0.0017","42.666","0.009","90","","90","","90","","2133.2","0.8","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl O4 -","- C24 H25 Cl O4 -","- C96 H100 Cl4 O16 -","4","1","","Kohsuke Ohmatsu; Mitsunori Ito; Takashi Ooi","Ligand-controlled E/Z selectivity and enantioselectivity in palladium-catalyzed allylation of benzofuranones with 1,2-disubstituted allylic carbonates","Chem.Commun.","2014","50","","4554","","10.1039/C3CC49338E","","","0.71073","MoKα","","0.0506","0.0419","","","0.1125","0.1254","","","","","","0.719","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112475","8.647","0.003","9.403","0.004","24.219","0.009","90","","90","","90","","1969.2","1.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 O5 P -","- C21 H23 O5 P -","- C84 H92 O20 P4 -","4","1","","Kohsuke Ohmatsu; Mitsunori Ito; Takashi Ooi","Ligand-controlled E/Z selectivity and enantioselectivity in palladium-catalyzed allylation of benzofuranones with 1,2-disubstituted allylic carbonates","Chem.Commun.","2014","50","","4554","","10.1039/C3CC49338E","","","0.71073","MoKα","","0.1132","0.079","","","0.2186","0.2896","","","","","","1.192","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112476","6.6395","0.001","15.61","0.002","7.8147","0.0012","90","","91.71","0.003","90","","809.6","0.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C40 H34 N2 O4 -","2","1","","Kohsuke Ohmatsu; Mitsunori Ito; Takashi Ooi","Ligand-controlled E/Z selectivity and enantioselectivity in palladium-catalyzed allylation of benzofuranones with 1,2-disubstituted allylic carbonates","Chem.Commun.","2014","50","","4554","","10.1039/C3CC49338E","","","0.71073","MoKα","","0.0504","0.0478","","","0.1204","0.1233","","","","","","0.962","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112477","10.557","0.0008","12.6918","0.0009","12.8872","0.0009","111.743","0.001","96.693","0.001","95.449","0.001","1575","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H80 Cl6 N6 O14 -","- C54 H80 Cl6 N6 O14 -","- C54 H80 Cl6 N6 O14 -","1","0.5","","Lin Qiu; Chengcheng Zhu; Huachao Chen; Ming Hu; Weijiang He; Zijian Guo","A turn-on fluorescent Fe3+ sensor derived from an anthracene-bearing bisdiene macrocycle and its intracellular imaging application","Chem.Commun.","2014","50","","4631","","10.1039/C3CC49482A","","","0.71073","MoKα","","0.1366","0.0603","","","0.1306","0.1579","","","","","","1.05","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112478","12.0032","0.0012","11.322","0.0011","13.1801","0.0013","90","","102.273","0.002","90","","1750.2","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C100 H72 O8 -","4","1","","Anu Jose; Jayakrishnan A.J.; Balaraman Vedhanarayanan; Rajeev S.Menon; Sunil Varughese; Eringathodi Suresh; Vijay Nair","A phosphine-mediated reaction of cyclic 1,2-diones and 3-alkyl allenoates: an efficient protocol for benzannulation applicable to the synthesis of polycyclic aromatic hydrocarbons","Chem.Commun.","2014","50","","4616","","10.1039/C4CC00378K","","","0.71073","MoKα","","0.0572","0.0514","","","0.1361","0.1428","","","","","","1.043","","","","has coordinates,has disorder","180238","2020-10-21","18:00:00",""
"7112479","9.365","0.007","9.614","0.007","13.398","0.01","93.436","0.006","100.301","0.011","118.186","0.009","1031.5","1.3","301","2","301","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H20 O2 -","- C29 H20 O2 -","- C58 H40 O4 -","2","1","","Anu Jose; Jayakrishnan A.J.; Balaraman Vedhanarayanan; Rajeev S.Menon; Sunil Varughese; Eringathodi Suresh; Vijay Nair","A phosphine-mediated reaction of cyclic 1,2-diones and 3-alkyl allenoates: an efficient protocol for benzannulation applicable to the synthesis of polycyclic aromatic hydrocarbons","Chem.Commun.","2014","50","","4616","","10.1039/C4CC00378K","","","0.71073","MoKα","","0.1238","0.0552","","","0.1114","0.1311","","","","","","0.928","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112480","25.153","0.009","7.204","0.003","19.717","0.007","90","","90","","90","","3573","2","301","2","301","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C25 H20 O2 -","- C25 H20 O2 -","- C200 H160 O16 -","8","1","","Anu Jose; Jayakrishnan A.J.; Balaraman Vedhanarayanan; Rajeev S.Menon; Sunil Varughese; Eringathodi Suresh; Vijay Nair","A phosphine-mediated reaction of cyclic 1,2-diones and 3-alkyl allenoates: an efficient protocol for benzannulation applicable to the synthesis of polycyclic aromatic hydrocarbons","Chem.Commun.","2014","50","","4616","","10.1039/C4CC00378K","","","0.71073","MoKα","","0.0837","0.0655","","","0.148","0.16","","","","","","1.146","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112481","15.9762","0.00017","15.10805","0.00017","21.3826","0.0002","90","","90","","90","","5161.1","0.09","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H27 Cl4 Mn N5 -","- C21.999 H26.998 Cl3.998 Mn N5 -","- C175.992 H215.984 Cl31.984 Mn8 N40 -","8","1","","Grau, Michaela; Rigodanza, Francesco; White, Andrew J. P.; Sorarù, Antonio; Carraro, Mauro; Bonchio, Marcella; Britovsek, George J. P.","Ligand tuning of single-site manganese-based catalytic antioxidants with dual superoxide dismutase and catalase activity","Chemical Communications (Cambridge, United Kingdom)","2014","50","35","4607","4609","10.1039/c4cc00758a","","","0.71073","MoKα","","0.0467","0.0349","","","0.0908","0.0976","","","","","","1.087","","","","has coordinates,has disorder","210712","2020-10-21","18:00:00",""
"7112482","9.9713","0.0003","10.0552","0.0004","14.007","0.0005","95.426","0.003","99.237","0.003","99.809","0.003","1355.14","0.09","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H19 F6 Mn N3 O8 S2 -","- C21 H19 F6 Mn N3 O8 S2 -","- C42 H38 F12 Mn2 N6 O16 S4 -","2","1","","Grau, Michaela; Rigodanza, Francesco; White, Andrew J. P.; Sorarù, Antonio; Carraro, Mauro; Bonchio, Marcella; Britovsek, George J. P.","Ligand tuning of single-site manganese-based catalytic antioxidants with dual superoxide dismutase and catalase activity","Chemical Communications (Cambridge, United Kingdom)","2014","50","35","4607","4609","10.1039/c4cc00758a","","","0.71073","MoKα","","0.0597","0.043","","","0.1117","0.12","","","","","","1.08","","","","has coordinates,has disorder","210712","2020-10-21","18:00:00",""
"7112483","8.3148","0.0019","14.215","0.003","11.639","0.003","90","","99.688","0.005","90","","1356.1","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5tBuDACCl2","","","- C11 H18 Cl2 N2 O2 -","- C11 H18 Cl2 N2 O2 -","- C44 H72 Cl8 N8 O8 -","4","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Reductive generation of stable, five-membered N,N'-diamidocarbenes","Chem.Commun.","2014","50","","4551","","10.1039/C4CC00846D","","","0.71075","MoKα","","0.0598","0.0449","","","0.0982","0.1055","","","","","","1.006","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112484","14.331","0.004","11.335","0.004","12.768","0.004","90","","103.063","0.006","90","","2020.4","1.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5AdDACCl2","","","- C23 H30 Cl2 N2 O2 -","- C23 H30 Cl2 N2 O2 -","- C92 H120 Cl8 N8 O8 -","4","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Reductive generation of stable, five-membered N,N'-diamidocarbenes","Chem.Commun.","2014","50","","4551","","10.1039/C4CC00846D","","","0.71075","MoKα","","0.0393","0.0366","","","0.0937","0.0958","","","","","","1.006","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112485","13.331","0.0012","5.9383","0.0005","15.6507","0.0014","90","","105.521","0.003","90","","1193.78","0.18","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5tBuDAC","","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C44 H72 N8 O8 -","4","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Reductive generation of stable, five-membered N,N'-diamidocarbenes","Chem.Commun.","2014","50","","4551","","10.1039/C4CC00846D","","","0.71075","MoKα","","0.0546","0.0452","","","0.1137","0.1211","","","","","","1.006","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112486","9.102","0.003","12.188","0.004","23.505","0.008","90","","90","","90","","2607.5","1.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5DACNH3","","","- C11 H21 N3 O2 -","- C11 H21 N3 O2 -","- C88 H168 N24 O16 -","8","2","","Jonathan P. Moerdyk; Christopher W. Bielawski","Reductive generation of stable, five-membered N,N'-diamidocarbenes","Chem.Commun.","2014","50","","4551","","10.1039/C4CC00846D","","","0.71075","MoKα","","0.0897","0.0851","","","0.1985","0.2025","","","","","","1.006","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112487","6.1949","0.0002","13.096","0.0003","9.5555","0.0003","90","","93.8","0.002","90","","773.52","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","5DACMeVinylKetone","","","- C15 H24 N2 O3 -","- C15 H24 N2 O3 -","- C30 H48 N4 O6 -","2","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Reductive generation of stable, five-membered N,N'-diamidocarbenes","Chem.Commun.","2014","50","","4551","","10.1039/C4CC00846D","","","0.71073","MoKα","","0.0303","0.0285","","","0.0781","0.0798","","","","","","1.006","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112488","9.1753","0.0006","22.7039","0.0014","18.5417","0.0013","90","","97.125","0.005","90","","3832.7","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5DACPhButyne","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C168 H224 N16 O16 -","8","2","","Jonathan P. Moerdyk; Christopher W. Bielawski","Reductive generation of stable, five-membered N,N'-diamidocarbenes","Chem.Commun.","2014","50","","4551","","10.1039/C4CC00846D","","","0.71073","MoKα","","0.1462","0.0594","","","0.1175","0.1648","","","","","","1.006","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112489","17.9469","0.001","17.563","0.0008","12.2414","0.0007","90","","90.152","0.002","90","","3858.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5DACToluene","","","- C42 H58 N4 O4 -","- C42 H58 N4 O4 -","- C168 H232 N16 O16 -","4","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Reductive generation of stable, five-membered N,N'-diamidocarbenes","Chem.Commun.","2014","50","","4551","","10.1039/C4CC00846D","","","0.71073","MoKα","","0.059","0.0422","","","0.0986","0.1113","","","","","","1.006","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112490","11.2887","0.0004","12.5105","0.0005","24.5874","0.001","90","","97.663","0.004","90","","3441.4","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H100 Li6 N2 O6 S6 Si4 -","- C54 H100 Li6 N2 O6 S6 Si4 -","- C108 H200 Li12 N4 O12 S12 Si8 -","2","0.5","","Yan Li; Hongping Zhu; Diego M. Andrada; Gernot Frenking; Herbert W. Roesky","Aminosilanetrithiol RSi(SH)3: an experimental and quantum-chemical study","Chem.Commun.","2014","50","","4628","","10.1039/C4CC00912f","","","0.71073","MoKα","","0.0985","0.0453","","","0.0789","0.0864","","","","","","0.817","","","","has coordinates,has disorder","180238","2020-10-21","18:00:00",""
"7112491","12.2912","0.0014","14.285","0.0018","19.527","0.002","90","","96.116","0.012","90","","3409","0.7","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H50 Cl2 Li N O3 S Si2 -","- C27 H50 Cl2 Li N O3 S Si2 -","- C108 H200 Cl8 Li4 N4 O12 S4 Si8 -","4","1","","Yan Li; Hongping Zhu; Diego M. Andrada; Gernot Frenking; Herbert W. Roesky","Aminosilanetrithiol RSi(SH)3: an experimental and quantum-chemical study","Chem.Commun.","2014","50","","4628","","10.1039/C4CC00912f","","","0.71073","MoKα","","0.2383","0.0663","","","0.1199","0.1525","","","","","","0.716","","","","has coordinates,has disorder","180238","2020-10-21","18:00:00",""
"7112492","14.035","0.003","20.367","0.004","18.446","0.004","90","","90","0.03","90","","5272.8","1.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H76 Li2 N2 O3 S4 Si4 -","- C42 H76 Li2 N2 O3 S4 Si4 -","- C168 H304 Li8 N8 O12 S16 Si16 -","4","1","","Yan Li; Hongping Zhu; Diego M. Andrada; Gernot Frenking; Herbert W. Roesky","Aminosilanetrithiol RSi(SH)3: an experimental and quantum-chemical study","Chem.Commun.","2014","50","","4628","","10.1039/C4CC00912f","","","0.71073","MoKα","","0.2065","0.0781","","","0.1544","0.2042","","","","","","0.936","","","","has coordinates,has disorder","180238","2020-10-21","18:00:00",""
"7112493","12.1294","0.0009","12.0775","0.0007","14.2602","0.0008","90","","90","","90","","2089","0.2","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C15 H29 N S3 Si2 -","- C15 H29 N S3 Si2 -","- C60 H116 N4 S12 Si8 -","4","0.5","","Yan Li; Hongping Zhu; Diego M. Andrada; Gernot Frenking; Herbert W. Roesky","Aminosilanetrithiol RSi(SH)3: an experimental and quantum-chemical study","Chem.Commun.","2014","50","","4628","","10.1039/C4CC00912f","","","0.71073","MoKα","","0.0607","0.0442","","","0.0963","0.1057","","","","","","1.004","","","","has coordinates,has disorder","180238","2020-10-21","18:00:00",""
"7112494","15.031","0.0006","15.0658","0.0007","18.8598","0.0006","95.478","0.003","93.48","0.003","98.395","0.004","4193.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H104 Ag4 N4 S12 Si8 -","- C60 H104 Ag4 N4 S12 Si8 -","- C120 H208 Ag8 N8 S24 Si16 -","2","1","","Yan Li; Hongping Zhu; Diego M. Andrada; Gernot Frenking; Herbert W. Roesky","Aminosilanetrithiol RSi(SH)3: an experimental and quantum-chemical study","Chem.Commun.","2014","50","","4628","","10.1039/C4CC00912f","","","0.71073","MoKα","","0.1059","0.043","","","0.0562","0.0617","","","","","","0.782","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112495","36.2607","0.0019","16.653","0.0009","12.6625","0.0007","90","","97.198","0.001","90","","7586","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H91 F12 N7 Ni2 P2 -","- C70 H91 F12 N7 Ni2 P2 -","- C280 H364 F48 N28 Ni8 P8 -","4","1","","Mickael Henrion; Michael J. Chetcuti; Vincent Ritleng","From acetone metalation to the catalytic alpha-arylation of acyclic ketones with NHC-nickel(II) complexes","Chem.Commun.","2014","50","","4624","","10.1039/C4CC00959b","","","0.71073","MoKα","","0.0672","0.0485","","","0.1036","0.1099","","","","","","1.058","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112496","21.3657","0.0016","8.2297","0.0007","15.7213","0.0012","90","","104.982","0.002","90","","2670.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N2 Ni -","- C32 H34 N2 Ni -","- C128 H136 N8 Ni4 -","4","1","","Mickael Henrion; Michael J. Chetcuti; Vincent Ritleng","From acetone metalation to the catalytic alpha-arylation of acyclic ketones with NHC-nickel(II) complexes","Chem.Commun.","2014","50","","4624","","10.1039/C4CC00959b","","","0.71073","MoKα","","0.09","0.0432","","","0.0941","0.1136","","","","","","1.004","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112601","8.7792","0.0008","25.118","0.002","14.2371","0.0013","90","","103.655","0.002","90","","3050.8","0.5","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C152 H136 N8 O16 -","8","2","","Liu, Pei; Liu, Jin-Ling; Wang, Heng-Shan; Pan, Ying-Ming; Liang, Hong; Chen, Zhen-Feng","Copper-mediated cross-coupling‒cyclization‒oxidation: a one-pot reaction to construct polysubstituted pyrroles.","Chemical Communications (Cambridge, United Kingdom)","2014","50","37","4795","4798","10.1039/c3cc48728h","","","0.71073","MoKα","","0.1335","0.0581","","","0.118","0.1505","","","","","","0.981","","","","has coordinates","210841","2020-10-21","18:00:00",""
"7112603","10.363","0.002","12.708","0.003","13.781","0.003","90","","90","","90","","1814.9","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 Cl N2 O2 -","- C7 H15 Cl N2 O2 -","- C56 H120 Cl8 N16 O16 -","8","1","","Denis Prodius; Hamid Saeed Shah; Jamshed Iqbal; Anastasia Macaeva; Anatoli Dimoglo; George E. Kostakis; Nicolas Zill; Fliur Macaev; Annie K. Powell","A novel example of double 6-exo-trig heterocyclization: nitrile conversion to new anticancer active (HeLa cells) primary amine ionic liquids","Chem.Commun.","2014","50","","4888","","10.1039/C3CC49759C","","","0.71073","MoKα","","0.0677","0.0511","","","0.1404","0.1559","","","","","","1.128","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112604","12.111","0.002","12.998","0.003","12.998","0.003","90","","90","","90","","2046.1","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H17 Cl N2 O3 -","- C8 H17 Cl N2 O3 -","- C64 H136 Cl8 N16 O24 -","8","1","","Denis Prodius; Hamid Saeed Shah; Jamshed Iqbal; Anastasia Macaeva; Anatoli Dimoglo; George E. Kostakis; Nicolas Zill; Fliur Macaev; Annie K. Powell","A novel example of double 6-exo-trig heterocyclization: nitrile conversion to new anticancer active (HeLa cells) primary amine ionic liquids","Chem.Commun.","2014","50","","4888","","10.1039/C3CC49759C","","","0.71073","MoKα","","0.1049","0.0874","","","0.191","0.217","","","","","","1.006","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112605","8.8041","0.0004","12.8542","0.0006","10.0647","0.0008","90","","90.02","0.005","90","","1139.02","0.12","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H15 F6 N2 O2 P -","- C7 H15 F6 N2 O2 P -","- C28 H60 F24 N8 O8 P4 -","4","1","","Denis Prodius; Hamid Saeed Shah; Jamshed Iqbal; Anastasia Macaeva; Anatoli Dimoglo; George E. Kostakis; Nicolas Zill; Fliur Macaev; Annie K. Powell","A novel example of double 6-exo-trig heterocyclization: nitrile conversion to new anticancer active (HeLa cells) primary amine ionic liquids","Chem.Commun.","2014","50","","4888","","10.1039/C3CC49759C","","","0.71073","MoKα","","0.0351","0.0317","","","0.0851","0.0871","","","","","","1.061","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112606","6.3381","0.0013","8.1858","0.0016","11.115","0.002","90","","100.48","0.03","90","","567.1","0.2","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H15 F6 N2 O2 P -","- C7 H15 F6 N2 O2 P -","- C14 H30 F12 N4 O4 P2 -","2","1","","Denis Prodius; Hamid Saeed Shah; Jamshed Iqbal; Anastasia Macaeva; Anatoli Dimoglo; George E. Kostakis; Nicolas Zill; Fliur Macaev; Annie K. Powell","A novel example of double 6-exo-trig heterocyclization: nitrile conversion to new anticancer active (HeLa cells) primary amine ionic liquids","Chem.Commun.","2014","50","","4888","","10.1039/C3CC49759C","","","0.71073","MoKα","","0.0405","0.0354","","","0.0929","0.1058","","","","","","1.088","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112607","13.2606","0.0015","17.5002","0.0017","7.1051","0.0011","90","","90","","90","","1648.8","0.4","473","2","473","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C12 H7 Co N2 O4 -","- C12 H7 Co N2 O4 -","- C48 H28 Co4 N8 O16 -","4","0.5","","Rongming Wang; Qingguo Meng; Liangliang Zhang; Haifeng Wang; Fangna Dai; Wenyue Guo; Lianming Zhao; Daofeng Sun","Investigation of the effect of pore size on gas uptake in two fsc metal-organic frameworks","Chem.Commun.","2014","50","","4911","","10.1039/C4CC00477A","","","1.54184","CuKα","","0.0885","0.0768","","","0.2564","0.2708","","","","","","1.078","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112608","11.3988","0.0002","17.3695","0.0002","13.24337","0.00019","90","","92.4376","0.0015","90","","2619.7","0.07","473","2","473","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Co N2 O4 -","- C18 H11 Co N2 O4 -","- C72 H44 Co4 N8 O16 -","4","1","","Rongming Wang; Qingguo Meng; Liangliang Zhang; Haifeng Wang; Fangna Dai; Wenyue Guo; Lianming Zhao; Daofeng Sun","Investigation of the effect of pore size on gas uptake in two fsc metal-organic frameworks","Chem.Commun.","2014","50","","4911","","10.1039/C4CC00477A","","","1.54184","CuKα","","0.0786","0.0725","","","0.2031","0.2087","","","","","","1.085","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112609","13.5849","0.0006","19.9777","0.0008","16.2382","0.0007","90","","113.621","0.001","90","","4037.7","0.3","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","1 in manuscript","","","- C93 H87 Au Cl7 O6 P -","- C93 H87 Au Cl7 O6 P -","- C186 H174 Au2 Cl14 O12 P2 -","2","1","","Maria Camila Blanco Jaimes; Frank Rominger; Mariette M. Pereira; Rui M. B. Carrilho; Sonia A. C. Carabineiro; A. Stephen K. Hashmi","Highly active phosphite gold(I) catalysts for intramolecular hydroalkoxylation, enyne cyclization and furanyne cyclization","Chem.Commun.","2014","50","","4937","","10.1039/C4CC00839A","","","0.71073","MoKα","","0.0799","0.0594","","","0.1291","0.1438","","","","","","1.045","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112610","11.6943","0.0013","13.4623","0.0015","17.938","0.002","90","","92.652","0.002","90","","2821","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3 in manuscript","","","- C30 H45 Au Cl O3 P -","- C30 H45 Au Cl O3 P -","- C120 H180 Au4 Cl4 O12 P4 -","4","1","","Maria Camila Blanco Jaimes; Frank Rominger; Mariette M. Pereira; Rui M. B. Carrilho; Sonia A. C. Carabineiro; A. Stephen K. Hashmi","Highly active phosphite gold(I) catalysts for intramolecular hydroalkoxylation, enyne cyclization and furanyne cyclization","Chem.Commun.","2014","50","","4937","","10.1039/C4CC00839A","","","0.71073","MoKα","","0.0718","0.0418","","","0.068","0.0752","","","","","","1.011","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112611","23.028","0.003","18.156","0.003","19.131","0.005","90","","100.136","0.012","90","","7874","3","200","","200","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H54 Co F6 N4 Sb -","- C36 H54 Co F6 N4 Sb -","- C288 H432 Co8 F48 N32 Sb8 -","8","2","","Amelie Kochem; Gisele Gellon; Olivier Jarjayes; Christian Philouze; Nicolas Leconte; Maurice van Gastel; Eckhard Bill; Fabrice Thomas","A singlet ground state for a cobalt(II)-anilinosalen radical complex","Chem.Commun.","2014","50","","4924","","10.1039/C4CC00952E","","x-ray","0.71073","MoKα","","0.0915","0.046","","","0.0849","0.0981","","","","","","1.014","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112612","10.5849","0.0006","9.807","0.0004","29.9716","0.0013","90","","99.183","0.005","90","","3071.4","0.3","110","1","110","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H32 F26 N8 O12 S4 -","- C56 H32 F26 N8 O12 S4 -","- C112 H64 F52 N16 O24 S8 -","2","0.5","","Lena Hahn; Simin Oz; Hubert Wadepohl; Lutz H. Gade","Highly emissive water-soluble tetraazaperopyrenes as fluorescent markers","Chem.Commun.","2014","50","","4941","","10.1039/C4CC01254B","","x-ray","1.5418","CuKα","","0.081","0.0609","","","0.145","0.1584","","","","","","1.028","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112613","21.096","0.01","11.551","0.005","22.445","0.01","90","","108.873","0.011","90","","5175","4","100","2","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H44 F14 N8 O3 -","- C60 H44 F14 N8 O3 -","- C240 H176 F56 N32 O12 -","4","0.5","","Lena Hahn; Simin Oz; Hubert Wadepohl; Lutz H. Gade","Highly emissive water-soluble tetraazaperopyrenes as fluorescent markers","Chem.Commun.","2014","50","","4941","","10.1039/C4CC01254B","","x-ray","0.71073","MoKα","","0.0798","0.0554","","","0.1328","0.1454","","","","","","1.022","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112614","8.477","0.0003","10.138","0.0003","12.649","0.0004","88.7192","0.0017","78.5886","0.0016","83.6975","0.0017","1059.12","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 F6 N5 O6 S4 -","- C14 H9 F6 N5 O6 S4 -","- C28 H18 F12 N10 O12 S8 -","2","1","","Alicea A. Leitch; Ilia Korobkov; Abdeljalil Assoud; Jaclyn L. Brusso","Non-innocent pyridyl nitrogens: unprecedented interconversion of N-bridgehead-thiadiazolium salts and thiatriazine in the generation of thiatriazinyl","Chem.Commun.","2014","50","","4934","","10.1039/C4CC01433B","","","0.71073","MoKα","","0.0661","0.0548","","","0.1116","0.1195","","","","","","1.224","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112615","13.6633","0.0004","3.8448","0.0001","22.7022","0.0007","90","","106.326","0.002","90","","1144.52","0.06","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N5 S -","- C12 H9 N5 S -","- C48 H36 N20 S4 -","4","1","","Alicea A. Leitch; Ilia Korobkov; Abdeljalil Assoud; Jaclyn L. Brusso","Non-innocent pyridyl nitrogens: unprecedented interconversion of N-bridgehead-thiadiazolium salts and thiatriazine in the generation of thiatriazinyl","Chem.Commun.","2014","50","","4934","","10.1039/C4CC01433B","","","0.71073","MoKα","","0.0658","0.0445","","","0.1058","0.1183","","","","","","1.043","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112616","9.1987","0.0003","9.8364","0.0003","11.7652","0.0004","94.5844","0.0016","102.657","0.0017","92.0173","0.0017","1033.82","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H11 F6 N5 O6 S3 -","- C14 H11 F6 N5 O6 S3 -","- C28 H22 F12 N10 O12 S6 -","2","1","","Alicea A. Leitch; Ilia Korobkov; Abdeljalil Assoud; Jaclyn L. Brusso","Non-innocent pyridyl nitrogens: unprecedented interconversion of N-bridgehead-thiadiazolium salts and thiatriazine in the generation of thiatriazinyl","Chem.Commun.","2014","50","","4934","","10.1039/C4CC01433B","","","0.71073","MoKα","","0.0652","0.0471","","","0.1138","0.122","","","","","","1.026","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112617","7.7042","0.0004","15.7653","0.0007","9.1879","0.0004","90","","104.37","0.005","90","","1081.04","0.09","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 O5 S -","- C25 H22 O5 S -","- C50 H44 O10 S2 -","2","1","","Zhen Wang; Qian Yao; Tengfei Kang; Juhua Feng; Xiaohua Liu; Lili Lin; Xiaoming Feng","Highly diastereo- and enantioselective Michael addition of 3-substituted benzofuran-2(3H)-ones to 4-oxo-enoates catalyzed by lanthanide(III) complexes","Chem.Commun.","2014","50","","4918","","10.1039/C4CC01499E","","","0.7107","MoKα","","0.0726","0.0548","","","0.1238","0.1396","","","","","","1.022","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112618","5.42559","0.00013","12.7257","0.0003","21.3576","0.0005","90","","90","","90","","1474.62","0.06","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br O2 -","- C18 H13 Br O2 -","- C72 H52 Br4 O8 -","4","1","","Takuya Oguma; Tsutomu Katsuki","Iron-catalysed asymmetric tandem spiro-cyclization using dioxygen in air as the hydrogen acceptor","Chem.Commun.","2014","50","","5053","","10.1039/C4CC01555J","","","1.54187","CuKα","","","0.0654","","","","0.2344","","","","","","1.013","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112622","12.2236","0.0012","9.7043","0.0005","19.584","0.0011","90","","90","","90","","2323.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C112 H88 N24 O16 -","8","1","","Zhenxing Liu; Long Wang; Haocheng Tan; Shiyi Zhou; Tianren Fu; Ying Xia; Yan Zhang; Jianbo Wang","Synthesis of 1H-indazoles from N-tosylhydrazones and nitroaromatic compounds","Chem.Commun.","2014","50","","5061","","10.1039/C4CC00962B","","","0.7107","MoKα","","0.0459","0.0392","","","0.0956","0.0996","","","","","","1.071","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112623","8.444","0.0004","17.3203","0.0006","27.1664","0.0011","90","","95.788","0.002","90","","3952.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 N5 O10 Pd -","- C43 H45 N5 O10 Pd -","- C172 H180 N20 O40 Pd4 -","4","1","","Nicolas Zigon; Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakas; Mir Wais Hosseini","Optical reading of the open and closed states of a molecular turnstile","Chem.Commun.","2014","50","","5040","","10.1039/C4CC01071J","","","0.71073","MoKα","","0.1028","0.052","","","0.119","0.1416","","","","","","0.993","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112624","33.7831","0.001","33.7831","0.001","43.456","0.003","90","","90","","120","","42952","3","228","2","228","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","MMPF-9","","","- C80 H40 Cu7 N4 O30 -","- C80 H40 Cu7 N4 O30 -","- C480 H240 Cu42 N24 O180 -","6","0.25","","Wen-Yang Gao; Lukasz Wojtas; Shengqian Ma","A porous metal-metalloporphyrin framework featuring high-density active sites for chemical fixation of CO2 under ambient conditions","Chem.Commun.","2014","50","","5316","","10.1039/C3CC47542E","","","1.54178","CuKα","","0.0654","0.0485","","","0.1301","0.1354","","","","","","1.014","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112625","9.8277","0.0004","9.8709","0.0004","26.4181","0.0012","90","","92.566","0.002","90","","2560.2","0.19","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N2 O3 -","- C30 H30 N2 O3 -","- C120 H120 N8 O12 -","4","1","","Zhiqian Wang; Brandon J. Reinus; Guangbin Dong","Catalytic intermolecular beta-C-H alkenylation of alpha-enamino-ketones with simple alkynes","Chem.Commun.","2014","50","","5230","","10.1039/C3CC47556E","","","0.71073","MoKα","","0.1067","0.0672","","","0.1306","0.1462","","","","","","1.144","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112626","7.5842","0.0005","14.8337","0.0012","19.319","0.0014","90","","93.285","0.003","90","","2169.9","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Zhiqian Wang; Brandon J. Reinus; Guangbin Dong","Catalytic intermolecular beta-C-H alkenylation of alpha-enamino-ketones with simple alkynes","Chem.Commun.","2014","50","","5230","","10.1039/C3CC47556E","","","0.71073","MoKα","","0.0918","0.0485","","","0.1027","0.1253","","","","","","1.034","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112627","16.425","","14.739","","16.609","","90","","90.3","","90","","4020.79","","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H18 N2 O -","- C25 H21 N2 O -","- C200 H168 N16 O8 -","8","2","","Zhiqian Wang; Brandon J. Reinus; Guangbin Dong","Catalytic intermolecular beta-C-H alkenylation of alpha-enamino-ketones with simple alkynes","Chem.Commun.","2014","50","","5230","","10.1039/C3CC47556E","","","0.71073","MoKα","","0.2171","0.11","","","0.2471","0.3097","","","","","","1.046","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7112628","6.0634","0.0007","72.208","0.008","7.6952","0.0009","90","","90","","90","","3369.2","0.7","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C40 H40 O -","- C40 H52 O -","- C160 H208 O4 -","4","0.5","","Katsumasa Nakahara; Chikahiko Mitsui; Toshihiro Okamoto; Masakazu Yamagishi; Hiroyuki Matsui; Takanari Ueno; Yuji Tanaka; Masafumi Yano; Takeshi Matsushita; Junshi Soeda; Yuri Hirose; Hiroyasu Sato; Akihito Yamanof; Jun Takeya","Furan fused V-shaped organic semiconducting materials with high emission and high mobility","Chem.Commun.","2014","50","","5342","","10.1039/C3CC47577H","","","1.0106","SrKα","","","0.0984","","","","0.3247","","","","","","0.887","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112629","5.9067","0.0003","72.191","0.004","7.3415","0.0004","90","","90","","90","","3130.5","0.3","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C40 H13 O -","- C40 H52 O -","- C160 H208 O4 -","4","0.5","","Katsumasa Nakahara; Chikahiko Mitsui; Toshihiro Okamoto; Masakazu Yamagishi; Hiroyuki Matsui; Takanari Ueno; Yuji Tanaka; Masafumi Yano; Takeshi Matsushita; Junshi Soeda; Yuri Hirose; Hiroyasu Sato; Akihito Yamanof; Jun Takeya","Furan fused V-shaped organic semiconducting materials with high emission and high mobility","Chem.Commun.","2014","50","","5342","","10.1039/C3CC47577H","","","1.54187","CuKα","","","0.1552","","","","0.3751","","","","","","1.044","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112630","8.2542","0.0009","26.236","0.003","10.2531","0.0012","90","","104.029","0.002","90","","2154.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O7 -","- C23 H29 N O7 -","- C92 H116 N4 O28 -","4","1","","Xiaochun Xiong; Yong Li; Zhaoyong Lu; Ming Wan; Jun Deng; Shuhang Wu; Huawu Shao; Ang Li","Synthesis of the 6,6,5,7-tetracyclic core of daphnilongeranin B","Chem.Commun.","2014","50","","5294","","10.1039/C3CC47873D","","","0.71073","MoKα","","0.133","0.0805","","","0.1864","0.2123","","","","","","1.098","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112631","7.3664","0.0012","16.466","0.003","18.699","0.003","107.65","0.002","93.736","0.002","96.762","0.002","2134.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Potassium (4-nitrophenylcarbamothioyl)(tosyl)amide","","","- C35.5 H39 K2 N6 O10.5 S4 -","- C35.5 H39 K2 N6 O10.5 S4 -","- C71 H78 K4 N12 O21 S8 -","2","1","","Davin Tan; Vjekoslav Strukil; Cristina Mottillo; Tomislav Friscic","Mechanosynthesis of pharmaceutically relevant sulfonyl-(thio)ureas","Chem.Commun.","2014","50","","5248","","10.1039/C3CC47905F","","","0.71073","MoKα","","0.1361","0.0582","","","0.1269","0.1656","","","","","","0.965","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112632","7.557","0.004","9.922","0.005","11.266","0.006","106.421","0.006","103.828","0.006","98.312","0.006","766.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-methyl-N-(phenylcarbamothioyl)benzenesulfonamide","","","- C14 H14 N2 O2 S2 -","- C14 H14 N2 O2 S2 -","- C28 H28 N4 O4 S4 -","2","1","","Davin Tan; Vjekoslav Strukil; Cristina Mottillo; Tomislav Friscic","Mechanosynthesis of pharmaceutically relevant sulfonyl-(thio)ureas","Chem.Commun.","2014","50","","5248","","10.1039/C3CC47905F","","","0.71073","MoKα","","0.1013","0.0533","","","0.1281","0.1566","","","","","","0.973","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112633","9.634","0.002","10.046","0.002","10.667","0.002","64.209","0.003","69.198","0.002","72.313","0.002","855.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","5-chloro-2-methoxy-N-(4-sulfamoylphenethyl_benzamide","","","- C16 H17 Cl N2 O4 S -","- C16 H17 Cl N2 O4 S -","- C32 H34 Cl2 N4 O8 S2 -","2","1","","Davin Tan; Vjekoslav Strukil; Cristina Mottillo; Tomislav Friscic","Mechanosynthesis of pharmaceutically relevant sulfonyl-(thio)ureas","Chem.Commun.","2014","50","","5248","","10.1039/C3CC47905F","","","0.71073","MoKα","","0.0541","0.0388","","","0.0922","0.1022","","","","","","0.989","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112634","9.3333","0.0008","16.0646","0.0014","19.6441","0.0017","90","","97.58","0.001","90","","2919.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-chloro-N-(cyclohexylcarbamoyl)benzenesulfonamide","","","- C13 H17 Cl N2 O3 S -","- C13 H17 Cl N2 O3 S -","- C104 H136 Cl8 N16 O24 S8 -","8","2","","Davin Tan; Vjekoslav Strukil; Cristina Mottillo; Tomislav Friscic","Mechanosynthesis of pharmaceutically relevant sulfonyl-(thio)ureas","Chem.Commun.","2014","50","","5248","","10.1039/C3CC47905F","","","0.71073","MoKα","","0.0449","0.0336","","","0.0836","0.0897","","","","","","1.026","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112635","9.9959","0.0008","15.2833","0.0011","12.9857","0.001","90","","97.233","0.007","90","","1968","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 N2 P2 Pd S2 -","- C46 H38 N2 P2 Pd S2 -","- C92 H76 N4 P4 Pd2 S4 -","2","0.5","","Erik Wachtler; Robert Gericke; Lyuben Zhechkov; Thomas Heine; Thorsten Langer; Birgit Gerke; Rainer Pottgen; Jorg Wagler","Pyridine-2-thiolate bridged tin-palladium complexes with Sn(PdN2Cl2), Sn(PdN2S2), Sn(PdN2C2) and Sn(Pd2N4) skeletons","Chem.Commun.","2014","50","","5382","","10.1039/C3CC47912A","","","0.71073","MoKα","","0.0744","0.038","","","0.0676","0.077","","","","","","1.049","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112636","8.7479","0.0004","11.8756","0.0005","15.2144","0.0006","96.721","0.003","93.528","0.003","107.858","0.003","1486.12","0.11","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H23 Cl2 N2 P Pd S2 Sn -","- C28 H23 Cl2 N2 P Pd S2 Sn -","- C56 H46 Cl4 N4 P2 Pd2 S4 Sn2 -","2","1","","Erik Wachtler; Robert Gericke; Lyuben Zhechkov; Thomas Heine; Thorsten Langer; Birgit Gerke; Rainer Pottgen; Jorg Wagler","Pyridine-2-thiolate bridged tin-palladium complexes with Sn(PdN2Cl2), Sn(PdN2S2), Sn(PdN2C2) and Sn(Pd2N4) skeletons","Chem.Commun.","2014","50","","5382","","10.1039/C3CC47912A","","","0.71073","MoKα","","0.0255","0.0235","","","0.0569","0.0575","","","","","","1.286","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112637","11.9426","0.0004","11.9476","0.0004","12.0757","0.0004","82.183","0.003","75.922","0.003","60.174","0.003","1449.67","0.1","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H23 Cl2 N2 P Pd S2 Sn -","- C28 H23 Cl2 N2 P Pd S2 Sn -","- C56 H46 Cl4 N4 P2 Pd2 S4 Sn2 -","2","1","","Erik Wachtler; Robert Gericke; Lyuben Zhechkov; Thomas Heine; Thorsten Langer; Birgit Gerke; Rainer Pottgen; Jorg Wagler","Pyridine-2-thiolate bridged tin-palladium complexes with Sn(PdN2Cl2), Sn(PdN2S2), Sn(PdN2C2) and Sn(Pd2N4) skeletons","Chem.Commun.","2014","50","","5382","","10.1039/C3CC47912A","","","0.71073","MoKα","","0.0441","0.0343","","","0.0849","0.0894","","","","","","1.067","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112638","36.1869","0.0014","10.7163","0.0005","22.1382","0.0009","90","","119.94","0.003","90","","7439.3","0.6","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H25 Cl8 N2 P Pd S2 Sn -","- C30 H25 Cl8 N2 P Pd S2 Sn -","- C240 H200 Cl64 N16 P8 Pd8 S16 Sn8 -","8","1","","Erik Wachtler; Robert Gericke; Lyuben Zhechkov; Thomas Heine; Thorsten Langer; Birgit Gerke; Rainer Pottgen; Jorg Wagler","Pyridine-2-thiolate bridged tin-palladium complexes with Sn(PdN2Cl2), Sn(PdN2S2), Sn(PdN2C2) and Sn(Pd2N4) skeletons","Chem.Commun.","2014","50","","5382","","10.1039/C3CC47912A","","","0.71073","MoKα","","0.0381","0.0321","","","0.0806","0.0834","","","","","","1.083","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112639","11.8853","0.0002","16.0997","0.0002","22.9151","0.0004","90","","93.421","0.002","90","","4376.99","0.12","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cl10 P2 Pd Sn -","- C38 H32 Cl10 P2 Pd Sn -","- C152 H128 Cl40 P8 Pd4 Sn4 -","4","1","","Erik Wachtler; Robert Gericke; Lyuben Zhechkov; Thomas Heine; Thorsten Langer; Birgit Gerke; Rainer Pottgen; Jorg Wagler","Pyridine-2-thiolate bridged tin-palladium complexes with Sn(PdN2Cl2), Sn(PdN2S2), Sn(PdN2C2) and Sn(Pd2N4) skeletons","Chem.Commun.","2014","50","","5382","","10.1039/C3CC47912A","","","0.71073","MoKα","","0.0321","0.0286","","","0.0692","0.0707","","","","","","1.16","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112640","8.9822","0.0003","10.334","0.0004","23.1347","0.0008","100.226","0.003","98.001","0.003","96.521","0.003","2071.55","0.13","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H39 N4 O P Pd S4 Sn -","- C42 H39 N4 O P Pd S4 Sn -","- C84 H78 N8 O2 P2 Pd2 S8 Sn2 -","2","1","","Erik Wachtler; Robert Gericke; Lyuben Zhechkov; Thomas Heine; Thorsten Langer; Birgit Gerke; Rainer Pottgen; Jorg Wagler","Pyridine-2-thiolate bridged tin-palladium complexes with Sn(PdN2Cl2), Sn(PdN2S2), Sn(PdN2C2) and Sn(Pd2N4) skeletons","Chem.Commun.","2014","50","","5382","","10.1039/C3CC47912A","","","0.71073","MoKα","","0.0323","0.0261","","","0.0562","0.058","","","","","","1.149","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7112641","16.3741","0.0005","9.4293","0.0002","23.7358","0.0007","90","","104.305","0.002","90","","3551.09","0.17","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 N2 P Pd S2 Sn -","- C40 H33 N2 P Pd S2 Sn -","- C160 H132 N8 P4 Pd4 S8 Sn4 -","4","1","","Erik Wachtler; Robert Gericke; Lyuben Zhechkov; Thomas Heine; Thorsten Langer; Birgit Gerke; Rainer Pottgen; Jorg Wagler","Pyridine-2-thiolate bridged tin-palladium complexes with Sn(PdN2Cl2), Sn(PdN2S2), Sn(PdN2C2) and Sn(Pd2N4) skeletons","Chem.Commun.","2014","50","","5382","","10.1039/C3CC47912A","","","0.71073","MoKα","","0.0372","0.0294","","","0.0694","0.072","","","","","","1.056","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112642","13.84","0.0006","14.3813","0.0006","17.0641","0.0007","71.399","0.003","75.459","0.003","72.174","0.003","3019.8","0.2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H62 N4 O2 P2 Pd2 S4 Sn -","- C64 H62 N4 O2 P2 Pd2 S4 Sn -","- C128 H124 N8 O4 P4 Pd4 S8 Sn2 -","2","1","","Erik Wachtler; Robert Gericke; Lyuben Zhechkov; Thomas Heine; Thorsten Langer; Birgit Gerke; Rainer Pottgen; Jorg Wagler","Pyridine-2-thiolate bridged tin-palladium complexes with Sn(PdN2Cl2), Sn(PdN2S2), Sn(PdN2C2) and Sn(Pd2N4) skeletons","Chem.Commun.","2014","50","","5382","","10.1039/C3CC47912A","","","0.71073","MoKα","","0.0375","0.028","","","0.0669","0.0705","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7112643","7.6067","0.0005","16.4862","0.0012","43.712","0.003","90","","90","","90","","5481.7","0.7","100","2","100","2","","","","","","","AstraZeneca","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N5 O5.5 S2 -","- C26 H32 N5 O5.5 S2 -","- C208 H256 N40 O44 S16 -","8","2","","Michael J. Waring; David M. Andrews; Paul F. Faulder; Vikki Flemington; Jennifer C. McKelvie; Sarita Maman; Marian Preston; Piotr Raubo; Graeme R. Robb; Karen Roberts; Rachel Rowlinson; James M. Smith; Martin E. Swarbrick; Iris Treinies; Jon J. G. Winter; Robert J. Wood","Potent, selective small molecule inhibitors of type III phosphatidylinositol-4-kinase alpha- but not beta-inhibit the phosphatidylinositol signaling cascade and cancer cell proliferation","Chem.Commun.","2014","50","","5388","","10.1039/C3CC48391F","","","0.71073","MoKα","","0.0594","0.0569","","","0.1495","0.1517","","","","","","1.115","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7112644","14.4018","0.0005","24.2154","0.0008","19.5295","0.0007","90","","104.543","0.001","90","","6592.6","0.4","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H82 Cl2 Mg5 O18 -","- C62 H82 Cl2 Mg5 O18 -","- C248 H328 Cl8 Mg20 O72 -","4","1","","Emily G. Nelson; Jeff W. Kampf; Bart M. Bartlett","Enhanced oxidative stability of non-Grignard magnesium electrolytes through ligand modification","Chem.Commun.","2014","50","","5193","","10.1039/C3CC47277A","","","0.71073","MoKα","","0.0575","0.0423","","","0.1067","0.1178","","","","","","1.006","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112645","19.9228","0.0004","15.0009","0.0003","28.215","0.002","90","","90","","90","","8432.3","0.6","85","2","85","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H52 Al Cl6 F3 Mg2 O7 -","- C31 H52 Al Cl6 F3 Mg2 O7 -","- C248 H416 Al8 Cl48 F24 Mg16 O56 -","8","1","","Emily G. Nelson; Jeff W. Kampf; Bart M. Bartlett","Enhanced oxidative stability of non-Grignard magnesium electrolytes through ligand modification","Chem.Commun.","2014","50","","5193","","10.1039/C3CC47277A","","","1.54178","CuKα","","0.0843","0.0807","","","0.2135","0.2162","","","","","","1.072","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112646","13.1714","0.0007","13.8135","0.0007","25.8235","0.0013","90","","95.322","0.001","90","","4678.2","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","{[k3-(1-pz)2HB(N=CHCH3)]Ru(cymene)}+, TfO-","","","- C19 H25 B F3 N5 O3 Ru S -","- C19 H25 B F3 N5 O3 Ru S -","- C152 H200 B8 F24 N40 O24 Ru8 S8 -","8","2","","Zhiyao Lu; Travis J. Williams","A dual site catalyst for mild, selective nitrile reduction","Chem.Commun.","2014","50","","5391","","10.1039/C3CC47384H","","","0.71073","MoKα","","0.054","0.0377","","","0.0815","0.0883","","","","","","1.025","","","","has coordinates,has disorder","291305","2024-04-21","14:38:33",""
"7112647","18.52","0.003","19.184","0.003","25.574","0.004","90.61","0.002","99.342","0.002","90.718","0.002","8964","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C224 H216 Co16 O84 S16 -","- C224 H208 Co16 O84 S16 -","- C224 H208 Co16 O84 S16 -","1","0.5","","Feng-Rong Dai; Dustin C. Becht; Zhenqiang Wang","Modulating guest binding in sulfonylcalixarene-based metal-organic supercontainers","Chem.Commun.","2014","50","","5385","","10.1039/C3CC47420H","","","0.71073","MoKα","","0.0926","0.0747","","","0.2183","0.2406","","","","","","0.97","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112648","18.4577","0.0011","19.1682","0.0011","25.4945","0.0015","90.175","0.001","99.653","0.001","91.189","0.001","8890.2","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C224 H216 Ni16 O84 S16 -","- C224 H208 Ni16 O84 S16 -","- C224 H208 Ni16 O84 S16 -","1","0.5","","Feng-Rong Dai; Dustin C. Becht; Zhenqiang Wang","Modulating guest binding in sulfonylcalixarene-based metal-organic supercontainers","Chem.Commun.","2014","50","","5385","","10.1039/C3CC47420H","","","0.71073","MoKα","","0.0611","0.0501","","","0.1514","0.1591","","","","","","1.065","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112649","21.147","0.004","26.432","0.005","28.226","0.005","107.25","0.002","97.364","0.002","92.921","0.002","14877","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C260 H316 N12 Ni20 O132 S24 -","- C260 H284 N12 Ni20 O132 S24 -","- C260 H284 N12 Ni20 O132 S24 -","1","0.5","","Feng-Rong Dai; Dustin C. Becht; Zhenqiang Wang","Modulating guest binding in sulfonylcalixarene-based metal-organic supercontainers","Chem.Commun.","2014","50","","5385","","10.1039/C3CC47420H","","","0.71073","MoKα","","0.2202","0.1972","","","0.5824","0.6248","","","","","","1.253","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112650","8.4357","0.0008","13.7411","0.0014","15.5693","0.0015","79.68","0.002","80.34","0.002","89.731","0.002","1749.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Organic salt","Organic salt","","- C18 H24 B Cl N2 O0.41 -","- C18 H24 B Cl N2 O0.408 -","- C72 H96 B4 Cl4 N8 O1.632 -","4","2","","S. Pal; P. Y. Zavalij; A. N. Vedernikov","Oxidative C(sp3)-H bond cleavage, C-C and C[double bond, length as m-dash]C coupling at a boron center with O2 as the oxidant mediated by platinum(II)","Chem.Commun.","2014","50","","5376","","10.1039/C3CC47445C","","","0.71073","MoKα","","0.0531","0.047","","","0.0915","0.0942","","","","","","1","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112651","13.7998","0.001","10.3648","0.0008","14.9296","0.0011","90","","111.49","0.0011","90","","1987","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pt-complex","Pt-complex","","- C21 H31 B N2 Pt -","- C21 H31 B N2 Pt -","- C84 H124 B4 N8 Pt4 -","4","1","","S. Pal; P. Y. Zavalij; A. N. Vedernikov","Oxidative C(sp3)-H bond cleavage, C-C and C[double bond, length as m-dash]C coupling at a boron center with O2 as the oxidant mediated by platinum(II)","Chem.Commun.","2014","50","","5376","","10.1039/C3CC47445C","","","0.71073","MoKα","","0.0296","0.0252","","","0.0536","0.055","","","","","","1","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112652","8.763","0.0007","12.1564","0.0009","13.1947","0.001","107.216","0.001","103.338","0.001","97.3974","0.0011","1276.7","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Pt-complex","Pt-complex","","- C28 H33 B N2 O4 Pt -","- C28 H33 B N2 O4 Pt -","- C56 H66 B2 N4 O8 Pt2 -","2","1","","S. Pal; P. Y. Zavalij; A. N. Vedernikov","Oxidative C(sp3)-H bond cleavage, C-C and C[double bond, length as m-dash]C coupling at a boron center with O2 as the oxidant mediated by platinum(II)","Chem.Commun.","2014","50","","5376","","10.1039/C3CC47445C","","","0.71073","MoKα","","0.0349","0.0265","","","0.0551","0.058","","","","","","1","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112653","17.5793","0.0011","17.8585","0.0011","17.6641","0.0011","90","","116.313","0.0008","90","","4970.9","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Pt-complex","Pt-complex","","- C23 H36 B N2 Na O4.25 Pt -","- C23 H36 B N2 Na O4.25 Pt -","- C184 H288 B8 N16 Na8 O34 Pt8 -","8","2","","S. Pal; P. Y. Zavalij; A. N. Vedernikov","Oxidative C(sp3)-H bond cleavage, C-C and C[double bond, length as m-dash]C coupling at a boron center with O2 as the oxidant mediated by platinum(II)","Chem.Commun.","2014","50","","5376","","10.1039/C3CC47445C","","","0.71073","MoKα","","0.0424","0.0314","","","0.0657","0.0697","","","","","","1","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112654","16.9694","0.0006","10.1758","0.0006","7.7382","0.0003","90","","92.801","0.003","90","","1334.61","0.11","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C17 H20 O -","- C17 H20 O -","- C68 H80 O4 -","4","1","","Susan M. Stevenson; Eric T. Newcomb; Eric M. Ferreira","C-C bond migration in the cycloisomerization of oxygen-tethered 1,6-enynes","Chem.Commun.","2014","50","","5239","","10.1039/C3CC47499B","","","0.71073","MoKα","","0.0344","0.0323","","","0.0884","0.0898","","","","","","1.064","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112655","7.7668","0.0001","13.4614","0.0003","21.3473","0.0004","90","","90","","90","","2231.9","0.07","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N S -","- C14 H13 N S -","- C112 H104 N8 S8 -","8","1","","Selin Ergun; Corrine F. Elliott; Aman Preet Kaur; Sean R. Parkin; Susan A. Odom","Overcharge performance of 3,7-disubstituted N-ethylphenothiazine derivatives in lithium-ion batteries","Chem.Commun.","2014","50","","5339","","10.1039/C3CC47503D","","","0.71073","MoKα","","0.0526","0.0366","","","0.0946","0.1021","","","","","","1.055","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112656","11.0824","0.0001","13.7811","0.0002","8.6341","0.0002","90","","90","","90","","1318.67","0.04","90","0.2","90","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H17 N S -","- C16 H17 N S -","- C64 H68 N4 S4 -","4","0.5","","Selin Ergun; Corrine F. Elliott; Aman Preet Kaur; Sean R. Parkin; Susan A. Odom","Overcharge performance of 3,7-disubstituted N-ethylphenothiazine derivatives in lithium-ion batteries","Chem.Commun.","2014","50","","5339","","10.1039/C3CC47503D","","","0.71073","MoKα","","0.0456","0.0382","","","0.1056","0.1106","","","","","","1.069","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112657","7.4009","0.0001","18.5613","0.0003","9.8967","0.0002","90","","90","","90","","1359.51","0.04","90","0.2","90","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H11 N3 S -","- C16 H11 N3 S -","- C64 H44 N12 S4 -","4","0.5","","Selin Ergun; Corrine F. Elliott; Aman Preet Kaur; Sean R. Parkin; Susan A. Odom","Overcharge performance of 3,7-disubstituted N-ethylphenothiazine derivatives in lithium-ion batteries","Chem.Commun.","2014","50","","5339","","10.1039/C3CC47503D","","","1.54178","CuKα","","0.0318","0.031","","","0.0886","0.0898","","","","","","1.105","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112658","11.21","0.001","11.7733","0.0011","16.4895","0.0015","90.787","0.001","109.724","0.001","106.301","0.001","1952","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H120 Fe2 N4 O2 Si4 Y2 -","- C80 H120 Fe2 N4 O2 Si4 Y2 -","- C80 H120 Fe2 N4 O2 Si4 Y2 -","1","0.5","","Wenliang Huang; Paul M. Abukhalil; Saeed I. Khan; Paula L. Diaconescu","Group 3 metal stilbene complexes: synthesis, reactivity, and electronic structure studies","Chem.Commun.","2014","50","","5221","","10.1039/C3CC47505K","","","0.71073","MoKα","","0.0533","0.0374","","","0.0904","0.0967","","","","","","1.035","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112659","14.082","0.004","15.074","0.004","28.493","0.008","90","","90.343","0.004","90","","6048","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58 H94 Fe K N2 O7 Si2 Y -","- C58 H94 Fe K N2 O7 Si2 Y -","- C232 H376 Fe4 K4 N8 O28 Si8 Y4 -","4","1","","Wenliang Huang; Paul M. Abukhalil; Saeed I. Khan; Paula L. Diaconescu","Group 3 metal stilbene complexes: synthesis, reactivity, and electronic structure studies","Chem.Commun.","2014","50","","5221","","10.1039/C3CC47505K","","","0.71073","MoKα","","0.089","0.0498","","","0.1047","0.1197","","","","","","1.017","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112660","15.097","0.008","26.925","0.015","20.626","0.011","90","","108.031","0.006","90","","7972","7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H102 Fe2 N4 O2 Si4 Y2 -","- C66 H102 Fe2 N4 O2 Si4 Y2 -","- C264 H408 Fe8 N16 O8 Si16 Y8 -","4","1","","Wenliang Huang; Paul M. Abukhalil; Saeed I. Khan; Paula L. Diaconescu","Group 3 metal stilbene complexes: synthesis, reactivity, and electronic structure studies","Chem.Commun.","2014","50","","5221","","10.1039/C3CC47505K","","","0.71073","MoKα","","0.0791","0.0479","","","0.1218","0.1322","","","","","","1.038","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112661","11.323","0.004","11.909","0.005","16.767","0.007","89.093","0.005","70.339","0.005","70.83","0.005","1999.7","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H116 Fe2 La2 N4 O2 Si4 -","- C80 H116 Fe2 La2 N4 O2 Si4 -","- C80 H116 Fe2 La2 N4 O2 Si4 -","1","0.5","","Wenliang Huang; Paul M. Abukhalil; Saeed I. Khan; Paula L. Diaconescu","Group 3 metal stilbene complexes: synthesis, reactivity, and electronic structure studies","Chem.Commun.","2014","50","","5221","","10.1039/C3CC47505K","","","0.71073","MoKα","","0.0621","0.0551","","","0.1379","0.1421","","","","","","1.077","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112662","12.115","0.004","17.497","0.006","19.614","0.006","82.581","0.004","84.72","0.004","72.458","0.004","3925","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H92 Fe2 N4 O Si4 Y2 -","- C64 H92 Fe2 N4 O Si4 Y2 -","- C128 H184 Fe4 N8 O2 Si8 Y4 -","2","1","","Wenliang Huang; Paul M. Abukhalil; Saeed I. Khan; Paula L. Diaconescu","Group 3 metal stilbene complexes: synthesis, reactivity, and electronic structure studies","Chem.Commun.","2014","50","","5221","","10.1039/C3CC47505K","","","0.71073","MoKα","","0.0609","0.0463","","","0.1303","0.1367","","","","","","1.06","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112737","9.589","0.0007","9.7155","0.0006","10.3144","0.0007","62.929","0.003","81.411","0.004","84.972","0.005","845.83","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H14 O3 -","- C23 H14 O3 -","- C46 H28 O6 -","2","1","","Chia-Jui Lee; Chia-Ning Sheu; Cheng-Che Tsai; Zong-Ze Wu; Wenwei Lin","Direct beta-acylation of 2-arylidene-1,3-indandiones with acyl chlorides catalyzed by organophosphanes","Chem.Commun.","2014","50","","5304","","10.1039/C3CC45201h","","","0.71073","MoKα","","0.074","0.0469","","","0.1275","0.169","","","","","","1.08","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112738","12.4059","0.0011","19.6766","0.0016","10.5992","0.0009","90","","109.927","0.003","90","","2432.4","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O5 -","- C29 H24 N2 O5 -","- C116 H96 N8 O20 -","4","1","","Chia-Jui Lee; Chia-Ning Sheu; Cheng-Che Tsai; Zong-Ze Wu; Wenwei Lin","Direct beta-acylation of 2-arylidene-1,3-indandiones with acyl chlorides catalyzed by organophosphanes","Chem.Commun.","2014","50","","5304","","10.1039/C3CC45201h","","","0.71073","MoKα","","0.1083","0.0563","","","0.1317","0.1712","","","","","","1.025","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112739","31.751","0.008","10.414","0.003","12.219","0.003","90","","94.638","0.006","90","","4027","1.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H15 N O4 -","- C26 H15 N O4 -","- C208 H120 N8 O32 -","8","1","","Chia-Jui Lee; Chia-Ning Sheu; Cheng-Che Tsai; Zong-Ze Wu; Wenwei Lin","Direct beta-acylation of 2-arylidene-1,3-indandiones with acyl chlorides catalyzed by organophosphanes","Chem.Commun.","2014","50","","5304","","10.1039/C3CC45201h","","","0.71073","MoKα","","0.1953","0.0768","","","0.2104","0.2928","","","","","","0.977","","","","has coordinates,has disorder","180241","2020-10-21","18:00:00",""
"7112740","14.269","0.003","11.125","0.003","25.27","0.004","90","","90.184","0.006","90","","4011.4","1.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O4 -","- C25 H19 N O4 -","- C200 H152 N8 O32 -","8","2","","Chia-Jui Lee; Chia-Ning Sheu; Cheng-Che Tsai; Zong-Ze Wu; Wenwei Lin","Direct beta-acylation of 2-arylidene-1,3-indandiones with acyl chlorides catalyzed by organophosphanes","Chem.Commun.","2014","50","","5304","","10.1039/C3CC45201h","","","0.71073","MoKα","","0.1579","0.0665","","","0.1363","0.1811","","","","","","0.935","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112741","9.4489","0.0008","13.8295","0.0013","15.1615","0.0012","110.428","0.004","104.078","0.004","100.733","0.004","1718.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H13 N O5 -","- C22 H13 N O5 -","- C88 H52 N4 O20 -","4","2","","Chia-Jui Lee; Chia-Ning Sheu; Cheng-Che Tsai; Zong-Ze Wu; Wenwei Lin","Direct beta-acylation of 2-arylidene-1,3-indandiones with acyl chlorides catalyzed by organophosphanes","Chem.Commun.","2014","50","","5304","","10.1039/C3CC45201h","","","0.71073","MoKα","","0.1243","0.0527","","","0.134","0.2059","","","","","","0.957","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112742","10.1664","0.0009","11.6963","0.0011","17.6206","0.0015","92.092","0.002","106.72","0.002","114.912","0.002","1789.7","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 Br N2 O -","- C23 H13 Br N2 O -","- C92 H52 Br4 N8 O4 -","4","2","","Chia-Jui Lee; Chia-Ning Sheu; Cheng-Che Tsai; Zong-Ze Wu; Wenwei Lin","Direct beta-acylation of 2-arylidene-1,3-indandiones with acyl chlorides catalyzed by organophosphanes","Chem.Commun.","2014","50","","5304","","10.1039/C3CC45201h","","","0.71073","MoKα","","0.0683","0.0424","","","0.11","0.1379","","","","","","1.035","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112743","8.1355","0.001","9.9649","0.0011","12.9125","0.0016","70.085","0.007","83.705","0.009","84.108","0.008","975.9","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H15 N3 O2 -","- C26 H15 N3 O2 -","- C52 H30 N6 O4 -","2","1","","Chia-Jui Lee; Chia-Ning Sheu; Cheng-Che Tsai; Zong-Ze Wu; Wenwei Lin","Direct beta-acylation of 2-arylidene-1,3-indandiones with acyl chlorides catalyzed by organophosphanes","Chem.Commun.","2014","50","","5304","","10.1039/C3CC45201h","","","0.71073","MoKα","","0.1219","0.0716","","","0.1692","0.1983","","","","","","1.022","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112744","23.3565","0.0006","23.3565","0.0006","23.3565","0.0006","90","","90","","90","","12741.6","0.6","200","2","200","2","","","","","","","","6","F 2 3","F 2 2 3","196","","","","- C13.5 H14.5 Cl2 Co2.5 N4.5 O6.5 -","- C13.5 H14.52 Cl2 Co2.5 N4.5 O6.51 -","- C216 H232.32 Cl32 Co40 N72 O104.16 -","16","0.333333","","Rebecca J. Holmberg; Marika Kay; Ilia Korobkov; Eugene Kadantsev; Peter G. Boyd; Tomoko Aharen; Serge Desgreniers; Tom K. Woo; Muralee Murugesu","An unprecedented CoII cuboctahedron as the secondary building unit in a Co-based metal-organic framework","Chem.Commun.","2014","50","","5333","","10.1039/C3CC46396F","","","0.71073","MoKα","","0.0632","0.0512","","","0.1138","0.1182","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112745","11.1132","0.0009","16.0672","0.0013","17.0331","0.0014","77.983","0.005","76.94","0.005","74.647","0.004","2821.1","0.4","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C59 H71 Ce N7 O8 -","- C59 H71 Ce N7 O8 -","- C118 H142 Ce2 N14 O16 -","2","1","","Heui Beom Lee; Justin A. Bogart; Patrick J. Carroll; Eric J. Schelter","Structural and electrochemical characterization of a cerium(IV) hydroxamate complex: implications for the beneficiation of light rare earth ores","Chem.Commun.","2014","50","","5361","","10.1039/C3CC46486E","","","0.71073","MoKα","","0.0599","0.0488","","","0.1213","0.1316","","","","","","1.148","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112746","6.4499","0.0011","13.834","0.002","7.0464","0.0012","90","","90.24","0.003","90","","628.73","0.18","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","Markus Feurer; Georg Frey; Hieu-Trinh Luu; Daniel Kratzert; Jan Streuff","The cross-selective titanium(III)-catalysed acyloin reaction","Chem.Commun.","2014","50","","5370","","10.1039/C3CC46894A","","","0.71073","MoKα","","0.0318","0.0308","","","0.081","0.0817","","","","","","1.058","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112747","14.1452","0.0006","14.4666","0.0005","14.8725","0.0006","80.425","0.002","63.572","0.002","68.429","0.002","2534.46","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H19 Al Cl2 F36 O4 -","- C47 H19 Al Cl2 F36 O4 -","- C94 H38 Al2 Cl4 F72 O8 -","2","1","","Raphael J. F. Berger; Matthew J. Fuchter; Ingo Krossing; Henry S. Rzepa; Julia Schaefer; Harald Scherer","Gold(I) mediated rearrangement of [7]-helicene to give a benzo[cd]pyrenium cation embedded in a chiral framework","Chem.Commun.","2014","50","","5251","","10.1039/C3CC46986G","","","0.71073","MoKα","","0.1164","0.071","","","0.1683","0.1923","","","","","","1.042","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112748","15.906","0.003","15.906","0.003","10.6715","0.0017","90","","90","","120","","2338.2","0.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H38 B2 Co N18 O12 -","- C12 H38 B2 Co N18 O12 -","- C36 H114 B6 Co3 N54 O36 -","3","0.166667","","Brianna C. Hughes; Zheng Lu; David M. Jenkins","The final unadorned tris(azolyl)borate: finishing what Trofimenko started in 1966","Chem.Commun.","2014","50","","5273","","10.1039/C3CC47151A","","","0.71073","MoKα","","0.0391","0.0269","","","0.0585","0.0648","","","","","","1.066","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112749","15.8445","0.0013","15.8445","0.0013","10.5951","0.0009","90","","90","","120","","2303.5","0.3","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H38 B2 Fe N18 O12 -","- C12 H38 B2 Fe N18 O12 -","- C36 H114 B6 Fe3 N54 O36 -","3","0.166667","","Brianna C. Hughes; Zheng Lu; David M. Jenkins","The final unadorned tris(azolyl)borate: finishing what Trofimenko started in 1966","Chem.Commun.","2014","50","","5273","","10.1039/C3CC47151A","","","0.71073","MoKα","","0.0311","0.0274","","","0.0672","0.0691","","","","","","1.063","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112750","15.9039","0.0008","15.9039","0.0008","10.6402","0.0006","90","","90","","120","","2330.7","0.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H38 B2 N18 Ni O12 -","- C12 H38 B2 N18 Ni O12 -","- C36 H114 B6 N54 Ni3 O36 -","3","0.166667","","Brianna C. Hughes; Zheng Lu; David M. Jenkins","The final unadorned tris(azolyl)borate: finishing what Trofimenko started in 1966","Chem.Commun.","2014","50","","5273","","10.1039/C3CC47151A","","","0.71073","MoKα","","0.0254","0.0249","","","0.1082","0.1088","","","","","","1.029","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112751","11.1072","0.0008","13.4631","0.0009","15.5981","0.0011","90","","109.566","0.001","90","","2197.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 B2 Cd N18 -","- C12 H14 B2 Cd N18 -","- C48 H56 B8 Cd4 N72 -","4","0.5","","Brianna C. Hughes; Zheng Lu; David M. Jenkins","The final unadorned tris(azolyl)borate: finishing what Trofimenko started in 1966","Chem.Commun.","2014","50","","5273","","10.1039/C3CC47151A","","","0.71073","MoKα","","0.0268","0.0204","","","0.0483","0.0512","","","","","","1.045","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112752","13.1478","0.0006","13.1478","0.0006","13.1478","0.0006","90","","90","","90","","2272.79","0.18","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C6 H7 B N9 Na -","- C6 H7 B N9 Na -","- C48 H56 B8 N72 Na8 -","8","0.333333","","Brianna C. Hughes; Zheng Lu; David M. Jenkins","The final unadorned tris(azolyl)borate: finishing what Trofimenko started in 1966","Chem.Commun.","2014","50","","5273","","10.1039/C3CC47151A","","","0.71073","MoKα","","0.0248","0.0238","","","0.0654","0.0662","","","","","","1.104","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112753","9.6082","0.0007","12.7842","0.0009","14.6055","0.001","74.979","0.003","71.027","0.003","77.567","0.003","1621.7","0.2","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H47 N3 O7 -","- C31 H47 N3 O7 -","- C62 H94 N6 O14 -","2","1","","Xiaodong Hou; Zhihan Wang; Molly Overby; Angel Ugrinov; Casey Oian; Rajiv Singh; Qianli R. Chu","A two-dimensional hydrogen bonded organic framework self-assembled from a three-fold symmetric carbamate","Chem.Commun.","2014","50","","5209","","10.1039/C3CC47159D","","","0.71073","MoKα","","0.0939","0.076","","","0.2335","0.256","","","","","","1.049","","","","has coordinates,has disorder","180241","2020-10-21","18:00:00",""
"7112754","8.9512","0.0004","13.4411","0.0006","14.6433","0.0006","75.921","0.002","73.652","0.002","71.945","0.002","1583.64","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H45 N3 O6 -","- C33 H45 N3 O6 -","- C66 H90 N6 O12 -","2","1","","Xiaodong Hou; Zhihan Wang; Molly Overby; Angel Ugrinov; Casey Oian; Rajiv Singh; Qianli R. Chu","A two-dimensional hydrogen bonded organic framework self-assembled from a three-fold symmetric carbamate","Chem.Commun.","2014","50","","5209","","10.1039/C3CC47159D","","","0.71073","MoKα","","0.0533","0.0437","","","0.1155","0.127","","","","","","1.054","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112755","9.7843","0.0005","12.0137","0.0006","12.5621","0.0006","109.821","0.002","102.469","0.002","93.99","0.002","1339.89","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H39 N3 O6 -","- C27 H39 N3 O6 -","- C54 H78 N6 O12 -","2","1","","Xiaodong Hou; Zhihan Wang; Molly Overby; Angel Ugrinov; Casey Oian; Rajiv Singh; Qianli R. Chu","A two-dimensional hydrogen bonded organic framework self-assembled from a three-fold symmetric carbamate","Chem.Commun.","2014","50","","5209","","10.1039/C3CC47159D","","","0.71073","MoKα","","0.0444","0.0361","","","0.088","0.0933","","","","","","1.031","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112756","10.0767","0.0005","12.0867","0.0005","14.5514","0.0006","72.469","0.003","70.442","0.003","80.967","0.003","1589.34","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H49 N3 O6 -","- C32 H49 N3 O6 -","- C64 H98 N6 O12 -","2","1","","Xiaodong Hou; Zhihan Wang; Molly Overby; Angel Ugrinov; Casey Oian; Rajiv Singh; Qianli R. Chu","A two-dimensional hydrogen bonded organic framework self-assembled from a three-fold symmetric carbamate","Chem.Commun.","2014","50","","5209","","10.1039/C3CC47159D","","","0.71073","MoKα","","0.0913","0.0598","","","0.1609","0.1868","","","","","","1.053","","","","has coordinates,has disorder","180241","2020-10-21","18:00:00",""
"7112757","9.8219","0.0003","12.3012","0.0004","12.6085","0.0004","109.671","0.002","102.008","0.002","94.201","0.002","1386","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H39 N3 O6 -","- C27 H39 N3 O6 -","- C54 H78 N6 O12 -","2","1","","Xiaodong Hou; Zhihan Wang; Molly Overby; Angel Ugrinov; Casey Oian; Rajiv Singh; Qianli R. Chu","A two-dimensional hydrogen bonded organic framework self-assembled from a three-fold symmetric carbamate","Chem.Commun.","2014","50","","5209","","10.1039/C3CC47159D","","","0.71073","MoKα","","0.0966","0.0771","","","0.2339","0.2548","","","","","","1.058","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112758","9.3142","0.0006","12.979","0.001","14.8266","0.001","78.059","0.004","73.016","0.004","74.112","0.004","1632.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H51 N3 O6 -","- C33 H51 N3 O6 -","- C66 H102 N6 O12 -","2","1","","Xiaodong Hou; Zhihan Wang; Molly Overby; Angel Ugrinov; Casey Oian; Rajiv Singh; Qianli R. Chu","A two-dimensional hydrogen bonded organic framework self-assembled from a three-fold symmetric carbamate","Chem.Commun.","2014","50","","5209","","10.1039/C3CC47159D","","","0.71073","MoKα","","0.0948","0.0762","","","0.1701","0.1837","","","","","","1.189","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112759","9.0114","0.0003","13.5216","0.0005","14.3876","0.0005","75.211","0.002","72.344","0.002","72.914","0.002","1570.01","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31.8 H46.21 N3 O6.6 -","- C31.796 H46.204 N3 O6.602 -","- C63.592 H92.408 N6 O13.204 -","2","1","","Xiaodong Hou; Zhihan Wang; Molly Overby; Angel Ugrinov; Casey Oian; Rajiv Singh; Qianli R. Chu","A two-dimensional hydrogen bonded organic framework self-assembled from a three-fold symmetric carbamate","Chem.Commun.","2014","50","","5209","","10.1039/C3CC47159D","","","1.54178","CuKα","","0.0624","0.048","","","0.1235","0.1344","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7113096","8.7795","0.0005","11.4369","0.0008","12.4788","0.0008","102.414","0.006","100.722","0.005","102.556","0.005","1158.28","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 F4 N O3 S -","- C26 H19 F4 N O3 S -","- C52 H38 F8 N2 O6 S2 -","2","1","","Thakur, Anuj; Manohar, Sunny; Vélez Gerena, Christian E.; Zayas, Beatriz; Kumar, Vineet; Malhotra, Sanjay V.; Rawat, Diwan S.","Novel 3,5-bis(arylidiene)-4-piperidone based monocarbonyl analogs of curcumin: anticancer activity evaluation and mode of action study","MedChemComm","2014","5","5","576","","10.1039/c3md00399j","","","0.71073","MoKα","","0.0999","0.0611","","","0.1028","0.1156","","","","","","1.044","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113097","16.2535","0.0011","7.7798","0.0004","22.0549","0.0014","90","","107.949","0.008","90","","2653.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Cl2 N4 O4 Ru -","- C26 H27 Cl2 N4 O4 Ru -","- C104 H108 Cl8 N16 O16 Ru4 -","4","1","","Fan, Cundong; Wu, Qiong; Chen, Tianfeng; Zhang, Yibo; Zheng, Wenjie; Wang, Qi; Mei, Wenjie","Arene ruthenium(ii) complexes induce S-phase arrest in MG-63 cells through stabilization of c-Myc G-quadruplex DNA","MedChemComm","2014","5","5","597","","10.1039/c3md00367a","","","0.71073","MoKα","","0.0768","0.0592","","","0.1503","0.165","","","","","","1.098","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113299","9.0724","0.0002","11.4713","0.0003","13.9904","0.0003","90","","100.651","0.0013","90","","1430.93","0.06","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 N5 O -","- C13 H23 N5 O -","- C52 H92 N20 O4 -","4","1","","Boltjes, André; Liao, George P.; Zhao, Ting; Herdtweck, Eberhardt; Dömling, Alexander","Ugi 4-CR Synthesis of γ- and δ-Lactams providing new access to diverse enzyme interactions, a PDB analysis.","MedChemComm","2014","5","7","949","952","10.1039/C4MD00162A","","","0.71073","MoKα","","0.032","0.0302","","","0.0748","0.0764","","","","","","1.033","","","","has coordinates","180246","2020-10-21","18:00:00",""
"7113300","6.5462","0.0002","9.257","0.0002","10.5529","0.0003","65.9412","0.001","81.5752","0.0011","89.9391","0.0011","576.41","0.03","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H17 N5 O -","- C11 H17 N5 O -","- C22 H34 N10 O2 -","2","1","","Boltjes, André; Liao, George P.; Zhao, Ting; Herdtweck, Eberhardt; Dömling, Alexander","Ugi 4-CR Synthesis of γ- and δ-Lactams providing new access to diverse enzyme interactions, a PDB analysis.","MedChemComm","2014","5","7","949","952","10.1039/C4MD00162A","","","0.71073","MoKα","","0.0312","0.0303","","","0.0765","0.0774","","","","","","1.05","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113301","26.6036","0.0006","6.3028","0.0001","15.4666","0.0003","90","","109.781","0.0009","90","","2440.37","0.08","123","1","123","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 N5 O1.5 -","- C10 H18 N5 O1.5 -","- C80 H144 N40 O12 -","8","1","","Boltjes, André; Liao, George P.; Zhao, Ting; Herdtweck, Eberhardt; Dömling, Alexander","Ugi 4-CR Synthesis of γ- and δ-Lactams providing new access to diverse enzyme interactions, a PDB analysis.","MedChemComm","2014","5","7","949","952","10.1039/C4MD00162A","","","0.71073","MoKα","","0.0385","0.0348","","","0.0887","0.0911","","","","","","1.049","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7113302","9.9162","0.0003","11.9389","0.0003","21.5252","0.0007","90","","90","","90","","2548.34","0.13","123","1","123","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H19 N5 O -","- C12 H19 N5 O -","- C96 H152 N40 O8 -","8","1","","Boltjes, André; Liao, George P.; Zhao, Ting; Herdtweck, Eberhardt; Dömling, Alexander","Ugi 4-CR Synthesis of γ- and δ-Lactams providing new access to diverse enzyme interactions, a PDB analysis.","MedChemComm","2014","5","7","949","952","10.1039/C4MD00162A","","","0.71073","MoKα","","0.0407","0.0359","","","0.0959","0.0994","","","","","","1.082","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113303","7.3534","0.0003","25.5994","0.0008","9.1479","0.0003","90","","95.024","0.002","90","","1715.41","0.1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl N2 O2 -","- C19 H17 Cl N2 O2 -","- C76 H68 Cl4 N8 O8 -","4","2","","Humphrey, John M.; Yang, Eddie; Ende, Christopher W. am; Arnold, Eric P.; Head, Jenna L.; Jenkinson, Stephen; Lebel, Lorraine A.; Liras, Spiros; Pandit, Jayvardhan; Samas, Brian; Vajdos, Felix; Simons, Samuel P.; Evdokimov, Artem; Mansour, Mahmoud; Menniti, Frank S.","Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1","MedChemComm","2014","5","9","1290","","10.1039/C4MD00113C","","","1.54178","CuKα","","0.0617","0.0502","","","0.1445","0.1637","","","","","","1.122","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113304","22.4999","0.0005","22.4999","0.0005","31.3098","0.0012","90","","90","","90","","15850.4","0.8","123","0.1","123","0.1","","","","","","","","6","P 42/n n m","-P 4ac 2bc","134","","","","- C208 H330 Cu6 F144 N74 P24 -","- C168 H270 Cu6 F96 N54 P16 -","- C336 H540 Cu12 F192 N108 P32 -","2","","","Anssi Peuronen; Samu Forsblom; Manu Lahtinen","Sterically controlled self-assembly of tetrahedral M6L4 cages via cationic N-donor ligands","Chem.Commun.","2014","50","","5469","","10.1039/C3CC49663E","","","1.54184","CuKα","","0.1186","0.0939","","","0.2699","0.2989","","","","","","1.021","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113305","31.8441","0.0002","31.8441","0.0002","31.8441","0.0002","90","","90","","90","","32291.4","0.4","123","0.1","123","0.1","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C208 H336 Cu6 F144 N68 P24 -","- C179.998 H288 Cu6 F119.998 N54 P20 -","- C719.99 H1152 Cu24 F479.992 N216 P80 -","4","0.0208333","","Anssi Peuronen; Samu Forsblom; Manu Lahtinen","Sterically controlled self-assembly of tetrahedral M6L4 cages via cationic N-donor ligands","Chem.Commun.","2014","50","","5469","","10.1039/C3CC49663E","","","1.54184","CuKα","","0.1413","0.1338","","","0.3689","0.3827","","","","","","1.842","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113306","25.2831","0.0002","25.2831","0.0002","25.2831","0.0002","90","","90","","90","","16161.8","0.2","123","0.1","123","0.1","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C190 H267 Cu6 F108 N53 O90 S36 -","- C148 H246 Cu6 F12 N36 O18 S4 -","- C296 H492 Cu12 F24 N72 O36 S8 -","2","0.0416667","","Anssi Peuronen; Samu Forsblom; Manu Lahtinen","Sterically controlled self-assembly of tetrahedral M6L4 cages via cationic N-donor ligands","Chem.Commun.","2014","50","","5469","","10.1039/C3CC49663E","","","1.54184","CuKα","","0.0638","0.0564","","","0.1542","0.1632","","","","","","0.994","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113308","8.7096","0.0017","12.026","0.002","14.473","0.003","109.672","0.002","104.195","0.003","98.167","0.003","1341.3","0.4","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H46.1 F3.9 Fe2 N12 -","- C66 H46.1 F3.9 Fe2 N12 -","- C66 H46.1 F3.9 Fe2 N12 -","1","0.5","","Tomoyuki Mochida; Yusuke Funasako; Kousuke Takazawa; Masashi Takahashi; Michio M. Matsushita; Tadashi Sugawara","Chemical control of the monovalent-divalent electron-transfer phase transition in biferrocenium-TCNQ salts","Chem.Commun.","2014","50","","5473","","10.1039/C4CC01296H","","","0.71073","MoKα","","0.1217","0.1107","","","0.2783","0.2914","","","","","","1.132","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7113309","8.6943","0.0011","12.0631","0.0016","14.3534","0.0018","109.208","0.002","105.134","0.002","97.578","0.002","1332.5","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H44 F3 Fe2 N12 -","- C65 H44 F3 Fe2 N12 -","- C65 H44 F3 Fe2 N12 -","1","0.5","","Tomoyuki Mochida; Yusuke Funasako; Kousuke Takazawa; Masashi Takahashi; Michio M. Matsushita; Tadashi Sugawara","Chemical control of the monovalent-divalent electron-transfer phase transition in biferrocenium-TCNQ salts","Chem.Commun.","2014","50","","5473","","10.1039/C4CC01296H","","","0.71073","MoKα","","0.0404","0.0393","","","0.1063","0.1072","","","","","","1.025","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113311","21.397","0.006","22.344","0.006","22.907","0.006","78.315","0.007","84.749","0.006","79.607","0.006","10532","5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C85.5 H95.5 Cl4.5 N8 O12 S24 -","- C85.5 H95.5 Cl4.5 N8 O12 S24 -","- C342 H382 Cl18 N32 O48 S96 -","4","2","","Steffen Bahring; Dong Sub Kim; Troels Duedal; Vincent M. Lynch; Kent A. Nielsen; Jan O. Jeppesen; Jonathan L. Sessler","Use of solvent to regulate the degree of polymerisation in weakly associated supramolecular oligomers","Chem.Commun.","2014","50","","5497","","10.1039/C4CC01514B","","","0.71075","MoKα","","0.3141","0.1478","","","0.2394","0.3375","","","","","","1.164","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113312","16.645","0.006","18.555","0.007","20.012","0.006","85.987","0.002","68.623","0.002","81.231","0.003","5687","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H104 Cl8 N8 O12 S24 -","- C87 H100 Cl4 N8 O12 S24 -","- C174 H200 Cl8 N16 O24 S48 -","2","1","","Steffen Bahring; Dong Sub Kim; Troels Duedal; Vincent M. Lynch; Kent A. Nielsen; Jan O. Jeppesen; Jonathan L. Sessler","Use of solvent to regulate the degree of polymerisation in weakly associated supramolecular oligomers","Chem.Commun.","2014","50","","5497","","10.1039/C4CC01514B","","","0.71075","MoKα","","0.2256","0.1385","","","0.3197","0.3599","","","","","","1.227","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113313","17.3624","0.0012","17.5374","0.0013","21.322","0.002","103.499","0.008","108.269","0.009","107.023","0.008","5503.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H104 Cl6 N8 O12 S24 -","- C89 H104 Cl6 N8 O12 S24 -","- C178 H208 Cl12 N16 O24 S48 -","2","1","","Steffen Bahring; Dong Sub Kim; Troels Duedal; Vincent M. Lynch; Kent A. Nielsen; Jan O. Jeppesen; Jonathan L. Sessler","Use of solvent to regulate the degree of polymerisation in weakly associated supramolecular oligomers","Chem.Commun.","2014","50","","5497","","10.1039/C4CC01514B","","","0.71075","MoKα","","0.1375","0.1244","","","0.3248","0.3295","","","","","","1.991","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113314","8.8345","0.0011","35.591","0.004","16.246","0.002","90","","93.437","0.006","90","","5099","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H40 Cr3 Mn2 N5 O46 -","- C18 Cr3 Mn2 N O36 -","- C72 Cr12 Mn8 N4 O144 -","4","0.5","","Catalin Maxim; Sylvie Ferlay; Hiroko Tokoro; Shin-Ichi Ohkoshi; Cyrille Train","Atypical stoichiometry for a 3D bimetallic oxalate-based long-range ordered magnet exhibiting high proton conductivity","Chem.Commun.","2014","50","","5629","","10.1039/C4CC00607K","","","0.71073","MoKα","","0.0886","0.0732","","","0.1734","0.1807","","","","","","1.066","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113315","13.6312","0.0015","9.0492","0.001","27.107","0.003","90","","90","","90","","3343.7","0.6","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H19 N -","- C23 H19 N -","- C184 H152 N8 -","8","2","","Zhou, Wang; Lei, Jianhua","Palladium-catalyzed synthesis of polysubstituted quinolines from 2-amino aromatic ketones and alkynes","Chemical Communications (Cambridge, United Kingdom)","2014","50","42","5583","5585","10.1039/c4cc00939h","","","0.71073","MoKα","","0.0402","0.0337","","","0.0949","0.099","","","","","","1.016","","","","has coordinates","210863","2020-10-21","18:00:00",""
"7113316","15.8239","0.0002","13.6512","0.0002","23.5101","0.0004","90","","109.302","0.0006","90","","4793.07","0.12","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H58 Ge Mo O4 S2 -","- C55 H58 Ge Mo O4 S2 -","- C220 H232 Ge4 Mo4 O16 S8 -","4","1","","Felicitas Lips; Joshua D. Queen; James C. Fettinger; Philip P. Power","Unusual coordination of tetrylenes to molybdenum carbonyl fragments","Chem.Commun.","2014","50","","5561","","10.1039/C4CC00999A","","","1.54178","CuKα","","0.0605","0.0519","","","0.1491","0.1579","","","","","","1.049","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113317","13.4501","0.0002","14.5803","0.0002","14.8084","0.0003","64.754","0.001","86.388","0.001","88.823","0.001","2621.36","0.08","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H66 Mo O5 S2 Sn -","- C59 H66 Mo O5 S2 Sn -","- C118 H132 Mo2 O10 S4 Sn2 -","2","1","","Felicitas Lips; Joshua D. Queen; James C. Fettinger; Philip P. Power","Unusual coordination of tetrylenes to molybdenum carbonyl fragments","Chem.Commun.","2014","50","","5561","","10.1039/C4CC00999A","","","1.54178","CuKα","","0.034","0.0332","","","0.0892","0.0922","","","","","","1.047","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113318","13.1027","0.001","14.4748","0.0011","14.889","0.0012","73.751","0.003","67.107","0.003","86.712","0.004","2493.3","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 Mo O4 S2 Sn -","- C52 H50 Mo O4 S2 Sn -","- C104 H100 Mo2 O8 S4 Sn2 -","2","1","","Felicitas Lips; Joshua D. Queen; James C. Fettinger; Philip P. Power","Unusual coordination of tetrylenes to molybdenum carbonyl fragments","Chem.Commun.","2014","50","","5561","","10.1039/C4CC00999A","","","1.54178","CuKα","","0.0339","0.0324","","","0.085","0.0859","","","","","","1.106","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113319","11.6899","0.0003","34.815","0.0008","10.7405","0.0003","90","","110.59","0.003","90","","4092","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 Cl2 F6 Ir N5 P S2 -","- C39 H27 Cl2 F6 Ir N5 P S2 -","- C156 H108 Cl8 F24 Ir4 N20 P4 S8 -","4","1","","Liang He; Si-Yan Liao; Cai-Ping Tan; Yi-Ying Lu; Cui-Xia Xu; Liang-Nian Ji; Zong-Wan Mao","Cyclometalated iridium(III)-beta-carboline complexes as potent autophagy-inducing agents","Chem.Commun.","2014","50","","5611","","10.1039/C4CC01461H","","","0.71073","MoKα","","0.0419","0.0341","","","0.0732","0.0766","","","","","","1.065","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7113320","16.589","0.002","16.589","0.002","9.584","0.002","90","","90","","90","","2637.5","0.7","90","","90","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C64 H40 Cu2 N2 O8 -","- C64 H40 Cu2 N2 O8 -","- C128 H80 Cu4 N4 O16 -","2","0.125","","Yuichi Takasaki; Satoshi Takamizawa","A preferable molecular crystal membrane for H2 gas separation","Chem.Commun.","2014","50","","5662","","10.1039/C4CC01494D","","","0.71073","MoKα","","0.0806","0.0519","","","0.14","0.1493","","","","","","0.958","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113321","37.5718","0.0009","10.8548","0.0002","16.9834","0.0004","90","","113.393","0.004","90","","6357.1","0.3","160","2","160","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C60.5 H55 Cl F12 N8 O4.5 P2 Ru2 S2 -","- C60.5 H55 Cl F12 N8 O4.5 P2 Ru2 S2 -","- C242 H220 Cl4 F48 N32 O18 P8 Ru8 S8 -","4","1","","Zheng-Zheng Li; Su-Yang Yao; Jin-Ji Wu; Bao-Hui Ye","In situ generation of sulfoxides with predetermined chirality via a structural template with a chiral-at-metal ruthenium complex","Chem.Commun.","2014","50","","5644","","10.1039/C4CC01907E","","","1.54178","CuKα","","0.0385","0.0379","","","0.0995","0.1005","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7113322","9.4645","0.0005","9.4645","0.0005","68.31","0.004","90","","90","","90","","6119","0.6","163","2","163","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C30 H27 F6 N4 O3.5 P Ru S -","- C30 H27 F6 N4 O3.5 P Ru S -","- C240 H216 F48 N32 O28 P8 Ru8 S8 -","8","1","","Zheng-Zheng Li; Su-Yang Yao; Jin-Ji Wu; Bao-Hui Ye","In situ generation of sulfoxides with predetermined chirality via a structural template with a chiral-at-metal ruthenium complex","Chem.Commun.","2014","50","","5644","","10.1039/C4CC01907E","","","1.54184","CuKα","","0.091","0.0884","","","0.1878","0.189","","","","","","1.13","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113323","9.4537","0.0004","9.4537","0.0004","68.322","0.012","90","","90","","90","","6106.1","1.1","153","2","153","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C30 H27 F6 N4 O3.5 P Ru S -","- C30 H27 F6 N4 O3.5 P Ru S -","- C240 H216 F48 N32 O28 P8 Ru8 S8 -","8","1","","Zheng-Zheng Li; Su-Yang Yao; Jin-Ji Wu; Bao-Hui Ye","In situ generation of sulfoxides with predetermined chirality via a structural template with a chiral-at-metal ruthenium complex","Chem.Commun.","2014","50","","5644","","10.1039/C4CC01907E","","","1.54178","CuKα","","0.1079","0.104","","","0.2233","0.2255","","","","","","1.165","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113324","17.4539","0.001","11.1081","0.0005","20.214","0.0009","90","","114.518","0.003","90","","3565.7","0.3","293","1","293","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H45 N O5 P2 -","- C40 H45 N O5 P2 -","- C160 H180 N4 O20 P8 -","4","1","","Javier Ruiz; Marta P. Gonzalo; Marilin Vivanco; Santiago; Garcia-Grand","Synthesis and derivatization of highly-functionalized ?5-phospholes","Chem.Commun.","2014","50","","5597","","10.1039/C4CC02089H","","","1.5418","CuKα","","0.0878","0.057","","","0.1565","0.1989","","","","","","1.112","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113325","43.016","0.013","11.494","0.004","34.049","0.007","90","","122.46","0.01","90","","14205","7","293","1","293","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H41 N O3.5 P2 -","- C39 H41 N O3.5 P2 -","- C624 H656 N16 O56 P32 -","16","2","","Javier Ruiz; Marta P. Gonzalo; Marilin Vivanco; Santiago; Garcia-Grand","Synthesis and derivatization of highly-functionalized ?5-phospholes","Chem.Commun.","2014","50","","5597","","10.1039/C4CC02089H","","","1.5418","CuKα","","0.1987","0.0626","","","0.1334","0.1658","","","","","","1.039","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113326","61.933","0.002","17.13","0.0004","21.7555","0.0007","90","","94.674","0.003","90","","23003.9","1.2","120","0.1","120","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C55 H65 Cl6 N O P2 Ru2 -","- C55 H65 Cl6 N O P2 Ru2 -","- C880 H1040 Cl96 N16 O16 P32 Ru32 -","16","2","","Javier Ruiz; Marta P. Gonzalo; Marilin Vivanco; Santiago; Garcia-Grand","Synthesis and derivatization of highly-functionalized ?5-phospholes","Chem.Commun.","2014","50","","5597","","10.1039/C4CC02089H","","","0.7107","MoKα","","0.208","0.1134","","","0.226","0.2743","","","","","","1.045","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113327","9.4205","0.0005","11.9369","0.0011","13.5029","0.0011","68.758","0.008","77.535","0.005","84.902","0.006","1381.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Cl N4 O9 V -","- C26 H27 Cl N4 O9 V -","- C52 H54 Cl2 N8 O18 V2 -","2","1","","Samya Banerjee; Akanksha Dixit; Radhika N. Shridharan; Anjali A. Karande; Akhil R. Chakravarty","Endoplasmic reticulum targeted chemotherapeutics: the remarkable photo-cytotoxicity of an oxovanadium(IV) vitamin-B6 complex in visible light","Chem.Commun.","2014","50","","5590","","10.1039/C4CC02093F","","","0.71073","MoKα","","0.0862","0.0578","","","0.1246","0.1439","","","","","","1.036","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113328","6.06","0.0002","17.8904","0.0007","15.1129","0.0006","90","","96.9109","0.0016","90","","1626.57","0.11","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-hydroxy-2,5,5-trimethyl-3,4-diphenylcyclopentanone","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Yonghoon Kwon; Owen Scadeng; Robert McDonald; F. G. West","?-Hydroxycyclopentanones via one-pot oxidation of the trimethylaluminum-mediated Nazarov reaction with triplet oxygen","Chem.Commun.","2014","50","","5558","","10.1039/C4CC02330G","","","1.54178","CuKα","","0.0461","0.0421","","","0.1138","0.1184","","","","","","1.045","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113329","6.191","0.002","8.211","0.003","14.477","0.005","93.911","0.004","96.054","0.005","109.796","0.004","684.3","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2-hydroxy-2,5,5-trimethyl-3,4-diisopropylcyclopentanone","","- C14 H26 O2 -","- C14 H26 O2 -","- C28 H52 O4 -","2","1","","Yonghoon Kwon; Owen Scadeng; Robert McDonald; F. G. West","?-Hydroxycyclopentanones via one-pot oxidation of the trimethylaluminum-mediated Nazarov reaction with triplet oxygen","Chem.Commun.","2014","50","","5558","","10.1039/C4CC02330G","","","0.71073","MoKα","","0.0592","0.0472","","","0.1218","0.131","","","","","","1.088","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113330","22.516","0.0006","5.6843","0.0002","21.2628","0.0006","90","","90","","90","","2721.38","0.14","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","6-hydroxy-6,7a-dimethyl-5-phenylhexahydrocyclopenta[b]pyran-7(2H)-one","","- C16 H20 O3 -","- C16 H20 O3 -","- C128 H160 O24 -","8","2","","Yonghoon Kwon; Owen Scadeng; Robert McDonald; F. G. West","?-Hydroxycyclopentanones via one-pot oxidation of the trimethylaluminum-mediated Nazarov reaction with triplet oxygen","Chem.Commun.","2014","50","","5558","","10.1039/C4CC02330G","","","1.54178","CuKα","","0.048","0.0459","","","0.1139","0.1159","","","","","","1.033","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113360","8.4189","0.0012","10.2968","0.0008","14.6301","0.0019","70.264","0.01","86.034","0.011","81.468","0.009","1180.3","0.3","293.89","0.1","293.89","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 N O4 S -","- C27 H27 N O4 S -","- C54 H54 N2 O8 S2 -","2","1","","Hui Shao; Xiao-Ming Zhang; Shao-Hua Wang; Fu-Min Zhang; Yong-Qiang Tu; Chao Yang","Propargylic cation-induced intermolecular electrophilic addition-semipinacol rearrangement","Chem.Commun.","2014","50","","5691","","10.1039/C3CC49650C","","","0.7107","MoKα","","0.0825","0.052","","","0.1228","0.1494","","","","","","1.05","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113361","6.4601","0.0016","12.695","0.003","13.331","0.002","90","","100.56","0.02","90","","1074.8","0.4","294.68","0.1","294.68","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 N O3 S -","- C24 H25 N O3 S -","- C48 H50 N2 O6 S2 -","2","1","","Hui Shao; Xiao-Ming Zhang; Shao-Hua Wang; Fu-Min Zhang; Yong-Qiang Tu; Chao Yang","Propargylic cation-induced intermolecular electrophilic addition-semipinacol rearrangement","Chem.Commun.","2014","50","","5691","","10.1039/C3CC49650C","","","0.7107","MoKα","","0.1704","0.0703","","","0.1204","0.1754","","","","","","0.977","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113362","12.5769","0.0011","7.8178","0.0004","12.5456","0.0008","90","","115.695","0.01","90","","1111.55","0.16","293.83","0.1","293.83","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Hui Shao; Xiao-Ming Zhang; Shao-Hua Wang; Fu-Min Zhang; Yong-Qiang Tu; Chao Yang","Propargylic cation-induced intermolecular electrophilic addition-semipinacol rearrangement","Chem.Commun.","2014","50","","5691","","10.1039/C3CC49650C","","","0.7107","MoKα","","0.0822","0.0553","","","0.1645","0.1992","","","","","","1.091","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113363","9.536","0.006","16.366","0.011","16.808","0.011","90","","95.474","0.013","90","","2611","3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Br O6 S2 -","- C28 H25 Br O6 S2 -","- C112 H100 Br4 O24 S8 -","4","1","","Zheng, Jie; Huang, You; Li, Zhengming","Phosphine-catalyzed sequential annulation domino reaction: rapid construction of bicyclo[4.1.0]heptene skeletons","Chemical Communications (Cambridge, United Kingdom)","2014","50","","5710","5713","10.1039/c4cc01097c","","","0.71073","MoKα","","0.0751","0.0475","","","0.0886","0.0967","","","","","","1.014","","","","has coordinates","210987","2020-10-21","18:00:00",""
"7113364","14.939","0.0016","9.9164","0.0011","19.963","0.002","90","","90","","90","","2957.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","1","","Yevgen M. Poronik; Daniel T. Gryko","Pentacyclic coumarin-based blue emitters ‒ the case of bifunctional nucleophilic behavior of amidines","Chem.Commun.","2014","50","","5688","","10.1039/C4CC01106F","","","1.54178","CuKα","","0.041","0.0393","","","0.1101","0.1117","","","","","","1.058","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113365","11.7014","0.0009","11.8444","0.001","14.6285","0.0012","87.903","0.003","80.315","0.003","74.374","0.002","1924.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 B Hg Mn2 O4 -","- C20 H15 B Hg Mn2 O4 -","- C80 H60 B4 Hg4 Mn8 O16 -","4","2","","Rudiger Bertermann; Holger Braunschweig; William C. Ewing; Thomas Kramer; Ashwini K. Phukan; Alfredo Vargas; Christine Werner","Synthesis and characterization of a mercury-containing trimetalloboride","Chem.Commun.","2014","50","","5729","","10.1039/C4CC01246A","","","0.71073","MoKα","","0.0237","0.019","","","0.0396","0.041","","","","","","1.034","","","","has coordinates,has disorder","180247","2020-10-21","18:00:00",""
"7113366","16.3472","0.0008","16.3472","0.0008","28.0214","0.0016","90","","90","","120","","6485","0.6","373","","373","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C32 H24 O12 P4 Zr -","- C32 O12 P4 Zr -","- C192 O72 P24 Zr6 -","6","0.5","","Marco Taddei; Ferdinando Costantino; Riccardo Vivani; Stefano Sabatini; Sang-Ho Lim; Seth M. Cohen","The use of a rigid tritopic phosphonic ligand for the synthesis of a robust honeycomb-like layered zirconium phosphonate framework","Chem.Commun.","2014","50","","5737","","10.1039/C4CC01253D","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.10936","","1.54","","","","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113367","12.3183","0.0011","12.3183","0.0011","36.329","0.003","90","","90","","90","","5512.6","0.8","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C28 H27 Br N2 O5 -","- C28 H27 Br N2 O5 -","- C224 H216 Br8 N16 O40 -","8","1","","Liwei Zou; Xiaoze Bao; Yuanyuan Ma; Yuming Song; Jingping Qu; Baomin Wang","Novel tartrate-derived guanidine-catalyzed highly enantio- and diastereoselective Michael addition of 3-substituted oxindoles to nitroolefins","Chem.Commun.","2014","50","","5760","","10.1039/C4CC01817F","","","0.71073","MoKα","","0.0753","0.0475","","","0.1208","0.1328","","","","","","1","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113409","10.8292","0.00007","19.22488","0.00015","15.69535","0.0001","90","","90.2215","0.0006","90","","3267.59","0.04","240","2","240","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Cl4 N2 O4 Pd -","- C32 H32 Cl4 N2 O4 Pd -","- C128 H128 Cl16 N8 O16 Pd4 -","4","1","","Stephan Scholer; Maike H. Wahl; Nicole I. C. Wurster; Arik Puls; Christof Hattig; Gerald Dyker","Bidentate cycloimidate palladium complexes with aliphatic and aromatic anagostic bonds","Chem.Commun.","2014","50","","5909","","10.1039/C4CC01060D","","","1.54184","CuKα","","0.0338","0.031","","","0.0817","0.0843","","","","","","1.02","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113410","10.08922","0.00016","15.4848","0.0002","21.0438","0.0003","90","","77.5137","0.0015","90","","3209.9","0.08","110","2","110.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl2 N2 O4 Pd -","- C36 H32 Cl2 N2 O4 Pd -","- C144 H128 Cl8 N8 O16 Pd4 -","4","2","","Stephan Scholer; Maike H. Wahl; Nicole I. C. Wurster; Arik Puls; Christof Hattig; Gerald Dyker","Bidentate cycloimidate palladium complexes with aliphatic and aromatic anagostic bonds","Chem.Commun.","2014","50","","5909","","10.1039/C4CC01060D","","","0.71073","MoKα","","0.024","0.0219","","","0.0498","0.0509","","","","","","1.069","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7113411","9.72","0.0004","16.5858","0.0006","18.421","0.0008","90","","90","","90","","2969.7","0.2","113","2","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 Cl2 N2 O4 Pd -","- C32 H32 Cl2 N2 O4 Pd -","- C128 H128 Cl8 N8 O16 Pd4 -","4","1","","Stephan Scholer; Maike H. Wahl; Nicole I. C. Wurster; Arik Puls; Christof Hattig; Gerald Dyker","Bidentate cycloimidate palladium complexes with aliphatic and aromatic anagostic bonds","Chem.Commun.","2014","50","","5909","","10.1039/C4CC01060D","","","0.71073","MoKα","","0.0451","0.0293","","","0.0374","0.0388","","","","","","0.781","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113412","9.80633","0.00012","13.99186","0.00013","22.0766","0.0002","90","","94.1682","0.0011","90","","3021.09","0.05","106","2","106.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H62 Cl8 N2 O8 Pd2 -","- C56 H62 Cl8 N2 O8 Pd2 -","- C112 H124 Cl16 N4 O16 Pd4 -","2","1","","Stephan Scholer; Maike H. Wahl; Nicole I. C. Wurster; Arik Puls; Christof Hattig; Gerald Dyker","Bidentate cycloimidate palladium complexes with aliphatic and aromatic anagostic bonds","Chem.Commun.","2014","50","","5909","","10.1039/C4CC01060D","","","1.54184","CuKα","","0.0381","0.0358","","","0.0955","0.0975","","","","","","1.035","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113413","21.217","0.003","21.217","0.003","35.704","0.005","90","","90","","120","","13919","3","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C131 H214.8 Br9.2 Mn19 N6 O71.8 -","- C120 H138.8 Br9.2004 Mn19 N6 O60.8002 -","- C360 H416.4 Br27.6012 Mn57 N18 O182.401 -","3","0.166667","","Ayuk M. Ako; Yanhua Lan; Oliver Hampe; Eduard Cremades; Eliseo Ruiz; Christopher E. Anson; Annie K. Powell","All-round robustness of the Mn19 coordination cluster system: experimental validation of a theoretical prediction","Chem.Commun.","2014","50","","5847","","10.1039/C4CC01264J","","","0.8","synchrotron","","0.0833","0.0632","","","0.1837","0.2013","","","","","","1.084","","","","has coordinates,has disorder","180248","2020-10-21","18:00:00",""
"7113414","14.1015","0.001","16.5323","0.0012","18.1689","0.0015","93.821","0.006","99.472","0.006","95.429","0.006","4144.6","0.6","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C132 H188 Cl8 Mn19 N6 O58 -","- C132 H159 Cl8 Mn19 N6 O58 -","- C132 H159 Cl8 Mn19 N6 O58 -","1","0.5","","Ayuk M. Ako; Yanhua Lan; Oliver Hampe; Eduard Cremades; Eliseo Ruiz; Christopher E. Anson; Annie K. Powell","All-round robustness of the Mn19 coordination cluster system: experimental validation of a theoretical prediction","Chem.Commun.","2014","50","","5847","","10.1039/C4CC01264J","","","0.71073","MoKα","","0.1044","0.0583","","","0.129","0.1467","","","","","","0.989","","","","has coordinates,has disorder","180248","2020-10-21","18:00:00",""
"7113415","14.492","0.004","14.229","0.004","24.85","0.007","90","","103.181","0.004","90","","4989","2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H43 B F24 N3 Na O -","- C45 H43 B F24 N3 Na O -","- C180 H172 B4 F96 N12 Na4 O4 -","4","1","","Matthew Everett; Andrew Jolleys; William Levason; David Pugh; Gillian Reid","Unexpected neutral aza-macrocycle complexes of sodium","Chem.Commun.","2014","50","","5843","","10.1039/C4CC01407C","","","0.71073","MoKα","","0.087","0.0723","","","0.1613","0.1728","","","","","","1.05","","","","has coordinates,has disorder","180248","2020-10-21","18:00:00",""
"7113416","43.057","0.002","12.6237","0.0006","21.2793","0.0015","90","","100.93","0.007","90","","11356.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 B F24 N6 Na -","- C50 H54 B F24 N6 Na -","- C400 H432 B8 F192 N48 Na8 -","8","1","","Matthew Everett; Andrew Jolleys; William Levason; David Pugh; Gillian Reid","Unexpected neutral aza-macrocycle complexes of sodium","Chem.Commun.","2014","50","","5843","","10.1039/C4CC01407C","","","0.71073","MoKα","","0.1636","0.0917","","","0.2346","0.2706","","","","","","1.057","","","","has coordinates,has disorder","180248","2020-10-21","18:00:00",""
"7113417","12.784","0.002","12.8958","0.0019","18.089","0.002","91.602","0.002","98.258","0.003","114.446","0.002","2674","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 B F24 N4 Na O -","- C50 H52 B F24 N4 Na O -","- C100 H104 B2 F48 N8 Na2 O2 -","2","1","","Matthew Everett; Andrew Jolleys; William Levason; David Pugh; Gillian Reid","Unexpected neutral aza-macrocycle complexes of sodium","Chem.Commun.","2014","50","","5843","","10.1039/C4CC01407C","","","0.71073","MoKα","","0.0668","0.0577","","","0.1352","0.1415","","","","","","1.062","","","","has coordinates,has disorder","180248","2020-10-21","18:00:00",""
"7113418","9.6774","0.0013","10.7714","0.0014","10.8244","0.0014","83.284","0.006","82.174","0.006","82.924","0.006","1103.5","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C41 H34 B F24 N3 -","- C41 H34 B F24 N3 -","- C41 H34 B F24 N3 -","1","1","","Matthew Everett; Andrew Jolleys; William Levason; David Pugh; Gillian Reid","Unexpected neutral aza-macrocycle complexes of sodium","Chem.Commun.","2014","50","","5843","","10.1039/C4CC01407C","","","0.71073","MoKα","","0.0637","0.051","","","0.1045","0.1115","","","","","","1.031","","","","has coordinates,has disorder","180248","2020-10-21","18:00:00",""
"7113419","9.8446","0.0003","9.9026","0.0003","14.1874","0.0003","93.534","0.002","98.603","0.002","113.704","0.003","1240.78","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl6 Cu N8 Re -","- C16 H18 Cl6 Cu N8 Re -","- C32 H36 Cl12 Cu2 N16 Re2 -","2","1","","Jose Martinez-Lillo; John Kong; Wdeson P. Barros; Juan Faus; Miguel Julve; Euan K. Brechin","Metamagnetic behaviour in a new Cu(II)Re(IV) chain based on the hexachlororhenate(IV) anion","Chem.Commun.","2014","50","","5840","","10.1039/C4CC01564A","","","1.54184","CuKα","","0.0255","0.0234","","","0.0577","0.0588","","","","","","1.033","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113420","10.245","0.0011","11.9217","0.0012","14.9933","0.0015","74.462","0.002","80.159","0.002","78.808","0.002","1717","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H46 B Fe O2 S3 -","- C35 H46 B Fe O2 S3 -","- C70 H92 B2 Fe2 O4 S6 -","2","1","","Peng Wang; Glenn P. A. Yap; Charles G. Riordan","Five-coordinate MII-semiquinonate (M = Fe, Mn, Co) complexes: reactivity models of the catechol dioxygenases","Chem.Commun.","2014","50","","5871","","10.1039/C3CC49143A","","","0.71073","MoKα","","0.0606","0.0415","","","0.1035","0.1148","","","","","","1.009","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113421","10.4043","0.0011","16.4937","0.0018","20.71","0.002","90","","103.018","0.002","90","","3462.6","0.6","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 B Co O2 S3 -","- C35 H46 B Co O2 S3 -","- C140 H184 B4 Co4 O8 S12 -","4","1","","Peng Wang; Glenn P. A. Yap; Charles G. Riordan","Five-coordinate MII-semiquinonate (M = Fe, Mn, Co) complexes: reactivity models of the catechol dioxygenases","Chem.Commun.","2014","50","","5871","","10.1039/C3CC49143A","","","0.71073","MoKα","","0.0313","0.0277","","","0.0747","0.0776","","","","","","1.02","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113422","12.2969","0.0014","9.5371","0.0011","23.054","0.003","90","","90.592","0.002","90","","2703.6","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 B Co I S3 -","- C21 H38 B Co I S3 -","- C84 H152 B4 Co4 I4 S12 -","4","1","","Peng Wang; Glenn P. A. Yap; Charles G. Riordan","Five-coordinate MII-semiquinonate (M = Fe, Mn, Co) complexes: reactivity models of the catechol dioxygenases","Chem.Commun.","2014","50","","5871","","10.1039/C3CC49143A","","","0.71073","MoKα","","0.0342","0.0274","","","0.0575","0.0635","","","","","","1.053","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113423","10.215","0.003","14.928","0.004","35.622","0.008","90","","90","","90","","5432","2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H38 B I Mn S3 -","- C21 H38 B I Mn S3 -","- C168 H304 B8 I8 Mn8 S24 -","8","1","","Peng Wang; Glenn P. A. Yap; Charles G. Riordan","Five-coordinate MII-semiquinonate (M = Fe, Mn, Co) complexes: reactivity models of the catechol dioxygenases","Chem.Commun.","2014","50","","5871","","10.1039/C3CC49143A","","","0.71073","MoKα","","0.0725","0.0456","","","0.0885","0.1019","","","","","","1.01","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113424","22.616","0.006","11.592","0.003","26.845","0.007","90","","95.602","0.006","90","","7004","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H46 B Mn O2 S3 -","- C35 H46 B Mn O2 S3 -","- C280 H368 B8 Mn8 O16 S24 -","8","1","","Peng Wang; Glenn P. A. Yap; Charles G. Riordan","Five-coordinate MII-semiquinonate (M = Fe, Mn, Co) complexes: reactivity models of the catechol dioxygenases","Chem.Commun.","2014","50","","5871","","10.1039/C3CC49143A","","","0.71073","MoKα","","0.0976","0.0585","","","0.1179","0.1392","","","","","","1.028","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113425","12.2674","0.0004","12.7425","0.0004","15.234","0.0005","96.26","0.001","113.471","0.001","98.383","0.001","2124.02","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H70 B Co O2 S3 -","- C40 H70 B Co O2 S3 -","- C80 H140 B2 Co2 O4 S6 -","2","1","","Peng Wang; Glenn P. A. Yap; Charles G. Riordan","Five-coordinate MII-semiquinonate (M = Fe, Mn, Co) complexes: reactivity models of the catechol dioxygenases","Chem.Commun.","2014","50","","5871","","10.1039/C3CC49143A","","","0.71073","MoKα","","0.0583","0.0389","","","0.0883","0.0997","","","","","","1.008","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113426","7.6302","0.0002","8.7719","0.0003","15.6426","0.0006","102.4","0.003","94.431","0.003","104.341","0.003","981.23","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N P2 S2 -","- C19 H23 N P2 S2 -","- C38 H46 N2 P4 S4 -","2","1","","Tobias Moller; Peter Wonneberger; Nadja Kretzschmar; Evamarie Hey-Hawkins","P-chiral phosphorus heterocycles: a straightforward synthesis","Chem.Commun.","2014","50","","5826","","10.1039/C4CC00318G","","","0.71073","MoKα","","0.0409","0.0331","","","0.0797","0.0841","","","","","","1.023","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113427","7.5433","0.0002","14.0457","0.0003","24.3817","0.0004","90","","90","","90","","2583.26","0.1","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 O3 P S -","- C26 H35 O3 P S -","- C104 H140 O12 P4 S4 -","4","1","","Tobias Moller; Peter Wonneberger; Nadja Kretzschmar; Evamarie Hey-Hawkins","P-chiral phosphorus heterocycles: a straightforward synthesis","Chem.Commun.","2014","50","","5826","","10.1039/C4CC00318G","","","0.71073","MoKα","","0.0435","0.0363","","","0.0789","0.0823","","","","","","1.031","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113428","9.899","0.005","13.28","0.005","19.567","0.005","90","","90","","90","","2572.3","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 O3 P S -","- C27 H37 O3 P S -","- C108 H148 O12 P4 S4 -","4","1","","Tobias Moller; Peter Wonneberger; Nadja Kretzschmar; Evamarie Hey-Hawkins","P-chiral phosphorus heterocycles: a straightforward synthesis","Chem.Commun.","2014","50","","5826","","10.1039/C4CC00318G","","","0.71073","MoKα","","0.0305","0.0263","","","0.0645","0.0662","","","","","","1.044","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113429","9.9928","0.0002","13.316","0.0002","19.1769","0.0003","90","","90","","90","","2551.76","0.08","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N O3 P S -","- C26 H36 N O3 P S -","- C104 H144 N4 O12 P4 S4 -","4","1","","Tobias Moller; Peter Wonneberger; Nadja Kretzschmar; Evamarie Hey-Hawkins","P-chiral phosphorus heterocycles: a straightforward synthesis","Chem.Commun.","2014","50","","5826","","10.1039/C4CC00318G","","","0.71073","MoKα","","0.044","0.0356","","","0.0711","0.0743","","","","","","1.033","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113430","16.0608","0.0016","11.825","0.0012","17.8998","0.0018","90","","112.165","0.002","90","","3148.3","0.6","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H31 O3 P -","- C41 H31 O3 P -","- C164 H124 O12 P4 -","4","1","","Xiaolin Pan; Mo Chen; Liangqing Yao; Jie Wu","Access to 6H-naphtho[2,3-c]chromenes by a palladium-catalyzed reaction of 2-haloaryl allene with 2-alkynylphenol","Chem.Commun.","2014","50","","5891","","10.1039/C4CC00374H","","","0.71073","MoKα","","0.0559","0.0425","","","0.12","0.1375","","","","","","1.061","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113913","17.607","0.005","21.831","0.005","22.897","0.005","90","0.005","90","0.005","90","0.005","8801","4","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C12 H68 Cl2 Mn2 N6 O66 W17 -","- C12 H48 Cl2 Mn2 N6 O59 W17 -","- C48 H192 Cl8 Mn8 N24 O236 W68 -","4","0.5","","Yan-Qing Jiao; Chao Qin; Xin-Long Wang; Fu-Hong Liu; Peng Huang; Chun-Gang Wang; Kui-Zhan Shao; Zhong-Min Su","Redox-controlled delta-Dawson {Mn2^III^W17} polyoxometalate with photocatalytic H2 evolution activity","Chem.Commun.","2014","50","","5961","","10.1039/C3CC47703G","","","0.71069","MoKα","","0.0808","0.0591","","","0.1427","0.1564","","","","","","1.024","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113914","15.141","0.002","15.141","0.002","19.257","0.004","90","","90","","90","","4414.7","1.2","293","2","293","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C16 H80 Cu4 N16 Nb12 O59 P V6 -","- C16 H64 Cu4 N16 Nb12 O59 P V6 -","- C32 H128 Cu8 N32 Nb24 O118 P2 V12 -","2","0.125","","Jian-Qiang Shen; Ying Zhang; Zhi-Ming Zhang; Yang-Guang Li; Yan-Qing Gao; En-Bo Wang","Polyoxoniobate-based 3D framework materials with photocatalytic hydrogen evolution activity","Chem.Commun.","2014","50","","6017","","10.1039/C3CC49245A","","","0.71073","MoKα","","0.0746","0.0649","","","0.2049","0.2145","","","","","","1.002","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113915","15.229","0.002","15.229","0.002","19.207","0.004","90","","90","","90","","4454.5","1.2","293","2","293","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C24 H97 Cu4 N16 Nb12 O57 P V6 -","- C24 H80 Cu4 N16 Nb12 O57 P V6 -","- C48 H160 Cu8 N32 Nb24 O114 P2 V12 -","2","0.125","","Jian-Qiang Shen; Ying Zhang; Zhi-Ming Zhang; Yang-Guang Li; Yan-Qing Gao; En-Bo Wang","Polyoxoniobate-based 3D framework materials with photocatalytic hydrogen evolution activity","Chem.Commun.","2014","50","","6017","","10.1039/C3CC49245A","","","0.71073","MoKα","","0.0765","0.0645","","","0.2105","0.2226","","","","","","1.038","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113916","16.0175","0.0003","9.629","0.0002","19.5279","0.0005","90","","98.57","0.001","90","","2978.21","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N O3 S2 -","- C36 H31 N O3 S2 -","- C144 H124 N4 O12 S8 -","4","1","","Mickael Dos Santos; Paul W. Davies","A gold-catalysed fully intermolecular oxidation and sulfur-ylide formation sequence on ynamides","Chem.Commun.","2014","50","","6001","","10.1039/C4CC01059K","","","0.71073","MoKα","","0.0687","0.0458","","","0.1037","0.115","","","","","","1.037","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113917","10.6176","0.0008","11.3209","0.0007","17.5317","0.001","90","","90","","90","","2107.3","0.2","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br N2 O2 -","- C24 H23 Br N2 O2 -","- C96 H92 Br4 N8 O8 -","4","1","","Clarisa Villegas Gomez; David Cruz Cruz; Rasmus Mose; Karl Anker Jorgensen","Organocatalytic cascade reactions: diversity-oriented synthesis for the construction of hydroisoquinoline scaffolds","Chem.Commun.","2014","50","","6035","","10.1039/C4CC01231C","","","0.56085","AgKα","","0.0283","0.024","","","0.0538","0.0554","","","","","","1.045","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113918","10.103","0.0009","23.756","0.002","14.7387","0.0013","90","","108.424","0.001","90","","3356.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Dy N6 O11 -","- C33 H31 Dy N6 O11 -","- C132 H124 Dy4 N24 O44 -","4","1","","Li Jia; Qi Chen; Yin-Shan Meng; Hao-Ling Sun; Song Gao","Elucidation of slow magnetic relaxation in a ferromagnetic 1D dysprosium chain through magnetic dilution","Chem.Commun.","2014","50","","6052","","10.1039/C4CC01368A","","","0.71073","MoKα","","0.0747","0.0492","","","0.1164","0.1322","","","","","","1.275","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113919","10.0896","0.0005","23.7561","0.001","14.7146","0.0007","90","","108.419","0.001","90","","3346.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 N6 O11 Y -","- C33 H31 N6 O11 Y -","- C132 H124 N24 O44 Y4 -","4","1","","Li Jia; Qi Chen; Yin-Shan Meng; Hao-Ling Sun; Song Gao","Elucidation of slow magnetic relaxation in a ferromagnetic 1D dysprosium chain through magnetic dilution","Chem.Commun.","2014","50","","6052","","10.1039/C4CC01368A","","","0.71073","MoKα","","0.1043","0.06","","","0.1025","0.1208","","","","","","1.1","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113920","10.082","0.0011","23.728","0.003","14.7194","0.0016","90","","108.449","0.002","90","","3340.3","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Dy0.03 N6 O11 Y0.97 -","- C33 H31 Dy0.02 N6 O11 Y0.98 -","- C132 H124 Dy0.08 N24 O44 Y3.92 -","4","1","","Li Jia; Qi Chen; Yin-Shan Meng; Hao-Ling Sun; Song Gao","Elucidation of slow magnetic relaxation in a ferromagnetic 1D dysprosium chain through magnetic dilution","Chem.Commun.","2014","50","","6052","","10.1039/C4CC01368A","","","0.71073","MoKα","","0.0769","0.0446","","","0.1037","0.1149","","","","","","1.02","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113921","7.5317","0.0005","8.8235","0.0006","15.0974","0.0009","90","","90","","90","","1003.31","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","1","","Jose A. Fernandez-Salas; M. Mercedes Rodriguez-Fernandez; M. Carmen Maestro; Jose L. Garcia-Ruano","Stereochemical aspects and the synthetic scope of the SHi at the sulfur atom. Preparation of enantiopure 3-substituted 2,3-dihydro-1,2-benzoisothiazole 1-oxides and 1,1-dioxides","Chem.Commun.","2014","50","","6046","","10.1039/C4CC01831A","","","1.54178","","","0.0251","0.0249","","","0.0667","0.067","","","","","","1.087","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113922","43.7273","0.0013","9.6943","0.0003","19.2365","0.0004","90","","105.83","0.004","90","","7845.2","0.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H39 Cl Cu N O P2 S -","- C44 H39 Cl Cu N O P2 S -","- C352 H312 Cl8 Cu8 N8 O8 P16 S8 -","8","1","","Chien Ing Yeo; Siti Nadiah Abdul Halim; Seik Weng Ng; Seng Lim Tan; Julio Zukerman-Schpector; Marco A. B. Ferreira; Edward R. T. Tiekink","Investigation of putative arene-C-H...pi(quasi-chelate ring) interactions in copper(I) crystal structures","Chem.Commun.","2014","50","","5984","","10.1039/C4CC02040E","","","0.71073","MoKα","","0.0573","0.0388","","","0.0777","0.0876","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7113923","10.1419","0.0003","13.0254","0.0005","15.2772","0.0003","84.35","0.003","76.69","0.002","84.824","0.003","1949.64","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H41 Cl Cu N O P2 S -","- C45 H41 Cl Cu N O P2 S -","- C90 H82 Cl2 Cu2 N2 O2 P4 S2 -","2","1","","Chien Ing Yeo; Siti Nadiah Abdul Halim; Seik Weng Ng; Seng Lim Tan; Julio Zukerman-Schpector; Marco A. B. Ferreira; Edward R. T. Tiekink","Investigation of putative arene-C-H...pi(quasi-chelate ring) interactions in copper(I) crystal structures","Chem.Commun.","2014","50","","5984","","10.1039/C4CC02040E","","","0.71073","MoKα","","0.0441","0.0338","","","0.0793","0.0859","","","","","","0.996","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113924","16.306","0.0008","9.7632","0.0005","25.6601","0.0015","90","","91.484","0.005","90","","4083.7","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H43 Cl Cu N O P2 S -","- C46 H43 Cl Cu N O P2 S -","- C184 H172 Cl4 Cu4 N4 O4 P8 S4 -","4","1","","Chien Ing Yeo; Siti Nadiah Abdul Halim; Seik Weng Ng; Seng Lim Tan; Julio Zukerman-Schpector; Marco A. B. Ferreira; Edward R. T. Tiekink","Investigation of putative arene-C-H...pi(quasi-chelate ring) interactions in copper(I) crystal structures","Chem.Commun.","2014","50","","5984","","10.1039/C4CC02040E","","","0.71073","MoKα","","0.071","0.0441","","","0.0798","0.0937","","","","","","1.054","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113925","24.429","0.005","24.429","0.005","45.411","0.011","90","","90","","90","","27100","10","293","2","293","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C82 H24 N O59 S14 Zn17 -","- C82 H24 N O59 S14 Zn17 -","- C328 H96 N4 O236 S56 Zn68 -","4","0.125","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian","Cooperative ion-exchange and self-redox process to load catalytic metal nanoparticles into a MOF with Johnson-type cages","Chemical Communications (Cambridge, United Kingdom)","2014","50","46","6153","6156","10.1039/c4cc00468j","","","0.71073","MoKα","","0.1026","0.0939","","","0.2989","0.3162","","","","","","1.1","","","","has coordinates,has disorder","210992","2020-10-21","18:00:00",""
"7113926","12.5058","0.0011","10.8672","0.0008","24.496","0.002","90","","102.524","0.001","90","","3249.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 N4 O3 -","- C35 H34 N4 O3 -","- C140 H136 N16 O12 -","4","1","","Bo Jiang; Qin Ye; Wei Fan; Shu-Liang Wang; Shu-Jiang Tu; Guigen Li","Four-component strategy for selective synthesis of azepino[5,4,3-cd]indoles and pyrazolo[3,4-b]pyridines","Chem.Commun.","2014","50","","6108","","10.1039/C4CC00740A","","","0.71073","MoKα","","0.1868","0.1076","","","0.2816","0.322","","","","","","1.079","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113927","18.4011","0.0016","6.1969","0.0005","23.223","0.002","90","","105.394","0.002","90","","2553.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Br2 N4 O -","- C28 H22 Br2 N4 O -","- C112 H88 Br8 N16 O4 -","4","1","","Bo Jiang; Qin Ye; Wei Fan; Shu-Liang Wang; Shu-Jiang Tu; Guigen Li","Four-component strategy for selective synthesis of azepino[5,4,3-cd]indoles and pyrazolo[3,4-b]pyridines","Chem.Commun.","2014","50","","6108","","10.1039/C4CC00740A","","","0.71073","MoKα","","0.2586","0.1119","","","0.2151","0.256","","","","","","1.059","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113928","8.983","0.0018","9.792","0.002","11.223","0.002","73.14","0.03","87.6","0.03","66.13","0.03","860.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 N O2 -","- C23 H17 N O2 -","- C46 H34 N2 O4 -","2","1","","Heng Jiang; Yuanzheng Cheng; Ruzhi Wang; Yan Zhang; Shouyun Yu","Synthesis of isoquinolines via visible light-promoted insertion of vinyl isocyanides with diaryliodonium salts","Chem.Commun.","2014","50","","6164","","10.1039/C4CC01122H","","","0.71073","MoKα","","0.0979","0.0573","","","0.1518","0.1852","","","","","","1.001","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113929","4.7179","0.0009","31.177","0.006","9.2903","0.0019","90","","91.99","0.03","90","","1365.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Yujie Liang; Ke Yu; Bin Li; Shansheng Xu; Haibin Song; Baiquan Wang","Rh(III)-catalyzed synthesis of 1-aminoindole derivatives from 2-acetyl-1-arylhydrazines and diazo compounds in water","Chem.Commun.","2014","50","","6130","","10.1039/C4CC01520G","","","0.71073","MoKα","","0.1805","0.0909","","","0.212","0.272","","","","","","0.939","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113930","8.97","0.0006","6.0133","0.0004","28.3443","0.0018","90","","95.276","0.002","90","","1522.39","0.17","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 S -","- C17 H16 O2 S -","- C68 H64 O8 S4 -","4","2","","Qiao Ren; Shaofa Sun; Jiayao Huang; Wenjun Li; Minghu Wu; Haibing Guo; Jian Wang","An enantioselective cascade reaction between alpha,beta-unsaturated aldehydes and malonic half-thioesters: a rapid access to chiral delta-lactones","Chem.Commun.","2014","50","","6137","","10.1039/C4CC01736F","","","0.71073","MoKα","","0.085","0.0708","","","0.1707","0.1821","","","","","","1.029","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113931","7.66","0.0001","10.1287","0.0002","15.0794","0.0003","80.447","0.001","75.547","0.001","72.994","0.001","1077.91","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","rgz1456","","","- C23 H26 Cl N2 O Rh -","- C23 H26 Cl N2 O Rh -","- C46 H52 Cl2 N4 O2 Rh2 -","2","1","","Angel Manu Martinez; Nuria Rodriguez; Ramon Gomez Arrayas; Juan C. Carretero","Synthesis of alkylidene pyrrolo[3,4-b]pyridin-7-one derivatives via RhIII-catalyzed cascade oxidative alkenylation/annulation of picolinamides","Chem.Commun.","2014","50","","6105","","10.1039/C4CC02322F","","","0.71073","","","0.0226","0.0201","","","0.0583","0.0707","","","","","","1.004","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113932","7.5891","0.0013","11.2221","0.0016","17.124","0.003","90","","90.544","0.006","90","","1458.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","rzg1561","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Angel Manu Martinez; Nuria Rodriguez; Ramon Gomez Arrayas; Juan C. Carretero","Synthesis of alkylidene pyrrolo[3,4-b]pyridin-7-one derivatives via RhIII-catalyzed cascade oxidative alkenylation/annulation of picolinamides","Chem.Commun.","2014","50","","6105","","10.1039/C4CC02322F","","","0.71073","","","0.1442","0.1108","","","0.3595","0.3853","","","","","","1.148","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113933","8.9064","0.0004","9.5245","0.0004","13.4137","0.0006","105.24","0.002","101.204","0.002","101.091","0.002","1040.7","0.08","120","2","120","2","","","","","","","","3","P -1","-P 1","2","azulene-4-1","1,3,5,7-tetra(trifluoromethyl)azulene","","- C14 H4 F12 -","- C14 H4 F12 -","- C42 H12 F36 -","3","1.5","","Tyler T. Clikeman; Eric V. Bukovsky; Igor V. Kuvychko; Long K. San; Shihu H. M. Deng; Xue-Bin Wang; Yu-Sheng Chen; Steven H. Strauss; Olga V. Boltalina","Poly(trifluoromethyl)azulenes: structures and acceptor properties","Chem.Commun.","2014","50","","6263","","10.1039/C4CC00510D","","","0.71073","MoKα","","0.0667","0.0497","","","0.1173","0.1283","","","","","","1.045","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113934","4.8939","0.0003","32.345","0.0018","8.6013","0.0005","90","","94.4396","0.0011","90","","1357.44","0.14","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","AZUL-4-2","1,2,3,5-tetra(trifluoromethyl)azulene","","- C14 H4 F12 -","- C14 H4 F12 -","- C56 H16 F48 -","4","1","","Tyler T. Clikeman; Eric V. Bukovsky; Igor V. Kuvychko; Long K. San; Shihu H. M. Deng; Xue-Bin Wang; Yu-Sheng Chen; Steven H. Strauss; Olga V. Boltalina","Poly(trifluoromethyl)azulenes: structures and acceptor properties","Chem.Commun.","2014","50","","6263","","10.1039/C4CC00510D","","","0.41328","synchrotron","","0.0499","0.0369","","","0.0963","0.1226","","","","","","1.194","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113935","7.2226","0.0007","16.1783","0.0017","21.334","0.002","90","","92.461","0.005","90","","2490.6","0.4","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","AZUL-5-1-pyrene","","","- C31 H13 F15 -","- C31 H13 F15 -","- C124 H52 F60 -","4","1","","Tyler T. Clikeman; Eric V. Bukovsky; Igor V. Kuvychko; Long K. San; Shihu H. M. Deng; Xue-Bin Wang; Yu-Sheng Chen; Steven H. Strauss; Olga V. Boltalina","Poly(trifluoromethyl)azulenes: structures and acceptor properties","Chem.Commun.","2014","50","","6263","","10.1039/C4CC00510D","","","0.71073","MoKα","","0.0441","0.0396","","","0.1056","0.1095","","","","","","1.024","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113936","16.0511","0.0005","25.4637","0.0009","30.2922","0.001","91.6273","0.0018","94.4694","0.0018","90.902","0.002","12336.4","0.7","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C163 H175 F24 N63 O50 P4 -","- C163 H175 F24 N63 O50 P4 -","- C326 H350 F48 N126 O100 P8 -","2","1","","Xisen Hou; Chenfeng Ke; Chuyang Cheng; Nan Song; Anthea K. Blackburn; Amy A. Sarjeant; Youssry Y. Botros; Ying-Wei Yang; J. Fraser","Efficient syntheses of pillar[6]arene-based hetero[4]rotaxanes using a cooperative capture strategy","Chem.Commun.","2014","50","","6196","","10.1039/C4CC00733f","","","1.54178","CuKα","","0.1575","0.1284","","","0.3725","0.3931","","","","","","1.546","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113937","13.948","0.003","10.4836","0.0018","11.642","0.002","90","","90","","90","","1702.4","0.6","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H15 N2 P Se2 -","- C16 H15 N2 P Se2 -","- C64 H60 N8 P4 Se8 -","4","1","","Laura Ascherl; Andreas Nordheider; Kasun S. Athukorala Arachchige; David B. Cordes; Konstantin Karaghiosoff; Michael Buhl; Alexandra M. Z. Slawin; J. Derek Woollins","The activation of Woollins' reagent. Isolation of pyridine stabilised PhPSe2","Chem.Commun.","2014","50","","6214","","10.1039/C4CC01073F","","","0.71075","MoKα","","","0.0392","","","","0.0803","","","","","","1.055","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113938","9.422","0.003","9.57","0.003","21.6","0.006","94.891","0.008","94.728","0.011","106.893","0.009","1845","1","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N4 P2 Se6 -","- C32 H32 N4 P2 Se6 -","- C64 H64 N8 P4 Se12 -","2","1","","Laura Ascherl; Andreas Nordheider; Kasun S. Athukorala Arachchige; David B. Cordes; Konstantin Karaghiosoff; Michael Buhl; Alexandra M. Z. Slawin; J. Derek Woollins","The activation of Woollins' reagent. Isolation of pyridine stabilised PhPSe2","Chem.Commun.","2014","50","","6214","","10.1039/C4CC01073F","","","0.71075","MoKα","","","0.0446","","","","0.1118","","","","","","1.076","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113939","10.406","0.005","15.548","0.007","26.232","0.01","90","","99.693","0.011","90","","4184","3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 N4 P2 Se6 -","- C36 H40 N4 P2 Se6 -","- C144 H160 N16 P8 Se24 -","4","0.5","","Laura Ascherl; Andreas Nordheider; Kasun S. Athukorala Arachchige; David B. Cordes; Konstantin Karaghiosoff; Michael Buhl; Alexandra M. Z. Slawin; J. Derek Woollins","The activation of Woollins' reagent. Isolation of pyridine stabilised PhPSe2","Chem.Commun.","2014","50","","6214","","10.1039/C4CC01073F","","","0.71075","MoKα","","","0.0421","","","","0.0979","","","","","","1.065","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113940","11.284","0.002","11.263","0.002","14.482","0.003","90","","92.71","0.007","90","","1838.5","0.6","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N2 P Se3 -","- C16 H17 N2 P Se3 -","- C64 H68 N8 P4 Se12 -","4","1","","Laura Ascherl; Andreas Nordheider; Kasun S. Athukorala Arachchige; David B. Cordes; Konstantin Karaghiosoff; Michael Buhl; Alexandra M. Z. Slawin; J. Derek Woollins","The activation of Woollins' reagent. Isolation of pyridine stabilised PhPSe2","Chem.Commun.","2014","50","","6214","","10.1039/C4CC01073F","","","0.71075","MoKα","","","0.0294","","","","0.052","","","","","","1.078","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113941","8.7259","0.0011","14.3639","0.0018","16.1845","0.0019","90","","94.997","0.007","90","","2020.8","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N2 P Se3 -","- C18 H21 N2 P Se3 -","- C72 H84 N8 P4 Se12 -","4","1","","Laura Ascherl; Andreas Nordheider; Kasun S. Athukorala Arachchige; David B. Cordes; Konstantin Karaghiosoff; Michael Buhl; Alexandra M. Z. Slawin; J. Derek Woollins","The activation of Woollins' reagent. Isolation of pyridine stabilised PhPSe2","Chem.Commun.","2014","50","","6214","","10.1039/C4CC01073F","","","0.71075","MoKα","","","0.0379","","","","0.0743","","","","","","1.071","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113942","24.1726","0.0015","13.1471","0.0008","21.9126","0.0012","90","","90","","90","","6963.8","0.7","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C86 H84 Cl Nb O2 -","- C86 H84 Cl Nb O2 -","- C344 H336 Cl4 Nb4 O8 -","4","0.5","","Keith Searles; Karlijn Keijzer; Chun-Hsing Chen; Mu-Hyun Baik; Daniel J. Mindiola","Binary role of an ylide in formation of a terminal methylidene complex of niobium","Chem.Commun.","2014","50","","6267","","10.1039/C4CC01404A","","","0.71073","MoKα","","0.0607","0.0462","","0.1242","0.1151","0.1242","","","","","","1.0335","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113943","14.5834","0.0004","23.917","0.0006","22.1106","0.0005","90","","103.76","0.001","90","","7490.7","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C93 H88 Nb O2 P -","- C93 H88 Nb O2 P -","- C372 H352 Nb4 O8 P4 -","4","1","","Keith Searles; Karlijn Keijzer; Chun-Hsing Chen; Mu-Hyun Baik; Daniel J. Mindiola","Binary role of an ylide in formation of a terminal methylidene complex of niobium","Chem.Commun.","2014","50","","6267","","10.1039/C4CC01404A","","","0.71073","MoKα","","0.0519","0.0391","","0.1018","0.0867","0.1017","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7113944","14.8662","0.0016","39.237","0.004","15.5681","0.0016","90","","102.424","0.005","90","","8868.3","1.6","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C110 H104.5 Nb O3 P -","- C110 H104.5 Nb O3 P -","- C440 H418 Nb4 O12 P4 -","4","2","","Keith Searles; Karlijn Keijzer; Chun-Hsing Chen; Mu-Hyun Baik; Daniel J. Mindiola","Binary role of an ylide in formation of a terminal methylidene complex of niobium","Chem.Commun.","2014","50","","6267","","10.1039/C4CC01404A","","","0.71073","MoKα","","0.0551","0.0479","","0.1235","0.119","0.1235","","","","","","0.9776","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7113945","15.1935","0.0009","17.4577","0.001","20.9931","0.0012","96.128","0.003","98.445","0.003","113.251","0.003","4976.8","0.5","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C117 H109 F6 Nb O6 P S2 -","- C117 H109 F6 Nb O6 P S2 -","- C234 H218 F12 Nb2 O12 P2 S4 -","2","1","","Keith Searles; Karlijn Keijzer; Chun-Hsing Chen; Mu-Hyun Baik; Daniel J. Mindiola","Binary role of an ylide in formation of a terminal methylidene complex of niobium","Chem.Commun.","2014","50","","6267","","10.1039/C4CC01404A","","","0.71073","MoKα","","0.0512","0.037","","0.101","0.0884","0.101","","","","","","1.0138","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113946","8.1924","0.0002","12.5273","0.0003","13.0812","0.0003","89.833","0.002","81.713","0.002","79.902","0.002","1307.56","0.05","99.98","0.1","99.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H21 Cl5 F10 N4 Si2 -","- C14 H21 Cl5 F10 N4 Si2 -","- C28 H42 Cl10 F20 N8 Si4 -","2","1","","T. Bottcher; S. Steinhauer; B. Neumann; H-G. Stammler; G.-V. Roschenthaler; B. Hoge","Pentacoordinate silicon(IV): cationic, anionic and neutral complexes derived from the reaction of NHC>SiCl4 with highly Lewis acidic (C2F5)2SiH2","Chem.Commun.","2014","50","","6204","","10.1039/C4CC02583K","","","1.5418","CuKα","","0.0247","0.024","","","0.062","0.0625","","","","","","1.101","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113947","13.05642","0.00014","10.62115","0.00011","14.80917","0.00014","90","","90","","90","","2053.65","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H10.90458 Cl3.09543 N2 Si -","- C5 H10.905 Cl3.095 N2 Si -","- C40 H87.24 Cl24.76 N16 Si8 -","8","1","","T. Bottcher; S. Steinhauer; B. Neumann; H-G. Stammler; G.-V. Roschenthaler; B. Hoge","Pentacoordinate silicon(IV): cationic, anionic and neutral complexes derived from the reaction of NHC>SiCl4 with highly Lewis acidic (C2F5)2SiH2","Chem.Commun.","2014","50","","6204","","10.1039/C4CC02583K","","","0.7107","MoKα","","0.0296","0.0289","","","0.0762","0.0766","","","","","","1.184","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113948","9.9722","0.0003","12.277","0.0003","7.76332","0.00014","90","","90.02","0.002","90","","950.45","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H12 Cl2 N2 Si -","- C5 H12 Cl2 N2 Si -","- C20 H48 Cl8 N8 Si4 -","4","1","","T. Bottcher; S. Steinhauer; B. Neumann; H-G. Stammler; G.-V. Roschenthaler; B. Hoge","Pentacoordinate silicon(IV): cationic, anionic and neutral complexes derived from the reaction of NHC>SiCl4 with highly Lewis acidic (C2F5)2SiH2","Chem.Commun.","2014","50","","6204","","10.1039/C4CC02583K","","","0.7107","MoKα","","0.0528","0.0507","","","0.1306","0.1323","","","","","","1.057","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113949","8.072","0.002","12.076","0.003","12.881","0.003","69.775","0.004","84.874","0.004","79.297","0.004","1157.3","0.5","131","2","131","2","","","","","","","","3","P -1","-P 1","2","DPMN","2,7-bis(2,2'-dipyridylmethyl)-1,8-naphthyridine","","- C30 H22 N6 -","- C30 H22 N6 -","- C60 H44 N12 -","2","1","","Timothy C. Davenport; Hyun S. Ahn; Micah S. Ziegler; T. Don Tilley","A molecular structural analog of proposed dinuclear active sites in cobalt-based water oxidation catalysts","Chem.Commun.","2014","50","","6326","","10.1039/C3CC46865H","","","0.71073","MoKα","","0.0499","0.0353","","","0.082","0.0889","","","","","","1.243","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113950","8.766","0.0005","23.8721","0.0016","11.4381","0.0007","90","","96.074","0.004","90","","2380.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DPFN","2,7-bis(di-2-pyridylfluoromethyl)-1,8-naphthyridine","","- C30 H20 F2 N6 -","- C30 H20 F2 N6 -","- C120 H80 F8 N24 -","4","1","","Timothy C. Davenport; Hyun S. Ahn; Micah S. Ziegler; T. Don Tilley","A molecular structural analog of proposed dinuclear active sites in cobalt-based water oxidation catalysts","Chem.Commun.","2014","50","","6326","","10.1039/C3CC46865H","","","1.54178","CuKα","","0.0419","0.036","","","0.0934","0.0976","","","","","","1.041","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113951","26.8","0.002","10.8131","0.0008","12.7351","0.001","90","","106.837","0.001","90","","3532.3","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Co2(u-OH)2(OH2)2(DPFN)][NO3]4","","","- C30 H26 Co2 F2 N10 O16 -","- C30 H26 Co2 F2 N10 O16 -","- C120 H104 Co8 F8 N40 O64 -","4","0.5","","Timothy C. Davenport; Hyun S. Ahn; Micah S. Ziegler; T. Don Tilley","A molecular structural analog of proposed dinuclear active sites in cobalt-based water oxidation catalysts","Chem.Commun.","2014","50","","6326","","10.1039/C3CC46865H","","","0.71073","MoKα","","0.0256","0.0245","","","0.068","0.0692","","","","","","1.091","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113952","16.5997","0.0017","12.875","0.0014","18.2563","0.0019","90","","112.203","0.002","90","","3612.4","0.7","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[(Co2(OH)2(DPFN))2(k2,k2-PO4)][NO3]5","","","- C62 H61 Co4 F4 N18 O30 P -","- C62 H53 Co4 F4 N18 O30.02 P -","- C124 H106 Co8 F8 N36 O60.04 P2 -","2","0.5","","Timothy C. Davenport; Hyun S. Ahn; Micah S. Ziegler; T. Don Tilley","A molecular structural analog of proposed dinuclear active sites in cobalt-based water oxidation catalysts","Chem.Commun.","2014","50","","6326","","10.1039/C3CC46865H","","","0.71073","MoKα","","0.0907","0.0739","","","0.2159","0.2403","","","","","","1.034","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113953","13.762","0.0008","9.563","0.005","9.883","0.005","90","","101.074","0.005","90","","1276.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N4 O5 Zn -","- C10 H11 N4 O5 Zn -","- C40 H44 N16 O20 Zn4 -","4","1","","Xing Meng; Rong-Lin Zhong; Xue-Zhi Song; Shu-Yan Song; Zhao-Min Hao; Min Zhu; Shu-Na Zhao; Hong-Jie Zhang","A stable, pillar-layer metal-organic framework containing uncoordinated carboxyl groups for separation of transition metal ions","Chem.Commun.","2014","50","","6406","","10.1039/C4CC00553H","","","0.71069","MoKα","","0.0497","0.0357","","","0.0862","0.0935","","","","","","1.066","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113954","8.3977","0.0011","9.436","0.0012","20.338","0.003","89.99","0.003","79.663","0.003","88.438","0.003","1584.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Co N4 O11 -","- C34 H28 Co N4 O11 -","- C68 H56 Co2 N8 O22 -","2","1","","Xiaozhou Ma; Zhenjie Zhang; Wei Shi; Leilei Li; Jiyong Zou; Peng Cheng","An unusual water-bridged homospin CoII single-chain magnet","Chem.Commun.","2014","50","","6340","","10.1039/C4CC01909A","","","0.71075","MoKα","","0.0888","0.0696","","","0.1615","0.173","","","","","","1.069","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113955","7.2689","0.0009","11.4438","0.0014","17.56","0.002","90","","96.396","0.002","90","","1451.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O S2 -","- C14 H18 O S2 -","- C56 H72 O4 S8 -","4","1","","Qin Yang; Ping Wu; Jiping Chen; Zhengkun Yu","Iron-catalyzed alkylation of alpha-oxo ketene dithioacetals","Chem.Commun.","2014","50","","6337","","10.1039/C4CC02264E","","","0.71073","MoKα","","0.0528","0.0459","","","0.1139","0.1194","","","","","","1.066","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113956","23.0027","0.0014","40.888","0.002","50.529","0.003","90","","100.989","0.003","90","","46653","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C347 H309 Cd4.5 Cl17 N83 O96 Ru4 -","- C347 H297 Cd4.5 Cl14.5 N83 O86 Ru4 -","- C1388 H1188 Cd18 Cl58 N332 O344 Ru16 -","4","1","","Alexander J. Metherell; Michael D. Ward","Stepwise synthesis of a Ru4Cd4 coordination cage using inert and labile subcomponents: introduction of redox activity at specific sites","Chem.Commun.","2014","50","","6330","","10.1039/C4CC02627F","","","0.71073","MoKα","","0.2063","0.1301","","","0.3371","0.3777","","","","","","1.068","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113957","12.384","0.0011","9.8375","0.0008","23.186","0.0015","90","","94.29","0.007","90","","2816.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Cl N O4 S2 -","- C27 H22 Cl N O4 S2 -","- C108 H88 Cl4 N4 O16 S8 -","4","1","","Lei Li; Yu-Long Zhao; He Wang; Yi-Jin Li; Xianxiu Xu; Qun Liu","Base-catalyzed bicyclization of dialkyl glutaconates with cinnamoylacetamides: a synthetic strategy for isoquinolinedione derivatives","Chem.Commun.","2014","50","","6458","","10.1039/C3CC46931J","","","0.71073","MoKα","","0.1059","0.0775","","","0.2511","0.2812","","","","","","1.02","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113958","9.1427","0.0007","24.503","0.002","24.588","0.002","90","","91.089","0.001","90","","5507.3","0.8","293","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H136 Gd4 N24 O40 -","- C86 H136 Gd4 N24 O40 -","- C172 H272 Gd8 N48 O80 -","2","1","","Xiaoqiang Liang; Feng Zhang; Haixia Zhao; Wei Ye; Lasheng Long; Guangshan Zhu","A proton-conducting lanthanide metal-organic framework integrated with a dielectric anomaly and second-rder nonlinear optical effect","Chem.Commun.","2014","50","","6513","","10.1039/C4CC00458B","","","0.71073","MoKα","","0.0832","0.072","","","0.1989","0.2067","","","","","","1.014","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113959","7.724","0.005","10.193","0.004","12.477","0.004","79.98","0.03","89.35","0.04","89.15","0.04","967.2","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O7 -","- C21 H21 N O7 -","- C42 H42 N2 O14 -","2","1","","Sufang Ma; De-Cai Fang; Baoming Ning; Minfeng Li; Lan He; Bing Gong","The rational design of a highly sensitive and selective fluorogenic probe for detecting nitric oxide","Chem.Commun.","2014","50","","6475","","10.1039/C4CC01142B","","","1.54178","CuKα","","0.0771","0.0682","","","0.1858","0.2113","","","","","","1.058","","","","has coordinates","287905","2023-11-30","18:01:52",""
"7113960","7.747","0.005","26.405","0.011","9.973","0.004","90","","109.683","0.012","90","","1920.9","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O7 -","- C21 H19 N O7 -","- C84 H76 N4 O28 -","4","1","","Sufang Ma; De-Cai Fang; Baoming Ning; Minfeng Li; Lan He; Bing Gong","The rational design of a highly sensitive and selective fluorogenic probe for detecting nitric oxide","Chem.Commun.","2014","50","","6475","","10.1039/C4CC01142B","","","1.54178","CuKα","","0.0752","0.0593","","","0.1608","0.1768","","","","","","1.06","","","","has coordinates","287905","2023-11-30","18:01:52",""
"7113961","9.173","0.004","13.175","0.005","23.399","0.009","90","","90","","90","","2828","2","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 Cl3 Co N5 O6 -","- C23 H30 Cl3 Co N5 O6 -","- C92 H120 Cl12 Co4 N20 O24 -","4","1","","Jingfan Xie; Qianxiong Zhou; Chao Li; Weibo Wang; Yuanjun Hou; Baowen Zhang; Xuesong Wang","An unexpected role of the monodentate ligand in photocatalytic hydrogen production of the pentadentate ligand-based cobalt complexes","Chem.Commun.","2014","50","","6520","","10.1039/C4CC01471E","","","0.71073","MoKα","","0.0879","0.0693","","","0.1748","0.1907","","","","","","1.002","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113962","12.0363","0.0011","13.4312","0.0013","15.4313","0.0014","76.157","0.003","75.969","0.003","71.057","0.003","2253.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.8 H38.2 F6 Ir N8 O7 S2 -","- C41.8 H38.2 F6 Ir N8 O7 S2 -","- C83.6 H76.4 F12 Ir2 N16 O14 S4 -","2","1","","Suraj Soman; Jennifer C. Manton; Jane L. Inglis; Yvonne Halpin; Brendan Twamley; Edwin Otten; Wesley R. Browne; Luisa De Cola; Johannes G. Vos; Mary T. Pryce","New synthetic pathways to the preparation of near-blue emitting heteroleptic Ir(III)N6 coordinated compounds with microsecond lifetimes","Chem.Commun.","2014","50","","6461","","10.1039/C4CC02249A","","x-ray","0.71073","MoKα","","0.0556","0.047","","","0.1188","0.1262","","","","","","1.059","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7113963","10.2799","0.0017","12.1045","0.0014","12.4903","0.0021","75.549","0.002","76.872","0.002","88.226","0.002","1465.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","1","0.5","","Prem Lama; Raj Kumar Das; Vincent J. Smith; Leonard J. Barbour","A combined stretching-tilting mechanism produces negative, zero and positive linear thermal expansion in a semi-flexible Cd(II)-MOF","Chem.Commun.","2014","50","","6464","","10.1039/C4CC02634A","","","0.71073","MoKα","","0.0291","0.0269","","","0.0692","0.0707","","","","","","1.04","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113964","10.2807","0.0014","12.1039","0.0016","12.5241","0.0016","75.46","0.002","76.81","0.002","88.243","0.002","1468.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","1","","","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","1","0.5","","Prem Lama; Raj Kumar Das; Vincent J. Smith; Leonard J. Barbour","A combined stretching-tilting mechanism produces negative, zero and positive linear thermal expansion in a semi-flexible Cd(II)-MOF","Chem.Commun.","2014","50","","6464","","10.1039/C4CC02634A","","","0.71073","MoKα","","0.0287","0.0264","","","0.065","0.0664","","","","","","1.053","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113965","10.2788","0.0014","12.0994","0.0016","12.5513","0.0017","75.381","0.002","76.749","0.002","88.243","0.002","1469.6","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","1","","","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","1","0.5","","Prem Lama; Raj Kumar Das; Vincent J. Smith; Leonard J. Barbour","A combined stretching-tilting mechanism produces negative, zero and positive linear thermal expansion in a semi-flexible Cd(II)-MOF","Chem.Commun.","2014","50","","6464","","10.1039/C4CC02634A","","","0.71073","MoKα","","0.0284","0.0261","","","0.0643","0.0657","","","","","","1.065","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113966","10.2786","0.001","12.0962","0.0012","12.5872","0.0013","75.267","0.001","76.684","0.001","88.232","0.001","1472.2","0.3","160","2","160","2","","","","","","","","5","P -1","-P 1","2","1","","","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","1","0.5","","Prem Lama; Raj Kumar Das; Vincent J. Smith; Leonard J. Barbour","A combined stretching-tilting mechanism produces negative, zero and positive linear thermal expansion in a semi-flexible Cd(II)-MOF","Chem.Commun.","2014","50","","6464","","10.1039/C4CC02634A","","","0.71073","MoKα","","0.0295","0.0272","","","0.071","0.0727","","","","","","1.006","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113967","10.2817","0.001","12.0978","0.0012","12.6236","0.0013","75.159","0.001","76.657","0.001","88.223","0.002","1476.2","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","1","","","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","1","0.5","","Prem Lama; Raj Kumar Das; Vincent J. Smith; Leonard J. Barbour","A combined stretching-tilting mechanism produces negative, zero and positive linear thermal expansion in a semi-flexible Cd(II)-MOF","Chem.Commun.","2014","50","","6464","","10.1039/C4CC02634A","","","0.71073","MoKα","","0.0296","0.0271","","","0.0658","0.0673","","","","","","1.045","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113968","10.2804","0.0009","12.0976","0.0011","12.6532","0.0011","75.021","0.001","76.614","0.001","88.221","0.001","1478.2","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","1","","","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","1","0.5","","Prem Lama; Raj Kumar Das; Vincent J. Smith; Leonard J. Barbour","A combined stretching-tilting mechanism produces negative, zero and positive linear thermal expansion in a semi-flexible Cd(II)-MOF","Chem.Commun.","2014","50","","6464","","10.1039/C4CC02634A","","","0.71073","MoKα","","0.0297","0.027","","","0.0702","0.0722","","","","","","1.007","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113969","10.2816","0.0009","12.0994","0.001","12.6836","0.0011","74.861","0.001","76.591","0.001","88.222","0.001","1480.8","0.2","220","2","220","2","","","","","","","","5","P -1","-P 1","2","1","","","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","1","0.5","","Prem Lama; Raj Kumar Das; Vincent J. Smith; Leonard J. Barbour","A combined stretching-tilting mechanism produces negative, zero and positive linear thermal expansion in a semi-flexible Cd(II)-MOF","Chem.Commun.","2014","50","","6464","","10.1039/C4CC02634A","","","0.71073","MoKα","","0.03","0.027","","","0.066","0.0679","","","","","","1.043","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113970","10.2837","0.001","12.1048","0.0012","12.7112","0.0013","74.721","0.001","76.586","0.002","88.227","0.002","1484","0.3","240","2","240","2","","","","","","","","5","P -1","-P 1","2","1","","","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","1","0.5","","Prem Lama; Raj Kumar Das; Vincent J. Smith; Leonard J. Barbour","A combined stretching-tilting mechanism produces negative, zero and positive linear thermal expansion in a semi-flexible Cd(II)-MOF","Chem.Commun.","2014","50","","6464","","10.1039/C4CC02634A","","","0.71073","MoKα","","0.0311","0.0279","","","0.0681","0.0699","","","","","","1.067","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113971","10.2835","0.0013","12.1107","0.0015","12.7326","0.0016","74.59","0.002","76.545","0.002","88.255","0.002","1485.9","0.3","260","2","260","2","","","","","","","","5","P -1","-P 1","2","1","","","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","1","0.5","","Prem Lama; Raj Kumar Das; Vincent J. Smith; Leonard J. Barbour","A combined stretching-tilting mechanism produces negative, zero and positive linear thermal expansion in a semi-flexible Cd(II)-MOF","Chem.Commun.","2014","50","","6464","","10.1039/C4CC02634A","","","0.71073","MoKα","","0.0342","0.03","","","0.0725","0.0752","","","","","","1.037","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113972","10.2731","0.0006","12.1111","0.0007","12.4854","0.0007","75.519","0.001","76.822","0.001","88.265","0.001","1463.87","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","- C53 H58 Cd2 N7 O19 -","1","0.5","","Prem Lama; Raj Kumar Das; Vincent J. Smith; Leonard J. Barbour","A combined stretching-tilting mechanism produces negative, zero and positive linear thermal expansion in a semi-flexible Cd(II)-MOF","Chem.Commun.","2014","50","","6464","","10.1039/C4CC02634A","","","0.71073","MoKα","","0.0219","0.0207","","","0.0522","0.053","","","","","","1.07","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113973","9.7666","0.001","11.374","0.0012","51.657","0.006","90","","91.769","0.002","90","","5735.6","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl2 N2 O3 -","- C30 H34 Cl2 N2 O3 -","- C240 H272 Cl16 N16 O24 -","8","2","","Li Xu; Zece Zhu; Xiang Zhou; Jingui Qin; Chuluo Yang","A highly sensitive nucleic acid stain based on amino-modified tetraphenylethene: the influence of configuration","Chem.Commun.","2014","50","","6494","","10.1039/C4CC02671C","","","0.71073","MoKα","","0.0714","0.0597","","","0.1514","0.1607","","","","","","1.174","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113974","9.8603","0.0013","10.5873","0.0014","14.4723","0.0019","72.748","0.002","86.325","0.002","84.298","0.002","1434.8","0.3","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 Si -","- C17 H18 Si -","- C68 H72 Si4 -","4","2","","Hidekazu Arii; Takashi Kurihara; Kunio Mochida; Takayuki Kawashima","Silylium ion-promoted dehydrogenative cyclization: synthesis of silicon-containing compounds derived from alkynes","Chem.Commun.","2014","50","","6649","","10.1039/C4CC01648C","","","0.71073","MoKα","","0.0654","0.0449","","","0.0789","0.0863","","","","","","1.031","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7113975","9.7459","0.001","10.4452","0.0011","18.2147","0.0019","90","","99.69","0.001","90","","1827.8","0.3","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Si -","- C23 H22 Si -","- C92 H88 Si4 -","4","1","","Hidekazu Arii; Takashi Kurihara; Kunio Mochida; Takayuki Kawashima","Silylium ion-promoted dehydrogenative cyclization: synthesis of silicon-containing compounds derived from alkynes","Chem.Commun.","2014","50","","6649","","10.1039/C4CC01648C","","","0.71073","MoKα","","0.0414","0.0349","","","0.0729","0.0764","","","","","","1.036","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113976","29.392","0.002","18.9158","0.0013","18.9647","0.0012","90","","121.23","0.0017","90","","9016","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H34 Cl Mn2.5 N3 O7.25 S3 -","- C42.5 H34 Cl Mn2.5 N3 O7.25 S3 -","- C340 H272 Cl8 Mn20 N24 O58 S24 -","8","1","","Kaipeng Hou; Hwa Tiong Poh; Wai Yip Fan","Electrocatalytic hydrogen generation by a trithiolato-bridged dimanganese hexacarbonyl anion with a turnover frequency exceeding 40 000 s^-1^","Chem.Commun.","2014","50","","6630","","10.1039/C4CC02016B","","","0.71073","MoKα","","0.127","0.0684","","","0.1679","0.1908","","","","","","1.056","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7113977","7.388","0.0017","15.153","0.004","15.551","0.003","91.805","0.014","95.361","0.014","90.38","0.015","1732.4","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H33 Cd N3 O7 S -","- C38 H33 Cd N3 O7 S -","- C76 H66 Cd2 N6 O14 S2 -","2","1","","In-Hyeok Park; Raghavender Medishetty; Shim Sung Lee; Jagadese J. Vittal","Solid-state polymerization in a polyrotaxane coordination polymer via a [2+2] cycloaddition reaction","Chem.Commun.","2014","50","","6585","","10.1039/C4CC02080D","","","0.71073","MoKα","","0.1411","0.0866","","","0.225","0.2606","","","","","","1.005","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113978","7.4493","0.0018","15.362","0.004","15.558","0.004","85.95","0.019","87.333","0.018","82.947","0.018","1761.2","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H24 Cd N2 O6 S -","- C34 H24 Cd N2 O6 S -","- C68 H48 Cd2 N4 O12 S2 -","2","1","","In-Hyeok Park; Raghavender Medishetty; Shim Sung Lee; Jagadese J. Vittal","Solid-state polymerization in a polyrotaxane coordination polymer via a [2+2] cycloaddition reaction","Chem.Commun.","2014","50","","6585","","10.1039/C4CC02080D","","","0.71073","MoKα","","0.1858","0.085","","","0.1741","0.2023","","","","","","0.922","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7113979","24.1033","0.0009","13.6845","0.0005","26.7566","0.0009","90","","94.879","0.001","90","","8793.5","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C384 H384 N32 O48 S16 -","16","4","","Dong Jin Lee; Jinhwan Shin; Eun Jeong Yoo","A Rh-catalyzed regio- and stereoselective route to enamides: benzamides as assembling reagents","Chem.Commun.","2014","50","","6620","","10.1039/C4CC02155J","","","0.71073","MoKα","","0.1605","0.0578","","","0.1149","0.1588","","","","","","0.867","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113980","8.0981","0.0004","8.818","0.0007","10.4495","0.0007","103.797","0.006","101.344","0.005","91.264","0.005","708.64","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C13 H17 Cl N2 O2 -","- C13 H17 Cl N2 O2 -","- C26 H34 Cl2 N4 O4 -","2","2","","Jun Li; Yuting Liao; Yulong Zhang; Xiaohua Liu; Lili Lin; Xiaoming Feng","Chiral magnesium(II)-catalyzed asymmetric ring-opening of meso-aziridines with primary alcohols","Chem.Commun.","2014","50","","6672","","10.1039/C4CC02206H","","","0.71073","MoKα","","0.1201","0.0623","","","0.1524","0.194","","","","","","1.022","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113981","7.94","0.002","9.659","0.002","10.774","0.002","86.5","0.03","79.25","0.03","76.36","0.03","788.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H9 F6 O9 Yb -","- C8 H9 F6 O9 Yb -","- C16 H18 F12 O18 Yb2 -","2","1","","L. Schmidt; A. Dimitrov; E. Kemnitz","A new approach to prepare nanoscopic rare earth metal fluorides: the fluorolytic sol-gel synthesis of ytterbium fluoride","Chem.Commun.","2014","50","","6613","","10.1039/C4CC02626H","","","0.71073","MoKα","","0.0303","0.0296","","","0.0806","0.081","","","","","","1.156","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113982","6.696","0.005","18.484","0.005","7.461","0.005","90","0.005","90","0.005","90","0.005","923.4","1","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C8 H14 O6 -","- C8 H14 O6 -","- C32 H56 O24 -","4","1","","Raja Mohanrao; Aromal Asokan; Kana M. Sureshan","Bio-inspired synthesis of rare and unnatural carbohydrates and cyclitols through strain driven epimerization","Chem.Commun.","2014","50","","6707","","10.1039/C4CC00868E","","","0.71073","MoKα","","0.0231","0.0226","","","0.0617","0.062","","","","","","1.091","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113983","17.615","0.005","10.145","0.005","20.328","0.005","90","0.005","90","0.005","90","0.005","3633","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H22 O7 -","- C19 H22 O7 -","- C152 H176 O56 -","8","1","","Raja Mohanrao; Aromal Asokan; Kana M. Sureshan","Bio-inspired synthesis of rare and unnatural carbohydrates and cyclitols through strain driven epimerization","Chem.Commun.","2014","50","","6707","","10.1039/C4CC00868E","","","0.71073","MoKα","","0.0796","0.052","","","0.1286","0.1514","","","","","","1.013","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113984","19.5709","0.0006","11.6089","0.0003","17.9337","0.0005","90","","109.147","0.001","90","","3849.08","0.19","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O7 -","- C19 H24 O7 -","- C152 H192 O56 -","8","2","","Raja Mohanrao; Aromal Asokan; Kana M. Sureshan","Bio-inspired synthesis of rare and unnatural carbohydrates and cyclitols through strain driven epimerization","Chem.Commun.","2014","50","","6707","","10.1039/C4CC00868E","","","0.71073","MoKα","","0.1081","0.0689","","","0.1962","0.2408","","","","","","1.046","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113985","10.2227","0.0004","13.8627","0.0005","15.3841","0.0006","80.544","0.002","79.936","0.002","85.211","0.002","2114.06","0.14","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H26 O8 -","- C21 H26 O8 -","- C84 H104 O32 -","4","2","","Raja Mohanrao; Aromal Asokan; Kana M. Sureshan","Bio-inspired synthesis of rare and unnatural carbohydrates and cyclitols through strain driven epimerization","Chem.Commun.","2014","50","","6707","","10.1039/C4CC00868E","","","0.71073","MoKα","","0.1032","0.0678","","","0.1946","0.2319","","","","","","1.018","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113986","34.7719","0.0012","6.3173","0.0002","16.9757","0.0006","90","","97.678","0.002","90","","3695.5","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 O7 -","- C19 H24 O7 -","- C152 H192 O56 -","8","1","","Raja Mohanrao; Aromal Asokan; Kana M. Sureshan","Bio-inspired synthesis of rare and unnatural carbohydrates and cyclitols through strain driven epimerization","Chem.Commun.","2014","50","","6707","","10.1039/C4CC00868E","","","0.71073","MoKα","","0.0669","0.0427","","","0.1027","0.1226","","","","","","1.071","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113987","11.573","0.002","11.787","0.002","15.259","0.003","92.885","0.011","91.264","0.011","115.721","0.01","1870.6","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O7 -","- C19 H22 O7 -","- C76 H88 O28 -","4","2","","Raja Mohanrao; Aromal Asokan; Kana M. Sureshan","Bio-inspired synthesis of rare and unnatural carbohydrates and cyclitols through strain driven epimerization","Chem.Commun.","2014","50","","6707","","10.1039/C4CC00868E","","","0.71073","MoKα","","0.1842","0.0743","","","0.1734","0.2218","","","","","","0.914","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7113988","9.0182","0.0009","26.03","0.003","15.8147","0.0015","90","","95.306","0.004","90","","3696.5","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O7 -","- C19 H24 O7 -","- C152 H192 O56 -","8","2","","Raja Mohanrao; Aromal Asokan; Kana M. Sureshan","Bio-inspired synthesis of rare and unnatural carbohydrates and cyclitols through strain driven epimerization","Chem.Commun.","2014","50","","6707","","10.1039/C4CC00868E","","","0.71073","MoKα","","0.1356","0.0759","","","0.1728","0.207","","","","","","1.021","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113989","16.5227","0.0002","6.2178","0.00008","5.24317","0.00006","90","","90.9998","0.002","90","","538.574","0.011","273","","273","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- H7 N2 O4 P Zn -","- H7 N2 O4 P Zn -","- H28 N8 O16 P4 Zn4 -","4","1","","Zakariae Amghouz; Beatriz Ramajo; Sergei A. Khainakov; Ivan da Silva; German R. Castro; Jose R. Garcia; Santiago Garcia-Granda","Dimensionality changes in the solid phase at room temperature: 2D > 1D > 3D evolution induced by ammonia sorption-desorption on zinc phosphates","Chem.Commun.","2014","50","","6729","","10.1039/C4CC01314J","powder diffraction","","0.824","Synchrotron","","","","","","","","","3.4842","","","","","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113990","26.7517","0.0003","26.7517","0.0003","26.7517","0.0003","90","","90","","90","","19144.9","0.4","147","2","147","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C63 H43.5 N4.5 O12 Zn3 -","- C63 H43.53 N4.5 O12 Zn3 -","- C504 H348.24 N36 O96 Zn24 -","8","0.166667","","Nakeun Ko; Kyungkyou Noh; Siyoung Sung; Hye Jeong Park; Sang Youn Park; Jaheon Kim","Connection of zinc paddle-wheels in a pto-type metal-organic framework with 2-methylimidazolate and subsequent incorporation of charged organic guests","Chem.Commun.","2014","50","","6785","","10.1039/C4CC01501K","","","0.71073","MoKα","","0.0927","0.0536","","","0.1515","0.16","","","","","","0.914","","","","has coordinates","192777","2020-10-21","18:00:00",""
"7113991","12.313","0.004","16.396","0.004","16.702","0.005","90","","103.661","0.006","90","","3276.5","1.7","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H41 P Ru Si -","- C39 H41 P Ru Si -","- C156 H164 P4 Ru4 Si4 -","4","1","","Jose A. Fernandez-Salas; Simone Manzini; Lorenzo Piola; Alexandra M. Z. Slawin; Steven P. Nolan","Ruthenium catalysed C-H bond borylation","Chem.Commun.","2014","50","","6782","","10.1039/C4CC02096K","","","0.71075","MoKα","","","0.0476","","","","0.1377","","","","","","0.982","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113992","21.48","0.0019","15.0402","0.0013","15.687","0.0014","90","","95.205","0.002","90","","5047","0.8","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C21 H23 Br F N4 O7 P -","- C21 H23 Br F N4 O7 P -","- C168 H184 Br8 F8 N32 O56 P8 -","8","2","","Ying Huang; Qing-Song Zhang; Ping Fang; Tie-Gen Chen; Jun Zhu; Xue-Long Hou","Pd-catalyzed highly regio-, diastereo-, and enantioselective allylic alkylation of alpha-fluorophosphonates","Chem.Commun.","2014","50","","6751","","10.1039/C4CC02158D","","","0.71073","MoKα","","0.0795","0.0485","","","0.1303","0.1449","","","","","","0.982","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113993","12.1035","0.0004","14.2703","0.0006","13.6727","0.0006","90","","97.263","0.002","90","","2342.61","0.16","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C120 H88 N8 O16 -","8","2","","Siva Senthil Kumar Boominathan; Wan-Ping Hu; Gopal Chandru Senadi; Jaya Kishore Vandavasi; Jeh-Jeng Wang","A one-pot hypoiodite catalysed oxidative cycloetherification approach to benzoxazoles","Chem.Commun.","2014","50","","6726","","10.1039/C4CC02425G","","x-ray","0.71073","MoKα","","0.1009","0.064","","","0.1733","0.2084","","","","","","1.018","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7114562","12.2021","0.0006","11.427","0.0006","10.8496","0.0006","90","","99.451","0.002","90","","1492.26","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","1","","Shanmugam Easwaramoorthi; Pichandi Thamaraiselvi; Kumaraguru Duraimurugan; Arockiam Jesin Beneto; Ayyanar Siva; Balachandran Unni Nair","Charge instability of symmetry broken dipolar states in quadrupolar and octupolar triphenylamine derivatives","Chem.Commun.","2014","50","","6902","","10.1039/C3CC47514J","","","0.71073","MoKα","","0.0509","0.0376","","","0.0941","0.1058","","","","","","1.035","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114563","8.165","0.0004","11.636","0.0005","17.565","0.0008","90","","90","","90","","1668.81","0.13","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C21 H12 N4 -","- C21 H12 N4 -","- C84 H48 N16 -","4","0.5","","Shanmugam Easwaramoorthi; Pichandi Thamaraiselvi; Kumaraguru Duraimurugan; Arockiam Jesin Beneto; Ayyanar Siva; Balachandran Unni Nair","Charge instability of symmetry broken dipolar states in quadrupolar and octupolar triphenylamine derivatives","Chem.Commun.","2014","50","","6902","","10.1039/C3CC47514J","","","0.71073","MoKα","","0.0446","0.0344","","","0.0842","0.0924","","","","","","1.048","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114564","6.215","0.002","20.656","0.008","25.022","0.01","90","","90","","90","","3212","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 N2 O5 Zn -","- C23 H18 N2 O5 Zn -","- C92 H72 N8 O20 Zn4 -","4","1","","Xiaoxia Lv; Liangjun Li; Sifu Tang; Chao Wang; Xuebo Zhao","High CO2/N2 and CO2/CH4 selectivity in a chiral metal-organic framework with contracted pores and multiple functionalities","Chem.Commun.","2014","50","","6886","","10.1039/C4CC00334A","","","0.71073","MoKα","","0.1393","0.0794","","","0.1804","0.2052","","","","","","1.081","","","","has coordinates,has disorder","180259","2020-10-21","18:00:00",""
"7114565","22.985","0.006","8.962","0.002","15.656","0.004","90","","107.227","0.003","90","","3080.3","1.3","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Ge2 P2 Pt -","- C30 H40 Ge2 P2 Pt -","- C120 H160 Ge8 P8 Pt4 -","4","0.5","","Tanabe, Makoto; Tanaka, Kimiya; Omine, Shumpei; Osakada, Kohtaro","A triangular triplatinum(0) complex with bridging germylene ligands: insertion of alkynes into the Pt‒Ge bond rather than the Pt‒Pt bond","Chemical Communications (Cambridge, United Kingdom)","2014","50","52","6839","6842","10.1039/c4cc00727a","","","0.7107","MoKα","","0.0507","0.0475","","","0.1223","0.1242","","","","","","1.081","","","","has coordinates","210864","2020-10-21","18:00:00",""
"7114566","12.539","0.002","13.863","0.002","15.866","0.003","66.82","0.008","79.268","0.01","66.814","0.009","2328.9","0.7","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H57 Ge3 P3 Pt3 -","- C45 H57 Ge3 P3 Pt3 -","- C90 H114 Ge6 P6 Pt6 -","2","1","","Tanabe, Makoto; Tanaka, Kimiya; Omine, Shumpei; Osakada, Kohtaro","A triangular triplatinum(0) complex with bridging germylene ligands: insertion of alkynes into the Pt‒Ge bond rather than the Pt‒Pt bond","Chemical Communications (Cambridge, United Kingdom)","2014","50","52","6839","6842","10.1039/c4cc00727a","","","0.7107","MoKα","","","0.031","","","","0.0925","","","","","","1.026","","","","has coordinates","210864","2020-10-21","18:00:00",""
"7114567","12.053","0.003","23.593","0.006","20.308","0.005","90","","91.905","0.004","90","","5772","2","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H70 Ge3 O4 P3 Pt3 -","- C54 H70 Ge3 O4 P3 Pt3 -","- C216 H280 Ge12 O16 P12 Pt12 -","4","2","","Tanabe, Makoto; Tanaka, Kimiya; Omine, Shumpei; Osakada, Kohtaro","A triangular triplatinum(0) complex with bridging germylene ligands: insertion of alkynes into the Pt‒Ge bond rather than the Pt‒Pt bond","Chemical Communications (Cambridge, United Kingdom)","2014","50","52","6839","6842","10.1039/c4cc00727a","","","0.71073","MoKα","","0.0977","0.0655","","","0.1313","0.1404","","","","","","1.336","","","","has coordinates","210864","2020-10-21","18:00:00",""
"7114568","21.046","0.006","12.804","0.004","20.027","0.005","90","","93.534","0.003","90","","5386","3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H65 Ge3 O4 P3 Pt3 -","- C53 H65 Ge3 O4 P3 Pt3 -","- C212 H260 Ge12 O16 P12 Pt12 -","4","1","","Tanabe, Makoto; Tanaka, Kimiya; Omine, Shumpei; Osakada, Kohtaro","A triangular triplatinum(0) complex with bridging germylene ligands: insertion of alkynes into the Pt‒Ge bond rather than the Pt‒Pt bond","Chemical Communications (Cambridge, United Kingdom)","2014","50","52","6839","6842","10.1039/c4cc00727a","","","0.71073","MoKα","","0.106","0.0921","","","0.2482","0.2617","","","","","","0.981","","","","has coordinates","210864","2020-10-21","18:00:00",""
"7114569","20.851","0.004","18.486","0.003","17.083","0.003","90","","109.222","0.002","90","","6217.6","1.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 Cl4 F4 Ir2 N6 O2 -","- C64 H60 Cl4 F4 Ir2 N6 O2 -","- C256 H240 Cl16 F16 Ir8 N24 O8 -","4","1","","Pierre-Henri Lanoe; Chi Ming Tong; Ross W. Harrington; Michael R. Probert; William Clegg; J. A. Gareth Williams; Valery N. Kozhevnikov","Ditopic bis-terdentate cyclometallating ligands and their highly luminescent dinuclear iridium(III) complexes","Chem.Commun.","2014","50","","6831","","10.1039/C4CC01808G","","","0.6889","synchrotron","","0.0574","0.045","","","0.1216","0.1288","","","","","","1.055","","","","has coordinates,has disorder","180259","2020-10-21","18:00:00",""
"7114570","13.257","0.0018","13.4173","0.0018","18.794","0.003","109.356","0.0014","95.0503","0.0014","110.67","0.0015","2870.3","0.7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H63 Cl2 F4 Ir2 N6 O2 -","- C65 H63 Cl2 F4 Ir2 N6 O2 -","- C130 H126 Cl4 F8 Ir4 N12 O4 -","2","1","","Pierre-Henri Lanoe; Chi Ming Tong; Ross W. Harrington; Michael R. Probert; William Clegg; J. A. Gareth Williams; Valery N. Kozhevnikov","Ditopic bis-terdentate cyclometallating ligands and their highly luminescent dinuclear iridium(III) complexes","Chem.Commun.","2014","50","","6831","","10.1039/C4CC01808G","","","0.6889","synchrotron","","0.0919","0.0678","","","0.1698","0.1848","","","","","","0.845","","","","has coordinates,has disorder","180259","2020-10-21","18:00:00",""
"7114571","8.5311","0.0003","19.2561","0.0008","13.411","0.0005","90","","93.333","0.002","90","","2199.38","0.15","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N3 O5 -","- C24 H23 N3 O5 -","- C96 H92 N12 O20 -","4","2","","Pankaj Chauhan; Gregor Urbanietz; Gerhard Raabe; Dieter Enders","Asymmetric synthesis of functionalized cyclohexanes bearing five stereocenters via a one-pot organocatalytic Michael-Michael-1,2-addition sequence","Chem.Commun.","2014","50","","6853","","10.1039/C4CC01885K","","","1.54178","CuKα","","0.027","0.027","","0.029","","0.029","","","1.024","","","1.025","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7114572","11.9319","0.0004","13.445","0.0004","16.1494","0.0006","90","","90","","90","","2590.76","0.15","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 F6 N2 O P -","- C26 H33 F6 N2 O P -","- C104 H132 F24 N8 O4 P4 -","4","1","","Eiji Tayama; Noriko Naganuma; Hajime Iwamoto; Eietsu Hasegawa","Double axial chirality promoted asymmetric [2,3] Stevens rearrangement of N-cinnamyl L-alanine amide-derived ammonium ylides","Chem.Commun.","2014","50","","6860","","10.1039/C4CC02536A","","","0.71075","MoKα","","","0.067","","","","0.2425","","","","","","1.031","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114573","11.0902","0.0003","11.28","0.0003","12.216","0.0003","92.9461","0.0012","100.863","0.0011","117.888","0.0012","1309.25","0.06","143","","143","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 N2 O3 -","- C32 H36 N2 O3 -","- C64 H72 N4 O6 -","2","1","","Eiji Tayama; Noriko Naganuma; Hajime Iwamoto; Eietsu Hasegawa","Double axial chirality promoted asymmetric [2,3] Stevens rearrangement of N-cinnamyl L-alanine amide-derived ammonium ylides","Chem.Commun.","2014","50","","6860","","10.1039/C4CC02536A","","","0.71075","MoKα","","","0.1041","","","","0.384","","","","","","0.864","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114574","8.412","0.004","23.757","0.01","7.831","0.004","90","","113.799","0.005","90","","1431.9","1.2","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 N6 -","- C36 H32 N6 -","- C72 H64 N12 -","2","0.5","","Ashish K. Asatkar; Satyaprasad P. Senanayak; Anjan Bedi; Snigdha Panda; K. S. Narayan; Sanjio S. Zade","Zn(II) and Cu(II) complexes of a new thiophene-based salphen-type ligand: solution-processable high-performance field-effect transistor materials","Chem.Commun.","2014","50","","7036","","10.1039/C4CC01360C","","","0.7107","MoKα","","0.0775","0.0728","","","0.1483","0.152","","","","","","1.173","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114575","21.422","0.004","7.3343","0.0013","18.884","0.004","90","","109.604","0.008","90","","2795","0.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","LaCu","","","- C16 H10 Cu N2 O2 S2 -","- C16 H10 Cu N2 O2 S2 -","- C128 H80 Cu8 N16 O16 S16 -","8","1","","Ashish K. Asatkar; Satyaprasad P. Senanayak; Anjan Bedi; Snigdha Panda; K. S. Narayan; Sanjio S. Zade","Zn(II) and Cu(II) complexes of a new thiophene-based salphen-type ligand: solution-processable high-performance field-effect transistor materials","Chem.Commun.","2014","50","","7036","","10.1039/C4CC01360C","","","0.71073","MoKα","","0.0413","0.029","","","0.0541","0.0561","","","","","","1.735","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114576","33.4761","0.0007","16.0612","0.0003","7.1921","0.0002","90","","90","","90","","3866.95","0.15","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","codeine hydrogen dihydrogen phosphate hemihydrate","(5α,6α)-6-hydroxy-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinanium dihydrogen phosphate sesquihydrate","","- C18 H27 N O8.5 P -","- C18 H24 N O8.5 P -","- C144 H192 N8 O68 P8 -","8","2","","Tomce Runcevski; Gjorgji Petrusevski; Petre Makreski; Sonja Ugarkovic; Robert E. Dinnebier","On the hydrates of codeine phosphate: the remarkable influence of hydrogen bonding on the crystal size","Chem.Commun.","2014","50","","6970","","10.1039/C4CC01430h","powder diffraction","","1.5406","CuKα1","","3.524","","","","","","","","2.251","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114577","16.075","0.005","22.454","0.006","16.949","0.005","90","","90","","90","","6118","3","296","2","296","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C62 H46 F12 Ir2 N8 P2 -","- C62 H42 F12 Ir2 N8 P2 -","- C248 H168 F48 Ir8 N32 P8 -","4","","","Guangfu Li; Yong Wu; Guogang Shan; Weilong Che; Dongxia Zhu; Baiqiao Song; Likai Yan; Zhongmin Su; Martin R. Bryce","New ionic dinuclear Ir(III) Schiff base complexes with aggregation-induced phosphorescent emission (AIPE)","Chem.Commun.","2014","50","","6977","","10.1039/C4CC01799D","","","0.71073","MoKα","","0.0832","0.0583","","","0.1607","0.1772","","","","","","1.052","","","","has coordinates,has disorder","180259","2020-10-21","18:00:00",""
"7114578","8.8497","0.0018","29.644","0.006","13.885","0.003","90","","91.47","0.03","90","","3641.4","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H50 F12 Ir2 N8 P2 -","- C68 H50 Ir2 N8 -","- C136 H100 Ir4 N16 -","2","0.5","","Guangfu Li; Yong Wu; Guogang Shan; Weilong Che; Dongxia Zhu; Baiqiao Song; Likai Yan; Zhongmin Su; Martin R. Bryce","New ionic dinuclear Ir(III) Schiff base complexes with aggregation-induced phosphorescent emission (AIPE)","Chem.Commun.","2014","50","","6977","","10.1039/C4CC01799D","","","0.71073","MoKα","","0.0837","0.0546","","","0.1316","0.1403","","","","","","1.013","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114579","14.634","0.0013","11.9762","0.0011","13.9876","0.0011","90","","109.376","0.004","90","","2312.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H44 B O3 P -","- C22 H44 B O3 P -","- C88 H176 B4 O12 P4 -","4","1","","Tongen Wang; Douglas W. Stephan","Phosphine catalyzed reduction of CO2 with boranes","Chem.Commun.","2014","50","","7007","","10.1039/C4CC02103G","","","0.71073","MoKα","","0.0827","0.0481","","","0.1283","0.1525","","","","","","0.932","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114580","11.0787","0.0007","11.8207","0.0009","12.1674","0.0008","69.226","0.004","68.012","0.004","80.563","0.004","1380.57","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 B O3 P -","- C31 H38 B O3 P -","- C62 H76 B2 O6 P2 -","2","1","","Tongen Wang; Douglas W. Stephan","Phosphine catalyzed reduction of CO2 with boranes","Chem.Commun.","2014","50","","7007","","10.1039/C4CC02103G","","","0.71073","MoKα","","0.0548","0.0404","","","0.1321","0.1455","","","","","","1.047","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114581","12.309","0.003","23.558","0.005","7.8737","0.0016","90","","90","","90","","2283.2","0.9","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C29 H19 N4 O2 -","- C29 H19 N4 O2 -","- C116 H76 N16 O8 -","4","1","","Bing Liu; Enxiang Wei; Shaoxia Lin; Baozhong Zhao; Fushun Liang","Synthesis of spiro[isoquinolinone-4,2'-oxiranes] and isoindolinones via a multicomponent reaction of 2-acetyl-oxirane-2-carboxamides, arylaldehydes and malononitrile","Chem.Commun.","2014","50","","6995","","10.1039/C4CC02141J","","","0.71073","MoKα","","0.0677","0.0482","","","0.0864","0.0942","","","","","","1.016","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114582","14.1047","0.0017","15.5305","0.0018","7.6769","0.0009","90","","98.18","0.002","90","","1664.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H11 N2 O2 -","- C22 H11 N2 O2 -","- C88 H44 N8 O8 -","4","1","","Bing Liu; Enxiang Wei; Shaoxia Lin; Baozhong Zhao; Fushun Liang","Synthesis of spiro[isoquinolinone-4,2'-oxiranes] and isoindolinones via a multicomponent reaction of 2-acetyl-oxirane-2-carboxamides, arylaldehydes and malononitrile","Chem.Commun.","2014","50","","6995","","10.1039/C4CC02141J","","","0.71073","MoKα","","0.0899","0.0701","","","0.22","0.2418","","","","","","1.064","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7114583","9.604","0.0016","10.461","0.0017","13.63","0.0019","92.552","0.014","103.678","0.017","91.248","0.008","1328.5","0.4","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C22.5 H23 Cl Fe2 N O5 P Se2 -","- C22.5 H23 Cl Fe2 N O5 P Se2 -","- C45 H46 Cl2 Fe4 N2 O10 P2 Se4 -","2","1","","Bing Liu; Enxiang Wei; Shaoxia Lin; Baozhong Zhao; Fushun Liang","Synthesis of spiro[isoquinolinone-4,2'-oxiranes] and isoindolinones via a multicomponent reaction of 2-acetyl-oxirane-2-carboxamides, arylaldehydes and malononitrile","Chem.Commun.","2014","50","","6995","","10.1039/C4CC02141J","","","0.71075","MoKα","","0.0754","0.0698","","","0.1679","0.1792","","","","","","1.056","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7114584","8.0662","0.0003","12.7774","0.0004","31.4054","0.0011","90","","90","","90","","3236.8","0.19","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H12 Cl N O5 -","- C19 H12 Cl N O5 -","- C152 H96 Cl8 N8 O40 -","8","2","","Divya K. Nair; Rubem F. S. Menna-Barreto; Eufranio N. da Silva Junior; Shaikh M. Mobin; Irishi N. N. Namboothiri","Chiral squaramide-catalyzed asymmetric synthesis of pyranones and pyranonaphthoquinones via cascade reactions of 1,3-dicarbonyls with Morita-Baylis-Hillman acetates of nitroalkenes","Chem.Commun.","2014","50","","6973","","10.1039/C4CC02279C","","","0.71073","MoKα","","0.0583","0.0521","","","0.1331","0.1374","","","","","","1.072","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7114585","11.1354","0.0008","12.2243","0.0005","17.8241","0.0007","87.524","0.004","85.065","0.005","87.053","0.005","2412.2","0.2","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C55 H75 N3 Ni O -","- C55 H75 N3 Ni O -","- C110 H150 N6 Ni2 O2 -","2","1","","Stefan Pelties; Dirk Herrmann; Bas de Bruin; Frantisek Hartl; Robert Wolf","Selective P4 activation by an organometallic nickel(I) radical: formation of a dinuclear nickel(II) tetraphosphide and related di- and trichalcogenides","Chem.Commun.","2014","50","","7014","","10.1039/C4CC02601B","","","1.54178","CuKα","","0.0606","0.0476","","","0.1224","0.1354","","","","","","1.041","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114586","13.0231","0.0005","14.2423","0.0006","18.1147","0.0005","100.585","0.003","95.676","0.003","114.757","0.004","2940.4","0.2","123.01","0.1","123.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H82 N4 Ni2 S2 -","- C64 H82 N4 Ni2 S2 -","- C128 H164 N8 Ni4 S4 -","2","1","","Stefan Pelties; Dirk Herrmann; Bas de Bruin; Frantisek Hartl; Robert Wolf","Selective P4 activation by an organometallic nickel(I) radical: formation of a dinuclear nickel(II) tetraphosphide and related di- and trichalcogenides","Chem.Commun.","2014","50","","7014","","10.1039/C4CC02601B","","","1.54178","CuKα","","0.0368","0.0302","","","0.0738","0.0782","","","","","","1.024","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114587","19.558","0.0003","20.1611","0.0002","16.7962","0.0002","90","","96.192","0.001","90","","6584.29","0.14","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H96 N4 Ni2 Se2 -","- C70 H96 N4 Ni2 Se2 -","- C280 H384 N16 Ni8 Se8 -","4","1","","Stefan Pelties; Dirk Herrmann; Bas de Bruin; Frantisek Hartl; Robert Wolf","Selective P4 activation by an organometallic nickel(I) radical: formation of a dinuclear nickel(II) tetraphosphide and related di- and trichalcogenides","Chem.Commun.","2014","50","","7014","","10.1039/C4CC02601B","","","1.54178","CuKα","","0.0382","0.0296","","","0.0709","0.0759","","","","","","1.022","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114588","19.6963","0.0001","20.4733","0.0001","16.9303","0.0001","90","","98.058","0.001","90","","6759.71","0.06","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H96 N4 Ni2 Te2 -","- C70 H96 N4 Ni2 Te2 -","- C280 H384 N16 Ni8 Te8 -","4","1","","Stefan Pelties; Dirk Herrmann; Bas de Bruin; Frantisek Hartl; Robert Wolf","Selective P4 activation by an organometallic nickel(I) radical: formation of a dinuclear nickel(II) tetraphosphide and related di- and trichalcogenides","Chem.Commun.","2014","50","","7014","","10.1039/C4CC02601B","","","1.54178","CuKα","","0.0302","0.0277","","","0.0717","0.0735","","","","","","1.037","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114589","16.676","0.0004","18.4118","0.0005","38.8467","0.001","90","","96.027","0.002","90","","11861.4","0.5","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H82 N4 Ni2 S3 -","- C64 H82 N4 Ni2 S3 -","- C512 H656 N32 Ni16 S24 -","8","2","","Stefan Pelties; Dirk Herrmann; Bas de Bruin; Frantisek Hartl; Robert Wolf","Selective P4 activation by an organometallic nickel(I) radical: formation of a dinuclear nickel(II) tetraphosphide and related di- and trichalcogenides","Chem.Commun.","2014","50","","7014","","10.1039/C4CC02601B","","","1.54178","CuKα","","0.0475","0.0367","","","0.0903","0.0961","","","","","","1.01","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7114590","16.8208","0.0006","18.4669","0.001","39.0547","0.001","90","","96.196","0.003","90","","12060.6","0.8","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H82 N4 Ni2 Se3 -","- C64 H82 N4 Ni2 Se3 -","- C512 H656 N32 Ni16 Se24 -","8","2","","Stefan Pelties; Dirk Herrmann; Bas de Bruin; Frantisek Hartl; Robert Wolf","Selective P4 activation by an organometallic nickel(I) radical: formation of a dinuclear nickel(II) tetraphosphide and related di- and trichalcogenides","Chem.Commun.","2014","50","","7014","","10.1039/C4CC02601B","","","1.54178","CuKα","","0.0495","0.0409","","","0.0985","0.104","","","","","","1.031","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114591","13.7371","0.0002","23.694","0.0005","19.4754","0.0003","90","","91.093","0.002","90","","6337.83","0.19","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H86 N4 Ni2 O0.5 P4 -","- C66 H86 N4 Ni2 O0.5 P4 -","- C264 H344 N16 Ni8 O2 P16 -","4","1","","Stefan Pelties; Dirk Herrmann; Bas de Bruin; Frantisek Hartl; Robert Wolf","Selective P4 activation by an organometallic nickel(I) radical: formation of a dinuclear nickel(II) tetraphosphide and related di- and trichalcogenides","Chem.Commun.","2014","50","","7014","","10.1039/C4CC02601B","","","1.54178","CuKα","","0.0465","0.0366","","","0.0925","0.0995","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7114592","9.1771","0.0003","9.3242","0.0003","18.2253","0.0005","92.783","0.002","90.158","0.002","116.159","0.003","1397.63","0.08","123","0.16","123","0.16","","","","","","","","4","P -1","-P 1","2","","","","- C32 H41 N2 Ni -","- C32 H41 N2 Ni -","- C64 H82 N4 Ni2 -","2","1","","Stefan Pelties; Dirk Herrmann; Bas de Bruin; Frantisek Hartl; Robert Wolf","Selective P4 activation by an organometallic nickel(I) radical: formation of a dinuclear nickel(II) tetraphosphide and related di- and trichalcogenides","Chem.Commun.","2014","50","","7014","","10.1039/C4CC02601B","","","1.54178","CuKα","","0.0304","0.0293","","","0.0737","0.0745","","","","","","1.035","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114593","12.4764","0.0004","36.2568","0.001","12.7163","0.0004","90","","90.223","0.003","90","","5752.2","0.3","123","0.1","123","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 N2 Ni -","- C32 H42 N2 Ni -","- C256 H336 N16 Ni8 -","8","2","","Stefan Pelties; Dirk Herrmann; Bas de Bruin; Frantisek Hartl; Robert Wolf","Selective P4 activation by an organometallic nickel(I) radical: formation of a dinuclear nickel(II) tetraphosphide and related di- and trichalcogenides","Chem.Commun.","2014","50","","7014","","10.1039/C4CC02601B","","x-ray","0.7107","MoKα","","0.0696","0.0627","","","0.1742","0.1771","","","","","","1.159","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114594","22.8909","0.0001","11.1074","0.0001","9.0371","0.0001","90","","90","","90","","2297.76","0.03","123.1","0.4","123.1","0.4","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C26 H29 N2 Ni -","- C26 H29 N2 Ni -","- C104 H116 N8 Ni4 -","4","0.5","","Stefan Pelties; Dirk Herrmann; Bas de Bruin; Frantisek Hartl; Robert Wolf","Selective P4 activation by an organometallic nickel(I) radical: formation of a dinuclear nickel(II) tetraphosphide and related di- and trichalcogenides","Chem.Commun.","2014","50","","7014","","10.1039/C4CC02601B","","x-ray","1.54178","CuKα","","0.0309","0.0298","","","0.0789","0.0798","","","","","","1.12","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114595","9.2397","0.0001","18.6957","0.0002","21.5074","0.0002","90","","93.779","0.001","90","","3707.17","0.07","123.1","0.2","123.1","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 N2 Ni -","- C37 H51 N2 Ni -","- C148 H204 N8 Ni4 -","4","1","","Stefan Pelties; Dirk Herrmann; Bas de Bruin; Frantisek Hartl; Robert Wolf","Selective P4 activation by an organometallic nickel(I) radical: formation of a dinuclear nickel(II) tetraphosphide and related di- and trichalcogenides","Chem.Commun.","2014","50","","7014","","10.1039/C4CC02601B","","x-ray","1.54178","CuKα","","0.0427","0.0384","","","0.108","0.1121","","","","","","1.074","","","","has coordinates,has disorder","180259","2020-10-21","18:00:00",""
"7114596","12.7889","0.0002","16.8666","0.0003","16.4852","0.0003","90","","94.486","0.001","90","","3545.05","0.11","122.96","0.18","122.96","0.18","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H49 F6 N2 Ni O P -","- C36 H49 F6 N2 Ni O P -","- C144 H196 F24 N8 Ni4 O4 P4 -","4","1","","Stefan Pelties; Dirk Herrmann; Bas de Bruin; Frantisek Hartl; Robert Wolf","Selective P4 activation by an organometallic nickel(I) radical: formation of a dinuclear nickel(II) tetraphosphide and related di- and trichalcogenides","Chem.Commun.","2014","50","","7014","","10.1039/C4CC02601B","","","1.54178","CuKα","","0.0268","0.0258","","","0.0661","0.0671","","","","","","1.059","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114597","17.4172","0.0008","7.0912","0.0004","13.2491","0.0008","90","","90","","90","","1636.38","0.15","296.1","","296.1","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H21 B F4 N2 -","- C15 H22 B F4 N2 -","- C60 H88 B4 F16 N8 -","4","0.5","","Travis Lundrigan; T. Stanley Cameron; Alison Thompson","Activation and deprotection of F-BODIPYs using boron trihalides","Chem.Commun.","2014","50","","7028","","10.1039/C4CC02706J","","","0.7107","MoKα","","","0.0595","","","","0.0654","","","","","","1.179","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114598","11.3483","0.0003","13.1679","0.0003","14.9704","0.0003","90","","103.528","0.002","90","","2175.01","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N O5 -","- C28 H25 N O5 -","- C112 H100 N4 O20 -","4","1","","Asif Noor; Warrick K. C. Lo; Stephen C. Moratti; James D. Crowley","CuAAC 'click' active-template synthesis of functionalised [2]rotaxanes using small exo-substituted macrocycles: how small is too small?","Chem.Commun.","2014","50","","7044","","10.1039/C4CC03077J","","","1.5418","CuKα","","0.0603","0.0464","","","0.1338","0.1385","","","","","","1.14","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114599","10.9095","0.0003","11.1519","0.0003","11.665","0.0004","76.633","0.003","88.947","0.003","63.197","0.003","1226.35","0.07","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N O5 -","- C30 H29 N O5 -","- C60 H58 N2 O10 -","2","1","","Asif Noor; Warrick K. C. Lo; Stephen C. Moratti; James D. Crowley","CuAAC 'click' active-template synthesis of functionalised [2]rotaxanes using small exo-substituted macrocycles: how small is too small?","Chem.Commun.","2014","50","","7044","","10.1039/C4CC03077J","","","1.5418","CuKα","","0.0421","0.0393","","","0.158","0.1628","","","","","","1.431","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114600","11.0416","0.0001","21.5483","0.0002","21.3436","0.0002","90","","91.7631","0.0009","90","","5075.83","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C57 H50 Ag F3 N2 O13 S -","- C57 H50 Ag F3 N2 O13 S -","- C228 H200 Ag4 F12 N8 O52 S4 -","4","2","","Asif Noor; Warrick K. C. Lo; Stephen C. Moratti; James D. Crowley","CuAAC 'click' active-template synthesis of functionalised [2]rotaxanes using small exo-substituted macrocycles: how small is too small?","Chem.Commun.","2014","50","","7044","","10.1039/C4CC03077J","","","1.5418","CuKα","","0.0389","0.036","","","0.0895","0.0934","","","","","","0.957","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114601","12.3931","0.0003","12.749","0.0003","19.1316","0.0002","106.432","0.002","90.948","0.002","108.504","0.002","2730.58","0.11","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H58 Ag F3 N2 O13 S -","- C61 H58 Ag F3 N2 O13 S -","- C122 H116 Ag2 F6 N4 O26 S2 -","2","1","","Asif Noor; Warrick K. C. Lo; Stephen C. Moratti; James D. Crowley","CuAAC 'click' active-template synthesis of functionalised [2]rotaxanes using small exo-substituted macrocycles: how small is too small?","Chem.Commun.","2014","50","","7044","","10.1039/C4CC03077J","","","1.5418","CuKα","","0.0423","0.0416","","","0.1133","0.1142","","","","","","1.037","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114602","11.7502","0.0004","15.4683","0.0005","17.5738","0.0003","108.091","0.002","101.907","0.002","98.189","0.003","2896.75","0.16","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C124 H116 Ag2 F6 N8 O18 S2 -","- C124 H116 Ag2 F6 N8 O18 S2 -","- C124 H116 Ag2 F6 N8 O18 S2 -","1","0.5","","Asif Noor; Warrick K. C. Lo; Stephen C. Moratti; James D. Crowley","CuAAC 'click' active-template synthesis of functionalised [2]rotaxanes using small exo-substituted macrocycles: how small is too small?","Chem.Commun.","2014","50","","7044","","10.1039/C4CC03077J","","","1.5418","CuKα","","0.0612","0.0591","","","0.1733","0.1775","","","","","","0.884","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114603","13.2901","0.0003","15.2869","0.0004","18.7961","0.0004","93.05","0.002","110.232","0.002","114.384","0.002","3176.5","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C68.1 H66.6 Mn N8 O4.2 Os P2 -","- C68.1 H60.8 Mn N8 O4.2 Os P2 -","- C136.2 H121.6 Mn2 N16 O8.4 Os2 P4 -","2","1","","Eugenia V. Peresypkina; Anna M. Majcher; Michal Rams; Kira E. Vostrikova","A single chain magnet involving hexacyanoosmate","Chem.Commun.","2014","50","","7150","","10.1039/C3CC48972H","","","1.54178","CuKα","","0.0501","0.0417","","","0.1117","0.1162","","","","","","0.97","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7114604","14.5278","0.0006","14.5993","0.0006","17.0361","0.0003","90","","90","","90","","3613.3","0.2","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 S -","- C22 H24 N2 S -","- C176 H192 N16 S8 -","8","1","","Bin-Miao Yang; Kai Xiang; Yong-Qiang Tu; Shi-Heng Zhang; Deng-Tao Yang; Shao-Hua Wang; Fu-Ming Zhang","Spiro-fused six-membered N-heterocyclic carbene: a new scaffold toward unique properties and activities","Chem.Commun.","2014","50","","7163","","10.1039/C4CC01627K","","","0.7107","MoKα","","0.0599","0.048","","","0.1155","0.124","","","","","","1.035","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114605","9.802","0.013","19","0.03","11.112","0.015","90","","91.156","0.012","90","","2069","5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 B F4 N2 -","- C22 H25 B F4 N2 -","- C88 H100 B4 F16 N8 -","4","1","","Bin-Miao Yang; Kai Xiang; Yong-Qiang Tu; Shi-Heng Zhang; Deng-Tao Yang; Shao-Hua Wang; Fu-Ming Zhang","Spiro-fused six-membered N-heterocyclic carbene: a new scaffold toward unique properties and activities","Chem.Commun.","2014","50","","7163","","10.1039/C4CC01627K","","","0.71073","MoKα","","0.2913","0.1613","","","0.168","0.1933","","","","","","1.162","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114606","19.6622","0.0008","10.8065","0.0004","19.9969","0.0009","90","","105.351","0.004","90","","4097.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Au Cl N2 -","- C22 H24 Au Cl N2 -","- C176 H192 Au8 Cl8 N16 -","8","2","","Bin-Miao Yang; Kai Xiang; Yong-Qiang Tu; Shi-Heng Zhang; Deng-Tao Yang; Shao-Hua Wang; Fu-Ming Zhang","Spiro-fused six-membered N-heterocyclic carbene: a new scaffold toward unique properties and activities","Chem.Commun.","2014","50","","7163","","10.1039/C4CC01627K","","","1.54184","CuKα","","0.1407","0.1202","","","0.33","0.3512","","","","","","1.119","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114607","8.8224","0.0002","14.8677","0.0005","14.68","0.0006","90","","96.474","0.003","90","","1913.28","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 B F3 N2 -","- C22 H24 B F3 N2 -","- C88 H96 B4 F12 N8 -","4","1","","Bin-Miao Yang; Kai Xiang; Yong-Qiang Tu; Shi-Heng Zhang; Deng-Tao Yang; Shao-Hua Wang; Fu-Ming Zhang","Spiro-fused six-membered N-heterocyclic carbene: a new scaffold toward unique properties and activities","Chem.Commun.","2014","50","","7163","","10.1039/C4CC01627K","","","0.7107","MoKα","","0.0655","0.0467","","","0.0985","0.1089","","","","","","1.063","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114608","22.4845","0.0005","15.3897","0.0005","12.7631","0.0003","90","","90","","90","","4416.4","0.2","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H56 Cl2 Cu2 N4 O -","- C48 H56 Cl2 Cu2 N4 O -","- C192 H224 Cl8 Cu8 N16 O4 -","4","1","","Bin-Miao Yang; Kai Xiang; Yong-Qiang Tu; Shi-Heng Zhang; Deng-Tao Yang; Shao-Hua Wang; Fu-Ming Zhang","Spiro-fused six-membered N-heterocyclic carbene: a new scaffold toward unique properties and activities","Chem.Commun.","2014","50","","7163","","10.1039/C4CC01627K","","","0.7107","MoKα","","0.0457","0.0385","","","0.0964","0.1018","","","","","","1.059","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114609","12.4457","0.0009","9.7837","0.0005","28.322","0.002","90","","90","","90","","3448.6","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 -","- C22 H24 N2 -","- C176 H192 N16 -","8","1","","Bin-Miao Yang; Kai Xiang; Yong-Qiang Tu; Shi-Heng Zhang; Deng-Tao Yang; Shao-Hua Wang; Fu-Ming Zhang","Spiro-fused six-membered N-heterocyclic carbene: a new scaffold toward unique properties and activities","Chem.Commun.","2014","50","","7163","","10.1039/C4CC01627K","","","0.7107","MoKα","","0.1496","0.0734","","","0.1593","0.2098","","","","","","1.025","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114610","11.1034","0.0003","19.4323","0.0004","13.1451","0.0003","90","","112.161","0.003","90","","2626.73","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Cl N2 Rh -","- C30 H36 Cl N2 Rh -","- C120 H144 Cl4 N8 Rh4 -","4","1","","Bin-Miao Yang; Kai Xiang; Yong-Qiang Tu; Shi-Heng Zhang; Deng-Tao Yang; Shao-Hua Wang; Fu-Ming Zhang","Spiro-fused six-membered N-heterocyclic carbene: a new scaffold toward unique properties and activities","Chem.Commun.","2014","50","","7163","","10.1039/C4CC01627K","","","0.7107","MoKα","","0.0485","0.0356","","","0.071","0.0771","","","","","","1.032","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114611","11.4316","0.0004","20.5365","0.0008","18.732","0.0007","90","","105.371","0.001","90","","4240.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H54 B Cu N4 -","- C49 H54 B Cu N4 -","- C196 H216 B4 Cu4 N16 -","4","1","","Valentina A. Krylova; Peter I. Djurovich; Brian L. Conley; Ralf Haiges; Matthew T. Whited; Travis J. Williams; Mark E. Thompson","Control of emission colour with N-heterocyclic carbene (NHC) ligands in phosphorescent three-coordinate Cu(I) complexes","Chem.Commun.","2014","50","","7176","","10.1039/C4CC02037E","","","0.71073","MoKα","","0.0356","0.0302","","","0.0831","0.0867","","","","","","1.032","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114612","11.595","0.0005","11.6113","0.0005","24.245","0.001","95.896","0.001","102.601","0.001","102.694","0.001","3068.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H36 B Cu N4 -","- C35 H36 B Cu N4 -","- C140 H144 B4 Cu4 N16 -","4","2","","Valentina A. Krylova; Peter I. Djurovich; Brian L. Conley; Ralf Haiges; Matthew T. Whited; Travis J. Williams; Mark E. Thompson","Control of emission colour with N-heterocyclic carbene (NHC) ligands in phosphorescent three-coordinate Cu(I) complexes","Chem.Commun.","2014","50","","7176","","10.1039/C4CC02037E","","","0.71073","MoKα","","0.0784","0.0448","","","0.0933","0.1045","","","","","","1.017","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114613","19.1311","0.001","8.4051","0.0005","19.2334","0.001","90","","107.483","0.002","90","","2949.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 B Cu N6 -","- C33 H34 B Cu N6 -","- C132 H136 B4 Cu4 N24 -","4","1","","Valentina A. Krylova; Peter I. Djurovich; Brian L. Conley; Ralf Haiges; Matthew T. Whited; Travis J. Williams; Mark E. Thompson","Control of emission colour with N-heterocyclic carbene (NHC) ligands in phosphorescent three-coordinate Cu(I) complexes","Chem.Commun.","2014","50","","7176","","10.1039/C4CC02037E","","","0.71073","MoKα","","0.0314","0.0279","","","0.0762","0.0783","","","","","","1.056","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114614","16.535","0.0015","20.3273","0.0019","11.0518","0.001","90","","90","","90","","3714.6","0.6","145","2","145","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H50 B Cu N4 -","- C39 H50 B Cu N4 -","- C156 H200 B4 Cu4 N16 -","4","0.5","","Valentina A. Krylova; Peter I. Djurovich; Brian L. Conley; Ralf Haiges; Matthew T. Whited; Travis J. Williams; Mark E. Thompson","Control of emission colour with N-heterocyclic carbene (NHC) ligands in phosphorescent three-coordinate Cu(I) complexes","Chem.Commun.","2014","50","","7176","","10.1039/C4CC02037E","","","0.71073","MoKα","","0.0638","0.0439","","","0.0748","0.0769","","","","","","1.524","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7114615","11.666","0.009","11.764","0.009","18.282","0.014","78.585","0.016","88.896","0.019","63.247","0.016","2189","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H42 Cl2 Fe N8 O6 -","- C48 H42 Cl2 Fe N8 O6 -","- C96 H84 Cl4 Fe2 N16 O12 -","2","1","","Jesse V. Gavette; Christina M. Klug; Lev N. Zakharov; Matthew P. Shores; Michael M. Haley; Darren W. Johnson","Intramolecular N-HCl hydrogen bonds in the outer coordination sphere of a bipyridyl bisurea-based ligand stabilize a tetrahedral FeLCl2 complex","Chem.Commun.","2014","50","","7173","","10.1039/C4CC02297A","","","0.71073","MoKα","","0.1693","0.0838","","","0.1879","0.2368","","","","","","1.006","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114616","14.361","0.0014","8.1428","0.0007","18.0294","0.0017","90","","91.916","0.003","90","","2107.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 F6 Fe N5 O2.5 P -","- C15 H19 F6 Fe N5 O2.5 P -","- C60 H76 F24 Fe4 N20 O10 P4 -","4","1","","Alan Kay Liang Teo; Wai Yip Fan","A novel iron complex for highly efficient catalytic hydrogen generation from the hydrolysis of organosilanes","Chem.Commun.","2014","50","","7191","","10.1039/C4CC02852J","","","0.71073","MoKα","","0.145","0.073","","","0.1435","0.1632","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7114617","10.5133","0.0006","27.0087","0.0015","18.8062","0.001","90","","93.125","0.002","90","","5332.1","0.5","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H73 B Cu2 F4 N4 O -","- C54 H73 B Cu2 F4 N4 O -","- C216 H292 B4 Cu8 F16 N16 O4 -","4","1","","Houssein Ibrahim; Regis Guillot; Federico Cisnetti; Arnaud Gautier","[{Cu(IPr)}2(mu-OH)][BF4]: synthesis and halide-free CuAAC catalysis","Chem.Commun.","2014","50","","7154","","10.1039/C4CC03346A","","x-ray","0.71073","MoKα","","0.0742","0.0444","","","0.1086","0.1206","","","","","","1.025","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7114618","8.8244","0.0007","10.0482","0.0008","20.7767","0.0016","90","","90","","90","","1842.3","0.3","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","I. A. O'Neil; M. McConville; K. Zhou; C. Brooke; C. M. Robertson; N. G. Berry","The synthesis and structure of chiral enamine N-oxides","Chem.Commun.","2014","50","","7336","","10.1039/C3CC47928E","","","0.71073","MoKα","","0.0301","0.0291","","","0.0716","0.0724","","","","","","1.052","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114619","10.252","0.002","10.869","0.002","40.512","0.009","90","","90","","90","","4514.2","1.6","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O6 -","- C25 H29 N O6 -","- C200 H232 N8 O48 -","8","2","","I. A. O'Neil; M. McConville; K. Zhou; C. Brooke; C. M. Robertson; N. G. Berry","The synthesis and structure of chiral enamine N-oxides","Chem.Commun.","2014","50","","7336","","10.1039/C3CC47928E","","","0.71073","MoKα","","0.0397","0.0359","","","0.0854","0.0874","","","","","","1.053","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114620","23.642","0.003","5.7597","0.0006","19.018","0.003","90","","105.496","0.004","90","","2495.6","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 N O S -","- C33 H23 N O S -","- C132 H92 N4 O4 S4 -","4","1","","Chunping Ma; Bingjia Xu; Gaoyi Xie; Jiajun He; Xie Zhou; Bangyin Peng; Long Jiang; Bin Xu; Wenjing Tian; Zhenguo Chi; Siwei Liu; Yi Zhang; Jiarui Xu","An AIE-active luminophore with tunable and remarkable fluorescence switching based on the piezo and protonation-deprotonation control","Chem.Commun.","2014","50","","7374","","10.1039/C4CC01012D","","","0.71073","MoKα","","0.0714","0.0505","","","0.1264","0.1393","","","","","","1.055","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114621","25.4332","0.0006","13.2344","0.0003","10.6949","0.0003","90","","96.568","0.002","90","","3576.2","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 Cl N O3 S -","- C41 H40 Cl N O3 S -","- C164 H160 Cl4 N4 O12 S4 -","4","1","","Chunping Ma; Bingjia Xu; Gaoyi Xie; Jiajun He; Xie Zhou; Bangyin Peng; Long Jiang; Bin Xu; Wenjing Tian; Zhenguo Chi; Siwei Liu; Yi Zhang; Jiarui Xu","An AIE-active luminophore with tunable and remarkable fluorescence switching based on the piezo and protonation-deprotonation control","Chem.Commun.","2014","50","","7374","","10.1039/C4CC01012D","","","1.54178","CuKα","","0.0922","0.0727","","","0.1999","0.2171","","","","","","1.07","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114622","21.1014","0.0011","9.2666","0.0006","13.5115","0.0007","90","","100.062","0.001","90","","2601.4","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Cl N O S -","- C33 H24 Cl N O S -","- C132 H96 Cl4 N4 O4 S4 -","4","1","","Chunping Ma; Bingjia Xu; Gaoyi Xie; Jiajun He; Xie Zhou; Bangyin Peng; Long Jiang; Bin Xu; Wenjing Tian; Zhenguo Chi; Siwei Liu; Yi Zhang; Jiarui Xu","An AIE-active luminophore with tunable and remarkable fluorescence switching based on the piezo and protonation-deprotonation control","Chem.Commun.","2014","50","","7374","","10.1039/C4CC01012D","","","0.71073","MoKα","","0.0838","0.0598","","","0.1448","0.1597","","","","","","1.09","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114623","10.6886","0.0005","11.3024","0.0005","12.794","0.0006","67.05","0.002","74.863","0.002","83.714","0.002","1373.83","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H12 B F15 O2 -","- C30 H12 B F15 O2 -","- C60 H24 B2 F30 O4 -","2","1","","Max M. Hansmann; Rebecca L. Melen; Frank Rominger; A. Stephen K. Hashmi; Douglas W. Stephan","B(C6F5)3 promoted cyclisation of internal propargyl esters: structural characterisation of 1,3-dioxolium compounds","Chem.Commun.","2014","50","","7243","","10.1039/C4CC01370K","","","0.71073","MoKα","","0.0887","0.0441","","","0.0859","0.1","","","","","","1.007","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114624","11.732","0.002","20.805","0.004","13.426","0.002","90","","107.896","0.004","90","","3118.5","0.9","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H17 B Cl F15 O2 -","- C32.5 H17 B Cl F15 O2 -","- C130 H68 B4 Cl4 F60 O8 -","4","1","","Max M. Hansmann; Rebecca L. Melen; Frank Rominger; A. Stephen K. Hashmi; Douglas W. Stephan","B(C6F5)3 promoted cyclisation of internal propargyl esters: structural characterisation of 1,3-dioxolium compounds","Chem.Commun.","2014","50","","7243","","10.1039/C4CC01370K","","","0.71073","MoKα","","0.0573","0.0398","","","0.1011","0.1114","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7114625","25.053","0.002","25.053","0.002","9.645","0.0013","90","","90","","120","","5242.7","0.9","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C234 H270 N18 O36 -","18","1","","Xue Zhang; Yifei Li; Hui Shi; Lunan Zhang; Shanshan Zhang; Xianxiu Xu; Qun Liu","Rhodium(III)-catalyzed intramolecular amidoarylation and hydroarylation of alkyne via C-H activation: switchable synthesis of 3,4-fused tricyclic indoles and chromans","Chem.Commun.","2014","50","","7306","","10.1039/C4CC02398F","","","0.71069","MoKα","","0.0843","0.0552","","","0.1344","0.1525","","","","","","1.02","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7114626","21.494","0.004","36.481","0.007","7.28","0.0013","90","","90","","90","","5708.4","1.8","110","2","110","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C34 H34 N4 O4 Zn -","- C34 H34 N4 O4 Zn -","- C272 H272 N32 O32 Zn8 -","8","0.5","","Jie Zhang; Jianming Geng; Guiming Zheng; Jingcao Dai; Zhiyong Fu","Highly stable photoresponsive complex framework formation involves unusual selective hydrogenation of a pyridine derivative","Chem.Commun.","2014","50","","7326","","10.1039/C4CC02584A","","","0.71073","MoKα","","0.045","0.0376","","","0.0847","0.0894","","","","","","1.058","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114627","21.497","0.004","36.708","0.007","7.2655","0.0014","90","","90","","90","","5733.3","1.9","110","2","110","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C34 H34 N4 O4 Zn -","- C34 H34 N4 O4 Zn -","- C272 H272 N32 O32 Zn8 -","8","0.5","","Jie Zhang; Jianming Geng; Guiming Zheng; Jingcao Dai; Zhiyong Fu","Highly stable photoresponsive complex framework formation involves unusual selective hydrogenation of a pyridine derivative","Chem.Commun.","2014","50","","7326","","10.1039/C4CC02584A","","","0.71073","MoKα","","0.0518","0.0388","","","0.0825","0.0885","","","","","","1.088","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114628","12.0655","0.0014","7.4251","0.0008","18.788","0.002","90","","111.551","0.008","90","","1565.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Virendra Kumar Tiwari; Govind Goroba Pawar; Himanshu Sekhar Jena; Manmohan Kapur","Palladium catalyzed, heteroatom-guided C-H functionalization in the synthesis of substituted isoquinolines and dihydroisoquinolines","Chem.Commun.","2014","50","","7322","","10.1039/C4CC03165B","","","0.71073","MoKα","","0.1455","0.0605","","","0.177","0.2505","","","","","","1.221","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114629","10.0609","0.0009","7.6268","0.0006","22.661","0.002","90","","102.027","0.004","90","","1700.7","0.3","99","2","99","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Virendra Kumar Tiwari; Govind Goroba Pawar; Himanshu Sekhar Jena; Manmohan Kapur","Palladium catalyzed, heteroatom-guided C-H functionalization in the synthesis of substituted isoquinolines and dihydroisoquinolines","Chem.Commun.","2014","50","","7322","","10.1039/C4CC03165B","","","0.71073","MoKα","","0.0492","0.0388","","","0.1248","0.1362","","","","","","1.065","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114630","11.9536","0.0007","17.4706","0.0011","23.2795","0.0015","78.685","0.001","89.654","0.001","71.448","0.001","4511.1","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C40.5 H48 Au Cl F3 N5 O3 S -","- C40.5 H48 Au Cl F3 N5 O3 S -","- C162 H192 Au4 Cl4 F12 N20 O12 S4 -","4","2","","Rong Cai; Dawei Wang; Yunfeng Chen; Wuming Yan; Natalie R. Geise; Sripadh Sharma; Huiyuan Li; Jeffrey L. Petersen; Minyong Li; Xiaodong Shi","Facile synthesis of fluorescent active triazapentalenes through gold-catalyzed triazole-alkyne cyclization","Chem.Commun.","2014","50","","7303","","10.1039/C4CC03175J","","","0.71073","MoKα","","0.069","0.0481","","","0.1281","0.1435","","","","","","0.984","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7114631","7.8543","0.0007","18.5471","0.0016","21.14","0.002","90","","90","","90","","3079.6","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C152 H120 N24 O8 -","8","1","","Rong Cai; Dawei Wang; Yunfeng Chen; Wuming Yan; Natalie R. Geise; Sripadh Sharma; Huiyuan Li; Jeffrey L. Petersen; Minyong Li; Xiaodong Shi","Facile synthesis of fluorescent active triazapentalenes through gold-catalyzed triazole-alkyne cyclization","Chem.Commun.","2014","50","","7303","","10.1039/C4CC03175J","","","0.71073","MoKα","","0.0682","0.061","","","0.1722","0.1805","","","","","","1.03","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114632","8.057","0.0006","22.7381","0.0017","10.3968","0.0007","90","","107.446","0.001","90","","1817.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O4 -","- C21 H17 N3 O4 -","- C84 H68 N12 O16 -","4","1","","Rong Cai; Dawei Wang; Yunfeng Chen; Wuming Yan; Natalie R. Geise; Sripadh Sharma; Huiyuan Li; Jeffrey L. Petersen; Minyong Li; Xiaodong Shi","Facile synthesis of fluorescent active triazapentalenes through gold-catalyzed triazole-alkyne cyclization","Chem.Commun.","2014","50","","7303","","10.1039/C4CC03175J","","","0.71073","MoKα","","0.0585","0.0486","","","0.1338","0.1439","","","","","","1.034","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114633","8.9971","0.0004","10.0949","0.0004","11.5631","0.0008","70.132","0.005","68.095","0.005","80.935","0.006","915.83","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Br N2 O5 -","- C20 H17 Br N2 O5 -","- C40 H34 Br2 N4 O10 -","2","1","","Victor Ceban; Piotr Putaj; Marta Meazza; Mateusz B. Pitak; Simon J. Coles; Jan Vesely; Ramon Rios","Synergistic catalysis: highly diastereoselective benzoxazole addition to Morita-Baylis-Hillman carbonates","Chem.Commun.","2014","50","","7447","","10.1039/C4CC00728J","","","0.71075","MoKα","","0.0273","0.0257","","","0.0675","0.0684","","","","","","1.082","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114634","12.1581","0.0002","23.2662","0.0003","13.242","0.0005","90","","100.424","0.001","90","","3683.98","0.16","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 Cl2 Fe N8 O9 -","- C33 H41 Cl2 Fe N8 O9 -","- C132 H164 Cl8 Fe4 N32 O36 -","4","1","","Yutaka Hitomi; Kengo Arakawa; Masahito Kodera","Synthesis, stability and reactivity of the first mononuclear nonheme oxoiron(IV) species with monoamido ligation: a putative reactive species generated from iron-bleomycin","Chem.Commun.","2014","50","","7485","","10.1039/C4CC01409J","","x-ray","0.71073","MoKα","","0.1542","0.0793","","","0.1904","0.263","","","","","","0.853","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114635","44.175","0.009","31.227","0.006","32.536","0.007","90","","115.67","0.03","90","","40452","18","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C182 H193.5 F18 N18 O35 Ru6 S6 -","- C182 H154.5 F18 N18 O35 Ru6 S6 -","- C1456 H1236 F144 N144 O280 Ru48 S48 -","8","2","","Mishra, Anurag; Dubey, Abhishek; Min, Jin Wook; Kim, Hyunuk; Stang, Peter J.; Chi, Ki-Whan","Molecular self-assembly of arene-Ru based interlocked catenane metalla-cages","Chemical Communications (Cambridge, United Kingdom)","2014","50","56","7542","7544","10.1039/c4cc01991a","","","0.80003","synchrotron","","0.1107","0.095","","","0.2487","0.2649","","","","","","1.06","","","","has coordinates","210740","2020-10-21","18:00:00",""
"7114636","10.77844","0.00012","10.77844","0.00012","16.0189","0.0003","90","","90","","90","","1860.99","0.05","170","2","170","2","","","","","","","","4","P 41","P 4w","76","","","","- C23 H17 F3 N2 -","- C23 H17 F3 N2 -","- C92 H68 F12 N8 -","4","1","","Xuejian Li; Di Chen; Haorui Gu; Xufeng Lin","Enantioselective synthesis of benzazepinoindoles bearing trifluoromethylated quaternary stereocenters catalyzed by chiral spirocyclic phosphoric acids","Chem.Commun.","2014","50","","7538","","10.1039/C4CC02295E","","","1.54184","CuKα","","0.0258","0.0249","","","0.0643","0.0657","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7114637","12.0918","0.0005","21.3853","0.0009","26.0509","0.0012","90","","92.817","0.003","90","","6728.3","0.5","100","2","99.9","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67.5 H73 Cl N2 O12 -","- C67.5 H73 Cl N2 O12 -","- C270 H292 Cl4 N8 O48 -","4","2","","Nathan L. Strutt; Huacheng Zhang; J. Fraser Stoddart","Enantiopure pillar[5]arene active domains within a homochiral metal-organic framework","Chem.Commun.","2014","50","","7455","","10.1039/C4CC02559H","","","1.54178","CuKα","","0.0986","0.0824","","","0.2261","0.2421","","","","","","1.039","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7114638","12.9346","0.0018","11.7299","0.0011","21.685","0.003","90","","97.077","0.009","90","","3265","0.7","100","2","100.02","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C67 H72 N2 O12 -","- C67 H72 N2 O12 -","- C134 H144 N4 O24 -","2","1","","Nathan L. Strutt; Huacheng Zhang; J. Fraser Stoddart","Enantiopure pillar[5]arene active domains within a homochiral metal-organic framework","Chem.Commun.","2014","50","","7455","","10.1039/C4CC02559H","","","1.54178","CuKα","","0.1376","0.0922","","","0.2252","0.2501","","","","","","0.951","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114639","10.8574","0.0015","14.598","0.002","15.654","0.002","90.116","0.002","105.115","0.002","110.614","0.002","2229.8","0.5","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H40 N4 O2 -","- C62 H40 N4 O2 -","- C124 H80 N8 O4 -","2","1","","Takahiro Iwasaki; Tetsuya Kato; Yoichi Kobayashi; Jiro Abe","A chiral BINOL-bridged imidazole dimer possessing sub-millisecond fast photochromism","Chem.Commun.","2014","50","","7481","","10.1039/C4CC02710H","","","0.71073","MoKα","","0.0791","0.0565","","","0.1105","0.1263","","","","","","1.023","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114640","7.4062","0.0014","7.4146","0.0014","16.172","0.003","90","","91.997","0.004","90","","887.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Weiwei Luo; Jiannan Zhao; Chengkai Yin; Xiaohua Liu; Lili Lin; Xiaoming Feng","Catalytic hetero-ene reactions of 5-methyleneoxazolines: highly enantioselective synthesis of 2,5-disubstituted oxazole derivatives","Chem.Commun.","2014","50","","7524","","10.1039/C4CC02809K","","","0.71073","MoKα","","0.0667","0.0466","","","0.0978","0.1069","","","","","","0.957","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114641","11.3897","0.0005","5.3882","0.0002","13.3371","0.0006","90","","106.961","0.005","90","","782.9","0.06","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Br N O3 -","- C18 H14 Br N O3 -","- C36 H28 Br2 N2 O6 -","2","1","","Weiwei Luo; Jiannan Zhao; Chengkai Yin; Xiaohua Liu; Lili Lin; Xiaoming Feng","Catalytic hetero-ene reactions of 5-methyleneoxazolines: highly enantioselective synthesis of 2,5-disubstituted oxazole derivatives","Chem.Commun.","2014","50","","7524","","10.1039/C4CC02809K","","","0.7107","MoKα","","0.0603","0.0443","","","0.0796","0.088","","","","","","1.087","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114642","9.8879","0.0006","12.4088","0.0009","13.0415","0.0009","90","","90","","90","","1600.15","0.19","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Br O -","- C19 H19 Br O -","- C76 H76 Br4 O4 -","4","1","","Claudia Lalli; Pierre van de Weghe","Enantioselective Prins cyclization: BINOL-derived phosphoric acid and CuCl synergistic catalysis","Chem.Commun.","2014","50","","7495","","10.1039/C4CC02826K","","x-ray","0.71073","MoKα","","0.043","0.0333","","","0.0663","0.0701","","","","","","1.032","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114643","7.3428","0.0002","13.2262","0.0003","13.8832","0.0003","89.836","0.001","83.498","0.001","77.413","0.001","1307.1","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H26 K2 Ni O13 S4 -","- C14 H26 K2 Ni O13 S4 -","- C28 H52 K4 Ni2 O26 S8 -","2","1","","Tae Hwan Noh; Jaeseong Jang; Woosik Hong; Haeri Lee; Ok-Sang Jung","Truncated trigonal prismatic tubular crystals consisting of a zeolite L-mimic metal-organic framework","Chem.Commun.","2014","50","","7451","","10.1039/C4CC03097D","","","0.71073","MoKα","","0.0462","0.0376","","","0.0949","0.1008","","","","","","1.025","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114644","15.8928","0.0003","15.8928","0.0003","7.9116","0.0001","90","","90","","120","","1730.6","0.05","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C36 H48 Ag8 Ni2 O31 S12 -","- C36 H48 Ag7.98 Ni2 O31 S12 -","- C36 H48 Ag7.98 Ni2 O31 S12 -","1","0.166667","","Tae Hwan Noh; Jaeseong Jang; Woosik Hong; Haeri Lee; Ok-Sang Jung","Truncated trigonal prismatic tubular crystals consisting of a zeolite L-mimic metal-organic framework","Chem.Commun.","2014","50","","7451","","10.1039/C4CC03097D","","","0.71073","MoKα","","0.105","0.0715","","","0.2221","0.2386","","","","","","1.015","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114645","10.416","0.0006","18.8213","0.0011","9.2633","0.0005","90","","101.539","0.002","90","","1779.3","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 B F2 N4 -","- C20 H17 B F2 N4 -","- C80 H68 B4 F8 N16 -","4","1","","M.C. Chang; E. Otten","Synthesis and ligand-based reduction chemistry of boron difluoride complexes with redox-active formazanate ligands","Chem.Commun.","2014","50","","7431","","10.1039/C4CC03244F","","","0.71073","MoKα","","0.0488","0.0374","","","0.0892","0.0957","","","","","","1.037","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114646","12.2031","0.0007","17.4363","0.0009","14.4788","0.0007","90","","97.446","0.002","90","","3054.8","0.3","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33.25 H33.47 B Co F2 N4 O0.81 -","- C33.243 H33.486 B Co F2 N4 O0.81 -","- C132.972 H133.944 B4 Co4 F8 N16 O3.24 -","4","1","","M.C. Chang; E. Otten","Synthesis and ligand-based reduction chemistry of boron difluoride complexes with redox-active formazanate ligands","Chem.Commun.","2014","50","","7431","","10.1039/C4CC03244F","","","0.71073","MoKα","","0.054","0.0437","","","0.1271","0.136","","","","","","1.072","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114647","28.1225","0.0014","20.6482","0.001","15.3728","0.0007","90","","93.868","0.002","90","","8906.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 B2 F16 N8 Zn -","- C44 H32 B2 F16 N8 Zn -","- C352 H256 B16 F128 N64 Zn8 -","8","2","","M.C. Chang; E. Otten","Synthesis and ligand-based reduction chemistry of boron difluoride complexes with redox-active formazanate ligands","Chem.Commun.","2014","50","","7431","","10.1039/C4CC03244F","","","0.71073","MoKα","","0.0785","0.0526","","","0.1107","0.1209","","","","","","1.083","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114648","9.8616","0.0009","8.0284","0.0008","9.9965","0.0008","90","","118.639","0.005","90","","694.62","0.11","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O6 -","- C14 H22 O6 -","- C28 H44 O12 -","2","1","","Zachary A. Kasun; Laina M. Geary; Michael J. Krische","Ring expansion of cyclic 1,2-diols to form medium sized rings via ruthenium catalyzed transfer hydrogenative [4+2] cycloaddition","Chem.Commun.","2014","50","","7545","","10.1039/C4CC03983A","","","0.71073","MoKα","","0.0605","0.0412","","","0.0864","0.0973","","","","","","1.028","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114649","8.326","0.003","10.119","0.003","14.59","0.004","90.631","0.013","106.543","0.016","91.53","0.011","1177.7","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","2","","Zachary A. Kasun; Laina M. Geary; Michael J. Krische","Ring expansion of cyclic 1,2-diols to form medium sized rings via ruthenium catalyzed transfer hydrogenative [4+2] cycloaddition","Chem.Commun.","2014","50","","7545","","10.1039/C4CC03983A","","","0.71073","MoKα","","0.061","0.0465","","","0.119","0.1251","","","","","","1.054","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114650","7.7752","0.0003","8.7771","0.0003","14.9802","0.0005","102.869","0.003","96.841","0.003","92.197","0.003","987.31","0.06","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C48 H46 N2 O6 -","2","1","","Jie Zhou; Ping Chen; Xu Wang; Yan Wang; Yi Wang; Feng Li; Minghui Yang; Yan Huang; Junsheng Yu; Zhiyun Lu","Charge-transfer-featured materials-promising hosts for fabrication of efficient OLEDs through triplet harvesting via triplet fusion","Chem.Commun.","2014","50","","7586","","10.1039/C4CC00576G","","","0.7107","MoKα","","0.1232","0.0554","","","0.1321","0.1685","","","","","","0.983","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114651","15.081","0.005","16.728","0.005","13.061","0.005","90","","90","","90","","3295","1.9","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H33 Dy N6 O12 -","- C30 H33 Dy N6 O12 -","- C120 H132 Dy4 N24 O48 -","4","1","","Qing-Yuan Yang; Kai Wu; Ji-Jun Jiang; Chien-Wei Hsu; Mei Pan; Jean-Marie Lehn; Cheng-Yong Su","Pure white-light and yellow-to-blue emission tuning in single crystals of Dy(III) metal-organic frameworks","Chem.Commun.","2014","50","","7702","","10.1039/C4CC01763C","","","0.71073","MoKα","","0.081","0.0481","","","0.0894","0.0981","","","","","","0.998","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114652","9.0898","0.0008","9.1926","0.0008","15.1167","0.0014","88.3976","0.0012","75.9926","0.001","75.87","0.0011","1187.84","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H30 Cl Er N3 O17 P3 -","- C9 H30 Cl Er N3 O17 P3 -","- C18 H60 Cl2 Er2 N6 O34 P6 -","2","1","","Min Ren; Song-Song Bao; Rute A. S. Ferreira; Li-Min Zheng; Luis D. Carlos","A layered erbium phosphonate in pseudo-D5h symmetry exhibiting field-tunable magnetic relaxation and optical correlation","Chem.Commun.","2014","50","","7621","","10.1039/C4CC02085E","","","0.71073","MoKα","","0.0299","0.0288","","","0.0702","0.0714","","","","","","1.001","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114653","9.133","0.005","9.226","0.005","15.198","0.008","88.281","0.01","76.324","0.009","75.787","0.009","1205.7","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H30 Cl N3 O17 P3 Y -","- C9 H30 Cl N3 O17 P3 Y -","- C18 H60 Cl2 N6 O34 P6 Y2 -","2","1","","Min Ren; Song-Song Bao; Rute A. S. Ferreira; Li-Min Zheng; Luis D. Carlos","A layered erbium phosphonate in pseudo-D5h symmetry exhibiting field-tunable magnetic relaxation and optical correlation","Chem.Commun.","2014","50","","7621","","10.1039/C4CC02085E","","","0.71073","MoKα","","0.0831","0.0659","","","0.1764","0.1909","","","","","","1.053","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114654","12.6729","0.0005","12.6729","0.0005","10.9338","0.0006","90","","90","","120","","1520.74","0.12","300","2","300","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","Tris[pyrazol-3-ylpyrazine]iron(II) ditetrafluoroborate trihydrate","","- C21 H24 B2 F8 Fe N12 O3 -","- C21 H18 B1.57 F6.28 Fe N12 -","- C42 H36 B3.14 F12.56 Fe2 N24 -","2","0.333333","","Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow","Complex thermal expansion properties in a molecular honeycomb lattice","Chem.Commun.","2014","50","","7601","","10.1039/C4CC02198C","","","0.71073","MoKα","","0.0411","0.0383","","","0.1046","0.1067","","","","","","1.05","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114655","12.6653","0.0009","12.6653","0.0009","11.0258","0.0012","90","","90","","120","","1531.7","0.2","110","2","110","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","Tris[pyrazol-3-ylpyrazine]iron(II) ditetrafluoroborate trihydrate","","- C21 H24 B2 F8 Fe N12 O3 -","- C21 H18 B1.78 F7.12 Fe N12 -","- C42 H36 B3.56 F14.24 Fe2 N24 -","2","0.333333","","Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow","Complex thermal expansion properties in a molecular honeycomb lattice","Chem.Commun.","2014","50","","7601","","10.1039/C4CC02198C","","","0.71073","MoKα","","0.0505","0.0499","","","0.1431","0.1444","","","","","","1.111","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114656","12.6778","0.0007","12.6778","0.0007","10.9308","0.0008","90","","90","","120","","1521.49","0.16","300","2","300","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","Tris[pyrazol-3-ylpyrazine]iron(II) ditetrafluoroborate trihydrate","","- C21 H24 B2 F8 Fe N12 O3 -","- C21 H18 B1.3 F5.2 Fe N12 -","- C42 H36 B2.6 F10.4 Fe2 N24 -","2","0.333333","","Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow","Complex thermal expansion properties in a molecular honeycomb lattice","Chem.Commun.","2014","50","","7601","","10.1039/C4CC02198C","","","0.71073","MoKα","","0.0447","0.0428","","","0.1191","0.1219","","","","","","1.158","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114657","12.66","0.002","12.66","0.002","10.9359","0.0015","90","","90","","120","","1517.9","0.4","300","2","300","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","Tris[pyrazol-3-ylpyrazine]iron(II) ditetrafluoroborate trihydrate","","- C21 H24 B2 F8 Fe N12 O3 -","- C21 H18 B1.3 F5.2 Fe N12 -","- C42 H36 B2.6 F10.4 Fe2 N24 -","2","0.333333","","Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow","Complex thermal expansion properties in a molecular honeycomb lattice","Chem.Commun.","2014","50","","7601","","10.1039/C4CC02198C","","","0.71073","MoKα","","0.0433","0.0419","","","0.1247","0.128","","","","","","1.111","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114658","10.9799","0.0005","14.7027","0.0005","35.1126","0.0009","90","","90","","90","","5668.4","0.4","170","2","170","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C212 H136 F48 Fe4 O28 P8 Ru12 S4 -","4","1","","Ahmed F. Abdel-Magied; Amrendra K. Singh; Matti Haukka; Michael G. Richmond; Ebbe Nordlander","Diastereomeric control of enantioselectivity: evidence for metal cluster catalysis","Chem.Commun.","2014","50","","7705","","10.1039/C4CC02319F","","","0.71073","MoKα","","0.0835","0.0518","","","0.0753","0.0856","","","","","","1.007","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114659","11.9655","0.0004","20.1151","0.0005","49.045","0.003","90","","90","","90","","11804.5","0.9","170","2","170","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C424 H272 F96 Fe8 O56 P16 Ru24 S8 -","8","2","","Ahmed F. Abdel-Magied; Amrendra K. Singh; Matti Haukka; Michael G. Richmond; Ebbe Nordlander","Diastereomeric control of enantioselectivity: evidence for metal cluster catalysis","Chem.Commun.","2014","50","","7705","","10.1039/C4CC02319F","","","0.71073","MoKα","","0.1523","0.1029","","","0.1685","0.1984","","","","","","1.073","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114660","11.8021","0.0004","11.1964","0.0003","10.108","0.0003","90","","115.025","0.004","90","","1210.29","0.07","110","1","110","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 B2 N4 O2 -","- C28 H30 B2 N4 O2 -","- C56 H60 B4 N8 O4 -","2","0.5","","Aneliia Shchyrba; Susanne C. Martens; Christian Wackerlin; Manfred Matena; Toni Ivas; Hubert Wadepohl; Meike Stohr; Thomas A. Jung; Lutz H. Gade","Covalent assembly of a two-dimensional molecular 'sponge' on a Cu(111) surface: confined electronic surface states in open and closed pores","Chem.Commun.","2014","50","","7628","","10.1039/C4CC02463J","","x-ray","0.7107","MoKα","","0.0631","0.0513","","","0.1426","0.1496","","","","","","1.09","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114661","14.051","0.003","16.095","0.003","33.152","0.007","90","","90","","90","","7497","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H62 O5 P2 Si3 Sr -","- C26 H62 O5 P2 Si3 Sr -","- C208 H496 O40 P16 Si24 Sr8 -","8","1","","Kirsten Reuter; Carsten von Hanisch","Stepwise synthesis of a stable diphosphasilirane and its unexpected dimerization","Chem.Commun.","2014","50","","7709","","10.1039/C4CC02489C","","","0.71073","MoKα","","0.0736","0.0366","","","0.0705","0.0763","","","","","","0.792","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114662","12.266","0.003","16.57","0.003","23.821","0.005","90","","90","","90","","4841.6","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H82 Ba O9 P2 Si3 -","- C34 H82 Ba O9 P2 Si3 -","- C136 H328 Ba4 O36 P8 Si12 -","4","1","","Kirsten Reuter; Carsten von Hanisch","Stepwise synthesis of a stable diphosphasilirane and its unexpected dimerization","Chem.Commun.","2014","50","","7709","","10.1039/C4CC02489C","","","0.71073","MoKα","","0.0504","0.0367","","","0.0824","0.1143","","","","","","1.005","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114663","13.6209","0.001","25.4353","0.0012","14.457","0.001","90","","101.199","0.005","90","","4913.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H84 O2 P4 Si6 -","- C36 H84 O2 P4 Si6 -","- C144 H336 O8 P16 Si24 -","4","1","","Kirsten Reuter; Carsten von Hanisch","Stepwise synthesis of a stable diphosphasilirane and its unexpected dimerization","Chem.Commun.","2014","50","","7709","","10.1039/C4CC02489C","","","0.71073","MoKα","","0.0767","0.0318","","","0.0654","0.071","","","","","","0.604","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114664","9.1872","0.0004","10.0783","0.0004","13.0004","0.0005","78.139","0.0019","73.1711","0.0016","87.3815","0.0017","1127.45","0.08","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 Cl2 -","- C30 H20 Cl2 -","- C60 H40 Cl4 -","2","1","","Rassadin, V. A.; Nicolas, E.; Six, Y.","Ti(OiPr)4/nBuLi: an attractive reagent system for [2+2+2] cyclotrimerisation reactions","Chemical Communications (Cambridge, United Kingdom)","2014","50","57","7666","7669","10.1039/c4cc02698e","","","0.71069","MoKα","","0.051","0.0442","","","0.1246","0.1312","","","","","","1.055","","","","has coordinates","211018","2020-10-21","18:00:00",""
"7114665","12.115","0.004","34.605","0.011","20.873","0.007","90","","100.404","0.004","90","","8607","5","173.15","","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H103 F12 N3 O16 P2 -","- C90 H103 F12 N3 O16 P2 -","- C360 H412 F48 N12 O64 P8 -","4","1","","Fei Zeng; Zheng Meng; Ying Han; Chuan-Feng Chen","Formation of a 'pseudosuitane'-type complex between a triptycene-derived bis(crown ether) host and 1,1'-(anthracene-9,10-diyl)bis(N-benzylmethanaminium): a new method for the synthesis of linear polyrotaxanes","Chem.Commun.","2014","50","","7611","","10.1039/C4CC02904F","","","0.71073","MoKα","","0.1736","0.1404","","","0.2804","0.2996","","","","","","1.236","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7115261","6.0562","0.0005","8.3474","0.0007","14.3363","0.0012","80.2127","0.0011","88.9452","0.0011","84.4944","0.0011","710.91","0.1","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H12 N4 O7 S -","- C11 H12 N4 O7 S -","- C22 H24 N8 O14 S2 -","2","2","","Li, Jing; Lowary, Todd L.","Sulfonium ions as inhibitors of the mycobacterial galactofuranosyltransferase GlfT2","MedChemComm","2014","5","8","1130","","10.1039/C4MD00067F","","","0.71073","MoKα","","0.0338","0.0322","","","0.0839","0.0853","","","","","","1.041","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115262","8.98163","0.00014","24.4814","0.0005","17.3224","0.0003","90","","99.3878","0.0015","90","","3757.89","0.12","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H144 Eu4 Mn8 N12 O116 -","- C84 H104 Eu4 Mn8 N12 O116 -","- C84 H104 Eu4 Mn8 N12 O116 -","1","0.25","","Zheng Niu; Sheng Fang; Jian-Gong Ma; Xiao-Ping Zhang; Peng Cheng","Enhancement of adsorption selectivity for MOFs under mild activation and regeneration conditions","Chem.Commun.","2014","50","","7797","","10.1039/C4CC00426D","","","0.71073","MoKα","","0.0526","0.042","","","0.0957","0.0984","","","","","","1.095","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115263","9.019","0.0011","24.563","0.005","17.339","0.002","90","","99.422","0.012","90","","3789.4","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86.67 H104 Eu4 Mn8 N12 O93.33 -","- C86.6664 H88 Eu4 Mn8 N12 O93.3332 -","- C86.6664 H88 Eu4 Mn8 N12 O93.3332 -","1","0.25","","Zheng Niu; Sheng Fang; Jian-Gong Ma; Xiao-Ping Zhang; Peng Cheng","Enhancement of adsorption selectivity for MOFs under mild activation and regeneration conditions","Chem.Commun.","2014","50","","7797","","10.1039/C4CC00426D","","","0.71073","MoKα","","0.1704","0.1031","","","0.2062","0.2484","","","","","","1.056","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115264","8.9103","0.0003","24.1109","0.0008","17.3062","0.0006","90","","98.343","0.003","90","","3678.6","0.2","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C95 H126.65 Eu4 Mn8 N12 O97.33 -","- C95 H106 Eu4 Mn8 N12 O97.32 -","- C95 H106 Eu4 Mn8 N12 O97.32 -","1","0.25","","Zheng Niu; Sheng Fang; Jian-Gong Ma; Xiao-Ping Zhang; Peng Cheng","Enhancement of adsorption selectivity for MOFs under mild activation and regeneration conditions","Chem.Commun.","2014","50","","7797","","10.1039/C4CC00426D","","","0.71073","MoKα","","0.0817","0.0556","","","0.1182","0.1291","","","","","","1.068","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115265","15.683","0.003","16.311","0.003","17.436","0.003","90","","110.279","0.004","90","","4183.8","1.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H49 F6 N5 O S -","- C44 H49 F6 N5 O S -","- C176 H196 F24 N20 O4 S4 -","4","2","","Matea Vlatkovic; Luca Bernardi; Edwin Otten; Ben L. Feringa","Dual stereocontrol over the Henry reaction using a light- and heat-triggered organocatalyst","Chem.Commun.","2014","50","","7773","","10.1039/C4CC00794H","","","1.54178","CuKα","","0.0929","0.059","","","0.1316","0.1468","","","","","","1.022","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115266","10.2812","0.0004","13.6284","0.0005","16.875","0.0007","85.265","0.002","75.138","0.002","81.491","0.002","2257.75","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 Cd2 N12 O11 -","- C46 H34 Cd2 N12 O11 -","- C92 H68 Cd4 N24 O22 -","2","1","","Biswajit Bhattacharya; Animesh Layek; Md. Mehboob Alam; Dilip Kumar Maity; Swapan Chakrabarti; Partha Pratim Ray; Debajyoti Ghoshal","Cd(II) based metal-organic framework behaving as a Schottky barrier diode","Chem.Commun.","2014","50","","7858","","10.1039/C4CC00827H","","","0.71073","MoKα","","0.121","0.0534","","","0.0882","0.11","","","","","","0.986","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115267","5.2893","0.0003","15.6927","0.0008","20.2458","0.001","90","","90","","90","","1680.47","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 B2 N2 O -","- C24 H16 B2 N2 O -","- C96 H64 B8 N8 O4 -","4","1","","Matthias Muller; Stefan Behnle; Cacilia Maichle-Mossmer; Holger F. Bettinger","Boron-nitrogen substituted perylene obtained through photocyclisation","Chem.Commun.","2014","50","","7821","","10.1039/C4CC01424C","","","1.54178","CuKα","","0.037","0.0334","","","0.0908","0.0939","","","","","","1.05","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115268","9.9311","0.0011","14.3912","0.0016","22.008","0.002","90","","90","","90","","3145.4","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 Br2 Cl Fe N2 O2 -","- C30 H40 Br2 Cl Fe N2 O2 -","- C120 H160 Br8 Cl4 Fe4 N8 O8 -","4","1","","Xin Gu; Yan Zhang; Zhen-Jiang Xu; Chi-Ming Che","Iron(III)-salan complexes catalysed highly enantioselective fluorination and hydroxylation of beta-keto esters and N-Boc oxindoles","Chem.Commun.","2014","50","","7870","","10.1039/C4CC01631A","","","0.71073","MoKα","","0.0847","0.0434","","","0.0852","0.0953","","","","","","0.941","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115269","4.08853","0.00017","11.1945","0.0006","27.8189","0.0012","90","","90","","90","","1273.24","0.1","198","","198","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Br N -","- C16 H12 Br N -","- C64 H48 Br4 N4 -","4","1","","Masashi Shibata; Kazunari Nakajima; Yoshiaki Nishibayashi","Enantioselective intramolecular propargylic amination using chiral copper-pybox complexes as catalysts","Chem.Commun.","2014","50","","7874","","10.1039/C4CC01676A","","","0.71075","MoKα","","","0.0365","","","","0.0705","","","","","","1","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115270","10.6547","0.0013","14.1169","0.001","16.878","0.0013","90","","90","","90","","2538.6","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Br2 O3 -","- C11 H10 Br2 O3 -","- C88 H80 Br16 O24 -","8","1","","Tian-Yang Yu; Yao Wang; Xiu-Qin Hu; Peng-Fei Xu","Triphenylphosphine oxide-catalyzed stereoselective poly- and dibromination of unsaturated compounds","Chem.Commun.","2014","50","","7817","","10.1039/C4CC02847C","","","0.7107","MoKα","","0.1172","0.0548","","","0.1121","0.1486","","","","","","1.034","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115271","13.6312","0.001","18.1096","0.0013","27.002","0.002","90","","93.5179","0.0015","90","","6653","0.8","101","2","101","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Twisted Basket Tetramanganese Cluster","","","- C73 H69 Mn4 N13 -","- C73 H69 Mn4 N13 -","- C292 H276 Mn16 N52 -","4","1","","Michael R. Gau; Clifton R. Hamilton; Michael J. Zdilla","Preparation of a 'twisted basket'Mn4N8 cluster: a two-hydrogen-atom reduced analogue of the Mn4N8 pinned butterfly","Chem.Commun.","2014","50","","7780","","10.1039/C4CC02872D","","","0.71073","MoKα","","0.0564","0.0443","","","0.0957","0.1027","","","","","","1.111","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115272","18.311","0.004","18.311","0.004","47.15","0.011","90","","90","","90","","15809","6","100","2","100","2","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C72 H72 Cl8 Mn4 N12 -","- C72 H72 Cl8 Mn4 N12 -","- C576 H576 Cl64 Mn32 N96 -","8","","","Michael R. Gau; Clifton R. Hamilton; Michael J. Zdilla","Preparation of a 'twisted basket'Mn4N8 cluster: a two-hydrogen-atom reduced analogue of the Mn4N8 pinned butterfly","Chem.Commun.","2014","50","","7780","","10.1039/C4CC02872D","","","0.71073","MoKα","","0.0647","0.0471","","","0.1138","0.131","","","","","","1.048","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115273","18.1979","0.0016","22.599","0.002","40.496","0.005","90","","90","","90","","16654","3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","Twisted Basket Mn4","","","- C88 H84 Mn4 N16 -","- C68 H64 Mn4 N12 -","- C544 H512 Mn32 N96 -","8","0.5","","Michael R. Gau; Clifton R. Hamilton; Michael J. Zdilla","Preparation of a 'twisted basket'Mn4N8 cluster: a two-hydrogen-atom reduced analogue of the Mn4N8 pinned butterfly","Chem.Commun.","2014","50","","7780","","10.1039/C4CC02872D","","","0.71073","MoKα","","0.045","0.0379","","","0.099","0.1031","","","","","","1.052","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115274","6.997","0.003","7.231","0.003","15.311","0.006","93.523","0.005","97.073","0.004","101.321","0.006","750.9","0.5","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Fe I N O4 -","- C14 H14 Fe I N O4 -","- C28 H28 Fe2 I2 N2 O8 -","2","1","","Midori Akiyama; Kengo Akagawa; Hidetake Seino; Kazuaki Kudo","Peptide-catalyzed kinetic resolution of planar-chiral metallocenes","Chem.Commun.","2014","50","","7893","","10.1039/C4CC03266G","","","0.71075","MoKα","","","0.0214","","","","0.0484","","","","","","0.967","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115275","17.9087","0.0007","13.6467","0.0006","17.9157","0.0007","90","","94.4847","0.0019","90","","4365.1","0.3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 O4 -","- C28 H24 O4 -","- C224 H192 O32 -","8","1","","Stuart Aiken; Kathryn Booth; Christopher D. Gabbutt; B. Mark Heron; Craig R. Rice; Azzam Charaf-Eddin; Denis Jacquemin","The first structural and spectroscopic characterisation of a ring-opened form of a 2H-naphtho[1,2-b]pyran: a novel photomerocyanine","Chem.Commun.","2014","50","","7900","","10.1039/C4CC03435J","","","1.54178","CuKα","","0.0657","0.0532","","","0.1554","0.1668","","","","","","1.062","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115276","27.415","0.005","18.243","0.004","17.305","0.003","90","","114.471","0.002","90","","7877","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H70 B N3 -","- C39.5 H70 B N3 -","- C316 H560 B8 N24 -","8","1","","David A. Ruiz; Mohand Melaimi; Guy Bertrand","An efficient synthetic route to stable bis(carbene)borylenes [(L1)(L2)BH]","Chem.Commun.","2014","50","","7837","","10.1039/C4CC03497J","","","0.71073","MoKα","","0.1173","0.0629","","","0.1547","0.1813","","","","","","1.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115277","16.2182","0.0007","9.3515","0.0004","21.6436","0.001","90","","104.492","0.002","90","","3178.1","0.2","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H54 B N3 -","- C35 H54 B N3 -","- C140 H216 B4 N12 -","4","1","","David A. Ruiz; Mohand Melaimi; Guy Bertrand","An efficient synthetic route to stable bis(carbene)borylenes [(L1)(L2)BH]","Chem.Commun.","2014","50","","7837","","10.1039/C4CC03497J","","","0.71073","MoKα","","0.0786","0.0492","","","0.1318","0.1654","","","","","","1.111","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115278","22.26","0.012","13.788","0.007","19.769","0.01","90","","106.57","0.007","90","","5816","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H84 B2 F3 N3 O3 S -","- C62 H84 B2 F3 N3 O3 S -","- C248 H336 B8 F12 N12 O12 S4 -","4","1","","David A. Ruiz; Mohand Melaimi; Guy Bertrand","An efficient synthetic route to stable bis(carbene)borylenes [(L1)(L2)BH]","Chem.Commun.","2014","50","","7837","","10.1039/C4CC03497J","","","0.71073","MoKα","","0.1833","0.0522","","","0.0744","0.0995","","","","","","0.787","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115279","14.2524","0.0005","13.4771","0.0005","28.1965","0.0009","90","","91.722","0.001","90","","5413.6","0.3","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H74 B2 F3 N3 O3 S -","- C60 H74 B2 F3 N3 O3 S -","- C240 H296 B8 F12 N12 O12 S4 -","4","1","","David A. Ruiz; Mohand Melaimi; Guy Bertrand","An efficient synthetic route to stable bis(carbene)borylenes [(L1)(L2)BH]","Chem.Commun.","2014","50","","7837","","10.1039/C4CC03497J","","","0.71073","MoKα","","0.062","0.0479","","","0.1248","0.135","","","","","","1.021","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115280","11.1389","0.0006","13.5546","0.0007","16.2662","0.0009","90","","95.456","0.001","90","","2444.8","0.2","100","2","0","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H37 B F3 N O3 S -","- C23 H37 B F3 N O3 S -","- C92 H148 B4 F12 N4 O12 S4 -","4","1","","David A. Ruiz; Mohand Melaimi; Guy Bertrand","An efficient synthetic route to stable bis(carbene)borylenes [(L1)(L2)BH]","Chem.Commun.","2014","50","","7837","","10.1039/C4CC03497J","","","0.71073","MoKα","","0.0346","0.0326","","","0.0872","0.0889","","","","","","1.053","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115281","11.853","0.0007","21.6446","0.0012","12.5652","0.0011","90","","93.647","0.006","90","","3217.1","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H111 Co N3 O14 V4 -","- C50 H111 Co N3 O14 V4 -","- C100 H222 Co2 N6 O28 V8 -","2","1","","Andrey Seliverstov; Johannes Forster; Magdalena Heiland; Johannes Unfried; Carsten Streb","The anion-binding polyanion: a molecular cobalt vanadium oxide with anion-sensitive visual response","Chem.Commun.","2014","50","","7840","","10.1039/C4CC03827D","","","0.71073","MoKα","","0.0539","0.0455","","","0.1101","0.114","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115282","24.15","0.0004","23.6855","0.0004","23.9678","0.0004","90","","93.9267","0.0014","90","","13677.5","0.4","180","0.14","180","0.14","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C55 H113 Co N3 O14 V4 -","- C55 H113 Co N3 O14 V4 -","- C440 H904 Co8 N24 O112 V32 -","8","2","","Andrey Seliverstov; Johannes Forster; Magdalena Heiland; Johannes Unfried; Carsten Streb","The anion-binding polyanion: a molecular cobalt vanadium oxide with anion-sensitive visual response","Chem.Commun.","2014","50","","7840","","10.1039/C4CC03827D","","x-ray","0.71073","MoKα","","0.0633","0.0436","","","0.0926","0.1036","","","","","","1.021","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115284","10.364","0.002","18.028","0.002","33.59","0.003","90.01","0.02","90.01","0.02","93.4","0.02","6265","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H45 Na O3 -","- C37 H45 Na O3 -","- C296 H360 Na8 O24 -","8","4","","Jan Klett","Monometalated tribenzotriquinacene: exo and endo coordination of sodium and potassium with a rigid bowl-shaped hydrocarbon anion","Chem.Commun.","2014","50","","7929","","10.1039/C4CC01428F","","","1.54188","CuKα","","0.0312","0.0305","","","0.083","0.0838","","","","","","1.037","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115285","16.783","0.002","12.416","0.002","15.368","0.002","90","","102.75","0.02","90","","3123.4","0.8","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C37 H45 K O3 -","- C37 H45 K O3 -","- C148 H180 K4 O12 -","4","1","","Jan Klett","Monometalated tribenzotriquinacene: exo and endo coordination of sodium and potassium with a rigid bowl-shaped hydrocarbon anion","Chem.Commun.","2014","50","","7929","","10.1039/C4CC01428F","","","1.54188","CuKα","","0.0202","0.0201","","","0.0485","0.0486","","","","","","1.02","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115288","8.1122","0.0004","11.4867","0.0006","18.796","0.0009","95.057","0.002","98.939","0.002","108.631","0.002","1621.66","0.14","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H30 Cl4 F6 N4 O6 S2 Si -","- C20 H30 Cl4 F6 N4 O6 S2 Si -","- C40 H60 Cl8 F12 N8 O12 S4 Si2 -","2","1","","Alasdair P. M. Robertson; Jordan N. Friedmann; Hilary A. Jenkins; Neil Burford","Exploring structural trends for complexes of Me2E(OSO2CF3)2 (E = Si, Ge, Sn) with pyridine derivatives","Chem.Commun.","2014","50","","7979","","10.1039/C4CC01109K","","","1.54178","CuKα","","0.0636","0.0571","","","0.1757","0.1836","","","","","","1.451","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115289","14.1596","0.0018","22.794","0.003","7.3679","0.0009","90","","118.801","0.002","90","","2083.9","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C14 H14 F6 N2 O6 S2 Si -","- C14 H14 F6 N2 O6 S2 Si -","- C56 H56 F24 N8 O24 S8 Si4 -","4","1","","Alasdair P. M. Robertson; Jordan N. Friedmann; Hilary A. Jenkins; Neil Burford","Exploring structural trends for complexes of Me2E(OSO2CF3)2 (E = Si, Ge, Sn) with pyridine derivatives","Chem.Commun.","2014","50","","7979","","10.1039/C4CC01109K","","","0.71073","MoKα","","0.038","0.031","","","0.0759","0.0783","","","","","","1.134","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115290","10.6701","0.0013","11.5348","0.0014","23.336","0.003","90","","93.922","0.002","90","","2865.4","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 F6 Ge N5 O6 S2 -","- C20 H26 F6 Ge N5 O6 S2 -","- C80 H104 F24 Ge4 N20 O24 S8 -","4","1","","Alasdair P. M. Robertson; Jordan N. Friedmann; Hilary A. Jenkins; Neil Burford","Exploring structural trends for complexes of Me2E(OSO2CF3)2 (E = Si, Ge, Sn) with pyridine derivatives","Chem.Commun.","2014","50","","7979","","10.1039/C4CC01109K","","","0.71073","MoKα","","0.0584","0.037","","","0.0962","0.1061","","","","","","0.97","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115291","7.7487","0.0002","11.1678","0.0003","12.422","0.0003","110.419","0.001","95.688","0.001","95.436","0.001","992.76","0.04","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H14 F6 Ge N2 O6 S2 -","- C14 H14 F6 Ge N2 O6 S2 -","- C28 H28 F12 Ge2 N4 O12 S4 -","2","1","","Alasdair P. M. Robertson; Jordan N. Friedmann; Hilary A. Jenkins; Neil Burford","Exploring structural trends for complexes of Me2E(OSO2CF3)2 (E = Si, Ge, Sn) with pyridine derivatives","Chem.Commun.","2014","50","","7979","","10.1039/C4CC01109K","","","0.71073","MoKα","","0.029","0.0255","","","0.0708","0.0725","","","","","","1.032","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115292","9.4758","0.0005","13.6913","0.0006","21.1332","0.0012","90","","100.452","0.002","90","","2696.2","0.2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 F6 N4 O6 S2 Sn -","- C18 H26 F6 N4 O6 S2 Sn -","- C72 H104 F24 N16 O24 S8 Sn4 -","4","0.5","","Alasdair P. M. Robertson; Jordan N. Friedmann; Hilary A. Jenkins; Neil Burford","Exploring structural trends for complexes of Me2E(OSO2CF3)2 (E = Si, Ge, Sn) with pyridine derivatives","Chem.Commun.","2014","50","","7979","","10.1039/C4CC01109K","","","0.71073","MoKα","","0.0359","0.0251","","","0.0553","0.057","","","","","","1.04","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115293","10.623","0.003","15.281","0.004","13.418","0.003","90","","113.235","0.004","90","","2001.5","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 F6 N2 O6 S2 Sn -","- C14 H14 F6 N2 O6 S2 Sn -","- C56 H56 F24 N8 O24 S8 Sn4 -","4","1","","Alasdair P. M. Robertson; Jordan N. Friedmann; Hilary A. Jenkins; Neil Burford","Exploring structural trends for complexes of Me2E(OSO2CF3)2 (E = Si, Ge, Sn) with pyridine derivatives","Chem.Commun.","2014","50","","7979","","10.1039/C4CC01109K","","","0.71073","MoKα","","0.0285","0.0207","","","0.0503","0.0514","","","","","","1.042","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115294","7.9717","0.0007","11.1704","0.0009","14.2796","0.001","90","","90","","90","","1271.56","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Xusheng Zhang; Min Wang; Pinhua Li; Lei Wang","n-Bu4NI/TBHP-catalyzed direct amination of allylic and benzylic C(sp3)-H with anilines under metal-free conditions","Chem.Commun.","2014","50","","8006","","10.1039/C4CC01189A","","","0.71073","MoKα","","0.0784","0.0609","","","0.142","0.1525","","","","","","1.156","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7115295","15.794","0.003","10.62","0.002","17.36","0.004","90","","102.863","0.004","90","","2838.8","1","200.1","","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Fe N O -","- C17 H15 Fe N O -","- C136 H120 Fe8 N8 O8 -","8","1","","Masahiro Kamitani; Masaki Ito; Masumi Itazaki; Hiroshi Nakazawa","Effective dehydrogenation of 2-pyridylmethanol derivatives catalyzed by an iron complex","Chem.Commun.","2014","50","","7941","","10.1039/C4CC01498G","","","0.7107","MoKα","","","0.0379","","","","0.0837","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115296","11.9764","0.0003","19.8384","0.0005","12.5324","0.0003","90","","112.803","0.002","90","","2744.88","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1","","- C35 H31 N7 -","- C35 H27 N7 -","- C140 H108 N28 -","4","1","","Rampal Pandey; Gabor Mehes; Amit Kumar; Rakesh Kumar Gupta; Chihaya Adachic; Daya Shankar Pandey","Structural and mechanistic insights into an Fe3±triggered quinazoline based molecular rotor","Chem.Commun.","2014","50","","8032","","10.1039/C4CC01917B","","","0.71073","MoKα","","0.1102","0.0765","","","0.2273","0.2549","","","","","","1.016","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115297","15.7933","0.0007","11.5458","0.0004","17.1322","0.0007","90","","99.286","0.004","90","","3083.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1'","","- C35 H27 Cl2 N7 O2 -","- C35 H33 Cl2 N7 O2 -","- C140 H132 Cl8 N28 O8 -","4","0.5","","Rampal Pandey; Gabor Mehes; Amit Kumar; Rakesh Kumar Gupta; Chihaya Adachic; Daya Shankar Pandey","Structural and mechanistic insights into an Fe3±triggered quinazoline based molecular rotor","Chem.Commun.","2014","50","","8032","","10.1039/C4CC01917B","","","1.54184","CuKα","","0.0514","0.045","","","0.124","0.1303","","","","","","1.023","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115298","6.8611","0.0003","12.8045","0.0006","18.2363","0.0008","90","","91.863","0.003","90","","1601.27","0.12","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 -","- C20 H16 N4 -","- C80 H64 N16 -","4","1","","Rampal Pandey; Gabor Mehes; Amit Kumar; Rakesh Kumar Gupta; Chihaya Adachic; Daya Shankar Pandey","Structural and mechanistic insights into an Fe3±triggered quinazoline based molecular rotor","Chem.Commun.","2014","50","","8032","","10.1039/C4CC01917B","","","0.71073","MoKα","","0.0855","0.0518","","","0.1363","0.1572","","","","","","1.03","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115299","9.1332","0.0015","11.8576","0.0018","13.566","0.002","84.777","0.012","83.98","0.013","72.609","0.012","1391.5","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","5,15-Diazatetrabenzo-10,20-bis(3,5-tert-butylphenyl)-porhyrin","","- C62 H60 N6 -","- C62 H60 N6 -","- C62 H60 N6 -","1","0.5","","D. S. Andrianov; V. B. Rybakov; A. V. Cheprakov","Between porphyrins and phthalocyanines: 10,20-diaryl-5,15-tetrabenzodiazaporphyrins","Chem.Commun.","2014","50","","7953","","10.1039/C4CC02405B","","","1.54186","CuKα","","0.0876","0.0537","","","0.1146","0.1269","","","","","","0.864","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115300","15.0617","0.0006","15.8532","0.0005","20.3366","0.0006","86.099","0.003","78.81","0.003","67.459","0.004","4399.6","0.3","143","0.1","143","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C71 H88 N6 O15 -","- C71 H88 N6 O15 -","- C142 H176 N12 O30 -","2","1","","Jinchuan Hu; Long Chen; Jie Shen; Jian Luo; Pengchi Deng; Yi Ren; Huaqiang Zeng; Wen Feng; Lihua Yuan","Convergent heteroditopic cyclo[6]aramides as macrocyclic ion-pair receptors for constructing [2]pseudorotaxanes","Chem.Commun.","2014","50","","8024","","10.1039/C4CC02557A","","","0.7107","MoKα","","0.1306","0.0848","","","0.2359","0.2638","","","","","","0.946","","","","has coordinates,has disorder","180267","2020-10-21","18:00:00",""
"7115301","15.3283","0.0004","24.6571","0.0004","23.0091","0.0005","90","","107.044","0.002","90","","8314.4","0.3","143","0.1","143","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H114 Cl5 N7 O16 -","- C81 H114 Cl5 N7 O16 -","- C324 H456 Cl20 N28 O64 -","4","1","","Jinchuan Hu; Long Chen; Jie Shen; Jian Luo; Pengchi Deng; Yi Ren; Huaqiang Zeng; Wen Feng; Lihua Yuan","Convergent heteroditopic cyclo[6]aramides as macrocyclic ion-pair receptors for constructing [2]pseudorotaxanes","Chem.Commun.","2014","50","","8024","","10.1039/C4CC02557A","","","0.7107","MoKα","","0.0905","0.0672","","","0.1722","0.1869","","","","","","1.067","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115302","12.9911","0.0009","10.5635","0.0005","12.5742","0.0008","90","","105.22","0.006","90","","1665.05","0.18","294.73","0.1","294.73","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 O6 -","- C17 H24 O6 -","- C68 H96 O24 -","4","1","","Lu-Feng Wang; Zi-Fa Shi; Xiao-Ping Cao; Bao-Sheng Li; Peng An","Construction of fused- and spiro-oxa-[n.2.1] skeletons by a tandem epoxide rearrangement/intramolecular [3+2] cycloaddition of cyclopropanes with carbonyls","Chem.Commun.","2014","50","","8061","","10.1039/C4CC02641A","","","0.7107","MoKα","","0.0713","0.0518","","","0.1287","0.1437","","","","","","1.067","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115303","10.9441","0.0005","13.9862","0.0007","11.3875","0.0005","90","","99.729","0.005","90","","1717.97","0.14","295.71","0.1","295.71","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 O7 -","- C17 H24 O7 -","- C68 H96 O28 -","4","1","","Lu-Feng Wang; Zi-Fa Shi; Xiao-Ping Cao; Bao-Sheng Li; Peng An","Construction of fused- and spiro-oxa-[n.2.1] skeletons by a tandem epoxide rearrangement/intramolecular [3+2] cycloaddition of cyclopropanes with carbonyls","Chem.Commun.","2014","50","","8061","","10.1039/C4CC02641A","","","0.7107","MoKα","","0.0941","0.057","","","0.1162","0.1462","","","","","","1.094","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115304","15.6872","0.0018","19.328","0.002","8.3731","0.0009","90","","95.034","0.002","90","","2528.9","0.5","132","2","132","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cl N2 O3 -","- C26 H34 Cl N2 O3 -","- C104 H136 Cl4 N8 O12 -","4","1","","Feng Lin; Tian-Guang Zhan; Tian-You Zhou; Kang-Da Zhang; Guang-Yu Li; Jian Wu; Xin Zhao","The construction of rigid supramolecular polymers in water through the self-assembly of rod-like monomers and cucurbit[8]uril","Chem.Commun.","2014","50","","7982","","10.1039/C4CC02971B","","","0.71073","MoKα","","0.0534","0.0379","","","0.0921","0.1011","","","","","","1.023","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115305","10.1668","0.0004","11.5055","0.0004","20.4107","0.0008","87","0.002","75.864","0.002","65.519","0.002","2103.85","0.14","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C35.5 H56.5 Cl1.5 N6 O9 -","- C35.5 H56.5 Cl1.5 N6 O9 -","- C71 H113 Cl3 N12 O18 -","2","2","","Bryden A. F.; Le Bailly; Jonathan Clayden","Controlling the sign and magnitude of screw-sense preference from the C-terminus of an achiral helical foldamer","Chem.Commun.","2014","50","","7949","","10.1039/C4CC03261F","","","1.54178","CuKα","","0.0484","0.0454","","","0.1163","0.1194","","","","","","1.031","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7115306","11.369","0.002","13.198","0.002","13.395","0.002","102.149","0.005","103.237","0.005","90.795","0.003","1908.6","0.5","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H27 B F K O3.5 -","- C17 H27 B F K O3.5 -","- C68 H108 B4 F4 K4 O14 -","4","2","","Yusuke Makida; Enrico Marelli; Alexandra M. Z. Slawin; Steven P. Nolan","Nickel-catalysed carboxylation of organoboronates","Chem.Commun.","2014","50","","8010","","10.1039/C4CC03650F","","","0.71075","MoKα","","","0.0421","","","","0.114","","","","","","0.926","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7115307","9.9322","0.0004","8.985","0.0003","43.0557","0.0019","90","","91.32","0.004","90","","3841.3","0.3","180","2","180.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 -","- C26 H28 -","- C208 H224 -","8","2","","Hang Zhang; Bo Wang; Kang Wang; Guojun Xie; Changkun Li; Yan Zhang; Jianbo Wang","Pd-Catalyzed ring-opening cross-coupling of cyclopropenes with aryl iodides","Chem.Commun.","2014","50","","8050","","10.1039/C4cc03651D","","","0.71073","MoKα","","0.0681","0.0513","","","0.1123","0.121","","","","","","1.063","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115308","11.0511","0.0018","14.426","0.002","22.603","0.004","90","","90","","90","","3603.4","1","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H39 N O4 -","- C48 H39 N O4 -","- C192 H156 N4 O16 -","4","1","","Jun Zheng; Shu-Li You","Rhodium-catalyzed direct coupling of biaryl pyridine derivatives with internal alkynes","Chem.Commun.","2014","50","","8204","","10.1039/C4cc02822H","","","0.71073","MoKα","","0.1024","0.0544","","","0.1027","0.1184","","","","","","0.975","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115309","8.7922","0.0009","9.5339","0.001","21.234","0.002","96.76","0.002","99.441","0.003","90.583","0.002","1742.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H32 Cl N -","- C47 H32 Cl N -","- C94 H64 Cl2 N2 -","2","1","","Jun Zheng; Shu-Li You","Rhodium-catalyzed direct coupling of biaryl pyridine derivatives with internal alkynes","Chem.Commun.","2014","50","","8204","","10.1039/C4cc02822H","","","0.71073","MoKα","","0.0842","0.0511","","","0.1238","0.1402","","","","","","1.037","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115310","11.8172","0.0004","19.4061","0.0007","24.4379","0.0008","90","","99.239","0.003","90","","5531.5","0.3","150","0.2","150","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H66 N3 O S2 U -","- C57 H66 N3 O S2 U -","- C228 H264 N12 O4 S8 U4 -","4","1","","John J. Kiernicki; Phillip E. Fanwick; Suzanne C. Bart","Utility of a redox-active pyridine(diimine) chelate in facilitating two electron oxidative addition chemistry at uranium","Chem.Commun.","2014","50","","8189","","10.1039/C4cc03355H","","","1.54184","CU-Kα","","0.069","0.065","","","0.186","0.194","","","","","","1.097","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7115311","8.2201","0.0001","24.8482","0.0005","20.3997","0.0005","90","","92.708","0.001","90","","4162.08","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H56 Cl2 N3 O U -","- C45 H56 Cl2 N3 O U -","- C180 H224 Cl8 N12 O4 U4 -","4","1","","John J. Kiernicki; Phillip E. Fanwick; Suzanne C. Bart","Utility of a redox-active pyridine(diimine) chelate in facilitating two electron oxidative addition chemistry at uranium","Chem.Commun.","2014","50","","8189","","10.1039/C4cc03355H","","","0.71073","MoKα","","0.0814","0.0383","","","0.0829","0.099","","","","","","0.959","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115312","42.342","0.002","8.3362","0.0004","24.4297","0.0012","90","","101.179","0.004","90","","8459.4","0.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H51 Cl N3 O0.12 Se U -","- C48.5 H54 Cl N3 O0.5 Se U -","- C388 H432 Cl8 N24 O4 Se8 U8 -","8","1","","John J. Kiernicki; Phillip E. Fanwick; Suzanne C. Bart","Utility of a redox-active pyridine(diimine) chelate in facilitating two electron oxidative addition chemistry at uranium","Chem.Commun.","2014","50","","8189","","10.1039/C4cc03355H","","","1.54178","CuKα","","0.0697","0.0475","","","0.0942","0.1038","","","","","","1.064","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115313","11.7186","0.0002","26.9121","0.0004","17.5708","0.0003","90","","100.642","0.001","90","","5446.03","0.16","150","0.02","150","0.02","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H72 N3 O2 Se2 U -","- C61 H72 N3 O2 Se2 U -","- C244 H288 N12 O8 Se8 U4 -","4","1","","John J. Kiernicki; Phillip E. Fanwick; Suzanne C. Bart","Utility of a redox-active pyridine(diimine) chelate in facilitating two electron oxidative addition chemistry at uranium","Chem.Commun.","2014","50","","8189","","10.1039/C4cc03355H","","","0.71073","MO-Kα","","0.085","0.037","","","0.064","0.073","","","","","","0.915","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7115314","11.7036","0.0005","11.7036","0.0005","13.5561","0.0008","90","","90","","120","","1608.07","0.14","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C4.5 H5 B0.5 N3 Pu0.17 -","- C4.5 H5 B0.5 N3 Pu0.166667 -","- C54 H60 B6 N36 Pu2 -","12","1","","N. Magnani; E. Colineau; J.-C. Griveau; C. Apostolidis; O. Walter; R. Caciuffo","A plutonium-ased single-molecule magnet","Chem.Commun.","2014","50","","8171","","10.1039/C4cc03400G","","","0.71073","MoKα","","0.0178","0.0149","","","0.0311","0.0318","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115315","17.8044","0.0001","8.4388","0.0001","17.835","0.0001","90","","100.799","0.0003","90","","2632.21","0.04","103","2","103","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C24 H40 Al2 Br2 -","- C24 H40 Al2 Br2 -","- C96 H160 Al8 Br8 -","4","1","","Tatsuya Wasano; Tomohiro Agou; Takahiro Sasamori; Norihiro Tokitoh","Synthesis, structure and reactivity of a 1-bromoalumole","Chem.Commun.","2014","50","","8148","","10.1039/C4cc03470H","","","0.85","Synchrotron","","0.0497","0.0489","","","0.1323","0.1333","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7115316","11.08","0.0008","16.589","0.0012","12.2139","0.0009","90","","97.377","0.001","90","","2226.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H38 B9 N4 Ta -","- C12 H38 B9 N4 Ta -","- C48 H152 B36 N16 Ta4 -","4","1","","Li Xiang; Zuowei Xie","Conversion of (eta^5^-C2B9H10R)TaX3 (X = Me, NMe2) to (eta^6^-C2B9H10R)TaX' (X' = NMe2, azaallyl) in the absence of a reducing agent: synthesis and structure of tantallacarboranes incorporating an arachno-eta^6^-C2B9^4-^ ligand","Chem.Commun.","2014","50","","8249","","10.1039/C4cc03981E","","","0.71073","MoKα","","0.0263","0.0211","","","0.0517","0.0574","","","","","","1.049","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115317","10.076","0.003","22.404","0.005","11.47","0.003","90","","90.44","0.005","90","","2589.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H37 B9 N3 Ta -","- C19 H37 B9 N3 Ta -","- C76 H148 B36 N12 Ta4 -","4","1","","Li Xiang; Zuowei Xie","Conversion of (eta^5^-C2B9H10R)TaX3 (X = Me, NMe2) to (eta^6^-C2B9H10R)TaX' (X' = NMe2, azaallyl) in the absence of a reducing agent: synthesis and structure of tantallacarboranes incorporating an arachno-eta^6^-C2B9^4-^ ligand","Chem.Commun.","2014","50","","8249","","10.1039/C4cc03981E","","","0.71073","MoKα","","0.0581","0.0446","","","0.1083","0.12","","","","","","1.031","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115318","9.5075","0.0006","14.0259","0.001","21.3447","0.0015","90","","96.654","0.001","90","","2827.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H41 B9 N O2 Ta -","- C19 H41 B9 N O2 Ta -","- C76 H164 B36 N4 O8 Ta4 -","4","1","","Li Xiang; Zuowei Xie","Conversion of (eta^5^-C2B9H10R)TaX3 (X = Me, NMe2) to (eta^6^-C2B9H10R)TaX' (X' = NMe2, azaallyl) in the absence of a reducing agent: synthesis and structure of tantallacarboranes incorporating an arachno-eta^6^-C2B9^4-^ ligand","Chem.Commun.","2014","50","","8249","","10.1039/C4cc03981E","","","0.71073","MoKα","","0.0899","0.0836","","","0.2058","0.2134","","","","","","1.012","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115319","12.6814","0.0012","13.1877","0.0013","16.1788","0.0016","90","","90","","90","","2705.7","0.5","213","1","213","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H17 B O2 Se -","- C12 H17 B O2 Se -","- C96 H136 B8 O16 Se8 -","8","1","","Xavier Sanz; Christopher M. Vogels; Andreas Decken; Carles Bo; Stephen A. Westcott; Elena Fernandez","Face to face activation of a phenylselenium borane with alpha,beta-unsaturated carbonyl substrates: facile synthesis of C-Se bonds","Chem.Commun.","2014","50","","8420","","10.1039/C4cc02098G","","x-ray","0.71073","MoKα","","0.063","0.0331","","","0.0712","0.084","","","","","","1.027","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115320","11.167","0.0016","22.145","0.003","16.594","0.002","90","","108.31","0.002","90","","3895.8","0.9","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H72 N4 O18 Zn3 -","- C76 H72 N4 O18 Zn3 -","- C152 H144 N8 O36 Zn6 -","2","1","","Takayoshi Arai; Noriyuki Sugiyama; Hyuma Masu; Sayaka Kado; Shinnosuke Yabe; Masahiro Yamanaka","A trinuclear Zn3(OAc)4-3,3'-bis(aminoimino)binaphthoxide complex for highly efficient catalytic asymmetric iodolactonization","Chem.Commun.","2014","50","","8287","","10.1039/C4cc02415J","","","0.71073","MoKα","","0.0552","0.0464","","","0.1093","0.1139","","","","","","1.042","","","","has coordinates,has disorder","180267","2020-10-21","18:00:00",""
"7115321","5.207","0.003","8.066","0.005","30.666","0.019","84.437","0.005","89.103","0.005","86.149","0.005","1278.9","1.3","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C38 H80 Br N4 O15 Pd S2 -","- C38 H78 Br N4 O15 Pd S2 -","- C38 H78 Br N4 O15 Pd S2 -","1","1","","Shohei Kumagai; Shinya Takaishi; Brian K. Breedlove; Hiroshi Okamoto; Hisaaki Tanaka; Shin-ichi Kuroda; Masahiro Yamashita","Bromide-bridged palladium(III) chain complexes showing charge bistability near room temperature","Chem.Commun.","2014","50","","8382","","10.1039/C4cc02547D","","","0.71073","MoKα","","0.056","0.0498","","","0.1233","0.1269","","","","","","0.999","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115322","9.9921","0.0007","8.095","0.0006","10.5243","0.0009","90","","107.49","0.002","90","","811.91","0.11","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","","P.-F. Koh; P. Wang; J.-M. Huang; T.-P. Loh","Biomass derived furfural-based facile synthesis of protected (2S)-phenyl-3-piperidone, a common intermediate for many drugs","Chem.Commun.","2014","50","","8324","","10.1039/C4cc02645D","","","0.71073","MoKα","","0.0369","0.0342","","","0.0824","0.0855","","","","","","1.063","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115323","12.6844","0.001","13.0079","0.0009","13.5817","0.001","83.347","0.003","80.714","0.002","83.78","0.002","2187.5","0.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 F3 N O4 -","- C23 H26 F3 N O4 -","- C92 H104 F12 N4 O16 -","4","2","","P.-F. Koh; P. Wang; J.-M. Huang; T.-P. Loh","Biomass derived furfural-based facile synthesis of protected (2S)-phenyl-3-piperidone, a common intermediate for many drugs","Chem.Commun.","2014","50","","8324","","10.1039/C4cc02645D","","","0.71073","MoKα","","0.0857","0.0515","","","0.1386","0.171","","","","","","1.031","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115324","8.3044","0.0014","10.7213","0.0019","17.956","0.003","90","","91.819","0.005","90","","1597.9","0.5","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","","P.-F. Koh; P. Wang; J.-M. Huang; T.-P. Loh","Biomass derived furfural-based facile synthesis of protected (2S)-phenyl-3-piperidone, a common intermediate for many drugs","Chem.Commun.","2014","50","","8324","","10.1039/C4cc02645D","","","0.71073","MoKα","","0.0967","0.061","","","0.1512","0.1963","","","","","","1.024","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115325","10.5854","0.0006","16.1439","0.0009","11.1053","0.0006","90","","113.485","0.001","90","","1740.58","0.17","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","P.-F. Koh; P. Wang; J.-M. Huang; T.-P. Loh","Biomass derived furfural-based facile synthesis of protected (2S)-phenyl-3-piperidone, a common intermediate for many drugs","Chem.Commun.","2014","50","","8324","","10.1039/C4cc02645D","","","0.71073","MoKα","","0.0439","0.0368","","","0.0958","0.1004","","","","","","1.044","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115326","9.789","0.003","9.327","0.003","11.044","0.003","90","","114.811","0.007","90","","915.3","0.5","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C42 H46 N2 O6 S2 -","2","1","","P.-F. Koh; P. Wang; J.-M. Huang; T.-P. Loh","Biomass derived furfural-based facile synthesis of protected (2S)-phenyl-3-piperidone, a common intermediate for many drugs","Chem.Commun.","2014","50","","8324","","10.1039/C4cc02645D","","","0.71073","MoKα","","0.0757","0.0583","","","0.1394","0.1581","","","","","","1.066","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115327","15.736","0.0017","16.7879","0.0018","18.23","0.002","65.078","0.002","83.173","0.002","68.357","0.002","4055.7","0.8","123","2","123","2","","","","","","","","9","P -1","-P 1","2","","","","- C163 H140 Dy F3 Ir6 N18 O29 P6 S -","- C163 H140 Dy F3 Ir6 N18 O29 P6 S -","- C163 H140 Dy F3 Ir6 N18 O29 P6 S -","1","0.5","","Dai Zeng; Min Ren; Song-Song Bao; Li Li; Li-Min Zheng","A luminescent heptanuclear DyIr6 complex showing field-induced slow magnetization relaxation","Chem.Commun.","2014","50","","8356","","10.1039/C4cc02951h","","","0.71073","MoKα","","0.1305","0.0707","","","0.1644","0.1917","","","","","","1.03","","","","has coordinates,has disorder","180267","2020-10-21","18:00:00",""
"7115328","6.5188","0.0013","6.6901","0.0013","16.077","0.003","93.17","0.03","91.18","0.03","98.9","0.03","691.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O -","- C17 H21 N O -","- C34 H42 N2 O2 -","2","1","","Yang Gao; Yubing Huang; Wanqing Wu; Kefan Huang; Huanfeng Jiang","Pd-Catalyzed C-H activation/oxidative cyclization of acetanilide with norbornene: concise access to functionalized indolines","Chem.Commun.","2014","50","","8370","","10.1039/C4cc03062A","","","0.71073","MoKα","","0.0836","0.0517","","","0.1584","0.1946","","","","","","1.032","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115329","10.6599","0.0009","12.5644","0.001","15.3343","0.0012","90","","108.876","0.003","90","","1943.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H72 N4 O4 Zn2 -","- C36 H72 N4 O4 Zn2 -","- C72 H144 N8 O8 Zn4 -","2","0.5","","Phillip Jochmann; Douglas W. Stephan","The synthesis and structure of [Zn(TEMPO)2]2 and [Zn(mu-H)(mu^2^-mu^1^:mu^1^-TEMPO)]6","Chem.Commun.","2014","50","","8395","","10.1039/C4cc03256J","","","0.71073","MoKα","","0.0611","0.0389","","","0.0836","0.0909","","","","","","1.072","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115330","19.8098","0.0006","19.8098","0.0006","14.692","0.0005","90","","90","","120","","4993.1","0.3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7.5 H15 N0.75 O0.75 Zn0.75 -","- C7.5 H15 N0.75 O0.75 Zn0.75 -","- C180 H360 N18 O18 Zn18 -","24","1.33333","","Phillip Jochmann; Douglas W. Stephan","The synthesis and structure of [Zn(TEMPO)2]2 and [Zn(mu-H)(mu^2^-mu^1^:mu^1^-TEMPO)]6","Chem.Commun.","2014","50","","8395","","10.1039/C4cc03256J","","","0.71073","MoKα","","0.0313","0.0288","","","0.0768","0.0778","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115331","14.043","0.002","12.4823","0.0015","12.349","0.002","90","","111.89","0.008","90","","2008.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N6 O8 Zn -","- C14 H18 N6 O8 Zn -","- C56 H72 N24 O32 Zn4 -","4","0.5","","Yuehong Wen; Tianlu Sheng; Zhihao Sun; Zhenzhen Xue; Yanlong Wang; Yong Wang; Shengmin Hu; Xiao Ma; Xintao Wu","A combination of the 'pillaring' strategy and chiral induction: an approach to prepare homochiral three-dimensional coordination polymers from achiral precursors","Chem.Commun.","2014","50","","8320","","10.1039/C4cc03478C","","","0.71073","MoKα","","0.0697","0.0606","","","0.1615","0.1705","","","","","","1.056","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115332","13.901","0.007","12.713","0.006","7.07","0.003","90","","91.139","0.009","90","","1249.2","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H26 Mo N4 O8 Zn -","- C14 H18 Mo N4 O8 Zn -","- C28 H36 Mo2 N8 O16 Zn2 -","2","0.5","","Yuehong Wen; Tianlu Sheng; Zhihao Sun; Zhenzhen Xue; Yanlong Wang; Yong Wang; Shengmin Hu; Xiao Ma; Xintao Wu","A combination of the 'pillaring' strategy and chiral induction: an approach to prepare homochiral three-dimensional coordination polymers from achiral precursors","Chem.Commun.","2014","50","","8320","","10.1039/C4cc03478C","","","0.71073","MoKα","","0.0463","0.0402","","","0.0942","0.0966","","","","","","0.973","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115333","13.971","0.019","12.841","0.019","7.137","0.011","90","","90.74","0.05","90","","1280","3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H30 Mo N4 O10 Zn -","- C14 H18 Mo N4 O10 Zn -","- C28 H36 Mo2 N8 O20 Zn2 -","2","0.5","","Yuehong Wen; Tianlu Sheng; Zhihao Sun; Zhenzhen Xue; Yanlong Wang; Yong Wang; Shengmin Hu; Xiao Ma; Xintao Wu","A combination of the 'pillaring' strategy and chiral induction: an approach to prepare homochiral three-dimensional coordination polymers from achiral precursors","Chem.Commun.","2014","50","","8320","","10.1039/C4cc03478C","","","0.71073","MoKα","","0.0991","0.0761","","","0.1776","0.2024","","","","","","0.972","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115334","13.783","0.009","12.697","0.009","6.743","0.005","90","","90.759","0.014","90","","1179.9","1.4","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H32 N4 O11 S Zn -","- C14 H18 N4 O11 S Zn -","- C28 H36 N8 O22 S2 Zn2 -","2","0.5","","Yuehong Wen; Tianlu Sheng; Zhihao Sun; Zhenzhen Xue; Yanlong Wang; Yong Wang; Shengmin Hu; Xiao Ma; Xintao Wu","A combination of the 'pillaring' strategy and chiral induction: an approach to prepare homochiral three-dimensional coordination polymers from achiral precursors","Chem.Commun.","2014","50","","8320","","10.1039/C4cc03478C","","","0.71073","MoKα","","0.0717","0.0606","","","0.1449","0.1534","","","","","","1.065","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115335","13.85","0.03","12.77","0.02","6.939","0.014","90","","91.45","0.03","90","","1227","4","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H30 Cr N4 O10 Zn -","- C14 H18 Cr N4 O10 Zn -","- C28 H36 Cr2 N8 O20 Zn2 -","2","0.5","","Yuehong Wen; Tianlu Sheng; Zhihao Sun; Zhenzhen Xue; Yanlong Wang; Yong Wang; Shengmin Hu; Xiao Ma; Xintao Wu","A combination of the 'pillaring' strategy and chiral induction: an approach to prepare homochiral three-dimensional coordination polymers from achiral precursors","Chem.Commun.","2014","50","","8320","","10.1039/C4cc03478C","","","0.71073","MoKα","","0.0731","0.0614","","","0.1492","0.1571","","","","","","1.002","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115336","9.9886","0.0002","13.324","0.0003","16.9907","0.0004","91.846","0.002","100.777","0.002","102.672","0.002","2160.93","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","thia-meso-anthriporphyrin","5,20-diphenyl-10,15-ditolyl-24-thia-9,10-anthriporphyrin","","- C57 H40 Cl2 N2 S -","- C57 H40 Cl2 N2 S -","- C114 H80 Cl4 N4 S2 -","2","1","","Young Mo Sung; Bartosz Szyszko; Radomir Mysliborski; Marcin Stepien; Juwon Oh; Minjung Son; Lechoslaw Latos-Grazynski; Dongho Kim","The effect of pi-conjugation in the macrocyclic ring on the photophysical properties of a series of thiaaceneporphyrinoids","Chem.Commun.","2014","50","","8367","","10.1039/C4cc03855J","","x-ray","1.54178","CuKα","","0.0733","0.0657","","","0.1764","0.1934","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7115337","15.054","0.003","16.56","0.003","15.22","0.003","90","","96.87","0.03","90","","3767","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","thia-m-benzi","6,21-diphenyl-11,16-di-p-tolil-24-thia-m-benziporphyrin","","- C49 H36 Cl2 N2 S -","- C49 H36 Cl2 N2 S -","- C196 H144 Cl8 N8 S4 -","4","1","","Young Mo Sung; Bartosz Szyszko; Radomir Mysliborski; Marcin Stepien; Juwon Oh; Minjung Son; Lechoslaw Latos-Grazynski; Dongho Kim","The effect of pi-conjugation in the macrocyclic ring on the photophysical properties of a series of thiaaceneporphyrinoids","Chem.Commun.","2014","50","","8367","","10.1039/C4cc03855J","","","0.71073","MoKα","","0.1284","0.0723","","","0.1552","0.1851","","","","","","1.007","","","","has coordinates,has disorder","180267","2020-10-21","18:00:00",""
"7115338","8.0734","0.0005","17.0233","0.001","15.3571","0.0009","90","","96.854","0.001","90","","2095.5","0.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 I N2 O4 S -","- C20 H21 I N2 O4 S -","- C80 H84 I4 N8 O16 S4 -","4","1","","Manjusha V. Karkhelikar; Rajeev R. Jha; B. Sridhar; Pravin R. Likhar; Akhilesh K. Verma","An expedient approach to pyrrolo[3,2-c]quinolines via regioselective formation of the pyrrole nucleus over indoles","Chem.Commun.","2014","50","","8526","","10.1039/C4cc02466D","","","0.71073","MoKα","","0.0363","0.0341","","","0.083","0.0845","","","","","","1.047","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115339","17.5098","0.0018","8.4729","0.0009","18.956","0.002","90","","94.435","0.002","90","","2803.9","0.5","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Cl3 N2 O6 S -","- C25 H27 Cl3 N2 O6 S -","- C100 H108 Cl12 N8 O24 S4 -","4","1","","Manjusha V. Karkhelikar; Rajeev R. Jha; B. Sridhar; Pravin R. Likhar; Akhilesh K. Verma","An expedient approach to pyrrolo[3,2-c]quinolines via regioselective formation of the pyrrole nucleus over indoles","Chem.Commun.","2014","50","","8526","","10.1039/C4cc02466D","","","0.71073","MoKα","","0.0504","0.0448","","","0.12","0.1253","","","","","","1.037","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115340","25.754","0.002","6.0366","0.0005","23.164","0.002","90","","106.637","0.002","90","","3450.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 O3 -","- C23 H18 O3 -","- C184 H144 O24 -","8","2","","Hai Xiao Siyang; Xu Rui Wu; Xiao Yue Ji; Xin Yan Wu; Pei Nian Liu","A copper(II) perchlorate-promoted tandem reaction of internal alkynol and salicyl N-tosylhydrazone: direct access to isochromeno[3,4-b]chromene","Chem.Commun.","2014","50","","8514","","10.1039/C4cc02862G","","","0.71073","MoKα","","0.0815","0.0531","","","0.1464","0.1589","","","","","","1.057","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115341","14.997","0.003","14.997","0.003","52.244","0.016","90","","90","","120","","10176","4","113.15","","113.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50 H47.5 Co7 N2.5 O29 -","- C47.94 H6 Co7 O25.02 -","- C287.64 H36 Co42 O150.12 -","6","0.333333","","Ya-Min Li; Hui-Jie Lun; Chang-Yu Xiao; Yan-Qing Xu; Ling Wu; Jing-He Yang; Jing-Yang Niu; Sheng-Chang Xiang","A bilayer triangular lattice with crown-like Co7 spin cluster SBUs exhibiting high spin frustration","Chem.Commun.","2014","50","","8558","","10.1039/C4cc02910K","","","0.71073","MoKα","","0.0672","0.065","","","0.1912","0.1941","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115342","9.0514","0.0011","12.8065","0.0011","12.889","0.0015","98.181","0.001","107.151","0.001","103.624","0.001","1350.9","0.3","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H24 N4 -","- C36 H26 N4 -","- C72 H52 N8 -","2","1","","Hiroaki Yamashita; Jiro Abe","Pentaarylbiimidazole, PABI: an easily synthesized fast photochromic molecule with superior durability","Chem.Commun.","2014","50","","8468","","10.1039/C4cc03137G","","","0.71073","MoKα","","0.0721","0.0459","","","0.0617","0.066","","","","","","1.322","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115343","15.8279","0.0016","14.7391","0.0015","11.544","0.0012","90","","90","","90","","2693.1","0.5","90","0.2","90","0.2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C36 H24 N4 -","- C36 H24 N4 -","- C144 H96 N16 -","4","1","","Hiroaki Yamashita; Jiro Abe","Pentaarylbiimidazole, PABI: an easily synthesized fast photochromic molecule with superior durability","Chem.Commun.","2014","50","","8468","","10.1039/C4cc03137G","","","0.71073","MoKα","","0.0517","0.0396","","","0.0834","0.089","","","","","","1.034","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115344","9.7748","0.0016","18.042","0.004","24.277","0.005","90","","90","","90","","4281.4","1.5","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H31 B Cl N3 -","- C23 H31 B Cl N3 -","- C184 H248 B8 Cl8 N24 -","8","1","","Ying Kai Loh; Che Chang Chong; Rakesh Ganguly; Yongxin Li; Dragoslav Vidovic; Rei Kinjo","1,2,4,3-Triazaborole-based neutral oxoborane stabilized by a Lewis acid","Chem.Commun.","2014","50","","8561","","10.1039/C4cc03379E","","","0.71073","MoKα","","0.1027","0.0671","","","0.1731","0.203","","","","","","1.098","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115345","18.898","0.004","13.4431","0.0019","17.569","0.003","90","","100.681","0.005","90","","4386","1.3","103","2","103","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H32 B N3 O -","- C23 H32 B N3 O -","- C184 H256 B8 N24 O8 -","8","2","","Ying Kai Loh; Che Chang Chong; Rakesh Ganguly; Yongxin Li; Dragoslav Vidovic; Rei Kinjo","1,2,4,3-Triazaborole-based neutral oxoborane stabilized by a Lewis acid","Chem.Commun.","2014","50","","8561","","10.1039/C4cc03379E","","","0.71073","MoKα","","0.1562","0.0816","","","0.1613","0.227","","","","","","1.029","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115346","9.7657","0.0012","17.593","0.002","16.2032","0.0018","90","","106.333","0.003","90","","2671.5","0.5","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 Al B Cl3 N3 O -","- C23 H32 Al B Cl3 N3 O -","- C92 H128 Al4 B4 Cl12 N12 O4 -","4","1","","Ying Kai Loh; Che Chang Chong; Rakesh Ganguly; Yongxin Li; Dragoslav Vidovic; Rei Kinjo","1,2,4,3-Triazaborole-based neutral oxoborane stabilized by a Lewis acid","Chem.Commun.","2014","50","","8561","","10.1039/C4cc03379E","","","0.71073","MoKα","","0.1007","0.0631","","","0.1482","0.1666","","","","","","1.044","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115347","34.026","0.003","8.1856","0.0007","13.2003","0.0009","90","","94.279","0.007","90","","3666.3","0.5","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 N2 O5 -","- C21 H18 N2 O5 -","- C168 H144 N16 O40 -","8","1","","Shen Liu; Wenteng Chen; Jing Luo; Yongping Yu","[3+3] annulation of allylic phosphoryl-stabilized carbanions/phosphorus ylides and vinyl azides: a practice strategy for synthesis of polyfunctionalized anilines","Chem.Commun.","2014","50","","8539","","10.1039/C4cc03462G","","","0.71073","MoKα","","0.0709","0.0482","","","0.1178","0.1354","","","","","","1.029","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115349","10.0641","0.0001","11.7975","0.0002","26.192","0.0004","90","","90","","90","","3109.81","0.08","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N O3 P Pd -","- C37 H36 N O3 P Pd -","- C148 H144 N4 O12 P4 Pd4 -","4","1","","Renta Jonathan Chew; Kai Yuan Teo; Yinhua Huang; Bin-Bin Li; Yongxin Li; Sumod A. Pullarkat; Pak-Hing Leung","Enantioselective phospha-Michael addition of diarylphosphines to beta,gamma-unsaturated alpha-ketoesters and amides","Chem.Commun.","2014","50","","8768","","10.1039/C4cc01610F","","","0.71073","MoKα","","0.0278","0.026","","","0.0573","0.0583","","","","","","1.026","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115350","34.4472","0.0011","7.3598","0.0002","9.8621","0.0003","90","","98.492","0.002","90","","2472.87","0.13","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H12 O -","- C18 H12 O -","- C144 H96 O8 -","8","2","","Shinaj K. Rajagopal; Abbey M. Philip; Kalaivanan Nagarajan; Mahesh Hariharan","Progressive acylation of pyrene engineers solid state packing and colour via C-H...H-C, C-H...O and pi-pi interactions","Chem.Commun.","2014","50","","8644","","10.1039/C4cc01897D","","","0.71073","MoKα","","0.0489","0.0418","","","0.1111","0.1268","","","","","","1.053","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115351","7.3519","0.0003","16.6654","0.0009","11.3344","0.0005","90","","90","","90","","1388.72","0.11","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","","Shinaj K. Rajagopal; Abbey M. Philip; Kalaivanan Nagarajan; Mahesh Hariharan","Progressive acylation of pyrene engineers solid state packing and colour via C-H...H-C, C-H...O and pi-pi interactions","Chem.Commun.","2014","50","","8644","","10.1039/C4cc01897D","","","0.71073","MoKα","","0.0601","0.0427","","","0.1126","0.1277","","","","","","1.036","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115352","9.243","0.005","7.463","0.005","10.095","0.005","90","0.005","98.88","0.005","90","0.005","688","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C40 H28 O4 -","2","0.5","","Shinaj K. Rajagopal; Abbey M. Philip; Kalaivanan Nagarajan; Mahesh Hariharan","Progressive acylation of pyrene engineers solid state packing and colour via C-H...H-C, C-H...O and pi-pi interactions","Chem.Commun.","2014","50","","8644","","10.1039/C4cc01897D","","","0.71069","MoKα","","0.0562","0.0416","","","0.1148","0.1229","","","","","","1.069","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115353","8.1941","0.0003","23.0417","0.0009","7.402","0.0004","90","","93.824","0.003","90","","1394.43","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Shinaj K. Rajagopal; Abbey M. Philip; Kalaivanan Nagarajan; Mahesh Hariharan","Progressive acylation of pyrene engineers solid state packing and colour via C-H...H-C, C-H...O and pi-pi interactions","Chem.Commun.","2014","50","","8644","","10.1039/C4cc01897D","","","0.71073","MoKα","","0.1201","0.0764","","","0.1157","0.1318","","","","","","1.068","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115354","11.0402","0.0006","20.0564","0.0009","7.2682","0.0004","90","","96.682","0.003","90","","1598.44","0.14","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O3 -","- C22 H16 O3 -","- C88 H64 O12 -","4","1","","Shinaj K. Rajagopal; Abbey M. Philip; Kalaivanan Nagarajan; Mahesh Hariharan","Progressive acylation of pyrene engineers solid state packing and colour via C-H...H-C, C-H...O and pi-pi interactions","Chem.Commun.","2014","50","","8644","","10.1039/C4cc01897D","","","0.71073","MoKα","","0.1276","0.0612","","","0.1756","0.2316","","","","","","1.061","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115355","20.1864","0.0006","39.606","0.0017","7.0261","0.0002","90","","109.988","0.002","90","","5279","0.3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H18 O4 -","- C24 H18 O4.00017 -","- C288 H216 O48.002 -","12","3","","Shinaj K. Rajagopal; Abbey M. Philip; Kalaivanan Nagarajan; Mahesh Hariharan","Progressive acylation of pyrene engineers solid state packing and colour via C-H...H-C, C-H...O and pi-pi interactions","Chem.Commun.","2014","50","","8644","","10.1039/C4cc01897D","","","0.71073","MoKα","","0.1412","0.0893","","","0.2275","0.2631","","","","","","1.069","","","","has coordinates,has disorder","180267","2020-10-21","18:00:00",""
"7115356","20.7069","0.0006","9.4597","0.0003","28.7537","0.0009","90","","104.04","0.003","90","","5464","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27 H28 B Cu N6 -","- C27 H28 B Cu N6 -","- C216 H224 B8 Cu8 N48 -","8","1","","Tian Wen; De-Xiang Zhang; Hai-Xia Zhang; Hua-Bin Zhang; Jian Zhang; Dong-Sheng Li","Redox-active Cu(I) boron imidazolate framework for mechanochromic and catalytic applications","Chem.Commun.","2014","50","","8754","","10.1039/C4cc02057J","","","1.54184","CuKα","","0.0508","0.041","","","0.1031","0.1087","","","","","","1.037","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115357","7.5448","0.0008","9.2205","0.001","28.088","0.003","90","","90","","90","","1954","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N3 O -","- C24 H23 N3 O -","- C96 H92 N12 O4 -","4","1","","Lianke Wang; Yanfang Shen; Mingdi Yang; Xiuzhen Zhang; Weinan Xu; Qiuju Zhu; Jieying Wu; Yupeng Tian; Hongping Zhou","Novel highly emissive H-aggregates with aggregate fluorescence change in a phenylbenzoxazole-based system","Chem.Commun.","2014","50","","8723","","10.1039/C4cc02564D","","","0.71073","MoKα","","0.0386","0.0343","","","0.0935","0.0964","","","","","","1.013","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115358","26.467","0.005","4.692","0.005","12.387","0.005","90","0.005","101.332","0.005","90","0.005","1508.3","1.7","296","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","Lianke Wang; Yanfang Shen; Mingdi Yang; Xiuzhen Zhang; Weinan Xu; Qiuju Zhu; Jieying Wu; Yupeng Tian; Hongping Zhou","Novel highly emissive H-aggregates with aggregate fluorescence change in a phenylbenzoxazole-based system","Chem.Commun.","2014","50","","8723","","10.1039/C4cc02564D","","","0.71069","MoKα","","0.0722","0.0509","","","0.1506","0.17","","","","","","1.14","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115359","7.516","0.005","9.49","0.005","27.807","0.005","90","0.005","90","0.005","90","0.005","1983.4","1.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N3 O2 -","- C24 H23 N3 O2 -","- C96 H92 N12 O8 -","4","1","","Lianke Wang; Yanfang Shen; Mingdi Yang; Xiuzhen Zhang; Weinan Xu; Qiuju Zhu; Jieying Wu; Yupeng Tian; Hongping Zhou","Novel highly emissive H-aggregates with aggregate fluorescence change in a phenylbenzoxazole-based system","Chem.Commun.","2014","50","","8723","","10.1039/C4cc02564D","","","0.71069","MoKα","","0.0389","0.0339","","","0.0983","0.107","","","","","","0.856","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115360","8.422","0.0011","9.3646","0.0012","19.946","0.003","89.043","0.001","88.581","0.001","72.24","0.001","1497.6","0.4","140","1","140","1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H32 N2 Na2 O20 S2 U -","- C16 H12 N2 Na2 O20 S2 U -","- C32 H24 N4 Na4 O40 S4 U2 -","2","1","","C. A. Hawkins; C. G. Bustillos; R. Copping; B. L. Scott; I. May; M. Nilsson","Challenging conventional f-element separation chemistry - reversing uranyl(VI)/lanthanide(III) solvent extraction selectivity","Chem.Commun.","2014","50","","8670","","10.1039/C4cc03031A","","","0.71073","MoKα","","0.017","0.0166","","","0.057","0.0572","","","","","","1.753","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115361","37.9826","0.001","37.9826","0.001","37.9826","0.001","90","","90","","90","","54797","2","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C50 H36 Eu3 N4 O23 -","- C50 H36 Eu3 N4 O23 -","- C1200 H864 Eu72 N96 O552 -","24","0.5","","Bo Liu; Wei-Ping Wu; Lei Hou; Yao-Yu Wang","Four uncommon nanocage-based Ln-MOFs: highly selective luminescent sensing for Cu2+ ions and selective CO2 capture","Chem.Commun.","2014","50","","8731","","10.1039/C4cc03049D","","","0.71073","MoKα","","0.1384","0.1332","","","0.3266","0.33","","","","","","1.036","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115362","37.9569","0.0009","37.9569","0.0009","37.9569","0.0009","90","","90","","90","","54686","2","100","2","100","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C50 H36 Gd3 N4 O23 -","- C50 H36 Gd3 N4 O23 -","- C1200 H864 Gd72 N96 O552 -","24","0.5","","Bo Liu; Wei-Ping Wu; Lei Hou; Yao-Yu Wang","Four uncommon nanocage-based Ln-MOFs: highly selective luminescent sensing for Cu2+ ions and selective CO2 capture","Chem.Commun.","2014","50","","8731","","10.1039/C4cc03049D","","","0.71073","MoKα","","0.1377","0.1306","","","0.4069","0.4149","","","","","","1.947","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115363","24.428","0.004","12.34","0.002","22.946","0.004","90","","113.081","0.003","90","","6363.2","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29.5 H29 N O5.5 S2 -","- C29.5 H29 N O5.5 S2 -","- C236 H232 N8 O44 S16 -","8","1","","Xiao Liu; Lingjuan Zhang; Xianxiu Xu; Shan Wang; Ling Pan; Qian Zhang; Qun Liu","Aerobic copper-catalyzed oxidative [6C+1C] annulation: an efficient route to seven-membered carbocycles","Chem.Commun.","2014","50","","8764","","10.1039/C4cc03095H","","","0.71073","MoKα","","0.1413","0.1031","","","0.2751","0.3031","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115364","48.787","0.005","11.8679","0.0007","9.6762","0.0006","90","","90","","90","","5602.5","0.7","293","2","293.15","","","","","","","","","6","P 21 2 21","P 2ac 2ac","18","","","","- C26.5 H26 Br Cl N2 O5 -","- C26.5 H26 Br Cl N2 O5 -","- C212 H208 Br8 Cl8 N16 O40 -","8","2","","Haifeng Zheng; Peng He; Yangbin Liu; Yulong Zhang; Xiaohua Liu; Lili Lin; Xiaoming Feng","Efficient synthesis of carbazolespirooxindole skeletons via asymmetric Diels-Alder reaction of 3-vinylindoles and methyleneindolinones","Chem.Commun.","2014","50","","8794","","10.1039/C4cc03135K","","","0.7107","MoKα","","0.1796","0.1069","","","0.2378","0.2797","","","","","","0.953","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7115365","14.4","0.003","37.7","0.008","27.2","0.005","90","","100","0.03","90","","14542","5","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C97 H97 Fe2 N8 O12 Zn2 -","- C97 H97 Fe2 N8 O12 Zn2 -","- C388 H388 Fe8 N32 O48 Zn8 -","4","1","","Zhiwei Yang; Chengfeng Zhu; Zijian Li; Yan Liu; Guohua Liu; Yong Cui","Engineering chiral Fe(salen)-based metal-organic frameworks for asymmetric sulfide oxidation","Chem.Commun.","2014","50","","8775","","10.1039/C4cc03308F","","","0.71073","MoKα","","0.0953","0.0721","","","0.1819","0.1945","","","","","","1.067","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115366","19.2468","0.0005","54.9054","0.0013","64.1439","0.0016","90","","90","","90","","67784","3","296","2","296","2","","","","","","","","6","F 2 2 2","F 2 2","22","","","","- C104 H100 Cd2 Fe2 N8 O13 -","- C104 H100 Cd2 Fe2 N8 O13 -","- C1664 H1600 Cd32 Fe32 N128 O208 -","16","1","","Zhiwei Yang; Chengfeng Zhu; Zijian Li; Yan Liu; Guohua Liu; Yong Cui","Engineering chiral Fe(salen)-based metal-organic frameworks for asymmetric sulfide oxidation","Chem.Commun.","2014","50","","8775","","10.1039/C4cc03308F","","","1.54178","CuKα","","0.0884","0.0766","","","0.2456","0.2593","","","","","","1.055","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115367","16.8803","0.0005","16.8803","0.0005","16.8803","0.0005","90","","90","","90","","4809.9","0.2","110","2","110","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C57.5 H91 Cu4 N4 Zn4 -","- C57.488 H90.984 Cu4 N4 Zn4 -","- C114.976 H181.968 Cu8 N8 Zn8 -","2","0.0416667","","Kerstin Freitag; Hung Banh; Christian Gemel; Rudiger W. Seidel; Samia Kahlal; Jean-Yves Saillard; Roland A. Fischer","Molecular brass: Cu4Zn4, a ligand protected superatom cluster","Chem.Commun.","2014","50","","8681","","10.1039/C4cc03401E","","","0.71073","MoKα","","0.1838","0.0678","","","0.1626","0.2042","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115368","8.5557","0.0002","14.0932","0.0005","16.307","0.0004","77.134","0.003","81.935","0.002","80.958","0.002","1881.71","0.1","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H31 N3 O4 -","- C16 H31 N3 O4 -","- C64 H124 N12 O16 -","4","4","","Nicola H. Powell; Guy J. Clarkson; Rebecca Notman; Piotr Raubo; Nathaniel G. Martin; Michael Shipman","Synthesis and structure of oxetane containing tripeptide motifs","Chem.Commun.","2014","50","","8797","","10.1039/C4cc03507K","","x-ray","1.54184","CuKα","","0.0697","0.0644","","","0.176","0.1836","","","","","","1.086","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115369","8.4127","0.0004","9.5002","0.0005","13.3202","0.0008","96.096","0.005","104.312","0.005","90.121","0.004","1025.26","0.1","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C19.1 H29.4 N3 O4.1 -","- C19.1 H29 N3 O4.1 -","- C38.2 H58 N6 O8.2 -","2","2","","Nicola H. Powell; Guy J. Clarkson; Rebecca Notman; Piotr Raubo; Nathaniel G. Martin; Michael Shipman","Synthesis and structure of oxetane containing tripeptide motifs","Chem.Commun.","2014","50","","8797","","10.1039/C4cc03507K","","x-ray","1.54184","CuKα","","0.0616","0.0506","","","0.1283","0.1426","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115370","11.8882","0.0003","23.2366","0.0005","15.133","0.0003","90","","95.97","","90","","4157.69","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Ir(C29H35N3)NIr(C29H35N3)][BC24H20]","[Ir(tBuN3Me4)NIr(tBuN3Me4)][BPh4]","","- C89 H105 B Ir2 N7 O -","- C89 H105 B Ir2 N7 O -","- C178 H210 B2 Ir4 N14 O2 -","2","1","","Friedrich Angersbach-Bludau; Christopher Schulz; Julia Schoffel; Peter Burger","Syntheses and electronic structures of mu-nitrido bridged pyridine, diimine iridium complexes","Chem.Commun.","2014","50","","8735","","10.1039/C4cc03624G","","","0.71073","MoKα","","0.057","0.0423","","","0.0873","0.098","","","","","","1.062","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7115371","23.7205","0.0006","15.3311","0.0004","16.5083","0.0004","90","","122.479","0.001","90","","5064.4","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H60.5 F3 Ir2 N7 O3.75 S -","- C54 H60.5 F3 Ir2 N7 O3.75 S -","- C216 H242 F12 Ir8 N28 O15 S4 -","4","0.5","","Friedrich Angersbach-Bludau; Christopher Schulz; Julia Schoffel; Peter Burger","Syntheses and electronic structures of mu-nitrido bridged pyridine, diimine iridium complexes","Chem.Commun.","2014","50","","8735","","10.1039/C4cc03624G","","","0.71073","MoKα","","0.0342","0.0243","","","0.0569","0.0638","","","","","","1.116","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115372","10.6929","0.0001","26.4273","0.0002","16.8108","0.0001","90","","94.351","0.001","90","","4736.78","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ir(C25H27N3)N3Ir(C25H27N3)]CF3SO3*C7H8","[Ir(Me4N3)NIr(Me4N3)]OTf","","- C54 H62 Ir2 N7 Na O -","- C54 H62 Ir2 N7 Na O -","- C216 H248 Ir8 N28 Na4 O4 -","4","1","","Friedrich Angersbach-Bludau; Christopher Schulz; Julia Schoffel; Peter Burger","Syntheses and electronic structures of mu-nitrido bridged pyridine, diimine iridium complexes","Chem.Commun.","2014","50","","8735","","10.1039/C4cc03624G","","","0.71073","MoKα","","0.0296","0.022","","","0.0455","0.0489","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115373","18.049","0.003","15.45","0.003","20.89","0.004","90","","97.103","0.003","90","","5780.6","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 F3 Ir2 N9 O3 S -","- C58 H62 F3 Ir2 N9 O3 S -","- C232 H248 F12 Ir8 N36 O12 S4 -","4","1","","Friedrich Angersbach-Bludau; Christopher Schulz; Julia Schoffel; Peter Burger","Syntheses and electronic structures of mu-nitrido bridged pyridine, diimine iridium complexes","Chem.Commun.","2014","50","","8735","","10.1039/C4cc03624G","","","0.71073","MoKα","","0.1024","0.0521","","","0.085","0.0959","","","","","","0.877","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115374","41.923","0.005","11.1","0.005","19.335","0.005","90","0.005","90","0.005","90","0.005","8997","5","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","DTDA","","","- C26 H22 N2.5 O2 -","- C26 H22 N2.5 O2 -","- C416 H352 N40 O32 -","16","1","","K. C. Gowri Sreedevi; Ajesh P. Thomas; K. H. Aparna; Renuka Pradhan; M. L. P. Reddy; U. Lourderaj; A. Srinivasan","Photoenolization via excited state double proton transfer induces 'turn on' fluorescence in diformyl diaryl dipyrromethane","Chem.Commun.","2014","50","","8667","","10.1039/C4cc03668A","","","0.71073","MoKα","","0.0509","0.0421","","","0.1137","0.1207","","","","","","1.053","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7115375","33.493","0.005","53.707","0.008","22.036","0.003","90","","90","","90","","39639","10","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C63 H69 In3 N9 O30.5 -","- C46 H18 In3 O22.5 -","- C736 H288 In48 O360 -","16","1","","Dongmei Wang; Tingting Zhao; Yu Cao; Shuo Yao; Guanghua Li; Qisheng Huo; Yunling Liu","High performance gas adsorption and separation of natural gas in two microporous metal-organic frameworks with ternary building units","Chem.Commun.","2014","50","","8648","","10.1039/C4cc03729D","","","0.71073","MoKα","","0.0737","0.0603","","","0.1676","0.1742","","","","","","1.089","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115376","29.372","0.006","15.784","0.003","19.14","0.004","90","","107.16","0.03","90","","8478","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H43 N3 O24 Zn5 -","- C48 H18 O24 Zn5 -","- C192 H72 O96 Zn20 -","4","0.5","","Dongmei Wang; Tingting Zhao; Yu Cao; Shuo Yao; Guanghua Li; Qisheng Huo; Yunling Liu","High performance gas adsorption and separation of natural gas in two microporous metal-organic frameworks with ternary building units","Chem.Commun.","2014","50","","8648","","10.1039/C4cc03729D","","","0.71073","MoKα","","0.0952","0.0715","","","0.2301","0.2436","","","","","","1.089","","","","has coordinates,has disorder","180267","2020-10-21","18:00:00",""
"7115377","10.4687","0.0008","12.697","0.001","11.0554","0.0008","90","","115.122","0.001","90","","1330.49","0.18","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Ag2 N5 O4 -","- C10 H11 Ag2 N5 O4 -","- C40 H44 Ag8 N20 O16 -","4","1","","Ji Zheng; Ya-Dong Yu; Fang-Fang Liu; Bao-Yu Liu; Gang Wei; Xiao-Chun Huang","Modulation of argentophilic interactions by bridging amine ligands: photoluminescence tuneable by excitation energy or temperature","Chem.Commun.","2014","50","","9000","","10.1039/C4cc01523A","","","0.71073","MoKα","","0.0359","0.0327","","","0.0822","0.0843","","","","","","1.107","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115378","10.4635","0.0004","12.5188","0.0003","11.0115","0.0004","90","","115.202","0.004","90","","1305.1","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Ag2 N5 O4 -","- C10 H11 Ag2 N5 O4 -","- C40 H44 Ag8 N20 O16 -","4","1","","Ji Zheng; Ya-Dong Yu; Fang-Fang Liu; Bao-Yu Liu; Gang Wei; Xiao-Chun Huang","Modulation of argentophilic interactions by bridging amine ligands: photoluminescence tuneable by excitation energy or temperature","Chem.Commun.","2014","50","","9000","","10.1039/C4cc01523A","","","0.71073","MoKα","","0.0354","0.0326","","","0.1278","0.1312","","","","","","1.089","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115379","6.879","0.0008","11.7678","0.0014","17.321","0.002","90","","92.741","0.002","90","","1400.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Ag4 N10 O10 -","- C20 H26 Ag4 N10 O10 -","- C40 H52 Ag8 N20 O20 -","2","0.5","","Ji Zheng; Ya-Dong Yu; Fang-Fang Liu; Bao-Yu Liu; Gang Wei; Xiao-Chun Huang","Modulation of argentophilic interactions by bridging amine ligands: photoluminescence tuneable by excitation energy or temperature","Chem.Commun.","2014","50","","9000","","10.1039/C4cc01523A","","","0.71073","MoKα","","0.0358","0.0306","","","0.0801","0.0958","","","","","","1.003","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115380","6.7585","0.0002","11.7522","0.0005","17.2702","0.0006","90","","92.669","0.003","90","","1370.24","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Ag4 N10 O10 -","- C20 H26 Ag4 N10 O10 -","- C40 H52 Ag8 N20 O20 -","2","0.5","","Ji Zheng; Ya-Dong Yu; Fang-Fang Liu; Bao-Yu Liu; Gang Wei; Xiao-Chun Huang","Modulation of argentophilic interactions by bridging amine ligands: photoluminescence tuneable by excitation energy or temperature","Chem.Commun.","2014","50","","9000","","10.1039/C4cc01523A","","","0.71073","MoKα","","0.0369","0.0288","","","0.0602","0.0651","","","","","","1.003","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115381","8.9949","0.0004","14.1156","0.0006","11.5353","0.0006","90","","104.168","0.005","90","","1420.07","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Ag4 N10 O8 -","- C24 H26 Ag4 N10 O8 -","- C48 H52 Ag8 N20 O16 -","2","0.5","","Ji Zheng; Ya-Dong Yu; Fang-Fang Liu; Bao-Yu Liu; Gang Wei; Xiao-Chun Huang","Modulation of argentophilic interactions by bridging amine ligands: photoluminescence tuneable by excitation energy or temperature","Chem.Commun.","2014","50","","9000","","10.1039/C4cc01523A","","","0.71073","MoKα","","0.0614","0.0398","","","0.0835","0.0939","","","","","","1.018","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115382","14.2975","0.0006","11.9979","0.0006","19.3757","0.0007","90","","109.377","0.004","90","","3135.4","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Ag4 N10 O8 -","- C26 H30 Ag4 N10 O8 -","- C104 H120 Ag16 N40 O32 -","4","1","","Ji Zheng; Ya-Dong Yu; Fang-Fang Liu; Bao-Yu Liu; Gang Wei; Xiao-Chun Huang","Modulation of argentophilic interactions by bridging amine ligands: photoluminescence tuneable by excitation energy or temperature","Chem.Commun.","2014","50","","9000","","10.1039/C4cc01523A","","","0.71073","MoKα","","0.1256","0.0754","","","0.1903","0.2342","","","","","","0.999","","","","has coordinates,has disorder","180267","2020-10-21","18:00:00",""
"7115383","11.132","0.005","12.522","0.006","13.219","0.006","105.888","0.001","91.753","0.005","94.464","0.006","1764.3","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H35 Dy N4 O14 Zn -","- C32 H33 Dy N4 O14 Zn -","- C64 H66 Dy2 N8 O28 Zn2 -","2","1","","Apoorva Upadhyay; Saurabh Kumar Singh; Chinmoy Das; Ranajit Mondol; Stuart K. Langley; Keith S. Murray; Gopalan Rajaraman; Maheswaran Shanmugam","Enhancing the effective energy barrier of a Dy(III) SMM using a bridged diamagnetic Zn(II) ion","Chem.Commun.","2014","50","","8838","","10.1039/C4cc02094D","","","0.71075","MoKα","","0.0378","0.0355","","","0.0892","0.0908","","","","","","1.056","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115384","17.654","0.003","54.092","0.009","9.5502","0.0016","90","","90","","90","","9120","3","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H26 Dy N5 O13 -","- C28 H26 Dy N5 O13 -","- C336 H312 Dy12 N60 O156 -","12","","","Apoorva Upadhyay; Saurabh Kumar Singh; Chinmoy Das; Ranajit Mondol; Stuart K. Langley; Keith S. Murray; Gopalan Rajaraman; Maheswaran Shanmugam","Enhancing the effective energy barrier of a Dy(III) SMM using a bridged diamagnetic Zn(II) ion","Chem.Commun.","2014","50","","8838","","10.1039/C4cc02094D","","","0.71075","MoKα","","0.0628","0.0494","","","0.0941","0.1015","","","","","","1.067","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115385","8.7801","0.0005","8.7801","0.0005","43.327","0.002","90","","90","","120","","2892.6","0.3","173","2","173","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C12 H30 Na2 O Zn3 -","- C12 H30 Na2 O Zn3 -","- C72 H180 Na12 O6 Zn18 -","6","0.5","","L. Zane Miller; Michael Shatruka; D. Tyler McQuade","Alkali metal oxides trapped by diethylzinc","Chem.Commun.","2014","50","","8937","","10.1039/C4cc02929A","","","0.71073","MoKα","","0.0257","0.023","","","0.0514","0.0521","","","","","","1.153","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115386","9.0272","0.0018","9.0272","0.0018","14.145","0.003","90","","90","","90","","1152.7","0.4","173","2","173","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C16 H40 K2 O Zn4 -","- C16 H40 K2 O Zn4 -","- C32 H80 K4 O2 Zn8 -","2","","","L. Zane Miller; Michael Shatruka; D. Tyler McQuade","Alkali metal oxides trapped by diethylzinc","Chem.Commun.","2014","50","","8937","","10.1039/C4cc02929A","","","0.71073","MoKα","","0.0361","0.0185","","","0.038","0.043","","","","","","1.1","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115387","9.446","0.003","9.446","0.003","14.199","0.005","90","","90","","90","","1266.9","0.7","260","2","260","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C16 H40 O Rb2 Zn4 -","- C16 H40 O Rb2 Zn4 -","- C32 H80 O2 Rb4 Zn8 -","2","","","L. Zane Miller; Michael Shatruka; D. Tyler McQuade","Alkali metal oxides trapped by diethylzinc","Chem.Commun.","2014","50","","8937","","10.1039/C4cc02929A","","","0.71073","MoKα","","0.0956","0.0466","","","0.1055","0.1317","","","","","","1.008","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115388","7.949","0.0018","9.913","0.003","11.241","0.003","96.837","0.005","105.663","0.005","109.836","0.005","780.3","0.4","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","","Kazunari Nakajima; Mai Kitagawa; Yuya Ashida; Yoshihiro Miyake; Yoshiaki Nishibayashi","Synthesis of nitrogen heterocycles via alpha-aminoalkyl radicals generated from alpha-silyl secondary amines under visible light irradiation","Chem.Commun.","2014","50","","8900","","10.1039/C4cc03000A","","","0.71075","MoKα","","","0.0579","","","","0.1583","","","","","","0.914","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115389","15.8144","0.0016","19.0204","0.0017","7.3213","0.0009","90","","90","","90","","2202.2","0.4","210","2","210","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H15 F N O4 P W -","- C26 H15 F N O4 P W -","- C104 H60 F4 N4 O16 P4 W4 -","4","1","","Antonia Loibl; Iris de Krom; Evgeny A. Pidko; Manuela Weber; Jelena Wiecko; Christian Muller","Tuning the electronic effects of aromatic phosphorus heterocycles: an unprecedented phosphinine with significant P(pi)-donor properties","Chem.Commun.","2014","50","","8842","","10.1039/C4cc03469D","","","0.71073","MoKα","","0.1122","0.0545","","","0.1086","0.1268","","","","","","0.944","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115390","16.678","0.002","25.506","0.002","7.5764","0.0008","90","","90","","90","","3222.9","0.6","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C152 H112 N16 O24 -","8","1","","Fang-Le Hu; Yin Wei; Min Shi","Phosphine-catalyzed asymmetric [4+1] annulation of activated alpha,beta-unsaturated ketones with Morita-Baylis-Hillman carbonates: enantioselective synthesis of spirooxindoles containing two adjacent quaternary stereocenters","Chem.Commun.","2014","50","","8912","","10.1039/C4cc03479A","","","0.71073","MoKα","","0.0781","0.0513","","","0.1164","0.1322","","","","","","1.036","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115391","13.339","0.0014","15.3601","0.0016","30.918","0.003","90","","90","","90","","6334.7","1.1","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 Br Cl2 N3 O6 -","- C30 H22 Br Cl2 N3 O6 -","- C240 H176 Br8 Cl16 N24 O48 -","8","2","","Fang-Le Hu; Yin Wei; Min Shi","Phosphine-catalyzed asymmetric [4+1] annulation of activated alpha,beta-unsaturated ketones with Morita-Baylis-Hillman carbonates: enantioselective synthesis of spirooxindoles containing two adjacent quaternary stereocenters","Chem.Commun.","2014","50","","8912","","10.1039/C4cc03479A","","","0.71073","MoKα","","0.1212","0.0929","","","0.2276","0.2416","","","","","","1.042","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115392","8.1976","0.0005","12.7958","0.0007","11.9888","0.0006","90","","104.227","0.001","90","","1218.99","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N4 O2 -","- C13 H14 N4 O2 -","- C52 H56 N16 O8 -","4","2","","Estela Haldon; Eleuterio Alvarez; M. Carmen Nicasio; Pedro J. Perez","1,2,3-Triazoles from carbonyl azides and alkynes: filling the gap","Chem.Commun.","2014","50","","8978","","10.1039/C4cc03614J","","","0.71073","MoKα","","0.0332","0.0295","","","0.0727","0.0744","","","","","","1.06","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115393","28.3878","0.0014","5.0616","0.0003","18.7871","0.0012","90","","95.781","0.003","90","","2685.7","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 Br N4 O2 -","- C13 H13 Br N4 O2 -","- C104 H104 Br8 N32 O16 -","8","1","","Estela Haldon; Eleuterio Alvarez; M. Carmen Nicasio; Pedro J. Perez","1,2,3-Triazoles from carbonyl azides and alkynes: filling the gap","Chem.Commun.","2014","50","","8978","","10.1039/C4cc03614J","","","0.71073","MoKα","","0.042","0.0351","","","0.0905","0.0939","","","","","","1.007","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115394","5.2958","0.0003","11.8997","0.0006","18.8466","0.001","90","","93.808","0.002","90","","1185.06","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C44 H48 N16 O8 S4 -","4","1","","Estela Haldon; Eleuterio Alvarez; M. Carmen Nicasio; Pedro J. Perez","1,2,3-Triazoles from carbonyl azides and alkynes: filling the gap","Chem.Commun.","2014","50","","8978","","10.1039/C4cc03614J","","","0.71073","MoKα","","0.0469","0.0434","","","0.1159","0.1202","","","","","","1.045","","","","has coordinates,has disorder","180267","2020-10-21","18:00:00",""
"7115395","4.7202","0.0003","13.9971","0.0008","8.1756","0.0006","90","","92.621","0.002","90","","539.59","0.06","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H14 N4 O3 -","- C9 H14 N4 O3 -","- C18 H28 N8 O6 -","2","1","","Estela Haldon; Eleuterio Alvarez; M. Carmen Nicasio; Pedro J. Perez","1,2,3-Triazoles from carbonyl azides and alkynes: filling the gap","Chem.Commun.","2014","50","","8978","","10.1039/C4cc03614J","","","0.71073","MoKα","","0.0269","0.0257","","","0.0708","0.0717","","","","","","1.076","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115396","10.3254","0.0006","10.3246","0.0008","26.4259","0.0017","90","","90","","90","","2817.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 Br N2 O4 -","- C27 H21 Br N2 O4 -","- C108 H84 Br4 N8 O16 -","4","1","","Tai-Ping Gao; Jun-Bing Lin; Xiu-Qin Hu; Peng-Fei Xu","A catalytic asymmetric hetero-Diels-Alder reaction of olefinic azlactones and isatins: facile access to chiral spirooxindole dihydropyranones","Chem.Commun.","2014","50","","8934","","10.1039/C4cc03896G","","","0.71","MoKα","","0.1558","0.0668","","","0.1437","0.1732","","","","","","0.796","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115397","22.059","0.005","22.059","0.005","14.679","0.003","90","","90","","120","","6186","2","296","","296","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12.33333 H14.33333 Cl N2 O S -","- C12.3333 H14.3333 Cl N2 O S -","- C222 H258 Cl18 N36 O18 S18 -","18","1","","Hideo Ikota; Takayuki Ishida; Chihiro Tsukano; Yoshiji Takemoto","Synthesis of 3,3-disubstituted indoline-2-thiones catalysed by an N-heterocyclic carbene","Chem.Commun.","2014","50","","8871","","10.1039/C4cc04047C","","","0.71075","MoKα","","","0.0918","","","","0.2761","","","","","","1.049","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7115398","7.9645","0.001","10.138","0.006","6.1945","0.001","90","","90","","90","","500.2","0.3","293","","293","","","","83000","","","","","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0537","0.0451","","0.1042","0.0931","0.1042","","","","","","0.9518","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115399","8.0121","0.0013","9.646","0.006","6.2169","0.0015","90","","90","","90","","480.5","0.3","293","","293","","","","830000","","","","","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0711","0.0581","","0.1092","0.105","0.1092","","","","","","1.0434","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115400","8.0667","0.0005","9.7791","0.0006","6.2784","0.0004","90","","90","","90","","495.27","0.05","100","","293","","","","","","","","Sigma Aldrich and Alfa Aeser","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0241","0.0219","","0.0501","0.0488","0.0501","","","","","","0.9946","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115401","8.0636","0.0008","9.7766","0.0009","6.2791","0.0006","90","","90","","90","","495.01","0.08","100","","100","","","","","","","","Sigma Aldrich and Alfa Aeser","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0273","0.0256","","0.0532","0.0517","0.0532","","","","","","1.0113","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115402","8.047","0.005","9.871","0.005","6.261","0.005","90","","90","","90","","497.3","0.6","150","","150","","","","","","","","Sigma Aldrich and Alfa Aeser","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0314","0.0279","","0.061","0.0584","0.061","","","","","","1.0265","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115403","8.0584","0.0006","9.8752","0.0008","6.2692","0.0005","90","","90","","90","","498.89","0.07","150","","150","","","","","","","","Sigma Aldrich and Alfa Aeser","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0265","0.0229","","0.0459","0.0412","0.0454","","","","","","1.0363","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115404","8.026","0.0006","9.968","0.001","6.2459","0.0004","90","","90","","90","","499.69","0.07","200","","200","","","","","","","","Sigma Aldrich and Alfa Aeser","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0341","0.03","","0.0626","0.0602","0.0626","","","","","","1.0248","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115405","8.028","0.0006","9.9637","0.001","6.2461","0.0005","90","","90","","90","","499.62","0.07","200","","200","","","","","","","","Sigma Aldrich and Alfa Aeser","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0326","0.027","","0.054","0.054","0.0568","","","","","","1.0252","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115406","8.0174","0.0006","10.0853","0.0011","6.2353","0.0005","90","","90","","90","","504.17","0.08","250","","250","","","","","","","","Sigma Aldrich and Alfa Aeser","3","I m a 2","I 2 -2a","46","","","","- C4 Ag N3 -","- C4 Ag N3 -","- C16 Ag4 N12 -","4","0.5","","Hodgson, Sarah A.; Adamson, Jasper; Hunt, Sarah J.; Cliffe, Matthew J.; Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G.; Funnell, Nicholas P.; Goodwin, Andrew L.","Negative area compressibility in silver(I) tricyanomethanide.","Chemical communications (Cambridge, England)","2014","50","40","5264","5266","10.1039/c3cc47032f","","","0.71073","MoKα","","0.0411","0.0319","","0.0585","0.0552","0.0585","","","","","","1.0498","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115407","8.3942","0.0003","12.6829","0.0004","14.0136","0.0004","90","","95.074","0.003","90","","1486.08","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 B F2 N3 -","- C15 H18 B F2 N3 -","- C60 H72 B4 F8 N12 -","4","1","","Bhausaheb Dhokale; Thaksen Jadhav; Shaikh M. Mobin; Rajneesh Misra","Meso enamine substituted BODIPYs","Chem.Commun.","2014","50","","9119","","10.1039/C4cc03857F2","","","1.5418","CuKα","","0.0606","0.055","","","0.1567","0.1627","","","","","","1.044","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115408","9.2376","0.0016","14.714","0.0012","15.929","0.003","90","","127.73","0.03","90","","1712.4","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 B F2 N3 -","- C17 H22 B F2 N3 -","- C68 H88 B4 F8 N12 -","4","1","","Bhausaheb Dhokale; Thaksen Jadhav; Shaikh M. Mobin; Rajneesh Misra","Meso enamine substituted BODIPYs","Chem.Commun.","2014","50","","9119","","10.1039/C4cc03857F2","","","0.71073","MoKα","","0.0632","0.0515","","","0.1262","0.1352","","","","","","1.108","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115409","11.1777","0.0008","11.3773","0.0005","14.4649","0.0009","90","","109.83","0.008","90","","1730.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 B F2 N3 -","- C17 H22 B F2 N3 -","- C68 H88 B4 F8 N12 -","4","1","","Bhausaheb Dhokale; Thaksen Jadhav; Shaikh M. Mobin; Rajneesh Misra","Meso enamine substituted BODIPYs","Chem.Commun.","2014","50","","9119","","10.1039/C4cc03857F2","","","0.71073","MoKα","","0.0979","0.055","","","0.1179","0.1443","","","","","","1.02","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115410","7.8218","0.0004","23.1144","0.0009","8.5337","0.0004","90","","110.867","0.006","90","","1441.66","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 B F2 N3 -","- C16 H18 B F2 N3 -","- C64 H72 B4 F8 N12 -","4","1","","Bhausaheb Dhokale; Thaksen Jadhav; Shaikh M. Mobin; Rajneesh Misra","Meso enamine substituted BODIPYs","Chem.Commun.","2014","50","","9119","","10.1039/C4cc03857F2","","","0.71073","MoKα","","0.0445","0.0374","","","0.0857","0.0889","","","","","","1.127","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115411","8.9302","0.0002","16.065","0.0004","9.812","0.0003","90","","111.616","0.001","90","","1308.67","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H30 N2 O2 S2 -","- C31 H30 N2 O2 S2 -","- C62 H60 N4 O4 S4 -","2","1","","Pavol Ondrisek; Rino Schwenk; Jan Cvengros","Synthesis of enantiomerically pure Troger's base derivatives via chiral disulfoxides","Chem.Commun.","2014","50","","9168","","10.1039/C4cc03963G","","","0.71073","MoKα","","0.0446","0.0347","","","0.0693","0.0721","","","","","","1.003","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115412","12.4612","0.0001","9.1606","0.0001","13.5717","0.0002","90","","105.879","0.001","90","","1490.12","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H32 Cl2 N2 O2 S2 -","- C32 H32 Cl2 N2 O2 S2 -","- C64 H64 Cl4 N4 O4 S4 -","2","1","","Pavol Ondrisek; Rino Schwenk; Jan Cvengros","Synthesis of enantiomerically pure Troger's base derivatives via chiral disulfoxides","Chem.Commun.","2014","50","","9168","","10.1039/C4cc03963G","","","0.71073","MoKα","","0.0362","0.0323","","","0.0782","0.0806","","","","","","1.034","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115413","7.6662","0.0011","8.3832","0.0012","12.0468","0.0017","90","","96.193","0.002","90","","769.7","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 Br2 N2 -","- C17 H16 Br2 N2 -","- C34 H32 Br4 N4 -","2","1","","Pavol Ondrisek; Rino Schwenk; Jan Cvengros","Synthesis of enantiomerically pure Troger's base derivatives via chiral disulfoxides","Chem.Commun.","2014","50","","9168","","10.1039/C4cc03963G","","","0.71073","MoKα","","0.0569","0.0378","","","0.0578","0.0619","","","","","","0.823","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7115414","9.3","0.002","15.907","0.004","20.499","0.005","90.581","0.005","92.286","0.005","90.567","0.006","3029.8","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H69 Cu6 N15 O0 -","- C57 H69 Cu6 N15 -","- C114 H138 Cu12 N30 -","2","1","","Jun-Hao Wang; Mian Li; Ji Zheng; Xiao-Chun Huang; Dan Li","A dual-emitting Cu6-Cu2-Cu6 cluster as a self-calibrated, wide-range luminescent molecular thermometer","Chem.Commun.","2014","50","","9115","","10.1039/C4cc04100C","","","0.71073","MoKα","","0.1662","0.0625","","","0.1049","0.1476","","","","","","0.998","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115415","9.1825","0.0003","16.4791","0.0007","23.3979","0.0011","102.41","0.004","99.703","0.004","99.9","0.003","3327.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H69 Cu7 I N15 -","- C57 H69 Cu7 I N15 -","- C114 H138 Cu14 I2 N30 -","2","1","","Jun-Hao Wang; Mian Li; Ji Zheng; Xiao-Chun Huang; Dan Li","A dual-emitting Cu6-Cu2-Cu6 cluster as a self-calibrated, wide-range luminescent molecular thermometer","Chem.Commun.","2014","50","","9115","","10.1039/C4cc04100C","","","1.54184","CuKα","","0.0824","0.0527","","","0.1623","0.1834","","","","","","1.014","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115416","9.0947","0.0006","16.4229","0.0016","23.0642","0.0018","102.321","0.008","99.053","0.006","100.587","0.007","3238.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H69 Cu7 I N15 O0 -","- C57 H69 Cu7 I N15 -","- C114 H138 Cu14 I2 N30 -","2","1","","Jun-Hao Wang; Mian Li; Ji Zheng; Xiao-Chun Huang; Dan Li","A dual-emitting Cu6-Cu2-Cu6 cluster as a self-calibrated, wide-range luminescent molecular thermometer","Chem.Commun.","2014","50","","9115","","10.1039/C4cc04100C","","","0.71073","MoKα","","0.0603","0.0466","","","0.1674","0.1828","","","","","","1.067","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115417","16.35","0.003","7.8394","0.0015","15.389","0.003","90","","110.453","0.003","90","","1848.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cu2 I2 N2 -","- C14 H18 Cu2 I2 N2 -","- C56 H72 Cu8 I8 N8 -","4","1","","Jun-Hao Wang; Mian Li; Ji Zheng; Xiao-Chun Huang; Dan Li","A dual-emitting Cu6-Cu2-Cu6 cluster as a self-calibrated, wide-range luminescent molecular thermometer","Chem.Commun.","2014","50","","9115","","10.1039/C4cc04100C","","","0.71073","MoKα","","0.0594","0.0464","","","0.1058","0.1202","","","","","","1.137","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115418","9.0869","0.0003","16.4643","0.0006","23.4304","0.0008","102.936","0.003","100.45","0.003","99.938","0.003","3275.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H69 Cu7 I N15 -","- C57 H69 Cu7 I N15 -","- C114 H138 Cu14 I2 N30 -","2","1","","Jun-Hao Wang; Mian Li; Ji Zheng; Xiao-Chun Huang; Dan Li","A dual-emitting Cu6-Cu2-Cu6 cluster as a self-calibrated, wide-range luminescent molecular thermometer","Chem.Commun.","2014","50","","9115","","10.1039/C4cc04100C","","","1.54184","CuKα","","0.044","0.0337","","","0.0974","0.105","","","","","","1.022","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115419","12.0177","0.0003","6.57341","0.00014","15.9929","0.0005","90","","110.393","0.003","90","","1184.21","0.06","95","2","95","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H24 Br N O4 -","- C27 H24 Br N O4 -","- C54 H48 Br2 N2 O8 -","2","1","","Hong-Ping Deng; Lars Eriksson; Kalman J. Szabo","Allylic sp3 C-H borylation of alkenes via allyl-Pd intermediates: an efficient route to allylboronates","Chem.Commun.","2014","50","","9207","","10.1039/C4cc04151H","","","0.71073","MoKα","","0.0671","0.0514","","","0.0937","0.1006","","","","","","1.013","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115420","23.3014","0.0013","23.3014","0.0013","8.5463","0.0005","90","","90","","90","","4640.3","0.5","100","2","100","2","","","","","","","synthesis as described","3","I 41/a :2","-I 4ad","88","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C208 H288 O64 -","16","1","","Simanis, Justin A.; Law, C. Marshall; Woodall, Erica L.; Hamaker, Christopher G.; Goodell, John R.; Mitchell, T. Andrew","Investigation of oxidopyrylium-alkene [5+2] cycloaddition conjugate addition cascade (C^3^) sequences","Chemical Communications (Cambridge, United Kingdom)","2014","50","65","9130","9133","10.1039/c4cc04163a","","x-ray","0.71073","MoKα","","0.0391","0.0337","","","0.0854","0.0896","","","","","","1.042","","","","has coordinates","210848","2020-10-21","18:00:00",""
"7115421","7.1815","0.0002","8.0509","0.0002","15.957","0.0005","90","","90","","90","","922.59","0.04","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","Simanis/Mitchell bis-ether from hexanes evaporation","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Simanis, Justin A.; Law, C. Marshall; Woodall, Erica L.; Hamaker, Christopher G.; Goodell, John R.; Mitchell, T. Andrew","Investigation of oxidopyrylium-alkene [5+2] cycloaddition conjugate addition cascade (C^3^) sequences","Chemical Communications (Cambridge, United Kingdom)","2014","50","65","9130","9133","10.1039/c4cc04163a","","x-ray","0.71073","MoKα","","0.0307","0.0293","","","0.0738","0.0752","","","","","","1.056","","","","has coordinates","210848","2020-10-21","18:00:00",""
"7115422","11.8981","0.0003","9.1977","0.0002","8.6578","0.0002","90","","97.981","0.001","90","","938.29","0.04","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","Lactone 4D Simanis/Mitchell","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","Simanis, Justin A.; Law, C. Marshall; Woodall, Erica L.; Hamaker, Christopher G.; Goodell, John R.; Mitchell, T. Andrew","Investigation of oxidopyrylium-alkene [5+2] cycloaddition conjugate addition cascade (C^3^) sequences","Chemical Communications (Cambridge, United Kingdom)","2014","50","65","9130","9133","10.1039/c4cc04163a","","x-ray","0.71073","MoKα","","0.0347","0.0334","","","0.0836","0.0847","","","","","","1.054","","","","has coordinates","210848","2020-10-21","18:00:00",""
"7115423","16.831","0.004","8.317","0.0019","11.555","0.003","90","","100.853","0.004","90","","1588.6","0.7","100","2","100","2","","","","","","","synthesis as described","3","P 1 c 1","P -2yc","7","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","2","","Simanis, Justin A.; Law, C. Marshall; Woodall, Erica L.; Hamaker, Christopher G.; Goodell, John R.; Mitchell, T. Andrew","Investigation of oxidopyrylium-alkene [5+2] cycloaddition conjugate addition cascade (C^3^) sequences","Chemical Communications (Cambridge, United Kingdom)","2014","50","65","9130","9133","10.1039/c4cc04163a","","x-ray","0.71073","MoKα","","0.0339","0.028","","","0.0656","0.068","","","","","","1.033","","","","has coordinates","210848","2020-10-21","18:00:00",""
"7115424","9.8857","0.0003","7.1169","0.0002","10.7398","0.0004","90","","93.306","0.002","90","","754.35","0.04","100","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Simanis, Justin A.; Law, C. Marshall; Woodall, Erica L.; Hamaker, Christopher G.; Goodell, John R.; Mitchell, T. Andrew","Investigation of oxidopyrylium-alkene [5+2] cycloaddition conjugate addition cascade (C^3^) sequences","Chemical Communications (Cambridge, United Kingdom)","2014","50","65","9130","9133","10.1039/c4cc04163a","","x-ray","0.71073","MoKα","","0.0281","0.0274","","","0.0703","0.0709","","","","","","1.035","","","","has coordinates","210848","2020-10-21","18:00:00",""
"7115425","8.2563","0.0004","12.5278","0.0007","18.4201","0.001","90","","94.169","0.003","90","","1900.21","0.17","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O5 -","- C24 H22 O5 -","- C96 H88 O20 -","4","1","","Simanis, Justin A.; Law, C. Marshall; Woodall, Erica L.; Hamaker, Christopher G.; Goodell, John R.; Mitchell, T. Andrew","Investigation of oxidopyrylium-alkene [5+2] cycloaddition conjugate addition cascade (C^3^) sequences","Chemical Communications (Cambridge, United Kingdom)","2014","50","65","9130","9133","10.1039/c4cc04163a","","x-ray","0.71073","MoKα","","0.0433","0.0407","","","0.1062","0.1083","","","","","","1.056","","","","has coordinates","210848","2020-10-21","18:00:00",""
"7115426","7.512","0.003","16.751","0.006","26.703","0.01","90","","90","","90","","3360","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 F N2 O2 -","- C19 H17 F N2 O2 -","- C152 H136 F8 N16 O16 -","8","1","","Yuanyuan An; Danqing Zheng; Jie Wu","An unexpected copper(II)-catalyzed three-component reaction of quinazoline 3-oxide, alkylidenecyclopropane, and water","Chem.Commun.","2014","50","","9165","","10.1039/C4cc04341C","","","0.71073","MoKα","","0.1126","0.0482","","","0.0958","0.1118","","","","","","0.879","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115427","12.8539","0.0005","14.4578","0.0008","30.453","0.0017","90","","96.497","0.005","90","","5623","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N4 Ni4 O17 -","- C30 H30 N4 Ni4 O17 -","- C120 H120 N16 Ni16 O68 -","4","1","","Jia Li; Ying Guo; Hong-Ru Fu; Jian Zhang; Rong-Bin Huang; Lan-Sun Zheng; Jun Tao","A spin-canted NiII4-based metal-organic framework with gas sorption properties and high adsorptive selectivity for light hydrocarbons","Chem.Commun.","2014","50","","9161","","10.1039/C4cc02396J","","","0.71073","MoKα","","0.0659","0.046","","","0.1098","0.1183","","","","","","0.977","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115428","13.1943","0.0003","19.4817","0.0005","21.0895","0.0005","90","","105.218","0.001","90","","5230.9","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H56 Be N6 O44 W12 -","- C12 H48 Be N6 O44 W12 -","- C48 H192 Be4 N24 O176 W48 -","4","0.5","","Alexander V. Anyushin; Anton I. Smolentsev; Dmitry A. Mainichev; Cristian Vicent; Artem L. Gushchin; Maxim N. Sokolov; Vladimir P. Fedin","Synthesis and characterization of a new Keggin anion: [BeW12O40]^6-^","Chem.Commun.","2014","50","","9083","","10.1039/C4cc02456G","","","0.71073","MoKα","","0.0521","0.0405","","","0.0892","0.0923","","","","","","1.131","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115429","8.23","0.005","14.22","0.009","14.339","0.009","78.34","0.02","76.48","0.02","83.47","0.03","1594","1.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H48 N2 S4 -","- C76 H48 N2 S4 -","- C76 H48 N2 S4 -","1","0.5","","Harapriya Rath; Abhijit Mallick; Tubai Ghosh; Alok Kalita","Aromatic fused heterocyclic [22] macrocycles with NIR absorption","Chem.Commun.","2014","50","","9094","","10.1039/C4cc02749C","","","0.71075","MoKα","","0.1083","0.0843","","","0.1643","0.1759","","","","","","1.128","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115430","9.4281","0.0009","12.024","0.0011","21.1941","0.0014","75.876","0.007","86.942","0.007","74.587","0.008","2246","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C53 H36 N2 -","- C53 H36 N2 -","- C106 H72 N4 -","2","1","","Rajneesh Misra; Thaksen Jadhav; Bhausaheb Dhokale; Shaikh M. Mobin","Reversible mechanochromism and enhanced AIE in tetraphenylethene substituted phenanthroimidazoles","Chem.Commun.","2014","50","","9076","","10.1039/C4cc02824D","","","1.5418","CuKα","","0.1769","0.1049","","","0.3342","0.3809","","","","","","0.942","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115431","9.0367","0.0004","11.565","0.0008","38.221","0.002","90","","94.875","0.004","90","","3980","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C54 H35 N3 -","- C54 H35 N3 -","- C216 H140 N12 -","4","1","","Rajneesh Misra; Thaksen Jadhav; Bhausaheb Dhokale; Shaikh M. Mobin","Reversible mechanochromism and enhanced AIE in tetraphenylethene substituted phenanthroimidazoles","Chem.Commun.","2014","50","","9076","","10.1039/C4cc02824D","","","0.71073","MoKα","","0.1526","0.0652","","","0.1371","0.1803","","","","","","1.005","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115434","11.579","0.0006","16.538","0.0005","20.816","0.0008","104.53","0.003","105.96","0.004","102.44","0.002","3532.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H140 Mn24 Ni2 O84 -","- C68 H140 Mn24 Ni2 O84 -","- C68 H140 Mn24 Ni2 O84 -","1","0.5","","Maria Charalambous; Sotiris M. Zartilas; Eleni E. Moushi; Constantina Papatriantafyllopoulou; Manolis J. Manos; Theocharis C. Stamatatos; Shreya Mukherjee; Vassilios Nastopoulos; George Christou; Anastasios J. Tasiopoulos","Discrete and encapsulated molecular grids: homometallic Mn15 and heterometallic Mn24Ni2 aggregates","Chem.Commun.","2014","50","","9090","","10.1039/C4cc02893G","","","0.71073","MoKα","","0.0695","0.0555","","","0.1607","0.1746","","","","","","1.087","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115435","14.6777","0.0002","15.9353","0.0002","18.1069","0.0002","72.5265","0.0012","86.1971","0.0011","84.1738","0.0012","4015.93","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C121.2 H213.8 Mn15 N9.6 O50 -","- C121.2 H213.8 Mn15 N9.6 O50 -","- C121.2 H213.8 Mn15 N9.6 O50 -","1","0.5","","Maria Charalambous; Sotiris M. Zartilas; Eleni E. Moushi; Constantina Papatriantafyllopoulou; Manolis J. Manos; Theocharis C. Stamatatos; Shreya Mukherjee; Vassilios Nastopoulos; George Christou; Anastasios J. Tasiopoulos","Discrete and encapsulated molecular grids: homometallic Mn15 and heterometallic Mn24Ni2 aggregates","Chem.Commun.","2014","50","","9090","","10.1039/C4cc02893G","","","0.71073","MoKα","","0.1092","0.0486","","","0.1219","0.133","","","","","","0.917","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115436","7.7221","0.0012","9.0481","0.0013","13.843","0.002","80.021","0.002","85.86","0.002","73.874","0.002","914.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 Cl2 N2 O -","- C22 H12 Cl2 N2 O -","- C44 H24 Cl4 N4 O2 -","2","1","","Juanjuan Liu; Lanxiang Zhou; Weijian Ye; Cunde Wang","Formal [3+2] cycloaddition of 1-cyanocyclopropane 1-ester with pyridine, quinoline or isoquinoline: a general and efficient strategy for construction of cyanoindolizine skeletons","Chem.Commun.","2014","50","","9068","","10.1039/C4cc03267E","","","0.71073","MoKα","","0.0927","0.0761","","","0.2093","0.2228","","","","","","1.041","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115437","10.275","0.0012","11.4634","0.0014","18.344","0.002","90","","90","","90","","2160.7","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Br Cl N3 O -","- C24 H17 Br Cl N3 O -","- C96 H68 Br4 Cl4 N12 O4 -","4","1","","Juanjuan Liu; Lanxiang Zhou; Weijian Ye; Cunde Wang","Formal [3+2] cycloaddition of 1-cyanocyclopropane 1-ester with pyridine, quinoline or isoquinoline: a general and efficient strategy for construction of cyanoindolizine skeletons","Chem.Commun.","2014","50","","9068","","10.1039/C4cc03267E","","","0.71073","MoKα","","0.0943","0.0712","","","0.1905","0.2067","","","","","","1.076","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115438","10.4826","0.0016","10.6458","0.0017","10.96","0.0015","71.68","0.005","73.572","0.004","67.431","0.005","1053.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H17 Cl N2 O -","- C27 H17 Cl N2 O -","- C54 H34 Cl2 N4 O2 -","2","1","","Juanjuan Liu; Lanxiang Zhou; Weijian Ye; Cunde Wang","Formal [3+2] cycloaddition of 1-cyanocyclopropane 1-ester with pyridine, quinoline or isoquinoline: a general and efficient strategy for construction of cyanoindolizine skeletons","Chem.Commun.","2014","50","","9068","","10.1039/C4cc03267E","","","0.71073","MoKα","","0.1228","0.0546","","","0.1073","0.1281","","","","","","1.01","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115439","23.071","0.003","10.7768","0.0013","14.3886","0.0019","90","","102.951","0.004","90","","3486.5","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H13 Cl N2 O -","- C22 H13 Cl N2 O -","- C176 H104 Cl8 N16 O8 -","8","1","","Juanjuan Liu; Lanxiang Zhou; Weijian Ye; Cunde Wang","Formal [3+2] cycloaddition of 1-cyanocyclopropane 1-ester with pyridine, quinoline or isoquinoline: a general and efficient strategy for construction of cyanoindolizine skeletons","Chem.Commun.","2014","50","","9068","","10.1039/C4cc03267E","","","0.71073","MoKα","","0.14","0.0698","","","0.1838","0.2268","","","","","","1.033","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115440","7.7273","0.0016","8.9408","0.0018","14.824","0.003","76.526","0.006","80.859","0.006","70.826","0.006","936.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H12 Br Cl N2 O -","- C22 H12 Br Cl N2 O -","- C44 H24 Br2 Cl2 N4 O2 -","2","1","","Juanjuan Liu; Lanxiang Zhou; Weijian Ye; Cunde Wang","Formal [3+2] cycloaddition of 1-cyanocyclopropane 1-ester with pyridine, quinoline or isoquinoline: a general and efficient strategy for construction of cyanoindolizine skeletons","Chem.Commun.","2014","50","","9068","","10.1039/C4cc03267E","","","0.71073","MoKα","","0.1006","0.0618","","","0.1427","0.1671","","","","","","1.042","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115441","15.1477","0.0006","18.6492","0.0007","16.6712","0.0007","90","","111.408","0.0013","90","","4384.6","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H72 O P2 -","- C47 H72 O P2 -","- C188 H288 O4 P8 -","4","1","","Shigekazu Ito; Shunsuke Okabe; Yasuhiro Ueta; Koichi Mikami","Formation of phosphanoxy-substituted phosphaalkenes via sterically promoted cleavage of the P[double bond, length as m-dash]P diphosphene bond","Chem.Commun.","2014","50","","9204","","10.1039/C4cc03274H","","","0.71075","MoKα","","0.0544","0.0394","","","0.1164","0.1311","","","","","","0.937","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115442","15.29","0.003","18.205","0.004","36.041","0.007","90","","90","","90","","10032","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H120 Mn6 N2 O33 Sr2 -","- C70 H120 Mn6 N2 O33 Sr2 -","- C280 H480 Mn24 N8 O132 Sr8 -","4","1","","Changhui Chen; Chunxi Zhang; Hongxing Dong; Jingquan Zhao","A synthetic model for the oxygen-evolving complex in Sr2±containing photosystem II","Chem.Commun.","2014","50","","9263","","10.1039/C4cc02349H","","","0.71073","MoKα","","0.0947","0.0813","","","0.2047","0.2202","","","","","","1.078","","","","has coordinates,has disorder","180268","2020-10-21","18:00:00",""
"7115443","10.2677","0.00014","22.1493","0.0003","23.3892","0.0004","90","","90","","90","","5319.23","0.14","108.6","0.6","108.6","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13.846 H13.846 Cl3.692 N0.923 O3.692 -","- C13.8462 H13.8462 Cl3.69231 N0.923077 O3.69231 -","- C180 H180 Cl48 N12 O48 -","13","3.25","","Nan Ma; Yiwu Yao; Bing-Xin Zhao; Ying Wang; Wen-Cai Ye; Sheng Jiang","Total synthesis of securinega alkaloids (‒)-norsecurinine, (‒)-niruroidine and (‒)-flueggine A","Chem.Commun.","2014","50","","9284","","10.1039/C4cc02575J","","","1.5418","CuKα","","0.0408","0.0357","","","","0.0887","","","","","","1.0444","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115444","5.80812","0.00019","8.2156","0.0003","21.4801","0.0007","90","","90","","90","","1024.97","0.06","173.01","0.1","173.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Nan Ma; Yiwu Yao; Bing-Xin Zhao; Ying Wang; Wen-Cai Ye; Sheng Jiang","Total synthesis of securinega alkaloids (‒)-norsecurinine, (‒)-niruroidine and (‒)-flueggine A","Chem.Commun.","2014","50","","9284","","10.1039/C4cc02575J","","","1.5418","CuKα","","0.0316","0.0286","","","0.0672","0.0691","","","","","","1.107","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115445","9.794","0.005","11.579","0.005","12.366","0.006","72.176","0.009","86.868","0.009","76.456","0.009","1297.7","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 B F4 O2 P -","- C28 H24 B F4 O2 P -","- C56 H48 B2 F8 O4 P2 -","2","1","","Kyle D. Reichl; Alexander T. Radosevich","A phosphine-mediated stereocontrolled synthesis of Z-enediynes by a vicinal dialkynylation of ethynylphosphonium salts","Chem.Commun.","2014","50","","9302","","10.1039/C4cc03415E","","","0.71073","MoKα","","0.0574","0.05","","","0.143","0.1509","","","","","","1.031","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115446","20.732","0.003","19.775","0.003","13.7739","0.0019","90","","90","","90","","5647","1.4","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H26 B F4 P -","- C34 H26 B F4 P -","- C272 H208 B8 F32 P8 -","8","2","","Kyle D. Reichl; Alexander T. Radosevich","A phosphine-mediated stereocontrolled synthesis of Z-enediynes by a vicinal dialkynylation of ethynylphosphonium salts","Chem.Commun.","2014","50","","9302","","10.1039/C4cc03415E","","","0.71073","MoKα","","0.076","0.054","","","0.1252","0.1366","","","","","","1.019","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115447","17.56","0.03","17.03","0.03","5.895","0.01","90","","90","","90","","1763","5","298","2","298","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C24 H16 -","- C24 H16 -","- C96 H64 -","4","1","","Kyle D. Reichl; Alexander T. Radosevich","A phosphine-mediated stereocontrolled synthesis of Z-enediynes by a vicinal dialkynylation of ethynylphosphonium salts","Chem.Commun.","2014","50","","9302","","10.1039/C4cc03415E","","","0.71073","MoKα","","0.1694","0.0673","","","0.1723","0.2241","","","","","","0.982","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115448","18.887","0.006","14.683","0.004","7.344","0.002","90","","90","","90","","2036.6","1","298","2","298","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C27 H22 -","- C27 H22 -","- C108 H88 -","4","1","","Kyle D. Reichl; Alexander T. Radosevich","A phosphine-mediated stereocontrolled synthesis of Z-enediynes by a vicinal dialkynylation of ethynylphosphonium salts","Chem.Commun.","2014","50","","9302","","10.1039/C4cc03415E","","","0.71073","MoKα","","0.2507","0.1146","","","0.2053","0.2584","","","","","","1.048","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115449","10.743","0.006","10.216","0.005","26.175","0.016","90","","94.556","0.01","90","","2864","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 B F4 P -","- C34 H26 B F4 P -","- C136 H104 B4 F16 P4 -","4","1","","Kyle D. Reichl; Alexander T. Radosevich","A phosphine-mediated stereocontrolled synthesis of Z-enediynes by a vicinal dialkynylation of ethynylphosphonium salts","Chem.Commun.","2014","50","","9302","","10.1039/C4cc03415E","","","0.71073","MoKα","","0.1801","0.1084","","","0.2633","0.2979","","","","","","1.086","","","","has coordinates,has disorder","180268","2020-10-21","18:00:00",""
"7115450","5.6907","0.0011","7.4227","0.0014","9.3653","0.0018","108.137","0.003","100.781","0.003","90.415","0.003","368.39","0.12","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H12 Br F N2 O4 -","- C15 H12 Br F N2 O4 -","- C15 H12 Br F N2 O4 -","1","1","","Jacek Kwiatkowski; Yixin Lu","Asymmetric Michael addition of alpha-fluoro-alpha-nitroalkanes to nitroolefins: facile preparation of fluorinated amines and tetrahydropyrimidines","Chem.Commun.","2014","50","","9313","","10.1039/C4cc03513E","","","0.71073","MoKα","","0.0379","0.0379","","","0.0946","0.0947","","","","","","1.046","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115451","10.158","0.004","12.393","0.005","17.576","0.006","92.45","0.006","92.727","0.006","95.945","0.006","2195.7","1.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H24 Fe2 O5 P2 S2 -","- C15 H24 Fe2 O5 P2 S2 -","- C60 H96 Fe8 O20 P8 S8 -","4","2","","Dehua Zheng; Mei Wang; Lin Chen; Ning Wang; Minglun Cheng; Licheng Sun","The influence of a S-to-S bridge in diiron dithiolate models on the oxidation reaction: a mimic of the Hairox state of [FeFe]-hydrogenases","Chem.Commun.","2014","50","","9255","","10.1039/C4cc03583F","","","0.71073","MoKα","","0.1451","0.0686","","","0.1384","0.1733","","","","","","0.96","","","","has coordinates","182257","2020-10-21","18:00:00",""
"7115452","8.9553","0.0015","10.2137","0.0016","11.056","0.003","105.403","0.003","93.507","0.003","112.215","0.002","887.6","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Fe2 O6 P S2 -","- C13 H15 Fe2 O6 P S2 -","- C26 H30 Fe4 O12 P2 S4 -","2","1","","Dehua Zheng; Mei Wang; Lin Chen; Ning Wang; Minglun Cheng; Licheng Sun","The influence of a S-to-S bridge in diiron dithiolate models on the oxidation reaction: a mimic of the Hairox state of [FeFe]-hydrogenases","Chem.Commun.","2014","50","","9255","","10.1039/C4cc03583F","","","0.71073","MoKα","","0.046","0.039","","","0.103","0.1078","","","","","","1.011","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115453","12.6932","0.0008","18.5417","0.0014","25.8275","0.0018","90","","91.44","0.004","90","","6076.7","0.7","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 B Cl2 F24 Fe2 O6 P2 S2 -","- C48 H39 B Cl2 F24 Fe2 O6 P2 S2 -","- C192 H156 B4 Cl8 F96 Fe8 O24 P8 S8 -","4","1","","Dehua Zheng; Mei Wang; Lin Chen; Ning Wang; Minglun Cheng; Licheng Sun","The influence of a S-to-S bridge in diiron dithiolate models on the oxidation reaction: a mimic of the Hairox state of [FeFe]-hydrogenases","Chem.Commun.","2014","50","","9255","","10.1039/C4cc03583F","","","0.71073","MoKα","","0.1663","0.1011","","","0.2492","0.2701","","","","","","1.069","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115454","8.978","0.002","10.664","0.002","15.89","0.004","104.914","0.003","94.754","0.004","100.9","0.004","1429.6","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H34 N2 O4 -","- C37 H34 N2 O4 -","- C74 H68 N4 O8 -","2","1","","Daobin Yang; Qianqian Yang; Lin Yang; Qian Luo; Yao Chen; Youqin Zhu; Yan Huang; Zhiyun Lu; Suling Zhao","A low bandgap asymmetrical squaraine for high-performance solution-processed small molecule organic solar cells","Chem.Commun.","2014","50","","9346","","10.1039/C4cc03831B","","","0.71073","MoKα","","0.1293","0.0759","","","0.2139","0.2602","","","","","","1.013","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115455","14.082","0.0006","14.0978","0.0004","16.5453","0.0005","90","","112.969","0.004","90","","3024.2","0.2","143.05","0.1","143.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N2 O4 -","- C38 H36 N2 O4 -","- C152 H144 N8 O16 -","4","1","","Daobin Yang; Qianqian Yang; Lin Yang; Qian Luo; Yao Chen; Youqin Zhu; Yan Huang; Zhiyun Lu; Suling Zhao","A low bandgap asymmetrical squaraine for high-performance solution-processed small molecule organic solar cells","Chem.Commun.","2014","50","","9346","","10.1039/C4cc03831B","","","0.7107","MoKα","","0.0875","0.0619","","","0.1577","0.1753","","","","","","1.032","","","","has coordinates,has disorder","180268","2020-10-21","18:00:00",""
"7115456","12.84","0.003","13.714","0.004","16.694","0.005","110.48","0.04","92.56","0.04","113.89","0.05","2457.6","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 N6 O Ru -","- C60 H44 N6 O Ru -","- C120 H88 N12 O2 Ru2 -","2","1","","Michal J. Bialek; Lechoslaw Latos-Grazynski","Merging of inner and outer ruthenium organometallic coordination motifs within an azuliporphyrin framework","Chem.Commun.","2014","50","","9270","","10.1039/C4cc04271A","","","1.54184","CuKα","","0.0896","0.063","","","0.1501","0.157","","","","","","0.866","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115457","10.203","0.005","13.884","0.006","14.858","0.006","77.68","0.05","70.21","0.05","87.94","0.05","1933.3","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H34 N4 O Ru -","- C53 H34 N4 O Ru -","- C106 H68 N8 O2 Ru2 -","2","1","","Michal J. Bialek; Lechoslaw Latos-Grazynski","Merging of inner and outer ruthenium organometallic coordination motifs within an azuliporphyrin framework","Chem.Commun.","2014","50","","9270","","10.1039/C4cc04271A","","","1.5418","CuKα","","0.1863","0.0855","","","0.0843","0.0982","","","","","","0.873","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115458","10.468","0.003","13.376","0.004","22.516","0.007","96.81","0.05","100.38","0.05","112.03","0.06","2814","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H39 N3 O10 Ru5 -","- C67 H39 N3 O10 Ru5 -","- C134 H78 N6 O20 Ru10 -","2","1","","Michal J. Bialek; Lechoslaw Latos-Grazynski","Merging of inner and outer ruthenium organometallic coordination motifs within an azuliporphyrin framework","Chem.Commun.","2014","50","","9270","","10.1039/C4cc04271A","","","0.71073","MoKα","","0.1201","0.0746","","","0.1877","0.2158","","","","","","1.022","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115459","9.461","0.003","12.465","0.003","22.653","0.005","98.26","0.03","100.04","0.03","105.21","0.04","2487.5","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H31 N3 Ni O9 Ru4 -","- C59 H31 N3 Ni O9 Ru4 -","- C118 H62 N6 Ni2 O18 Ru8 -","2","1","","Michal J. Bialek; Lechoslaw Latos-Grazynski","Merging of inner and outer ruthenium organometallic coordination motifs within an azuliporphyrin framework","Chem.Commun.","2014","50","","9270","","10.1039/C4cc04271A","","","0.71073","MoKα","","0.0352","0.032","","","0.0844","0.0873","","","","","","1.039","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115460","9.344","0.002","12.595","0.003","22.998","0.004","76.21","0.02","79.06","0.03","73.79","0.02","2501.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H31 N3 O9 Pd Ru4 -","- C59 H31 N3 O9 Pd Ru4 -","- C118 H62 N6 O18 Pd2 Ru8 -","2","1","","Michal J. Bialek; Lechoslaw Latos-Grazynski","Merging of inner and outer ruthenium organometallic coordination motifs within an azuliporphyrin framework","Chem.Commun.","2014","50","","9270","","10.1039/C4cc04271A","","","0.71073","MoKα","","0.0753","0.059","","","0.1319","0.1397","","","","","","1.128","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115461","10.192","0.004","13.967","0.005","20.939","0.007","80.13","0.03","86.41","0.04","68.98","0.04","2741.2","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H31 N3 O9 Pt Ru4 -","- C59 H31 N3 O9 Pt Ru4 -","- C118 H62 N6 O18 Pt2 Ru8 -","2","1","","Michal J. Bialek; Lechoslaw Latos-Grazynski","Merging of inner and outer ruthenium organometallic coordination motifs within an azuliporphyrin framework","Chem.Commun.","2014","50","","9270","","10.1039/C4cc04271A","","","0.71073","MoKα","","0.0649","0.0418","","","0.0687","0.0742","","","","","","0.983","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115462","10.315","0.003","11.935","0.003","14.841","0.004","103.07","0.04","97.56","0.03","102.32","0.04","1707.4","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H31 N3 Pt -","- C50 H31 N3 Pt -","- C100 H62 N6 Pt2 -","2","1","","Michal J. Bialek; Lechoslaw Latos-Grazynski","Merging of inner and outer ruthenium organometallic coordination motifs within an azuliporphyrin framework","Chem.Commun.","2014","50","","9270","","10.1039/C4cc04271A","","","1.54184","CuKα","","0.0836","0.0749","","","0.1837","0.1953","","","","","","0.959","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115463","7.9194","0.0003","8.8519","0.0003","17.343","0.0006","90","","90","","90","","1215.77","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 Cl N O3 -","- C13 H10 Cl N O3 -","- C52 H40 Cl4 N4 O12 -","4","1","","Amit Kumar; Abhimanyu Yadav; Ajay Verma; Sadhan Jana; Moh. Sattar; Shailesh Kumar; Ch. Durga Prasad; Sangit Kumar","Chemoselective arylation of phenols with bromo-nitroarenes: synthesis of nitro-biaryl-ols and their conversion into benzofurans and carbazoles","Chem.Commun.","2014","50","","9481","","10.1039/C4cc03090G","","","0.71073","MoKα","","0.0453","0.039","","","0.0966","0.1003","","","","","","1.021","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115464","7.9842","0.0014","8.9505","0.0015","17.463","0.003","90","","90","","90","","1248","0.4","305","2","305","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Br N O3 -","- C13 H10 Br N O3 -","- C52 H40 Br4 N4 O12 -","4","1","","Amit Kumar; Abhimanyu Yadav; Ajay Verma; Sadhan Jana; Moh. Sattar; Shailesh Kumar; Ch. Durga Prasad; Sangit Kumar","Chemoselective arylation of phenols with bromo-nitroarenes: synthesis of nitro-biaryl-ols and their conversion into benzofurans and carbazoles","Chem.Commun.","2014","50","","9481","","10.1039/C4cc03090G","","","0.71073","MoKα","","0.0764","0.043","","","0.1223","0.1396","","","","","","1.016","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115465","6.8419","0.0003","8.434","0.0003","12.6395","0.0005","82.195","0.003","79.847","0.003","85.04","0.002","709.82","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Amit Kumar; Abhimanyu Yadav; Ajay Verma; Sadhan Jana; Moh. Sattar; Shailesh Kumar; Ch. Durga Prasad; Sangit Kumar","Chemoselective arylation of phenols with bromo-nitroarenes: synthesis of nitro-biaryl-ols and their conversion into benzofurans and carbazoles","Chem.Commun.","2014","50","","9481","","10.1039/C4cc03090G","","","0.71073","MoKα","","0.0552","0.0457","","","0.134","0.1404","","","","","","1.083","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115466","14.4397","0.0011","10.6268","0.0009","7.2172","0.0005","90","","90","","90","","1107.46","0.15","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C52 H44 N4 O12 -","4","1","","Amit Kumar; Abhimanyu Yadav; Ajay Verma; Sadhan Jana; Moh. Sattar; Shailesh Kumar; Ch. Durga Prasad; Sangit Kumar","Chemoselective arylation of phenols with bromo-nitroarenes: synthesis of nitro-biaryl-ols and their conversion into benzofurans and carbazoles","Chem.Commun.","2014","50","","9481","","10.1039/C4cc03090G","","","0.71073","MoKα","","0.0554","0.0414","","","0.0904","0.1087","","","","","","1.15","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115467","25.629","0.003","25.629","0.003","11.1848","0.0015","90","","90","","120","","6362.4","1.4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C85 H116 Cl2 N12 O3 -","- C85.02 H116.04 Cl2.03 N12 O3 -","- C255.06 H348.12 Cl6.09 N36 O9 -","3","0.333333","","Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper","Guest control of structure in porous organic cages","Chem.Commun.","2014","50","","9465","","10.1039/C4cc04158E","","","0.71073","MoKα","","0.111","0.1095","","","0.3007","0.302","","","","","","1.139","","","","has coordinates,has disorder","180268","2020-10-21","18:00:00",""
"7115468","25.2558","0.0011","25.2558","0.0011","11.0068","0.0005","90","","90","","120","","6080.1","0.5","100","2","100","2","","","","","","","","3","P 3","P 3","143","cage3R","","","- C72 H84 N27 -","- C72 H84 N27 -","- C216 H252 N81 -","3","1","","Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper","Guest control of structure in porous organic cages","Chem.Commun.","2014","50","","9465","","10.1039/C4cc04158E","","","0.71073","MoKα","","0.0777","0.0642","","","0.1723","0.185","","","","","","1.028","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115469","25.1483","0.0015","25.1483","0.0015","11.0268","0.0007","90","","90","","120","","6039.5","0.6","300","2","300","2","","","","","","","","3","P 3","P 3","143","","","","- C72 H84 N12 -","- C72 H84 N12 -","- C216 H252 N36 -","3","1","","Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper","Guest control of structure in porous organic cages","Chem.Commun.","2014","50","","9465","","10.1039/C4cc04158E","","","0.71073","MoKα","","0.0959","0.0689","","","0.1683","0.1884","","","","","","1.065","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115470","25.2084","0.0015","25.2084","0.0015","11.0674","0.0007","90","","90","","120","","6090.7","0.6","400","2","400","2","","","","","","","","3","P 3","P 3","143","","","","- C72 H84 N12 -","- C72 H84 N12 -","- C216 H252 N36 -","3","1","","Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper","Guest control of structure in porous organic cages","Chem.Commun.","2014","50","","9465","","10.1039/C4cc04158E","","","0.71073","MoKα","","0.0985","0.0576","","","0.1383","0.1637","","","","","","1.019","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115471","24.242","0.009","24.242","0.009","24.242","0.009","90","","90","","90","","14246","9","350","","350","","","","","","","","","3","F 41 3 2","F 4d 2 3","210","","","","- C66 H72 N12 -","- C66 H72 N12 -","- C528 H576 N96 -","8","0.0833333","","Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper","Guest control of structure in porous organic cages","Chem.Commun.","2014","50","","9465","","10.1039/C4cc04158E","","x-ray","0.71073","MoKα","","0.127","0.1146","","","0.2692","0.2904","","","","","","1.338","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115472","16.7488","0.0015","19.2538","0.0019","25.342","0.003","90","","90","","90","","8172.2","1.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C90 H106 N12 O2 -","- C90 H102 N12 O2 -","- C360 H408 N48 O8 -","4","1","","Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper","Guest control of structure in porous organic cages","Chem.Commun.","2014","50","","9465","","10.1039/C4cc04158E","","x-ray","0.71073","MoKα","","0.0778","0.0698","","","0.1982","0.2088","","","","","","1.031","","","","has coordinates,has disorder","180268","2020-10-21","18:00:00",""
"7115473","17.1018","0.0002","15.8815","0.0002","26.2016","0.0003","90","","90.618","0.001","90","","7116","0.15","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H82 Cl4 Fe O4 P4 -","- C78 H82 Cl4 Fe O4 P4 -","- C312 H328 Cl16 Fe4 O16 P16 -","4","1","","Matthieu Beauperin; Radomyr Smaliy; Helene Cattey; Philippe Meunier; Jun Ou; Patrick H. Toy; Jean-Cyrille Hierso","Modular functionalized polyphosphines for supported materials: previously unobserved 31P-NMR 'through-space' ABCD spin systems and heterogeneous palladium-catalysed C-C and C-H arylation","Chem.Commun.","2014","50","","9505","","10.1039/C4cc04307C","","","0.71073","MoKα","","0.0593","0.0378","","","0.0854","0.0935","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115474","12.146","0.0001","26.8418","0.0003","19.2035","0.0002","90","","106.827","0.001","90","","5992.67","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C70 H66 Fe P4 -","- C70 H66 Fe P4 -","- C280 H264 Fe4 P16 -","4","1","","Matthieu Beauperin; Radomyr Smaliy; Helene Cattey; Philippe Meunier; Jun Ou; Patrick H. Toy; Jean-Cyrille Hierso","Modular functionalized polyphosphines for supported materials: previously unobserved 31P-NMR 'through-space' ABCD spin systems and heterogeneous palladium-catalysed C-C and C-H arylation","Chem.Commun.","2014","50","","9505","","10.1039/C4cc04307C","","","0.71073","MoKα","","0.1018","0.0488","","","0.1068","0.1258","","","","","","1.019","","","","has coordinates,has disorder","180268","2020-10-21","18:00:00",""
"7115475","15.11825","0.00009","19.66971","0.00014","9.20725","0.00006","90","","90","","90","","2737.97","0.03","173","","173","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H35 Al F N3 -","- C29 H35 Al F N3 -","- C116 H140 Al4 F4 N12 -","4","0.5","","Adi E. Nako; Sarah J. Gates; Nicole Schadel; Andrew J. P. White; Mark R. Crimmin","Yttrium-catalysed dehydrocoupling of alanes with amines","Chem.Commun.","2014","50","","9536","","10.1039/C4cc04484C","","","1.54184","CuKα","","0.0428","0.0406","","","0.1204","0.1225","","","","","","1.057","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115476","9.13917","0.00011","15.5779","0.0003","22.9215","0.0004","90","","94.3724","0.0013","90","","3253.82","0.09","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 Al F2 N5 -","- C33 H44 Al F2 N5 -","- C132 H176 Al4 F8 N20 -","4","1","","Adi E. Nako; Sarah J. Gates; Nicole Schadel; Andrew J. P. White; Mark R. Crimmin","Yttrium-catalysed dehydrocoupling of alanes with amines","Chem.Commun.","2014","50","","9536","","10.1039/C4cc04484C","","","1.54184","CuKα","","0.0454","0.0384","","","0.1005","0.1067","","","","","","1.043","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115477","10.816","0.0003","19.4921","0.0008","16.6321","0.0006","90","","90.876","0.003","90","","3506.1","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H52 Al N3 -","- C38.5 H52 Al N3 -","- C154 H208 Al4 N12 -","4","1","","Adi E. Nako; Sarah J. Gates; Nicole Schadel; Andrew J. P. White; Mark R. Crimmin","Yttrium-catalysed dehydrocoupling of alanes with amines","Chem.Commun.","2014","50","","9536","","10.1039/C4cc04484C","","","0.71073","MoKα","","0.0727","0.0497","","","0.1195","0.1318","","","","","","1.023","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115478","20.542","0.002","23.791","0.003","24.599","0.002","91.402","0.01","95.326","0.007","115.533","0.008","10773","2","100","2","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C106 H136 F12 N9 O12.5 P2 -","- C106 H136 F12 N9 O12.5 P2 -","- C424 H544 F48 N36 O50 P8 -","4","2","","Eleanor A. Wilson; Nicolaas A. Vermeulen; Paul R. McGonigal; Alyssa-Jennifer Avestro; Amy A. Sarjeant; Charlotte L. Stern; J. Fraser Stoddart","Formation of a hetero[3]rotaxane by a dynamic component-swapping strategy","Chem.Commun.","2014","50","","9665","","10.1039/C4cc03612C","","","1.54178","CuKα","","0.2874","0.1475","","","0.3687","0.4305","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115479","17.5877","0.0008","18.0515","0.0009","19.1109","0.0009","73.981","0.002","64.138","0.002","88.09","0.002","5221.1","0.4","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C105 H127 F16 N11 O10 P2 -","- C104.998 H126.997 F16 N10.999 O10 P2 -","- C209.996 H253.994 F32 N21.998 O20 P4 -","2","1","","Eleanor A. Wilson; Nicolaas A. Vermeulen; Paul R. McGonigal; Alyssa-Jennifer Avestro; Amy A. Sarjeant; Charlotte L. Stern; J. Fraser Stoddart","Formation of a hetero[3]rotaxane by a dynamic component-swapping strategy","Chem.Commun.","2014","50","","9665","","10.1039/C4cc03612C","","","1.54178","CuKα","","0.1035","0.0922","","","0.2575","0.2715","","","","","","1.049","","","","has coordinates,has disorder","180268","2020-10-21","18:00:00",""
"7115480","7.0231","0.0008","10.3536","0.0006","9.2156","0.0011","90","","93.182","0.004","90","","669.07","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N3 O2 -","- C15 H17 N3 O2 -","- C30 H34 N6 O4 -","2","1","","Pierre Regenass; Jean-Francois Margathe; Andre Mann; Jean Suffert; Marcel Hibert; Nicolas Girard; Dominique Bonnet","Diastereoselective synthesis of novel aza-diketopiperazines via a domino cyclohydrocarbonylation/addition process","Chem.Commun.","2014","50","","9657","","10.1039/C4cc03660C","","","0.71073","MoKα","","0.0876","0.058","","","0.1239","0.1395","","","","","","1.067","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115481","7.7486","0.0005","7.2","0.0005","8.8891","0.0006","90","","98.796","0.002","90","","490.09","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C20 H26 N6 O6 -","2","1","","Pierre Regenass; Jean-Francois Margathe; Andre Mann; Jean Suffert; Marcel Hibert; Nicolas Girard; Dominique Bonnet","Diastereoselective synthesis of novel aza-diketopiperazines via a domino cyclohydrocarbonylation/addition process","Chem.Commun.","2014","50","","9657","","10.1039/C4cc03660C","","","0.71073","MoKα","","0.0391","0.0327","","","0.0835","0.0873","","","","","","1.048","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115482","7.9124","0.0002","9.5931","0.0003","19.4561","0.0006","90","","90","","90","","1476.8","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N3 O2 -","- C16 H19 N3 O2 -","- C64 H76 N12 O8 -","4","1","","Pierre Regenass; Jean-Francois Margathe; Andre Mann; Jean Suffert; Marcel Hibert; Nicolas Girard; Dominique Bonnet","Diastereoselective synthesis of novel aza-diketopiperazines via a domino cyclohydrocarbonylation/addition process","Chem.Commun.","2014","50","","9657","","10.1039/C4cc03660C","","","0.71073","MoKα","","0.0615","0.0487","","","0.1096","0.1247","","","","","","1.212","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115483","10.6284","0.0006","11.6932","0.0006","25.7411","0.0015","90","","101.369","0.003","90","","3136.3","0.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C128 H168 N24 O24 -","8","2","","Pierre Regenass; Jean-Francois Margathe; Andre Mann; Jean Suffert; Marcel Hibert; Nicolas Girard; Dominique Bonnet","Diastereoselective synthesis of novel aza-diketopiperazines via a domino cyclohydrocarbonylation/addition process","Chem.Commun.","2014","50","","9657","","10.1039/C4cc03660C","","","1.54178","CuKα","","0.029","0.0285","","","0.0766","0.077","","","","","","1.057","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115484","7.9428","0.0004","10.4945","0.0004","21.4599","0.0005","90","","90","","90","","1788.81","0.12","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C72 H88 N16 O24 -","4","1","","Pierre Regenass; Jean-Francois Margathe; Andre Mann; Jean Suffert; Marcel Hibert; Nicolas Girard; Dominique Bonnet","Diastereoselective synthesis of novel aza-diketopiperazines via a domino cyclohydrocarbonylation/addition process","Chem.Commun.","2014","50","","9657","","10.1039/C4cc03660C","","","0.71073","MoKα","","0.0615","0.0447","","","0.0994","0.118","","","","","","1.124","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115485","8.3044","0.0004","10.8929","0.0005","9.6338","0.0005","90","","90.269","0.001","90","","871.45","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N4 O5 -","- C17 H22 N4 O5 -","- C34 H44 N8 O10 -","2","1","","Pierre Regenass; Jean-Francois Margathe; Andre Mann; Jean Suffert; Marcel Hibert; Nicolas Girard; Dominique Bonnet","Diastereoselective synthesis of novel aza-diketopiperazines via a domino cyclohydrocarbonylation/addition process","Chem.Commun.","2014","50","","9657","","10.1039/C4cc03660C","","","0.71073","MoKα","","0.0395","0.0333","","","0.0835","0.0873","","","","","","1.026","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115486","7.9768","0.0004","24.4818","0.0012","8.0015","0.0004","90","","97.823","0.001","90","","1548.04","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N6 O2 -","- C15 H18 N6 O2 -","- C60 H72 N24 O8 -","4","2","","Pierre Regenass; Jean-Francois Margathe; Andre Mann; Jean Suffert; Marcel Hibert; Nicolas Girard; Dominique Bonnet","Diastereoselective synthesis of novel aza-diketopiperazines via a domino cyclohydrocarbonylation/addition process","Chem.Commun.","2014","50","","9657","","10.1039/C4cc03660C","","","0.71073","MoKα","","0.0518","0.0425","","","0.0982","0.103","","","","","","1.044","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115487","7.6663","0.0003","13.8258","0.001","14.6694","0.0012","90","","90","","90","","1554.85","0.18","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C64 H72 N16 O8 -","4","1","","Pierre Regenass; Jean-Francois Margathe; Andre Mann; Jean Suffert; Marcel Hibert; Nicolas Girard; Dominique Bonnet","Diastereoselective synthesis of novel aza-diketopiperazines via a domino cyclohydrocarbonylation/addition process","Chem.Commun.","2014","50","","9657","","10.1039/C4cc03660C","","","0.71073","MoKα","","0.1066","0.0529","","","0.1034","0.1397","","","","","","1.075","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115488","8.9441","0.0001","14.5843","0.0002","16.6608","0.0002","90","","96.085","0.001","90","","2161.05","0.05","293","2","293","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Cl2 O P Ru -","- C22 H27 Cl2 O P Ru -","- C88 H108 Cl8 O4 P4 Ru4 -","4","1","","Eder Tomas-Mendivil; Francisco J. Suarez; Josefina Diez; Victorio Cadierno","An efficient ruthenium(IV) catalyst for the selective hydration of nitriles to amides in water under mild conditions","Chem.Commun.","2014","50","","9661","","10.1039/C4cc04058A","","","0.7107","MoKα","","0.0379","0.028","","","0.0751","0.0772","","","","","","1.026","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115489","9.7254","0.0009","9.9683","0.0009","20.395","0.0019","90","","90","","90","","1977.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O8 -","- C19 H25 N O8 -","- C76 H100 N4 O32 -","4","1","","Minghao Feng; Xuefeng Jiang","Stereoselective construction of a key hydroindole precursor of epidithiodiketopiperazine (ETP) natural products","Chem.Commun.","2014","50","","9690","","10.1039/C4cc04148H","","","0.71073","MoKα","","0.0448","0.0367","","","0.0891","0.0948","","","","","","1.044","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115490","5.0916","0.0007","9.9171","0.0013","10.6705","0.0015","81.115","0.004","77.646","0.005","87.407","0.004","519.96","0.12","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H25 N O8 -","- C19 H25 N O8 -","- C19 H25 N O8 -","1","1","","Minghao Feng; Xuefeng Jiang","Stereoselective construction of a key hydroindole precursor of epidithiodiketopiperazine (ETP) natural products","Chem.Commun.","2014","50","","9690","","10.1039/C4cc04148H","","","0.71073","MoKα","","0.0864","0.0763","","","0.2046","0.2202","","","","","","1.038","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115491","9.1672","0.0005","7.7813","0.0005","12.998","0.0008","90","","99.487","0.002","90","","914.5","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C40 H50 N2 O10 -","2","1","","Minghao Feng; Xuefeng Jiang","Stereoselective construction of a key hydroindole precursor of epidithiodiketopiperazine (ETP) natural products","Chem.Commun.","2014","50","","9690","","10.1039/C4cc04148H","","","0.71073","MoKα","","0.0256","0.0247","","","0.0648","0.0656","","","","","","1.051","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115492","10.2758","0.0003","8.6059","0.00015","10.5383","0.0003","90","","118.016","0.004","90","","822.72","0.05","","","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","3-(benzo[d][1,3]dioxol-2-yl)-1-phenyl-2-(pyridin-3-yl)propan-1-one","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C42 H34 N2 O6 -","2","1","","Xue-Qiang Chu; Hua Meng; You Zi; Xiao-Ping Xu; Shun-Jun Ji","Metal-free oxidative direct C(sp3)-H bond functionalization of ethers with alpha,alpha-diaryl allylic alcohols","Chem.Commun.","2014","50","","9718","","10.1039/C4cc04282D","","","","","","0.0462","0.0456","","","0.1061","0.107","","","","","","","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115493","19.7038","0.0004","23.9063","0.0004","24.8954","0.0007","90","","90","","90","","11726.9","0.5","93.1","","93.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H69 Cl3 F6 N6 O9 -","- C49 H69 Cl3 F6 N6 O9 -","- C392 H552 Cl24 F48 N48 O72 -","8","2","","Joonil Cho; Kyohei Sawaki; Shinya Hanashima; Yoshiki Yamaguchi; Motoo Shiro; Kazuhiko Saigo; Yasuhiro Ishida","Stabilization of beta-peptide helices by direct attachment of trifluoromethyl groups to peptide backbones","Chem.Commun.","2014","50","","9855","","10.1039/C4cc02136C","","","1.54187","CuKα","","","0.1065","","","","0.3023","","","","","","1.197","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115494","12.5336","0.001","13.353","0.001","15.0479","0.0012","61.684","0.001","87.181","0.001","79.894","0.001","2181","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C49.2 H55.8 Cl N4 Rh -","- C49.2 H48.8 Cl N4 Rh -","- C98.4 H97.6 Cl2 N8 Rh2 -","2","1","","Eric C. Keske; Brandon D. Moore; Olena V. Zenkina; Ruiyao Wang; Gabriele Schatte; Cathleen M. Crudden","Highly selective directed arylation reactions via back-to-back dehydrogenative C-H borylation/arylation reactions","Chem.Commun.","2014","50","","9883","","10.1039/C4cc02499K","","","0.71073","MoKα","","0.0468","0.0399","","","0.1075","0.1134","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115495","10.0448","0.0009","13.1778","0.001","13.6491","0.0012","90","","96.075","0.002","90","","1796.6","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 B N O2 -","- C19 H24 B N O2 -","- C76 H96 B4 N4 O8 -","4","1","","Eric C. Keske; Brandon D. Moore; Olena V. Zenkina; Ruiyao Wang; Gabriele Schatte; Cathleen M. Crudden","Highly selective directed arylation reactions via back-to-back dehydrogenative C-H borylation/arylation reactions","Chem.Commun.","2014","50","","9883","","10.1039/C4cc02499K","","","0.71073","MoKα","","0.0591","0.0391","","","0.0942","0.1066","","","","","","1.039","","","","has coordinates,has disorder","180268","2020-10-21","18:00:00",""
"7115496","11.325","0.002","21.95","0.004","20.931","0.004","90","","101.373","0.002","90","","5100.9","1.6","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pr@C82-Ad","PrC82Ad","","- C94.5 H14 Pr S5 -","- C94.5 H14 Pr0.99 S5 -","- C378 H56 Pr3.96 S20 -","4","1","","Qin Zhou; Hui Li; Yongfu Lian; Mitsuaki Suzuki; Lipiao Bao; Wenting Cai,c; Weiwei Wang; Shigeru Nagase; Xing Lu; Takeshi Akasaka","Regioselective synthesis and molecular structure of the first derivative of praseodymium-containing metallofullerenes","Chem.Commun.","2014","50","","9876","","10.1039/C4cc02949F","","","0.71073","MoKα","","0.1398","0.1087","","","0.2518","0.27","","","","","","1.151","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115497","18.3707","0.0017","6.8494","0.0006","24.489","0.002","90","","91.718","0.001","90","","3080","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C152 H120 N24 O24 -","8","1","","Feng-Cheng Jia; Cheng Xu; Qun Cai; An-Xin Wu","An integration of condensation/Ullmann-type coupling/bicyclization sequences: copper-catalyzed three-component direct synthesis of [1,2,4]triazolo[1,5-b]isoquinolin-5(1H)-ones","Chem.Commun.","2014","50","","9914","","10.1039/C4cc03420A","","","0.71073","MoKα","","0.0528","0.0433","","","0.1159","0.1216","","","","","","1.049","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115498","14.1468","0.0013","14.5133","0.0013","16.7542","0.0015","103.78","0.001","102.619","0.001","99.907","0.001","3167.8","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C130 H130 Cl N10 O4 -","- C130 H130 Cl N10 O4 -","- C130 H130 Cl N10 O4 -","1","0.5","","Brandon E. Hirsch; Semin Lee; Bo Qiao; Chun-Hsing Chen; Kevin P. McDonald; Steven L. Tait; Amar H. Flood","Anion-induced dimerization of 5-fold symmetric cyanostars in 3D crystalline solids and 2D self-assembled crystals","Chem.Commun.","2014","50","","9827","","10.1039/C4cc03725A","","","0.41328","Synchrotron","","0.1806","0.1546","","0.4455","0.3955","0.4452","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115499","7.277","0.002","9.1288","0.0018","11.6854","0.0014","92.665","0.013","97.218","0.015","107.79","0.02","730.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C28 H28 N4 O8 S2 -","2","1","","Ying-Xiu Li; Lian-Hua Li; Yan-Fang Yang; Hui-Liang Hua; Xiao-Biao Yan; Lian-Biao Zhao; Jin-Bang Zhang; Fa-Jin Ji; Yong-Min Liang","Direct oxidative nitration of aromatic sulfonamides under mild conditions","Chem.Commun.","2014","50","","9936","","10.1039/C4cc03784G","","","0.7107","MoKα","","0.0727","0.0517","","","0.1299","0.1545","","","","","","1.084","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115500","10.7885","0.0009","8.7362","0.0008","22.4105","0.0016","90","","91.123","0.007","90","","2111.8","0.3","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 O -","- C30 H22 O -","- C120 H88 O4 -","4","1","","Seetharaman Manojveer; Rengarajan Balamurugan","A facile access to substituted benzo[a]fluorenes from o-alkynylbenzaldehydes via in situ formed acetals","Chem.Commun.","2014","50","","9925","","10.1039/C4cc03934C","","","0.71073","MoKα","","0.143","0.0656","","","0.1151","0.1449","","","","","","1.035","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115501","11.569","0.0011","9.0333","0.0009","46.939","0.005","90","","95.9944","0.0013","90","","4878.6","0.8","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 N O Si -","- C27 H35 N O Si -","- C216 H280 N8 O8 Si8 -","8","2","","Chao Feng; Daming Feng; Teck-Peng Loh","Rhodium(III)-catalyzed olefinic C-H alkynylation of enamides at room temperature","Chem.Commun.","2014","50","","9865","","10.1039/C4cc04072D","","","0.71073","MoKα","","0.0587","0.0458","","","0.1005","0.1069","","","","","","1.021","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115502","18.5049","0.0009","8.9306","0.0004","19.6878","0.001","90","","111.881","0.002","90","","3019.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 F3 N P Pd -","- C37 H27 F3 N P Pd -","- C148 H108 F12 N4 P4 Pd4 -","4","1","","Anant R. Kapdi; Gopal Dhangar; Jose Luis Serrano; Jose Perez; Luis Garcia; Ian J. S. Fairlamb","[Pd(C[logical and]N)(X)(PPh3)] palladacycles react with 2,4,6-trifluorophenyl boronic acid to give stable transmetallation products of the type [Pd(C[logical and]N)(2,4,6-F3C6H2)(PPh3)]","Chem.Commun.","2014","50","","9859","","10.1039/C4cc04203D","","","0.71073","MoKα","","0.0329","0.0245","","","0.0562","0.0593","","","","","","1.014","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115503","9.9041","0.0006","12.3289","0.0007","13.1446","0.0008","92.202","0.002","110.621","0.002","102.448","0.002","1455.37","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 F3 N2 P Pd -","- C36 H26 F3 N2 P Pd -","- C72 H52 F6 N4 P2 Pd2 -","2","1","","Anant R. Kapdi; Gopal Dhangar; Jose Luis Serrano; Jose Perez; Luis Garcia; Ian J. S. Fairlamb","[Pd(C[logical and]N)(X)(PPh3)] palladacycles react with 2,4,6-trifluorophenyl boronic acid to give stable transmetallation products of the type [Pd(C[logical and]N)(2,4,6-F3C6H2)(PPh3)]","Chem.Commun.","2014","50","","9859","","10.1039/C4cc04203D","","","0.71073","MoKα","","0.0409","0.0366","","","0.0952","0.0982","","","","","","1.011","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115504","11.9714","0.0005","12.3041","0.0005","16.0441","0.0007","67.975","0.001","88.863","0.001","86.969","0.001","2187.72","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H38 F6 O3 P2 Pd2 -","- C50 H38 F6 O3 P2 Pd2 -","- C100 H76 F12 O6 P4 Pd4 -","2","1","","Anant R. Kapdi; Gopal Dhangar; Jose Luis Serrano; Jose Perez; Luis Garcia; Ian J. S. Fairlamb","[Pd(C[logical and]N)(X)(PPh3)] palladacycles react with 2,4,6-trifluorophenyl boronic acid to give stable transmetallation products of the type [Pd(C[logical and]N)(2,4,6-F3C6H2)(PPh3)]","Chem.Commun.","2014","50","","9859","","10.1039/C4cc04203D","","","0.71073","MoKα","","0.0577","0.0465","","","0.1053","0.1137","","","","","","1.122","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115505","12.1168","0.0009","23.2879","0.0019","24.9924","0.0019","90","","90","","90","","7052.2","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H32 Cl F3 P2 Pd -","- C42 H32 Cl F3 P2 Pd -","- C336 H256 Cl8 F24 P16 Pd8 -","8","1","","Anant R. Kapdi; Gopal Dhangar; Jose Luis Serrano; Jose Perez; Luis Garcia; Ian J. S. Fairlamb","[Pd(C[logical and]N)(X)(PPh3)] palladacycles react with 2,4,6-trifluorophenyl boronic acid to give stable transmetallation products of the type [Pd(C[logical and]N)(2,4,6-F3C6H2)(PPh3)]","Chem.Commun.","2014","50","","9859","","10.1039/C4cc04203D","","","0.71073","MoKα","","0.0862","0.0582","","","0.1406","0.1533","","","","","","1.086","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115506","14.927","0.005","6.57","0.002","13.515","0.005","90","","116.131","0.003","90","","1189.9","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","","Jianming Liu; Xin Zhang; Lijun Shi; Muwen Liu; Yuanyuan Yue; Fuwei Li; Kelei Zhuo","Base-promoted synthesis of coumarins from salicylaldehydes and aryl-substituted 1,1-dibromo-1-alkenes under transition-metal-free conditions","Chem.Commun.","2014","50","","9887","","10.1039/C4cc04377D","","","0.71073","MoKα","","0.0782","0.0493","","","0.1069","0.1269","","","","","","1.11","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115507","13.073","0.002","15.574","0.003","12.961","0.002","90","","118.861","0.009","90","","2311.1","0.7","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C21 H35 Cr N2 O Si2 -","- C21 H36 Cr N2 O Si2 -","- C84 H144 Cr4 N8 O4 Si8 -","4","0.5","","Wen Zhou; Brian O. Patrick; Kevin M. Smith","Influence of redox non-innocent phenylenediamido ligands on chromium imido hydrogen-atom abstraction reactivity","Chem.Commun.","2014","50","","9958","","10.1039/C4cc04545A","","","0.71073","MoKα","","0.0767","0.0424","","","0.0977","0.1127","","","","","","1.044","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115508","13.5642","0.001","16.8668","0.0013","18.294","0.0014","90","","90","","90","","4185.4","0.5","173","2","173","2","","","","","","","","5","P b n a","-P 2ac 2b","60","","","","- C21 H31 Cl Cr N2 -","- C21 H31 Cl Cr N2 -","- C168 H248 Cl8 Cr8 N16 -","8","1","","Wen Zhou; Brian O. Patrick; Kevin M. Smith","Influence of redox non-innocent phenylenediamido ligands on chromium imido hydrogen-atom abstraction reactivity","Chem.Commun.","2014","50","","9958","","10.1039/C4cc04545A","","","0.71073","MoKα","","0.0656","0.0364","","","0.0814","0.0952","","","","","","1.01","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115509","10.747","0.004","12.676","0.004","16.141","0.005","90.42","0.006","107.496","0.006","110.92","0.005","1942.6","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 Cl Cr N2 -","- C23 H19 Cl Cr N2 -","- C92 H76 Cl4 Cr4 N8 -","4","2","","Wen Zhou; Brian O. Patrick; Kevin M. Smith","Influence of redox non-innocent phenylenediamido ligands on chromium imido hydrogen-atom abstraction reactivity","Chem.Commun.","2014","50","","9958","","10.1039/C4cc04545A","","","0.71073","MoKα","","0.1531","0.1357","","","0.3382","0.348","","","","","","1.099","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115510","10.5631","0.0012","19.238","0.002","14.5072","0.0016","90","","111.307","0.006","90","","2746.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 Cr N3 Si2 -","- C27 H42 Cr N3 Si2 -","- C108 H168 Cr4 N12 Si8 -","4","1","","Wen Zhou; Brian O. Patrick; Kevin M. Smith","Influence of redox non-innocent phenylenediamido ligands on chromium imido hydrogen-atom abstraction reactivity","Chem.Commun.","2014","50","","9958","","10.1039/C4cc04545A","","","0.71073","MoKα","","0.1148","0.0653","","","0.1667","0.1868","","","","","","1.08","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115511","9.436","0.0014","26.567","0.004","11.327","0.0017","90","","108.782","0.003","90","","2688.3","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cr N3 Si2 -","- C26 H38 Cr N3 Si2 -","- C104 H152 Cr4 N12 Si8 -","4","1","","Wen Zhou; Brian O. Patrick; Kevin M. Smith","Influence of redox non-innocent phenylenediamido ligands on chromium imido hydrogen-atom abstraction reactivity","Chem.Commun.","2014","50","","9958","","10.1039/C4cc04545A","","","0.71073","MoKα","","0.0556","0.0406","","","0.0927","0.0992","","","","","","1.067","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115512","15.964","0.003","13.0182","0.0019","14.345","0.003","90","","113.436","0.005","90","","2735.3","0.9","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C31 H46 Cr N3 -","- C31 H46 Cr N3 -","- C124 H184 Cr4 N12 -","4","0.5","","Wen Zhou; Brian O. Patrick; Kevin M. Smith","Influence of redox non-innocent phenylenediamido ligands on chromium imido hydrogen-atom abstraction reactivity","Chem.Commun.","2014","50","","9958","","10.1039/C4cc04545A","","","0.71073","MoKα","","0.0598","0.0393","","","0.0976","0.1073","","","","","","1.053","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115513","12.1837","0.0004","12.1849","0.0003","12.4184","0.0004","106.399","0.001","91.635","0.002","113.395","0.002","1602.36","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H48 Cr N4 -","- C34 H48 Cr N4 -","- C68 H96 Cr2 N8 -","2","1","","Wen Zhou; Brian O. Patrick; Kevin M. Smith","Influence of redox non-innocent phenylenediamido ligands on chromium imido hydrogen-atom abstraction reactivity","Chem.Commun.","2014","50","","9958","","10.1039/C4cc04545A","","","0.71073","MoKα","","0.0558","0.0417","","","0.1072","0.1152","","","","","","1.049","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115514","19.539","0.002","9.9443","0.0011","27.28","0.003","90","","90","","90","","5300.5","1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H39 Cr N3 O2 S -","- C28 H39 Cr N3 O2 S -","- C224 H312 Cr8 N24 O16 S8 -","8","1","","Wen Zhou; Brian O. Patrick; Kevin M. Smith","Influence of redox non-innocent phenylenediamido ligands on chromium imido hydrogen-atom abstraction reactivity","Chem.Commun.","2014","50","","9958","","10.1039/C4cc04545A","","","0.71073","MoKα","","0.1084","0.0579","","","0.1153","0.1338","","","","","","1.078","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115515","15.985","0.0018","11.686","0.0013","19.444","0.002","90","","110.836","0.003","90","","3394.6","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H51 Cr N3 O2 S Si2 -","- C32 H51 Cr N3 O2 S Si2 -","- C128 H204 Cr4 N12 O8 S4 Si8 -","4","1","","Wen Zhou; Brian O. Patrick; Kevin M. Smith","Influence of redox non-innocent phenylenediamido ligands on chromium imido hydrogen-atom abstraction reactivity","Chem.Commun.","2014","50","","9958","","10.1039/C4cc04545A","","","0.71073","MoKα","","0.0743","0.0409","","","0.0855","0.0969","","","","","","1.004","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115516","11.5255","0.0006","14.8611","0.0008","11.8913","0.0006","90","","92.265","0.003","90","","2035.17","0.18","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H41 B F15 O P -","- C44 H41 B F15 O P -","- C88 H82 B2 F30 O2 P2 -","2","1","","Michael H. Holthausen; Tayseer Mahdi; Christoph Schlepphorst; Lindsay J. Hounjet; Jan J. Weigand; Douglas W. Stephan","Frustrated Lewis pair-mediated C-O or C-H bond activation of ethers","Chem.Commun.","2014","50","","10038","","10.1039/C4cc01922A","","","0.71073","MoKα","","0.0853","0.0517","","","0.1007","0.1136","","","","","","1.009","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115517","12.3858","0.0012","10.4816","0.001","21.683","0.002","90","","93.545","0.002","90","","2809.6","0.5","153","2","153","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 F3 O3 P S -","- C28 H34 F3 O3 P S -","- C112 H136 F12 O12 P4 S4 -","4","1","","Michael H. Holthausen; Tayseer Mahdi; Christoph Schlepphorst; Lindsay J. Hounjet; Jan J. Weigand; Douglas W. Stephan","Frustrated Lewis pair-mediated C-O or C-H bond activation of ethers","Chem.Commun.","2014","50","","10038","","10.1039/C4cc01922A","","","0.71073","MoKα","","0.0907","0.0502","","","0.1245","0.1476","","","","","","1.01","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115518","8.2485","0.0002","9.5183","0.0002","22.078","0.0006","88.372","0.001","86.027","0.001","73.088","0.001","1654.37","0.07","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 F5 O3 P S -","- C34 H38 F5 O3 P S -","- C68 H76 F10 O6 P2 S2 -","2","1","","Michael H. Holthausen; Tayseer Mahdi; Christoph Schlepphorst; Lindsay J. Hounjet; Jan J. Weigand; Douglas W. Stephan","Frustrated Lewis pair-mediated C-O or C-H bond activation of ethers","Chem.Commun.","2014","50","","10038","","10.1039/C4cc01922A","","","0.71073","MoKα","","0.0694","0.0566","","","0.1594","0.171","","","","","","1.026","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115519","9.0615","0.0003","15.507","0.0005","13.509","0.0004","90","","90.58","0.002","90","","1898.14","0.1","153","2","153","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 F3 O4 P S -","- C13 H28 F3 O4 P S -","- C52 H112 F12 O16 P4 S4 -","4","1","","Michael H. Holthausen; Tayseer Mahdi; Christoph Schlepphorst; Lindsay J. Hounjet; Jan J. Weigand; Douglas W. Stephan","Frustrated Lewis pair-mediated C-O or C-H bond activation of ethers","Chem.Commun.","2014","50","","10038","","10.1039/C4cc01922A","","","1.54178","CuKα","","0.0409","0.0378","","","0.104","0.1059","","","","","","1.087","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115520","8.9375","0.0006","16.5265","0.0009","16.7035","0.001","90","","90","","90","","2467.2","0.3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 O4 P S -","- C23 H32 F3 O4 P S -","- C92 H128 F12 O16 P4 S4 -","4","1","","Michael H. Holthausen; Tayseer Mahdi; Christoph Schlepphorst; Lindsay J. Hounjet; Jan J. Weigand; Douglas W. Stephan","Frustrated Lewis pair-mediated C-O or C-H bond activation of ethers","Chem.Commun.","2014","50","","10038","","10.1039/C4cc01922A","","","0.71073","MoKα","","0.0413","0.0365","","","0.0851","0.0885","","","","","","1.029","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115521","8.1984","0.0001","14.7753","0.0002","15.114","0.0002","90","","90","","90","","1830.82","0.04","153","2","153","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H26 F3 O4 P S -","- C13 H26 F3 O4 P S -","- C52 H104 F12 O16 P4 S4 -","4","1","","Michael H. Holthausen; Tayseer Mahdi; Christoph Schlepphorst; Lindsay J. Hounjet; Jan J. Weigand; Douglas W. Stephan","Frustrated Lewis pair-mediated C-O or C-H bond activation of ethers","Chem.Commun.","2014","50","","10038","","10.1039/C4cc01922A","","","1.54178","CuKα","","0.0715","0.0689","","","0.1798","0.1822","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7115522","10.6205","0.0007","16.669","0.0011","15.7534","0.0011","90","","92.271","0.001","90","","2786.7","0.3","153","2","153","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H26 F3 O3 P S -","- C32 H26 F3 O3 P S -","- C128 H104 F12 O12 P4 S4 -","4","1","","Michael H. Holthausen; Tayseer Mahdi; Christoph Schlepphorst; Lindsay J. Hounjet; Jan J. Weigand; Douglas W. Stephan","Frustrated Lewis pair-mediated C-O or C-H bond activation of ethers","Chem.Commun.","2014","50","","10038","","10.1039/C4cc01922A","","","0.71073","MoKα","","0.0407","0.0343","","","0.0786","0.0816","","","","","","1.033","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115523","9.7033","0.0001","17.8716","0.0002","16.8564","0.0002","90","","93.436","0.001","90","","2917.87","0.06","153","2","153","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 F3 O3 P S -","- C32 H38 F3 O3 P S -","- C128 H152 F12 O12 P4 S4 -","4","1","","Michael H. Holthausen; Tayseer Mahdi; Christoph Schlepphorst; Lindsay J. Hounjet; Jan J. Weigand; Douglas W. Stephan","Frustrated Lewis pair-mediated C-O or C-H bond activation of ethers","Chem.Commun.","2014","50","","10038","","10.1039/C4cc01922A","","","1.54178","CuKα","","0.0467","0.0392","","","0.1061","0.1097","","","","","","1.052","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115524","10.78","0.004","13.453","0.006","15.304","0.006","90","","90","","90","","2219.4","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Br N3 O2 -","- C24 H26 Br N3 O2 -","- C96 H104 Br4 N12 O8 -","4","1","","Yu Tan; Han-Lin Luan; Hua Lin; Xing-Wen Sun; Xiao-Di Yang; Han-Qing Dong; Guo-Qiang Lin","One-pot enantioselective construction of indoloquinolizidine derivatives bearing five contiguous stereocenters using aliphatic aldehydes, nitroethylenes, and tryptamine","Chem.Commun.","2014","50","","10027","","10.1039/C4cc01929F","","","0.71073","MoKα","","0.0465","0.0335","","","0.0429","0.0439","","","","","","1","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115525","9.784","0.005","8.872","0.004","14.497","0.007","90","","90","0.007","90","","1258.4","1.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H35 N3 O2 -","- C28 H35 N3 O2 -","- C56 H70 N6 O4 -","2","1","","Yu Tan; Han-Lin Luan; Hua Lin; Xing-Wen Sun; Xiao-Di Yang; Han-Qing Dong; Guo-Qiang Lin","One-pot enantioselective construction of indoloquinolizidine derivatives bearing five contiguous stereocenters using aliphatic aldehydes, nitroethylenes, and tryptamine","Chem.Commun.","2014","50","","10027","","10.1039/C4cc01929F","","","0.71073","MoKα","","0.1097","0.0629","","","0.1604","0.1794","","","","","","0.854","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7115526","9.638","0.006","7.105","0.005","11.862","0.008","90","","95.858","0.011","90","","808","0.9","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C23 H13 N O2 -","- C23 H13 N O2 -","- C46 H26 N2 O4 -","2","0.5","","Shivani Mahajan; Sadhika Khullar; Sanjay K. Mandal; Inder Pal Singh","A one-pot, three-component reaction for the synthesis of novel 7-arylbenzo[c]acridine-5,6-diones","Chem.Commun.","2014","50","","10078","","10.1039/C4cc03079F","","","0.71073","MoKα","","0.1184","0.061","","","0.1451","0.1835","","","","","","0.959","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115527","16.9924","0.0007","27.8784","0.0011","26.0023","0.001","90","","97.315","0.003","90","","12217.6","0.8","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H122 N12 O15 Si -","- C90 H122 N12 O15 Si -","- C360 H488 N48 O60 Si4 -","4","1","","Mayumi Kudo; Victor Maurizot; Hyuma Masu; Aya Tanatani; Ivan Huc","Structural elucidation of foldamers with no long range conformational order","Chem.Commun.","2014","50","","10090","","10.1039/C4cc03822C","","","1.54178","CuKα","","0.2309","0.121","","","0.3059","0.3592","","","","","","0.845","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115528","17.1431","0.0012","15.7892","0.0011","14.4285","0.0011","90","","90","","90","","3905.4","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C41 H40 Ga Mo N2 O5 -","- C41 H40 Ga Mo N2 O5 -","- C164 H160 Ga4 Mo4 N8 O20 -","4","0.5","","Igor L. Fedushkin; Vladimir G. Sokolov; Alexander V. Piskunov; Valentine M. Makarov; Eugeny V. Baranov; Gleb A. Abakumov","Adaptive behavior of a redox-active gallium carbenoid in complexes with molybdenum","Chem.Commun.","2014","50","","10108","","10.1039/C4cc04019H","","","0.71073","MoKα","","0.0298","0.0242","","","0.0646","0.0672","","","","","","1.044","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115529","8.82154","0.00013","38.0697","0.0005","11.69917","0.00016","90","","97.2432","0.0013","90","","3897.62","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H45 Ga Mo N2 O3 -","- C44 H45 Ga Mo N2 O3 -","- C176 H180 Ga4 Mo4 N8 O12 -","4","2","","Igor L. Fedushkin; Vladimir G. Sokolov; Alexander V. Piskunov; Valentine M. Makarov; Eugeny V. Baranov; Gleb A. Abakumov","Adaptive behavior of a redox-active gallium carbenoid in complexes with molybdenum","Chem.Commun.","2014","50","","10108","","10.1039/C4cc04019H","","","0.71073","MoKα","","0.0702","0.0499","","","0.0872","0.0937","","","","","","1.016","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115530","12.162","0.0017","12.7895","0.0018","16.926","0.002","72.066","0.002","83.271","0.002","85.462","0.002","2485","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H118 Ga2 Mo2 N4 Na2 O14 -","- C104 H118 Ga2 Mo2 N4 Na2 O14 -","- C104 H118 Ga2 Mo2 N4 Na2 O14 -","1","0.5","","Igor L. Fedushkin; Vladimir G. Sokolov; Alexander V. Piskunov; Valentine M. Makarov; Eugeny V. Baranov; Gleb A. Abakumov","Adaptive behavior of a redox-active gallium carbenoid in complexes with molybdenum","Chem.Commun.","2014","50","","10108","","10.1039/C4cc04019H","","","0.71073","MoKα","","0.0338","0.0282","","","0.0729","0.0754","","","","","","1.036","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115531","9.5236","0.0005","11.7389","0.0008","12.5461","0.0008","62.68","0.003","84.635","0.003","81.559","0.003","1232.12","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","ALI-40-A","","","- C25 H33 B O7 -","- C25 H33 B O7 -","- C50 H66 B2 O14 -","2","1","","Alicia Martos-Redruejo; Ruth Lopez-Duran; Elena Bunuel; Diego J. Cardenas","Ligand-controlled divergent formation of alkenyl- or allylboronates catalyzed by Pd, and synthetic applications","Chem.Commun.","2014","50","","10094","","10.1039/C4cc04092A","","","0.71073","","","0.0787","0.0477","","","0.1441","0.1811","","","","","","1.004","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115532","8.1024","0.0002","13.4762","0.0003","25.6608","0.0005","90","","96.518","0.001","90","","2783.78","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ARL628_RX","","","- C27 H33 B O6 S2 -","- C27 H33 B O6 S2 -","- C108 H132 B4 O24 S8 -","4","1","","Alicia Martos-Redruejo; Ruth Lopez-Duran; Elena Bunuel; Diego J. Cardenas","Ligand-controlled divergent formation of alkenyl- or allylboronates catalyzed by Pd, and synthetic applications","Chem.Commun.","2014","50","","10094","","10.1039/C4cc04092A","","","0.71073","","","0.1082","0.0601","","","0.1482","0.1794","","","","","","1.018","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115533","12.1138","0.001","15.4374","0.0014","22.576","0.002","90","","90","","90","","4221.8","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ALICI-20-A-PM-2","","","- C22 H23 N2 O2 S -","- C22 H23 N2 O2 S -","- C176 H184 N16 O16 S8 -","8","1","","Alicia Martos-Redruejo; Ruth Lopez-Duran; Elena Bunuel; Diego J. Cardenas","Ligand-controlled divergent formation of alkenyl- or allylboronates catalyzed by Pd, and synthetic applications","Chem.Commun.","2014","50","","10094","","10.1039/C4cc04092A","","","0.71073","","","0.0678","0.0463","","","0.1445","0.1733","","","","","","1.011","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115534","9.349","0.002","14.949","0.004","20.583","0.005","106.442","0.004","90.995","0.003","94.554","0.004","2747.9","1.2","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H41 F6 N6 O8 Os P -","- C51 H41 F6 N6 O8 Os P -","- C102 H82 F12 N12 O16 Os2 P2 -","2","1","","Hai-Jing Nie; Jiang-Yang Shao; Chang-Jiang Yao; Yu-Wu Zhong","Organic-inorganic mixed-valence systems with strongly-coupled triarylamine and cyclometalated osmium","Chem.Commun.","2014","50","","10082","","10.1039/C4cc04268A","","","0.71073","MoKα","","0.0426","0.0396","","","0.1002","0.1025","","","","","","1.093","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115535","10.0808","0.0003","12.8064","0.0003","15.1154","0.0003","89.88","0.002","75.473","0.002","75.26","0.002","1822.85","0.08","180","","180","","","","101","","","","","3","P -1","-P 1","2","","","","- C43 H52 O4 -","- C43 H52 O4 -","- C86 H104 O8 -","2","1","","Petr Slavik; Hana Dvorakova; Vaclav Eigner; Pavel Lhotak","Regioselective alkylation of a methylene group via meta-bridging of calix[4]arenes","Chem.Commun.","2014","50","","10112","","10.1039/C4cc04356A","","","1.54184","CuKα","","0.0594","0.0543","","0.145","0.1375","0.145","","","","","","0.9584","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115536","13.22632","0.0001","25.83704","0.00017","20.88126","0.00015","90","","99.786","0.0007","90","","7031.9","0.09","190","","190","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C161 H182 Cl2 O16 -","- C161 H182 Cl2 O16 -","- C322 H364 Cl4 O32 -","2","0.5","","Petr Slavik; Hana Dvorakova; Vaclav Eigner; Pavel Lhotak","Regioselective alkylation of a methylene group via meta-bridging of calix[4]arenes","Chem.Commun.","2014","50","","10112","","10.1039/C4cc04356A","","","1.5418","CuKα","","0.0802","0.0722","","0.1379","0.1299","0.1379","","","","","","1.0443","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115537","12.3671","0.0007","12.635","0.0008","13.8467","0.0009","77.854","0.005","63.909","0.006","80.759","0.005","1894","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H52 N0 O4 -","- C47 H52 O4 -","- C94 H104 O8 -","2","1","","Petr Slavik; Hana Dvorakova; Vaclav Eigner; Pavel Lhotak","Regioselective alkylation of a methylene group via meta-bridging of calix[4]arenes","Chem.Commun.","2014","50","","10112","","10.1039/C4cc04356A","","x-ray","0.71073","MoKα","","0.0714","0.0484","","","0.1201","0.1329","","","","1.77","1.77","1.64","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115538","9.8496","0.0003","12.97","0.0005","14.9932","0.0005","89.965","0.003","77.36","0.003","74.04","0.003","1793.29","0.11","120","","120","","","","101","","","","","3","P -1","-P 1","2","","","","- C43 H50 O4 -","- C43 H50 O4 -","- C86 H100 O8 -","2","1","","Petr Slavik; Hana Dvorakova; Vaclav Eigner; Pavel Lhotak","Regioselective alkylation of a methylene group via meta-bridging of calix[4]arenes","Chem.Commun.","2014","50","","10112","","10.1039/C4cc04356A","","","1.54184","CuKα","","0.0695","0.064","","0.2058","0.1938","0.2058","","","","","","1.0857","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115539","7.9571","0.0003","23.6001","0.0008","13.0293","0.0005","90","","92.124","0.004","90","","2445.07","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 N8 O14 Pd4 -","- C44 H52 N8 O14 Pd4 -","- C88 H104 N16 O28 Pd8 -","2","0.5","","Marina Juribasic; Krunoslav Uzarevic; Davor Gracin; Manda Curic","Mechanochemical C-H bond activation: rapid and regioselective double cyclopalladation monitored by in situ Raman spectroscopy","Chem.Commun.","2014","50","","10287","","10.1039/C4cc04423A","","","0.71073","MoKα","","","0.049","","","","0.1222","","","","","","1.101","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115540","34.577","0.0004","16.50703","0.00016","14.29901","0.00015","90","","97.1631","0.001","90","","8097.66","0.15","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36.5 H42.5 N9.5 O9.5 Pd2 -","- C36.5 H42.5 N9.5 O9.5 Pd2 -","- C292 H340 N76 O76 Pd16 -","8","2","","Marina Juribasic; Krunoslav Uzarevic; Davor Gracin; Manda Curic","Mechanochemical C-H bond activation: rapid and regioselective double cyclopalladation monitored by in situ Raman spectroscopy","Chem.Commun.","2014","50","","10287","","10.1039/C4cc04423A","","x-ray","1.5418","CuKα","","","0.0274","","","","0.0828","","","","","","1.102","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7115541","6.1563","0.0013","8.2068","0.0017","14.895","0.003","90","","100.888","0.003","90","","739","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","","Etienne Pair; Christophe Berini; Romain Noel; Morgane Sanselme; Vincent Levacher; Jean-Francois Briere","Organocatalysed multicomponent synthesis of pyrazolidinones: Meldrum's acid approach","Chem.Commun.","2014","50","","10218","","10.1039/C4cc04852k","","x-ray","0.71073","MoKα","","0.0743","0.0561","","","0.1288","0.1345","","","","","","1.325","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115542","6.137","0.002","8.934","0.003","14.27","0.005","90","","99.976","0.006","90","","770.6","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C16 H19 Br N2 O2 -","- C16 H19 Br N2 O2 -","- C32 H38 Br2 N4 O4 -","2","1","","Etienne Pair; Christophe Berini; Romain Noel; Morgane Sanselme; Vincent Levacher; Jean-Francois Briere","Organocatalysed multicomponent synthesis of pyrazolidinones: Meldrum's acid approach","Chem.Commun.","2014","50","","10218","","10.1039/C4cc04852k","","x-ray","0.71073","MoKα","","0.0529","0.0381","","","0.0817","0.086","","","","","","0.93","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115543","5.8127","0.0007","9.5156","0.0012","11.5873","0.0014","90","","103.442","0.002","90","","623.35","0.13","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C28 H32 N4 O4 -","2","1","","Etienne Pair; Christophe Berini; Romain Noel; Morgane Sanselme; Vincent Levacher; Jean-Francois Briere","Organocatalysed multicomponent synthesis of pyrazolidinones: Meldrum's acid approach","Chem.Commun.","2014","50","","10218","","10.1039/C4cc04852k","","x-ray","0.71073","MoKα","","0.0374","0.0347","","","0.0921","0.0946","","","","","","1.055","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115544","6.56","0.003","16.644","0.007","33.009","0.015","90","","90","","90","","3604","3","293","2","293","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 Br N2 O2 -","- C20 H19 Br N2 O2 -","- C160 H152 Br8 N16 O16 -","8","1","","Etienne Pair; Christophe Berini; Romain Noel; Morgane Sanselme; Vincent Levacher; Jean-Francois Briere","Organocatalysed multicomponent synthesis of pyrazolidinones: Meldrum's acid approach","Chem.Commun.","2014","50","","10218","","10.1039/C4cc04852k","","x-ray","0.71073","MoKα","","0.1382","0.0699","","","0.1575","0.187","","","","","","1.016","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115545","6.0815","0.001","12.774","0.004","21.916","0.005","75.04","0.03","82.36","0.03","87.09","0.03","1630","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","2","","Xue, Pengchong; Yao, Boqi; Sun, Jiabao; Zhang, Zhenqi; Lu, Ran","Emission enhancement of a coplanar π-conjugated gelator without any auxiliary substituents","Chemical Communications (Cambridge, United Kingdom)","2014","50","71","10284","10286","10.1039/c4cc04869e","","","0.71073","MoKα","","0.2584","0.1806","","","0.4853","0.5181","","","","","","1.527","","","","has coordinates","210825","2020-10-21","18:00:00",""
"7115546","10.802","0.002","8.0122","0.0016","31.156","0.006","90","","90","","90","","2696.5","0.9","293","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Xue, Pengchong; Yao, Boqi; Sun, Jiabao; Zhang, Zhenqi; Lu, Ran","Emission enhancement of a coplanar π-conjugated gelator without any auxiliary substituents","Chemical Communications (Cambridge, United Kingdom)","2014","50","71","10284","10286","10.1039/c4cc04869e","","","0.71073","MoKα","","0.0588","0.0437","","","0.121","0.144","","","","","","1.095","","","","has coordinates","210825","2020-10-21","18:00:00",""
"7115547","8.1562","0.0016","14.302","0.003","16.983","0.003","90","","97.22","0.03","90","","1965.4","0.7","293","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N2 O -","- C27 H20 N2 O -","- C108 H80 N8 O4 -","4","1","","Xue, Pengchong; Yao, Boqi; Sun, Jiabao; Zhang, Zhenqi; Lu, Ran","Emission enhancement of a coplanar π-conjugated gelator without any auxiliary substituents","Chemical Communications (Cambridge, United Kingdom)","2014","50","71","10284","10286","10.1039/c4cc04869e","","","0.71073","MoKα","","0.0621","0.0434","","","0.0985","0.1059","","","","","","1.043","","","","has coordinates","210825","2020-10-21","18:00:00",""
"7115548","13.69","0.003","21.558","0.004","6.2444","0.0012","90","","95.33","0.03","90","","1834.9","0.6","293","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O S -","- C23 H18 N2 O S -","- C92 H72 N8 O4 S4 -","4","1","","Xue, Pengchong; Yao, Boqi; Sun, Jiabao; Zhang, Zhenqi; Lu, Ran","Emission enhancement of a coplanar π-conjugated gelator without any auxiliary substituents","Chemical Communications (Cambridge, United Kingdom)","2014","50","71","10284","10286","10.1039/c4cc04869e","","","0.71073","MoKα","","0.0761","0.049","","","0.1214","0.1343","","","","","","1.045","","","","has coordinates","210825","2020-10-21","18:00:00",""
"7115549","3.88126","0.0001","11.643","0.0003","29.5312","0.0008","90","","90","","90","","1334.5","0.06","277","","277","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C80 H48 N8 -","4","1","","Youhei Takeda; Masato Okazaki; Satoshi Minakata","Oxidative skeletal rearrangement of 1,1'-binaphthalene-2,2'-diamines (BINAMs) via C-C bond cleavage and nitrogen migration: a versatile synthesis of U-shaped azaacenes","Chem.Commun.","2014","50","","10291","","10.1039/C4cc04911J","","","1.54187","CuKα","","","0.0503","","","","0.1344","","","","","","1.003","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115550","9.459","0.0003","22.4257","0.0008","9.0101","0.0003","90","","115.656","0.002","90","","1722.83","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F5 N4 O4 S -","- C15 H13 F5 N4 O4 S -","- C60 H52 F20 N16 O16 S4 -","4","1","","Anton Lishchynskyi; Guillaume Berthon; Vladimir V. Grushin","Trifluoromethylation of arenediazonium salts with fluoroform-derived CuCF3 in aqueous media","Chem.Commun.","2014","50","","10237","","10.1039/C4cc04930F","","","0.71073","MoKα","","0.0705","0.0546","","","0.1338","0.1441","","","","","","1.048","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115551","21.4875","0.0009","20.5465","0.0009","21.5438","0.0009","90","","90","","90","","9511.4","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Cl F6 N5 O2 -","- C22 H18 Cl F6 N5 O2 -","- C352 H288 Cl16 F96 N80 O32 -","16","2","","Anton Lishchynskyi; Guillaume Berthon; Vladimir V. Grushin","Trifluoromethylation of arenediazonium salts with fluoroform-derived CuCF3 in aqueous media","Chem.Commun.","2014","50","","10237","","10.1039/C4cc04930F","","","0.71073","MoKα","","0.0783","0.0492","","","0.1227","0.1403","","","","","","1.013","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115552","21.291","0.0012","11.5227","0.0006","14.4085","0.0009","90","","105.162","0.002","90","","3411.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 F3 N O4 -","- C16 H20 F3 N O4 -","- C128 H160 F24 N8 O32 -","8","1","","Anton Lishchynskyi; Guillaume Berthon; Vladimir V. Grushin","Trifluoromethylation of arenediazonium salts with fluoroform-derived CuCF3 in aqueous media","Chem.Commun.","2014","50","","10237","","10.1039/C4cc04930F","","","0.71073","MoKα","","0.076","0.0544","","","0.1368","0.1497","","","","","","1.047","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115553","4.7643","0.0003","12.7324","0.0009","13.8685","0.001","90","","90","","90","","841.28","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H6 F3 N -","- C10 H6 F3 N -","- C40 H24 F12 N4 -","4","1","","Anton Lishchynskyi; Guillaume Berthon; Vladimir V. Grushin","Trifluoromethylation of arenediazonium salts with fluoroform-derived CuCF3 in aqueous media","Chem.Commun.","2014","50","","10237","","10.1039/C4cc04930F","","","0.71073","MoKα","","0.0302","0.0287","","","0.0805","0.0818","","","","","","1.093","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115554","14.3256","0.0014","36.543","0.003","19.3027","0.0018","90","","108.61","0.004","90","","9576.6","1.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H88 F12 N4 O18 P2 -","- C87 H88 F12 N4 O18 P2 -","- C348 H352 F48 N16 O72 P8 -","4","1","","Wei-Bo Hu; Hong-Mei Yang; Wen-Jing Hu; Ming-Liang Ma; Xiao-Li Zhao; Xian-Qiang Mi; Yahu A. Liu; Jiu-Sheng Li; Biao Jiang; Ke Wen","A pillar[5]arene and crown ether fused bicyclic host: synthesis, guest discrimination and simultaneous binding of two guests with different shapes, sizes and electronic constitutions","Chem.Commun.","2014","50","","10460","","10.1039/C4cc01810A","","","0.71073","MoKα","","0.2699","0.103","","","0.2875","0.3624","","","","","","0.902","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115555","6.2955","0.0013","9.3559","0.0019","12.975","0.003","80.69","0.03","89.5","0.03","75.05","0.03","728.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Shaoxia Lin; Ling Li; Fushun Liang; Qun Liu","DABCO-catalyzed ring opening of activated cyclopropanes and recyclization leading to gamma-lactams with an all-carbon quaternary center","Chem.Commun.","2014","50","","10491","","10.1039/C4cc03392B","","","0.71073","MoKα","","0.0898","0.0518","","","0.1086","0.1344","","","","","","1.045","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7115556","14.9729","0.0006","14.7878","0.0006","17.7603","0.0007","90","","90","","90","","3932.4","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H20 Cl2 Dy N3 O8 -","- C13 H20 Cl2 Dy N3 O8 -","- C104 H160 Cl16 Dy8 N24 O64 -","8","1","","Chen, Qi; Meng, Yin-Shan; Zhang, Yi-Quan; Jiang, Shang-Da; Sun, Hao-Ling; Gao, Song","A 1D dysprosium chain with slow magnetic relaxation constructed from a pyridine-N-oxide ligand","Chemical Communications (Cambridge, United Kingdom)","2014","50","72","10434","10437","10.1039/c4cc03536d","","","0.71073","MoKα","","0.0269","0.0207","","","0.0473","0.0497","","","","","","1.068","","","","has coordinates","211017","2020-10-21","18:00:00",""
"7115557","23.4504","0.0004","13.3481","0.0002","20.7646","0.0003","90","","103.285","0.001","90","","6325.76","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H102 N12 O6 Zr3 -","- C48 H102 N12 O6 Zr3 -","- C192 H408 N48 O24 Zr12 -","4","1","","Adam C. Lamb; Zheng Lu; Zi-Ling Xue","Reactions of zirconium amide amidinates with dioxygen. Observation of an unusual peroxo intermediate in the formation of oxo compounds","Chem.Commun.","2014","50","","10517","","10.1039/C4cc04032E","","","0.71073","MoKα","","0.0355","0.0259","","","0.0628","0.066","","","","","","1.054","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115558","7.96","0.0002","6.2115","0.0001","17.0041","0.0003","90","","98.216","0.002","90","","832.11","0.03","259.5","0.9","259.5","0.9","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O4 -","- C16 H18 Br N O4 -","- C32 H36 Br2 N2 O8 -","2","1","","Yi-ning Xuan; Zhen-yu Chen; Ming Yan","An organocatalytic cascade reaction of 2-nitrocyclohexanone and alpha,beta-unsaturated aldehydes with unusual regioselectivity","Chem.Commun.","2014","50","","10471","","10.1039/C4cc04298K","","","1.5418","CuKα","","0.0366","0.0346","","","0.088","0.0915","","","","","","1.047","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115559","12.6852","0.0006","17.3581","0.0006","21.7669","0.0009","104.59","0.003","100.42","0.004","95.616","0.003","4509.7","0.3","170.1","","170.1","","","","","","","","","6","P -1","-P 1","2","","","","- C168 H217 F24 N7 O40 P4 -","- C168 H217 F24 N7 O40 P4 -","- C168 H217 F24 N7 O40 P4 -","1","0.5","","Yujuan Zhou; Zhengtao Li; Xiaodong Chi; Connor Thompson; Yong Yao","Formation of a [2]pseudorotaxane based on a pillar[5]arene and a rigid guest in solution and in the solid state","Chem.Commun.","2014","50","","10482","","10.1039/C4cc04319G","","","0.71073","MoKα","","0.1206","0.0708","","","0.1904","0.2313","","","","","","1.042","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115560","7.5607","0.0004","9.6755","0.0006","11.352","0.001","107.554","0.005","102.789","0.005","103.85","0.004","729.07","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O -","- C19 H17 N O -","- C38 H34 N2 O2 -","2","1","","Anupal Gogoi; Anju Modi; Srimanta Guin; Saroj Kumar Rout; Debapratim Das; Bhisma K. Patel","A metal free domino synthesis of 3-aroylindoles via two sp3 C-H activation","Chem.Commun.","2014","50","","10445","","10.1039/C4cc04407J","","","0.71073","MoKα","","0.0634","0.0487","","","0.1733","0.1981","","","","","","0.932","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115561","9.5509","0.0005","11.2004","0.0005","12.8518","0.0006","66.27","0.001","76.414","0.001","80.581","0.001","1219.66","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Eu N5 O10 -","- C22 H20 Eu N5 O10 -","- C44 H40 Eu2 N10 O20 -","2","1","","Jinlei Chen; Fei-Yan Yi; Hong Yu; Shihui Jiao; Guangsheng Pang; Zhong-Ming Sun","Fast response and highly selective sensing of amine vapors using a luminescent coordination polymer","Chem.Commun.","2014","50","","10506","","10.1039/C4cc04614E","","","0.71073","MoKα","","0.0314","0.0269","","","0.0588","0.0608","","","","","","1.029","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115562","14.9997","0.0006","20.6925","0.0007","26.1024","0.001","105.607","0.0019","100.893","0.002","99.749","0.002","7451.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","cat112","","","- C275 H308 Cl6 I10 Ir4 N20 O25 -","- C275 H298 Cl6 I9.988 Ir4 N20 O21.582 -","- C275 H298 Cl6 I9.988 Ir4 N20 O21.582 -","1","0.5","","Haohua Huo; Chen Fu; Chuanyong Wang; Klaus Harms; Eric Meggers","Metal-templated enantioselective enamine/H-bonding dual activation catalysis","Chem.Commun.","2014","50","","10409","","10.1039/C4cc04636F","","","0.71069","MoKα","","0.098","0.0682","","","0.1616","0.1826","","","","","","1.055","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115563","18.9903","0.0005","12.146","0.0003","26.2415","0.0006","90","","108.147","0.0007","90","","5751.7","0.2","296","2","296","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C27 H31 Br2 N O4 S Si -","- C27 H31 Br2 N O4 S Si -","- C216 H248 Br16 N8 O32 S8 Si8 -","8","2","","Tomoya Miura; Takayuki Nakamuro; Kentaro Hiraga; Masahiro Murakami","The stereoselective synthesis of alpha-amino aldols starting from terminal alkynes","Chem.Commun.","2014","50","","10474","","10.1039/C4cc04786A","","","0.71075","MoKα","","0.0875","0.0552","","","0.132","0.186","","","","","","1.162","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7115564","16.8655","0.0008","16.8655","0.0008","19.6001","0.001","90","","90","","90","","5575.2","0.5","100","2","100","2","","","","","","","","2","P 42/n c m","-P 4ac 2ac","138","C70 bis-anthracene adduct","","","- C98 H20 -","- C98 H20 -","- C392 H80 -","4","","","Venkata S. Pavan K. Neti; Maira R. Ceron; A. Duarte-Ruiz; Marilyn M. Olmstead; Alan L. Balch; Luis Echegoyen","High-yield, regiospecific bis-functionalization of C70 using a Diels-Alder reaction in molten anthracene","Chem.Commun.","2014","50","","10584","","10.1039/C4cc02472A","","","0.7749","synchrotron","","0.063","0.057","","","0.1481","0.1529","","","","","","1.14","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115565","9.6945","0.0002","11.27","0.0003","15.8376","0.0004","92.446","0.001","101.11","0.001","113.846","0.001","1538.92","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H30 N O4 P -","- C39 H30 N O4 P -","- C78 H60 N2 O8 P2 -","2","1","","Jie-Cheng Deng; Chih-Wei Kuo; Shih-Ching Chuang","Nucleophilic conjugate 1,3-addition of phosphines to oligoynoates","Chem.Commun.","2014","50","","10580","","10.1039/C4cc02870H","","","0.71073","MoKα","","0.0482","0.0386","","","0.1119","0.1297","","","","","","1.108","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115566","15.3256","0.0005","9.7698","0.0003","22.1934","0.0008","90","","90.145","0.002","90","","3322.96","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H23 Cl2 F3 N O4 P -","- C39 H23 Cl2 F3 N O4 P -","- C156 H92 Cl8 F12 N4 O16 P4 -","4","1","","Jie-Cheng Deng; Chih-Wei Kuo; Shih-Ching Chuang","Nucleophilic conjugate 1,3-addition of phosphines to oligoynoates","Chem.Commun.","2014","50","","10580","","10.1039/C4cc02870H","","","0.71073","MoKα","","0.0935","0.0715","","","0.1883","0.208","","","","","","1.053","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115567","9.9693","0.001","10.0382","0.001","17.31","0.002","79.783","0.007","89.864","0.006","66.349","0.006","1557.1","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 N O4 P -","- C40 H24 N O4 P -","- C80 H48 N2 O8 P2 -","2","1","","Jie-Cheng Deng; Chih-Wei Kuo; Shih-Ching Chuang","Nucleophilic conjugate 1,3-addition of phosphines to oligoynoates","Chem.Commun.","2014","50","","10580","","10.1039/C4cc02870H","","","0.71073","MoKα","","0.0861","0.0587","","","0.1657","0.1871","","","","","","1.066","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115568","10.2329","0.0002","10.298","0.0002","17.3524","0.0005","97.558","0.001","92.475","0.001","116.557","0.001","1610.67","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 N O4 P -","- C42 H24 N O4 P -","- C84 H48 N2 O8 P2 -","2","1","","Jie-Cheng Deng; Chih-Wei Kuo; Shih-Ching Chuang","Nucleophilic conjugate 1,3-addition of phosphines to oligoynoates","Chem.Commun.","2014","50","","10580","","10.1039/C4cc02870H","","","0.71073","MoKα","","0.1107","0.0626","","","0.1591","0.204","","","","","","1.105","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115569","22.049","0.012","17.219","0.009","25.078","0.013","90","","114.243","0.009","90","","8682","8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H100 B Cr F24 N6 -","- C88 H100 B Cr F24 N6 -","- C352 H400 B4 Cr4 F96 N24 -","4","1","","Jingmei Shen; Glenn P. A. Yap; William E. Barker IV; William E. Geiger; Klaus H. Theopold","An electron transfer series of octahedral chromium complexes containing a redox non-innocent alpha-diimine ligand","Chem.Commun.","2014","50","","10626","","10.1039/C4cc03332A","","","0.71073","MoKα","","0.1335","0.0639","","","0.1347","0.1695","","","","","","1.001","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115570","13.962","0.009","17.728","0.011","26.214","0.016","79.116","0.01","77.828","0.01","70.078","0.01","5915","6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H100 B2 Cl4 Cr F48 N6 -","- C106 H96 B2 Cr F48 N6 -","- C212 H192 B4 Cr2 F96 N12 -","2","1","","Jingmei Shen; Glenn P. A. Yap; William E. Barker IV; William E. Geiger; Klaus H. Theopold","An electron transfer series of octahedral chromium complexes containing a redox non-innocent alpha-diimine ligand","Chem.Commun.","2014","50","","10626","","10.1039/C4cc03332A","","","0.71073","MoKα","","0.2414","0.0936","","","0.2379","0.296","","","","","","1.016","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115571","7.8968","0.0011","31.81","0.004","16.8438","0.0018","90","","105.408","0.005","90","","4079","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 N4 O6 -","- C52 H42 N4 O6 -","- C208 H168 N16 O24 -","4","1","","Lankani P. Wijesinghe; Buddhie S. Lankage; Gearoid M. O Maille; Sarath D. Perera; Deanne Nolan; Longsheng Wang; Sylvia M. Draper","Methoxy functionalisation: exerting synthetic control of the supramolecular and electronic structure of nitrogen-doped nanographenes","Chem.Commun.","2014","50","","10637","","10.1039/C4cc03577A","","","0.71073","MoKα","","0.1329","0.114","","","0.2646","0.275","","","","","","1.171","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7115572","13.586","0.012","11.951","0.011","31.96","0.03","90","","94.14","0.02","90","","5176","8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H54 N4 O6 -","- C52 H54 N4 O6 -","- C208 H216 N16 O24 -","4","1","","Lankani P. Wijesinghe; Buddhie S. Lankage; Gearoid M. O Maille; Sarath D. Perera; Deanne Nolan; Longsheng Wang; Sylvia M. Draper","Methoxy functionalisation: exerting synthetic control of the supramolecular and electronic structure of nitrogen-doped nanographenes","Chem.Commun.","2014","50","","10637","","10.1039/C4cc03577A","","","0.71073","MoKα","","0.1796","0.0732","","","0.1673","0.2082","","","","","","0.912","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115573","17.8254","0.0006","10.8398","0.0004","29.3462","0.0009","90","","124.42","0.002","90","","4677.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H54 Cl0 Fe0 N2 O3 -","- C59 H54 N2 O3 -","- C236 H216 N8 O12 -","4","1","","Lankani P. Wijesinghe; Buddhie S. Lankage; Gearoid M. O Maille; Sarath D. Perera; Deanne Nolan; Longsheng Wang; Sylvia M. Draper","Methoxy functionalisation: exerting synthetic control of the supramolecular and electronic structure of nitrogen-doped nanographenes","Chem.Commun.","2014","50","","10637","","10.1039/C4cc03577A","","","1.54178","CuKα","","0.0802","0.0681","","","0.1911","0.2003","","","","","","1.087","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115574","15.899","0.004","7.627","0.002","7.344","0.0019","90","","100.075","0.004","90","","876.8","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 Br Cu O4 P S -","- C4 H4 Br Cu O4 P S -","- C16 H16 Br4 Cu4 O16 P4 S4 -","4","1","","Wei-Xuan Nie; Song-Song Bao; Dai Zeng; Li-Rong Guo; Li-Min Zheng","Exfoliated layered copper phosphonate showing enhanced adsorption capability towards Pb ions","Chem.Commun.","2014","50","","10622","","10.1039/C4cc03774J","","","0.71073","MoKα","","0.0632","0.0591","","","0.1549","0.1572","","","","","","1.001","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115575","12.994","0.0004","12.4469","0.0004","18.4353","0.0006","90","","95.132","0.002","90","","2969.68","0.16","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H74 F2 O4 Yb2 -","- C74 H74 F2 O4 Yb2 -","- C148 H148 F4 O8 Yb4 -","2","0.5","","G. B. Deacon; F. Jaroschik; P. C. Junk; R. P. Kelly","A divalent heteroleptic lanthanoid fluoride complex stabilised by the tetraphenylcyclopentadienyl ligand, arising from C-F activation of pentafluorobenzene","Chem.Commun.","2014","50","","10655","","10.1039/C4cc04427D","","","0.71073","MoKα","","0.0357","0.0264","","","0.0594","0.0639","","","","","","1.022","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115576","10.272","0.002","40.41","0.008","11.14","0.002","90","","105.41","0.03","90","","4457.9","1.6","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 O Yb -","- C62 H50 O Yb -","- C248 H200 O4 Yb4 -","4","1","","G. B. Deacon; F. Jaroschik; P. C. Junk; R. P. Kelly","A divalent heteroleptic lanthanoid fluoride complex stabilised by the tetraphenylcyclopentadienyl ligand, arising from C-F activation of pentafluorobenzene","Chem.Commun.","2014","50","","10655","","10.1039/C4cc04427D","","","0.71073","Synchrotron","","0.0461","0.0458","","","0.1083","0.1084","","","","","","1.31","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115577","12.2811","0.0002","12.5617","0.0002","26.9413","0.0005","90","","100.943","0.0007","90","","4080.69","0.12","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 B Cl2 N5 O2 Pt -","- C50 H38 B Cl2 N5 O2 Pt -","- C200 H152 B4 Cl8 N20 O8 Pt4 -","4","1","","Ryo Sekiya; Yusuke Tsutsui; Wookjin Choi; Tsuneaki Sakurai; Shu Seki; Yuya Bandoa; Hiromitsu Maeda","Ion-based assemblies of planar anion complexes and cationic PtII complexes","Chem.Commun.","2014","50","","10615","","10.1039/C4cc04565C","","","1.54187","CuKα","","0.0731","0.0562","","","0.1263","0.1399","","","","","","1.017","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115578","9.1608","0.0008","7.6873","0.0005","14.6054","0.0011","90","","103.05","0.007","90","","1001.98","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","1","","Li Xu; Xue-Qing Mou; Zhi-Min Chen; Shao-Hua Wang","Copper-catalyzed intermolecular azidocyanation of aryl alkenes","Chem.Commun.","2014","50","","10676","","10.1039/C4cc04640D","","","0.71","MoKα","","0.0784","0.0562","","","0.1275","0.1443","","","","","","1.13","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115579","12.208","0.002","9.4997","0.0019","19.3","0.007","90","","109.62","0.03","90","","2108.3","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 -","- C28 H22 N2 -","- C112 H88 N8 -","4","1","","Ying Xie; Tengfei Chen; Shaomin Fu; Xing-Shu Li; Yuanfu Deng; Huanfeng Jiang; Wei Zeng","Pd-Catalyzed [3+2] cycloaddition of ketoimines with alkynes via directed sp3 C-H bond activation","Chem.Commun.","2014","50","","10699","","10.1039/C4cc04676E","","","0.71073","MoKα","","0.1203","0.0737","","","0.2221","0.2584","","","","","","1.092","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115580","7.9603","0.0005","25.1844","0.0015","12.0025","0.0007","90","","104.539","0.001","90","","2329.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C H Cl N O -","- C2.93333 H1.46667 Cl0.266667 N0.666667 O1.33333 -","- C88 H44 Cl8 N20 O40 -","30","15","","Jun-Hui Xu; Jian-Ping Wei; Zheng Hao; Qing-Guo Ma; Xin-Hua Peng","Highly double selective nitration of nitrostilbenes over zeolite","Chem.Commun.","2014","50","","10710","","10.1039/C4cc04688A","","","0.71073","MoKα","","0.0439","0.0374","","","0.1023","0.1089","","","","","","0.591","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115581","24.48","0.02","8.379","0.006","11.878","0.009","90","","106.275","0.014","90","","2339","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 N5 O10 -","- C24 H17 N5 O10 -","- C96 H68 N20 O40 -","4","0.5","","Jun-Hui Xu; Jian-Ping Wei; Zheng Hao; Qing-Guo Ma; Xin-Hua Peng","Highly double selective nitration of nitrostilbenes over zeolite","Chem.Commun.","2014","50","","10710","","10.1039/C4cc04688A","","","0.71073","MoKα","","0.1074","0.0606","","","0.1466","0.1651","","","","","","1.04","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115584","7.7542","0.0007","12.7074","0.0009","17.2355","0.0015","90","","102.159","0.009","90","","1660.2","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Li N3 -","- C14 H30 Li N3 -","- C56 H120 Li4 N12 -","4","1","","Kennedy, Alan R.; Leenhouts, Sarah M.; Liggat, John J.; Martínez-Martínez, Antonio J.; Miller, Kimberley; Mulvey, Robert E.; O'Hara, Charles T.; O'Keefe, Philip; Steven, Alan","Dehydromethylation of alkali metal salts of the utility amide 2,2,6,6-tetramethylpiperidide (TMP)","Chemical Communications (Cambridge, United Kingdom)","2014","50","73","10588","10591","10.1039/c4cc04959d","","","0.71073","MoKα","","0.1029","0.0604","","","0.1126","0.1295","","","","","","1.074","","","","has coordinates","210823","2020-10-21","18:00:00",""
"7115585","10.7005","0.0003","15.6464","0.0005","19.4063","0.0007","90","","90","","90","","3249.09","0.18","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H60 N6 Na2 -","- C28 H60 N6 Na2 -","- C112 H240 N24 Na8 -","4","0.5","","Kennedy, Alan R.; Leenhouts, Sarah M.; Liggat, John J.; Martínez-Martínez, Antonio J.; Miller, Kimberley; Mulvey, Robert E.; O'Hara, Charles T.; O'Keefe, Philip; Steven, Alan","Dehydromethylation of alkali metal salts of the utility amide 2,2,6,6-tetramethylpiperidide (TMP)","Chemical Communications (Cambridge, United Kingdom)","2014","50","73","10588","10591","10.1039/c4cc04959d","","","1.54184","CuKα","","0.0705","0.0527","","","0.1453","0.156","","","","","","1.079","","","","has coordinates","210823","2020-10-21","18:00:00",""
"7115586","18.0666","0.0013","21.1169","0.0015","22.2584","0.0015","90","","90","","90","","8491.8","1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Br F2 N O3 S2 -","- C18 H18 Br F2 N O3 S2 -","- C288 H288 Br16 F32 N16 O48 S32 -","16","4","","Wenchao Ye; Laijun Zhang; Chuanfa Ni; Jian Rong; Jinbo Hu","Stereoselective [3+2] cycloaddition of N-tert-butanesulfinyl imines to arynes facilitated by a removable PhSO2CF2 group: synthesis and transformation of cyclic sulfoximines","Chem.Commun.","2014","50","","10596","","10.1039/C4cc05042H","","","0.71073","MoKα","","0.2145","0.0515","","","0.0997","0.1397","","","","","","0.864","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115587","8.7675","0.0012","10.5238","0.0014","18.173","0.002","90","","90","","90","","1676.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F2 N O S -","- C18 H18 F2 N O S -","- C72 H72 F8 N4 O4 S4 -","4","1","","Wenchao Ye; Laijun Zhang; Chuanfa Ni; Jian Rong; Jinbo Hu","Stereoselective [3+2] cycloaddition of N-tert-butanesulfinyl imines to arynes facilitated by a removable PhSO2CF2 group: synthesis and transformation of cyclic sulfoximines","Chem.Commun.","2014","50","","10596","","10.1039/C4cc05042H","","","0.71073","MoKα","","0.0858","0.0545","","","0.1057","0.1171","","","","","","0.859","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115588","10.0872","0.0009","14.0488","0.0012","16.2483","0.0014","90","","90","","90","","2302.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 F2 N O3 S2 -","- C24 H23 F2 N O3 S2 -","- C96 H92 F8 N4 O12 S8 -","4","1","","Wenchao Ye; Laijun Zhang; Chuanfa Ni; Jian Rong; Jinbo Hu","Stereoselective [3+2] cycloaddition of N-tert-butanesulfinyl imines to arynes facilitated by a removable PhSO2CF2 group: synthesis and transformation of cyclic sulfoximines","Chem.Commun.","2014","50","","10596","","10.1039/C4cc05042H","","","0.71073","MoKα","","0.0508","0.0405","","","0.0786","0.0824","","","","","","0.937","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115589","7.5255","0.0018","3.9957","0.001","19.305","0.005","90","","95.045","0.004","90","","578.2","0.3","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H8 Br N O S -","- C13 H8 Br N O S -","- C26 H16 Br2 N2 O2 S2 -","2","1","","Wenchao Ye; Laijun Zhang; Chuanfa Ni; Jian Rong; Jinbo Hu","Stereoselective [3+2] cycloaddition of N-tert-butanesulfinyl imines to arynes facilitated by a removable PhSO2CF2 group: synthesis and transformation of cyclic sulfoximines","Chem.Commun.","2014","50","","10596","","10.1039/C4cc05042H","","","0.71073","MoKα","","0.0254","0.0245","","","0.0654","0.0658","","","","","","1.211","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115590","9.9519","0.0004","10.2705","0.0004","15.1165","0.0006","90","","90","","90","","1545.07","0.11","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F2 N O S -","- C16 H17 F2 N O S -","- C64 H68 F8 N4 O4 S4 -","4","1","","Wenchao Ye; Laijun Zhang; Chuanfa Ni; Jian Rong; Jinbo Hu","Stereoselective [3+2] cycloaddition of N-tert-butanesulfinyl imines to arynes facilitated by a removable PhSO2CF2 group: synthesis and transformation of cyclic sulfoximines","Chem.Commun.","2014","50","","10596","","10.1039/C4cc05042H","","","0.71073","MoKα","","0.0241","0.0237","","","0.0636","0.0639","","","","","","1.05","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115591","8.5124","0.0011","14.4301","0.0019","22.503","0.003","90","","90","","90","","2764.2","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H22 Br F2 N O3 S2 -","- C31 H22 Br F2 N O3 S2 -","- C124 H88 Br4 F8 N4 O12 S8 -","4","1","","Wenchao Ye; Laijun Zhang; Chuanfa Ni; Jian Rong; Jinbo Hu","Stereoselective [3+2] cycloaddition of N-tert-butanesulfinyl imines to arynes facilitated by a removable PhSO2CF2 group: synthesis and transformation of cyclic sulfoximines","Chem.Commun.","2014","50","","10596","","10.1039/C4cc05042H","","","0.71073","MoKα","","0.1596","0.047","","","0.0677","0.0908","","","","","","0.872","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115592","9.876","0.002","11.292","0.002","16.818","0.003","90","","92.78","0.03","90","","1873.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Br N O3 S -","- C21 H16 Br N O3 S -","- C84 H64 Br4 N4 O12 S4 -","4","1","","Wenchao Ye; Laijun Zhang; Chuanfa Ni; Jian Rong; Jinbo Hu","Stereoselective [3+2] cycloaddition of N-tert-butanesulfinyl imines to arynes facilitated by a removable PhSO2CF2 group: synthesis and transformation of cyclic sulfoximines","Chem.Commun.","2014","50","","10596","","10.1039/C4cc05042H","","","1.54178","CuKα","","0.0419","0.0398","","","0.0985","0.1002","","","","","","1.046","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115593","26.342","0.005","19.322","0.004","18.311","0.004","90","","110.59","0.03","90","","8725","4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-methyl-N-(4-oxospiro[cyclohexa[2,5]diene-1,1'-inden]-2'-yl)-N-phenylbenzenesulfonamide","","- C27 H21 N O3 S -","- C27 H21 N O3 S -","- C432 H336 N16 O48 S16 -","16","4","","Fei Pan; Shuang Liu; Chao Shu; Rong-Kun Lin; Yong-Fei Yu; Jin-Mei Zhou; Long-Wu Ye","Gold-catalyzed intermolecular oxidation of o-alkynylbiaryls: an easy and practical access to functionalized fluorenes","Chem.Commun.","2014","50","","10726","","10.1039/C4cc05115G","","","0.71073","MoKα","","0.1044","0.0585","","","0.1457","0.2004","","","","","","1.175","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115594","13.42933","0.0001","18.87158","0.00014","27.7213","0.0002","77.2224","0.0006","88.4024","0.0006","77.9371","0.0006","6698.97","0.09","180","2","180.15","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H66 B F24 Ir N P -","- C68 H66 B F24 Ir N P -","- C272 H264 B4 F96 Ir4 N4 P4 -","4","2","","Nicolas Humbert; Devendra J. Vyas; Celine Besnard; Clement Mazet","An air-stable cationic iridium hydride as a highly active and general catalyst for the isomerization of terminal epoxides","Chem.Commun.","2014","50","","10592","","10.1039/C4cc05260A","","","0.7107","MoKα","","0.0624","0.0591","","","0.1641","0.1674","","","","","","1.047","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115595","8.0777","0.0005","8.1703","0.0005","17.9004","0.0011","83.481","0.002","87.961","0.002","67.919","0.002","1087.62","0.12","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N2 S2 Se -","- C28 H18 N2 S2 Se -","- C56 H36 N4 S4 Se2 -","2","1","","Ann Christin Jahnke; Mariana Spulber; Markus Neuburger; Cornelia G. Palivan; Oliver S. Wenger","Electronic coupling mediated by furan, thiophene, selenophene and tellurophene in a homologous series of organic mixed valence compounds","Chem.Commun.","2014","50","","10883","","10.1039/C4cc03806A","","","1.54178","CuKα","","0.0239","0.0239","","0.0254","0.0253","0.0253","","","","","","1.0649","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115596","11.785","0.002","5.7638","0.0012","16.482","0.003","90","","102.47","0.03","90","","1093.2","0.4","108","2","108","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 F N3 O -","- C12 H10 F N3 O -","- C48 H40 F4 N12 O4 -","4","1","","Komala Pandurangan; Jonathan A. Kitchen; Salvador Blasco; Francesca Paradisi; Thorfinnur Gunnlaugsson","Supramolecular pyridyl urea gels as soft matter with antibacterial properties against MRSA and/or E. coli","Chem.Commun.","2014","50","","10819","","10.1039/C4cc04028G","","","0.71073","MoKα","","0.0523","0.0436","","","0.1451","0.1893","","","","","","1.156","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115597","10.484","0.002","5.4019","0.0011","19.491","0.004","90","","104.37","0.03","90","","1069.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 F2 N3 O -","- C12 H9 F2 N3 O -","- C48 H36 F8 N12 O4 -","4","1","","Komala Pandurangan; Jonathan A. Kitchen; Salvador Blasco; Francesca Paradisi; Thorfinnur Gunnlaugsson","Supramolecular pyridyl urea gels as soft matter with antibacterial properties against MRSA and/or E. coli","Chem.Commun.","2014","50","","10819","","10.1039/C4cc04028G","","","0.71073","MoKα","","0.0608","0.0547","","","0.1935","0.2188","","","","","","1.18","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115598","6.9066","0.0014","7.942","0.0016","11.37","0.002","81.16","0.03","87.98","0.03","67.14","0.03","567.7","0.2","119","2","119","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N4 O3 -","- C12 H10 N4 O3 -","- C24 H20 N8 O6 -","2","1","","Komala Pandurangan; Jonathan A. Kitchen; Salvador Blasco; Francesca Paradisi; Thorfinnur Gunnlaugsson","Supramolecular pyridyl urea gels as soft matter with antibacterial properties against MRSA and/or E. coli","Chem.Commun.","2014","50","","10819","","10.1039/C4cc04028G","","","0.71073","MoKα","","0.0665","0.0517","","","0.1614","0.2154","","","","","","1.241","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115599","4.5349","0.0009","11.591","0.002","10.686","0.002","90","","98.22","0.03","90","","555.93","0.18","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C12 H10 F N3 O -","- C12 H10 F N3 O -","- C24 H20 F2 N6 O2 -","2","1","","Komala Pandurangan; Jonathan A. Kitchen; Salvador Blasco; Francesca Paradisi; Thorfinnur Gunnlaugsson","Supramolecular pyridyl urea gels as soft matter with antibacterial properties against MRSA and/or E. coli","Chem.Commun.","2014","50","","10819","","10.1039/C4cc04028G","","","0.71073","MoKα","","0.0825","0.0774","","","0.2479","0.267","","","","","","1.211","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115600","3.7683","0.0008","27.238","0.005","10.409","0.002","90","","97.29","0.03","90","","1059.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F2 N3 O -","- C12 H9 F2 N3 O -","- C48 H36 F8 N12 O4 -","4","1","","Komala Pandurangan; Jonathan A. Kitchen; Salvador Blasco; Francesca Paradisi; Thorfinnur Gunnlaugsson","Supramolecular pyridyl urea gels as soft matter with antibacterial properties against MRSA and/or E. coli","Chem.Commun.","2014","50","","10819","","10.1039/C4cc04028G","","","0.71073","MoKα","","0.084","0.0587","","","0.1948","0.2471","","","","","","1.29","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115601","11.9799","0.0018","7.3695","0.0013","25.427","0.004","90","","90","","90","","2244.8","0.6","107","2","107","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N4 O3 -","- C12 H10 N4 O3 -","- C96 H80 N32 O24 -","8","1","","Komala Pandurangan; Jonathan A. Kitchen; Salvador Blasco; Francesca Paradisi; Thorfinnur Gunnlaugsson","Supramolecular pyridyl urea gels as soft matter with antibacterial properties against MRSA and/or E. coli","Chem.Commun.","2014","50","","10819","","10.1039/C4cc04028G","","","1.54178","CuKα","","0.0407","0.0354","","","0.0875","0.0921","","","","","","1.092","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115602","8.9104","0.0003","9.9683","0.0003","13.1855","0.0004","91.865","0.002","92.788","0.002","91.591","0.002","1168.65","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","KP121","","","- C12 H11 F2 N3 O2 -","- C12 H11 F2 N3 O2 -","- C48 H44 F8 N12 O8 -","4","2","","Komala Pandurangan; Jonathan A. Kitchen; Salvador Blasco; Francesca Paradisi; Thorfinnur Gunnlaugsson","Supramolecular pyridyl urea gels as soft matter with antibacterial properties against MRSA and/or E. coli","Chem.Commun.","2014","50","","10819","","10.1039/C4cc04028G","","","0.71073","MoKα","","0.094","0.0485","","","0.1131","0.1276","","","","","","1.02","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115603","8.1756","0.0016","14.365","0.003","11.375","0.002","90","","92.01","0.03","90","","1335.1","0.4","162","2","162","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C52 H56 N16 O16 -","4","1","","Komala Pandurangan; Jonathan A. Kitchen; Salvador Blasco; Francesca Paradisi; Thorfinnur Gunnlaugsson","Supramolecular pyridyl urea gels as soft matter with antibacterial properties against MRSA and/or E. coli","Chem.Commun.","2014","50","","10819","","10.1039/C4cc04028G","","","0.71073","MoKα","","0.0358","0.0353","","","0.0918","0.0921","","","","","","1.063","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115604","14.5029","0.0012","12.713","0.0011","14.3436","0.0012","90","","116.799","0.002","90","","2360.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F3 N3 O -","- C13 H10 F3 N3 O -","- C104 H80 F24 N24 O8 -","8","2","","Komala Pandurangan; Jonathan A. Kitchen; Salvador Blasco; Francesca Paradisi; Thorfinnur Gunnlaugsson","Supramolecular pyridyl urea gels as soft matter with antibacterial properties against MRSA and/or E. coli","Chem.Commun.","2014","50","","10819","","10.1039/C4cc04028G","","","0.71073","MoKα","","0.1402","0.0738","","","0.1897","0.2098","","","","","","1.249","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115605","10.3845","0.0009","10.7053","0.0009","27.4","0.003","84.153","0.004","89.737","0.005","64.833","0.003","2740","0.5","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H26 Cu F36 N4 O6 -","- C46 H26 Cu F36 N4 O6 -","- C92 H52 Cu2 F72 N8 O12 -","2","1","","Hyung Joon Jeon; Ryotaro Matsuda; Prakash Kanoo; Hiroshi Kajiro; Liangchun Li; Hiroshi Sato; Yongtai Zheng; Susumu Kitagawa","The densely fluorinated nanospace of a porous coordination polymer composed of perfluorobutyl-functionalized ligands","Chem.Commun.","2014","50","","10861","","10.1039/C4cc04505J","","","0.71075","MoKα","","0.0517","0.0409","","","0.1072","0.1164","","","","","","1.069","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115606","15.709","0.003","8.4319","0.0016","12.274","0.002","90","","96.34","0.02","90","","1615.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","","Zhi-Min Chen; Zhen Zhang; Yong-Qiang Tu; Ming-Hui Xu; Fu-Min Zhang; Chen-Chen Li; Shao-Hua Wang","A Mn(III)/TEMPO-co-mediated tandem azidation-1,2-carbon migration reaction of allylic silyl ethers","Chem.Commun.","2014","50","","10805","","10.1039/C4cc04707A","","","0.71073","MoKα","","0.0962","0.0597","","","0.1352","0.1694","","","","","","1.052","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115607","8.7189","0.0003","9.066","0.0004","27.8157","0.0013","90","","91.003","0.004","90","","2198.37","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N6 O2 Si -","- C21 H26 N6 O2 Si -","- C84 H104 N24 O8 Si4 -","4","1","","Zhi-Min Chen; Zhen Zhang; Yong-Qiang Tu; Ming-Hui Xu; Fu-Min Zhang; Chen-Chen Li; Shao-Hua Wang","A Mn(III)/TEMPO-co-mediated tandem azidation-1,2-carbon migration reaction of allylic silyl ethers","Chem.Commun.","2014","50","","10805","","10.1039/C4cc04707A","","","0.71073","MoKα","","0.0912","0.0545","","","0.1121","0.1314","","","","","","1.036","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115608","8.6242","0.0013","10.2987","0.0012","10.3691","0.0014","61.409","0.013","80.7","0.012","86.903","0.011","797.7","0.2","294.52","0.1","294.52","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C36 H34 N6 O4 -","2","1","","Zhi-Min Chen; Zhen Zhang; Yong-Qiang Tu; Ming-Hui Xu; Fu-Min Zhang; Chen-Chen Li; Shao-Hua Wang","A Mn(III)/TEMPO-co-mediated tandem azidation-1,2-carbon migration reaction of allylic silyl ethers","Chem.Commun.","2014","50","","10805","","10.1039/C4cc04707A","","","0.71073","MoKα","","0.0963","0.0567","","","0.1392","0.1729","","","","","","1.063","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115609","13.637","0.007","13.749","0.007","12.866","0.007","90","","111.745","0.008","90","","2241","2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N O6 -","- C24 H25 N O6 -","- C96 H100 N4 O24 -","4","1","","Thangavel Selvia; Kannupal Srinivasan","Synthesis of 2,4,5-trisubstituted oxazoles through tin(IV) chloride-mediated reaction of trans-2-aryl-3-nitro-cyclopropane-1,1-dicarboxylates with nitriles","Chem.Commun.","2014","50","","10845","","10.1039/C4cc04764H","","","0.71073","MoKα","","0.0758","0.0573","","","0.1877","0.2115","","","","","","0.972","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115610","8.25","0.005","14.764","0.005","19.582","0.005","88.932","0.005","89.487","0.005","74.757","0.005","2300.8","1.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 N4 Pd -","- C28 H30 N4 Pd -","- C112 H120 N16 Pd4 -","4","2","","M. G. Derry Holaday; Gourav Tarafdar; B. Adinarayana; M. L. P. Reddy; A. Srinivasan","Chemodosimetric cyanide sensing in a 5,15-porphodimethene Pd(II) complex","Chem.Commun.","2014","50","","10584","","10.1039/C4cc04775C","","","0.71073","MoKα","","0.0967","0.0493","","","0.0908","0.107","","","","","","1.002","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7115611","10.1802","0.0005","10.4053","0.0005","13.1475","0.0006","90.7253","0.0019","108.201","0.0017","106.189","0.0019","1262.93","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 F N O3 -","- C15 H12 F N O3 -","- C60 H48 F4 N4 O12 -","4","2","","Aditi P. Chavannavar; Allen G. Oliver; Brandon L. Ashfeld","An umpolung approach toward N-aryl nitrone construction: a phosphine-mediated addition of 1,2-dicarbonyls to nitroso electrophiles","Chem.Commun.","2014","50","","10853","","10.1039/C4cc05044D","","","0.71073","MoKα","","0.0469","0.035","","","0.088","0.0947","","","","","","1.037","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115612","8.081","0.0008","8.7266","0.0008","15.7699","0.0015","79.849","0.002","79.048","0.002","79.265","0.002","1061.23","0.18","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H30 Cl Ir N O3 P -","- C19 H30 Cl Ir N O3 P -","- C38 H60 Cl2 Ir2 N2 O6 P2 -","2","1","","Xiangqing Jia; Lei Zhang; Chuan Qin; Xuebing Leng; Zheng Huang","Iridium complexes of new NCP pincer ligands: catalytic alkane dehydrogenation and alkene isomerization","Chem.Commun.","2014","50","","11056","","10.1039/C3cc46851H","","","0.71073","MoKα","","0.0311","0.0251","","","0.0594","0.0611","","","","","","1.087","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115613","10.1303","0.001","13.77","0.0014","15.004","0.0015","90","","105.782","0.002","90","","2014.1","0.3","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl Ir N O P -","- C20 H28 Cl Ir N O P -","- C80 H112 Cl4 Ir4 N4 O4 P4 -","4","1","","Xiangqing Jia; Lei Zhang; Chuan Qin; Xuebing Leng; Zheng Huang","Iridium complexes of new NCP pincer ligands: catalytic alkane dehydrogenation and alkene isomerization","Chem.Commun.","2014","50","","11056","","10.1039/C3cc46851H","","","0.71073","MoKα","","0.0312","0.0221","","","0.0511","0.0544","","","","","","0.989","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115614","15.6237","0.0015","16.1007","0.0016","9.9759","0.001","90","","90","","90","","2509.5","0.4","133","2","133","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C26 H37 Cl Ir N O P -","- C26 H37 Cl Ir N O P -","- C104 H148 Cl4 Ir4 N4 O4 P4 -","4","1","","Xiangqing Jia; Lei Zhang; Chuan Qin; Xuebing Leng; Zheng Huang","Iridium complexes of new NCP pincer ligands: catalytic alkane dehydrogenation and alkene isomerization","Chem.Commun.","2014","50","","11056","","10.1039/C3cc46851H","","","0.71073","MoKα","","0.0327","0.0263","","","0.0507","0.0528","","","","","","0.88","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115615","11.4765","0.0005","14.79","","21.9149","0.0015","93.494","0.008","105.09","","110.393","0.007","3318.8","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H101 N2 O5 Yb -","- C66 H54 N2 O5 Yb -","- C132 H108 N4 O10 Yb2 -","2","1","","Jie Qin; Peng Wang; Qingyan Li; Yong Zhang; Dan Yuan; Yingming Yao","Catalytic production of cyclic carbonates mediated by lanthanide phenolates under mild conditions","Chem.Commun.","2014","50","","10952","","10.1039/C4cc02065K","","","0.71075","MoKα","","0.1292","0.1001","","","0.1974","0.2169","","","","","","1.146","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115616","11.6333","0.0004","15.0256","0.0004","21.5946","0.0008","94.787","0.008","104.996","0.008","111.655","0.009","3320.8","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H101 N2 O5 Y -","- C66 H54 N2 O5 Y -","- C132 H108 N4 O10 Y2 -","2","1","","Jie Qin; Peng Wang; Qingyan Li; Yong Zhang; Dan Yuan; Yingming Yao","Catalytic production of cyclic carbonates mediated by lanthanide phenolates under mild conditions","Chem.Commun.","2014","50","","10952","","10.1039/C4cc02065K","","","0.71075","MoKα","","0.1933","0.1248","","","0.2897","0.3333","","","","","","1.096","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115617","13.8842","0.001","20.6892","0.0017","22.5022","0.0015","90","","91.478","0.002","90","","6461.7","0.8","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H101 N2 O5 Sm -","- C66 H101 N2 O5 Sm -","- C264 H404 N8 O20 Sm4 -","4","1","","Jie Qin; Peng Wang; Qingyan Li; Yong Zhang; Dan Yuan; Yingming Yao","Catalytic production of cyclic carbonates mediated by lanthanide phenolates under mild conditions","Chem.Commun.","2014","50","","10952","","10.1039/C4cc02065K","","","0.71075","MoKα","","0.1106","0.0899","","","0.1488","0.1585","","","","","","1.154","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115618","11.57","0.0009","13.0084","0.0009","24.217","0.002","80.278","0.005","84.826","0.005","74.115","0.005","3451.6","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H109 N2 Nd O6 -","- C70 H101 N2 Nd O6 -","- C140 H202 N4 Nd2 O12 -","2","1","","Jie Qin; Peng Wang; Qingyan Li; Yong Zhang; Dan Yuan; Yingming Yao","Catalytic production of cyclic carbonates mediated by lanthanide phenolates under mild conditions","Chem.Commun.","2014","50","","10952","","10.1039/C4cc02065K","","","0.71075","MoKα","","0.068","0.0585","","","0.1513","0.1606","","","","","","1.1","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115619","12.656","0.002","12.875","0.002","16.048","0.003","72.271","0.003","84.227","0.003","63.603","0.003","2229.2","0.7","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C120 H106 O4 -","- C120 H106 O4 -","- C120 H106 O4 -","1","0.5","","Akinobu Matsumoto; Mitsuharu Suzuki; Daiki Kuzuhara; Junpei Yuasa; Tsuyoshi Kawai; Naoki Aratani","A kinetically protected pyrene: molecular design, bright blue emission in the crystalline state and aromaticity relocation in its dicationic species","Chem.Commun.","2014","50","","10956","","10.1039/C4cc03645J","","","0.71073","MoKα","","0.1348","0.0798","","","0.2054","0.2467","","","","","","1.027","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115620","22.3697","0.0012","23.8656","0.0014","59.021","0.004","90","","90","","90","","31509","3","103","2","103","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C144 H122 O8 -","- C144 H122 O8 -","- C1152 H976 O64 -","8","0.25","","Akinobu Matsumoto; Mitsuharu Suzuki; Daiki Kuzuhara; Junpei Yuasa; Tsuyoshi Kawai; Naoki Aratani","A kinetically protected pyrene: molecular design, bright blue emission in the crystalline state and aromaticity relocation in its dicationic species","Chem.Commun.","2014","50","","10956","","10.1039/C4cc03645J","","","0.71075","MoKα","","0.2317","0.1258","","","0.3171","0.3914","","","","","","1.129","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115621","42.2144","0.0008","8.82075","0.00016","23.4233","0.0005","90","","117.273","0.0007","90","","7752.3","0.3","103","","103","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C92 H74 O4 -","- C92 H74 O4 -","- C368 H296 O16 -","4","0.5","","Akinobu Matsumoto; Mitsuharu Suzuki; Daiki Kuzuhara; Junpei Yuasa; Tsuyoshi Kawai; Naoki Aratani","A kinetically protected pyrene: molecular design, bright blue emission in the crystalline state and aromaticity relocation in its dicationic species","Chem.Commun.","2014","50","","10956","","10.1039/C4cc03645J","","","0.71075","MoKα","","","0.0613","","","","0.1852","","","","","","1.054","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115622","12.2939","0.0004","10.7476","0.0004","15.7067","0.0005","90","","109.673","0.001","90","","1954.19","0.12","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 B4 O8 -","- C40 H54 B4 O8 -","- C80 H108 B8 O16 -","2","0.5","","Akinobu Matsumoto; Mitsuharu Suzuki; Daiki Kuzuhara; Junpei Yuasa; Tsuyoshi Kawai; Naoki Aratani","A kinetically protected pyrene: molecular design, bright blue emission in the crystalline state and aromaticity relocation in its dicationic species","Chem.Commun.","2014","50","","10956","","10.1039/C4cc03645J","","","0.71075","MoKα","","0.0826","0.0742","","","0.2098","0.2218","","","","","","1.065","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115623","11.9116","0.0016","12.7221","0.0017","21.939","0.003","92.367","0.009","90.803","0.009","102.203","0.008","3245.9","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H56 Au2 F10 N2 O2 -","- C77 H56 Au2 F10 N2 O2 -","- C154 H112 Au4 F20 N4 O4 -","2","1","","Zhao Chen; Di Wu; Xie Han; Jinhua Liang; Jun Yin; Guang-Ao Yu; Sheng Hua Liu","A novel fluorene-based gold(I) complex with aggregate fluorescence change: a single-component white light-emitting","Chem.Commun.","2014","50","","11033","","10.1039/C4cc04469J","","","1.54178","CuKα","","0.2354","0.1066","","","0.2691","0.3093","","","","","","1.161","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115624","10.765","0.01","14.567","0.013","14.658","0.014","90","","97.11","0.02","90","","2281","4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H35 B3 N4 S -","- C22 H35 B3 N4 S -","- C88 H140 B12 N16 S4 -","4","2","","Holger Braunschweig; Christian Horl","Unexpected cluster formation upon hydroboration of a neutral diborene with 9-BBN","Chem.Commun.","2014","50","","10983","","10.1039/C4cc04476B","","","0.71073","MoKα","","0.0975","0.0527","","","0.1064","0.1244","","","","","","0.982","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115625","12.667","0.005","14.559","0.007","15.099","0.006","90","","94.373","0.01","90","","2776","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H43 B3 N4 S Si -","- C25 H43 B3 N4 S Si -","- C100 H172 B12 N16 S4 Si4 -","4","1","","Holger Braunschweig; Christian Horl","Unexpected cluster formation upon hydroboration of a neutral diborene with 9-BBN","Chem.Commun.","2014","50","","10983","","10.1039/C4cc04476B","","","0.71073","MoKα","","0.0488","0.0371","","","0.0941","0.1025","","","","","","1.062","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115626","12.6039","0.0011","13.6946","0.0012","18.7475","0.0016","90","","96.73","0.002","90","","3213.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Cl3 N O4 S2 -","- C34 H29 Cl3 N O4 S2 -","- C136 H116 Cl12 N4 O16 S8 -","4","1","","Yu Zhang; Ling Pan; Xianxiu Xu; Hongmei Luo; Qun Liu","Tandem Michael addition/imine isomerization/intramolecular [3+2] cycloaddition for the regiospecific synthesis of cyclohepta[b]pyrroles","Chem.Commun.","2014","50","","11039","","10.1039/C4cc04665J","","","0.71073","MoKα","","0.0957","0.0568","","","0.1247","0.1464","","","","","","1.029","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115627","10.069","0.005","13.141","0.005","18.165","0.005","110.735","0.005","93.826","0.005","107.061","0.005","2109.4","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H42 Cl4.5 N1.5 O6 S3 -","- C35 H26 Cl12 N O4 S2 -","- C70 H52 Cl24 N2 O8 S4 -","2","1","","Yu Zhang; Ling Pan; Xianxiu Xu; Hongmei Luo; Qun Liu","Tandem Michael addition/imine isomerization/intramolecular [3+2] cycloaddition for the regiospecific synthesis of cyclohepta[b]pyrroles","Chem.Commun.","2014","50","","11039","","10.1039/C4cc04665J","","","0.71069","MoKα","","0.1848","0.1443","","","0.3967","0.4431","","","","","","1.588","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7115628","26.081","0.004","26.081","0.004","19.313","0.004","90","","90","","90","","13137","4","180","2","180","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","[Cu12S6(dppt)4]*2C6H5CH3","","","- C130 H136 Cu12 P8 S6 -","- C130 H136 Cu12 P8 S6 -","- C520 H544 Cu48 P32 S24 -","4","0.25","","Xiao-Xun Yang; Ibrahim Issac; Sergej Lebedkin; Michael Kuhn; Florian Weigend; Dieter Fensk; Olaf Fuhrac; Andreas Eichhofer","Red-luminescent biphosphine stabilized 'Cu12S6' cluster molecules","Chem.Commun.","2014","50","","11043","","10.1039/C4cc04702H","","","0.71073","MoKα","","0.0501","0.0326","","","0.0803","0.0859","","","","","","1.036","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115629","17.803","0.004","18.522","0.004","23.713","0.005","83.46","0.03","80.88","0.03","71.93","0.03","7322","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[Cu12S6(Ph2PC8H16PPh2)4]*C6H5CH3","","","- C152.5 H172 Cu12 P8 S6 -","- C152.5 H172 Cu12 P8 S6 -","- C305 H344 Cu24 P16 S12 -","2","1","","Xiao-Xun Yang; Ibrahim Issac; Sergej Lebedkin; Michael Kuhn; Florian Weigend; Dieter Fensk; Olaf Fuhrac; Andreas Eichhofer","Red-luminescent biphosphine stabilized 'Cu12S6' cluster molecules","Chem.Commun.","2014","50","","11043","","10.1039/C4cc04702H","","","0.71073","MoKα","","0.072","0.0434","","","0.1048","0.1153","","","","","","0.953","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115630","8.4432","0.0003","10.8187","0.0003","12.5225","0.0003","82.362","0.002","86.419","0.002","85.558","0.002","1128.73","0.06","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H36 O4 Si -","- C23 H36 O4 Si -","- C46 H72 O8 Si2 -","2","1","","Zhilong Li; Tsz-Fai Leung; Rongbiao Tong","Total syntheses of +/- -musellarins A-C","Chem.Commun.","2014","50","","10990","","10.1039/C4cc05248J","","","1.5418","CuKα","","0.0557","0.0504","","","0.1224","0.1262","","","","","","1.002","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115631","6.5471","0.0004","10.5962","0.0006","14.3323","0.0009","100.773","0.002","101.934","0.002","107.345","0.002","895.07","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H58 O2 P2 -","- C36 H44 O2 P2 -","- C36 H44 O2 P2 -","1","0.5","","Shanshan Wu; Arnold L. Rheingold; John D. Protasiewicz","Luminescent materials containing multiple benzoxaphosphole units","Chem.Commun.","2014","50","","11036","","10.1039/C4cc05259E","","","0.71073","MoKα","","0.0419","0.0352","","","0.1204","0.1273","","","","","","1.002","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115632","23.24","0.0017","13.2721","0.0009","47.443","0.003","90","","90","","90","","14633.5","1.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C75 H66 F12 N18 O P2 Ru -","- C75 H66 F12 N18 O P2 Ru -","- C600 H528 F96 N144 O8 P16 Ru8 -","8","1","","Alexander J. Metherell; Michael D. Ward","Stepwise assembly of an adamantoid Ru4Ag6 cage by control of metal coordination geometry at specific sites","Chem.Commun.","2014","50","","10979","","10.1039/C4cc05421K","","","0.71073","MoKα","","0.1537","0.1329","","","0.3021","0.3103","","","","","","1.197","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115633","24.688","0.003","30.324","0.004","25.247","0.003","90","","102.819","0.002","90","","18430","4","100","2","100","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C288 H240 Ag6 F84 N72 P14 Ru4 -","- C288 H240 Ag6 F84 N72 P14 Ru4 -","- C576 H480 Ag12 F168 N144 P28 Ru8 -","2","0.5","","Alexander J. Metherell; Michael D. Ward","Stepwise assembly of an adamantoid Ru4Ag6 cage by control of metal coordination geometry at specific sites","Chem.Commun.","2014","50","","10979","","10.1039/C4cc05421K","","","0.71075","MoKα","","0.1658","0.1405","","","0.4104","0.4293","","","","","","1.618","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115634","9.5314","0.0003","12.4762","0.0005","16.9813","0.0006","111.157","0.002","97.191","0.002","90.47","0.002","1865.3","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H34 N5 Pt -","- C51 H34 N5 Pt -","- C102 H68 N10 Pt2 -","2","1","","Abraham B. Alemayehu; Hugo Vazquez-Lima; Christine M. Beavers; Kevin J. Gagnon; Jesper Bendix; Abhik Ghosh","Platinum corroles","Chem.Commun.","2014","50","","11093","","10.1039/C4cc02548B","","","0.6048","synchrotron","","0.0267","0.0259","","","0.0633","0.0639","","","","","","1.119","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115635","10.4746","0.0006","11.6239","0.0006","18.2464","0.0011","87.752","0.003","83.482","0.003","77.657","0.003","2156","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56.23 H45.24 Cl0.31 N4.96 Pt -","- C56.23 H45.248 Cl0.308 N4.968 Pt -","- C112.46 H90.496 Cl0.616 N9.936 Pt2 -","2","1","","Abraham B. Alemayehu; Hugo Vazquez-Lima; Christine M. Beavers; Kevin J. Gagnon; Jesper Bendix; Abhik Ghosh","Platinum corroles","Chem.Commun.","2014","50","","11093","","10.1039/C4cc02548B","","","0.7749","synchrotron","","0.0388","0.0313","","","0.0706","0.0727","","","","","","1.084","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115636","9.5493","0.0009","12.9707","0.0013","17.3628","0.0017","106.105","0.0011","96.859","0.0012","93.679","0.0012","2040.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H40 N5 Pt -","- C54 H40 N5 Pt -","- C108 H80 N10 Pt2 -","2","1","","Abraham B. Alemayehu; Hugo Vazquez-Lima; Christine M. Beavers; Kevin J. Gagnon; Jesper Bendix; Abhik Ghosh","Platinum corroles","Chem.Commun.","2014","50","","11093","","10.1039/C4cc02548B","","","0.6199","synchrotron","","0.0231","0.0227","","","0.0523","0.0525","","","","","","1.173","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115637","11.729","0.005","14.574","0.005","25.358","0.005","90","0.005","95.532","0.005","90","0.005","4314","3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H52 Cl2 Co N4 -","- C49 H52 Cl2 Co N4 -","- C196 H208 Cl8 Co4 N16 -","4","1","","van der Meer, Margarethe; Rechkemmer, Yvonne; Peremykin, Irina; Hohloch, Stephan; van Slageren, Joris; Sarkar, Biprajit","(Electro)catalytic C‒C bond formation reaction with a redox-active cobalt complex","Chemical Communications (Cambridge, United Kingdom)","2014","50","76","11104","11106","10.1039/c4cc03309d","","","0.71069","MoKα","","0.135","0.0673","","","0.1369","0.1609","","","","","","0.963","","","","has coordinates","210754","2020-10-21","18:00:00",""
"7115638","7.8709","0.0016","8.8711","0.0018","19.835","0.004","100.55","0.03","92.53","0.03","92.59","0.03","1358.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Ba2 N2 O13 -","- C24 H18 Ba2 N2 O13 -","- C48 H36 Ba4 N4 O26 -","2","1","","Chan Song; Guan-Yao Wang; Ya-Ling Wang; De-Ming Kong; Yong-Jian Wang; Yue Li; Wen-Juan Ruan","A barium based coordination polymer for the activity assay of deoxyribonuclease I","Chem.Commun.","2014","50","","11177","","10.1039/C4cc04272G","","","0.71073","MoKα","","0.0406","0.0301","","","0.0684","0.0742","","","","","","1.076","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115639","12.66","0.018","13.268","0.019","13.386","0.018","119.526","0.001","92.516","0.015","115.846","0.008","1662","4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","4","4","","- C32 H32 F6 N2 O4 P2 Ru -","- C32 H32 F6 N2 O4 P2 Ru -","- C64 H64 F12 N4 O8 P4 Ru2 -","2","1","","Yusuke Kita; Takafumi Higuchi; Kazushi Mashima","Hydrogenation of amides catalyzed by a combined catalytic system of a Ru complex with a zinc salt","Chem.Commun.","2014","50","","11211","","10.1039/C4cc04481A","","","0.71075","MoKα","","0.1648","0.1234","","","0.306","0.3475","","","","","","1.131","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115640","12.199","0.003","12.84","0.003","14.621","0.003","100.605","0.004","114.357","0.004","104.026","0.004","1916.8","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C80 H88 N8 O20 -","4","2","","Xue Zhong; You Li; Jing Zhang; Wu-Xia Zhang; Shi-Xue Wang; Fu-She Han","Formal [3+3] cycloaddition of indol-2-yl carbinol with azadiene and the oxidative ring expansion reaction for the synthesis of indole azepinones","Chem.Commun.","2014","50","","11181","","10.1039/C4cc04995K","","","0.71073","MoKα","","0.0896","0.0621","","","0.156","0.178","","","","","","1.009","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115641","15.2319","0.0011","7.8737","0.0006","15.4675","0.0011","90","","90.233","0.001","90","","1855","0.2","188","2","188","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C80 H88 N8 O20 -","4","1","","Xue Zhong; You Li; Jing Zhang; Wu-Xia Zhang; Shi-Xue Wang; Fu-She Han","Formal [3+3] cycloaddition of indol-2-yl carbinol with azadiene and the oxidative ring expansion reaction for the synthesis of indole azepinones","Chem.Commun.","2014","50","","11181","","10.1039/C4cc04995K","","","0.71073","MoKα","","0.0558","0.0446","","","0.109","0.1172","","","","","","1.023","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115642","9.6837","0.0008","9.5017","0.0008","20.5631","0.0017","90","","92.044","0.001","90","","1890.8","0.3","188","2","188","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C80 H88 N8 O20 -","4","1","","Xue Zhong; You Li; Jing Zhang; Wu-Xia Zhang; Shi-Xue Wang; Fu-She Han","Formal [3+3] cycloaddition of indol-2-yl carbinol with azadiene and the oxidative ring expansion reaction for the synthesis of indole azepinones","Chem.Commun.","2014","50","","11181","","10.1039/C4cc04995K","","","0.71073","MoKα","","0.0681","0.0507","","","0.1143","0.1246","","","","","","1.037","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115643","9.3854","0.0018","18.319","0.003","11.434","0.002","90","","109.579","0.003","90","","1852.2","0.6","187","2","187","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C80 H88 N8 O24 -","4","1","","Xue Zhong; You Li; Jing Zhang; Wu-Xia Zhang; Shi-Xue Wang; Fu-She Han","Formal [3+3] cycloaddition of indol-2-yl carbinol with azadiene and the oxidative ring expansion reaction for the synthesis of indole azepinones","Chem.Commun.","2014","50","","11181","","10.1039/C4cc04995K","","","0.71073","MoKα","","0.0977","0.0583","","","0.1202","0.1389","","","","","","1.024","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115644","9.6391","0.0008","27.15","0.002","8.0064","0.0007","90","","111.845","0.002","90","","1944.8","0.3","187","2","187","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C80 H88 N8 O24 -","4","1","","Xue Zhong; You Li; Jing Zhang; Wu-Xia Zhang; Shi-Xue Wang; Fu-She Han","Formal [3+3] cycloaddition of indol-2-yl carbinol with azadiene and the oxidative ring expansion reaction for the synthesis of indole azepinones","Chem.Commun.","2014","50","","11181","","10.1039/C4cc04995K","","","0.71073","MoKα","","0.1346","0.086","","","0.2117","0.242","","","","","","1.058","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115645","11.626","0.005","10.168","0.004","15.862","0.006","90","","97.357","0.008","90","","1859.7","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C80 H88 N8 O24 -","4","1","","Xue Zhong; You Li; Jing Zhang; Wu-Xia Zhang; Shi-Xue Wang; Fu-She Han","Formal [3+3] cycloaddition of indol-2-yl carbinol with azadiene and the oxidative ring expansion reaction for the synthesis of indole azepinones","Chem.Commun.","2014","50","","11181","","10.1039/C4cc04995K","","","0.71073","MoKα","","0.0782","0.0513","","","0.1292","0.1456","","","","","","1.035","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115646","13.953","0.004","10.739","0.004","18.125","0.008","90","","105.53","0.03","90","","2616.7","1.7","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 N4 Si4 -","- C50 H56 N4 Si4 -","- C100 H112 N8 Si8 -","2","0.5","","Abdelhameed, Mohammed; Langlois, Adam; Fortin, Daniel; Karsenti, Paul-Ludovic; Harvey, Pierre D.","A drastic substituent effect on the emission properties of quinone diimine models and valuable insight into the excited states of emeraldine","Chemical Communications (Cambridge, United Kingdom)","2014","50","76","11214","11217","10.1039/c4cc05178e","","x-ray","1.54176","CuKα","","0.2092","0.1051","","","0.2971","0.3591","","","","","","0.952","","","","has coordinates","211016","2020-10-21","18:00:00",""
"7115647","18.058","0.004","17.549","0.004","21.217","0.004","90","","100.9","0.03","90","","6602","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","porphyrin cage-1","","- C118.79 H92.79 Cl26.38 N18 Zn2 -","- C118.794 H92.794 Cl26.382 N18 Zn2 -","- C237.588 H185.588 Cl52.764 N36 Zn4 -","2","0.5","","Huimin Ding; Xiangshi Meng; Xu Cui; Yihui Yang; Tailin Zhou; Caixing Wang; Matthias Zeller; Cheng Wang","Highly-efficient synthesis of covalent porphyrinic cages via DABCO-templated imine condensation reactions","Chem.Commun.","2014","50","","11162","","10.1039/C4cc05449K","","","0.8001","synchrotron","","0.0607","0.0524","","","0.1508","0.1575","","","","","","1.063","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115648","15.9655","0.0003","14.7809","0.0003","21.7126","0.0015","90","","104.422","0.007","90","","4962.4","0.4","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56.5 H70 Fe2 N6 -","- C56.5 H70 Fe2 N6 -","- C226 H280 Fe8 N24 -","4","1","","Richard A. Lewis; K. Cory MacLeod; Brandon Q. Mercado; Patrick L. Holland","Geometric and redox flexibility of pyridine as a redox-active ligand that can reversibly accept one or two electrons","Chem.Commun.","2014","50","","11114","","10.1039/C4cc05495D","","","1.54187","CuKα","","0.0402","0.0361","","","0.0916","0.0943","","","","","","1.108","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115649","27.6897","0.0002","11.5655","0.0005","42.052","0.003","90","","90","","90","","13467","1.1","93","2","93","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C145 H183 Fe4 N17 O3 -","- C145 H183 Fe4 N17 O3 -","- C580 H732 Fe16 N68 O12 -","4","1","","Richard A. Lewis; K. Cory MacLeod; Brandon Q. Mercado; Patrick L. Holland","Geometric and redox flexibility of pyridine as a redox-active ligand that can reversibly accept one or two electrons","Chem.Commun.","2014","50","","11114","","10.1039/C4cc05495D","","","1.54187","CuKα","","0.125","0.0756","","","0.1701","0.2021","","","","","","0.947","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115650","9.5626","0.0005","9.6465","0.0005","17.8181","0.001","93.3339","0.0006","97.4937","0.0006","119.608","0.0005","1402.42","0.13","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Al3 Cl12 Dy -","- C12 H18 Al3 Cl12 Dy -","- C24 H36 Al6 Cl24 Dy2 -","2","1","","Shan-Shan Liu; Joseph W. Ziller; Yi-Quan Zhang; Bing-Wu Wang; William J. Evans; Song Gao","A half-sandwich organometallic single-ion magnet with hexamethylbenzene coordinated to the Dy(III) ion","Chem.Commun.","2014","50","","11418","","10.1039/C4cc04262J","","","0.71073","MoKα","","0.0177","0.0163","","","0.0384","0.0388","","","","","","1.037","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115651","9.5934","0.0005","9.6912","0.0005","17.8558","0.001","93.2661","0.0006","97.3859","0.0006","119.652","0.0005","1416.64","0.13","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Al3 Cl12 Tb -","- C12 H18 Al3 Cl12 Tb -","- C24 H36 Al6 Cl24 Tb2 -","2","1","","Shan-Shan Liu; Joseph W. Ziller; Yi-Quan Zhang; Bing-Wu Wang; William J. Evans; Song Gao","A half-sandwich organometallic single-ion magnet with hexamethylbenzene coordinated to the Dy(III) ion","Chem.Commun.","2014","50","","11418","","10.1039/C4cc04262J","","","0.71073","MoKα","","0.0177","0.0168","","","0.0429","0.0434","","","","","","1.037","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115652","10.0929","0.0006","11.5641","0.0007","11.7886","0.0007","67.928","0.001","77.776","0.001","67.513","0.001","1174.4","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 N2 O10 Se -","- C23 H24 N2 O10 Se -","- C46 H48 N4 O20 Se2 -","2","1","","Mohammad S. Afzal; Jean-Philippe Pitteloud; Daniela Buccella","Enhanced ratiometric fluorescent indicators for magnesium based on azoles of the heavier chalcogens","Chem.Commun.","2014","50","","11358","","10.1039/C4cc04460F","","","0.71073","MoKα","","0.0452","0.0341","","","0.0759","0.0809","","","","","","1.046","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115653","10.094","0.0014","11.5565","0.0016","11.7894","0.0017","67.376","0.002","77.489","0.002","67.165","0.002","1166.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 N2 O10 S -","- C23 H24 N2 O10 S -","- C46 H48 N4 O20 S2 -","2","1","","Mohammad S. Afzal; Jean-Philippe Pitteloud; Daniela Buccella","Enhanced ratiometric fluorescent indicators for magnesium based on azoles of the heavier chalcogens","Chem.Commun.","2014","50","","11358","","10.1039/C4cc04460F","","","0.71073","MoKα","","0.0564","0.0419","","","0.106","0.1154","","","","","","1.036","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115654","11.089","0.002","17.537","0.004","17.947","0.004","90","","98.91","0.03","90","","3448","1.3","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 Cl N2 Si Zn -","- C35 H53 Cl N2 Si Zn -","- C140 H212 Cl4 N8 Si4 Zn4 -","4","1","","Sebastian Schafer; Ralf Koppe; Michael T. Gamer; Peter W. Roesky","Zinc-silylene complexes","Chem.Commun.","2014","50","","11401","","10.1039/C4cc04714A","","","0.71073","MoKα","","0.0636","0.0428","","","0.0955","0.1019","","","","","","0.924","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115655","12.479","0.003","14.937","0.003","14.85","0.003","90","","104.21","0.03","90","","2683.3","1.1","200","2","200.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H66 Cl2 N4 Si2 Zn2 -","- C54 H66 Cl2 N4 Si2 Zn2 -","- C108 H132 Cl4 N8 Si4 Zn4 -","2","0.5","","Sebastian Schafer; Ralf Koppe; Michael T. Gamer; Peter W. Roesky","Zinc-silylene complexes","Chem.Commun.","2014","50","","11401","","10.1039/C4cc04714A","","","0.71073","MoKα","","0.0377","0.0265","","","0.0608","0.0628","","","","","","0.92","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115656","11.432","0.002","23.618","0.005","16.42","0.003","90","","105.97","0.03","90","","4262.3","1.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 Cl2 N4 Si2 Zn -","- C34 H56 Cl2 N4 Si2 Zn -","- C136 H224 Cl8 N16 Si8 Zn4 -","4","1","","Sebastian Schafer; Ralf Koppe; Michael T. Gamer; Peter W. Roesky","Zinc-silylene complexes","Chem.Commun.","2014","50","","11401","","10.1039/C4cc04714A","","","0.71073","MoKα","","0.1638","0.0485","","","0.0652","0.085","","","","","","0.669","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115657","9.6172","0.0011","9.7108","0.0011","10.0025","0.0012","96.336","0.002","109.264","0.002","102.874","0.002","842.34","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H26 B7 N2 -","- C14 H26 B7 N2 -","- C28 H52 B14 N4 -","2","1","","Marc-Andre Legare; Marc-Andre Courtemanche; Frederic-Georges Fontaine","Lewis base activation of borane-dimethylsulfide into strongly reducing ion pairs for the transformation of carbon dioxide to methoxyboranes","Chem.Commun.","2014","50","","11362","","10.1039/C4cc04857A","","","0.71073","MoKα","","0.0774","0.0509","","","0.1273","0.1424","","","","","","1.022","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115658","10.6521","0.0006","14.2354","0.0008","21.9063","0.0012","90","","95.875","0.001","90","","3304.4","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 N5 O P Zn -","- C35 H42 N5 O P Zn -","- C140 H168 N20 O4 P4 Zn4 -","4","1","","Zehuai Mou; Bo Liu; Meiyan Wang; Hongyan Xie; Ping Li; Lei Li; Shihui Li; Dongmei Cui","Isoselective ring-opening polymerization of rac-lactide initiated by achiral heteroscorpionate zwitterionic zinc complexes","Chem.Commun.","2014","50","","11411","","10.1039/C4cc05033A","","","0.71073","MoKα","","0.0474","0.0382","","","0.1031","0.1088","","","","","","1.057","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115659","13.017","0.0009","17.0162","0.0011","14.0147","0.0009","90","","90.091","0.001","90","","3104.3","0.4","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H46 N5 P Zn -","- C31 H46 N5 P Zn -","- C124 H184 N20 P4 Zn4 -","4","1","","Zehuai Mou; Bo Liu; Meiyan Wang; Hongyan Xie; Ping Li; Lei Li; Shihui Li; Dongmei Cui","Isoselective ring-opening polymerization of rac-lactide initiated by achiral heteroscorpionate zwitterionic zinc complexes","Chem.Commun.","2014","50","","11411","","10.1039/C4cc05033A","","","0.71073","MoKα","","0.0904","0.0565","","","0.139","0.1603","","","","","","1.017","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115660","14.4797","0.0009","10.8889","0.0006","20.9293","0.0013","90","","100.088","0.001","90","","3248.9","0.3","273","2","273","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C33 H37 Cl K0 Li0 N5 O P Zn -","- C33 H37 Cl N5 O P Zn -","- C132 H148 Cl4 N20 O4 P4 Zn4 -","4","1","","Zehuai Mou; Bo Liu; Meiyan Wang; Hongyan Xie; Ping Li; Lei Li; Shihui Li; Dongmei Cui","Isoselective ring-opening polymerization of rac-lactide initiated by achiral heteroscorpionate zwitterionic zinc complexes","Chem.Commun.","2014","50","","11411","","10.1039/C4cc05033A","","","0.71073","MoKα","","0.0632","0.0459","","","0.1035","0.1132","","","","","","1.028","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115661","9.9691","0.0005","11.3621","0.0006","17.9387","0.001","102.22","0.001","98.414","0.001","109.478","0.001","1819.61","0.17","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H48 N5 O P Si Zn -","- C37 H48 N5 O P Si Zn -","- C74 H96 N10 O2 P2 Si2 Zn2 -","2","1","","Zehuai Mou; Bo Liu; Meiyan Wang; Hongyan Xie; Ping Li; Lei Li; Shihui Li; Dongmei Cui","Isoselective ring-opening polymerization of rac-lactide initiated by achiral heteroscorpionate zwitterionic zinc complexes","Chem.Commun.","2014","50","","11411","","10.1039/C4cc05033A","","","0.71073","MoKα","","0.0759","0.0545","","","0.1282","0.142","","","","","","1.02","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115662","18.0474","0.0012","12.0098","0.0007","17.5841","0.0011","90","","102.768","0.001","90","","3717","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 N6 P Si2 Zn -","- C35 H47 N6 P Si2 Zn -","- C140 H188 N24 P4 Si8 Zn4 -","4","1","","Zehuai Mou; Bo Liu; Meiyan Wang; Hongyan Xie; Ping Li; Lei Li; Shihui Li; Dongmei Cui","Isoselective ring-opening polymerization of rac-lactide initiated by achiral heteroscorpionate zwitterionic zinc complexes","Chem.Commun.","2014","50","","11411","","10.1039/C4cc05033A","","","0.71073","MoKα","","0.0613","0.0449","","","0.1011","0.1094","","","","","","1.024","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115663","5.598","0.0001","13.2848","0.0003","14.6114","0.0004","90","","90","","90","","1086.63","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","","William P. Unsworth; Nicola Clark; Thomas O. Ronson; Kiri Stevens; Amber L. Thompson; Scott G. Lamont; Jeremy Robertson","Rhodium(II)-catalysed tandem aziridination and ring-opening: stereoselective synthesis of functionalised tetrahydrofurans","Chem.Commun.","2014","50","","11393","","10.1039/C4cc05159A","","","0.71073","MoKα","","0.03","0.0273","","0.0704","0.0661","0.0704","","","","","","0.9429","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115664","5.8112","0.0002","7.6935","0.0002","23.7155","0.0007","90","","90","","90","","1060.28","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","","William P. Unsworth; Nicola Clark; Thomas O. Ronson; Kiri Stevens; Amber L. Thompson; Scott G. Lamont; Jeremy Robertson","Rhodium(II)-catalysed tandem aziridination and ring-opening: stereoselective synthesis of functionalised tetrahydrofurans","Chem.Commun.","2014","50","","11393","","10.1039/C4cc05159A","","","0.71073","MoKα","","0.0515","0.0395","","0.0993","0.0883","0.0989","","","","","","0.991","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115665","5.7625","0.0002","8.6145","0.0003","21.3435","0.0008","90","","90","","90","","1059.51","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","","William P. Unsworth; Nicola Clark; Thomas O. Ronson; Kiri Stevens; Amber L. Thompson; Scott G. Lamont; Jeremy Robertson","Rhodium(II)-catalysed tandem aziridination and ring-opening: stereoselective synthesis of functionalised tetrahydrofurans","Chem.Commun.","2014","50","","11393","","10.1039/C4cc05159A","","","0.71073","MoKα","","0.0719","0.065","","0.1851","0.1718","0.1851","","","","","","0.9596","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115666","9.1923","0.0018","9.5033","0.0019","17.017","0.003","75.35","0.03","77.27","0.03","84.99","0.03","1402.1","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36.5 H31 Cl O2 -","- C36.5 H31 Cl O2 -","- C73 H62 Cl2 O4 -","2","1","","Jin-Hua Wang; Hai-Tao Feng; Yan-Song Zheng","Synthesis of tetraphenylethylene pillar[6]arenes and the selective fast quenching of their AIE fluorescence by TNT","Chem.Commun.","2014","50","","11407","","10.1039/C4cc05189K","","","0.71073","MoKα","","0.1025","0.0616","","","0.1685","0.189","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115667","10.871","0.005","11.053","0.005","15.84","0.007","81.772","0.008","77.584","0.008","68.14","0.008","1720.9","1.3","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C88 H92 O4 -","- C88 H92 O4 -","- C88 H92 O4 -","1","0.5","","Jin-Hua Wang; Hai-Tao Feng; Yan-Song Zheng","Synthesis of tetraphenylethylene pillar[6]arenes and the selective fast quenching of their AIE fluorescence by TNT","Chem.Commun.","2014","50","","11407","","10.1039/C4cc05189K","","","0.71073","MoKα","","0.1533","0.0821","","","0.2314","0.2957","","","","","","1.001","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115668","9.6016","0.0019","14.338","0.003","24.574","0.005","90","","90","","90","","3383","1.2","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 O4 -","- C44 H40 O4 -","- C176 H160 O16 -","4","1","","Jin-Hua Wang; Hai-Tao Feng; Yan-Song Zheng","Synthesis of tetraphenylethylene pillar[6]arenes and the selective fast quenching of their AIE fluorescence by TNT","Chem.Commun.","2014","50","","11407","","10.1039/C4cc05189K","","","0.71073","MoKα","","0.0829","0.0743","","","0.1935","0.2004","","","","","","1.123","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115669","9.6111","0.0013","9.8047","0.0014","12.6063","0.0015","75.516","0.008","79.934","0.009","88.667","0.01","1132.2","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H56 O -","- C60 H56 O -","- C60 H56 O -","1","0.5","","Jin-Hua Wang; Hai-Tao Feng; Yan-Song Zheng","Synthesis of tetraphenylethylene pillar[6]arenes and the selective fast quenching of their AIE fluorescence by TNT","Chem.Commun.","2014","50","","11407","","10.1039/C4cc05189K","","","0.71075","MoKα","","0.0865","0.0502","","","0.1258","0.1419","","","","","","0.97","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115670","18.407","0.004","5.7619","0.0007","11.61","0.002","90","","113.848","0.015","90","","1126.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Hexamethyldisilathiane","Bis(trimethylsilyl)sulfide","","- C6 H18 S Si2 -","- C6 H18 S Si2 -","- C24 H72 S4 Si8 -","4","0.5","","Jens P. Eussner; Stefanie Dehnen","Bronze, silver and gold: functionalized group 11 organotin sulfide clusters","Chem.Commun.","2014","50","","11385","","10.1039/C4cc05666C","","","0.71073","MoKα","","0.1104","0.0942","","","0.2278","0.2393","","","","","","1.202","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115671","12.6985","0.0005","13.1259","0.0005","15.4384","0.0008","115.138","0.003","101.519","0.004","101.37","0.003","2164.23","0.19","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H82 Cl10 Cu2 O4 P2 S8 Sn6 -","- C64 H82 Cl10 Cu2 O4 P2 S8 Sn6 -","- C64 H82 Cl10 Cu2 O4 P2 S8 Sn6 -","1","0.5","","Jens P. Eussner; Stefanie Dehnen","Bronze, silver and gold: functionalized group 11 organotin sulfide clusters","Chem.Commun.","2014","50","","11385","","10.1039/C4cc05666C","","","0.71073","MoKα","","0.0365","0.0288","","","0.0695","0.0714","","","","","","0.961","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115672","12.4911","0.001","15.09","0.0013","15.4207","0.0011","91.029","0.006","102.416","0.006","101.294","0.006","2778.2","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H118 Cl2 Cu2 O8 P2 S14 Sn10 -","- C84 H118 Cl2 Cu2 O8 P2 S14 Sn10 -","- C84 H118 Cl2 Cu2 O8 P2 S14 Sn10 -","1","0.5","","Jens P. Eussner; Stefanie Dehnen","Bronze, silver and gold: functionalized group 11 organotin sulfide clusters","Chem.Commun.","2014","50","","11385","","10.1039/C4cc05666C","","","0.71073","MoKα","","0.1056","0.046","","","0.0947","0.1033","","","","","","0.698","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115673","12.528","0.0004","15.2617","0.0005","15.4195","0.0005","91.365","0.003","102.845","0.002","100.328","0.002","2821.6","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H118 Ag2 Cl2 O8 P2 S14 Sn10 -","- C84 H118 Ag2 Cl2 O8 P2 S14 Sn10 -","- C84 H118 Ag2 Cl2 O8 P2 S14 Sn10 -","1","0.5","","Jens P. Eussner; Stefanie Dehnen","Bronze, silver and gold: functionalized group 11 organotin sulfide clusters","Chem.Commun.","2014","50","","11385","","10.1039/C4cc05666C","","","0.71073","MoKα","","0.0443","0.0374","","","0.0685","0.0701","","","","","","1.06","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115674","30.8293","0.0003","30.8293","0.0003","54.2835","0.0007","90","","90","","90","","51593.5","1","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C63.5 H127 Ag10 Cl7 N20 S20 Sn10 -","- C63.5 H115 Ag10 Cl7 N20 S20 Sn10 -","- C1016 H1840 Ag160 Cl112 N320 S320 Sn160 -","16","1","","Jens P. Eussner; Stefanie Dehnen","Bronze, silver and gold: functionalized group 11 organotin sulfide clusters","Chem.Commun.","2014","50","","11385","","10.1039/C4cc05666C","","","0.71073","MoKα","","0.0569","0.0406","","","0.0921","0.0975","","","","","","1.003","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115675","14.5079","0.0006","12.1592","0.0005","15.0025","0.0006","90","","103.39","0.003","90","","2574.57","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 Au2 O2 P2 S4 Sn2 -","- C48 H52 Au2 O2 P2 S4 Sn2 -","- C96 H104 Au4 O4 P4 S8 Sn4 -","2","0.5","","Jens P. Eussner; Stefanie Dehnen","Bronze, silver and gold: functionalized group 11 organotin sulfide clusters","Chem.Commun.","2014","50","","11385","","10.1039/C4cc05666C","","","0.71073","MoKα","","0.0719","0.0453","","","0.1024","0.1086","","","","","","0.889","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115676","8.522","0.0005","12.3547","0.0009","17.3906","0.001","77.566","0.005","83.985","0.005","71.477","0.005","1694.12","0.19","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H66 Au2 Cl10 N4 P2 S4 Sn2 -","- C53 H66 Au2 Cl10 N4 P2 S4 Sn2 -","- C53 H66 Au2 Cl10 N4 P2 S4 Sn2 -","1","0.5","","Jens P. Eussner; Stefanie Dehnen","Bronze, silver and gold: functionalized group 11 organotin sulfide clusters","Chem.Commun.","2014","50","","11385","","10.1039/C4cc05666C","","","0.71073","MoKα","","0.0819","0.0756","","","0.1944","0.1986","","","","","","1.205","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115677","18.436","0.002","18.589","0.002","30.244","0.003","99.0625","0.0014","91.888","0.002","117.078","0.003","9048.7","1.7","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C164.5 H217 Au6 B2 Cl F8 N12 O6 -","- C164.5 H217 Au6 B2 Cl F8 N12 O6 -","- C329 H434 Au12 B4 Cl2 F16 N24 O12 -","2","1","","Alba Collado; Adrian Gomez-Suarez; Paul B. Webb; Hedi Kruger; Michael Buhl; David B. Cordes; Alexandra M. Z. Slawin; Steven P. Nolan","Trapping atmospheric CO2 with gold","Chem.Commun.","2014","50","","11321","","10.1039/C4cc05910G","","","0.71075","MoKα","","0.1382","0.1043","","","0.3063","0.3191","","","","","","1.046","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115678","10.1588","0.0006","13.9351","0.0008","18.4004","0.001","78.641","0.003","75.556","0.003","73.465","0.003","2395.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Cl O P -","- C31 H24 Cl O P -","- C124 H96 Cl4 O4 P4 -","4","2","","Anup Bhunia; Trinadh Kaicharla; Digvijay Porwal; Rajesh G. Gonnade; Akkattu T. Biju","Multicomponent reactions involving phosphines, arynes and aldehydes","Chem.Commun.","2014","50","","11389","","10.1039/C4cc05420B","","","0.71073","MoKα","","0.1171","0.1043","","","0.162","0.1665","","","","","","1.349","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115679","9.6419","0.0002","14.7407","0.0004","20.9802","0.0005","90","","91.849","0.001","90","","2980.33","0.12","297","2","297","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 As Cl F3 O4 S -","- C32 H25 As Cl F3 O4 S -","- C128 H100 As4 Cl4 F12 O16 S4 -","4","1","","Anup Bhunia; Trinadh Kaicharla; Digvijay Porwal; Rajesh G. Gonnade; Akkattu T. Biju","Multicomponent reactions involving phosphines, arynes and aldehydes","Chem.Commun.","2014","50","","11389","","10.1039/C4cc05420B","","","0.71073","MoKα","","0.0735","0.0547","","","0.1273","0.1385","","","","","","1.048","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115680","14.2166","0.001","28.5677","0.0019","12.5338","0.0008","90","","97.179","0.003","90","","5050.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Cl2 O1.25 P -","- C31 H23 Cl2 O1.25 P -","- C248 H184 Cl16 O10 P8 -","8","2","","Anup Bhunia; Trinadh Kaicharla; Digvijay Porwal; Rajesh G. Gonnade; Akkattu T. Biju","Multicomponent reactions involving phosphines, arynes and aldehydes","Chem.Commun.","2014","50","","11389","","10.1039/C4cc05420B","","","0.71073","MoKα","","0.0835","0.0632","","","0.1396","0.149","","","","","","1.142","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115681","21.0197","0.0007","25.2728","0.0008","12.0096","0.0004","90","","90","","90","","6379.8","0.4","100","0.1","100","0.1","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C17.85 H111 Br N O41.69 -","- C17.8484 H112 Br N4 O41.6968 -","- C71.3936 H448 Br4 N16 O166.787 -","4","0.25","","S. Muromachi; K. A. Udachin; K. Shin; S. Alavi; I. L. Moudrakovski; R. Ohmura; J. A. Ripmeester","Guest-induced symmetry lowering of an ionic clathrate material for carbon capture","Chem.Commun.","2014","50","","11476","","10.1039/C4cc02111H","","","0.7107","MoKα","","0.0412","0.0266","","","0.0589","0.0651","","","","","","1.048","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115682","29.607","0.004","26.66","0.003","24.133","0.003","90","","108.178","0.002","90","","18098","4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C130 H97 Co6.5 Mo24 N26 O88 P2 -","- C130 H97 Co6.5 Mo24 N26 O84.5 P2 -","- C520 H388 Co26 Mo96 N104 O338 P8 -","4","1","","C. Zhang; X. Lin; Z. Zhang; L.-S. Long; C. Wang; W. Lin","A hybrid polyoxometalate-organic molecular catalyst for visible light driven water oxidation","Chem.Commun.","2014","50","","11591","","10.1039/C4cc03487B","","","0.71073","MoKα","","0.1007","0.069","","","0.1732","0.1866","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115683","11.4702","0.0006","13.147","0.0006","14.9642","0.0008","113.625","0.004","95.348","0.004","105.167","0.004","1944.7","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 B2 F4 N6 O2 -","- C44 H44 B2 F4 N6 O2 -","- C88 H88 B4 F8 N12 O4 -","2","1","","Yafei Wang; Long Chen; Reda M. El-Shishtawy; Saadullah G. Aziz; Klaus Mullen","Synthesis and optophysical properties of dimeric aza-BODIPY dyes with a push-pull benzodipyrrolidone core","Chem.Commun.","2014","50","","11540","","10.1039/C4cc03759F","","","0.71073","MoKα","","0.1031","0.0603","","","0.1536","0.1794","","","","","","0.909","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115684","4.7273","0.0004","19.711","0.001","25.1808","0.0019","90","","97.316","0.007","90","","2327.2","0.3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 B2 Cl4 F6 N6 O2 -","- C46 H46 B2 Cl4 F6 N6 O2 -","- C92 H92 B4 Cl8 F12 N12 O4 -","2","0.5","","Yafei Wang; Long Chen; Reda M. El-Shishtawy; Saadullah G. Aziz; Klaus Mullen","Synthesis and optophysical properties of dimeric aza-BODIPY dyes with a push-pull benzodipyrrolidone core","Chem.Commun.","2014","50","","11540","","10.1039/C4cc03759F","","","1.54178","CuKα","","0.2451","0.1847","","","0.4392","0.479","","","","","","1.445","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115685","11.7738","0.00009","12.39402","0.00007","19.49664","0.00013","90","","106.917","0.0007","90","","2721.92","0.03","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H27.5 N0.5 O4 -","- C36 H27.5 N0.5 O4 -","- C144 H110 N2 O16 -","4","2","","Weiliang Chen; Xuan Fu; Lili Lin; Xiao Yuan; Weiwei Luo; Juhua Feng; Xiaohua Liu; Xiaoming Feng","An asymmetric [3+2] cycloaddition of alkynes with oxiranes by selective C-C bond cleavage of epoxides: highly efficient synthesis of chiral furan derivatives","Chem.Commun.","2014","50","","11480","","10.1039/C4cc04182H","","","1.54184","CuKα","","0.0261","0.0257","","","0.0668","0.0673","","","","","","1.046","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7115686","9.93781","0.00014","15.1528","0.0002","17.8125","0.0002","69.7564","0.0013","88.9555","0.0011","87.1772","0.0012","2513.57","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","5,9,14,18-tetraoctyloxy-dinaphto[2,3-a:2,3-h]phenazine","","- C60 H80 N2 O4 -","- C60 H80 N2 O4 -","- C120 H160 N4 O8 -","2","1","","Kamil Kotwica; Piotr Bujak; Damian Wamil; Mariusz Materna; Lukasz Skorka; Piotr A. Gunka; Robert Nowakowski; Barbara Golec; Beata Luszczynska; Malgorzata Zagorska; Adam Pron","Indanthrone dye revisited after sixty years","Chem.Commun.","2014","50","","11543","","10.1039/C4cc04778H","","x-ray","0.71073","MoKα","","0.0809","0.0513","","","0.1326","0.1543","","","","","","1.024","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115687","11.4995","0.0007","14.7887","0.0009","16.1942","0.0009","90","","98.174","0.003","90","","2726.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(PPMeP)Ni(CO2)","","","- C26 H39 Ni O2 P3 -","- C26 H39 Ni O2 P3 -","- C104 H156 Ni4 O8 P12 -","4","1","","Yeong-Eun Kim; Jin Kim; Yunho Lee","Formation of a nickel carbon dioxide adduct and its transformation mediated by a Lewis acid","Chem.Commun.","2014","50","","11458","","10.1039/C4cc04800H","","","0.71073","MoKα","","0.0446","0.0311","","","0.0768","0.0831","","","","","","1.021","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115688","13.7796","0.0008","15.3191","0.0009","15.8751","0.0009","97.002","0.003","95.9","0.003","111.372","0.003","3057.8","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","(PPMeP)Ni{COOB(C6F5)3}","","","- C65 H63 B F15 Ni O2 P3 -","- C65 H63 B F15 Ni O2 P3 -","- C130 H126 B2 F30 Ni2 O4 P6 -","2","1","","Yeong-Eun Kim; Jin Kim; Yunho Lee","Formation of a nickel carbon dioxide adduct and its transformation mediated by a Lewis acid","Chem.Commun.","2014","50","","11458","","10.1039/C4cc04800H","","","0.71073","MoKα","","0.1075","0.0621","","","0.1617","0.1965","","","","","","1.04","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115689","18.508","0.001","19.9088","0.001","28.5632","0.0015","90","","90","","90","","10524.7","1","120","2","120","2","","","","","","","","5","I b c a","-I 2b 2c","73","{(PPMeP)Ni}2(N2)","","","- C50 H78 N2 Ni2 P6 -","- C50 H78 N2 Ni2 P6 -","- C400 H624 N16 Ni16 P48 -","8","0.5","","Yeong-Eun Kim; Jin Kim; Yunho Lee","Formation of a nickel carbon dioxide adduct and its transformation mediated by a Lewis acid","Chem.Commun.","2014","50","","11458","","10.1039/C4cc04800H","","","0.71073","MoKα","","0.0526","0.0337","","","0.0777","0.0917","","","","","","1.057","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115690","14.1075","0.0012","14.4693","0.0012","17.9695","0.0014","102.772","0.004","90.083","0.004","91.038","0.004","3576.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C180 H132 K2 O26 Yb2 -","- C180 H132 K2 O26 Yb2 -","- C180 H132 K2 O26 Yb2 -","1","0.5","","Brodie L. Reid; Stefano Stagni; Joanna M. Malicka; Massimo Cocchi; Garry S. Hanan; Mark I. Ogden; Massimiliano Massi","Lanthanoid beta-triketonates: a new class of highly efficient NIR emitters for bright NIR-OLEDs","Chem.Commun.","2014","50","","11580","","10.1039/C4cc04961F","","","1.54178","CuKα","","0.0634","0.0589","","","0.1549","0.1622","","","","","","1.061","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115691","14.5313","0.0007","17.5256","0.0008","18.3097","0.0009","66.927","0.001","73.12","0.001","76.513","0.001","4067.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H76 Cl N13 O9 P4 Ru2 -","- C104.834 H174 Cl3.0004 N39.166 O27 P12 Ru6 -","- C104.834 H174 Cl3.0004 N39.166 O27 P12 Ru6 -","1","0.5","","Manuel Serrano-Ruiz; Silvia Imberti; Leonardo Bernasconi; Nazira Jadagayeva; Franco Scalambra; Antonio Romerosa","Study of the interaction of water with the aqua-soluble dimeric complex [RuCp(PTA)2-mu-CN-1 kappa C:2 kappa^2^ N-RuCp(PTA)2](CF3SO3) (PTA = 1,3,5-triaza-7-phosphaadamantane) by neutron and X-ray diffraction in solution","Chem.Commun.","2014","50","","11587","","10.1039/C4cc05225K","","","0.71073","MoKα","","0.064","0.0569","","","0.1679","0.1767","","","","","","1.062","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115692","15.778","0.0013","15.778","0.0013","28.032","0.005","90","","90","","120","","6043.5","1.3","296","2","296","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C186 H102 In9 N30 O72 Ru2 -","- C186 H102 In9 N30 O72 Ru1.704 -","- C186 H102 In9 N30 O72 Ru1.704 -","1","0.166667","","Lei Wang; Weiting Yang; Yangxue Li; Zhigang Xie; Wei Zhu; Zhong-Ming Sun","Dynamically controlled one-pot synthesis of heterogeneous core-shell MOF single crystals using guest molecules","Chem.Commun.","2014","50","","11653","","10.1039/C4cc03588G","","","0.71073","MoKα","","0.081","0.0701","","","0.1681","0.1742","","","","","","1.066","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115693","15.7069","0.0013","15.7069","0.0013","52.887","0.009","90","","90","","120","","11300","2","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H6 In N2 O8 -","- C14 H6 In N2 O8 -","- C252 H108 In18 N36 O144 -","18","0.5","","Lei Wang; Weiting Yang; Yangxue Li; Zhigang Xie; Wei Zhu; Zhong-Ming Sun","Dynamically controlled one-pot synthesis of heterogeneous core-shell MOF single crystals using guest molecules","Chem.Commun.","2014","50","","11653","","10.1039/C4cc03588G","","","0.71073","MoKα","","0.0674","0.0362","","","0.068","0.0744","","","","","","0.868","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115694","14.6631","0.0003","22.9825","0.0004","13.3003","0.0002","90","","90","","90","","4482.13","0.14","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C21.5 H19 Cl N2 O2 S -","- C21.5 H19 Cl N2 O2 S -","- C172 H152 Cl8 N16 O16 S8 -","8","1","","Wenyan Hao; Jiangbo Zeng; Mingzhong Cai","The copper(I)-catalyzed tandem reaction of o-alkynylphenyl isothiocyanates with isocyanides: a rapid synthesis of 5H-benzo[d]imidazo[5,1-b][1,3]thiazines","Chem.Commun.","2014","50","","11686","","10.1039/C4cc04057K","","","0.71073","MoKα","","0.0618","0.0528","","","0.1425","0.1486","","","","","","1.009","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7115695","17.8883","0.0003","18.2158","0.0003","28.6383","0.0003","72.268","0.001","88.036","0.001","63.205","0.002","7875.6","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C194 H156 N O24 Sc3 -","- C194 H156 N O24 Sc3 -","- C388 H312 N2 O48 Sc6 -","2","1","","Min-Yen Ku; Shing-Jong Huang; Shou-Ling Huang; Yi-Hung Liu; Chien-Chen Lai; Shie-Ming Peng; Sheng-Hsien Chiu","Hemicarceplex formation allows ready identification of the isomers of the metallofullerene Sc3N@C80 using 1H and 13C NMR spectroscopy","Chem.Commun.","2014","50","","11709","","10.1039/C4cc04695A","","","0.71073","MoKα","","0.1749","0.1337","","","0.3022","0.3244","","","","","","0.794","","","","has coordinates,has disorder","180270","2020-10-21","18:00:00",""
"7115696","28.1305","0.0009","26.1877","0.0008","28.1745","0.0017","90","","90","","90","","20755.4","1.6","110","2","110","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C68 H40 Cu2 N8 O17 Zn4 -","- C68 H40 Cu2 N8 O17 Zn4 -","- C544 H320 Cu16 N64 O136 Zn32 -","8","0.5","","Alexandre Burgun; Rachel S. Crees; Marcus L. Cole; Christian J. Doonan; Christopher J. Sumby","A 3-D diamondoid MOF catalyst based on in situ generated [Cu(L)2] N-heterocyclic carbene (NHC) linkers: hydroboration of CO2","Chem.Commun.","2014","50","","11760","","10.1039/C4cc04761C","","","0.71073","MoKα","","0.1921","0.123","","","0.3462","0.3724","","","","","","1.131","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115697","17.6807","0.0007","21.7456","0.0009","15.1674","0.0006","90","","103.312","0.001","90","","5674.8","0.4","90","0.2","90","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H30.88 Cl2 N4.5 O1.25 P Pd -","- C27 H30.906 Cl2 N4.5 O1.203 P Pd -","- C216 H247.248 Cl16 N36 O9.624 P8 Pd8 -","8","1","","Corey A. Sanz; Michael J. Ferguson; Robert McDonald; Brian O. Patrick; Robin G. Hicks","Classical and non-classical redox reactions of Pd(II) complexes containing redox-active ligands","Chem.Commun.","2014","50","","11676","","10.1039/C4cc04863F","","","0.71073","MoKα","","0.0578","0.036","","","0.0739","0.0816","","","","","","1.014","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115698","13.5981","0.0012","17.4517","0.0016","10.9141","0.001","90","","100.235","0.0011","90","","2548.8","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H56 Cl2 N8 O2 P2 Pd2 -","- C52 H56 Cl2 N8 O2 P2 Pd2 -","- C104 H112 Cl4 N16 O4 P4 Pd4 -","2","0.5","","Corey A. Sanz; Michael J. Ferguson; Robert McDonald; Brian O. Patrick; Robin G. Hicks","Classical and non-classical redox reactions of Pd(II) complexes containing redox-active ligands","Chem.Commun.","2014","50","","11676","","10.1039/C4cc04863F","","","0.71073","MoKα","","0.057","0.0417","","","0.1003","0.1088","","","","","","1.062","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115699","18.7336","0.0014","10.702","0.0008","11.7743","0.0009","90","","94.201","0.001","90","","2354.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N4 O P -","- C26 H28 N4 O P -","- C104 H112 N16 O4 P4 -","4","1","","Corey A. Sanz; Michael J. Ferguson; Robert McDonald; Brian O. Patrick; Robin G. Hicks","Classical and non-classical redox reactions of Pd(II) complexes containing redox-active ligands","Chem.Commun.","2014","50","","11676","","10.1039/C4cc04863F","","","0.71073","MoKα","","0.0616","0.0428","","","0.1186","0.139","","","","","","1.068","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115700","8.972","0.005","9.771","0.005","16.661","0.009","101.704","0.014","100.03","0.014","94.767","0.013","1397.7","1.3","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H30 Cl2 N4 O2 P Pd -","- C26 H30 Cl2 N4 O2 P Pd -","- C52 H60 Cl4 N8 O4 P2 Pd2 -","2","1","","Corey A. Sanz; Michael J. Ferguson; Robert McDonald; Brian O. Patrick; Robin G. Hicks","Classical and non-classical redox reactions of Pd(II) complexes containing redox-active ligands","Chem.Commun.","2014","50","","11676","","10.1039/C4cc04863F","","","0.71073","MoKα","","0.0636","0.049","","","0.1059","0.1136","","","","","","1.176","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115701","11.8934","0.0008","26.2175","0.0018","20.3647","0.0015","90","","101.101","0.002","90","","6231.2","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1","","- C154 H148 B4 N6 O3 Si2 -","- C154 H148 B4 N6 O3 Si2 -","- C308 H296 B8 N12 O6 Si4 -","2","0.5","","Shannon A. Couchman; Trevor K. Thompson; David J. D. Wilson; Jason L. Dutton; Caleb D. Martin","Investigating the ring expansion reaction of pentaphenylborole and an azide","Chem.Commun.","2014","50","","11724","","10.1039/C4cc04864D","","","0.71073","MoKα","","0.0833","0.0608","","","0.1394","0.1538","","","","","","1.122","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115702","8.6842","0.0006","10.9725","0.0008","11.2956","0.0008","100.974","0.001","95.529","0.001","99.687","0.001","1032.37","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 N3 O5 S -","- C23 N3 O5 S -","- C46 N6 O10 S2 -","2","1","","Xianyu Meng; Peiqiu Liao; Jianquan Liu; Xihe Bi","Silver-catalyzed cyclization of 2-pyridyl alkynyl carbinols with isocyanides: divergent synthesis of indolizines and pyrroles","Chem.Commun.","2014","50","","11837","","10.1039/C4cc04905E","","","0.71073","MoKα","","0.1095","0.0962","","","0.2771","0.301","","","","","","2.124","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7115703","7.1457","0.0007","9.8623","0.0011","11.5311","0.0011","96.212","0.001","94.459","0.001","97.061","0.001","798.31","0.14","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C H Br N O S -","- C5.14286 Br0.285714 N0.285714 O0.857143 S0.285714 -","- C36 Br2 N2 O6 S2 -","7","7","","Xianyu Meng; Peiqiu Liao; Jianquan Liu; Xihe Bi","Silver-catalyzed cyclization of 2-pyridyl alkynyl carbinols with isocyanides: divergent synthesis of indolizines and pyrroles","Chem.Commun.","2014","50","","11837","","10.1039/C4cc04905E","","","0.71073","MoKα","","0.1034","0.094","","","0.2639","0.2771","","","","","","2.178","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115704","17.916","0.005","4.643","0.0012","20.248","0.012","90","","124.13","0.03","90","","1394.2","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O -","- C17 H13 N3 O -","- C68 H52 N12 O4 -","4","1","","Murat K. Deliomeroglu; Vincent M. Lynch; Jonathan L. Sessler","Conformationally switchable non-cyclic tetrapyrrole receptors: synthesis of tetrakis(1H-pyrrole-2-carbaldehyde) derivatives and their anion binding properties","Chem.Commun.","2014","50","","11863","","10.1039/C4cc05093B","","","0.71073","MoKα","","0.1839","0.0969","","","0.1463","0.1715","","","","","","1.362","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115705","7.423","0.001","8.934","0.002","9.001","0.002","118.77","0.01","97.71","0.01","93.62","0.01","512.87","0.19","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","3-mesityl-1,2,3-oxadiazol-3-ium-5-olate","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","","Sascha Wiechmann; Tyll Freese; Martin H. H. Drafz; Eike G. Hubner; Jan C. Namyslo; Martin Nieger; Andreas Schmidt","Sydnone anions and abnormal N-heterocyclic carbenes of O-ethylsydnones. Characterizations, calculations and catalyses","Chem.Commun.","2014","50","","11822","","10.1039/C4cc05461J","","","0.71073","MoKα","","0.0579","0.0494","","","0.1303","0.1376","","","","","","1.075","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115706","11.8099","0.0009","17.9947","0.0014","17.1796","0.0007","90","","100.544","0.007","90","","3589.3","0.4","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H35 Br N2 O2 P2 Pd -","- C44 H35 Br N2 O2 P2 Pd -","- C176 H140 Br4 N8 O8 P8 Pd4 -","4","1","","Sascha Wiechmann; Tyll Freese; Martin H. H. Drafz; Eike G. Hubner; Jan C. Namyslo; Martin Nieger; Andreas Schmidt","Sydnone anions and abnormal N-heterocyclic carbenes of O-ethylsydnones. Characterizations, calculations and catalyses","Chem.Commun.","2014","50","","11822","","10.1039/C4cc05461J","","","0.71073","MoKα","","0.0299","0.0227","","","0.0476","0.0507","","","","","","1.145","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115707","7.548","0.0011","8.2091","0.0012","20.886","0.003","92.198","0.003","95.579","0.003","101.425","0.003","1260.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-NP","","","- C27 H36 Br N O3 -","- C27 H36 Br N O3 -","- C54 H72 Br2 N2 O6 -","2","1","","Peiyi Wang; Yuan Lin; Mark Smith; Sheng Feng; Baoan Song; Song Yang; Jun Hu","Host-guest interaction manipulated self-assembly of pyridinium-tailored naphthalene","Chem.Commun.","2014","50","","11950","","10.1039/C4cc05538A","","","0.71073","MoKα","","0.036","0.0314","","","0.0778","0.08","","","","","","1.056","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115708","22.261","","22.261","","47.421","","90","","90","","120","","20351.2","","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C180 H270 Ag55 Mo6 O60 -","- C180 H270 Ag55 Mo6 O60 -","- C540 H810 Ag165 Mo18 O180 -","3","0.166667","","Kun Zhou; Yun Geng; Li-Kai Yan; Xin-Long Wang; Xian-Chun Liu; Guo-Gang Shan; Kui-Zhan Shao; Zhong-Min Su; Ying-Ning Yu","An ultrastable {Ag55Mo6} nanocluster with a Ag-centered multishell structure","Chem.Commun.","2014","50","","11934","","10.1039/C4cc05893C","","","0.71073","MoKα","","0.0803","0.0592","","","0.1633","0.1753","","","","","","1.054","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115709","22.6373","0.0007","9.557","0.0003","16.0764","0.0005","90","","105.708","0.002","90","","3348.15","0.18","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 N4 O6 S2 -","- C34 H38 N4 O6 S2 -","- C136 H152 N16 O24 S8 -","4","0.5","","Murat K. Deliomeroglu; Vincent M. Lynch; Jonathan L. Sessler","Conformationally switchable non-cyclic tetrapyrrole receptors: synthesis of tetrakis(1H-pyrrole-2-carbaldehyde) derivatives and their anion binding properties","Chem.Commun.","2014","50","","11863","","10.1039/C4cc05903D","","","0.71073","MoKα","","0.0512","0.0391","","","0.0975","0.107","","","","","","1.046","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115710","15.1665","0.0012","17.7506","0.0016","24.997","0.002","90","","90","","90","","6729.6","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H40 N6 O6 -","- C36 H40 N6 O6 -","- C288 H320 N48 O48 -","8","1","","Murat K. Deliomeroglu; Vincent M. Lynch; Jonathan L. Sessler","Conformationally switchable non-cyclic tetrapyrrole receptors: synthesis of tetrakis(1H-pyrrole-2-carbaldehyde) derivatives and their anion binding properties","Chem.Commun.","2014","50","","11863","","10.1039/C4cc05903D","","","0.71073","MoKα","","0.1068","0.0676","","","0.1114","0.1226","","","","","","1.134","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115711","8.387","0.0004","14.2432","0.0005","14.6816","0.0007","90","","104.354","0.002","90","","1699.08","0.13","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N6 O6 -","- C36 H40 N6 O6 -","- C72 H80 N12 O12 -","2","0.5","","Murat K. Deliomeroglu; Vincent M. Lynch; Jonathan L. Sessler","Conformationally switchable non-cyclic tetrapyrrole receptors: synthesis of tetrakis(1H-pyrrole-2-carbaldehyde) derivatives and their anion binding properties","Chem.Commun.","2014","50","","11863","","10.1039/C4cc05903D","","","0.71073","MoKα","","0.0696","0.0437","","","0.0989","0.1163","","","","","","1.027","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115712","8.9032","0.0006","11.1649","0.0007","27.772","0.002","90","","90","","90","","2760.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 Br N2 O2 -","- C33 H26 Br N2 O2 -","- C132 H104 Br4 N8 O8 -","4","1","","Yan Liu; Hong-Hao Zhang; Yu-Chen Zhang; Yan Jiang; Feng Shi; Shu-Jiang Tu","Organocatalytic enantioselective and (Z)-selective allylation of 3-indolylmethanol via hydrogen-bond activation","Chem.Commun.","2014","50","","12054","","10.1039/C4cc02056A","","","0.71073","MoKα","","0.186","0.058","","","0.1159","0.1508","","","","","","0.952","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115713","9.8251","0.0019","9.502","0.0018","10.709","0.002","90","","107.096","0.003","90","","955.6","0.3","298","2","298","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","1","","Guo-Feng Zhang; Ze-Qiang Chen; Matthew P. Aldred; Zhe Hu; Tao Chen; Zhenli Huang; Xianggao Meng; Ming-Qiang Zhu","Direct validation of the restriction of intramolecular rotation hypothesis via the synthesis of novel ortho-methyl substituted tetraphenylethenes and their application in cell imaging","Chem.Commun.","2014","50","","12058","","10.1039/C4cc04241G","","","0.71073","MoKα","","0.0514","0.0414","","","0.1167","0.1263","","","","","","1.053","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115714","9.036","0.019","9.48","0.02","12.9","0.03","111.14","0.03","98.54","0.05","98.34","0.03","995","4","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C28 H24 -","- C28 H24 -","- C56 H48 -","2","1","","Guo-Feng Zhang; Ze-Qiang Chen; Matthew P. Aldred; Zhe Hu; Tao Chen; Zhenli Huang; Xianggao Meng; Ming-Qiang Zhu","Direct validation of the restriction of intramolecular rotation hypothesis via the synthesis of novel ortho-methyl substituted tetraphenylethenes and their application in cell imaging","Chem.Commun.","2014","50","","12058","","10.1039/C4cc04241G","","","0.71073","MoKα","","0.0728","0.0571","","","0.1537","0.1694","","","","","","1.022","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115715","12.9991","0.0019","12.9991","0.0019","6.573","0.001","90","","90","","90","","1110.7","0.3","100","2","100","2","","","","","","","","2","P 4/n :2","-P 4a","85","","","","- C30 H28 -","- C30 H28 -","- C60 H56 -","2","0.25","","Guo-Feng Zhang; Ze-Qiang Chen; Matthew P. Aldred; Zhe Hu; Tao Chen; Zhenli Huang; Xianggao Meng; Ming-Qiang Zhu","Direct validation of the restriction of intramolecular rotation hypothesis via the synthesis of novel ortho-methyl substituted tetraphenylethenes and their application in cell imaging","Chem.Commun.","2014","50","","12058","","10.1039/C4cc04241G","","","0.71073","MoKα","","0.0785","0.0651","","","0.1656","0.1827","","","","","","1.075","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115716","16.9615","0.0003","16.9615","0.0003","16.9615","0.0003","90","","90","","90","","4879.7","0.15","100","0.1","100","0.1","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C9 H4 N4 Zn -","- C9 H5 N4 Zn -","- C108 H60 N48 Zn12 -","12","0.25","","Fei Wang; Hong-Ru Fu; Yao Kang; Jian Zhang","A new approach towards zeolitic tetrazolate-imidazolate frameworks (ZTIFs) with uncoordinated N-heteroatom sites for high CO2 uptake","Chem.Commun.","2014","50","","12065","","10.1039/C4cc05022C","","","1.54178","CuKα","","0.0297","0.0293","","","0.0831","0.084","","","","","","1.069","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115717","29.3187","0.0008","29.3187","0.0008","29.3187","0.0008","90","","90","","90","","25201.9","1.2","293","2","293","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C8 H12 N6 Zn -","- C8 H13 N6 Zn -","- C384 H624 N288 Zn48 -","48","0.5","","Fei Wang; Hong-Ru Fu; Yao Kang; Jian Zhang","A new approach towards zeolitic tetrazolate-imidazolate frameworks (ZTIFs) with uncoordinated N-heteroatom sites for high CO2 uptake","Chem.Commun.","2014","50","","12065","","10.1039/C4cc05022C","","","0.71073","MoKα","","0.1072","0.0901","","","0.2642","0.2904","","","","","","1.153","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115718","8.8098","0.0002","21.0038","0.0006","17.4138","0.0005","90","","98.837","0.002","90","","3183.99","0.15","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29.5 H18 B2 Cl F20 N O -","- C29.5 H18 B2 Cl F20 N O -","- C118 H72 B8 Cl4 F80 N4 O4 -","4","2","","Owen J. Metters; Andy M. Chapman; Alasdair P. M. Robertson; Christopher H. Woodall; Paul J. Gates; Duncan F. Wass; Ian Manners","Generation of aminoborane monomers RR'N[double bond, length as m-dash]BH2 from amine-boronium cations [RR'NH-BH2L]^+^: metal catalyst-free formation of polyaminoboranes at ambient temperature","Chem.Commun.","2014","50","","12146","","10.1039/C4cc05145A","","","0.71073","MoKα","","0.087","0.0615","","","0.1609","0.1798","","","","","","1.036","","","","has coordinates,has disorder","182221","2020-10-21","18:00:00",""
"7115719","12.7715","0.0012","6.5471","0.0006","5.2055","0.0005","90","","90","","90","","435.26","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H7 B Cl N -","- C H7 B Cl N -","- C4 H28 B4 Cl4 N4 -","4","0.5","","Owen J. Metters; Andy M. Chapman; Alasdair P. M. Robertson; Christopher H. Woodall; Paul J. Gates; Duncan F. Wass; Ian Manners","Generation of aminoborane monomers RR'N[double bond, length as m-dash]BH2 from amine-boronium cations [RR'NH-BH2L]^+^: metal catalyst-free formation of polyaminoboranes at ambient temperature","Chem.Commun.","2014","50","","12146","","10.1039/C4cc05145A","","","0.71073","MoKα","","0.0237","0.0199","","","0.0518","0.054","","","","","","1.075","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115720","27.371","0.003","27.371","0.003","10.3756","0.0012","90","","90","","120","","6731.7","1.3","296","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","organometallic complex","","- C26 H30 N4 O10 Pd3 -","- C26 H30 N4 O10 Pd3 -","- C234 H270 N36 O90 Pd27 -","9","0.5","","Sandeep Pimparkar; Masilamani Jeganmohan","Palladium-catalyzed cyclization of benzamides with arynes: application to the synthesis of phenaglydon and N-methylcrinasiadine","Chem.Commun.","2014","50","","12116","","10.1039/C4cc05252H","","","0.71073","MoKα","","0.0438","0.0347","","","0.1176","0.1287","","","","","","1.053","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115721","25.5775","0.0018","25.5775","0.0018","25.5775","0.0018","90","","90","","90","","16733","2","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","alpha-IRMOF-3-AMPh","","","- C45 H27 N3 O16 Zn4 -","- C45 H27 N3 O16 Zn4 -","- C360 H216 N24 O128 Zn32 -","8","0.333333","","Dau, Phuong V.; Cohen, Seth M.","Modulating H~2~ sorption in metal‒organic frameworks via ordered functional groups","Chemical Communications (Cambridge, United Kingdom)","2014","50","81","12154","12157","10.1039/c4cc05265j","","","0.71073","MoKα","","0.1271","0.0947","","","0.2677","0.2881","","","","","","1.008","","","","has coordinates","210868","2020-10-21","18:00:00",""
"7115722","25.7009","0.0009","25.7009","0.0009","25.7009","0.0009","90","","90","","90","","16976.4","1","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Beta-IRMOF-3-AMPh","","","- C24 N6 O13 Zn4 -","- C24 N6 O13 Zn4 -","- C192 N48 O104 Zn32 -","8","0.0416667","","Dau, Phuong V.; Cohen, Seth M.","Modulating H~2~ sorption in metal‒organic frameworks via ordered functional groups","Chemical Communications (Cambridge, United Kingdom)","2014","50","81","12154","12157","10.1039/c4cc05265j","","","1.54178","CuKα","","0.078","0.0749","","","0.2656","0.2699","","","","","","1.274","","","","has coordinates","210868","2020-10-21","18:00:00",""
"7115723","25.659","0.0013","25.659","0.0013","25.659","0.0013","90","","90","","90","","16893.5","1.5","100","2","100","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","IRMOF-3-AM2ClPh","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0833333","","Dau, Phuong V.; Cohen, Seth M.","Modulating H~2~ sorption in metal‒organic frameworks via ordered functional groups","Chemical Communications (Cambridge, United Kingdom)","2014","50","81","12154","12157","10.1039/c4cc05265j","","","1.54178","CuKα","","0.1053","0.0832","","","0.249","0.2783","","","","","","1.038","","","","has coordinates","210868","2020-10-21","18:00:00",""
"7115724","25.691","0.0017","25.691","0.0017","25.691","0.0017","90","","90","","90","","16956.8","1.9","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","IRMOF-3-AM3ClPh","","","- C24 N6 O13 Zn4 -","- C24 N6 O13 Zn4 -","- C192 N48 O104 Zn32 -","8","0.0416667","","Dau, Phuong V.; Cohen, Seth M.","Modulating H~2~ sorption in metal‒organic frameworks via ordered functional groups","Chemical Communications (Cambridge, United Kingdom)","2014","50","81","12154","12157","10.1039/c4cc05265j","","","1.54178","CuKα","","0.1035","0.093","","","0.3115","0.3386","","","","","","1.425","","","","has coordinates","210868","2020-10-21","18:00:00",""
"7115725","25.384","0.001","25.384","0.001","25.384","0.001","90","","90","","90","","16356.1","1.1","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","IRMOF-3-AM4ClPh","","","- C45 H24 Cl3 N3 O16 Zn4 -","- C45 H24 Cl3 N3 O16 Zn4 -","- C360 H192 Cl24 N24 O128 Zn32 -","8","0.333333","","Dau, Phuong V.; Cohen, Seth M.","Modulating H~2~ sorption in metal‒organic frameworks via ordered functional groups","Chemical Communications (Cambridge, United Kingdom)","2014","50","81","12154","12157","10.1039/c4cc05265j","","","0.71073","MoKα","","0.1882","0.1544","","","0.4234","0.4419","","","","","","1.576","","","","has coordinates","210868","2020-10-21","18:00:00",""
"7115726","25.6177","0.0009","25.6177","0.0009","25.6177","0.0009","90","","90","","90","","16812","1","100","2","100","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","IRMOF-3-AMCy","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0833333","","Dau, Phuong V.; Cohen, Seth M.","Modulating H~2~ sorption in metal‒organic frameworks via ordered functional groups","Chemical Communications (Cambridge, United Kingdom)","2014","50","81","12154","12157","10.1039/c4cc05265j","","","1.54178","CuKα","","0.1489","0.1331","","","0.3197","0.3407","","","","","","1.359","","","","has coordinates","210868","2020-10-21","18:00:00",""
"7115727","13.306","0.0011","15.0432","0.0012","16.3418","0.0014","105.93","0.001","93.409","0.001","112.27","0.001","2861.3","0.4","192","2","192","2","","","","","","","","9","P -1","-P 1","2","","Bis-(2-ferrocenyl-9-mesityl-1,10-phenanthroline-N,N') copper(i)hexafluorophosphate dichloromethane solvate diethyl ether hemisolvate.","","- C130 H118 Cl4 Cu2 F12 Fe4 N8 O P2 -","- C130 H118 Cl4 Cu2 F12 Fe4 N8 O P2 -","- C130 H118 Cl4 Cu2 F12 Fe4 N8 O P2 -","1","0.5","","Manik Lal Saha; Nikita Mittal; Jan W. Bats; Michael Schmittel","A six-component metallosupramolecular pentagon via self-sorting","Chem.Commun.","2014","50","","12189","","10.1039/C4cc05465B","","","0.71073","MoKα","","0.2006","0.0986","","","0.18","0.2221","","","","","","1.036","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115728","8.9864","0.0012","14.484","0.002","40.078","0.005","90.144","0.01","90.062","0.007","107.934","0.007","4963","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H78 N3 S5 -","- C88 H78 N3 S5 -","- C176 H156 N6 S10 -","2","1","","Ganesan Karthik; A. Srinivasan; C. H. Suresh; Tavarekere K. Chandrashekar","Fused core-modified planar antiaromatic 32pi heptaphyrins: unusual synthesis and structural diversity","Chem.Commun.","2014","50","","12127","","10.1039/C4cc05475J","","","0.71073","MoKα","","0.1314","0.0718","","","0.2041","0.2274","","","","","","0.948","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115729","8.933","0.0002","14.5081","0.0004","40.1827","0.0009","90.036","0.001","89.997","0.001","107.971","0.001","4953.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H79 N3 S3 Se2 -","- C88 H79 N3 S3 Se2 -","- C176 H158 N6 S6 Se4 -","2","1","","Ganesan Karthik; A. Srinivasan; C. H. Suresh; Tavarekere K. Chandrashekar","Fused core-modified planar antiaromatic 32pi heptaphyrins: unusual synthesis and structural diversity","Chem.Commun.","2014","50","","12127","","10.1039/C4cc05475J","","","0.71073","MoKα","","0.156","0.0825","","","0.2686","0.3167","","","","","","1.054","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115730","13.1081","0.0009","9.6334","0.0003","8.0059","0.0003","90","","90","","90","","1010.95","0.09","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Pingping Duan; Xia Lan; Ying Chen; Shao-Song Qian; Jie Jack Li; Liang Lu; Yanbo Lu; Bo Chen,; Mei Hong; Jing Zhao","Rhodium(III)-catalyzed C-H activation/[4+3] annulation of N-phenoxyacetamides and alpha,beta-unsaturated aldehydes: an efficient route to 1,2-oxazepines at room temperature","Chem.Commun.","2014","50","","12135","","10.1039/C4cc05485G","","","1.54187","CuKα","","0.0386","0.0303","","","0.0708","0.0788","","","","","","1.035","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115731","11.9758","0.001","6.7","0.0005","14.3713","0.0011","90","","110.07","0.008","90","","1083.1","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N O3 -","- C11 H17 N O3 -","- C44 H68 N4 O12 -","4","1","","Pingping Duan; Xia Lan; Ying Chen; Shao-Song Qian; Jie Jack Li; Liang Lu; Yanbo Lu; Bo Chen,; Mei Hong; Jing Zhao","Rhodium(III)-catalyzed C-H activation/[4+3] annulation of N-phenoxyacetamides and alpha,beta-unsaturated aldehydes: an efficient route to 1,2-oxazepines at room temperature","Chem.Commun.","2014","50","","12135","","10.1039/C4cc05485G","","","1.54187","CuKα","","0.1146","0.0996","","","0.2607","0.268","","","","","","1.105","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115732","12.7071","0.0002","4.847","","14.6978","0.001","90","","98.347","0.007","90","","895.67","0.06","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H24 N O4 -","- C18 H24 N O4 -","- C36 H48 N2 O8 -","2","1","","Pingping Duan; Xia Lan; Ying Chen; Shao-Song Qian; Jie Jack Li; Liang Lu; Yanbo Lu; Bo Chen,; Mei Hong; Jing Zhao","Rhodium(III)-catalyzed C-H activation/[4+3] annulation of N-phenoxyacetamides and alpha,beta-unsaturated aldehydes: an efficient route to 1,2-oxazepines at room temperature","Chem.Commun.","2014","50","","12135","","10.1039/C4cc05485G","","","1.54187","CuKα","","0.0509","0.047","","","0.1179","0.1291","","","","","","1.071","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115733","20.667","0.003","5.2935","0.0008","9.2989","0.0012","90","","94.551","0.004","90","","1014.1","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Pingping Duan; Xia Lan; Ying Chen; Shao-Song Qian; Jie Jack Li; Liang Lu; Yanbo Lu; Bo Chen,; Mei Hong; Jing Zhao","Rhodium(III)-catalyzed C-H activation/[4+3] annulation of N-phenoxyacetamides and alpha,beta-unsaturated aldehydes: an efficient route to 1,2-oxazepines at room temperature","Chem.Commun.","2014","50","","12135","","10.1039/C4cc05485G","","","0.71073","MoKα","","0.1038","0.0443","","","0.0825","0.0994","","","","","","1.011","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115734","26.1622","0.0018","17.7752","0.0011","15.1251","0.0011","90","","90","","90","","7033.8","0.8","100","2","100","2","","","","","","","Louise Karagiannidis","7","P b c a","-P 2ac 2ab","61","","","","- C29 H46 Cl F10 N3 O S2 -","- C29 H46 Cl F10 N3 O S2 -","- C232 H368 Cl8 F80 N24 O8 S16 -","8","1","","Louise E. Karagiannidis; Cally J. E. Haynes; Katie J. Holder; Isabelle L. Kirby; Stephen J. Moore; Neil J. Wells; Philip A. Gale","Highly effective yet simple transmembrane anion transporters based upon ortho-phenylenediamine bis-ureas","Chem.Commun.","2014","50","","12050","","10.1039/C4cc05519E","","","0.71075","MoKα","","0.0524","0.0334","","","0.0804","0.0858","","","","","","0.99","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115735","15.6225","0.0011","17.683","0.0012","18.4051","0.0013","71.341","0.005","69.884","0.005","67.95","0.005","4317.4","0.6","100","2","100","2","","","","","","","Louise Karaagiannidis","7","P -1","-P 1","2","","","","- C74 H110 Cl2 F20 N10 O5 S5 -","- C74 H110 Cl2 F20 N10 O5 S5 -","- C148 H220 Cl4 F40 N20 O10 S10 -","2","1","","Louise E. Karagiannidis; Cally J. E. Haynes; Katie J. Holder; Isabelle L. Kirby; Stephen J. Moore; Neil J. Wells; Philip A. Gale","Highly effective yet simple transmembrane anion transporters based upon ortho-phenylenediamine bis-ureas","Chem.Commun.","2014","50","","12050","","10.1039/C4cc05519E","","","0.71075","MoKα","","0.1205","0.0581","","","0.109","0.1361","","","","","","0.988","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115736","7.3305","0.0019","23.581","0.006","15.409","0.004","90","","97.282","0.004","90","","2642.1","1.2","100","2","100","2","","","","","","","Katie Holder","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl F2 N7 O6 -","- C24 H26 Cl F2 N7 O6 -","- C96 H104 Cl4 F8 N28 O24 -","4","1","","Louise E. Karagiannidis; Cally J. E. Haynes; Katie J. Holder; Isabelle L. Kirby; Stephen J. Moore; Neil J. Wells; Philip A. Gale","Highly effective yet simple transmembrane anion transporters based upon ortho-phenylenediamine bis-ureas","Chem.Commun.","2014","50","","12050","","10.1039/C4cc05519E","","","0.71075","MoKα","","0.0625","0.0548","","","0.1113","0.1148","","","","","","1.17","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115737","11.074","0.003","12.584","0.003","15.635","0.003","90","","98.076","0.004","90","","2157.2","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","zs-spiro","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C92 H100 N4 O20 S4 -","4","1","","Shuo Zhang; Zhengliang Xu; Jiong Jia; Chen-Ho Tung; Zhenghu Xu","Synthesis of spiroaminals by bimetallic Au/Sc relay catalysis: TMS as a traceless controlling group","Chem.Commun.","2014","50","","12084","","10.1039/C4cc05610H","","","0.71073","MoKα","","0.1692","0.0575","","","0.1234","0.1679","","","","","","0.924","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115738","19.2148","0.0014","13.3436","0.0008","10.6713","0.0005","90","","95.038","0.006","90","","2725.5","0.3","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H24 N32 O0 Zn4 -","- C16 H24 N32 Zn4 -","- C32 H48 N64 Zn8 -","2","1","","Shunshun Xiong; Youjin Gong; Hongxia Wang; Hailong Wang; Qiang Liu; Mei Gu; Xiaolin Wang; Banglin Chen; Zhiyong Wang","A new tetrazolate zeolite-like framework for highly selective CO2/CH4 and CO2/N2 separation","Chem.Commun.","2014","50","","12101","","10.1039/C4cc05729E","","","0.71073","MoKα","","0.078","0.0486","","","0.127","0.1374","","","","","","1.007","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115739","18.819","0.004","18.819","0.004","38.603","0.015","90","","90","","120","","11840","6","296","2","296","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C66 H24 Cu6 N6 O32 S3 -","- C66 H24 Cu6 N6 O32 S3 -","- C198 H72 Cu18 N18 O96 S9 -","3","0.0833333","","Chengling Song; Yabing He; Bin Li; Yajing Ling; Hailong Wang; Yunlong Feng; Rajamani Krishna; Banglin Chen","Enhanced CO2 sorption and selectivity by functionalization of a NbO-type metal-organic framework with polarized benzothiadiazole moieties","Chem.Commun.","2014","50","","12105","","10.1039/C4cc05833J","","","0.71073","MoKα","","0.0612","0.0544","","","0.1823","0.191","","","","","","1.132","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7115740","11.8503","0.0005","12.3444","0.0005","14.6936","0.0006","104.263","0.003","90.576","0.003","105.922","0.003","1996.31","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H44 Al2 N4 O16 -","- C62 H38 Al2 N4 O16 -","- C62 H38 Al2 N4 O16 -","1","0.5","","Virginie Bereau; Carine Duhayon; Jean-Pascal Sutter","Supramolecular control over recognition and efficient detection of picric acid","Chem.Commun.","2014","50","","12061","","10.1039/C4cc05888G","","","1.5418","CuKα","","0.0728","0.066","","0.0842","0.0808","0.0797","","","","","","1.0742","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7115741","11.8132","0.0005","15.0997","0.0007","25.2353","0.0005","96.757","0.002","96.333","0.002","108.853","0.004","4177.3","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H58 Al2 N10 O30 -","- C78 H54 Al2 N10 O30 -","- C156 H108 Al4 N20 O60 -","2","1","","Virginie Bereau; Carine Duhayon; Jean-Pascal Sutter","Supramolecular control over recognition and efficient detection of picric acid","Chem.Commun.","2014","50","","12061","","10.1039/C4cc05888G","","","1.5418","CuKα","","0.1177","0.0804","","0.1152","0.0881","0.0885","","","","","","1.059","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115742","9.3142","0.0015","11.313","0.0017","11.6842","0.0019","74.397","0.007","88.276","0.007","70.465","0.006","1115.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54 Al2 N6 O20 -","- C40 H54 Al2 N6 O20 -","- C40 H54 Al2 N6 O20 -","1","0.5","","Virginie Bereau; Carine Duhayon; Jean-Pascal Sutter","Supramolecular control over recognition and efficient detection of picric acid","Chem.Commun.","2014","50","","12061","","10.1039/C4cc05888G","","","0.71073","MoKα","","0.1132","0.0643","","0.1191","0.0652","0.0652","","","","","","1.1292","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115743","9.8125","0.0003","14.2149","0.0005","14.358","0.0006","81.339","0.002","71.164","0.002","86.24","0.002","1873.53","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H40 N6 -","- C42 H40 N6 -","- C84 H80 N12 -","2","1","","Mohamed El Garah; Artur Ciesielski; Nicolas Marets; Veronique Bulach; Mir Wais Hosseini; Paolo Samori","Molecular tectonics based nanopatterning of interfaces with 2D metal-organic frameworks (MOFs)","Chem.Commun.","2014","50","","12250","","10.1039/C4cc03622K","","","0.71073","MoKα","","0.1394","0.0661","","","0.1792","0.2005","","","","","","1.028","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115744","29.2489","0.0004","29.2489","0.0004","29.2489","0.0004","90","","90","","90","","25022.4","0.6","293","2","293","2","","","","","","","","8","I -4 3 m","I -4 2 3","217","","","","- C9 H13 Cu Fe0.5 I N O P -","- C9 H13 Cu Fe0.5 I N O P -","- C432 H624 Cu48 Fe24 I48 N48 O48 P48 -","48","1","","Mujahuddin M. Siddiqui; Shaikh M. Mobin; Irena Senkovska; Stefan Kaskel; Maravanji S. Balakrishna","Novel zeotype frameworks with soft cyclodiphosphazane linkers and soft Cu4X4 clusters as nodes","Chem.Commun.","2014","50","","12273","","10.1039/C4cc03810J","","","0.71073","MoKα","","0.0972","0.068","","","0.1517","0.186","","","","","","1.119","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115745","28.8993","0.0005","28.8993","0.0005","28.8993","0.0005","90","","90","","90","","24135.8","0.7","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C18 H26 Br2 Cu2 Fe N2 P2 -","- C18 H26 Br2 Cu2 Fe N2 P2 -","- C432 H624 Br48 Cu48 Fe24 N48 P48 -","24","0.5","","Mujahuddin M. Siddiqui; Shaikh M. Mobin; Irena Senkovska; Stefan Kaskel; Maravanji S. Balakrishna","Novel zeotype frameworks with soft cyclodiphosphazane linkers and soft Cu4X4 clusters as nodes","Chem.Commun.","2014","50","","12273","","10.1039/C4cc03810J","","","0.71073","MoKα","","0.0707","0.0414","","","0.0822","0.0965","","","","","","1.113","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115746","8.741","0.0004","21.4064","0.001","19.0397","0.0009","90","","99.26","0.001","90","","3516.2","0.3","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H56 Bi In N2 -","- C35 H56 Bi In N2 -","- C140 H224 Bi4 In4 N8 -","4","1","","C. Ganesamoorthy; D. Blaser; C. Wolper; S. Schulz","Sequential Bi-C bond activation reactions of BiEt3via insertion reactions of RE {R = HC[C(Me)N(2,6-i-Pr2C6H3)]2; E = Al, Ga, In}","Chem.Commun.","2014","50","","12382","","10.1039/C4cc05028B","","","0.71073","MoKα","","0.0353","0.0283","","","0.0603","0.0631","","","","","","1.103","","","","has coordinates","184031","2020-10-21","18:00:00",""
"7115747","10.3656","0.0018","12.119","0.002","13.7","0.002","71.293","0.006","75.982","0.006","73.618","0.006","1541.9","0.4","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H51 Ga N2 -","- C33 H51 Ga N2 -","- C66 H102 Ga2 N4 -","2","1","","C. Ganesamoorthy; D. Blaser; C. Wolper; S. Schulz","Sequential Bi-C bond activation reactions of BiEt3via insertion reactions of RE {R = HC[C(Me)N(2,6-i-Pr2C6H3)]2; E = Al, Ga, In}","Chem.Commun.","2014","50","","12382","","10.1039/C4cc05028B","","","0.71073","MoKα","","0.0296","0.0269","","","0.0732","0.0751","","","","","","1.039","","","","has coordinates","184031","2020-10-21","18:00:00",""
"7115748","9.0994","0.0006","12.0444","0.0009","16.5176","0.0012","74.379","0.002","79.774","0.002","85.921","0.002","1715.2","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H56 Bi Ga N2 -","- C35 H56 Bi Ga N2 -","- C70 H112 Bi2 Ga2 N4 -","2","1","","C. Ganesamoorthy; D. Blaser; C. Wolper; S. Schulz","Sequential Bi-C bond activation reactions of BiEt3via insertion reactions of RE {R = HC[C(Me)N(2,6-i-Pr2C6H3)]2; E = Al, Ga, In}","Chem.Commun.","2014","50","","12382","","10.1039/C4cc05028B","","","0.71073","MoKα","","0.0313","0.0278","","","0.0671","0.0693","","","","","","1.046","","","","has coordinates","184031","2020-10-21","18:00:00",""
"7115749","11.594","0.0015","12.2244","0.0016","12.6546","0.0016","72.804","0.006","88.915","0.006","89.682","0.006","1713.1","0.4","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H56 Al Bi N2 -","- C35 H56 Al Bi N2 -","- C70 H112 Al2 Bi2 N4 -","2","1","","C. Ganesamoorthy; D. Blaser; C. Wolper; S. Schulz","Sequential Bi-C bond activation reactions of BiEt3via insertion reactions of RE {R = HC[C(Me)N(2,6-i-Pr2C6H3)]2; E = Al, Ga, In}","Chem.Commun.","2014","50","","12382","","10.1039/C4cc05028B","","","0.71073","MoKα","","0.0194","0.0175","","","0.043","0.0437","","","","","","1.042","","","","has coordinates","184031","2020-10-21","18:00:00",""
"7115750","13.9796","0.0002","15.2329","0.0002","13.2072","0.0002","90","","90","","90","","2812.47","0.07","297","2","297","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H36 Bi N7 O9 -","- C24 H36 Bi N7 O9 -","- C96 H144 Bi4 N28 O36 -","4","0.5","","Luis M. P. Lima; Maryline Beyler; Fatima Oukhatar; Patricia Le Saec; Alain Faivre-Chauvet; Carlos Platas-Iglesias; Rita Delgado; Raphael Tripier","H2Me-do2pa: an attractive chelator with fast, stable and inert natBi3+ and 213Bi3+ complexation for potential alpha-radioimmunotherapy applications","Chem.Commun.","2014","50","","12371","","10.1039/C4cc05529B","","x-ray","0.71073","MoKα","","0.0385","0.0175","","","0.045","0.0476","","","","","","0.967","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7115751","7.9139","0.0016","15.284","0.003","14.611","0.003","90","","90.99","0.03","90","","1767","0.6","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Co(quinoline)2I2","","","- C18 H14 Co I2 N2 -","- C18 H14 Co I2 N2 -","- C72 H56 Co4 I8 N8 -","4","1","","Mohamed R. Saber; Kim R. Dunbar","Ligands effects on the magnetic anisotropy of tetrahedral cobalt complexes","Chem.Commun.","2014","50","","12266","","10.1039/C4cc05724D","","","0.71073","MoKα","","0.0327","0.0255","","","0.053","0.056","","","","","","1.046","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115752","19.165","0.004","10.198","0.002","17.929","0.004","90","","112.23","0.03","90","","3243.7","1.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co(PPh3)2I2","","","- C36 H30 Co I2 P2 -","- C36 H30 Co I2 P2 -","- C144 H120 Co4 I8 P8 -","4","1","","Mohamed R. Saber; Kim R. Dunbar","Ligands effects on the magnetic anisotropy of tetrahedral cobalt complexes","Chem.Commun.","2014","50","","12266","","10.1039/C4cc05724D","","","0.71073","MoKα","","0.0291","0.0236","","","0.0535","0.0562","","","","","","1.026","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115753","19.117","0.004","10.215","0.002","18.245","0.004","90","","111.72","0.03","90","","3309.9","1.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co(AsPh3)2I2","","","- C36 H30 As2 Co I2 -","- C36 H30 As2 Co I2 -","- C144 H120 As8 Co4 I8 -","4","1","","Mohamed R. Saber; Kim R. Dunbar","Ligands effects on the magnetic anisotropy of tetrahedral cobalt complexes","Chem.Commun.","2014","50","","12266","","10.1039/C4cc05724D","","","0.71073","MoKα","","0.0395","0.0355","","","0.0839","0.0861","","","","","","1.055","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115754","10.9355","0.0013","18.231","0.002","12.2805","0.0015","90","","109.896","0.004","90","","2302.2","0.5","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C120 H112 N8 -","4","1","","Di Wu; Yongxin Li; Rakesh Ganguly; Rei Kinjo","Synthesis and structural characterization of a C4 cumulene including 4-pyridylidene units, and its reactivity towards ammonia-borane","Chem.Commun.","2014","50","","12378","","10.1039/C4cc05886K","","","0.71073","MoKα","","0.0671","0.0457","","","0.1141","0.1322","","","","","","1.035","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115755","23.567","0.003","23.567","0.003","12.095","0.0014","90","","90","","120","","5817.6","1.2","103","2","103","2","","","","","","","","3","R -3","-R 3","148","","","","- C32 H34 N2 -","- C32 H34 N2 -","- C288 H306 N18 -","9","","","Di Wu; Yongxin Li; Rakesh Ganguly; Rei Kinjo","Synthesis and structural characterization of a C4 cumulene including 4-pyridylidene units, and its reactivity towards ammonia-borane","Chem.Commun.","2014","50","","12378","","10.1039/C4cc05886K","","","0.71073","","","0.1762","0.0875","","","0.239","0.304","","","","","","1.074","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115756","23.7045","0.0015","23.7045","0.0015","11.91","0.0008","90","","90","","120","","5795.7","0.6","103","2","103","2","","","","","","","","3","R -3","-R 3","148","","","","- C32 H36 N2 -","- C32 H36 N2 -","- C288 H324 N18 -","9","","","Di Wu; Yongxin Li; Rakesh Ganguly; Rei Kinjo","Synthesis and structural characterization of a C4 cumulene including 4-pyridylidene units, and its reactivity towards ammonia-borane","Chem.Commun.","2014","50","","12378","","10.1039/C4cc05886K","","","0.71073","MoKα","","0.1208","0.0635","","","0.1428","0.172","","","","","","1.022","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115757","13.247","0.003","11.312","0.003","14.218","0.004","90","","109.78","0.016","90","","2004.9","0.9","100","","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O2 S -","- C25 H22 N2 O2 S -","- C100 H88 N8 O8 S4 -","4","1","","Hui Li; Xiaoxun Li; Hao-Yuan Wang; Gabrielle N. Winston-McPherson; Hao-miao Julie Geng; Ilia A. Guzei; Weiping Tang","Copper-catalyzed tandem annulation/arylation for the synthesis of diindolylmethanes from propargylic alcohols","Chem.Commun.","2014","50","","12293","","10.1039/C4cc05901H","","x-ray","0.71073","MoKα","","0.0384","0.037","","","0.1","0.1014","","","","","","1.046","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115758","14.1262","0.0011","9.3818","0.0005","20.2526","0.0008","90","","108.247","0.005","90","","2549.1","0.3","100","2","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 N2 O2 S -","- C31 H26 N2 O2 S -","- C124 H104 N8 O8 S4 -","4","1","","Hui Li; Xiaoxun Li; Hao-Yuan Wang; Gabrielle N. Winston-McPherson; Hao-miao Julie Geng; Ilia A. Guzei; Weiping Tang","Copper-catalyzed tandem annulation/arylation for the synthesis of diindolylmethanes from propargylic alcohols","Chem.Commun.","2014","50","","12293","","10.1039/C4cc05901H","","x-ray","1.54178","CuKα","","0.0349","0.0348","","","0.0892","0.0893","","","","","","1.055","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115759","7.1284","0.0002","9.7853","0.0002","18.2084","0.0005","90","","94.13","0.002","90","","1266.8","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Mo(CO)4(PH2C(O)NH2)2","","- C6 H8 Mo N2 O6 P2 -","- C6 H8 Mo N2 O6 P2 -","- C24 H32 Mo4 N8 O24 P8 -","4","1","","M. B. Geeson; A. R. Jupp; J. E. McGrady; J. M. Goicoechea","On the coordination chemistry of phosphinecarboxamide: assessing ligand basicity","Chem.Commun.","2014","50","","12281","","10.1039/C4cc06094F","","","1.54178","","","0.0193","0.0187","","","0.0507","0.0512","","","","","","1.073","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7115760","7.7787","0.001","8.3955","0.0011","15.691","0.002","90","","93.859","0.002","90","","1022.4","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C48 H48 N8 -","4","1","","Jia Meng; Yi-Jin Li; Yu-Long Zhao; Xiu-Bin Bu; Qun Liu","A base-catalyzed cycloisomerization of 5-cyano-pentyne derivatives: an efficient synthesis of 3-cyano-4,5-dihydro-1H-pyrroles","Chem.Commun.","2014","50","","12490","","10.1039/C4cc04409F","","","0.71073","MoKα","","0.0925","0.0523","","","0.1252","0.1485","","","","","","1.009","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115761","11.156","0.004","21.026","0.006","21.582","0.007","90","","96.297","0.004","90","","5032","3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[5,6]-pyrrolidino-Sc3N@C80(2a)","","","- C88 H15 N2 O2 Sc3 -","- C88 H15 N2 O2 Sc3 -","- C352 H60 N8 O8 Sc12 -","4","1","","Yutaka Maeda; Masato Kimura; Chihiro Ueda; Michio Yamada; Toru Kikuchi; Mitsuaki Suzuki; Wei-Wei Wang; Naomi Mizorogi; Nikolaos Karousis; Nikos Tagmatarchis; Tadashi Hasegawa; Marilyn M. Olmstead; Alan L. Balch; Shigeru Nagase; Takeshi Akasaka","Isolation and characterization of [5,6]-pyrrolidino-Sc3N@Ih-C80 diastereomers","Chem.Commun.","2014","50","","12552","","10.1039/C4cc04946B","","","0.71073","MoKα","","0.1587","0.1246","","","0.3414","0.3595","","","","","","1.032","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115762","34.891","0.004","6.7332","0.0007","7.8957","0.0009","90","","90","","90","","1854.9","0.4","100","","100","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C16 H27 F N O2 P S -","- C16 H27 F N O2 P S -","- C64 H108 F4 N4 O8 P4 S4 -","4","1","","Toshiaki Murai; Takae Hayashi; Kyohei Yamada; Yuuki Maekawa; Mao Minoura","Fluorinative hydrolysis of phosphorothioic acid esters with a binaphthyl group through axis-to-center chirality transfer leading to the formation of P-chiral phosphorothioic monofluoridic acid salts","Chem.Commun.","2014","50","","12473","","10.1039/C4cc05198J","","","0.71073","MoKα","","0.0378","0.0346","","","0.0942","0.1018","","","","","","1.186","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115763","7.4568","0.0011","10.4808","0.0016","10.804","0.003","110.442","0.003","98.772","0.004","103.159","0.002","745.1","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Cl N O S2 -","- C16 H12 Cl N O S2 -","- C32 H24 Cl2 N2 O2 S4 -","2","1","","Fei Huang; Ping Wu; Liandi Wang; Jiping Chen; Chenglin Sun; Zhengkun Yu","Copper-mediated intramolecular oxidative C-H/N-H cross-coupling of alpha-alkenoyl ketene N,S-acetals to synthesize pyrrolone derivatives","Chem.Commun.","2014","50","","12479","","10.1039/C4cc05837B","","","0.71073","MoKα","","0.048","0.0399","","","0.123","0.1347","","","","","","1.071","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115764","20.971","0.009","20.21","0.009","10.319","0.005","90","","95.733","0.007","90","","4352","3","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","none","C8F-4ClPDI","","- C40 H8 Cl4 F30 N2 O4 -","- C40 H8 Cl4 F30 N2 O4 -","- C160 H32 Cl16 F120 N8 O16 -","4","1","","Chunming Liu; Chengyi Xiao; Yan Li; Wenping Hu; Zhibo Li; Zhaohui Wang","High performance, air stable n-type single crystal transistors based on core-tetrachlorinated perylene diimides","Chem.Commun.","2014","50","","12462","","10.1039/C4cc05896H","","","0.71073","MoKα","","0.1118","0.096","","","0.2436","0.2576","","","","","","1.198","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115765","8.705","0.002","9.823","0.003","11.361","0.003","90","","97.49","0.006","90","","963.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N O -","- C22 H24 Br N O -","- C44 H48 Br2 N2 O2 -","2","1","","Mu-Wang Chen; Xian-Feng Cai; Zhang-Pei Chen; Lei Shi; Yong-Gui Zhou","Facile construction of three contiguous stereogenic centers via dynamic kinetic resolution in asymmetric transfer hydrogenation of quinolines","Chem.Commun.","2014","50","","12526","","10.1039/C4cc06060A","","","0.71073","MoKα","","0.063","0.0411","","","0.0912","0.1014","","","","","","0.999","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115766","13.1797","0.0003","14.2791","0.0003","15.1502","0.0003","96.4947","0.0011","90.2543","0.0011","93.9588","0.0011","2825.91","0.1","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H37 F N O6 P Si2 W -","- C21 H37 F N O6 P Si2 W -","- C84 H148 F4 N4 O24 P4 Si8 W4 -","4","2","","Vitaly Nesterov; Zheng-Wang Qu; Gregor Schnakenburg; Stefan Grimme; Rainer Streubel","Selective phosphanyl complex trapping using TEMPO. Synthesis and reactivity of P-functional P-nitroxyl phosphane complexes","Chem.Commun.","2014","50","","12508","","10.1039/C4cc06084A","","","0.71073","MoKα","","0.029","0.0235","","","0.0557","0.0574","","","","","","1.002","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115767","14.7971","0.0004","15.3781","0.0004","12.4122","0.0003","90","","95.438","0.002","90","","2811.7","0.13","123","","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 N O6 P Si2 W -","- C21 H39 N O6 P Si2 W -","- C84 H156 N4 O24 P4 Si8 W4 -","4","1","","Vitaly Nesterov; Zheng-Wang Qu; Gregor Schnakenburg; Stefan Grimme; Rainer Streubel","Selective phosphanyl complex trapping using TEMPO. Synthesis and reactivity of P-functional P-nitroxyl phosphane complexes","Chem.Commun.","2014","50","","12508","","10.1039/C4cc06084A","","","0.71073","MoKα","","0.0452","0.0308","","","0.0554","0.0577","","","","","","0.935","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115768","9.1438","0.0007","12.6924","0.001","13.4939","0.0011","80.702","0.003","85.6","0.003","71.974","0.003","1469","0.2","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H39 F N O6 P Si2 W -","- C21 H39 F N O6 P Si2 W -","- C42 H78 F2 N2 O12 P2 Si4 W2 -","2","1","","Vitaly Nesterov; Zheng-Wang Qu; Gregor Schnakenburg; Stefan Grimme; Rainer Streubel","Selective phosphanyl complex trapping using TEMPO. Synthesis and reactivity of P-functional P-nitroxyl phosphane complexes","Chem.Commun.","2014","50","","12508","","10.1039/C4cc06084A","","","0.71073","MoKα","","0.0838","0.0544","","","0.1136","0.1339","","","","","","1.086","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115769","10.0802","0.0008","9.8139","0.0008","19.8569","0.0015","90","","90.1493","0.0009","90","","1964.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N5 O -","- C20 H25 N5 O -","- C80 H100 N20 O4 -","4","1","","Cooper W. Johnston; Travis R. Schwantje; Michael J. Ferguson; Robert McDonald; Robin G. Hicks","Metal coordination, and metal-ligand redox non-innocence, modulates allosteric C-N bond homolysis in an N-benzyl tetrazine","Chem.Commun.","2014","50","","12542","","10.1039/C4cc06235C","","","0.71073","MoKα","","0.0516","0.041","","","0.1041","0.1125","","","","","","1.048","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115770","20.7821","0.0004","7.8915","0.0001","23.1429","0.0004","90","","115.71","0.001","90","","3419.73","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 F12 N5 O5 Ru -","- C30 H27 F12 N5 O5 Ru -","- C120 H108 F48 N20 O20 Ru4 -","4","1","","Cooper W. Johnston; Travis R. Schwantje; Michael J. Ferguson; Robert McDonald; Robin G. Hicks","Metal coordination, and metal-ligand redox non-innocence, modulates allosteric C-N bond homolysis in an N-benzyl tetrazine","Chem.Commun.","2014","50","","12542","","10.1039/C4cc06235C","","","1.54178","CuKα","","0.0301","0.0288","","","0.0752","0.0764","","","","","","1.054","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115771","9.9861","0.0005","9.1996","0.0005","16.6035","0.0008","90","","90","","90","","1525.33","0.13","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,5-(diamidoximyl)imidazole","","- C5 H8 N6 O2 -","- C5 H8 N6 O2 -","- C40 H64 N48 O16 -","8","1","","Steven P. Kelley; Patrick S. Barber; Peter H. K. Mullins; Robin D. Rogers","Structural clues to UO2^2+^/VO^2+^ competition in seawater extraction using amidoxime-based extractants","Chem.Commun.","2014","50","","12504","","10.1039/C4cc06370H","","","0.71073","MoKα","","0.0454","0.0334","","","0.1084","0.1208","","","","","","0.953","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115772","16.9496","0.0008","7.4133","0.0004","16.5253","0.0008","90","","111.845","0.002","90","","1927.34","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","di(dioxo-4,5-amidiximatoimidazole-vanadium(V)) dihydrate","","- C10 H18 N12 O10 V2 -","- C10 H18 N12 O10 V2 -","- C40 H72 N48 O40 V8 -","4","0.5","","Steven P. Kelley; Patrick S. Barber; Peter H. K. Mullins; Robin D. Rogers","Structural clues to UO2^2+^/VO^2+^ competition in seawater extraction using amidoxime-based extractants","Chem.Commun.","2014","50","","12504","","10.1039/C4cc06370H","","","0.71073","MoKα","","0.0663","0.0426","","","0.1022","0.1134","","","","","","1.024","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115773","12.738","0.0006","21.4891","0.0011","10.819","0.0006","90","","67.784","0.002","90","","2741.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","di(aqua)4,5-diamidoximatoimidazoledioxouranium(VI) trihydrate","","- C5 H16 N6 O9 U -","- C5 H16 N6 O9 U -","- C40 H128 N48 O72 U8 -","8","2","","Steven P. Kelley; Patrick S. Barber; Peter H. K. Mullins; Robin D. Rogers","Structural clues to UO2^2+^/VO^2+^ competition in seawater extraction using amidoxime-based extractants","Chem.Commun.","2014","50","","12504","","10.1039/C4cc06370H","","","0.71073","MoKα","","0.0678","0.0579","","","0.1476","0.1586","","","","","","1.043","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115774","11.2648","0.0008","11.2648","0.0008","21.2304","0.0015","90","","90","","120","","2333.1","0.3","173","2","173","2","","","","","","","","4","P 65","P 65","170","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C102 H126 N6 O18 -","6","1","","Dilip V. Patil; Hyun-Sub Park; Jaeyoung Koo; Jin Wook Han; Seunghoon Shin","Aerobic oxygenative cleavage of electron deficient C-C triple bonds in the gold-catalyzed cyclization of 1,6-enynes","Chem.Commun.","2014","50","","12722","","10.1039/C4cc04153D","","","0.71073","MoKα","","0.1063","0.0563","","","0.116","0.1336","","","","","","1.032","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115775","11.7659","0.0003","13.1216","0.0004","19.8185","0.0005","103.757","0.0016","92.1867","0.0016","107.097","0.0015","2821.3","0.14","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N2 O5 S2 -","- C32 H30 N2 O5 S2 -","- C128 H120 N8 O20 S8 -","4","2","","Takuya Yokosaka; Tetsuhiro Nemoto; Hiroki Nakayama; Naoki Shiga; Yasumasa Hamada","Synthesis of nitrogen-containing fused-polycyclic compounds from tyramine derivatives using phenol dearomatization and cascade cyclization","Chem.Commun.","2014","50","","12775","","10.1039/C4cc04809A","","","1.54187","CuKα","","","0.0782","","","","0.1915","","","","","","1.068","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115776","10.76675","0.00019","17.892","0.0004","14.4006","0.0003","90","","92.0238","0.0009","90","","2772.38","0.1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N2 O5 S2 -","- C32 H30 N2 O5 S2 -","- C128 H120 N8 O20 S8 -","4","1","","Takuya Yokosaka; Tetsuhiro Nemoto; Hiroki Nakayama; Naoki Shiga; Yasumasa Hamada","Synthesis of nitrogen-containing fused-polycyclic compounds from tyramine derivatives using phenol dearomatization and cascade cyclization","Chem.Commun.","2014","50","","12775","","10.1039/C4cc04809A","","","1.54187","CuKα","","","0.0593","","","","0.148","","","","","","1.1","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115777","15.3901","0.0004","14.1529","0.0003","16.9834","0.0005","90","","110.025","0.003","90","","3475.59","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H49 Cl N4 Si -","- C38 H49 Cl N4 Si -","- C152 H196 Cl4 N16 Si4 -","4","1","","Syed Usman Ahmad; Tibor Szilvasi; Shigeyoshi Inoue","A facile access to a novel NHC-stabilized silyliumylidene ion and C-H activation of phenylacetylene","Chem.Commun.","2014","50","","12619","","10.1039/C4cc05181E","","","1.5418","CuKα","","0.056","0.0496","","","0.1343","0.1415","","","","","","1.033","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115778","26.3057","0.0003","8.3377","0.0001","34.2192","0.0004","90","","99.146","0.001","90","","7409.85","0.15","150","2","150","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 Si -","- C48 H42 Si -","- C384 H336 Si8 -","8","1","","Syed Usman Ahmad; Tibor Szilvasi; Shigeyoshi Inoue","A facile access to a novel NHC-stabilized silyliumylidene ion and C-H activation of phenylacetylene","Chem.Commun.","2014","50","","12619","","10.1039/C4cc05181E","","x-ray","1.54184","CuKα","","0.047","0.0414","","","0.1147","0.1203","","","","","","1.026","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115779","5.925","0.0001","21.571","0.0004","14.937","0.0003","90","","98.009","0.001","90","","1890.45","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 N3 O -","- C20 H29 N3 O -","- C80 H116 N12 O4 -","4","1","","Merle Arrowsmith; William M. S. Shepherd; Michael S. Hill; Gabriele Kociok-Kohn","Alkaline earth catalysis for the 100% atom-efficient three component assembly of imidazolidin-2-ones","Chem.Commun.","2014","50","","12676","","10.1039/C4cc05223D","","","0.71073","MoKα","","0.0885","0.0518","","","0.1214","0.1381","","","","","","1.056","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115780","9.6521","0.0002","10.7206","0.0003","12.8289","0.0004","101.305","0.0011","99.6262","0.0012","97.8647","0.0015","1263.5","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H37 N3 O -","- C28 H37 N3 O -","- C56 H74 N6 O2 -","2","1","","Merle Arrowsmith; William M. S. Shepherd; Michael S. Hill; Gabriele Kociok-Kohn","Alkaline earth catalysis for the 100% atom-efficient three component assembly of imidazolidin-2-ones","Chem.Commun.","2014","50","","12676","","10.1039/C4cc05223D","","","0.71073","MoKα","","0.0865","0.0513","","","0.1142","0.1304","","","","","","1.028","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115781","10.1968","0.0002","10.6378","0.0002","25.6421","0.0005","89.1862","0.0009","87.2201","0.0009","87.8363","0.0012","2775.97","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H80 Mg N6 O3 -","- C60 H80 Mg N6 O3 -","- C120 H160 Mg2 N12 O6 -","2","1","","Merle Arrowsmith; William M. S. Shepherd; Michael S. Hill; Gabriele Kociok-Kohn","Alkaline earth catalysis for the 100% atom-efficient three component assembly of imidazolidin-2-ones","Chem.Commun.","2014","50","","12676","","10.1039/C4cc05223D","","","0.71073","MoKα","","0.1041","0.0788","","","0.2077","0.2229","","","","","","1.104","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115782","12.4626","0.0006","6.6321","0.0003","13.828","0.0007","90","","90","","90","","1142.93","0.1","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C11 H10 B Br F2 N2 -","- C11 H10 B Br F2 N2 -","- C44 H40 B4 Br4 F8 N8 -","4","0.5","","Marcel Wirtz; Andreas Gruter; Philipp Rebmann; Tobias Dier; Dietrich A. Volmer; Volker Huch; Gregor Jung","Two-color emissive probes for click reactions","Chem.Commun.","2014","50","","12694","","10.1039/C4cc05288A","","","0.71073","MoKα","","0.0783","0.0609","","","0.1703","0.1797","","","","","","1.125","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115783","7.3108","0.001","8.5603","0.0012","10.3487","0.0015","93.027","0.007","95.908","0.006","113.336","0.006","588.4","0.15","132","2","132","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 B F2 I N2 -","- C11 H10 B F2 I N2 -","- C22 H20 B2 F4 I2 N4 -","2","1","","Marcel Wirtz; Andreas Gruter; Philipp Rebmann; Tobias Dier; Dietrich A. Volmer; Volker Huch; Gregor Jung","Two-color emissive probes for click reactions","Chem.Commun.","2014","50","","12694","","10.1039/C4cc05288A","","","0.71073","MoKα","","0.0332","0.0248","","","0.0599","0.0645","","","","","","1.03","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115784","23.5959","0.0003","11.5341","0.0003","12.3552","0.0005","90","","90","","90","","3362.56","0.17","163","2","163","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C16 H19 B F2 N2 Si -","- C16 H19 B F2 N2 Si -","- C128 H152 B8 F16 N16 Si8 -","8","2","","Marcel Wirtz; Andreas Gruter; Philipp Rebmann; Tobias Dier; Dietrich A. Volmer; Volker Huch; Gregor Jung","Two-color emissive probes for click reactions","Chem.Commun.","2014","50","","12694","","10.1039/C4cc05288A","","","0.71073","MoKα","","0.0474","0.037","","","0.0887","0.0945","","","","","","1.04","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115785","7.0599","0.0004","9.2121","0.0007","13.9179","0.0007","88.475","0.003","76.337","0.004","72.777","0.004","839.2","0.09","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 B F2 N2 Si -","- C16 H19 B F2 N2 Si -","- C32 H38 B2 F4 N4 Si2 -","2","1","","Marcel Wirtz; Andreas Gruter; Philipp Rebmann; Tobias Dier; Dietrich A. Volmer; Volker Huch; Gregor Jung","Two-color emissive probes for click reactions","Chem.Commun.","2014","50","","12694","","10.1039/C4cc05288A","","","0.71073","MoKα","","0.0764","0.0484","","","0.122","0.1377","","","","","","1.035","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115786","27.525","0.004","27.525","0.004","24.215","0.005","90","","90","","120","","15888","5","100","2","100","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","[Zn(Ni(pedt)2)2(O)2]","","","- C28 H20 N4 Ni2 O2 S8 Zn -","- C28 H20 N4 Ni2 O2 S8 Zn -","- C168 H120 N24 Ni12 O12 S48 Zn6 -","6","1","","Thomas B. Faust; Pavel M. Usov; Deanna M. D'Alessandro; Cameron J. Kepert","Highly unusual interpenetration isomers of electroactive nickel bis(dithiolene) coordination frameworks","Chem.Commun.","2014","50","","12772","","10.1039/C4cc05438E","","","0.71085","Synchrotron","","0.1734","0.1182","","","0.2825","0.2922","","","","","","2.695","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115787","15.35","0.002","22.346","0.002","15.4658","0.0017","90","","107.269","0.007","90","","5065.8","1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Zn(Ni(pedt)2)2(dmf)].2dmf","","","- C40 H48 N8 Ni2 O4 S8 Zn -","- C40 H48 N8 Ni2 O4 S8 Zn -","- C160 H192 N32 Ni8 O16 S32 Zn4 -","4","0.5","","Thomas B. Faust; Pavel M. Usov; Deanna M. D'Alessandro; Cameron J. Kepert","Highly unusual interpenetration isomers of electroactive nickel bis(dithiolene) coordination frameworks","Chem.Commun.","2014","50","","12772","","10.1039/C4cc05438E","","","0.71073","MoKα","","0.0533","0.0355","","","0.0884","0.1034","","","","","","1.134","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115788","31.23","0.02","10.037","0.005","18.142","0.012","90","","116.85","0.02","90","","5074","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H29 F15 Ga N4 Na P2 -","- C15 H29 F15 Ga N4 Na P2 -","- C120 H232 F120 Ga8 N32 Na8 P16 -","8","1","","Rajiv Bhalla; William Levason; Sajinder K. Luthra; Graeme McRobbie; Gillian Reid; George Sanderson; Wenjian Zhang","[GaF3(BzMe2-tacn)] - a neutral 'metalloligand' towards alkali metal and ammonium cations in water","Chem.Commun.","2014","50","","12673","","10.1039/C4cc05603E","","","0.71073","MoKα","","0.2477","0.1185","","","0.2736","0.3601","","","","","","0.967","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7115789","10.967","0.002","15.793","0.003","22.313","0.003","90","","90.057","0.006","90","","3864.7","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 B F7 Ga N3 Na -","- C15 H25 B F7 Ga N3 Na -","- C120 H200 B8 F56 Ga8 N24 Na8 -","8","2","","Rajiv Bhalla; William Levason; Sajinder K. Luthra; Graeme McRobbie; Gillian Reid; George Sanderson; Wenjian Zhang","[GaF3(BzMe2-tacn)] - a neutral 'metalloligand' towards alkali metal and ammonium cations in water","Chem.Commun.","2014","50","","12673","","10.1039/C4cc05603E","","","0.71073","MoKα","","0.0848","0.0524","","","0.0898","0.0983","","","","","","1.243","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7115790","9.5708","0.001","10.2233","0.001","13.1728","0.001","95.498","0.007","91.765","0.007","112.97","0.008","1178","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H62 F18 Ga2 K2 N6 O6 P2 -","- C30 H50 F18 Ga2 K2 N6 O6 P2 -","- C30 H50 F18 Ga2 K2 N6 O6 P2 -","1","0.5","","Rajiv Bhalla; William Levason; Sajinder K. Luthra; Graeme McRobbie; Gillian Reid; George Sanderson; Wenjian Zhang","[GaF3(BzMe2-tacn)] - a neutral 'metalloligand' towards alkali metal and ammonium cations in water","Chem.Commun.","2014","50","","12673","","10.1039/C4cc05603E","","","0.71073","MoKα","","0.0848","0.0554","","","0.1083","0.1216","","","","","","1.041","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115791","5.7235","0.0012","7.5497","0.0011","15.671","0.002","90","","97.432","0.015","90","","671.47","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O2 S2 -","- C14 H14 O2 S2 -","- C28 H28 O4 S4 -","2","0.5","","Jose A. Souto; Willian Lewis; Robert A. Stockman","Isolation of stable non cyclic 1,2-disulfoxides. Revisiting the thermolysis of S-aryl sulfinimines","Chem.Commun.","2014","50","","12630","","10.1039/C4cc05751A","","x-ray","1.5418","CuKα","K-L~2,3~","0.0617","0.0517","","","0.1339","0.1443","","","","","","1.087","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115792","7.5624","0.0011","8.0233","0.0011","8.1209","0.0009","84.776","0.01","69.822","0.012","61.946","0.015","406.65","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O2 S2 -","- C18 H22 O2 S2 -","- C18 H22 O2 S2 -","1","0.5","","Jose A. Souto; Willian Lewis; Robert A. Stockman","Isolation of stable non cyclic 1,2-disulfoxides. Revisiting the thermolysis of S-aryl sulfinimines","Chem.Commun.","2014","50","","12630","","10.1039/C4cc05751A","","x-ray","1.5418","CuKα","K-L~2,3~","0.0584","0.0568","","","0.1733","0.1748","","","","","","1.148","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115793","7.5701","0.0007","5.7018","0.0006","14.6979","0.0013","90","","94.682","0.008","90","","632.29","0.11","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H14 S2 -","- C14 H14 S2 -","- C28 H28 S4 -","2","1","","Jose A. Souto; Willian Lewis; Robert A. Stockman","Isolation of stable non cyclic 1,2-disulfoxides. Revisiting the thermolysis of S-aryl sulfinimines","Chem.Commun.","2014","50","","12630","","10.1039/C4cc05751A","","x-ray","1.5418","CuKα","K-L~2,3~","0.0329","0.0307","","","0.0787","0.0819","","","","","","1.053","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115794","11.6772","0.0005","12.5736","0.0004","17.0286","0.0006","79.442","0.003","75.102","0.003","77.292","0.003","2335.61","0.15","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H48 B F20 P Si -","- C45 H48 B F20 P Si -","- C90 H96 B2 F40 P2 Si2 -","2","1","","Thomas J. Herrington; Bryan J. Ward; Laurence R. Doyle; Joe McDermott; Andrew J. P. White; Patricia A. Hunt; Andrew E. Ashley","Bypassing a highly unstable frustrated Lewis pair: dihydrogen cleavage by a thermally robust silylium-phosphine adduct","Chem.Commun.","2014","50","","12753","","10.1039/C4cc05905K","","","1.54184","CuKα","","0.0418","0.0354","","","0.0896","0.0948","","","","","","1.065","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115795","10.9934","0.0011","13.7404","0.0018","17.238","0.0016","91.347","0.01","101.124","0.008","105.539","0.01","2453.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Sc3N@C80-DPNI","Sc3N@C80-DPNI","","- C189 H20 N6 S6 Sc6 -","- C189 H20 N6 S6 Sc6 -","- C189 H20 N6 S6 Sc6 -","1","0.5","","Bin Liu; Hailin Cong; Xiaofang Li; Bing Yu; Lipiao Bao; Wenting Cai; Yunpeng Xie; Xing Lu","Highly regioselective 1,3-dipolar cycloaddition of diphenylnitrilimine to Sc3N@Ih-C80 affording a very stable, unprecedented pyrazole-ring fused derivative of endohedral metallofullerenes","Chem.Commun.","2014","50","","12710","","10.1039/C4cc06134A","","","1.54178","CuKα","","0.2286","0.1472","","","0.3608","0.4458","","","","","","1.165","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115796","10.688","0.004","14.471","0.008","17.002","0.006","104.62","0.05","103.75","0.04","103.5","0.04","2348","2","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H40 O3 Si3 -","- C52 H40 O3 Si3 -","- C104 H80 O6 Si6 -","2","1","","Yuanjing Cai; Kerim Samedov; Haley Albright; Brian S. Dolinar; Ilia A. Guzei; Rongrong Hu; Chaocan Zhang; Ben Zhong Tang; Robert West","High solid-state fluorescence in ring-shaped AEE-active tetraphenylsilole derivatives","Chem.Commun.","2014","50","","12714","","10.1039/C4cc06203E","","x-ray","1.54178","CuKα","K-L~3~","0.0488","0.0385","","","0.0984","0.1044","","","","","","1.04","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115797","19.956","0.008","28.804","0.009","10.023","0.003","90","","102.117","0.006","90","","5633","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 O4 Si4 -","- C60 H52 O4 Si4 -","- C240 H208 O16 Si16 -","4","0.5","","Yuanjing Cai; Kerim Samedov; Haley Albright; Brian S. Dolinar; Ilia A. Guzei; Rongrong Hu; Chaocan Zhang; Ben Zhong Tang; Robert West","High solid-state fluorescence in ring-shaped AEE-active tetraphenylsilole derivatives","Chem.Commun.","2014","50","","12714","","10.1039/C4cc06203E","","","0.71073","MoKα","","0.0416","0.0359","","","0.1007","0.1056","","","","","","1.038","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115798","11.226","0.003","12.704","0.003","13.186","0.003","115.699","0.004","103.433","0.005","101.434","0.005","1549.3","0.7","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H60 O4 Si4 -","- C80 H60 O4 Si4 -","- C80 H60 O4 Si4 -","1","0.5","","Yuanjing Cai; Kerim Samedov; Haley Albright; Brian S. Dolinar; Ilia A. Guzei; Rongrong Hu; Chaocan Zhang; Ben Zhong Tang; Robert West","High solid-state fluorescence in ring-shaped AEE-active tetraphenylsilole derivatives","Chem.Commun.","2014","50","","12714","","10.1039/C4cc06203E","","x-ray","0.71073","MoKα","","0.0685","0.0442","","","0.0952","0.1046","","","","","","1.019","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115799","12.373","0.007","12.616","0.006","18.679","0.007","75.714","0.015","73.48","0.02","66.738","0.015","2538","2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H52 O4 Si4 -","- C60 H52 O4 Si4 -","- C120 H104 O8 Si8 -","2","1","","Yuanjing Cai; Kerim Samedov; Haley Albright; Brian S. Dolinar; Ilia A. Guzei; Rongrong Hu; Chaocan Zhang; Ben Zhong Tang; Robert West","High solid-state fluorescence in ring-shaped AEE-active tetraphenylsilole derivatives","Chem.Commun.","2014","50","","12714","","10.1039/C4cc06203E","","x-ray","0.71073","MoKα","K-L~3~","0.0792","0.049","","","0.1076","0.1197","","","","","","1.016","","","","has coordinates,has disorder","180271","2020-10-21","18:00:00",""
"7115800","7.86","0.003","5.7022","0.0019","22.413","0.008","90","","103.09","0.017","90","","978.4","0.6","100","2","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 -","- C28 H22 -","- C56 H44 -","2","0.5","","Yuanjing Cai; Kerim Samedov; Haley Albright; Brian S. Dolinar; Ilia A. Guzei; Rongrong Hu; Chaocan Zhang; Ben Zhong Tang; Robert West","High solid-state fluorescence in ring-shaped AEE-active tetraphenylsilole derivatives","Chem.Commun.","2014","50","","12714","","10.1039/C4cc06203E","","x-ray","0.71073","MoKα","K-L~3~","0.0499","0.0453","","","0.1309","0.1348","","","","","","1.06","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115801","17.9352","0.0005","15.2259","0.0004","19.6389","0.0005","90","","102.132","0.002","90","","5243.2","0.2","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H68 F4 N2 P4 Pd2 S2 -","- C49 H68 F4 N2 P4 Pd2 S2 -","- C196 H272 F16 N8 P16 Pd8 S8 -","4","1","","Chandra Mouli Palit; Daniel J. Graham; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov","Reduction of CO2 to free CO by a Pd(I)-Pd(I) dimer","Chem.Commun.","2014","50","","12840","","10.1039/C4cc02438A","","","0.71073","MoKα","","0.0764","0.0402","","0.084","0.0756","0.084","","","","","","0.9869","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115802","14.4346","0.0005","15.1821","0.0006","17.0101","0.0007","90","","90","","90","","3727.7","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5,12-bis((triisopropylsilyl)ethynyl)tetracene","","- C40 H52 Si2 -","- C40 H52 Si2 -","- C160 H208 Si8 -","4","1","","Xiaomin Xu; Bowen Shan; Sergii Kalytchuk; Minghua Xie; Shuaijun Yang; Danqing Liu; Stephen V. Kershaw; Qian Miao","Synthesis, solution-processed thin film transistors and solid solutions of silylethynylated diazatetracenes","Chem.Commun.","2014","50","","12828","","10.1039/C4cc04627G","","","0.71073","MoKα","","0.075","0.058","","","0.1538","0.1718","","","","","","1.049","","","","has coordinates","213925","2020-10-21","18:00:00",""
"7115803","35.551","0.004","15.1706","0.0016","14.9907","0.0016","90","","104.265","0.002","90","","7835.6","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,2,3,4-tetrachloro-6, 11-bis((triisopropylsilyl)ethynyl)-5,12-diazatetracene","","- C38 H46 Cl4 N2 Si2 -","- C38 H46 Cl4 N2 Si2 -","- C304 H368 Cl32 N16 Si16 -","8","1","","Xiaomin Xu; Bowen Shan; Sergii Kalytchuk; Minghua Xie; Shuaijun Yang; Danqing Liu; Stephen V. Kershaw; Qian Miao","Synthesis, solution-processed thin film transistors and solid solutions of silylethynylated diazatetracenes","Chem.Commun.","2014","50","","12828","","10.1039/C4cc04627G","","","0.71073","MoKα","","0.1967","0.0806","","","0.1846","0.2584","","","","","","1.049","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115804","14.4307","0.0018","15.1331","0.0018","16.975","0.002","90","","90","","90","","3707","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5,12-bis((triisopropylsilyl)ethynyl)tetracene 6, 11-bis((triisopropylsilyl)ethynyl)-5,12-diazatetracene","","- C78 H102 N2 Si4 -","- C78 H102 N2 Si4 -","- C156 H204 N4 Si8 -","2","0.5","","Xiaomin Xu; Bowen Shan; Sergii Kalytchuk; Minghua Xie; Shuaijun Yang; Danqing Liu; Stephen V. Kershaw; Qian Miao","Synthesis, solution-processed thin film transistors and solid solutions of silylethynylated diazatetracenes","Chem.Commun.","2014","50","","12828","","10.1039/C4cc04627G","","","0.71073","MoKα","","0.2493","0.1491","","","0.3014","0.3483","","","","","","1.26","","","","has coordinates","213925","2020-10-21","18:00:00",""
"7115805","35.4482","0.0019","15.1828","0.0008","14.9575","0.0008","90","","103.908","0.001","90","","7814.2","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,12-bis((triisopropylsilyl)ethynyl)tetracene 1,2,3,4-tetrachloro-6, 11-bis((triisopropylsilyl)ethynyl)-5,12-diazatetracene","","- C38 H46 Cl4 N2 Si2 -","- C38 H46 Cl4 N2 Si2 -","- C304 H368 Cl32 N16 Si16 -","8","1","","Xiaomin Xu; Bowen Shan; Sergii Kalytchuk; Minghua Xie; Shuaijun Yang; Danqing Liu; Stephen V. Kershaw; Qian Miao","Synthesis, solution-processed thin film transistors and solid solutions of silylethynylated diazatetracenes","Chem.Commun.","2014","50","","12828","","10.1039/C4cc04627G","","","0.71073","MoKα","","0.1275","0.0751","","","0.2067","0.2537","","","","","","1.078","","","","has coordinates","213925","2020-10-21","18:00:00",""
"7115806","35.3907","0.0011","15.1394","0.0004","14.9478","0.0004","90","","104.143","0.001","90","","7766.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,12-bis((triisopropylsilyl)ethynyl)tetracene 1,2,3,4-tetrachloro-6, 11-bis((triisopropylsilyl)ethynyl)-5,12-diazatetracene","","- C38 H46 Cl4 N2 Si2 -","- C38 H46 Cl4 N2 Si2 -","- C304 H368 Cl32 N16 Si16 -","8","1","","Xiaomin Xu; Bowen Shan; Sergii Kalytchuk; Minghua Xie; Shuaijun Yang; Danqing Liu; Stephen V. Kershaw; Qian Miao","Synthesis, solution-processed thin film transistors and solid solutions of silylethynylated diazatetracenes","Chem.Commun.","2014","50","","12828","","10.1039/C4cc04627G","","","0.71073","MoKα","","0.096","0.0603","","","0.167","0.2066","","","","","","1.061","","","","has coordinates","213925","2020-10-21","18:00:00",""
"7115807","12.0299","0.0013","10.6135","0.001","19.818","0.0017","90","","95.26","0.009","90","","2519.7","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H78 K2 Mg2 Si6 -","- C36 H78 K2 Mg2 Si6 -","- C72 H156 K4 Mg4 Si12 -","2","0.5","","Sharon E. Baillie; Tobias D. Bluemke; William Clegg; Alan R. Kennedy; Jan Klett; Luca Russo; Marco de Tullio; Eva Hevia","Potassium-alkyl magnesiates: synthesis, structures and Mg-H exchange applications of aromatic and heterocyclic substrates","Chem.Commun.","2014","50","","12859","","10.1039/C4cc05305B","","","0.71073","MoKα","","0.0638","0.0329","","","0.0596","0.0637","","","","","","0.853","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115808","12.2327","0.0004","17.0823","0.0005","25.0444","0.0009","90","","90","","90","","5233.3","0.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H90 K2 Mg N6 Si4 -","- C34 H90 K2 Mg N6 Si4 -","- C136 H360 K8 Mg4 N24 Si16 -","4","1","","Sharon E. Baillie; Tobias D. Bluemke; William Clegg; Alan R. Kennedy; Jan Klett; Luca Russo; Marco de Tullio; Eva Hevia","Potassium-alkyl magnesiates: synthesis, structures and Mg-H exchange applications of aromatic and heterocyclic substrates","Chem.Commun.","2014","50","","12859","","10.1039/C4cc05305B","","","0.71073","MoKα","","0.0796","0.0418","","","0.0548","0.0596","","","","","","0.806","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115809","11.0105","0.0004","14.4843","0.0005","14.9162","0.0005","85.542","0.003","75.58","0.003","82.035","0.003","2279.34","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H76 K2 Mg N4 Si4 -","- C28 H76 K2 Mg N4 Si4 -","- C56 H152 K4 Mg2 N8 Si8 -","2","1","","Sharon E. Baillie; Tobias D. Bluemke; William Clegg; Alan R. Kennedy; Jan Klett; Luca Russo; Marco de Tullio; Eva Hevia","Potassium-alkyl magnesiates: synthesis, structures and Mg-H exchange applications of aromatic and heterocyclic substrates","Chem.Commun.","2014","50","","12859","","10.1039/C4cc05305B","","","0.71073","MoKα","","0.0541","0.0344","","","0.0813","0.0848","","","","","","0.947","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115810","11.2895","0.0006","10.3789","0.0005","13.6515","0.0008","90","","112.765","0.006","90","","1474.97","0.15","294.1","0.2","294.1","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F N O3 -","- C18 H16 F N O3 -","- C72 H64 F4 N4 O12 -","4","1","","Jia-Jia Cao; Xiang Wang; Shun-Yi Wang; Shun-Jun Ji","Mn(III)-mediated reactions of 2-isocyanobiaryl with 1,3-dicarbonyl compounds: efficient synthesis of 6-alkylated and 6-monofluoro-alkylated phenanthridines","Chem.Commun.","2014","50","","12892","","10.1039/C4cc05324A","","","0.71073","MoKα","","0.0736","0.0608","","","0.1787","0.1904","","","","","","1.148","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115811","11.0845","0.0003","12.9326","0.0003","15.6251","0.0004","91.858","0.001","97.458","0.001","94.863","0.001","2210.8","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H33 Br O2 -","- C26 H33 Br O2 -","- C104 H132 Br4 O8 -","4","2","","Irem Yalavac; Sarah E. Lyons; Michael R. Webb; David J. Procter","SmI2-H2O-mediated 5-exo/6-exo lactone radical cyclisation cascades","Chem.Commun.","2014","50","","12863","","10.1039/C4cc05404K","","","1.54178","CuKα","","0.0368","0.0329","","","0.0829","0.0855","","","","","","1.046","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115812","38.6451","0.0016","18.5006","0.0007","8.3788","0.0003","90","","90","","90","","5990.5","0.4","290","2","290","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H15 F3 O -","- C18 H15 F3 O -","- C288 H240 F48 O16 -","16","1","","Jun Xu; Yun-Long Wang; Tian-Jun Gong; Bin Xiao; Yao Fu","Copper-catalyzed endo-type trifluoromethylarylation of alkynes","Chem.Commun.","2014","50","","12915","","10.1039/C4cc05692B","","","1.54184","CuKα","","0.0555","0.0523","","","0.1488","0.1535","","","","","","1.055","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115813","9.252","0.0003","10.1218","0.0003","13.0422","0.0003","90","","90","","90","","1221.36","0.06","120","","120","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","1-[2-(1H-imidazol-4-yl)ethyl]-3-(4-methylphenyl)urea","","- C13 H16 N4 O -","- C13 H16 N4 O -","- C52 H64 N16 O4 -","4","1","","Samuel J. James; Andrea Perrin; Christopher D. Jones; Dmitry S. Yufit; Jonathan W. Steed","Highly interlocked anion-bridged supramolecular networks from interrupted imidazole-urea gels","Chem.Commun.","2014","50","","12851","","10.1039/C4cc05789A","","","0.71073","MoKα","","0.0506","0.043","","","0.0957","0.1","","","","","","1.037","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115814","19.9812","0.0006","19.9812","0.0006","6.9508","0.0004","90","","90","","90","","2775.1","0.2","120","","120","","","","","","","","","6","P 4/n","-P 4a","85","","","","- C52 H64 Cl2 Cu N16 O4 -","- C52 H64 Cl2 Cu N16 O4 -","- C104 H128 Cl4 Cu2 N32 O8 -","2","","","Samuel J. James; Andrea Perrin; Christopher D. Jones; Dmitry S. Yufit; Jonathan W. Steed","Highly interlocked anion-bridged supramolecular networks from interrupted imidazole-urea gels","Chem.Commun.","2014","50","","12851","","10.1039/C4cc05789A","","","0.71073","MoKα","","0.0536","0.0387","","","0.0825","0.0877","","","","","","1.042","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115815","13.1","0.0007","13.3909","0.0007","13.441","0.0006","75.123","0.004","77.751","0.004","74.712","0.004","2171.6","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H104 Cu N26 O14 -","- C80 H104 Cu N26 O14 -","- C80 H104 Cu N26 O14 -","1","0.5","","Samuel J. James; Andrea Perrin; Christopher D. Jones; Dmitry S. Yufit; Jonathan W. Steed","Highly interlocked anion-bridged supramolecular networks from interrupted imidazole-urea gels","Chem.Commun.","2014","50","","12851","","10.1039/C4cc05789A","","","0.71073","MoKα","","0.0729","0.0566","","","0.1452","0.1563","","","","","","1.062","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115816","7.2892","0.0004","10.5717","0.0005","13.9822","0.0007","98.495","0.004","90.191","0.004","91.103","0.004","1065.42","0.09","100","","100","2","","","","","","","synthesis","8","P -1","-P 1","2","","","","- C18 H22 Au Cl N4 O2 P2 S -","- C18 H22 Au Cl N4 O2 P2 S -","- C36 H44 Au2 Cl2 N8 O4 P4 S2 -","2","1","","Maria J. Rodriguez-Alvarez; Cristian Vidal; Josefina Diez; Joaquin Garcia-Alvarez","Introducing deep eutectic solvents as biorenewable media for Au(I)-catalysed cycloisomerisation of upsilon-alkynoic acids: an unprecedented catalytic system","Chem.Commun.","2014","50","","12927","","10.1039/C4cc05904B","","","1.5418","CuKα","","0.1018","0.0823","","","0.2315","0.2952","","","","","","1.321","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115817","8.2448","0.0013","13.187","0.002","19.061","0.003","100.053","0.014","95.703","0.013","95.546","0.012","2016.7","0.6","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 B F2 N5 S2 -","- C42 H26 B F2 N5 S2 -","- C84 H52 B2 F4 N10 S4 -","2","1","","Xiaolin Zhu; Rui Liu; Yuhao Li; Hai Huang; Qiang Wang; Danfeng Wang; Xuan Zhu; Shishen Liu; Hongjun Zhu","An AIE-active boron-difluoride complex: multi-stimuli-responsive fluorescence and application in data security protection","Chem.Commun.","2014","50","","12951","","10.1039/C4cc05913A","","","","","","0.169","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7115818","10.547","0.005","11.953","0.005","13.565","0.005","65.131","0.005","88.615","0.005","67.984","0.005","1420.2","1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H74 Cr2 N4 O2 -","- C66 H74 Cr2 N4 O2 -","- C66 H74 Cr2 N4 O2 -","1","0.5","","Awal Noor; Sadaf Qayyum; Tobias Bauer; Stefan Schwarz; Birgit Weber; Rhett Kempe","CO2 and SO2 activation by a Cr-Cr quintuple bond","Chem.Commun.","2014","50","","13127","","10.1039/C4cc05071A","","","0.71069","MoKα","","0.1547","0.0617","","","0.1039","0.1262","","","","","","0.722","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115819","10.829","0.0003","19.623","0.0005","23.199","0.0006","90","","93.411","0.002","90","","4921","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H58 Cr2 N4 O4 S2 -","- C50 H58 Cr2 N4 O4 S2 -","- C200 H232 Cr8 N16 O16 S8 -","4","1","","Awal Noor; Sadaf Qayyum; Tobias Bauer; Stefan Schwarz; Birgit Weber; Rhett Kempe","CO2 and SO2 activation by a Cr-Cr quintuple bond","Chem.Commun.","2014","50","","13127","","10.1039/C4cc05071A","","","0.71069","MoKα","","0.0427","0.0324","","","0.0861","0.0892","","","","","","1.034","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115820","13.937","0.0005","15.257","0.0006","17.641","0.0007","87.921","0.003","70.039","0.003","62.83","0.003","3104.5","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H132 Cr4 N8 O4 -","- C114 H132 Cr4 N8 O4 -","- C114 H132 Cr4 N8 O4 -","1","0.5","","Awal Noor; Sadaf Qayyum; Tobias Bauer; Stefan Schwarz; Birgit Weber; Rhett Kempe","CO2 and SO2 activation by a Cr-Cr quintuple bond","Chem.Commun.","2014","50","","13127","","10.1039/C4cc05071A","","","0.71069","MoKα","","0.1078","0.0562","","","0.1121","0.1258","","","","","","0.84","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115821","9.4903","0.0008","10.9524","0.001","13.6734","0.0012","70.137","0.005","70.544","0.005","77.237","0.004","1251","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 N4 O -","- C29 H28 N4 O -","- C58 H56 N8 O2 -","2","1","","Pinaki Saha; Amit Saha Roy; Thomas Weyhermuller; Prasanta Ghosh","Metal ion promoted tautomerization and C-N bond cleavage: conversion of catechol to a p-benzoquinone derivative","Chem.Commun.","2014","50","","13073","","10.1039/C4cc05286B","","","0.71073","MoKα","","0.0666","0.0482","","","0.143","0.1584","","","","","","1.071","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115822","10.792","0.002","11.159","0.002","12.17","0.002","100.53","0.02","90.62","0.02","104.71","0.02","1391.2","0.5","100","2","100","2","","","","","","","acetonitrile, ethanol","6","P -1","-P 1","2","","","","- C29 H31 Cl2 N3 O2 Pd -","- C29 H31 Cl2 N3 O2 Pd -","- C58 H62 Cl4 N6 O4 Pd2 -","2","1","","Pinaki Saha; Amit Saha Roy; Thomas Weyhermuller; Prasanta Ghosh","Metal ion promoted tautomerization and C-N bond cleavage: conversion of catechol to a p-benzoquinone derivative","Chem.Commun.","2014","50","","13073","","10.1039/C4cc05286B","","","0.71073","MoKα","","0.0547","0.0494","","","0.1257","0.1309","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7115823","15.9397","0.0005","9.5342","0.0003","19.3761","0.0006","90","","113.72","0.001","90","","2695.87","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl3 N2 P Rh -","- C27 H27 Cl3 N2 P Rh -","- C108 H108 Cl12 N8 P4 Rh4 -","4","1","","Pinaki Saha; Amit Saha Roy; Thomas Weyhermuller; Prasanta Ghosh","Metal ion promoted tautomerization and C-N bond cleavage: conversion of catechol to a p-benzoquinone derivative","Chem.Commun.","2014","50","","13073","","10.1039/C4cc05286B","","","0.71073","MoKα","","0.0484","0.0399","","","0.1263","0.1331","","","","","","1.035","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115824","20.212","0.006","7.275","0.002","26.666","0.008","90","","90.606","0.006","90","","3921","2","193","2","193","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","HOF-4","","- C61 H48 N20 -","- C61 H48 N20 -","- C122 H96 N40 -","2","0.5","","Peng Li; Yabing He; Hadi D. Arman; Rajamani Krishna; Hailong Wang; Linhong Weng; Banglin Chen","A microporous six-fold interpenetrated hydrogen-bonded organic framework for highly selective separation of C2H4/C2H6","Chem.Commun.","2014","50","","13081","","10.1039/C4cc05506C","","","0.71073","MoKα","","0.1442","0.0976","","","0.1992","0.2139","","","","","","1.133","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115825","12.008","0.003","17.075","0.004","19.383","0.004","107.067","0.002","98.65","0.002","100.975","0.002","3638.5","1.5","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H99 B2 Mn2 N9 O4 -","- C82 H99 B2 Mn2 N9 O4 -","- C164 H198 B4 Mn4 N18 O8 -","2","1","","Harutaka Nakamori; Takahiro Matsumoto; Takeshi Yatabe; Ki-Seok Yoon; Hidetaka Nakai; Seiji Ogo","Synthesis and crystal structure of a dinuclear, monomeric MnIIp-semiquinonato complex","Chem.Commun.","2014","50","","13059","","10.1039/C4cc06055E","","","0.71075","MoKα","","0.1147","0.0647","","","0.1187","0.1483","","","","","","1.06","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115826","11.8553","0.0008","22.2136","0.0015","17.9969","0.0012","90","","93.097","0.002","90","","4732.5","0.6","291","2","291","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 B9 Cl O P Rh2 S2 -","- C37 H51 B9 Cl O P Rh2 S2 -","- C148 H204 B36 Cl4 O4 P4 Rh8 S8 -","4","1","","Xiaolei Zhang; Zhiwen Zhou; Hong Yan","Metal-metal redox synergy in selective B-H activation of ortho-carborane-9,12-dithiolate","Chem.Commun.","2014","50","","13077","","10.1039/C4cc06171C","","","0.71073","MoKα","","0.0642","0.06","","","0.1473","0.1482","","","","","","1.046","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115827","11.7502","0.0018","12.94","0.002","26.299","0.004","90","","90","","90","","3998.7","1.1","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H25 B10 F0 P0 Rh S2 -","- C12 H25 B10 Rh S2 -","- C96 H200 B80 Rh8 S16 -","8","1","","Xiaolei Zhang; Zhiwen Zhou; Hong Yan","Metal-metal redox synergy in selective B-H activation of ortho-carborane-9,12-dithiolate","Chem.Commun.","2014","50","","13077","","10.1039/C4cc06171C","","","0.71073","MoKα","","0.0401","0.0363","","","0.1039","0.1077","","","","","","1.045","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115828","25.34","0.003","20.953","0.002","22.865","0.002","90","","93.648","0.003","90","","12116","2","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H55 B10 F6 P3 Rh2 S2 -","- C48 H55 B10 F6 P3 Rh2 S2 -","- C384 H440 B80 F48 P24 Rh16 S16 -","8","2","","Xiaolei Zhang; Zhiwen Zhou; Hong Yan","Metal-metal redox synergy in selective B-H activation of ortho-carborane-9,12-dithiolate","Chem.Commun.","2014","50","","13077","","10.1039/C4cc06171C","","","0.71073","MoKα","","0.059","0.0521","","","0.1291","0.1305","","","","","","1.042","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115829","10.1173","0.0015","18.265","0.003","22.185","0.003","90","","100.007","0.002","90","","4037.3","1","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H42 B9 Cl4 P Rh2 S2 -","- C31 H42 B9 Cl4 P Rh2 S2 -","- C124 H168 B36 Cl16 P4 Rh8 S8 -","4","1","","Xiaolei Zhang; Zhiwen Zhou; Hong Yan","Metal-metal redox synergy in selective B-H activation of ortho-carborane-9,12-dithiolate","Chem.Commun.","2014","50","","13077","","10.1039/C4cc06171C","","","0.71073","MoKα","","0.0383","0.0355","","","0.0956","0.0966","","","","","","1.037","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115830","10.6217","0.0015","22.947","0.003","15.445","0.002","90","","101.289","0.002","90","","3691.7","0.9","296","2","296","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C31 H41 B9 F0 N2 O P Rh2 S2 -","- C32 H42 B9 O2 P Rh2 S2 -","- C128 H168 B36 O8 P4 Rh8 S8 -","4","1","","Xiaolei Zhang; Zhiwen Zhou; Hong Yan","Metal-metal redox synergy in selective B-H activation of ortho-carborane-9,12-dithiolate","Chem.Commun.","2014","50","","13077","","10.1039/C4cc06171C","","","0.71073","MoKα","","0.0838","0.0711","","","0.1768","0.1842","","","","","","0.967","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115831","10.4232","0.0013","22.0424","0.0019","25.4131","0.0017","90","","91.218","0.003","90","","5837.4","1","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H55 B9 P2 Rh2 S2 -","- C48 H55 B9 P2 Rh2 S2 -","- C192 H220 B36 P8 Rh8 S8 -","4","1","","Xiaolei Zhang; Zhiwen Zhou; Hong Yan","Metal-metal redox synergy in selective B-H activation of ortho-carborane-9,12-dithiolate","Chem.Commun.","2014","50","","13077","","10.1039/C4cc06171C","","","0.71073","MoKα","","0.0592","0.0513","","","0.1359","0.1367","","","","","","1.062","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115832","10.4299","0.0018","15.6029","0.0016","22.3267","0.0017","90","","101.465","0.002","90","","3560.9","0.8","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 B9 O2 P Rh2 S2 -","- C31 H40 B9 O2 P Rh2 S2 -","- C124 H160 B36 O8 P4 Rh8 S8 -","4","1","","Xiaolei Zhang; Zhiwen Zhou; Hong Yan","Metal-metal redox synergy in selective B-H activation of ortho-carborane-9,12-dithiolate","Chem.Commun.","2014","50","","13077","","10.1039/C4cc06171C","","","0.71073","MoKα","","0.0559","0.0537","","","0.1343","0.1348","","","","","","1.07","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115833","10.5802","0.0014","11.9277","0.0016","40.511","0.005","90","","92.389","0.002","90","","5107.9","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H56 B9 Cl3 P2 Rh2 S2 -","- C49 H56 B9 Cl3 P2 Rh2 S2 -","- C196 H224 B36 Cl12 P8 Rh8 S8 -","4","1","","Xiaolei Zhang; Zhiwen Zhou; Hong Yan","Metal-metal redox synergy in selective B-H activation of ortho-carborane-9,12-dithiolate","Chem.Commun.","2014","50","","13077","","10.1039/C4cc06171C","","","0.71073","MoKα","","0.0607","0.0533","","","0.1245","0.1263","","","","","","1.085","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115834","10.4072","0.0016","15.6144","0.0019","22.4334","0.0013","90","","101.504","0.003","90","","3572.2","0.7","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 B9 O P Rh2 S2 -","- C31 H40 B9 O P Rh2 S2 -","- C124 H160 B36 O4 P4 Rh8 S8 -","4","1","","Xiaolei Zhang; Zhiwen Zhou; Hong Yan","Metal-metal redox synergy in selective B-H activation of ortho-carborane-9,12-dithiolate","Chem.Commun.","2014","50","","13077","","10.1039/C4cc06171C","","","0.71073","MoKα","","0.0592","0.0574","","","0.1446","0.1449","","","","","","1.066","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115835","10.3532","0.0009","15.6988","0.0015","22.68","0.002","90","","100.705","0.002","90","","3622.1","0.6","291","2","291","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 B9 Cl O P Rh2 S2 -","- C31 H39 B9 Cl O P Rh2 S2 -","- C124 H156 B36 Cl4 O4 P4 Rh8 S8 -","4","1","","Xiaolei Zhang; Zhiwen Zhou; Hong Yan","Metal-metal redox synergy in selective B-H activation of ortho-carborane-9,12-dithiolate","Chem.Commun.","2014","50","","13077","","10.1039/C4cc06171C","","","0.71073","MoKα","","0.0673","0.0604","","","0.1406","0.1416","","","","","","1.002","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115836","16.5395","0.0005","17.4417","0.0006","27.5376","0.0009","78.182","0.003","76.559","0.003","88.334","0.002","7561.2","0.4","99.5","","99.5","","","","","","","","","6","P -1","-P 1","2","","","","- C106 H231 Mo12 N9 O55 V6 -","- C106 H231 Mo12 N9 O55 V6 -","- C212 H462 Mo24 N18 O110 V12 -","2","1","","Aruuhan Bayaguud; Jin Zhang; Rao Naumaan Nasim Khan; Jian Hao; Yongge Wei","A redox active triad nanorod constructed from covalently interlinked organo-hexametalates","Chem.Commun.","2014","50","","13150","","10.1039/C4cc06297C","","","0.71073","MoKα","","0.0957","0.0629","","","0.1318","0.1503","","","","","","0.939","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115837","10.6605","0.0003","10.8266","0.0003","11.4767","0.0003","98.981","0.001","104.685","0.001","118.91","0.001","1059.18","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H76 Cr N2 Si2 -","- C42 H76 Cr N2 Si2 -","- C42 H76 Cr N2 Si2 -","1","0.5","","Irene C. Cai; Michael I. Lipschutz; T. Don Tilley","A bis(amido) ligand set that supports two-coordinate chromium in the +1, +2, and +3 oxidation states","Chem.Commun.","2014","50","","13062","","10.1039/C4cc06615D","","","0.71073","MoKα","","0.0675","0.0405","","","0.0852","0.095","","","","","","1.021","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115838","13.4838","0.0008","15.8748","0.0009","18.4544","0.001","67.15","0.003","89.637","0.003","69.398","0.003","3368.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H77 B Cr F21 N2 Si2 -","- C69 H77 B Cr F21 N2 Si2 -","- C138 H154 B2 Cr2 F42 N4 Si4 -","2","1","","Irene C. Cai; Michael I. Lipschutz; T. Don Tilley","A bis(amido) ligand set that supports two-coordinate chromium in the +1, +2, and +3 oxidation states","Chem.Commun.","2014","50","","13062","","10.1039/C4cc06615D","","","0.71073","MoKα","","0.06","0.0494","","","0.1204","0.1282","","","","","","1.032","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115839","15.8187","0.0007","17.0756","0.0008","25.0015","0.0013","90","","90","","90","","6753.3","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H116 Cr K N2 O8 Si2 -","- C58 H116 Cr K N2 O8 Si2 -","- C232 H464 Cr4 K4 N8 O32 Si8 -","4","1","","Irene C. Cai; Michael I. Lipschutz; T. Don Tilley","A bis(amido) ligand set that supports two-coordinate chromium in the +1, +2, and +3 oxidation states","Chem.Commun.","2014","50","","13062","","10.1039/C4cc06615D","","","0.71073","MoKα","","0.0961","0.0729","","","0.1814","0.1995","","","","","","1.037","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115840","11.0285","0.0005","23.087","0.001","17.0353","0.0007","90","","90.515","0.003","90","","4337.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H76 Cr I N2 Si2 -","- C42 H76 Cr I N2 Si2 -","- C168 H304 Cr4 I4 N8 Si8 -","4","1","","Irene C. Cai; Michael I. Lipschutz; T. Don Tilley","A bis(amido) ligand set that supports two-coordinate chromium in the +1, +2, and +3 oxidation states","Chem.Commun.","2014","50","","13062","","10.1039/C4cc06615D","","","0.71073","MoKα","","0.0854","0.0523","","","0.0978","0.1047","","","","","","1.05","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115841","11.0453","0.0007","23.101","0.0016","16.8139","0.001","90","","90.156","0.003","90","","4290.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H79 Cr N2 Si2 -","- C43 H79 Cr N2 Si2 -","- C172 H316 Cr4 N8 Si8 -","4","1","","Irene C. Cai; Michael I. Lipschutz; T. Don Tilley","A bis(amido) ligand set that supports two-coordinate chromium in the +1, +2, and +3 oxidation states","Chem.Commun.","2014","50","","13062","","10.1039/C4cc06615D","","","0.71073","MoKα","","0.0607","0.0515","","","0.1176","0.1222","","","","","","1.067","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115842","14.7215","0.0004","28.4194","0.0008","14.8687","0.0004","90","","90.949","0.002","90","","6219.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H112 Cr N3 Si2 -","- C58 H112 Cr N3 Si2 -","- C232 H448 Cr4 N12 Si8 -","4","1","","Irene C. Cai; Michael I. Lipschutz; T. Don Tilley","A bis(amido) ligand set that supports two-coordinate chromium in the +1, +2, and +3 oxidation states","Chem.Commun.","2014","50","","13062","","10.1039/C4cc06615D","","","0.71073","MoKα","","0.1036","0.0574","","","0.112","0.1308","","","","","","1.013","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115843","20.868","0.004","22.184","0.004","22.207","0.005","79.546","0.003","81.047","0.004","77.042","0.003","9781","3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C176 H240 Cl2 N34 O8 -","- C176 H240 Cl2 N34 O8 -","- C352 H480 Cl4 N68 O16 -","2","1","","Kevin P. McDonald; Bo Qiao; Eric B. Twum; Semin Lee; Patrick J. Gamache; Chun-Hsing Chen; Yi Yi; Amar H. Flood","Quantifying chloride binding and salt extraction with poly(methyl methacrylate) copolymers bearing aryl-triazoles as anion receptor side chains","Chem.Commun.","2014","50","","13285","","10.1039/C4cc03362K","","","0.71073","MoKα","","0.1685","0.0717","","0.2423","0.1864","0.2423","","","","","","0.8877","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115844","7.8103","0.0007","17.0401","0.0015","20.5041","0.0016","90","","97.144","0.002","90","","2707.7","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H26 N2 O -","- C39 H26 N2 O -","- C156 H104 N8 O4 -","4","2","","Yuki Naganawa; Tomoya Namba; Tomotaka Aoyama; Kentaro Shoji; Hisao Nishiyama","Design of novel chiral N,N,O-tridentate phenanthroline ligands and their application to enantioselective addition of organozinc reagents to aldehydes","Chem.Commun.","2014","50","","13224","","10.1039/C4cc05020G","","","0.71073","MoKa","","0.0659","0.0441","","","0.0911","0.0988","","","","","","1.149","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115845","9.6458","0.0002","10.0989","0.0003","12.4871","0.0004","95.43","0.002","104.581","0.003","97.247","0.002","1157.65","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 Dy O8 -","- C23 H21 Dy O8 -","- C46 H42 Dy2 O16 -","2","1","","Julie Jung; Francois Le Natur; Olivier Cador; Fabrice Pointillart; Guillaume Calvez; Carole Daiguebonne; Olivier Guillou; Thierry Guizouarn; Boris Le Guennic; Kevin Bernot","Experimental and theoretical evidence that electrostatics governs easy-axis orientation in DyIII-based molecular chains","Chem.Commun.","2014","50","","13346","","10.1039/C4cc05062B","","","0.71073","MoKα","","0.0441","0.0377","","","0.1072","0.1129","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7115846","21.236","0.005","8.628","0.002","15.597","0.004","90","","91.619","0.004","90","","2856.6","1.2","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 N2 Ni O7 Ru S2 -","- C22 H40 N2 Ni O7 Ru S2 -","- C88 H160 N8 Ni4 O28 Ru4 S8 -","4","1","","Nga T. Nguyen; Yuki Mori; Takahiro Matsumoto; Takeshi Yatabe; Ryota Kabe; Hidetaka Nakai; Ki-Seok Yoon; Seiji Ogo","A [NiFe]hydrogenase model that catalyses the release of hydrogen from formic acid","Chem.Commun.","2014","50","","13385","","10.1039/C4cc05911E","","","0.71075","MoKα","","0.0677","0.0591","","","0.1267","0.1309","","","","","","1.135","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115847","3.3392","0.0003","4.9297","0.0003","7.4736","0.0005","76.777","0.005","86.619","0.006","78.68","0.006","117.42","0.015","120","","120","","","","","","","","","4","P -1","-P 1","2","Lithium fumarate","Dilithium fumarate","","- C4 H2 Li2 O4 -","- C4 H2 Li2 O4 -","- C4 H2 Li2 O4 -","1","0.5","","Hamish H.-M. Yeung; Monica Kosa; John M. Griffin; Clare P. Grey; Dan T. Major; Anthony K. Cheetham","Topotactic elimination of water across a C-C ligand bond in a dense 3-D metal-organic framework","Chem.Commun.","2014","50","","13292","","10.1039/C4cc06136E","","","0.71073","MoKα","","0.0277","0.0267","","","0.0761","0.0775","","","","","","1.107","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115848","11.8093","0.001","11.8093","0.001","10.9615","0.0011","90","","90","","120","","1323.9","0.2","119.95","0.1","119.95","0.1","","","","","","","","4","R 3 :H","R 3","146","Lithium malate : fumarate","Dilithium (L-malate)0.43 (fumarate)0.57","","- C4 H2.85 Li2 O4.43 -","- C4 H2.85 Li2 O4.425 -","- C36 H25.65 Li18 O39.825 -","9","1","","Hamish H.-M. Yeung; Monica Kosa; John M. Griffin; Clare P. Grey; Dan T. Major; Anthony K. Cheetham","Topotactic elimination of water across a C-C ligand bond in a dense 3-D metal-organic framework","Chem.Commun.","2014","50","","13292","","10.1039/C4cc06136E","","","0.7107","MoKα","","0.0736","0.0513","","","0.1208","0.1389","","","","","","1.069","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115849","11.76","0.0006","11.76","0.0006","11.0689","0.0007","90","","90","","120","","1325.71","0.13","120","0.1","120","0.1","","","","","","","","4","R 3 :H","R 3","146","Lithium malate : fumarate","","","- C4 H2.44 Li2 O4.22 -","- C4 H2.456 Li2 O4.228 -","- C36 H22.104 Li18 O38.052 -","9","1","","Hamish H.-M. Yeung; Monica Kosa; John M. Griffin; Clare P. Grey; Dan T. Major; Anthony K. Cheetham","Topotactic elimination of water across a C-C ligand bond in a dense 3-D metal-organic framework","Chem.Commun.","2014","50","","13292","","10.1039/C4cc06136E","","","0.7107","MoKα","","0.0588","0.0425","","","0.1084","0.1236","","","","","","1.033","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115850","11.7253","0.0015","11.7253","0.0015","11.126","0.002","90","","90","","120","","1324.7","0.3","120","","120","","","","","","","","","4","R 3 :H","R 3","146","Lithium malate : fumarate","","","- C4 H2.4 Li2 O4.2 -","- C4 H2.4 Li2 O4.2 -","- C36 H21.6 Li18 O37.8 -","9","1","","Hamish H.-M. Yeung; Monica Kosa; John M. Griffin; Clare P. Grey; Dan T. Major; Anthony K. Cheetham","Topotactic elimination of water across a C-C ligand bond in a dense 3-D metal-organic framework","Chem.Commun.","2014","50","","13292","","10.1039/C4cc06136E","","","0.7107","MoKα","","0.0997","0.0847","","","0.2339","0.2582","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115851","12.7142","0.0005","13.0337","0.0005","14.4284","0.0005","64.884","0.0011","83.659","0.0012","81.022","0.0012","2135.77","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H110 Cl2 N2 O24 Pd -","- C84 H110 Cl2 N2 O24 Pd -","- C84 H110 Cl2 N2 O24 Pd -","1","0.5","","Christina Rest; Anja Martin; Vladimir Stepanenko; Naveen Kumar Allampally; David Schmidt; Gustavo Fernandez","Multiple CH‒O interactions involving glycol chains as driving force for the self-assembly of amphiphilic Pd(II) complexes","Chem.Commun.","2014","50","","13366","","10.1039/C4cc06152G","","","0.71073","MoKα","","0.0421","0.0296","","","0.0651","0.0688","","","","","","1.024","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115852","11.176","0.002","11.555","0.002","14.069","0.003","81.66","0.03","71.23","0.03","75.56","0.03","1661.7","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H55 B10 Li N4 O2 -","- C24 H55 B10 Li N4 O2 -","- C48 H110 B20 Li2 N8 O4 -","2","1","","Nicole Harmgarth; Cristian G. Hrib; Volker Lorenz; Liane Hilfert; Frank T. Edelmann","Unprecedented formation of polycyclic diazadiborepine derivatives through cage deboronation of m-carborane","Chem.Commun.","2014","50","","13239","","10.1039/C4cc06261B","","","0.71073","MoKα","","0.0906","0.0541","","","0.1244","0.1377","","","","","","0.946","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115853","13.379","0.003","18.73","0.004","14.184","0.003","90","","96.55","0.03","90","","3531.1","1.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H59 B10 Li N4 O2 -","- C24 H59 B10 Li N4 O2 -","- C96 H236 B40 Li4 N16 O8 -","4","1","","Nicole Harmgarth; Cristian G. Hrib; Volker Lorenz; Liane Hilfert; Frank T. Edelmann","Unprecedented formation of polycyclic diazadiborepine derivatives through cage deboronation of m-carborane","Chem.Commun.","2014","50","","13239","","10.1039/C4cc06261B","","","0.71073","MoKα","","0.0936","0.0661","","","0.1678","0.1805","","","","","","1.118","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115854","10.7877","0.0002","12.047","0.0002","36.7599","0.0003","91.572","0.001","90.358","0.001","109.925","0.002","4489.02","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H65 B10 Li N4 O2 -","- C32 H65 B10 Li N4 O2 -","- C128 H260 B40 Li4 N16 O8 -","4","2","","Nicole Harmgarth; Cristian G. Hrib; Volker Lorenz; Liane Hilfert; Frank T. Edelmann","Unprecedented formation of polycyclic diazadiborepine derivatives through cage deboronation of m-carborane","Chem.Commun.","2014","50","","13239","","10.1039/C4cc06261B","","","1.54184","CuKα","","0.0518","0.0477","","","0.122","0.1256","","","","","","1.043","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115855","8.1003","0.0002","9.2891","0.0002","10.3849","0.0002","74.676","0.001","77.423","0.001","79.302","0.001","728.7","0.03","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C34 H40 O6 -","2","1","","Thomas E. Storr; Faridah Namata; Michael F. Greaney","Palladium catalysed cross-dehydrogenative-coupling of 1,3,5-trialkoxybenzenes with simple arenes","Chem.Commun.","2014","50","","13275","","10.1039/C4cc06271J","","","1.54178","CuKα","","0.0547","0.044","","","0.1362","0.1788","","","","","","1.093","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115856","34.907","0.004","19.0714","0.0016","17.8116","0.0015","90","","118.867","0.002","90","","10384.2","1.7","296","2","296","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C8 H136 Fe6 N4 Na14 O184 Se6 W34 -","- C8 Fe6 N4 Na O144 Se6 W34 -","- C16 Fe12 N8 Na2 O288 Se12 W68 -","2","0.25","","Wei-Chao Chen; Chao Qin; Xin-Long Wang; Yang-Guang Li; Hong-Ying Zang; Yan-Qing Jiao; Peng Huang; Kui-Zhan Shao; Zhong-Min Su; En-Bo Wang","Assembly of Fe-substituted Dawson-type nanoscale selenotungstate clusters with photocatalytic H2 evolution activity","Chem.Commun.","2014","50","","13265","","10.1039/C4cc06447J","","","0.71073","MoKα","","0.1047","0.06","","","0.167","0.1802","","","","","","0.996","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115857","17.6237","0.001","25.6225","0.0015","37.073","0.002","90","","91.502","0.001","90","","16735.1","1.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- Fe10 H146 N9 Na19 O286 Se8 W62 -","- Fe10 N9 Na3 O248 Se8 W62 -","- Fe20 N18 Na6 O496 Se16 W124 -","2","0.5","","Wei-Chao Chen; Chao Qin; Xin-Long Wang; Yang-Guang Li; Hong-Ying Zang; Yan-Qing Jiao; Peng Huang; Kui-Zhan Shao; Zhong-Min Su; En-Bo Wang","Assembly of Fe-substituted Dawson-type nanoscale selenotungstate clusters with photocatalytic H2 evolution activity","Chem.Commun.","2014","50","","13265","","10.1039/C4cc06447J","","","0.71073","MoKα","","0.0802","0.0455","","","0.1123","0.1214","","","","","","0.948","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115858","10.3843","0.0003","15.2193","0.0003","18.2734","0.0004","90","","90","","90","","2887.96","0.12","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol /2-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C140 H152 O20 -","4","1","","B. Barton; M. R. Caira; E. C. Hosten; C. W. McCleland; S. Weitz","Clathrates of TETROL: selective inclusion of methylcyclohexanones in their energetically unfavorable axial methyl conformations","Chem.Commun.","2014","50","","13353","","10.1039/C4cc06826B","","","0.71073","MoKα","","0.04","0.0335","","","0.082","0.0862","","","","","","1.03","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115859","12.4493","0.0006","8.2368","0.0004","13.9466","0.0007","90","","95.843","0.002","90","","1422.69","0.12","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol/3-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C70 H76 O10 -","2","1","","B. Barton; M. R. Caira; E. C. Hosten; C. W. McCleland; S. Weitz","Clathrates of TETROL: selective inclusion of methylcyclohexanones in their energetically unfavorable axial methyl conformations","Chem.Commun.","2014","50","","13353","","10.1039/C4cc06826B","","","0.71073","MoKα","","0.0532","0.0459","","","0.1269","0.1356","","","","","","1.039","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115860","8.181","0.002","9.952","0.003","10.163","0.003","79.296","0.006","68.813","0.005","65.825","0.005","703.2","0.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","none","(+)-(2R,3R)-1,1,4,4-tetraphenylbutane-1,2,3,4-tetraol/ 4-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C35 H38 O5 -","1","1","","B. Barton; M. R. Caira; E. C. Hosten; C. W. McCleland; S. Weitz","Clathrates of TETROL: selective inclusion of methylcyclohexanones in their energetically unfavorable axial methyl conformations","Chem.Commun.","2014","50","","13353","","10.1039/C4cc06826B","","","0.71073","MoKα","","0.0791","0.0515","","","0.1269","0.1338","","","","","","0.945","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115861","10.484","0.005","16.267","0.007","19.578","0.009","86.044","0.006","79.03","0.006","71.98","0.007","3117","2","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C144 H97 Cl7 Fe4 N28 -","- C144 H97 Cl7 Fe4 N28 -","- C144 H97 Cl7 Fe4 N28 -","1","0.5","","Tomoyuki Mochid; Yusuke Funasako; Kazuyuki Takahashi; Makoto Inokuchi; Takahiro Sakurai; Shohei Ikeda; Hitoshi Ohta; Hatsumi Mori; Mikio Uruichi","A biferrocenium salt containing paramagnetic tetracyanoquinodimethane hexamers: charge disproportionation via donor-acceptor interactions","Chem.Commun.","2014","50","","13370","","10.1039/C4cc06888B","","","0.71073","MoKα","","0.1218","0.0848","","","0.2101","0.2358","","","","","","1.048","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115862","8.2925","0.0004","16.1905","0.0012","18.3113","0.0017","102.701","0.007","100.959","0.006","97.914","0.005","2312.9","0.3","296.54","0.1","296.54","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O5 -","- C26 H26 N2 O5 -","- C104 H104 N8 O20 -","4","2","","Zhong-Fei Yan; Zheng-Jun Quan; Yu-Xia Da; Zhang Zhang; Xi-Cun Wang","A domino desulfurative coupling-acylation-hydration-Michael addition process for the synthesis of polysubstituted tetrahydro-4H-pyrido[1,2-a]pyrimidines","Chem.Commun.","2014","50","","13555","","10.1039/C4cc05090H","","","0.7107","MoKα","","0.1097","0.0614","","","0.1304","0.1606","","","","","","1.047","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115863","9.5965","0.0005","13.4527","0.0007","5.8626","0.0003","90","","91.639","0.005","90","","756.55","0.07","109.16","0.1","109.16","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Se4 -","- C16 H10 Se4 -","- C32 H20 Se8 -","2","0.5","","Anjan Bedi; Sashi Debnath; Sanjio S. Zade","Diselenolodiselenole: a selenium containing fused heterocycle for conjugated systems","Chem.Commun.","2014","50","","13454","","10.1039/C4cc05439C","","x-ray","1.54184","CuKα","","0.0358","0.0338","","","0.1063","0.1101","","","","","","0.885","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115864","24.5589","0.0015","11.0932","0.0005","5.567","0.0003","90","","92.535","0.004","90","","1515.17","0.14","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 S2 Se4 -","- C12 H6 S2 Se4 -","- C48 H24 S8 Se16 -","4","0.5","","Anjan Bedi; Sashi Debnath; Sanjio S. Zade","Diselenolodiselenole: a selenium containing fused heterocycle for conjugated systems","Chem.Commun.","2014","50","","13454","","10.1039/C4cc05439C","","","0.71073","MoKα","","0.0578","0.0495","","","0.1302","0.1373","","","","","","1.017","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115865","18.1478","0.0013","5.4977","0.0004","14.5628","0.0009","90","","92.282","0.007","90","","1451.8","0.17","140.82","0.1","140.82","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 O2 Se4 -","- C28 H34 O2 Se4 -","- C56 H68 O4 Se8 -","2","0.5","","Anjan Bedi; Sashi Debnath; Sanjio S. Zade","Diselenolodiselenole: a selenium containing fused heterocycle for conjugated systems","Chem.Commun.","2014","50","","13454","","10.1039/C4cc05439C","","x-ray","0.71073","MoKα","","0.0889","0.0462","","","0.087","0.1051","","","","","","0.975","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115866","32.9263","0.0006","35.2939","0.0007","11.3229","0.0002","90","","109.952","0.0009","90","","12368.5","0.4","110","2","110","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C97 H48 N9 Na3 O25 Pr2 Zn2 -","- C97 H48 N9 Na3 O25 Pr2 Zn2 -","- C388 H192 N36 Na12 O100 Pr8 Zn8 -","4","0.5","","Goutam Nandi; Israel Goldberg","Fixation of CO2 in bi-layered coordination networks of zinc tetra(4-carboxyphenyl)porphyrin with multi-component [Pr2Na3(NO3)(H2O)3] connectors","Chem.Commun.","2014","50","","13612","","10.1039/C4cc05601A","","","0.71073","MoKα","","0.0762","0.0559","","","0.1611","0.1763","","","","","","1.134","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115867","33.0534","0.0012","35.2658","0.0013","11.3","0.0006","90","","109.685","0.003","90","","12402.1","0.9","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C96 H53 N9 Na3 O23 Pr2 -","- C96 H53 N9 Na3 O23 Pr2 -","- C384 H212 N36 Na12 O92 Pr8 -","4","0.5","","Goutam Nandi; Israel Goldberg","Fixation of CO2 in bi-layered coordination networks of zinc tetra(4-carboxyphenyl)porphyrin with multi-component [Pr2Na3(NO3)(H2O)3] connectors","Chem.Commun.","2014","50","","13612","","10.1039/C4cc05601A","","","0.71073","MoKα","","0.1059","0.0688","","","0.1801","0.1953","","","","","","1.206","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115868","32.9517","0.0015","35.3409","0.0016","11.175","0.0006","90","","109.182","0.001","90","","12291.2","1","110","2","110","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C97 H48 N9 Na3 Nd2 O27 Zn2 -","- C97 H48 N9 Na3 Nd2 O27 Zn2 -","- C388 H192 N36 Na12 Nd8 O108 Zn8 -","4","0.5","","Goutam Nandi; Israel Goldberg","Fixation of CO2 in bi-layered coordination networks of zinc tetra(4-carboxyphenyl)porphyrin with multi-component [Pr2Na3(NO3)(H2O)3] connectors","Chem.Commun.","2014","50","","13612","","10.1039/C4cc05601A","","","0.71073","MoKα","","0.0757","0.0558","","","0.1621","0.1761","","","","","","1.205","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115869","32.8029","0.0017","35.0128","0.0018","11.4791","0.0005","90","","110.198","0.0009","90","","12373.2","1.1","110","2","110","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C97 H54 N9 Na4 O26 Sm2 Zn2 -","- C97 H54 N9 Na4 O26 Sm2 Zn2 -","- C388 H216 N36 Na16 O104 Sm8 Zn8 -","4","0.5","","Goutam Nandi; Israel Goldberg","Fixation of CO2 in bi-layered coordination networks of zinc tetra(4-carboxyphenyl)porphyrin with multi-component [Pr2Na3(NO3)(H2O)3] connectors","Chem.Commun.","2014","50","","13612","","10.1039/C4cc05601A","","","0.71073","MoKα","","0.0465","0.0384","","","0.1056","0.1088","","","","","","1.087","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115870","32.9116","0.0009","34.7726","0.0009","11.5106","0.0003","90","","109.958","0.002","90","","12381.9","0.6","110","2","110","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C97 H54 Gd2 N9 Na4 O26 Zn2 -","- C97 H54 Gd2 N9 Na4 O26 Zn2 -","- C388 H216 Gd8 N36 Na16 O104 Zn8 -","4","0.5","","Goutam Nandi; Israel Goldberg","Fixation of CO2 in bi-layered coordination networks of zinc tetra(4-carboxyphenyl)porphyrin with multi-component [Pr2Na3(NO3)(H2O)3] connectors","Chem.Commun.","2014","50","","13612","","10.1039/C4cc05601A","","","0.71073","MoKα","","0.0348","0.0326","","","0.0861","0.0871","","","","","","1.084","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115871","32.7734","0.0013","34.8731","0.0014","11.4924","0.0005","90","","109.729","0.0018","90","","12363.8","0.9","110","2","110","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C97 H50 Dy2 N9 Na4 O25 Zn2 -","- C97 H50 Dy2 N9 Na4 O25 Zn2 -","- C388 H200 Dy8 N36 Na16 O100 Zn8 -","4","0.5","","Goutam Nandi; Israel Goldberg","Fixation of CO2 in bi-layered coordination networks of zinc tetra(4-carboxyphenyl)porphyrin with multi-component [Pr2Na3(NO3)(H2O)3] connectors","Chem.Commun.","2014","50","","13612","","10.1039/C4cc05601A","","","0.71073","MoKα","","0.0414","0.0367","","","0.1015","0.1036","","","","","","1.12","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115872","12.0069","0.0004","13.809","0.0004","17.8205","0.0006","77.117","0.0015","75.435","0.0012","76.63","0.0012","2739.29","0.15","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H60 Dy2 N8 Na O20 -","- C96 H60 Dy2 N8 Na O20 -","- C96 H60 Dy2 N8 Na O20 -","1","0.5","","Goutam Nandi; Israel Goldberg","Fixation of CO2 in bi-layered coordination networks of zinc tetra(4-carboxyphenyl)porphyrin with multi-component [Pr2Na3(NO3)(H2O)3] connectors","Chem.Commun.","2014","50","","13612","","10.1039/C4cc05601A","","","0.71073","MoKα","","0.0233","0.0211","","","0.0574","0.0584","","","","","","1.064","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115873","6.4059","0.0002","16.3502","0.0005","17.8196","0.0005","98.109","0.001","94.056","0.001","95.651","0.001","1831.95","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H60 N6 Na8 O20 -","- C64 H60 N6 Na8 O20 -","- C64 H60 N6 Na8 O20 -","1","0.5","","Goutam Nandi; Israel Goldberg","Fixation of CO2 in bi-layered coordination networks of zinc tetra(4-carboxyphenyl)porphyrin with multi-component [Pr2Na3(NO3)(H2O)3] connectors","Chem.Commun.","2014","50","","13612","","10.1039/C4cc05601A","","","0.71073","MoKα","","0.0917","0.0661","","","0.1793","0.1915","","","","","","1.111","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7115874","11.697","0.002","14.397","0.003","26.731","0.007","90","","104.09","0.03","90","","4366.1","1.7","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C25 H19 N3 O4 -","- C25 H19 N3 O4 -","- C200 H152 N24 O32 -","8","4","","Mei Yang; Tianyi Wang; Shixuan Cao; Zhengjie He","Phosphine-catalyzed [4+1] annulation of 1,3-(aza)dienes with maleimides: highly efficient construction of azaspiro[4.4]nonenes","Chem.Commun.","2014","50","","13506","","10.1039/C4cc05624H","","","0.71073","MoKα","","0.0842","0.0579","","","0.1229","0.1372","","","","","","0.994","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115875","18.614","0.004","8.355","0.0017","18.861","0.004","90","","116.82","0.03","90","","2617.7","1.2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N2 O6 S -","- C29 H26 N2 O6 S -","- C116 H104 N8 O24 S4 -","4","1","","Mei Yang; Tianyi Wang; Shixuan Cao; Zhengjie He","Phosphine-catalyzed [4+1] annulation of 1,3-(aza)dienes with maleimides: highly efficient construction of azaspiro[4.4]nonenes","Chem.Commun.","2014","50","","13506","","10.1039/C4cc05624H","","","0.71073","MoKα","","0.0587","0.0468","","","0.1142","0.1255","","","","","","1.025","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115876","10.881","0.008","14.131","0.007","16.395","0.009","69.74","0.017","77.21","0.02","71.67","0.02","2227","2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H56 N2 O3 -","- C55 H56 N2 O3 -","- C110 H112 N4 O6 -","2","1","","Yu-Mo Zhang; Xiaojun Wang; Wen Li; Weiran Zhang; Minjie Li; Sean Xiao-An Zhang","Bio-inspired enol-degradation for multipurpose oxygen sensing","Chem.Commun.","2014","50","","13477","","10.1039/C4cc05831C","","","0.71073","MoKα","","0.3491","0.1624","","","0.353","0.4566","","","","","","1.071","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115877","6.182","0.004","28.795","0.017","9.743","0.006","90","","106.277","0.01","90","","1664.8","1.8","293","2","293","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","K. K. Durga Rao Viswanadham; Muktapuram Prathap Reddy; Pochampalli Sathyanarayana; Owk Ravi; Ruchir Kant; Surendar Reddy Bathula","Iodine-mediated oxidative annulation for one-pot synthesis of pyrazines and quinoxalines using a multipathway coupled domino strategy","Chem.Commun.","2014","50","","13517","","10.1039/C4cc05844E","","","0.71075","MoKα","","0.0996","0.0678","","","0.1946","0.2328","","","","","","1.151","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115878","8.9713","0.0003","7.80672","0.00018","9.976","0.0003","90","","111.826","0.004","90","","648.6","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 F O -","- C16 H19 F O -","- C32 H38 F2 O2 -","2","1","","Fedor Romanov-Michailidis; Marion Pupier; Laure Guenee; Alexandre Alexakis","Enantioselective halogenative semi-pinacol rearrangement: a stereodivergent reaction on a racemic mixture","Chem.Commun.","2014","50","","13461","","10.1039/C4cc05923A","","","1.54184","CuKα","","0.0291","0.0282","","","0.0789","0.0798","","","","","","1.066","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115879","6.10937","0.00008","10.50654","0.00013","21.0764","0.0003","90","","90","","90","","1352.86","0.03","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 F O2 -","- C16 H19 F O2 -","- C64 H76 F4 O8 -","4","1","","Fedor Romanov-Michailidis; Marion Pupier; Laure Guenee; Alexandre Alexakis","Enantioselective halogenative semi-pinacol rearrangement: a stereodivergent reaction on a racemic mixture","Chem.Commun.","2014","50","","13461","","10.1039/C4cc05923A","","","1.54184","CuKα","","0.0346","0.0328","","","0.087","0.0899","","","","","","1.032","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115880","6.83236","0.00018","7.7016","0.0002","23.5545","0.0006","90","","90","","90","","1239.44","0.06","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F2 O -","- C15 H16 F2 O -","- C60 H64 F8 O4 -","4","1","","Fedor Romanov-Michailidis; Marion Pupier; Laure Guenee; Alexandre Alexakis","Enantioselective halogenative semi-pinacol rearrangement: a stereodivergent reaction on a racemic mixture","Chem.Commun.","2014","50","","13461","","10.1039/C4cc05923A","","","1.54184","CuKα","","0.0327","0.032","","","0.0878","0.0885","","","","","","1.076","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115881","7.28437","0.00012","7.79577","0.00013","24.4543","0.0003","90","","90","","90","","1388.69","0.04","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br O -","- C16 H19 Br O -","- C64 H76 Br4 O4 -","4","1","","Fedor Romanov-Michailidis; Marion Pupier; Laure Guenee; Alexandre Alexakis","Enantioselective halogenative semi-pinacol rearrangement: a stereodivergent reaction on a racemic mixture","Chem.Commun.","2014","50","","13461","","10.1039/C4cc05923A","","","1.54184","CuKα","","0.0282","0.028","","","0.0743","0.0745","","","","","","1.078","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115882","11.046","0.002","11.633","0.002","16.246","0.003","78.69","0.03","73.81","0.03","88.58","0.03","1964.9","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 Eu2 N2 O16 -","- C44 H30 Eu2 N2 O16 -","- C88 H60 Eu4 N4 O32 -","2","1","","Hengjun Chen; Guiming Zheng; Min Li; Yifang Wang; Yang Song; Conghui Han; Jingcao Dai; Zhiyong Fu","Photo- and thermo-activated electron transfer system based on a luminescent europium organic framework with spectral response from UV to visible range","Chem.Commun.","2014","50","","13544","","10.1039/C4cc05975A","","","0.71073","MoKα","","0.0592","0.0454","","","0.1113","0.1189","","","","","","1.059","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115883","11.3593","0.0004","22.5823","0.0008","16.5923","0.0005","90","","92.129","0.002","90","","4253.3","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 Mg3 N2 O18 -","- C37 H33 Mg3 N2 O18 -","- C148 H132 Mg12 N8 O72 -","4","1","","Sohini Bhattacharyya; Anindita Chakraborty; Kolleboyina Jayaramulu; Arpan Hazra; Tapas Kumar Maji","A bimodal anionic MOF: turn-off sensing of CuII and specific sensitization of EuIII","Chem.Commun.","2014","50","","13567","","10.1039/C4cc05991C","","","0.71073","MoKα","","0.2042","0.0992","","","0.2302","0.2988","","","","","","1.011","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115884","13.9144","0.0001","7.4231","0.0001","23.8094","0.0001","90","","97.5321","0.0005","90","","2438.01","0.04","150","","150","","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","pyrroloindoline_1","","","- C25 H26 F N3 O8 -","- C25 H26 F N3 O8 -","- C100 H104 F4 N12 O32 -","4","1","","Jamie R. Wolstenhulme; Alex Cavell; Matija Gredicak; Russell W. Driver; Martin D. Smith","A cation-directed two-component cascade approach to enantioenriched pyrroloindolines","Chem.Commun.","2014","50","","13585","","10.1039/C4cc06683A","","","1.5418","CuKα","","0.0377","0.0376","","0.0964","0.0964","0.0964","","","","","","1.0422","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115885","13.7695","0.0002","7.385","0.0002","24.6016","0.0004","90","","97.695","0.001","90","","2479.15","0.09","100","","100","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","pyrroloindoline_2","","","- C26 H29 N3 O8 -","- C26 H29 N3 O8 -","- C104 H116 N12 O32 -","4","1","","Jamie R. Wolstenhulme; Alex Cavell; Matija Gredicak; Russell W. Driver; Martin D. Smith","A cation-directed two-component cascade approach to enantioenriched pyrroloindolines","Chem.Commun.","2014","50","","13585","","10.1039/C4cc06683A","","","0.6889","synchrotron","","0.0406","0.0377","","0.1069","0.0963","0.1054","","","","","","1.0234","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115886","12.7056","0.0003","26.8163","0.0005","7.036","0.0002","90","","95.887","0.002","90","","2384.64","0.1","100","","100","","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","spirocyclic pyrroline_1","","","- C27 H21 F N4 O6 -","- C27 H21 F N4 O6 -","- C108 H84 F4 N16 O24 -","4","1","","Jamie R. Wolstenhulme; Alex Cavell; Matija Gredicak; Russell W. Driver; Martin D. Smith","A cation-directed two-component cascade approach to enantioenriched pyrroloindolines","Chem.Commun.","2014","50","","13585","","10.1039/C4cc06683A","","","0.6889","synchrotron","","0.0894","0.0724","","0.1726","0.1633","0.1726","","","","","","0.978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115887","15.47","0.002","9.988","0.001","18.047","0.003","90","","108.19","0.006","90","","2649.2","0.6","150","","150","","","","","","","","synthesis","5","P 1 21/n 1","-P 2yn","14","spirocyclic pyrroline_2","","","- C28 H17 F7 N4 O6 -","- C28 H17 F7 N4 O6 -","- C112 H68 F28 N16 O24 -","4","1","","Jamie R. Wolstenhulme; Alex Cavell; Matija Gredicak; Russell W. Driver; Martin D. Smith","A cation-directed two-component cascade approach to enantioenriched pyrroloindolines","Chem.Commun.","2014","50","","13585","","10.1039/C4cc06683A","","","0.71073","MoKα","","0.0591","0.048","","0.1217","0.1117","0.1217","","","","","","0.9091","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115888","7.9955","0.0004","10.0717","0.0005","16.9314","0.0009","76.919","0.005","89.286","0.004","83.437","0.004","1319.25","0.12","150","","150","","","","","","","","synthesis","5","P -1","-P 1","2","spirocyclic pyrroline_3","","","- C28 H17 F7 N4 O6 -","- C28 H17 F7 N4 O6 -","- C56 H34 F14 N8 O12 -","2","1","","Jamie R. Wolstenhulme; Alex Cavell; Matija Gredicak; Russell W. Driver; Martin D. Smith","A cation-directed two-component cascade approach to enantioenriched pyrroloindolines","Chem.Commun.","2014","50","","13585","","10.1039/C4cc06683A","","","1.5418","CuKα","","0.0503","0.0417","","0.1138","0.1056","0.1135","","","","","","0.9706","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115894","4.9262","0.0011","38.578","0.009","13.082","0.004","90","","94.038","0.008","90","","2480","1.1","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H26 Cl N3 O11 Pt S -","- C21 H22 Cl N3 O11 Pt S -","- C84 H88 Cl4 N12 O44 Pt4 S4 -","4","2","","Naoki Kitani; Naoto Kuwamura; Toshiaki Tsukuda; Nobuto Yoshinari; Takumi Konno","Counteranion-dependent mechanochromism of a photoluminescent platinum(II) complex with mixed terpyridine and thioglucose","Chem.Commun.","2014","50","","13529","","10.1039/C4cc06775D","","","0.71075","MoKα","","0.2182","0.1332","","","0.2876","0.3226","","","","","","1.123","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115895","7.9715","0.0003","13.0562","0.0004","14.16","0.0005","63.162","0.005","89.461","0.007","77.05","0.006","1274.39","0.11","200","","200","","","","","","","","","8","P 1","P 1","1","","","","- C21 H25 F6 N3 O6.5 P Pt S -","- C21 H22 F6 N3 O6.5 P Pt S -","- C42 H44 F12 N6 O13 P2 Pt2 S2 -","2","2","","Naoki Kitani; Naoto Kuwamura; Toshiaki Tsukuda; Nobuto Yoshinari; Takumi Konno","Counteranion-dependent mechanochromism of a photoluminescent platinum(II) complex with mixed terpyridine and thioglucose","Chem.Commun.","2014","50","","13529","","10.1039/C4cc06775D","","","0.71075","MoKα","","","0.0748","","","","0.1827","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115896","15.9174","0.0015","15.9174","0.0015","44.26","0.006","90","","90","","120","","9711.5","1.8","123","2","123","2","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C45 H43 Ag3 Cl3 F18 N12 O5 Sb3 -","- C45 H43 Ag3 Cl3 F18 N12 O5 Sb3 -","- C270 H258 Ag18 Cl18 F108 N72 O30 Sb18 -","6","0.5","","Jun-Yan Cheng; Peng Wang; Jian-Ping Ma; Qi-Kui Liu; Yu-Bin Dong","A nanoporous Ag(I)-MOF showing unique selective adsorption of benzene among its organic analogues","Chem.Commun.","2014","50","","13672","","10.1039/C4cc03204G","","","0.71073","MoKα","","0.0694","0.0646","","","0.1792","0.1855","","","","","","1.059","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115897","15.825","0.005","15.825","0.005","43.703","0.019","90","","90","","120","","9478","6","173","2","173","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C44 H40 Ag3 F18 N12 O4 Sb3 -","- C44 H40 Ag3 F18 N12 O4 Sb3 -","- C264 H240 Ag18 F108 N72 O24 Sb18 -","6","0.5","","Jun-Yan Cheng; Peng Wang; Jian-Ping Ma; Qi-Kui Liu; Yu-Bin Dong","A nanoporous Ag(I)-MOF showing unique selective adsorption of benzene among its organic analogues","Chem.Commun.","2014","50","","13672","","10.1039/C4cc03204G","","","0.71073","MoKα","","0.0635","0.0507","","","0.1237","0.1304","","","","","","1.027","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115898","29.9311","0.0009","14.6378","0.0003","28.7485","0.0006","90","","98.328","0.002","90","","12462.6","0.5","112","2","112","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","gallium (III) PPIX chloroquine complex","","","- C57.75 H76.25 Cl Ga N7 O13.25 -","- C57.75 H76.25 Cl Ga N7 O13.25 -","- C462 H610 Cl8 Ga8 N56 O106 -","8","1","","Erin L. Dodd; D. Scott Bohle","Orienting the heterocyclic periphery: a structural model for chloroquine's antimalarial activity","Chem.Commun.","2014","50","","13765","","10.1039/C4cc05328A","","","1.54178","CuKα","","0.0925","0.0642","","","0.1735","0.1926","","","","","","1.035","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115899","17.0466","0.0007","18.6805","0.0007","21.1943","0.0005","72.532","0.003","66.428","0.003","68.592","0.004","5664.3","0.4","295.9","0.5","295.9","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C86 H94 Cu5 N3 O22 P -","- C86 H94 Cu5 N3 O22 P -","- C172 H188 Cu10 N6 O44 P2 -","2","1","","Marzio Rancan; Jacopo Tessarolo; Silvio Quicic; Lidia Armelao","Post-assembly guest oxidation in a metallo-supramolecular host and structural rearrangement to a coordination polymer","Chem.Commun.","2014","50","","13761","","10.1039/C4cc05422A","","","0.71073","MoKα","","0.0703","0.0528","","","0.151","0.1619","","","","","","0.994","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115900","12.179","0.003","7.384","0.002","14.019","0.004","90","","92.13","0.006","90","","1259.9","0.6","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H29 Br N2 O5 S Si -","- C21 H29 Br N2 O5 S Si -","- C42 H58 Br2 N4 O10 S2 Si2 -","2","1","","Juan Qi; Guo-Tao Fan; Jie Chen; Ming-Hui Sun; Yu-Ting Dong; Ling Zhou","Catalytic enantioselective bromoamination of allylic alcohols","Chem.Commun.","2014","50","","13841","","10.1039/C4cc05772D","","","0.71073","MoKα","","0.1328","0.0621","","","0.1256","0.1818","","","","","","1.075","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115902","13.9953","0.0004","13.9953","0.0004","104.431","0.003","90","","90","","90","","20454.7","1","93","2","93","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C156 H140 B12 N4 O32 -","- C156 H140 B12 N4 O32 -","- C624 H560 B48 N16 O128 -","4","0.5","","Kosuke Ono; Ryo Aizawa; Taiki Yamano; Suguru Ito; Nobuhiro Yasuda; Kohei Johmoto; Hidehiro Uekusa; Nobuharu Iwasawa","Procedure-dependent construction of two isomers of trimeric self-assembled boronic esters","Chem.Commun.","2014","50","","13683","","10.1039/C4cc05836D","","","1.54186","CuKα","","0.0716","0.0573","","","0.1692","0.1794","","","","","","0.933","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115903","25.7426","0.0008","21.2737","0.0006","42.0407","0.0011","90","","98.2499","0.001","90","","22784.9","1.1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C180.15 H167.6 B12 N4 O32 -","- C180.15 H167.6 B12 N4 O32 -","- C720.6 H670.4 B48 N16 O128 -","4","1","","Kosuke Ono; Ryo Aizawa; Taiki Yamano; Suguru Ito; Nobuhiro Yasuda; Kohei Johmoto; Hidehiro Uekusa; Nobuharu Iwasawa","Procedure-dependent construction of two isomers of trimeric self-assembled boronic esters","Chem.Commun.","2014","50","","13683","","10.1039/C4cc05836D","","","0.78215","Synchrotron","","0.1756","0.1104","","","0.2693","0.2986","","","","","","0.948","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115904","7.441","0.002","17.725","0.005","30.886","0.009","104.188","0.004","91.911","0.004","91.436","0.004","3944.8","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tricyano-tris-p-trifluoromethylphenylsubporphyrazine","","- C86 H40 B2 Cl2 F18 N18 -","- C86 H40 B2 Cl2 F18 N18 -","- C172 H80 B4 Cl4 F36 N36 -","2","1","","Xu Liang; Soji Shimizu; Nagao Kobayashi","Sizeable red-shift of absorption and fluorescence of subporphyrazine induced by peripheral push and pull substitution","Chem.Commun.","2014","50","","13781","","10.1039/C4cc05943C","","","0.71073","MoKα","","0.0961","0.0652","","","0.133","0.1481","","","","","","1.054","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115905","34.172","0.005","34.172","0.005","34.172","0.005","90","","90","","90","","39904","10","293","2","293","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C21 H15 Cu3 N3 O30.75 -","- C21 H15 Cu3 N3 O30.75 -","- C672 H480 Cu96 N96 O984 -","32","0.666667","","Ivan Burneo; Kyriakos C. Stylianou; Inhar Imaz; Daniel Maspoch","The influence of the enantiomeric ratio of an organic ligand on the structure and chirality of metal-organic frameworks","Chem.Commun.","2014","50","","13829","","10.1039/C4cc06190J","","","0.71069","MoKα","","0.092","0.0828","","","0.277","0.2926","","","","","","1.323","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115906","34.182","0.003","34.182","0.003","34.182","0.003","90","","90","","90","","39939","6","293","2","293","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C21 H15 Cu3 N3 O30.75 -","- C21 H15 Cu3 N3 O30.75 -","- C672 H480 Cu96 N96 O984 -","32","0.666667","","Ivan Burneo; Kyriakos C. Stylianou; Inhar Imaz; Daniel Maspoch","The influence of the enantiomeric ratio of an organic ligand on the structure and chirality of metal-organic frameworks","Chem.Commun.","2014","50","","13829","","10.1039/C4cc06190J","","","0.71069","MoKα","","0.0897","0.0836","","","0.267","0.2775","","","","","","1.196","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115907","17.53","0.003","20.037","0.003","21.05","0.003","90","","90","","90","","7394","2","293","2","293","2","","","","","","","","5","P c n n","-P 2ab 2c","52","","","","- C21 H15 Cu3 N3 O26.5 -","- C21 H15 Cu3 N3 O26.5 -","- C168 H120 Cu24 N24 O212 -","8","1","","Ivan Burneo; Kyriakos C. Stylianou; Inhar Imaz; Daniel Maspoch","The influence of the enantiomeric ratio of an organic ligand on the structure and chirality of metal-organic frameworks","Chem.Commun.","2014","50","","13829","","10.1039/C4cc06190J","","","0.71073","MoKα","","0.0716","0.0659","","","0.2013","0.2084","","","","","","1.048","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115908","5.2172","0.0003","12.8186","0.0006","21.7125","0.0015","90","","90","","90","","1452.07","0.15","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Br2 O4 -","- C10 H20 Br2 O4 -","- C40 H80 Br8 O16 -","4","1","","D. Christopher Braddock; Alison X. Gao; Andrew J. P. White; Mariko Whyte","Studies towards the synthesis of halomon: asymmetric hexafunctionalisation of myrcene","Chem.Commun.","2014","50","","13725","","10.1039/C4cc06234E","","","0.71073","MoKα","","0.0961","0.0543","","","0.0713","0.083","","","","","","1.069","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115909","5.56972","0.0001","9.61673","0.00017","15.4286","0.0003","90","","97.5499","0.0016","90","","819.23","0.03","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 Br2 O2 -","- C5 H10 Br2 O2 -","- C20 H40 Br8 O8 -","4","1","","D. Christopher Braddock; Alison X. Gao; Andrew J. P. White; Mariko Whyte","Studies towards the synthesis of halomon: asymmetric hexafunctionalisation of myrcene","Chem.Commun.","2014","50","","13725","","10.1039/C4cc06234E","","","1.54184","CuKα","","0.0259","0.0223","","","0.0508","0.0519","","","","","","1.079","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115910","8.6889","0.0001","12.4675","0.0001","19.3325","0.0001","90","","95.3245","0.0002","90","","2085.23","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 I2 N6 Zn -","- C18 H12 I2 N6 Zn -","- C72 H48 I8 N24 Zn4 -","4","1","","Tatsuhiro Kojima; Wanuk Choi; Masaki Kawano","Single-crystal growth of coordination networks via the gas phase and dependence of iodine encapsulation on the crystal size","Chem.Commun.","2014","50","","13793","","10.1039/C4cc06342B","","","0.6889","synchrotron","","0.0491","0.0407","","","0.1272","0.1339","","","","","","1.122","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115911","12.8127","0.0002","29.8455","0.0005","6.6007","0.0001","90","","90","","90","","2524.12","0.07","293","2","293","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C72 H48 I12 N24 Zn6 -","2","0.25","","Tatsuhiro Kojima; Wanuk Choi; Masaki Kawano","Single-crystal growth of coordination networks via the gas phase and dependence of iodine encapsulation on the crystal size","Chem.Commun.","2014","50","","13793","","10.1039/C4cc06342B","","","0.7","synchrotron","","0.0734","0.0683","","","0.2168","0.2232","","","","","","1.071","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115912","17.8543","0.0003","15.2865","0.0002","19.0223","0.0002","90","","90","","90","","5191.75","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H12 I4 N6 Zn2 -","- C18 H12 I4 N6 Zn2 -","- C144 H96 I32 N48 Zn16 -","8","1","","Tatsuhiro Kojima; Wanuk Choi; Masaki Kawano","Single-crystal growth of coordination networks via the gas phase and dependence of iodine encapsulation on the crystal size","Chem.Commun.","2014","50","","13793","","10.1039/C4cc06342B","","","0.7","synchrotron","","0.0737","0.0587","","","0.1883","0.2035","","","","","","1.109","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115913","5.3793","0.0002","13.1499","0.0005","17.4076","0.0006","90","","90","","90","","1231.37","0.08","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O6 S -","- C11 H13 N O6 S -","- C44 H52 N4 O24 S4 -","4","1","","Jin-ah Kim; Yeon Ji Seo; Soyeong Kang; Juae Han; Hyeon-Kyu Lee","Stereoselective synthesis of 4-substituted-cyclic sulfamidate-5-carboxylates by asymmetric transfer hydrogenation accompanied by dynamic kinetic resolution and applications to concise stereoselective syntheses of (‒)-epi-cytoxazone and the taxotere side-chain","Chem.Commun.","2014","50","","13706","","10.1039/C4cc06395C","","","0.71073","MoKα","","0.0261","0.0253","","","0.0722","0.0732","","","","","","1.051","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115914","8.0288","0.0016","9.2244","0.0019","11.46","0.003","103.126","0.005","98.144","0.007","98.902","0.005","802.7","0.3","100","","100","","","","","","","","","4","P 1","P 1","1","2013_06_26","","","- C20 H18 O2 S -","- C20 H18 O2 S -","- C40 H36 O4 S2 -","2","2","","Bjarke S. Donslund; Kim Soholm Halskov; Lars A. Leth; Bruno Matos Paz; Karl Anker Jorgensen","Organocatalytic asymmetric strategies to carbocyclic structures by gamma-alkylation-annulation sequences","Chem.Commun.","2014","50","","13676","","10.1039/C4cc06556E","","","0.56086","MoKα","","0.0798","0.0563","","","0.1228","0.1354","","","","","","1.057","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115915","11.8439","0.0004","11.8914","0.0002","22.4284","0.0006","90","","90","","90","","3158.83","0.15","99.99","0.13","99.99","0.13","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Cl N O2 -","- C20 H16 Cl N O2 -","- C160 H128 Cl8 N8 O16 -","8","2","","Bjarke S. Donslund; Kim Soholm Halskov; Lars A. Leth; Bruno Matos Paz; Karl Anker Jorgensen","Organocatalytic asymmetric strategies to carbocyclic structures by gamma-alkylation-annulation sequences","Chem.Commun.","2014","50","","13676","","10.1039/C4cc06556E","","x-ray","0.71073","MoKα","","0.0918","0.0597","","","0.1222","0.1417","","","","","","1.04","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115916","15.186","0.0003","15.6438","0.0004","17.8126","0.0004","102.749","0.002","104.425","0.001","98.327","0.001","3906.8","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H66 F12 Fe N12 P2 -","- C80 H66 F12 Fe N12 P2 -","- C160 H132 F24 Fe2 N24 P4 -","2","1","","S. Alan Cramer; Raul Hernandez Sanchez; Desirae F. Brakhage; David M. Jenkins","Probing the role of an FeIV tetrazene in catalytic aziridination","Chem.Commun.","2014","50","","13967","","10.1039/C4cc05124F","","","0.71073","MoKα","","0.0852","0.0552","","","0.15","0.1739","","","","","","0.699","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115917","12.4027","0.0015","14.6327","0.0016","20.937","0.002","75.828","0.002","80.55","0.002","66.358","0.002","3365.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H67.65 F6 Fe N12.45 P -","- C81 H67.653 F6 Fe N12.449 P -","- C162 H135.306 F12 Fe2 N24.898 P2 -","2","1","","S. Alan Cramer; Raul Hernandez Sanchez; Desirae F. Brakhage; David M. Jenkins","Probing the role of an FeIV tetrazene in catalytic aziridination","Chem.Commun.","2014","50","","13967","","10.1039/C4cc05124F","","","0.71073","MoKα","","0.0742","0.053","","","0.1363","0.1479","","","","","","1.169","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115918","10.166","0.0004","10.7702","0.0003","11.7522","0.0005","86.6531","0.0019","78.2796","0.0019","66.1999","0.0018","1152.37","0.08","115","","115","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C30 H18 B N7 O -","- C30 H18 B N7 O -","- C60 H36 B2 N14 O2 -","2","1","","Yann Bernhard; Pascale Winckler; Remi Chassagnon; Philippe Richard; Elodie Gigot; Jean-Marie Perrier-Cornet; Richard A. Decreau","Subphthalocyanines: addressing water-solubility, nano-encapsulation, and activation for optical imaging of B16 melanoma cells","Chem.Commun.","2014","50","","13975","","10.1039/C4cc05503A","","x-ray","0.71073","MoKα","","0.067","0.0486","","","0.092","0.1024","","","","","","1.084","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115919","13.6073","0.0011","24.816","0.002","25.86","0.002","90","","90","","90","","8732.4","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C96 H112 Mg2 N8 O4 S -","- C96 H112 Mg2 N8 O4 S -","- C384 H448 Mg8 N32 O16 S4 -","4","1","","Sk. Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath","Transfer and control of molecular chirality in the 1 : 2 host-guest supramolecular complex consisting of Mg(II)bisporphyrin and chiral diols: the effect of H-bonding on the rationalization of chirality","Chem.Commun.","2014","50","","14037","","10.1039/C4cc06092J","","","0.71073","MoKα","","0.0768","0.0579","","","0.1399","0.1522","","","","","","1.047","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115920","6.2745","0.0004","9.0192","0.0006","26.8007","0.0017","90","","90","","90","","1516.68","0.17","296","2","296","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","","(S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid","","- C13 H20 Cl N O5 -","- C13 H20 Cl N O5 -","- C52 H80 Cl4 N4 O20 -","4","1","","Chuanqing Kang; Lanlan Wang; Zheng Bian; Haiquan Guo; Xiaoye Ma; Xuepeng Qiu; Lianxun Gao","Supramolecular hydrogels derived from cyclic amino acids and their applications in the synthesis of Pt and Ir nanocrystals","Chem.Commun.","2014","50","","13979","","10.1039/C4cc06419D","","","0.71073","MoKα","","0.04","0.0324","","","0.0742","0.0777","","","","","","1.028","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115922","8.3849","0.0003","12.0609","0.0004","19.3266","0.0006","90","","95.801","0.003","90","","1944.48","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N O5 P -","- C20 H22 N O5 P -","- C80 H88 N4 O20 P4 -","4","1","","Li-Jing Wang; An-Qi Wang; Yu Xia; Xin-Xing Wu; Xue-Yuan Liu; Yong-Min Liang","Silver-catalyzed carbon-phosphorus functionalization of N-(p-methoxyaryl)propiolamides coupled with dearomatization: access to phosphorylated aza-decenones","Chem.Commun.","2014","50","","13998","","10.1039/C4cc06923D","","x-ray","1.54184","CuKα","","0.0609","0.0497","","","0.1366","0.1501","","","","","","1.037","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115923","6.904","0.0006","28.724","0.002","8.0911","0.0007","90","","90.129","0.002","90","","1604.5","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H21 N -","- C21 H21 N -","- C84 H84 N4 -","4","2","","Tapan Maji; Kinthada Ramakumar; Jon A. Tunge","Retro-Claisen benzylation: direct use of benzyl alcohols in Pd-catalyzed couplings with nitriles","Chem.Commun.","2014","50","","14045","","10.1039/C4cc07001A","","","1.54178","CuKα","","0.028","0.0269","","","0.0694","0.0705","","","","","","1.027","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115925","10.2923","0.0005","10.9894","0.0005","11.0415","0.0005","62.35","0.002","71.634","0.002","88.285","0.002","1039.8","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N3 O -","- C26 H23 N3 O -","- C52 H46 N6 O2 -","2","1","","Yamuna Ariyarathna; Jon A. Tunge","Multicomponent decarboxylative allylations","Chem.Commun.","2014","50","","14049","","10.1039/C4cc07253G","","","1.54178","CuKα","","0.036","0.0326","","","0.0813","0.0834","","","","","","1.037","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115926","7.8956","0.0004","9.6557","0.0003","14.916","0.0006","77.311","0.003","81.835","0.004","86.214","0.003","1097.43","0.08","175","","175","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H66 N4 O16 S4 -","- C36 H66 N4 O16 S4 -","- C36 H66 N4 O16 S4 -","1","0.5","","Dan Dumitrescu; Yves-Marie Legrand; Eddy Petit; Arie van der Lee; Mihail Barboiu","Progressive compression of 1,omega-diammonium-alkanes inside a rigid crystalline molecular cage","Chem.Commun.","2014","50","","14086","","10.1039/C4cc03866E","","","0.71073","MoKα","","0.0529","0.0437","","0.0532","0.0483","0.0483","","","","","","1.0944","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115927","9.7336","0.0008","9.7556","0.0008","10.194","0.0007","95.207","0.006","95.926","0.006","95.224","0.007","953.91","0.13","175","","175","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H48 N8 O14 S4 -","- C28 H48 N8 O14 S4 -","- C28 H48 N8 O14 S4 -","1","0.5","","Dan Dumitrescu; Yves-Marie Legrand; Eddy Petit; Arie van der Lee; Mihail Barboiu","Progressive compression of 1,omega-diammonium-alkanes inside a rigid crystalline molecular cage","Chem.Commun.","2014","50","","14086","","10.1039/C4cc03866E","","","0.71073","MoKα","","0.0426","0.0353","","0.0343","0.0299","0.0299","","","","","","0.9998","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115928","9.8126","0.0004","10.2605","0.0004","19.4731","0.0007","96.737","0.003","95.763","0.003","94.085","0.003","1930.37","0.13","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H50 N8 O14 S4 -","- C29 H50 N8 O14 S4 -","- C58 H100 N16 O28 S8 -","2","1","","Dan Dumitrescu; Yves-Marie Legrand; Eddy Petit; Arie van der Lee; Mihail Barboiu","Progressive compression of 1,omega-diammonium-alkanes inside a rigid crystalline molecular cage","Chem.Commun.","2014","50","","14086","","10.1039/C4cc03866E","","","0.71073","MoKα","","0.0587","0.0418","","0.0591","0.0489","0.0489","","","","","","0.9891","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115929","9.8826","0.0004","10.2939","0.0004","9.8156","0.0004","96.289","0.003","95.622","0.003","94.839","0.003","983.19","0.07","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H50 N8 O14 S4 -","- C29 H50 N8 O14 S4 -","- C29 H50 N8 O14 S4 -","1","0.5","","Dan Dumitrescu; Yves-Marie Legrand; Eddy Petit; Arie van der Lee; Mihail Barboiu","Progressive compression of 1,omega-diammonium-alkanes inside a rigid crystalline molecular cage","Chem.Commun.","2014","50","","14086","","10.1039/C4cc03866E","","","0.71073","MoKα","","0.067","0.0479","","0.0632","0.0539","0.0539","","","","","","1.0233","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115930","9.7985","0.0003","9.8928","0.0003","10.2589","0.0004","94.489","0.003","97.927","0.003","95.09","0.003","976.92","0.06","175","","175","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 N8 O14 S4 -","- C30 H52 N8 O14 S4 -","- C30 H52 N8 O14 S4 -","1","0.5","","Dan Dumitrescu; Yves-Marie Legrand; Eddy Petit; Arie van der Lee; Mihail Barboiu","Progressive compression of 1,omega-diammonium-alkanes inside a rigid crystalline molecular cage","Chem.Commun.","2014","50","","14086","","10.1039/C4cc03866E","","","0.71073","MoKα","","0.047","0.0404","","0.0562","0.0494","0.0494","","","","","","1.0533","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115931","8.088","0.005","12.766","0.005","19.413","0.005","90","0.005","90","0.005","90","0.005","2004.4","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C76 H96 N8 O16 -","4","1","","Hong, Xiaohu; Wang, Hao; Liu, Bingxin; Xu, Bin","Ruthenium-catalyzed double-fold C‒H tertiary alkoxycarbonylation of arenes using di-tert-butyl dicarbonate","Chemical Communications (Cambridge, United Kingdom)","2014","50","91","14129","14132","10.1039/c4cc05173d","","","0.71073","MoKα","","0.0641","0.0427","","","0.1112","0.1248","","","","","","1.022","","","","has coordinates","211015","2020-10-21","18:00:00",""
"7115932","9.326","0.002","9.491","0.002","20.374","0.007","91.17","0.03","103.492","0.011","115.22","0.02","1571.7","0.8","100","2","103","","","","","","","","","3","P -1","-P 1","2","","1,6 DAP-TP","","- C84 H54 Cl8 -","- C84 H54 Cl8 -","- C84 H54 Cl8 -","1","0.5","","Jaehyun Lee; Beomjin Kim; Ji Eon Kwon; Joonghan Kim; Daisuke Yokoyama; Katsuaki Suzuki; Hidetaka Nishimura; Atsushi Wakamiya; Soo Young Park; Jongwook Park","Excimer formation in organic emitter films associated with a molecular orientation promoted by steric hindrance","Chem.Commun.","2014","50","","14145","","10.1039/C4cc05348F","","","0.85","synchrotron","","0.1316","0.082","","","0.196","0.2266","","","","","","0.813","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115933","18.058","0.004","18.058","0.004","14.612","0.003","90","","90","","120","","4126.5","1.5","296","2","296","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C25 H21 B2 F8 N6 Ni -","- C25 H21 B2 F8.33333 N6 Ni -","- C150 H126 B12 F50 N36 Ni6 -","6","0.5","","Peili Zhang; Mei Wang; Yong Yang; Dehua Zheng; Kai Han; Licheng Sun","Highly efficient molecular nickel catalysts for electrochemical hydrogen production from neutral water","Chem.Commun.","2014","50","","14153","","10.1039/C4cc05511J","","","0.71073","MoKα","","0.091","0.0594","","","0.1617","0.1834","","","","","","1.023","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7115934","11.0812","0.0005","23.7229","0.0011","13.0438","0.0006","90","","113.471","0.002","90","","3145.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 B2 F8 N6 Ni O0 -","- C29 H29 B2 F8 N6 Ni -","- C116 H116 B8 F32 N24 Ni4 -","4","1","","Peili Zhang; Mei Wang; Yong Yang; Dehua Zheng; Kai Han; Licheng Sun","Highly efficient molecular nickel catalysts for electrochemical hydrogen production from neutral water","Chem.Commun.","2014","50","","14153","","10.1039/C4cc05511J","","","0.71073","MoKα","","0.0806","0.0682","","","0.2118","0.2223","","","","","","1.102","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115935","10.5139","0.0012","14.6832","0.0017","40.182","0.005","90","","90","","90","","6203.2","1.3","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C27 H29 B2 F8 N5 Ni O2 -","- C27 H33 B2 F8 N5 Ni O2 -","- C216 H264 B16 F64 N40 Ni8 O16 -","8","1","","Peili Zhang; Mei Wang; Yong Yang; Dehua Zheng; Kai Han; Licheng Sun","Highly efficient molecular nickel catalysts for electrochemical hydrogen production from neutral water","Chem.Commun.","2014","50","","14153","","10.1039/C4cc05511J","","","0.71073","MoKα","","0.0942","0.0627","","","0.1695","0.1905","","","","","","1.024","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115936","10.3663","0.0012","28.64","0.004","16.685","0.002","90","","107.34","0.007","90","","4728.5","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H46 B2 F8 N8 Ni -","- C44.5 H40 B2 F8 N8 Ni -","- C178 H160 B8 F32 N32 Ni4 -","4","1","","Peili Zhang; Mei Wang; Yong Yang; Dehua Zheng; Kai Han; Licheng Sun","Highly efficient molecular nickel catalysts for electrochemical hydrogen production from neutral water","Chem.Commun.","2014","50","","14153","","10.1039/C4cc05511J","","","0.71073","MoKα","","0.1911","0.1197","","","0.3284","0.3766","","","","","","1.119","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115937","9.6393","0.0013","10.6477","0.0014","32.761","0.004","90","","96.789","0.003","90","","3338.9","0.7","123","","123","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 -","- C48 H30 -","- C192 H120 -","4","1","","Baharan Karamzadeh; Thomas Eaton; Izabela Cebula; David Munoz Torres; Markus Neuburger; Marcel Mayor; Manfred Buck","Bestowing structure upon the pores of a supramolecular network","Chem.Commun.","2014","50","","14175","","10.1039/C4cc05934D","","","0.71073","MoKα","","0.0736","0.0524","","0.0976","0.0542","0.0479","","","","","","1.1097","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115938","5.7067","0.0001","13.4355","0.0002","20.825","0.0003","90","","90","","90","","1596.7","0.04","228","2","228","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Cl N O3 -","- C19 H14 Cl N O3 -","- C76 H56 Cl4 N4 O12 -","4","1","","Tao Liang; Guilong Li; Lukasz Wojtas; Jon C. Antilla","Chiral metal phosphate catalysis: highly asymmetric hetero-Diels-Alder reactions","Chem.Commun.","2014","50","","14187","","10.1039/C4cc06520D","","","1.54178","CuKα","","0.0293","0.0281","","","0.0726","0.0736","","","","","","1.047","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115939","8.2594","0.0003","13.6877","0.0005","32.5308","0.0011","90","","90.29","0.002","90","","3677.6","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H74 Ca O15 P2 -","- C86 H73 Ca O15 P2 -","- C172 H146 Ca2 O30 P4 -","2","1","","Tao Liang; Guilong Li; Lukasz Wojtas; Jon C. Antilla","Chiral metal phosphate catalysis: highly asymmetric hetero-Diels-Alder reactions","Chem.Commun.","2014","50","","14187","","10.1039/C4cc06520D","","","1.54178","CuKα","","0.0908","0.0756","","","0.1641","0.1736","","","","","","1.055","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115940","5.7366","0.0013","10.553","0.002","30.046","0.007","90","","90","","90","","1818.9","0.7","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Liman Kong; Xiaoyu Han; Peng Jiao","Catalytic asymmetric Diels-Alder reactions involving aryl vinyl ketones","Chem.Commun.","2014","50","","14113","","10.1039/C4cc06837H","","","0.71073","MoKα","","0.0395","0.0377","","","0.0913","0.0925","","","","","","1.071","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115941","25.945","","25.945","","25.945","","90","","90","","90","","17464.7","","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C60 H60 Br2 N4 Ni -","- C60 H60 Br2 N4 Ni -","- C720 H720 Br24 N48 Ni12 -","12","0.25","","Ru-Jen Cheng; Chiao-Han Ting; Ten-Chih Chao; Tzu-Hsien Tseng; Peter P.-Y. Chen","The characterization of the saddle shaped nickel(III) porphyrin radical cation: an explicative NMR model for a ferromagnetically coupled metallo-porphyrin radical","Chem.Commun.","2014","50","","14265","","10.1039/C4cc06993E","","x-ray","0.71073","MoKα","","0.1731","0.101","","","0.2663","0.2819","","","","","","0.976","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115942","26.4497","0.001","26.4497","0.001","26.4497","0.001","90","","90","","90","","18503.9","1.2","150","","150","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","rjc20m","","","- C64 H68 Br2 N4 Ni -","- C64 H68 Br2 N4 Ni -","- C768 H816 Br24 N48 Ni12 -","12","0.25","","Ru-Jen Cheng; Chiao-Han Ting; Ten-Chih Chao; Tzu-Hsien Tseng; Peter P.-Y. Chen","The characterization of the saddle shaped nickel(III) porphyrin radical cation: an explicative NMR model for a ferromagnetically coupled metallo-porphyrin radical","Chem.Commun.","2014","50","","14265","","10.1039/C4cc06993E","","","0.71073","MoKα","","0.0591","0.0461","","","0.1272","0.1342","","","","","","0.898","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115943","14.7299","0.0004","21.2699","0.0005","25.8105","0.0005","111.285","0.002","92.8643","0.0017","93.898","0.002","7493.2","0.3","99.97","0.1","99.97","0.1","","","","","","","","4","P -1","-P 1","2","Green","","","- C72 H162 Au30 S19 -","- C72 H162 Au30 S19 -","- C144 H324 Au60 S38 -","2","1","","Huayan Yang; Yu Wang; Alison J. Edwards; Juanzhu Yan; Nanfeng Zheng","High-yield synthesis and crystal structure of a green Au30 cluster co-capped by thiolate and sulfide","Chem.Commun.","2014","50","","14325","","10.1039/C4cc01773K","","","1.5418","CuKα","","0.1108","0.0876","","","0.2337","0.2613","","","","","","1.014","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7115944","22.481","0.005","12.174","0.002","20.069","0.004","90","","90","","90","","5492.6","1.9","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","SiR","","","- C30 H36 N2 O2 Si -","- C30 H36 N2 O2 Si -","- C240 H288 N16 O16 Si8 -","8","2","","Wang, Baogang; Chai, Xiaoyun; Zhu, Weiwei; Wang, Ting; Wu, Qiuye","A general approach to spirolactonized Si-rhodamines","Chemical Communications (Cambridge, United Kingdom)","2014","50","92","14374","14377","10.1039/c4cc06178k","","","0.71073","MoKα","","0.0896","0.0456","","","0.0837","0.0938","","","","","","0.849","","","","has coordinates","210742","2020-10-21","18:00:00",""
"7115945","9.8294","0.0019","10.05","0.0019","12.169","0.002","114.273","0.001","97.114","0.002","105.645","0.001","1016.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Cl2 N O3 -","- C23 H17 Cl2 N O3 -","- C46 H34 Cl4 N2 O6 -","2","1","","Yu Zhang; Ling Pan; Yunjia Zou; Xianxiu Xu; Qun Liu","Double oxidation of alpha-(alkylideneamino)nitriles to imides by molecular oxygen under mild basic conditions","Chem.Commun.","2014","50","","14334","","10.1039/C4cc06481J","","","0.71073","MoKα","","0.06","0.0455","","","0.1065","0.1147","","","","","","1.022","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115947","9.379","0.0004","10.013","0.0003","10.318","0.0004","100.148","0.003","91.407","0.003","107.941","0.003","904.22","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H8 O8 Pb2 -","- C20 H8 O8 Pb2 -","- C40 H16 O16 Pb4 -","2","1","","Jane V. Knichal; William J. Gee; Andrew D. Burrows; Paul R. Raithby; Simon J. Teat; Chick C. Wilson","A facile single crystal to single crystal transition with significant structural contraction on desolvation","Chem.Commun.","2014","50","","14436","","10.1039/C4cc06587E","","","0.7749","synchrotron","","0.0987","0.0505","","","0.1064","0.1203","","","","","","1.016","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115948","9.988","0.002","17.698","0.004","12.489","0.003","90","","95.59","0.03","90","","2197.2","0.9","149.9","0.2","149.9","0.2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C44 H30 O19 Pb4 -","- C44 H30 O19 Pb4 -","- C88 H60 O38 Pb8 -","2","0.5","","Jane V. Knichal; William J. Gee; Andrew D. Burrows; Paul R. Raithby; Simon J. Teat; Chick C. Wilson","A facile single crystal to single crystal transition with significant structural contraction on desolvation","Chem.Commun.","2014","50","","14436","","10.1039/C4cc06587E","","","0.71073","MoKα","","0.0594","0.0479","","","0.0846","0.0908","","","","","","1.031","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115949","10.037","0.002","17.698","0.004","12.687","0.003","90","","96.75","0.03","90","","2238","0.9","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H18 O11 Pb2 -","- C22 H18 O11 Pb2 -","- C88 H72 O44 Pb8 -","4","0.5","","Jane V. Knichal; William J. Gee; Andrew D. Burrows; Paul R. Raithby; Simon J. Teat; Chick C. Wilson","A facile single crystal to single crystal transition with significant structural contraction on desolvation","Chem.Commun.","2014","50","","14436","","10.1039/C4cc06587E","","","0.71073","MoKα","","0.0581","0.0405","","","0.0872","0.0962","","","","","","1.008","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115950","18.6935","0.0007","18.6935","0.0007","38.3901","0.0012","90","","90","","120","","11618","0.7","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C24 H8 Cu2 O14 -","- C24 H8 Cu2 O14 -","- C216 H72 Cu18 O126 -","9","0.25","","Qi Zhang; Jiancan Yu; Jianfeng Cai; Ruijing Song; Yuanjing Cui; Yu Yang; Banglin Chen; Guodong Qian","A porous metal-organic framework with -COOH groups for highly efficient pollutant removal","Chem.Commun.","2014","50","","14455","","10.1039/C4cc06648K","","","0.71073","MoKα","","0.0717","0.0494","","","0.1768","0.194","","","","","","1.079","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115951","5.5798","0.0014","15.675","0.004","19.082","0.005","90","","90","","90","","1669","0.7","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O2 -","- C19 H17 Br O2 -","- C76 H68 Br4 O8 -","4","1","","De-Yang Zhang; Fu-Lin Zhu; Ya-Hui Wang; Xin-Hu Hu; Song Chen; Chuan-Jin Hou; Xiang-Ping Hu","Highly diastereo- and enantioselective copper-catalyzed propargylic alkylation of acyclic ketone enamines for the construction of two vicinal stereocenters","Chem.Commun.","2014","50","","14459","","10.1039/C4cc06863G","","","0.71073","MoKα","","0.0542","0.0483","","","0.1008","0.1048","","","","","","1.121","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115952","12.0921","0.0005","12.0539","0.0005","18.6826","0.0008","90","","100.115","0.004","90","","2680.8","0.2","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H52 Br2 N2 O14 -","- C54 H52 Br2 N2 O14 -","- C108 H104 Br4 N4 O28 -","2","1","","Jing Zhou; Qi-Lin Wang; Lin Peng; Fang Tian; Xiao-Ying Xu; Li-Xin Wang","An organocatalytic domino Michael-alkylation reaction: highly enantioselective construction of spiro-cyclopentanoneoxindoles and tetronic acid scaffolds","Chem.Commun.","2014","50","","14601","","10.1039/C4cc05207B","","","0.71073","MoKα","","0.1458","0.0658","","","0.1455","0.1806","","","","","","1.002","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115953","10.766","0.0007","8.7896","0.0005","13.4136","0.0009","90","","108.706","0.007","90","","1202.26","0.14","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Cl N O6 -","- C25 H26 Cl N O6 -","- C50 H52 Cl2 N2 O12 -","2","1","","Jing Zhou; Qi-Lin Wang; Lin Peng; Fang Tian; Xiao-Ying Xu; Li-Xin Wang","An organocatalytic domino Michael-alkylation reaction: highly enantioselective construction of spiro-cyclopentanoneoxindoles and tetronic acid scaffolds","Chem.Commun.","2014","50","","14601","","10.1039/C4cc05207B","","","0.71073","MoKα","","0.0963","0.0615","","","0.1314","0.1532","","","","","","1.034","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115954","11.3412","0.0005","11.5546","0.0005","12.4448","0.0006","71.684","0.004","69.151","0.004","79.227","0.004","1441.62","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","fac-bromo-tricarbonyl-((4-phenyl-6-(1,3-dihydroxybenzen-2-yl)-2,2'-bipyridine)-manganese. Et2O","","- C4.14 H3.71 Br0.14 Mn0.14 N0.29 O0.86 -","- C4.14286 H3.71429 Br0.142857 Mn0.142857 N0.285714 O0.857143 -","- C58 H52 Br2 Mn2 N4 O12 -","14","7","","Federico Franco; Claudio Cometto; Federico Ferrero Vallana; Fabrizio Sordello; Emanuele Priola; Claudio Minero; Carlo Nervi; Roberto Gobetto","A local proton source in a [Mn(bpy-R)(CO)3Br]-type redox catalyst enables CO2 reduction even in the absence of Bronsted acids","Chem.Commun.","2014","50","","14670","","10.1039/C4cc05563B","","","0.71073","MoKα","","0.048","0.0413","","","0.1052","0.1104","","","","","","1.037","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115955","12.2645","0.0018","18","0.003","22.276","0.003","90","","94.009","0.002","90","","4905.6","1.3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H84 Cu2 Ge2 N30 O79 Sn2 W18 -","- C16 H68 Cu2 Ge2 N30 O79 Sn2 W18 -","- C32 H136 Cu4 Ge4 N60 O158 Sn4 W36 -","2","0.5","","Xiao-Jing Sang; Jian-Sheng Li; Lan-Cui Zhang; Zai-Ming Zhu; Wei-Lin Chen; Guang Li; Zhong-Min Su; En-Bo Wang","Two carboxyethyltin functionalized polyoxometalates for assembly on carbon nanotubes as efficient counter electrode materials in dye-sensitized solar cells","Chem.Commun.","2014","50","","14678","","10.1039/C4cc06211F","","","0.71073","MoKα","","0.0405","0.0292","","","0.0659","0.0704","","","","","","1.035","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115956","12.43","0.008","18.096","0.012","25.144","0.013","90","","115.63","0.02","90","","5099","5","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H86 Co2 Ge2 N30 O80 Sn2 W18 -","- C16 H68 Co2 Ge2 N30 O80 Sn2 W18 -","- C32 H136 Co4 Ge4 N60 O160 Sn4 W36 -","2","0.5","","Xiao-Jing Sang; Jian-Sheng Li; Lan-Cui Zhang; Zai-Ming Zhu; Wei-Lin Chen; Guang Li; Zhong-Min Su; En-Bo Wang","Two carboxyethyltin functionalized polyoxometalates for assembly on carbon nanotubes as efficient counter electrode materials in dye-sensitized solar cells","Chem.Commun.","2014","50","","14678","","10.1039/C4cc06211F","","","0.71073","MoKα","","0.1116","0.0688","","","0.1682","0.1942","","","","","","1.066","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115957","17.201","0.006","15.424","0.004","19.135","0.007","90","","111.208","0.005","90","","4733","3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H22 F20 N4 O S2 -","- C56 H22 F20 N4 O S2 -","- C224 H88 F80 N16 O4 S8 -","4","1","","Jiaying Yan; Makoto Takakusaki; Yufeng Yang; Shigeki Mori; Bao Zhang; Yaqing Feng; Masatoshi Ishida; Hiroyuki Furuta","Doubly N-confused isophlorin: synthesis, structure and copper coordination","Chem.Commun.","2014","50","","14593","","10.1039/C4cc06259K","","","0.71075","MoKα","","0.1507","0.082","","","0.1922","0.2284","","","","","","1.073","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115958","11.9072","0.0002","25.4953","0.0005","24.165","0.0004","90","","99.372","0.007","90","","7238","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H18 F20 N4 S2 -","- C56 H18 F20 N4 S2 -","- C336 H108 F120 N24 S12 -","6","1.5","","Jiaying Yan; Makoto Takakusaki; Yufeng Yang; Shigeki Mori; Bao Zhang; Yaqing Feng; Masatoshi Ishida; Hiroyuki Furuta","Doubly N-confused isophlorin: synthesis, structure and copper coordination","Chem.Commun.","2014","50","","14593","","10.1039/C4cc06259K","","","1.54187","CuKα","","0.0552","0.0432","","","0.1063","0.1138","","","","","","1.031","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115959","31.3073","0.0006","21.1481","0.0004","16.0579","0.0003","90","","90","","90","","10631.8","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H19 Cl4 Cu F20 N4 S2 -","- C57.998 H18.996 Cl3.996 Cu F20 N4 S2 -","- C463.984 H151.968 Cl31.968 Cu8 F160 N32 S16 -","8","1","","Jiaying Yan; Makoto Takakusaki; Yufeng Yang; Shigeki Mori; Bao Zhang; Yaqing Feng; Masatoshi Ishida; Hiroyuki Furuta","Doubly N-confused isophlorin: synthesis, structure and copper coordination","Chem.Commun.","2014","50","","14593","","10.1039/C4cc06259K","","","1.54187","CuKα","","0.0728","0.0665","","","0.1911","0.1965","","","","","","1.057","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115960","18.569","0.003","18.569","0.003","40.907","0.008","90","","90","","120","","12215","4","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H8 Cu N2 O6 -","- C14 H8 Cu N2 O6 -","- C252 H144 Cu18 N36 O108 -","18","1","","Ying Xiong; Yan-Zhong Fan; Rui Yang; Sha Chen; Mei Pan; Ji-Jun Jiang; Cheng-Yong Su","Amide and N-oxide functionalization of T-shaped ligands for isoreticular MOFs with giant enhancements in CO2 separation","Chem.Commun.","2014","50","","14631","","10.1039/C4cc06697A","","","1.54178","CuKα","","0.1096","0.0761","","","0.2375","0.2652","","","","","","0.999","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115961","18.9171","0.0015","18.9171","0.0015","37.995","0.005","90","","90","","120","","11775","2","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H8 Cu N2 O5 -","- C14 H8 Cu N2 O5 -","- C252 H144 Cu18 N36 O90 -","18","1","","Ying Xiong; Yan-Zhong Fan; Rui Yang; Sha Chen; Mei Pan; Ji-Jun Jiang; Cheng-Yong Su","Amide and N-oxide functionalization of T-shaped ligands for isoreticular MOFs with giant enhancements in CO2 separation","Chem.Commun.","2014","50","","14631","","10.1039/C4cc06697A","","","1.54178","CuKα","","0.1023","0.0895","","","0.2516","0.2704","","","","","","1.039","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115962","32.422","0.002","12.092","0.001","10.021","0.001","90","","106.81","0.01","90","","3760.8","0.6","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C100 Cl22 Sb2 -","- C100 Cl21.998 Sb2.0016 -","- C200 Cl43.996 Sb4.0032 -","2","0.25","","Maria A. Fritz; Erhard Kemnitz; Sergey I. Troyanov","Capturing an unstable C100 fullerene as chloride, C100(1)Cl12, with a nanotubular carbon cage","Chem.Commun.","2014","50","","14577","","10.1039/C4cc06825D","","","0.85507","synchrotron","","0.0702","0.0654","","","0.1667","0.1699","","","","","","1.007","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115963","10.0878","0.0008","29.196","0.002","9.8586","0.0008","90","","119.112","0.002","90","","2536.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F3 N2 -","- C15 H9 F3 N2 -","- C120 H72 F24 N16 -","8","2","","Zhi-Jun Yang; Chuan-Zhuo Liu; Bo-Lun Hu; Chen-Liang Deng; Xing-Guo Zhang","Oxidative tandem nitrosation/cyclization of N-aryl enamines with nitromethane toward 3-(trifluoromethyl)quinoxalines","Chem.Commun.","2014","50","","14554","","10.1039/C4cc07083F","","","0.71073","MoKα","","0.0644","0.0533","","","0.1517","0.159","","","","","","1.035","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115964","20.088","0.004","20.088","0.004","13.191","0.003","90","","90","","90","","5322.9","1.9","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C15 H9 F3 N2 O -","- C15 H9 F3 N2 O -","- C240 H144 F48 N32 O16 -","16","1","","Zhi-Jun Yang; Chuan-Zhuo Liu; Bo-Lun Hu; Chen-Liang Deng; Xing-Guo Zhang","Oxidative tandem nitrosation/cyclization of N-aryl enamines with nitromethane toward 3-(trifluoromethyl)quinoxalines","Chem.Commun.","2014","50","","14554","","10.1039/C4cc07083F","","","0.71073","MoKα","","0.0734","0.0516","","","0.1742","0.2005","","","","","","1.092","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115965","6.0455","0.0005","9.354","0.0008","29.031","0.003","90","","90","","90","","1641.7","0.3","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br Fe N -","- C20 H18 Br Fe N -","- C80 H72 Br4 Fe4 N4 -","4","1","","Meng-Guang Zhou; Wen-Zhao Zhang; Shi-Kai Tian","Direct enantiospecific substitution of primary alpha-aminoalkylferrocenes via Lewis acid-catalyzed C-N bond cleavage","Chem.Commun.","2014","50","","14531","","10.1039/C4cc07196D","","","0.71073","MoKα","","0.0441","0.0362","","","0.0756","0.0801","","","","","","1.055","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115966","6.0146","0.0003","23.0686","0.0008","9.9522","0.0003","90","","96.97","0.004","90","","1370.65","0.09","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Fe N -","- C17 H17 Fe N -","- C68 H68 Fe4 N4 -","4","2","","Meng-Guang Zhou; Wen-Zhao Zhang; Shi-Kai Tian","Direct enantiospecific substitution of primary alpha-aminoalkylferrocenes via Lewis acid-catalyzed C-N bond cleavage","Chem.Commun.","2014","50","","14531","","10.1039/C4cc07196D","","","0.71073","MoKα","","0.0362","0.0303","","","0.0684","0.0719","","","","","","1.042","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115967","5.8706","0.0002","24.6518","0.0007","14.8502","0.0006","90","","90.859","0.003","90","","2148.89","0.13","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H24 Fe O2 -","- C27 H24 Fe O2 -","- C108 H96 Fe4 O8 -","4","2","","Meng-Guang Zhou; Wen-Zhao Zhang; Shi-Kai Tian","Direct enantiospecific substitution of primary alpha-aminoalkylferrocenes via Lewis acid-catalyzed C-N bond cleavage","Chem.Commun.","2014","50","","14531","","10.1039/C4cc07196D","","","0.71073","MoKα","","0.0464","0.0381","","","0.0764","0.0813","","","","","","1.055","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115968","6.0693","0.0003","17.2089","0.0011","19.2688","0.0009","90","","90","","90","","2012.55","0.19","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Fe N -","- C25 H25 Fe N -","- C100 H100 Fe4 N4 -","4","1","","Meng-Guang Zhou; Wen-Zhao Zhang; Shi-Kai Tian","Direct enantiospecific substitution of primary alpha-aminoalkylferrocenes via Lewis acid-catalyzed C-N bond cleavage","Chem.Commun.","2014","50","","14531","","10.1039/C4cc07196D","","","0.71073","MoKα","","0.0586","0.0393","","","0.0791","0.0872","","","","","","1.036","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115969","39.7164","0.0008","39.7164","0.0008","39.7164","0.0008","90","","90","","90","","62648","2","140","2","140","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C216 H96 N48 Ni18 O156 -","- C216 H96 N48 Ni18 O156 -","- C864 H384 N192 Ni72 O624 -","4","0.0208333","","Zhifeng Zhu; Yue-Ling Bai; Liangliang Zhang; Daofeng Sun; Jianhui Fang; Shourong Zhu","Two nanocage anionic metal-organic frameworks with rht topology and {[M(H2O)6]6}12+ charge aggregation for rapid and selective adsorption of cationic dyes","Chem.Commun.","2014","50","","14674","","10.1039/C4cc07365G","","","1.54184","CuKα","","0.0988","0.0826","","","0.2577","0.265","","","","","","1.071","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115970","39.7703","0.0002","39.7703","0.0002","39.7703","0.0002","90","","90","","90","","62903.8","0.5","150","2","150","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C216 H96 Co18 N48 O156 -","- C216 H96 Co18 N48 O156 -","- C864 H384 Co72 N192 O624 -","4","0.0208333","","Zhifeng Zhu; Yue-Ling Bai; Liangliang Zhang; Daofeng Sun; Jianhui Fang; Shourong Zhu","Two nanocage anionic metal-organic frameworks with rht topology and {[M(H2O)6]6}12+ charge aggregation for rapid and selective adsorption of cationic dyes","Chem.Commun.","2014","50","","14674","","10.1039/C4cc07365G","","","0.71073","MoKα","","0.0703","0.0565","","","0.1875","0.192","","","","","","0.971","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115971","11.7082","0.0007","11.7082","0.0007","11.9217","0.0008","90","","90","","120","","1415.3","0.15","296","2","296","2","","","","","","","","4","P 32","P 32","145","","","","- C21 H19 Br O4 -","- C21 H19 Br O4 -","- C63 H57 Br3 O12 -","3","1","","Santigopal Mondal; Santhivardhana Reddy Yetra; Atanu Patra; Sunita S. Kunte; Rajesh G. Gonnade; Akkattu T. Biju","N-Heterocyclic carbene-catalyzed enantioselective synthesis of functionalized cyclopentenes via alpha,beta-unsaturated acyl azoliums","Chem.Commun.","2014","50","","14539","","10.1039/C4cc07433E","","","0.71073","MoKα","","0.0759","0.034","","","0.073","0.0838","","","","","","0.995","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115972","20.454","0.001","7.1698","0.0003","15.6356","0.0008","90","","121.607","0.006","90","","1952.8","0.2","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H22 O8 -","- C20 H22 O8 -","- C80 H88 O32 -","4","1","","Santigopal Mondal; Santhivardhana Reddy Yetra; Atanu Patra; Sunita S. Kunte; Rajesh G. Gonnade; Akkattu T. Biju","N-Heterocyclic carbene-catalyzed enantioselective synthesis of functionalized cyclopentenes via alpha,beta-unsaturated acyl azoliums","Chem.Commun.","2014","50","","14539","","10.1039/C4cc07433E","","","0.71073","MoKα","","0.0722","0.0515","","","0.0972","0.1054","","","","","","1.095","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115973","4.9115","0.0009","5.4216","0.0009","6.187","0.004","99.8","0.03","105.24","0.04","92.078","0.013","156.07","0.11","297.5","0.4","297.5","0.4","","","3300000","","","","","6","P -1","-P 1","2","ε-[CuF2(H2O)2(pyz)]","","","- C4 Cu D8 F2 N2 O2 -","- C4 Cu D8 F2 N2 O2 -","- C4 Cu D8 F2 N2 O2 -","1","0.5","","A. Lanza; C. Fiolka; M. Fisch; N. Casati; M. Skoulatos; C. Ruegg; K. W. Kramer; Piero Macchi","New magnetic frameworks of [(CuF2(H2O)2)x(pyz)]","Chem.Commun.","2014","50","","14504","","10.1039/C4cc06696K","","","0.71073","MoKα","","0.0567","0.0556","","","0.1429","0.1441","","","","","","1.1","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115974","21.1341","0.0004","7.553","0.0001","6.881","0.0001","90","","100.331","0.002","90","","1080.58","0.03","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 Cu D6 F2 N O2 -","- C2 Cu D6 F2 N O2 -","- C16 Cu8 D48 F16 N8 O16 -","8","1","","A. Lanza; C. Fiolka; M. Fisch; N. Casati; M. Skoulatos; C. Ruegg; K. W. Kramer; Piero Macchi","New magnetic frameworks of [(CuF2(H2O)2)x(pyz)]","Chem.Commun.","2014","50","","14504","","10.1039/C4cc06696K","","","0.71073","MoKα","","0.0265","0.0191","","","0.0583","0.0654","","","","","","1.1","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115975","9.0326","0.0008","9.2075","0.0012","17.277","0.002","102.916","0.011","91.393","0.009","111.202","0.01","1297","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H40 Mn3 O12 -","- C20 H40 Mn3 O12 -","- C40 H80 Mn6 O24 -","2","1","","Constantina Papatriantafyllopoulou; Sotiris Zartilas; Manolis J. Manos; Celine Pichon; Rodolphe Clerac; Anastasios J. Tasiopoulos","A single-chain magnet based on linear [MnIII2MnII] units","Chem.Commun.","2014","50","","14873","","10.1039/C4cc05687F","","","1.54184","CuKα","","0.0695","0.0476","","","0.1223","0.141","","","","","","1.041","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115976","9.958","0.002","14.937","0.003","14.131","0.003","90","","106.072","0.003","90","","2019.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 F3 N O S2 -","- C22 H18 F3 N O S2 -","- C88 H72 F12 N4 O4 S8 -","4","1","","Jinhuan Dong; Ling Pan; Xianxiu Xu; Qun Liu","Alpha-Trifluoromethyl-(indol-3-yl)methanols as trifluoromethylated C3 1,3-dipoles: [3+2] cycloaddition for the synthesis of 1-(trifluoromethyl)-cyclopenta[b]indole alkaloids","Chem.Commun.","2014","50","","14797","","10.1039/C4cc05895J","","","0.71073","MoKα","","0.0688","0.0497","","","0.1222","0.1342","","","","","","1.021","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115978","8.9006","0.0005","16.8997","0.0009","17.3802","0.001","90","","90","","90","","2614.3","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Br N3 O4 S2 -","- C25 H23 Br N3 O4 S2 -","- C100 H92 Br4 N12 O16 S8 -","4","1","","Hao Cai; Yu Zhou; Dong Zhang; Jinyi Xu; Hong Liu","A Mannich/cyclization cascade process for the asymmetric synthesis of spirocyclic thioimidazolidineoxindoles","Chem.Commun.","2014","50","","14771","","10.1039/C4cc06000H","","","0.71073","MoKα","","0.1076","0.0435","","","0.0629","0.0724","","","","","","1.152","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115979","7.86237","0.00014","8.12348","0.00015","13.2849","0.0002","75.63","0.005","74.174","0.005","70.759","0.005","758.94","0.04","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O8 -","- C15 H15 N O8 -","- C30 H30 N2 O16 -","2","1","","Pandurang V. Chouthaiwale; Fujie Tanaka","Reactions of pyruvates: organocatalytic synthesis of functionalized dihydropyrans in one pot and further transformations to functionalized carbocycles and heterocycles","Chem.Commun.","2014","50","","14881","","10.1039/C4cc06035K","","","1.54187","CuKα","","","0.0463","","","","0.1275","","","","","","1.079","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115980","5.3668","0.00016","9.7102","0.0003","19.0151","0.0006","85.986","0.006","84.364","0.006","83.867","0.006","978.72","0.05","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O10 -","- C18 H22 N2 O10 -","- C36 H44 N4 O20 -","2","1","","Pandurang V. Chouthaiwale; Fujie Tanaka","Reactions of pyruvates: organocatalytic synthesis of functionalized dihydropyrans in one pot and further transformations to functionalized carbocycles and heterocycles","Chem.Commun.","2014","50","","14881","","10.1039/C4cc06035K","","","1.54187","CuKα","","","0.0575","","","","0.1709","","","","","","1.094","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115981","60.6741","0.0015","60.6741","","5.12775","0.00027","90","","90","","120","","16348","1","298","","298","","","","","","","","","5","R -3 :H","-R 3","148","","UPG-1","","- C48 N6 O28 P6 Zr -","- C48 N6 O28 P6 Zr -","- C432 N54 O252 P54 Zr9 -","9","0.5","","Marco Taddei; Ferdinando Costantino; Fabio Marmottini; Angiolina Comotti; Piero Sozzani; Riccardo Vivani","The first route to highly stable crystalline microporous zirconium phosphonate metal-organic frameworks","Chem.Commun.","2014","50","","14831","","10.1039/C4cc06223J","powder diffraction","x-ray","1.5406","Kα","","","","","","","","0.10976","","5.17","","","","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115982","15.2249","0.0003","21.1556","0.0004","21.2628","0.0004","90","","95.504","0.001","90","","6817","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H64 Ce Li N4 O -","- C28 H64 Ce Li N4 O -","- C224 H512 Ce8 Li8 N32 O8 -","8","2","","David Schneider; Tatiana Spallek; Cacilia Maichle-Mossmer; Karl W. Tornroos; Reiner Anwander","Cerium tetrakis(diisopropylamide) ‒ a useful precursor for cerium(IV) chemistry","Chem.Commun.","2014","50","","14763","","10.1039/C4cc06228K","","","0.71073","MoKα","","0.0288","0.0227","","","0.0562","0.0592","","","","","","1.044","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115983","18.369","0.013","9.706","0.007","17.704","0.01","90","","108.44","0.02","90","","2994","3","160","2","160","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cerium tetrakis(diisopropylamide)","","- C24 H56 Ce N4 -","- C24 H56 Ce N4 -","- C96 H224 Ce4 N16 -","4","0.5","","David Schneider; Tatiana Spallek; Cacilia Maichle-Mossmer; Karl W. Tornroos; Reiner Anwander","Cerium tetrakis(diisopropylamide) ‒ a useful precursor for cerium(IV) chemistry","Chem.Commun.","2014","50","","14763","","10.1039/C4cc06228K","","","0.71073","MoKα","","0.0671","0.0656","","","0.1503","0.1512","","","","","","1.255","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115984","22.6938","0.0004","11.3429","0.0002","23.418","0.0004","90","","107.802","0.001","90","","5739.48","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H96 Ce2 N24 -","- C40 H96 Ce2 N24 -","- C160 H384 Ce8 N96 -","4","1","","David Schneider; Tatiana Spallek; Cacilia Maichle-Mossmer; Karl W. Tornroos; Reiner Anwander","Cerium tetrakis(diisopropylamide) ‒ a useful precursor for cerium(IV) chemistry","Chem.Commun.","2014","50","","14763","","10.1039/C4cc06228K","","","0.71073","MoKα","","0.0544","0.033","","","0.0589","0.0648","","","","","","1.002","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115985","21.051","0.004","28.357","0.006","13.136","0.003","90","","90","","90","","7841","3","296","2","296","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C27 H25 Br Cl N5 O6 S -","- C27 H25 Br Cl N5 O6 S -","- C216 H200 Br8 Cl8 N40 O48 S8 -","8","1","","Qi-Liang Yang; Ming-Sheng Xie; Chao Xia; Huan-Li Sun; Dan-Jie Zhang; Ke-Xin Huang; Zhen Guo; Gui-Rong Qu; Hai-Ming Guo","A rapid and divergent access to chiral azacyclic nucleoside analogues via highly enantioselective 1,3-dipolar cycloaddition of beta-nucleobase substituted acrylates","Chem.Commun.","2014","50","","14809","","10.1039/C4cc06632D","","","0.71073","MoKα","","0.1032","0.0508","","","0.0931","0.1028","","","","","","1.014","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115986","10.0474","0.0009","16.584","0.0014","13.7955","0.0012","90","","105.968","0.002","90","","2210","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O4 S2 -","- C22 H19 N3 O4 S2 -","- C88 H76 N12 O16 S8 -","4","1","","Jiang-Kai Qiu; Wen-Juan Hao; De-Cai Wang; Ping Wei; Jun Sun; Bo Jiang; Shu-Jiang Tu","Selective sulfonylation and diazotization of indoles","Chem.Commun.","2014","50","","14782","","10.1039/C4cc06795A","","","0.71073","MoKα","","0.1663","0.063","","","0.0877","0.1054","","","","","","0.894","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115987","7.1","0.0008","9.2299","0.0011","12.3601","0.0013","94.18","0.001","104.161","0.002","111.952","0.003","716.16","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N3 O2 S -","- C15 H13 N3 O2 S -","- C30 H26 N6 O4 S2 -","2","1","","Jiang-Kai Qiu; Wen-Juan Hao; De-Cai Wang; Ping Wei; Jun Sun; Bo Jiang; Shu-Jiang Tu","Selective sulfonylation and diazotization of indoles","Chem.Commun.","2014","50","","14782","","10.1039/C4cc06795A","","","0.71073","MoKα","","0.2827","0.1337","","","0.3089","0.3498","","","","","","1.06","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115988","11.5935","0.0014","12.8808","0.0017","14.3137","0.0018","80.717","0.006","72.804","0.005","68.413","0.005","1895.4","0.4","193","2","193","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C41 H54 Al Cl P Rh -","- C41 H54 Al Cl P Rh -","- C82 H108 Al2 Cl2 P2 Rh2 -","2","1","","Marc Devillard; Emmanuel Nicolas; Christian Appelt; Jana Backs; Sonia Mallet-Ladeira; Ghenwa; Bouhadir'; J. Chris Slootweg; Werner Uhl; Didier Bourissou","Novel zwitterionic complexes arising from the coordination of an ambiphilic phosphorus-aluminum ligand to gold","Chem.Commun.","2014","50","","14805","","10.1039/C4cc06992G","","x-ray","0.71073","MoKα","","0.0537","0.0353","","","0.0682","0.0754","","","","","","1.039","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115989","10.9029","0.0012","12.1216","0.0013","14.5288","0.0016","91.146","0.003","110.558","0.003","99.71","0.003","1765.6","0.3","193","2","193","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C37 H51 Al Cl P Pd -","- C37 H51 Al Cl P Pd -","- C74 H102 Al2 Cl2 P2 Pd2 -","2","1","","Marc Devillard; Emmanuel Nicolas; Christian Appelt; Jana Backs; Sonia Mallet-Ladeira; Ghenwa; Bouhadir'; J. Chris Slootweg; Werner Uhl; Didier Bourissou","Novel zwitterionic complexes arising from the coordination of an ambiphilic phosphorus-aluminum ligand to gold","Chem.Commun.","2014","50","","14805","","10.1039/C4cc06992G","","x-ray","0.71073","MoKα","","0.0236","0.0222","","","0.0581","0.0594","","","","","","1.084","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115990","9.6291","0.0005","23.6665","0.0012","17.7492","0.0009","90","","97.902","0.002","90","","4006.4","0.4","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 Al Au Cl P2 -","- C40 H58 Al Au Cl P2 -","- C160 H232 Al4 Au4 Cl4 P8 -","4","1","","Marc Devillard; Emmanuel Nicolas; Christian Appelt; Jana Backs; Sonia Mallet-Ladeira; Ghenwa; Bouhadir'; J. Chris Slootweg; Werner Uhl; Didier Bourissou","Novel zwitterionic complexes arising from the coordination of an ambiphilic phosphorus-aluminum ligand to gold","Chem.Commun.","2014","50","","14805","","10.1039/C4cc06992G","","x-ray","0.71073","MoKα","","0.0509","0.0289","","","0.0495","0.055","","","","","","0.998","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115991","11.5952","0.0006","11.6324","0.0007","18.2333","0.0011","100.951","0.002","92.293","0.002","114.534","0.002","2177","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H58 Al Au Cl5 P S -","- C40 H58 Al Au Cl5 P S -","- C80 H116 Al2 Au2 Cl10 P2 S2 -","2","1","","Marc Devillard; Emmanuel Nicolas; Christian Appelt; Jana Backs; Sonia Mallet-Ladeira; Ghenwa; Bouhadir'; J. Chris Slootweg; Werner Uhl; Didier Bourissou","Novel zwitterionic complexes arising from the coordination of an ambiphilic phosphorus-aluminum ligand to gold","Chem.Commun.","2014","50","","14805","","10.1039/C4cc06992G","","","0.71073","MoKα","","0.0248","0.0208","","","0.0508","0.0536","","","","","","1.068","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115992","14.5103","0.0015","14.5103","0.0015","20.196","0.003","90","","90","","90","","4252.2","0.9","173.15","","173.15","","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C60 H100 Dy6 Mo4 N6 O50 -","- C58 H64 Dy6 Mo4 N6 O48 -","- C116 H128 Dy12 Mo8 N12 O96 -","2","","","Yong Zheng; Yin-Yin Pan; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Reversible transformation between chiral and achiral Dy6Mo4 clusters through a symmetric operation","Chem.Commun.","2014","50","","14728","","10.1039/C4cc07047J","","","0.71073","MoKα","","0.0318","0.0304","","","0.0716","0.0724","","","","","","1.169","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115993","21.9687","0.0002","21.9687","0.0002","19.0989","0.0003","90","","90","","120","","7982.66","0.16","133","2","133.15","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C68 H132 Dy6 Mo4 N6 O58 -","- C68 H96 Dy6 Mo4 N6 O40 -","- C204 H288 Dy18 Mo12 N18 O120 -","3","0.5","","Yong Zheng; Yin-Yin Pan; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Reversible transformation between chiral and achiral Dy6Mo4 clusters through a symmetric operation","Chem.Commun.","2014","50","","14728","","10.1039/C4cc07047J","","","0.71073","MoKα","","0.0447","0.0384","","","0.0836","0.0859","","","","","","1.065","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115994","22.0866","0.0014","22.0866","0.0014","19.183","0.003","90","","90","","120","","8104.1","1.5","123","2","123.15","","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C68 H132 Dy6 Mo4 N6 O58 -","- C68 H94 Dy6 Mo4 N6 O40 -","- C204 H282 Dy18 Mo12 N18 O120 -","3","0.5","","Yong Zheng; Yin-Yin Pan; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Reversible transformation between chiral and achiral Dy6Mo4 clusters through a symmetric operation","Chem.Commun.","2014","50","","14728","","10.1039/C4cc07047J","","","0.71073","MoKα","","0.0516","0.049","","","0.1118","0.1129","","","","","","1.137","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115995","21.761","0.003","21.761","0.003","19.354","0.004","90","","90","","120","","7937","2","173","2","173.15","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C65 H120 Gd6 Mo4 N6 O55 -","- C64 H86 Gd6 Mo4 N6 O40 -","- C192 H258 Gd18 Mo12 N18 O120 -","3","0.5","","Yong Zheng; Yin-Yin Pan; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Reversible transformation between chiral and achiral Dy6Mo4 clusters through a symmetric operation","Chem.Commun.","2014","50","","14728","","10.1039/C4cc07047J","","","0.71073","MoKα","","0.14","0.0795","","","0.174","0.1967","","","","","","1.009","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115996","21.9826","0.0006","21.9826","0.0006","19.1459","0.0007","90","","90","","120","","8012.4","0.4","153","2","153","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C65 H120 Dy6 Mo4 N6 O55 -","- C64 H88 Dy6 Mo4 N6 O40 -","- C192 H264 Dy18 Mo12 N18 O120 -","3","0.5","","Yong Zheng; Yin-Yin Pan; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng","Reversible transformation between chiral and achiral Dy6Mo4 clusters through a symmetric operation","Chem.Commun.","2014","50","","14728","","10.1039/C4cc07047J","","","0.71073","MoKα","","0.1247","0.1015","","","0.2123","0.2257","","","","","","1.161","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115997","7.2825","0.0001","14.9699","0.0002","42.2469","0.0008","90","","93.473","0.002","90","","4597.23","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H42 N5 O1.5 -","- C18 H42 N5 O1.5 -","- C144 H336 N40 O12 -","8","2","","Liwei Yan; Guangzhe Li; Zhongbin Ye; Feng Tian; Shihong Zhang","Dual-responsive two-component supramolecular gels for self-healing materials and oil spill recovery","Chem.Commun.","2014","50","","14839","","10.1039/C4cc07509A","","","1.54178","CuKα","","0.0872","0.0757","","","0.2078","0.2185","","","","","","1.072","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7115998","12.4377","0.0003","12.2724","0.0004","21.0852","0.0006","90","","90","","90","","3218.45","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H11 Mn2 N3 S5 Sb2 -","- C6 H11 Mn2 N3 S5 Sb2 -","- C48 H88 Mn16 N24 S40 Sb16 -","8","1","","Kai-Yao Wang; Mei-Ling Feng; Liu-Jiang Zhou; Jian-Rong Li; Xing-Hui Qia; Xiao-Ying Huang","A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components","Chem.Commun.","2014","50","","14960","","10.1039/C4cc06373B","","","0.71073","MoKα","","0.0251","0.0211","","","0.0496","0.0521","","","","","","1.005","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115999","12.4568","0.0003","12.2988","0.0003","21.002","0.0005","90","","90","","90","","3217.58","0.13","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H11 Mn2 N3 S5 Sb2 -","- C6 H11 Mn2 N3 S5 Sb2 -","- C48 H88 Mn16 N24 S40 Sb16 -","8","1","","Kai-Yao Wang; Mei-Ling Feng; Liu-Jiang Zhou; Jian-Rong Li; Xing-Hui Qia; Xiao-Ying Huang","A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components","Chem.Commun.","2014","50","","14960","","10.1039/C4cc06373B","","","0.71073","MoKα","","0.0279","0.023","","","0.0518","0.0551","","","","","","1.006","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7116000","12.492","0.0003","12.3011","0.0004","20.927","0.0006","90","","90","","90","","3215.75","0.16","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H11 Mn2 N3 S5 Sb2 -","- C5.997 H11 Mn2 N3 S5 Sb2 -","- C47.976 H88 Mn16 N24 S40 Sb16 -","8","1","","Kai-Yao Wang; Mei-Ling Feng; Liu-Jiang Zhou; Jian-Rong Li; Xing-Hui Qia; Xiao-Ying Huang","A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components","Chem.Commun.","2014","50","","14960","","10.1039/C4cc06373B","","","0.71073","MoKα","","0.0306","0.0248","","","0.0512","0.0545","","","","","","1.009","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116001","12.5276","0.0004","12.3171","0.0005","20.8638","0.0008","90","","90","","90","","3219.4","0.2","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H11 Mn2 N3 S5 Sb2 -","- C5.997 H11 Mn2 N3 S5 Sb2 -","- C47.976 H88 Mn16 N24 S40 Sb16 -","8","1","","Kai-Yao Wang; Mei-Ling Feng; Liu-Jiang Zhou; Jian-Rong Li; Xing-Hui Qia; Xiao-Ying Huang","A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components","Chem.Commun.","2014","50","","14960","","10.1039/C4cc06373B","","","0.71073","MoKα","","0.0353","0.0271","","","0.0615","0.0672","","","","","","1.004","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116002","12.5694","0.0005","12.3552","0.0005","20.8407","0.0009","90","","90","","90","","3236.5","0.2","323","2","323","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H11 Mn2 N3 S5 Sb2 -","- C5.997 H11 Mn2 N3 S5 Sb2 -","- C47.976 H88 Mn16 N24 S40 Sb16 -","8","1","","Kai-Yao Wang; Mei-Ling Feng; Liu-Jiang Zhou; Jian-Rong Li; Xing-Hui Qia; Xiao-Ying Huang","A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components","Chem.Commun.","2014","50","","14960","","10.1039/C4cc06373B","","","0.71073","MoKα","","0.0373","0.028","","","0.0621","0.0689","","","","","","1.003","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116003","12.5883","0.0005","12.352","0.0005","20.8164","0.0008","90","","90","","90","","3236.8","0.2","373","2","373","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H11 Mn2 N3 S5 Sb2 -","- C5.997 H11 Mn2 N3 S5 Sb2 -","- C47.976 H88 Mn16 N24 S40 Sb16 -","8","1","","Kai-Yao Wang; Mei-Ling Feng; Liu-Jiang Zhou; Jian-Rong Li; Xing-Hui Qia; Xiao-Ying Huang","A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components","Chem.Commun.","2014","50","","14960","","10.1039/C4cc06373B","","","0.71073","MoKα","","0.0425","0.0305","","","0.0667","0.0755","","","","","","1.009","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116004","12.6068","0.0007","12.3619","0.0008","20.8422","0.0013","90","","90","","90","","3248.1","0.3","473","2","473","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H11 Mn2 N3 S5 Sb2 -","- C6 H11 Mn2 N3 S5 Sb2 -","- C48 H88 Mn16 N24 S40 Sb16 -","8","1","","Kai-Yao Wang; Mei-Ling Feng; Liu-Jiang Zhou; Jian-Rong Li; Xing-Hui Qia; Xiao-Ying Huang","A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components","Chem.Commun.","2014","50","","14960","","10.1039/C4cc06373B","","","0.71073","MoKα","","0.0639","0.0441","","","0.1","0.1184","","","","","","1.008","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116005","35.7967","0.0009","8.8766","0.0002","17.1376","0.0004","90","","99.2802","0.0007","90","","5374.2","0.2","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H35 N5 O3 -","- C31 H35 N5 O3 -","- C248 H280 N40 O24 -","8","1","","Keishiro Tahara; Tetsufumi Nakakita; Shohei Katao; Jun-ichi Kikuchi","Organic mixed valency in quadruple hydrogen-bonded triarylamine dimers bearing ureido pyrimidinedione moieties","Chem.Commun.","2014","50","","15071","","10.1039/C4cc06779G","","","0.71075","MoKα","","","0.0679","","","","0.1919","","","","","","1.094","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116006","10.6611","0.0004","10.8302","0.0003","14.7696","0.0004","100.517","0.0007","110.992","0.0007","91.6911","0.0007","1557.01","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H39 N5 O5 -","- C33 H39 N5 O5 -","- C66 H78 N10 O10 -","2","1","","Keishiro Tahara; Tetsufumi Nakakita; Shohei Katao; Jun-ichi Kikuchi","Organic mixed valency in quadruple hydrogen-bonded triarylamine dimers bearing ureido pyrimidinedione moieties","Chem.Commun.","2014","50","","15071","","10.1039/C4cc06779G","","","0.71075","MoKα","","","0.0677","","","","0.1802","","","","","","1.084","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116007","9.5279","0.0012","17.804","0.003","13.7942","0.0018","90","","104.385","0.009","90","","2266.6","0.6","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 F3 O3 P S -","- C25 H18 F3 O3 P S -","- C100 H72 F12 O12 P4 S4 -","4","1","","Suguru Yoshida; Keisuke Uchida; Kazunobu Igawa; Katsuhiko Tomooka; Takamitsu Hosoya","An efficient generation method and remarkable reactivities of 3-triflyloxybenzyne","Chem.Commun.","2014","50","","15059","","10.1039/C4cc07058E","","","1.54187","CuKα","","","0.0316","","","","0.0836","","","","","","0.996","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116008","8.668","0.003","10.397","0.003","10.757","0.003","108.642","0.004","99.276","0.004","101.841","0.005","871.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 I N2 -","- C19 H21 I N2 -","- C38 H42 I2 N4 -","2","1","","Jun Zhang; Gengtao Zhang; Weijie Wu; Xuejun Zhang; Min Shi","Metal-free aminoamidiniumation employing N-iodosuccinimide: facile syntheses of bicyclic imidazolidiniums and cyclic vicinal diamines","Chem.Commun.","2014","50","","15052","","10.1039/C4cc07082H","","","0.71073","MoKα","","0.0431","0.0365","","","0.1143","0.1341","","","","","","1.215","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116009","11.3435","0.0019","12.737","0.002","24.224","0.004","90","","90","","90","","3499.9","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 I N2 -","- C16 H21 I N2 -","- C128 H168 I8 N16 -","8","1","","Jun Zhang; Gengtao Zhang; Weijie Wu; Xuejun Zhang; Min Shi","Metal-free aminoamidiniumation employing N-iodosuccinimide: facile syntheses of bicyclic imidazolidiniums and cyclic vicinal diamines","Chem.Commun.","2014","50","","15052","","10.1039/C4cc07082H","","","0.71073","MoKα","","0.0895","0.0437","","","0.0899","0.1006","","","","","","0.994","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116010","13.894","0.007","15.126","0.007","17.283","0.008","108.209","0.005","97.011","0.006","114.943","0.005","2990","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H35 Cl I N2 O0.5 -","- C33.5 H35 Cl I N2 O0.5 -","- C134 H140 Cl4 I4 N8 O2 -","4","2","","Jun Zhang; Gengtao Zhang; Weijie Wu; Xuejun Zhang; Min Shi","Metal-free aminoamidiniumation employing N-iodosuccinimide: facile syntheses of bicyclic imidazolidiniums and cyclic vicinal diamines","Chem.Commun.","2014","50","","15052","","10.1039/C4cc07082H","","","0.71073","MoKα","","0.0594","0.0449","","","0.1228","0.1305","","","","","","0.99","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7116011","9.621","0.002","14.084","0.004","12.671","0.003","90","","91.151","0.005","90","","1716.6","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H39 I3 N2 -","- C36 H39 I3 N2 -","- C72 H78 I6 N4 -","2","1","","Jun Zhang; Gengtao Zhang; Weijie Wu; Xuejun Zhang; Min Shi","Metal-free aminoamidiniumation employing N-iodosuccinimide: facile syntheses of bicyclic imidazolidiniums and cyclic vicinal diamines","Chem.Commun.","2014","50","","15052","","10.1039/C4cc07082H","","","0.71073","MoKα","","0.0852","0.0775","","","0.2372","0.2449","","","","","","1.048","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116012","6.6862","0.0013","10.542","0.002","23.52","0.005","90","","90","","90","","1657.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 I N2 -","- C18 H19 I N2 -","- C72 H76 I4 N8 -","4","1","","Jun Zhang; Gengtao Zhang; Weijie Wu; Xuejun Zhang; Min Shi","Metal-free aminoamidiniumation employing N-iodosuccinimide: facile syntheses of bicyclic imidazolidiniums and cyclic vicinal diamines","Chem.Commun.","2014","50","","15052","","10.1039/C4cc07082H","","","0.71073","MoKα","","0.0278","0.0243","","","0.0519","0.053","","","","","","1.048","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116013","7.2225","0.0005","8.1395","0.0006","27.359","0.002","90","","91.373","0.002","90","","1607.9","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 S -","- C20 H16 N2 O2 S -","- C80 H64 N8 O8 S4 -","4","1","","Zhiyun Zhang; Yen-Hao Hsu; Yi-An Chen; Chi-Lin Chen; Tzu-Chieh Lin; Jiun-Yi Shen; Pi-Tai Chou","New six- and seven-membered ring pyrrole-pyridine hydrogen bond systems undergoing excited-state intramolecular proton transfer","Chem.Commun.","2014","50","","15026","","10.1039/C4cc07109C","","","0.71073","MoKα","","0.0541","0.0445","","","0.1089","0.1141","","","","","","1.05","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116014","7.2642","0.0008","11.9445","0.0012","15.783","0.0016","90","","98.804","0.003","90","","1353.3","0.2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C76 H64 N8 -","4","1","","Zhiyun Zhang; Yen-Hao Hsu; Yi-An Chen; Chi-Lin Chen; Tzu-Chieh Lin; Jiun-Yi Shen; Pi-Tai Chou","New six- and seven-membered ring pyrrole-pyridine hydrogen bond systems undergoing excited-state intramolecular proton transfer","Chem.Commun.","2014","50","","15026","","10.1039/C4cc07109C","","","0.71073","MoKα","","0.1157","0.0692","","","0.1311","0.1487","","","","","","1.095","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116015","25.9587","0.0013","45.854","0.002","32.6079","0.0017","90","","94.904","0.003","90","","38671","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C271 H223 Cl14 N24 Ni26 O96 -","- C271 H223 Cl14 N24 Ni26 O96 -","- C1084 H892 Cl56 N96 Ni104 O384 -","4","1","","Angeliki A. Athanasopoulou; Melanie Pilkington; Catherine P. Raptopoulou; Albert Escuer; Theocharis C. Stamatatos","Structural aesthetics in molecular nanoscience: a unique Ni26 cluster with a 'rabbit-face' topology and a discrete Ni18 'molecular chain'","Chem.Commun.","2014","50","","14942","","10.1039/C4cc07192A","","","0.71073","MoKα","","0.1328","0.0838","","","0.1875","0.2176","","","","","","1.023","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116016","22.442","0.0019","21.0741","0.0017","52.993","0.005","90","","90.197","0.004","90","","25063","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C210 H211 Cl12 N25 Ni18 O64 -","- C188 H152 Cl10 N14 Ni18 O55 -","- C752 H608 Cl40 N56 Ni72 O220 -","4","0.5","","Angeliki A. Athanasopoulou; Melanie Pilkington; Catherine P. Raptopoulou; Albert Escuer; Theocharis C. Stamatatos","Structural aesthetics in molecular nanoscience: a unique Ni26 cluster with a 'rabbit-face' topology and a discrete Ni18 'molecular chain'","Chem.Commun.","2014","50","","14942","","10.1039/C4cc07192A","","","0.71073","MoKα","","0.123","0.0917","","","0.2066","0.2201","","","","","","1.081","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116017","10.2007","0.0003","26.3327","0.0007","29.1253","0.0008","90","","97.695","0.003","90","","7753","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H99 N9 O48 P6 -","- C51 H45 N9 O46.75 P6 -","- C204 H180 N36 O187 P24 -","4","1","","Nicolas Veiga; Julia Torres; Carla Bazzicalupi; Antonio Bianchi; Carlos Kremer","The copper(II)-phytate-terpyridine ternary system: the first crystal structures showing the interaction of phytate with bivalent metal and ammonium cations","Chem.Commun.","2014","50","","14971","","10.1039/C4cc07226J","","","1.54184","CuKα","","0.1411","0.0741","","","0.1859","0.236","","","","","","1.017","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116018","16.001","0.001","16.367","0.001","17.493","0.001","99.447","0.006","92.632","0.005","103.483","0.005","4377.6","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H101 N9 O56.5 P9 -","- C54 H46.59 N9 O56.6 P9 -","- C108 H93.18 N18 O113.2 P18 -","2","1","","Nicolas Veiga; Julia Torres; Carla Bazzicalupi; Antonio Bianchi; Carlos Kremer","The copper(II)-phytate-terpyridine ternary system: the first crystal structures showing the interaction of phytate with bivalent metal and ammonium cations","Chem.Commun.","2014","50","","14971","","10.1039/C4cc07226J","","","1.54184","CuKα","","0.1875","0.1164","","","0.2995","0.3716","","","","","","1.146","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116019","13.0134","0.0006","14.0376","0.0006","15.1132","0.0008","108.626","0.004","98.79","0.004","95.209","0.004","2556.6","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H51 Cu2 N6 O31.5 P6 -","- C36 H28 Cu2 N6 O31.5 P6 -","- C72 H56 Cu4 N12 O63 P12 -","2","1","","Nicolas Veiga; Julia Torres; Carla Bazzicalupi; Antonio Bianchi; Carlos Kremer","The copper(II)-phytate-terpyridine ternary system: the first crystal structures showing the interaction of phytate with bivalent metal and ammonium cations","Chem.Commun.","2014","50","","14971","","10.1039/C4cc07226J","","","1.54184","CuKα","","0.1029","0.0559","","","0.1367","0.1738","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116020","13.1214","0.0006","14.4167","0.0005","24.5355","0.0009","95.333","0.003","91.597","0.004","96.973","0.004","4583.4","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H105 Cu4 K N12 O50 P6 -","- C66 H50 Cu4 K N12 O50 P6 -","- C132 H100 Cu8 K2 N24 O100 P12 -","2","1","","Nicolas Veiga; Julia Torres; Carla Bazzicalupi; Antonio Bianchi; Carlos Kremer","The copper(II)-phytate-terpyridine ternary system: the first crystal structures showing the interaction of phytate with bivalent metal and ammonium cations","Chem.Commun.","2014","50","","14971","","10.1039/C4cc07226J","","","1.54184","CuKα","","0.1276","0.0806","","","0.2043","0.2434","","","","","","1.064","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116021","22.085","0.009","35.163","0.014","18.194","0.007","90","","90","","90","","14129","10","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","(3,5-di-tBuPh)8TAPMgH2O","Octa-(3,5-di-tert-butylphenyl)-tetraazaporphyrin magnesium monohydrate","","- C128 H168 Mg N8 O -","- C128 H168 Mg N8 O -","- C512 H672 Mg4 N32 O4 -","4","0.5","","Taniyuki Furuyama; Mitsuo Asai; Nagao Kobayashi","Control of absorption properties of tetraazaporphyrin group 15 complexes by modification of their axial ligands","Chem.Commun.","2014","50","","15101","","10.1039/C4cc07408D","","","0.71073","MoKα","","0.2129","0.0967","","","0.2113","0.2546","","","","","","0.898","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116022","29.7005","0.0017","29.7005","0.0017","13.7937","0.0008","90","","90","","120","","10537.5","1","100","2","100","2","","","","","","","no","5","R 3 2 :H","R 3 2""","155","","Fe4-NO2(R)","","- C90 H72 Fe4 N12 O24 -","- C90 H72 Fe4 N12 O24 -","- C270 H216 Fe12 N36 O72 -","3","0.166667","","Yuan-Yuan Zhu; Ting-Ting Yin; Shang-Da Jiang; Anne-Laure Barra; Wolfgang Wernsdorfer; Petr Neugebauer; Raphael Marx; Maria Dorfel; Bing-Wu Wang; Zong-Quan Wu; Joris van Slageren; Song Gao","The solvent effect in an axially symmetric FeIII4 single-molecule magnet","Chem.Commun.","2014","50","","15090","","10.1039/C4cc07580C","","","0.71073","MoKα","","0.0485","0.0448","","","0.1167","0.1185","","","","","","1.056","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116023","29.778","0.004","29.778","0.004","13.885","0.003","90","","90","","120","","10663","3","173","2","173","2","","","","","","","no","5","R 3 2 :H","R 3 2""","155","Fe4L6-NO2-S","Fe4-NO2(S)","","- C90 H72 Fe4 N12 O24 -","- C90 H72 Fe4 N12 O24 -","- C270 H216 Fe12 N36 O72 -","3","0.166667","","Yuan-Yuan Zhu; Ting-Ting Yin; Shang-Da Jiang; Anne-Laure Barra; Wolfgang Wernsdorfer; Petr Neugebauer; Raphael Marx; Maria Dorfel; Bing-Wu Wang; Zong-Quan Wu; Joris van Slageren; Song Gao","The solvent effect in an axially symmetric FeIII4 single-molecule magnet","Chem.Commun.","2014","50","","15090","","10.1039/C4cc07580C","","","0.71073","MoKα","","0.0616","0.0607","","","0.1735","0.1743","","","","","","1.089","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116024","21.974","0.003","21.974","0.003","16.49","0.003","90","","90","","90","","7962","2","293","2","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C100 H152 Cu16 N40 O64 -","- C100 H136 Cu16 N40 O64 -","- C200 H272 Cu32 N80 O128 -","2","0.125","","Andreas K. Kostopoulos; Athanassios D. Katsenis; Jamie M. Frost; Vadim G. Kessler; Euan K. Brechin; Giannis S. Papaefstathiou","Circular serendipity: in situ ligand transformation for the self-assembly of an hexadecametallic [CuII16] wheel","Chem.Commun.","2014","50","","15002","","10.1039/C4cc07582J","","","0.71073","MoKα","","0.0817","0.0632","","","0.1549","0.1639","","","","","","1.167","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116025","13.184","0.003","12.091","0.003","11.922","0.003","90","","103.716","0.003","90","","1846.3","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 Cl4 Cu2 N4 O4 -","- C10 H20 Cl4 Cu2 N4 O4 -","- C40 H80 Cl16 Cu8 N16 O16 -","4","0.5","","Andreas K. Kostopoulos; Athanassios D. Katsenis; Jamie M. Frost; Vadim G. Kessler; Euan K. Brechin; Giannis S. Papaefstathiou","Circular serendipity: in situ ligand transformation for the self-assembly of an hexadecametallic [CuII16] wheel","Chem.Commun.","2014","50","","15002","","10.1039/C4cc07582J","","","0.71073","MoKα","","0.0316","0.0261","","","0.0689","0.0709","","","","","","1.099","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116026","23.5247","0.0002","23.5247","0.0002","45.7102","0.001","90","","90","","90","","25296.6","0.6","173","2","173","2","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- C60 H44 Cl4 Co2 N12 O18 -","- C60 H40 Cl4 Co2 N12 O18 -","- C960 H640 Cl64 Co32 N192 O288 -","16","","","Man Chen; Siu-Mui Ng; Shek-Man Yiu; Kai-Chung Lau; Raymond J. Zeng; Tai-Chu Lau","Photoinduced water oxidation catalyzed by a double-helical dicobalt(II) sexipyridine complex","Chem.Commun.","2014","50","","14956","","10.1039/C4cc07607A","","","0.71073","MOKα","","0.079","0.0591","","","0.1658","0.1909","","","","","","1.068","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116027","6.864","0.0014","23.286","0.005","9.758","0.004","90","","113.86","0.02","90","","1426.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Cu4 N8 O8 -","- C44 H84 Cu4 N4 O24 -","- C44 H84 Cu4 N4 O24 -","1","0.25","","Biswajit Dey; Priyanka Mukherjee; Ranjan Kumar Mondal; Asoke Prasun Chattopadhyay; Ipsit Hauli; Subhra Kanti Mukhopadhyay; Michel Fleck","Femtomolar level sensing of inorganic arsenic(III) in water and in living-systems using a non-toxic fluorescent probe","Chem.Commun.","2014","50","","15263","","10.1039/C4cc05023A","","","0.71073","MoKα","","0.239","0.124","","","0.2595","0.295","","","","","","1.202","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116028","9.3702","0.0011","17.6226","0.0019","20.22","0.003","110.254","0.003","93.202","0.003","104.012","0.002","3003.2","0.7","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H70 N6 O10 -","- C70 H70 N6 O10 -","- C140 H140 N12 O20 -","2","1","","Song Song; Hua-Fei Zheng; Hai-Tao Feng; Yan-Song Zheng","Microtubes and hollow microspheres formed by winding of nanoribbons from self-assembly of tetraphenylethylene amide macrocycles","Chem.Commun.","2014","50","","15212","","10.1039/C4cc05390G","","","0.71073","MoKα","","0.1149","0.058","","","0.1531","0.1972","","","","","","0.975","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116029","19.2432","0.0008","19.6828","0.0008","19.9173","0.0009","90","","90","","90","","7543.9","0.6","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","{Rh2(O2CCH3)4N(CH2CH2)2NC60}n.nC60.2nCS2","(2)","","- C134 H20 N2 O8 Rh2 S4 -","- C134 H20 N2 O8 Rh2 S4 -","- C536 H80 N8 O32 Rh8 S16 -","4","0.5","","Amineh Aghabali; Marilyn M. Olmstead; Alan L. Balch","Zipping up fullerenes into polymers using rhodium(II) acetate dimer and N(CH2CH2)2NC60 as building blocks","Chem.Commun.","2014","50","","15152","","10.1039/C4cc06995A","","","1.54178","CuKα","","0.0632","0.0603","","","0.172","0.1748","","","","","","1.03","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116030","19.3103","0.0008","19.7315","0.0008","19.9656","0.0009","90","","90","","90","","7607.3","0.6","180","2","180","2","","","","","","","","6","P n m a","-P 2ac 2n","62","{Rh2(O2CCH3)4N(CH2CH2)2NC60}nnC602nCS2","(2) at 180K","","- C134 H20 N2 O8 Rh2 S4 -","- C134 H20 N2 O8 Rh2 S4 -","- C536 H80 N8 O32 Rh8 S16 -","4","0.5","","Amineh Aghabali; Marilyn M. Olmstead; Alan L. Balch","Zipping up fullerenes into polymers using rhodium(II) acetate dimer and N(CH2CH2)2NC60 as building blocks","Chem.Commun.","2014","50","","15152","","10.1039/C4cc06995A","","","0.71073","MoKα","","0.1163","0.0837","","","0.2316","0.2605","","","","","","1.066","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116031","19.3895","0.001","19.8056","0.001","20.0289","0.001","90","","90","","90","","7691.5","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","{Rh2(O2CCH3)4-N(CH2CH2)2NC60}n.nC60.2nCS2","(2)at296K","","- C134 H20 N2 O8 Rh2 S4 -","- C134 H20 N2 O8 Rh2 S4 -","- C536 H80 N8 O32 Rh8 S16 -","4","0.5","","Amineh Aghabali; Marilyn M. Olmstead; Alan L. Balch","Zipping up fullerenes into polymers using rhodium(II) acetate dimer and N(CH2CH2)2NC60 as building blocks","Chem.Commun.","2014","50","","15152","","10.1039/C4cc06995A","","","0.71073","MoKα","","0.1283","0.0886","","","0.252","0.2898","","","","","","1.05","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116032","15.7899","0.0014","19.3598","0.0017","15.892","0.0014","90","","90","","90","","4858","0.7","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","{Rh2(O2CCH3)4N(CH2CH2)2NC60}n.2nCS2","(1)","","- C37 H10 N O4 Rh S2 -","- C37 H10 N O4 Rh S2 -","- C296 H80 N8 O32 Rh8 S16 -","8","1","","Amineh Aghabali; Marilyn M. Olmstead; Alan L. Balch","Zipping up fullerenes into polymers using rhodium(II) acetate dimer and N(CH2CH2)2NC60 as building blocks","Chem.Commun.","2014","50","","15152","","10.1039/C4cc06995A","","","0.71073","MoKα","","0.0277","0.0274","","","0.0726","0.0729","","","","","","1.092","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116033","19.6991","0.0018","15.8057","0.0015","12.8041","0.0012","90","","90","","90","","3986.7","0.6","90","2","90","2","","","","","","","","6","P m m a","-P 2a 2a","51","{(C72","(3)","","- C143 H20 N2 O8 Rh2 S2 -","- C143 H20 N2 O8 Rh2 S2 -","- C286 H40 N4 O16 Rh4 S4 -","2","0.25","","Amineh Aghabali; Marilyn M. Olmstead; Alan L. Balch","Zipping up fullerenes into polymers using rhodium(II) acetate dimer and N(CH2CH2)2NC60 as building blocks","Chem.Commun.","2014","50","","15152","","10.1039/C4cc06995A","","","0.71073","MoKα","","0.1269","0.1133","","","0.3356","0.3567","","","","","","1.583","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116034","14.1979","0.001","8.3992","0.0005","16.4769","0.0013","90","","102.84","0.003","90","","1915.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 I N2 Rh -","- C20 H24 I N2 Rh -","- C80 H96 I4 N8 Rh4 -","4","1","","Debasish Ghorai; Joyanta Choudhury","Exploring a unique reactivity of N-heterocyclic carbenes (NHC) in rhodium(III)-catalyzed intermolecular C-H activation/annulation","Chem.Commun.","2014","50","","15159","","10.1039/C4cc07170K","","","0.71073","MoKα","","0.1244","0.1211","","","0.4282","0.437","","","","","","2.309","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116035","16.032","0.007","8.837","0.003","31.193","0.01","90","","103.528","0.017","90","","4297","3","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 F3 N2 O3 S -","- C25 H19 F3 N2 O3 S -","- C200 H152 F24 N16 O24 S8 -","8","1","","Debasish Ghorai; Joyanta Choudhury","Exploring a unique reactivity of N-heterocyclic carbenes (NHC) in rhodium(III)-catalyzed intermolecular C-H activation/annulation","Chem.Commun.","2014","50","","15159","","10.1039/C4cc07170K","","","0.71073","MoKα","","0.2068","0.0922","","","0.1916","0.2297","","","","","","1.017","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116036","9.6965","0.0013","14.8468","0.0017","30.235","0.004","90","","90","","90","","4352.7","1","117","2","117","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H19 F6 N2 P -","- C24 H19 F6 N2 P -","- C192 H152 F48 N16 P8 -","8","1","","Debasish Ghorai; Joyanta Choudhury","Exploring a unique reactivity of N-heterocyclic carbenes (NHC) in rhodium(III)-catalyzed intermolecular C-H activation/annulation","Chem.Commun.","2014","50","","15159","","10.1039/C4cc07170K","","","0.71073","MoKα","","0.0849","0.0608","","","0.1622","0.1782","","","","","","1.062","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116037","8.7315","0.0004","9.0652","0.0005","16.3291","0.0008","83.644","0.004","88.973","0.003","71.5","0.004","1217.97","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 F3 N2 O3 S -","- C29 H21 F3 N2 O3 S -","- C58 H42 F6 N4 O6 S2 -","2","1","","Debasish Ghorai; Joyanta Choudhury","Exploring a unique reactivity of N-heterocyclic carbenes (NHC) in rhodium(III)-catalyzed intermolecular C-H activation/annulation","Chem.Commun.","2014","50","","15159","","10.1039/C4cc07170K","","","0.71073","MoKα","","0.0473","0.0408","","","0.1051","0.1121","","","","","","1.064","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116038","18.9839","0.0019","10.2711","0.001","22.667","0.002","90","","90","","90","","4419.7","0.7","106","2","106","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H21 F3 N2 O3 S -","- C25 H21 F3 N2 O3 S -","- C200 H168 F24 N16 O24 S8 -","8","1","","Debasish Ghorai; Joyanta Choudhury","Exploring a unique reactivity of N-heterocyclic carbenes (NHC) in rhodium(III)-catalyzed intermolecular C-H activation/annulation","Chem.Commun.","2014","50","","15159","","10.1039/C4cc07170K","","","0.71073","MoKα","","0.0811","0.0461","","","0.0987","0.1117","","","","","","1.006","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116039","14.0991","0.0012","7.9225","0.0007","21.8819","0.0017","90","","100.609","0.002","90","","2402.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 F3 N2 O3 S -","- C27 H19 F3 N2 O3 S -","- C108 H76 F12 N8 O12 S4 -","4","1","","Debasish Ghorai; Joyanta Choudhury","Exploring a unique reactivity of N-heterocyclic carbenes (NHC) in rhodium(III)-catalyzed intermolecular C-H activation/annulation","Chem.Commun.","2014","50","","15159","","10.1039/C4cc07170K","","","0.71073","MoKα","","0.1404","0.0901","","","0.2288","0.2672","","","","","","1.031","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116040","11.0898","0.0002","12.8028","0.0002","14.4904","0.0002","90","","120.131","0.001","90","","1779.36","0.05","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 Ni2 O4 -","- C16 H20 N4 Ni2 O4 -","- C64 H80 N16 Ni8 O16 -","4","1","","Hassib Audi; Zhongrui Chen; Azzam Charaf-Eddin; Anthony D'Aleo; Gabriel Canard; Denis Jacquemin; Olivier Siri","Extendable nickel complex tapes that reach NIR absorptions","Chem.Commun.","2014","50","","15140","","10.1039/C4cc07353C","","x-ray","0.71073","MoKα","","0.0589","0.0367","","","0.0913","0.1026","","","","","","1.034","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116041","21.9173","0.0004","21.9173","0.0004","28.2685","0.0004","90","","90","","120","","11760","0.3","173","2","173","2","","","","","","","","7","P 6/m c c","-P 6 2c","192","","","","- C36 H24 Cu6 I6 In3 N6 O16 -","- C36 H24 Cu6 I6 In3 N6 O16 -","- C144 H96 Cu24 I24 In12 N24 O64 -","4","0.166667","","Jinjie Qian; Feilong Jiang; Kongzhao Su; Jie Pan; Zhenzhen Xue; Linfeng Liang; Partha Pratim Bag; Maochun Hong","Heterometallic cluster-based indium-organic frameworks","Chem.Commun.","2014","50","","15224","","10.1039/C4cc07611G","","","1.54184","CuKα","","0.1128","0.0964","","","0.2853","0.3051","","","","","","1.176","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116042","9.8452","0.0015","16.351","0.003","10.564","0.002","90","","103.618","0.005","90","","1652.8","0.5","373","2","373","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Mieko Arisawa; Saori Tanii; Masahiko Yamaguchi","A palladium-catalyzed addition reaction of aroyl/heteroaroyl acid anhydrides to norbornenes","Chem.Commun.","2014","50","","15267","","10.1039/C4cc07759H","","","0.71075","MoKα","","0.1244","0.0662","","","0.1619","0.2334","","","","","","1.004","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116043","9.4439","0.0004","11.2685","0.0004","28.3698","0.0016","90","","90","","90","","3019.1","0.2","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H46 N4 O6 -","- C30 H46 N4 O6 -","- C120 H184 N16 O24 -","4","0.5","","Can Xue; Chunling Fu; Shengming Ma","Highly regio- and stereoselective nitro-oxoamination of mono-substituted allenes","Chem.Commun.","2014","50","","15333","","10.1039/C4cc05743K","","","0.71073","MoKα","","0.0491","0.0385","","","0.0877","0.0936","","","","","","1.035","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116044","18.9268","0.0013","8.3654","0.0005","23.4009","0.0019","90","","90","","90","","3705.1","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H25 Br N2 O3 -","- C18 H25 Br N2 O3 -","- C144 H200 Br8 N16 O24 -","8","1","","Can Xue; Chunling Fu; Shengming Ma","Highly regio- and stereoselective nitro-oxoamination of mono-substituted allenes","Chem.Commun.","2014","50","","15333","","10.1039/C4cc05743K","","","0.71073","MoKα","","0.0599","0.0381","","","0.0809","0.0915","","","","","","1.033","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116045","17.495","0.004","10.321","0.002","13.577","0.003","90","","90","","90","","2451.5","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- Al6 H10 Na2 O30 P6 -","- Al6 Na2 O30 P6 -","- Al24 Na8 O120 P24 -","4","1","","Yanyan Wang; Yanjun Sun; Ying Mu; Chuanqi Zhang; Jiyang Li; Jihong Yu","Organotemplate-free hydrothermal synthesis of an aluminophosphate molecular sieve with AEN zeotype topology and properties of its derivatives","Chem.Commun.","2014","50","","15400","","10.1039/C4cc06319H","","","0.71073","MoKα","","0.0343","0.0295","","","0.0798","0.082","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116046","18.8609","0.0015","9.2843","0.0008","16.5808","0.0014","90","","90","","90","","2903.5","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","3-acetyl-6-amino-1-(4-methoxyphenyl)-5-(methylthio)pyridin-2(1H)-one","3-acetyl-6-amino-1-(4-methoxyphenyl)-5-(methylthio)pyridin-2(1H)-one","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C120 H128 N16 O24 S8 -","8","1","","Qian Zhang; Xu Liu; Xiaoqing Xin; Rui Zhang; Yongjiu Liang; Dewen Dong","Formal [4+2] annulation of enaminones and cyanomethyl sulfur ylide: one:pot access to polysubstituted pyridin-2(1H)-ones","Chem.Commun.","2014","50","","15378","","10.1039/C4cc06665K","","","0.71073","MoKα","","0.0623","0.0458","","","0.1077","0.1181","","","","","","1.031","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116047","10.122","0.0005","6.909","0.0003","10.959","0.0005","90","0.005","103.632","0.002","90","0.005","744.8","0.06","230","2","230","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H13 Cl2 N3 Pd -","- C15 H13 Cl2 N3 Pd -","- C30 H26 Cl4 N6 Pd2 -","2","0.5","","Arturo Juzgado; M. Mercedes Lorenzo-Garcia; Myriam Barrejon; Ana M. Rodriguez; Julian Rodriguez-Lopez; Sonia Merino; Juan Tejeda","Chelation assistance as a tool for the selective preparation of an imidazole-based mesoionic palladium carbene complex","Chem.Commun.","2014","50","","15313","","10.1039/C4cc07732F","","","0.71073","MoKα","","0.0291","0.0224","","","0.0609","0.0648","","","","","","0.913","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116048","20.793","0.007","11.193","0.003","14.632","0.004","90","","92.944","0.008","90","","3400.9","1.7","230","2","230","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Ag N3 O3 S -","- C16 H16 Ag N3 O3 S -","- C128 H128 Ag8 N24 O24 S8 -","8","1","","Arturo Juzgado; M. Mercedes Lorenzo-Garcia; Myriam Barrejon; Ana M. Rodriguez; Julian Rodriguez-Lopez; Sonia Merino; Juan Tejeda","Chelation assistance as a tool for the selective preparation of an imidazole-based mesoionic palladium carbene complex","Chem.Commun.","2014","50","","15313","","10.1039/C4cc07732F","","","0.71073","MoKα","","0.1148","0.0515","","","0.0828","0.1039","","","","","","0.967","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116049","10.518","0.004","10.893","0.004","19.602","0.007","90","","90","","90","","2245.9","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Br N O3 -","- C27 H24 Br N O3 -","- C108 H96 Br4 N4 O12 -","4","1","","Min Wang; Zi-Qiang Rong; Yu Zhao","Stereoselective synthesis of epsilon-lactones or spiro-heterocycles through NHC-catalyzed annulation: divergent reactivity by catalyst control","Chem.Commun.","2014","50","","15309","","10.1039/C4cc07788A","","","0.71073","MoKα","","0.0429","0.0368","","","0.0867","0.0892","","","","","","1.028","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116050","8.31","0.006","8.664","0.006","65.12","0.04","90","","90","","90","","4688","6","283","2","283","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H29 Cl O3 -","- C27 H29 Cl O3 -","- C216 H232 Cl8 O24 -","8","1","","Veejendra K. Yadav; Ashish K. Verma; Piyush Kumar; Vijaykumar Hulikal","2-Arylcyclopropylmethanol as a substitute for homoallyl aryl alcohol in the construction of cis-2,6-disubstituted tetrahydropyran: synthesis of (+/-)-centrolobine","Chem.Commun.","2014","50","","15457","","10.1039/C4cc07796B","","","0.71073","MoKα","","0.1715","0.0776","","","0.1805","0.2468","","","","","","1.073","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116051","11.4041","0.0007","6.2297","0.0004","20.3921","0.0013","90","","102.231","0.002","90","","1415.85","0.16","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Ge N2 Si -","- C10 H24 Ge N2 Si -","- C40 H96 Ge4 N8 Si4 -","4","1","","P. Steiniger; G. Bendt; D. Blaser; C. Wolper; S. Schulz","Germane vs. digermane formation","Chem.Commun.","2014","50","","15461","","10.1039/C4cc07921C","","","0.71073","MoKα","","0.0372","0.0288","","","0.0701","0.0773","","","","","","1.179","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116052","12.9266","0.0018","6.3714","0.0011","18.087","0.002","90","","94.704","0.008","90","","1484.6","0.4","230","1","230","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Ge N2 Si -","- C10 H24 Ge N2 Si -","- C40 H96 Ge4 N8 Si4 -","4","1","","P. Steiniger; G. Bendt; D. Blaser; C. Wolper; S. Schulz","Germane vs. digermane formation","Chem.Commun.","2014","50","","15461","","10.1039/C4cc07921C","","","0.71073","MoKα","","0.1348","0.0802","","","0.1985","0.2562","","","","","","1.092","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116053","11.9171","0.0008","17.7348","0.0012","17.6945","0.001","90","","109.874","0.004","90","","3517","0.4","180","1","180","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 Ge2 N4 S2 Si2 -","- C24 H58 Ge2 N4 S2 Si2 -","- C96 H232 Ge8 N16 S8 Si8 -","4","1","","P. Steiniger; G. Bendt; D. Blaser; C. Wolper; S. Schulz","Germane vs. digermane formation","Chem.Commun.","2014","50","","15461","","10.1039/C4cc07921C","","","0.71073","MoKα","","0.0862","0.0594","","","0.1313","0.1467","","","","","","1.035","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116054","15.3441","0.0008","9.0775","0.0005","13.8753","0.0007","90","","97.731","0.002","90","","1915.07","0.17","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 Ge N2 Se2 Si -","- C12 H30 Ge N2 Se2 Si -","- C48 H120 Ge4 N8 Se8 Si4 -","4","0.5","","P. Steiniger; G. Bendt; D. Blaser; C. Wolper; S. Schulz","Germane vs. digermane formation","Chem.Commun.","2014","50","","15461","","10.1039/C4cc07921C","","","0.71073","MoKα","","0.0205","0.0159","","","0.0372","0.0385","","","","","","1.064","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116055","11.856","0.0015","12.2706","0.0016","15.0579","0.0019","90","","104.574","0.003","90","","2120.1","0.5","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H34 Ge N2 Se2 Si -","- C14 H34 Ge N2 Se2 Si -","- C56 H136 Ge4 N8 Se8 Si4 -","4","1","","P. Steiniger; G. Bendt; D. Blaser; C. Wolper; S. Schulz","Germane vs. digermane formation","Chem.Commun.","2014","50","","15461","","10.1039/C4cc07921C","","","0.71073","MoKα","","0.0487","0.031","","","0.0695","0.0758","","","","","","1.036","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116056","11.7422","0.0004","12.1799","0.0004","14.9598","0.0005","90","","105.185","0.001","90","","2064.83","0.12","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H34 Ge N2 S2 Si -","- C14 H34 Ge N2 S2 Si -","- C56 H136 Ge4 N8 S8 Si4 -","4","1","","P. Steiniger; G. Bendt; D. Blaser; C. Wolper; S. Schulz","Germane vs. digermane formation","Chem.Commun.","2014","50","","15461","","10.1039/C4cc07921C","","","0.71073","MoKα","","0.0216","0.0175","","","0.0461","0.0486","","","","","","1.077","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116057","11.96","0.0007","18.0926","0.0011","18.1839","0.0011","113.426","0.003","90.896","0.003","99.856","0.003","3541.9","0.4","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H58 Ge2 N4 Se2 Si2 -","- C24 H58 Ge2 N4 Se2 Si2 -","- C96 H232 Ge8 N16 Se8 Si8 -","4","2","","P. Steiniger; G. Bendt; D. Blaser; C. Wolper; S. Schulz","Germane vs. digermane formation","Chem.Commun.","2014","50","","15461","","10.1039/C4cc07921C","","","0.71073","MoKα","","0.063","0.0382","","","0.0831","0.0923","","","","","","1.02","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116058","6.5756","0.0004","10.2876","0.0007","13.1762","0.0009","110.256","0.002","93.937","0.002","107.259","0.002","783.81","0.09","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Ge2 N4 Si2 Te2 -","- C20 H48 Ge2 N4 Si2 Te2 -","- C20 H48 Ge2 N4 Si2 Te2 -","1","0.5","","P. Steiniger; G. Bendt; D. Blaser; C. Wolper; S. Schulz","Germane vs. digermane formation","Chem.Commun.","2014","50","","15461","","10.1039/C4cc07921C","","","0.71073","MoKα","","0.0174","0.0149","","","0.0364","0.0376","","","","","","1.028","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116059","8.1749","0.0004","10.0931","0.0004","33.0892","0.0012","90","","91.786","0.004","90","","2728.9","0.2","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C55 H60 B Cl N2 O2 P3 Re -","- C55 H60 B Cl N2 O2 P3 Re -","- C110 H120 B2 Cl2 N4 O4 P6 Re2 -","2","1","","Laura H. Davies; Benjamin B. Kasten; Paul D. Benny; Rory L. Arrowsmith; Haobo Ge'Sofia I. Pascu; Stan W. Botchway; William Clegg; Ross W. Harrington; Lee J. Higham","Re and ^99m^Tc complexes of BodP3 - multi-modality imaging probes","Chem.Commun.","2014","50","","15503","","10.1039/C4cc06367H","","","0.71073","MoKα","","0.0392","0.0348","","","0.0732","0.0749","","","","","","1.013","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116060","12.0578","0.0008","15.8145","0.0012","32.8027","0.0016","84.193","0.005","89.183","0.005","89.699","0.006","6222.3","0.7","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H76 B Cl N2 O4 P3 Re -","- C63 H76 B Cl N2 O4 P3 Re -","- C252 H304 B4 Cl4 N8 O16 P12 Re4 -","4","2","","Laura H. Davies; Benjamin B. Kasten; Paul D. Benny; Rory L. Arrowsmith; Haobo Ge'Sofia I. Pascu; Stan W. Botchway; William Clegg; Ross W. Harrington; Lee J. Higham","Re and ^99m^Tc complexes of BodP3 - multi-modality imaging probes","Chem.Commun.","2014","50","","15503","","10.1039/C4cc06367H","","","1.54178","CuKα","","0.091","0.0664","","","0.1725","0.1927","","","","","","1.053","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116061","12.7603","0.0004","26.1035","0.0008","15.6208","0.0004","90","","106.521","0.003","90","","4988.3","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H60 B Cl N2 O2 P3 Re -","- C55 H60 B Cl N2 O2 P3 Re -","- C220 H240 B4 Cl4 N8 O8 P12 Re4 -","4","1","","Laura H. Davies; Benjamin B. Kasten; Paul D. Benny; Rory L. Arrowsmith; Haobo Ge'Sofia I. Pascu; Stan W. Botchway; William Clegg; Ross W. Harrington; Lee J. Higham","Re and ^99m^Tc complexes of BodP3 - multi-modality imaging probes","Chem.Commun.","2014","50","","15503","","10.1039/C4cc06367H","","","1.54178","CuKα","","0.0589","0.0408","","","0.0898","0.1001","","","","","","1.031","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116062","10.1353","0.0003","11.9377","0.0005","16.5611","0.0008","97.774","0.004","96.016","0.003","112.238","0.004","1810.9","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H33 F3 O6 P3 Re S -","- C38 H33 F3 O6 P3 Re S -","- C76 H66 F6 O12 P6 Re2 S2 -","2","1","","Laura H. Davies; Benjamin B. Kasten; Paul D. Benny; Rory L. Arrowsmith; Haobo Ge'Sofia I. Pascu; Stan W. Botchway; William Clegg; Ross W. Harrington; Lee J. Higham","Re and ^99m^Tc complexes of BodP3 - multi-modality imaging probes","Chem.Commun.","2014","50","","15503","","10.1039/C4cc06367H","","","0.71073","MoKα","","0.0428","0.0376","","","0.0874","0.0924","","","","","","1.052","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116063","11.7574","0.0005","16.2273","0.0005","18.3187","0.0006","92.712","0.002","97.724","0.003","98.344","0.003","3418.7","0.2","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C69 H80 B F3 N4 O8 P3 Re S -","- C69 H80 B F3 N4 O8 P3 Re S -","- C138 H160 B2 F6 N8 O16 P6 Re2 S2 -","2","1","","Laura H. Davies; Benjamin B. Kasten; Paul D. Benny; Rory L. Arrowsmith; Haobo Ge'Sofia I. Pascu; Stan W. Botchway; William Clegg; Ross W. Harrington; Lee J. Higham","Re and ^99m^Tc complexes of BodP3 - multi-modality imaging probes","Chem.Commun.","2014","50","","15503","","10.1039/C4cc06367H","","","1.54178","CuKα","","0.0748","0.0732","","","0.1994","0.2032","","","","","","1.027","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116064","11.595","0.004","3.844","0.0014","26.917","0.008","90","","90","","90","","1199.7","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H9 N O4 -","- C15 H9 N O4 -","- C60 H36 N4 O16 -","4","1","","Wei Ji; Guofeng Liu; Mingxin Xu; Xiaoqiu Dou; Chuanliang Feng","Rational design of coumarin-based supramolecular hydrogelators for cell imaging","Chem.Commun.","2014","50","","15545","","10.1039/C4cc06376G","","","0.71073","MoKα","","0.118","0.046","","","0.1143","0.1623","","","","","","0.848","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116065","13.274","0.005","13.86","0.005","15.867","0.006","66.711","0.003","69.574","0.004","66.077","0.003","2388.3","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","(bpep)2(res)2","1,3-bis(trans-4-pyridylethenyl)pyridine resorcinol tetrahydrofuran solvate","","- C54 H50 N6 O5 -","- C54 H50 N6 O5 -","- C108 H100 N12 O10 -","2","1","","Dengtai Chen; Xijiang Han; Wen Jin; Yunchen Du; Ping Xu","In situ Raman monitoring of [2+2] cycloaddition of pyridine substituted olefins induced by visible laser","Chem.Commun.","2014","50","","15631","","10.1039/C4cc06808D","","","0.71073","MoKα","","0.1743","0.0676","","","0.1267","0.1646","","","","","","1.033","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116066","7.2173","0.0019","13.875","0.004","14.97","0.004","112.017","0.005","93.953","0.005","94.913","0.006","1376.4","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","[Ag2(PEA)4][TFA]2 (PEA = Ethyl-(pyridine-4-yl)prop-2-enotate, TFA =TFA = trifluoroacetate)","[Ag2(Ethyl-(pyridine-4-yl)prop-2-enotate)4][trifluoroacetate]2","","- C13.5 H11 Ag0.5 F1.5 N O3 -","- C13.5 H11 Ag0.5 F1.5 N O3 -","- C54 H44 Ag2 F6 N4 O12 -","4","2","","Dengtai Chen; Xijiang Han; Wen Jin; Yunchen Du; Ping Xu","In situ Raman monitoring of [2+2] cycloaddition of pyridine substituted olefins induced by visible laser","Chem.Commun.","2014","50","","15631","","10.1039/C4cc06808D","","","0.71073","MoKα","","0.1071","0.0509","","","0.0852","0.0998","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116067","35.277","0.007","29.064","0.006","49.662","0.01","90","","93.81","0.03","90","","50805","18","223","1","223","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C328 H413 Cd24 N22 Nd6 O131 -","- C328 H413 Cd24 N22 Nd6 O131 -","- C1312 H1652 Cd96 N88 Nd24 O524 -","4","1","","Xiaoping Yang; Zongping Li; Shiqing Wang; Shaoming Huang; Desmond Schipper; Richard A. Jones","Self-assembly of NIR luminescent 30-metal drum-like and 12-metal rectangular d-f nanoclusters with long-chain Schiff base ligands","Chem.Commun.","2014","50","","15569","","10.1039/C4cc07174C","","","0.710747","MoKα","","0.1587","0.0874","","","0.2337","0.2441","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116068","35.136","0.007","29.045","0.006","49.536","0.01","90","","94.13","0.03","90","","50421","18","223","1","223","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C328 H413 Cd24 N22 O131 Yb6 -","- C328 H413 Cd24 N22 O131 Yb6 -","- C1312 H1652 Cd96 N88 O524 Yb24 -","4","1","","Xiaoping Yang; Zongping Li; Shiqing Wang; Shaoming Huang; Desmond Schipper; Richard A. Jones","Self-assembly of NIR luminescent 30-metal drum-like and 12-metal rectangular d-f nanoclusters with long-chain Schiff base ligands","Chem.Commun.","2014","50","","15569","","10.1039/C4cc07174C","","","0.710747","MoKα","","0.156","0.1114","","","0.2964","0.3307","","","","","","1.097","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7116069","27.503","0.006","16.362","0.003","33.94","0.007","90","","91.17","0.03","90","","15270","5","223","2","223","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C194 H299 Br8 N8 Nd8 O117 Zn16 -","- C194 H299 Br8 N8 Nd8 O117 Zn16 -","- C388 H598 Br16 N16 Nd16 O234 Zn32 -","2","0.25","","Xiaoping Yang; Zongping Li; Shiqing Wang; Shaoming Huang; Desmond Schipper; Richard A. Jones","Self-assembly of NIR luminescent 30-metal drum-like and 12-metal rectangular d-f nanoclusters with long-chain Schiff base ligands","Chem.Commun.","2014","50","","15569","","10.1039/C4cc07174C","","","0.710747","MoKα","","0.1019","0.0762","","","0.2172","0.2653","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116070","27.466","0.006","16.258","0.003","33.847","0.007","90","","91.29","0.03","90","","15110","5","223","2","223","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C194 H299 Br8 N8 O117 Yb8 Zn16 -","- C194 H299 Br8 N8 O117 Yb8 Zn16 -","- C388 H598 Br16 N16 O234 Yb16 Zn32 -","2","0.25","","Xiaoping Yang; Zongping Li; Shiqing Wang; Shaoming Huang; Desmond Schipper; Richard A. Jones","Self-assembly of NIR luminescent 30-metal drum-like and 12-metal rectangular d-f nanoclusters with long-chain Schiff base ligands","Chem.Commun.","2014","50","","15569","","10.1039/C4cc07174C","","","0.710747","MoKα","","0.1025","0.0815","","","0.2377","0.2616","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116071","19.378","0.002","19.378","0.002","12.1215","0.0013","90","","90","","90","","4551.7","0.8","100","2","100","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C88 H109.36 Cl1.36 O8 S8 -","- C88 H108 Cl1.36 O8 S8 -","- C176 H216 Cl2.72 O16 S16 -","2","0.25","","Simon A. Herbert; Agnieszka Janiak; Praveen K. Thallapally; Jerry L. Atwood; Leonard J. Barbour","Diffusion of vaporous guests into a seemingly non-porous organic crystal","Chem.Commun.","2014","50","","15509","","10.1039/C4cc07366E","","","0.71073","MoKα","","0.0581","0.0457","","","0.11","0.1187","","","","","","1.069","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116072","19.3652","0.0019","19.3652","0.0019","12.1189","0.0012","90","","90","","90","","4544.7","0.8","100","2","100","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C88 H113.08 Cl0.2 O8.44 S8 -","- C88 H114 Cl0.2 O8.44 S8 -","- C176 H228 Cl0.4 O16.88 S16 -","2","0.25","","Simon A. Herbert; Agnieszka Janiak; Praveen K. Thallapally; Jerry L. Atwood; Leonard J. Barbour","Diffusion of vaporous guests into a seemingly non-porous organic crystal","Chem.Commun.","2014","50","","15509","","10.1039/C4cc07366E","","","0.71073","MoKα","","0.0521","0.0408","","","0.0911","0.0979","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116073","19.544","0.003","19.544","0.003","11.924","0.002","90","","90","","90","","4554.6","1.2","100","2","100","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C88 H112 I0.8 O8 S8 -","- C88 H112 I0.8 O8 S8 -","- C176 H224 I1.6 O16 S16 -","2","0.25","","Simon A. Herbert; Agnieszka Janiak; Praveen K. Thallapally; Jerry L. Atwood; Leonard J. Barbour","Diffusion of vaporous guests into a seemingly non-porous organic crystal","Chem.Commun.","2014","50","","15509","","10.1039/C4cc07366E","","","0.71073","MoKα","","0.0621","0.0537","","","0.1456","0.1536","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116074","19.523","0.002","19.523","0.002","11.9511","0.0012","90","","90","","90","","4555.1","0.8","100","2","100","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C88 H113 I0.8 O9 S8 -","- C88 H111.6 I0.8 O9 S8 -","- C176 H223.2 I1.6 O18 S16 -","2","0.25","","Simon A. Herbert; Agnieszka Janiak; Praveen K. Thallapally; Jerry L. Atwood; Leonard J. Barbour","Diffusion of vaporous guests into a seemingly non-porous organic crystal","Chem.Commun.","2014","50","","15509","","10.1039/C4cc07366E","","","0.71073","MoKα","","0.0725","0.0611","","","0.1718","0.1841","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116075","17.848","0.003","21.586","0.003","33.891","0.003","90","","106.314","0.01","90","","12531","3","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H30.51 Au2 Na2 Ni O12 P2 S2 -","- C36 H34 Au2 Na2 Ni O10 P2 S2 -","- C288 H272 Au16 Na16 Ni8 O80 P16 S16 -","8","2","","Kosuke Igawa; Nobuto Yoshinari; Takumi Konno","Proton-controlled formation and interconversion of AuI2NiII trinuclear and AuI4NiII3 heptanuclear complexes with mixed thiomalate and bis(diphenylphosphino)ethane","Chem.Commun.","2014","50","","15573","","10.1039/C4cc07578A","","","0.71075","MoKα","","0.2113","0.1771","","","0.5102","0.524","","","","","","1.822","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7116076","13.6794","0.0003","15.026","0.0003","17.7954","0.0004","90","","93.2001","0.0014","90","","3652.08","0.14","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Xantphos Ni 3-Hexyne","","- C45 H42 Ni O P2 -","- C45 H42 Ni O P2 -","- C180 H168 Ni4 O4 P8 -","4","1","","Nicholas D. Staudaher; Ryan M. Stolley; Janis Louie","Synthesis, mechanism of formation, and catalytic activity of Xantphos nickel pi-complexes","Chem.Commun.","2014","50","","15577","","10.1039/C4cc07590K","","","0.71073","MoKα","","0.0826","0.0423","","","0.0713","0.0843","","","","","","1.044","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116077","11.827","0.0002","12.1552","0.0002","14.8937","0.0003","73.8372","0.0009","84.9154","0.0012","76.8383","0.0011","2001.73","0.06","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","Xantphos Ni Dimethylfumarate","","- C48 H43 Ni O5 P2 -","- C48 H43 Ni O5 P2 -","- C96 H86 Ni2 O10 P4 -","2","1","","Nicholas D. Staudaher; Ryan M. Stolley; Janis Louie","Synthesis, mechanism of formation, and catalytic activity of Xantphos nickel pi-complexes","Chem.Commun.","2014","50","","15577","","10.1039/C4cc07590K","","","0.71073","MoKα","","0.0665","0.0414","","","0.0971","0.1088","","","","","","1.036","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116078","12.8793","0.0003","18.2497","0.0003","19.598","0.0005","90","","98.8516","0.001","90","","4551.52","0.17","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Xantphos Ni Diphenylacetylene","","- C59 H48 Ni O P2 -","- C59 H48 Ni O P2 -","- C236 H192 Ni4 O4 P8 -","4","1","","Nicholas D. Staudaher; Ryan M. Stolley; Janis Louie","Synthesis, mechanism of formation, and catalytic activity of Xantphos nickel pi-complexes","Chem.Commun.","2014","50","","15577","","10.1039/C4cc07590K","","","0.71073","MoKα","","0.1186","0.0516","","","0.0755","0.095","","","","","","1.084","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116079","7.85187","0.00017","19.3756","0.0004","26.7779","0.0006","90","","90","","90","","4073.85","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,2S,3R,5S)-6-(4-chlorophenyl)-1-hydroxy-2-isopropyl-3-(4-nitrophenyl)-8-oxa-6-azabicyclo[3.2.1]octan-7-one","","- C21 H21 Cl N2 O5 -","- C21 H21 Cl N2 O5 -","- C168 H168 Cl8 N16 O40 -","8","2","","Sebastien Goudedranche; David Pierrot; Thierry Constantieux; Damien Bonne; Jean Rodriguez","A temporary-bridge strategy for enantioselective organocatalyzed synthesis of aza-seven-membered rings","Chem.Commun.","2014","50","","15605","","10.1039/C4cc07731H","","x-ray","1.54184","CuKα","","0.0524","0.047","","","0.1299","0.1372","","","","","","1.033","","","","has coordinates","204136","2020-10-21","18:00:00",""
"7116080","11.718","0.0002","25.4446","0.0004","26.3628","0.0003","90","","105.674","0.001","90","","7568","0.2","293","2","293","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C48 H58 F12 N2 O10 P2 S6 -","- C48 H58 F12 N2 O10 P2 S6 -","- C192 H232 F48 N8 O40 P8 S24 -","4","2","","Qi Wang; Ming Cheng; Yue Zhao; Zhen Yang; Juli Jiang; Leyong Wang; Yi Pan","Redox-switchable host-guest systems based on a bisthiotetrathiafulvalene-bridged cryptand","Chem.Commun.","2014","50","","15585","","10.1039/C4cc07770A","","","1.54178","CuKα","","0.1064","0.068","","","0.1512","0.1611","","","","","","1.03","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7116081","13.424","0.016","9.834","0.011","16.368","0.019","90","","113.546","0.007","90","","1981","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Br N2 O2 -","- C24 H19 Br N2 O2 -","- C96 H76 Br4 N8 O8 -","4","1","","Kentaro Okuma; Tomohiro Koga; Saori Ozaki; Yutaro Suzuki; Kenta Horigami; Noriyoshi Nagahora; Kosei Shioji; Masatora Fukuda; Masanobu Deshimaru","One-pot synthesis of dibenzo[b,h][1,6]naphthyridines from 2-acetylaminobenzaldehyde: application to a fluorescent DNA-binding compound","Chem.Commun.","2014","50","","15525","","10.1039/C4cc07807A","","","0.7107","MoKα","","0.1578","0.0902","","","0.2539","0.3358","","","","","","1.063","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116082","36.98","0.018","5.904","0.003","15.103","0.007","90","","90.257","0.009","90","","3297","3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","dibenzonaphthyridine","","","- C23 H16 N2 -","- C23 H16 N2 -","- C184 H128 N16 -","8","1","","Kentaro Okuma; Tomohiro Koga; Saori Ozaki; Yutaro Suzuki; Kenta Horigami; Noriyoshi Nagahora; Kosei Shioji; Masatora Fukuda; Masanobu Deshimaru","One-pot synthesis of dibenzo[b,h][1,6]naphthyridines from 2-acetylaminobenzaldehyde: application to a fluorescent DNA-binding compound","Chem.Commun.","2014","50","","15525","","10.1039/C4cc07807A","","","0.71075","MoKα","","0.1603","0.0707","","","0.1356","0.172","","","","","","1.025","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116083","7.1083","0.0002","10.939","0.0004","18.0093","0.0007","78.1857","0.0008","82.3285","0.001","89.7204","0.0011","1358.06","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 B F4 O8 S8 -","- C24 H15 B F4 O8 S8 -","- C48 H30 B2 F8 O16 S16 -","2","1","","Junya Yoshida; Akira Ueda; Akiko Nakao; Reiji Kumai; Hironori Nakao; Youichi Murakami; Hatsumi Mori","Solid-solid phase interconversion in an organic conductor crystal: hydrogen-bond-mediated dynamic changes in pi-stacked molecular arrangement and physical properties","Chem.Commun.","2014","50","","15557","","10.1039/C4cc07810A","","","1","synchrotron","","0.0371","0.033","","","0.0926","0.0958","","","","","","1.048","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116084","3.999","0.003","29.96","0.03","10.493","0.009","90","","90","","90","","1257.2","1.9","293","","293","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C12 H8 O4 S4 -","- C12 H8 O4 S4 -","- C48 H32 O16 S16 -","4","0.5","","Junya Yoshida; Akira Ueda; Akiko Nakao; Reiji Kumai; Hironori Nakao; Youichi Murakami; Hatsumi Mori","Solid-solid phase interconversion in an organic conductor crystal: hydrogen-bond-mediated dynamic changes in pi-stacked molecular arrangement and physical properties","Chem.Commun.","2014","50","","15557","","10.1039/C4cc07810A","","","0.71075","MoKα","","","0.0559","","","","0.1364","","","","","","1.142","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116085","7.2453","0.0004","9.7714","0.0005","10.8976","0.0006","66.6688","0.0013","85.6578","0.0018","79.0863","0.0019","695.62","0.07","270","","270","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 B F4 O8 S8 -","- C24 H15 B F4 O8 S8 -","- C24 H15 B F4 O8 S8 -","1","0.5","","Junya Yoshida; Akira Ueda; Akiko Nakao; Reiji Kumai; Hironori Nakao; Youichi Murakami; Hatsumi Mori","Solid-solid phase interconversion in an organic conductor crystal: hydrogen-bond-mediated dynamic changes in pi-stacked molecular arrangement and physical properties","Chem.Commun.","2014","50","","15557","","10.1039/C4cc07810A","","","1","synchrotron","","0.0479","0.0435","","","0.1314","0.1348","","","","","","1.086","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116087","6.5198","0.0003","16.3244","0.0007","24.2413","0.0009","90","","94.884","0.004","90","","2570.68","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N2 O2 -","- C32 H28 N2 O2 -","- C128 H112 N8 O8 -","4","1","","Xihong Liu; Jinlong Zhang; Shixiong Ma; Yunxia Ma; Rui Wang","Oxidative cross-dehydrogenative coupling between N-aryl tetrahydroisoquinolins and 5H-oxazol-4-ones through two methodologies: copper catalysis or a metal-free strategy","Chem.Commun.","2014","50","","15714","","10.1039/C4cc04508D","","","0.71073","MoKα","","0.1122","0.0667","","","0.1549","0.1843","","","","","","1.073","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116088","26.9032","0.0015","16.3699","0.0008","19.1527","0.001","90","","90.698","0.003","90","","8434.3","0.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C84 H87 N9 -","- C84 H87 N9 -","- C336 H348 N36 -","4","0.5","","Koushik Acharyya; Partha Sarathi Mukherjee","A fluorescent organic cage for picric acid detection","Chem.Commun.","2014","50","","15788","","10.1039/C4cc06225F","","","0.71073","MoKα","","0.1237","0.0772","","","0.2134","0.2331","","","","","","1.037","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116089","13.2828","0.00018","10.65296","0.00014","37.6191","0.0005","90","","90","","90","","5323.15","0.12","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H31 N O2 -","- C34 H31 N O2 -","- C272 H248 N8 O16 -","8","1","","Jiangang Mao; Weiliang Bao","Palladium-catalyzed [2+1+1] annulation of norbornenes with (z)-bromostyrenes: synthesis of bismethylenecyclobutanes via twofold C(sp2)-H bond activation","Chem.Commun.","2014","50","","15726","","10.1039/C4cc06545J","","","1.54184","CuKα","","0.0464","0.0416","","","0.114","0.1191","","","","","","1.023","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116090","11.649","0.004","8.213","0.003","17.429","0.006","90","","93.953","0.004","90","","1663.5","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TPASi","","- C20 H19 N Si -","- C20 H19 N Si -","- C80 H76 N4 Si4 -","4","1","","Huanhuan Li; Yang Wang; Kai Yuan; Ye Tao; Runfeng Chen; Chao Zheng; Xinhui Zhou; Junfeng Li; Wei Huang","Efficient synthesis of pi-extended phenazasilines for optical and electronic applications","Chem.Commun.","2014","50","","15760","","10.1039/C4cc06636G","","","0.71073","MoKα","","0.0434","0.0344","","","0.0892","0.0968","","","","","","1.048","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116091","9.4672","0.0019","17.673","0.004","10.494","0.002","90","","115.36","0.002","90","","1586.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","PhCzSi","","- C20 H17 N Si -","- C20 H17 N Si -","- C80 H68 N4 Si4 -","4","1","","Huanhuan Li; Yang Wang; Kai Yuan; Ye Tao; Runfeng Chen; Chao Zheng; Xinhui Zhou; Junfeng Li; Wei Huang","Efficient synthesis of pi-extended phenazasilines for optical and electronic applications","Chem.Commun.","2014","50","","15760","","10.1039/C4cc06636G","","","0.71073","MoKα","","0.0523","0.0438","","","0.1138","0.1235","","","","","","1.102","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116092","9.001","0.011","11.207","0.013","20.96","0.02","90","","90.919","0.014","90","","2114","4","103","2","103","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","(3RS,6RS,6aRS,11bRS)-8,11-dimethoxy-6a-methyl-2-oxo-3,4,5,6,6a,7-hexahydro-2H-3,11b-methanoindeno[1,2-b]oxocin-6-yl methanesulfonate (16)","","- C13 H18 O2 -","- C13 H18 O2 -","- C104 H144 O16 -","8","1","","Gamal A. I. Moustafa; Yuki Saku; Hiroshi Aoyama; Takehiko Yoshimitsu","A new route to platencin via decarboxylative radical cyclization","Chem.Commun.","2014","50","","15706","","10.1039/C4cc07316A","","x-ray","0.71073","MoKα","","0.1542","0.1327","","","0.3926","0.4116","","","","","","1.594","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7116093","11.7353","0.0003","14.3656","0.0004","32.1047","0.0009","90","","90","","90","","5412.4","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H44 B Br N2 Ni P2 -","- C24 H44 B Br N2 Ni P2 -","- C192 H352 B8 Br8 N16 Ni8 P16 -","8","1","","Natalia Curado; Celia Maya; Joaquin Lopez-Serrano; Amor Rodriguez","Boryl-assisted hydrogenolysis of a nickel-methyl bond","Chem.Commun.","2014","50","","15718","","10.1039/C4cc07616H","","","0.71073","MoKα","","0.0661","0.0438","","","0.092","0.0996","","","","","","1.055","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116094","11.6644","0.0005","14.3785","0.0006","32.0458","0.0014","90","","90","","90","","5374.6","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H47 B N2 Ni P2 -","- C25 H47 B N2 Ni P2 -","- C200 H376 B8 N16 Ni8 P16 -","8","1","","Natalia Curado; Celia Maya; Joaquin Lopez-Serrano; Amor Rodriguez","Boryl-assisted hydrogenolysis of a nickel-methyl bond","Chem.Commun.","2014","50","","15718","","10.1039/C4cc07616H","","","0.71073","MoKα","","0.0567","0.0393","","","0.0964","0.1059","","","","","","1.019","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116095","12.69","0.003","20.959","0.004","14.541","0.003","90","","97.25","0.03","90","","3836.5","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H60 K2 Mg N2 O3 -","- C36 H60 K2 Mg N2 O3 -","- C144 H240 K8 Mg4 N8 O12 -","4","1","","T. Kruczynski; P. Henke; T. Augenstein; N. Arleth; F. Breher; H. Schnockel","From MgBr via single-electron transfer (SET) to a paramagnetic Mg(II) compound and back to Mg(I): [MgBr(L^1^)^.^]2 and [K(thf)3]2[Mg2(L^1^)2], L^1^ == RN[double bond, length as m-dash]C(Me)C(Me)[double bond, length as m-dash]NR, R == 2,6-diisopropylphenyl","Chem.Commun.","2014","50","","15677","","10.1039/C4cc07680J","","","0.71073","MoKα","","0.1177","0.0597","","","0.136","0.1558","","","","","","0.917","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116096","18.096","0.004","18.733","0.004","11.813","0.002","90","","123.1","0.03","90","","3354.7","1.6","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C56 H80 Cl2 Mg2 N4 -","- C56 H80 Cl2 Mg2 N4 -","- C112 H160 Cl4 Mg4 N8 -","2","0.25","","T. Kruczynski; P. Henke; T. Augenstein; N. Arleth; F. Breher; H. Schnockel","From MgBr via single-electron transfer (SET) to a paramagnetic Mg(II) compound and back to Mg(I): [MgBr(L^1^)^.^]2 and [K(thf)3]2[Mg2(L^1^)2], L^1^ == RN[double bond, length as m-dash]C(Me)C(Me)[double bond, length as m-dash]NR, R == 2,6-diisopropylphenyl","Chem.Commun.","2014","50","","15677","","10.1039/C4cc07680J","","","0.71073","MoKα","","0.0491","0.0458","","","0.1467","0.1491","","","","","","1.069","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116097","14.183","0.003","14.692","0.003","14.201","0.003","90","","108.37","0.03","90","","2808.4","1.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H80 Br2 Mg2 N4 -","- C56 H80 Br2 Mg2 N4 -","- C112 H160 Br4 Mg4 N8 -","2","0.5","","T. Kruczynski; P. Henke; T. Augenstein; N. Arleth; F. Breher; H. Schnockel","From MgBr via single-electron transfer (SET) to a paramagnetic Mg(II) compound and back to Mg(I): [MgBr(L^1^)^.^]2 and [K(thf)3]2[Mg2(L^1^)2], L^1^ == RN[double bond, length as m-dash]C(Me)C(Me)[double bond, length as m-dash]NR, R == 2,6-diisopropylphenyl","Chem.Commun.","2014","50","","15677","","10.1039/C4cc07680J","","","0.71073","MoKα","","0.132","0.0622","","","0.1071","0.1265","","","","","","0.981","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116098","16.25","0.003","16.383","0.003","26.392","0.005","90","","90","","90","","7026","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H60 Mg N2 O2 -","- C36 H60 Mg N2 O2 -","- C288 H480 Mg8 N16 O16 -","8","1","","T. Kruczynski; P. Henke; T. Augenstein; N. Arleth; F. Breher; H. Schnockel","From MgBr via single-electron transfer (SET) to a paramagnetic Mg(II) compound and back to Mg(I): [MgBr(L^1^)^.^]2 and [K(thf)3]2[Mg2(L^1^)2], L^1^ == RN[double bond, length as m-dash]C(Me)C(Me)[double bond, length as m-dash]NR, R == 2,6-diisopropylphenyl","Chem.Commun.","2014","50","","15677","","10.1039/C4cc07680J","","","0.71073","MoKα","","0.0881","0.0483","","","0.0968","0.108","","","","","","0.908","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116099","7.901","0.006","14.273","0.01","16.298","0.01","69.07","0.03","76.98","0.04","85.52","0.04","1673","2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H50 N3 O4 Tb -","- C37 H50 N3 O4 Tb -","- C74 H100 N6 O8 Tb2 -","2","1","","Hidetaka Nakai; Takahiro Goto; Kazuhiro Kitagawa; Kyoshiro Nonaka; Takahiro Matsumoto; Seiji Ogo","A highly luminescent and highly oxygen-sensitive Tb(III) complex with a tris-aryloxide functionalised 1,4,7-triazacyclononane ligand","Chem.Commun.","2014","50","","15737","","10.1039/C4cc07717B","","","0.71075","MoKα","","0.0556","0.0477","","","0.1119","0.1203","","","","","","1.074","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116100","8.0037","0.0011","42.296","0.005","9.1578","0.0011","90","","98.422","0.007","90","","3066.7","0.7","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 Ga N -","- C33 H46 Ga N -","- C132 H184 Ga4 N4 -","4","1","","Takuya Matsumoto; Yoshinobu Onishi; Kazuo Tanaka; Hiroyuki Fueno; Kazuyoshi Tanaka; Yoshiki Chujo","Synthesis of conjugated polymers containing gallium atoms and evaluation of conjugation through four-coordinate gallium atoms","Chem.Commun.","2014","50","","15740","","10.1039/C4cc07865A","","","0.71075","MoKα","","0.1106","0.0601","","","0.1407","0.1693","","","","","","1.027","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116101","8.2055","0.0005","11.8092","0.0007","14.0991","0.001","74.329","0.005","87.125","0.006","76.022","0.005","1276.31","0.15","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H38 Ga N -","- C29.016 H38.35 Ga N -","- C58.032 H76.7 Ga2 N2 -","2","1","","Takuya Matsumoto; Yoshinobu Onishi; Kazuo Tanaka; Hiroyuki Fueno; Kazuyoshi Tanaka; Yoshiki Chujo","Synthesis of conjugated polymers containing gallium atoms and evaluation of conjugation through four-coordinate gallium atoms","Chem.Commun.","2014","50","","15740","","10.1039/C4cc07865A","","","0.71075","MoKα","","0.0913","0.0562","","","0.0881","0.1018","","","","","","1.057","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116102","9.2447","0.0008","15.2085","0.0012","10.6362","0.0009","90","","98.28","0.003","90","","1479.8","0.2","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","(OC-6-33)-tricarbonyl(4,4'-dimethyl-2,2'-bipyridine)(4-oxo-DL-phenylalanyl-5-trifluoromethyl-2H-1,2,3-triazolate-N2) manganese(I)","","- C29 H24 F3 Mn N6 O6 -","- C29 H24 F3 Mn N6 O6 -","- C58 H48 F6 Mn2 N12 O12 -","2","1","","Lucas Henry; Christoph Schneider; Benedict Mutzel; Peter V. Simpson; Christoph Nagel; Katharina Fucke; Ulrich Schatzschneider","Amino acid bioconjugation via iClick reaction of an oxanorbornadiene-masked alkyne with a MnI(bpy)(CO)3-coordinated azide","Chem.Commun.","2014","50","","15692","","10.1039/C4cc07892F","","x-ray","0.71073","MoKα","","0.0373","0.0329","","","0.0728","0.075","","","","","","1.0369","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116103","16.0897","0.0007","14.5131","0.0006","19.1832","0.0008","90","","90","","90","","4479.5","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H17 F3 Mn N5 O5 -","- C21 H17 F3 Mn N5 O5 -","- C168 H136 F24 Mn8 N40 O40 -","8","1","","Lucas Henry; Christoph Schneider; Benedict Mutzel; Peter V. Simpson; Christoph Nagel; Katharina Fucke; Ulrich Schatzschneider","Amino acid bioconjugation via iClick reaction of an oxanorbornadiene-masked alkyne with a MnI(bpy)(CO)3-coordinated azide","Chem.Commun.","2014","50","","15692","","10.1039/C4cc07892F","","x-ray","0.71073","MoKα","K-L~3~","0.0501","0.0306","","","","0.0783","","","","","","1.0427","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116104","5.8905","0.00007","23.7962","0.0003","9.09712","0.00012","90","","102.961","0.0013","90","","1242.67","0.03","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(5-hydroxy-4-methyl-2-(4-methyl-3-nitropyrrolidin-2-yl)-1,2,3,6-tetrahydro-[1,1'-biphenyl]-3-yl)ethyl 2-methylbenzoate","","- C27 H27 Br N2 O5 -","- C27 H27 Br N2 O5 -","- C54 H54 Br2 N4 O10 -","2","1","","Yang Li; Francisco Javier Lopez-Delgado; Danny Kaare Bech Jorgensen; Rune Pagh Nielsen; Hao Jiang; Karl Anker Jorgensen","Trienamine-mediated asymmetric [4+2]-cycloaddition of alpha,beta-unsaturated ester surrogates applying 4-nitro-5-styrylisoxazoles","Chem.Commun.","2014","50","","15689","","10.1039/C4cc08171D","","x-ray","0.71073","MoKα","","0.0518","0.0491","","","0.1333","0.1355","","","","","","1.038","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116105","38.596","0.008","15.279","0.003","23.6","0.005","90","","101.29","0.03","90","","13648","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H38 N6 O20 Zn2 -","- C53 H24 N6 O20 Zn2 -","- C424 H192 N48 O160 Zn16 -","8","1","","Di-Chang Zhong; Lie-Qiang Liao; Ji-Hua Deng; Qing Chen; Ping Lian; Xu-Zhong Luo","A rare (3,4,5)-connected metal-organic framework featuring an unprecedented 1D + 2D > 3D self-interpenetrated array and an O-atom lined pore surface: structure and controlled drug release","Chem.Commun.","2014","50","","15807","","10.1039/C4cc08214A","","","0.71073","MoKα","","0.1832","0.0783","","","0.1782","0.2101","","","","","","0.973","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116106","23.5269","0.0009","16.7472","0.0007","27.9343","0.0011","90","","111.548","0.001","90","","10237.2","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C103 H158 Ag B Cl8 O P4 Pt2 -","- C103 H158 Ag B Cl8 O P4 Pt2 -","- C412 H632 Ag4 B4 Cl32 O4 P16 Pt8 -","4","1","","Holger Braunschweig; Rian D. Dewhurst; Florian Hupp; Christoph Schneider","Silver(I) and thallium(I) cations as unsupported bridges between two metal bases","Chem.Commun.","2014","50","","15685","","10.1039/C4cc08508F","","","0.71073","MoKα","","0.0317","0.0237","","","0.0502","0.0526","","","","","","1.025","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116107","20.429","0.007","17.201","0.006","27.925","0.01","90","","99.446","0.009","90","","9680","6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H144 B Cl8 P4 Pt2 Tl -","- C96 H144 B Cl8 P4 Pt2 Tl -","- C384 H576 B4 Cl32 P16 Pt8 Tl4 -","4","1","","Holger Braunschweig; Rian D. Dewhurst; Florian Hupp; Christoph Schneider","Silver(I) and thallium(I) cations as unsupported bridges between two metal bases","Chem.Commun.","2014","50","","15685","","10.1039/C4cc08508F","","","0.71073","MoKα","","0.0383","0.0282","","","0.0605","0.0637","","","","","","1.009","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116108","18.93","0.005","23.904","0.003","26.047","0.003","90","","90","","90","","11786","4","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C48 H53 Ag B Cl8 F Fe2 O6 P4 -","- C48 H53 Ag B Cl8 F Fe2 O6 P4 -","- C384 H424 Ag8 B8 Cl64 F8 Fe16 O48 P32 -","8","1","","Holger Braunschweig; Rian D. Dewhurst; Florian Hupp; Christoph Schneider","Silver(I) and thallium(I) cations as unsupported bridges between two metal bases","Chem.Commun.","2014","50","","15685","","10.1039/C4cc08508F","","","0.71073","MoKα","","0.0587","0.033","","","0.0603","0.0677","","","","","","1.018","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116109","15.418","0.002","34.135","0.005","10.1886","0.0016","90","","105.446","0.002","90","","5168.5","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cu3 N6 O21 -","- C36 H30 Cu3 N6 O21 -","- C144 H120 Cu12 N24 O84 -","4","1","","Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu","A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature","Chem.Commun.","2014","50","","15886","","10.1039/C4cc06588C","","","0.71073","MoKα","","0.1088","0.0836","","","0.2082","0.2206","","","","","","1.065","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116110","15.331","0.009","32.5","0.019","10.05","0.006","90","","107.451","0.008","90","","4777","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cu3 N4 O20 -","- C34 H26 Cu3 N4 O20 -","- C136 H104 Cu12 N16 O80 -","4","1","","Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu","A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature","Chem.Commun.","2014","50","","15886","","10.1039/C4cc06588C","","","0.71073","MoKα","","0.0932","0.0632","","","0.1639","0.1771","","","","","","1.109","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116111","15.286","0.003","32.626","0.007","10.053","0.002","90","","107.2","0.003","90","","4789.4","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cu3 N4 O20 -","- C34 H30 Cu3 N4 O20 -","- C136 H120 Cu12 N16 O80 -","4","1","","Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu","A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature","Chem.Commun.","2014","50","","15886","","10.1039/C4cc06588C","","","0.71073","MoKα","","0.1191","0.0875","","","0.1964","0.2098","","","","","","1.033","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116112","15.348","0.002","32.866","0.004","10.1122","0.0013","90","","106.642","0.002","90","","4887.2","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Cu3 N4 O20 -","- C36 H34 Cu3 N4 O20 -","- C144 H136 Cu12 N16 O80 -","4","1","","Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu","A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature","Chem.Commun.","2014","50","","15886","","10.1039/C4cc06588C","","","0.71073","MoKα","","0.0889","0.0713","","","0.1827","0.1914","","","","","","1.034","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116113","15.3086","0.0019","32.447","0.004","10.0075","0.0013","90","","107.563","0.002","90","","4739.2","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cu3 N4 O20 -","- C34 H26 Cu3 N4 O20 -","- C136 H104 Cu12 N16 O80 -","4","1","","Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu","A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature","Chem.Commun.","2014","50","","15886","","10.1039/C4cc06588C","","","0.71073","MoKα","","0.0793","0.0576","","","0.153","0.1653","","","","","","1.064","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116114","15.317","0.004","32.467","0.009","10.015","0.003","90","","107.51","0.003","90","","4750","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cu3 N4 O20 -","- C34 H26 Cu3 N4 O20 -","- C136 H104 Cu12 N16 O80 -","4","1","","Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu","A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature","Chem.Commun.","2014","50","","15886","","10.1039/C4cc06588C","","","0.71073","MoKα","","0.0836","0.0582","","","0.1521","0.1648","","","","","","1.1","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116115","15.3248","0.0019","32.715","0.004","10.0565","0.0013","90","","107.143","0.002","90","","4817.8","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cu3 N4 O20 -","- C34 H30 Cu3 N4 O20 -","- C136 H120 Cu12 N16 O80 -","4","1","","Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu","A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature","Chem.Commun.","2014","50","","15886","","10.1039/C4cc06588C","","","0.71073","MoKα","","0.0996","0.0679","","","0.1751","0.1905","","","","","","1.076","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116116","15.319","0.002","32.72","0.004","10.0665","0.0013","90","","107.137","0.002","90","","4821.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cu3 N4 O20 -","- C34 H30 Cu3 N4 O20 -","- C136 H120 Cu12 N16 O80 -","4","1","","Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu","A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature","Chem.Commun.","2014","50","","15886","","10.1039/C4cc06588C","","","0.71073","MoKα","","0.0896","0.0699","","","0.1642","0.173","","","","","","1.037","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116117","15.337","0.0018","32.832","0.004","10.1057","0.0012","90","","106.549","0.002","90","","4877.9","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Cu3 N4 O20 -","- C36 H34 Cu3 N4 O20 -","- C144 H136 Cu12 N16 O80 -","4","1","","Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu","A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature","Chem.Commun.","2014","50","","15886","","10.1039/C4cc06588C","","","0.71073","MoKα","","0.1069","0.0821","","","0.2085","0.2202","","","","","","1.051","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116118","15.3332","0.0015","32.852","0.003","10.1075","0.001","90","","106.565","0.001","90","","4880.1","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Cu3 N4 O20 -","- C36 H34 Cu3 N4 O20 -","- C144 H136 Cu12 N16 O80 -","4","1","","Tao Qin; Jun Gong; Junhan Ma; Xin Wang; Yonghua Wang; Yan Xu; Xuan Shen; Dunru Zhu","A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature","Chem.Commun.","2014","50","","15886","","10.1039/C4cc06588C","","","0.71073","MoKα","","0.1013","0.08","","","0.2051","0.2163","","","","","","1.049","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116119","7.4208","0.0015","19.207","0.004","29.746","0.006","90","","90","","90","","4239.7","1.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H21 N O3 -","- C26 H21 N O3 -","- C208 H168 N8 O24 -","8","1","","Arash Mouradzadegun; Fatemeh Abadast","An improved organic/inorganic solid receptor for colorimetric cyanide-chemosensing in water: towards new mechanism aspects, simplistic use and portability","Chem.Commun.","2014","50","","15983","","10.1039/C4cc06756H","","","0.71073","MoKα","","0.1727","0.055","","","0.12","0.145","","","","","","0.724","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116120","10.1408","0.0017","10.8111","0.0018","13.136","0.002","103.814","0.004","92.891","0.004","95.161","0.004","1389","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 N3 O5 S -","- C32 H27 N3 O5 S -","- C64 H54 N6 O10 S2 -","2","1","","RahulKumar Rajmani Singh; Rai-Shung Liu","Gold-catalyzed 1,2-iminonitronation of electron-deficient alkynes with nitrosoarenes to afford alpha-imidoyl nitrones","Chem.Commun.","2014","50","","15864","","10.1039/C4cc06962E","","","0.71073","MoKα","","0.0776","0.0574","","","0.1466","0.1619","","","","","","1.042","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116121","11.8424","0.0008","10.9091","0.0008","16.0091","0.0011","90","","105.318","0.002","90","","1994.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O6 -","- C20 H20 N2 O6 -","- C80 H80 N8 O24 -","4","1","","RahulKumar Rajmani Singh; Rai-Shung Liu","Gold-catalyzed 1,2-iminonitronation of electron-deficient alkynes with nitrosoarenes to afford alpha-imidoyl nitrones","Chem.Commun.","2014","50","","15864","","10.1039/C4cc06962E","","","0.71073","MoKα","","0.0857","0.048","","","0.1198","0.1396","","","","","","1.03","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116122","10.0965","0.0004","10.8426","0.0005","12.8065","0.0007","111.085","0.005","101.692","0.004","96.127","0.004","1255.95","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 Cl2 N4 O4 -","- C27 H20 Cl2 N4 O4 -","- C54 H40 Cl4 N8 O8 -","2","1","","Xu-Hui Jin; Cheng Chen; Cai-Xia Ren; Li-Xuan Cai; Jie Zhang","Bright white-light emission from a novel donor-acceptor organic molecule in the solid state via intermolecular charge transfer","Chem.Commun.","2014","50","","15878","","10.1039/C4cc07063A","","","1.54178","CuKα","","0.0768","0.0702","","","0.2095","0.2209","","","","","","1.096","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116123","12.3755","0.0014","12.5125","0.0015","22.536","0.003","90","","90","","90","","3489.7","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H30 Cl N3 O -","- C40 H30 Cl N3 O -","- C160 H120 Cl4 N12 O4 -","4","1","","Wei Tan; Xin Li; Yu-Xin Gong; Meng-Di Ge; Feng Shi","Highly diastereo- and enantioselective construction of a spiro[cyclopenta[b]indole-1,3?-oxindole] scaffold via catalytic asymmetric formal [3+2] cycloadditions","Chem.Commun.","2014","50","","15901","","10.1039/C4cc07246D","","","0.71073","MoKα","","0.0757","0.0534","","","0.1489","0.1593","","","","","","1.079","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116124","8.435","0.004","11.876","0.005","19.47","0.008","90","","90","","90","","1950.4","1.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Yu Tan; Yong-Jian Chen; Hua Lin; Han-Lin Luan; Xing-Wen Sun; Xiao-Di Yang; Guo-Qiang Lin","A highly efficient asymmetric synthesis of quaternary stereocenter-containing indolizidine and quinolizidine alkaloids using aldehydes, nitroalkenes, and unactivated cyclic ketimines","Chem.Commun.","2014","50","","15913","","10.1039/C4cc07703B","","","0.71073","MoKα","","0.056","0.0412","","","0.1084","0.1177","","","","","","1.003","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116125","7.3687","0.0007","19.169","0.002","14.7014","0.0015","90","","102.277","0.005","90","","2029.1","0.4","190","2","190.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","catechol, 2,2'-bpe","1,2-dihydroxybenzene, 1,2-bis(2-pyridyl)ethylene","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Giannis S. Papaefstathiou; Andrew J. E. Duncan; Leonard R. MacGillivray","Two act as one: unexpected dimers of catechol direct a solid-state [2+2] photodimerization in a six-component hydrogen-bonded assembly","Chem.Commun.","2014","50","","15960","","10.1039/C4cc07747D","","","0.7107","MoKα","","0.0739","0.0425","","","0.1164","0.1485","","","","","","1.099","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116126","7.4665","0.0008","19.1328","0.0019","14.8336","0.0015","90","","102.249","0.005","90","","2070.8","0.4","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","catechol, 2,2'-bpe, rctt-2,2'-tpcb","1,2-dihydroxybenzene, 1,2-bis(2-pyridyl)ethylene, rctt-tetrakis(2-pyridyl)cyclobutane","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Giannis S. Papaefstathiou; Andrew J. E. Duncan; Leonard R. MacGillivray","Two act as one: unexpected dimers of catechol direct a solid-state [2+2] photodimerization in a six-component hydrogen-bonded assembly","Chem.Commun.","2014","50","","15960","","10.1039/C4cc07747D","","","0.71073","MoKα","","0.0827","0.0589","","","0.1442","0.1548","","","","","","1.152","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116127","11.9841","0.0012","12.6106","0.0013","13.7902","0.0014","109.918","0.005","103.137","0.005","102.958","0.005","1801.6","0.3","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","catechol, 2,2'-tpcb","1,2-dihydroxybenzene, rctt-tetrakis(2-pyridyl)cyclobutane","","- C42 H38 N4 O6 -","- C42 H38 N4 O6 -","- C84 H76 N8 O12 -","2","1","","Giannis S. Papaefstathiou; Andrew J. E. Duncan; Leonard R. MacGillivray","Two act as one: unexpected dimers of catechol direct a solid-state [2+2] photodimerization in a six-component hydrogen-bonded assembly","Chem.Commun.","2014","50","","15960","","10.1039/C4cc07747D","","","0.71073","MoKα","","0.0779","0.0512","","","0.1451","0.1776","","","","","","1.139","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116128","14.9822","0.0004","16.9494","0.0005","17.6201","0.0004","96.532","0.002","101.584","0.0019","113.2","0.003","3935.3","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C78.8 H97.6 I4 O15.7 -","- C78.8 H97.6 I4 O15.7 -","- C157.6 H195.2 I8 O31.4 -","2","1","","L. Turunen; N. K. Beyeh; F. Pan; A. Valkonen; K. Rissanen","Tetraiodoethynyl resorcinarene cavitands as multivalent halogen bond donors","Chem.Commun.","2014","50","","15920","","10.1039/C4cc07771G","","","1.54184","CuKα","","0.0818","0.0728","","","0.1951","0.2091","","","","","","1.022","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116129","27.3028","0.0005","12.2692","0.0002","29.324","0.0005","90","","90.8176","0.0015","90","","9822.1","0.3","123.01","0.1","123.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C103 H111 I4 N7 O8 -","- C103 H111 I4 N7 O8 -","- C412 H444 I16 N28 O32 -","4","0.5","","L. Turunen; N. K. Beyeh; F. Pan; A. Valkonen; K. Rissanen","Tetraiodoethynyl resorcinarene cavitands as multivalent halogen bond donors","Chem.Commun.","2014","50","","15920","","10.1039/C4cc07771G","","x-ray","1.54184","CuKα","","0.0488","0.0429","","","0.1141","0.1204","","","","","","1.032","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116130","24.4168","0.0007","24.5753","0.0013","19.1408","0.0006","90","","106.621","0.003","90","","11005.6","0.8","123","0.1","123","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C99 H147 Br2 Cl3 I4 N2 O11 -","- C99 H147 Br2 Cl3 I4 N2 O11 -","- C396 H588 Br8 Cl12 I16 N8 O44 -","4","1","","L. Turunen; N. K. Beyeh; F. Pan; A. Valkonen; K. Rissanen","Tetraiodoethynyl resorcinarene cavitands as multivalent halogen bond donors","Chem.Commun.","2014","50","","15920","","10.1039/C4cc07771G","","","1.54184","CuKα","","0.0838","0.0567","","","0.1431","0.1635","","","","","","1.029","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116131","5.3824","0.0003","7.5543","0.0003","13.7185","0.0007","84.481","0.004","81.449","0.005","83.467","0.004","546.23","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H36 N2 O2 -","- C26 H36 N2 O2 -","- C26 H36 N2 O2 -","1","0.5","","Matthew D. Jones; Stuart L. Hancock; Paul McKeown; Pascal M. Schafer; Antoine Buchard; Lynne H. Thomas; Mary F. Mahon; John P. Lowe","Zirconium complexes of bipyrrolidine derived salan ligands for the isoselective polymerisation of rac-lactide","Chem.Commun.","2014","50","","15967","","10.1039/C4cc07871C","","x-ray","1.54184","CuKα","","0.0582","0.0556","","","","0.1518","","","","","","1.088","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116132","10.4058","0.0001","10.4058","0.0001","28.767","0.0002","90","","90","","90","","3114.91","0.05","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C32 H48 N2 O4 Zr -","- C32 H48 N2 O4 Zr -","- C128 H192 N8 O16 Zr4 -","4","1","","Matthew D. Jones; Stuart L. Hancock; Paul McKeown; Pascal M. Schafer; Antoine Buchard; Lynne H. Thomas; Mary F. Mahon; John P. Lowe","Zirconium complexes of bipyrrolidine derived salan ligands for the isoselective polymerisation of rac-lactide","Chem.Commun.","2014","50","","15967","","10.1039/C4cc07871C","","x-ray","1.54184","CuKα","","0.0703","0.0703","","","","0.1914","","","","","","1.095","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116133","14.137","0.0006","13.4859","0.0005","16.7232","0.0007","90","","101.392","0.004","90","","3125.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 N2 O4 Zr -","- C32 H48 N2 O4 Zr -","- C128 H192 N8 O16 Zr4 -","4","1","","Matthew D. Jones; Stuart L. Hancock; Paul McKeown; Pascal M. Schafer; Antoine Buchard; Lynne H. Thomas; Mary F. Mahon; John P. Lowe","Zirconium complexes of bipyrrolidine derived salan ligands for the isoselective polymerisation of rac-lactide","Chem.Commun.","2014","50","","15967","","10.1039/C4cc07871C","","x-ray","1.54184","CuKα","","0.0982","0.0845","","","","0.2368","","","","","","1.03","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116134","10.4166","0.0003","10.4166","0.0003","28.8034","0.0015","90","","90","","90","","3125.3","0.2","150","2","150","2","","","","","","","","5","P 43","P 4cw","78","","","","- C32 H48 N2 O4 Zr -","- C32 H48 N2 O4 Zr -","- C128 H192 N8 O16 Zr4 -","4","1","","Matthew D. Jones; Stuart L. Hancock; Paul McKeown; Pascal M. Schafer; Antoine Buchard; Lynne H. Thomas; Mary F. Mahon; John P. Lowe","Zirconium complexes of bipyrrolidine derived salan ligands for the isoselective polymerisation of rac-lactide","Chem.Commun.","2014","50","","15967","","10.1039/C4cc07871C","","","0.71073","MoKα","","0.0412","0.0391","","","","0.0735","","","","","","0.936","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116135","19.8657","0.0019","10.6594","0.001","21.676","0.002","90","","109.941","0.001","90","","4314.8","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H48 Cl3 O9 -","- C51 H48 Cl3 O9 -","- C204 H192 Cl12 O36 -","4","1","","Akil I. Joseph; Gracia El-Ayle; Celine Boutin; Estelle Leonce; Patrick Berthault; K. Travis Holman","Rim-functionalized cryptophane-111 derivatives via heterocapping, and their xenon complexes","Chem.Commun.","2014","50","","15905","","10.1039/C4cc08001G","","x-ray","0.71073","MoKα","","0.0745","0.0459","","","0.1135","0.1277","","","","","","1.056","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116136","10.5024","0.0014","29.658","0.004","19.9","0.003","90","","102.954","0.002","90","","6040.7","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C73 H66 N O15.5 -","- C73 H66 N O15.5 -","- C292 H264 N4 O62 -","4","1","","Akil I. Joseph; Gracia El-Ayle; Celine Boutin; Estelle Leonce; Patrick Berthault; K. Travis Holman","Rim-functionalized cryptophane-111 derivatives via heterocapping, and their xenon complexes","Chem.Commun.","2014","50","","15905","","10.1039/C4cc08001G","","x-ray","0.71073","MoKα","","0.084","0.0507","","","0.1281","0.1402","","","","","","1.095","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116137","19.9358","0.0002","10.941","0.0001","21.074","0.0003","90","","107.333","0.001","90","","4387.88","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H48 Cl3 O9 Xe0.92 -","- C51 H48 Cl3 O9 Xe0.92 -","- C204 H192 Cl12 O36 Xe3.68 -","4","1","","Akil I. Joseph; Gracia El-Ayle; Celine Boutin; Estelle Leonce; Patrick Berthault; K. Travis Holman","Rim-functionalized cryptophane-111 derivatives via heterocapping, and their xenon complexes","Chem.Commun.","2014","50","","15905","","10.1039/C4cc08001G","","x-ray","0.71073","MoKα","","0.0603","0.0337","","","0.0836","0.0914","","","","","","0.979","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116138","10.6375","0.001","30.647","0.003","11.2147","0.001","90","","95.916","0.001","90","","3636.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trisbromo-cryptophane-111","","","- C45 H32.94 Br3.06 O6 -","- C45 H32.94 Br3.06 O6 -","- C180 H131.76 Br12.24 O24 -","4","1","","Akil I. Joseph; Gracia El-Ayle; Celine Boutin; Estelle Leonce; Patrick Berthault; K. Travis Holman","Rim-functionalized cryptophane-111 derivatives via heterocapping, and their xenon complexes","Chem.Commun.","2014","50","","15905","","10.1039/C4cc08001G","","x-ray","0.71073","MoKα","","0.0575","0.0383","","","0.0895","0.0945","","","","","","1.034","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116139","10.8591","0.0001","30.5071","0.0004","11.0807","0.0001","90","","94.216","0.001","90","","3660.88","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Xe@trisbromo-cryptophane-111","","","- C45 H32.94 Br3.06 O6 Xe0.96 -","- C45 H32.94 Br3.06 O6 Xe0.96 -","- C180 H131.76 Br12.24 O24 Xe3.84 -","4","1","","Akil I. Joseph; Gracia El-Ayle; Celine Boutin; Estelle Leonce; Patrick Berthault; K. Travis Holman","Rim-functionalized cryptophane-111 derivatives via heterocapping, and their xenon complexes","Chem.Commun.","2014","50","","15905","","10.1039/C4cc08001G","","x-ray","0.71073","MoKα","","0.0606","0.0341","","","0.0756","0.0808","","","","","","1.046","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116140","17.6479","0.0013","17.6479","0.0013","31.002","0.002","90","","90","","120","","8361.9","1","106.8","0.5","106.8","0.5","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H71 Eu N3 O29.5 S -","- C42 H33 Eu N3 O11.97 S0.99 -","- C252 H198 Eu6 N18 O71.82 S5.94 -","6","0.333333","","Jian-Ke Sun; Cheng Chen; Li-Xuan Cai; Cai-Xia Ren; Bin Tan; Jie Zhang","Mechanical grinding of a single-crystalline metal-organic framework triggered emission with tunable violet-to-orange luminescence","Chem.Commun.","2014","50","","15956","","10.1039/C4cc08316D","","","0.71073","MoKα","","0.1333","0.0981","","","0.2244","0.243","","","","","","1.09","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116141","8.7752","0.0009","24.925","0.003","10.2418","0.0011","90","","92.29","0.002","90","","2238.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O4 S -","- C26 H24 N2 O4 S -","- C104 H96 N8 O16 S4 -","4","1","","Yong-Sheng Zhang; Xiang-Ying Tang; Min Shi","Unprecedented synthesis of aza-bridged benzodioxepine derivatives through a tandem Rh(II)-catalyzed 1,3-rearrangement/[3+2] cycloaddition of carbonyltriazoles","Chem.Commun.","2014","50","","15971","","10.1039/C4cc08339C","","","0.71073","MoKα","","0.0639","0.0522","","","0.1324","0.1419","","","","","","1.031","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116142","17.4958","0.0018","11.4975","0.0012","15.7284","0.0017","90","","115.554","0.002","90","","2854.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N2 O6 S2 -","- C32 H28 N2 O6 S2 -","- C128 H112 N8 O24 S8 -","4","1","","Yong-Sheng Zhang; Xiang-Ying Tang; Min Shi","Unprecedented synthesis of aza-bridged benzodioxepine derivatives through a tandem Rh(II)-catalyzed 1,3-rearrangement/[3+2] cycloaddition of carbonyltriazoles","Chem.Commun.","2014","50","","15971","","10.1039/C4cc08339C","","","0.71073","MoKα","","0.0825","0.0511","","","0.1211","0.1361","","","","","","1.047","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116143","17.324","0.008","15.968","0.008","5.799","0.003","90","","90","","90","","1604.2","1.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H15 N O4 S -","- C17 H15 N O4 S -","- C68 H60 N4 O16 S4 -","4","1","","Yong-Sheng Zhang; Xiang-Ying Tang; Min Shi","Unprecedented synthesis of aza-bridged benzodioxepine derivatives through a tandem Rh(II)-catalyzed 1,3-rearrangement/[3+2] cycloaddition of carbonyltriazoles","Chem.Commun.","2014","50","","15971","","10.1039/C4cc08339C","","","0.71073","MoKα","","0.1266","0.0658","","","0.148","0.1718","","","","","","0.977","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116179","6.2868","0.0005","8.7137","0.0005","24.2013","0.0017","90","","90","","90","","1325.78","0.16","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H8 Cl3 N O -","- C14 H8 Cl3 N O -","- C56 H32 Cl12 N4 O4 -","4","1","","Verma, Ajay; Patel, Saket; Meenakshi, ?; Kumar, Amit; Yadav, Abhimanyu; Kumar, Shailesh; Jana, Sadhan; Sharma, Shubham; Prasad, Ch Durga; Kumar, Sangit","Transition metal free intramolecular selective oxidative C(sp(3))-N coupling: synthesis of N-aryl-isoindolinones from 2-alkylbenzamides.","Chemical communications (Cambridge, England)","2014","51","7","1371","1374","10.1039/c4cc08717h","","x-ray","0.71073","MoKα","","0.0658","0.0355","","","0.0731","0.0808","","","","","","1.03","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116180","11.335","0.003","8.635","0.002","13.184","0.004","90","","94.87","0.02","90","","1285.8","0.6","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Br N O -","- C15 H12 Br N O -","- C60 H48 Br4 N4 O4 -","4","1","","Verma, Ajay; Patel, Saket; Meenakshi, ?; Kumar, Amit; Yadav, Abhimanyu; Kumar, Shailesh; Jana, Sadhan; Sharma, Shubham; Prasad, Ch Durga; Kumar, Sangit","Transition metal free intramolecular selective oxidative C(sp(3))-N coupling: synthesis of N-aryl-isoindolinones from 2-alkylbenzamides.","Chemical communications (Cambridge, England)","2014","51","7","1371","1374","10.1039/c4cc08717h","","x-ray","0.71073","MoKα","","0.0884","0.057","","","0.1624","0.1825","","","","","","1.093","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116181","11.4297","0.0013","5.9995","0.0006","21.003","0.002","90","","96.386","0.008","90","","1431.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O -","- C20 H15 N O -","- C80 H60 N4 O4 -","4","1","","Verma, Ajay; Patel, Saket; Meenakshi, ?; Kumar, Amit; Yadav, Abhimanyu; Kumar, Shailesh; Jana, Sadhan; Sharma, Shubham; Prasad, Ch Durga; Kumar, Sangit","Transition metal free intramolecular selective oxidative C(sp(3))-N coupling: synthesis of N-aryl-isoindolinones from 2-alkylbenzamides.","Chemical communications (Cambridge, England)","2014","51","7","1371","1374","10.1039/c4cc08717h","","x-ray","0.71073","MoKα","","0.1331","0.065","","","0.1426","0.1824","","","","","","0.938","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116182","16.379","0.004","10.494","0.003","21.831","0.005","90","","90","","90","","3752.3","1.7","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H15 B Br F2 N O -","- C21 H15 B Br F2 N O -","- C168 H120 B8 Br8 F16 N8 O8 -","8","1","","Yang, Zheng; Jiang, Bo; Hao, Wen-Juan; Zhou, Peng; Tu, Shu-Jiang; Li, Guigen","Synthesis of enaminones and their difluoroboron complexes through domino aryl migration.","Chemical communications (Cambridge, England)","2014","51","7","1267","1270","10.1039/c4cc08257e","","","0.71073","MoKα","","0.0621","0.0485","","","0.1885","0.2134","","","","","","1.077","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116183","16.9201","0.0015","10.043","0.0009","19.7402","0.0017","90","","98.841","0.002","90","","3314.6","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cl N O -","- C21 H16 Cl N O -","- C168 H128 Cl8 N8 O8 -","8","1","","Yang, Zheng; Jiang, Bo; Hao, Wen-Juan; Zhou, Peng; Tu, Shu-Jiang; Li, Guigen","Synthesis of enaminones and their difluoroboron complexes through domino aryl migration.","Chemical communications (Cambridge, England)","2014","51","7","1267","1270","10.1039/c4cc08257e","","","0.71073","MoKα","","0.1623","0.0666","","","0.1518","0.2046","","","","","","1","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116186","10.7874","0.0002","11.7736","0.0002","17.9983","0.0003","90","","93.574","0.002","90","","2281.46","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H52 Ir Na8 O50 W6 -","- Ir Na8 O50 W6 -","- Ir2 Na16 O100 W12 -","2","0.5","","Adonin, Sergey A.; Izarova, Natalya V.; Besson, Claire; Abramov, Pavel A.; Santiago-Schübel, Beatrix; Kögerler, Paul; Fedin, Vladimir P.; Sokolov, Maxim N.","An Ir(IV)-containing polyoxometalate.","Chemical communications (Cambridge, England)","2014","51","7","1222","1225","10.1039/c4cc09271f","","","1.54178","CuKα","","0.0671","0.0666","","","0.1855","0.1862","","","","","","1.127","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116187","8.9995","0.0002","11.2653","0.0002","12.4259","0.0003","108.449","0.002","106.127","0.002","105.317","0.002","1058.86","0.05","119.95","0.1","120","2","","","","","","","","5","P -1","-P 1","2","","","","- H54 Ir Na6 O50 W6 -","- Ir Na6 O46 W6 -","- Ir Na6 O46 W6 -","1","0.5","","Adonin, Sergey A.; Izarova, Natalya V.; Besson, Claire; Abramov, Pavel A.; Santiago-Schübel, Beatrix; Kögerler, Paul; Fedin, Vladimir P.; Sokolov, Maxim N.","An Ir(IV)-containing polyoxometalate.","Chemical communications (Cambridge, England)","2014","51","7","1222","1225","10.1039/c4cc09271f","","","0.71073","MoKα","","0.0364","0.0338","","","0.1256","0.1302","","","","","","1.043","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116189","11.225","0.002","10.379","0.002","16.136","0.003","90","","90.59","0.002","90","","1879.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H21 Cl6 N2 O W -","- C9 H21 Cl6 N2 O W -","- C36 H84 Cl24 N8 O4 W4 -","4","1","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A crystallographically characterized salt of self-generated N-protonated tetraethylurea.","Chemical communications (Cambridge, England)","2014","51","7","1323","1325","10.1039/c4cc08801h","","","0.71073","MoKα","","0.0294","0.0241","","","0.0559","0.0583","","","","","","1.026","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116190","11.3859","0.0003","32.688","0.001","13.0222","0.0004","90","","96.019","0.002","90","","4819.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 N2 P3 -","- C56 H62 N2 P3 -","- C224 H248 N8 P12 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","P-P σ-bond activation by gold(I) coordination.","Chemical communications (Cambridge, England)","2014","51","7","1363","1366","10.1039/c4cc09164g","","","0.71073","MoKα","","0.0986","0.0525","","","0.1238","0.1472","","","","","","1.049","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116191","12.4677","0.0004","21.4096","0.0008","22.9115","0.0008","75.619","0.002","89.277","0.002","82.235","0.002","5868.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C63.5 H69.5 Au2 Cl2 N2 P3 -","- C63.5 H69.5 Au2 Cl2 N2 P3 -","- C254 H278 Au8 Cl8 N8 P12 -","4","2","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","P-P σ-bond activation by gold(I) coordination.","Chemical communications (Cambridge, England)","2014","51","7","1363","1366","10.1039/c4cc09164g","","","0.71073","MoKα","","0.0931","0.044","","","0.0856","0.1006","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7116192","19.8747","0.0005","12.2909","0.0005","44.936","0.0014","90","","101.502","0.002","90","","10756.4","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H65 Au Cl N2 P3 -","- C59 H65 Au Cl N2 P3 -","- C472 H520 Au8 Cl8 N16 P24 -","8","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","P-P σ-bond activation by gold(I) coordination.","Chemical communications (Cambridge, England)","2014","51","7","1363","1366","10.1039/c4cc09164g","","","0.71073","MoKα","","0.1119","0.0803","","","0.1443","0.1528","","","","","","1.253","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116193","11.4133","0.0011","11.8735","0.0013","24.862","0.003","97.632","0.003","90.569","0.003","114.933","0.003","3020","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H74 Au Cl N2 P3 -","- C68 H74 Au Cl N2 P3 -","- C136 H148 Au2 Cl2 N4 P6 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","P-P σ-bond activation by gold(I) coordination.","Chemical communications (Cambridge, England)","2014","51","7","1363","1366","10.1039/c4cc09164g","","","0.71073","MoKα","","0.0632","0.0394","","","0.0734","0.0806","","","","","","1.016","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116194","11.3526","0.0007","19.7589","0.0012","20.1301","0.0013","96.454","0.004","102.126","0.003","91.32","0.004","4381.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex 2","","","- C48 H61 Br0 Cl N3 Nb O -","- C48 H61 Cl N3 Nb O -","- C192 H244 Cl4 N12 Nb4 O4 -","4","2","","Obenhuber, A. H.; Gianetti, T. L.; Bergman, R. G.; Arnold, J.","Regioselective [2+2] and [4+2] cycloaddition reactivity in an asymmetric niobium(bisimido) moiety towards unsaturated organic molecules.","Chemical communications (Cambridge, England)","2014","51","7","1278","1281","10.1039/c4cc07851a","","","0.71073","MoKα","","0.0649","0.0399","","","0.0779","0.0876","","","","","","1.024","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116195","11.126","0.0007","16.7319","0.0011","15.5707","0.001","90","","108.06","0.001","90","","2755.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compex 3","","","- C29 H41 N2 Nb O -","- C29 H41 N2 Nb O -","- C116 H164 N8 Nb4 O4 -","4","1","","Obenhuber, A. H.; Gianetti, T. L.; Bergman, R. G.; Arnold, J.","Regioselective [2+2] and [4+2] cycloaddition reactivity in an asymmetric niobium(bisimido) moiety towards unsaturated organic molecules.","Chemical communications (Cambridge, England)","2014","51","7","1278","1281","10.1039/c4cc07851a","","","0.71073","MoKα","","0.0303","0.0241","","","0.0588","0.0624","","","","","","1.094","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116196","10.714","0.0019","11.714","0.002","18.976","0.003","86.853","0.01","76.422","0.009","65.449","0.008","2103.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Complex 4","","","- C47 H60 N3 Nb -","- C47 H60 N3 Nb -","- C94 H120 N6 Nb2 -","2","1","","Obenhuber, A. H.; Gianetti, T. L.; Bergman, R. G.; Arnold, J.","Regioselective [2+2] and [4+2] cycloaddition reactivity in an asymmetric niobium(bisimido) moiety towards unsaturated organic molecules.","Chemical communications (Cambridge, England)","2014","51","7","1278","1281","10.1039/c4cc07851a","","","0.71069","MoKα","","0.0387","0.032","","","0.0809","0.0883","","","","","","1.079","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116197","12.5601","0.0004","35.993","0.0011","9.2081","0.0003","90","","116.264","0.002","90","","3733","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","Complex 5","","","- C39 H60 N3 Nb -","- C39 H60 N3 Nb -","- C156 H240 N12 Nb4 -","4","1","","Obenhuber, A. H.; Gianetti, T. L.; Bergman, R. G.; Arnold, J.","Regioselective [2+2] and [4+2] cycloaddition reactivity in an asymmetric niobium(bisimido) moiety towards unsaturated organic molecules.","Chemical communications (Cambridge, England)","2014","51","7","1278","1281","10.1039/c4cc07851a","","","0.71073","MoKα","","0.0685","0.0477","","","0.0806","0.0886","","","","","","1.017","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116198","34.02","0.003","13.276","0.0013","16.2477","0.0016","90","","96.893","0.005","90","","7285.2","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Complex 6","","","- C40 H60 N3 Nb -","- C40 H60 N3 Nb -","- C320 H480 N24 Nb8 -","8","1","","Obenhuber, A. H.; Gianetti, T. L.; Bergman, R. G.; Arnold, J.","Regioselective [2+2] and [4+2] cycloaddition reactivity in an asymmetric niobium(bisimido) moiety towards unsaturated organic molecules.","Chemical communications (Cambridge, England)","2014","51","7","1278","1281","10.1039/c4cc07851a","","","0.71073","MoKα","","0.0417","0.0299","","","0.0638","0.0694","","","","","","1.03","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116199","9.0107","0.0005","9.2903","0.0006","15.7168","0.0005","103.806","0.004","91.307","0.004","115.131","0.006","1145.14","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 B2 Cu2 N12 -","- C18 H20 B2 Cu2 N12 -","- C36 H40 B4 Cu4 N24 -","2","1","","Wen, Tian; Zhang, De-Xiang; Liu, Juan; Zhang, Hai-Xia; Zhang, Jian","Facile synthesis of bimetal Au-Ag nanoparticles in a Cu(i) boron imidazolate framework with mechanochromic properties.","Chemical communications (Cambridge, England)","2014","51","7","1353","1355","10.1039/c4cc09041a","","","1.54184","CuKα","","0.0405","0.0362","","","0.0965","0.1001","","","","","","1.075","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116200","26.437","0.009","10.311","0.003","9.126","0.003","90","","90","","90","","2487.7","1.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H22 F7 N2 O3 -","- C21 H22 F7 N2 O3 -","- C84 H88 F28 N8 O12 -","4","1","","Liu, Chunmei; Shi, Erbo; Xu, Feng; Luo, Qiang; Wang, Hongxiang; Chen, Jijun; Wan, Xiaobing","Combination of fluoroalkylation and Kornblum-DeLaMare reaction: a new strategy for the construction of (Z)-β-perfluoroalkyl enaminones.","Chemical communications (Cambridge, England)","2014","51","7","1214","1217","10.1039/c4cc07833k","","","0.7107","MoKα","","0.1706","0.1049","","","0.2433","0.2747","","","","","","1.136","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116203","13.6665","0.0006","5.3783","0.0002","14.176","0.0006","90","","115.422","0.002","90","","941.08","0.07","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H17 Cl N2 O S -","- C23 H17 Cl N2 O S -","- C46 H34 Cl2 N4 O2 S2 -","2","1","","Ni, Qijian; Song, Xiaoxiao; Xiong, Jiawen; Raabe, Gerhard; Enders, Dieter","Regio- and stereoselective synthesis of benzothiazolo-pyrimidinones via an NHC-catalyzed Mannich/lactamization domino reaction.","Chemical communications (Cambridge, England)","2014","51","7","1263","1266","10.1039/c4cc08594a","","","1.54178","CuKα","","0.026","0.026","","0.032","","0.032","","","1.002","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116206","8.6769","0.0011","15.92","0.002","17.935","0.003","115.794","0.004","103.951","0.003","90.302","0.003","2147.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H47 B2 F8 N7 O3 -","- C44 H47 B2 F8 N7 O3 -","- C88 H94 B4 F16 N14 O6 -","2","1","","Teng, Qiaoqiao; Huynh, Han Vinh","Controlled access to a heterometallic N-heterocyclic carbene helicate.","Chemical communications (Cambridge, England)","2014","51","7","1248","1251","10.1039/c4cc08270b","","","0.71073","MoKα","","0.1026","0.072","","","0.1545","0.1672","","","","","","1.09","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116207","13.924","0.007","15.956","0.008","14.787","0.008","90","","116.941","0.009","90","","2929","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Au B F4 N7 O2 -","- C29 H31 Au B F4 N7 O2 -","- C116 H124 Au4 B4 F16 N28 O8 -","4","1","","Teng, Qiaoqiao; Huynh, Han Vinh","Controlled access to a heterometallic N-heterocyclic carbene helicate.","Chemical communications (Cambridge, England)","2014","51","7","1248","1251","10.1039/c4cc08270b","","","0.71073","MoKα","","0.0445","0.0315","","","0.0685","0.0735","","","","","","1.027","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116208","23.26","0.0014","20.275","0.0011","8.2071","0.0004","90","","94.156","0.004","90","","3860.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H79 Au2 B2 F8 N14 O5 -","- C82 H79 Au2 B2 F8 N14 O5 -","- C164 H158 Au4 B4 F16 N28 O10 -","2","0.5","","Teng, Qiaoqiao; Huynh, Han Vinh","Controlled access to a heterometallic N-heterocyclic carbene helicate.","Chemical communications (Cambridge, England)","2014","51","7","1248","1251","10.1039/c4cc08270b","","","1.54178","CuKα","","0.1296","0.0794","","","0.17","0.1936","","","","","","1.072","","","","has coordinates,has disorder","180276","2020-10-21","18:00:00",""
"7116209","15.0076","0.0016","16.2066","0.0016","17.9512","0.0019","63.78","0.003","82.005","0.003","79.629","0.003","3844.1","0.7","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C82.5 H74.5 Au2 B Cl0.5 Co F4 N14 O4 -","- C82.25 H74.5 Au2 B Cl0.5 Co F4 N14 O4 -","- C164.5 H149 Au4 B2 Cl Co2 F8 N28 O8 -","2","1","","Teng, Qiaoqiao; Huynh, Han Vinh","Controlled access to a heterometallic N-heterocyclic carbene helicate.","Chemical communications (Cambridge, England)","2014","51","7","1248","1251","10.1039/c4cc08270b","","","0.71073","MoKα","","0.0767","0.0563","","","0.1493","0.1603","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7124548","40.9186","0.0005","12.999","0.0002","19.2466","0.0002","90","","116.184","0.001","90","","9186.8","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H78 F12 N10 O6 P2 Ru -","- C40 H42 F12 N10 P2 Ru -","- C320 H336 F96 N80 P16 Ru8 -","8","1","","Pal, Amlan K.; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emission from a mer-Ru(II) complex: consequences of strong σ-donation from a neutral, flexible ligand with dual binding modes.","Chemical communications (Cambridge, England)","2014","50","52","6846","6849","10.1039/c3cc49880h","","","1.54178","CuKα","","0.0472","0.0468","","","0.1295","0.1299","","","","","","1.038","","","","has coordinates","232602","2020-10-21","18:00:00",""
"7124549","12.3066","0.0001","12.6126","0.0002","32.4825","0.0004","90","","90","","90","","5041.88","0.11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H60 F18 N14 O P3 Ru -","- C41 H60 F18 N14 O P3 Ru -","- C164 H240 F72 N56 O4 P12 Ru4 -","4","1","","Pal, Amlan K.; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emission from a mer-Ru(II) complex: consequences of strong σ-donation from a neutral, flexible ligand with dual binding modes.","Chemical communications (Cambridge, England)","2014","50","52","6846","6849","10.1039/c3cc49880h","","","1.54178","CuKα","","0.0378","0.0367","","","0.0964","0.0978","","","","","","1.025","","","","has coordinates,has disorder","232602","2020-10-21","18:00:00",""
"7124550","6.677","0.0008","13.3668","0.0016","21.243","0.003","90","","90","","90","","1895.9","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Y6-pBr","","","- C24 H16 Br N O2 -","- C24 H16 Br N O2 -","- C96 H64 Br4 N4 O8 -","4","1","","Cook, Andrea M.; Wolf, Christian","Catalytic enantioselective nucleophilic addition of ynamides to aldehydes.","Chemical communications (Cambridge, England)","2014","50","24","3151","3154","10.1039/c4cc00394b","","","0.71073","MoKα","","0.0232","0.0211","","","0.0521","0.0525","","","","","","1.041","","","","has coordinates","232726","2020-10-21","18:00:00",""
"7124551","8.0022","0.001","7.1348","0.0009","16.892","0.002","90","","92.706","0.001","90","","963.4","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Y6-2nap","","","- C28 H19 N O2 -","- C28 H19 N O2 -","- C56 H38 N2 O4 -","2","1","","Cook, Andrea M.; Wolf, Christian","Catalytic enantioselective nucleophilic addition of ynamides to aldehydes.","Chemical communications (Cambridge, England)","2014","50","24","3151","3154","10.1039/c4cc00394b","","","0.71073","MoKα","","0.0323","0.0315","","","0.0876","0.0885","","","","","","1.031","","","","has coordinates","232726","2020-10-21","18:00:00",""
"7124552","10.1537","0.0008","10.8288","0.0008","16.3322","0.0013","95.387","0.003","107.295","0.003","94.714","0.003","1695.5","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Ce F15 N3 Si3 -","- C27 H27 Ce F15 N3 Si3 -","- C54 H54 Ce2 F30 N6 Si6 -","2","1","","Yin, Haolin; Robinson, Jerome R.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","κ²-Coordination of 18-crown-6 to Ce(III) cations: solution dynamics and reactivity.","Chemical communications (Cambridge, England)","2014","50","26","3470","3472","10.1039/c4cc00448e","","","0.71073","MoKα","","0.0325","0.029","","","0.0742","0.0752","","","","","","1.126","","","","has coordinates","232728","2020-10-21","18:00:00",""
"7124553","28.709","0.003","15.5294","0.0018","23.281","0.003","90","","111.149","0.005","90","","9680","2","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H51 Ce F15 N3 O6 Si3 -","- C39 H51 Ce F15 N3 O6 Si3 -","- C312 H408 Ce8 F120 N24 O48 Si24 -","8","1","","Yin, Haolin; Robinson, Jerome R.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","κ²-Coordination of 18-crown-6 to Ce(III) cations: solution dynamics and reactivity.","Chemical communications (Cambridge, England)","2014","50","26","3470","3472","10.1039/c4cc00448e","","","0.71073","MoKα","","0.0299","0.0255","","","0.0666","0.0739","","","","","","1.19","","","","has coordinates","232728","2020-10-21","18:00:00",""
"7124554","12.193","0.0016","18.164","0.003","40.779","0.006","90","","95.641","0.006","90","","8988","2","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H86 Ce2 F30 N6 O7 Si6 -","- C70 H86 Ce2 F30 N6 O7 Si6 -","- C280 H344 Ce8 F120 N24 O28 Si24 -","4","1","","Yin, Haolin; Robinson, Jerome R.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","κ²-Coordination of 18-crown-6 to Ce(III) cations: solution dynamics and reactivity.","Chemical communications (Cambridge, England)","2014","50","26","3470","3472","10.1039/c4cc00448e","","","0.71073","MoKα","","0.0448","0.041","","","0.0891","0.0904","","","","","","1.181","","","","has coordinates,has disorder","232728","2020-10-21","18:00:00",""
"7124555","30.08","0.003","13.5848","0.0012","26.176","0.002","90","","105.338","0.005","90","","10315.3","1.6","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H51 Ce F15 N5 Si3 -","- C45 H51 Ce F15 N5 Si3 -","- C360 H408 Ce8 F120 N40 Si24 -","8","1","","Yin, Haolin; Robinson, Jerome R.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","κ²-Coordination of 18-crown-6 to Ce(III) cations: solution dynamics and reactivity.","Chemical communications (Cambridge, England)","2014","50","26","3470","3472","10.1039/c4cc00448e","","","0.71073","MoKα","","0.1135","0.0867","","","0.2147","0.2302","","","","","","0.971","","","","has coordinates","232728","2020-10-21","18:00:00",""
"7124556","9.7741","0.0006","22.338","0.0012","8.2804","0.0005","90","","107.812","0.003","90","","1721.23","0.18","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 F5 K N O Si -","- C13 H19 F5 K N O Si -","- C52 H76 F20 K4 N4 O4 Si4 -","4","1","","Yin, Haolin; Robinson, Jerome R.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","κ²-Coordination of 18-crown-6 to Ce(III) cations: solution dynamics and reactivity.","Chemical communications (Cambridge, England)","2014","50","26","3470","3472","10.1039/c4cc00448e","","","0.71073","MoKα","","0.0417","0.039","","","0.1301","0.1334","","","","","","0.851","","","","has coordinates","232728","2020-10-21","18:00:00",""
"7124557","13.2973","0.0002","23.3659","0.0003","14.0359","0.0002","90","","103.471","0.001","90","","4241.02","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H38 Cl3 N6 Rh -","- C49 H36 Cl N6 Rh -","- C196 H144 Cl4 N24 Rh4 -","4","1","","Olguín, Juan; Müller-Bunz, Helge; Albrecht, Martin","Springloaded porphyrin NHC hybrid rhodium(III) complexes: carbene dissociation and oxidation catalysis.","Chemical communications (Cambridge, England)","2014","50","26","3488","3490","10.1039/c4cc00497c","","","0.71073","MoKα","","0.0436","0.0377","","","0.1002","0.1036","","","","","","1.073","","","","has coordinates","232731","2020-10-21","18:00:00",""
"7124558","9.6618","0.0001","17.3989","0.0002","25.1987","0.0003","90","","90","","90","","4236.02","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48.75 H35.5 Cl2.5 N6 Rh -","- C48.753 H35.506 Cl2.506 N6 Rh -","- C195.012 H142.024 Cl10.024 N24 Rh4 -","4","1","","Olguín, Juan; Müller-Bunz, Helge; Albrecht, Martin","Springloaded porphyrin NHC hybrid rhodium(III) complexes: carbene dissociation and oxidation catalysis.","Chemical communications (Cambridge, England)","2014","50","26","3488","3490","10.1039/c4cc00497c","","","0.71073","MoKα","","0.0363","0.0323","","","0.0801","0.0829","","","","","","1.077","","","","has coordinates","232731","2020-10-21","18:00:00",""
"7124559","15.1167","0.0002","19.9147","0.0002","17.2364","0.0002","90","","90.679","0.001","90","","5188.56","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C221 H181 Cl19 N32 Rh4 -","- C216 H176 Cl4 N32 Rh4 -","- C216 H176 Cl4 N32 Rh4 -","1","0.25","","Olguín, Juan; Müller-Bunz, Helge; Albrecht, Martin","Springloaded porphyrin NHC hybrid rhodium(III) complexes: carbene dissociation and oxidation catalysis.","Chemical communications (Cambridge, England)","2014","50","26","3488","3490","10.1039/c4cc00497c","","","0.71073","MoKα","","0.0461","0.038","","","0.1032","0.1086","","","","","","1.069","","","","has coordinates","232731","2020-10-21","18:00:00",""
"7124560","24.4801","0.001","24.4801","0.001","29.1304","0.0019","90","","90","","120","","15118.3","1.3","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H18 I6 O13 Zn4 -","- C42 H18 I6 O13 Zn4 -","- C252 H108 I36 O78 Zn24 -","6","0.333333","","Babarao, Ravichandar; Coghlan, Campbell J.; Rankine, Damien; Bloch, Witold M.; Gransbury, Gemma K.; Sato, Hiroshi; Kitagawa, Susumu; Sumby, Christopher J.; Hill, Matthew R.; Doonan, Christian J.","Does functionalisation enhance CO2 uptake in interpenetrated MOFs? An examination of the IRMOF-9 series.","Chemical communications (Cambridge, England)","2014","50","24","3238","3241","10.1039/c4cc00700j","","","0.71073","MoKα","","0.1047","0.0758","","","0.2237","0.2417","","","","","","1.043","","","","has coordinates,has disorder","232733","2020-10-21","18:00:00",""
"7124561","8.2193","0.0012","8.2471","0.0012","11.2596","0.0016","103.76","0.003","91.764","0.003","110.78","0.003","687.51","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C30 H28 N8 O4 -","2","1","","Alcaide, Benito; Almendros, Pedro; Alonso, José M; Fernández, Israel; Gómez-Campillos, Gonzalo; Torres, M. Rosario","A gold-catalysed imine-propargylamine cascade sequence: synthesis of 3-substituted-2,5-dimethylpyrazines and the reaction mechanism.","Chemical communications (Cambridge, England)","2014","50","35","4567","4570","10.1039/c4cc01485e","","","0.71073","MoKα","","0.0708","0.0389","","","0.0816","0.0902","","","","","","0.996","","","","has coordinates","232735","2020-10-21","18:00:00",""
"7124562","20.4119","0.0019","19.7938","0.0019","13.0487","0.0012","90","","90.374","0.0015","90","","5271.9","0.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Os(DOPO)2","Bis(2,4,6,8-tetra-tert-butyl-1,9-dioxophenoxazinato)osmium","","- C56 H76 N2 O6 Os -","- C56 H76 N2 O6 Os -","- C224 H304 N8 O24 Os4 -","4","1","","Cipressi, Jacqueline; Brown, Seth N.","Octahedral to trigonal prismatic distortion driven by subjacent orbital π antibonding interactions and modulated by ligand redox noninnocence.","Chemical communications (Cambridge, England)","2014","50","59","7956","7959","10.1039/c4cc03404j","","","0.71073","MoKα","","0.0331","0.0246","","","0.0536","0.0568","","","","","","1.03","","","","has coordinates","232736","2020-10-21","18:00:00",""
"7124563","59.4673","0.0019","21.5249","0.0006","19.0986","0.0005","90","","95.211","0.003","90","","24345.7","1.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Os(ONO)2 . 2 CHCl3","Bis[bis(3,5-di-tert-butyl-2-oxyphenyl)amido]osmium dichloroform solvate","","- C58 H82 Cl6 N2 O4 Os -","- C56.5 H80.5 Cl1.5 N2 O4 Os -","- C904 H1288 Cl24 N32 O64 Os16 -","16","2","","Cipressi, Jacqueline; Brown, Seth N.","Octahedral to trigonal prismatic distortion driven by subjacent orbital π antibonding interactions and modulated by ligand redox noninnocence.","Chemical communications (Cambridge, England)","2014","50","59","7956","7959","10.1039/c4cc03404j","","","1.54178","CuKα","","0.0689","0.0595","","","0.1458","0.1506","","","","","","1.055","","","","has coordinates","232736","2020-10-21","18:00:00",""
"7124564","20.3495","0.0011","19.7245","0.0011","12.9833","0.0007","90","","90.575","0.002","90","","5211","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(DOPO)2Ru","Bis(2,4,6,8-tetra-tert-butyl-1,9-dioxophenoxazinato)ruthenium","","- C56 H76 N2 O6 Ru -","- C56 H76 N2 O6 Ru -","- C224 H304 N8 O24 Ru4 -","4","1","","Cipressi, Jacqueline; Brown, Seth N.","Octahedral to trigonal prismatic distortion driven by subjacent orbital π antibonding interactions and modulated by ligand redox noninnocence.","Chemical communications (Cambridge, England)","2014","50","59","7956","7959","10.1039/c4cc03404j","","","0.71073","MoKα","","0.0629","0.0378","","","0.0843","0.0951","","","","","","1.026","","","","has coordinates","232736","2020-10-21","18:00:00",""
"7124565","14.2714","0.0016","20.573","0.002","41.187","0.005","90","","93.0881","0.0017","90","","12075","2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ru(ONO)2 . CHCl3 . 1.31 CH3CN","Bis[bis(3,5-di-tert-butyl-2-oxyphenyl)amido]ruthenium mixed chloroform/acetonitrile solvate","","- C59.62 H84.93 Cl3 N3.31 O4 Ru -","- C59.62 H84.93 Cl3 N3.31 O4 Ru -","- C476.96 H679.44 Cl24 N26.48 O32 Ru8 -","8","2","","Cipressi, Jacqueline; Brown, Seth N.","Octahedral to trigonal prismatic distortion driven by subjacent orbital π antibonding interactions and modulated by ligand redox noninnocence.","Chemical communications (Cambridge, England)","2014","50","59","7956","7959","10.1039/c4cc03404j","","","0.71073","MoKα","","0.0598","0.0478","","","0.1229","0.131","","","","","","1.034","","","","has coordinates,has disorder","232736","2020-10-21","18:00:00",""
"7124566","11.2927","0.001","10.9965","0.001","13.6864","0.0013","90","","107.263","0.003","90","","1623","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 B O3 -","- C19 H21 B O3 -","- C76 H84 B4 O12 -","4","1","","Ye, Weimin; Li, Wenbo; Zhang, Junliang","A metal-free dyotropic-like rearrangement of 2-oxa allylic alcohols in the presence of organoboronic acids.","Chemical communications (Cambridge, England)","2014","50","69","9879","9882","10.1039/c4cc03450c","","","0.71073","MoKα","","0.1693","0.1364","","","0.3608","0.3979","","","","","","1.093","","","","has coordinates","232739","2020-10-21","18:00:00",""
"7124567","8.3942","0.0003","12.6829","0.0004","14.0136","0.0004","90","","95.074","0.003","90","","1486.08","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 B F2 N3 -","- C15 H18 B F2 N3 -","- C60 H72 B4 F8 N12 -","4","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Meso enamine substituted BODIPYs.","Chemical communications (Cambridge, England)","2014","50","65","9119","9121","10.1039/c4cc03857f","","","1.5418","CuKα","","0.0606","0.055","","","0.1567","0.1627","","","","","","1.044","","","","has coordinates","232742","2020-10-21","18:00:00",""
"7124568","9.2376","0.0016","14.714","0.0012","15.929","0.003","90","","127.73","0.03","90","","1712.4","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 B F2 N3 -","- C17 H22 B F2 N3 -","- C68 H88 B4 F8 N12 -","4","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Meso enamine substituted BODIPYs.","Chemical communications (Cambridge, England)","2014","50","65","9119","9121","10.1039/c4cc03857f","","","0.71073","MoKα","","0.0632","0.0515","","","0.1262","0.1352","","","","","","1.108","","","","has coordinates","232742","2020-10-21","18:00:00",""
"7124569","11.1777","0.0008","11.3773","0.0005","14.4649","0.0009","90","","109.83","0.008","90","","1730.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 B F2 N3 -","- C17 H22 B F2 N3 -","- C68 H88 B4 F8 N12 -","4","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Meso enamine substituted BODIPYs.","Chemical communications (Cambridge, England)","2014","50","65","9119","9121","10.1039/c4cc03857f","","","0.71073","MoKα","","0.0979","0.055","","","0.1179","0.1443","","","","","","1.02","","","","has coordinates","232742","2020-10-21","18:00:00",""
"7124570","7.8218","0.0004","23.1144","0.0009","8.5337","0.0004","90","","110.867","0.006","90","","1441.66","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 B F2 N3 -","- C16 H18 B F2 N3 -","- C64 H72 B4 F8 N12 -","4","1","","Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","Meso enamine substituted BODIPYs.","Chemical communications (Cambridge, England)","2014","50","65","9119","9121","10.1039/c4cc03857f","","","0.71073","MoKα","","0.0445","0.0374","","","0.0857","0.0889","","","","","","1.127","","","","has coordinates","232742","2020-10-21","18:00:00",""
"7124571","37.227","0.006","11.083","0.002","17.571","0.003","90","","113.31","0.02","90","","6658","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 F12 N8 P2 Ru -","- C28 H22 F12 N8 P2 Ru -","- C224 H176 F96 N64 P16 Ru8 -","8","1","","Kumar, Anup; Chhatwal, Megha; Singh, Alok Kumar; Singh, Vikram; Trivedi, Manoj","A fast and selective probe for monitoring Pd(2+) in aqueous medium via the dual-optical readout.","Chemical communications (Cambridge, England)","2014","50","62","8488","8490","10.1039/c4cc03891f","","","0.71073","MoKα","","0.1301","0.0893","","","0.2453","0.2761","","","","","","1.116","","","","has coordinates","232745","2020-10-21","18:00:00",""
"7124572","17.47","0.004","22.87","0.003","20.832","0.003","90","","106.24","0.02","90","","7991","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl2 F12 N8 P2 Pd Ru -","- C28 H22 Cl2 F12 N8 P2 Pd Ru -","- C224 H176 Cl16 F96 N64 P16 Pd8 Ru8 -","8","2","","Kumar, Anup; Chhatwal, Megha; Singh, Alok Kumar; Singh, Vikram; Trivedi, Manoj","A fast and selective probe for monitoring Pd(2+) in aqueous medium via the dual-optical readout.","Chemical communications (Cambridge, England)","2014","50","62","8488","8490","10.1039/c4cc03891f","","","0.71073","MoKα","","0.406","0.2242","","","0.4353","0.5349","","","","","","1.112","","","","has coordinates","232745","2020-10-21","18:00:00",""
"7124573","9.1556","0.0002","10.8229","0.0002","17.9774","0.0003","90","","99.33","0.002","90","","1757.82","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","tetrakis(N-methylimidazole) palladium(II) bistriflimide","tetrakis(N-methylimidazole) palladium(II) bis(trifluoromethyl)sulfonyl imide","","- C20 H24 F12 N10 O8 Pd S4 -","- C20 H24 F12 N10 O8 Pd S4 -","- C40 H48 F24 N20 O16 Pd2 S8 -","2","0.5","","Schaltin, Stijn; Brooks, Neil R.; Sniekers, Jeroen; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan","Electrodeposition of thick palladium coatings from a palladium(II)-containing ionic liquid.","Chemical communications (Cambridge, England)","2014","50","71","10248","10250","10.1039/c4cc04079a","","","0.71073","MoKα","","0.0311","0.0256","","","0.0574","0.0615","","","","","","1.033","","","","has coordinates,has disorder","232747","2020-10-21","18:00:00",""
"7124574","8.8459","0.0005","9.1693","0.0006","14.3228","0.0009","92.776","0.005","106.337","0.005","113.37","0.006","1006.34","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","tetrakis(N-ethylimidazole) palladium(II) bistriflimide","tetrakis(N-ethylimidazole) palladium(II) bis(trifluoromethyl)sulfonyl imide","","- C24 H32 F12 N10 O8 Pd S4 -","- C24 H32 F12 N10 O8 Pd S4 -","- C24 H32 F12 N10 O8 Pd S4 -","1","0.5","","Schaltin, Stijn; Brooks, Neil R.; Sniekers, Jeroen; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan","Electrodeposition of thick palladium coatings from a palladium(II)-containing ionic liquid.","Chemical communications (Cambridge, England)","2014","50","71","10248","10250","10.1039/c4cc04079a","","","0.71073","MoKα","","0.0254","0.024","","","0.0573","0.0581","","","","","","1.031","","","","has coordinates,has disorder","232747","2020-10-21","18:00:00",""
"7124575","10.2427","0.0008","11.3109","0.0005","15.6582","0.0009","90","","90.056","0.006","90","","1814.07","0.19","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","bis(N-methylimidazole) bis(N-ethylimidazole) palladium(II) bistriflimide","bis(N-methylimidazole) bis(N-ethylimidazole) palladium(II) bis(trifluoromethyl)sulfonyl imide","","- C22 H28 F12 N10 O8 Pd S4 -","- C22 H28 F12 N10 O8 Pd S4 -","- C44 H56 F24 N20 O16 Pd2 S8 -","2","0.5","","Schaltin, Stijn; Brooks, Neil R.; Sniekers, Jeroen; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan","Electrodeposition of thick palladium coatings from a palladium(II)-containing ionic liquid.","Chemical communications (Cambridge, England)","2014","50","71","10248","10250","10.1039/c4cc04079a","","","0.71073","MoKα","","0.0493","0.0365","","","0.0873","0.0978","","","","","","1.089","","","","has coordinates,has disorder","232747","2020-10-21","18:00:00",""
"7124576","14.33","0.006","7.584","0.003","10.513","0.003","90","","97.029","0.016","90","","1134","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Fe P -","- C12 H15 Fe P -","- C48 H60 Fe4 P4 -","4","1","","Rabiee Kenaree, Amir; Berven, Bradley M.; Ragogna, Paul J.; Gilroy, Joe B.","Highly-metallized phosphonium polyelectrolytes.","Chemical communications (Cambridge, England)","2014","50","73","10714","10717","10.1039/c4cc05296j","","","0.71073","MoKα","","0.0709","0.0398","","","0.1025","0.1315","","","","","","1.12","","","","has coordinates,has disorder","232750","2020-10-21","18:00:00",""
"7124577","5.7236","0.0013","9.91","0.003","35.994","0.011","90","","90.579","0.012","90","","2041.5","1","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Fe2 P -","- C24 H22 Fe2 P -","- C96 H88 Fe8 P4 -","4","1","","Rabiee Kenaree, Amir; Berven, Bradley M.; Ragogna, Paul J.; Gilroy, Joe B.","Highly-metallized phosphonium polyelectrolytes.","Chemical communications (Cambridge, England)","2014","50","73","10714","10717","10.1039/c4cc05296j","","","0.71073","MoKα","","0.0819","0.0573","","","0.1198","0.1286","","","","","","1.14","","","","has coordinates,has disorder","232750","2020-10-21","18:00:00",""
"7124578","11.1849","0.0005","11.6315","0.0004","11.8872","0.0005","85.18","0.001","82.117","0.001","74.999","0.001","1477.77","0.1","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H39 Fe3 P -","- C36 H39 Fe3 P -","- C72 H78 Fe6 P2 -","2","1","","Rabiee Kenaree, Amir; Berven, Bradley M.; Ragogna, Paul J.; Gilroy, Joe B.","Highly-metallized phosphonium polyelectrolytes.","Chemical communications (Cambridge, England)","2014","50","73","10714","10717","10.1039/c4cc05296j","","","0.71073","MoKα","","0.0432","0.0336","","","0.0949","0.1018","","","","","","0.949","","","","has coordinates","232750","2020-10-21","18:00:00",""
"7124579","7.342","0.008","29.84","0.04","17.17","0.019","90","","106.475","0.019","90","","3607","7","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 B F4 Fe3 O P -","- C39 H46 B F4 Fe3 O P -","- C156 H184 B4 F16 Fe12 O4 P4 -","4","1","","Rabiee Kenaree, Amir; Berven, Bradley M.; Ragogna, Paul J.; Gilroy, Joe B.","Highly-metallized phosphonium polyelectrolytes.","Chemical communications (Cambridge, England)","2014","50","73","10714","10717","10.1039/c4cc05296j","","","0.71073","MoKα","","0.0869","0.0582","","","0.138","0.1522","","","","","","1.031","","","","has coordinates","232750","2020-10-21","18:00:00",""
"7124580","15.1845","0.0004","13.7904","0.0004","16.3311","0.0004","90","","104.673","0.001","90","","3308.2","0.15","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 2/c 1","-P 2yc","13","","","","- C11 H21 N6 O5 P -","- C11 H21 N6 O5 P -","- C88 H168 N48 O40 P8 -","8","2","","Čechová, L; Procházková, E; Císařová, I; Dračínský, M; Janeba, Z.","Separation of planar rotamers through intramolecular hydrogen bonding in polysubstituted 5-nitrosopyrimidines.","Chemical communications (Cambridge, England)","2014","50","94","14892","14895","10.1039/c4cc06978a","","","0.71073","MoKα","","0.0893","0.0683","","","0.1865","0.2055","","","","","","1.039","","","","has coordinates,has disorder","232753","2020-10-21","18:00:00",""
"7124581","8.5829","0.0002","10.48","0.0003","11.4529","0.0003","113.412","0.001","92.8654","0.0011","108.217","0.001","879.87","0.04","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C11 H23 N6 O6 P -","- C11 H23 N6 O6 P -","- C22 H46 N12 O12 P2 -","2","1","","Čechová, L; Procházková, E; Císařová, I; Dračínský, M; Janeba, Z.","Separation of planar rotamers through intramolecular hydrogen bonding in polysubstituted 5-nitrosopyrimidines.","Chemical communications (Cambridge, England)","2014","50","94","14892","14895","10.1039/c4cc06978a","","","0.71073","MoKα","","0.0559","0.0463","","","0.1128","0.1188","","","","","","1.041","","","","has coordinates,has disorder","232753","2020-10-21","18:00:00",""
"7125601","24.7894","0.001","14.3443","0.0008","25.929","0.0011","90","","90","","90","","9220","0.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H92 Cu4 Dy4 N12 O46 -","- C72 H92 Cu4 Dy4 N12 O46 -","- C288 H368 Cu16 Dy16 N48 O184 -","4","0.5","","Kühne, Irina A; Magnani, Nicola; Mereacre, Valeriu; Wernsdorfer, Wolfgang; Anson, Christopher E.; Powell, Annie K.","An octanuclear {Cu(II)4Dy(III)4} coordination cluster showing single molecule magnet behaviour from field accessible states.","Chemical communications (Cambridge, England)","2014","50","15","1882","1885","10.1039/c3cc46458j","","","0.71073","MoKα","","0.0687","0.0566","","","0.1363","0.1428","","","","","","1","","","","has coordinates","244388","2020-10-21","18:00:00",""
"7125602","24.8476","0.0009","14.0945","0.0004","25.6548","0.0008","90","","90","","90","","8984.7","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70.4 H88.8 Cu4 N12 O46 Y4 -","- C70.4 H88.8 Cu4 N12 O46 Y4 -","- C281.6 H355.2 Cu16 N48 O184 Y16 -","4","0.5","","Kühne, Irina A; Magnani, Nicola; Mereacre, Valeriu; Wernsdorfer, Wolfgang; Anson, Christopher E.; Powell, Annie K.","An octanuclear {Cu(II)4Dy(III)4} coordination cluster showing single molecule magnet behaviour from field accessible states.","Chemical communications (Cambridge, England)","2014","50","15","1882","1885","10.1039/c3cc46458j","","","0.71073","MoKα","","0.0785","0.0642","","","0.1481","0.1557","","","","","","1.099","","","","has coordinates,has disorder","244388","2020-10-21","18:00:00",""
"7125603","10.4535","0.0019","18.918","0.004","17.278","0.003","90","","100.905","0.005","90","","3355.2","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cd Cl8 N6 O26 -","- C48 H30 Cd N6 O14 -","- C96 H60 Cd2 N12 O28 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","Modulation of breathing behavior of layered coordination polymers via a solid solution approach: the influence of metal ions on sorption behavior.","Chemical communications (Cambridge, England)","2014","50","6","670","672","10.1039/c3cc48020h","","","0.71073","MoKα","","0.0876","0.058","","","0.147","0.1598","","","","","","0.958","","","","has coordinates","244389","2020-10-21","18:00:00",""
"7125604","10.3591","0.0004","19.0085","0.0008","16.9399","0.0007","90","","101.516","0.001","90","","3268.5","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 Cd Cl6 F12 N6 O20 P2 -","- C52 H32 Cd Cl6 F12 N6 O20 P2 -","- C104 H64 Cd2 Cl12 F24 N12 O40 P4 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","Modulation of breathing behavior of layered coordination polymers via a solid solution approach: the influence of metal ions on sorption behavior.","Chemical communications (Cambridge, England)","2014","50","6","670","672","10.1039/c3cc48020h","","","0.71073","MoKα","","0.0942","0.0871","","","0.2834","0.2887","","","","","","2.526","","","","has coordinates","244389","2020-10-21","18:00:00",""
"7125605","10.321","0.003","18.735","0.005","17.405","0.004","90","","99.987","0.007","90","","3314.5","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cl8 N6 O26 Zn -","- C48 H30 N6 O14 Zn -","- C96 H60 N12 O28 Zn2 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","Modulation of breathing behavior of layered coordination polymers via a solid solution approach: the influence of metal ions on sorption behavior.","Chemical communications (Cambridge, England)","2014","50","6","670","672","10.1039/c3cc48020h","","","0.71073","MoKα","","0.1484","0.0877","","","0.2051","0.2257","","","","","","1.01","","","","has coordinates","244389","2020-10-21","18:00:00",""
"7125606","10.391","0.002","18.819","0.004","17.351","0.004","90","","100.537","0.006","90","","3335.7","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cd0.6 Cl8 N6 O26 Zn0.4 -","- C48 H30 Cd0.6 N6 O14 Zn0.4 -","- C96 H60 Cd1.2 N12 O28 Zn0.8 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","Modulation of breathing behavior of layered coordination polymers via a solid solution approach: the influence of metal ions on sorption behavior.","Chemical communications (Cambridge, England)","2014","50","6","670","672","10.1039/c3cc48020h","","","0.71073","MoKα","","0.1087","0.0674","","","0.1626","0.1754","","","","","","0.98","","","","has coordinates","244389","2020-10-21","18:00:00",""
"7125607","21.853","0.002","23.682","0.002","28.76","0.003","90","","100.782","0.002","90","","14621","2","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C117 H110 Cu2 F60 N8 O32 Tb2 -","- C110 H94 Cu2 F60 N8 O32 Tb2 -","- C440 H376 Cu8 F240 N32 O128 Tb8 -","4","1","","Zhu, Mei; Mei, Xuelan; Ma, Yue; Li, Licun; Liao, Daizheng; Sutter, Jean-Pascal","Nitronyl nitroxide-metal complexes as metallo-ligands for the construction of hetero-tri-spin (2p-3d-4f) chains.","Chemical communications (Cambridge, England)","2014","50","15","1906","1908","10.1039/c3cc48110g","","","0.71073","MoKα","","0.0391","0.0343","","","0.0836","0.0864","","","","","","1.043","","","","has coordinates,has disorder","244390","2020-10-21","18:00:00",""
"7125608","19.973","0.005","19.983","0.004","21.679","0.004","90.959","0.002","107.219","0.002","114.941","0.004","7393","3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C115 H97 Cu F66 N8 O35 Tb3 -","- C115 H95 Cu F66 N8 O34 Tb3 -","- C230 H190 Cu2 F132 N16 O68 Tb6 -","2","1","","Zhu, Mei; Mei, Xuelan; Ma, Yue; Li, Licun; Liao, Daizheng; Sutter, Jean-Pascal","Nitronyl nitroxide-metal complexes as metallo-ligands for the construction of hetero-tri-spin (2p-3d-4f) chains.","Chemical communications (Cambridge, England)","2014","50","15","1906","1908","10.1039/c3cc48110g","","","0.71073","MoKα","","0.0732","0.0607","","","0.1243","0.1318","","","","","","1.09","","","","has coordinates,has disorder","244390","2020-10-21","18:00:00",""
"7125609","7.491","0.003","15.386","0.006","11.226","0.004","90","","90","","90","","1293.9","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H13 Mn N O5 -","- C12 H13 Mn N O5 -","- C48 H52 Mn4 N4 O20 -","4","1","","Tian, Chong-Bin; Chen, Rui-Ping; He, Chao; Li, Wei-Jin; Wei, Qi; Zhang, Xu-Dong; Du, Shao-Wu","Reversible crystal-to-amorphous-to-crystal phase transition and a large magnetocaloric effect in a spongelike metal organic framework material.","Chemical communications (Cambridge, England)","2014","50","15","1915","1917","10.1039/c3cc48325h","","","0.71073","MoKα","","0.0335","0.0328","","","0.0839","0.0848","","","","","","1.018","","","","has coordinates","244391","2020-10-21","18:00:00",""
"7125610","28.3035","0.0007","28.3035","0.0007","28.3035","0.0007","90","","90","","90","","22673.6","1","150","2","150","2","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","","","","- C78 H96 O18 Pb -","- C78 H96 O18 Pb -","- C624 H768 O144 Pb8 -","8","0.166667","","Adhikari, Birendra Babu; Ohto, Keisuke; Schramm, Michael P.","p-tert-Butylcalix[6]arene hexacarboxylic acid conformational switching and octahedral coordination with Pb(II) and Sr(II).","Chemical communications (Cambridge, England)","2014","50","15","1903","1905","10.1039/c3cc48465c","","","0.71073","MoKα","","0.0678","0.0424","","","0.1243","0.1378","","","","","","1.08","","","","has coordinates","244392","2020-10-21","18:00:00",""
"7125611","32.632","0.007","8.9933","0.0018","24.821","0.005","90","","94.39","0.03","90","","7263","3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H112 N8 Ni2 O3 -","- C75 H112 N8 Ni2 O3 -","- C300 H448 N32 Ni8 O12 -","4","0.5","","Leconte, N.; Ciccione, J.; Gellon, G.; Philouze, C.; Thomas, F.","Unprecedented redox-driven ligand ejection in nickel(II)-diiminosemiquinonate radical complexes.","Chemical communications (Cambridge, England)","2014","50","15","1918","1920","10.1039/c3cc48549h","","x-ray","0.71073","MoKα","","0.0889","0.0572","","","0.1228","0.1346","","","","","","1.1","","","","has coordinates,has disorder","244393","2020-10-21","18:00:00",""
"7125612","13.686","0.003","23.219","0.005","23.157","0.005","90","","96.26","0.03","90","","7315","3","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H110 N8 Ni -","- C78 H110 N8 Ni -","- C312 H440 N32 Ni4 -","4","1","","Leconte, N.; Ciccione, J.; Gellon, G.; Philouze, C.; Thomas, F.","Unprecedented redox-driven ligand ejection in nickel(II)-diiminosemiquinonate radical complexes.","Chemical communications (Cambridge, England)","2014","50","15","1918","1920","10.1039/c3cc48549h","","x-ray","0.71073","MoKα","","0.1415","0.0551","","","0.1194","0.1466","","","","","","1.025","","","","has coordinates,has disorder","244393","2020-10-21","18:00:00",""
"7125613","15.535","0.004","12.555","0.003","15.636","0.004","90","","104.005","0.005","90","","2959","1.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Eu N2 O17 -","- C28 H14 Eu N2 O17 -","- C112 H56 Eu4 N8 O68 -","4","1","","Zhu, Min; Hao, Zhao-Min; Song, Xue-Zhi; Meng, Xing; Zhao, Shu-Na; Song, Shu-Yan; Zhang, Hong-Jie","A new type of double-chain based 3D lanthanide(III) metal-organic framework demonstrating proton conduction and tunable emission.","Chemical communications (Cambridge, England)","2014","50","15","1912","1914","10.1039/c3cc48764d","","","0.71073","MoKα","","0.0363","0.0296","","","0.0822","0.086","","","","","","1.032","","","","has coordinates","244394","2020-10-21","18:00:00",""
"7125614","14.4327","0.0003","14.6585","0.0003","17.8114","0.0004","82.841","0.0011","74.731","0.001","68.234","0.001","3374.5","0.13","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H90 K N7 -","- C72 H90 K N7 -","- C144 H180 K2 N14 -","2","1","","Bezuidenhout, Daniela I.; Kleinhans, George; Guisado-Barrios, Gregorio; Liles, David C.; Ung, Gaël; Bertrand, Guy","Isolation of a potassium bis(1,2,3-triazol-5-ylidene)carbazolide: a stabilizing pincer ligand for reactive late transition metal complexes.","Chemical communications (Cambridge, England)","2014","50","19","2431","2433","10.1039/c3cc49385g","","","1.54178","CuKα","","0.0647","0.0519","","","0.1348","0.142","","","","","","1.058","","","","has coordinates,has disorder","244395","2020-10-21","18:00:00",""
"7153554","7.607","0.0015","16.348","0.003","9.994","0.002","90","","110.8","0.03","90","","1161.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Guo, Jiajia; Sun, Xiaoyang; Yu, Shouyun","Diastereoselective synthesis of epoxide-fused benzoquinolizidine derivatives using intramolecular domino aza-Michael addition/Darzens reaction.","Organic & biomolecular chemistry","2014","12","2","265","268","10.1039/c3ob42068j","","","0.71073","MoKα","","0.1212","0.0664","","","0.1603","0.1895","","","","","","1","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153555","9.846","0.0005","26.3882","0.0014","7.7624","0.0004","90","","105.68","0.001","90","","1941.76","0.17","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 -","- C26 H19 N3 -","- C104 H76 N12 -","4","1","","Zhou, Wang; Yang, Youqing; Wang, Zhiwei; Deng, Guo-Jun","Rhodium-catalyzed intermolecular hydroarylation of internal alkynes with N-1-phenylbenzotriazoles.","Organic & biomolecular chemistry","2014","12","2","251","254","10.1039/c3ob42007h","","","0.71073","MoKα","","0.0396","0.0379","","","0.1069","0.108","","","","","","1.028","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153556","14.5336","0.0005","6.3146","0.0002","15.7054","0.0006","90","","108.49","0.002","90","","1366.94","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3736-D4","","","- C17 H11 Br N2 O -","- C17 H11 Br N2 O -","- C68 H44 Br4 N8 O4 -","4","1","","Zhang, Xiaofei; He, Qian; Xiang, Haoyue; Song, Shanshan; Miao, Zehong; Yang, Chunhao","Rapid access to α-carbolines via a one-pot tandem reaction of α,β-unsaturated ketones with 2-nitrophenylacetonitrile and the anti-proliferative activities of the products.","Organic & biomolecular chemistry","2014","12","2","355","361","10.1039/c3ob41921e","","","0.71073","MoKα","","0.0546","0.0328","","","0.0729","0.0809","","","","","","1.021","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153557","4.8242","0.0017","12.372","0.004","12.693","0.005","104.81","0.02","95.57","0.02","90.93","0.02","728.3","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C38 H32 N4 -","2","1","","Zhang, Xiaofei; He, Qian; Xiang, Haoyue; Song, Shanshan; Miao, Zehong; Yang, Chunhao","Rapid access to α-carbolines via a one-pot tandem reaction of α,β-unsaturated ketones with 2-nitrophenylacetonitrile and the anti-proliferative activities of the products.","Organic & biomolecular chemistry","2014","12","2","355","361","10.1039/c3ob41921e","","","0.71073","MoKα","","0.0681","0.0449","","","0.1149","0.1271","","","","","","1.186","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153558","25.6423","0.0013","6.0433","0.0003","16.8338","0.0009","90","","108.536","0.002","90","","2473.3","0.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H21 O3.5 -","- C12 H21 O3.5 -","- C96 H168 O28 -","8","1","","Duplan, Vincent; Serba, Christelle; Garcia, Jose; Valot, Gaëlle; Barluenga, Sofia; Hoerlé, Mélanie; Cuendet, Muriel; Winssinger, Nicolas","Synthesis of sesquiterpene-inspired derivatives designed for covalent binding and their inhibition of the NF-κB pathway.","Organic & biomolecular chemistry","2014","12","2","370","375","10.1039/c3ob42049c","","","0.71073","MoKα","","0.0565","0.0386","","","0.0952","0.1034","","","","","","1.011","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7153559","10.3743","0.0016","12.098","0.002","11.1576","0.0018","90","","105.03","0.017","90","","1352.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H33 N4 O2 -","- C30 H33 N4 O2 -","- C60 H66 N8 O4 -","2","1","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","5,10-Diacylcalix[4]pyrroles: synthesis and anion binding studies.","Organic & biomolecular chemistry","2014","12","2","278","285","10.1039/c3ob41966e","","","0.71073","MoKα","","0.0885","0.048","","","0.0954","0.105","","","","","","0.894","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153560","8.37","0.02","10.24","0.03","10.52","0.03","95.85","0.05","110.15","0.04","112.75","0.04","751","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","2","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","5,10-Diacylcalix[4]pyrroles: synthesis and anion binding studies.","Organic & biomolecular chemistry","2014","12","2","278","285","10.1039/c3ob41966e","","","0.71073","MoKα","","0.2386","0.1007","","","0.2831","0.3458","","","","","","1.271","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153561","8.4855","0.0012","10.2487","0.0012","11.0122","0.0013","87.534","0.01","76.273","0.011","85.501","0.011","927.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O2 -","- C20 H23 N3 O2 -","- C40 H46 N6 O4 -","2","1","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","5,10-Diacylcalix[4]pyrroles: synthesis and anion binding studies.","Organic & biomolecular chemistry","2014","12","2","278","285","10.1039/c3ob41966e","","","0.71073","MoKα","","0.3197","0.0899","","","0.1314","0.2119","","","","","","0.941","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153562","24.9384","0.0019","12.5149","0.0009","26.26","0.002","90","","111.146","0.002","90","","7643.9","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C153 H154 Cl14 Ir4 N8 O12 -","- C153 H154 Cl14 Ir4 N8 O12 -","- C306 H308 Cl28 Ir8 N16 O24 -","2","0.5","","Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A.","Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands.","Organic & biomolecular chemistry","2014","12","2","286","297","10.1039/c3ob41354c","","","0.71073","MoKα","","0.118","0.0739","","","0.189","0.2092","","","","","","1.002","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153563","32.2169","0.001","32.2169","0.001","20.2356","0.0013","90","","90","","120","","18189.2","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C37 H36 Cl N2 O3 Rh -","- C37 H36 Cl N2 O3 Rh -","- C666 H648 Cl18 N36 O54 Rh18 -","18","1","","Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A.","Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands.","Organic & biomolecular chemistry","2014","12","2","286","297","10.1039/c3ob41354c","","","0.71073","MoKα","","0.1191","0.0472","","","0.0838","0.0877","","","","","","0.994","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153564","19.8758","0.0013","12.678","0.0009","23.5977","0.0016","90","","94.222","0.001","90","","5930.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 Cl4 Ir2 N3 O2 -","- C52 H53 Cl4 Ir2 N3 O2 -","- C208 H212 Cl16 Ir8 N12 O8 -","4","1","","Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A.","Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands.","Organic & biomolecular chemistry","2014","12","2","286","297","10.1039/c3ob41354c","","","0.71073","MoKα","","0.0789","0.0487","","","0.1308","0.1426","","","","","","0.999","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153565","23.252","0.003","8.8725","0.001","16.3422","0.0018","90","","90","","90","","3371.5","0.7","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H37 Cl3 N2 S -","- C37 H37 Cl3 N2 S -","- C148 H148 Cl12 N8 S4 -","4","1","","Lash, Timothy D.; El-Beck, Jessica A; Ferrence, Gregory M.","Synthesis, structural characterization and reactivity of heteroazuliporphyrins.","Organic & biomolecular chemistry","2014","12","2","316","329","10.1039/c3ob41992d","","x-ray","0.71073","MoKα","","0.0861","0.0537","","","","0.1317","","","","","","1.017","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153566","8.1545","0.0007","26.714","0.002","15.641","0.0014","90","","104.854","0.001","90","","3293.4","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 Cl3 N2 Se -","- C37 H37 Cl3 N2 Se -","- C148 H148 Cl12 N8 Se4 -","4","1","","Lash, Timothy D.; El-Beck, Jessica A; Ferrence, Gregory M.","Synthesis, structural characterization and reactivity of heteroazuliporphyrins.","Organic & biomolecular chemistry","2014","12","2","316","329","10.1039/c3ob41992d","","x-ray","0.71073","MoKα","","0.0639","0.0438","","","","0.1089","","","","","","1.019","","","","has coordinates","192777","2020-10-21","18:00:00",""
"7153567","12.8346","0.0013","7.4175","0.0009","17.3968","0.0016","90","","90","","90","","1656.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Br N2 O2 -","- C7 H5 Br N2 O2 -","- C56 H40 Br8 N16 O16 -","8","1","","Lone, Ali Mohd; Bhat, Bilal Ahmad","Metal free stereoselective synthesis of functionalized enamides.","Organic & biomolecular chemistry","2014","12","2","242","246","10.1039/c3ob41847b","","","0.71073","MoKα","","0.0754","0.0437","","","0.0936","0.1071","","","","","","1.051","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153568","12.2611","0.0011","18.2064","0.0013","17.7004","0.0019","90","","100.734","0.004","90","","3882.1","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Cl2 N10 O13 -","- C36 H38 Cl2 N10 O13 -","- C144 H152 Cl8 N40 O52 -","4","0.5","","Caio, João M; Esteves, Teresa; Carvalho, Silvia; Moiteiro, Cristina; Félix, Vítor","Azacalix[2]arene[2]triazine-based receptors bearing carboxymethyl pendant arms on nitrogen bridges: synthesis and evaluation of their coordination ability towards copper(II).","Organic & biomolecular chemistry","2014","12","4","589","599","10.1039/c3ob42047g","","x-ray","0.71073","MoKα","","0.0725","0.0444","","","0.1005","0.1131","","","","","","1.017","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153569","10.6377","0.0004","12.7007","0.0005","15.6556","0.0007","96.879","0.002","90.055","0.002","106.439","0.002","2012.75","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N12 O9 -","- C38 H48 N12 O9 -","- C76 H96 N24 O18 -","2","1","","Caio, João M; Esteves, Teresa; Carvalho, Silvia; Moiteiro, Cristina; Félix, Vítor","Azacalix[2]arene[2]triazine-based receptors bearing carboxymethyl pendant arms on nitrogen bridges: synthesis and evaluation of their coordination ability towards copper(II).","Organic & biomolecular chemistry","2014","12","4","589","599","10.1039/c3ob42047g","","x-ray","0.71073","MoKα","","0.0854","0.0642","","","0.1894","0.2073","","","","","","1.04","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153570","11.5804","0.0007","14.7466","0.0009","29.1684","0.0019","90","","90.758","0.002","90","","4980.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H66 Cl6 N12 -","- C44 H66 Cl6 N12 -","- C176 H264 Cl24 N48 -","4","1","","Caio, João M; Esteves, Teresa; Carvalho, Silvia; Moiteiro, Cristina; Félix, Vítor","Azacalix[2]arene[2]triazine-based receptors bearing carboxymethyl pendant arms on nitrogen bridges: synthesis and evaluation of their coordination ability towards copper(II).","Organic & biomolecular chemistry","2014","12","4","589","599","10.1039/c3ob42047g","","x-ray","0.71073","MoKα","","0.0946","0.0579","","","0.167","0.2046","","","","","","1.054","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153571","9.2088","0.0003","11.1545","0.0003","13.3119","0.0005","90","","106.479","0.003","90","","1311.23","0.08","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H26 Br N O5 -","- C29 H26 Br N O5 -","- C58 H52 Br2 N2 O10 -","2","1","","Ramachary, Dhevalapally B.; Prasad, M. Shiva; Laxmi, S. Vijaya; Madhavachary, R.","Asymmetric synthesis of drug-like spiro[chroman-3,3'-indolin]-2'-ones through aminal-catalysis.","Organic & biomolecular chemistry","2014","12","4","574","580","10.1039/c3ob42100g","","","1.54184","CuKα","","0.0444","0.0404","","","0.1073","0.1134","","","","","","0.819","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153572","37.981","0.008","3.8785","0.0008","11.276","0.002","90","","97.157","0.003","90","","1648.1","0.6","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 F2 O -","- C10 H8 F2 O -","- C80 H64 F16 O8 -","8","1","","Zhang, He; Lin, Jin-Hong; Xiao, Ji-Chang; Gu, Yu-Cheng","Rh-catalyzed allylic C-F bond activation: the stereoselective synthesis of trisubstituted monofluoroalkenes and a mechanism study.","Organic & biomolecular chemistry","2014","12","4","581","588","10.1039/c3ob42038h","","","0.71073","MoKα","","0.0601","0.0442","","","0.135","0.1708","","","","","","1.058","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153573","9.6284","0.0004","11.7266","0.0006","19.1651","0.0009","75.073","0.005","77.631","0.004","87.141","0.004","2042.31","0.17","293.83","0.1","293.83","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 I N O -","- C26 H18 I N O -","- C104 H72 I4 N4 O4 -","4","2","","Wang, Li-Jing; Zhu, Hai-Tao; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Electrophilic ipso-iodocyclization of N-benzyl-N-(1-naphthyl)propiolamides: synthesis of complex polycyclic lactams.","Organic & biomolecular chemistry","2014","12","4","643","650","10.1039/c3ob42020e","","","0.7107","MoKα","","0.0559","0.0393","","","0.0713","0.081","","","","","","1.035","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153574","10.5172","0.0008","17.5717","0.0006","20.0963","0.0011","90","","90","","90","","3713.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 I N O -","- C22 H16 I N O -","- C176 H128 I8 N8 O8 -","8","1","","Wang, Li-Jing; Zhu, Hai-Tao; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Electrophilic ipso-iodocyclization of N-benzyl-N-(1-naphthyl)propiolamides: synthesis of complex polycyclic lactams.","Organic & biomolecular chemistry","2014","12","4","643","650","10.1039/c3ob42020e","","","0.7107","MoKα","","0.1465","0.0741","","","0.1273","0.1546","","","","","","1.106","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153575","9.569","0.0002","8.0724","0.0002","17.2904","0.0003","90","","96.872","0.002","90","","1326","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 O8 -","- C28 H38 O8 -","- C56 H76 O16 -","2","0.5","","Buccini, Marco; Punch, Kathryn A.; Kaskow, Belinda; Flematti, Gavin R.; Skelton, Brian W.; Abraham, Lawrence J.; Piggott, Matthew J.","Ethynylbenzenoid metabolites of Antrodia camphorata: synthesis and inhibition of TNF expression.","Organic & biomolecular chemistry","2014","12","7","1100","1113","10.1039/c3ob42333f","","","0.71073","MoKα","","0.0854","0.051","","","0.1371","0.1514","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153576","7.3517","0.0019","18.103","0.005","10.012","0.003","90","","96.47","0.02","90","","1324","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H32 O9 -","- C29 H32 O9 -","- C58 H64 O18 -","2","1","","Buccini, Marco; Punch, Kathryn A.; Kaskow, Belinda; Flematti, Gavin R.; Skelton, Brian W.; Abraham, Lawrence J.; Piggott, Matthew J.","Ethynylbenzenoid metabolites of Antrodia camphorata: synthesis and inhibition of TNF expression.","Organic & biomolecular chemistry","2014","12","7","1100","1113","10.1039/c3ob42333f","","","0.71073","MoKα","","0.1602","0.1458","","","0.3562","0.3683","","","","","","1.412","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153577","8.987","0.002","13.788","0.003","15.365","0.004","90","","103.787","0.005","90","","1849.1","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N4 O4 S2 -","- C20 H12 N4 O4 S2 -","- C80 H48 N16 O16 S8 -","4","1","","Pal, Suman; Hatai, Joydev; Samanta, Mousumi; Shaurya, Alok; Bandyopadhyay, Subhajit","A highly selective chemodosimeter for fast detection and intracellular imaging of Hg(2+) ions based on a dithiocarbamate-isothiocyanate conversion in aqueous ethanol.","Organic & biomolecular chemistry","2014","12","7","1072","1078","10.1039/c3ob42108b","","","0.71073","MoKα","","0.0654","0.0439","","","0.0989","0.1096","","","","","","1.035","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153578","8.9744","0.0011","18.096","0.002","24.959","0.003","97.516","0.003","99.857","0.003","93.864","0.002","3942.5","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H46 N4 O5 -","- C46 H46 N4 O5 -","- C184 H184 N16 O20 -","4","2","","Mei, Liang-Yong; Tang, Xiang-Ying; Shi, Min","Rhodium-catalyzed three-component reaction of 3-diazooxindoles with indoles and isatin-derived ketimines: a facile and versatile approach to functionalized 3,3',3''-trisindoles.","Organic & biomolecular chemistry","2014","12","7","1149","1156","10.1039/c3ob42283f","","","0.71073","MoKα","","0.1131","0.067","","","0.1805","0.212","","","","","","1.02","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153579","10.4678","0.001","11.7231","0.0011","11.8283","0.0012","69.655","0.002","86.031","0.002","80.188","0.002","1341","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 F6 N2 -","- C32 H24 F6 N2 -","- C64 H48 F12 N4 -","2","1","","Zhang, Lisi; Li, Yajun; Zhang, Li; Wu, Yongming","Vicinal bis(trifluoroacetimidoyl chloride)s: novel building blocks for the synthesis of benzo-fused eight-membered rings via [2 + 2 + 2] cycloadditions.","Organic & biomolecular chemistry","2014","12","7","1040","1043","10.1039/c3ob42224k","","","0.71073","MoKα","","0.0588","0.0491","","","0.1349","0.1455","","","","","","1.047","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153580","9.567","0.0009","15.054","0.0015","9.7671","0.0013","90","","119.292","0.002","90","","1226.8","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H31 Cl2 Mn N5 O -","- C24 H31 Cl2 Mn N5 O -","- C48 H62 Cl4 Mn2 N10 O2 -","2","1","","Ilyashenko, Gennadiy; De Faveri, Giorgio; Follier, Thomas; Al-Safadi, Rawan; Motevalli, Majid; Watkinson, Michael","Catalytic and mechanistic studies into the epoxidation of styrenes using manganese complexes of structurally similar polyamine ligands.","Organic & biomolecular chemistry","2014","12","7","1124","1134","10.1039/c3ob42274g","","","0.71073","MoKα","","0.0392","0.0309","","","0.0524","0.0545","","","","","","0.991","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7153581","9.293","0.003","9.873","0.003","10.265","0.003","90","","98.175","0.016","90","","932.2","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 F3 N2 O5 -","- C18 H17 F3 N2 O5 -","- C36 H34 F6 N4 O10 -","2","1","","Liu, Feng-Lei; Chen, Jia-Rong; Feng, Bin; Hu, Xiao-Qiang; Ye, Li-Hua; Lu, Liang-Qiu; Xiao, Wen-Jing","Enantioselective organocatalytic oxa-Michael addition of oximes to β-CF3-β-disubstituted nitroalkenes: efficient synthesis of β-amino-α-trifluoromethyl alcohols.","Organic & biomolecular chemistry","2014","12","7","1057","1060","10.1039/c3ob42329h","","","1.54178","CuKα","","0.2612","0.2246","","","0.5764","0.621","","","","","","2.269","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153582","9.286","0.002","11.358","0.003","11.827","0.003","90","","98.495","0.004","90","","1233.7","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Acetyl-1-aza-7-phenylbicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0637","0.0552","","","0.1225","0.1272","","","","","","1.145","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153583","9.1844","0.001","9.6681","0.0011","10.4799","0.0012","81.098","0.002","65.775","0.002","79.753","0.002","831.62","0.16","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","8-Acetyl-1-aza-9-(3-oxobutyl)-7-phenylbicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C40 H38 N2 O4 -","2","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0932","0.0887","","","0.186","0.1889","","","","","","1.264","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153584","10.5099","0.0015","17.731","0.003","9.3383","0.0013","90","","115.207","0.002","90","","1574.5","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aza-14-oxo-12-phenyltetracyclo[11.4.0.02,11.05,10]heptadeca-1(13),3,5(10),6,8,11-hexaene","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0705","0.0434","","","0.1014","0.1143","","","","","","1.01","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153585","14.886","0.004","8.048","0.002","17.59","0.004","90","","90","","90","","2107.3","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-Acetyl-1-aza-2-Methoxy-7-methylbicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C96 H104 N8 O16 -","8","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0792","0.0635","","","0.1385","0.1466","","","","","","1.17","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153586","4.9759","0.0015","13.292","0.004","10.625","0.003","90","","90.818","0.005","90","","702.7","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","8-Acetyl-1-aza-2-Methoxy-7-methyl-9-(3-oxobutyl)bicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0552","0.0462","","","0.1194","0.1238","","","","","","1.09","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153587","8.901","0.002","12.206","0.003","22.343","0.006","90","","90","","90","","2427.5","1","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N2 O6 P -","- C25 H25 N2 O6 P -","- C100 H100 N8 O24 P4 -","4","1","","George, Jimil; Sridhar, B.; Reddy, B. V. Subba","First example of quinine-squaramide catalyzed enantioselective addition of diphenyl phosphite to ketimines derived from isatins.","Organic & biomolecular chemistry","2014","12","10","1595","1602","10.1039/c3ob42026d","","","0.71073","MoKα","","0.0755","0.0685","","","0.1684","0.1747","","","","","","1.048","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153588","7.3288","0.0007","19.338","0.002","10.3913","0.0011","90","","103.117","0.001","90","","1434.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1i","","","- C15 H11 B F2 O4 -","- C15 H11 B F2 O4 -","- C60 H44 B4 F8 O16 -","4","1","","Bai, Guifeng; Yu, Changjiang; Cheng, Chi; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Syntheses and photophysical properties of BF2 complexes of curcumin analogues.","Organic & biomolecular chemistry","2014","12","10","1618","1626","10.1039/c3ob42201a","","","0.71073","MoKα","","0.0784","0.0547","","","0.1545","0.1722","","","","","","1.06","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153589","16.957","0.002","11.8082","0.0016","9.9913","0.0014","90","","95.18","0.002","90","","1992.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1j","","","- C23 H19 B F2 O2 -","- C23 H19 B F2 O2 -","- C92 H76 B4 F8 O8 -","4","0.5","","Bai, Guifeng; Yu, Changjiang; Cheng, Chi; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Syntheses and photophysical properties of BF2 complexes of curcumin analogues.","Organic & biomolecular chemistry","2014","12","10","1618","1626","10.1039/c3ob42201a","","","0.71073","MoKα","","0.1147","0.0577","","","0.1736","0.2196","","","","","","1.039","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153590","8.999","0.001","8.057","0.001","14.015","0.004","90","","105.34","0.04","90","","980","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-5-{(S)-[(S)-2,2-Diethyl-1,3-dioxolan-4-yl][(2-meth oxyphenyl)amino]methyl}pyrrolidin-2-one","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C38 H56 N4 O8 -","2","1","","Sartori, Andrea; Dell'amico, Luca; Battistini, Lucia; Curti, Claudio; Rivara, Silvia; Pala, Daniele; Kerry, Philip S.; Pelosi, Giorgio; Casiraghi, Giovanni; Rassu, Gloria; Zanardi, Franca","Synthesis, structure and inhibitory activity of a stereoisomer of oseltamivir carboxylate.","Organic & biomolecular chemistry","2014","12","10","1561","1569","10.1039/c3ob42069h","","","0.71073","MoKα","","0.0665","0.063","","","0.1802","0.1875","","","","","","1.076","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153591","9.3972","0.0002","16.1308","0.0003","19.6022","0.0003","90","","90","","90","","2971.39","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","2","","Nandakumar, Avanashiappan; Kiruthika, Selvarangam E.; Naveen, Kanagaraj; Perumal, Paramasivan Thirumalai","Pd(0)-catalyzed regio- and stereoselective cyclization of alkynes: selective synthesis of (E)-4-(isobenzofuran-1(3H)-ylidene)-1,2,3,4-tetrahydroisoquinolines and aze/oxepinoindoles.","Organic & biomolecular chemistry","2014","12","6","876","880","10.1039/c3ob42314j","","","0.71073","MoKα","","0.0379","0.033","","","0.0813","0.0857","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153592","34.635","0.002","8.5799","0.0004","27.476","0.001","90","","92.652","0.004","90","","8156.2","0.7","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C78 H80 Cl4 F12 N4 O4 S4 Zn -","- C78 H80 Cl4 F12 N4 O4 S4 Zn -","- C312 H320 Cl16 F48 N16 O16 S16 Zn4 -","4","0.5","","Ordronneau, Lucie; Boixel, Julien; Aubert, Vincent; Vidal, Matias S.; Moya, Sergio; Aguirre, Pedro; Toupet, Loic; Williams, J. A. Gareth; Le Bozec, Hubert; Guerchais, Véronique","New fluorescent bis-dithienylethene (DTE)-based bipyridines as reverse interrupters: single vs. double photochromism.","Organic & biomolecular chemistry","2014","12","6","979","992","10.1039/c3ob42119h","","","0.71073","MoKα","","0.2208","0.0682","","","0.1741","0.2398","","","","","","0.669","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153593","10.8607","0.0014","11.4179","0.0014","15.2714","0.0019","83.181","0.003","80.292","0.003","61.859","0.002","1644.3","0.4","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","2","","Poudel, Tej Narayan; Lee, Yong Rok","An advanced and novel one-pot synthetic method for diverse benzo[c]chromen-6-ones by transition-metal free mild base-promoted domino reactions of substituted 2-hydroxychalcones with β-ketoesters and its application to polysubstituted terphenyls.","Organic & biomolecular chemistry","2014","12","6","919","930","10.1039/c3ob41800f","","","0.71073","MoKα","","0.1161","0.0642","","","0.1559","0.2354","","","","","","1.03","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153594","59.25","0.011","5.953","0.002","22.55","0.004","90","","90.93","0.01","90","","7953","3","198","2","198","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N -","- C17 H17 N -","- C408 H408 N24 -","24","3","","Thomas, Claudia; Kataeva, Olga; Schmidt, Arndt W.; Knölker, Hans-Joachim","Regioselective prenylation of bromocarbazoles by palladium(0)-catalysed cross coupling - synthesis of O-methylsiamenol, O-methylmicromeline and carquinostatin A.","Organic & biomolecular chemistry","2014","12","6","872","875","10.1039/c3ob42297f","","","0.71073","MoKα","","0.2163","0.0884","","","0.2424","0.29","","","","","","0.918","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7153595","9.5236","0.0002","14.224","0.0003","16.822","0.0004","109.168","0.002","92.395","0.002","100.881","0.002","2100.47","0.09","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H56.5 N7 O9 S -","- C36 H56.5 N7 O9 S -","- C72 H113 N14 O18 S2 -","2","2","","De Poli, Matteo; Clayden, Jonathan","Thionoglycine as a multifunctional spectroscopic reporter of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2014","12","5","836","843","10.1039/c3ob42167h","","","1.54178","CuKα","","0.0656","0.0475","","","0.1075","0.1164","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153596","9.5005","0.0002","14.2234","0.0003","15.3975","0.0003","89.612","0.002","84.675","0.001","78.797","0.002","2032.06","0.07","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H53 N7 O9 S -","- C34 H53 N7 O9 S -","- C68 H106 N14 O18 S2 -","2","2","","De Poli, Matteo; Clayden, Jonathan","Thionoglycine as a multifunctional spectroscopic reporter of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2014","12","5","836","843","10.1039/c3ob42167h","","","1.54178","CuKα","","0.0568","0.046","","","0.1234","0.1443","","","","","","1.049","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153597","10.233","0.004","10.817","0.004","10.864","0.004","62.661","0.004","78.149","0.004","89.945","0.004","1039.4","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 N2 O -","- C29 H20 N2 O -","- C58 H40 N4 O2 -","2","1","","Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions.","Organic & biomolecular chemistry","2014","12","5","758","764","10.1039/c3ob41955j","","","0.71073","MoKα","","0.0583","0.0451","","","0.12","0.1326","","","","","","1.005","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153598","13.242","0.003","13.337","0.003","16.05","0.003","67.201","0.003","81.584","0.004","60.973","0.003","2281.8","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C120 H88 N8 O8 -","4","2","","Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions.","Organic & biomolecular chemistry","2014","12","5","758","764","10.1039/c3ob41955j","","","0.71073","MoKα","","0.0476","0.0402","","","0.1052","0.1125","","","","","","1.027","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153599","13.5728","0.0005","18.3397","0.0007","14.2808","0.0005","90","","90","","90","","3554.8","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C192 H144 N16 O8 -","8","2","","Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions.","Organic & biomolecular chemistry","2014","12","5","758","764","10.1039/c3ob41955j","","","0.71073","MoKα","","0.0704","0.0523","","","0.1384","0.1551","","","","","","1.009","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153600","16.9067","0.001","7.6918","0.0004","13.0515","0.0013","90","","101.576","0.007","90","","1662.7","0.2","293","2","293","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C18 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Zhang, Hongrui; Li, Haifeng; Xue, Jijun; Chen, Rui; Li, Ying; Tang, Yu; Li, Chunxin","New facile enantio- and diastereo-selective syntheses of (-)-triptonide and (-)-triptolide.","Organic & biomolecular chemistry","2014","12","5","732","736","10.1039/c3ob42183j","","","0.7107","MoKα","","0.0613","0.0492","","","0.1121","0.1211","","","","","","1.127","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153601","8.85","0.003","12.001","0.004","12.727","0.004","90","","90","","90","","1351.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Zhang, Hongrui; Li, Haifeng; Xue, Jijun; Chen, Rui; Li, Ying; Tang, Yu; Li, Chunxin","New facile enantio- and diastereo-selective syntheses of (-)-triptonide and (-)-triptolide.","Organic & biomolecular chemistry","2014","12","5","732","736","10.1039/c3ob42183j","","","0.71073","MoKα","","0.0703","0.0488","","","0.1148","0.1309","","","","","","0.977","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153602","9.24936","0.00019","10.4306","0.0002","9.62893","0.00018","90","","99.3592","0.0013","90","","916.6","0.03","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br N2 O4 -","- C20 H17 Br N2 O4 -","- C40 H34 Br2 N4 O8 -","2","1","","Kano, Taichi; Takechi, Ryosuke; Kobayashi, Ryohei; Maruoka, Keiji","Chiral Brønsted acid-catalyzed enantioselective addition of indoles to ketimines.","Organic & biomolecular chemistry","2014","12","5","724","727","10.1039/c3ob42190b","","","1.54187","CuKα","","","0.0535","","","","0.1429","","","","","","0.871","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153603","9.5871","0.0016","10.4916","0.0018","14.112","0.002","93.549","0.009","109.31","0.009","95.346","0.01","1327.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Indoles","","","- C16 H12 F3 N -","- C16 H12 F3 N -","- C64 H48 F12 N4 -","4","2","","Das, Bimolendu; Kundu, Priyanka; Chowdhury, Chinmay","Facile synthesis of 2-arylmethylindoles and 2-vinylic indoles through palladium-catalyzed heteroannulations of 2-(2-propynyl)aniline and 2-(2-propynyl)tosylanilide.","Organic & biomolecular chemistry","2014","12","5","741","748","10.1039/c3ob41961d","","","0.71073","MoKα","","0.0735","0.0579","","","0.1732","0.1944","","","","","","1.155","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153604","9.6704","0.0005","9.8238","0.0006","38.263","0.002","90","","90","","90","","3635","0.3","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","foldamers","","","- C34 H46 Br N5 O6 -","- C34 H46 Br N5 O6 -","- C136 H184 Br4 N20 O24 -","4","1","","Nair, Roshna V.; Kotmale, Amol S.; Dhokale, Snehal A.; Gawade, Rupesh L.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Formation of a pseudo-β-hairpin motif utilizing the Ant-Pro reverse turn: consequences of stereochemical reordering.","Organic & biomolecular chemistry","2014","12","5","774","782","10.1039/c3ob42016g","","","0.71073","MoKα","","0.0593","0.0447","","","0.1143","0.1233","","","","","","1.022","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153605","7.8694","0.0012","10.0748","0.0012","13.8855","0.0009","101.946","0.008","92.094","0.008","105.143","0.012","1034.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C52 H52 N4 O2 -","2","1","","Pereshivko, Olga P.; Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Jacobs, Jeroen; Van Meervelt, Luc; Van der Eycken, Erik V.","Unexpected regio- and chemoselectivity of cationic gold-catalyzed cycloisomerizations of propargylureas: access to tetrasubstituted 3,4-dihydropyrimidin-2(1H)-ones.","Organic & biomolecular chemistry","2014","12","11","1741","1750","10.1039/c3ob42221f","","","0.7107","MoKα","","0.0481","0.0427","","","0.112","0.1161","","","","","","1.036","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153606","9.963","0.0009","10.2126","0.0005","21.0844","0.0018","90","","97.452","0.01","90","","2127.2","0.3","100.5","0.9","100.5","0.9","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","","Pereshivko, Olga P.; Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Jacobs, Jeroen; Van Meervelt, Luc; Van der Eycken, Erik V.","Unexpected regio- and chemoselectivity of cationic gold-catalyzed cycloisomerizations of propargylureas: access to tetrasubstituted 3,4-dihydropyrimidin-2(1H)-ones.","Organic & biomolecular chemistry","2014","12","11","1741","1750","10.1039/c3ob42221f","","","0.7107","MoKα","","0.0583","0.0458","","","0.1051","0.1122","","","","","","1.08","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153607","8.3806","0.0003","11.1445","0.0004","13.0469","0.0005","107.1","0.003","90.343","0.003","93.898","0.003","1161.56","0.08","278","2","278","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C48 H42 N2 O6 S2 -","2","1","","Jalal, Swapnadeep; Bera, Krishnendu; Sarkar, Soumen; Paul, Kartick; Jana, Umasish","Efficient synthesis of functionalized dihydroquinolines, quinolines and dihydrobenzo[b]azepine via an iron(iii) chloride-catalyzed intramolecular alkyne-carbonyl metathesis of alkyne tethered 2-amino benzaldehyde/acetophenone derivatives.","Organic & biomolecular chemistry","2014","12","11","1759","1770","10.1039/c3ob42292e","","","0.71073","MoKα","","0.0922","0.0504","","","0.1173","0.129","","","","","","0.999","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153608","9.124","0.0005","23.4937","0.0012","12.015","0.0007","90","","102.275","0.008","90","","2516.6","0.3","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C50 H36 B2 F12 N4 -","- C50 H36 B2 F12 N4 -","- C100 H72 B4 F24 N8 -","2","0.5","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.0828","0.0692","","","0.1878","0.1972","","","","","","1.021","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153609","16.7527","0.0011","15.1798","0.0011","23.1208","0.0015","90","","117.527","0.008","90","","5214.1","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 B2 F12 N4 O2 -","- C58 H52 B2 F12 N4 O2 -","- C232 H208 B8 F48 N16 O8 -","4","1","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.1939","0.0894","","","0.1935","0.2305","","","","","","1.138","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153610","11.4237","0.0003","40.4906","0.001","21.6705","0.0006","90","","100.521","0.007","90","","9855.2","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 B2 F12 N4 -","- C48 H32 B2 F12 N4 -","- C384 H256 B16 F96 N32 -","8","1","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.1507","0.0739","","","0.1926","0.2183","","","","","","1.056","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153611","10.04744","0.00018","17.2665","0.0004","18.6317","0.0004","112.428","0.001","92.3032","0.0012","104.987","0.0009","2851.07","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H52 B2 Cl2 F4 N8 -","- C60 H52 B2 Cl2 F4 N8 -","- C120 H104 B4 Cl4 F8 N16 -","2","1","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.1195","0.078","","","0.1745","0.1963","","","","","","1.056","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153612","12.3328","0.0004","26.4067","0.0007","19.8528","0.0006","90","","117.109","0.0018","90","","5755.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 B2 F4 N8 -","- C54 H40 B2 F4 N8 -","- C216 H160 B8 F16 N32 -","4","1","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.0748","0.0568","","","0.1196","0.1263","","","","","","1.021","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153613","9.263","0.002","10.294","0.002","13.643","0.003","86.448","0.007","75.238","0.007","89.471","0.007","1255.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl N3 Ni O3 -","- C28 H28 Cl N3 Ni O3 -","- C56 H56 Cl2 N6 Ni2 O6 -","2","1","","Bergagnini, Mackenzie; Fukushi, Kazunobu; Han, Jianlin; Shibata, Norio; Roussel, Christian; Ellis, Trevor K.; Aceña, José Luis; Soloshonok, Vadim A.","NH-type of chiral Ni(ii) complexes of glycine Schiff base: design, structural evaluation, reactivity and synthetic applications.","Organic & biomolecular chemistry","2014","12","8","1278","1291","10.1039/c3ob41959b","","","0.71073","MoKα","","0.0357","0.0321","","","0.0792","0.0813","","","","","","1.006","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153614","13.4815","0.0004","8.2127","0.0003","28.9529","0.0009","90","","90","","90","","3205.65","0.18","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H N O S -","- C3.99695 H3.04457 O0.380952 S0.187429 -","- C167.872 H127.872 O16 S7.872 -","42","5.25","","Sivaraman, Mahalingam; Perumal, Paramasivan T.","Synthesis of tetracyclic chromenones via platinum(ii) chloride catalysed cascade cyclization of enediyne-enones.","Organic & biomolecular chemistry","2014","12","8","1318","1327","10.1039/c3ob41911h","","","0.71073","MoKα","","0.0456","0.0357","","","0.0818","0.0894","","","","","","1.089","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153615","7.8303","0.0009","8.7435","0.001","10.6132","0.0011","89.682","0.009","88.864","0.009","67.949","0.011","673.34","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 N2 O0 -","- C17 H12 N2 -","- C34 H24 N4 -","2","1","","Lin, Shaoxia; Li, Mengru; Dong, Zhiyong; Liang, Fushun; Zhang, Jingping","Hypervalent iodine(iii)-mediated cyclopropa(e)nation of alkenes/alkynes under mild conditions.","Organic & biomolecular chemistry","2014","12","8","1341","1350","10.1039/c3ob42123f","","","0.71073","MoKα","","0.0908","0.053","","","0.1165","0.139","","","","","","1.041","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153616","11.3178","0.0006","15.0624","0.0007","8.1854","0.0004","90","","97.093","0.005","90","","1384.71","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","","Lin, Shaoxia; Li, Mengru; Dong, Zhiyong; Liang, Fushun; Zhang, Jingping","Hypervalent iodine(iii)-mediated cyclopropa(e)nation of alkenes/alkynes under mild conditions.","Organic & biomolecular chemistry","2014","12","8","1341","1350","10.1039/c3ob42123f","","","0.71073","MoKα","","0.058","0.0427","","","0.0966","0.1057","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153617","9.2741","0.001","38.324","0.004","5.081","0.0005","90","","90","","90","","1805.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H16 Br O4 P -","- C19 H16 Br O4 P -","- C76 H64 Br4 O16 P4 -","4","1","","Alegre-Requena, Juan V; Marqués-López, Eugenia; Sanz Miguel, Pablo J.; Herrera, Raquel P.","Organocatalytic enantioselective hydrophosphonylation of aldehydes.","Organic & biomolecular chemistry","2014","12","8","1258","1264","10.1039/c3ob42403k","","","0.71073","MoKα","","0.1159","0.0599","","","0.1352","0.1583","","","","","","1.038","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153618","6.2873","0.0011","12.402","0.002","22.054","0.004","90","","90","","90","","1719.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl O4 P -","- C19 H16 Cl O4 P -","- C76 H64 Cl4 O16 P4 -","4","1","","Alegre-Requena, Juan V; Marqués-López, Eugenia; Sanz Miguel, Pablo J.; Herrera, Raquel P.","Organocatalytic enantioselective hydrophosphonylation of aldehydes.","Organic & biomolecular chemistry","2014","12","8","1258","1264","10.1039/c3ob42403k","","","0.71073","MoKα","","0.0355","0.0315","","","0.0839","0.0883","","","","","","1.047","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153619","9.29","0.0005","16.2681","0.001","16.8894","0.001","90","","90","","90","","2552.5","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N3 O2 Se -","- C28 H29 N3 O2 Se -","- C112 H116 N12 O8 Se4 -","4","1","","Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit","An ebselen like catalyst with enhanced GPx activity via a selenol intermediate.","Organic & biomolecular chemistry","2014","12","8","1215","1219","10.1039/c4ob00027g","","","0.71073","MoKα","","0.0361","0.0275","","","0.059","0.0616","","","","","","1.052","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153620","9.5877","0.0015","15.441","0.002","10.176","0.0017","90","","112.072","0.009","90","","1396.1","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H35 N3 O4 Se -","- C29 H35 N3 O4 Se -","- C58 H70 N6 O8 Se2 -","2","1","","Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit","An ebselen like catalyst with enhanced GPx activity via a selenol intermediate.","Organic & biomolecular chemistry","2014","12","8","1215","1219","10.1039/c4ob00027g","","","0.71073","MoKα","","0.1002","0.0441","","","0.0716","0.0801","","","","","","0.921","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153621","10.4368","0.0002","10.9926","0.0002","11.5312","0.0002","90","","102.807","0.001","90","","1290.03","0.04","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O Se -","- C15 H13 N O Se -","- C60 H52 N4 O4 Se4 -","4","1","","Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit","An ebselen like catalyst with enhanced GPx activity via a selenol intermediate.","Organic & biomolecular chemistry","2014","12","8","1215","1219","10.1039/c4ob00027g","","","0.71073","MoKα","","0.0395","0.0271","","","0.0693","0.0749","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153622","8.0403","0.0013","23.243","0.004","9.3718","0.0015","90","","110.49","0.004","90","","1640.6","0.5","147","2","147","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Dimitrijević, Elena; Cusimano, Madeline; Taylor, Mark S.","Synthesis of benzannulated heterocycles by twofold Suzuki-Miyaura couplings of cyclic diarylborinic acids.","Organic & biomolecular chemistry","2014","12","9","1391","1394","10.1039/c3ob42065e","","","0.71073","MoKα","","0.0718","0.0577","","","0.127","0.1336","","","","","","1.126","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153623","11.2914","0.0014","3.7335","0.0004","21.924","0.003","90","","96.597","0.007","90","","918.1","0.2","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N4 -","- C11 H8 N4 -","- C44 H32 N16 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0999","0.0533","","","0.1134","0.1374","","","","","","0.987","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153624","6.4535","0.0005","7.2728","0.0005","10.4085","0.0006","90","","105.814","0.003","90","","470.03","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C11 H8 N2 S -","- C11 H8 N2 S -","- C22 H16 N4 S2 -","2","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0481","0.0414","","","0.0857","0.0893","","","","","","1.03","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153625","8.0045","0.0001","15.6507","0.0003","9.0232","0.0002","90","","100.439","0.001","90","","1111.68","0.04","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 I N3 -","- C12 H8 I N3 -","- C48 H32 I4 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0247","0.0215","","","0.0507","0.0522","","","","","","1.029","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153626","9.9051","0.0006","7.572","0.0005","14.9735","0.0009","90","","100.491","0.003","90","","1104.26","0.12","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 I N3 -","- C12 H8 I N3 -","- C48 H32 I4 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0299","0.0257","","","0.0627","0.0649","","","","","","1.026","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153627","12.1661","0.0007","7.275","0.0004","14.9877","0.0008","90","","111.517","0.0017","90","","1234.09","0.12","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H10 I N3 O -","- C13 H10 I N3 O -","- C52 H40 I4 N12 O4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0336","0.0281","","","0.0629","0.0653","","","","","","1.054","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153628","6.6989","0.001","8.5117","0.0012","19.409","0.003","90","","96.629","0.005","90","","1099.3","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 I N3 S -","- C10 H6 I N3 S -","- C40 H24 I4 N12 S4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0492","0.0392","","","0.1004","0.1053","","","","","","1.108","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153629","4.4884","0.0002","12.4932","0.0005","22.191","0.001","90","","90","","90","","1244.35","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H7 I2 N3 -","- C12 H7 I2 N3 -","- C48 H28 I8 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.033","0.0314","","","0.0747","0.0756","","","","","","1.039","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153630","4.0838","0.0004","14.2493","0.0013","23.294","0.002","90","","90","","90","","1355.5","0.2","150","2","150","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C12 H6 Cl I2 N3 -","- C12 H6 Cl I2 N3 -","- C48 H24 Cl4 I8 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0529","0.0429","","","0.0796","0.0844","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153631","7.1169","0.0003","8.2892","0.0003","12.3378","0.0005","77.399","0.002","74.075","0.002","73.384","0.002","662.94","0.05","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H6 Cl I2 N3 -","- C12 H6 Cl I2 N3 -","- C24 H12 Cl2 I4 N6 -","2","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0695","0.0416","","","0.0789","0.0884","","","","","","1.068","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153632","13.3","0.003","5.2093","0.0011","21.672","0.006","90","","95.208","0.008","90","","1495.3","0.6","250","2","250","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H6 F3 I2 N3 -","- C13 H6 F3 I2 N3 -","- C52 H24 F12 I8 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0436","0.0327","","","0.0706","0.0756","","","","","","1.032","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153633","8.2536","0.0004","15.6664","0.0007","11.6615","0.0005","90","","108.822","0.002","90","","1427.25","0.11","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 I2 N3 O -","- C13 H9 I2 N3 O -","- C52 H36 I8 N12 O4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0419","0.0348","","","0.0783","0.0808","","","","","","1.123","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153634","4.2004","0.0002","20.7217","0.0014","15.9102","0.0011","90","","97.125","0.003","90","","1374.12","0.15","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 I2 N3 O -","- C13 H9 I2 N3 O -","- C52 H36 I8 N12 O4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0403","0.0356","","","0.108","0.1104","","","","","","1.217","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153635","4.104","0.0001","22.5488","0.0007","25.9538","0.001","90","","90","","90","","2401.77","0.13","150","2","150","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C10 H5 I2 N3 S -","- C10 H5 I2 N3 S -","- C80 H40 I16 N24 S8 -","8","2","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0466","0.0441","","","0.1001","0.1015","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153636","16.5855","0.0003","15.6566","0.0003","14.3263","0.001","90","","118.686","0.008","90","","3263.5","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N4 O6 Pd2 -","- C15 H14 N2 O3 Pd -","- C120 H112 N16 O24 Pd8 -","8","1","","Cheng, Tao; Yin, Weiyu; Zhang, Yi; Zhang, Yingnan; Huang, Yong","Palladium catalyzed acetoxylation of benzylic C-H bonds using a bidentate picolinamide directing group.","Organic & biomolecular chemistry","2014","12","9","1405","1411","10.1039/c3ob42196a","","","1.54178","CuKα","","0.0982","0.0896","","","0.3222","0.3543","","","","","","1.751","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153637","3.9805","0.0012","21.132","0.007","16.71","0.005","90","","96.391","0.004","90","","1396.8","0.8","100","2","100","2","","","","","","","Cally J E Haynes","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O S -","- C14 H20 N2 O S -","- C56 H80 N8 O4 S4 -","4","1","","Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A.","Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding.","Organic & biomolecular chemistry","2014","12","1","62","72","10.1039/c3ob41522h","","","0.71075","MoKα","","0.0459","0.0393","","","0.0834","0.0871","","","","","","1.072","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153638","9.6713","0.0007","12.217","0.0009","14.0933","0.0011","95.844","0.007","92.324","0.007","104.975","0.007","1596.4","0.2","100","2","100","2","","","","","","","Cally-Jo Elizabeth Haynes","6","P -1","-P 1","2","","","","- C15 H19 F3 N2 O S -","- C15 H19 F3 N2 O S -","- C60 H76 F12 N8 O4 S4 -","4","2","","Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A.","Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding.","Organic & biomolecular chemistry","2014","12","1","62","72","10.1039/c3ob41522h","","","0.71075","MoKα","","0.0626","0.0435","","","0.1086","0.1175","","","","","","1.039","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153639","18.395","0.008","8.682","0.004","9.855","0.005","90","","98.783","0.006","90","","1555.4","1.3","100","2","100","2","","","","","","","Cally-Jo Elizabeth Haynes","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O2 S -","- C15 H22 N2 O2 S -","- C60 H88 N8 O8 S4 -","4","1","","Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A.","Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding.","Organic & biomolecular chemistry","2014","12","1","62","72","10.1039/c3ob41522h","","","0.71075","MoKα","","0.081","0.0614","","","0.1388","0.1513","","","","","","1.003","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153640","5.166","0.003","34.07","0.02","7.566","0.005","90","","101.193","0.01","90","","1306.3","1.4","100","2","100","2","","","","","","","Cally-Jo Elizabeth Haynes","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C56 H80 N8 O8 -","4","1","","Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A.","Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding.","Organic & biomolecular chemistry","2014","12","1","62","72","10.1039/c3ob41522h","","","0.71075","MoKα","","0.0708","0.051","","","0.0988","0.1083","","","","","","1.038","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153641","12.5","0.0004","12.661","0.0003","22.056","0.0007","90","","90","","90","","3490.64","0.18","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C15 H25 B O4 Si -","- C15 H25 B O4 Si -","- C120 H200 B8 O32 Si8 -","8","1","","Goggins, Sean; Rosevere, Eleanor; Bellini, Clément; Allen, Joseph C.; Marsh, Barrie J.; Mahon, Mary F.; Frost, Christopher G.","Silyl-protected dioxaborinanes: application in the Suzuki cross-coupling reaction.","Organic & biomolecular chemistry","2014","12","1","47","52","10.1039/c3ob42099j","","","0.71073","MoKα","","0.1504","0.0573","","","0.1244","0.1581","","","","","","0.979","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153642","15.373","0.0007","14.1912","0.0004","16.2612","0.0007","90","","117.831","0.006","90","","3137.2","0.3","150.15","","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3-((6-Ethynyl-7-methyl-7H-purin-2-yl)amino)phenyl)acetamide","","- C16.5 H16 N6 O1.5 -","- C16.5 H16 N6 O1.5 -","- C132 H128 N48 O12 -","8","2","","Lebraud, Honorine; Coxon, Christopher R.; Archard, Victoria S.; Bawn, Carlo M.; Carbain, Benoit; Matheson, Christopher J.; Turner, David M.; Cano, Celine; Griffin, Roger J.; Hardcastle, Ian R.; Baisch, Ulrich; Harrington, Ross W.; Golding, Bernard T.","Model system for irreversible inhibition of Nek2: thiol addition to ethynylpurines and related substituted heterocycles.","Organic & biomolecular chemistry","2014","12","1","141","148","10.1039/c3ob41806e","","","0.7107","MoKα","","0.0569","0.0436","","","0.1046","0.1134","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153643","20.838","0.004","4.7845","0.0009","14.873","0.004","90","","105.57","0.02","90","","1428.4","0.6","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-((6-Ethynyl-9-methyl-9H-purin-2-yl)amino)phenyl)acetamide","","- C16 H14 N6 O -","- C16 H14 N6 O -","- C64 H56 N24 O4 -","4","1","","Lebraud, Honorine; Coxon, Christopher R.; Archard, Victoria S.; Bawn, Carlo M.; Carbain, Benoit; Matheson, Christopher J.; Turner, David M.; Cano, Celine; Griffin, Roger J.; Hardcastle, Ian R.; Baisch, Ulrich; Harrington, Ross W.; Golding, Bernard T.","Model system for irreversible inhibition of Nek2: thiol addition to ethynylpurines and related substituted heterocycles.","Organic & biomolecular chemistry","2014","12","1","141","148","10.1039/c3ob41806e","","","1.5418","CuKα","","0.0947","0.0559","","","0.136","0.1575","","","","","","1.087","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153644","11.5778","0.001","19.919","0.002","15.6456","0.0014","90","","90","","90","","3608.2","0.6","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H32 Br2 Cl2 O4 -","- C43 H32 Br2 Cl2 O4 -","- C172 H128 Br8 Cl8 O16 -","4","1","","Fan, Xing-Wen; Cheng, Ying","N-Heterocyclic carbene-catalyzed cascade reaction of 2-aroylvinylcinnamaldehydes with 2-aroylvinylchalcones: rapid assembly of six contiguous stereogenic centers with high diastereoselectivity.","Organic & biomolecular chemistry","2014","12","1","123","131","10.1039/c3ob41656a","","","0.71075","MoKα","","0.038","0.0264","","","0.0508","0.0531","","","","","","0.875","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153645","14.088","0.0014","25.453","0.002","9.816","0.0008","90","","110.36","0.005","90","","3299.9","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Br2 O4 -","- C42 H30 Br2 O4 -","- C168 H120 Br8 O16 -","4","1","","Fan, Xing-Wen; Cheng, Ying","N-Heterocyclic carbene-catalyzed cascade reaction of 2-aroylvinylcinnamaldehydes with 2-aroylvinylchalcones: rapid assembly of six contiguous stereogenic centers with high diastereoselectivity.","Organic & biomolecular chemistry","2014","12","1","123","131","10.1039/c3ob41656a","","","0.71075","MoKα","","0.0688","0.0552","","","0.1331","0.1414","","","","","","1.077","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153646","12.46","0.005","7.632","0.003","17.002","0.006","90","","91.153","0.006","90","","1616.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 I N O2 S -","- C16 H16 I N O2 S -","- C64 H64 I4 N4 O8 S4 -","4","1","","Li, Yuewen; Ding, Qiuping; Qiu, Guanyinsheng; Wu, Jie","Synthesis of benzosultams via an intramolecular sp2 C-H bond amination reaction of o-arylbenzenesulfonamides under metal-free conditions.","Organic & biomolecular chemistry","2014","12","1","149","155","10.1039/c3ob41810c","","","0.71073","MoKα","","0.0804","0.054","","","0.1569","0.1747","","","","","","1.053","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153647","9.396","0.004","17.34","0.006","9.934","0.004","90","","114.283","0.004","90","","1475.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","Li, Yuewen; Ding, Qiuping; Qiu, Guanyinsheng; Wu, Jie","Synthesis of benzosultams via an intramolecular sp2 C-H bond amination reaction of o-arylbenzenesulfonamides under metal-free conditions.","Organic & biomolecular chemistry","2014","12","1","149","155","10.1039/c3ob41810c","","","0.71073","MoKα","","0.0804","0.0687","","","0.1731","0.1882","","","","","","1.032","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153648","9.3648","0.0015","6.0541","0.001","12.676","0.002","90","","90.287","0.006","90","","718.7","0.2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Br O2 -","- C17 H15 Br O2 -","- C34 H30 Br2 O4 -","2","1","","Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Asymmetric chroman synthesis via an intramolecular oxy-Michael addition by bifunctional organocatalysts.","Organic & biomolecular chemistry","2014","12","1","119","122","10.1039/c3ob41938j","","","0.71075","MoKα","","","0.0697","","","","0.1151","","","","","","0.971","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153649","10.7329","0.0004","16.5196","0.0006","19.3778","0.0008","90","","101.241","0.001","90","","3369.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","gamma-lactam","","","- C39 H31 N2 O7 P S -","- C39 H31 N2 O7 P S -","- C156 H124 N8 O28 P4 S4 -","4","1","","Lin, Yu-Wei; Deng, Jie-Cheng; Hsieh, You-Zung; Chuang, Shih-Ching","One-pot formation of fluorescent γ-lactams having an α-phosphorus ylide moiety through three-component α(δ')-Michael reactions of phosphines with an enyne and N-tosyl aldimines.","Organic & biomolecular chemistry","2014","12","1","162","170","10.1039/c3ob41811a","","","0.71073","MoKα","","0.0543","0.0365","","","0.0849","0.0934","","","","","","1.009","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153650","10.2628","0.0016","14.104","0.002","15.146","0.002","85.999","0.003","73.595","0.003","79.998","0.003","2070.6","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","gamma-lactam","","","- C40 H28 Cl7 N2 O7 P S -","- C40 H28 Cl7 N2 O7 P S -","- C80 H56 Cl14 N4 O14 P2 S2 -","2","1","","Lin, Yu-Wei; Deng, Jie-Cheng; Hsieh, You-Zung; Chuang, Shih-Ching","One-pot formation of fluorescent γ-lactams having an α-phosphorus ylide moiety through three-component α(δ')-Michael reactions of phosphines with an enyne and N-tosyl aldimines.","Organic & biomolecular chemistry","2014","12","1","162","170","10.1039/c3ob41811a","","","0.71073","MoKα","","0.1074","0.0726","","","0.1825","0.2043","","","","","","1.061","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153651","6.2093","0.0004","8.3668","0.0005","11.145","0.0005","74.54","0.003","89.252","0.003","68.175","0.003","515.65","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O -","- C14.0008 H18.0008 O1.0001 -","- C28.0016 H36.0016 O2.0002 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0882","0.0518","","","0.1213","0.1385","","","","","","1.036","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153652","8.8558","0.0002","12.1899","0.0003","12.9536","0.0003","90","","90","","90","","1398.36","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl4 O -","- C14 H14 Cl4 O -","- C56 H56 Cl16 O4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0352","0.0302","","","0.0692","0.072","","","","","","1.065","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153653","6.5349","0.0002","8.802","0.0004","11.7531","0.0005","89.29","0.002","85.351","0.003","89.283","0.003","673.72","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 Cl4 O -","- C14 H14 Cl4 O -","- C28 H28 Cl8 O2 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0404","0.0326","","","0.0775","0.082","","","","","","1.041","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153654","14.7642","0.0007","7.4391","0.0003","14.5856","0.0006","90","","91.061","0.002","90","","1601.7","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br2 Cl4 -","- C14 H14 Br2 Cl4 -","- C56 H56 Br8 Cl16 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0647","0.0366","","","0.0819","0.0903","","","","","","1.028","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153655","8.5158","0.0003","12.1809","0.0005","14.7928","0.0005","90","","98.852","0.003","90","","1516.18","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br2 Cl4 -","- C14 H14 Br2 Cl4 -","- C56 H56 Br8 Cl16 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0487","0.0424","","","0.11","0.1162","","","","","","1.025","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153656","13.033","0.001","7.7467","0.0006","12.4282","0.0009","90","","101.998","0.007","90","","1227.37","0.16","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br2 -","- C14 H18 Br2 -","- C56 H72 Br8 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0553","0.039","","","0.0893","0.1006","","","","","","1.051","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153657","14.3718","0.0004","6.4978","0.0002","12.7356","0.0004","90","","94.731","0.002","90","","1185.26","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br2 -","- C14 H18 Br2 -","- C56 H72 Br8 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0334","0.0233","","","0.0491","0.052","","","","","","1.054","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153658","10.2431","0.0009","14.0654","0.0001","14.0892","0.0002","93.793","0.005","90.314","0.008","93.311","0.008","2021.96","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H34 Co2 F2 N6 O12 -","- C41 H34 Co2 F2 N6 O12 -","- C82 H68 Co4 F4 N12 O24 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.1328","0.0773","","","0.1912","0.229","","","","","","1.036","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153659","7.0652","0.0008","8.2217","0.0009","13.0265","0.0014","92.9","0.003","90.127","0.003","114.75","0.003","686.07","0.13","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H14 Cl4 -","- C14 H14 Cl4 -","- C28 H28 Cl8 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0615","0.036","","","0.0685","0.075","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153660","7.0286","0.0004","8.7167","0.0005","15.6853","0.0009","83.186","0.002","87.4669","0.0019","66.254","0.0016","873.4","0.09","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 Cl4 -","- C20 H20 Cl4 -","- C40 H40 Cl8 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0354","0.0299","","","0.0744","0.0766","","","","","","1.116","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153661","7.3702","0.0002","7.6424","0.0003","9.3429","0.0003","95.852","0.002","105.352","0.001","93.753","0.001","502.48","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","VA_23","3-Bromo-4-(methoxycarbonyl)-2-(2-nitroethyl)pyrrole","","- C8 H9 Br N2 O4 -","- C8 H9 Br N2 O4 -","- C16 H18 Br2 N4 O8 -","2","1","","Jiang, Jianbing; Vairaprakash, Pothiappan; Reddy, Kanumuri Ramesh; Sahin, Tuba; Pavan, M. Phani; Lubian, Elisa; Lindsey, Jonathan S.","Hydrophilic tetracarboxy bacteriochlorins for photonics applications.","Organic & biomolecular chemistry","2014","12","1","86","103","10.1039/c3ob41791c","","","0.71073","MoKα","","0.0222","0.0216","","","0.0609","0.0612","","","","","","1.08","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153662","9.5461","0.0004","9.6709","0.0004","15.4442","0.0007","90","","90","","90","","1425.8","0.11","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","VAA-48","3-Bromo-2-(2-nitroethyl)-N-tosylpyrrole","","- C13 H13 Br N2 O4 S -","- C13 H13 Br N2 O4 S -","- C52 H52 Br4 N8 O16 S4 -","4","1","","Jiang, Jianbing; Vairaprakash, Pothiappan; Reddy, Kanumuri Ramesh; Sahin, Tuba; Pavan, M. Phani; Lubian, Elisa; Lindsey, Jonathan S.","Hydrophilic tetracarboxy bacteriochlorins for photonics applications.","Organic & biomolecular chemistry","2014","12","1","86","103","10.1039/c3ob41791c","","","0.71073","MoKα","","0.0221","0.0192","","","0.0484","0.0491","","","","","","1.057","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153663","9.5255","0.0003","10.2017","0.0004","15.6299","0.0004","96.696","0.001","95.281","0.002","117.086","0.002","1324.84","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H26 F6 Fe N4 O6 S2 -","- C22 H26 F6 Fe N4 O6 S2 -","- C44 H52 F12 Fe2 N8 O12 S4 -","2","1","","Yazerski, Vital A.; Spannring, Peter; Gatineau, David; Woerde, Charlotte H. M.; Wieclawska, Sara M.; Lutz, Martin; Kleijn, Henk; Klein Gebbink, Robertus J. M.","Making Fe(BPBP)-catalyzed C-H and C[double bond, length as m-dash]C oxidations more affordable.","Organic & biomolecular chemistry","2014","12","13","2062","2070","10.1039/c3ob42249f","","","0.71073","MoKα","","0.0265","0.0245","","","0.0622","0.0633","","","","","","1.047","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153664","13.0481","0.0005","13.2273","0.0005","23.4746","0.0008","102.934","0.002","93.491","0.002","100.629","0.003","3858.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H118 N12 O43 S6 -","- C44 H118 N12 O43 S6 -","- C88 H236 N24 O86 S12 -","2","1","","Rhaman, Md Mhahabubur; Ahmed, Lucky; Wang, Jing; Powell, Douglas R.; Leszczynski, Jerzy; Hossain, Md Alamgir","Encapsulation and selectivity of sulfate with a furan-based hexaazamacrocyclic receptor in water.","Organic & biomolecular chemistry","2014","12","13","2045","2048","10.1039/c4ob00116h","","","0.71073","MoKα","","0.072","0.0502","","","0.1278","0.144","","","","","","1.004","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153665","5.9357","0.0012","8.96","0.003","20.683","0.006","90","","90","","90","","1100","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Cl2 I O3 S -","- C6 H7 Cl2 I O3 S -","- C24 H28 Cl8 I4 O12 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.","Reactions of enantiopure cyclic diols with sulfuryl chloride.","Organic & biomolecular chemistry","2014","12","13","2128","2136","10.1039/c4ob00042k","","","0.71073","MoKα","","0.0831","0.0715","","","0.184","0.1976","","","","","","1.072","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153666","7.4192","0.0004","7.6708","0.0004","8.1477","0.0005","90","","101.304","0.005","90","","454.7","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H10 Cl2 -","- C10 H10 Cl2 -","- C20 H20 Cl4 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.","Reactions of enantiopure cyclic diols with sulfuryl chloride.","Organic & biomolecular chemistry","2014","12","13","2128","2136","10.1039/c4ob00042k","","","0.71073","MoKα","","0.0368","0.0297","","","0.0578","0.0593","","","","","","1.036","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153667","6.6774","0.0001","10.9657","0.0002","11.0176","0.0002","90","","90","","90","","806.73","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Cl O4 S -","- C6 H7 Cl O4 S -","- C24 H28 Cl4 O16 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.","Reactions of enantiopure cyclic diols with sulfuryl chloride.","Organic & biomolecular chemistry","2014","12","13","2128","2136","10.1039/c4ob00042k","","","1.5418","CuKα","","0.0226","0.0225","","","0.0603","0.0603","","","","","","1.081","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153668","25.257","0.013","7.226","0.004","14.807","0.008","90","","106.999","0.006","90","","2584","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N3 -","- C15 H15 N3 -","- C120 H120 N24 -","8","2","","Zhang, Xinying; Song, Yunping; Gao, Lin; Guo, Xiaojie; Fan, Xuesen","Highly facile and regio-selective synthesis of pyrazolo[1,5-a]pyrimidines via reactions of 1,2-allenic ketones with aminopyrazoles.","Organic & biomolecular chemistry","2014","12","13","2099","2107","10.1039/c3ob42445f","","","0.71073","MoKα","","0.0849","0.0519","","","0.1307","0.1477","","","","","","1.045","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153669","5.784","0.003","16.411","0.009","13.211","0.007","90","","92.703","0.007","90","","1252.6","1.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 -","- C15 H15 N3 -","- C60 H60 N12 -","4","1","","Zhang, Xinying; Song, Yunping; Gao, Lin; Guo, Xiaojie; Fan, Xuesen","Highly facile and regio-selective synthesis of pyrazolo[1,5-a]pyrimidines via reactions of 1,2-allenic ketones with aminopyrazoles.","Organic & biomolecular chemistry","2014","12","13","2099","2107","10.1039/c3ob42445f","","","0.71073","MoKα","","0.0804","0.0484","","","0.1084","0.1257","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153670","12.698","0.009","15.704","0.011","15.785","0.019","108.667","0.014","96.252","0.014","111.779","0.01","2675","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 Br2 O -","- C13 H14 Br2 O -","- C104 H112 Br16 O8 -","8","4","","Yang, Dingqiao; Liang, Ni","Platinum-catalyzed anti-stereocontrolled ring-opening of oxabicyclic alkenes with Grignard reagents.","Organic & biomolecular chemistry","2014","12","13","2080","2086","10.1039/c3ob42199f","","","0.71073","MoKα","","0.2821","0.0789","","","0.1502","0.2223","","","","","","0.89","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153671","10.499","0.016","11.042","0.016","16.3","0.02","90","","90","","90","","1890","5","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F3 N4 O S2 -","- C16 H17 F3 N4 O S2 -","- C64 H68 F12 N16 O4 S8 -","4","1","","Mei, Haibo; Xiong, Yiwen; Xie, Chen; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Concise and scalable asymmetric synthesis of 5-(1-amino-2,2,2-trifluoroethyl)thiazolo[3,2-b][1,2,4]triazoles.","Organic & biomolecular chemistry","2014","12","13","2108","2113","10.1039/c3ob42348d","","","0.71073","MoKα","","0.0756","0.0653","","","0.1634","0.1708","","","","","","1.024","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7153672","5.8798","0.0003","10.8995","0.0004","26.8261","0.0013","90","","95.626","0.005","90","","1710.92","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Wang, Xu; Pan, Ying-Ming; Huang, Xiao-Chao; Mao, Zhong-Yuan; Wang, Heng-Shan","A novel methodology for synthesis of dihydropyrazole derivatives as potential anticancer agents.","Organic & biomolecular chemistry","2014","12","13","2028","2032","10.1039/c3ob42432d","","","0.7107","MoKα","","0.1049","0.0599","","","0.1298","0.1574","","","","","","1.034","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153673","6.2718","0.0019","18.621","0.006","19.391","0.006","82.717","0.006","84.77","0.006","86.359","0.006","2233.9","1.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N4 O6 Si -","- C20 H24 N4 O6 Si -","- C80 H96 N16 O24 Si4 -","4","2","","Roy, Arundhati; Datar, Avdhoot; Kand, Dnyaneshwar; Saha, Tanmoy; Talukdar, Pinaki","A fluorescent off-on NBD-probe for F(-) sensing: theoretical validation and experimental studies.","Organic & biomolecular chemistry","2014","12","13","2143","2149","10.1039/c3ob41886c","","","0.71073","MoKα","","0.1875","0.0793","","","0.1806","0.2393","","","","","","0.947","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153674","13.7177","0.001","27.048","0.002","18.9817","0.0014","90","","92.5526","0.0012","90","","7035.9","0.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","[CB4(Ph(OC2H4NH3)2)2]Cl4.nH2O","[CB4(Ph(OC2H4NH3)2)2]Cl4.nH2O","","- C50 H94.28 Cl4 N20 O25.14 -","- C50 H68 Cl2.2785 N20 O16.39 -","- C200 H272 Cl9.114 N80 O65.56 -","4","2","","Zhang, Ben; Zavalij, Peter Y.; Isaacs, Lyle","Acyclic CB[n]-type molecular containers: effect of solubilizing group on their function as solubilizing excipients.","Organic & biomolecular chemistry","2014","12","15","2413","2422","10.1039/c3ob42603c","","","0.71073","MoKα","","0.0583","0.0529","","","0.121","0.1234","","","","","","1.011","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153675","29.339","0.003","13.8631","0.0013","29.715","0.003","90","","99.2288","0.0016","90","","11930","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tetra hydroxyl CB","Tetra hydroxyl CB","","- C100 H155 N32 O49.5 -","- C100 H134 N32 O49.533 -","- C400 H536 N128 O198.132 -","4","1","","Zhang, Ben; Zavalij, Peter Y.; Isaacs, Lyle","Acyclic CB[n]-type molecular containers: effect of solubilizing group on their function as solubilizing excipients.","Organic & biomolecular chemistry","2014","12","15","2413","2422","10.1039/c3ob42603c","","","0.71073","MoKα","","0.0735","0.0587","","","0.1158","0.1208","","","","","","1.005","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153676","14.868","0.004","9.506","0.003","11.977","0.004","90","","111.598","0.003","90","","1573.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 F6 N3 -","- C18 H9 F6 N3 -","- C72 H36 F24 N12 -","4","1","","Huang, Shengdian; Qing, Jie; Wang, Shuo; Wang, Huan; Zhang, Linqi; Tang, Yefeng","Design and synthesis of imidazo[1,2-α][1,8]naphthyridine derivatives as anti-HCV agents via direct C-H arylation.","Organic & biomolecular chemistry","2014","12","15","2344","2348","10.1039/c3ob42525h","","","0.71073","MoKα","","0.0627","0.0554","","","0.1412","0.1472","","","","","","1.14","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153677","13.8234","0.0014","14.4667","0.0014","24.486","0.002","90","","90","","90","","4896.7","0.8","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H33 N3 O -","- C29 H33 N3 O -","- C232 H264 N24 O8 -","8","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander","Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.","Organic & biomolecular chemistry","2014","12","15","2360","2369","10.1039/c3ob41986j","","","0.71073","MoKα","","0.0982","0.0495","","","0.1019","0.1239","","","","","","1.023","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153678","21.585","0.001","7.8022","0.0004","15.6198","0.0008","90","","95.68","0.001","90","","2617.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl N3 O5 -","- C29 H34 Cl N3 O5 -","- C116 H136 Cl4 N12 O20 -","4","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander","Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.","Organic & biomolecular chemistry","2014","12","15","2360","2369","10.1039/c3ob41986j","","","0.71073","MoKα","","0.0569","0.0407","","","0.1005","0.1104","","","","","","1.019","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153679","12.8809","0.0006","8.8823","0.0004","13.1761","0.0006","90","","97.955","0.001","90","","1493","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 B F4 N2 -","- C16 H19 B F4 N2 -","- C64 H76 B4 F16 N8 -","4","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander","Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.","Organic & biomolecular chemistry","2014","12","15","2360","2369","10.1039/c3ob41986j","","","0.71073","MoKα","","0.0417","0.0346","","","0.092","0.0975","","","","","","1.012","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153680","7.7069","0.001","10.4968","0.0014","11.1874","0.0015","93.206","0.002","102.273","0.002","104.014","0.002","852.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cl N O4 -","- C17 H16 Cl N O4 -","- C34 H32 Cl2 N2 O8 -","2","1","","Xin, Xiaoqing; Zhang, Qian; Liang, Yongjiu; Zhang, Rui; Dong, Dewen","Tandem halogenation/Michael-initiated ring-closing reaction of α,β-unsaturated nitriles and activated methylene compounds: one-pot diastereoselective synthesis of functionalized cyclopropanes.","Organic & biomolecular chemistry","2014","12","15","2427","2435","10.1039/c4ob00087k","","","0.71073","MoKα","","0.0763","0.0631","","","0.1618","0.1744","","","","","","1.072","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153681","12.7311","0.001","15.7373","0.0013","9.2462","0.0007","90","","104.025","0.002","90","","1797.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Nitro-<i>9H</i>-3,9'-bicarbazole","","- C24 H15 N3 O2 -","- C24 H15 N3 O2 -","- C96 H60 N12 O8 -","4","1","","Hung, Tran Quang; Thang, Ngo Ngoc; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter","Efficient synthesis of biscarbazoles by palladium-catalyzed twofold C-N coupling and C-H activation reactions.","Organic & biomolecular chemistry","2014","12","16","2596","2605","10.1039/c3ob41746h","","","0.71073","MoKα","","0.1302","0.0547","","","0.0953","0.1219","","","","","","1.009","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153682","12.6024","0.0005","7.6803","0.0002","19.048","0.0007","90","","102.443","0.002","90","","1800.35","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Methoxy-<i>9H</i>-2,9'-bicarbazole","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","","Hung, Tran Quang; Thang, Ngo Ngoc; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter","Efficient synthesis of biscarbazoles by palladium-catalyzed twofold C-N coupling and C-H activation reactions.","Organic & biomolecular chemistry","2014","12","16","2596","2605","10.1039/c3ob41746h","","","0.71073","MoKα","","0.0847","0.0514","","","0.1156","0.1352","","","","","","1.028","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153683","10.764","0.003","12.052","0.004","17.532","0.005","90","","107.151","0.007","90","","2173.2","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 F N2 -","- C27 H23 F N2 -","- C108 H92 F4 N8 -","4","1","","Li, Jian; Wang, Hongni; Sun, Jiangtao; Yang, Yang; Liu, Li","Mild gold-catalyzed three-component dehydrogenative coupling of terminal alkynes to amines and indole-2-carboxaldehyde.","Organic & biomolecular chemistry","2014","12","16","2523","2527","10.1039/c3ob42431f","","","0.71073","MoKα","","0.1725","0.11","","","0.2706","0.3547","","","","","","1.106","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153684","12.368","0.012","13.474","0.014","13.097","0.013","90","","102.866","0.017","90","","2128","4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(Tert-butyldimethylsilyloxy)-6-methoxy-1-phenyl-3, 3a, 4, 8b- tetrahydro-1H- indeno [1, 2-c] isoxazole","","- C23 H31 N O3 Si -","- C23 H31 N O3 Si -","- C92 H124 N4 O12 Si4 -","4","1","","Dulla, Balakrishna; Tangellamudi, Neelima D.; Balasubramanian, Sridhar; Yellanki, Swapna; Medishetti, Raghavender; Kumar Banote, Rakesh; Hari Chaudhari, Girish; Kulkarni, Pushkar; Iqbal, Javed; Reiser, Oliver; Pal, Manojit","Isovanillin derived N-(un)substituted hydroxylamines possessing an ortho-allylic group: valuable precursors to bioactive N-heterocycles.","Organic & biomolecular chemistry","2014","12","16","2552","2558","10.1039/c3ob42460j","","","0.71073","MoKα","","0.0567","0.0506","","","0.1381","0.1448","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153685","11.395","0.004","7.21","0.002","17.653","0.005","90","","110.39","0.018","90","","1359.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F N O2 -","- C17 H12 F N O2 -","- C68 H48 F4 N4 O8 -","4","1","","Ding, Dong; Liu, Gang; Xu, Guangyang; Li, Jian; Wang, Guoping; Sun, Jiangtao","Palladium catalyzed N-H bond insertion and intramolecular cyclization cascade: the divergent synthesis of heterocyclics.","Organic & biomolecular chemistry","2014","12","16","2533","2537","10.1039/c4ob00001c","","","0.71073","MoKα","","0.1061","0.0689","","","0.2064","0.2428","","","","","","1.021","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153686","13.7868","0.0003","9.5016","0.0002","10.9971","0.0003","90","","104.522","0.001","90","","1394.56","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","","Wu, Xiao-Feng; Oschatz, Stefan; Block, Axel; Spannenberg, Anke; Langer, Peter","Base mediated synthesis of 2-aryl-2,3-dihydroquinazolin-4(1H)-ones from 2-aminobenzonitriles and aromatic aldehydes in water.","Organic & biomolecular chemistry","2014","12","12","1865","1870","10.1039/c3ob42434k","","","1.54178","CuKα","","0.0349","0.0329","","","0.0857","0.0878","","","","","","1.042","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153687","7.9294","0.0012","12.763","0.002","16.761","0.003","96.664","0.017","99.981","0.017","97.378","0.014","1640.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2,3-Dichloro-N-[1-methyl-4-(methyloxy)-1H-indazol-3-yl]benzenesulfonamide","","- C15 H13 Cl2 N3 O3 S -","- C15 H13 Cl2 N3 O3 S -","- C60 H52 Cl8 N12 O12 S4 -","4","2","","Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.","Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.","Organic & biomolecular chemistry","2014","12","11","1779","1792","10.1039/c3ob42443j","","","0.71073","MoKα","","0.0354","0.0277","","","0.0682","0.0735","","","","","","1.086","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153688","9.0361","0.0016","20.725","0.002","21.381","0.006","90","","96.612","0.016","90","","3977.5","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,3-Dichloro-N-[6-chloro-3-({[2-(hydroxymethyl)phenyl]methyl}oxy)-2- pyrazinyl]benzenesulfonamide","","- C18 H14 Cl3 N3 O4 S -","- C18 H14 Cl3 N3 O4 S -","- C144 H112 Cl24 N24 O32 S8 -","8","2","","Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.","Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.","Organic & biomolecular chemistry","2014","12","11","1779","1792","10.1039/c3ob42443j","","","0.71073","MoKα","","0.1002","0.0615","","","0.1476","0.1716","","","","","","1.069","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153689","7.5758","0.0009","8.7573","0.0009","23.065","0.002","90","","91.905","0.008","90","","1529.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,3-Dichloro-N-[2-(1H-pyrazol-1-yl)phenyl]benzenesulfonamide","","- C15 H11 Cl2 N3 O2 S -","- C15 H11 Cl2 N3 O2 S -","- C60 H44 Cl8 N12 O8 S4 -","4","1","","Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.","Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.","Organic & biomolecular chemistry","2014","12","11","1779","1792","10.1039/c3ob42443j","","","0.71073","MoKα","","0.0456","0.0367","","","0.0858","0.0949","","","","","","1.083","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153690","7.439","0.0009","8.477","0.0012","13.0579","0.0015","88.763","0.011","84.177","0.01","64.88","0.013","741.5","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2,3-Dichloro-N-[2-(1H-tetrazol-1-yl)phenyl]benzenesulfonamide","","- C13 H9 Cl2 N5 O2 S -","- C13 H9 Cl2 N5 O2 S -","- C26 H18 Cl4 N10 O4 S2 -","2","1","","Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.","Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.","Organic & biomolecular chemistry","2014","12","11","1779","1792","10.1039/c3ob42443j","","","0.71073","MoKα","","0.0461","0.0358","","","0.0802","0.0872","","","","","","1.03","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153691","5.29","","6.432","","12.429","","86.64","","88.36","","65.8","","385.068","","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H26 O3 S -","- C15 H26 O3 S -","- C15 H26 O3 S -","1","1","","Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo","Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide.","Organic & biomolecular chemistry","2014","12","14","2180","2184","10.1039/c4ob00173g","","","0.71073","MoKα","","0.0857","0.0663","","","0.1611","0.1777","","","","","","0.944","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153692","11.471","","7.889","","15.246","","90","","93.54","","90","","1377.05","","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo","Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide.","Organic & biomolecular chemistry","2014","12","14","2180","2184","10.1039/c4ob00173g","","","0.71073","MoKα","","0.095","0.0547","","","0.1239","0.1438","","","","","","1.032","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153693","7.3715","0.0004","9.3781","0.0007","12.8371","0.0012","96.36","0.007","99.202","0.007","111.905","0.006","798.57","0.12","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Br N O -","- C21 H14 Br N O -","- C42 H28 Br2 N2 O2 -","2","1","","Yadav, Pratik; Singh, Surjeet; Sahu, Satya Narayan; Hussain, Firasat; Pratap, Ramendra","Microwave assisted base dependent regioselective synthesis of partially reduced chromenes, isochromenes and phenanthrenes.","Organic & biomolecular chemistry","2014","12","14","2228","2234","10.1039/c3ob41962b","","","0.71073","MoKα","","0.0892","0.0759","","","0.2085","0.2198","","","","","","1.097","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153694","11.0704","0.0014","22.732","0.003","13.049","0.0017","90","","104.428","0.007","90","","3180.2","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 S -","- C19 H16.25 N2 S -","- C152 H130 N16 S8 -","8","4","","Liu, Ge; Kong, Lichun; Shen, Ji; Zhu, Gangguo","A regio- and stereoselective entry to (Z)-β-halo alkenyl sulfides and their applications to access stereodefined trisubstituted alkenes.","Organic & biomolecular chemistry","2014","12","14","2310","2321","10.1039/c4ob00103f","","","0.71073","MoKα","","","0.0785","","","0.1706","0.2387","","","","","","0.913","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153695","6.4986","0.0013","7.2522","0.0015","40.288","0.008","90","","90","","90","","1898.7","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl3 N O3 -","- C18 H20 Cl3 N O3 -","- C72 H80 Cl12 N4 O12 -","4","1","","Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.","Organic & biomolecular chemistry","2014","12","14","2167","2171","10.1039/c4ob00114a","","","0.71073","MoKα","","0.0595","0.0519","","","0.173","0.1892","","","","","","1.38","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153696","5.8326","0.0012","8.921","0.0018","40.497","0.008","90","","90","","90","","2107.2","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O6 S -","- C22 H23 N O6 S -","- C88 H92 N4 O24 S4 -","4","1","","Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.","Organic & biomolecular chemistry","2014","12","14","2167","2171","10.1039/c4ob00114a","","","0.71073","MoKα","","0.0905","0.0708","","","0.1263","0.1377","","","","","","1.094","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153697","9.4908","0.0018","11.747","0.002","23.965","0.005","90","","90","","90","","2671.8","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cl3 N O -","- C12 H12 Cl3 N O -","- C96 H96 Cl24 N8 O8 -","8","2","","Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.","Organic & biomolecular chemistry","2014","12","14","2167","2171","10.1039/c4ob00114a","","","0.71073","MoKα","","0.0386","0.0374","","","0.0947","0.0953","","","","","","1.109","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153698","7.1858","0.0003","21.2747","0.0008","8.7923","0.0004","90","","97.085","0.004","90","","1333.87","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","2","","Górecki, Marcin; Suszczyńska, Agata; Woźnica, Magdalena; Baj, Aneta; Wolniak, Michał; Cyrański, Michał K; Witkowski, Stanisław; Frelek, Jadwiga","Chromane helicity rule - scope and challenges based on an ECD study of various trolox derivatives.","Organic & biomolecular chemistry","2014","12","14","2235","2254","10.1039/c3ob42376j","","","0.71073","MoKα","","0.0504","0.0458","","","0.1211","0.1246","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153699","17.928","0.004","21.795","0.004","26.597","0.005","68.93","0.03","79.43","0.03","73.05","0.03","9240","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H93.5 F12 N4.5 O16 P2 -","- C79 H93.5 F12 N4.5 O16 P2 -","- C316 H374 F48 N18 O64 P8 -","4","2","","Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng","Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.","Organic & biomolecular chemistry","2014","12","18","2850","2853","10.1039/c4ob00310a","","","0.71073","MoKα","","0.1368","0.098","","","0.2526","0.2765","","","","","","1.293","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153700","33.928","0.007","26.606","0.005","41.298","0.008","90","","112.64","0.03","90","","34407","14","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H83 F12 N2 O16 P2 -","- C74 H83 F12 N2 O16 P2 -","- C1184 H1328 F192 N32 O256 P32 -","16","2","","Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng","Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.","Organic & biomolecular chemistry","2014","12","18","2850","2853","10.1039/c4ob00310a","","","0.71073","MoKα","","0.1696","0.12","","","0.2932","0.3159","","","","","","1.352","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153701","12.547","0.002","16.146","0.003","21.955","0.004","109.304","0.004","91.346","0.003","91.789","0.003","4192.9","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H102 F12 N4 O17 P2 -","- C86 H102 F12 N4 O17 P2 -","- C172 H204 F24 N8 O34 P4 -","2","1","","Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng","Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.","Organic & biomolecular chemistry","2014","12","18","2850","2853","10.1039/c4ob00310a","","","0.71073","MoKα","","0.1187","0.1017","","","0.2583","0.2755","","","","","","1.11","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153702","5.2268","0.0005","8.9268","0.0009","19.809","0.002","90","","92.227","0.002","90","","923.56","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cl O3 -","- C9 H11 Cl O3 -","- C36 H44 Cl4 O12 -","4","1","","Yin, Zhiwei; Zhang, Jinzhu; Wu, Jing; Green, Riana; Li, Sihan; Zheng, Shengping","Synthesis of o-chlorophenols via an unexpected nucleophilic chlorination of quinone monoketals mediated by N,N'-dimethylhydrazine dihydrochloride.","Organic & biomolecular chemistry","2014","12","18","2854","2858","10.1039/c4ob00391h","","","0.71073","MoKα","","0.0266","0.026","","","0.0694","0.0699","","","","","","1.073","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153703","20.214","0.003","10.0193","0.0013","8.196","0.0011","90","","95.8337","0.0018","90","","1651.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Cl O3 -","- C8 H9 Cl O3 -","- C64 H72 Cl8 O24 -","8","2","","Yin, Zhiwei; Zhang, Jinzhu; Wu, Jing; Green, Riana; Li, Sihan; Zheng, Shengping","Synthesis of o-chlorophenols via an unexpected nucleophilic chlorination of quinone monoketals mediated by N,N'-dimethylhydrazine dihydrochloride.","Organic & biomolecular chemistry","2014","12","18","2854","2858","10.1039/c4ob00391h","","","0.71073","MoKα","","0.0286","0.0259","","","0.0643","0.0662","","","","","","1.052","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153704","10.1157","0.0003","21.1608","0.0004","10.7272","0.0003","90","","116.05","0.003","90","","2062.95","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O3 -","- C28 H24 O3 -","- C112 H96 O12 -","4","1","","Zhu, Shifa; Hu, Lang; Jiang, Huanfeng","Gold-catalyzed tandem Diels-Alder reactions of enynals/enynones with alkenes: generation and trapping of cyclic o-QDMs.","Organic & biomolecular chemistry","2014","12","24","4104","4111","10.1039/c4ob00321g","","","1.54178","CuKα","","0.043","0.0365","","","0.1116","0.1219","","","","","","0.873","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153705","12.1109","0.0016","12.2037","0.0016","13.4259","0.0018","90","","91.302","0.002","90","","1983.8","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O3 -","- C28 H22 O3 -","- C112 H88 O12 -","4","1","","Zhu, Shifa; Hu, Lang; Jiang, Huanfeng","Gold-catalyzed tandem Diels-Alder reactions of enynals/enynones with alkenes: generation and trapping of cyclic o-QDMs.","Organic & biomolecular chemistry","2014","12","24","4104","4111","10.1039/c4ob00321g","","","0.71073","MoKα","","0.0589","0.0418","","","0.1055","0.1173","","","","","","1.027","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153706","10.7084","0.0006","11.0671","0.0007","12.0232","0.0007","78.662","0.002","84.243","0.002","61.179","0.002","1223.99","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 I N3 O4 -","- C23 H30 I N3 O4 -","- C46 H60 I2 N6 O8 -","2","1","","Chand, S Sarath; Saranya, S; Preethanuj, P; Dhanya, B P; Jijy, E; Prakash, Praveen; Sasidhar, B S; Szymoniak, Jan; Santhini, P V; Radhakrishnan, K V","Trapping the Lewis acid generated transient species from pentafulvene derived diazanorbornenes with ortho-functionalized aryl iodides and aliphatic alcohols.","Organic & biomolecular chemistry","2014","12","19","3045","3061","10.1039/c4ob00031e","","","0.71073","MoKα","","0.0668","0.0598","","","0.1599","0.1722","","","","","","1.119","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153707","10.212","0.003","11.258","0.003","17.747","0.004","90","","98.985","0.004","90","","2015.3","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br3 N O3 S -","- C18 H18 Br3 N O3 S -","- C72 H72 Br12 N4 O12 S4 -","4","1","","Gopi, Elumalai; Namboothiri, Irishi N. N.","Synthesis of α-tribromomethylamines via Mg-mediated addition of bromoform to imines.","Organic & biomolecular chemistry","2014","12","17","2769","2777","10.1039/c4ob00259h","","","0.71073","MoKα","","0.0351","0.0286","","","0.0584","0.06","","","","","","0.972","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153708","15.502","0.001","13.181","0.001","40.203","0.001","90","","96.52","0.05","90","","8161.6","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","para hexa nitro calix[6]arene TMPA, acetone solvate","","","- C74.05 H69.11 N11 O25.68 -","- C74.053 H69.11 N11 O25.683 -","- C296.212 H276.44 N44 O102.732 -","4","1","","Brugnara, Andrea; Fusaro, Luca; Luhmer, Michel; Prangé, Thierry; Colasson, Benoit; Reinaud, Olivia","An induced-fit process through mechanical pivoting of aromatic walls in host-guest chemistry of calix[6]arene aza-cryptands.","Organic & biomolecular chemistry","2014","12","17","2754","2760","10.1039/c4ob00304g","","","0.982","synchrotron","","0.0824","0.0821","","","0.2222","0.2222","","","","","","1.156","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153709","17.5956","0.0013","7.1768","0.0004","18.6281","0.0012","90","","114.02","0.004","90","","2148.7","0.3","137.6","","137.6","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 F3 N3 O6 -","- C18 H28 F3 N3 O6 -","- C72 H112 F12 N12 O24 -","4","1","","Lee, Woohyung; Kwon, Sunmi; Kang, Philjae; Guzei, Ilia A.; Choi, Soo Hyuk","Helical folding of α/β-peptides containing β-amino acids with an eight-membered ring constraint.","Organic & biomolecular chemistry","2014","12","17","2641","2644","10.1039/c4ob00266k","","","0.71073","MoKα","","0.0368","0.0315","","","0.067","0.0713","","","","","","1.086","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153710","27.66","0.002","10.3977","0.0011","31.516","0.002","90","","115.635","0.007","90","","8171.8","1.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Cl3 N5 O8 -","- C36 H54 Cl3 N5 O8 -","- C288 H432 Cl24 N40 O64 -","8","2","","Lee, Woohyung; Kwon, Sunmi; Kang, Philjae; Guzei, Ilia A.; Choi, Soo Hyuk","Helical folding of α/β-peptides containing β-amino acids with an eight-membered ring constraint.","Organic & biomolecular chemistry","2014","12","17","2641","2644","10.1039/c4ob00266k","","x-ray","1.54178","CuKα","K-L~3~","0.0651","0.0571","","","0.1425","0.1492","","","","","","1.02","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153711","9.5371","0.0007","14.1962","0.001","21.2896","0.0015","90","","97.626","0.002","90","","2856.9","0.4","149.9","","149.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl3 N3 O6 -","- C22 H38 Cl3 N3 O6 -","- C88 H152 Cl12 N12 O24 -","4","1","","Lee, Woohyung; Kwon, Sunmi; Kang, Philjae; Guzei, Ilia A.; Choi, Soo Hyuk","Helical folding of α/β-peptides containing β-amino acids with an eight-membered ring constraint.","Organic & biomolecular chemistry","2014","12","17","2641","2644","10.1039/c4ob00266k","","","0.71073","MoKα","","0.0839","0.054","","","0.1399","0.1626","","","","","","0.938","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153712","23.3123","0.0004","14.7753","0.0002","18.256","0.0003","90","","90","","90","","6288.21","0.17","106","","106","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H28 N4 O4 -","- C38 H28 N4 O4 -","- C304 H224 N32 O32 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.0375","","","","0.0994","","","","","","1.072","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153713","11.1289","0.0004","12.3596","0.0004","12.6371","0.0004","102.539","0.002","96.811","0.002","113.934","0.0018","1508.68","0.09","108","","108","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H28 N4 O2 -","- C38 H28 N4 O2 -","- C76 H56 N8 O4 -","2","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.044","","","","0.1348","","","","","","1.096","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153714","13.0039","0.0003","14.398","0.0003","18.6793","0.0004","99.561","0.007","91.793","0.007","103.561","0.007","3343.59","0.18","117","","117","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 Cl2 N4 O3 -","- C38 H26 Cl2 N4 O3 -","- C152 H104 Cl8 N16 O12 -","4","2","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.0784","","","","0.1922","","","","","","1.021","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153715","15.9572","0.0003","8.7817","0.0002","16.7713","0.0003","90","","91.2657","0.0012","90","","2349.61","0.08","117","2","117","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H44 Cl4 O4 -","- C60 H44 Cl4 O4 -","- C120 H88 Cl8 O8 -","2","0.5","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.0601","0.0449","","","0.1171","0.1301","","","","","","1.072","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153716","28.4477","0.0018","10.8997","0.0006","23.5205","0.0014","90","","98.339","0.003","90","","7215.9","0.7","117","2","117","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Cl2 N3 O3 -","- C36 H21 Cl2 N3 O3 -","- C288 H168 Cl16 N24 O24 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.1457","0.0839","","","0.2156","0.2747","","","","","","0.985","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153717","7.5275","0.0001","27.5908","0.0006","26.168","0.0006","90","","90","","90","","5434.83","0.19","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H28 O2 -","- C32 H28 O2 -","- C256 H224 O16 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.084","0.0631","","","0.1804","0.1934","","","","","","1.099","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153718","20.9635","0.0003","13.2472","0.0002","22.6274","0.0004","90","","90","","90","","6283.8","0.17","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H28 N4 O4 -","- C38 H28 N4 O4 -","- C304 H224 N32 O32 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.1275","","","","0.2983","","","","","","1.042","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153719","28.1011","0.0005","10.9295","0.0002","23.4906","0.0004","90","","97.8432","0.001","90","","7147.2","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H27 N3 O3 -","- C38 H27 N3 O3 -","- C304 H216 N24 O24 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.1127","0.0644","","","0.1592","0.1923","","","","","","0.998","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153720","10.0721","0.0002","13.6832","0.0003","23.3065","0.0004","90","","95.6174","0.0009","90","","3196.64","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 N3 O5 -","- C38 H27 N3 O5 -","- C152 H108 N12 O20 -","4","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.0701","0.0426","","","0.1027","0.1368","","","","","","1.118","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153721","8.7226","0.0016","19.987","0.004","9.9442","0.0019","90","","114.349","0.003","90","","1579.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Zhang, Jiajun; Li, Pinhua; Wang, Lei","KOAc-promoted alkynylation of α-C-H bonds of ethers with alkynyl bromides under transition-metal-free conditions.","Organic & biomolecular chemistry","2014","12","18","2969","2978","10.1039/c4ob00002a","","","0.71073","MoKα","","0.0667","0.0475","","","0.122","0.1376","","","","","","1.045","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153722","9.2718","0.0019","9.5841","0.0014","10.492","0.0015","73.388","0.013","84.716","0.014","79.196","0.015","876.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","","Goutham, Kommuru; Mangina, N. S. V. M. Rao; Suresh, Surisetti; Raghavaiah, Pallepogu; Karunakar, Galla V.","Gold-catalysed cyclisation of N-propargylic β-enaminones to form 3-methylene-1-pyrroline derivatives.","Organic & biomolecular chemistry","2014","12","18","2869","2873","10.1039/c3ob42513d","","","0.71073","MoKα","","0.0961","0.051","","","0.0894","0.1096","","","","","","0.978","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153723","15.7704","0.0009","17.0399","0.0009","17.7847","0.0009","82.212","0.001","72.642","0.002","85.179","0.002","4514.7","0.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C48.5 H48.5 Cl1.5 N2 S -","- C48.5 H48.5 Cl1.5 N2 S -","- C194 H194 Cl6 N8 S4 -","4","2","","Maeda, Chihiro; Masuda, Motoki; Yoshioka, Naoki","Synthesis of carbazole-based hetero-core-modified porphyrins.","Organic & biomolecular chemistry","2014","12","17","2656","2662","10.1039/c3ob42564a","","","0.71073","MoKα","","0.0885","0.0642","","","0.1751","0.1934","","","","","","1.106","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153724","8.6058","0.0004","7.5126","0.0003","22.4696","0.0008","90","","97.873","0.002","90","","1439.01","0.1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10,10-diethyl-2-(2-hydroxyethyl)-6,8-dioxo-6,7,8,10-tetrahydro-1H-imidazo- [2',1:3,4][1,4,2]diazaborolo[1,5-c]pyrimidin-4-iunm-10-uide","","- C13 H19 B N4 O3 -","- C13 H19 B N4 O3 -","- C52 H76 B4 N16 O12 -","4","1","","Zhang, Jiaxi; Pidlypnyi, Nazar; Nieger, Martin; Namyslo, Jan C.; Schmidt, Andreas","Zwitterionic borane adducts of N-heterocyclic carbenes from mesomeric betaines of uracil.","Organic & biomolecular chemistry","2014","12","17","2737","2744","10.1039/c3ob42462f","","","0.71073","MoKα","","0.1047","0.0906","","","0.2091","0.2201","","","","","","1.061","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153725","35.612","0.003","8.829","0.001","11.287","0.001","90","","90","","90","","3548.8","0.6","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-benzyl-10,10-diethyl-6,8-dioxo-6,7,8,10-tetrahydro-1H-imidazo [2',1:3,4][1,4,2]diazaborolo[1,5-c]pyrimidin-4-ium-10-uide","","- C18 H21 B N4 O2 -","- C18 H21 B N4 O2 -","- C144 H168 B8 N32 O16 -","8","2","","Zhang, Jiaxi; Pidlypnyi, Nazar; Nieger, Martin; Namyslo, Jan C.; Schmidt, Andreas","Zwitterionic borane adducts of N-heterocyclic carbenes from mesomeric betaines of uracil.","Organic & biomolecular chemistry","2014","12","17","2737","2744","10.1039/c3ob42462f","","","0.71073","MoKα","","0.0624","0.0505","","","0.112","0.1174","","","","","","1.12","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153726","10.0503","0.0002","10.952","0.0002","11.2054","0.0003","74.3842","0.0008","68.6115","0.0008","80.1552","0.0012","1102.4","0.04","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C54 H58 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","0.71073","MoKα","","0.0525","0.0409","","0.109","0.0961","0.109","","","","","","0.9333","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153727","8.66504","0.00013","9.9818","0.0002","18.4067","0.0004","90","","90","","90","","1592.05","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.54184","CuKα","","0.0339","0.0323","","0.0839","0.0811","0.0826","","","","","","1.0003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153728","11.23757","0.0001","11.23757","0.0001","31.9939","0.0003","90","","90","","120","","3498.99","0.05","150","","150","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C162 H174 N6 O12 -","6","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0336","0.033","","0.0854","0.0849","0.0854","","","","","","1.0089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153729","9.7215","0.0003","13.5384","0.0002","10.1187","0.0003","90","","116.959","0.003","90","","1187.04","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H31 N O2 -","- C28 H31 N O2 -","- C56 H62 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.54184","CuKα","","0.0383","0.0368","","0.1008","0.0986","0.1007","","","","","","0.9976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153730","10.27494","0.00011","10.27815","0.0001","12.21513","0.00016","90","","107.27","0.0013","90","","1231.85","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H33 N O2 -","- C29 H33 N O2 -","- C58 H66 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.54184","CuKα","","0.0293","0.0282","","0.0763","0.0748","0.0763","","","","","","0.9348","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153731","12.4852","0.0002","9.9345","0.0002","15.0329","0.0003","90","","100.016","0.0009","90","","1836.17","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H29 N O2 -","- C18 H29 N O2 -","- C72 H116 N4 O8 -","4","2","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","0.71073","MoKα","","0.0491","0.0434","","0.1086","0.1031","0.1086","","","","","","0.9156","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153732","12.315","0.0001","15.4817","0.0002","29.8308","0.0003","90","","90","","90","","5687.45","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34.5 H36 N O2.5 -","- C34.5 H36 N O2.5 -","- C276 H288 N8 O20 -","8","2","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0454","0.0439","","0.1179","0.1164","0.1179","","","","","","0.9978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153733","8.93933","0.00011","14.19427","0.00018","10.40085","0.00016","90","","98.842","0.0013","90","","1304.05","0.03","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 B F4 N O2 -","- C27 H36 B F4 N O2 -","- C54 H72 B2 F8 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0285","0.0275","","0.0696","0.0686","0.0695","","","","","","0.9882","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153734","10.7026","0.0007","15.0868","0.0009","16.8872","0.0008","90","","90","","90","","2726.7","0.3","150","","150","","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C31 H35 N O2 -","- C31 H35 N O2 -","- C124 H140 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0794","0.074","","0.2054","0.1998","0.2054","","","","","","0.9966","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153735","5.421","0.0001","8.9375","0.0003","11.4409","0.0003","90","","101.827","0.0012","90","","542.55","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H18 Cl N O2 -","- C9 H18 Cl N O2 -","- C18 H36 Cl2 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","0.71073","MoKα","","0.0254","0.0242","","0.0563","0.0553","0.0563","","","","","","1.0066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153736","21.828","0.004","9.4747","0.0016","22.495","0.004","90","","95.114","0.01","90","","4633.8","1.4","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C108 H136 N12 -","- C102.263 H123.569 N12 -","- C204.526 H247.139 N24 -","2","0.5","","Schweighauser, Luca; Häussinger, Daniel; Neuburger, Markus; Wegner, Hermann A.","Symmetry as a new element to control molecular switches.","Organic & biomolecular chemistry","2014","12","21","3371","3379","10.1039/c4ob00230j","","","0.71073","MoKα","","0.1755","0.0633","","0.1986","0.0657","0.0778","","","","","","1.053","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153737","6.3212","0.0016","7.4318","0.0019","33.967","0.009","90","","90","","90","","1595.7","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.0939","0.0478","","","0.0928","0.1132","","","","","","1","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153738","14.2395","0.0019","7.5461","0.001","32.144","0.004","90","","90","","90","","3454","0.8","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H17 N -","- C25 H17 N -","- C200 H136 N8 -","8","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.1219","0.0498","","","0.1021","0.1364","","","","","","0.993","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153739","15.95","0.02","7.413","0.01","6.299","0.009","90","","94.011","0.018","90","","743","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 F N -","- C21 H14 F N -","- C42 H28 F2 N2 -","2","0.5","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.1626","0.0663","","","0.1535","0.1912","","","","","","1.048","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153740","12.397","0.005","13.109","0.005","13.546","0.005","90","","93.129","0.005","90","","2198.1","1.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 N O2 -","- C29 H23 N O2 -","- C116 H92 N4 O8 -","4","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.086","0.0494","","","0.1221","0.1421","","","","","","1.035","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153741","13.9977","0.0016","10.9009","0.0012","18.025","0.002","90","","101.979","0.001","90","","2690.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Cl Fe N4 Pd -","- C31 H27 Cl Fe N4 Pd -","- C124 H108 Cl4 Fe4 N16 Pd4 -","4","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.0598","0.0362","","","0.0772","0.0888","","","","","","1","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153742","16.077","0.002","12.6076","0.0017","37.742","0.005","90","","90","","90","","7650","1.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C41 H47 Cl Fe N4 Pd -","- C41 H47 Cl Fe N4 Pd -","- C328 H376 Cl8 Fe8 N32 Pd8 -","8","2","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.0766","0.0525","","","0.1301","0.1462","","","","","","1.049","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153743","7.925","0.0016","11.508","0.002","17.714","0.004","73.96","0.03","81.78","0.03","81.29","0.03","1526","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N2 O4 S -","- C36 H34 N2 O4 S -","- C72 H68 N4 O8 S2 -","2","1","","Kobayashi, Satoru; Kudo, Kenji; Ito, Ai; Hirama, Satoru; Otani, Takashi; Saito, Takao","The diene-transmissive hetero-Diels-Alder reaction of 2-vinyl α,β-unsaturated aldimines: stereoselective synthesis of hexahydroquinazolin-2-ones.","Organic & biomolecular chemistry","2014","12","24","4061","4064","10.1039/c4ob00224e","","","0.71073","MoKα","","0.0835","0.0678","","","0.1534","0.1643","","","","","","0.969","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153744","9.448","0.0019","13.551","0.003","34.449","0.007","84.72","0.03","86.19","0.03","87.63","0.03","4379.3","1.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 Cl N3 -","- C17 H14 Cl N3 -","- C204 H168 Cl12 N36 -","12","6","","Chen, Huoji; Yang, Wanfei; Wu, Wanqing; Jiang, Huanfeng","Palladium-catalyzed regioselective azidation of allylic C-H bonds under atmospheric pressure of dioxygen.","Organic & biomolecular chemistry","2014","12","21","3340","3343","10.1039/c4ob00442f","","","0.71073","MoKα","","0.129","0.051","","","0.1421","0.1508","","","","","","0.842","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153745","7.9687","0.0008","9.4665","0.0009","9.6211","0.0009","62.398","0.009","77.124","0.008","81.985","0.008","626.45","0.12","120","2","120","2","","","","","","","","4","P 1","P 1","1","","ethyl-4,6-di(1H-indol-3-yl)-1-phenylpiperidin-2-carboxylate","","- C30 H29 N3 O2 -","- C30 H29 N3 O2 -","- C30 H29 N3 O2 -","1","1","","Zhong, Sabilla; Nieger, Martin; Bihlmeier, Angela; Shi, Min; Bräse, Stefan","Asymmetric organocatalytic synthesis of 4,6-bis(1H-indole-3-yl)-piperidine-2 carboxylates.","Organic & biomolecular chemistry","2014","12","20","3265","3270","10.1039/c4ob00234b","","","1.54178","CuKα","","0.0263","0.026","","","0.0664","0.0666","","","","","","1.053","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153746","9.094","0.005","13.65","0.005","16.253","0.005","80.99","0.03","85.1","0.03","72.87","0.04","1902.6","1.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O2 S0 -","- C23 H21 N3 O2 -","- C92 H84 N12 O8 -","4","2","","Singh, Surjeet; Yadav, Pratik; Sahu, Satya Narayan; Althagafi, Ismail; Kumar, Abhinav; Kumar, Brijesh; Ram, Vishnu Ji; Pratap, Ramendra","Synthesis of 1-amino-2-aroyl/acetylnaphthalenes through a base mediated one pot inter and intramolecular C-C bond formation strategy.","Organic & biomolecular chemistry","2014","12","26","4730","4737","10.1039/c4ob00432a","","","0.71073","MoKα","","0.1815","0.0787","","","0.1529","0.2068","","","","","","1.01","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153747","6.4358","0.0003","12.1826","0.0007","12.7387","0.0007","103.653","0.005","103.478","0.005","95.006","0.004","933.06","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 Cl N O4 S -","- C19 H14 Cl N O4 S -","- C38 H28 Cl2 N2 O8 S2 -","2","1","","Yu, Lian; Cao, Jian","Synthesis of α,β-unsaturated amides and iminocoumarins from N,N-disulfonyl ynamides with aldehydes via the ketenimine intermediate.","Organic & biomolecular chemistry","2014","12","23","3986","3990","10.1039/c4ob00513a","","","0.71073","MoKα","","0.0601","0.0423","","","0.0986","0.1107","","","","","","1.023","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153748","6.2925","0.0005","22.0931","0.0018","15.8946","0.0013","90","","90.198","0.001","90","","2209.7","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H28 Cl N O6 S -","- C19 H28 Cl N O6 S -","- C76 H112 Cl4 N4 O24 S4 -","4","2","","Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven","Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines.","Organic & biomolecular chemistry","2014","12","21","3393","3405","10.1039/c4ob00243a","","","0.71073","MoKα","","0.0725","0.0696","","","0.186","0.1875","","","","","","1.177","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153749","9.2379","0.0002","10.1214","0.0002","19.9426","0.0005","90","","90","","90","","1864.64","0.07","123","2","123","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 N O6 S -","- C15 H27 N O6 S -","- C60 H108 N4 O24 S4 -","4","1","","Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven","Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines.","Organic & biomolecular chemistry","2014","12","21","3393","3405","10.1039/c4ob00243a","","x-ray","0.71073","MoKα","","0.0301","0.0279","","","0.0622","0.0637","","","","","","1.057","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153750","9.4099","0.0009","9.4099","0.0009","31.116","0.003","90","","90","","120","","2386.1","0.4","123","2","123","2","","","","","","","","6","P 31","P 31","144","","","","- C12 H24 Cl N O4 S -","- C12 H24 Cl N O4 S -","- C72 H144 Cl6 N6 O24 S6 -","6","2","","Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven","Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines.","Organic & biomolecular chemistry","2014","12","21","3393","3405","10.1039/c4ob00243a","","","0.71073","MoKα","","0.0392","0.039","","","0.0981","0.0981","","","","","","1.244","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153751","12.308","0.007","13.358","0.007","18.357","0.01","76.993","0.007","87.634","0.008","86.828","0.007","2935","3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","MolGyro","","","- C60 H112 Si2 -","- C60 H112 Si2 -","- C120 H224 Si4 -","2","1","","Setaka, Wataru; Higa, Sayaka; Yamaguchi, Kentaro","Ring-closing metathesis for the synthesis of a molecular gyrotop.","Organic & biomolecular chemistry","2014","12","21","3354","3357","10.1039/c4ob00470a","","","0.71073","MoKα","","0.3208","0.0927","","","0.1639","0.2323","","","","","","0.802","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153752","14.53","0.003","18.768","0.003","21.753","0.004","95.313","0.002","90.751","0.003","92.942","0.002","5897.8","1.9","200","2","200","2","","","","","","","","3","P -1","-P 1","2","MolGyroIsomer","","","- C60 H112 Si2 -","- C60 H112 Si2 -","- C240 H448 Si8 -","4","2","","Setaka, Wataru; Higa, Sayaka; Yamaguchi, Kentaro","Ring-closing metathesis for the synthesis of a molecular gyrotop.","Organic & biomolecular chemistry","2014","12","21","3354","3357","10.1039/c4ob00470a","","","0.71073","MoKα","","0.237","0.0877","","","0.1959","0.2645","","","","","","0.957","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153755","8.954","0.0018","9.455","0.0019","17.176","0.003","90","","90","","90","","1454.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C72 H52 N4 O12 -","4","1","","Zhang, Yu; Lu, Yingyan; Tang, Weifang; Lu, Tao; Du, Ding","Cooperative N-heterocyclic carbene (NHC)-Lewis acid-mediated regioselective umpolung formal [3 + 2] annulations of alkynyl aldehydes with isatins.","Organic & biomolecular chemistry","2014","12","19","3009","3015","10.1039/c4ob00145a","","","0.71073","MoKα","","0.0713","0.0474","","","0.1126","0.1259","","","","","","1.009","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153756","10.9442","0.001","12.2254","0.0012","17.017","0.0017","83.291","0.008","72.695","0.009","73.531","0.009","2083.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N4 O12 Si2 -","- C38 H48 N4 O12 Si2 -","- C76 H96 N8 O24 Si4 -","2","1","","Ye, Xincui; Sun, Xianwei; Huang, Zhenggang; Yang, Na; Su, Zhishan; Hu, Changwei; Song, Zhenlei","Regioselective 1,4- over 1,2-addition of 3,3-bis(silyl) allyloxy lithium to enals, enones and enoates. The remarkable α-effect of silicon.","Organic & biomolecular chemistry","2014","12","19","3021","3025","10.1039/c4ob00139g","","","0.7107","MoKα","","0.1519","0.0709","","","0.1429","0.1871","","","","","","0.943","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153757","8.2957","0.0008","9.7941","0.001","27.385","0.003","81.1","0.008","84.633","0.008","87.844","0.008","2188","0.4","294.04","0.1","294.04","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H48 N4 O12 Si2 -","- C35 H48 N4 O12 Si2 -","- C70 H96 N8 O24 Si4 -","2","1","","Ye, Xincui; Sun, Xianwei; Huang, Zhenggang; Yang, Na; Su, Zhishan; Hu, Changwei; Song, Zhenlei","Regioselective 1,4- over 1,2-addition of 3,3-bis(silyl) allyloxy lithium to enals, enones and enoates. The remarkable α-effect of silicon.","Organic & biomolecular chemistry","2014","12","19","3021","3025","10.1039/c4ob00139g","","","0.7107","MoKα","","0.1169","0.0748","","","0.2098","0.2439","","","","","","1.013","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153771","8.4042","0.0008","9.8413","0.0009","10.3659","0.0009","76.975","0.003","72.998","0.003","77.774","0.003","788.93","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C40 H30 N2 O8 -","2","1","","Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna","Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates.","Organic & biomolecular chemistry","2014","12","21","3366","3370","10.1039/c4ob00437j","","","0.71073","MoKα","","0.0551","0.0437","","","0.1462","0.1573","","","","","","1.252","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153772","7.2807","0.0003","23.1644","0.0011","12.4215","0.0006","90","","98.89","0.0014","90","","2069.76","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O10 S -","- C19 H18 N2 O10 S -","- C76 H72 N8 O40 S4 -","4","1","","Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna","Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates.","Organic & biomolecular chemistry","2014","12","21","3366","3370","10.1039/c4ob00437j","","","0.71073","MoKα","","0.0804","0.068","","","0.2406","0.248","","","","","","1.999","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153773","8.447","0.006","9.631","0.006","22.349","0.013","90","","91.54","0.02","90","","1818","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O6 -","- C22 H16 N O6 -","- C88 H64 N4 O24 -","4","1","","Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna","Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates.","Organic & biomolecular chemistry","2014","12","21","3366","3370","10.1039/c4ob00437j","","","0.71073","MoKα","","0.0763","0.0478","","","0.1455","0.1634","","","","","","1.121","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153774","5.3381","0.0005","25.844","0.0019","11.069","0.001","90","","99.555","0.007","90","","1505.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 S4 -","- C14 H17 N3 S4 -","- C56 H68 N12 S16 -","4","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.1176","0.0579","","","0.1453","0.164","","","","","","1.011","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153775","6.3081","0.0014","8.1474","0.0016","22.67","0.005","94.79","0.03","96.73","0.02","92.57","0.02","1151.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 S4 Si2 -","- C18 H24 S4 Si2 -","- C36 H48 S8 Si4 -","2","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.1165","0.0555","","","0.0943","0.1139","","","","","","1.072","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153776","6.7025","0.0005","19.621","0.002","20.267","0.003","90","","90","","90","","2665.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N6 S4 -","- C26 H22 N6 S4 -","- C104 H88 N24 S16 -","4","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.0876","0.0482","","","0.0789","0.0923","","","","","","1.125","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153777","9.7854","0.0006","11.173","0.0007","11.332","0.0005","70.909","0.004","81.108","0.004","68.833","0.004","1090.88","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 B F4 N3 S4 -","- C18 H18 B F4 N3 S4 -","- C36 H36 B2 F8 N6 S8 -","2","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.0804","0.0657","","","0.2094","0.2255","","","","","","1.132","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153778","4.8956","0.0002","18.524","0.0006","12.7557","0.0004","90","","100.433","0.002","90","","1137.64","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br N2 -","- C13 H8 Br N2 -","- C52 H32 Br4 N8 -","4","1","","Qin, Wen-Bing; Zhu, Jia-Yi; Kong, Yu-Bo; Bao, Yun-Hong; Chen, Zheng-Wang; Liu, Liang-Xian","Metal-free (Boc)2O-mediated C4-selective direct indolation of pyridines using TEMPO.","Organic & biomolecular chemistry","2014","12","24","4252","4259","10.1039/c4ob00356j","","","0.71073","MoKα","","0.12","0.0464","","","0.1088","0.1351","","","","","","0.985","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153779","5.4783","0.0005","6.9229","0.0006","18.7771","0.0017","90","","95.059","0.003","90","","709.36","0.11","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(Diethylphosphino)-1-(4-trifluoromethylphenyl)-1H-1,2,3-triazole","","- C13 H15 F3 N3 P -","- C13 H15 F3 N3 P -","- C26 H30 F6 N6 P2 -","2","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0523","0.0427","","","0.0979","0.1029","","","","","","1.111","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153780","10.0928","0.0003","10.6178","0.0003","17.3125","0.0005","90","","98.415","0.002","90","","1835.29","0.09","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-4-(diphenylphosphino)-1H-1,2,3-triazole","","- C21 H18 N3 P -","- C21 H18 N3 P -","- C84 H72 N12 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0531","0.0375","","","0.0942","0.105","","","","","","1.039","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153781","5.7216","0.0002","12.5095","0.0005","12.5281","0.0005","86.643","0.002","79.834","0.002","82.749","0.002","874.95","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Bromophenyl)-4-(diphenylphosphino)-1H-1,2,3-triazole","","- C20 H15 Br N3 P -","- C20 H15 Br N3 P -","- C40 H30 Br2 N6 P2 -","2","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0368","0.0271","","","0.0597","0.063","","","","","","1.033","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153782","15.819","0.0003","7.2629","0.0001","13.1199","0.0002","90","","94.554","0.001","90","","1502.61","0.04","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Anisyl)-4-(diethylphosphino-borane)-1H-1,2,3-triazole","","- C13 H21 B N3 O P -","- C13 H21 B N3 O P -","- C52 H84 B4 N12 O4 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0626","0.0434","","","0.1236","0.1454","","","","","","1.047","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153783","7.6993","0.0002","10.2355","0.0003","11.5727","0.0005","105.331","0.002","104.973","0.002","107.292","0.002","781.55","0.05","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","1-(4-Bromophenyl)-4-(diethylphosphino-borane)-1H-1,2,3-triazole","","- C12 H18 B Br N3 P -","- C12 H18 B Br N3 P -","- C24 H36 B2 Br2 N6 P2 -","2","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0616","0.0429","","","0.1126","0.1234","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153784","11.4175","0.0003","15.1163","0.0004","23.4211","0.0007","90","","98.935","0.002","90","","3993.2","0.19","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 B Br N3 P -","- C20 H18 B Br N3 P -","- C160 H144 B8 Br8 N24 P8 -","8","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0584","0.0385","","","0.0936","0.1037","","","","","","1.023","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153785","11.0128","0.0002","7.8943","0.0002","24.9976","0.0005","90","","90","","90","","2173.25","0.08","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(Diethylphosphino-borane)-1-([2.2]-paracyclophan-4-yl)-1H-1,2,3-triazole","","- C22 H29 B N3 P -","- C22 H29 B N3 P -","- C88 H116 B4 N12 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0509","0.0431","","","0.1136","0.1195","","","","","","1.058","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153786","9.85","0.0002","11.141","0.0002","14.4209","0.0003","90","","90","","90","","1582.53","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-1-Benzyl-4-(methyl-tert-butylphosphino-borane)-1H-1,2,3-triazole","","- C14 H23 B N3 P -","- C14 H23 B N3 P -","- C56 H92 B4 N12 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0396","0.0338","","","0.0799","0.0832","","","","","","1.076","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153787","10.2656","0.0005","20.674","0.001","9.0479","0.0004","90","","100.041","0.002","90","","1890.83","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorobis[1-benzyl-4-(di-tert-butylphosphino)-1H-1,2,3-triazole]palladium(II)","","- C34 H52 Cl2 N6 P2 Pd -","- C34 H52 Cl2 N6 P2 Pd -","- C68 H104 Cl4 N12 P4 Pd2 -","2","0.5","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0221","0.0196","","","0.0508","0.0531","","","","","","1.053","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153788","9.2345","0.0001","10.4403","0.0001","15.8938","0.0002","90","","90","","90","","1532.34","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 N4 O3 -","- C12 H22 N4 O3 -","- C48 H88 N16 O12 -","4","1","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0265","0.0261","","","0.0674","0.0677","","","","","","1.069","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153789","10.243","0.0002","10.7344","0.0002","17.94","0.0004","90","","97.2641","0.0019","90","","1956.72","0.07","150.06","0.15","150.06","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 N5 O4 -","- C16 H29 N5 O4 -","- C64 H116 N20 O16 -","4","1","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","0.7107","MoKα","","0.0587","0.0415","","","0.0888","0.0987","","","","","","1.017","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153790","11.2952","0.0007","12.9363","0.0009","18.6722","0.0012","108.58","0.003","96.72","0.003","104.173","0.003","2450.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H36 N6 O5 -","- C20 H36 N6 O5 -","- C80 H144 N24 O20 -","4","2","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0733","0.069","","","0.1838","0.1897","","","","","","1.097","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153791","13.6156","0.0004","10.7583","0.0003","15.9339","0.0005","90","","114.869","0.001","90","","2117.58","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 N6 O5 -","- C17 H30 N6 O5 -","- C68 H120 N24 O20 -","4","1","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0394","0.0376","","","0.0981","0.0995","","","","","","1.059","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153792","11.3347","0.0004","16.1397","0.0005","16.8748","0.0006","62.527","0.002","85.251","0.002","81.446","0.002","2708.1","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H39 N7 O7 -","- C21 H39 N7 O7 -","- C84 H156 N28 O28 -","4","2","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0533","0.0438","","","0.1158","0.1245","","","","","","1.046","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153793","21.6553","0.0009","21.6553","0.0009","9.8316","0.0006","90","","90","","120","","3992.9","0.3","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C22 H16 Cl N5 O2 -","- C22 H16 Cl N5 O2 -","- C132 H96 Cl6 N30 O12 -","6","1","","Huang, Xiao-Fei; Zhang, Ya-Fei; Qi, Zheng-Hang; Li, Nai-Kai; Geng, Zhi-Cong; Li, Kun; Wang, Xing-Wang","Organocatalytic enantioselective construction of multi-functionalized spiro oxindole dienes.","Organic & biomolecular chemistry","2014","12","25","4372","4385","10.1039/c4ob00545g","","","0.71073","MoKα","","0.0659","0.0527","","","0.1345","0.1417","","","","","","0.995","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153794","8.103","0.008","12.083","0.012","11.663","0.011","90","","101.473","0.008","90","","1119.1","1.9","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 F6 N5 P -","- C5 H10 F6 N5 P -","- C20 H40 F24 N20 P4 -","4","1","","Kitamura, Mitsuru; Kato, So; Yano, Masakazu; Tashiro, Norifumi; Shiratake, Yuichiro; Sando, Mitsuyoshi; Okauchi, Tatsuo","A reagent for safe and efficient diazo-transfer to primary amines: 2-azido-1,3-dimethylimidazolinium hexafluorophosphate.","Organic & biomolecular chemistry","2014","12","25","4397","4406","10.1039/c4ob00515e","","","0.71075","MoKα","","","0.1511","","","","0.4401","","","","","","3.752","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153795","12.9282","0.0005","13.3172","0.0006","6.654","0.0003","90","","102.29","0.001","90","","1119.35","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C56 H40 N8 O8 -","4","1","","Chen, Jianbin; Natte, Kishore; Spannenberg, Anke; Neumann, Helfried; Beller, Matthias; Wu, Xiao-Feng","Efficient palladium-catalyzed double carbonylation of o-dibromobenzenes: synthesis of thalidomide.","Organic & biomolecular chemistry","2014","12","30","5578","5581","10.1039/c4ob00796d","","","0.71073","MoKα","","0.0641","0.0432","","","0.1058","0.1185","","","","","","1.025","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153796","8.1246","0.0003","9.2109","0.0003","14.8139","0.0005","90","","90","","90","","1108.6","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 F N2 O2 -","- C11 H13 F N2 O2 -","- C44 H52 F4 N8 O8 -","4","1","","Ramachary, Dhevalapally B.; Shruthi, Kodambahalli S.","Asymmetric synthesis of tetrahydroquinolines through supramolecular organocatalysis.","Organic & biomolecular chemistry","2014","12","25","4300","4304","10.1039/c4ob00570h","","","1.54184","CuKα","","0.0497","0.0467","","","0.1298","0.134","","","","","","1.032","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153797","10.393","0.003","26.134","0.007","7.767","0.002","90","","109.958","0.013","90","","1982.9","0.9","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N4 O6 -","- C22 H18 N4 O6 -","- C88 H72 N16 O24 -","4","1","","Sharma, Sanyog; Hundal, Maninder Singh; Walia, Amandeep; Vanita, Vanita; Hundal, Geeta","Nanomolar fluorogenic detection of Al(iii) by a series of Schiff bases in an aqueous system and their application in cell imaging.","Organic & biomolecular chemistry","2014","12","25","4445","4453","10.1039/c4ob00329b","","","0.71073","MoKα","","0.1365","0.0542","","","0.1236","0.1667","","","","","","0.91","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153798","16.1494","0.0015","16.1494","0.0015","15.1345","0.0014","90","","90","","120","","3418.3","0.5","296","2","296","2","","","","","","","","6","P 65","P 65","170","","","","- C21 H24 F N O2 S -","- C21 H24 F N O2 S -","- C126 H144 F6 N6 O12 S6 -","6","1","","Wu, Lingmin; Xie, Chen; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Highly efficient and generalized asymmetric synthesis of quaternary stereogenic carbon-containing β-amino indanones/indanoles via Mannich-type additions between 1-indanones and N-tert-butanesulfinylketimines.","Organic & biomolecular chemistry","2014","12","26","4620","4627","10.1039/c4ob00489b","","","0.71073","MoKα","","0.0402","0.0357","","","0.0983","0.1016","","","","","","1.035","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153799","12.6638","0.0017","16.757","0.002","22.426","0.003","90","","91.22","0.003","90","","4757.9","1.1","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N5 -","- C27 H25 N5 -","- C216 H200 N40 -","8","2","","Wen, Li-Rong; Lan, Ming-Chao; Yuan, Wen-Kui; Li, Ming","DABCO-mediated isocyanide-based multicomponent reaction: synthesis of highly substituted cyclopentenes.","Organic & biomolecular chemistry","2014","12","26","4628","4632","10.1039/c4ob00012a","","","0.71073","MoKα","","0.0816","0.0655","","","0.1325","0.1413","","","","","","1.116","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153800","13.772","0.0012","27.468","0.002","13.3251","0.0013","90","","90","","90","","5040.7","0.8","298","2","298","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C28 H28 N3 O2 -","- C28 H28 N3 O2 -","- C224 H224 N24 O16 -","8","","","Wen, Li-Rong; Lan, Ming-Chao; Yuan, Wen-Kui; Li, Ming","DABCO-mediated isocyanide-based multicomponent reaction: synthesis of highly substituted cyclopentenes.","Organic & biomolecular chemistry","2014","12","26","4628","4632","10.1039/c4ob00012a","","","0.71073","MoKα","","0.1451","0.0729","","","0.1624","0.1812","","","","","","1.099","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153801","10.7869","0.0004","21.5015","0.0008","8.1152","0.0005","90","","110.098","0.001","90","","1767.58","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Saravanan, Thangavelu; Jana, Sushital; Chadha, Anju","Utilization of whole cell mediated deracemization in a chemoenzymatic synthesis of enantiomerically enriched polycyclic chromeno[4,3-b] pyrrolidines.","Organic & biomolecular chemistry","2014","12","26","4682","4690","10.1039/c4ob00615a","","","0.71073","MoKα","","0.0704","0.0463","","","0.1119","0.1318","","","","","","1.078","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153802","8.0279","0.0007","10.048","0.0008","11.5774","0.0009","111.22","0.003","99.322","0.003","101.074","0.003","826.55","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C42 H38 N2 O6 -","2","1","","Saravanan, Thangavelu; Jana, Sushital; Chadha, Anju","Utilization of whole cell mediated deracemization in a chemoenzymatic synthesis of enantiomerically enriched polycyclic chromeno[4,3-b] pyrrolidines.","Organic & biomolecular chemistry","2014","12","26","4682","4690","10.1039/c4ob00615a","","","0.71073","MoKα","","0.0586","0.0376","","","0.0903","0.1072","","","","","","1.071","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153804","16.9504","0.0014","11.2305","0.001","9.1731","0.0009","90","","103.305","0.01","90","","1699.3","0.3","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","King, Frank D.; Aliev, Abil; Caddick, Stephen; Tocher, Derek","Cyclisation reactions of N-cinnamoyl-9-aminoanthracenes.","Organic & biomolecular chemistry","2014","12","20","3211","3221","10.1039/c4ob00411f","","","1.54184","CuKα","","0.0603","0.0582","","","0.1438","0.1464","","","","","","1.029","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153805","8.9866","0.0003","9.162","0.0003","13.9462","0.0005","93.732","0.003","95.624","0.003","115.839","0.004","1021.01","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C28.5 H21 N O -","- C28.5 H21 N O -","- C57 H42 N2 O2 -","2","1","","King, Frank D.; Aliev, Abil; Caddick, Stephen; Tocher, Derek","Cyclisation reactions of N-cinnamoyl-9-aminoanthracenes.","Organic & biomolecular chemistry","2014","12","20","3211","3221","10.1039/c4ob00411f","","","1.54184","CuKα","","0.0628","0.0585","","","0.1585","0.1632","","","","","","1.058","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153806","4.896","","11.351","","21.44","","90","","90","","90","","1191.52","","97","2","97","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.0407","0.035","","","0.0749","0.0778","","","","","","1.054","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153807","21.18","0.003","3.9011","0.0006","16.838","0.002","90","","94.004","0.009","90","","1387.8","0.3","97","2","97","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.0955","0.0529","","","0.1185","0.139","","","","","","0.973","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153808","14.514","0.003","8.703","0.0019","21.592","0.005","90","","109.575","0.008","90","","2569.8","1","97","2","97","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C128 H80 Cl8 N8 O16 -","8","2","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.1221","0.0743","","","0.1808","0.2146","","","","","","1.033","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153809","5.3737","0.0008","10.8985","0.0017","11.5417","0.0018","98.268","0.005","99.008","0.005","100.544","0.005","645.9","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C32 H20 Cl2 N2 O4 -","2","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.0602","0.0551","","","0.1913","0.1984","","","","","","1.056","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153810","11.728","0.004","16.825","0.005","7.205","0.003","90","","104.87","0.02","90","","1374.1","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C64 H44 Cl4 N8 O8 -","4","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.1581","0.0822","","","0.1796","0.2125","","","","","","0.973","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153811","10.318","0.0011","12.8037","0.0014","10.6038","0.0011","90","","112.706","0.001","90","","1292.3","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping","Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement.","Organic & biomolecular chemistry","2014","12","20","3191","3200","10.1039/c4ob00126e","","","0.71073","MoKα","","0.0553","0.0405","","","0.1058","0.1153","","","","","","1.02","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153812","7.7674","0.0011","9.4798","0.0013","9.7608","0.0014","103.452","0.002","95.382","0.002","93.343","0.002","693.53","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C32 H32 Br2 N2 O4 -","2","1","","Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping","Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement.","Organic & biomolecular chemistry","2014","12","20","3191","3200","10.1039/c4ob00126e","","","0.71073","MoKα","","0.0755","0.0428","","","0.0837","0.0956","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153813","9.1314","0.0013","12.4725","0.0018","12.8711","0.0018","90","","90","","90","","1465.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping","Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement.","Organic & biomolecular chemistry","2014","12","20","3191","3200","10.1039/c4ob00126e","","","0.71073","MoKα","","0.0948","0.0462","","","0.0796","0.0969","","","","","","0.975","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153814","4.933","0.0002","15.0363","0.0007","18.3873","0.0009","90","","91.938","0.005","90","","1363.08","0.11","100","1","100","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0582","0.0445","","","0.1016","0.109","","","","","","1.072","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153815","4.9093","0.0005","14.694","0.002","19.032","0.002","90","","90","","90","","1372.9","0.3","290","1","290","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.1205","0.0669","","","0.1516","0.1926","","","","","","0.863","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153816","27.7895","0.0008","27.7895","0.0008","8.9482","0.0003","90","","90","","120","","5984.5","0.3","120","1","120","1","","","","","","","see text","4","R -3 :H","-R 3","148","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C306 H252 N36 O18 -","18","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0679","0.0509","","","0.1518","0.1644","","","","","","1.083","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153817","5.4152","0.0004","15.1404","0.0014","15.678","0.0011","90","","90","","90","","1285.41","0.18","120","1","120","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.1538","0.0709","","","0.1005","0.1304","","","","","","0.915","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153818","4.0054","0.0004","15.3131","0.0018","9.7743","0.0008","90","","95.953","0.01","90","","596.27","0.1","290","1","290","1","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C32 H24 N4 O2 -","2","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0965","0.0589","","","0.1151","0.1391","","","","","","0.998","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153819","4.9825","0.0003","14.7961","0.0009","15.1704","0.0008","90","","92.397","0.005","90","","1117.41","0.11","290","1","290","1","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C60 H40 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0793","0.0661","","","0.1844","0.2007","","","","","","1.073","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153820","19.347","0.003","10.2965","0.0008","12.7704","0.0019","90","","105.329","0.015","90","","2453.4","0.6","200","","200","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","4-(Benzyloxy)-8-(methyl)-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]- 7,8-dihydrofuro[2,3-e]indol","","- C30 H28 N2 O6 -","- C30 H28 N2 O6 -","- C120 H112 N8 O24 -","4","1","","El-Deeb, Ibrahim M; Rose, Faith J.; Healy, Peter C.; von Itzstein, Mark","A versatile synthesis of ""tafuramycin A"": a potent anticancer and parasite attenuating agent.","Organic & biomolecular chemistry","2014","12","24","4260","4264","10.1039/c4ob00842a","","x-ray","0.7107","MoKα","","0.287","0.0922","","","0.1759","0.2699","","","","","","0.957","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153821","8.3045","0.0003","10.2673","0.0004","12.5079","0.0005","86.717","0.001","86.377","0.001","82.051","0.001","1052.85","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 I O4 S -","- C22 H19 I O4 S -","- C44 H38 I2 O8 S2 -","2","1","","Hamnett, David J.; Moran, Wesley J.","Improving alkynyl(aryl)iodonium salts: 2-anisyl as a superior aryl group.","Organic & biomolecular chemistry","2014","12","24","4156","4162","10.1039/c4ob00556b","","","0.71073","","","0.0235","0.0203","","","0.0486","0.0507","","","","","","1.087","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153822","21.6473","0.0008","7.6201","0.0003","13.154","0.0004","90","","123.262","0.004","90","","1814.34","0.14","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H22 Cl Li N2 O3 -","- C18 H22 Cl Li N2 O3 -","- C72 H88 Cl4 Li4 N8 O12 -","4","1","","Ziach, K.; Kulesza, A.; Jurczak, J.","Fast imine equilibration and its consequences for the evaluation of dynamic combinatorial libraries.","Organic & biomolecular chemistry","2014","12","23","3827","3830","10.1039/c4ob00507d","","","0.71073","MoKα","","0.0299","0.0233","","","0.0466","0.0474","","","","","","0.933","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153823","10.5637","0.0003","13.2734","0.0003","20.6274","0.0005","90","","90","","90","","2892.3","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H54 O5 -","- C30 H54 O5 -","- C120 H216 O20 -","4","1","","Yu, Jin-Hai; Shen, Yu; Liu, Hong-Bing; Leng, Ying; Zhang, Hua; Yue, Jian-Min","Dammarane-type triterpenoids as 11β-HSD1 inhibitors from Homonoia riparia.","Organic & biomolecular chemistry","2014","12","26","4716","4722","10.1039/c4ob00807c","","","1.54178","CuKα","","0.0674","0.0606","","","0.1672","0.1746","","","","","","1.037","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153827","20.3874","0.0008","6.9055","0.0003","12.3088","0.0005","90","","90","","90","","1732.9","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H20 I N O -","- C19 H20 I N O -","- C76 H80 I4 N4 O4 -","4","0.5","","Han, Qingxin; Shi, Zhaohua; Tang, Xiaoliang; Yang, Lizi; Mou, Zuolin; Li, Jing; Shi, Jinmin; Chen, Chunyang; Liu, Wei; Yang, Huan; Liu, Weisheng","A colorimetric and ratiometric fluorescent probe for distinguishing cysteine from biothiols in water and living cells.","Organic & biomolecular chemistry","2014","12","27","5023","5030","10.1039/c4ob00463a","","","0.71073","MoKα","","0.0348","0.0311","","","0.1247","0.1328","","","","","","1.013","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153828","8.6589","0.0007","10.1791","0.0006","15.9766","0.0012","90","","90","","90","","1408.17","0.18","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Zhu, Xu; Chiba, Shunsuke","TEMPO-mediated allylic C-H amination with hydrazones.","Organic & biomolecular chemistry","2014","12","26","4567","4570","10.1039/c4ob00839a","","","0.71073","MoKα","","0.0458","0.0401","","","0.0991","0.1029","","","","","","1.044","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153829","8.7331","0.0006","14.7237","0.0011","11.9048","0.0009","90","","92.545","0.003","90","","1529.25","0.19","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 -","- C19 H20 N2 -","- C76 H80 N8 -","4","1","","Zhu, Xu; Chiba, Shunsuke","TEMPO-mediated allylic C-H amination with hydrazones.","Organic & biomolecular chemistry","2014","12","26","4567","4570","10.1039/c4ob00839a","","","0.71073","MoKα","","0.0719","0.0453","","","0.1213","0.1448","","","","","","1.068","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153830","20.666","0.0016","9.5448","0.0006","20.3329","0.0018","90","","117.451","0.005","90","","3559.1","0.5","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C184 H160 N16 -","8","2","","Zhu, Xu; Chiba, Shunsuke","TEMPO-mediated allylic C-H amination with hydrazones.","Organic & biomolecular chemistry","2014","12","26","4567","4570","10.1039/c4ob00839a","","","0.71073","","","0.0946","0.0517","","","0.1089","0.1293","","","","","","0.998","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153831","9.401","0.004","9.421","0.004","10.588","0.005","108.301","0.01","93.15","0.009","94.391","0.01","884.6","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H32 O -","- C20 H32 O -","- C40 H64 O2 -","2","1","","Wang, Xian-Lei; Lu, Yun-Yu; Wang, Jie; Wang, Xuan; Yao, He-Quan; Lin, Guo-Qiang; Sun, Bing-Feng","A novel synthetic approach to the bicyclo[5.3.1]undecan-11-one framework of vinigrol.","Organic & biomolecular chemistry","2014","12","22","3562","3566","10.1039/c4ob00046c","","","0.71073","MoKα","","0.1161","0.0859","","","0.2026","0.2205","","","","","","1.091","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153832","10.6542","0.0002","20.3405","0.0004","16.8979","0.0004","90","","97.027","0.002","90","","3634.47","0.13","120","","120","","","","101","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H39 Cl Hg O4 S4 -","- C36 H39 Cl Hg O4 S4 -","- C144 H156 Cl4 Hg4 O16 S16 -","4","2","","Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P","Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations.","Organic & biomolecular chemistry","2014","12","28","5136","5143","10.1039/c4ob00799a","","","1.54184","CuKα","","0.0607","0.0509","","0.1324","0.1192","0.1324","","","","","","0.9277","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153833","39.4696","0.0005","39.4696","0.0005","21.8104","0.0004","90","","90","","90","","33977.3","0.9","120","","120","","","","101","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H39 Cl Hg O4 S4 -","- C36 H39 Cl Hg O4 S4 -","- C1152 H1248 Cl32 Hg32 O128 S128 -","32","2","","Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P","Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations.","Organic & biomolecular chemistry","2014","12","28","5136","5143","10.1039/c4ob00799a","","","1.54184","CuKα","","0.0947","0.0786","","0.2476","0.2225","0.2475","","","","","","0.996","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153834","18.1361","0.0009","11.0596","0.0005","20.1127","0.0009","90","","115.888","0.006","90","","3629.3","0.3","180","","180","","","","101","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C36 H39 Cl Hg O4 S4 -","- C36 H39 Cl Hg O4 S4 -","- C144 H156 Cl4 Hg4 O16 S16 -","4","1","","Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P","Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations.","Organic & biomolecular chemistry","2014","12","28","5136","5143","10.1039/c4ob00799a","","","1.5418","CuKα","","0.12","0.1076","","0.3006","0.2934","0.3006","","","","","","0.989","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153835","23.832","0.002","11.4009","0.001","7.7827","0.0007","90","","95.137","0.002","90","","2106.1","0.3","200","2","200","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","1","","Xia, Likai; Cai, Hongyun; Lee, Yong Rok","Catalyst-controlled regio- and stereoselective synthesis of diverse 12H-6,12-methanodibenzo[d,g][1,3]dioxocines.","Organic & biomolecular chemistry","2014","12","25","4386","4396","10.1039/c4ob00691g","","","0.71073","MoKα","","0.098","0.0568","","","0.1256","0.1677","","","","","","0.993","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153836","16.2287","0.0009","6.0601","0.0004","18.4712","0.001","90","","91.608","0.001","90","","1815.88","0.18","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 O5 -","- C23 H18 O5 -","- C92 H72 O20 -","4","1","","Xia, Likai; Cai, Hongyun; Lee, Yong Rok","Catalyst-controlled regio- and stereoselective synthesis of diverse 12H-6,12-methanodibenzo[d,g][1,3]dioxocines.","Organic & biomolecular chemistry","2014","12","25","4386","4396","10.1039/c4ob00691g","","","0.71073","MoKα","","0.1133","0.0518","","","0.1109","0.1623","","","","","","1.01","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153837","5.5701","0.0004","9.012","0.0006","33.683","0.002","90","","90","","90","","1690.81","0.19","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Su, Cunxiang; Xie, Ying; Pan, Hongjie; Liu, Mao; Tian, Hua; Shi, Yian","Organocatalytic synthesis of optically active β-branched α-amino esters via asymmetric biomimetic transamination.","Organic & biomolecular chemistry","2014","12","31","5856","5860","10.1039/c4ob00684d","","","0.71073","MoKα","","0.0671","0.0531","","","0.1152","0.1257","","","","","","1.116","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153838","15.9577","0.0007","6.3713","0.0003","17.8868","0.0008","90","","97.0337","0.0015","90","","1804.89","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C84 H84 N4 O8 S4 -","4","1","","Brockmeyer, Fabian; Schoemaker, Robin; Schmidtmann, Marc; Martens, Jürgen","Multicomponent reaction for the first synthesis of 2,2-dialkyl- and 2-alkyl-2-aralkyl-5,6-diaryl-2H-1,3-thiazines as scaffolds for various 3,4-dihydro-2H-1,3-thiazine derivatives.","Organic & biomolecular chemistry","2014","12","28","5168","5181","10.1039/c4ob00866a","","","0.71073","MoKα","","0.0394","0.0325","","","0.1245","0.1351","","","","","","1.124","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153839","9.8941","0.0017","19.167","0.003","14.2","0.002","90","","102.8","0.003","90","","2626","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 N2 O2 S -","- C33 H26 N2 O2 S -","- C132 H104 N8 O8 S4 -","4","1","","Zhu, Yu; Hong, Jun-Jie; Zhou, Yun-Bin; Xiao, Yu-Wei; Lin, Min; Zhan, Zhuang-Ping","Selective synthesis of 4-(sulfonyl)-methyl-1H-pyrazoles and (E)-4,5-dihydro-1H-pyrazoles from N-allenic sulfonylhydrazones.","Organic & biomolecular chemistry","2014","12","23","3797","3801","10.1039/c4ob00550c","","","0.71073","MoKα","","0.0679","0.0606","","","0.1466","0.1512","","","","","","1.142","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153840","6.4719","0.0005","8.7411","0.0006","10.9321","0.0008","110.196","0.004","95.635","0.004","101.286","0.004","559.89","0.07","193","2","193","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C24 H32 O8 -","2","1","","Ruiz, Jérémy; Mallet-Ladeira, Sonia; Maynadier, Marjorie; Vial, Henri; André-Barrès, Christiane","Design, synthesis and evaluation of new tricyclic endoperoxides as potential antiplasmodial agents.","Organic & biomolecular chemistry","2014","12","28","5212","5221","10.1039/c4ob00787e","","x-ray","0.71073","MoKα","","0.051","0.0379","","","0.0961","0.1055","","","","","","1.036","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153841","6.5048","0.0005","20.2812","0.0016","8.3695","0.0006","90","","99.728","0.004","90","","1088.27","0.14","193","2","193","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C48 H56 O16 -","4","1","","Ruiz, Jérémy; Mallet-Ladeira, Sonia; Maynadier, Marjorie; Vial, Henri; André-Barrès, Christiane","Design, synthesis and evaluation of new tricyclic endoperoxides as potential antiplasmodial agents.","Organic & biomolecular chemistry","2014","12","28","5212","5221","10.1039/c4ob00787e","","x-ray","0.71073","MoKα","","0.056","0.0372","","","0.0826","0.0908","","","","","","1.027","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153842","10.8379","0.0002","7.0007","0.0001","18.8456","0.0003","90","","92.548","0.001","90","","1428.46","0.04","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Lim, Zelong; Duggan, Peter J.; Meyer, Adam G.; Tuck, Kellie L.","An iterative in silico and modular synthetic approach to aqueous soluble tercyclic α-helix mimetics.","Organic & biomolecular chemistry","2014","12","25","4432","4444","10.1039/c4ob00647j","","","0.71073","MoKα","","0.0418","0.0369","","","0.0964","0.1","","","","","","1.042","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153843","12.9066","0.0005","7.1171","0.0002","15.1189","0.0006","90","","101.461","0.002","90","","1361.09","0.09","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","Lim, Zelong; Duggan, Peter J.; Meyer, Adam G.; Tuck, Kellie L.","An iterative in silico and modular synthetic approach to aqueous soluble tercyclic α-helix mimetics.","Organic & biomolecular chemistry","2014","12","25","4432","4444","10.1039/c4ob00647j","","","0.71073","MoKα","","0.0471","0.0386","","","0.1048","0.1118","","","","","","1.036","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153845","8.4371","0.0003","8.7423","0.0003","14.5956","0.0007","105.766","0.003","98.497","0.004","99.551","0.003","1000.39","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-(1-(5-oxo-1-phenyl-3-propyl-2-thioxoimidazolidin-4-yl)ethylidene)- hydrazinecarboxamide x ethanol","","- C17 H25 N5 O3 S -","- C17 H25 N5 O3 S -","- C34 H50 N10 O6 S2 -","2","1","","Attanasi, Orazio A.; Favi, Gianfranco; Giorgi, Gianluca; Majer, Roberta; Perrulli, Francesca Romana; Santeusanio, Stefania","Access to novel imidazo[1,5-a]pyrazine scaffolds by the combined use of a three-component reaction and a base-assisted intramolecular cyclization.","Organic & biomolecular chemistry","2014","12","26","4610","4619","10.1039/c4ob00676c","","","0.71073","MoKα","","0.0655","0.0429","","","0.1175","0.1247","","","","","","1.006","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153846","6.4597","0.0004","9.7895","0.0006","10.0741","0.0005","70.729","0.002","76.156","0.002","79.307","0.002","579.93","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P 1","P 1","1","","","","- C25 H25 Br O5 -","- C25 H25 Br O5 -","- C25 H25 Br O5 -","1","1","","Kamlar, M.; Hybelbauerová, S; Císařová, I; Veselý, J","Organocatalytic enantioselective allylic alkylation of MBH carbonates with β-keto esters.","Organic & biomolecular chemistry","2014","12","28","5071","5076","10.1039/c4ob00682h","","","0.71073","MoKα","","0.0285","0.0252","","","0.0506","0.0517","","","","","","1.045","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153847","9.6739","0.0003","8.7077","0.0003","12.2435","0.0004","90","","99.661","0.001","90","","1016.73","0.06","150","2","150","2","","","","","","","synthesized by the authors","3","P 1 21 1","P 2yb","4","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C48 H52 O8 -","2","1","","Kamlar, M.; Hybelbauerová, S; Císařová, I; Veselý, J","Organocatalytic enantioselective allylic alkylation of MBH carbonates with β-keto esters.","Organic & biomolecular chemistry","2014","12","28","5071","5076","10.1039/c4ob00682h","","","0.71073","MoKα","","0.0408","0.0366","","","0.0919","0.0943","","","","","","1.054","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153848","5.6964","0.0003","12.6163","0.0005","12.8565","0.0007","90","","90","","90","","923.96","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","","Pratap Reddy Gajulapalli, V.; Vinayagam, Poopathy; Kesavan, Venkitasamy","Organocatalytic asymmetric decarboxylative cyanomethylation of isatins using l-proline derived bifunctional thiourea.","Organic & biomolecular chemistry","2014","12","24","4186","4191","10.1039/c4ob00271g","","","0.71073","MoKα","","0.0337","0.031","","","0.0847","0.0863","","","","","","1.081","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153849","21.6481","0.0007","18.688","0.0006","24.7513","0.0008","90","","111.211","0.0014","90","","9335","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[2]pseudorotaxane Ph2IMPh-COOMe BF4","","","- C49 H54 B F4 N3 O10 -","- C49 H54 B F4 N3 O10 -","- C392 H432 B8 F32 N24 O80 -","8","2","","Farahani, Nasim; Zhu, Kelong; Noujeim, Nadim; Loeb, Stephen J.","[2]Pseudorotaxane formation between rigid Y-shaped 2,4,5-triphenylimidazolium axles and [24]crown-8 ether wheels.","Organic & biomolecular chemistry","2014","12","27","4824","4827","10.1039/c4ob00975d","","","1.54178","","","0.0692","0.0577","","","0.1439","0.1557","","","","","","1.01","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153850","18.6832","0.0015","9.6574","0.0008","22.636","0.003","90","","108.894","0.003","90","","3864.2","0.7","199","2","199","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 O7 -","- C23 H18 O7 -","- C184 H144 O56 -","8","1","","Mehrparvar, Saber; Balalaie, Saeed; Rabbanizadeh, Mahnaz; Rominger, Frank; Ghabraie, Elmira","Synthesis of functionalized chromones through sequential reactions in aqueous media.","Organic & biomolecular chemistry","2014","12","30","5757","5765","10.1039/c4ob00618f","","","0.71073","MoKα","","0.0714","0.0611","","","0.1502","0.1583","","","","","","1.054","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153851","7.0639","0.0016","12.459","0.003","14.36","0.003","90","","99.692","0.002","90","","1245.8","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3aE0","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Yamamoto, Hiroaki; Ohkubo, Kei; Akimoto, Seiji; Fukuzumi, Shunichi; Tsuda, Akihiko","Control of reaction pathways in the photochemical reaction of a quinone with tetramethylethylene by metal binding.","Organic & biomolecular chemistry","2014","12","36","7004","7017","10.1039/c4ob00659c","","","0.71073","MoKα","","0.0564","0.0455","","","0.1584","0.172","","","","","","1.227","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153852","9.4849","0.0008","18.4276","0.0016","19.2588","0.0017","90","","92.1781","0.0015","90","","3363.7","0.5","110","2","110","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C34 H28 F12 N2 O2 S2 -","- C34 H28 F12 N2 O2 S2 -","- C136 H112 F48 N8 O8 S8 -","4","1","","Van Rossom, Wim; Terentyeva, Tatyana G.; Sodeyama, Keitaro; Matsushita, Yoshitaka; Tateyama, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P.","Arylpyrrole oligomers as tunable anion receptors.","Organic & biomolecular chemistry","2014","12","29","5492","5499","10.1039/c4ob00357h","","","0.71073","MoKα","","0.0571","0.0435","","","0.1083","0.1182","","","","","","1.088","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153853","17.1963","0.0019","22.354","0.003","24.519","0.003","90","","97.389","0.002","90","","9347","2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H55 F12 N3 O2 -","- C48 H55 F12 N3 O2 -","- C384 H440 F96 N24 O16 -","8","2","","Van Rossom, Wim; Terentyeva, Tatyana G.; Sodeyama, Keitaro; Matsushita, Yoshitaka; Tateyama, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P.","Arylpyrrole oligomers as tunable anion receptors.","Organic & biomolecular chemistry","2014","12","29","5492","5499","10.1039/c4ob00357h","","","0.710747","MoKα","","0.2555","0.1229","","","0.2082","0.2581","","","","","","1.07","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153854","11.6001","0.0009","11.9543","0.0008","38.07","0.002","92.117","0.005","95.202","0.006","109.608","0.007","4939.8","0.6","100","","100","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C116 H130 Br N7 O11 -","- C116 H130 Br N7 O11 -","- C232 H260 Br2 N14 O22 -","2","1","","White, Nicholas G.; Colaço, Ana R; Marques, Igor; Félix, Vítor; Beer, Paul D.","Halide selective anion recognition by an amide-triazolium axle containing [2]rotaxane.","Organic & biomolecular chemistry","2014","12","27","4924","4931","10.1039/c4ob00801d","","","0.6889","synchrotron","","0.1692","0.1407","","0.3363","0.3239","0.3363","","","","","","1.0893","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153855","8.573","0.006","11.482","0.007","12.279","0.009","98.521","0.011","109.56","0.011","92.004","0.007","1121.7","1.3","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C44 H46 N6 O10 -","2","1","","Pandey, Shashi; Kumar, S. Vinod; Kant, Ruchir; Chauhan, Prem M. S.","Base mediated 7-exo-dig intramolecular cyclization of Ugi-propargyl precursors: a highly efficient and regioselective synthetic approach toward diverse 1,4-benzoxazepine-5(2H)-ones.","Organic & biomolecular chemistry","2014","12","29","5346","5350","10.1039/c4ob00793j","","","0.71075","MoKα","","0.0894","0.0524","","","0.139","0.1648","","","","","","1.008","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153856","14.28","0.004","21.368","0.005","15.182","0.004","90","","98.213","0.004","90","","4585","2","293","2","293","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O3 -","- C26 H26 N2 O3 -","- C208 H208 N16 O24 -","8","2","","Pandey, Shashi; Kumar, S. Vinod; Kant, Ruchir; Chauhan, Prem M. S.","Base mediated 7-exo-dig intramolecular cyclization of Ugi-propargyl precursors: a highly efficient and regioselective synthetic approach toward diverse 1,4-benzoxazepine-5(2H)-ones.","Organic & biomolecular chemistry","2014","12","29","5346","5350","10.1039/c4ob00793j","","","0.71075","MoKα","","0.082","0.0629","","","0.146","0.1587","","","","","","1.101","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153857","8.534","0.002","15.242","0.004","16.014","0.004","90","","90","","90","","2083","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","methyl 5-(tert-butylamino)-2-(4-nitrophenyl)-4-(thiophene-2-carbonyl) furan-3-carboxylate","","- C21 H20 N2 O6 S -","- C21 H20 N2 O6 S -","- C84 H80 N8 O24 S4 -","4","1","","Huynh, Thi Ngoc Tram; Retailleau, Pascal; Denhez, Clément; Nguyen, Kim Phi Phung; Guillaume, Dom","Regioselective synthesis of 3,4,5-trisubstituted 2-aminofurans.","Organic & biomolecular chemistry","2014","12","28","5098","5101","10.1039/c4ob01037j","","","0.7107","MoKα","","0.0463","0.0347","","","0.08","0.0871","","","","","","1.047","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153858","10.104","0.002","10.104","0.002","17.905","0.004","90","","90","","120","","1583","0.6","293","2","293","2","","","","","","","","5","P 31","P 31","144","","methyl 2-(tert-butylamino)-5-(4-nitrophenyl)-4- (thiophene-2-carbonyl)furan-3-carboxylate","","- C21 H20 N2 O6 S -","- C21 H20 N2 O6 S -","- C63 H60 N6 O18 S3 -","3","1","","Huynh, Thi Ngoc Tram; Retailleau, Pascal; Denhez, Clément; Nguyen, Kim Phi Phung; Guillaume, Dom","Regioselective synthesis of 3,4,5-trisubstituted 2-aminofurans.","Organic & biomolecular chemistry","2014","12","28","5098","5101","10.1039/c4ob01037j","","","0.7107","MoKα","","0.0522","0.0438","","","0.107","0.1136","","","","","","1.005","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153859","13.476","0.005","6.865","0.003","17.826","0.007","90","","104.273","0.007","90","","1598.2","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl N2 O2 -","- C16 H15 Cl N2 O2 -","- C64 H60 Cl4 N8 O8 -","4","1","","Xin, Xiaoqing; Liu, Xu; Zhang, Dingyuan; Zhang, Rui; Liang, Yongjiu; Han, Fushe; Dong, Dewen","Divergent synthesis of 2,3-dihydro-1H-pyrroles, 3-alkyl-1H-pyrroles and 3-alkenyl-1H-pyrroles from 2,4-pentadienenitriles and isocyanides.","Organic & biomolecular chemistry","2014","12","29","5477","5483","10.1039/c4ob00912f","","","0.71073","MoKα","","0.1645","0.0834","","","0.1934","0.2409","","","","","","1.028","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153860","8.8199","0.0008","12.7684","0.0012","13.8563","0.0013","90","","91.733","0.002","90","","1559.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Xin, Xiaoqing; Liu, Xu; Zhang, Dingyuan; Zhang, Rui; Liang, Yongjiu; Han, Fushe; Dong, Dewen","Divergent synthesis of 2,3-dihydro-1H-pyrroles, 3-alkyl-1H-pyrroles and 3-alkenyl-1H-pyrroles from 2,4-pentadienenitriles and isocyanides.","Organic & biomolecular chemistry","2014","12","29","5477","5483","10.1039/c4ob00912f","","","0.71073","MoKα","","0.0833","0.0545","","","0.1147","0.1276","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153861","9.259","0.005","13.478","0.005","15.399","0.005","90","0.005","90","0.005","90","0.005","1921.7","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20.25 H20.25 N2.25 O4.5 S0 -","- C22 H17 N O S2 -","- C88 H68 N4 O4 S8 -","4","1","","Srivastava, Abhijeet; Shukla, Gaurav; Nagaraju, Anugula; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Jones, Raymond C. F.; Singh, Maya Shankar","In(OTf)3-catalysed one-pot versatile pyrrole synthesis through domino annulation of α-oxoketene-N,S-acetals with nitroolefins.","Organic & biomolecular chemistry","2014","12","29","5484","5491","10.1039/c4ob00781f","","","0.71073","MoKα","","0.0764","0.0568","","","0.1476","0.1767","","","","","","0.586","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153862","30.216","0.002","5.9581","0.0004","26.7531","0.0016","90","","92.479","0.005","90","","4811.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 N O S -","- C31 H25 N O S -","- C248 H200 N8 O8 S8 -","8","1","","Srivastava, Abhijeet; Shukla, Gaurav; Nagaraju, Anugula; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Jones, Raymond C. F.; Singh, Maya Shankar","In(OTf)3-catalysed one-pot versatile pyrrole synthesis through domino annulation of α-oxoketene-N,S-acetals with nitroolefins.","Organic & biomolecular chemistry","2014","12","29","5484","5491","10.1039/c4ob00781f","","","0.71073","MoKα","","0.0829","0.05","","","0.102","0.1199","","","","","","1.032","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153863","6.7699","0.0004","8.2068","0.0005","15.1001","0.0009","90","","90","","90","","838.95","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2,2-dihydroxy-2-(5-oxotetrahydrofuran-2-yl)acetate","","- C7 H10 O6 -","- C7 H10 O6 -","- C28 H40 O24 -","4","1","","Sudhakar, Gangarajula; Bayya, Shruthi; Kadam, Vilas D.; Nanubolu, Jagadeesh Babu","Total synthesis of gonytolides C and G, lachnone C, and formal synthesis of blennolide C and diversonol.","Organic & biomolecular chemistry","2014","12","30","5601","5610","10.1039/c4ob00950a","","","0.71073","MoKα","","0.0297","0.0295","","","0.083","0.0831","","","","","","1.201","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153864","8.403","0.006","15.083","0.01","11.686","0.008","90","","98.565","0.006","90","","1464.6","1.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 O6 -","- C19 H12 O6 -","- C76 H48 O24 -","4","1","","Li, Jing; Hou, Zheng; Chen, Guang-Hui; Li, Fen; Zhou, Ying; Xue, Xiao-Yan; Li, Zhou-Peng; Jia, Min; Zhang, Zi-Dan; Li, Ming-Kai; Luo, Xiao-Xing","Synthesis, antibacterial activities, and theoretical studies of dicoumarols.","Organic & biomolecular chemistry","2014","12","29","5528","5535","10.1039/c4ob00772g","","","0.71073","MoKα","","0.0506","0.0447","","","0.1224","0.127","","","","","","1.115","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153865","11.6403","0.0009","14.5767","0.0011","16.4463","0.0012","90","","90","","90","","2790.6","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Cl4 Cu2 N4 O4 -","- C20 H32 Cl4 Cu2 N4 O4 -","- C80 H128 Cl16 Cu8 N16 O16 -","4","0.5","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.0354","0.0264","","","0.0676","0.0722","","","","","","1.042","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153866","10.506","0.005","12.627","0.006","12.057","0.005","90","","115.714","0.005","90","","1441.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Br2 Cu N2 O2 -","- C10 H16 Br2 Cu N2 O2 -","- C40 H64 Br8 Cu4 N8 O8 -","4","1","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.1637","0.0581","","","0.1252","0.1699","","","","","","0.933","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153867","10.5479","0.0007","15.7383","0.0011","11.3501","0.0008","90","","99.802","0.001","90","","1856.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br2 Cu N3 O2 -","- C15 H19 Br2 Cu N3 O2 -","- C60 H76 Br8 Cu4 N12 O8 -","4","1","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.0446","0.0282","","","0.0639","0.0702","","","","","","1.028","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153868","14.4443","0.0015","6.1524","0.0006","14.5492","0.0015","90","","98.226","0.001","90","","1279.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","1","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.1085","0.0483","","","0.1086","0.1341","","","","","","0.998","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153869","10.892","0.002","7.9279","0.0018","19.835","0.004","90","","90","","90","","1712.8","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H6 F N O2 -","- C10 H6 F N O2 -","- C80 H48 F8 N8 O16 -","8","1","","Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo","Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives.","Organic & biomolecular chemistry","2014","12","28","5102","5107","10.1039/c4ob01052c","","","0.71073","MoKα","","0.068","0.0601","","","0.114","0.1175","","","","","","1.287","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153870","12.761","0.003","20.483","0.004","8.2482","0.0015","90","","98.692","0.003","90","","2131.2","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 F5 N O4 -","- C26 H14 F5 N O4 -","- C104 H56 F20 N4 O16 -","4","1","","Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo","Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives.","Organic & biomolecular chemistry","2014","12","28","5102","5107","10.1039/c4ob01052c","","","0.71073","MoKα","","0.06","0.0548","","","0.1284","0.1316","","","","","","1.158","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153871","9.309","0.002","9.593","0.002","12.074","0.003","76.314","0.01","76.794","0.01","79.813","0.01","1011.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 F2 N O4 -","- C26 H17 F2 N O4 -","- C52 H34 F4 N2 O8 -","2","1","","Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo","Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives.","Organic & biomolecular chemistry","2014","12","28","5102","5107","10.1039/c4ob01052c","","","0.71073","MoKα","","0.0597","0.0528","","","0.1158","0.1198","","","","","","1.133","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153872","18.3921","0.0007","18.3921","0.0007","23.2883","0.0017","90","","90","","120","","6822.3","0.6","296.24","0.11","296.24","0.11","","","","","","","","5","P 32","P 32","145","","","","- C17 H11 N3 O2 S -","- C17 H11 N3 O2 S -","- C306 H198 N54 O36 S18 -","18","6","","Zhu, Yi-Shuo; Shi, Benyi; Fang, Ran; Wang, Xiaoxuan; Jing, Huanwang","Palladium-catalyzed microwave-assisted direct arylation of imidazo[2,1-b]thiazoles with aryl bromides: synthesis and mechanistic study.","Organic & biomolecular chemistry","2014","12","30","5773","5780","10.1039/c4ob00600c","","","0.7107","MoKα","","0.1152","0.0619","","","0.1226","0.1433","","","","","","1.11","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153873","7.6554","0.0003","9.9905","0.0004","12.4133","0.0005","84.57","0.004","88.088","0.003","67.987","0.004","876.22","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N4 O6 S -","- C16 H20 N4 O6 S -","- C32 H40 N8 O12 S2 -","2","1","","Surya Prakash Rao, H.; Parthiban, A.","One-pot pseudo three-component reaction of nitroketene-N,S-acetals and aldehydes for synthesis of highly functionalized hexa-substituted 1,4-dihydropyridines.","Organic & biomolecular chemistry","2014","12","32","6223","6238","10.1039/c4ob00628c","","","0.71073","MoKα","","0.0636","0.0435","","","0.1295","0.1452","","","","","","0.997","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153874","11.976","0.0006","15.2085","0.0006","12.0589","0.0008","90","","106.923","0.006","90","","2101.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl0.25 N3 O5 -","- C20 H21 Cl N6 O4 -","- C80 H84 Cl4 N24 O16 -","4","1","","Surya Prakash Rao, H.; Parthiban, A.","One-pot pseudo three-component reaction of nitroketene-N,S-acetals and aldehydes for synthesis of highly functionalized hexa-substituted 1,4-dihydropyridines.","Organic & biomolecular chemistry","2014","12","32","6223","6238","10.1039/c4ob00628c","","","0.7107","MoKα","","0.1024","0.0509","","","0.0996","0.1166","","","","","","0.989","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153875","5.9134","0.0001","19.9075","0.0004","23.6392","0.0005","90","","90","","90","","2782.83","0.09","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β‒hydroxy‒16β‒(4‒phenyl‒1<i>H</i>‒1,2,3‒triazol‒1‒yl)‒ 17α‒hydroxy‒17β‒methyl‒D‒homoandrost‒5‒en‒17a‒one","","- C29 H37 N3 O3 -","- C29 H37 N3 O3 -","- C116 H148 N12 O12 -","4","1","","Kotovshchikov, Yury N.; Latyshev, Gennadij V.; Lukashev, Nikolay V.; Beletskaya, Irina P.","Synthesis of novel 1,2,3-triazolyl derivatives of pregnane, androstane and d-homoandrostane. Tandem ""click"" reaction/Cu-catalyzed d-homo rearrangement.","Organic & biomolecular chemistry","2014","12","22","3707","3720","10.1039/c4ob00404c","","","1.5418","CuKα","","0.0835","0.0465","","","0.1038","0.1158","","","","","","0.869","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153876","6.2213","0.0004","19.9582","0.0012","13.3944","0.0009","90","","93.326","0.007","90","","1660.33","0.18","180","0.1","180","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","1","","Hu, Fangdong; Xia, Ying; Liu, Zhenxing; Ma, Chen; Zhang, Yan; Wang, Jianbo","Palladium-catalyzed three-component reaction of N-tosylhydrazone, norbornene and aryl halide.","Organic & biomolecular chemistry","2014","12","22","3590","3593","10.1039/c4ob00590b","","","0.7107","MoKα","","0.0563","0.0441","","","0.1081","0.1161","","","","","","1.046","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153877","6.1765","0.0002","11.6169","0.0004","24.6124","0.0011","90","","96.136","0.004","90","","1755.87","0.11","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 -","- C25 H24 -","- C100 H96 -","4","1","","Hu, Fangdong; Xia, Ying; Liu, Zhenxing; Ma, Chen; Zhang, Yan; Wang, Jianbo","Palladium-catalyzed three-component reaction of N-tosylhydrazone, norbornene and aryl halide.","Organic & biomolecular chemistry","2014","12","22","3590","3593","10.1039/c4ob00590b","","","0.7107","MoKα","","0.0753","0.055","","","0.1161","0.1273","","","","","","1.068","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153878","19.1645","0.0014","5.9934","0.0005","29.725","0.003","90","","98.23","0.008","90","","3379.1","0.5","100.01","0.13","100.01","0.13","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C176 H176 O16 -","8","1","","Hu, Fangdong; Xia, Ying; Liu, Zhenxing; Ma, Chen; Zhang, Yan; Wang, Jianbo","Palladium-catalyzed three-component reaction of N-tosylhydrazone, norbornene and aryl halide.","Organic & biomolecular chemistry","2014","12","22","3590","3593","10.1039/c4ob00590b","","","0.7107","MoKα","","0.1203","0.0711","","","0.1416","0.1779","","","","","","1.055","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153879","7.2984","0.0019","10.981","0.003","10.041","0.003","90","","90.375","0.004","90","","804.7","0.4","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 -","- C16 H25 N O3 -","- C32 H50 N2 O6 -","2","1","","Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.","Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.","Organic & biomolecular chemistry","2014","12","22","3686","3700","10.1039/c4ob00448e","","","0.71073","MoKα","","0.0327","0.0314","","","0.0901","0.0916","","","","","","1.04","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153880","5.51","0.005","13.604","0.011","19.941","0.016","90","","90","","90","","1495","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.","Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.","Organic & biomolecular chemistry","2014","12","22","3686","3700","10.1039/c4ob00448e","","","0.71073","MoKα","","0.0483","0.0411","","","0.1004","0.105","","","","","","1.014","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153881","5.4633","0.0008","11.8774","0.0017","12.69","0.0018","90","","93.632","0.002","90","","821.8","0.2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C32 H50 N2 O10 -","2","1","","Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.","Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.","Organic & biomolecular chemistry","2014","12","22","3686","3700","10.1039/c4ob00448e","","","0.71073","MoKα","","0.0251","0.025","","","0.0709","0.0712","","","","","","1.052","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153882","11.7026","0.0004","9.9471","0.0003","28.8577","0.0012","90","","90","","90","","3359.2","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(1-Oxo-2,2,6,6-tetramethylpiperidin-4-yl)-pivalamide","","- C14 H27 N2 O2 -","- C14 H27 N2 O2 -","- C112 H216 N16 O16 -","8","1","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.7107","MoKα","","0.0693","0.0507","","","","0.1554","","","","","","1.0712","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153883","11.94158","0.00018","12.0243","0.0002","11.31901","0.00019","90","","90","","90","","1625.29","0.05","293","1","293","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","4-tert-Butoxycarbonylamino-2,2,6,6-tetramethylpiperidin-1-oxid","","- C14 H27 N2 O3 -","- C14 H27 N2 O3 -","- C56 H108 N8 O12 -","4","0.5","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.064","0.058","","","0.1661","0.1727","","","","","","1.076","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153884","11.9401","0.0007","11.3109","0.0007","10.5933","0.0005","90","","90","","90","","1430.66","0.14","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","3-(2,2,2-Trifluoroacetylamino)-2,2,5,5-tetramethylpyrrolidin-1-oxid","","- C11 H18 F3 N2 O2 -","- C11 H18 F3 N2 O2 -","- C44 H72 F12 N8 O8 -","4","0.5","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.0879","0.0664","","","0.1805","0.2075","","","","","","1.094","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153885","8.28928","0.00018","19.4108","0.0004","26.6839","0.0005","90","","90","","90","","4293.48","0.15","293","1","293","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Acetyl-N, N-bis-(1-oxo-2,2,6,6-tetramethylpiperidin-4-yl)-amine","","- C20 H37 N3 O3 -","- C20 H37 N3 O3 -","- C160 H296 N24 O24 -","8","1","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.0582","0.0498","","","0.1366","0.1435","","","","","","1.069","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153886","14.2418","0.0004","9.4098","0.0002","19.498","0.0006","90","","103.412","0.003","90","","2541.71","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2,2,2-Trifluoroacetyl)-N,N-bis- (1-oxo-2,2,6,6-tetramethylpiperidin-4-yl)-amine 1/2 ethanol hemihydrat","","- C21 H38 F3 N3 O4 -","- C21 H38 F3 N3 O4 -","- C84 H152 F12 N12 O16 -","4","1","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.0681","0.0573","","","0.169","0.1837","","","","","","1.03","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153887","8.8826","0.0008","9.7822","0.0008","20.8708","0.0018","90","","90","","90","","1813.5","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 3-(4-chlorophenyl)-2-cyano-2,3-dihydronaphtho[1,2-b]furan-2-carbimidate","","- C21 H15 Cl N2 O2 -","- C21 H15 Cl N2 O2 -","- C84 H60 Cl4 N8 O8 -","4","1","","Mandha, Santhosh Reddy; Alla, Manjula; Nanubolu, Jagadeesh Babu","""One-pot"" access to dihydrofurans via tandem oxidative difunctionalization and ring contraction of aminopyrans.","Organic & biomolecular chemistry","2014","12","25","4412","4420","10.1039/c4ob00324a","","","0.71073","MoKα","","0.0343","0.0324","","","0.0858","0.0876","","","","","","0.986","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153888","15.9828","0.0014","6.8208","0.0006","34.232","0.003","90","","90","","90","","3731.8","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 3-phenylnaphtho[1,2-b]furan-2,2(3H)-bis(carbimidate)","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C176 H160 N16 O24 -","8","1","","Mandha, Santhosh Reddy; Alla, Manjula; Nanubolu, Jagadeesh Babu","""One-pot"" access to dihydrofurans via tandem oxidative difunctionalization and ring contraction of aminopyrans.","Organic & biomolecular chemistry","2014","12","25","4412","4420","10.1039/c4ob00324a","","","0.71073","MoKα","","0.0419","0.0383","","","0.0986","0.1018","","","","","","1.049","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153889","9.3671","0.0006","9.5385","0.0007","17.0984","0.0012","90","","90","","90","","1527.71","0.18","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Roca-López, David; Marqués-López, Eugenia; Alcaine, Ana; Merino, Pedro; Herrera, Raquel P.","A Friedel-Crafts alkylation mechanism using an aminoindanol-derived thiourea catalyst.","Organic & biomolecular chemistry","2014","12","25","4503","4510","10.1039/c4ob00348a","","","1.54178","CuKα","","0.0575","0.0492","","","0.116","0.1197","","","","","","1.002","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153890","8.9888","0.00014","6.81739","0.00008","18.275","0.0002","90","","100.482","0.0014","90","","1101.21","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C56 H50 N2 O6 -","2","1","","Ouyang, Banlai; Yu, Tingting; Luo, Renshi; Lu, Gui","The asymmetric Cu(ii)-indolinylmethanol complex catalyzed Diels-Alder reaction of 2-vinylindoles with β,γ-unsaturated α-ketoesters: an efficient route to functionalized tetrahydrocarbazoles.","Organic & biomolecular chemistry","2014","12","24","4172","4176","10.1039/c4ob00196f","","","1.54184","CuKα","","0.0292","0.0273","","","0.0685","0.0703","","","","","","1.046","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153891","34.5934","0.0006","34.5934","0.0006","8.2566","0.0003","90","","90","","120","","8556.9","0.4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H42 N2 O6 Rh2 -","- C38 H42 N2 O6 Rh2 -","- C342 H378 N18 O54 Rh18 -","9","0.5","","Lam, Hon-Wah; Man, Ka-Yi; Chan, Wai-Wing; Zhou, Zhongyuan; Yu, Wing-Yiu","Rhodium(iii)-catalyzed formal oxidative [4 + 1] cycloaddition of benzohydroxamic acids and α-diazoesters. A facile synthesis of functionalized benzolactams.","Organic & biomolecular chemistry","2014","12","24","4112","4116","10.1039/c4ob00512k","","","0.71073","MoKα","","0.0885","0.0649","","","0.1959","0.2312","","","","","","1.004","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153892","5.8444","0.0012","19.476","0.004","10.909","0.002","90","","95.18","0.03","90","","1236.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 Cl2 N2 O2 -","- C9 H14 Cl2 N2 O2 -","- C36 H56 Cl8 N8 O8 -","4","1","","Zhao, Fei; Li, Yuexing; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Selective synthesis of (Z)-2-enynyl-2-hydroxy-imidazolidine-4,5-diones via Cu(i)-mediated multicomponent coupling of terminal alkynes, carbodiimides and oxalyl chloride.","Organic & biomolecular chemistry","2014","12","21","3336","3339","10.1039/c4ob00185k","","","0.71073","MoKα","","0.0692","0.0445","","","0.0943","0.1006","","","","","","0.993","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153893","10.058","0.002","25.771","0.005","14.912","0.003","90","","106.01","0.03","90","","3715.3","1.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H40 Cl6 N2 O3 -","- C35 H40 Cl6 N2 O3 -","- C140 H160 Cl24 N8 O12 -","4","1","","Zhao, Fei; Li, Yuexing; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Selective synthesis of (Z)-2-enynyl-2-hydroxy-imidazolidine-4,5-diones via Cu(i)-mediated multicomponent coupling of terminal alkynes, carbodiimides and oxalyl chloride.","Organic & biomolecular chemistry","2014","12","21","3336","3339","10.1039/c4ob00185k","","","0.71073","MoKα","","0.1898","0.0749","","","0.1394","0.1506","","","","","","0.992","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153894","7.7404","0.0015","8.6624","0.0017","13.34","0.003","81.46","0.03","89.7","0.03","70.47","0.03","832.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Liu, Bingjie; Zhang, Yueteng; Huang, Gang; Zhang, Xinting; Niu, Pengfei; Wu, Jie; Yu, Wenquan; Chang, Junbiao","A concise approach to polysubstituted oxazoles from N-acyl-2-bromo enamides via a copper(i)/amino acid-catalyzed intramolecular C-O bond formation.","Organic & biomolecular chemistry","2014","12","23","3912","3923","10.1039/c4ob00309h","","","0.71073","MoKα","","0.3106","0.2092","","","0.3973","0.463","","","","","","1.275","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7153895","6.508","0.001","25.907","0.003","9.134","0.0001","90","","99.33","0.01","90","","1519.6","0.3","198","2","198","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","2","","Hesse, Ronny; Jäger, Anne; Schmidt, Arndt W.; Knölker, Hans-Joachim","Palladium(ii)-catalysed total synthesis of naturally occurring pyrano[3,2-a]carbazole and pyrano[2,3-b]carbazole alkaloids.","Organic & biomolecular chemistry","2014","12","23","3866","3876","10.1039/c4ob00367e","","x-ray","0.71073","MoKα","","0.0771","0.0428","","","0.0783","0.0904","","","","","","1.065","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153896","6.763","0.001","8.187","0.001","13.881","0.001","90","","91.33","0.01","90","","768.37","0.16","198","2","198","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Hesse, Ronny; Jäger, Anne; Schmidt, Arndt W.; Knölker, Hans-Joachim","Palladium(ii)-catalysed total synthesis of naturally occurring pyrano[3,2-a]carbazole and pyrano[2,3-b]carbazole alkaloids.","Organic & biomolecular chemistry","2014","12","23","3866","3876","10.1039/c4ob00367e","","x-ray","0.71073","MoKα","","0.0547","0.0386","","","0.0854","0.0936","","","","","","1.045","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153897","7.0995","0.0008","8.0775","0.0009","11.9904","0.0015","89.359","0.004","77.992","0.004","74.584","0.004","647.65","0.13","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 F O4 -","- C14 H17 F O4 -","- C28 H34 F2 O8 -","2","1","","Lee, Ji Eun; Kwon, Tae Hui; Gu, Su Jin; Lee, Duck-Hyung; Kim, B. Moon; Lee, Jae Yeol; Lee, Jae Kyun; Seo, Seon Hee; Pae, Ae Nim; Keum, Gyochang; Cho, Yong Seo; Min, Sun-Joon","Efficient synthesis of mibefradil analogues: an insight into in vitro stability.","Organic & biomolecular chemistry","2014","12","30","5669","5681","10.1039/c4ob00504j","","","0.71075","MoKα","","","0.0397","","","","0.1215","","","","","","1.105","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153898","10.8393","0.0005","16.7856","0.0003","42.689","0.002","90","","90","","90","","7767","0.5","100","2","100","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C37 H34 Cl2 F12 N2 O3 Si -","- C37 H34 Cl2 F12 N2 O3 Si -","- C296 H272 Cl16 F96 N16 O24 Si8 -","8","1","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.1354","0.0656","","","0.1412","0.1651","","","","","","0.971","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153899","8.9169","0.0013","17.351","0.003","17.602","0.003","90","","90","","90","","2723.3","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl2 N2 O3 -","- C30 H30 Cl2 N2 O3 -","- C120 H120 Cl8 N8 O12 -","4","1","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.152","0.063","","","0.1281","0.1519","","","","","","1.028","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153900","19.3984","0.001","9.6352","0.0005","16.2688","0.0009","90","","108.737","0.002","90","","2879.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","2","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.1482","0.0667","","","0.1537","0.1851","","","","","","0.98","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153901","19.0719","0.0012","5.2738","0.0003","27.2994","0.0014","90","","90.632","0.004","90","","2745.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","1","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.0948","0.054","","","0.13","0.1456","","","","","","1.042","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153902","6.894","0.002","9.539","0.003","9.718","0.003","80.82","0.011","72.41","0.009","88.45","0.012","601.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 N2 O5 S -","- C11 H10 N2 O5 S -","- C22 H20 N4 O10 S2 -","2","1","","Gao, Zhenzhen; Zhang, Lei; Sun, Zhanhu; Yu, Hao; Xiao, Yumei; Guo, Hongchao","DABCO-catalyzed [3 + 2] annulation of sulfamate-derived cyclic imines with isocyanoacetates: synthesis of sulfamate-fused 2-imidazoline.","Organic & biomolecular chemistry","2014","12","30","5691","5697","10.1039/c4ob00840e","","","0.71073","MoKα","","0.0436","0.0425","","","0.1066","0.1075","","","","","","1.116","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153903","12.3807","0.001","10.2922","0.0008","13.3591","0.001","90","","102.839","0.001","90","","1659.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","","Ji, Fei; Lv, Mei-Fang; Yi, Wen-Bin; Cai, Chun","One-pot synthesis of 2-amino-4(3H)-quinazolinones via ring-opening of isatoic anhydride and palladium-catalyzed oxidative isocyanide-insertion.","Organic & biomolecular chemistry","2014","12","30","5766","5772","10.1039/c4ob00484a","","","0.71073","MoKα","","0.0546","0.0412","","","0.1086","0.1212","","","","","","1.028","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153904","8.3283","0.001","10.8019","0.0013","10.6819","0.0012","90","","90.74","0.004","90","","960.9","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-1-(tetrahydro-2H-pyran-2-yl)pyrimidin-2(1H)-one","","- C9 H13 N3 O2 -","- C9 H13 N3 O2 -","- C36 H52 N12 O8 -","4","1","","Kananovich, Dzmitry G.; Reino, Alli; Ilmarinen, Kaja; Rõõmusoks, Marko; Karelson, Mati; Lopp, Margus","A general approach to the synthesis of 5-S-functionalized pyrimidine nucleosides and their analogues.","Organic & biomolecular chemistry","2014","12","30","5634","5644","10.1039/c4ob00597j","","","0.71073","MoKα","","0.0483","0.0413","","","0.1122","0.1178","","","","","","1.035","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153905","13.2055","0.0012","13.6518","0.0012","14.051","0.0013","71.739","0.001","63.879","0.001","63.428","0.001","2012.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 F2 N2 O5 S2 -","- C42 H36 F2 N2 O5 S2 -","- C84 H72 F4 N4 O10 S4 -","2","1","","Li, Lidong; Hu, Qiong; Zhou, Pingping; Xie, Haifeng; Zhang, Xiaorong; Zhang, Hao; Hu, Yadong; Yin, Fei; Hu, Yimin","One-step synthesis of diazaspiro[4.5]decane scaffolds with exocyclic double bonds.","Organic & biomolecular chemistry","2014","12","29","5356","5359","10.1039/c4ob00516c","","","0.71073","MoKα","","0.1361","0.096","","","0.3009","0.336","","","","","","1.025","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153906","13.315","0.003","12.121","0.003","24.851","0.006","90","","100.657","0.003","90","","3941.6","1.6","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C41 H33 F2 N3 O4 S2 -","- C41 H33 F2 N3 O4 S2 -","- C164 H132 F8 N12 O16 S8 -","4","1","","Li, Lidong; Hu, Qiong; Zhou, Pingping; Xie, Haifeng; Zhang, Xiaorong; Zhang, Hao; Hu, Yadong; Yin, Fei; Hu, Yimin","One-step synthesis of diazaspiro[4.5]decane scaffolds with exocyclic double bonds.","Organic & biomolecular chemistry","2014","12","29","5356","5359","10.1039/c4ob00516c","","","0.71073","MoKα","","0.0802","0.0506","","","0.1498","0.1648","","","","","","0.971","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153907","28.49","0.002","12.0125","0.001","27.294","0.002","90","","110.977","0.001","90","","8721.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 N3 O4 S2 -","- C43 H39 N3 O4 S2 -","- C344 H312 N24 O32 S16 -","8","1","","Li, Lidong; Hu, Qiong; Zhou, Pingping; Xie, Haifeng; Zhang, Xiaorong; Zhang, Hao; Hu, Yadong; Yin, Fei; Hu, Yimin","One-step synthesis of diazaspiro[4.5]decane scaffolds with exocyclic double bonds.","Organic & biomolecular chemistry","2014","12","29","5356","5359","10.1039/c4ob00516c","","","0.71073","MoKα","","0.099","0.0576","","","0.1739","0.1919","","","","","","1.081","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153908","18.3878","0.0011","7.5278","0.0005","26.7776","0.0015","90","","100.221","0.002","90","","3647.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cyclic Trimer of 3-(Diethylborylethynyl)pyridine","","","- C36 H48 B3 N3 O3 -","- C36 H48 B3 N3 O3 -","- C144 H192 B12 N12 O12 -","4","1","","Wakabayashi, Shigeharu; Kuse, Mitsumi; Kida, Aimi; Komeda, Seiji; Tatsumi, Kazuyuki; Sugihara, Yoshikazu","The structure of 3-(diethylborylethynyl)pyridine: a nonplanarly arranged cyclic trimer.","Organic & biomolecular chemistry","2014","12","29","5382","5387","10.1039/c4ob00849a","","","0.71075","MoKα","","0.1137","0.0553","","","0.1425","0.1785","","","","","","1.046","","","","has coordinates","287929","2023-12-01","12:10:10",""
"7153909","9.96379","0.00018","10.04828","0.00018","19.6441","0.0004","90","","90","","90","","1966.75","0.06","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 O3 Se -","- C24 H16 O3 Se -","- C96 H64 O12 Se4 -","4","1","","Wu, Xiangfei; Shirakawa, Seiji; Maruoka, Keiji","Efficient asymmetric synthesis of spiro-2(3H)-furanones via phase-transfer-catalyzed alkynylation.","Organic & biomolecular chemistry","2014","12","29","5388","5392","10.1039/c4ob00969j","","","1.54187","CuKα","","","0.0541","","","","0.222","","","","","","1.604","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153910","19.6382","0.0007","10.7068","0.0003","21.8503","0.0009","90","","119.245","0.005","90","","4008.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 Br2 Cl2 N8 O4 -","- C41 H36 Br2 Cl2 N8 O4 -","- C164 H144 Br8 Cl8 N32 O16 -","4","0.5","","Khlebnikov, Alexander F.; Tomashenko, Olesya A.; Funt, Liya D.; Novikov, Mikhail S.","A simple approach to pyrrolylimidazole derivatives by azirine ring expansion with imidazolium ylides.","Organic & biomolecular chemistry","2014","12","34","6598","6609","10.1039/c4ob00865k","","","0.7107","MoKα","","0.0469","0.0347","","","0.0735","0.0784","","","","","","1.019","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153911","9.1221","0.0002","10.9612","0.0003","12.8679","0.0003","71.798","0.002","79.244","0.002","88.953","0.002","1199.69","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Br N4 -","- C28 H24 Br N4 -","- C56 H48 Br2 N8 -","2","1","","Khlebnikov, Alexander F.; Tomashenko, Olesya A.; Funt, Liya D.; Novikov, Mikhail S.","A simple approach to pyrrolylimidazole derivatives by azirine ring expansion with imidazolium ylides.","Organic & biomolecular chemistry","2014","12","34","6598","6609","10.1039/c4ob00865k","","","1.54184","CuKα","","0.0607","0.0593","","","0.1439","0.1449","","","","","","1.081","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153912","11.4914","0.0004","11.8011","0.0003","13.043","0.0006","90","","107.162","0.005","90","","1690.02","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N4 O2 -","- C20 H16 N4 O2 -","- C80 H64 N16 O8 -","4","1","","Khlebnikov, Alexander F.; Tomashenko, Olesya A.; Funt, Liya D.; Novikov, Mikhail S.","A simple approach to pyrrolylimidazole derivatives by azirine ring expansion with imidazolium ylides.","Organic & biomolecular chemistry","2014","12","34","6598","6609","10.1039/c4ob00865k","","","0.7107","MoKα","","0.0638","0.0436","","","0.0907","0.1171","","","","","","1.124","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153913","12.5878","0.0002","9.3875","0.0002","14.5609","0.0003","90","","98.3672","0.0008","90","","1702.32","0.06","150","","150","","","","","","","","syn","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cl N2 O3 -","- C18 H19 Cl N2 O3 -","- C72 H76 Cl4 N8 O12 -","4","1","","Knipe, Peter C.; Smith, Martin D.","Enantioselective one-pot synthesis of dihydroquinolones via BINOL-derived Lewis acid catalysis.","Organic & biomolecular chemistry","2014","12","28","5094","5097","10.1039/c4ob00627e","","","0.71073","MoKα","","0.0572","0.0402","","0.1104","0.0945","0.1104","","","","","","0.9508","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153914","12.552","0.001","8.49","0.001","15.725","0.001","90","","104.14","0.01","90","","1625","0.3","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Hasebein, Peer; Frehland, Bastian; Lehmkuhl, Kirstin; Fröhlich, Roland; Schepmann, Dirk; Wünsch, Bernhard","Synthesis and pharmacological evaluation of like- and unlike-configured tetrahydro-2-benzazepines with the α-substituted benzyl moiety in the 5-position.","Organic & biomolecular chemistry","2014","12","29","5407","5426","10.1039/c4ob00510d","","","0.71073","MoKα","","0.0697","0.0453","","","0.101","0.1108","","","","","","1.041","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153915","5.8931","0.0013","20.199","0.004","11.95","0.003","90","","92.215","0.004","90","","1421.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Fe N4 -","- C17 H14 Fe N4 -","- C68 H56 Fe4 N16 -","4","1","","Sun, Ranfeng; Wang, Huangdong; Hu, Jianfeng; Zhao, Jiudong; Zhang, Hao","Pyridine-phosphinimine ligand-accelerated Cu(i)-catalyzed azide-alkyne cycloaddition for preparation of 1-(pyridin-2-yl)-1,2,3-triazole derivatives.","Organic & biomolecular chemistry","2014","12","31","5954","5963","10.1039/c4ob01176g","","","0.71073","MoKα","","0.0436","0.0344","","","0.0848","0.0897","","","","","","1.034","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153916","10.14509","0.00012","9.34727","0.00009","19.6126","0.0003","90","","101.171","0.0012","90","","1824.61","0.04","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H38 Cl2 N3 O6 -","- C39 H38 Cl2 N3 O6 -","- C78 H76 Cl4 N6 O12 -","2","1","","Tang, Zhongkai; Shi, Yan; Mao, Haibin; Zhu, Xuebin; Li, Weipeng; Cheng, Yixiang; Zheng, Wen-Hua; Zhu, Chengjian","Highly enantioselective synthesis of bisoxindoles with two vicinal quaternary stereocenters via Lewis base mediated addition of oxindoles to isatin-derived ketimines.","Organic & biomolecular chemistry","2014","12","32","6085","6088","10.1039/c4ob01039f","","","1.54184","CuKα","","0.0707","0.0694","","","0.1756","0.1772","","","","","","1.02","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153917","5.544","0.0018","23.166","0.008","12.365","0.004","90","","102.769","0.004","90","","1548.8","0.9","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","","Murphy, Samantha; Bright, Sandra A.; Poynton, Fergus E.; McCabe, Thomas; Kitchen, Jonathan A.; Veale, Emma B.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Synthesis, photophysical and cytotoxicity evaluations of DNA targeting agents based on 3-amino-1,8-naphthalimide derived Tröger's bases.","Organic & biomolecular chemistry","2014","12","34","6610","6623","10.1039/c3ob42213e","","","0.71075","MoKα","","0.0907","0.0599","","","0.17","0.2225","","","","","","1.123","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153918","6.962","0.002","14.046","0.005","16.346","0.006","90","","95.843","0.004","90","","1590.1","0.9","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C76 H84 N12 O8 -","4","1","","Murphy, Samantha; Bright, Sandra A.; Poynton, Fergus E.; McCabe, Thomas; Kitchen, Jonathan A.; Veale, Emma B.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Synthesis, photophysical and cytotoxicity evaluations of DNA targeting agents based on 3-amino-1,8-naphthalimide derived Tröger's bases.","Organic & biomolecular chemistry","2014","12","34","6610","6623","10.1039/c3ob42213e","","","0.71075","MoKα","","0.0697","0.0588","","","0.1139","0.119","","","","","","1.202","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153919","6.6599","0.0017","21.31","0.005","11.054","0.003","90","","99.174","0.004","90","","1548.7","0.7","118","2","118","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C72 H76 N12 O8 -","4","1","","Murphy, Samantha; Bright, Sandra A.; Poynton, Fergus E.; McCabe, Thomas; Kitchen, Jonathan A.; Veale, Emma B.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Synthesis, photophysical and cytotoxicity evaluations of DNA targeting agents based on 3-amino-1,8-naphthalimide derived Tröger's bases.","Organic & biomolecular chemistry","2014","12","34","6610","6623","10.1039/c3ob42213e","","","0.71075","MoKα","","0.0845","0.0583","","","0.1641","0.1973","","","","","","1.169","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153920","26.0037","0.0015","10.4097","0.0006","15.2507","0.0009","90","","98.599","0.001","90","","4081.8","0.4","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 N S -","- C28 H19 N S -","- C224 H152 N8 S8 -","8","1","","Saito, Takao; Sonoki, Yoshihiko; Otani, Takashi; Kutsumura, Noriki","Triflic acid-promoted cycloisomerization of 2-alkynylphenyl isothiocyanates and isocyanates: a novel synthetic method for a variety of indole derivatives.","Organic & biomolecular chemistry","2014","12","42","8398","8407","10.1039/c4ob00825a","","","0.71073","MoKα","","0.0424","0.0391","","","0.0999","0.1032","","","","","","1.008","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153921","10.8131","0.0016","6.5022","0.001","16.577","0.003","90","","105.352","0.002","90","","1123.9","0.3","291","","291","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Saito, Takao; Sonoki, Yoshihiko; Otani, Takashi; Kutsumura, Noriki","Triflic acid-promoted cycloisomerization of 2-alkynylphenyl isothiocyanates and isocyanates: a novel synthetic method for a variety of indole derivatives.","Organic & biomolecular chemistry","2014","12","42","8398","8407","10.1039/c4ob00825a","","","0.71073","MoKα","","0.0994","0.0659","","","0.1605","0.1829","","","","","","0.895","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153922","38.9202","0.0004","12.316","0.0003","14.8423","0.0006","90","","99.601","0.004","90","","7014.9","0.3","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C41 H31 Cl3 N4 -","- C41 H31 Cl3 N4 -","- C328 H248 Cl24 N32 -","8","2","","Dokládalová, L; Bureš, F; Kuznik, W.; Kityk, I. V.; Wojciechowski, A.; Mikysek, T.; Almonasy, N.; Ramaiyan, M.; Padělková, Z; Kulhánek, J; Ludwig, M.","Dicyanobenzene and dicyanopyrazine derived X-shaped charge-transfer chromophores: comparative and structure-property relationship study.","Organic & biomolecular chemistry","2014","12","29","5517","5527","10.1039/c4ob00901k","","","0.71073","MoKα","","0.1146","0.0763","","","0.1622","0.1892","","","","","","1.168","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153923","12.148","0.0005","13.7149","0.0006","14.8781","0.0012","98.9","0.006","107.234","0.005","108.859","0.004","2152.7","0.3","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C24.5 H23 Cl N4 -","- C24.5 H23 Cl N4 -","- C98 H92 Cl4 N16 -","4","2","","Dokládalová, L; Bureš, F; Kuznik, W.; Kityk, I. V.; Wojciechowski, A.; Mikysek, T.; Almonasy, N.; Ramaiyan, M.; Padělková, Z; Kulhánek, J; Ludwig, M.","Dicyanobenzene and dicyanopyrazine derived X-shaped charge-transfer chromophores: comparative and structure-property relationship study.","Organic & biomolecular chemistry","2014","12","29","5517","5527","10.1039/c4ob00901k","","","0.71073","MoKα","","0.0725","0.0513","","","0.1166","0.1341","","","","","","1.084","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7153924","9.76204","0.00004","9.76204","0.00004","31.9566","0.0002","90","","90","","90","","3045.38","0.03","100","2","100","2","","","","","","","synthesis as described","6","P 41","P 4w","76","","","","- C34 H34 Cl N3 Ni O4 -","- C34 H34 Cl N3 Ni O4 -","- C136 H136 Cl4 N12 Ni4 O16 -","4","1","","Takeda, Ryosuke; Kawamura, Akie; Kawashima, Aki; Moriwaki, Hiroki; Sato, Tatsunori; Aceña, José Luis; Soloshonok, Vadim A.","Design and synthesis of (S)- and (R)-α-(phenyl)ethylamine-derived NH-type ligands and their application for the chemical resolution of α-amino acids.","Organic & biomolecular chemistry","2014","12","32","6239","6249","10.1039/c4ob00669k","","x-ray","1.54184","CuKα","","0.0263","0.0262","","","0.0698","0.0699","","","","","","1.115","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153925","7.541","0.002","10.227","0.003","10.666","0.003","79.51","0.005","74.206","0.005","70.686","0.005","743.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 I O3 -","- C16 H17 I O3 -","- C32 H34 I2 O6 -","2","1","","Surasani, Seshi Reddy; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Diels-Alder reactions of 4-halo masked o-benzoquinones. Experimental and theoretical investigations.","Organic & biomolecular chemistry","2014","12","30","5656","5668","10.1039/c4ob00856a","","","0.71073","MoKα","","0.0481","0.0466","","","0.1229","0.1243","","","","","","1.188","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153926","10.6073","0.0017","7.7726","0.0013","21.494","0.003","90","","119.15","0.006","90","","1547.7","0.4","240","","240","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br O3 S -","- C16 H17 Br O3 S -","- C64 H68 Br4 O12 S4 -","4","1","","Surasani, Seshi Reddy; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Diels-Alder reactions of 4-halo masked o-benzoquinones. Experimental and theoretical investigations.","Organic & biomolecular chemistry","2014","12","30","5656","5668","10.1039/c4ob00856a","","","0.71073","MoKα","","0.0638","0.0408","","","0.0719","0.0779","","","","","","0.995","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153927","5.9259","0.0003","11.0893","0.0006","12.334","0.0006","79.323","0.003","78.333","0.003","86.45","0.003","779.78","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","6-(4-Methoxyphenyl)-6<i>H</i>-indolo[2,3-b]quinoxaline","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C42 H30 N6 O2 -","2","1","","Hung, Tran Quang; Hoang, Do Huy; Thang, Ngo Ngoc; Dang, Tuan Thanh; Ayub, Khurshid; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Flechsig, Gerd-Uwe; Langer, Peter","Palladium catalyzed synthesis and physical properties of indolo[2,3-b]quinoxalines.","Organic & biomolecular chemistry","2014","12","32","6151","6166","10.1039/c4ob00841c","","","0.71073","MoKα","","0.1439","0.0583","","","0.1007","0.132","","","","","","1.011","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153928","7.3149","0.0003","15.0792","0.0008","16.8977","0.0008","72.116","0.002","88.582","0.002","77.75","0.002","1731.78","0.14","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","6-(3-Phenylpropyl)-6<i>H</i>-indolo[2,3-b]quinoxaline","","- C23 H19 N3 -","- C23 H19 N3 -","- C92 H76 N12 -","4","2","","Hung, Tran Quang; Hoang, Do Huy; Thang, Ngo Ngoc; Dang, Tuan Thanh; Ayub, Khurshid; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Flechsig, Gerd-Uwe; Langer, Peter","Palladium catalyzed synthesis and physical properties of indolo[2,3-b]quinoxalines.","Organic & biomolecular chemistry","2014","12","32","6151","6166","10.1039/c4ob00841c","","","0.71073","MoKα","","0.11","0.0528","","","0.1173","0.145","","","","","","1.025","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153929","10.6","0.004","12.434","0.005","16.898","0.006","90","","90","","90","","2227.2","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O6 S -","- C24 H25 N O6 S -","- C96 H100 N4 O24 S4 -","4","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Enantioselective synthesis of γ-tetrasubstituted nitrosulfonyl carboxylates and amides vial-tert-leucine-derived-squaramide catalyzed conjugate addition of nitrosulfones to acrylates and acrylamides.","Organic & biomolecular chemistry","2014","12","33","6425","6431","10.1039/c4ob00344f","","","0.71073","MoKα","","0.0419","0.0381","","","0.0867","0.0885","","","","","","1.032","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153930","9.1435","0.0017","6.0132","0.0011","23.209","0.005","90","","90.53","0.003","90","","1276","0.4","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N O S -","- C13 H14 Cl N O S -","- C52 H56 Cl4 N4 O4 S4 -","4","1","","Stephens, David E.; Chavez, Gabriel; Valdes, Martin; Dovalina, Monica; Arman, Hadi D.; Larionov, Oleg V.","Synthetic and mechanistic aspects of the regioselective base-mediated reaction of perfluoroalkyl- and perfluoroarylsilanes with heterocyclic N-oxides.","Organic & biomolecular chemistry","2014","12","32","6190","6199","10.1039/c4ob01088d","","","0.71073","MoKα","","0.0397","0.0372","","","0.0993","0.1019","","","","","","1.003","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153931","9.1083","0.0018","9.872","0.002","16.583","0.003","90","","101.24","0.03","90","","1462.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C88 H56 N8 -","4","1","","Gong, Peng; Xue, Pengchong; Qian, Chong; Zhang, Zhenqi; Lu, Ran","Balanced π-π interactions directing the self-assembly of indolocarbazole-based low molecular mass organogelators.","Organic & biomolecular chemistry","2014","12","32","6134","6144","10.1039/c4ob00873a","","","0.71073","MoKα","","0.081","0.0526","","","0.1222","0.1342","","","","","","1.003","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153932","42.672","0.017","14.426","0.006","25.267","0.01","90","","110.3","0.005","90","","14588","10","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C138 H112 Cl4 N4 Pd2 -","- C138 H112 Cl4 N4 Pd2 -","- C552 H448 Cl16 N16 Pd8 -","4","0.5","","Lesieur, Mathieu; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","[Pd(μ-Cl)Cl(IPr*)]2: a highly hindered pre-catalyst for the synthesis of tetra-ortho-substituted biaryls via Grignard reagent cross-coupling.","Organic & biomolecular chemistry","2014","12","30","5586","5589","10.1039/c4ob01269k","","","0.71075","MoKα","","","0.2385","","","","0.5675","","","","","","2.162","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153933","5.9048","0.0014","20.852","0.005","9.218","0.002","90","","94.46","0.004","90","","1131.5","0.5","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H24 O2 S -","- C28 H24 O2 S -","- C56 H48 O4 S2 -","2","1","","Liu, Saiwen; Tang, Lichang; Chen, Hui; Zhao, Feng; Deng, Guo-Jun","Iron-catalyzed tetrasubstituted alkene formation from alkynes and sodium sulfinates.","Organic & biomolecular chemistry","2014","12","32","6076","6079","10.1039/c4ob00816b","","","0.71073","MoKα","","0.0519","0.0471","","","0.1023","0.1055","","","","","","1.079","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153934","9.694","0.003","9.672","0.003","27.021","0.008","90","","95.745","0.003","90","","2520.8","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O4 S -","- C30 H28 O4 S -","- C120 H112 O16 S4 -","4","1","","Liu, Saiwen; Tang, Lichang; Chen, Hui; Zhao, Feng; Deng, Guo-Jun","Iron-catalyzed tetrasubstituted alkene formation from alkynes and sodium sulfinates.","Organic & biomolecular chemistry","2014","12","32","6076","6079","10.1039/c4ob00816b","","","0.71073","MoKα","","0.079","0.0687","","","0.1406","0.1459","","","","","","1.181","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153935","8.38","0.003","9.942","0.004","19.911","0.007","87.992","0.007","88.509","0.007","72.843","0.007","1583.9","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H31 Cl I N O6 S -","- C34 H31 Cl I N O6 S -","- C68 H62 Cl2 I2 N2 O12 S2 -","2","1","","Wu, Jing; Wang, Dongping; Wang, Haolong; Wu, Fan; Li, Xincheng; Wan, Boshun","Facile synthesis of 5H-benzo[b]carbazol-6-yl ketones via sequential reaction of Cu-catalyzed Friedel-Crafts alkylation, iodine-promoted cyclization, nucleophilic substitution and aromatization.","Organic & biomolecular chemistry","2014","12","35","6806","6811","10.1039/c4ob00815d","","","0.71073","MoKα","","0.0893","0.0499","","","0.1329","0.1837","","","","","","1.002","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153936","6.1142","0.0012","12.283","0.003","5.6061","0.0011","90","","107.7","0.03","90","","401.09","0.16","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 O4 -","- C10 H6 O4 -","- C20 H12 O8 -","2","0.5","","Korshin, Edward E.; Leitus, Gregory M.; Bendikov, Michael","Convenient access to readily soluble symmetrical dialkyl-substituted α-oligofurans.","Organic & biomolecular chemistry","2014","12","34","6661","6671","10.1039/c4ob00898g","","","0.71073","MoKα","","0.0421","0.0365","","","0.1062","0.1124","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153937","17.4725","0.001","8.0638","0.0004","24.9462","0.0014","90","","109.224","0.001","90","","3318.8","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br N O2 -","- C18 H18 Br N O2 -","- C144 H144 Br8 N8 O16 -","8","2","","Wei, Enxiang; Liu, Bing; Lin, Shaoxia; Liang, Fushun","Multicomponent reaction of chalcones, malononitrile and DMF leading to γ-ketoamides.","Organic & biomolecular chemistry","2014","12","33","6389","6392","10.1039/c4ob00971a","","","0.71073","MoKα","","0.0642","0.0409","","","0.0903","0.0994","","","","","","0.989","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153938","19.6835","0.0002","8.2719","0.0001","31.373","0.0003","90","","90","","90","","5108.15","0.09","290","2","290","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H36 Cl N2 Ni P -","- C26 H36 Cl N2 Ni P -","- C208 H288 Cl8 N16 Ni8 P8 -","8","2","","Wu, Dan; Wang, Zhong-Xia","P,N,N-Pincer nickel-catalyzed cross-coupling of aryl fluorides and chlorides.","Organic & biomolecular chemistry","2014","12","33","6414","6424","10.1039/c4ob01041h","","","1.54184","CuKα","","0.0326","0.0311","","","0.084","0.0856","","","","","","1.033","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153939","8.4396","0.0006","10.7479","0.0007","11.8458","0.0007","104.955","0.006","96.292","0.005","96.603","0.005","1020.31","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C50 H42 N2 O8 -","2","1","","Sakthivel, Karuppusamy; Srinivasan, Kannupal","Synthesis of 3,3-disubstituted-2,3-dihydroazanaphthoquinones via simultaneous alkyne oxidation and nitrile hydration of ortho-alkynylarenenitriles.","Organic & biomolecular chemistry","2014","12","33","6440","6446","10.1039/c4ob00852a","","","0.71073","MoKα","","0.1113","0.0558","","","0.117","0.1386","","","","","","1.015","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153940","8.7172","0.0013","9.5695","0.0016","26.86","0.005","88.821","0.007","89.825","0.009","71.559","0.006","2125.1","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","3-CH3C(O)NH-TtBuCorrCu","","","- C51 H50 Cu N5 O -","- C51 H50 Cu N5 O -","- C102 H100 Cu2 N10 O2 -","2","1","","Stefanelli, M.; Mancini, M.; Raggio, M.; Nardis, S.; Fronczek, F. R.; McCandless, G. T.; Smith, K. M.; Paolesse, R.","3-NO2-5,10,15-triarylcorrolato-Cu as a versatile platform for synthesis of novel 3-functionalized corrole derivatives.","Organic & biomolecular chemistry","2014","12","32","6200","6207","10.1039/c4ob01247j","","","1.54178","CuKα","","0.0759","0.0727","","","0.1866","0.1892","","","","","","1.059","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153941","9.167","0.0002","13.2568","0.0003","15.2701","0.0004","90","","90","","90","","1855.7","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N3 O3 -","- C21 H27 N3 O3 -","- C84 H108 N12 O12 -","4","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","1.54178","CuKα","","0.045","0.0449","","","0.1232","0.1236","","","","","","1.042","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153942","7.3581","0.0012","9.136","0.0016","23.005","0.004","90","","90","","90","","1546.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl N2 O4 -","- C17 H17 Cl N2 O4 -","- C68 H68 Cl4 N8 O16 -","4","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","0.71073","MoKα","","0.0329","0.0284","","","0.068","0.0702","","","","","","1.045","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153943","6.8411","0.0003","12.9417","0.0006","16.7006","0.0008","90","","90","","90","","1478.6","0.12","175","2","175","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","1.54178","CuKα","","0.0541","0.054","","","0.132","0.132","","","","","","1.106","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153944","8.1091","0.0002","11.2247","0.0003","11.0425","0.0004","90","","106.116","0.001","90","","965.61","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17.9 H27.58 Br2 N2 O1.9 -","- C17.888 H27.552 Br2 N2 O1.888 -","- C35.776 H55.104 Br4 N4 O3.776 -","2","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","0.71073","MoKα","","0.0412","0.0393","","","0.104","0.1051","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153945","30.245","0.006","14.537","0.003","10.379","0.002","90","","90","","90","","4563.4","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H28 B N O4 S -","- C22 H28 B N O4 S -","- C176 H224 B8 N8 O32 S8 -","8","1","","He, Guangke; Chen, Shan; Wang, Qiang; Huang, Hai; Zhang, Qijun; Zhang, Dongming; Zhang, Rong; Zhu, Hongjun","Studies on copper(i)-catalyzed highly regio- and stereo-selective hydroboration of alkynamides.","Organic & biomolecular chemistry","2014","12","31","5945","5953","10.1039/c4ob00979g","","","0.71073","MoKα","","0.1949","0.068","","","0.1238","0.1719","","","","","","1.002","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153946","12.1328","0.0011","13.7151","0.0015","10.0433","0.0007","90","","90","","90","","1671.2","0.3","290","2","290","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H13 Br Cl3 N O2 -","- C13 H13 Br Cl3 N O2 -","- C52 H52 Br4 Cl12 N4 O8 -","4","1","","Zhu, Rui; Yu, Kai; Gu, Zhenhua","N-Bromoacetamide-mediated domino cyclization and elimination of homoallylic trichloroacetimidates: a novel approach toward the synthesis of 1-bromo-2-amino-3-butene derivatives.","Organic & biomolecular chemistry","2014","12","34","6653","6660","10.1039/c4ob01126k","","","1.54184","CuKα","","0.0715","0.0596","","","0.1598","0.1768","","","","","","1.045","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153947","9.6034","0.0005","15.7805","0.0008","19.7861","0.001","90","","90","","90","","2998.5","0.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1R,3aS,6R,6aR)-1-(2-bromophenyl)-6-phenyl-hexahydrofuro[3,4-c]furan","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C144 H136 Br8 O16 -","8","1","","Subba Reddy, B. V.; Ramana Reddy, M.; Sridhar, B.; Singarapu, Kiran Kumar","Acetal-initiated Prins bicyclization for the synthesis of hexahydrofuro-[3,4-c]furan lignans and octahydropyrano[3,4-c]pyran derivatives.","Organic & biomolecular chemistry","2014","12","26","4754","4762","10.1039/c4ob00305e","","","0.71073","MoKα","","0.0405","0.0314","","","0.0824","0.0903","","","","","","1.082","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153948","11.211","0.0012","16.7616","0.0018","18.3398","0.0019","90","","90","","90","","3446.3","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,4aS,8S,8aS)-1-(2-bromophenyl)-8-phenyl-octahydropyrano[3,4-c]pyran","","- C20 H21 Br O2 -","- C20 H21 Br O2 -","- C160 H168 Br8 O16 -","8","2","","Subba Reddy, B. V.; Ramana Reddy, M.; Sridhar, B.; Singarapu, Kiran Kumar","Acetal-initiated Prins bicyclization for the synthesis of hexahydrofuro-[3,4-c]furan lignans and octahydropyrano[3,4-c]pyran derivatives.","Organic & biomolecular chemistry","2014","12","26","4754","4762","10.1039/c4ob00305e","","","0.71073","MoKα","","0.0431","0.0344","","","0.0881","0.0912","","","","","","0.974","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153949","8.856","0.001","13.861","0.001","10.868","0.001","90","","92.41","0.01","90","","1332.9","0.2","293","2","293","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Gassner, Cemena; Hesse, Ronny; Schmidt, Arndt W.; Knölker, Hans-Joachim","Total synthesis of the cyclic monoterpenoid pyrano[3,2-a]carbazole alkaloids derived from 2-hydroxy-6-methylcarbazole.","Organic & biomolecular chemistry","2014","12","33","6490","6499","10.1039/c4ob01151a","","x-ray","0.71073","MoKα","","0.0556","0.0436","","","0.1205","0.1318","","","","","","1.063","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153950","11.9849","0.0008","8.8043","0.0006","14.3967","0.001","90","","93.67","0.002","90","","1516.01","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N O2 -","- C18 H14 Br N O2 -","- C72 H56 Br4 N4 O8 -","4","1","","Wei, Lai; Liu, Lu; Zhang, Junliang","Scandium-catalyzed tandem selective oxirane ring-opening/Friedel-Crafts alkylation: a facile access to [1,4]oxazino[4,3-a]indoles and 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazines.","Organic & biomolecular chemistry","2014","12","35","6869","6877","10.1039/c4ob01057d","","","0.71073","MoKα","","0.052","0.0375","","","0.0923","0.1024","","","","","","1.021","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153951","6.668","0.0016","19.172","0.003","14.717","0.002","90","","96.264","0.019","90","","1870.2","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N -","- C17 H13 N -","- C102 H78 N6 -","6","1.5","","Gong, Liang; Xing, Li-Juan; Xu, Tong; Zhu, Xue-Ping; Zhou, Wen; Kang, Ning; Wang, Bin","Metal-free oxidative olefination of primary amines with benzylic C-H bonds through direct deamination and C-H bond activation.","Organic & biomolecular chemistry","2014","12","34","6557","6560","10.1039/c4ob01025f","","","0.71075","MoKα","","0.0751","0.0723","","","0.152","0.1536","","","","","","1.235","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7153952","11.1108","0.00007","14.8838","0.0001","17.8512","0.0001","90","","90.9022","0.0006","90","","2951.7","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O16 -","- C32 H30 O16 -","- C128 H120 O64 -","4","2","","Wu, Hao Chen; Ge, Hui Ming; Zang, Le Yun; Bei, Yun Cheng; Niu, Zhi Yuan; Wei, Wei; Feng, Xiu Jing; Ding, Sen; Ng, Seik Weng; Shen, Ping Ping; Tan, Ren Xiang","Diaporine, a novel endophyte-derived regulator of macrophage differentiation.","Organic & biomolecular chemistry","2014","12","34","6545","6548","10.1039/c4ob01123f","","","1.54184","CuKα","","0.0273","0.027","","","0.073","0.0733","","","","","","1.017","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153953","15.769","0.003","18.047","0.003","18.752","0.003","102.985","0.003","91.397","0.002","91.223","0.003","5196.5","1.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H107 F12 N8 O14 P2 S2 -","- C89 H107 F12 N8 O14 P2 S2 -","- C178 H214 F24 N16 O28 P4 S4 -","2","1","","Hu, Fang; Huang, Juanyun; Cao, Meijiao; Chen, Zhao; Yang, Ying-Wei; Liu, Sheng Hua; Yin, Jun","Dithienylethene-based rotaxanes: synthesis, characterization and properties.","Organic & biomolecular chemistry","2014","12","39","7712","7720","10.1039/c4ob01213e","","","0.71073","MoKα","","0.129","0.0698","","","0.1945","0.2242","","","","","","0.926","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153954","10.812","0.003","11.923","0.003","18.961","0.005","90","","93.509","0.009","90","","2439.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O4 S -","- C25 H29 N O4 S -","- C100 H116 N4 O16 S4 -","4","1","","Saikia, Anil K.; Indukuri, Kiran; Das, Jagadish","Stereoselective synthesis of O-tosyl azabicyclic derivatives via aza Prins reaction of endocyclic N-acyliminium ions: application to the total synthesis of (±)-epi-indolizidine 167B and 209D.","Organic & biomolecular chemistry","2014","12","36","7026","7035","10.1039/c4ob01130a","","","0.71073","MoKα","","0.0674","0.0467","","","0.1265","0.1433","","","","","","0.949","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153955","15.7738","0.0007","7.7296","0.0004","17.0325","0.0007","90","","104.216","0.005","90","","2013.1","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O2 -","- C25 H21 N3 O2 -","- C100 H84 N12 O8 -","4","1","","Xue, Pengchong; Yao, Boqi; Zhang, Yuan; Chen, Peng; Li, Kechang; Liu, Baijun; Lu, Ran","A large dipole moment to promote gelation for 4-nitrophenylacrylonitrile derivatives with gelation-induced emission enhancement properties.","Organic & biomolecular chemistry","2014","12","36","7110","7118","10.1039/c4ob00768a","","","0.71073","MoKα","","0.0853","0.0514","","","0.1035","0.1254","","","","","","1.039","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153956","8.1838","0.0006","8.4093","0.0006","18.4956","0.0015","83.381","0.007","77.526","0.004","63.273","0.005","1109.8","0.15","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N4 O7 -","- C23 H26 N4 O7 -","- C46 H52 N8 O14 -","2","1","","Bourgault, Jean Paul; Maddirala, Amarendar Reddy; Andreana, Peter R.","A one-pot multicomponent coupling/cyclization for natural product herbicide (±)-thaxtomin A.","Organic & biomolecular chemistry","2014","12","41","8125","8127","10.1039/c4ob01148a","","","1.54178","CuKα","","0.0482","0.0406","","","0.1042","0.1097","","","","","","1.041","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7153957","13.4151","0.0003","11.3424","0.0003","14.8403","0.0003","90","","111.247","0.001","90","","2104.61","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","()-Thaxtomin A","","- C22.2 H22.8 N4 O6.2 -","- C22 H21.3 N4.4 O6 -","- C88 H85.2 N17.6 O24 -","4","1","","Bourgault, Jean Paul; Maddirala, Amarendar Reddy; Andreana, Peter R.","A one-pot multicomponent coupling/cyclization for natural product herbicide (±)-thaxtomin A.","Organic & biomolecular chemistry","2014","12","41","8125","8127","10.1039/c4ob01148a","","","1.54178","CuKα","","0.0431","0.0417","","","0.1095","0.1106","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153958","10.3575","0.0002","10.0578","0.0003","26.8362","0.0007","90","","97.191","0.001","90","","2773.64","0.12","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C104 H160 O40 -","8","2","","Mondal, Soumik; Sureshan, Kana M.","Total syntheses and structural validation of lincitol A, lincitol B, uvacalol I, uvacalol J, and uvacalol K.","Organic & biomolecular chemistry","2014","12","37","7279","7289","10.1039/c4ob01329h","","","0.71073","MoKα","","0.0507","0.0409","","","0.1154","0.1236","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153959","11.2697","0.00015","5.81937","0.00007","16.56046","0.00018","90","","99.6391","0.0011","90","","1070.74","0.02","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Si2 -","- C24 H26 Si2 -","- C48 H52 Si4 -","2","0.5","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.7107","MoKα","","0.0352","0.0327","","","0.0937","0.0963","","","","","","1.063","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153960","23.6928","0.0002","8.6313","0.0001","24.1592","0.0002","90","","117.042","0.0005","90","","4400.4","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Si2 -","- C24 H26 Si2 -","- C192 H208 Si16 -","8","2","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.71073","MoKα","","0.0395","0.0335","","","0.0936","0.098","","","","","","1.039","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153961","10.93715","0.00019","11.26203","0.00016","9.96535","0.00016","90","","105.935","0.0017","90","","1180.31","0.03","100.01","0.15","100.01","0.15","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 -","- C18 H10 -","- C72 H40 -","4","1","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.7107","MoKα","","0.0489","0.0428","","","0.1229","0.1277","","","","","","1.068","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153962","11.4064","0.0002","6.07068","0.00012","16.7481","0.0004","90","","104.563","0.002","90","","1122.46","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Sn2 -","- C24 H26 Sn2 -","- C48 H52 Sn4 -","2","0.5","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.7107","MoKα","","0.026","0.0225","","","0.0532","0.0558","","","","","","1.068","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153963","15.3809","0.0003","15.4149","0.0003","21.7315","0.0004","80.6982","0.0015","74.6369","0.0017","86.9597","0.0015","4902.7","0.17","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C25.5 H29.5 Sn2 -","- C25.5 H29.5 Sn2 -","- C204 H236 Sn16 -","8","4","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.7107","MoKα","","0.0311","0.0238","","","0.0465","0.049","","","","","","1.032","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7153964","8.564","0.003","10.244","0.004","12.957","0.005","79.45","0.03","82.013","0.015","76.34","0.011","1080.4","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H52 Si4 -","- C48 H52 Si4 -","- C48 H52 Si4 -","1","0.5","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","1.54178","CuKα","","0.035","0.0335","","","0.0901","0.0912","","","","","","1.062","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153965","7.5761","0.0006","10.0339","0.0008","12.7454","0.0008","110.973","0.005","99.303","0.005","101.673","0.004","856.46","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 Cl4 Si2 -","- C38 H32 Cl4 Si2 -","- C38 H32 Cl4 Si2 -","1","0.5","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.71073","MoKα","","0.0398","0.0347","","","0.0876","0.0915","","","","","","1.039","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153966","6.121","0.005","30.224","0.005","8.524","0.005","90","0.005","104.105","0.005","90","0.005","1529.4","1.6","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Fe N O -","- C19 H17 Fe N O -","- C76 H68 Fe4 N4 O4 -","4","1","","Teng, Qiang; Hu, Jianfeng; Ling, Li; Sun, Ranfeng; Dong, Junyang; Chen, Shufeng; Zhang, Hao","Copper-catalyzed direct alkylation of 1,3-azoles with N-tosylhydrazones bearing a ferrocenyl group: a novel method for the synthesis of ferrocenyl-based ligands.","Organic & biomolecular chemistry","2014","12","39","7721","7727","10.1039/c4ob01093k","","","0.71073","MoKα","","0.0997","0.0965","","","0.1923","0.1937","","","","","","1.14","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153967","38.7","1","9.0001","0.0013","33.32","0.0003","90","","109.69","","90","","10927","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H100 Br2 N8 Ni2 -","- C96 H100 Br2 N8 Ni2 -","- C384 H400 Br8 N32 Ni8 -","4","1","","Feng, Chuan-Mi; Zhu, Yi-Zhou; Zang, Yun; Tong, Yu-Zhang; Zheng, Jian-Yu","Switchable regioselectivity in the PIFA-BF3·Et2O mediated oxidative coupling of meso-brominated Ni(ii) porphyrin.","Organic & biomolecular chemistry","2014","12","36","6990","6993","10.1039/c4ob01517g","","","0.71073","MoKα","","0.141","0.0994","","","0.2754","0.309","","","","","","1.023","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153968","11.4323","0.0013","9.4544","0.001","11.5317","0.0013","90","","107.545","0.002","90","","1188.4","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O9 -","- C23 H32 O9 -","- C46 H64 O18 -","2","1","","Pazos, G.; Pérez, M; Gándara, Z; Gómez, G; Fall, Y.","Synthesis of a chiral building block for highly functionalized polycyclic ethers.","Organic & biomolecular chemistry","2014","12","39","7750","7757","10.1039/c4ob01439a","","","0.71073","MoKα","","0.1185","0.087","","","0.2557","0.2876","","","","","","1.067","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153969","8.2827","0.0003","8.325","0.0003","15.0662","0.0007","98.787","0.002","93.426","0.002","114.758","0.002","923.4","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C44 H38 N2 O8 -","2","1","","Gharpure, Santosh J.; Prasath, V.","Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.","Organic & biomolecular chemistry","2014","12","37","7397","7409","10.1039/c4ob01387e","","","0.71073","MoKα","","0.0546","0.0439","","","0.1041","0.1119","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153970","13.687","0.0005","8.3874","0.0003","17.8893","0.0006","90","","112.109","0.002","90","","1902.66","0.12","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Gharpure, Santosh J.; Prasath, V.","Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.","Organic & biomolecular chemistry","2014","12","37","7397","7409","10.1039/c4ob01387e","","","0.71073","MoKα","","0.0895","0.058","","","0.1486","0.1798","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153971","8.1294","0.0004","8.2212","0.0004","19.5982","0.001","87.31","0.002","87.214","0.002","82.233","0.002","1295.19","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N2 O5 S -","- C29 H26 N2 O5 S -","- C58 H52 N4 O10 S2 -","2","1","","Gharpure, Santosh J.; Prasath, V.","Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.","Organic & biomolecular chemistry","2014","12","37","7397","7409","10.1039/c4ob01387e","","","0.71073","MoKα","","0.0641","0.0423","","","0.1057","0.1182","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153972","7.44","0.005","10.513","0.007","13.472","0.009","83.084","0.017","86.07","0.02","86.796","0.018","1042.4","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O7 S -","- C22 H23 N O7 S -","- C44 H46 N2 O14 S2 -","2","1","","Gharpure, Santosh J.; Prasath, V.","Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.","Organic & biomolecular chemistry","2014","12","37","7397","7409","10.1039/c4ob01387e","","","0.71075","MoKα","","","0.0769","","","","0.1773","","","","","","1.239","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153973","6.2466","0.0004","6.8285","0.0006","16.0444","0.0015","90","","94.122","0.008","90","","682.6","0.1","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O5 -","- C12 H22 O5 -","- C24 H44 O10 -","2","1","","Ma, Xiaofeng; Tang, Qin; Ke, Jun; Zhang, Jichao; Yang, Xinglong; Shen, Xudong; Shao, Huawu","A neighboring group participation strategy: direct and highly diastereoselective synthesis of 2-substituted and 2,2-bisubstituted perhydrofuro[2,3-b]pyran derivatives.","Organic & biomolecular chemistry","2014","12","37","7381","7388","10.1039/c4ob00642a","","","0.7107","MoKα","","0.1057","0.0748","","","0.1934","0.2271","","","","","","1.064","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153974","6.7501","0.0005","17.4344","0.0013","19.5104","0.0014","90","","90","","90","","2296.1","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydroxy Pyrrolidine","","","- C21 H31 N O7 S -","- C21 H31 N O7 S -","- C84 H124 N4 O28 S4 -","4","1","","Tiwari, Dipak Kumar; Bharadwaj, Kishor Chandra; Puranik, Vedavati G.; Tiwari, Dharmendra Kumar","Divergent total synthesis of 1,6,8a-tri-epi-castanospermine and 1-deoxy-6,8a-di-epi-castanospermine from substituted azetidin-2-one (β-lactam), involving a cascade sequence of reactions as a key step.","Organic & biomolecular chemistry","2014","12","37","7389","7396","10.1039/c4ob00948g","","","0.71073","MoKα","","0.0739","0.0448","","","0.0997","0.111","","","","","","1.024","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153975","12.1519","0.0004","13.1631","0.0004","13.3186","0.0004","90","","99.585","0.001","90","","2100.66","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 N2 O3 P Ru -","- C20 H29 N2 O3 P Ru -","- C80 H116 N8 O12 P4 Ru4 -","4","1","","Profir, Irina; Beller, Matthias; Fleischer, Ivana","Novel ruthenium-catalyst for hydroesterification of olefins with formates.","Organic & biomolecular chemistry","2014","12","36","6972","6976","10.1039/c4ob01246a","","","0.71073","MoKα","","0.0195","0.0172","","","0.0439","0.0457","","","","","","1.057","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153976","7.9952","0.0015","6.8431","0.0013","12.251","0.002","90","","93.085","0.004","90","","669.3","0.2","120","2","120.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","2,6-dimethyl-4-(Bpin)-pyridine","","","- C13 H20 B N O2 -","- C13 H20 B N O2 -","- C26 H40 B2 N2 O4 -","2","0.5","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.062","0.0546","","","0.1382","0.1432","","","","","","1.077","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153977","6.5381","0.0004","21.3579","0.0012","9.4192","0.0005","90","","93.137","0.002","90","","1313.33","0.13","120","2","120.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2,3-Dichloro-5-(Bpin)-pyridine","","","- C11 H14 B Cl2 N O2 -","- C11 H14 B Cl2 N O2 -","- C44 H56 B4 Cl8 N4 O8 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0411","0.0313","","","0.0782","0.0826","","","","","","1.055","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153978","7.476","0.0006","20.8897","0.0014","23.5283","0.0017","90","","90","","90","","3674.4","0.5","120","2","120.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-methyl-4-phenyl-pyridine","","- C12 H11 N -","- C12 H11 N -","- C192 H176 N16 -","16","2","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0678","0.0391","","","0.0942","0.1069","","","","","","1.007","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153979","11.2252","0.0016","15.438","0.002","7.6917","0.0012","90","","107.874","0.004","90","","1268.6","0.3","120","2","120.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethyl-4-naphthalen-1-yl-pyridine","","- C17 H15 N -","- C17 H15 N -","- C68 H60 N4 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0885","0.0452","","","0.1063","0.1215","","","","","","0.905","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153980","20.849","0.004","6.6532","0.0012","15.874","0.003","90","","90","","90","","2201.9","0.7","120","2","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","4,4'-bis(Bpin)-2,2'-bipyridine","","- C22 H30 B2 N2 O4 -","- C22 H30 B2 N2 O4 -","- C88 H120 B8 N8 O16 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.1096","0.0693","","","0.1501","0.1724","","","","","","1.029","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153981","7.1352","0.0019","12.292","0.003","11.175","0.003","90","","94.168","0.004","90","","977.5","0.4","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-dimethy-5-thiophen-2-yl-pyrazine","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C40 H40 N8 S4 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0482","0.0372","","","0.1006","0.1076","","","","","","1.103","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153982","5.6994","0.0004","12.1727","0.0008","13.5102","0.0009","73.506","0.003","88.323","0.004","89.037","0.004","898.31","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N3 O6 -","- C16 H25 N3 O6 -","- C32 H50 N6 O12 -","2","1","","Wang, Shuo; Aston, Karl; Koeller, Kevin J.; Harris, G. Davis; Rath, Nigam P.; Bashkin, James K.; Wilson, W. David","Modulation of DNA-polyamide interaction by β-alanine substitutions: a study of positional effects on binding affinity, kinetics and thermodynamics.","Organic & biomolecular chemistry","2014","12","38","7523","7536","10.1039/c4ob01456a","","","0.71073","MoKα","","0.0511","0.0383","","","0.0957","0.1043","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153983","8.6327","0.0004","8.4467","0.0004","24.0094","0.0012","90","","95.597","0.003","90","","1742.37","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N3 O6 -","- C15 H25 N3 O6 -","- C60 H100 N12 O24 -","4","1","","Wang, Shuo; Aston, Karl; Koeller, Kevin J.; Harris, G. Davis; Rath, Nigam P.; Bashkin, James K.; Wilson, W. David","Modulation of DNA-polyamide interaction by β-alanine substitutions: a study of positional effects on binding affinity, kinetics and thermodynamics.","Organic & biomolecular chemistry","2014","12","38","7523","7536","10.1039/c4ob01456a","","","0.71073","MoKα","","0.055","0.0423","","","0.1087","0.1168","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153984","12.2285","0.0009","8.4147","0.0006","18.9773","0.0015","90","","104.836","0.004","90","","1887.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C68 H108 N12 O24 -","4","1","","Wang, Shuo; Aston, Karl; Koeller, Kevin J.; Harris, G. Davis; Rath, Nigam P.; Bashkin, James K.; Wilson, W. David","Modulation of DNA-polyamide interaction by β-alanine substitutions: a study of positional effects on binding affinity, kinetics and thermodynamics.","Organic & biomolecular chemistry","2014","12","38","7523","7536","10.1039/c4ob01456a","","","0.71073","MoKα","","0.0652","0.0391","","","0.0888","0.1018","","","","","","1.022","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153985","7.7003","0.0006","8.1539","0.0007","16.0222","0.0013","90","","91.409","0.003","90","","1005.69","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N O4 -","- C21 H31 N O4 -","- C42 H62 N2 O8 -","2","1","","Kong, Lili; Rao, Mingjin; Ou, Jinjie; Yin, Jun; Lu, Weiqiang; Liu, Mingyao; Pang, Xiufeng; Gao, Shuanhu","Total synthesis and biological studies of cryptocin and derivatives of equisetin and fusarisetin A.","Organic & biomolecular chemistry","2014","12","38","7591","7597","10.1039/c4ob01149j","","","0.71073","MoKα","","0.0637","0.0448","","","0.101","0.1113","","","","","","1.028","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153986","11.8362","0.0005","12.2518","0.0005","19.0137","0.0007","90","","90","","90","","2757.27","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 Cl3 N O5 -","- C26 H38 Cl3 N O5 -","- C104 H152 Cl12 N4 O20 -","4","1","","Kong, Lili; Rao, Mingjin; Ou, Jinjie; Yin, Jun; Lu, Weiqiang; Liu, Mingyao; Pang, Xiufeng; Gao, Shuanhu","Total synthesis and biological studies of cryptocin and derivatives of equisetin and fusarisetin A.","Organic & biomolecular chemistry","2014","12","38","7591","7597","10.1039/c4ob01149j","","","0.71073","MoKα","","0.1166","0.0955","","","0.2488","0.272","","","","","","1.073","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153987","6.8794","0.0005","14.9305","0.001","22.2706","0.0015","90","","90","","90","","2287.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O4 -","- C25 H37 N O4 -","- C100 H148 N4 O16 -","4","1","","Kong, Lili; Rao, Mingjin; Ou, Jinjie; Yin, Jun; Lu, Weiqiang; Liu, Mingyao; Pang, Xiufeng; Gao, Shuanhu","Total synthesis and biological studies of cryptocin and derivatives of equisetin and fusarisetin A.","Organic & biomolecular chemistry","2014","12","38","7591","7597","10.1039/c4ob01149j","","","0.71073","MoKα","","0.0713","0.0437","","","0.0867","0.0992","","","","","","1.027","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153988","14.4314","0.0017","8.8602","0.001","19.841","0.002","90","","100.647","0.002","90","","2493.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Br N3 O6 S2 -","- C24 H24 Br N3 O6 S2 -","- C96 H96 Br4 N12 O24 S8 -","4","1","","Zhou, Jing; Yeung, Ying-Yeung","Diastereoselective synthesis of functionalized pyrrolidines through N-bromosuccinimide-induced aziridine ring expansion cascade of cinnamylaziridine.","Organic & biomolecular chemistry","2014","12","38","7482","7485","10.1039/c4ob01384k","","","0.71073","MoKα","","0.1134","0.0653","","","0.1479","0.1682","","","","","","1.049","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153992","7.028","0.0011","12.5922","0.0019","14.037","0.002","90","","90","","90","","1242.2","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S,5R,6S,7R)-7-methyl-3-phenyl-4,5,6,7-tetrahydro-[1,2,3]triazolo [1,5-a]pyridine-4,5,6-triol","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C52 H60 N12 O12 -","4","1","","Putapatri, Siddamal Reddy; Kanwal, Abhinav; Sridhar, Balasubramanian; Banerjee, Sanjay K.; Kantevari, Srinivas","Synthesis of l-rhamnose derived chiral bicyclic triazoles as novel sodium-glucose transporter (SGLT) inhibitors.","Organic & biomolecular chemistry","2014","12","42","8415","8421","10.1039/c4ob01319k","","","0.71073","MoKα","","0.0286","0.0277","","","0.072","0.0727","","","","","","1.06","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153993","7.555","0.0005","11.987","0.0008","15.0918","0.0011","90","","90","","90","","1366.74","0.16","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S,5R,6S,7R)-7-methyl-3-p-tolyl-4,5,6,7-tetrahydro-[1,2,3]triazolo[1,5-a] pyridine-4,5,6-triol","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","1","","Putapatri, Siddamal Reddy; Kanwal, Abhinav; Sridhar, Balasubramanian; Banerjee, Sanjay K.; Kantevari, Srinivas","Synthesis of l-rhamnose derived chiral bicyclic triazoles as novel sodium-glucose transporter (SGLT) inhibitors.","Organic & biomolecular chemistry","2014","12","42","8415","8421","10.1039/c4ob01319k","","","0.71073","MoKα","","0.0291","0.0282","","","0.0717","0.0725","","","","","","1.083","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153994","8.8993","0.0006","22.5466","0.0014","8.191","0.0005","90","","108.827","0.003","90","","1555.58","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; Babu, K. Naresh; Sharique, Mohd; Biswas, Soumava; Bisai, Alakesh","Friedel-Crafts alkylations of electron-rich aromatics with 3-hydroxy-2-oxindoles: scope and limitations.","Organic & biomolecular chemistry","2014","12","41","8152","8173","10.1039/c4ob01264j","","","0.71073","MoKα","","0.0401","0.035","","","0.089","0.0931","","","","","","1.032","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153995","8.91","0.003","9.482","0.003","14.09","0.005","101.315","0.016","101.159","0.016","110.48","0.017","1048","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cl3 N O2 -","- C22 H18 Cl3 N O2 -","- C44 H36 Cl6 N2 O4 -","2","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; Babu, K. Naresh; Sharique, Mohd; Biswas, Soumava; Bisai, Alakesh","Friedel-Crafts alkylations of electron-rich aromatics with 3-hydroxy-2-oxindoles: scope and limitations.","Organic & biomolecular chemistry","2014","12","41","8152","8173","10.1039/c4ob01264j","","","0.71073","MoKα","","0.1051","0.0675","","","0.1197","0.1362","","","","","","1.162","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153996","15.1024","0.0009","14.8289","0.0008","11.8933","0.0007","90","","105.668","0.0017","90","","2564.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 N2 O5 -","- C27 H34 N2 O5 -","- C108 H136 N8 O20 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; Babu, K. Naresh; Sharique, Mohd; Biswas, Soumava; Bisai, Alakesh","Friedel-Crafts alkylations of electron-rich aromatics with 3-hydroxy-2-oxindoles: scope and limitations.","Organic & biomolecular chemistry","2014","12","41","8152","8173","10.1039/c4ob01264j","","","0.71073","MoKα","","0.0437","0.0388","","","0.1415","0.1477","","","","","","1.291","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153997","6.627","0.0003","7.9739","0.0003","32.9949","0.0014","90","","90","","90","","1743.55","0.13","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl N O4 -","- C19 H18 Cl N O4 -","- C76 H72 Cl4 N4 O16 -","4","1","","Takahashi, Masaki; Murata, Yusuke; Ishida, Masahiro; Yagishita, Fumitoshi; Sakamoto, Masami; Sengoku, Tetsuya; Yoda, Hidemi","Catalytic amide allylation of α-ketoesters: extremely high enantioselective synthesis of ester functionalised α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2014","12","39","7686","7689","10.1039/c4ob01508h","","","1.54178","CuKα","","0.0417","0.04","","","0.1097","0.1107","","","","","","1.026","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153998","8.9358","0.0018","9.326","0.002","12.002","0.003","106.67","0.003","101.817","0.004","93.1","0.004","931","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H13 Br Cl2 N2 O2 S -","- C17 H13 Br Cl2 N2 O2 S -","- C34 H26 Br2 Cl4 N4 O4 S2 -","2","1","","Liu, Xiaozu; Hu, Qinghong; Yuan, Zeli; Liu, Peijun","AcOH-mediated dichloroimination of indoles using chloramine-B: a facile access to 2,3-functionalized indolines.","Organic & biomolecular chemistry","2014","12","38","7494","7497","10.1039/c4ob01179a","","","0.71073","MoKα","","0.0941","0.077","","","0.226","0.2417","","","","","","1.045","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153999","6.255","0.0018","18.15","0.0012","16.43","0.0012","90","","96.804","0.003","90","","1852.1","0.6","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H14 F5 N O2 S2 -","- C12 H14 F5 N O2 S2 -","- C48 H56 F20 N4 O8 S8 -","4","2","","Xie, Chen; Wu, Lingmin; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Generalized access to fluorinated β-keto amino compounds through asymmetric additions of α,α-difluoroenolates to CF3-sulfinylimine.","Organic & biomolecular chemistry","2014","12","39","7836","7843","10.1039/c4ob01575d","","","0.71073","MoKα","","0.0593","0.0562","","","0.136","0.1362","","","","","","1.091","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7154000","8.3228","0.0008","8.8321","0.0009","10.8845","0.0011","86.924","0.003","69.716","0.002","76.474","0.003","729.33","0.13","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C38 H28 O6 -","2","1","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.061","0.0521","","","0.1588","0.1764","","","","","","1.096","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154001","9.5269","0.0006","10.7294","0.0007","17.4823","0.0013","90","","90","","90","","1787","0.2","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.0361","0.0322","","","0.0798","0.0832","","","","","","1.044","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154002","5.8687","0.0003","10.7289","0.0006","27.8199","0.0012","90","","95.947","0.003","90","","1742.24","0.15","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 I N O6 -","- C19 H14 I N O6 -","- C76 H56 I4 N4 O24 -","4","2","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.1246","0.1087","","","0.3129","0.329","","","","","","1.141","","","","has coordinates,has disorder","182989","2020-10-21","18:00:00",""
"7154003","8.2342","0.0002","37.9905","0.0008","10.4703","0.0002","90","","90.591","0.001","90","","3275.16","0.12","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 I O2 -","- C19 H15 I O2 -","- C152 H120 I8 O16 -","8","2","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.0342","0.0292","","","0.0863","0.1067","","","","","","1.321","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154004","13.1132","0.0016","7.6905","0.0009","28.214","0.004","90","","103.057","0.002","90","","2771.7","0.6","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C136 H96 O24 S8 -","8","2","","Akiyama, Hirotaka; Inoue, Takafumi; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Multiple optical properties of a naphthoquinone pigment: 2-methyl-3-(hydroxyphenylthio)-1,4-naphthalenedione.","Organic & biomolecular chemistry","2014","12","40","7965","7970","10.1039/c4ob01058b","","","0.71073","MoKα","","0.0706","0.0624","","","0.1785","0.1842","","","","","","1.107","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154005","10.9","0.003","5.5397","0.0012","11.358","0.003","90","","100.555","0.004","90","","674.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C34 H24 O6 S2 -","2","1","","Akiyama, Hirotaka; Inoue, Takafumi; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Multiple optical properties of a naphthoquinone pigment: 2-methyl-3-(hydroxyphenylthio)-1,4-naphthalenedione.","Organic & biomolecular chemistry","2014","12","40","7965","7970","10.1039/c4ob01058b","","","0.71075","MoKα","","0.0406","0.0392","","","0.0917","0.0924","","","","","","1.042","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154006","7.6999","0.0005","8.0494","0.0006","9.507","0.0007","104.034","0.006","112.572","0.005","100.066","0.006","503.71","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H11 I O3 -","- C9 H11 I O3 -","- C18 H22 I2 O6 -","2","1","","Matovic, R.; Bihelovic, F.; Gruden-Pavlovic, M; Saicic, R. N.","Total synthesis and biological evaluation of atrop-O-benzyl-desmethylabyssomicin C.","Organic & biomolecular chemistry","2014","12","39","7682","7685","10.1039/c4ob01436g","","","0.71073","MoKα","","0.0593","0.0501","","","0.1039","0.1076","","","","","","1.085","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154007","7.681","0.003","12.525","0.005","14.693","0.006","90","","90","","90","","1413.5","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","trans-Methyl-3-(phenylsulfonyl)-1-propylpyrrolidin-2-one","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C56 H76 N4 O12 S4 -","4","1","","Clarke, Leslie Ann; Ring, Aoife; Ford, Alan; Sinha, Abhijeet S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed C-H insertion reaction of 2-sulfonyl-2-diazoacetamides to form γ-lactams.","Organic & biomolecular chemistry","2014","12","38","7612","7628","10.1039/c4ob01430h","","","0.71073","MoKα","","0.0257","0.0244","","","0.0626","0.0634","","","","","","1.051","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154008","5.5457","0.0003","8.9659","0.0003","42.4254","0.0013","90","","90","","90","","2109.48","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N5 O5 -","- C23 H25 N5 O5 -","- C92 H100 N20 O20 -","4","1","","Kovaliov, Marina; Wachtel, Chaim; Yavin, Eylon; Fischer, Bilha","Synthesis and evaluation of a photoresponsive quencher for fluorescent hybridization probes.","Organic & biomolecular chemistry","2014","12","39","7844","7858","10.1039/c4ob01185f","","","0.71073","MoKα","","0.0472","0.0388","","","0.0982","0.1028","","","","","","1.046","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154009","9.6111","0.0014","9.9681","0.0014","13.23","0.0018","95.407","0.003","100.437","0.003","109.697","0.003","1157","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Br N2 O5 -","- C24 H25 Br N2 O5 -","- C48 H50 Br2 N4 O10 -","2","1","","Zhao, Xuan; Li, Tian-Ze; Qian, Jing-Ying; Sha, Feng; Wu, Xin-Yan","Enantioselective aza-Morita-Baylis-Hillman reaction between acrylates and N-Boc isatin ketimines: asymmetric construction of chiral 3-substituted-3-aminooxindoles.","Organic & biomolecular chemistry","2014","12","40","8072","8078","10.1039/c4ob01358a","","","0.71073","MoKα","","0.0599","0.047","","","0.1324","0.1425","","","","","","1","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154010","9.3185","0.0002","11.847","0.0002","13.2263","0.0003","94.2169","0.0009","90.9044","0.0009","109.43","0.0011","1372","0.05","150","","150","","","","","","","","syn","5","P -1","-P 1","2","","","","- C30 H22 Cl3 N3 O4 -","- C30 H22 Cl3 N3 O4 -","- C60 H44 Cl6 N6 O8 -","2","1","","Knipe, Peter C.; Lingard, Hannah; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","A Lewis acid-mediated conformational switch.","Organic & biomolecular chemistry","2014","12","40","7937","7941","10.1039/c4ob01556h","","","0.71073","MoKα","","0.084","0.0693","","0.1303","0.1173","0.1303","","","","","","1.0492","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7154011","7.2029","0.0007","9.499","0.0009","19.3231","0.0019","81.188","0.001","84.179","0.002","79.417","0.002","1280.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H8 B F2 N3 O -","- C15 H8 B F2 N3 O -","- C60 H32 B4 F8 N12 O4 -","4","2","","Liu, Hui; Lu, Hua; Wu, Fan; Li, Zhifang; Kobayashi, Nagao; Shen, Zhen","Synthesis and spectroscopic properties of novel meso-cyano boron-pyridyl-isoindoline dyes.","Organic & biomolecular chemistry","2014","12","41","8223","8229","10.1039/c4ob01077a","","","0.71073","MoKα","","0.0556","0.0407","","","0.1318","0.1595","","","","","","1.115","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154012","6.4067","0.0006","7.2419","0.0007","32.409","0.003","90","","90","","90","","1503.7","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H10 B F2 N3 O -","- C19 H10 B F2 N3 O -","- C76 H40 B4 F8 N12 O4 -","4","1","","Liu, Hui; Lu, Hua; Wu, Fan; Li, Zhifang; Kobayashi, Nagao; Shen, Zhen","Synthesis and spectroscopic properties of novel meso-cyano boron-pyridyl-isoindoline dyes.","Organic & biomolecular chemistry","2014","12","41","8223","8229","10.1039/c4ob01077a","","","0.71073","MoKα","","0.0274","0.0264","","","0.0653","0.0659","","","","","","1.069","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154013","12.371","0.004","7.489","0.002","15.557","0.005","90","","112.019","0.009","90","","1336.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","","Mal, Dipakranjan; Roy, Joyeeta; Biradha, Kumar","Regiodivergent and short total synthesis of calothrixins.","Organic & biomolecular chemistry","2014","12","41","8196","8203","10.1039/c4ob01309c","","","0.71073","MoKα","","0.1552","0.054","","","0.1326","0.1728","","","","","","0.827","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154014","9.198","0.0003","13.3225","0.0003","10.6301","0.0003","90","","100.318","0.003","90","","1281.55","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[(1-methylcyclohex-1-en-4-yl)-methyloxy]-4-methylthiazole-2(3H)-thione","","- C12 H17 N O S2 -","- C12 H17 N O S2 -","- C48 H68 N4 O4 S8 -","4","1","","Schur, Christine; Kelm, Harald; Gottwald, Thomas; Ludwig, Arne; Kneuer, Rainer; Hartung, Jens","Annulated and bridged tetrahydrofurans from alkenoxyl radical cyclization.","Organic & biomolecular chemistry","2014","12","41","8288","8307","10.1039/c4ob01266f","","x-ray","0.71073","MoKα","","0.0547","0.0373","","","0.0812","0.0891","","","","","","1.009","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154015","9.5179","0.0016","16.883","0.003","9.7407","0.0017","90","","104.744","0.01","90","","1513.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RAUL006","","","- C18 H21 N O -","- C17.975 H20.975 N O -","- C71.9 H83.9 N4 O4 -","4","1","","Pérez-Ruiz, Raúl; Sáez, Jose A; Jiménez, M Consuelo; Miranda, Miguel A.","Cycloreversion of β-lactams via photoinduced electron transfer.","Organic & biomolecular chemistry","2014","12","42","8428","8432","10.1039/c4ob01416b","","x-ray","0.71073","MoKα","","0.2028","0.156","","","0.3367","0.3598","","","","","","1.158","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154016","5.546","0.003","20.507","0.006","8.248","0.003","90","","100.72","0.03","90","","921.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RAUL007","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Pérez-Ruiz, Raúl; Sáez, Jose A; Jiménez, M Consuelo; Miranda, Miguel A.","Cycloreversion of β-lactams via photoinduced electron transfer.","Organic & biomolecular chemistry","2014","12","42","8428","8432","10.1039/c4ob01416b","","x-ray","0.71073","MoKα","","0.1306","0.083","","","0.2147","0.2534","","","","","","0.989","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154017","11.1583","0.0018","28.871","0.005","14.242","0.003","90","","94.651","0.003","90","","4573","1.4","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H49 Cl3 N2 O2 -","- C51 H49 Cl3 N2 O2 -","- C204 H196 Cl12 N8 O8 -","4","1","","Katoono, Ryo; Kusaka, Keiichi; Kawai, Shunsuke; Tanaka, Yuki; Hanada, Keisuke; Nehira, Tatsuo; Fujiwara, Kenshu; Suzuki, Takanori","Chiroptical molecular propellers based on hexakis(phenylethynyl)benzene through the complexation-induced intramolecular transmission of local point chirality.","Organic & biomolecular chemistry","2014","12","47","9532","9538","10.1039/c4ob01601g","","","0.71075","MoKα","","","0.1139","","","","0.3462","","","","","","1.341","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154018","15.1038","0.0016","15.2027","0.0016","17.797","0.002","89.71","0.004","81.484","0.003","86.143","0.004","4032.3","0.8","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C102 H74 N6 O7 -","- C102 H72 N6 O7 -","- C204 H144 N12 O14 -","2","1","","Katoono, Ryo; Kusaka, Keiichi; Kawai, Shunsuke; Tanaka, Yuki; Hanada, Keisuke; Nehira, Tatsuo; Fujiwara, Kenshu; Suzuki, Takanori","Chiroptical molecular propellers based on hexakis(phenylethynyl)benzene through the complexation-induced intramolecular transmission of local point chirality.","Organic & biomolecular chemistry","2014","12","47","9532","9538","10.1039/c4ob01601g","","","0.71075","MoKα","","","0.1147","","","","0.3124","","","","","","2.054","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154019","12.291","0.002","17.31","0.003","11.563","0.002","90","","95.536","0.005","90","","2448.6","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 O4 -","- C64 H58 O4 -","- C128 H116 O8 -","2","0.5","","Vanga, Devendar Goud; Santra, Mithun; Keerthi, Ashok; Valiyaveettil, Suresh","Synthesis and photophysical properties of pyrene-based green fluorescent dyes: butterfly-shaped architectures.","Organic & biomolecular chemistry","2014","12","40","7914","7918","10.1039/c4ob01509f","","","0.71073","MoKα","","0.1044","0.0775","","","0.1815","0.1964","","","","","","1.029","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154020","9.8987","0.0008","24.374","0.002","10.0794","0.0009","90","","105.82","0.002","90","","2339.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 F4 I O3 S -","- C23 H21 F4 I O3 S -","- C92 H84 F16 I4 O12 S4 -","4","1","","Li, Jian; Wang, Hongni; Sun, Jiangtao; Yang, Yang; Liu, Li","Synthesis of phenanthridine derivatives via cascade annulation of diaryliodonium salts and nitriles.","Organic & biomolecular chemistry","2014","12","40","7904","7908","10.1039/c4ob01504e","","","0.71073","MoKα","","0.0586","0.0398","","","0.1048","0.1419","","","","","","1.137","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154022","9.7645","0.0009","7.469","0.0007","11.4907","0.0011","90","","95.351","0.002","90","","834.38","0.14","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N O5 S -","- C17 H17 N O5 S -","- C34 H34 N2 O10 S2 -","2","1","","Ge, Li-Shi; Wang, Zheng-Lin; An, Xing-Lan; Luo, Xiaoyan; Deng, Wei-Ping","Direct synthesis of polysubstituted 2-aminothiophenes by Cu(ii)-catalyzed addition/oxidative cyclization of alkynoates with thioamides.","Organic & biomolecular chemistry","2014","12","42","8473","8479","10.1039/c4ob01534g","","","0.71073","MoKα","","0.0362","0.0333","","","0.0841","0.0866","","","","","","1.022","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154023","19.5996","0.0002","20.3256","0.0003","20.7522","0.0002","90","","91.354","0.001","90","","8264.82","0.17","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H51 B F4 Ir N2 P -","- C47 H51 B F4 Ir N2 P -","- C376 H408 B8 F32 Ir8 N16 P8 -","8","2","","Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc","Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.","Organic & biomolecular chemistry","2014","12","40","7927","7931","10.1039/c4ob01570c","","","0.71073","MoKα","","0.0633","0.0323","","","0.0578","0.07","","","","","","1.036","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154024","17.2768","0.0004","17.2947","0.0003","17.8826","0.0004","109.21","0.002","106.118","0.002","109.13","0.002","4299.3","0.2","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H51 F3 Ir N2 O3 P S -","- C48 H51 F3 Ir N2 O3 P S -","- C192 H204 F12 Ir4 N8 O12 P4 S4 -","4","2","","Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc","Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.","Organic & biomolecular chemistry","2014","12","40","7927","7931","10.1039/c4ob01570c","","","0.71073","MoKα","","0.0405","0.0293","","","0.0653","0.0714","","","","","","1.032","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154025","12.516","0.0003","14.3186","0.0004","20.8639","0.0005","84.989","0.002","77.642","0.002","84.507","0.002","3627.04","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H63 B F24 Ir N2 P -","- C79 H63 B F24 Ir N2 P -","- C158 H126 B2 F48 Ir2 N4 P2 -","2","1","","Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc","Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.","Organic & biomolecular chemistry","2014","12","40","7927","7931","10.1039/c4ob01570c","","","0.71073","MoKα","","0.0707","0.0472","","","0.1085","0.1165","","","","","","0.977","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154026","20.4198","0.0005","11.9065","0.0002","23.6916","0.0005","90","","114.629","0.003","90","","5236.1","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H37 B F24 N2 -","- C53 H37 B F24 N2 -","- C212 H148 B4 F96 N8 -","4","1","","Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc","Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.","Organic & biomolecular chemistry","2014","12","40","7927","7931","10.1039/c4ob01570c","","","1.5418","CuKα","","0.0707","0.0598","","","0.1595","0.1708","","","","","","1.055","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154027","10.054","0.0015","16.853","0.002","23.794","0.003","90","","90","","90","","4031.7","0.9","263","","263","","","","","","","","Chemical Synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H60 O16 -","- C43 H60 O16 -","- C172 H240 O64 -","4","1","","Ding, Chunyong; Wang, Lili; Chen, Haijun; Wild, Christopher; Ye, Na; Ding, Ye; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","ent-Kaurane-based regio- and stereoselective inverse electron demand hetero-Diels-Alder reactions: synthesis of dihydropyran-fused diterpenoids.","Organic & biomolecular chemistry","2014","12","42","8442","8452","10.1039/c4ob01040j","","","1.5418","CuKα","","0.0337","0.0334","","0.0922","0.0918","0.0922","","","","","","1.0046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154028","9.4979","0.0008","13.0601","0.001","21.0823","0.0016","90","","90","","90","","2615.1","0.4","263","","263","","","","","","","","Chemical Synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Cl O7 -","- C28 H37 Cl O7 -","- C112 H148 Cl4 O28 -","4","1","","Ding, Chunyong; Wang, Lili; Chen, Haijun; Wild, Christopher; Ye, Na; Ding, Ye; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","ent-Kaurane-based regio- and stereoselective inverse electron demand hetero-Diels-Alder reactions: synthesis of dihydropyran-fused diterpenoids.","Organic & biomolecular chemistry","2014","12","42","8442","8452","10.1039/c4ob01040j","","","1.5418","CuKα","","0.045","0.0428","","0.1271","0.1245","0.1271","","","","","","0.9531","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154029","5.7933","0.0006","15.9715","0.0017","18.559","0.002","90","","90","","90","","1717.2","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 F3 N2 O2 S -","- C15 H19 F3 N2 O2 S -","- C60 H76 F12 N8 O8 S4 -","4","1","","Qian, Ping; Xie, Chen; Wu, Lingmin; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Asymmetric synthesis of (3S,1'S)-3-(1-amino-2,2,2-trifluoroethyl)-1-(alkyl)-indolin-2-one derivatives by addition of (S)-N-t-butylsulfinyl-3,3,3-trifluoroacetaldimine to 1-(alkyl)-indolin-2-ones.","Organic & biomolecular chemistry","2014","12","40","7909","7913","10.1039/c4ob01453g","","","0.71073","MoKα","","0.0772","0.0405","","","0.0965","0.1172","","","","","","0.962","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7154030","26.6311","0.0009","26.6311","0.0009","15.8084","0.001","90","","90","","90","","11211.6","0.9","130","0.1","130","0.1","","","","","","","","4","I 4","I 4","79","","","","- C26 H27.5 N6.5 O7 -","- C23 H23 N5 O7 -","- C368 H368 N80 O112 -","16","2","","Gamon, L. F.; White, J. M.; Wille, U.","Oxidative damage of aromatic dipeptides by the environmental oxidants NO2˙ and O3.","Organic & biomolecular chemistry","2014","12","41","8280","8287","10.1039/c4ob01577k","","","1.5418","CuKα","","0.1418","0.0855","","","0.1897","0.2326","","","","","","0.895","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154031","9.6136","0.0009","15.2925","0.0012","17.8493","0.0015","94.364","0.004","105.608","0.004","90.128","0.004","2519.3","0.4","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C18 H11 N O -","- C18 H11 N O -","- C144 H88 N8 O8 -","8","4","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.1755","0.1065","","","0.2702","0.2987","","","","","","1.077","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154032","11.6541","0.001","7.3177","0.0006","33.887","0.003","90","","90","","90","","2889.9","0.4","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C19 H10 F3 N O -","- C19 H10 F3 N O -","- C152 H80 F24 N8 O8 -","8","1","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.1727","0.0618","","","0.123","0.166","","","","","","0.949","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154033","7.4383","0.001","12.2361","0.0017","27.524","0.003","90","","96.983","0.005","90","","2486.5","0.6","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H22 N2 O2 -","- C36 H22 N2 O2 -","- C144 H88 N8 O8 -","4","1","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.124","0.0587","","","0.1292","0.1588","","","","","","0.995","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154034","15.9675","0.0006","4.9591","0.0002","16.0534","0.0009","90","","95.093","0.002","90","","1266.16","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N O -","- C18 H11 N O -","- C72 H44 N4 O4 -","4","1","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.0799","0.0527","","","0.1091","0.122","","","","","","1.033","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154035","7.3551","0.0015","19.227","0.004","8.7515","0.0018","90","","110.65","0.03","90","","1158.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","","He, Haitao; Qi, Chaorong; Ou, Yanglu; Xiong, Wenfang; Hu, Xiaohan; Ren, Yanwei; Jiang, Huanfeng","Base-promoted annulation of α-hydroxy ketones and dimethyl but-2-ynedioate: straightforward access to pyrano[4,3-a]quinolizine-1,4,6(2H)-triones and 2H-pyran-2,5(6H)-diones.","Organic & biomolecular chemistry","2014","12","41","8128","8131","10.1039/c4ob01858c","","","0.71073","MoKα","","0.0616","0.0456","","","0.1347","0.1496","","","","","","1.077","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154036","12.295","0.003","7.7566","0.0016","33.943","0.008","90","","90","","90","","3237.1","1.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C168 H136 N8 O24 -","8","1","","Rathore, Kuldeep Singh; Harode, Mandeep; Katukojvala, Sreenivas","Regioselective π-extension of indoles with rhodium enalcarbenoids - synthesis of substituted carbazoles.","Organic & biomolecular chemistry","2014","12","43","8641","8645","10.1039/c4ob01693a","","","0.71073","MoKα","","0.1491","0.0572","","","0.1013","0.1216","","","","","","0.948","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7154037","32.374","0.008","5.404","0.0012","16.122","0.004","90","","114.805","0.009","90","","2560.3","1.1","261","2","261","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Rathore, Kuldeep Singh; Harode, Mandeep; Katukojvala, Sreenivas","Regioselective π-extension of indoles with rhodium enalcarbenoids - synthesis of substituted carbazoles.","Organic & biomolecular chemistry","2014","12","43","8641","8645","10.1039/c4ob01693a","","","0.71073","MoKα","","0.2715","0.0792","","","0.13","0.1825","","","","","","0.951","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7154038","18.491","0.002","5.2471","0.0005","22.346","0.003","90","","90.654","0.004","90","","2168","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C112 H92 N4 O12 -","4","1","","Rathore, Kuldeep Singh; Harode, Mandeep; Katukojvala, Sreenivas","Regioselective π-extension of indoles with rhodium enalcarbenoids - synthesis of substituted carbazoles.","Organic & biomolecular chemistry","2014","12","43","8641","8645","10.1039/c4ob01693a","","","0.71073","MoKα","","0.1708","0.055","","","0.1196","0.1541","","","","","","0.986","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7154039","7.804","0.0016","13.07","0.003","8.448","0.0017","90","","108.64","0.03","90","","816.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-1-methylindolin-2-one","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","","Chen, Jinsen; Song, Chao; Chen, Pei; Zhu, Jin","An intermolecular C-H functionalization method for the synthesis of 3-hydroxy-2-oxindoles.","Organic & biomolecular chemistry","2014","12","42","8390","8393","10.1039/c4ob01643b","","","0.71073","MoKα","","0.0825","0.057","","","0.1547","0.1705","","","","","","1.004","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154065","8.937","0.0011","5.0321","0.0002","13.3138","0.0012","90","0.005","96.958","0.008","90","0.006","594.34","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Br2 O4 -","- C10 H10 Br2 O4 -","- C20 H20 Br4 O8 -","2","0.5","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.0623","0.0357","","","0.0568","0.0641","","","","","","1.091","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154066","4.8906","0.0009","9.361","0.002","9.693","0.004","104.639","0.019","101.792","0.002","100.598","0.002","407.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O4 S2 -","- C18 H16 O4 S2 -","- C18 H16 O4 S2 -","1","0.5","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.1656","0.0588","","","0.1092","0.1304","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154067","7.6923","0.0007","46.482","0.006","9.9383","0.0017","90","","112.199","0.011","90","","3290.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H32 O8 S4 -","- C36 H32 O8 S4 -","- C144 H128 O32 S16 -","4","1","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.0978","0.0589","","","0.1564","0.1712","","","","","","1.04","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154068","20.4414","0.0019","6.6136","0.0009","17.1675","0.0011","90","","111.534","0.006","90","","2158.9","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 O8 S2 -","- C22 H20 O8 S2 -","- C88 H80 O32 S8 -","4","0.5","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.0688","0.0494","","","0.1259","0.1426","","","","","","1.051","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154069","9.7823","0.0013","14.5562","0.0006","15.4932","0.0016","90","","98.14","0.11","90","","2183.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O8 S2 -","- C22 H20 O8 S2 -","- C88 H80 O32 S8 -","4","1","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.1672","0.0686","","","0.1765","0.2166","","","","","","1.038","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154070","6.878","","17.926","","24.286","","90","","92.51","","90","","2991.47","","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cu N2 O6 S2 -","- C32 H32 Cu N2 O6 S2 -","- C128 H128 Cu4 N8 O24 S8 -","4","1","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.1241","0.0599","","","0.1169","0.1312","","","","","","1.042","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154071","15.263","0.003","28.289","0.005","7.5628","0.0013","90","","93.171","0.01","90","","3260.4","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 N2 O4 -","- C42 H38 N2 O4 -","- C168 H152 N8 O16 -","4","1","","Wu, Di; Ge, Haojie; Chen, Zhao; Liang, Jinhua; Huang, Jie; Zhang, Yufeng; Chen, Xiaoqiang; Meng, Xianggao; Liu, Sheng Hua; Yin, Jun","Imides modified benzopicenes: synthesis, solid structure and optoelectronic properties.","Organic & biomolecular chemistry","2014","12","44","8902","8910","10.1039/c4ob01486c","","","1.54178","CuKα","","0.127","0.1105","","","0.301","0.321","","","","","","1.412","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154072","12.7675","0.0002","31.0308","0.0005","7.5593","0.0001","90","","93.996","0.001","90","","2987.61","0.08","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 N2 O5 -","- C39 H32 N2 O5 -","- C156 H128 N8 O20 -","4","1","","Wu, Di; Ge, Haojie; Chen, Zhao; Liang, Jinhua; Huang, Jie; Zhang, Yufeng; Chen, Xiaoqiang; Meng, Xianggao; Liu, Sheng Hua; Yin, Jun","Imides modified benzopicenes: synthesis, solid structure and optoelectronic properties.","Organic & biomolecular chemistry","2014","12","44","8902","8910","10.1039/c4ob01486c","","","1.54178","CuKα","","0.065","0.0625","","","0.1466","0.1483","","","","","","1.115","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154073","8.671","0.003","15.948","0.006","15.692","0.006","90","","94.15","0.007","90","","2164.3","1.4","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22.5 H21 Br Cl N2 O2 P -","- C22.5 H21 Br Cl N2 O2 P -","- C90 H84 Br4 Cl4 N8 O8 P4 -","4","2","","Kong, Ling-Pei; Li, Nai-Kai; Zhang, Shao-Yun; Chen, Xiang; Zhao, Min; Zhang, Ya-Fei; Wang, Xing-Wang","Highly enantioselective phosphination and hydrophosphonylation of azomethine imines: using chiral squaramide as a hydrogen bonding organocatalyst.","Organic & biomolecular chemistry","2014","12","43","8656","8670","10.1039/c4ob01472c","","","0.71073","MoKα","","0.0812","0.0655","","","0.1762","0.1936","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154074","11.2169","0.0009","15.8678","0.0013","6.8648","0.0006","90","","107.601","0.003","90","","1164.65","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H5 F3 N2 O4 -","- C11 H5 F3 N2 O4 -","- C44 H20 F12 N8 O16 -","4","1","","Zhang, Li; Zeng, Qin; Mao, Ao; Wu, Ziang; Luo, Tian; Xiao, Yuanjing; Zhang, Junliang","NIS-mediated oxidative cyclization of N-(2-trifluoromethyl-3-alkynyl) hydroxylamines: a facile access to 4-trifluoromethyl-5-acylisoxazoles.","Organic & biomolecular chemistry","2014","12","44","8942","8946","10.1039/c4ob01790k","","","0.71073","MoKα","","0.09","0.0519","","","0.1193","0.1429","","","","","","1.027","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154075","5.3932","0.0008","7.7138","0.0011","49.332","0.007","90","","90","","90","","2052.3","0.5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H37 Cl N O4 -","- C18 H37 Cl N O4 -","- C72 H148 Cl4 N4 O16 -","4","1","","Désiré, J; Mondon, M.; Fontelle, N.; Nakagawa, S.; Hirokami, Y.; Adachi, I.; Iwaki, R.; Fleet, G. W. J.; Alonzi, D. S.; Twigg, G.; Butters, T. D.; Bertrand, J.; Cendret, V.; Becq, F.; Norez, C.; Marrot, J.; Kato, A.; Blériot, Y","N- and C-alkylation of seven-membered iminosugars generates potent glucocerebrosidase inhibitors and F508del-CFTR correctors.","Organic & biomolecular chemistry","2014","12","44","8977","8996","10.1039/c4ob00325j","","","0.71073","MoKα","","0.123","0.1146","","","0.3128","0.3183","","","","","","1.081","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154076","13.861","0.003","9.623","0.002","17.3","0.03","90","","128.57","0.05","90","","1804","3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Challa, Chandrasekhar; Vellekkatt, Jamsheena; Ravindran, Jaice; Lankalapalli, Ravi S.","A metal-free one-pot cascade synthesis of highly functionalized biaryl-2-carbaldehydes.","Organic & biomolecular chemistry","2014","12","43","8588","8592","10.1039/c4ob01829j","","","0.71073","MoKα","","0.1493","0.0708","","","0.159","0.2013","","","","","","0.759","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154077","9.0217","0.0007","13.8727","0.0015","15.2216","0.0013","90","","90","","90","","1905.1","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3S,3aR,4S)-ethyl 4-(benzyloxy)-2-((E)-carbamoyldiazenyl)-2-methylhexahydropyrrolo[1,2-b]isoxazole-3-carboxylate","","- C18 H24 N4 O5 -","- C18 H24 N4 O5 -","- C72 H96 N16 O20 -","4","1","","Majer, Roberta; Konechnaya, Olga; Delso, Ignacio; Tejero, Tomas; Attanasi, Orazio A.; Santeusanio, Stefania; Merino, Pedro","Highly diastereoselective 1,3-dipolar cycloadditions of chiral non-racemic nitrones to 1,2-diaza-1,3-dienes: an experimental and computational investigation.","Organic & biomolecular chemistry","2014","12","44","8888","8901","10.1039/c4ob01371a","","","0.71073","MoKα","","0.136","0.073","","","0.0936","0.1185","","","","","","0.966","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154078","11.9298","0.0003","5.8381","0.0002","13.6572","0.0003","90","","94.667","0.002","90","","948.03","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O6 -","- C20 H20 N2 O6 -","- C40 H40 N4 O12 -","2","1","","Cheng, Shuanghua; Yu, Shouyun","Enantioselective synthesis of 3-substituted 1,2-oxazinanes via organocatalytic intramolecular aza-Michael addition.","Organic & biomolecular chemistry","2014","12","43","8607","8610","10.1039/c4ob01646g","","","1.54178","CuKα","","0.0701","0.0649","","","0.1697","0.1772","","","","","","1.071","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154079","7.5625","0.0006","8.5844","0.0006","14.9024","0.0015","105.447","0.004","98.731","0.005","99.813","0.004","898.84","0.13","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 Si -","- C21 H24 Si -","- C42 H48 Si2 -","2","1","","Tamke, Sergej; Daniliuc, Constantin-G; Paradies, Jan","Frustrated Lewis pair catalyzed hydrosilylation and hydrosilane mediated hydrogenation of fulvenes.","Organic & biomolecular chemistry","2014","12","45","9139","9144","10.1039/c4ob01346h","","","1.54178","CuKα","","0.0626","0.0568","","","0.1526","0.1581","","","","","","1.063","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154080","8.9295","0.0007","13.0992","0.0013","19.384","0.002","90","","90","","90","","2267.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O3 -","- C28 H27 N O3 -","- C112 H108 N4 O12 -","4","1","","Ariyarathna, Yamuna; Tunge, Jon A.","Decarboxylative allylations of ester enolate equivalents.","Organic & biomolecular chemistry","2014","12","42","8386","8389","10.1039/c4ob01752h","","","1.54178","CuKα","","0.0765","0.0579","","","0.1421","0.1542","","","","","","1.057","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154081","8.8916","0.0003","34.6623","0.0015","8.5392","0.0003","90","","96.831","0.002","90","","2613.13","0.17","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 N O5 -","- C29 H37 N O5 -","- C116 H148 N4 O20 -","4","1","","Muthusamy, Sengodagounder; Karikalan, Thangaraju","Rhodium(ii) catalyzed synthesis of macrocycles incorporating oxindole via O-H/N-H insertion reactions.","Organic & biomolecular chemistry","2014","12","45","9243","9256","10.1039/c4ob01671h","","","0.71073","MoKα","","0.1308","0.0848","","","","0.28","","","","","","1.6651","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154082","7.9479","0.0002","9.0065","0.0002","14.445","0.0003","75.8","0.001","77.803","0.001","72.644","0.001","946.06","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","macrocycle","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","1","","Muthusamy, Sengodagounder; Karikalan, Thangaraju","Rhodium(ii) catalyzed synthesis of macrocycles incorporating oxindole via O-H/N-H insertion reactions.","Organic & biomolecular chemistry","2014","12","45","9243","9256","10.1039/c4ob01671h","","","0.71073","MoKα","","0.0843","0.0528","","","0.1785","0.2239","","","","","","0.844","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154083","4.433","0.006","13.761","0.01","10.298","0.01","90","","92.05","0.12","90","","627.8","1.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H17 Cl O2 -","- C14 H15 Cl O2 -","- C28 H30 Cl2 O4 -","2","2","","Chanda, Tanmoy; Chowdhury, Sushobhan; Koley, Suvajit; Anand, Namrata; Singh, Maya Shankar","Lewis acid promoted construction of chromen-4-one and isoflavone scaffolds via regio- and chemoselective domino Friedel-Crafts acylation/Allan-Robinson reaction.","Organic & biomolecular chemistry","2014","12","45","9216","9222","10.1039/c4ob01743a","","","0.71073","MoKα","","0.0657","0.0459","","","0.1124","0.1344","","","","","","0.982","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154084","14.234","0.004","4.0143","0.001","22.047","0.005","90","","90","","90","","1259.8","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H13 Cl O3 -","- C14 H13 Cl O3 -","- C56 H52 Cl4 O12 -","4","1","","Chanda, Tanmoy; Chowdhury, Sushobhan; Koley, Suvajit; Anand, Namrata; Singh, Maya Shankar","Lewis acid promoted construction of chromen-4-one and isoflavone scaffolds via regio- and chemoselective domino Friedel-Crafts acylation/Allan-Robinson reaction.","Organic & biomolecular chemistry","2014","12","45","9216","9222","10.1039/c4ob01743a","","","0.71073","MoKα","","0.1896","0.0958","","","0.2314","0.3824","","","","","","1.13","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154085","8.7007","0.0012","15.1805","0.0019","8.686","0.001","90","","104.082","0.004","90","","1112.8","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","wx-4","4p","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","","Yin, Yong; Wu, Xun; Han, Hong-Wei; Sha, Shao; Wang, She-Feng; Qiao, Fang; Lu, Ai-Min; Lv, Peng-Cheng; Zhu, Hai-Liang","Discovery and synthesis of a novel series of potent, selective inhibitors of the PI3Kα: 2-alkyl-chromeno[4,3-c]pyrazol-4(2H)-one derivatives.","Organic & biomolecular chemistry","2014","12","45","9157","9165","10.1039/c4ob01589d","","","0.71073","MoKα","","0.0639","0.0446","","","0.1102","0.1239","","","","","","1.05","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7154086","8.2975","0.0016","11.26","0.002","21.17","0.004","90","","90","","90","","1977.9","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 F N2 O2 -","- C25 H23 F N2 O2 -","- C100 H92 F4 N8 O8 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.0508","0.0407","","","0.0787","0.0819","","","","","","1.004","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154087","9.38","0.007","16.703","0.012","16.766","0.012","90","","90","","90","","2627","3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl2 F N3 Ni O3 -","- C28 H26 Cl2 F N3 Ni O3 -","- C112 H104 Cl8 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1947","0.0879","","","0.1596","0.2024","","","","","","0.868","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154088","9.1183","0.0019","14.255","0.003","23.374","0.005","90","","90","","90","","3038.2","1.1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl4 F N3 Ni O3 -","- C28 H26 F N3 Ni O3 -","- C112 H104 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1159","0.0716","","","0.1515","0.1645","","","","","","0.869","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154089","9.054","0.003","14.587","0.004","12.85","0.004","90","","101.348","0.006","90","","1663.9","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H40 F N3 Ni O5 -","- C36 H40 F N3 Ni O5 -","- C72 H80 F2 N6 Ni2 O10 -","2","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.094","0.0602","","","0.0964","0.1082","","","","","","0.877","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154090","9.165","0.01","13.957","0.014","23.73","0.03","90","","90","","90","","3035","6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 F N3 Ni O3 -","- C35 H38 F N3 Ni O3 -","- C140 H152 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1468","0.0841","","","0.1441","0.1662","","","","","","0.871","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154091","11.823","0.0015","25.123","0.003","9.6587","0.0013","90","","90","","90","","2868.9","0.6","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C33 H34 F N3 Ni O3 -","- C33 H34 F N3 Ni O3 -","- C132 H136 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1033","0.0584","","","0.0728","0.0836","","","","","","0.779","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154092","11.4718","0.0005","12.9514","0.0005","15.8446","0.0008","90","","90","","90","","2354.13","0.18","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0408","0.0353","","","0.0824","0.0873","","","","","","1.062","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154093","10.4301","0.0003","11.8072","0.0003","18.744","0.0005","90","","90","","90","","2308.33","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 N O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0328","0.0315","","","0.0798","0.081","","","","","","1.065","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154094","6.3498","0.0003","19.5019","0.0008","9.5651","0.0005","90","","102.297","0.004","90","","1157.3","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H38 N0 O7 -","- C26 H38 O7 -","- C52 H76 O14 -","2","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0329","0.031","","","0.0764","0.0783","","","","","","1.057","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154095","8.9982","0.0004","12.36","0.0007","13.3864","0.0008","90","","98.572","0.005","90","","1472.17","0.14","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H40 O12.2 -","- C28 H40 O12.2 -","- C56 H80 O24.4 -","2","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0826","0.0699","","","0.2008","0.2219","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154096","22.4413","0.0009","10.7973","0.0006","18.1182","0.0009","90","","102.275","0.005","90","","4289.8","0.4","100","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H56 N4 O5 -","- C51 H56 N4 O5 -","- C204 H224 N16 O20 -","4","0.5","","Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.","Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.","Organic & biomolecular chemistry","2014","12","44","8861","8865","10.1039/c4ob01644k","","","0.71073","MoKα","","0.0587","0.0461","","","0.1032","0.1125","","","","","","1.074","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154097","8.7602","0.0004","10.7729","0.0007","12.2413","0.0007","65.145","0.006","88.691","0.004","83.815","0.004","1041.82","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C48 H48 N4 O4 -","2","1","","Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.","Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.","Organic & biomolecular chemistry","2014","12","44","8861","8865","10.1039/c4ob01644k","","","0.71073","MoKα","","0.0544","0.0429","","","0.0975","0.105","","","","","","1.065","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154098","22.2842","0.001","11.1478","0.0005","18.7003","0.0012","90","","102.746","0.005","90","","4531","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H52 Cl2 F2 N4 O4 -","- C51 H52 Cl2 F2 N4 O4 -","- C204 H208 Cl8 F8 N16 O16 -","4","0.5","","Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.","Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.","Organic & biomolecular chemistry","2014","12","44","8861","8865","10.1039/c4ob01644k","","","0.71073","MoKα","","0.0723","0.0553","","","0.1267","0.1392","","","","","","1.038","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154099","11.9848","0.0009","13.535","0.001","13.8969","0.001","87.087","0.006","72.785","0.006","80.922","0.006","2126.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C100 H104 N8 O8 -","4","2","","Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.","Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.","Organic & biomolecular chemistry","2014","12","44","8861","8865","10.1039/c4ob01644k","","","0.71073","MoKα","","0.0605","0.0464","","","0.105","0.1127","","","","","","1.033","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154100","18.898","0.003","8.9379","0.0015","13.094","0.002","90","","107.023","0.011","90","","2114.8","0.6","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H18 Br N3 O5 S2 -","- C16 H18 Br N3 O5 S2 -","- C64 H72 Br4 N12 O20 S8 -","4","1","","Zhang, Huanrui; Wang, Baomin; Cui, Longchen; Li, Ying; Qu, Jingping; Song, Yuming","Organocatalytic enantioselective α-amination of 5-substituted rhodanines: an efficient approach to chiral N,S-acetals.","Organic & biomolecular chemistry","2014","12","45","9097","9100","10.1039/c4ob01921k","","","0.71073","MoKα","","0.0526","0.0372","","","0.0908","0.0975","","","","","","1","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154101","6.3774","0.0003","10.614","0.0005","26.4051","0.0019","90","","103.339","0.006","90","","1739.13","0.18","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Amara, Z.; Bernadat, G.; Venot, P.-E.; Retailleau, P.; Troufflard, C.; Drège, E; Le Bideau, F.; Joseph, D.","Thermodynamic epimeric equilibration and crystallisation-induced dynamic resolution of lobelanine, norlobelanine and related analogues.","Organic & biomolecular chemistry","2014","12","48","9797","9810","10.1039/c4ob01787k","","","1.54187","CuKα","","0.1039","0.0512","","","0.1179","0.1894","","","","","","1.131","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154102","23.678","0.006","14.55","0.002","19.515","0.004","90","","126.678","0.005","90","","5392","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 N O2 -","- C34 H33 N O2 -","- C272 H264 N8 O16 -","8","1","","Amara, Z.; Bernadat, G.; Venot, P.-E.; Retailleau, P.; Troufflard, C.; Drège, E; Le Bideau, F.; Joseph, D.","Thermodynamic epimeric equilibration and crystallisation-induced dynamic resolution of lobelanine, norlobelanine and related analogues.","Organic & biomolecular chemistry","2014","12","48","9797","9810","10.1039/c4ob01787k","","","0.71073","MoKα","","0.0705","0.0486","","","0.1211","0.1384","","","","","","1.045","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154103","5.421","0.002","11.015","0.003","28.258","0.006","90","","100.74","0.004","90","","1657.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Amara, Z.; Bernadat, G.; Venot, P.-E.; Retailleau, P.; Troufflard, C.; Drège, E; Le Bideau, F.; Joseph, D.","Thermodynamic epimeric equilibration and crystallisation-induced dynamic resolution of lobelanine, norlobelanine and related analogues.","Organic & biomolecular chemistry","2014","12","48","9797","9810","10.1039/c4ob01787k","","","0.71073","MoKα","","0.0832","0.0466","","","0.1108","0.1301","","","","","","1.035","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154104","29.664","0.009","6.1441","0.0019","19.888","0.006","90","","121.936","0.004","90","","3076.1","1.6","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","1","","Zhu, Yuequan; Zhang, Min; Yuan, Hongling; Gong, Yuefa","Synthesis of functionalized fulvenes: [3 + 2] annulation of ethyl α-chlorocyclopropaneformates with 1,3-dicarbonyl compounds.","Organic & biomolecular chemistry","2014","12","44","8828","8831","10.1039/c4ob01973c","","","0.71073","MoKα","","0.0817","0.0537","","","0.1359","0.153","","","","","","1.003","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154105","6.462","0.003","21.405","0.002","11.722","0.004","90","","105.001","0.001","90","","1566.1","0.9","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H23 N5 O16 -","- C30 H23 N5 O16 -","- C60 H46 N10 O32 -","2","1","","Coelho, Jaime A. S.; Trindade, Alexandre F.; André, Vânia; Teresa Duarte, M.; Veiros, Luis F.; Afonso, Carlos A. M.","Trienamines derived from 5-substituted furfurals: remote ε-functionalization of 2,4-dienals.","Organic & biomolecular chemistry","2014","12","46","9324","","10.1039/c4ob01759e","","","0.71069","MoKα","","0.0988","0.0544","","","0.1136","0.1284","","","","","","0.967","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154106","10.3833","0.0007","10.5874","0.0007","13.2957","0.0009","90","","111.926","0.003","90","","1355.9","0.16","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N5 O7 -","- C27 H33 N5 O7 -","- C54 H66 N10 O14 -","2","1","","Prasanna, R.; Purushothaman, S.; Raghunathan, R.","Rapid assembly of heterocycle grafted macrocycles via tandem one-pot double 1,3-dipolar cycloaddition reaction.","Organic & biomolecular chemistry","2014","12","46","9375","","10.1039/c4ob01778a","","","0.71073","MoKα","","0.0592","0.0432","","","0.1031","0.1153","","","","","","1.034","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154107","10.104","0.0004","15.7277","0.0007","10.7107","0.0004","90","","106.895","0.002","90","","1628.6","0.12","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H39 N5 O7 -","- C35 H39 N5 O7 -","- C70 H78 N10 O14 -","2","1","","Prasanna, R.; Purushothaman, S.; Raghunathan, R.","Rapid assembly of heterocycle grafted macrocycles via tandem one-pot double 1,3-dipolar cycloaddition reaction.","Organic & biomolecular chemistry","2014","12","46","9375","","10.1039/c4ob01778a","","","0.71073","MoKα","","0.0585","0.042","","","0.0987","0.1081","","","","","","1.03","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154108","20.584","0.004","16.0252","0.0013","13.038","0.002","90","","128.09","0.03","90","","3384.9","1.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 N2 O3.5 S -","- C15 H23 N2 O3.5 S -","- C120 H184 N16 O28 S8 -","8","1","","Díaz Velázquez, Heriberto; Ruiz García, Yara; Vandichel, Matthias; Madder, Annemieke; Verpoort, Francis","Water-soluble NHC-Cu catalysts: applications in click chemistry, bioconjugation and mechanistic analysis.","Organic & biomolecular chemistry","2014","12","46","9350","","10.1039/c4ob01350f","","","0.71073","MoKα","","0.0799","0.0739","","","0.1549","0.1576","","","","","","1.036","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154109","7.3279","0.0009","14.173","0.0017","22.626","0.003","90","","90","","90","","2349.9","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-1-(6-chloro-2,2-dioxido-3,4-dihydrobenzo[e][1,2,3]oxathiazin-4-yl)propan-2-one","","- C10 H10 Cl N O4 S -","- C10 H10 Cl N O4 S -","- C80 H80 Cl8 N8 O32 S8 -","8","2","","Wang, You-Qing; Cui, Xiao-Yu; Ren, Yuan-Yuan; Zhang, Yongna","A highly enantioselective and regioselective organocatalytic direct Mannich reaction of methyl alkyl ketones with cyclic imines benzo[e][1,2,3]oxathiazine 2,2-dioxides.","Organic & biomolecular chemistry","2014","12","45","9101","9104","10.1039/c4ob01902d","","","0.71073","MoKα","","0.0898","0.0463","","","0.0896","0.1048","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154110","6.687","0.002","19.034","0.007","35.511","0.012","90","","90","","90","","4520","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C192 H256 O48 -","16","4","","Shing, Tony K. M.; Wong, Anthony W. H.; Li, Huiyan; Liu, Z. F.; Chan, Paul K. S.","Conformationally locked bicyclo[4.3.0]nonane carbanucleosides: synthesis and bio-evaluation.","Organic & biomolecular chemistry","2014","12","46","9439","","10.1039/c4ob01763c","","","0.71073","MoKα","","0.1291","0.0483","","","0.1059","0.1449","","","","","","1.019","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154111","8.5282","0.0009","10.7576","0.0011","41.024","0.004","90","","90","","90","","3763.7","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19.5 N5 O3.5 -","- C14 H18.5 N5 O3.5 -","- C112 H148 N40 O28 -","8","2","","Shing, Tony K. M.; Wong, Anthony W. H.; Li, Huiyan; Liu, Z. F.; Chan, Paul K. S.","Conformationally locked bicyclo[4.3.0]nonane carbanucleosides: synthesis and bio-evaluation.","Organic & biomolecular chemistry","2014","12","46","9439","","10.1039/c4ob01763c","","","0.71073","MoKα","","0.192","0.1647","","","0.3716","0.3918","","","","","","1.732","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154112","8.649","0.007","21.553","0.015","9.886","0.008","90","","109.782","0.009","90","","1734","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-[2-(4-nitrophenyl)-3-(phenylamino)allylidene]aniline","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Romero-Fernández, María P; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Pseudo-cyclic structures of mono- and di-azaderivatives of malondialdehydes. Synthesis and conformational disentanglement by computational analyses.","Organic & biomolecular chemistry","2014","12","44","8997","9010","10.1039/c4ob01507j","","","0.71073","MoKα","","0.1207","0.0889","","","0.1428","0.1557","","","","","","1.208","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154113","4.1847","0.0019","13.013","0.006","24.919","0.011","90","","93.169","0.008","90","","1354.9","1.1","100","2","100","2","","","","","","","Pedro Cintas","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Romero-Fernández, María P; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Pseudo-cyclic structures of mono- and di-azaderivatives of malondialdehydes. Synthesis and conformational disentanglement by computational analyses.","Organic & biomolecular chemistry","2014","12","44","8997","9010","10.1039/c4ob01507j","","","0.71075","MoKα","","0.0553","0.044","","","0.1033","0.1089","","","","","","1.119","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154114","9.5245","0.0006","10.9766","0.0006","13.0812","0.0003","66.231","0.005","83.209","0.005","83.846","0.005","1240.14","0.12","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Cl2 Cu N5 O -","- C26 H27 Cl2 Cu N5 O -","- C52 H54 Cl4 Cu2 N10 O2 -","2","1","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","1.54184","CuKα","","0.0419","0.0376","","","0.0978","0.0996","","","","","","0.987","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154115","27.5775","0.0009","27.9449","0.001","10.4795","0.0004","90","","90","","90","","8076","0.5","173.01","0.1","173.01","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C23 H20 Cd Cl2 N4 -","- C23 H20 Cd Cl2 N4 -","- C276 H240 Cd12 Cl24 N48 -","12","1.5","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","0.71073","MoKα","","0.0752","0.0487","","","0.1309","0.1438","","","","","","0.975","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154116","12.524","0.0003","9.51563","0.00011","16.6958","0.0003","90","","108.479","0.0019","90","","1887.11","0.06","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 N4 Zn -","- C21 H16 Cl2 N4 Zn -","- C84 H64 Cl8 N16 Zn4 -","4","1","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","1.54184","CuKα","","0.0295","0.0258","","","0.0644","0.0669","","","","","","1.042","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154117","12.9203","0.0002","9.79833","0.00013","16.0669","0.0003","90","","107.204","0.0019","90","","1943.02","0.06","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cd Cl2 N4 -","- C21 H16 Cd Cl2 N4 -","- C84 H64 Cd4 Cl8 N16 -","4","1","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","1.54184","CuKα","","0.0327","0.0279","","","0.0706","0.0736","","","","","","1.057","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154118","12.941","0.0003","9.8715","0.0002","16.0933","0.0004","90","","107.168","0.003","90","","1964.27","0.08","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 Hg N4 -","- C21 H16 Cl2 Hg N4 -","- C84 H64 Cl8 Hg4 N16 -","4","1","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","0.71073","MoKα","","0.0358","0.0287","","","0.0643","0.0689","","","","","","1.02","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154119","11.2184","0.0005","11.0939","0.0005","15.1186","0.0007","90","","103.13","0.001","90","","1832.41","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3aa","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","","Yeh, Chien-Hung; Chen, Wei-Chen; Gandeepan, Parthasarathy; Hong, Ya-Chun; Shih, Cheng-Hung; Cheng, Chien-Hong","Rh(III)-catalyzed dual directing group assisted sterically hindered C-H bond activation: a unique route to meta and ortho substituted benzofurans.","Organic & biomolecular chemistry","2014","12","45","9105","9108","10.1039/c4ob01876a","","","0.71073","MoKα","","0.0506","0.04","","","0.0983","0.1053","","","","","","1.019","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154120","17.3636","0.0016","10.3459","0.0009","9.9494","0.001","90","","92.111","0.002","90","","1786.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br N O2 -","- C22 H16 Br N O2 -","- C88 H64 Br4 N4 O8 -","4","1","","Yeh, Chien-Hung; Chen, Wei-Chen; Gandeepan, Parthasarathy; Hong, Ya-Chun; Shih, Cheng-Hung; Cheng, Chien-Hong","Rh(III)-catalyzed dual directing group assisted sterically hindered C-H bond activation: a unique route to meta and ortho substituted benzofurans.","Organic & biomolecular chemistry","2014","12","45","9105","9108","10.1039/c4ob01876a","","","0.71073","MoKα","","0.0388","0.0256","","","0.0615","0.0786","","","","","","1.13","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154121","25.919","0.003","11.2554","0.0014","11.6261","0.0014","90","","101.271","0.002","90","","3326.3","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 N2 O4 -","- C44 H30 N2 O4 -","- C176 H120 N8 O16 -","4","0.5","","Yeh, Chien-Hung; Chen, Wei-Chen; Gandeepan, Parthasarathy; Hong, Ya-Chun; Shih, Cheng-Hung; Cheng, Chien-Hong","Rh(III)-catalyzed dual directing group assisted sterically hindered C-H bond activation: a unique route to meta and ortho substituted benzofurans.","Organic & biomolecular chemistry","2014","12","45","9105","9108","10.1039/c4ob01876a","","","0.71073","MoKα","","0.0723","0.0494","","","0.1252","0.1394","","","","","","1.031","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154122","13.4574","0.0005","13.4574","0.0005","23.307","0.002","90","","90","","90","","4220.9","0.4","293","","293","","","","","","","","","4","P 41","P 4w","76","","bicyclo[3.3.1]nonane-2,6-dione","","- C50 H43 N8 O4 -","- C50 H43 N8 O4 -","- C200 H172 N32 O16 -","4","1","","Wixe, Torbjörn; Christensen, Niels Johan; Lidin, Sven; Fristrup, Peter; Wärnmark, Kenneth","A short designed semi-aromatic organic nanotube - synthesis, chiroptical characterization, and host properties.","Organic & biomolecular chemistry","2014","12","44","8930","8941","10.1039/c4ob01683a","","x-ray","0.71073","MoKα","","0.3349","0.0834","","","0.1437","0.2336","","","","1.71","1.71","1.16","","","","has coordinates","201208","2020-10-21","18:00:00",""
"7154123","10.54","0.0018","18.518","0.003","16.641","0.003","90","","98.845","0.003","90","","3209.4","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Cl N2 O6 -","- C38 H33 Cl N2 O6 -","- C152 H132 Cl4 N8 O24 -","4","1","","Feng, Ting-Ting; Huang, Xuan; Liu, Xiong-Li; Jing, De-Hong; Liu, Xiong-Wei; Guo, Feng-Ming; Zhou, Ying; Yuan, Wei-Cheng","Highly regioselective synthesis of 3-alkenyl-oxindole ring-fused 3,3'-disubstituted oxindoles via direct gamma-substitution of Morita-Baylis-Hillman carbonates of isatins with 3-substituted oxindoles.","Organic & biomolecular chemistry","2014","12","46","9366","","10.1039/c4ob01523a","","","0.71073","MoKα","","0.1763","0.0695","","","0.1563","0.202","","","","","","0.944","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154124","11.2629","0.0017","11.9759","0.0019","12.3346","0.0019","81.629","0.002","68.063","0.002","65.327","0.002","1402.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 F N2 O6 -","- C32 H29 F N2 O6 -","- C64 H58 F2 N4 O12 -","2","1","","Feng, Ting-Ting; Huang, Xuan; Liu, Xiong-Li; Jing, De-Hong; Liu, Xiong-Wei; Guo, Feng-Ming; Zhou, Ying; Yuan, Wei-Cheng","Highly regioselective synthesis of 3-alkenyl-oxindole ring-fused 3,3'-disubstituted oxindoles via direct gamma-substitution of Morita-Baylis-Hillman carbonates of isatins with 3-substituted oxindoles.","Organic & biomolecular chemistry","2014","12","46","9366","","10.1039/c4ob01523a","","","0.71073","MoKα","","0.089","0.0556","","","0.1595","0.1842","","","","","","1.018","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154125","17.5165","0.0003","5.8865","0.0001","23.614","0.0004","90","","94.997","0.001","90","","2425.61","0.07","140","2","140","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H27 N3 O2 -","- C32 H27 N3 O2 -","- C128 H108 N12 O8 -","4","1","","Zhang, Hong-Hao; Sun, Xiao-Xue; Liang, Jing; Wang, Yue-Ming; Zhao, Chang-Chun; Shi, Feng","Catalytic asymmetric Povarov reaction of isatin-derived 2-azadienes with 3-vinylindoles.","Organic & biomolecular chemistry","2014","12","47","9539","9546","10.1039/c4ob01741b","","","1.54178","CuKα","","0.0487","0.0441","","","0.1239","0.1322","","","","","","1.105","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154126","13.4156","0.0006","13.4156","0.0006","28.813","0.0014","90","","90","","120","","4491","0.4","173","","173","","","","","","","","","4","P 32","P 32","145","","(R)-N-(1-Phenylethyl)-2-chromonecarboxamide","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C216 H180 N12 O36 -","12","4","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","1.54178","CuKα","","0.0438","0.0438","","","0.1163","0.1164","","","","","","1.025","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154127","5.9167","0.0009","10.9747","0.0017","12.2265","0.0018","64.424","0.0019","82.594","0.0019","89.995","0.0019","708.78","0.19","173","","173","","","","","","","","","4","P 1","P 1","1","","(R)-N-(1-t-Butylethyl)-2-chromonecarboxamide","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","2","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0441","0.0398","","","0.1003","0.1043","","","","","","1.042","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154128","12.2096","0.0009","13.7443","0.001","18.0044","0.0014","90","","90","","90","","3021.4","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","anti-HH Photodimer of (R)-N-(1-phenylethyl)-2-chromonecarboxamide","","- C36 H30 N2 O6 -","- C36 H30 N2 O6 -","- C144 H120 N8 O24 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0604","0.0469","","","0.115","0.1227","","","","","","1.017","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154129","9.7337","0.001","13.9495","0.0014","22.104","0.002","90","","90","","90","","3001.3","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anti-HH photodimer of (R)-N-(1-phenylethyl)-2-chromonecarboxamide","","- C36 H30 N2 O6 -","- C36 H30 N2 O6 -","- C144 H120 N8 O24 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0587","0.0424","","","0.0944","0.1111","","","","","","1.005","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154130","7.704","0.018","14.23","0.03","26.5","0.06","90","","90","","90","","2905","11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anti-HH photodimer of (R)-N-(1-t-butylethyl)-2-chromonecarboxamide","","- C32 H38 N2 O6 -","- C32 H38 N2 O6 -","- C128 H152 N8 O24 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.1081","0.0629","","","0.1531","0.1907","","","","","","1.006","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154131","8.021","0.003","15.273","0.005","21.484","0.007","90","","90","","90","","2631.9","1.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anti-HH photodimer of (S)-N-(1-methoxycarbonylethyl)-2-chromonecarboxamide","","- C28 H26 N2 O10 -","- C28 H26 N2 O10 -","- C112 H104 N8 O40 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0761","0.0535","","","0.1372","0.1564","","","","","","0.896","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154132","12.38","0.005","12.38","0.005","42.393","0.017","90","","90","","120","","5627","4","173","","173","","","","","","","","","4","P 65","P 65","170","","Anti-HH photodimer of (S)-N-(1-methoxycarbonylethyl)-2-chromonecarboxamide","","- C39 H41 N3 O12 -","- C39 H41 N3 O12 -","- C234 H246 N18 O72 -","6","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0865","0.0631","","","0.1416","0.1557","","","","","","0.952","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154135","32.485","0.003","5.3094","0.0004","11.662","0.0007","90","","91.786","0.007","90","","2010.4","0.3","130","0.1","130","0.1","","","","","","","","4","C 1 2 1","C 2y","5","(4S)-4-Benzyl-3-[(1R,2S)-2-octylcyclopropane-1-oyl]oxazolidinone","","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","","Shah, Sayali; White, Jonathan M.; Williams, Spencer J.","Total syntheses of cis-cyclopropane fatty acids: dihydromalvalic acid, dihydrosterculic acid, lactobacillic acid, and 9,10-methylenehexadecanoic acid.","Organic & biomolecular chemistry","2014","12","46","9427","","10.1039/c4ob01863j","","","1.5418","CuKα","","0.0681","0.0556","","","0.1287","0.1387","","","","","","0.991","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154136","7.7019","0.0004","9.4338","0.0005","10.0092","0.0005","63.0521","0.0008","68.8273","0.0007","71.1657","0.0008","593.34","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","1","","Zhang, Wandi; Haskins, Christopher W.; Yang, Yang; Dai, Mingji","Synthesis of nitriles via palladium-catalyzed water shuffling from amides to acetonitrile.","Organic & biomolecular chemistry","2014","12","45","9109","9112","10.1039/c4ob01825g","","","0.71073","MoKα","","0.0621","0.0543","","","0.1426","0.1503","","","","","","1.06","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154137","13.3524","0.0001","9.2448","0.0001","21.2654","0.0002","90","","91.8315","0.0008","90","","2623.67","0.04","150","","150","","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","2","methyl 2-((2-benzamido-6-(2,5-dimethoxybenzamido)phenyl)ethynyl)benzoate","","- C32 H26 N2 O6 -","- C32 H26 N2 O6 -","- C128 H104 N8 O24 -","4","1","","Knipe, Peter C.; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Remote conformational control of a molecular switch via methylation and deprotonation.","Organic & biomolecular chemistry","2014","12","46","9384","","10.1039/c4ob01991a","","","1.5418","CuKα","","0.0389","0.0378","","0.0496","0.049","0.0496","","","","","","1.2313","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154138","11.2591","0.0007","24.5888","0.0004","9.3566","0.0001","90","","108.437","0.008","90","","2457.4","0.2","93","2","93","2","","","100","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Compound 3","methyl 2-((2-benzamido-6-(2-hydroxy-5-methoxybenzamido)phenyl)ethynyl)benzoate","","- C31 H24 N2 O6 -","- C31 H24 N2 O6 -","- C124 H96 N8 O24 -","4","1","","Knipe, Peter C.; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Remote conformational control of a molecular switch via methylation and deprotonation.","Organic & biomolecular chemistry","2014","12","46","9384","","10.1039/c4ob01991a","","x-ray","1.54187","CuKα","","0.0345","0.0339","","","0.0882","0.0887","","","","","","1.059","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154139","8.3232","0.0001","15.9988","0.0003","16.915","0.0003","106.384","0.0008","101.55","0.0008","101.955","0.0008","2032.23","0.06","150","","150","","","","100","","","","synthesis","4","P -1","-P 1","2","Compound 5","tetra-n-butylammonium 2-((3-benzamido-2-((2-(methoxycarbonyl)phenyl)ethynyl)phenyl)carbamoyl)-4-methoxyphenolate","","- C47 H59 N3 O6 -","- C47 H59 N3 O6 -","- C94 H118 N6 O12 -","2","1","","Knipe, Peter C.; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Remote conformational control of a molecular switch via methylation and deprotonation.","Organic & biomolecular chemistry","2014","12","46","9384","","10.1039/c4ob01991a","","","0.71073","MoKα","","0.0735","0.0441","","0.0856","0.0686","0.0856","","","","","","1.0039","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154140","10.7835","0.0004","8.1115","0.0003","19.3202","0.0007","90","","90.523","0.004","90","","1689.87","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 I N O5 -","- C17 H14 I N O5 -","- C68 H56 I4 N4 O20 -","4","1","","Xia, Xiao-Feng; Gu, Zhen; Liu, Wentao; Wang, Ningning; Wang, Haijun; Xia, Yongmei; Gao, Haiyan; Liu, Xiang","Selective oxygenation of alkynes: a direct approach to diketones and vinyl acetate.","Organic & biomolecular chemistry","2014","12","48","9909","9913","10.1039/c4ob01404a","","","0.71","MoKα","","0.039","0.0321","","","0.0741","0.0793","","","","","","1.028","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154144","11.012","0.002","13.289","0.003","18.958","0.004","90","","90","","90","","2774.3","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N O5 -","- C33 H33 N O5 -","- C132 H132 N4 O20 -","4","1","","Zanato, Chiara; Watson, Sonia; Bewick, Guy S.; Harrison, William T. A.; Zanda, Matteo","Synthesis and biological evaluation of (-)-kainic acid analogues as phospholipase D-coupled metabotropic glutamate receptor ligands.","Organic & biomolecular chemistry","2014","12","47","9638","9643","10.1039/c4ob02002b","","","1.54187","CuKα","","0.0257","0.0251","","","0.0638","0.0644","","","","","","1.048","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154145","7.8264","0.0016","11.561","0.002","16.718","0.003","96.36","0.03","95.09","0.03","102.82","0.03","1455.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N3 O3 S2 -","- C33 H30 N3 O3 S2 -","- C66 H60 N6 O6 S4 -","2","1","","Zhu, Yu; Shen, Xin-Rui; Tang, Hai-Tao; Lin, Min; Zhan, Zhuang-Ping","Silver(i)-catalyzed annulation for the regioselective synthesis of N-imino-γ-carbolinium ylides from hydrazones of indole-3-carbonyl derivatives and propargylic alcohols.","Organic & biomolecular chemistry","2014","12","47","9514","9518","10.1039/c4ob02020k","","","0.71073","MoKα","","0.0684","0.0502","","","0.1727","0.2362","","","","","","0.97","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154146","10.2471","0.0005","15.4948","0.0008","17.7996","0.0009","90","","105.211","0.005","90","","2727.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N3 O2 S -","- C35 H27 N3 O2 S -","- C140 H108 N12 O8 S4 -","4","1","","Zhu, Yu; Shen, Xin-Rui; Tang, Hai-Tao; Lin, Min; Zhan, Zhuang-Ping","Silver(i)-catalyzed annulation for the regioselective synthesis of N-imino-γ-carbolinium ylides from hydrazones of indole-3-carbonyl derivatives and propargylic alcohols.","Organic & biomolecular chemistry","2014","12","47","9514","9518","10.1039/c4ob02020k","","","0.71073","MoKα","","0.0616","0.045","","","0.1074","0.1175","","","","","","1.029","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154149","12.7896","0.0014","13.3917","0.0015","13.448","0.0015","68.542","0.002","63.471","0.001","76.053","0.002","1909.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O4 S -","- C20 H20 N2 O4 S -","- C80 H80 N8 O16 S4 -","4","2","","Ni, Fan; Yang, Yan; Shu, Wen-Ming; Ma, Jun-Rui; Wu, An-Xin","Brønsted acid promoted addition-cyclization and C-C bond cleavage: a convenient synthesis of 2-amino-5-aroylmethylthiazoles derivatives.","Organic & biomolecular chemistry","2014","12","46","9466","","10.1039/c4ob01519c","","","0.71073","MoKα","","0.0776","0.0487","","","0.1323","0.1718","","","","","","1.06","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154151","19.8","0.02","5.863","0.006","20.83","0.02","90","","101.188","0.012","90","","2372","4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 Br N0 O3 P -","- C24 H32 Br O3 P -","- C96 H128 Br4 O12 P4 -","4","2","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1719","0.135","","","0.2983","0.3188","","","","","","1.083","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154152","12.436","0.013","5.7781","0.0007","15.9687","0.0016","90","","92.534","0.001","90","","1146.3","1.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 N0 O4 P -","- C25 H30 O4 P -","- C50 H60 O8 P2 -","2","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1811","0.1367","","","0.3229","0.3557","","","","","","1.092","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154153","5.7766","0.0004","12.208","0.0012","16.2225","0.0015","83.552","0.002","82.785","0.001","78.777","0.001","1108.71","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H37 N0 O3 P -","- C22 H37 O3 P -","- C44 H74 O6 P2 -","2","2","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.0534","0.0435","","","0.0898","0.0973","","","","","","1.032","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154154","5.8926","0.0018","18.289","0.002","22.043","","90","","90","","90","","2375.6","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N O5 P -","- C24 H33 N O5 P -","- C96 H132 N4 O20 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1158","0.0614","","","0.1032","0.1242","","","","","","1.035","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154155","10.4511","0.0012","19.5742","0.0006","11.0005","0.0011","90","","117.362","0.002","90","","1998.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Br O3 P -","- C20 H24 Br O3 P -","- C80 H96 Br4 O12 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1627","0.0889","","","0.2117","0.2647","","","","","","1.039","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154156","24.45","0.004","5.8577","0.0007","20.328","0.003","90","","114.063","0.017","90","","2658.4","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H36 O3 P -","- C30 H37 O3 P -","- C120 H148 O12 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1435","0.0707","","","0.1028","0.139","","","","","","1.027","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154157","15.6312","0.0013","5.9562","0.0004","19.6323","0.0017","90","","92.006","0.001","90","","1826.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br O3 P -","- C18 H22 Br O3 P -","- C72 H88 Br4 O12 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.2615","0.1842","","","0.4463","0.4999","","","","","","1.11","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154159","15.737","0.004","14.565","0.003","20.694","0.005","90","","111.581","0.003","90","","4410.7","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O2 S2 -","- C22 H29 N O2 S2 -","- C176 H232 N8 O16 S16 -","8","2","","Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu","Visible light-mediated dehydrogenative β-arylsulfonylation of tertiary aliphatic amines with arylsulfonyl chlorides.","Organic & biomolecular chemistry","2014","12","46","9337","","10.1039/c4ob01713g","","","0.71073","MoKα","","0.0943","0.083","","","0.1357","0.1404","","","","","","1.271","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154160","22.425","0.005","8.478","0.003","14.695","0.007","90","","108.438","0.004","90","","2650.4","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O2 S -","- C13 H19 N O2 S -","- C104 H152 N8 O16 S8 -","8","2","","Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu","Visible light-mediated dehydrogenative β-arylsulfonylation of tertiary aliphatic amines with arylsulfonyl chlorides.","Organic & biomolecular chemistry","2014","12","46","9337","","10.1039/c4ob01713g","","","0.71073","MoKα","","0.0952","0.0809","","","0.1577","0.1662","","","","","","1.16","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154184","18.769","0.004","12.495","0.003","13.68","0.003","90","","90","","90","","3208.2","1.2","173.15","","173.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","anti-5g","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C112 H112 N32 O32 -","8","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.089","0.0825","","","0.2014","0.2066","","","","","","1.139","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154185","10.8728","0.0015","14.6282","0.0018","16.068","0.002","73.171","0.006","81.536","0.007","77.112","0.007","2375.2","0.5","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","syn-5a","","- C22 H25 Cl2 N5 O4 S -","- C22 H25 Cl2 N5 O4 S -","- C88 H100 Cl8 N20 O16 S4 -","4","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.0759","0.0641","","","0.1301","0.1373","","","","","","1.126","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154186","7.764","0.003","9.345","0.004","20.472","0.009","80.083","0.016","86.694","0.016","79.18","0.013","1436.6","1","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","syn-5g","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C56 H56 N16 O16 -","4","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.1272","0.1109","","","0.3066","0.3194","","","","","","1.123","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154187","13.41","0.003","6.5061","0.0013","18.689","0.004","90","","94.61","0.03","90","","1625.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5h","","- C14 H14 N8 O4 -","- C14 H14 N8 O4 -","- C56 H56 N32 O16 -","4","1","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.0634","0.0534","","","0.1803","0.2237","","","","","","1.205","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154188","18.126","0.005","14.074","0.004","16.468","0.006","90","","95.045","0.004","90","","4185","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","anti-5a","","- C21 H23 N5 O4 S -","- C21 H23 N5 O4 S -","- C168 H184 N40 O32 S8 -","8","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.0995","0.0834","","","0.1577","0.1659","","","","","","1.242","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154189","10.9779","0.0007","5.7869","0.0005","12.1402","0.001","90","","92.349","0.004","90","","770.59","0.1","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C28 H38 N2 O10 S2 -","2","1","","Denoël, Thibaut; Zervosen, Astrid; Lemaire, Christian; Joris, Bernard; Hervé, Mireille; Blanot, Didier; Zaragoza, Guillermo; Luxen, André","Enantioselective synthesis of α-benzylated lanthionines and related tripeptides for biological incorporation into E. coli peptidoglycan.","Organic & biomolecular chemistry","2014","12","48","9853","9863","10.1039/c4ob01476f","","x-ray","0.7107","MoKα","","0.0357","0.0325","","","0.068","0.0695","","","","","","1.014","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154190","5.7297","0.0003","16.224","0.0009","17.5243","0.0009","90","","90","","90","","1629.04","0.15","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N4 O5 S -","- C14 H18 N4 O5 S -","- C56 H72 N16 O20 S4 -","4","1","","Denoël, Thibaut; Zervosen, Astrid; Lemaire, Christian; Joris, Bernard; Hervé, Mireille; Blanot, Didier; Zaragoza, Guillermo; Luxen, André","Enantioselective synthesis of α-benzylated lanthionines and related tripeptides for biological incorporation into E. coli peptidoglycan.","Organic & biomolecular chemistry","2014","12","48","9853","9863","10.1039/c4ob01476f","","x-ray","0.7107","MoKα","","0.0762","0.0465","","","0.0949","0.1098","","","","","","0.854","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154192","15.0756","0.0002","15.9328","0.0003","28.2582","0.0006","90","","90","","90","","6787.5","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[1,3-Bis(1,3,4,6-O-benzyl-2-deoxy‒D-glucopyranoside)imidazol-2-ylidene](chloro)(1,5-cyclooctadiene)rhodium(I)","","- C79 H84 Cl N2 O10 Rh -","- C79 H84 Cl N2 O10 Rh -","- C316 H336 Cl4 N8 O40 Rh4 -","4","1","","Henderson, Alexander S.; Bower, John F.; Galan, M. Carmen","Carbohydrate-based N-heterocyclic carbenes for enantioselective catalysis.","Organic & biomolecular chemistry","2014","12","45","9180","9183","10.1039/c4ob02056a","","","0.71073","MoKα","","0.0462","0.0334","","","0.0611","0.0653","","","","","","1.013","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7213546","18.6421","0.0019","18.6421","0.0019","18.6421","0.0019","90","","90","","90","","6478.6","1.1","293","2","293","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","catena-(tetra(μ~8~-(5,5',5'',5'''-(adamantane-1,3,5,7-tetrayl)- -tetrakistetrazolato))- -bis(μ~4~-chloro)-octa(N,N-dimethylformamide)-nona-copper(II), dimethylformamide solvate","","- C83 H111 Cl2 Cu9 N73 O9 -","- C83.2 H48 Cl2 Cu9 N73.44 O10 -","- C166.4 H96 Cl4 Cu18 N146.88 O20 -","2","0.0104167","","Boldog, Ishtvan; Domasevitch, Konstantin; Maclaren, Jana K.; Heering, Christian; Makhloufi, Gamall; Janiak, Christoph","A fluorite isoreticular series of porous framework complexes with tetrahedral ligands: new opportunities for azolate PCPs","CrystEngComm","2014","16","2","148","","10.1039/c3ce42162g","","","1.5418","CuKα","","0.0637","0.0629","","","0.1674","0.1682","","","","","","1.109","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213547","18.9532","0.0003","18.9532","0.0003","31.3238","0.0012","90","","90","","90","","11252.3","0.5","100","2","100","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","catena-(bis(μ~8~-(5,5',5'',5'''-((adamantane-1,3,5,7-tetrayl)- -tetra-(phen-4-yl))-tetrakistetrazolato))- -(μ~4~-chloro)-trichloro-tetra-(N,N-dimethylacetamide)- hexa-copper(ii), dimethylacetamide, methanol and water solvate","","- C76 H56 Cl4 Cu6 N32 -","- C76 H56 Cl4 Cu6 N32 O4 -","- C152 H112 Cl8 Cu12 N64 O8 -","2","0.0625","","Boldog, Ishtvan; Domasevitch, Konstantin; Maclaren, Jana K.; Heering, Christian; Makhloufi, Gamall; Janiak, Christoph","A fluorite isoreticular series of porous framework complexes with tetrahedral ligands: new opportunities for azolate PCPs","CrystEngComm","2014","16","2","148","","10.1039/c3ce42162g","","","0.71073","MoKα","","0.0732","0.055","","","0.1568","0.1673","","","","","","1.088","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213548","19.7788","0.0005","19.7788","0.0005","31.6321","0.0007","90","","90","","90","","12374.5","0.5","220","2","220","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","catena-(bis(μ~8~-(5,5',5'',5'''-((adamantane-1,3,5,7-tetrayl)- -tetra-(phen-4-yl))-tetrakistetrazolato))- -(μ~4~-chloro)-tri-(chloro)-hexa-(N,N-dimethylformamide)- hexa-cadmium(ii), dimethylformamide and water solvate","","- C76 H56 Cd6 Cl4 N32 -","- C76 H56 Cd6 Cl4 N32 O6 -","- C152 H112 Cd12 Cl8 N64 O12 -","2","0.0625","","Boldog, Ishtvan; Domasevitch, Konstantin; Maclaren, Jana K.; Heering, Christian; Makhloufi, Gamall; Janiak, Christoph","A fluorite isoreticular series of porous framework complexes with tetrahedral ligands: new opportunities for azolate PCPs","CrystEngComm","2014","16","2","148","","10.1039/c3ce42162g","","","0.71073","MoKα","","0.0536","0.0414","","","0.1185","0.1228","","","","","","0.972","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213549","6.0892","0.0007","6.5384","0.0007","16.9014","0.0018","80.756","0.002","84.572","0.002","62.398","0.002","588.42","0.11","115","2","115","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H15 O2 -","- C15 H15 O2 -","- C30 H30 O4 -","2","1","","Iwase, Noriaki; Shigeno, Yuta; Wakabayashi, Takashi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Molecular recognition of a large bisphenol A derivative, α,α′-bis(4-hydroxyphenyl)-1,4-diisopropylbenzene, using p-benzoquinone derivatives","CrystEngComm","2014","16","2","159","","10.1039/c3ce41432a","","","0.71073","MoKα","","0.0602","0.0485","","","0.1204","0.1279","","","","","","1.037","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213550","6.5163","0.0004","29.4058","0.0019","11.3547","0.0007","90","","90.999","0.001","90","","2175.4","0.2","115","2","115","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 O3 -","- C28 H30 O3 -","- C112 H120 O12 -","4","1","","Iwase, Noriaki; Shigeno, Yuta; Wakabayashi, Takashi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Molecular recognition of a large bisphenol A derivative, α,α′-bis(4-hydroxyphenyl)-1,4-diisopropylbenzene, using p-benzoquinone derivatives","CrystEngComm","2014","16","2","159","","10.1039/c3ce41432a","","","0.71073","MoKα","","0.0804","0.0559","","","0.1194","0.1298","","","","","","1.034","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213551","6.5284","0.0005","29.274","0.002","11.3182","0.0008","90","","91.019","0.001","90","","2162.7","0.3","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H28.5 Cl0.5 O3 -","- C27.5 H28.5 Cl0.5 O3 -","- C110 H114 Cl2 O12 -","4","1","","Iwase, Noriaki; Shigeno, Yuta; Wakabayashi, Takashi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Molecular recognition of a large bisphenol A derivative, α,α′-bis(4-hydroxyphenyl)-1,4-diisopropylbenzene, using p-benzoquinone derivatives","CrystEngComm","2014","16","2","159","","10.1039/c3ce41432a","","","0.71073","MoKα","","0.0857","0.0639","","","0.1277","0.1368","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213552","17.278","0.002","17.861","0.002","18.092","0.002","82.207","0.005","71.356","0.005","66.625","0.004","4855.8","1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H234 Cd2 Ce4 Cl14 N66 O107 -","- C96 H96 Cd2 Ce4 Cl14 N66 O62 -","- C96 H96 Cd2 Ce4 Cl14 N66 O62 -","1","0.5","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.0979","0.0679","","","0.1885","0.2087","","","","","","0.969","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213553","17.1436","0.0006","18.0998","0.0006","18.3169","0.0006","84.896","0.001","65.733","0.001","71.546","0.001","4909.4","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H240 Cd2 Cl14 N66 Nd4 O110 -","- C96 H96 Cd2 Cl14 N66 Nd4 O62 -","- C96 H96 Cd2 Cl14 N66 Nd4 O62 -","1","0.5","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.0777","0.0594","","","0.176","0.1934","","","","","","1.031","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213554","17.0632","0.001","18.0202","0.001","18.284","0.001","84.728","0.002","65.772","0.002","71.667","0.002","4862.1","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H250 Cd2 Cl14 N66 O115 Sm4 -","- C96 H96 Cd2 Cl14 N66 O62 Sm4 -","- C96 H96 Cd2 Cl14 N66 O62 Sm4 -","1","0.5","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.0878","0.0687","","","0.2066","0.2254","","","","","","1.126","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213555","17.0389","0.0017","17.9558","0.0017","18.3397","0.0019","84.823","0.004","65.727","0.004","71.616","0.004","4848.9","0.9","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H284 Cd2 Cl14 Eu4 N66 O132 -","- C96 H96 Cd2 Cl14 Eu4 N66 O62 -","- C96 H96 Cd2 Cl14 Eu4 N66 O62 -","1","0.5","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1313","0.1102","","","0.3205","0.3432","","","","","","1.251","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213556","28.3249","0.0019","28.3249","0.0019","21.949","0.003","90","","90","","90","","17610","3","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H229 Cl4 Gd N64 O98 -","- C96 H96 Cl4 Gd N64 O36 -","- C384 H384 Cl16 Gd4 N256 O144 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.125","0.0894","","","0.2683","0.2925","","","","","","1.055","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213557","28.3123","0.0019","28.3123","0.0019","21.934","0.003","90","","90","","90","","17582","3","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H235 Cl4 N64 O101 Tb -","- C96 H96 Cl4 N64 O36 Tb -","- C384 H384 Cl16 N256 O144 Tb4 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1109","0.0791","","","0.2312","0.2506","","","","","","1.038","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213558","28.464","0.004","28.464","0.004","21.992","0.003","90","","90","","90","","17818","4","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H239 Cl4 Ho N64 O103 -","- C96 H96 Cl4 Ho N64 O36 -","- C384 H384 Cl16 Ho4 N256 O144 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1202","0.0832","","","0.2333","0.2562","","","","","","0.992","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213559","28.44","0.003","28.44","0.003","22.01","0.005","90","","90","","90","","17802","5","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H241 Cl4 Er N64 O104 -","- C96 H96 Cl4 Er0.9998 N64 O36 -","- C384 H384 Cl16 Er3.9992 N256 O144 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1363","0.0752","","","0.2098","0.2323","","","","","","0.944","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213560","28.4011","0.0018","28.4011","0.0018","21.939","0.003","90","","90","","90","","17696","3","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H247 Cl4 N64 O107 Tm -","- C96 H96 Cl4 N64 O36 Tm -","- C384 H384 Cl16 N256 O144 Tm4 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.148","0.088","","","0.2448","0.2711","","","","","","0.967","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213561","28.388","0.003","28.388","0.003","22.036","0.005","90","","90","","90","","17758","5","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H237 Cl4 N64 O102 Yb -","- C96 H96 Cl4 N64 O36 Yb -","- C384 H384 Cl16 N256 O144 Yb4 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1579","0.0893","","","0.2612","0.2945","","","","","","0.948","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213562","28.3363","0.0019","28.3363","0.0019","21.928","0.003","90","","90","","90","","17607","3","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H241 Cl3.5 Lu N64 O104 -","- C96 H96 Cl4 Lu N64 O36 -","- C384 H384 Cl16 Lu4 N256 O144 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1176","0.0775","","","0.2289","0.2475","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213563","22.228","0.008","8.878","0.003","17.393","0.005","86.265","0.014","82.354","0.014","79.121","0.011","3337.9","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[di(2-pyridylmethyl)aminecopper(II)]-(μ~2~-1,2-bis(4-pyridyl)ethane) Tetraperchlorate Dihydrate","","- C36 H42 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","- C108 H114 Cl12 Cu6 N24 O54 -","3","1.5","","Massoud, Salah S.; Taylor, Eric; Liu, Yuemin; Grebowicz, Janusz; Vicente, Ramon; Lalancette, Roger; Mukhopadhyay, Udai; Bernal, Ivan; Watkins, Steven F.","Synthesis, structure, thermal, magnetic properties and quantum mechanical calculations of bridged [bis(di(2-methylpyridyl)amine)-(μ2-1,2-bis(4-pyridyl)ethane)-tetraperchlorato-dicopper(ii)] dihydrate complex","CrystEngComm","2014","16","2","175","","10.1039/c3ce41821a","","x-ray","0.7107","MoKα","","","0.0771","","","","0.2206","","","","","","1.047","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213564","8.529","0.004","8.617","0.004","17.434","0.011","86.31","0.04","81.71","0.03","62.9","0.02","1128.7","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis[di(2-pyridylmethyl)aminecopper(II)]-(μ~2~-1,2-bis(4-pyridyl)ethane) Tetraperchlorate Dihydrate","","- C36 H42 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","1","0.5","","Massoud, Salah S.; Taylor, Eric; Liu, Yuemin; Grebowicz, Janusz; Vicente, Ramon; Lalancette, Roger; Mukhopadhyay, Udai; Bernal, Ivan; Watkins, Steven F.","Synthesis, structure, thermal, magnetic properties and quantum mechanical calculations of bridged [bis(di(2-methylpyridyl)amine)-(μ2-1,2-bis(4-pyridyl)ethane)-tetraperchlorato-dicopper(ii)] dihydrate complex","CrystEngComm","2014","16","2","175","","10.1039/c3ce41821a","","x-ray","0.7107","MoKα","","","0.0904","","","","0.2443","","","","","","1.071","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213565","8.569","0.003","8.666","0.003","17.564","0.007","87.05","0.02","82","0.02","62.917","0.013","1149.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[di(2-pyridylmethyl)aminecopper(II)]-(μ~2~-1,2-bis(4-pyridyl)ethane) Tetraperchlorate Dihydrate","","- C36 H42 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","1","0.5","","Massoud, Salah S.; Taylor, Eric; Liu, Yuemin; Grebowicz, Janusz; Vicente, Ramon; Lalancette, Roger; Mukhopadhyay, Udai; Bernal, Ivan; Watkins, Steven F.","Synthesis, structure, thermal, magnetic properties and quantum mechanical calculations of bridged [bis(di(2-methylpyridyl)amine)-(μ2-1,2-bis(4-pyridyl)ethane)-tetraperchlorato-dicopper(ii)] dihydrate complex","CrystEngComm","2014","16","2","175","","10.1039/c3ce41821a","","x-ray","0.7107","MoKα","","","0.0484","","","","0.1261","","","","","","1.065","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213566","4.26162","0.00009","12.71748","0.00028","13.95174","0.00031","90","","98.2979","0.0009","90","","748.23","0.03","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 Br D5 I N -","- C5 Br D5 I N -","- C20 Br4 D20 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","powder diffraction","neutron","","neutron","","","","","","","","0.09156","","2.88","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213567","4.2564","0.0001","12.7251","0.0004","13.9443","0.0003","90","","98.358","0.002","90","","747.25","0.03","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","","","0.71073","MoKα","","0.0267","0.0251","","0.0647","0.0642","0.0647","","","","","","0.9808","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213568","4.3813","0.0002","12.6339","0.0005","14.1942","0.0004","90","","97.706","0.002","90","","778.59","0.05","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","","","0.71073","MoKα","","0.0455","0.0363","","0.1079","0.1009","0.1079","","","","","","1.0417","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213569","4.1628","0.0002","12.3376","0.0007","13.9514","0.0007","90","","95.073","0.004","90","","713.72","0.06","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C20 H20 Cl4 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","","","0.71073","MoKα","","0.027","0.0243","","0.0486","0.046","0.0486","","","","","","1.0147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213570","4.2746","0.0002","12.3214","0.0008","14.1019","0.0008","90","","94.883","0.004","90","","740.04","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C20 H20 Cl4 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","","","0.71073","MoKα","","0.0399","0.032","","0.0537","0.0482","0.0537","","","","","","1.0139","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213571","11.642","0.0009","4.6349","0.0004","18.8292","0.0018","90","","95.453","0.005","90","","1011.42","0.15","91","2","91","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(2-methoxybenzyl)-1,3,4-thiadiazole-2(3H)-thione","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0457","0.0335","","","0.0736","0.0795","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213572","8.6916","0.0007","13.2144","0.0011","8.9458","0.0007","90","","93.96","0.004","90","","1025.01","0.14","91","2","91","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(3-methoxybenzyl)-1,3,4-thiadiazole-2(3H)-thione","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0479","0.0398","","","0.0938","0.0993","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213573","7.5365","0.0003","5.5019","0.0003","24.9737","0.0012","90","","92.956","0.002","90","","1034.16","0.09","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(4-methoxybenzyl)-1,3,4-thiadiazole-2(3H)-thione","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0423","0.0364","","","0.0889","0.0933","","","","","","1.046","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213574","9.8668","0.0008","6.9888","0.0006","16.1978","0.0013","90","","98.855","0.004","90","","1103.64","0.16","92","2","92","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(2-methoxyphenethyl)-1,3,4-thiadiazole-2(3H)-thione","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0407","0.0335","","","0.0876","0.0924","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213575","7.8075","0.0008","11.2905","0.0013","13.2898","0.0018","88.359","0.007","80.741","0.006","73.514","0.006","1108.5","0.2","92","2","92","2","","","","","","","","5","P -1","-P 1","2","","5-(4-methoxyphenethyl)-1,3,4-thiadiazole-2(3H)-thione","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","2","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0788","0.0566","","","0.1502","0.1733","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213576","11.4959","0.0007","19.4686","0.0012","18.3104","0.0011","90","","105.464","0.001","90","","3949.7","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Mo5 N6 O22 P2 -","- C28 H32 Mo5 N6 O22 P2 -","- C112 H128 Mo20 N24 O88 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0165","0.0154","","","0.0394","0.0401","","","","","","0.93","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213577","11.1778","0.0007","11.1778","0.0007","27.641","0.0017","90","","90","","120","","2990.9","0.3","90","2","90","2","","","","","","","","6","P 32","P 32","145","","","","- C28 H30 Mo5 N6 O21 P2 -","- C28 H30 Mo5 N6 O21 P2 -","- C84 H90 Mo15 N18 O63 P6 -","3","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.035","0.0338","","","0.0902","0.0908","","","","","","1.049","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213578","23.327","0.003","21.115","0.003","9.7462","0.0014","90","","90","","90","","4800.5","1.1","90","2","90","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H35 Co Mo5 N6 O23 P2 -","- C38 H32 Co Mo5 N6 O23 P2 -","- C152 H128 Co4 Mo20 N24 O92 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0494","0.0395","","","0.0864","0.0903","","","","","","1.03","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213579","14.574","0.003","17.358","0.003","20.413","0.004","90","","90","","90","","5164","1.7","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H47 Co Mo5 N6 O28 P2 -","- C38 H44 Co Mo5 N6 O28 P2 -","- C152 H176 Co4 Mo20 N24 O112 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0478","0.0377","","","0.0735","0.0766","","","","","","0.973","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213580","13.0366","0.0013","13.0703","0.0013","20.989","0.002","76.271","0.003","85.514","0.003","60.541","0.003","3021.9","0.5","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H52 Cu2 Mo5 N8 O27 P2 -","- C48 H46 Cu2 Mo5 N8 O24 P2 -","- C96 H92 Cu4 Mo10 N16 O48 P4 -","2","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0678","0.0457","","","0.1376","0.1533","","","","","","1.041","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213581","13.4404","0.0014","21.237","0.002","18.1894","0.0014","90","","118.357","0.006","90","","4568.9","0.8","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cu2 Mo5 N4 O29 P2 -","- C32 H40 Cu2 Mo5 N4 O29 P2 -","- C128 H160 Cu8 Mo20 N16 O116 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0505","0.035","","","0.0743","0.0822","","","","","","1.108","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213582","53.884","0.003","9.5839","0.0005","18.7832","0.0009","90","","91.589","0.001","90","","9696.3","0.9","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cu2 Mo5 N4 O26 P3 -","- C36 H34 Cu2 Mo5 N4 O26 P3 -","- C288 H272 Cu16 Mo40 N32 O208 P24 -","8","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0476","0.0317","","","0.062","0.0661","","","","","","1.033","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213583","15.6642","0.0011","17.0366","0.0013","18.1045","0.0013","90","","110.366","0.001","90","","4529.4","0.6","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Mo5 N4 Ni O29 P2 -","- C28 H42 Mo5 N4 Ni O29 P2 -","- C112 H168 Mo20 N16 Ni4 O116 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0229","0.0183","","","0.0428","0.0448","","","","","","1.031","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213584","14.3824","0.0013","23.955","0.002","20.6777","0.0019","90","","100.325","0.002","90","","7008.7","1.1","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 Mo6 N12 Ni2 O33 P2 -","- C56 H56 Mo6 N12 Ni2 O33 P2 -","- C224 H224 Mo24 N48 Ni8 O132 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0909","0.0487","","","0.0981","0.1154","","","","","","0.943","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213585","24.135","0.004","11.8418","0.0018","20.308","0.003","90","","112.14","0.004","90","","5376.1","1.5","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Mo2 N3 Ni O15 P2 -","- C20 H22 Mo2 N3 Ni O15 P2 -","- C160 H176 Mo16 N24 Ni8 O120 P16 -","8","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0508","0.0428","","","0.1143","0.1189","","","","","","1.023","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213586","17.3753","0.0012","11.3661","0.0008","22.3579","0.0015","90","","103.118","0.001","90","","4300.2","0.5","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Mo5 N6 Ni2 O25 P2 -","- C28 H30 Mo5 N6 Ni2 O25 P2 -","- C112 H120 Mo20 N24 Ni8 O100 P8 -","4","0.5","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0442","0.0317","","","0.0636","0.0672","","","","","","1.033","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213587","10.9305","0.0012","12.2497","0.0014","16.2618","0.0018","85.669","0.002","76.269","0.002","66.823","0.002","1944.1","0.4","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H35 Cu2 F3 Mo2 N4 O16 P2 -","- C32 H34 Cu2 F3 Mo2 N4 O16 P2 -","- C64 H68 Cu4 F6 Mo4 N8 O32 P4 -","2","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0582","0.0411","","","0.1162","0.1279","","","","","","1.047","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213588","8.9981","0.0006","20.6917","0.0016","21.1555","0.0016","113.586","0.002","96.089","0.002","95.629","0.002","3546.5","0.5","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H56 Cu3 F7 Mo4 N9 O23 P4 -","- C61 H56 Cu3 F7 Mo4 N9 O23 P4 -","- C122 H112 Cu6 F14 Mo8 N18 O46 P8 -","2","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0605","0.0351","","","0.0633","0.0705","","","","","","1.007","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213589","8.562","0.002","19.809","0.005","13.219","0.003","90","","103.447","0.003","90","","2180.5","0.9","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Cu3 F2 Mo2 N4 O18 P4 -","- C36 H36 Cu3 F2 Mo2 N4 O18 P4 -","- C72 H72 Cu6 F4 Mo4 N8 O36 P8 -","2","0.5","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0573","0.0485","","","0.1262","0.1302","","","","","","1.062","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213590","6.309","0.0006","10.7274","0.0009","6.3907","0.0006","90","","90","","90","","432.52","0.07","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C3 H3 Br O2 -","- C3 H3 Br O2 -","- C12 H12 Br4 O8 -","4","0.5","","Deringer, Volker L.; Pan, Fangfang; George, Janine; Müller, Paul; Dronskowski, Richard; Englert, Ulli","Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory","CrystEngComm","2014","16","2","135","","10.1039/c3ce41779d","","","0.71073","MoKα","","0.0526","0.0384","","","0.0792","0.083","","","","","","0.999","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213591","6.503","0.013","10.85","0.02","6.429","0.013","90","","90","","90","","453.6","1.5","291","2","291","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C3 H3 Br O2 -","- C3 H3 Br O2 -","- C12 H12 Br4 O8 -","4","0.5","","Deringer, Volker L.; Pan, Fangfang; George, Janine; Müller, Paul; Dronskowski, Richard; Englert, Ulli","Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory","CrystEngComm","2014","16","2","135","","10.1039/c3ce41779d","","","0.71073","MoKα","","0.0212","0.019","","","0.0398","0.0406","","","","","","1.033","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213592","20.8479","0.0005","35.6759","0.0009","38.2974","0.0008","90","","92.107","0.002","90","","28465.1","1.2","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C26 H239 Fe6 Ge6 K9 N26 O282 Sm6 W60 -","- C12 H60 Fe6 Ge6 K9 N12 O282 Sm6 W60 -","- C48 H240 Fe24 Ge24 K36 N48 O1128 Sm24 W240 -","4","0.5","","Wang, Jun; Zhao, Jun-Wei; Zhao, Hai-Yan; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Syntheses, structures and properties of two multi-iron‒samarium/multi-iron substituted germanotungstates","CrystEngComm","2014","16","2","252","","10.1039/c3ce42023j","","","0.71073","MoKα","","0.0795","0.0491","","","0.1024","0.1127","","","","","","1.069","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213593","20.7644","0.0004","25.0049","0.0006","22.6513","0.0005","90","","100.729","0.002","90","","11555.2","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H87 Fe6 Ge3 K N12 O107 W24 -","- C2 H10 Fe6 Ge3 K N2 O104 W24 -","- C8 H40 Fe24 Ge12 K4 N8 O416 W96 -","4","1","","Wang, Jun; Zhao, Jun-Wei; Zhao, Hai-Yan; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Syntheses, structures and properties of two multi-iron‒samarium/multi-iron substituted germanotungstates","CrystEngComm","2014","16","2","252","","10.1039/c3ce42023j","","","0.71073","MoKα","","0.1123","0.0667","","","0.166","0.1867","","","","","","1.071","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213594","14.0054","0.0003","15.1789","0.0003","18.5649","0.0003","90","","94.108","0.002","90","","3936.51","0.13","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Ag2 Cd I2 N4 O11 -","- C36 H28 Ag2 Cd I2 N4 O11 -","- C144 H112 Ag8 Cd4 I8 N16 O44 -","4","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0566","0.0398","","","0.0758","0.0806","","","","","","1.082","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213595","15.794","0.0005","13.4071","0.0006","17.8147","0.0008","90","","93.021","0.003","90","","3767.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 Ag2 Cd I2 N4 O9 -","- C40 H24 Ag2 Cd I2 N4 O9 -","- C160 H96 Ag8 Cd4 I8 N16 O36 -","4","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0831","0.0675","","","0.1563","0.1624","","","","","","1.061","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213596","26.099","0.0017","8.7015","0.0003","15.0839","0.0009","90","","116.468","0.008","90","","3066.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag2 I N O4 -","- C14 H10 Ag2 I N O4 -","- C112 H80 Ag16 I8 N8 O32 -","8","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0475","0.0387","","","0.0882","0.0928","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213597","9.2367","0.0009","9.3456","0.0008","13.4445","0.0011","88.897","0.007","71.282","0.008","67.893","0.008","1011.53","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Ag2 I N2 O4 -","- C20 H15 Ag2 I N2 O4 -","- C40 H30 Ag4 I2 N4 O8 -","2","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0466","0.0332","","","0.0665","0.0717","","","","","","1.001","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213598","11.2576","0.0004","12.6293","0.0004","16.9504","0.0005","102.542","0.003","93.087","0.003","106.942","0.003","2232.56","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34 Ag4 I2 N8 O8 -","- C44 H34 Ag4 I2 N8 O8 -","- C88 H68 Ag8 I4 N16 O16 -","2","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0629","0.0453","","","0.1092","0.1176","","","","","","1.004","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213599","24.461","0.006","12.134","0.003","14.921","0.004","90","","114.525","0.004","90","","4029.1","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 Dy N19 O17 -","- C24 H48 Dy N19 O17 -","- C96 H192 Dy4 N76 O68 -","4","0.5","","Liu, Qing-Yan; Li, Yi-Lei; Xiong, Wei-Lu; Wang, Yu-Ling; Luo, Feng; Liu, Cai-Ming; Chen, Li-Li","Urothermal synthesis of mononuclear lanthanide compounds: slow magnetization relaxation observed in Dy analogue","CrystEngComm","2014","16","4","585","","10.1039/c3ce41762j","","","0.71073","MoKα","","0.0333","0.0312","","","0.0832","0.0864","","","","","","1.003","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213600","24.3791","0.0012","12.1598","0.0006","14.82","0.0007","90","","114.394","0.001","90","","4001.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 N19 O17 Tb -","- C24 H48 N19 O17 Tb -","- C96 H192 N76 O68 Tb4 -","4","0.5","","Liu, Qing-Yan; Li, Yi-Lei; Xiong, Wei-Lu; Wang, Yu-Ling; Luo, Feng; Liu, Cai-Ming; Chen, Li-Li","Urothermal synthesis of mononuclear lanthanide compounds: slow magnetization relaxation observed in Dy analogue","CrystEngComm","2014","16","4","585","","10.1039/c3ce41762j","","","0.71073","MoKα","","0.0381","0.034","","","0.0908","0.0965","","","","","","1","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213601","7.392","0.0002","10.792","0.0003","11.641","0.0004","80.286","0.001","88.272","0.001","77.08","0.001","892.14","0.05","113","2","113","2","","","","","","","","6","P -1","-P 1","2","1","","","- C10 H14 Ag2 Cl2 N2 O12 -","- C10 H14 Ag2 Cl2 N2 O12 -","- C20 H28 Ag4 Cl4 N4 O24 -","2","1","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.022","0.0211","","","0.0547","0.0553","","","","","","1.023","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213602","21.9957","0.0002","21.9957","0.0002","14.0739","0.0001","90","","90","","120","","5896.86","0.09","120","2","120","2","","","","","","","","6","R 3 :H","R 3","146","2","","","- C20 H20 Ag2 Cl2 N4 O12 -","- C20 H20 Ag2 Cl2 N4 O12 -","- C180 H180 Ag18 Cl18 N36 O108 -","9","1","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.0215","0.0203","","","0.0504","0.0512","","","","","","1.158","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213603","13.3014","0.0003","13.3014","0.0003","5.9918","0.0002","90","","90","","120","","918.08","0.04","120","2","120","2","","","","","","","","6","P 63/m","-P 6c","176","3","","","- C15 H15 Ag Cl N3 O8 -","- C15 H15 Ag Cl N3 O8 -","- C30 H30 Ag2 Cl2 N6 O16 -","2","0.166667","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.0454","0.0412","","","0.1019","0.1051","","","","","","1.169","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213604","8.26718","0.00008","10.26639","0.00013","11.74637","0.00013","86.5046","0.001","81.1991","0.0009","88.269","0.0009","983.171","0.019","120","2","120","2","","","","","","","","7","P -1","-P 1","2","4","","","- C12 H10 Ag2 F6 N2 O8 S2 -","- C12 H10 Ag2 F6 N2 O8 S2 -","- C24 H20 Ag4 F12 N4 O16 S4 -","2","1","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.0239","0.0206","","","0.0476","0.05","","","","","","1.095","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213605","7.5719","0.0004","7.8718","0.0004","9.8803","0.0006","104.448","0.005","108.242","0.005","96.225","0.004","530.37","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C20 H23 N3 O6 S2 -","- C20 H23 N3 O6 S2 -","- C20 H23 N3 O6 S2 -","1","1","","Dai, Yiqiang; Tan, Jifeng; Ye, Ning; Yang, Zhou","Synthesis and crystal growth of thienyl-substituted pyridinium derivatives for second-order nonlinear optics","CrystEngComm","2014","16","4","636","","10.1039/c3ce41938j","","","0.7107","MoKα","","0.0285","0.0274","","","0.0678","0.0687","","","","","","1.032","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213606","8.765","0.003","10.24","0.004","12.354","0.005","103.59","0.005","104.227","0.006","91.636","0.004","1040.3","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N2 O3 S2 -","- C22 H26 N2 O3 S2 -","- C44 H52 N4 O6 S4 -","2","1","","Dai, Yiqiang; Tan, Jifeng; Ye, Ning; Yang, Zhou","Synthesis and crystal growth of thienyl-substituted pyridinium derivatives for second-order nonlinear optics","CrystEngComm","2014","16","4","636","","10.1039/c3ce41938j","","","0.71073","MoKα","","0.0606","0.0558","","","0.135","0.1383","","","","","","1.152","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213607","12.0822","0.0008","23.676","0.0016","29.4806","0.0019","90","","90","","90","","8433.2","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H28 N4 O4 Zn -","- C37 H28 N4 O4 Zn -","- C296 H224 N32 O32 Zn8 -","8","1","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0961","0.0707","","","0.1843","0.1966","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213608","13.749","0.0012","17.0006","0.0015","13.165","0.0011","90","","93.109","0.001","90","","3072.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H26 Cd N4 O4 -","- C37 H26 Cd N4 O4 -","- C148 H104 Cd4 N16 O16 -","4","0.5","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0539","0.0446","","","0.1","0.1034","","","","","","0.954","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213609","11.9824","0.0013","32.547","0.004","10.7535","0.0012","90","","98.598","0.002","90","","4146.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 Cd N4 O5 -","- C47 H32 Cd N4 O5 -","- C188 H128 Cd4 N16 O20 -","4","1","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0736","0.0653","","","0.1736","0.1797","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213610","11.6417","0.0011","32.11","0.003","10.837","0.0011","90","","98.525","0.002","90","","4006.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 Co N4 O5 -","- C47 H32 Co N4 O5 -","- C188 H128 Co4 N16 O20 -","4","1","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0655","0.0523","","","0.1324","0.1401","","","","","","0.953","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213611","19.407","0.007","13.628","0.005","16.307","0.006","90","","90","","90","","4313","3","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C50 H32 F6 N4 O4 Zn -","- C50 H32 F6 N4 O4 Zn -","- C200 H128 F24 N16 O16 Zn4 -","4","0.5","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0825","0.0637","","","0.1809","0.2015","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213612","19.414","0.004","13.605","0.002","16.216","0.003","90","","90","","90","","4283.1","1.3","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C50 H32 Co F6 N4 O4 -","- C50 H32 Co F6 N4 O4 -","- C200 H128 Co4 F24 N16 O16 -","4","0.5","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.079","0.0454","","","0.1107","0.1246","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213613","17.6223","0.0008","6.783","0.0005","11.4011","0.0005","90","","90","","90","","1362.8","0.13","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H15 N O8 S -","- C10 H15 N O8 S -","- C40 H60 N4 O32 S4 -","4","0.5","","Nowak, Anna M.; Kurc, Teresa; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis and structural analysis of alkylammonium sulfoisophthalates: cation size and geometry effects on the hydrogen bonded network","CrystEngComm","2014","16","4","591","","10.1039/c3ce41526k","","","0.71073","MoKα","","0.1686","0.0621","","","0.0933","0.1153","","","","","","1.006","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213614","12.235","0.002","8.073","0.001","15.736","0.003","90","","105.62","0.01","90","","1496.9","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N O7 S -","- C12 H17 N O7 S -","- C48 H68 N4 O28 S4 -","4","1","","Nowak, Anna M.; Kurc, Teresa; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis and structural analysis of alkylammonium sulfoisophthalates: cation size and geometry effects on the hydrogen bonded network","CrystEngComm","2014","16","4","591","","10.1039/c3ce41526k","","","0.71073","MoKα","","0.0521","0.0347","","","0.0968","0.1202","","","","","","1.013","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213615","13.1122","0.0003","9.5655","0.0002","14.8057","0.0005","90","","105.892","0.003","90","","1786.03","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N O8 S -","- C14 H23 N O8 S -","- C56 H92 N4 O32 S4 -","4","1","","Nowak, Anna M.; Kurc, Teresa; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis and structural analysis of alkylammonium sulfoisophthalates: cation size and geometry effects on the hydrogen bonded network","CrystEngComm","2014","16","4","591","","10.1039/c3ce41526k","","","0.71073","MoKα","","0.0825","0.0377","","","0.0722","0.098","","","","","","1.001","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213616","11.9085","0.0014","17.017","0.002","17.936","0.002","74.992","0.002","90.255","0.002","88.732","0.002","3509.6","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H42 Cu7 N14 Nd3 O22 -","- C58 H42 Cu7 N14 Nd3 O22 -","- C116 H84 Cu14 N28 Nd6 O44 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.071","0.0454","","","0.0783","0.0867","","","","","","1.082","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213617","11.8797","0.0008","17.3366","0.0012","17.9107","0.0013","74.332","0.001","88.418","0.001","86.236","0.001","3543.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Cu7 Eu3 N14 O23 -","- C58 H44 Cu7 Eu3 N14 O23 -","- C116 H88 Cu14 Eu6 N28 O46 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0433","0.0343","","","0.0792","0.084","","","","","","1.019","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213618","11.8653","0.0011","17.36","0.0016","17.9132","0.0016","74.368","0.001","88.417","0.001","86.158","0.001","3545.2","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Cu7 Gd3 N14 O23 -","- C58 H44 Cu7 Gd3 N14 O23 -","- C116 H88 Cu14 Gd6 N28 O46 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0457","0.036","","","0.0843","0.0896","","","","","","1.05","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213619","11.8612","0.0004","17.3255","0.0005","17.9096","0.0005","74.402","0.002","88.414","0.002","86.095","0.002","3536.5","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Cu7 N14 O23 Tb3 -","- C58 H44 Cu7 N14 O23 Tb3 -","- C116 H88 Cu14 N28 O46 Tb6 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0377","0.0277","","","0.056","0.0601","","","","","","0.993","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213620","11.83","0.0008","17.3115","0.0011","17.8851","0.0012","74.425","0.001","88.424","0.001","86.063","0.001","3519.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Cu7 Dy3 N14 O23 -","- C58 H44 Cu7 Dy3 N14 O23 -","- C116 H88 Cu14 Dy6 N28 O46 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0533","0.0389","","","0.0796","0.0867","","","","","","1.078","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213621","9.896","0.002","16.21","0.004","18.443","0.004","92.002","0.003","103.58","0.003","92.51","0.003","2869.9","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H88 Cl6 Cu13 N19 O44 Tb4 -","- C89 H88 Cl6 Cu13.001 N19 O44 Tb4 -","- C89 H88 Cl6 Cu13.001 N19 O44 Tb4 -","1","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0647","0.0462","","","0.0844","0.0911","","","","","","1.09","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213622","9.914","0.002","16.143","0.003","18.407","0.004","92.009","0.002","103.583","0.002","91.941","0.002","2859","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H88 Cl6 Cu13 Dy4 N19 O44 -","- C89 H88 Cl6 Cu13 Dy4 N19 O44 -","- C89 H88 Cl6 Cu13 Dy4 N19 O44 -","1","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0638","0.0463","","","0.1039","0.1133","","","","","","1.082","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213623","37.632","0.004","7.7785","0.0007","17.7721","0.0017","90","","97.212","0.001","90","","5161.1","0.9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 Cu5 F5 N10 O17 S Tb4 -","- C40 H26 Cu5 F5 N10 O17 S Tb4 -","- C160 H104 Cu20 F20 N40 O68 S4 Tb16 -","4","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0353","0.0293","","","0.0686","0.0718","","","","","","1.041","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213624","37.632","0.004","7.7785","0.0007","17.7721","0.0017","90","","97.212","0.001","90","","5161.1","0.9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 Cu5 Dy4 F5 N10 O17 S -","- C40 H26 Cu5 Dy4 F5 N10 O17 S -","- C160 H104 Cu20 Dy16 F20 N40 O68 S4 -","4","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0417","0.036","","","0.0901","0.0948","","","","","","1.033","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213625","11.7096","0.0009","12.7197","0.001","18.5102","0.0015","108.956","0.001","95.649","0.001","97.916","0.001","2552.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H68 Cu9 N19 O38 Tb6 -","- C87 H68 Cu9 N19 O38 Tb6 -","- C87 H68 Cu9 N19 O38 Tb6 -","1","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0414","0.032","","","0.072","0.0767","","","","","","1.05","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213626","11.7096","0.0009","12.7197","0.001","18.5102","0.0015","108.956","0.001","95.649","0.001","97.916","0.001","2552.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H68 Cu9 Dy6 N19 O38 -","- C87 H68 Cu9 Dy6 N19 O38 -","- C87 H68 Cu9 Dy6 N19 O38 -","1","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0469","0.0354","","","0.0786","0.0848","","","","","","1.03","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213627","17.8782","0.001","30.743","0.0018","9.0004","0.0005","90","","104.069","0.001","90","","4798.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H31 Cu5 N10 O16 Tb2 -","- C42 H31 Cu5 N10 O16 Tb2 -","- C168 H124 Cu20 N40 O64 Tb8 -","4","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0385","0.0274","","","0.0539","0.0579","","","","","","1.034","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213628","17.857","0.004","30.693","0.007","8.995","0.002","90","","104.064","0.003","90","","4782.2","1.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H31 Cu5 Dy2 N10 O16 -","- C42 H31 Cu5 Dy2 N10 O16 -","- C168 H124 Cu20 Dy8 N40 O64 -","4","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0551","0.0413","","","0.0819","0.0873","","","","","","1.077","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213629","10.5187","0.0003","9.635","0.0003","15.331","0.0004","90","","102.261","0.002","90","","1518.32","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N14 Ni O4 S2 -","- C28 H20 N14 Ni O4 S2 -","- C56 H40 N28 Ni2 O8 S4 -","2","0.5","","Saha, Sandeepta; Sasmal, Ashok; Pilet, Guillaume; Bauzá, Antonio; Frontera, Antonio; Mitra, Samiran","An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(ii) and Co(ii) complexes with the α,ω-bis(benzotriazoloxy)alkane system","CrystEngComm","2014","16","4","654","","10.1039/c3ce41765d","","","0.71073","MoKα","","0.063","0.0393","","","0.0797","0.0861","","","","","","1.062","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213630","9.6417","0.0006","10.264","0.0006","11.8286","0.0006","66.695","0.006","67.466","0.005","64.424","0.006","937.31","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 N14 Ni O4 S2 -","- C32 H28 N14 Ni O4 S2 -","- C32 H28 N14 Ni O4 S2 -","1","0.5","","Saha, Sandeepta; Sasmal, Ashok; Pilet, Guillaume; Bauzá, Antonio; Frontera, Antonio; Mitra, Samiran","An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(ii) and Co(ii) complexes with the α,ω-bis(benzotriazoloxy)alkane system","CrystEngComm","2014","16","4","654","","10.1039/c3ce41765d","","","0.71073","MoKα","","0.0542","0.0398","","0.0619","0.0486","0.046","","","","","","1.0813","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213631","10.9405","0.0003","25.4462","0.0006","13.6306","0.0004","90","","95.718","0.002","90","","3775.8","0.18","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Co N14 O4 S2 -","- C34 H32 Co N14 O4 S2 -","- C136 H128 Co4 N56 O16 S8 -","4","0.5","","Saha, Sandeepta; Sasmal, Ashok; Pilet, Guillaume; Bauzá, Antonio; Frontera, Antonio; Mitra, Samiran","An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(ii) and Co(ii) complexes with the α,ω-bis(benzotriazoloxy)alkane system","CrystEngComm","2014","16","4","654","","10.1039/c3ce41765d","","","0.71073","MoKα","","0.061","0.0485","","0.0526","0.0505","0.0503","","","","","","1.0977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213632","8.9041","0.0008","11.5928","0.0007","14.2517","0.001","71.388","0.006","81.39","0.007","88.826","0.006","1377.88","0.19","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H6 Ag5 F12 N3 O9 -","- C17 H6 Ag5 F12 N3 O9 -","- C34 H12 Ag10 F24 N6 O18 -","2","1","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.062","0.0511","","","0.1309","0.138","","","","","","1.065","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213633","16.0991","0.0016","8.8039","0.001","23.399","0.003","90","","120.917","0.007","90","","2845.2","0.6","296","","296","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C17 H8 Ag5 F12 N3 O10 -","- C17 H8 Ag5 F12 N3 O10 -","- C68 H32 Ag20 F48 N12 O40 -","4","1","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.151","0.0884","","","0.1675","0.1955","","","","","","1.006","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213634","8.0193","0.0016","24.904","0.005","26.491","0.005","90","","93.01","0.03","90","","5283.3","1.8","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H46 Ag14 F30 N4 O27 S4 -","- C83 H46 Ag14 F30 N4 O27 S4 -","- C166 H92 Ag28 F60 N8 O54 S8 -","2","0.5","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.117","0.0988","","","0.2915","0.3087","","","","","","1.116","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213635","15.346","0.003","24.558","0.005","22.739","0.005","90","","109.46","0.03","90","","8080","3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C70 H58 Ag9 N9 O22 S7 -","- C70 H58 Ag9 N9 O22 S7 -","- C280 H232 Ag36 N36 O88 S28 -","4","1","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.0827","0.0763","","","0.2095","0.2161","","","","","","1.081","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213636","7.5491","0.0005","8.7078","0.0005","10.824","0.0007","106.654","0.001","102.66","0.001","94.38","0.001","657.69","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 Eu N O10 -","- C9 H12 Eu N O10 -","- C18 H24 Eu2 N2 O20 -","2","1","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.015","0.0143","","","0.0361","0.0365","","","","","","1.046","","","","has coordinates,has disorder","194002","2020-10-21","18:00:00",""
"7213637","7.569","","8.766","","10.893","","106.6","","102.73","","94.14","","668.503","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 Gd N O10 -","- C9 H10 Gd N O10 -","- C18 H20 Gd2 N2 O20 -","2","1","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.032","0.0316","","","0.09","0.0903","","","","","","1.106","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213638","7.481","0.003","8.648","0.004","10.771","0.004","106.586","0.004","102.53","0.004","94.388","0.004","644.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N O9 Tb -","- C9 H10 N O9 Tb -","- C18 H20 N2 O18 Tb2 -","2","1","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.0398","0.0383","","","0.1014","0.1027","","","","","","1.041","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213639","7.4292","0.0009","8.6094","0.0011","10.7126","0.0013","106.552","0.001","102.334","0.001","94.421","0.001","634.64","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Ho2 N2 O18 -","- C18 H20 Ho2 N2 O18 -","- C18 H20 Ho2 N2 O18 -","1","0.5","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.0685","0.0602","","","0.1573","0.1652","","","","","","1.055","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213640","7.5714","0.001","8.7324","0.0012","10.8446","0.0015","106.671","0.001","102.674","0.001","94.37","0.001","662.67","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N O9 Sm -","- C9 H10 N O9 Sm -","- C18 H20 N2 O18 Sm2 -","2","1","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.0152","0.015","","","0.0388","0.0389","","","","","","1.071","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213641","7.2339","0.0004","22.332","0.0014","23.4396","0.0013","90","","90","","90","","3786.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Ba Cd N O14 -","- C32 H30 Ba Cd N O14 -","- C128 H120 Ba4 Cd4 N4 O56 -","4","1","","Zhang, Huabin; Lin, Ping; Shan, Xiaochen; Han, Liwei; Du, Shaowu","Absolute helicity induction: chiral information transfer from metal centre to the framework","CrystEngComm","2014","16","7","1245","","10.1039/c3ce42157k","","","0.71073","MoKα","","0.0381","0.0367","","","0.112","0.1142","","","","","","1.108","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7213642","7.2243","0.0006","22.315","0.002","23.376","0.002","90","","90","","90","","3768.5","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Ba Cd N O14 -","- C32 H30 Ba Cd N O14 -","- C128 H120 Ba4 Cd4 N4 O56 -","4","1","","Zhang, Huabin; Lin, Ping; Shan, Xiaochen; Han, Liwei; Du, Shaowu","Absolute helicity induction: chiral information transfer from metal centre to the framework","CrystEngComm","2014","16","7","1245","","10.1039/c3ce42157k","","","0.71073","MoKα","","0.0693","0.0585","","","0.1708","0.1822","","","","","","0.927","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213643","12.1624","0.0009","13.1051","0.0013","17.8595","0.0016","106.905","0.005","94.129","0.002","97.344","0.004","2683.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 Co2 N6 O15 S2 -","- C52 H52 Co2 N6 O15 S2 -","- C104 H104 Co4 N12 O30 S4 -","2","1","","Bu, Yang; Jiang, Feilong; Zhou, Kang; Gai, Yanli; Hong, Maochun","From 3D interpenetrated polythreading to 3D non-interpenetrated polythreading: SBU modulation in a dual-ligand system","CrystEngComm","2014","16","7","1249","","10.1039/c3ce42050g","","","0.71073","MoKα","","0.0635","0.0434","","","0.1164","0.1831","","","","","","1","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213644","11.6947","0.0002","12.879","0.0003","17.9851","0.0003","82.552","0.002","71.924","0.002","72.78","0.002","2457.59","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 Cd2 N6 O12 S2 -","- C52 H46 Cd2 N6 O12 S2 -","- C104 H92 Cd4 N12 O24 S4 -","2","1","","Bu, Yang; Jiang, Feilong; Zhou, Kang; Gai, Yanli; Hong, Maochun","From 3D interpenetrated polythreading to 3D non-interpenetrated polythreading: SBU modulation in a dual-ligand system","CrystEngComm","2014","16","7","1249","","10.1039/c3ce42050g","","","0.71073","MoKα","","0.0294","0.024","","","0.0543","0.058","","","","","","1","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213645","11.439","0.005","14.807","0.005","19.751","0.005","82.658","0.005","86.874","0.005","76.935","0.005","3231","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H85 Dy Mn3 N6 Na O23 -","- C56 H85 Dy Mn3 N6 Na O23 -","- C112 H170 Dy2 Mn6 N12 Na2 O46 -","2","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Kundu, Subrata","Syntheses and structures of a family of heterometallic pentanuclear [MnIII3LnNa] (Ln = Dy, Tb, Gd and Nd) complexes: H-bonding reduces the nuclearity from nine to five","CrystEngComm","2014","16","7","1304","","10.1039/c3ce41863d","","","0.71069","MoKα","","0.0926","0.0713","","","0.1915","0.2127","","","","","","1.052","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213646","11.455","0.005","14.841","0.005","19.776","0.005","82.715","0.005","87.032","0.005","76.958","0.005","3248","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H85 Mn3 N6 Na O23 Tb -","- C56 H85 Mn3 N6 Na O23 Tb -","- C112 H170 Mn6 N12 Na2 O46 Tb2 -","2","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Kundu, Subrata","Syntheses and structures of a family of heterometallic pentanuclear [MnIII3LnNa] (Ln = Dy, Tb, Gd and Nd) complexes: H-bonding reduces the nuclearity from nine to five","CrystEngComm","2014","16","7","1304","","10.1039/c3ce41863d","","","0.71069","MoKα","","0.0716","0.0587","","","0.1536","0.1676","","","","","","1.041","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213647","11.405","0.005","14.776","0.005","19.775","0.005","82.63","0.005","86.886","0.005","76.901","0.005","3218","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H85 Gd Mn3 N6 Na O23 -","- C56 H85 Gd Mn3 N6 Na O23 -","- C112 H170 Gd2 Mn6 N12 Na2 O46 -","2","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Kundu, Subrata","Syntheses and structures of a family of heterometallic pentanuclear [MnIII3LnNa] (Ln = Dy, Tb, Gd and Nd) complexes: H-bonding reduces the nuclearity from nine to five","CrystEngComm","2014","16","7","1304","","10.1039/c3ce41863d","","","0.71069","MoKα","","0.1473","0.0966","","","0.242","0.2829","","","","","","1.039","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213648","11.45","0.005","14.85","0.005","19.884","0.005","82.488","0.005","86.821","0.005","76.78","0.005","3262","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H85 Mn3 N6 Na Nd O23 -","- C56 H85 Mn3 N6 Na Nd O23 -","- C112 H170 Mn6 N12 Na2 Nd2 O46 -","2","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Kundu, Subrata","Syntheses and structures of a family of heterometallic pentanuclear [MnIII3LnNa] (Ln = Dy, Tb, Gd and Nd) complexes: H-bonding reduces the nuclearity from nine to five","CrystEngComm","2014","16","7","1304","","10.1039/c3ce41863d","","","0.71069","MoKα","","0.1275","0.0818","","","0.2346","0.2757","","","","","","1.102","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213649","36.831","0.003","6.1181","0.0004","12.2456","0.0012","90","","99.224","0.007","90","","2723.7","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N2 -","- C34 H32 N2 -","- C136 H128 N8 -","4","0.5","","Bastien, Guillaume; Lemouchi, Cyprien; Allain, Magali; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Iliopoulos, Konstantinos; Gindre, Denis; Chrysos, Michael; Batail, Patrick","Changing gears to neutral in a polymorph of one-dimensional arrays of cogwheel-like pairs of molecular rotors","CrystEngComm","2014","16","7","1241","","10.1039/c3ce42054j","","x-ray","0.71073","MoKα","","0.1565","0.059","","","0.1181","0.1512","","","","","","1.029","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213650","11.8637","0.0016","13.8353","0.0018","14.0619","0.0018","111.781","0.001","113.229","0.001","92.745","0.002","1917.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 N6 Ni O14 -","- C40 H36 N6 Ni O14 -","- C80 H72 N12 Ni2 O28 -","2","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Zarghami, Sara; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.; Habibi, Morteza; Shamsipur, Mojtaba","Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking","CrystEngComm","2014","16","7","1359","","10.1039/c3ce41730a","","","0.71073","MoKα","","0.0487","0.0416","","","0.104","0.1105","","","","","","1.031","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213651","10.574","0.003","23.672","0.006","14.903","0.004","90","","104.379","0.003","90","","3613.5","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Co N6 O13 -","- C40 H34 Co N6 O13 -","- C160 H136 Co4 N24 O52 -","4","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Zarghami, Sara; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.; Habibi, Morteza; Shamsipur, Mojtaba","Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking","CrystEngComm","2014","16","7","1359","","10.1039/c3ce41730a","","","0.71073","MoKα","","0.0485","0.035","","","0.0838","0.0924","","","","","","1.023","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213652","7.8867","0.0012","11.0204","0.0017","16.859","0.003","84.453","0.002","89.358","0.002","75.087","0.002","1409.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 Cr N4 O14 -","- C27 H20.962 Cr N4 O14 -","- C54 H41.924 Cr2 N8 O28 -","2","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Zarghami, Sara; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.; Habibi, Morteza; Shamsipur, Mojtaba","Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking","CrystEngComm","2014","16","7","1359","","10.1039/c3ce41730a","","","0.71073","MoKα","","0.0666","0.0573","","","0.1532","0.163","","","","","","1.058","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213653","12.058","0.0012","13.9067","0.0014","14.0032","0.0015","111.967","0.001","115.126","0.001","94.003","0.002","1897.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cd N6 O14 -","- C40 H36 Cd N6 O14 -","- C80 H72 Cd2 N12 O28 -","2","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Zarghami, Sara; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.; Habibi, Morteza; Shamsipur, Mojtaba","Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking","CrystEngComm","2014","16","7","1359","","10.1039/c3ce41730a","","","0.71073","MoKα","","0.0337","0.0318","","","0.086","0.0874","","","","","","1.084","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213654","11.2796","0.0005","16.9872","0.0008","33.1264","0.0017","90","","92.11","0.004","90","","6343","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co4(N3)4(PTA)3(4-CV)2]n.2nH2O","","","- C60 H44 Co4 N18 O14 -","- C60 H40 Co4 N18 O14 -","- C240 H160 Co16 N72 O56 -","4","0.5","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Xiao, Yu; Li, Rong; Guo, Guo-Cong","Assembly of Co(ii)/Cu(ii)‒azido polynuclear polymers: structural diversity and magnetic behavior","CrystEngComm","2014","16","10","2009","","10.1039/c3ce42130a","","","0.71073","MoKα","","0.0566","0.0494","","","0.1519","0.1584","","","","","","1.063","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213655","11.2319","0.0009","17.004","0.0013","33.097","0.003","90","","95.524","0.006","90","","6291.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co4(N3)4(PTA)3(3-CV)2]n.nH2O","","","- C60 H42 Co4 N18 O13 -","- C60 H40 Co4 N18 O13 -","- C240 H160 Co16 N72 O52 -","4","0.5","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Xiao, Yu; Li, Rong; Guo, Guo-Cong","Assembly of Co(ii)/Cu(ii)‒azido polynuclear polymers: structural diversity and magnetic behavior","CrystEngComm","2014","16","10","2009","","10.1039/c3ce42130a","","","0.71073","MoKα","","0.0706","0.0566","","","0.1163","0.1234","","","","","","1.1","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213656","8.6131","0.0009","13.4894","0.0013","22.967","0.003","90","","97.547","0.007","90","","2645.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Cu6(N3)14(4-CV)2]n","","","- C36 H28 Cu6 N48 -","- C36 H28 Cu6 N48 -","- C72 H56 Cu12 N96 -","2","0.5","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Xiao, Yu; Li, Rong; Guo, Guo-Cong","Assembly of Co(ii)/Cu(ii)‒azido polynuclear polymers: structural diversity and magnetic behavior","CrystEngComm","2014","16","10","2009","","10.1039/c3ce42130a","","","0.71073","MoKα","","0.0774","0.0637","","","0.1589","0.1685","","","","","","1.054","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213657","8.3731","0.0017","8.4927","0.0017","13.562","0.003","90.66","0.03","98.89","0.03","110.09","0.03","892.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Mn2 N8 O7 -","- C13 H12 Mn2 N8 O7 -","- C26 H24 Mn4 N16 O14 -","2","1","","Wang, Lei; Zhao, Rui; Xu, Long-Yang; Liu, Ting; Zhao, Jiong-Peng; Wang, Shi-Ming; Liu, Fu-Chen","The synthesis, structure, and magnetic properties of two novel manganese(ii) azido/formate coordination polymers with isonicotinic acid N-oxide as a coligand","CrystEngComm","2014","16","10","2070","","10.1039/c3ce42158a","","","0.71073","MoKα","","0.0661","0.0525","","","0.1121","0.1179","","","","","","1.129","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213658","24.124","0.003","24.124","0.003","7.4767","0.0015","90","","90","","120","","3768.2","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7 H5 Mn N O5 -","- C7 H5 Mn N O5 -","- C126 H90 Mn18 N18 O90 -","18","1","","Wang, Lei; Zhao, Rui; Xu, Long-Yang; Liu, Ting; Zhao, Jiong-Peng; Wang, Shi-Ming; Liu, Fu-Chen","The synthesis, structure, and magnetic properties of two novel manganese(ii) azido/formate coordination polymers with isonicotinic acid N-oxide as a coligand","CrystEngComm","2014","16","10","2070","","10.1039/c3ce42158a","","","0.71073","MoKα","","0.0629","0.0469","","","0.0779","0.0823","","","","","","1.155","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213659","8.0959","0.0004","18.776","0.001","7.9719","0.0004","90","","111.19","0.003","90","","1129.86","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Li O6 -","- C12 H11 Li O6 -","- C48 H44 Li4 O24 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0533","0.0418","","","0.1164","0.1267","","","","","","1.042","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213660","18.2186","0.0006","18.2186","0.0006","8.688","0.0003","90","","90","","120","","2497.36","0.14","295","2","295","2","","","","","","","","5","P 65","P 65","170","","","","- C15 H13 N Na2 O5 -","- C15 H13 N Na2 O5 -","- C90 H78 N6 Na12 O30 -","6","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0788","0.0491","","","0.1173","0.132","","","","","","1.06","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7213661","14.7579","0.0002","30.9679","0.0004","11.3786","0.0002","90","","90","","90","","5200.26","0.13","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H17 Mg2 O11 -","- C24 H17 Mg2 O11 -","- C192 H136 Mg16 O88 -","8","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0987","0.0647","","","0.1748","0.1906","","","","","","1.052","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213662","6.7017","0.0001","14.3958","0.0003","14.9405","0.0003","90","","90","","90","","1441.4","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Ca N O5 -","- C15 H13 Ca N O5 -","- C60 H52 Ca4 N4 O20 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0349","0.0302","","","0.0687","0.0714","","","","","","1.024","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213663","6.8883","0.0001","14.7074","0.0002","14.981","0.0002","90","","90","","90","","1517.71","0.04","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O5 Sr -","- C15 H13 N O5 Sr -","- C60 H52 N4 O20 Sr4 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.028","0.0257","","","0.0757","0.0772","","","","","","1.05","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213664","7.1269","0.0003","14.6724","0.0006","15.0027","0.0005","90","","90","","90","","1568.81","0.11","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Ba N O5 -","- C15 H13 Ba N O5 -","- C60 H52 Ba4 N4 O20 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0316","0.0273","","","0.0498","0.0512","","","","","","1.012","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213665","10.944","0.0003","65.6499","0.0013","11.2294","0.0003","90","","110.447","0.003","90","","7559.7","0.4","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H50 Br6 N12 O14 -","- C82 H50 Br6 N12 O14 -","- C328 H200 Br24 N48 O56 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","0.71073","MoKα","","0.1237","0.0747","","","0.1398","0.1587","","","","","","1.096","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213666","14.0441","0.0004","19.1432","0.0003","19.1482","0.0004","90","","90","","90","","5148","0.2","294","2","294","1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C52.8 H28.8 Br4 Cl2.4 N8 O8 -","- C52.8 H28.8 Br4 Cl2.4 N8 O8 -","- C211.2 H115.2 Br16 Cl9.6 N32 O32 -","4","0.5","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","1.54184","CuKα","","0.0516","0.044","","","0.1154","0.1224","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213667","12.815","0.0006","13.6159","0.0005","25.7452","0.0011","84.442","0.003","87.666","0.004","80.07","0.004","4402.8","0.3","294","2","294","1","","","","","","","","6","P -1","-P 1","2","11-124_(26BrIO)3_2CHCl3","","","- C38 H20 Br3 Cl6 N9 O6 -","- C38 H20 Br3 Cl6 N9 O6 -","- C152 H80 Br12 Cl24 N36 O24 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","0.71073","MoKα","","0.1883","0.0793","","","0.1463","0.1931","","","","","","1.012","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213668","12.239","0.0005","13.6149","0.0005","13.6447","0.0005","100.749","0.003","99.99","0.003","95.463","0.003","2180.69","0.15","294","2","294","1","","","","","","","","6","P -1","-P 1","2","(26BrIO)3_CH2Cl2_[11-125]","","","- C38 H22 Br3 Cl4 N9 O6 -","- C38 H22 Br3 Cl4 N9 O6 -","- C76 H44 Br6 Cl8 N18 O12 -","2","1","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","0.71073","MoKα","","0.1119","0.0667","","","0.1607","0.1867","","","","","","1.013","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213669","10.5779","0.0003","13.2805","0.0003","40.7855","0.0013","90","","95.936","0.002","90","","5698.8","0.3","294","2","294","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99.8 H53.8 Br8 Cl11.4 N24 O17 -","- C99.8 H53.8 Br8 Cl11.4 N24 O17 -","- C199.6 H107.6 Br16 Cl22.8 N48 O34 -","2","0.5","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","0.71073","MoKα","","0.1177","0.0763","","","0.182","0.2053","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213670","15.3403","0.001","21.9052","0.001","16.9452","0.0014","90","","113.426","0.001","90","","5224.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26.5 Cl Co0.5 N4 O4.25 -","- C24 H24 Cl Co0.5 N4 O3.25 -","- C192 H192 Cl8 Co4 N32 O26 -","8","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.0785","0.0683","","","0.2349","0.2463","","","","","","1.119","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213671","18.563","0.0009","12.6014","0.0006","19.9775","0.001","90","","90","","90","","4673.1","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cl2 Cu N4 O2 -","- C24 H22 Cl2 Cu N4 O2 -","- C192 H176 Cl16 Cu8 N32 O16 -","8","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.044","0.0337","","","0.0828","0.0897","","","","","","1.049","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213672","10.3233","0.0006","10.9891","0.0006","13.3452","0.0008","79.573","0.001","85.122","0.001","75.565","0.001","1440.66","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 Cu N7 O9 -","- C27 H29 Cu N7 O9 -","- C54 H58 Cu2 N14 O18 -","2","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.0321","0.0286","","","0.0761","0.0782","","","","","","1.056","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213673","9.8299","0.0004","11.2063","0.0005","11.6827","0.0005","102.816","0.001","103.306","0.001","98.245","0.001","1195.26","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cu N4 O6 S -","- C24 H22 Cu N4 O6 S -","- C48 H44 Cu2 N8 O12 S2 -","2","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.0912","0.0853","","","0.2243","0.2304","","","","","","1.049","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213674","12.7947","0.0005","16.9353","0.0007","18.0105","0.0008","90","","104.74","0.001","90","","3774.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Co N6 O8 -","- C38 H40 Co N6 O8 -","- C152 H160 Co4 N24 O32 -","4","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.0617","0.0456","","","0.1288","0.1424","","","","","","1.057","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213675","21.6962","0.0017","16.6659","0.0017","17.1799","0.0015","90","","102.019","0.002","90","","6075.8","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H33.5 Cu N4 O8.25 -","- C28.5 H30 Cu N4 O8.25 -","- C228 H240 Cu8 N32 O66 -","8","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.1108","0.0634","","","0.1724","0.2042","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213676","9.7066","0.0005","10.7611","0.0005","13.1318","0.0006","112.448","0.001","96.662","0.001","103.768","0.001","1198.16","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl2 Co N4 O2 -","- C24 H22 Cl2 Co N4 O2 -","- C48 H44 Cl4 Co2 N8 O4 -","2","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.032","0.0283","","","0.0725","0.0748","","","","","","1.047","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213677","12.191","0.005","13.18","0.005","13.506","0.005","92.714","0.005","109.859","0.005","110.756","0.005","1873.6","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H43 Cu2 N16 O50 P W12 -","- C30 H22 Cu2 N16 O50 P W12 -","- C30 H22 Cu2 N16 O50 P W12 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting","Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers","CrystEngComm","2014","16","10","2045","","10.1039/c3ce42064g","","","0.71069","MoKα","","0.0987","0.0715","","","0.1865","0.2044","","","","","","1.081","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213678","11.0152","0.0005","11.7744","0.0005","12.4173","0.0006","70.921","0.001","86.69","0.001","89.694","0.001","1519.33","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cu5 Mo8 N36 O28 -","- C30 H18 Cu5 Mo8 N36 O28 -","- C30 H18 Cu5 Mo8 N36 O28 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting","Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers","CrystEngComm","2014","16","10","2045","","10.1039/c3ce42064g","","","0.71073","MoKα","","0.0216","0.0198","","","0.0525","0.0538","","","","","","1.018","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213679","16.437","0.004","21.933","0.006","21.811","0.006","90","","100.372","0.003","90","","7735","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 Cu5 N36 O47 P W12 -","- C30 H18 Cu5 N36 O47 P W12 -","- C120 H72 Cu20 N144 O188 P4 W48 -","4","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting","Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers","CrystEngComm","2014","16","10","2045","","10.1039/c3ce42064g","","","0.71073","MoKα","","0.1326","0.0857","","","0.2171","0.2419","","","","","","1.087","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213680","10.7704","0.0005","11.2485","0.0005","12.3945","0.0005","63.892","0.005","66.121","0.004","73.689","0.007","1223.29","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Cu4 Mo8 N14 O34 -","- C20 H14 Cu4 Mo8 N14 O34 -","- C20 H14 Cu4 Mo8 N14 O34 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting","Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers","CrystEngComm","2014","16","10","2045","","10.1039/c3ce42064g","","","0.71073","MoKα","","0.0325","0.0268","","","0.0663","0.0692","","","","","","1.031","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213681","13.47","0.004","25.55","0.007","9.964","0.003","90","","91.569","0.004","90","","3427.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Cl6 N6 O14 Pr2 -","- C72 H50 Cl6 N6 O14 Pr2 -","- C144 H100 Cl12 N12 O28 Pr4 -","2","0.5","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0576","0.0347","","","0.0682","0.0766","","","","","","0.984","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213682","9.8762","0.0014","13.3762","0.0019","13.76","0.002","85.263","0.002","85.703","0.002","71.627","0.002","1716.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Cl6 N6 Nd2 O14 -","- C72 H46 Cl6 N6 Nd2 O14 -","- C72 H46 Cl6 N6 Nd2 O14 -","1","0.5","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0615","0.0434","","","0.0957","0.1048","","","","","","1.038","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213683","9.87","0.004","13.299","0.005","13.741","0.005","85.436","0.006","85.671","0.005","71.838","0.005","1705.9","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Cl6 N6 O14 Sm2 -","- C72 H50 Cl6 N6 O14 Sm2 -","- C72 H50 Cl6 N6 O14 Sm2 -","1","0.5","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0801","0.056","","","0.1133","0.1245","","","","","","1.013","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213684","8.676","0.005","13.215","0.005","14.791","0.005","100.259","0.005","98.005","0.005","92.052","0.005","1649.3","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Sm -","- C36 H25 Cl3 N3 O7 Sm -","- C72 H50 Cl6 N6 O14 Sm2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0299","0.0255","","","0.0587","0.0601","","","","","","1.049","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213685","9.938","0.003","13.296","0.003","13.692","0.003","85.412","0.004","85.738","0.004","71.375","0.004","1706.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Cl6 Eu2 N6 O14 -","- C72 H50 Cl6 Eu2 N6 O14 -","- C72 H50 Cl6 Eu2 N6 O14 -","1","0.5","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0578","0.0446","","","0.0917","0.0978","","","","","","1.023","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213686","8.694","0.003","13.21","0.004","14.787","0.005","100.236","0.006","97.994","0.006","92.172","0.006","1651.6","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Eu N3 O7 -","- C36 H25 Cl3 Eu N3 O7 -","- C72 H50 Cl6 Eu2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.082","0.0516","","","0.0907","0.1033","","","","","","0.974","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213687","8.6934","0.0009","13.1762","0.0013","14.7709","0.0015","100.235","0.001","97.94","0.001","92.176","0.001","1645.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Gd N3 O7 -","- C36 H25 Cl3 Gd N3 O7 -","- C72 H50 Cl6 Gd2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0556","0.0387","","","0.0751","0.0812","","","","","","1.02","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213688","8.684","0.005","13.13","0.005","14.77","0.005","100.221","0.005","97.912","0.005","92.257","0.005","1638.1","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Tb -","- C36 H25 Cl3 N3 O7 Tb -","- C72 H50 Cl6 N6 O14 Tb2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0493","0.0368","","","0.0784","0.0817","","","","","","1.078","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213689","8.689","0.005","13.109","0.005","14.771","0.005","100.206","0.005","97.819","0.005","92.396","0.005","1636.7","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Dy N3 O7 -","- C36 H23 Cl3 Dy N3 O7 -","- C72 H46 Cl6 Dy2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0635","0.046","","","0.0934","0.0993","","","","","","1.039","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213690","8.703","0.002","13.1","0.003","14.761","0.004","100.253","0.004","97.766","0.004","92.399","0.004","1637.1","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Ho N3 O7 -","- C36 H25 Cl3 Ho N3 O7 -","- C72 H50 Cl6 Ho2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0729","0.0468","","","0.0812","0.0907","","","","","","0.994","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213691","8.7004","0.0018","13.066","0.003","14.779","0.003","100.219","0.003","97.697","0.003","92.384","0.003","1634.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Er N3 O7 -","- C36 H23 Cl3 Er N3 O7 -","- C72 H46 Cl6 Er2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0785","0.0507","","","0.1049","0.118","","","","","","0.986","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213692","8.692","0.005","13.033","0.005","14.775","0.005","100.252","0.005","97.701","0.005","92.426","0.005","1628.4","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Tm -","- C36 H25 Cl3 N3 O7 Tm -","- C72 H50 Cl6 N6 O14 Tm2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0472","0.0359","","","0.0722","0.0754","","","","","","0.967","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213693","8.6999","0.0008","13.0183","0.0012","14.8094","0.0014","100.207","0.001","97.549","0.001","92.53","0.001","1632.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Yb -","- C36 H25 Cl3 N3 O7 Yb -","- C72 H50 Cl6 N6 O14 Yb2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0416","0.0323","","","0.0622","0.066","","","","","","1.001","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213694","8.701","0.0008","13.0007","0.0012","14.7847","0.0014","100.22","0.002","97.514","0.002","92.537","0.002","1627.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Lu N3 O7 -","- C36 H23 Cl3 Lu N3 O7 -","- C72 H46 Cl6 Lu2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0648","0.0444","","","0.0797","0.0888","","","","","","0.997","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213695","8.706","0.003","13.108","0.005","14.788","0.005","100.278","0.006","97.723","0.006","92.392","0.006","1641.7","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Y -","- C36 H25 Cl3 N3 O7 Y -","- C72 H50 Cl6 N6 O14 Y2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.1085","0.0554","","","0.1031","0.1241","","","","","","0.977","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213696","21.065","0.005","12.657","0.003","11.992","0.003","90","","90","","90","","3197.3","1.3","100","3","100","3","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C16 H112 Br O38 P -","- C16 H102.5 Br O38 P -","- C32 H205 Br2 O76 P2 -","2","0.25","","Muromachi, Sanehiro; Takeya, Satoshi; Yamamoto, Yoshitaka; Ohmura, Ryo","Characterization of tetra-n-butylphosphonium bromide semiclathrate hydrate by crystal structure analysis","CrystEngComm","2014","16","10","2056","","10.1039/c3ce41942h","","","0.7107","MoKα","","0.0715","0.0646","","","0.1858","0.1899","","","","","","1.119","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213697","10.4352","0.0016","9.1374","0.0013","42.862","0.007","90","","90.359","0.003","90","","4086.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F5 N3 O3 -","- C21 H20 F5 N3 O3 -","- C168 H160 F40 N24 O24 -","8","2","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.1029","0.0638","","","0.1644","0.1862","","","","","","1.002","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213698","6.303","0.006","7.483","0.007","17.132","0.015","85.192","0.018","81.417","0.018","83.941","0.018","792.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F5 N2 O2 -","- C17 H13 F5 N2 O2 -","- C34 H26 F10 N4 O4 -","2","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0886","0.0565","","","0.1549","0.175","","","","","","1.009","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213699","6.214","0.006","7.246","0.007","15.518","0.014","93.009","0.012","96.517","0.012","95.237","0.013","689.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 F5 N2 O2 -","- C15 H9 F5 N2 O2 -","- C30 H18 F10 N4 O4 -","2","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.1059","0.089","","","0.2421","0.2584","","","","","","1.091","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213700","18.85","0.003","9.519","0.0013","13.5917","0.0019","90","","100.231","0.002","90","","2400","0.6","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 F5 N3 O3 -","- C25 H28 F5 N3 O3 -","- C100 H112 F20 N12 O12 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0922","0.0811","","","0.3056","0.3173","","","","","","1.233","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213701","8.796","0.0009","20.174","0.002","10.7947","0.0012","90","","105.704","0.003","90","","1844","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 F5 N2 O2 -","- C19 H17 F5 N2 O2 -","- C76 H68 F20 N8 O8 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0858","0.0463","","","0.1133","0.1318","","","","","","1.013","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213702","6.235","0.004","7.257","0.005","32.88","0.02","87.826","0.013","89.408","0.012","84.552","0.013","1479.9","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F5 N2 O2 -","- C16 H11 F5 N2 O2 -","- C64 H44 F20 N8 O8 -","4","2","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0885","0.0749","","","0.222","0.2331","","","","","","1.082","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213703","5.352","0.006","7.971","0.008","12.471","0.013","73.23","0.02","79.202","0.019","89.85","0.02","499.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.084","0.0646","","","0.177","0.1886","","","","","","0.96","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213704","16.8272","0.0018","9.5857","0.001","13.9962","0.0014","90","","91.955","0.002","90","","2256.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F5 N3 O3 -","- C23 H24 F5 N3 O3 -","- C92 H96 F20 N12 O12 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0704","0.0442","","","0.1268","0.1439","","","","","","0.982","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213705","5.434","0.004","9.157","0.007","24.3","0.019","90","","90","","90","","1209.1","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H6 F5 N O -","- C13 H6 F5 N O -","- C52 H24 F20 N4 O4 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0454","0.0377","","","0.1027","0.1093","","","","","","1.026","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213706","24.102","0.002","11.0566","0.0009","21.667","0.002","90","","90.299","0.003","90","","5773.9","0.9","223","2","223","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C16 H48 Ag2 I9 La O8 Pb2 S8 -","- C16 H48 Ag2 I9 La O8 Pb2 S8 -","- C64 H192 Ag8 I36 La4 O32 Pb8 S32 -","4","0.5","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.0653","0.0573","","","0.1472","0.1529","","","","","","1.042","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213707","10.6777","0.001","24.857","0.002","22.051","0.002","90","","90","","90","","5852.7","0.9","223","2","223","2","","","","","","","","8","C c c m","-C 2 2c","66","","","","- C16 H48 Ag2 Gd I9 O8 Pb2 S8 -","- C16 Ag2 Gd I9 O8 Pb2 S8 -","- C64 Ag8 Gd4 I36 O32 Pb8 S32 -","4","0.25","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.077","0.0557","","","0.1573","0.1796","","","","","","1.047","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213708","10.717","0.002","24.883","0.005","21.972","0.004","90","","90","","90","","5859.3","1.9","293","2","293","2","","","","","","","","8","C c c m","-C 2 2c","66","","","","- C16 H48 Ag2 I9 O8 Pb2 S8 Tm -","- C16 Ag2 I9 O8 Pb2 S8 Tm -","- C64 Ag8 I36 O32 Pb8 S32 Tm4 -","4","0.25","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.0641","0.0561","","","0.1022","0.1048","","","","","","1.278","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213709","18.634","0.003","15.6835","0.0017","24.675","0.003","90","","107.995","0.003","90","","6858.4","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 I11 La O9 Pb4 S9 -","- C18 H30 I11 La O9 Pb4 S9 -","- C72 H120 I44 La4 O36 Pb16 S36 -","4","1","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.065","0.0428","","","0.0996","0.1205","","","","","","1.106","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213710","18.549","0.004","15.654","0.003","24.592","0.005","90","","107.85","0.03","90","","6797","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 I11 O9 Pb4 Pr S9 -","- C18 H24 I11 O9 Pb4 Pr S9 -","- C72 H96 I44 O36 Pb16 Pr4 S36 -","4","1","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.0683","0.0719","","","0.0938","0.1049","","","","","","1.11","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213711","18.6984","0.0019","15.5382","0.0012","24.498","0.003","90","","108.218","0.002","90","","6760.9","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 I11 Nd O9 Pb4 S9 -","- C18 H48 I11 Nd O9 Pb4 S9 -","- C72 H192 I44 Nd4 O36 Pb16 S36 -","4","1","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.0506","0.0328","","","0.0626","0.0909","","","","","","1.111","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213712","7.2256","0.0002","11.6583","0.0004","12.7817","0.0004","90","","90","","90","","1076.71","0.06","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- B5 Cs2 Li3 O10 -","- B5 Cs2 Li3 O10 -","- B20 Cs8 Li12 O40 -","4","0.5","","Yang, Yun; Su, Xin; Pan, Shilie; Zhang, Min; Wang, Ying; Han, Jian; Yang, Zhihua","Crystal growth and calculation of the electronic band structure and density of states of Li3Cs2B5O10","CrystEngComm","2014","16","10","1978","","10.1039/c3ce42084a","","","0.71073","MoKα","","0.0248","0.0246","","","0.0586","0.0587","","","","","","1.036","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213713","18.4648","0.001","18.9507","0.001","12.1406","0.0007","90","","114.522","0.001","90","","3865.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C128 H160 Cu16 I16 N32 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0608","0.0589","","","0.1832","0.1856","","","","","","1.089","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213714","18.4469","0.001","18.9875","0.0011","12.1745","0.0007","90","","114.546","0.001","90","","3878.9","0.4","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C128 H160 Cu16 I16 N32 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0582","0.0548","","","0.1711","0.1777","","","","","","1.069","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213715","18.4558","0.0011","19.0332","0.0011","12.2097","0.0008","90","","114.555","0.001","90","","3901.1","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C128 H160 Cu16 I16 N32 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0507","0.0475","","","0.1356","0.1383","","","","","","1.088","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213716","18.4183","0.0015","19.1626","0.0016","12.278","0.001","90","","114.633","0.001","90","","3939.1","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C128 H160 Cu16 I16 N32 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0339","0.0262","","","0.062","0.0654","","","","","","1.034","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213717","17.9843","0.0018","14.9569","0.0014","22.464","0.002","90","","111.631","0.002","90","","5617","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Cu2 I2 N6 -","- C24 H30 Cu2 I2 N6 -","- C192 H240 Cu16 I16 N48 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0818","0.0445","","","0.08","0.091","","","","","","0.856","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213718","8.156","0.0002","10.4612","0.0003","12.4373","0.0004","70.127","0.001","84.695","0.002","79.552","0.002","980.88","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl4 Cu2 N8 O20 -","- C32 H28 Cl4 Cu2 N8 O20 -","- C32 H28 Cl4 Cu2 N8 O20 -","1","0.5","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0449","0.0323","","","0.073","0.0781","","","","","","1.062","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213719","7.9852","0.0003","24.5926","0.0011","9.3471","0.0004","90","","100.87","0.003","90","","1802.62","0.13","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl Cu N4 O6 -","- C18 H13 Cl Cu N4 O6 -","- C72 H52 Cl4 Cu4 N16 O24 -","4","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0793","0.0579","","","0.1444","0.1582","","","","","","1.021","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7213720","13.4187","0.0006","12.5647","0.0006","21.7018","0.0005","90","","100.669","0.003","90","","3595.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H82 Cu4 N16 O25 -","- C64 H82 Cu4 N16 O25 -","- C128 H164 Cu8 N32 O50 -","2","0.5","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.106","0.0548","","","0.1105","0.1289","","","","","","1.046","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213721","8.7094","0.0003","9.5978","0.0003","10.6996","0.0003","96.294","0.002","102.423","0.002","95.889","0.002","860.82","0.05","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H17 Cl Cu N2 O8 S2 -","- C10 H17 Cl Cu N2 O8 S2 -","- C20 H34 Cl2 Cu2 N4 O16 S4 -","2","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0511","0.0335","","","0.0778","0.0847","","","","","","1.025","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213722","10.9002","0.0003","12.4076","0.0004","12.8803","0.0002","90","","98.5","0.002","90","","1722.87","0.08","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Cl Cu N2 O8 S2 -","- C10 H17 Cl Cu N2 O8 S2 -","- C40 H68 Cl4 Cu4 N8 O32 S8 -","4","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0435","0.0318","","","0.0711","0.076","","","","","","1.063","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213723","16.1013","0.0004","12.1614","0.0002","18.9485","0.0005","90","","90","","90","","3710.39","0.15","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Cl Cu N4 O6 -","- C18 H13 Cl Cu N4 O6 -","- C144 H104 Cl8 Cu8 N32 O48 -","8","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0578","0.0419","","","0.1155","0.1275","","","","","","1.079","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213724","14.1287","0.0007","8.6553","0.0003","15.737","0.0008","90","","110.535","0.002","90","","1802.17","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl2 Cu N4 O12 -","- C12 H12 Cl2 Cu N4 O12 -","- C48 H48 Cl8 Cu4 N16 O48 -","4","0.5","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0404","0.0323","","","0.0857","0.0912","","","","","","1.059","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213725","27.908","0.005","27.908","0.005","6.521","0.005","90","0.005","90","0.005","90","0.005","5079","4","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C224 H256 N16 O16 -","8","0.5","","Zhang, Ruilong; Zhang, Qiong; Liu, Zhaodi; Yang, Longmei; Wu, Jieying; Zhou, Hongping; Yang, Jiaxiang; Tian, Yupeng","Two polymorphs and cocrystal of styryl-pyridine derivatives with tuned emission induced by Co2+ and Zn(phen)32+","CrystEngComm","2014","16","10","2039","","10.1039/c3ce42069h","","","0.71069","MoKα","","0.1679","0.0749","","","0.1921","0.2462","","","","","","1.141","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213726","8.5234","0.0015","10.7419","0.0019","14.505","0.003","73.507","0.002","83.091","0.002","76.901","0.002","1238","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C56 H64 N4 O4 -","2","1","","Zhang, Ruilong; Zhang, Qiong; Liu, Zhaodi; Yang, Longmei; Wu, Jieying; Zhou, Hongping; Yang, Jiaxiang; Tian, Yupeng","Two polymorphs and cocrystal of styryl-pyridine derivatives with tuned emission induced by Co2+ and Zn(phen)32+","CrystEngComm","2014","16","10","2039","","10.1039/c3ce42069h","","","0.71073","MoKα","","0.1809","0.0943","","","0.2441","0.3201","","","","","","1.059","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213727","10.976","0.005","12.928","0.005","18.049","0.005","90.231","0.005","92.082","0.005","113.369","0.005","2349","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H40 Cl2 N7 O9 Zn -","- C50 H40 Cl2 N7 O9 Zn -","- C100 H80 Cl4 N14 O18 Zn2 -","2","1","","Zhang, Ruilong; Zhang, Qiong; Liu, Zhaodi; Yang, Longmei; Wu, Jieying; Zhou, Hongping; Yang, Jiaxiang; Tian, Yupeng","Two polymorphs and cocrystal of styryl-pyridine derivatives with tuned emission induced by Co2+ and Zn(phen)32+","CrystEngComm","2014","16","10","2039","","10.1039/c3ce42069h","","","0.71069","MoKα","","0.1143","0.0731","","","0.2088","0.2326","","","","","","1.325","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213728","12.0653","0.0005","29.4244","0.0012","7.6893","0.0003","90","","90","","90","","2729.81","0.19","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hup A Form H2","","","- C15 H20 N2 O2 -","- C15 H18 N2 O1.9435 -","- C120 H144 N16 O15.548 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.1092","0.0497","","","0.0793","0.0912","","","","","","0.827","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213729","14.7583","0.0014","29.841","0.003","7.5013","0.0008","90","","90","","90","","3303.6","0.6","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hup A Form S1","","","- C17.5 H24 N2 O1.5 -","- C17.5 H24 N2 O1.5 -","- C140 H192 N16 O12 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0879","0.0575","","","0.1286","0.143","","","","","","0.995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213730","8.0666","0.0006","16.294","0.0012","12.7096","0.001","90","","94.054","0.004","90","","1666.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hup A Form S4","","","- C18 H25 N2 O -","- C18 H25 N2 O -","- C72 H100 N8 O4 -","4","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0433","0.0422","","","0.1168","0.1186","","","","","","1.042","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213731","12.1","0.002","29.76","0.006","7.7","0.0015","90","","90","","90","","2772.7","0.9","273","2","273","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hup A Form s3","","","- C15.25 H18.75 N2.25 O1.5 -","- C15.25 H18.75 N2.25 O1.5 -","- C122 H150 N18 O12 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0821","0.056","","","0.1505","0.1681","","","","","","1.023","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213732","19.9216","0.0004","7.4733","0.0001","15.2146","0.0003","90","","130.274","0.001","90","","1728.22","0.06","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","Hup A Form S2","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C76 H104 N8 O8 -","4","1","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0369","0.0361","","","0.1011","0.102","","","","","","1.053","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213733","11.1699","0.0002","14.0489","0.0003","27.7447","0.0003","102.364","0.001","97.794","0.001","100.39","0.002","4113.77","0.13","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H63 Cl Cu5 I4 N6 O25 Sm3 -","- C74 Cl Cu5 I4 N6 O25 Sm3 -","- C148 Cl2 Cu10 I8 N12 O50 Sm6 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Constructing heterometallic frameworks with highly connected topology based on edge-to-edge hexanuclear lanthanide clusters","CrystEngComm","2014","16","10","1885","","10.1039/c3ce42224k","","","1.54178","CuKα","","0.0881","0.076","","","0.2019","0.2164","","","","","","0.991","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213734","11.2148","0.0002","17.3605","0.0002","26.9709","0.0005","84.067","0.001","85.012","0.002","71.92","0.002","4956.7","0.15","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C168 H142 Cl2 Cu14 I12 N14 O53 Sm6 -","- C168 Cl2 Cu14 I12 N14 O53 Sm6 -","- C168 Cl2 Cu14 I12 N14 O53 Sm6 -","1","1","","Fang, Wei-Hui; Yang, Guo-Yu","Constructing heterometallic frameworks with highly connected topology based on edge-to-edge hexanuclear lanthanide clusters","CrystEngComm","2014","16","10","1885","","10.1039/c3ce42224k","","","0.71073","MoKα","","0.0534","0.0475","","","0.1328","0.1382","","","","","","1.026","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213735","10.6782","0.0002","8.3255","0.0001","20.312","0.0005","90","","105.218","0.003","90","","1742.44","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-nitro-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-nitro-benzylidene)-hydrazine","","- C17 H16 N4 O4 S -","- C17 H16 N4 O4 S -","- C68 H64 N16 O16 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0397","0.0366","","","0.1008","0.1048","","","","","","1.039","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213736","14.3069","0.0003","7.0786","0.0002","14.4568","0.0006","90","","91.803","0.002","90","","1463.36","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methyl-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C64 H60 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0352","0.0334","","","0.0975","0.0995","","","","","","1.07","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213737","7.317","0.0001","13.0149","0.0002","16.1806","0.0002","90","","90","","90","","1540.88","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C64 H60 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.029","0.0275","","","0.0756","0.0772","","","","","","1.065","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213738","8.1464","0.0003","8.3969","0.0003","11.1659","0.0004","86.728","0.003","84.54","0.003","86.4","0.003","757.83","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methyl-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C32 H30 N6 O4 S2 -","2","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0388","0.0346","","","0.1022","0.1081","","","","","","0.972","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213739","26.6368","0.001","7.1909","0.0002","8.6143","0.0003","90","","112.741","0.004","90","","1521.74","0.1","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methoxy-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","2","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0517","0.0419","","","0.1273","0.1377","","","","","","1.043","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213740","14.1043","0.0002","8.4919","0.0001","28.3452","0.0004","90","","93.671","0.002","90","","3388","0.08","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-[(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1l6-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-hydrazonomethyl]-2-ethoxy-phenol","4-[(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1l6-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-hydrazonomethyl]-2-ethoxy-phenol","","- C18 H19 N3 O3 S -","- C18 H19 N3 O3 S -","- C144 H152 N24 O24 S8 -","8","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.062","0.06","","","0.1888","0.1915","","","","","","1.048","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213741","6.6454","0.0001","10.9886","0.0002","21.2138","0.0004","90","","90","","90","","1549.11","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methoxy-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methoxy-benzylidene)-hydrazine","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0308","0.0297","","","0.0806","0.0818","","","","","","0.922","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213742","8.2437","0.0004","9.5959","0.0005","11.1377","0.0006","95.383","0.004","107.003","0.004","112.475","0.005","757.18","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methoxy-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methoxy-benzylidene)-hydrazine","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C32 H30 N6 O6 S2 -","2","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0373","0.0348","","","0.0991","0.1024","","","","","","0.962","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213743","8.4612","0.0003","8.35","0.0003","24.9103","0.0009","90","","94.49","0.003","90","","1754.54","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C18 H19 N3 O2 S -","- C18 H19 N3 O2 S -","- C72 H76 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0608","0.0533","","","0.1526","0.1637","","","","","","1.041","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213744","8.5087","0.0005","9.0853","0.0006","19.3952","0.0008","89.564","0.004","79.817","0.004","73.739","0.006","1415.28","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C15 H13 N3 O2 S -","- C15 H13 N3 O2 S -","- C60 H52 N12 O8 S4 -","4","2","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.1163","0.0851","","","0.2201","0.2664","","","","","","1.05","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213745","6.3407","0.0001","16.6106","0.0004","14.4754","0.0003","90","","90","","90","","1524.59","0.05","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C15 H12 Br N3 O2 S -","- C15 H12 Br N3 O2 S -","- C60 H48 Br4 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.057","0.0565","","","0.1507","0.152","","","","","","1.039","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213746","9.215","0.0003","18.8491","0.0005","10.429","0.0003","90","","100.392","0.003","90","","1781.75","0.09","284","2","284","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu F6 N12 O6 S4 -","- C28 H24 Cu F6 N12 O6 S4 -","- C56 H48 Cu2 F12 N24 O12 S8 -","2","0.5","","Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin","Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation","CrystEngComm","2014","16","3","304","","10.1039/c3ce41886c","","","0.71073","MoKα","","0.0441","0.0333","","","0.0725","0.0781","","","","","","1.048","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213747","9.2224","0.0007","18.8786","0.0013","10.4661","0.0008","90","","100.366","0.007","90","","1792.5","0.2","323","2","323","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu F6 N12 O6 S4 -","- C28 H24 Cu F6 N12 O6 S4 -","- C56 H48 Cu2 F12 N24 O12 S8 -","2","0.5","","Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin","Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation","CrystEngComm","2014","16","3","304","","10.1039/c3ce41886c","","","0.71073","MoKα","","0.0754","0.0434","","","0.0823","0.0996","","","","","","1.081","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213748","9.2249","0.0009","18.8564","0.0013","10.4413","0.0011","90","","100.292","0.01","90","","1787","0.3","353","2","353","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu F6 N12 O6 S4 -","- C28 H24 Cu F6 N12 O6 S4 -","- C56 H48 Cu2 F12 N24 O12 S8 -","2","0.5","","Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin","Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation","CrystEngComm","2014","16","3","304","","10.1039/c3ce41886c","","","0.71073","MoKα","","0.0689","0.0444","","","0.0874","0.1007","","","","","","1.079","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213749","9.2121","0.0008","18.8386","0.0013","10.4187","0.001","90","","100.408","0.009","90","","1778.3","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu F6 N12 O6 S4 -","- C28 H24 Cu F6 N12 O6 S4 -","- C56 H48 Cu2 F12 N24 O12 S8 -","2","0.5","","Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin","Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation","CrystEngComm","2014","16","3","304","","10.1039/c3ce41886c","","","0.71073","MoKα","","0.0853","0.0488","","","0.0847","0.1047","","","","","","1.06","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213750","8.4724","0.0015","9.3461","0.0017","11.4906","0.0019","82.012","0.002","76.92","0.002","69.835","0.002","830.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 N4 O8 Zn2 -","- C15 H7 N4 O8 Zn2 -","- C30 H14 N8 O16 Zn4 -","2","1","","He, Hongming; Sun, Fuxing; Su, Hongmin; Jia, Jiangtao; Li, Qin; Zhu, Guangshan","Syntheses, structures and luminescence properties of three metal‒organic frameworks based on 5-(4-(2H-tetrazol-5-yl)phenoxy)isophthalic acid","CrystEngComm","2014","16","3","339","","10.1039/c3ce41764f","","","0.71073","MoKα","","0.0399","0.0382","","","0.1037","0.1049","","","","","","1.082","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213751","9.1794","0.0009","9.46","0.0009","11.1538","0.001","90.726","0.001","100.252","0.001","105.265","0.001","917.66","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Cd2 N4 O9 -","- C15 H7 Cd2 N4 O9 -","- C30 H14 Cd4 N8 O18 -","2","1","","He, Hongming; Sun, Fuxing; Su, Hongmin; Jia, Jiangtao; Li, Qin; Zhu, Guangshan","Syntheses, structures and luminescence properties of three metal‒organic frameworks based on 5-(4-(2H-tetrazol-5-yl)phenoxy)isophthalic acid","CrystEngComm","2014","16","3","339","","10.1039/c3ce41764f","","","0.71073","MoKα","","0.031","0.0244","","","0.057","0.0604","","","","","","1.034","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213752","9.117","0.016","9.452","0.016","10.914","0.019","97.53","0.03","92.11","0.02","103.25","0.03","905","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Co2 N4 O9 -","- C15 H7 Co2 N4 O9 -","- C30 H14 Co4 N8 O18 -","2","1","","He, Hongming; Sun, Fuxing; Su, Hongmin; Jia, Jiangtao; Li, Qin; Zhu, Guangshan","Syntheses, structures and luminescence properties of three metal‒organic frameworks based on 5-(4-(2H-tetrazol-5-yl)phenoxy)isophthalic acid","CrystEngComm","2014","16","3","339","","10.1039/c3ce41764f","","","0.71073","MoKα","","0.0877","0.0603","","","0.1572","0.1768","","","","","","1.022","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213753","12.9517","0.0017","14.733","0.002","20.052","0.003","90","","129.256","0.008","90","","2962.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cu3 N28 O2 -","- C30 H30 Cu3 N28 O2 -","- C60 H60 Cu6 N56 O4 -","2","0.5","","Goswami, Soumyabrata; Sanda, Suresh; Konar, Sanjit","A porous metal organic framework with a bcu-type topology involving in situ ligand formation ‒ synthesis, structure, magnetic property and gas adsorption studies","CrystEngComm","2014","16","3","369","","10.1039/c3ce41612g","","","0.71073","MoKα","","0.1281","0.0634","","","0.1371","0.1537","","","","","","0.905","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213754","9.4435","0.0004","11.7657","0.0005","14.9918","0.0007","110.335","0.002","90.018","0.002","93.142","0.002","1559.23","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 F6 La2 O20 P6 -","- C18 H22 F6 La2 O20 P6 -","- C36 H44 F12 La4 O40 P12 -","2","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide‒organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.0805","0.0512","","","0.1148","0.1266","","","","","","1.083","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213755","9.7829","0.0005","9.9524","0.0005","17.051","0.0009","90","","100.424","0.002","90","","1632.74","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 F3 O11 P3 -","- C9 H16 F3 O11 P3 -","- C36 H64 F12 O44 P12 -","4","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide‒organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.0449","0.0345","","","0.0924","0.0977","","","","","","1.054","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213756","8.1025","0.0003","8.7996","0.0003","14.951","0.0006","90","","90","","90","","1065.99","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 Cl3 F3 -","- C9 H6 Cl3 F3 -","- C36 H24 Cl12 F12 -","4","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide‒organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.0399","0.0314","","","0.0671","0.0717","","","","","","1.042","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213757","10.3141","0.0006","10.5339","0.0006","15.0122","0.001","69.566","0.003","71.856","0.003","69.669","0.003","1399.25","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 F3 O9 P3 -","- C21 H36 F3 O9 P3 -","- C42 H72 F6 O18 P6 -","2","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide‒organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.1017","0.052","","","0.1122","0.1298","","","","","","1.021","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213758","12.3512","0.0007","20.7502","0.0012","18.8896","0.0011","90","","90.759","0.001","90","","4840.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H31 Dy3 N2 O20 -","- C46 H31 Dy3 N2 O20 -","- C184 H124 Dy12 N8 O80 -","4","1","","Liu, Qing-Yan; Li, Yi-Lei; Wang, Yu-Ling; Liu, Cai-Ming; Ding, Li-Wen; Liu, Ying","Ionothermal synthesis of a 3D dysprosium‒1,4-benzenedicarboxylate framework based on the 1D rod-shaped dysprosium‒carboxylate building blocks exhibiting slow magnetization relaxation","CrystEngComm","2014","16","3","486","","10.1039/c3ce41624k","","","0.71073","MoKα","","0.0439","0.0256","","","0.0566","0.0647","","","","","","1.001","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213759","7.126","0.0014","10.736","0.002","10.971","0.002","60.99","0.03","89.03","0.03","86.86","0.03","732.9","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Naphthalene-perylene-7,7,8,8-tetracyanoquinodimethane complex","","- C42 H24 N4 -","- C42 H24 N4 -","- C42 H24 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.0851","0.0509","","","0.1182","0.1394","","","","","","0.896","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213760","7.2362","0.0015","11.072","0.003","11.308","0.003","62.06","0.02","86.353","0.019","81.766","0.019","792.1","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Pyrene-perylene-7,7,8,8-tetracyanoquinodimethane complex","","- C48 H26 N4 -","- C48 H26 N4 -","- C48 H26 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.1154","0.0903","","","0.2492","0.2735","","","","","","1.077","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213761","7.004","0.002","10.09","0.005","11.783","0.005","107.42","0.05","106.46","0.03","93.44","0.04","752.4","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Pyrene-7,7,8,8-tetracyanoquinodimethane complex (2:1)","","- C44 H24 N4 -","- C44 H24 N4 -","- C44 H24 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.1418","0.0945","","","0.2292","0.2737","","","","","","0.977","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213762","6.9917","0.0014","10.069","0.002","14.671","0.003","90","","103.52","0.03","90","","1004.2","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Pyrene-7,7,8,8-tetracyanoquinodimethane complex","","- C28 H14 N4 -","- C28 H14 N4 -","- C56 H28 N8 -","2","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.0407","0.0337","","","0.0792","0.0823","","","","","","1.036","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213763","7.1533","0.0005","7.9721","0.0005","9.2258","0.0005","80.107","0.005","89.79","0.005","86.67","0.005","517.41","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Chrysene-7,7,8,8-tetracyanoquinodimethane complex","","- C30 H16 N4 -","- C30 H16 N4 -","- C30 H16 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.0372","0.033","","","0.0887","0.0916","","","","","","1.088","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213764","6.7083","0.0009","8.0897","0.0012","9.118","0.002","101.212","0.016","97.72","0.015","99.521","0.012","471.54","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Phenanthrene-7,7,8,8-tetracyanoquinodimethane complex","","- C26 H14 N4 -","- C26 H14 N4 -","- C26 H14 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.1716","0.0761","","","0.1763","0.2282","","","","","","0.967","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213765","7.4928","0.001","7.8003","0.001","8.1026","0.0011","84.297","0.006","81.124","0.006","61.343","0.005","410.4","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Naphthalene-TCNQ complex","","- C22 H12 N4 -","- C22 H12 N4 -","- C22 H12 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.035","0.0292","","","0.0795","0.0833","","","","","","1.054","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213766","7.9666","0.0016","9.4084","0.0019","9.6154","0.0019","89.66","0.03","71.19","0.03","69.77","0.03","635.6","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cu I N3 O -","- C12 H11 Cu I N3 O -","- C24 H22 Cu2 I2 N6 O2 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0945","0.0607","","","0.1218","0.1664","","","","","","1.078","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213767","23.0737","0.0014","11.5118","0.0007","16.6416","0.0009","90","","90","","90","","4420.3","0.4","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C42 H39 Cu3 I2 N4 P2 -","- C40 H36 Cu3 I2 N3 P2 -","- C160 H144 Cu12 I8 N12 P8 -","4","0.5","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0966","0.051","","","0.122","0.1531","","","","","","1.099","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213768","9.825","0.002","12.261","0.003","11.798","0.002","90","","93.34","0.03","90","","1418.8","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cu2 I2 N3 -","- C11 H9 Cu2 I2 N3 -","- C44 H36 Cu8 I8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.084","0.0491","","","0.1025","0.1369","","","","","","1.055","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213769","18.782","0.004","9.3645","0.0019","18.609","0.004","90","","97.15","0.03","90","","3247.6","1.2","295","2","295","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C22 H24 Cu4 I4 N6 O -","- C22 H22 Cu4 I4 N6 O -","- C88 H88 Cu16 I16 N24 O4 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0955","0.0544","","","0.1434","0.1933","","","","","","1.094","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213770","18.5585","0.001","4.28","0.0002","19.0844","0.0009","90","","108.395","0.005","90","","1438.43","0.13","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 Cu2 I2 N3 -","- C11 H11 Cu2 I2 N3 -","- C44 H44 Cu8 I8 N12 -","4","0.5","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0541","0.0376","","","0.0804","0.0896","","","","","","1.046","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213771","12.797","0.003","13.532","0.003","14.117","0.003","77.43","0.03","82.7","0.03","75.15","0.03","2299.7","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H60 Ag4 N14 O42 Si W12 -","- C70 H56 Ag4 N14 O42 Si W12 -","- C70 H56 Ag4 N14 O42 Si W12 -","1","0.5","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.1192","0.102","","","0.229","0.2414","","","","","","1.196","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213772","12.208","0.002","22.96","0.005","12.372","0.003","90","","113.85","0.03","90","","3171.7","1.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H37 Cu Mo12 N8 O41 Si -","- C40 H32 Cu Mo12 N8 O41 Si -","- C80 H64 Cu2 Mo24 N16 O82 Si2 -","2","1","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0567","0.0525","","","0.1274","0.1321","","","","","","1.015","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213773","30.526","0.006","14.052","0.003","19.953","0.004","90","","118.88","0.03","90","","7494","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 Cd2 Mo12 N8 O50 P V2 -","- C46 H32 Cd2 Mo12 N8 O50 P V2 -","- C184 H128 Cd8 Mo48 N32 O200 P4 V8 -","4","0.5","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0813","0.0576","","","0.141","0.155","","","","","","1.056","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213774","24.293","0.005","10.896","0.002","29.975","0.006","90","","90","","90","","7934","3","296","2","296","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C52 H46 Cu4 Mo12 N10 O45 P V2 -","- C52 H40 Cu4 Mo12 N10 O45 P V2 -","- C208 H160 Cu16 Mo48 N40 O180 P4 V8 -","4","0.5","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.1097","0.0672","","","0.1975","0.2277","","","","","","1.014","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213775","13.2145","0.0011","24.934","0.002","27.184","0.002","90","","90","","90","","8956.9","1.2","296","2","296","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C68 H48 Cu4 Mo12 N12 O42 Si V2 -","- C68 H48 Cu4 Mo12 N12 O42 Si V2 -","- C272 H192 Cu16 Mo48 N48 O168 Si4 V8 -","4","0.25","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0716","0.0518","","","0.1347","0.1477","","","","","","1.046","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213776","13.2295","0.0008","24.9102","0.0017","27.2377","0.0019","90","","90","","90","","8976.2","1","296","2","296","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C68 H48 Cu4 Ge Mo12 N12 O42 V2 -","- C68 H48 Cu4 Ge Mo12 N12 O42 V2 -","- C272 H192 Cu16 Ge4 Mo48 N48 O168 V8 -","4","0.25","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0844","0.0602","","","0.1708","0.1923","","","","","","1.038","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213777","10.5623","0.0005","18.0907","0.0005","23.0081","0.001","90","","102.177","0.003","90","","4297.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Gd N8 Ni O13 -","- C41 H37 Gd N8 Ni O13 -","- C164 H148 Gd4 N32 Ni4 O52 -","4","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Maxim, Catalin; Julve, Miguel; Lloret, Francesc; Andruh, Marius","One-dimensional coordination polymers constructed from di- and trinuclear {3d‒4f} tectons. A new useful spacer in crystal engineering: 1,3-bis(4-pyridyl)azulene","CrystEngComm","2014","16","3","319","","10.1039/c3ce41592a","","","0.71073","MoKα","","0.0607","0.0461","","","0.101","0.1068","","","","","","1.062","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213778","9.406","0.0014","13.526","0.003","18.568","0.003","74.727","0.013","81.42","0.012","80.592","0.013","2234.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Eu N7 O14 Zn -","- C39 H34 Eu N7 O14 Zn -","- C78 H68 Eu2 N14 O28 Zn2 -","2","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Maxim, Catalin; Julve, Miguel; Lloret, Francesc; Andruh, Marius","One-dimensional coordination polymers constructed from di- and trinuclear {3d‒4f} tectons. A new useful spacer in crystal engineering: 1,3-bis(4-pyridyl)azulene","CrystEngComm","2014","16","3","319","","10.1039/c3ce41592a","","","0.71073","MoKα","","0.1402","0.0878","","","0.2089","0.239","","","","","","0.984","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213779","9.0187","0.0018","9.5438","0.0019","10.835","0.002","87.16","0.017","89.548","0.017","61.353","0.015","817.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Cu2 Gd N7 O14 -","- C28 H22 Cu2 Gd N7 O14 -","- C28 H22 Cu2 Gd N7 O14 -","1","0.5","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Maxim, Catalin; Julve, Miguel; Lloret, Francesc; Andruh, Marius","One-dimensional coordination polymers constructed from di- and trinuclear {3d‒4f} tectons. A new useful spacer in crystal engineering: 1,3-bis(4-pyridyl)azulene","CrystEngComm","2014","16","3","319","","10.1039/c3ce41592a","","","0.71073","MoKα","","0.066","0.0484","","","0.109","0.1165","","","","","","0.958","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213780","15.051","0.003","30.966","0.006","16.201","0.003","90","","93.23","0.03","90","","7539","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 Dy N3 Ni2 O23 -","- C40 H30 Dy N3 Ni2 O23 -","- C160 H120 Dy4 N12 Ni8 O92 -","4","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Maxim, Catalin; Julve, Miguel; Lloret, Francesc; Andruh, Marius","One-dimensional coordination polymers constructed from di- and trinuclear {3d‒4f} tectons. A new useful spacer in crystal engineering: 1,3-bis(4-pyridyl)azulene","CrystEngComm","2014","16","3","319","","10.1039/c3ce41592a","","","0.71073","MoKα","","0.093","0.0578","","","0.1515","0.1652","","","","","","0.951","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213781","11.595","0.002","13.96","0.003","12.667","0.002","90","","102.092","0.003","90","","2004.9","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H38 Mn N8 O5 -","- C46 H38 Mn N8 O5 -","- C92 H76 Mn2 N16 O10 -","2","1","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.1042","0.0717","","","0.174","0.207","","","","","","1","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213782","10.551","0.003","12.28","0.003","14.417","0.004","82.256","0.005","88.642","0.005","79.904","0.004","1822.3","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Cd N4 O4 -","- C40 H30 Cd N4 O4 -","- C80 H60 Cd2 N8 O8 -","2","1","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.0418","0.0367","","","0.0972","0.1057","","","","","","1.078","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213783","11.4316","0.001","22.867","0.002","14.3083","0.0012","90","","91.096","0.002","90","","3739.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H64 Cd3 N4 O12 -","- C90 H64 Cd3 N4 O12 -","- C180 H128 Cd6 N8 O24 -","2","0.5","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.1103","0.0562","","","0.1106","0.1435","","","","","","0.992","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213784","11.3771","0.0014","22.53","0.003","14.3009","0.0017","90","","91.055","0.002","90","","3665.1","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H64 Mn3 N4 O12 -","- C90 H64 Mn3 N4 O12 -","- C180 H128 Mn6 N8 O24 -","2","0.5","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.0767","0.0449","","","0.1237","0.1532","","","","","","1","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213785","21.075","0.002","7.0239","0.0007","31.99","0.003","90","","104.356","0.002","90","","4587.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 Mn2 N2 O11 -","- C50 H48 Mn2 N2 O11 -","- C200 H192 Mn8 N8 O44 -","4","1","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.1255","0.0596","","","0.1447","0.202","","","","","","0.996","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213786","19.134","0.004","12.902","0.003","22.579","0.005","90","","91.1","0.03","90","","5573","2","153","2","426","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100 H98 Cl4 Fe6 N4 O26 S10 -","- C100 H98 Cl4 Fe6 N4 O26 S10 -","- C200 H196 Cl8 Fe12 N8 O52 S20 -","2","0.5","","Jiang, Guomin; Wang, Miao; Gu, Xuefang; Chen, Tingting; Shang, Yanfang; Tang, Yanfeng; Jiang, Guoqing; Shi, Yujun","Synthesis, structure and characterization of Fe6 molecular clusters with peripheral sulfur atom-capped silver nanoparticles","CrystEngComm","2014","16","3","472","","10.1039/c3ce41444b","","","0.71073","MoKα","","0.1081","0.0856","","","0.2021","0.2197","","","","","","1.091","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213787","15.365","0.003","31.833","0.006","16.779","0.003","90","","90","","90","","8207","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C58 H72 Mn4 N28 O32 -","- C58 H53 Mn4 N28 O28 -","- C232 H212 Mn16 N112 O112 -","4","0.5","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.1058","0.0878","","","0.2055","0.2171","","","","","","1.104","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213788","13.519","0.003","14.955","0.003","15.356","0.003","102.35","0.03","109.47","0.03","110.99","0.03","2529.4","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H52 Mn3 N10 O22 -","- C43 H50 Mn3 N10 O22 -","- C86 H100 Mn6 N20 O44 -","2","1","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.045","0.0402","","","0.1055","0.1098","","","","","","1.089","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213789","13.527","0.003","14.982","0.003","15.036","0.003","62.09","0.03","67.21","0.03","74.82","0.03","2470.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 Mn3 N10 O22 -","- C42 H48 Mn3 N10 O21 -","- C84 H96 Mn6 N20 O42 -","2","1","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.088","0.0772","","","0.2068","0.2168","","","","","","1.067","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213790","28.334","0.006","13.063","0.003","6.7989","0.0014","90","","90","","90","","2516.5","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H27 Mn N5 O9 -","- C25 H27 Mn N5 O9 -","- C100 H108 Mn4 N20 O36 -","4","1","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.051","0.0435","","","0.0958","0.1107","","","","","","1.032","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213791","9.7736","0.0004","6.5159","0.0002","11.9527","0.0005","90","","105.729","0.002","90","","732.69","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C34 H38 N2 O6 -","2","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.0349","0.0339","","","0.0964","0.099","","","","","","0.825","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213792","24.03","0.003","24.03","0.003","15.0512","0.0019","90","","90","","90","","8691.2","1.9","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C68 H72 N8 Ni4 O16 -","- C68 H72 N8 Ni4 O16 -","- C272 H288 N32 Ni16 O64 -","4","0.25","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.0931","0.0488","","","0.1235","0.1385","","","","","","0.936","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213793","23.871","0.0019","15.5094","0.0013","19.9409","0.0019","90","","107.492","0.005","90","","7041.2","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C56 H40 N8 Ni4 O20 -","- C56 H40 N8 Ni4 O20 -","- C224 H160 N32 Ni16 O80 -","4","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.0493","0.0391","","","0.101","0.1063","","","","","","1.048","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213794","26.43","0.0019","15.9077","0.0011","35.039","0.003","90","","109.497","0.001","90","","13887.1","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H66 N12 Ni4 O20 -","- C67 H66 N12 Ni4 O20 -","- C536 H528 N96 Ni32 O160 -","8","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.068","0.0574","","","0.1302","0.136","","","","","","1.042","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213795","14.3328","0.0017","16.1942","0.0019","16.976","0.002","71.996","0.002","68.484","0.002","66.013","0.002","3289.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H84 N4 Ni4 O16 -","- C56 H84 N4 Ni4 O16 -","- C112 H168 N8 Ni8 O32 -","2","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.03","0.0242","","","0.0624","0.0643","","","","","","1.055","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213796","14.8226","0.0012","15.9005","0.0013","17.7741","0.0014","85.655","0.002","66.279","0.001","72.521","0.002","3653.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H74 N4 Ni4 O16 -","- C72 H74 N4 Ni4 O16 -","- C144 H148 N8 Ni8 O32 -","2","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.1314","0.1272","","","0.2762","0.2784","","","","","","1.055","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213797","27.7056","0.0006","23.395","0.0006","21.0709","0.0004","90","","113.911","0.002","90","","12485.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C139 H58 O96 Tm12 -","- C139 H58 O96 Tm12 -","- C278 H116 O192 Tm24 -","2","0.25","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0439","0.0326","","","0.0727","0.0757","","","","","","0.937","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213798","12.143","0.002","24.875","0.005","19.669","0.004","90","","102.9","0.03","90","","5791","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H6 Nd O10 -","- C16 H6 Nd O10 -","- C128 H48 Nd8 O80 -","8","1","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0598","0.0504","","","0.1486","0.1536","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213799","11.66","0.002","12.245","0.002","13.568","0.003","64.88","0.03","68.25","0.03","88.14","0.03","1611.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H18 Eu3 O26 -","- C48 H18 Eu3 O26 -","- C48 H18 Eu3 O26 -","1","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0407","0.0325","","","0.0838","0.0995","","","","","","1.076","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213800","11.609","0.002","12.227","0.002","13.554","0.003","65","0.03","69.14","0.03","87.75","0.03","1615.2","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H18 O26 Tb3 -","- C48 H18 O26 Tb3 -","- C48 H18 O26 Tb3 -","1","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0467","0.0393","","","0.1218","0.1247","","","","","","1.145","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213801","11.647","0.002","12.247","0.002","13.604","0.003","65.01","0.03","67.88","0.03","88.32","0.03","1609.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H18 N0 O26 Sm3 -","- C48 H18 O26 Sm3 -","- C48 H18 O26 Sm3 -","1","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0309","0.0274","","","0.0882","0.0899","","","","","","1.098","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213802","11.5976","0.0011","12.213","0.0011","13.5187","0.0012","65.039","0.006","68.351","0.006","87.858","0.006","1597.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H18 Dy3 N0 O26 -","- C48 H18 Dy3 O26 -","- C48 H18 Dy3 O26 -","1","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0428","0.0333","","","0.0802","0.083","","","","","","0.927","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213803","19.318","0.004","14.082","0.003","8.8793","0.0018","90","","100.31","0.03","90","","2376.5","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H6 Er2 O16 -","- C19 H6 Er2 O16 -","- C76 H24 Er8 O64 -","4","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0206","0.0193","","","0.0471","0.0476","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213804","10.5171","0.0004","18.7049","0.0006","10.6498","0.0006","90","","102.156","0.004","90","","2048.07","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O8 -","- C24 H20 N2 O8 -","- C96 H80 N8 O32 -","4","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0924","0.0494","","","0.0809","0.096","","","","","","1.001","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213805","19.8521","0.0019","17.5183","0.001","10.0543","0.0006","90","","90.024","0.007","90","","3496.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Co N O9 -","- C12 H16 Co N O9 -","- C96 H128 Co8 N8 O72 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0989","0.0776","","","0.1738","0.188","","","","","","1.056","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213806","19.9019","0.0015","17.4988","0.0009","10.0418","0.0004","90","","90.003","0.005","90","","3497.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Mn N O9 -","- C12 H16 Mn N O9 -","- C96 H128 Mn8 N8 O72 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0911","0.0711","","","0.1638","0.1718","","","","","","1.035","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213807","20.073","0.009","17.96","0.008","10.293","0.006","90","","94.471","0.01","90","","3699","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cd N O8 -","- C12 H16 Cd N O8 -","- C96 H128 Cd8 N8 O64 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.1119","0.0795","","","0.1821","0.1961","","","","","","1.062","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213808","27.733","0.015","10.217","0.006","14.405","0.008","90","","92.45","0.009","90","","4078","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 N6 O11 Zn2 -","- C44 H32 N6 O11 Zn2 -","- C176 H128 N24 O44 Zn8 -","4","0.5","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0745","0.0527","","","0.1482","0.1624","","","","","","1.057","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213809","10.235","0.005","9.554","0.005","24.242","0.009","90","","112.62","0.016","90","","2188.2","1.8","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C44 H42 Cd2 N6 O13 -","- C44 H36 Cd2 N6 O13 -","- C88 H72 Cd4 N12 O26 -","2","0.5","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0483","0.0384","","","0.0971","0.1027","","","","","","1.014","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213810","27.937","0.008","10.472","0.003","14.34","0.005","90","","90.467","0.007","90","","4195","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N3 O5 Zn -","- C24 H16 N3 O5 Zn -","- C192 H128 N24 O40 Zn8 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0987","0.0546","","","0.1234","0.1392","","","","","","1.035","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213811","10.746","0.004","15.84","0.005","15.859","0.006","90","","130.94","0.04","90","","2039.2","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cu N3 O5 -","- C24 H18 Cu N3 O5 -","- C96 H72 Cu4 N12 O20 -","4","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0512","0.0388","","","0.0907","0.0972","","","","","","1.014","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213812","28.13","0.004","9.703","0.005","15.619","0.006","90","","100.37","0.03","90","","4193","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N3 Ni O6 -","- C22 H18 N3 Ni O6 -","- C176 H144 N24 Ni8 O48 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.1319","0.0631","","","0.1327","0.1569","","","","","","1.033","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213813","10.523","0.004","16.289","0.007","11.71","0.004","90","","91.087","0.007","90","","2006.8","1.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N3 O5 Zn -","- C24 H18 N3 O5 Zn -","- C96 H72 N12 O20 Zn4 -","4","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0832","0.0525","","","0.1122","0.1274","","","","","","0.977","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213814","11.405","0.0008","11.156","0.0008","15.193","0.0011","90","","94.211","0.001","90","","1927.9","0.2","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C44 H34 Cu N6 O8 -","- C44 H34 Cu N6 O8 -","- C88 H68 Cu2 N12 O16 -","2","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0625","0.0402","","","0.0731","0.0786","","","","","","1.005","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213815","14.424","0.005","16.241","0.006","16.635","0.01","104.014","0.009","105.078","0.009","109.873","0.006","3296","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H49 N5 O4 -","- C33 H49 N5 O4 -","- C132 H196 N20 O16 -","4","2","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of self-assembled peptidomimetic microspheres and hydrogen peroxide responsive release of nicotinamide","CrystEngComm","2014","16","12","2527","","10.1039/c3ce41796d","","","0.71073","MoKα","","0.1274","0.0887","","","0.2717","0.3288","","","","","","1.258","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213816","7.1357","0.0005","20.7857","0.0012","7.6013","0.0004","90","","116.33","0.003","90","","1010.46","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O4 -","- C9 H9 N3 O4 -","- C36 H36 N12 O16 -","4","1","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of self-assembled peptidomimetic microspheres and hydrogen peroxide responsive release of nicotinamide","CrystEngComm","2014","16","12","2527","","10.1039/c3ce41796d","","","0.71073","MoKα","","0.0806","0.0582","","","0.1594","0.1824","","","","","","0.923","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213817","13.466","0.005","9.033","0.003","18.952","0.007","90","","95.102","0.005","90","","2296.2","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl2 N6 O3 S4 U -","- C14 H12 Cl2 N6 O3 S4 U -","- C56 H48 Cl8 N24 O12 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0354","0.0281","","","0.0541","0.0561","","","","","","1.008","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213818","6.4685","0.0013","15.007","0.003","25.732","0.005","90","","90","","90","","2497.9","0.9","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C14 H14 Br2 N6 O4 S4 U -","- C14 H10 Br2 N6 O4 S4 U -","- C56 H40 Br8 N24 O16 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0313","0.0243","","","0.0526","0.0549","","","","","","1.057","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213819","6.6151","0.0018","14.993","0.004","25.896","0.007","90","","91.068","0.004","90","","2567.9","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 I2 N6 O4 S4 U -","- C14 H10 I2 N6 O4 S4 U -","- C56 H40 I8 N24 O16 S16 U4 -","4","1","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0736","0.057","","","0.1276","0.1333","","","","","","1.15","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213820","6.7452","0.0004","15.1032","0.0008","25.9377","0.0014","90","","90","","90","","2642.4","0.3","293","2","293","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C14 H14 I2 N6 O4 S4 U -","- C14 H10 I2 N6 O4 S4 U -","- C56 H40 I8 N24 O16 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.072","0.0358","","","0.0648","0.0752","","","","","","1.001","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213821","13.407","0.003","8.8724","0.0017","24.9","0.005","90","","102.363","0.003","90","","2893.2","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N8 O7 S6 U -","- C16 H10 N8 O7 S6 U -","- C64 H40 N32 O28 S24 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0338","0.0317","","","0.0765","0.0775","","","","","","1.032","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213822","14.654","0.002","9.0207","0.0014","17.766","0.003","90","","92.078","0.002","90","","2346.9","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N6 O3 S4 U -","- C16 H16 N6 O3 S4 U -","- C64 H64 N24 O12 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0264","0.0223","","","0.0449","0.046","","","","","","1.067","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213823","8.761","0.002","16.018","0.004","16.129","0.004","90","","95.282","0.004","90","","2253.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H18 N6 O3 S4 U -","- C16 H16 N6 O3 S4 U -","- C64 H64 N24 O12 S16 U4 -","4","1","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0591","0.0418","","","0.0909","0.0986","","","","","","1.031","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213824","8.758","0.0007","16.0178","0.0014","16.1291","0.0014","90","","95.253","0.001","90","","2253.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H16 N8 O3 S4 U -","- C14 H14 N8 O3 S4 U -","- C56 H56 N32 O12 S16 U4 -","4","1","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0497","0.0345","","","0.0594","0.0631","","","","","","1.061","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213825","13.3879","0.0015","8.6863","0.001","23.486","0.003","90","","98.305","0.001","90","","2702.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 N8 O3 S4 U -","- C18 H22 N8 O3 S4 U -","- C72 H88 N32 O12 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0156","0.0151","","","0.0345","0.0347","","","","","","1.215","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213826","8.4358","0.0018","10.074","0.002","15.079","0.003","71.071","0.005","87.931","0.006","67.631","0.006","1115.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N3 O9 Zn1.5 -","- C22 H21 N3 O9 Zn1.5 -","- C44 H42 N6 O18 Zn3 -","2","1","","Niu, Yan-Fei; Zhao, Wen; Han, Jie; GeTian,; Zhao, Xiao-Li","Unprecedented metal-ion metathesis in a metal‒carboxylate chain-based metal‒organic framework","CrystEngComm","2014","16","12","2344","","10.1039/c3ce42214c","","","0.71073","MoKα","","0.0445","0.0411","","","0.1209","0.1268","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213827","6.4411","0.0004","6.8211","0.0004","10.012","0.0006","94.14","0.003","93.01","0.003","117.31","0.003","388.01","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 N O5 Sr -","- C7 H5 N O5 Sr -","- C14 H10 N2 O10 Sr2 -","2","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0186","0.0181","","","0.0488","0.0491","","","","","","1.169","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213828","7.4636","0.0015","10.502","0.002","11.744","0.002","98.5","0.03","94.57","0.03","92.14","0.03","906.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cu N2 O12 Sr -","- C14 H14 Cu N2 O12 Sr -","- C28 H28 Cu2 N4 O24 Sr2 -","2","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.029","0.022","","","0.0568","0.0594","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213829","7.3083","0.0005","12.0765","0.0009","13.4566","0.0009","112.818","0.001","95.89","0.001","103.909","0.001","1036.85","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 Co2 N4 O29 Sr2 -","- C28 H38 Co2 N4 O29 Sr2 -","- C28 H38 Co2 N4 O29 Sr2 -","1","0.5","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0376","0.0281","","","0.0619","0.0654","","","","","","1.009","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213830","18.324","0.003","13.794","0.003","8.7635","0.0017","90","","107.405","0.003","90","","2113.7","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 N2 Ni O15 Sr -","- C14 H20 N2 Ni O15 Sr -","- C56 H80 N8 Ni4 O60 Sr4 -","4","0.5","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.04","0.0336","","","0.0936","0.0967","","","","","","1.048","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213831","7.323","0.004","22.223","0.011","16.991","0.009","90","","90","","90","","2765","3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H28 N2 Ni O19 Sr -","- C14 H27 N2 Ni O19 Sr -","- C56 H108 N8 Ni4 O76 Sr4 -","4","0.5","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0412","0.0342","","","0.1276","0.1323","","","","","","1.16","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213832","8.5324","0.0013","22.302","0.003","16.57","0.002","90","","93.783","0.003","90","","3146.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N3 Ni O22 Sr2 -","- C21 H29 N3 Ni O22 Sr2 -","- C84 H116 N12 Ni4 O88 Sr8 -","4","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0534","0.0334","","","0.0681","0.0745","","","","","","1.011","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213833","7.917","0.004","10.835","0.005","20.769","0.01","90","","92.825","0.01","90","","1779.4","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O13 Sr Zn -","- C14 H14 N2 O13 Sr Zn -","- C56 H56 N8 O52 Sr4 Zn4 -","4","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0479","0.0378","","","0.1015","0.1107","","","","","","1.06","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213834","16.484","0.003","14.875","0.003","26.826","0.005","90","","90","","90","","6578","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H33 N3 O24 Sr2 Zn -","- C21 H31 N3 O24 Sr2 Zn -","- C168 H248 N24 O192 Sr16 Zn8 -","8","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0354","0.0248","","","0.0551","0.0586","","","","","","1.027","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213835","9.86","0.002","13.113","0.003","11.65","0.002","90","","101.99","0.03","90","","1473.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cd N2 O6 -","- C12 H12 Cd N2 O6 -","- C48 H48 Cd4 N8 O24 -","4","1","","Gao, Song; Fan, Rui-Qing; Qiang, Liang-Sheng; Wang, Ping; Chen, Shuo; Wang, Xin-Ming; Yang, Yu-Lin","Effects of solvents and temperature on the luminescence properties of Cd-isonicotinic acid frameworks based on mono-, bi-, and trinuclear cluster units","CrystEngComm","2014","16","6","1113","","10.1039/c3ce42216j","","","0.71073","MoKα","","0.1051","0.1022","","","0.2763","0.2771","","","","","","1.078","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213836","10.39","0.002","12.295","0.003","12.497","0.003","79.31","0.03","68.2","0.03","69.58","0.03","1386.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cd2 N4 O10 S -","- C18 H22 Cd2 N4 O10 S -","- C36 H44 Cd4 N8 O20 S2 -","2","1","","Gao, Song; Fan, Rui-Qing; Qiang, Liang-Sheng; Wang, Ping; Chen, Shuo; Wang, Xin-Ming; Yang, Yu-Lin","Effects of solvents and temperature on the luminescence properties of Cd-isonicotinic acid frameworks based on mono-, bi-, and trinuclear cluster units","CrystEngComm","2014","16","6","1113","","10.1039/c3ce42216j","","","0.71073","MoKα","","0.0832","0.0555","","","0.1563","0.1735","","","","","","1.057","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213837","12.048","0.002","12.28","0.003","19.092","0.004","91.92","0.03","98.1","0.03","117.88","0.03","2455.9","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Cd3 N5.5 O11.5 -","- C33 H21 Cd3 N5.5 O11.5 -","- C66 H42 Cd6 N11 O23 -","2","1","","Gao, Song; Fan, Rui-Qing; Qiang, Liang-Sheng; Wang, Ping; Chen, Shuo; Wang, Xin-Ming; Yang, Yu-Lin","Effects of solvents and temperature on the luminescence properties of Cd-isonicotinic acid frameworks based on mono-, bi-, and trinuclear cluster units","CrystEngComm","2014","16","6","1113","","10.1039/c3ce42216j","","","0.71073","MoKα","","0.045","0.0405","","","0.1332","0.1378","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213838","8.8851","0.0004","14.3096","0.0004","8.3842","0.0004","90","","93.12","0.005","90","","1064.41","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cu N6 O10 -","- C22 H16 Cu N6 O10 -","- C44 H32 Cu2 N12 O20 -","2","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0545","0.0355","","","0.0689","0.0752","","","","","","1.006","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213839","8.4928","0.0005","9.6404","0.0006","12.5967","0.0008","68.102","0.006","71.434","0.006","64.579","0.006","848.72","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cu N8 O12 -","- C30 H34 Cu N8 O12 -","- C30 H34 Cu N8 O12 -","1","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0582","0.0429","","","0.0894","0.099","","","","","","1.061","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213840","9.4293","0.0004","10.2259","0.0005","17.1533","0.0011","91.634","0.005","99.933","0.004","93.062","0.004","1625.66","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Co2 N8 O12 -","- C28 H21 Co2 N8 O12 -","- C56 H42 Co4 N16 O24 -","2","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0932","0.0545","","","0.099","0.1145","","","","","","1.042","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213841","9.3382","0.001","9.6636","0.0009","10.2665","0.0011","98.072","0.008","95.881","0.009","101.077","0.009","892.16","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Co N4 O8 -","- C14 H18 Co N4 O8 -","- C28 H36 Co2 N8 O16 -","2","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0388","0.034","","","0.0845","0.089","","","","","","1.046","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213842","11.0788","0.0004","12.6965","0.001","12.7879","0.0006","65.776","0.006","86.62","0.003","83.387","0.004","1629.34","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H62 Co5 N16 O28 -","- C56 H62 Co5 N16 O28 -","- C56 H62 Co5 N16 O28 -","1","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0666","0.0473","","","0.1092","0.1202","","","","","","1.015","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213843","8.912","0.0005","10.0898","0.0006","10.3129","0.0004","67.551","0.004","67.6","0.005","77.935","0.005","790.2","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cd N4 O6 -","- C14 H14 Cd N4 O6 -","- C28 H28 Cd2 N8 O12 -","2","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0321","0.0275","","","0.0622","0.0646","","","","","","1.038","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213844","8.8056","0.0007","17.5516","0.0011","13.9196","0.0011","90","","126.483","0.005","90","","1729.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cd N4 O6 -","- C15 H16 Cd N4 O6 -","- C60 H64 Cd4 N16 O24 -","4","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0666","0.0442","","","0.0959","0.107","","","","","","1.07","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213845","7.8508","0.0005","17.7308","0.001","10.7154","0.0007","90","","93.285","0.006","90","","1489.14","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cd2 N6 O17 -","- C22 H28 Cd2 N6 O17 -","- C44 H56 Cd4 N12 O34 -","2","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0347","0.0275","","","0.0574","0.0625","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213846","7.8034","0.0004","17.5927","0.0009","10.5797","0.0005","90","","93.25","0.005","90","","1450.08","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Mn2 N6 O17 -","- C22 H28 Mn2 N6 O17 -","- C44 H56 Mn4 N12 O34 -","2","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0383","0.0333","","","0.0851","0.0886","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213847","9.7401","0.0003","15.6078","0.0003","16.5583","0.0004","90","","123.019","0.002","90","","2110.66","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Mn N5 O7 -","- C17 H13 Mn N5 O7 -","- C68 H52 Mn4 N20 O28 -","4","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0511","0.0412","","","0.1074","0.1141","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213848","11.435","0.0007","5.204","0.0002","16.4787","0.001","90","","124.283","0.004","90","","810.24","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N O4 P Zn -","- C5 H7 N O4 P Zn -","- C20 H28 N4 O16 P4 Zn4 -","4","1","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71073","MoKα","","0.0539","0.0456","","","0.1128","0.1224","","","","","","1.081","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213849","16.696","","14.997","","7.4","","90","","104.42","","90","","1794.51","","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H15 N2 Ni O10 P -","- C10 H15 N2 Ni O10 P -","- C40 H60 N8 Ni4 O40 P4 -","4","1","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71073","MoKα","","0.0597","0.0553","","","0.1455","0.1487","","","","","","1.034","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213850","17.189","0.005","14.748","0.005","7.469","0.005","90","","100.047","0.005","90","","1864.4","1.5","195","2","195","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H30 Co2 N4 O21 P2 -","- C20 H30 Co2 N4 O21 P2 -","- C40 H60 Co4 N8 O42 P4 -","2","0.5","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71069","MoKα","","0.0598","0.0541","","","0.1285","0.1321","","","","","","1.053","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213851","11.032","0.0005","11.032","0.0005","22.838","0.0013","90","","90","","120","","2407.1","0.2","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C30 H42 Co3 N6 O15 P2 -","- C30 H36 Co3 N6 O14.996 P2 -","- C60 H72 Co6 N12 O29.992 P4 -","2","0.0833333","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71073","MoKα","","0.0808","0.0661","","","0.1503","0.1584","","","","","","1.015","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213852","7.9316","0.0004","11.5548","0.0003","20.3743","0.001","87.909","0.003","80.351","0.004","75.405","0.003","1781.41","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H37 N6 O11 Zn2 -","- C34 H29 N6 O11 Zn2 -","- C68 H58 N12 O22 Zn4 -","2","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.0656","0.0379","","","0.0772","0.0824","","","","","","0.883","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213853","10.088","0.0004","10.185","0.0004","15.041","0.0007","109.498","0.004","92.338","0.004","115.87","0.09","1278.7","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N6 O6 Zn -","- C22 H30 N6 O6 Zn -","- C44 H60 N12 O12 Zn2 -","2","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.0563","0.04","","","0.1082","0.1125","","","","","","0.939","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213854","10.142","0.002","11.524","0.002","11.819","0.002","85.816","0.015","88.121","0.017","77.469","0.017","1344.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H32 Cd0 N6 O8 Zn -","- C23 H32 N6 O8 Zn -","- C46 H64 N12 O16 Zn2 -","2","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","1.54184","CuKα","","0.1288","0.0731","","","0.1671","0.1969","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213855","30.249","0.003","9.1097","0.0003","18.2763","0.0013","90","","122.814","0.011","90","","4232.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 N12 O8 Zn2 -","- C38 H30 N12 O8 Zn2 -","- C152 H120 N48 O32 Zn8 -","4","0.5","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","1.54184","CuKα","","0.1069","0.0722","","","0.1742","0.1908","","","","","","1.079","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213856","10.149","0.0007","10.423","0.0007","14.596","0.001","75.494","0.006","81.455","0.006","66.286","0.007","1366.58","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 Cd N6 O7 -","- C22 H18 Cd N6 O7 -","- C44 H36 Cd2 N12 O14 -","2","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.0511","0.0367","","","0.095","0.098","","","","","","0.949","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213857","10.1865","0.001","13.716","0.002","15.936","0.002","111.617","0.013","93.704","0.009","95.474","0.01","2048.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H90 Cd4 N18 O17 -","- C74 H88 Cd4 N18 O17 -","- C74 H88 Cd4 N18 O17 -","1","0.5","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.1002","0.0393","","","0.0657","0.0735","","","","","","0.781","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213858","17.429","0.003","5.81","0.001","25.244","0.005","90","","130.351","0.012","90","","1948.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cl2 N6 Zn -","- C14 H24 Cl2 N6 Zn -","- C56 H96 Cl8 N24 Zn4 -","4","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.1255","0.0317","","","0.0334","0.0373","","","","","","0.635","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213859","15.0205","0.0016","8.6335","0.001","10.1078","0.0011","90","","95.43","0.002","90","","1304.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Fe N2 O16 P4 -","- C20 H28 Fe N2 O16 P4 -","- C40 H56 Fe2 N4 O32 P8 -","2","0.5","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.0483","0.0418","","","0.1267","0.1323","","","","","","1.004","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213860","15.2874","0.0018","8.1363","0.001","11.36","0.0014","90","","94.136","0.002","90","","1409.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O8 P2 Zn2 -","- C10 H11 N O8 P2 Zn2 -","- C40 H44 N4 O32 P8 Zn8 -","4","1","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.0586","0.0344","","","0.0923","0.116","","","","","","1.002","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213861","15.5562","0.0015","9.6049","0.0009","10.2192","0.001","90","","99.109","0.002","90","","1507.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Fe2 N O9 P2 -","- C10 H13 Fe2 N O9 P2 -","- C40 H52 Fe8 N4 O36 P8 -","4","1","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.0584","0.0423","","","0.0972","0.1042","","","","","","1.015","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213862","18.5137","0.0012","19.2404","0.0012","8.0478","0.0005","90","","90","","90","","2866.7","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C10 H13 N O8 P2 Zn -","- C10 H13 N O8 P2 Zn -","- C80 H104 N8 O64 P16 Zn8 -","8","1","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.061","0.0392","","","0.0635","0.0679","","","","","","1","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213863","15.209","0.003","14.377","0.003","12.81","0.003","90","","91.73","0.03","90","","2799.8","1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H66 Co5 N4 O57 V11 -","- C6 H20 Co5 N4 O57 V11 -","- C12 H40 Co10 N8 O114 V22 -","2","0.25","","Liang, Yue; Zhang, Zhi-Ming; Liu, Zhu-Jun; Zhang, Ying; Zhang, Jun; Wang, En-Bo","A cobalt-containing pseudosandwich-type polyoxometalate based on a lacunary Lindqvist polyoxovanadate","CrystEngComm","2014","16","6","1187","","10.1039/c3ce41278d","","","0.71073","MoKα","","0.0791","0.0717","","","0.1686","0.1727","","","","","","0.967","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213864","26.75","0.009","14.879","0.004","18.279","0.006","90","","107.645","0.005","90","","6933","4","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 Cl2 Cu N2 O6 -","- C34 H33 Cl2 Cu N2 O5.5 -","- C272 H264 Cl16 Cu8 N16 O44 -","8","1","","Guo, Fang; Shao, Hui-de; Yang, Qi; Famulari, Antonino; Martí-Rujas, Javier","Mechanochemical dehydrochlorination and chelation reaction in the solid state: from a molecular salt to a coordination complex","CrystEngComm","2014","16","6","969","","10.1039/c3ce41900b","","","0.71073","MoKα","","0.0732","0.0634","","","0.1451","0.1512","","","","","","1.15","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213865","15.971","0.004","16.246","0.003","16.318","0.004","90","","103.582","0.014","90","","4115.5","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cd Cl2 N2 O5 -","- C18 H14 Cd Cl2 N2 O5 -","- C144 H112 Cd8 Cl16 N16 O40 -","8","1","","Ren, Cai-Xia; Zheng, Ai-Li; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Jie","Anion-induced structural transformation involving interpenetration control and luminescence switching","CrystEngComm","2014","16","6","1038","","10.1039/c3ce42164c","","","0.71073","MoKα","","0.0508","0.0429","","","0.1181","0.1272","","","","","","1.009","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213866","9.1906","0.0007","11.3629","0.0006","13.6819","0.0011","113.6","0.006","105.419","0.007","91.254","0.006","1248.81","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cd N2 O9 -","- C26 H18 Cd N2 O9 -","- C52 H36 Cd2 N4 O18 -","2","1","","Ren, Cai-Xia; Zheng, Ai-Li; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Jie","Anion-induced structural transformation involving interpenetration control and luminescence switching","CrystEngComm","2014","16","6","1038","","10.1039/c3ce42164c","","","1.54178","CuKα","","0.068","0.0604","","","0.1562","0.1629","","","","","","1.039","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213867","18.433","0.003","17.712","0.003","30.096","0.005","90","","90","","90","","9826","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C88 H100 Cd3 Cl2 N8 O34 -","- C88 H64 Cd3 Cl2 N8 O34 -","- C352 H256 Cd12 Cl8 N32 O136 -","4","0.5","","Ren, Cai-Xia; Zheng, Ai-Li; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Jie","Anion-induced structural transformation involving interpenetration control and luminescence switching","CrystEngComm","2014","16","6","1038","","10.1039/c3ce42164c","","","0.71073","MoKα","","0.0752","0.0648","","","0.2061","0.2198","","","","","","1.086","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213868","18.3083","0.0018","6.8191","0.0005","22.558","0.002","90","","101.519","0.001","90","","2759.6","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N10 -","- C32 H24 N10 -","- C128 H96 N40 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.0742","0.0444","","","0.0952","0.1061","","","","","","1.031","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213869","19.6653","0.0018","11.3358","0.0011","14.1097","0.0012","90","","90","","90","","3145.4","0.5","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H24 Cl2 N10 Zn -","- C32 H24 Cl2 N10 Zn -","- C128 H96 Cl8 N40 Zn4 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1508","0.0639","","","0.1382","0.1952","","","","","","1.051","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213870","10.2118","0.0009","18.3727","0.0017","18.2062","0.0016","90","","96.234","0.001","90","","3395.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Br2 N10 Zn -","- C32 H24 Br2 N10 Zn -","- C128 H96 Br8 N40 Zn4 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1663","0.0865","","","0.2127","0.2488","","","","","","0.881","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213871","10.5859","0.0007","16.938","0.0014","19.398","0.002","90","","96.545","0.001","90","","3455.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 I2 N10 Zn -","- C32 H24 I2 N10 Zn -","- C128 H96 I8 N40 Zn4 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.133","0.0818","","","0.2048","0.2499","","","","","","1.023","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213872","7.821","0.0005","44.97","0.003","11.0991","0.0009","90","","134.49","0.002","90","","2784.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 Cd Cl2 N20 -","- C64 H48 Cd Cl2 N20 -","- C128 H96 Cd2 Cl4 N40 -","2","0.5","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1047","0.0782","","","0.1815","0.1932","","","","","","1.178","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213873","7.9001","0.0007","44.62","0.003","8.0308","0.0004","90","","91.642","0.002","90","","2829.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H48 Br2 Cd N20 -","- C64 H48 Br2 Cd N20 -","- C128 H96 Br4 Cd2 N40 -","2","0.5","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.0983","0.0541","","","0.0995","0.1215","","","","","","1.059","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213874","10.8437","0.0011","16.6662","0.0016","19.6797","0.0018","90","","96.639","0.001","90","","3532.7","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cd I2 N10 -","- C32 H24 Cd I2 N10 -","- C128 H96 Cd4 I8 N40 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.0815","0.0513","","","0.1309","0.1444","","","","","","1.091","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213875","36.645","0.003","8.739","0.0006","25.427","0.002","90","","104.304","0.001","90","","7890.3","1","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H70 Cl2 Co2 N25 O12 S2 -","- C75.006 H70.012 Cl2 Co2 N25 O12 S2 -","- C300.024 H280.048 Cl8 Co8 N100 O48 S8 -","4","0.5","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1042","0.062","","","0.1585","0.1753","","","","","","1.067","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213876","34.166","0.003","8.528","0.0009","24.721","0.002","90","","99.831","0.002","90","","7097.1","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H48 Cl3 Cu2 N23 O12 -","- C64 H48 Cl3 Cu2 N23 O12 -","- C256 H192 Cl12 Cu8 N92 O48 -","4","0.5","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.0726","0.0582","","","0.1777","0.1882","","","","","","1.072","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213877","25.574","0.002","8.7383","0.0008","18.346","0.002","90","","116.964","0.001","90","","3654.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 Cl2 N2 O Ru -","- C17 H22 Cl2 N2 O Ru -","- C136 H176 Cl16 N16 O8 Ru8 -","8","1","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.0806","0.0448","","","0.0929","0.1171","","","","","","1.205","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213878","8.723","0.009","9.227","0.009","12.62","0.01","74.26","0.01","69.8","0.01","89.74","0.01","913","1.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H22 Cl2 N2 O Ru -","- C17 H22 Cl2 N2 O Ru -","- C34 H44 Cl4 N4 O2 Ru2 -","2","2","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.1761","0.1265","","","0.3327","0.3864","","","","","","1.5","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213879","7.766","0.001","9.144","0.001","15.613","0.002","83.304","0.003","82.977","0.003","69.036","0.003","1024.4","0.2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 Cl2 N2 O2 Ru -","- C18 H26 Cl2 N2 O2 Ru -","- C36 H52 Cl4 N4 O4 Ru2 -","2","1","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.0556","0.048","","","0.1241","0.1279","","","","","","1.01","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213880","7.6649","0.0009","9.0707","0.0011","19.817","0.002","87.882","0.002","89.682","0.002","70.084","0.002","1294.5","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H32 Cl2 N2 O2 Ru -","- C25 H32 Cl2 N2 O2 Ru -","- C50 H64 Cl4 N4 O4 Ru2 -","2","1","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.0349","0.0276","","","0.0665","0.0698","","","","","","0.91","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213881","9.516","0.005","9.814","0.005","14.001","0.005","74.216","0.005","82.094","0.005","67.846","0.005","1164.5","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H28 Cl2 N2 O2 Ru -","- C23 H28 Cl2 N2 O2 Ru -","- C46 H56 Cl4 N4 O4 Ru2 -","2","1","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.0295","0.0267","","","0.0671","0.0684","","","","","","1.068","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213882","9.3925","0.0012","10.0156","0.0016","12.669","0.0016","84.282","0.002","80.105","0.002","71.028","0.002","1109.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H14 Co N4 O6 S2 -","- C23 H14 Co N4 O6 S2 -","- C46 H28 Co2 N8 O12 S4 -","2","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0318","0.0284","","","0.0985","0.1007","","","","","","1.06","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213883","10.2077","0.0006","10.5027","0.0006","14.5086","0.0009","94.454","0.001","98.649","0.001","91.289","0.001","1532.19","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H18 Co F6 N4 O4 S2 -","- C31 H18 Co F6 N4 O4 S2 -","- C62 H36 Co2 F12 N8 O8 S4 -","2","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0699","0.0531","","","0.1497","0.1569","","","","","","1.05","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213884","17.8224","0.0012","27.27","0.0019","18.3256","0.0012","90","","110.532","0.001","90","","8340.8","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H56 N16 O16 S8 Zn4 -","- C88 H56 N16 O16 S8 Zn4 -","- C352 H224 N64 O64 S32 Zn16 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0646","0.0468","","","0.1054","0.1068","","","","","","1","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213885","21.33","0.003","8.1009","0.0013","30.993","0.003","90","","122.46","0.007","90","","4518.7","1.1","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C41 H21 F12 N2 O8 S Zn2 -","- C41 H21 F12 N2 O8 S Zn2 -","- C164 H84 F48 N8 O32 S4 Zn8 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0704","0.0424","","","0.1014","0.1091","","","","","","1.002","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213886","9.5686","0.0008","10.3542","0.0008","11.0911","0.0009","80.148","0.001","83.52","0.001","72.515","0.001","1030.42","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 Cd N4 O4 S2 -","- C22 H14 Cd N4 O4 S2 -","- C44 H28 Cd2 N8 O8 S4 -","2","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0301","0.0276","","","0.0704","0.0716","","","","","","1.013","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213887","9.4003","0.0006","9.8766","0.0007","12.0339","0.0008","82.475","0.001","80.707","0.001","72.367","0.001","1046.79","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 N4 O5 S2 Zn -","- C22 H14 N4 O5 S2 Zn -","- C44 H28 N8 O10 S4 Zn2 -","2","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0286","0.0256","","","0.0817","0.0836","","","","","","1.028","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213888","10.4879","0.001","20.6148","0.0019","15.51","0.0011","90","","121.819","0.005","90","","2849.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O4 S2 Zn -","- C24 H24 N4 O4 S2 Zn -","- C96 H96 N16 O16 S8 Zn4 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0672","0.0512","","","0.1348","0.1367","","","","","","1.092","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213889","11.4985","0.0003","21.276","0.0006","21.4387","0.0006","77.071","0.002","80.672","0.002","88.411","0.002","5044","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H53 Co2 N7 O19 -","- C61 H53 Co2 N7 O19 -","- C122 H106 Co4 N14 O38 -","2","1","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.7107","MoKα","","0.0756","0.0565","","","0.1683","0.1788","","","","","","0.922","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213890","11.744","0.002","19.878","0.004","36.094","0.007","90","","90","","90","","8426","3","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C26 H16 Cu N2 O9 -","- C26 H16 Cu N2 O9 -","- C208 H128 Cu8 N16 O72 -","8","0.5","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.71073","MoKα","","0.1248","0.0793","","","0.2195","0.2488","","","","","","1.044","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213891","11.7133","0.0003","18.7995","0.0005","24.1755","0.0006","90","","90","","90","","5323.5","0.2","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H16 N3 O8 Zn -","- C20 H16 N3 O8 Zn -","- C160 H128 N24 O64 Zn8 -","8","1","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.71073","MoKα","","0.0812","0.0629","","","0.1713","0.1834","","","","","","1.053","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213892","15.1796","0.0007","15.6453","0.0005","16.984","0.0015","90","","119.218","0.005","90","","3520.3","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C55 H41 Cd2 N5 O20 -","- C55 H41 Cd2 N5 O20 -","- C110 H82 Cd4 N10 O40 -","2","0.5","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.71073","MOKα","","0.1062","0.0867","","","0.2439","0.2622","","","","","","1.069","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213893","5.5791","0.0016","7.683","0.003","16.223","0.004","89.07","0.02","83.89","0.02","84.51","0.03","688.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Br N O -","- C17 H12 Br N O -","- C34 H24 Br2 N2 O2 -","2","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.1319","0.0754","","","0.1368","0.1571","","","","","","1.179","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213894","5.5931","0.0012","7.6167","0.0019","15.88","0.004","88.41","0.02","83.971","0.018","84.915","0.019","670","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C34 H24 Cl2 N2 O2 -","2","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.1012","0.0954","","","0.1231","0.1542","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213895","5.6099","0.0014","7.6163","0.0019","14.943","0.003","88.73","0.019","84.005","0.019","85.28","0.02","632.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 F N O -","- C17 H12 F N O -","- C34 H24 F2 N2 O2 -","2","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.107","0.0631","","","0.1718","0.2027","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213896","32.1685","0.0016","10.7211","0.0004","8.2676","0.0005","90","","95.678","0.004","90","","2837.4","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 I N O -","- C17 H12 I N O -","- C136 H96 I8 N8 O8 -","8","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.0793","0.0536","","","0.1177","0.1292","","","","","","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213897","6.364","0.003","17.187","0.009","12.649","0.007","90","","102.71","0.04","90","","1349.6","1.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Br N2 O -","- C16 H11 Br N2 O -","- C64 H44 Br4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.0951","0.0843","","","0.1432","0.1639","","","","","","1.15","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213898","14.176","0.003","6.0252","0.0011","15.551","0.004","90","","98.311","0.019","90","","1314.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.102","0.0826","","","0.1223","0.1423","","","","","","1.16","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213899","4.9506","0.0003","14.5932","0.0014","17.6779","0.0013","90","","90","","90","","1277.14","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.1199","0.0731","","","0.1387","0.1559","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213900","6.548","0.002","17.029","0.005","12.714","0.005","90","","102.06","0.03","90","","1386.4","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 I N2 O -","- C16 H11 I N2 O -","- C64 H44 I4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.0516","0.0411","","","0.1154","0.1216","","","","","","1.157","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213901","18.3217","0.0018","11.4532","0.0013","21.918","0.002","90","","110.307","0.005","90","","4313.5","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H65 Cu2 N O12 -","- C33 H65 Cu2 N O12 -","- C132 H260 Cu8 N4 O48 -","4","1","","Nesterova, Oksana V.; Kirillova, Marina V.; Guedes da Silva, M. Fátima C.; Boča, Roman; Pombeiro, Armando J. L.","How to force a classical chelating ligand to a metal non-chelating bridge: the observation of a rare coordination mode of diethanolamine in the 1D complex {[Cu2(Piv)4(H3tBuDea)](Piv)}n","CrystEngComm","2014","16","5","775","","10.1039/c3ce41657g","","","0.71069","MoKα","","0.0779","0.0489","","","0.1194","0.1347","","","","","","1.01","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213902","28.41","0.008","8.844","0.003","7.497","0.002","90","","90","","90","","1883.7","1","173","2","173","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C19 H19 Mn N O7 -","- C19 H12 Mn N O7 -","- C76 H48 Mn4 N4 O28 -","4","0.5","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0469","0.0417","","","0.1091","0.1231","","","","","","1.164","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213903","7.631","0.002","9.033","0.003","14.87","0.004","106.822","0.003","96.077","0.003","91.721","0.003","973.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N Ni O9 -","- C19 H23 N Ni O9 -","- C38 H46 N2 Ni2 O18 -","2","1","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0427","0.0328","","","0.0766","0.0809","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213904","27.086","0.003","27.086","0.003","6.7052","0.0009","90","","90","","90","","4919.3","1","296","2","296","2","","","","","","","","4","P 4/n b m :2","-P 4a 2b","125","","","","- C16 H12 Cu O7 -","- C16 H12 Cu O7 -","- C128 H96 Cu8 O56 -","8","0.5","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0577","0.0544","","","0.182","0.1844","","","","","","1.156","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213905","21.769","0.002","21.769","0.002","44.426","0.009","90","","90","","90","","21053","5","296","2","296","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C168 H148 Cd7 N4 Na2 O60 -","- C168 H145 Cd7 N4 Na2 O60 -","- C672 H580 Cd28 N16 Na8 O240 -","4","0.25","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0635","0.0565","","","0.1642","0.1703","","","","","","1.096","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213906","16.842","0.0002","16.842","0.0002","7.249","0.0002","90","","90","","90","","2056.2","0.07","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C2 H15 N6 O5 P -","- C2 H15 N6 O5 P -","- C16 H120 N48 O40 P8 -","8","1","","Liu, Xitao; Wang, Xinqiang; Yin, Xin; Liu, Shande; He, Wen; Zhu, Luyi; Zhang, Guanghui; Xu, Dong","Bulk growth and physical properties of diguanidinium phosphate monohydrate (G2HP) as a multi-functional crystal","CrystEngComm","2014","16","5","930","","10.1039/c3ce41896k","","","0.71073","MoKα","","0.0423","0.0313","","","0.069","0.0752","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213907","18.867","0.004","17.119","0.003","28.504","0.005","90","","112.252","0.011","90","","8521","3","113","2","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H56.5 Cl6 Co8 N31.5 O9 -","- C60 H36 Cl6 Co8 N24 O6 -","- C240 H144 Cl24 Co32 N96 O24 -","4","1","","Han, Song-De; Chen, Yong-Qiang; Zhao, Jiong-Peng; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Solvent-induced structural diversities from discrete cup-shaped Co8 clusters to Co8 cluster-based chains accompanied by in situ ligand conversion","CrystEngComm","2014","16","5","753","","10.1039/c3ce42007h","","","0.71075","MoKα","","0.1021","0.0831","","","0.1972","0.2079","","","","","","1.039","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213908","30.195","0.005","20.367","0.004","33.896","0.004","90","","123.24","0.01","90","","17435","5","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C136 H134 Cl8 Co16 N48 O27 -","- C126 H87 Cl8 Co16 N48 O17 -","- C504 H348 Cl32 Co64 N192 O68 -","4","1","","Han, Song-De; Chen, Yong-Qiang; Zhao, Jiong-Peng; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Solvent-induced structural diversities from discrete cup-shaped Co8 clusters to Co8 cluster-based chains accompanied by in situ ligand conversion","CrystEngComm","2014","16","5","753","","10.1039/c3ce42007h","","","0.71075","MoKα","","0.0854","0.0689","","","0.189","0.2038","","","","","","1.017","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213909","34.484","0.01","20.624","0.006","23.922","0.007","90","","90","","90","","17013","9","113","","113","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C140 H171 Cl8 Co16 N48 O41.5 -","- C124 H81 Cl8 Co16 N48 O16 -","- C496 H324 Cl32 Co64 N192 O64 -","4","1","","Han, Song-De; Chen, Yong-Qiang; Zhao, Jiong-Peng; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Solvent-induced structural diversities from discrete cup-shaped Co8 clusters to Co8 cluster-based chains accompanied by in situ ligand conversion","CrystEngComm","2014","16","5","753","","10.1039/c3ce42007h","","","0.71075","MoKα","","0.0905","0.0758","","","0.184","0.1961","","","","","","1.012","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213910","18.0747","0.0017","11.8777","0.0011","12.5442","0.0012","90","","90","","90","","2693.1","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H24 Cu3 N4 O12 -","- C26 H24 Cu3 N4 O12 -","- C104 H96 Cu12 N16 O48 -","4","0.5","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.034","0.0249","","","0.0625","0.0664","","","","","","1.029","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213911","9.703","0.002","9.703","0.002","13.09","0.003","80.909","0.002","77.613","0.002","62.896","0.002","1068.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 Cu2 N8 O11 -","- C46 H42 Cu2 N8 O11 -","- C46 H42 Cu2 N8 O11 -","1","0.5","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.0538","0.038","","","0.094","0.1039","","","","","","1.003","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213912","10.809","0.01","10.847","0.01","12.549","0.011","93.404","0.011","90.14","0.011","118.89","0.01","1285","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cu N4 O7 -","- C27 H28 Cu N4 O7 -","- C54 H56 Cu2 N8 O14 -","2","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.0973","0.0533","","","0.1016","0.1205","","","","","","1.01","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213913","9.846","0.007","14.108","0.01","19.466","0.014","97.416","0.008","104.173","0.008","104.323","0.009","2488","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 Mn3 N4 O26 -","- C44 H46 Mn3 N4 O26 -","- C88 H92 Mn6 N8 O52 -","2","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.0854","0.044","","","0.0913","0.1098","","","","","","1.011","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213914","9.6214","0.001","10.068","0.0011","12.9326","0.0014","80.07","0.001","81.24","0.001","62.315","0.001","1089","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Mn N4 O5 -","- C23 H20 Mn N4 O5 -","- C46 H40 Mn2 N8 O10 -","2","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.0442","0.0353","","","0.0999","0.1071","","","","","","1.042","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213915","16.564","0.004","18.302","0.004","15.879","0.003","90","","90","","90","","4813.8","1.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H24 Mn N4 O5 -","- C27 H24 Mn N4 O5 -","- C216 H192 Mn8 N32 O40 -","8","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.1346","0.0543","","","0.1072","0.1421","","","","","","0.993","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213916","8.1401","0.0014","18.984","0.003","35.484","0.006","97.85","0.004","94.141","0.004","97.048","0.004","5368.9","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H220 N60 Ni6 O26 -","- C168 H220 N60 Ni6 O26 -","- C168 H220 N60 Ni6 O26 -","1","0.5","","Jiang, Xiang; Li, Zijian; Zhai, Yanyun; Yan, Ge; Xia, Hua; Li, Zhaohao","Porous coordination polymers based on azamacrocyclic complex: syntheses, solvent-induced reversible crystal-to-crystal transformation and gas sorption properties","CrystEngComm","2014","16","5","805","","10.1039/c3ce42021c","","","0.71073","MoKα","","0.1636","0.0872","","","0.2149","0.2432","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213917","31.537","0.005","20.222","0.005","18.93","0.004","90","","120.102","0.004","90","","10444","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C180 H244 N64 Ni6 O28 -","- C180 H244 N64 Ni6 O28 -","- C360 H488 N128 Ni12 O56 -","2","0.25","","Jiang, Xiang; Li, Zijian; Zhai, Yanyun; Yan, Ge; Xia, Hua; Li, Zhaohao","Porous coordination polymers based on azamacrocyclic complex: syntheses, solvent-induced reversible crystal-to-crystal transformation and gas sorption properties","CrystEngComm","2014","16","5","805","","10.1039/c3ce42021c","","","0.71073","MoKα","","0.1797","0.0755","","","0.1627","0.1834","","","","","","1.045","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213918","8.589","0.004","17.784","0.009","38.729","0.019","90","","102.629","0.011","90","","5773","5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H114 N24 Ni3 O18 -","- C96 H114 N24 Ni3 O18 -","- C192 H228 N48 Ni6 O36 -","2","0.5","","Jiang, Xiang; Li, Zijian; Zhai, Yanyun; Yan, Ge; Xia, Hua; Li, Zhaohao","Porous coordination polymers based on azamacrocyclic complex: syntheses, solvent-induced reversible crystal-to-crystal transformation and gas sorption properties","CrystEngComm","2014","16","5","805","","10.1039/c3ce42021c","","","0.71073","MoKα","","0.151","0.0693","","","0.131","0.1492","","","","","","1.013","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213919","14.6204","0.001","7.6631","0.0004","16.002","0.002","90","","97.234","0.009","90","","1778.6","0.3","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H10 N3 O4 P -","- C5 H10 N3 O4 P -","- C40 H80 N24 O32 P8 -","8","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0405","0.0332","","","0.0973","0.1008","","","","","","1.11","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213920","10.9507","0.0004","6.4615","0.0002","11.2614","0.0003","90","","102.988","0.002","90","","776.45","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-aminopyridinium_hydrogenosulfate","","","- C5 H8 N2 O4 S -","- C5 H8 N2 O4 S -","- C20 H32 N8 O16 S4 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0409","0.033","","","0.0944","0.1","","","","","","1.065","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213921","9.1718","0.0006","6.9081","0.0004","10.8243","0.0007","90","","93.617","0.007","90","","684.46","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N3 O3 -","- C5 H7 N3 O3 -","- C20 H28 N12 O12 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0579","0.0518","","","0.1411","0.1433","","","","","","1.042","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213922","7.2785","0.0004","7.9141","0.0004","8.9022","0.0006","77.651","0.006","71.756","0.005","67.405","0.005","447.06","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 N2 O5 P -","- C5 H11 N2 O5 P -","- C10 H22 N4 O10 P2 -","2","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0308","0.027","","","0.0726","0.0791","","","","","","1.147","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213923","6.4515","0.0002","8.4229","0.0002","12.4728","0.0008","96.429","0.007","97.523","0.007","95.349","0.007","663.7","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 N4 O5 S -","- C10 H16 N4 O5 S -","- C20 H32 N8 O10 S2 -","2","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0375","0.0326","","","0.1001","0.1134","","","","","","1.192","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213924","7.0735","0.0005","11.0546","0.0008","9.4018","0.0006","90","","92.308","0.007","90","","734.57","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 N4 O3 -","- C5 H8 N4 O3 -","- C20 H32 N16 O12 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0409","0.0338","","","0.0853","0.0884","","","","","","1.098","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213925","17.0057","0.0011","12.7153","0.0004","9.1321","0.0003","90","","90","","90","","1974.66","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H11 N5 O7 -","- C5 H11 N5 O7 -","- C40 H88 N40 O56 -","8","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0301","0.0283","","","0.0747","0.0757","","","","","","1.081","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213926","15.2902","0.001","15.2902","0.001","13.2563","0.0007","90","","90","","90","","3099.2","0.3","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","bis(3,4-diaminopyridinium)_sulfate_dihydrate","","","- C10 H20 N6 O6 S -","- C10 H20 N6 O6 S -","- C80 H160 N48 O48 S8 -","8","0.5","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.1177","0.0622","","","0.154","0.1768","","","","","","1.024","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213927","6.9429","0.0003","10.2338","0.0005","14.5568","0.0008","103.319","0.002","100.97","0.003","92.592","0.003","983.78","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","3,4-diaminopyridinium_sulfate_dihydrate","","","- C5 H13 N3 O6 S -","- C5 H13 N3 O6 S -","- C20 H52 N12 O24 S4 -","4","2","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0981","0.0545","","","0.1187","0.1381","","","","","","1.054","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213928","9.8733","0.0003","13.7275","0.0005","16.1107","0.0005","102.603","0.001","105.275","0.001","106.803","0.002","1911.32","0.11","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Co2 N8 O10 -","- C36 H40 Co2 N8 O10 -","- C72 H80 Co4 N16 O20 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0846","0.0446","","","0.0922","0.1049","","","","","","1.015","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213929","14.9099","0.0005","21.0323","0.0007","8.5659","0.0003","90","","94.401","0.002","90","","2678.26","0.16","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Co N4 O9 -","- C19 H30 Co N4 O9 -","- C76 H120 Co4 N16 O36 -","4","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.1181","0.0715","","","0.2112","0.2437","","","","","","1.056","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213930","7.941","0.0003","10.7157","0.0004","12.0719","0.0004","93.337","0.002","93.883","0.002","111.134","0.002","952.17","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N4 O5 Zn -","- C17 H18 N4 O5 Zn -","- C34 H36 N8 O10 Zn2 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0663","0.049","","","0.1364","0.1483","","","","","","1.043","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213931","5.2008","0.0003","9.1754","0.0004","16.7077","0.0008","96.307","0.003","97.88","0.003","101.052","0.003","767.47","0.07","298","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 N2 O7 Zn -","- C12 H19 N2 O7 Zn -","- C24 H38 N4 O14 Zn2 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0674","0.0453","","","0.1026","0.1101","","","","","","1.034","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213932","8.6482","0.0002","10.2848","0.0002","12.7911","0.0003","93.53","0.001","108.249","0.001","111.453","0.001","985.46","0.04","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cd N4 O5 -","- C18 H20 Cd N4 O5 -","- C36 H40 Cd2 N8 O10 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0338","0.0292","","","0.0697","0.0721","","","","","","1.053","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213933","15.8904","0.0003","15.8904","0.0003","29.0281","0.001","90","","90","","90","","7329.7","0.3","298","","298","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C33 H34 Cd2 N10 O10 -","- C33 H34 Cd2 N10 O10 -","- C264 H272 Cd16 N80 O80 -","8","0.5","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0292","0.0238","","","0.0505","0.0531","","","","","","1.053","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213934","8.87","0.0018","22.049","0.004","15.806","0.003","90","","98.02","0.03","90","","3061","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 Dy F18 N4 O6 -","- C21 H11 Dy F18 N4 O6 -","- C84 H44 Dy4 F72 N16 O24 -","4","1","","Wang, Ya-Li; Gu, Bin; Ma, Yue; Xing, Cui; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","A new D2d-symmetry DyIII mononuclear single-molecule magnet containing a monodentate N-heterocyclic donor ligand","CrystEngComm","2014","16","11","2283","","10.1039/c3ce42212g","","","0.71073","MoKα","","0.0872","0.0598","","","0.1149","0.1247","","","","","","1.099","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213935","8.94","0.0018","22.222","0.004","15.95","0.003","90","","97.63","0.03","90","","3140.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 F18 N4 O6 Tb -","- C21 H11 F18 N4 O6 Tb -","- C84 H44 F72 N16 O24 Tb4 -","4","1","","Wang, Ya-Li; Gu, Bin; Ma, Yue; Xing, Cui; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","A new D2d-symmetry DyIII mononuclear single-molecule magnet containing a monodentate N-heterocyclic donor ligand","CrystEngComm","2014","16","11","2283","","10.1039/c3ce42212g","","","0.71073","MoKα","","0.0695","0.0551","","","0.1338","0.1428","","","","","","1.102","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213936","8.935","0.0018","22.252","0.004","16.011","0.003","90","","97.77","0.03","90","","3154.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 F18 Ho N4 O6 -","- C21 H11 F18 Ho N4 O6 -","- C84 H44 F72 Ho4 N16 O24 -","4","1","","Wang, Ya-Li; Gu, Bin; Ma, Yue; Xing, Cui; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","A new D2d-symmetry DyIII mononuclear single-molecule magnet containing a monodentate N-heterocyclic donor ligand","CrystEngComm","2014","16","11","2283","","10.1039/c3ce42212g","","","0.71073","MoKα","","0.0826","0.0602","","","0.1381","0.1498","","","","","","1.103","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213937","28.369","0.004","28.369","0.004","14.436","0.003","90","","90","","90","","11618","3","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C80 H66 As8 Cu4 N16 O43 V14 -","- C80 H64 As8 Cu4 N16 O43 V14 -","- C320 H256 As32 Cu16 N64 O172 V56 -","4","0.25","","Guo, Hai-Yang; Li, Zhi-Fang; Zhao, De-Chuan; Hu, Yang-Yang; Xiao, Li-Na; Cui, Xiao-Bing; Guan, Jing-Qi; Xu, Ji-Qing","The synthesis and characterization of three organic‒inorganic hybrids based on different transition metal complexes and {As8V14O42(H2O)} clusters","CrystEngComm","2014","16","11","2251","","10.1039/c3ce42450b","","","0.71073","MoKα","","0.1513","0.0654","","","0.1817","0.2244","","","","","","1.004","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213938","26.4776","0.0012","16.8267","0.0011","27.5248","0.0011","90","","90","","90","","12263.1","1.1","296","2","296","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C96 H66 As8 Cu4 N16 O43 V14 -","- C96 H64 As8 Cu4 N16 O43 V14 -","- C384 H256 As32 Cu16 N64 O172 V56 -","4","","","Guo, Hai-Yang; Li, Zhi-Fang; Zhao, De-Chuan; Hu, Yang-Yang; Xiao, Li-Na; Cui, Xiao-Bing; Guan, Jing-Qi; Xu, Ji-Qing","The synthesis and characterization of three organic‒inorganic hybrids based on different transition metal complexes and {As8V14O42(H2O)} clusters","CrystEngComm","2014","16","11","2251","","10.1039/c3ce42450b","","","0.71073","MoKα","","0.0894","0.0558","","","0.1337","0.1519","","","","","","0.998","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213939","15.118","0.002","15.118","0.002","38.962","0.008","90","","90","","90","","8905","2","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C36 H50 As8 N24 Ni2 O49 V14 -","- C36 H36 As8 N24 Ni2 O49 V14 -","- C144 H144 As32 N96 Ni8 O196 V56 -","4","0.25","","Guo, Hai-Yang; Li, Zhi-Fang; Zhao, De-Chuan; Hu, Yang-Yang; Xiao, Li-Na; Cui, Xiao-Bing; Guan, Jing-Qi; Xu, Ji-Qing","The synthesis and characterization of three organic‒inorganic hybrids based on different transition metal complexes and {As8V14O42(H2O)} clusters","CrystEngComm","2014","16","11","2251","","10.1039/c3ce42450b","","","0.71073","MoKα","","0.0516","0.0379","","","0.1029","0.1084","","","","","","1.036","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213940","14.9603","0.0011","17.1932","0.0013","27.477","0.002","90","","90","","90","","7067.5","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C74 H62 N8 O22 Zn5 -","- C74 H52 N8 O22 Zn5 -","- C296 H208 N32 O88 Zn20 -","4","0.5","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0847","0.0406","","","0.0863","0.1031","","","","","","1.004","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213941","28.3903","0.0012","13.8667","0.0006","14.3593","0.0006","90","","107.254","0.001","90","","5398.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 N4 O6 Zn -","- C29 H22 N4 O6 Zn -","- C232 H176 N32 O48 Zn8 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0412","0.034","","","0.0906","0.0946","","","","","","1.027","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213942","9.9705","0.0006","10.7624","0.0007","15.0951","0.0014","104.684","0.001","95.097","0.001","111.948","0.001","1422.59","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Cd N4 O7 -","- C29 H22 Cd N4 O7 -","- C58 H44 Cd2 N8 O14 -","2","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0524","0.0398","","","0.1002","0.1135","","","","","","1.07","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213943","11.774","0.005","11.812","0.005","14.993","0.005","97.373","0.005","93.976","0.005","114.192","0.005","1869.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 Cd2 N4 O10 -","- C37 H28 Cd2 N4 O10 -","- C74 H56 Cd4 N8 O20 -","2","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71069","MoKα","","0.0542","0.038","","","0.1011","0.1128","","","","","","1.075","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213944","13.977","0.005","17.017","0.005","24.062","0.005","90","0.005","93.727","0.005","90","0.005","5711","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 Cd N4 O5 -","- C29 H28 Cd N4 O5 -","- C232 H224 Cd8 N32 O40 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71069","MoKα","","0.0594","0.036","","","0.0884","0.0971","","","","","","1.027","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213945","13.0926","0.0005","20.9762","0.0008","20.0992","0.0008","90","","94.123","0.001","90","","5505.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44 N8 O13 Zn2 -","- C60 H42 N8 O13 Zn2 -","- C240 H168 N32 O52 Zn8 -","4","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0839","0.051","","","0.1263","0.1448","","","","","","1.021","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213946","13.698","0.005","16.879","0.005","18.153","0.005","110.202","0.005","91.837","0.005","109.065","0.005","3673","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H66 Cd3 N12 O15 -","- C81 H60 Cd3 N12 O15 -","- C162 H120 Cd6 N24 O30 -","2","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71069","MoKα","","0.0542","0.0408","","","0.0942","0.1032","","","","","","1.025","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213947","20.201","0.014","9.992","0.007","21.796","0.015","90","","91.234","0.012","90","","4398","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H42 Co2 N6 O9 -","- C54 H42 Co2 N6 O9 -","- C216 H168 Co8 N24 O36 -","4","0.5","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0757","0.0472","","","0.1163","0.1359","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213948","20.3079","0.0015","10.1909","0.0008","21.8461","0.0016","90","","91.201","0.002","90","","4520.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Cu N3 O4 -","- C27 H20 Cu N3 O4 -","- C216 H160 Cu8 N24 O32 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0837","0.0532","","","0.1298","0.1494","","","","","","1","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213949","20.249","0.01","10.011","0.005","22.164","0.012","90","","91.228","0.012","90","","4492","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N3 Ni O4 -","- C27 H20 N3 Ni O4 -","- C216 H160 N24 Ni8 O32 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1267","0.0572","","","0.1034","0.1259","","","","","","1.002","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213950","27.381","0.006","11.289","0.002","18.02","0.004","90","","117.075","0.004","90","","4959.6","1.8","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C112 H94 Co4 N12 O27 -","- C112 H94 Co4 N12 O27 -","- C224 H188 Co8 N24 O54 -","2","0.5","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0893","0.0585","","","0.1293","0.1518","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213951","26.386","0.002","11.3957","0.001","17.5666","0.0019","90","","115.712","0.001","90","","4759.1","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cu N3 O5 -","- C28 H20 Cu N3 O5 -","- C224 H160 Cu8 N24 O40 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1123","0.0634","","","0.1649","0.1987","","","","","","0.999","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213952","32.498","0.008","12.812","0.003","18.172","0.005","90","","94.661","0.005","90","","7541","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H35 N5 Ni O7 -","- C39 H35 N5 Ni O7 -","- C312 H280 N40 Ni8 O56 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.135","0.085","","","0.2414","0.2864","","","","","","1.002","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213953","11.6916","0.0006","11.7881","0.0006","12.651","0.0006","82.071","0.001","83.113","0.001","82.638","0.001","1703.38","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H29 Co N5 O4 -","- C39 H29 Co N5 O4 -","- C78 H58 Co2 N10 O8 -","2","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0609","0.0487","","","0.1409","0.1518","","","","","","1.003","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213954","20.768","0.005","10.017","0.003","16.158","0.004","90","","121.098","0.004","90","","2878.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Mn N O6 -","- C14 H12 Mn N O6 -","- C112 H96 Mn8 N8 O48 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0598","0.0538","","","0.185","0.1914","","","","","","0.999","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213955","17.241","0.006","15.95","0.006","16.74","0.006","90","","108.386","0.007","90","","4368","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N3 Ni O7 -","- C22 H20 N3 Ni O7 -","- C176 H160 N24 Ni8 O56 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1541","0.0673","","","0.1448","0.1829","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213956","16.821","0.0012","19.1858","0.0014","20.6555","0.0015","90","","90","","90","","6666","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H33 Cu N5 O8 -","- C33 H33 Cu N5 O8 -","- C264 H264 Cu8 N40 O64 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1506","0.0658","","","0.1512","0.1747","","","","","","1.002","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213957","27.504","0.003","14.3017","0.0015","13.3049","0.0016","90","","102.667","0.002","90","","5106.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 Cd4 N12 O24 -","- C42 H28 Cd4 N12 O24 -","- C168 H112 Cd16 N48 O96 -","4","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0611","0.0547","","","0.1557","0.1647","","","","","","1.113","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213958","8.8692","0.0007","13.3176","0.0014","15.8973","0.0015","103.897","0.004","96.463","0.002","98.338","0.004","1782.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 N9 O13 Zn2 -","- C30 H35 N9 O13 Zn2 -","- C60 H70 N18 O26 Zn4 -","2","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0608","0.0467","","","0.1244","0.1317","","","","","","1.056","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213959","16.915","0.005","9.686","0.003","17.4","0.005","90","","106.905","0.004","90","","2727.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N7 O12 Zn2.5 -","- C24 H14 N7 O12 Zn2.5 -","- C96 H56 N28 O48 Zn10 -","4","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0876","0.0797","","","0.2083","0.2169","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213960","29.542","0.008","7.3171","0.0018","35.757","0.01","90","","98.761","0.005","90","","7639","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H44 N8 O16 Zn2 -","- C31 H32 N8 O16 Zn2 -","- C248 H256 N64 O128 Zn16 -","8","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0535","0.0479","","","0.1352","0.1411","","","","","","1.052","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213961","16.804","0.002","16.228","0.002","26.461","0.004","90","","103.17","0.002","90","","7026","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cd4 N16 O28 -","- C54.002 H56 Cd4 N16 O28 -","- C216.008 H224 Cd16 N64 O112 -","4","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0665","0.0523","","","0.1373","0.1523","","","","","","1.08","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213962","9.7346","0.0019","9.761","0.002","12.173","0.002","103.67","0.03","102.74","0.03","107.87","0.03","1014.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Ag N2 O4 -","- C24 H19 Ag N2 O4 -","- C48 H38 Ag2 N4 O8 -","2","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0413","0.0337","","","0.0688","0.0711","","","","","","1.114","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213963","11.812","0.002","9.6182","0.0019","19.06","0.004","90","","103.55","0.03","90","","2105.1","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Ag N2 O4 -","- C25 H21 Ag N2 O4 -","- C100 H84 Ag4 N8 O16 -","4","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0406","0.0327","","","0.0833","0.089","","","","","","1.017","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213964","15.72","0.003","16.12","0.003","13.476","0.003","90","","116.42","0.03","90","","3058.2","1.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cd N O4 -","- C18 H12 Cd N O4 -","- C144 H96 Cd8 N8 O32 -","8","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0259","0.0249","","","0.0622","0.0628","","","","","","1.192","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213965","16.616","0.003","15.383","0.003","14.774","0.003","90","","120.63","0.03","90","","3249.4","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H26 Cd2 N2 O8 -","- C37 H26 Cd2 N2 O8 -","- C148 H104 Cd8 N8 O32 -","4","0.5","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0344","0.0277","","","0.056","0.058","","","","","","1.135","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213966","18.884","0.004","16.206","0.003","10.375","0.002","90","","90","","90","","3175.1","1.1","298","2","298","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H12 N O4 Zn -","- C18 H12 N O4 Zn -","- C144 H96 N8 O32 Zn8 -","8","","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0754","0.0716","","","0.1798","0.184","","","","","","1.067","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213967","16.466","0.003","15.188","0.003","25.146","0.005","90","","90","","90","","6289","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H28 Co2 N2 O9 -","- C37 H28 Co2 N2 O9 -","- C296 H224 Co16 N16 O72 -","8","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0363","0.0308","","","0.0762","0.0799","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213968","14.07","0.003","22.001","0.004","20.966","0.004","90","","101.07","0.03","90","","6369","2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 Cd3 N8 O20 S3 -","- C48 H56 Cd3 N8 O20 S3 -","- C192 H224 Cd12 N32 O80 S12 -","4","1","","Li, Duan-Xiu; Ni, Chun-Yan; Chen, Min-Min; Dai, Ming; Zhang, Wen-Hua; Yan, Wen-Yan; Qi, Hai-Xiao; Ren, Zhi-Gang; Lang, Jian-Ping","Construction of Cd(ii) coordination polymers used as catalysts for the photodegradation of organic dyes in polluted water","CrystEngComm","2014","16","11","2158","","10.1039/c3ce42360c","","","0.71073","MoKα","","0.0558","0.0486","","","0.1161","0.1202","","","","","","1.108","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213969","15.6677","0.0005","15.6677","0.0005","15.6677","0.0005","90","","90","","90","","3846.1","0.2","153","2","153","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C18 H15 Cd N4 O6 -","- C18 H15 Cd N4 O6 -","- C144 H120 Cd8 N32 O48 -","8","0.166667","","Li, Duan-Xiu; Ni, Chun-Yan; Chen, Min-Min; Dai, Ming; Zhang, Wen-Hua; Yan, Wen-Yan; Qi, Hai-Xiao; Ren, Zhi-Gang; Lang, Jian-Ping","Construction of Cd(ii) coordination polymers used as catalysts for the photodegradation of organic dyes in polluted water","CrystEngComm","2014","16","11","2158","","10.1039/c3ce42360c","","","0.71073","MoKα","","0.0702","0.0586","","","0.1264","0.1321","","","","","","1.094","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213970","17.9901","0.0015","13.5567","0.0012","15.6762","0.0016","90","","91.684","0.009","90","","3821.6","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 Cd2 N4 O19 S2 -","- C26 H46 Cd2 N4 O19 S2 -","- C104 H184 Cd8 N16 O76 S8 -","4","1","","Li, Duan-Xiu; Ni, Chun-Yan; Chen, Min-Min; Dai, Ming; Zhang, Wen-Hua; Yan, Wen-Yan; Qi, Hai-Xiao; Ren, Zhi-Gang; Lang, Jian-Ping","Construction of Cd(ii) coordination polymers used as catalysts for the photodegradation of organic dyes in polluted water","CrystEngComm","2014","16","11","2158","","10.1039/c3ce42360c","","","0.71073","MoKα","","0.1405","0.0993","","","0.2354","0.261","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213971","25.3104","0.0009","13.9294","0.0005","19.6913","0.0007","90","","128.818","0.001","90","","5409.1","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cd N6 O8 -","- C24 H24 Cd N6 O8 -","- C192 H192 Cd8 N48 O64 -","8","1","","Li, Duan-Xiu; Ni, Chun-Yan; Chen, Min-Min; Dai, Ming; Zhang, Wen-Hua; Yan, Wen-Yan; Qi, Hai-Xiao; Ren, Zhi-Gang; Lang, Jian-Ping","Construction of Cd(ii) coordination polymers used as catalysts for the photodegradation of organic dyes in polluted water","CrystEngComm","2014","16","11","2158","","10.1039/c3ce42360c","","","0.71073","MoKα","","0.0406","0.032","","","0.0714","0.075","","","","","","1.059","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213972","11.4349","0.0006","15.545","0.0006","12.8179","0.0006","90","","113.755","0.006","90","","2085.41","0.19","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.71073","MoKα","","0.0797","0.0571","","","0.1517","0.1693","","","","","","1.054","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213973","11.262","0.006","14.9356","0.0012","12.497","0.004","90","","113.73","0.06","90","","1924.3","1.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1415","0.0989","","","0.2333","0.2625","","","","","","1.555","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213974","11.096","0.002","14.494","0.003","12.262","0.003","90","","113.85","0.03","90","","1803.6","0.8","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1037","0.0775","","","0.1535","0.1713","","","","","","1.536","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213975","11.053","0.002","14.338","0.003","12.136","0.002","90","","113.76","0.03","90","","1760.3","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1241","0.077","","","0.1592","0.1864","","","","","","1.49","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213976","10.991","0.006","14.1391","0.0008","12.033","0.004","90","","113.83","0.05","90","","1710.5","1.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0974","0.0758","","","0.1681","","","","","","","1.422","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213977","10.954","0.002","14.032","0.003","11.962","0.002","90","","113.77","0.03","90","","1682.7","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0753","0.0674","","","0.163","0.1687","","","","","","1.488","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213978","10.93","0.002","13.961","0.003","11.922","0.002","90","","113.76","0.03","90","","1665","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0797","0.0687","","","0.1658","0.173","","","","","","1.434","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213979","10.135","0.009","15.0384","0.0016","10.9","0.007","90","","107.52","0.09","90","","1584.2","1.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0794","0.0561","","","0.1083","0.1193","","","","","","1.411","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213980","10.118","0.018","15.012","0.003","10.877","0.011","90","","107.53","0.16","90","","1575","4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0724","0.0545","","","0.1129","0.1223","","","","","","1.456","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213981","10.117","0.018","15.004","0.003","10.869","0.011","90","","107.52","0.16","90","","1573","4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.071","0.0548","","","0.1277","0.1354","","","","","","1.53","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213982","10.052","0.002","14.932","0.003","10.789","0.002","90","","107.39","0.03","90","","1545.4","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.071","0.0504","","","0.1042","0.117","","","","","","1.261","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213983","9.985","0.002","14.855","0.003","10.722","0.002","90","","107.35","0.03","90","","1518","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1027","0.078","","","0.1827","0.208","","","","","","1.131","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213984","9.894","0.002","14.736","0.003","10.588","0.002","90","","107.21","0.03","90","","1474.6","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0557","0.0436","","","0.0962","0.1031","","","","","","1.29","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213985","20.5687","0.001","8.8331","0.0002","11.4381","0.0005","90","","122.177","0.006","90","","1758.95","0.17","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.71073","MoKα","","0.0577","0.041","","","0.1143","0.1293","","","","","","0.963","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213986","19.69","0.06","8.8311","0.0018","11.46","0.003","90","","116.72","0.05","90","","1780","6","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1296","0.0895","","","0.216","0.2454","","","","","","1.096","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213987","19.672","0.029","8.6717","0.0008","11.0787","0.0009","90","","120.594","0.013","90","","1627","2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0963","0.0766","","","0.1825","0.1996","","","","","","1.104","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213988","19.3247","0.0061","8.6243","0.0006","10.9544","0.0007","90","","120.113","0.014","90","","1579.3","0.6","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0883","0.0728","","","0.1772","0.1906","","","","","","1.043","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213989","18.4265","0.0046","8.4721","0.0006","10.633","0.0007","90","","118.512","0.015","90","","1458.6","0.4","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0832","0.0713","","","0.1441","0.1505","","","","","","1.053","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213990","18.0508","0.0011","8.3848","0.0008","10.551","0.023","90","","118.132","0.023","90","","1408","3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1193","0.0982","","","0.2321","0.2507","","","","","","1.089","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213991","17.874","0.008","8.336","0.0007","10.524","0.013","90","","117.9","0.2","90","","1386","3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1031","0.0934","","","0.1927","0.1994","","","","","","1.081","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213992","10.506","0.002","16.364","0.003","15.514","0.003","90","","98.95","0.03","90","","2634.7","0.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0922","0.0712","","","0.1779","0.2025","","","","","","1.055","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213993","10.4886","0.001","16.3135","0.0016","15.5602","0.0096","90","","99.0816","0.0016","90","","2629.1","1.7","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.085","0.0689","","","0.1714","0.1851","","","","","","1.051","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213994","10.4663","0.0008","16.259","0.0012","15.427","0.0072","90","","99.409","0.012","90","","2589.9","1.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0718","0.0615","","","0.165","0.1752","","","","","","1.068","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213995","10.4211","0.0007","16.1206","0.0012","15.169","0.0068","90","","99.83","0.011","90","","2510.9","1.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0795","0.0613","","","0.1546","0.1699","","","","","","1.065","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213996","10.377","0.002","16.06","0.003","15.031","0.003","90","","100.45","0.03","90","","2463.4","0.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1158","0.0824","","","0.1875","0.2172","","","","","","1.437","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213997","10.3834","0.0005","16.0279","0.0008","15.0219","0.0045","90","","100.443","0.007","90","","2458.6","0.8","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0718","0.0525","","","0.1281","0.1458","","","","","","1.017","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213998","48.2903","0.0015","13.6014","0.0003","22.1554","0.0005","90","","100.647","0.003","90","","14301.5","0.6","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C20 H145 Cu N20 Na2 O148 P4 Tb W34 -","- C12 H52 Cu N12 Na2 O136 P4 Tb W34 -","- C48 H208 Cu4 N48 Na8 O544 P16 Tb4 W136 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers","CrystEngComm","2014","16","11","2230","","10.1039/c3ce42029a","","","0.71073","MoKα","","0.0581","0.047","","","0.119","0.1234","","","","","","1.043","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213999","48.3988","0.0017","13.6295","0.0004","22.1644","0.0006","90","","100.66","0.003","90","","14368.5","0.8","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C20 H149 Cu Eu N20 Na2 O150 P4 W34 -","- C12 H56 Cu Eu N12 Na2 O144 P4 W34 -","- C48 H224 Cu4 Eu4 N48 Na8 O576 P16 W136 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers","CrystEngComm","2014","16","11","2230","","10.1039/c3ce42029a","","","0.71073","MoKα","","0.0545","0.0367","","","0.0795","0.0848","","","","","","1.075","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7214000","48.4356","0.0012","13.5979","0.0003","22.1157","0.0005","90","","100.54","0.002","90","","14320.1","0.6","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C24 H157 Cu N24 Na2 O146 P4 Sm W34 -","- C12 H56 Cu N12 Na2 O146 P4 Sm W34 -","- C48 H224 Cu4 N48 Na8 O584 P16 Sm4 W136 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers","CrystEngComm","2014","16","11","2230","","10.1039/c3ce42029a","","","0.71073","MoKα","","0.0601","0.0424","","","0.1034","0.1127","","","","","","1.056","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214001","48.5506","0.0011","13.6364","0.0005","22.1072","0.0005","90","","100.436","0.002","90","","14394.1","0.7","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C18 H127 Ce Cu N18 Na2 O143 P4 W34 -","- C12 H52 Ce Cu N12 Na2 O142 P4 W34 -","- C48 H208 Ce4 Cu4 N48 Na8 O568 P16 W136 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers","CrystEngComm","2014","16","11","2230","","10.1039/c3ce42029a","","","0.71073","MoKα","","0.0934","0.0746","","","0.182","0.1974","","","","","","1.012","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214002","9.1367","0.0002","9.1367","0.0002","25.9692","0.001","90","","90","","120","","1877.45","0.09","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C0 H2 In N0 O6 P2 -","- H2 In O6 P2 -","- H18 In9 O54 P18 -","9","0.5","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.0176","0.0159","","","0.0385","0.0388","","","","","","1.006","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214003","5.4121","0.001","10.234","0.0018","10.5108","0.0019","113.234","0.002","95.522","0.003","92.534","0.002","530.32","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H14 F In N2 O6 P2 -","- C3 H14 F In N2 O6 P2 -","- C6 H28 F2 In2 N4 O12 P4 -","2","1","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.0285","0.0247","","","0.0562","0.0592","","","","","","1.087","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214004","8.2519","0.0003","8.2519","0.0003","7.6934","0.0004","90","","90","","120","","453.69","0.03","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- H3 In2 O9 P3 -","- H3 In2 O9 P3 -","- H6 In4 O18 P6 -","2","0.166667","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.018","0.0175","","","0.0433","0.0437","","","","","","1.233","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214005","13.8148","0.0018","13.8148","0.0018","18.612","0.005","90","","90","","120","","3076.2","1","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C0 H7 In4 N0 O24 P7 -","- H7 In4 O24 P7 -","- H28 In16 O96 P28 -","4","0.333333","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.0555","0.0434","","","0.1198","0.1247","","","","","","1.082","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214006","6.8098","0.0014","31.143","0.006","13.07","0.004","90","","120.24","0.02","90","","2394.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 La2 N O19 -","- C18 H18 La2 N O19 -","- C72 H72 La8 N4 O76 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.1349","0.1078","","","0.2664","0.2906","","","","","","1.082","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214007","6.7147","0.0013","30.942","0.006","12.909","0.004","90","","120.14","0.02","90","","2319.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N O19 Pr2 -","- C18 H18 N O19 Pr2 -","- C72 H72 N4 O76 Pr8 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0465","0.0405","","","0.0909","0.0942","","","","","","1.105","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214008","6.7129","0.0013","30.855","0.006","12.888","0.004","90","","120.73","0.02","90","","2294.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N O19 Sm2 -","- C18 H18 N O19 Sm2 -","- C72 H72 N4 O76 Sm8 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0637","0.0588","","","0.1381","0.1404","","","","","","1.183","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214009","6.674","0.0013","30.729","0.006","12.805","0.004","90","0.03","120.67","0.02","90","0.03","2258.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Eu2 N O19 -","- C18 H18 Eu2 N O19 -","- C72 H72 Eu8 N4 O76 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0309","0.028","","","0.0659","0.0672","","","","","","1.121","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214010","6.675","0.0013","30.726","0.006","12.841","0.004","90","","120.81","0.02","90","","2262","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Gd2 N O19 -","- C18 H18 Gd2 N O19 -","- C72 H72 Gd8 N4 O76 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0648","0.0605","","","0.1432","0.145","","","","","","1.179","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214011","6.666","0.0013","30.662","0.006","12.798","0.004","90","","120.79","0.02","90","","2247.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N O19 Tb2 -","- C18 H18 N O19 Tb2 -","- C72 H72 N4 O76 Tb8 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0825","0.0565","","","0.1149","0.1277","","","","","","1.105","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214012","6.661","0.0013","30.58","0.006","12.763","0.003","90","","121","0.02","90","","2228.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Dy2 N O19 -","- C18 H18 Dy2 N O19 -","- C72 H72 Dy8 N4 O76 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0668","0.0522","","","0.13","0.1408","","","","","","1.1","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214013","18.615","0.002","6.0317","0.0007","29.072","0.004","90","","105.908","0.002","90","","3139.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl N O2 -","- C18 H16 Cl N O2 -","- C144 H128 Cl8 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0796","0.0482","","","0.1049","0.1165","","","","","","1.017","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214014","10.5204","0.0007","8.7184","0.0006","33.531","0.002","90","","90","","90","","3075.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl N O2 -","- C18 H16 Cl N O2 -","- C144 H128 Cl8 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0656","0.0509","","","0.1385","0.1495","","","","","","1.018","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214015","4.637","0.0018","11.658","0.004","15.392","0.005","67.925","0.012","82.161","0.015","85.996","0.018","763.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C36 H32 Br2 N2 O4 -","2","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0757","0.0645","","","0.1611","0.1759","","","","","","1.12","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214016","10.6279","0.0009","8.7139","0.0007","33.989","0.003","90","","90","","90","","3147.7","0.5","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C144 H128 Br8 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0913","0.0524","","","0.112","0.1274","","","","","","1.052","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214017","18.404","0.005","6.025","0.0015","28.832","0.008","90","","104.628","0.003","90","","3093.4","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C152 H152 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.1177","0.0537","","","0.1202","0.1497","","","","","","0.944","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214018","15.604","0.004","6.263","0.0014","15.601","0.004","90","","90.68","0.003","90","","1524.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0526","0.0433","","","0.1152","0.1234","","","","","","1.058","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214019","4.9227","0.0002","13.9837","0.0003","15.7876","0.0003","90","","90","","90","","1086.78","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 Li2 O10 -","- C8 H10 Li2 O10 -","- C32 H40 Li8 O40 -","4","1","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0329","0.0308","","","0.0881","0.0895","","","","","","1.075","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214020","21.6635","0.0016","8.1817","0.0004","8.1299","0.0006","90","","98.514","0.004","90","","1425.1","0.16","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Li4 O13 -","- C8 H16 Li4 O13 -","- C32 H64 Li16 O52 -","4","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0391","0.0327","","","0.0919","0.095","","","","","","1.079","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214021","5.3722","0.0002","13.4257","0.0011","12.451","0.001","90","","91.272","0.005","90","","897.81","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 Na O8 -","- C8 H7 Na O8 -","- C32 H28 Na4 O32 -","4","1","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0517","0.0369","","","0.0976","0.1032","","","","","","1.039","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214022","8.4001","0.0007","13.7383","0.0011","6.4302","0.0004","90","","104.284","0.005","90","","719.12","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 K2 O12 -","- C8 H14 K2 O12 -","- C16 H28 K4 O24 -","2","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0355","0.0283","","","0.07","0.0725","","","","","","1.065","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214023","8.6068","0.0002","5.5968","0.0002","10.716","0.0003","90","","92.205","0.002","90","","515.81","0.03","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C8 H7 K O8 -","- C8 H7 K O8 -","- C16 H14 K2 O16 -","2","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0351","0.0329","","","0.0915","0.0923","","","","","","1.077","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214024","8.1309","0.0004","9.662","0.0005","12.7399","0.0005","90","","90","","90","","1000.86","0.08","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H7 O8 Rb -","- C8 H7 O8 Rb -","- C32 H28 O32 Rb4 -","4","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0277","0.0232","","","0.0654","0.0673","","","","","","1.072","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214025","9.8276","0.0003","9.8276","0.0003","10.2207","0.0005","90","","90","","90","","987.13","0.06","150","2","150","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C8 H7 Cs O8 -","- C8 H4 Cs O8 -","- C32 H16 Cs4 O32 -","4","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0261","0.0231","","","0.0605","0.0613","","","","","","1.155","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214026","6.2442","0.0005","13.1523","0.0012","8.5929","0.0005","90","","96.82","0.006","90","","700.7","0.09","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C2 H5 N3 O3 P S -","- C2 H5 N3 O3 P S -","- C8 H20 N12 O12 P4 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.5418","CuKα","","0.0834","0.0769","","0.0679","0.0662","0.0662","","","","","","1.1054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214027","5.2","0.00007","10.2243","0.00015","13.06242","0.00017","90","","90","","90","","694.481","0.017","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-amino-1,3,4-thiadiazolium(1+) hydrogen sulphate","","","- C2 H5 N3 O4 S2 -","- C2 H5 N3 O4 S2 -","- C8 H20 N12 O16 S8 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0202","0.0202","","","0.0503","0.0503","","","","","","0.879","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214028","4.4119","0.0001","21.9024","0.0005","7.519","0.0002","90","","94.531","0.002","90","","724.3","0.03","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","2-amino-1,3,4-thiadiazolium(1+) dihydrogen phosphate","","","- C2 H6 N3 O4 P S -","- C2 H6 N3 O4 P S -","- C8 H24 N12 O16 P4 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0297","0.0296","","","0.0839","0.084","","","","","","1.082","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214029","6.6897","0.0002","8.3773","0.0002","10.9734","0.0003","90","","103.301","0.003","90","","598.47","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-amino-1,3,4-thiadiazolium(1+) nitrate","","","- C2 H4 N4 O3 S -","- C2 H4 N4 O3 S -","- C8 H16 N16 O12 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0435","0.0402","","","0.1077","0.1125","","","","","","1.099","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214030","5.5377","0.0001","13.9715","0.0002","7.6737","0.0001","90","","93.472","0.001","90","","592.624","0.016","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","Bis(2-amino-1,3,4-thiadiazolium(1+) selenate monohydrate","","","- C4 H8 N6 O5 S2 Se -","- C4 H8 N6 O5 S2 Se -","- C8 H16 N12 O10 S4 Se2 -","2","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.035","0.035","","","0.0873","0.0873","","","","","","1.129","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214031","4.9574","0.0001","8.7771","0.0002","14.2055","0.0003","90","","97.481","0.002","90","","612.84","0.02","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-amino-1,3,4-thiadiazolium(1+) chloride monohydrate","","","- C2 H6 Cl N3 O S -","- C2 H6 Cl N3 O S -","- C8 H24 Cl4 N12 O4 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0652","0.0642","","","0.1793","0.181","","","","","","1.127","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214032","4.9817","0.0001","20.0865","0.0003","11.0569","0.0002","90","","90.643","0.002","90","","1106.34","0.03","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-amino-1,3,4-tihiadiazole 2-amino-1,3,4-thiadiazolium(1+) perchlorate","","","- C4 H7 Cl N6 O4 S2 -","- C4 H7 Cl N6 O4 S2 -","- C16 H28 Cl4 N24 O16 S8 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0301","0.0292","","","0.0784","0.0793","","","","","","1.038","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214033","5.0168","0.0003","18.6658","0.0011","7.4367","0.0005","90","","102.148","0.002","90","","680.8","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-amino-1,3,5-thiadiazolium(1+) perchlorate","","","- C3 H Cl N3 O4 S -","- C2 H4 Cl N3 O4 S -","- C8 H16 Cl4 N12 O16 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","0.71073","MoKα","","0.0235","0.0223","","","0.0646","0.0662","","","","","","0.597","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214034","46.552","0.013","15.749","0.004","22.925","0.006","90","","90","","90","","16807","8","223","2","223","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C30 H66 Cl K La Mo12 N20 O78 P -","- C30 H30 Cl K La Mo12 N20 O68 P -","- C240 H240 Cl8 K8 La8 Mo96 N160 O544 P8 -","8","2","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0602","0.049","","","0.114","0.1203","","","","","","1.037","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214035","46.525","0.007","15.707","0.002","22.889","0.003","90","","90","","90","","16727","4","223","2","223","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C30 H66 Ce Cl K Mo12 N20 O78 P -","- C30 H30 Ce Cl K Mo12 N20 O68 P -","- C240 H240 Ce8 Cl8 K8 Mo96 N160 O544 P8 -","8","2","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0582","0.0476","","","0.107","0.113","","","","","","1.036","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214036","46.551","0.005","15.6964","0.0017","22.913","0.003","90","","90","","90","","16742","3","223","2","223","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C30 H69 Cl Mo12 N20 O79 P Pr -","- C30 H30 Cl Mo12 N20 O65 P Pr -","- C240 H240 Cl8 Mo96 N160 O520 P8 Pr8 -","8","2","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0835","0.0564","","","0.1245","0.1357","","","","","","1.015","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214037","22.648","0.004","15.759","0.003","23.177","0.004","90","","90","","90","","8272","3","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H62 Cl K Mo12 N20 Nd O76 P -","- C30 H30 Cl K Mo12 N20 Nd O64 P -","- C120 H120 Cl4 K4 Mo48 N80 Nd4 O256 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.1094","0.0831","","","0.2169","0.2369","","","","","","1.091","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214038","22.655","0.013","15.874","0.009","23.21","0.013","90","","90","","90","","8347","8","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H58 Cl K Mo12 N20 O74 P Sm -","- C30 H30 Cl K Mo12 N20 O65 P Sm -","- C120 H120 Cl4 K4 Mo48 N80 O260 P4 Sm4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0913","0.0648","","","0.1748","0.1914","","","","","","1.118","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214039","22.524","0.004","15.876","0.003","23.193","0.004","90","","90","","90","","8294","3","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H58 Cl Eu K Mo12 N20 O74 P -","- C30 H30 Cl Eu K Mo12 N20 O65 P -","- C120 H120 Cl4 Eu4 K4 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0932","0.0628","","","0.1618","0.1773","","","","","","1.086","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214040","22.485","0.003","15.879","0.002","23.163","0.003","90","","90","","90","","8270.1","1.9","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H58 Cl Gd K Mo12 N20 O74 P -","- C30 H30 Cl Gd K Mo12 N20 O65 P -","- C120 H120 Cl4 Gd4 K4 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0834","0.0587","","","0.1553","0.1691","","","","","","1.109","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214041","16.5175","0.0013","14.4895","0.0012","33.998","0.003","90","","99.206","0.002","90","","8031.9","1.2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H60 K2 Mo12 N21 O77 P -","- C30 H30 K2 Mo12 N21 O67 P -","- C120 H120 K8 Mo48 N84 O268 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.095","0.0657","","","0.1736","0.195","","","","","","1.056","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214042","16.4852","0.0011","14.4496","0.0009","33.998","0.002","90","","99.185","0.002","90","","7994.6","0.9","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H62 K2 Mo12 N21 O78 P -","- C30 H30 K2 Mo12 N21 O68 P -","- C120 H120 K8 Mo48 N84 O272 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0719","0.0608","","","0.1457","0.1516","","","","","","1.051","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214043","16.488","0.0007","14.4729","0.0006","33.9442","0.0013","90","","99.196","0.002","90","","7996","0.6","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H62 K2 Mo12 N21 O78 P -","- C30 H30 K2 Mo12 N21 O69 P -","- C120 H120 K8 Mo48 N84 O276 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0756","0.0557","","","0.1388","0.1497","","","","","","1.065","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214044","16.536","0.002","14.4599","0.0018","33.916","0.004","90","","99.14","0.004","90","","8006.7","1.7","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H62 K2 Mo12 N21 O78 P -","- C30 H30 K2 Mo12 N21 O67 P -","- C120 H120 K8 Mo48 N84 O268 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0749","0.0531","","","0.1381","0.152","","","","","","1.093","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214045","16.5232","0.0015","14.4587","0.0012","33.985","0.003","90","","99.026","0.003","90","","8018.6","1.2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 K2 Mo12 N20 O76 P -","- C30 H30 K2 Mo12 N20 O65 P -","- C120 H120 K8 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.1025","0.0688","","","0.193","0.2092","","","","","","1.077","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214046","16.622","0.002","14.5029","0.0019","33.98","0.005","90","","98.924","0.004","90","","8092.3","1.9","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H61 K2 Mo12 N20 O75 P -","- C30 H30 K2 Mo12 N20 O65 P -","- C120 H120 K8 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0561","0.0489","","","0.1439","0.1482","","","","","","1.094","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214047","16.543","0.002","14.4575","0.0018","33.922","0.004","90","","99.052","0.004","90","","8012.1","1.7","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H61 K2 Mo12 N20 O75 P -","- C30 H30 K2 Mo12 N20 O67 P -","- C120 H120 K8 Mo48 N80 O268 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0842","0.0649","","","0.1967","0.219","","","","","","1.077","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214048","14.812","0.006","13.727","0.005","14.452","0.005","90","","112.457","0.006","90","","2715.6","1.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Co F6 N2 O4 -","- C29 H20 Co F6 N2 O4 -","- C116 H80 Co4 F24 N8 O16 -","4","1","","Han, Li-Wei; Lü, Jian; Lin, Zu-Jin; Cao, Rong","Cobalt-cluster-based coordination polymers with size-matching mixed ligands","CrystEngComm","2014","16","9","1749","","10.1039/c3ce42110d","","","0.71073","MoKα","","0.0604","0.0481","","","0.0897","0.0958","","","","","","1.112","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214049","13.336","0.006","24.714","0.01","14.403","0.006","90","","112.42","0.007","90","","4388","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H58 Co3 F24 N4 O16 -","- C92 H58 Co3 F24 N4 O16 -","- C184 H116 Co6 F48 N8 O32 -","2","0.5","","Han, Li-Wei; Lü, Jian; Lin, Zu-Jin; Cao, Rong","Cobalt-cluster-based coordination polymers with size-matching mixed ligands","CrystEngComm","2014","16","9","1749","","10.1039/c3ce42110d","","","0.71073","MoKα","","0.0834","0.0644","","","0.1602","0.1745","","","","","","1.069","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214050","15.792","0.005","15.821","0.005","18.031","0.006","100.763","0.004","100.701","0.002","100.779","0.003","4233","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H94 Co5 F24 N8 O22 -","- C92 H56 Co5 F24 N4 O18 -","- C92 H56 Co5 F24 N4 O18 -","1","0.5","","Han, Li-Wei; Lü, Jian; Lin, Zu-Jin; Cao, Rong","Cobalt-cluster-based coordination polymers with size-matching mixed ligands","CrystEngComm","2014","16","9","1749","","10.1039/c3ce42110d","","","0.71073","MoKα","","0.0902","0.0702","","","0.1948","0.2067","","","","","","0.93","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214051","9.5231","0.001","10.2095","0.0011","11.7475","0.0013","105.625","0.001","91.665","0.001","106.879","0.001","1045.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 N6 O6 Zn -","- C17 H22 N6 O6 Zn -","- C34 H44 N12 O12 Zn2 -","2","1","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0369","0.0302","","","0.0734","0.077","","","","","","1.062","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214052","16.879","0.004","8.2185","0.0018","22.862","0.005","90","","92.936","0.002","90","","3167.3","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N9 O8 Zn2 -","- C30 H30 N9 O8 Zn2 -","- C120 H120 N36 O32 Zn8 -","4","1","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0327","0.0254","","","0.0615","0.0648","","","","","","1.03","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214053","9.2209","0.0011","10.2628","0.0012","12.7492","0.0015","111.664","0.001","93.59","0.001","112.631","0.001","1005","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N6 O6 Zn -","- C16 H18 N6 O6 Zn -","- C32 H36 N12 O12 Zn2 -","2","1","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0526","0.0454","","","0.1462","0.1526","","","","","","1.113","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214054","17.257","0.004","10.829","0.003","17.134","0.004","90","","101.765","0.003","90","","3134.7","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H30 N6 O14 Zn2 -","- C25 H30 N6 O14 Zn2 -","- C100 H120 N24 O56 Zn8 -","4","0.5","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0507","0.036","","","0.0858","0.0946","","","","","","1.041","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214055","18.004","0.005","9.661","0.003","19.023","0.005","90","","112.238","0.003","90","","3062.7","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H30 N6 O14 Zn2 -","- C25 H30 N6 O14 Zn2 -","- C100 H120 N24 O56 Zn8 -","4","0.5","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0407","0.0305","","","0.0714","0.0774","","","","","","0.95","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214056","20.682","0.003","10.4091","0.0013","19.858","0.003","90","","118.104","0.003","90","","3771","0.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Cd N7 O8 -","- C14 H15 Cd N7 O8 -","- C112 H120 Cd8 N56 O64 -","8","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0581","0.0411","","","0.0855","0.0936","","","","","","1.021","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214057","21.049","0.004","10.4209","0.0017","20.232","0.004","90","","120.052","0.004","90","","3841.3","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Cd I N6 O6 -","- C14 H15 Cd I N6 O6 -","- C112 H120 Cd8 I8 N48 O48 -","8","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0847","0.0538","","","0.1443","0.1615","","","","","","1.066","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214058","7.6185","0.0004","9.5814","0.0014","10.5272","0.0016","85.45","0.02","69.833","0.014","70.509","0.013","679.44","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Cd N3 O7 -","- C11 H12 Cd N3 O7 -","- C22 H24 Cd2 N6 O14 -","2","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.7107","MoKα","","0.0277","0.0247","","","0.0645","0.0665","","","","","","1.019","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214059","13.2282","0.0016","14.3543","0.0016","16.899","0.002","90","","100.845","0.003","90","","3151.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cd N12 O13 S -","- C20 H31 Cd N12 O13 S -","- C80 H124 Cd4 N48 O52 S4 -","4","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.7107","MoKα","","0.0468","0.0395","","","0.0935","0.0976","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214060","9.5996","0.001","9.7638","0.0014","9.866","0.0017","88.15","0.017","77.431","0.015","64.293","0.01","811.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 Cd N3 O7 -","- C11 H10 Cd N3 O7 -","- C22 H20 Cd2 N6 O14 -","2","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.7107","MoKα","","0.0398","0.0372","","","0.1127","0.1151","","","","","","1.083","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214061","11.014","0.002","10.8512","0.0018","17.237","0.004","90","","106.171","0.005","90","","1978.6","0.7","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H44 Cd2 N12 O21 -","- C22 H36 Cd2 N12 O21 -","- C44 H72 Cd4 N24 O42 -","2","0.5","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0663","0.0511","","","0.1328","0.1434","","","","","","1.053","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214062","19.6725","0.0014","10.3235","0.0007","10.5318","0.0007","90","","90","","90","","2138.9","0.3","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H16 Cd N6 O6 -","- C20 H16 Cd N6 O6 -","- C80 H64 Cd4 N24 O24 -","4","0.5","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0422","0.0358","","","0.0925","0.0969","","","","","","1.084","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214063","8.0884","0.0014","9.9983","0.0019","10.646","0.002","113.859","0.003","95.105","0.002","91.085","0.002","782.8","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 Cd N4 O9 -","- C11 H13 Cd N4 O9 -","- C22 H26 Cd2 N8 O18 -","2","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0241","0.0208","","","0.0435","0.044","","","","","","0.995","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214064","8.891","0.003","9.658","0.003","13.359","0.004","100.128","0.004","90.511","0.003","116.456","0.004","1006","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cd3 N12 O18 S2 -","- C28 H30 Cd3 N12 O18 S2 -","- C28 H30 Cd3 N12 O18 S2 -","1","0.5","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.7107","MoKα","","0.035","0.029","","","0.0672","0.0759","","","","","","1.031","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214065","4.3006","0.0012","12.286","0.004","21.406","0.006","90","","90","","90","","1131","0.6","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 F3 N O2 S -","- C10 H10 F3 N O2 S -","- C40 H40 F12 N4 O8 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0422","0.0371","","","0.0862","0.0892","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214066","9.359","0.003","19.512","0.006","18.547","0.006","90","","90","","90","","3386.9","1.9","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H17 F3 N2 S -","- C17 H17 F3 N2 S -","- C136 H136 F24 N16 S8 -","8","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.074","0.0531","","","0.1321","0.1462","","","","","","1.033","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214067","6.9316","0.0002","15.6631","0.0005","10.342","0.0003","90","","100.871","0.0018","90","","1102.68","0.06","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C52 H40 N8 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0509","0.0389","","","0.0995","0.1068","","","","","","1.052","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214068","6.2054","0.0002","11.0782","0.0004","15.7022","0.0004","79.262","0.0018","81.6799","0.0018","81.0105","0.001","1040.06","0.06","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C48 H36 N12 S4 -","4","2","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0439","0.0382","","","0.0991","0.1047","","","","","","1.041","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214069","4.8958","0.0002","13.2251","0.0006","15.7846","0.0008","90","","90","","90","","1022.01","0.08","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C48 H36 N12 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0547","0.0451","","","0.1031","0.1102","","","","","","1.095","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214070","15.6603","0.0003","7.402","0.0001","18.6797","0.0003","90","","106.78","0.0009","90","","2073.11","0.06","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C96 H72 N24 S8 -","8","2","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0489","0.0376","","","0.0946","0.1023","","","","","","1.026","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214071","9.6844","0.0006","10.0511","0.0006","21.3621","0.0014","90","","90","","90","","2079.4","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H8 N2 S2 -","- C11 H8 N2 S2 -","- C88 H64 N16 S16 -","8","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0438","0.042","","","0.1137","0.115","","","","","","1.128","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214072","7.4294","0.0003","12.5543","0.0006","12.7463","0.0005","90","","92.878","0.003","90","","1187.36","0.09","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O2 S -","- C13 H9 N3 O2 S -","- C52 H36 N12 O8 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0937","0.0611","","","0.1316","0.151","","","","","","1.102","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214073","13.173","0.003","7.018","0.0014","14.651","0.003","90","","108.59","0.03","90","","1283.8","0.5","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 N4 O4 S -","- C13 H8 N4 O4 S -","- C52 H32 N16 O16 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0446","0.0346","","","0.1027","0.1125","","","","","","1.023","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214074","24.399","0.005","5.254","0.0011","9.3849","0.0019","90","","95.68","0.03","90","","1197.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O S -","- C14 H12 N2 O S -","- C56 H48 N8 O4 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0941","0.0557","","","0.1344","0.1544","","","","","","0.984","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214075","14.857","0.002","13.0971","0.0019","26.97","0.004","90","","90.959","0.004","90","","5247.2","1.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 F3 N2 S -","- C14 H9 F3 N2 S -","- C224 H144 F48 N32 S16 -","16","4","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.1131","0.1056","","","0.3009","0.3112","","","","","","1.098","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214076","6.3326","0.0003","13.4313","0.0008","14.9364","0.0008","72.429","0.002","79.14","0.002","89.112","0.002","1188.29","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 F2 N5 O2 S -","- C26 H23 F2 N5 O2 S -","- C52 H46 F4 N10 O4 S2 -","2","1","","Shukla, Rahul; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Experimental and theoretical analysis of lp⋯π intermolecular interactions in derivatives of 1,2,4-triazoles","CrystEngComm","2014","16","9","1702","","10.1039/c3ce42286k","","","0.71073","MoKα","","0.0748","0.0636","","","0.1325","0.1383","","","","","","1.149","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214077","6.203","0.0005","13.8341","0.0012","15.109","0.0014","71.303","0.004","80.718","0.004","88.344","0.004","1211.68","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 Cl F N5 O2 S -","- C26 H23 Cl F N5 O2 S -","- C52 H46 Cl2 F2 N10 O4 S2 -","2","1","","Shukla, Rahul; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Experimental and theoretical analysis of lp⋯π intermolecular interactions in derivatives of 1,2,4-triazoles","CrystEngComm","2014","16","9","1702","","10.1039/c3ce42286k","","","0.71073","MoKα","","0.0369","0.0347","","","0.0936","0.0958","","","","","","1.048","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214078","6.5674","0.0008","13.5041","0.0017","16.236","0.002","71.902","0.006","86.12","0.006","89.592","0.006","1365.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29.5 H27 Cl F N5 O2 S -","- C29.5 H27 Cl F N5 O2 S -","- C59 H54 Cl2 F2 N10 O4 S2 -","2","1","","Shukla, Rahul; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Experimental and theoretical analysis of lp⋯π intermolecular interactions in derivatives of 1,2,4-triazoles","CrystEngComm","2014","16","9","1702","","10.1039/c3ce42286k","","","0.71073","MoKα","","0.0462","0.0427","","","0.1108","0.1135","","","","","","1.046","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7214079","13.2318","0.0004","24.2575","0.0008","14.1063","0.0005","90","","112.851","0.004","90","","4172.4","0.3","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NH4[Gd(cdm)4(H2O)4].18c6.3H2O","","","- C28 H50 Gd N13 O17 -","- C28 H50 Gd N13 O17 -","- C112 H200 Gd4 N52 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.7107","MoKα","","0.0386","0.0277","","","0.0563","0.0602","","","","","","1.088","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214080","13.2276","0.0005","24.22","0.0008","14.1006","0.0005","90","","112.907","0.004","90","","4161.2","0.3","123.1","0.4","123.1","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NH4[Dy(cdm)4(H2O)4].18c6.3H2O","","","- C28 H50 Dy N13 O17 -","- C28 H50 Dy N13 O17 -","- C112 H200 Dy4 N52 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.7107","MoKα","","0.0514","0.0373","","","0.0727","0.0799","","","","","","1.109","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214081","13.2104","0.0006","24.2021","0.0012","14.089","0.0007","90","","112.9","0.001","90","","4149.5","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NH4[Er(cdm)4(H2O)4].18c6.3H2O","","","- C28 H50 Er N13 O17 -","- C28 H50 Er N13 O17 -","- C112 H200 Er4 N52 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.71073","MoKα","","0.0402","0.0304","","","0.0615","0.0653","","","","","","1.001","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214082","13.3165","0.0004","24.168","0.0006","14.0333","0.0004","90","","112.917","0.004","90","","4159.9","0.2","123.1","0.4","123.1","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Gd(cdm)4(H2O)4][K(18c6)(H2O)2].H2O","","","- C28 H46 Gd K N12 O17 -","- C28 H46 Gd K N12 O17 -","- C112 H184 Gd4 K4 N48 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.7107","MoKα","","0.0398","0.0292","","","0.0593","0.0644","","","","","","1.044","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214083","13.2831","0.0006","24.0971","0.0012","13.996","0.0006","90","","112.895","0.001","90","","4127","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Dy(cdm)4(H2O)4][K(18c6)(H2O)2].H2O","","","- C28 H46 Dy K N12 O17 -","- C28 H46 Dy K N12 O17 -","- C112 H184 Dy4 K4 N48 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.71073","MoKα","","0.0309","0.0257","","","0.0547","0.057","","","","","","1.04","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214084","13.2705","0.0008","24.0464","0.0014","13.9735","0.0008","90","","112.89","0.002","90","","4107.9","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Er(cdm)4(H2O)4][K(18c6)(H2O)2].H2O","","","- C28 H46 Er K N12 O17 -","- C28 H46 Er K N12 O17 -","- C112 H184 Er4 K4 N48 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.71073","MoKα","","0.0317","0.0267","","","0.057","0.059","","","","","","1.028","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214085","13.2276","0.0005","24.22","0.0008","14.1006","0.0005","90","","112.907","0.004","90","","4161.2","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NH4[Dy(cdm)4(H2O)4].18c6.3H2O","","","- C28 H50 Dy N13 O17 -","- C28 H50 Dy N13 O17 -","- C112 H200 Dy4 N52 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","neutron","","neutron","","0.106","0.075","","","0.2014","0.215","","","","","","1.675","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214086","13.2831","0.0006","24.0971","0.0012","13.996","0.0006","90","","112.895","0.001","90","","4127","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[K(18c6)(H2O)2][Dy(cdm)4(H2O)4].H2O","","","- C28 H46 Dy K N12 O17 -","- C28 H46 Dy K N12 O17 -","- C112 H184 Dy4 K4 N48 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","neutron","","neutron","","0.127","0.0929","","","0.2469","0.2604","","","","","","2.002","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214087","21.54","0.02","25.71","0.015","31.95","0.01","90.92","0.04","88.87","0.02","74.53","0.02","17045","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C336 H508 N4 O28 -","- C336 H508 N4 O28 -","- C672 H1016 N8 O56 -","2","1","","Brancatelli, Giovanna; Pappalardo, Sebastiano; Gattuso, Giuseppe; Notti, Anna; Pisagatti, Ilenia; Parisi, Melchiorre F.; Geremia, Silvano","Hydrogen bond-assisted solid-state formation of a salt-bridged calix[5]arene pseudo-dimer","CrystEngComm","2014","16","1","89","","10.1039/c3ce41667d","","","0.77491","","","0.1352","0.1276","","","0.3302","0.3342","","","","","","1.047","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214088","12.4824","0.0012","7.3041","0.0007","15.4872","0.0016","90","","97.536","0.003","90","","1399.8","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","TW-6-27 pyridine N-oxide, 1,3,5-F3-2,4,6-I3-benzene","","- C11 H5 F3 I3 N O -","- C11 H5 F3 I3 N O -","- C44 H20 F12 I12 N4 O4 -","4","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.0267","0.0249","","","0.0578","0.0586","","","","","","1.21","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214089","7.94","0.0005","8.5688","0.0006","11.5503","0.0008","89.243","0.002","83.738","0.002","65.57","0.002","710.77","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","TW-6-33 4-methylpyridine-N-oxide, 1,2-diiodotetrafluorobenzene","","- C12 H7 F4 I2 N O -","- C12 H7 F4 I2 N O -","- C24 H14 F8 I4 N2 O2 -","2","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.0307","0.0288","","","0.0753","0.0768","","","","","","1.089","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214090","7.8713","0.0009","23.203","0.003","7.8169","0.0009","90","","92.019","0.004","90","","1426.8","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TW-6-37 3-methylpyridine-N-oxide, 1,2-diiodotetrafluorobenzene","","- C12 H7 F4 I2 N O -","- C12 H7 F4 I2 N O -","- C48 H28 F16 I8 N4 O4 -","4","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.0235","0.0221","","","0.0499","0.0505","","","","","","1.186","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214091","14.1359","0.0014","15.1116","0.0015","24.361","0.003","90","","105.927","0.003","90","","5004.1","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TW-6-13 (2,3,5,6-Me4-pyrazine-1,4-dioxide)2, (1,2-I2-F4-benzene)4","","- C40 H24 F16 I8 N4 O4 -","- C40 H24 F16 I8 N4 O4 -","- C160 H96 F64 I32 N16 O16 -","4","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.0386","0.0341","","","0.0793","0.0816","","","","","","1.025","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214092","7.966","0.0006","9.2821","0.0007","10.1097","0.0008","100.812","0.003","106.262","0.002","95.408","0.003","696.29","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","TW-6-15 2,3,5,6-Me4-pyridine-1,4-dioxide, (1,3,5-F3-2,4,6-I3-benzene)2","","- C20 H12 F6 I6 N2 O2 -","- C20 H12 F6 I6 N2 O2 -","- C20 H12 F6 I6 N2 O2 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.022","0.0204","","","0.0522","0.053","","","","","","1.133","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214093","10.5781","0.0014","11.0107","0.0014","11.389","0.003","101.089","0.002","109.288","0.002","108.473","0.001","1120.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H14 Ag8 Mo8 N16 O28 S4 -","- C8 H12 Ag8 Mo8 N16 O28 S4 -","- C8 H12 Ag8 Mo8 N16 O28 S4 -","1","0.5","","Xu, Xiao; Ju, Weiwei; Hou, Wentao; Zhu, Dunru; Xu, Yan","Two octamolybdate-based complexes: hydrothermal synthesis, structural characterization and properties","CrystEngComm","2014","16","1","82","","10.1039/c3ce41706a","","","0.71073","MoKα","","0.0424","0.0323","","","0.0714","0.075","","","","","","1.09","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214094","9.982","0.002","11.711","0.004","13.987","0.002","72.133","0.003","74.511","0.002","78.879","0.002","1488.7","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C2.77 H3.23 Ag0.31 Mo0.62 N1.38 O2 -","- C2.76923 H3.23077 Ag0.307692 Mo0.615385 N1.38462 O2 -","- C36 H42 Ag4 Mo8 N18 O26 -","13","6.5","","Xu, Xiao; Ju, Weiwei; Hou, Wentao; Zhu, Dunru; Xu, Yan","Two octamolybdate-based complexes: hydrothermal synthesis, structural characterization and properties","CrystEngComm","2014","16","1","82","","10.1039/c3ce41706a","","","0.71073","MoKα","","0.0718","0.0503","","","0.1457","0.1627","","","","","","1.089","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214095","9.6707","0.0007","12.307","0.0007","14.5432","0.0012","85.266","0.002","74.549","0.005","82.829","0.006","1653.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 N6 O8 S -","- C31 H38 N6 O8 S -","- C62 H76 N12 O16 S2 -","2","1","","Žegarac, Miroslav; Lekšić, Edislav; Šket, Primož; Plavec, Janez; Devčić Bogdanović, Maja; Bučar, Dejan-Krešimir; Dumić, Miljenko; Meštrović, Ernest","A sildenafil cocrystal based on acetylsalicylic acid exhibits an enhanced intrinsic dissolution rate","CrystEngComm","2014","16","1","32","","10.1039/c3ce42013b","","","1.54184","CuKα","","0.187","0.1244","","","0.3147","0.3654","","","","","","1.12","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214096","17.0111","0.0011","17.6763","0.0012","20.7596","0.0015","70.129","0.001","70.393","0.001","89.545","0.001","5490.4","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H40 Cu1.5 N6 O33 S4 -","- C58 H40 Cu1.5 N6 O33 S4 -","- C116 H80 Cu3 N12 O66 S8 -","2","1","","Zheng, Guo-Li; Yang, Guo-Cheng; Song, Shu-Yan; Song, Xue-Zhi; Zhang, Hong-Jie","Constructing porous MOF based on the assembly of layer framework and p-sulfonatocalix[4]arene nanocapsule with proton-conductive property","CrystEngComm","2014","16","1","64","","10.1039/c2ce26075a","","","0.71073","MoKα","","0.1306","0.0929","","","0.2537","0.2774","","","","","","0.961","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214097","17.778","0.0013","17.778","0.0013","18.6529","0.0013","90","","90","","120","","5105.6","0.6","210","2","210","2","","","","","","","","5","R -3 :H","-R 3","148","","(2-methyl-imidazolate-4-amide-5-imidato)-cobalt(II) dimethylformamide solvate","","- C7.5 H9.5 Co N4.5 O2.5 -","- C6 H6 Co N4 O2 -","- C108 H108 Co18 N72 O36 -","18","1","","Mondal, Suvendu Sekhar; Bhunia, Asamanjoy; Demeshko, Serhiy; Kelling, Alexandra; Schilde, Uwe; Janiak, Christoph; Holdt, Hans-Jürgen","Synthesis of a Co(ii)‒imidazolate framework from an anionic linker precursor: gas-sorption and magnetic properties","CrystEngComm","2014","16","1","39","","10.1039/c3ce42040j","","","0.71073","MoKα","","0.0772","0.0482","","","0.1142","0.1245","","","","","","0.984","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214098","10.584","0.002","11.362","0.002","15.896","0.003","107.23","0.03","92.05","0.03","109.7","0.03","1699.3","0.8","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H60 Cd2 Cl4 N4 O8 -","- C80 H60 Cd2 Cl4 N4 O8 -","- C80 H60 Cd2 Cl4 N4 O8 -","1","0.5","","Liu, Dong; Lang, Jian-Ping","Regiospecific photodimerization reactions of an unsymmetrical alkene in two coordination compounds","CrystEngComm","2014","16","1","76","","10.1039/c3ce41609g","","","0.71073","MoKα","","0.0456","0.0371","","","0.0837","0.0868","","","","","","0.974","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214099","8.7925","0.0018","11.978","0.002","14.391","0.003","89.67","0.03","74.91","0.03","81.01","0.03","1444.4","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 Cd2 N6 O28 -","- C58 H46 Cd2 N6 O28 -","- C58 H46 Cd2 N6 O28 -","1","0.5","","Liu, Dong; Lang, Jian-Ping","Regiospecific photodimerization reactions of an unsymmetrical alkene in two coordination compounds","CrystEngComm","2014","16","1","76","","10.1039/c3ce41609g","","","0.71073","MoKα","","0.0316","0.0281","","","0.0647","0.0658","","","","","","0.99","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214100","18.423","0.005","18.423","0.005","26.934","0.007","90","","90","","120","","7917","4","173","2","173","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C120 H180 Co6 N6 O50 Zr6 -","- C120 H180 Co6 N6 O50 Zr6 -","- C240 H360 Co12 N12 O100 Zr12 -","2","0.166667","","Malaestean, Iurie L.; Alıcı, Meliha Kutluca; Besson, Claire; Ellern, Arkady; Kögerler, Paul","Solid-state coexistence of {Zr12} and {Zr6} zirconium oxocarboxylate clusters","CrystEngComm","2014","16","1","43","","10.1039/c3ce41829d","","","0.71073","MoKα","","0.0855","0.085","","","0.2102","0.2106","","","","","","1.232","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214101","36.819","0.004","31.046","0.003","28.384","0.005","90","","123.688","0.001","90","","26997","6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C174 H287 Co8 N21 O119 Zr18 -","- C174 H287 Co8 N21 O119 Zr18 -","- C696 H1148 Co32 N84 O476 Zr72 -","4","0.5","","Malaestean, Iurie L.; Alıcı, Meliha Kutluca; Besson, Claire; Ellern, Arkady; Kögerler, Paul","Solid-state coexistence of {Zr12} and {Zr6} zirconium oxocarboxylate clusters","CrystEngComm","2014","16","1","43","","10.1039/c3ce41829d","","","0.71073","MoKα","","0.1198","0.0752","","","0.1916","0.2613","","","","","","1.1","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214102","19.098","0.004","19.098","0.004","16.333","0.003","90","","90","","120","","5159.1","1.8","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C39 H74 N3 O16 P3 -","- C39 H69 N3 O16 P3 -","- C156 H276 N12 O64 P12 -","4","0.333333","","Kalita, Alok Ch.; Sharma, Kamna; Murugavel, Ramaswamy","Pseudopolymorphism leading and two different supramolecular aggregations in a phosphate monoester: role of a rare water-dimer","CrystEngComm","2014","16","1","51","","10.1039/c3ce40912k","","","0.71075","MoKα","","0.0645","0.0638","","","0.1783","0.179","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214103","11.946","0.005","11.952","0.005","12.21","0.005","116.916","0.007","90.454","0.004","92.865","0.007","1551.6","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H24 N O5 P -","- C13 H24 N O5 P -","- C52 H96 N4 O20 P4 -","4","2","","Kalita, Alok Ch.; Sharma, Kamna; Murugavel, Ramaswamy","Pseudopolymorphism leading and two different supramolecular aggregations in a phosphate monoester: role of a rare water-dimer","CrystEngComm","2014","16","1","51","","10.1039/c3ce40912k","","","0.71075","MoKα","","0.0654","0.049","","","0.1051","0.1131","","","","","","1.058","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214104","19.394","0.016","35.68","0.03","15.18","0.011","90","","90.311","0.015","90","","10504","15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H20.66667 N O4.33333 P -","- C12 H19 N O4.33333 P -","- C288 H456 N24 O104 P24 -","24","3","","Kalita, Alok Ch.; Sharma, Kamna; Murugavel, Ramaswamy","Pseudopolymorphism leading and two different supramolecular aggregations in a phosphate monoester: role of a rare water-dimer","CrystEngComm","2014","16","1","51","","10.1039/c3ce40912k","","","0.71075","MoKα","","0.1435","0.1331","","","0.2882","0.2947","","","","","","1.241","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214105","29.37","0.006","20.998","0.003","27.36","0.004","90","","90","","90","","16873","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H12 Cd1.81 Na0.69 O12 -","- C24 H12 Cd1.84 Na0.66 O12 -","- C384 H192 Cd29.44 Na10.56 O192 -","16","1","","Luo, Yu-Hui; Yu, Xiao-Yang; Yang, Jia-Jun; Zhang, Hong","An eight-connected porous metal‒organic framework based on hetero pentanuclear clusters","CrystEngComm","2014","16","1","47","","10.1039/c3ce41785a","","","0.71073","MoKα","","0.1016","0.0746","","","0.1961","0.2174","","","","","","0.991","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214106","10.477","0.0004","23.0584","0.001","22.7761","0.0009","90","","99.028","0.002","90","","5434.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H56 N6 Ni S2 -","- C62 H56 N6 Ni S2 -","- C248 H224 N24 Ni4 S8 -","4","1","","Lusi, Matteo; Barbour, Leonard J.","Temperature-dependent guest reorientation: a reversible order‒disorder transformation in a single crystal","CrystEngComm","2014","16","1","36","","10.1039/c3ce41572d","","","0.71073","MoKα","","0.082","0.0466","","","0.102","0.1159","","","","","","1.03","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214107","10.477","0.0004","23.0584","0.001","22.7761","0.0009","90","","99.028","0.002","90","","5434.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","173D","","","- C62 H56 N6 Ni S2 -","- C62 H56 N6 Ni S2 -","- C248 H224 N24 Ni4 S8 -","4","1","","Lusi, Matteo; Barbour, Leonard J.","Temperature-dependent guest reorientation: a reversible order‒disorder transformation in a single crystal","CrystEngComm","2014","16","1","36","","10.1039/c3ce41572d","","","0.71073","MoKα","","0.1131","0.0572","","","0.1402","0.1685","","","","","","0.965","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214108","10.5793","0.0002","23.1141","0.0004","22.866","0.0004","90","","99.516","0.001","90","","5514.5","0.17","243","2","243","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H56 N6 Ni S2 -","- C61.968 H55.96 N6 Ni S2 -","- C247.872 H223.84 N24 Ni4 S8 -","4","0.5","","Lusi, Matteo; Barbour, Leonard J.","Temperature-dependent guest reorientation: a reversible order‒disorder transformation in a single crystal","CrystEngComm","2014","16","1","36","","10.1039/c3ce41572d","","","0.71073","MoKα","","0.1116","0.0608","","","0.1572","0.1778","","","","","","0.912","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214109","10.6221","0.0007","23.1917","0.0016","23.0275","0.0015","90","","99.649","0.004","90","","5592.4","0.6","313","2","313","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61.99 H55.99 N6 Ni S2 -","- C61.984 H55.98 N6 Ni S2 -","- C247.936 H223.92 N24 Ni4 S8 -","4","0.5","","Lusi, Matteo; Barbour, Leonard J.","Temperature-dependent guest reorientation: a reversible order‒disorder transformation in a single crystal","CrystEngComm","2014","16","1","36","","10.1039/c3ce41572d","","","0.71073","MoKα","","0.1347","0.058","","","0.1517","0.1847","","","","","","1.018","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214110","11.0368","0.0005","8.6083","0.0004","12.0762","0.0006","90","","109.049","0.005","90","","1084.51","0.09","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","Celecoxib-2-Pyrrolidinone","","","- C21 H21 F3 N4 O3 S -","- C21 H21 F3 N4 O3 S -","- C42 H42 F6 N8 O6 S2 -","2","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0509","0.0435","","","0.1047","0.1109","","","","","","1.037","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214111","8.0409","0.0005","27.2426","0.0018","11.7927","0.0008","90","","105.806","0.007","90","","2485.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib-Aza-2-cyclooctanone","","","- C24 H27 F3 N4 O3 S -","- C24 H27 F3 N4 O3 S -","- C96 H108 F12 N16 O12 S4 -","4","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.1211","0.076","","","0.2099","0.2281","","","","","","1.031","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214112","11.7189","0.0011","8.7409","0.0006","12.0503","0.001","90","","103.353","0.01","90","","1200.99","0.18","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","Celecoxib-Caprolactam","","","- C23 H25 F3 N4 O3 S -","- C23 H25 F3 N4 O3 S -","- C46 H50 F6 N8 O6 S2 -","2","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0595","0.0544","","","0.1495","0.1559","","","","","","1.017","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214113","8.7346","0.0006","11.2689","0.001","12.2391","0.0009","81.622","0.007","87.56","0.006","73.363","0.007","1141.94","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Celecoxib-Valerolactam-Form-I","","","- C22 H23 F3 N4 O3 S -","- C22 H23 F3 N4 O3 S -","- C44 H46 F6 N8 O6 S2 -","2","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.1207","0.0577","","","0.1078","0.1374","","","","","","0.953","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214114","22.591","0.002","8.6211","0.0008","23.814","0.002","90","","102.163","0.001","90","","4533.9","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib-Valerolactam-Form-II","","","- C22 H23 F3 N4 O3 S -","- C22 H23 F3 N4 O3 S -","- C176 H184 F24 N32 O24 S8 -","8","2","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0762","0.0618","","","0.1728","0.1878","","","","","","1.027","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214115","14.8501","0.0018","8.419","0.0011","17.761","0.002","90","","93.901","0.002","90","","2215.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Celecoxib-Valerolactam-Form-III","","","- C22 H23 F3 N4 O3 S -","- C22 H23 F3 N4 O3 S -","- C88 H92 F12 N16 O12 S4 -","4","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0998","0.085","","","0.1802","0.1881","","","","","","1.234","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214116","20.6371","0.0005","11.0516","0.0004","20.5751","0.0006","90","","119.356","0.001","90","","4090","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O5 -","- C25 H19 N O5 -","- C200 H152 N8 O40 -","8","2","","Muthusaravanan, Sivasubramanian; Sasikumar, Chinnathambi; Devi Bala, Balasubramanian; Perumal, Subbu","An eco-friendly three-component regio- and stereoselective synthesis of highly functionalized dihydroindeno[1,2-b]pyrroles under grinding","Green Chemistry","2014","16","3","1297","","10.1039/c3gc42150c","","","0.71073","MoKα","","0.0723","0.0511","","","0.1399","0.1589","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214117","14.5983","0.0015","20.935","0.002","8.5228","0.0009","90","","90","","90","","2604.7","0.5","180","2","180","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C9 H21 N O3 -","- C9 H21 N O3 -","- C72 H168 N8 O24 -","8","1","","Vanderveen, Jesse R.; Durelle, Jeremy; Jessop, Philip G.","Design and evaluation of switchable-hydrophilicity solvents","Green Chemistry","2014","16","3","1187","","10.1039/c3gc42164c","","","0.71073","MoKα","","0.0883","0.0614","","","0.1413","0.1531","","","","","","1.075","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7214118","9.0629","0.0011","11.2174","0.0014","16.215","0.002","90","","104.835","0.001","90","","1593.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","1","","Das, Paramita; Dutta, Arghya; Bhaumik, Asim; Mukhopadhyay, Chhanda","Heterogeneous ditopic ZnFe2O4 catalyzed synthesis of 4H-pyrans: further conversion to 1,4-DHPs and report of functional group interconversion from amide to ester","Green Chemistry","2014","16","3","1426","","10.1039/c3gc42095g","","","0.71073","MoKα","","0.0437","0.0356","","","0.1085","0.1196","","","","","","0.843","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214119","10.0929","0.0003","6.337","0.0002","12.8314","0.0004","90","","100.192","0.001","90","","807.73","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C42 H32 N4 O2 -","2","1","","Das, Paramita; Dutta, Arghya; Bhaumik, Asim; Mukhopadhyay, Chhanda","Heterogeneous ditopic ZnFe2O4 catalyzed synthesis of 4H-pyrans: further conversion to 1,4-DHPs and report of functional group interconversion from amide to ester","Green Chemistry","2014","16","3","1426","","10.1039/c3gc42095g","","","0.71073","MoKα","","0.0558","0.0485","","","0.1422","0.1582","","","","","","0.785","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214120","6.937","0.005","11.638","0.009","13.019","0.01","75.535","0.008","89.874","0.009","76.165","0.008","986.4","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N O5 -","- C26 H17 N O5 -","- C52 H34 N2 O10 -","2","1","","Das, Paramita; Dutta, Arghya; Bhaumik, Asim; Mukhopadhyay, Chhanda","Heterogeneous ditopic ZnFe2O4 catalyzed synthesis of 4H-pyrans: further conversion to 1,4-DHPs and report of functional group interconversion from amide to ester","Green Chemistry","2014","16","3","1426","","10.1039/c3gc42095g","","","0.71073","MoKα","","0.0998","0.0635","","","0.1788","0.2145","","","","","","0.931","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214121","8.6867","0.0005","11.0032","0.0007","12.0059","0.0007","70.06","0.002","84.209","0.002","76.001","0.002","1046.5","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C44 H54 N6 O6 -","2","1","","Das, Paramita; Dutta, Arghya; Bhaumik, Asim; Mukhopadhyay, Chhanda","Heterogeneous ditopic ZnFe2O4 catalyzed synthesis of 4H-pyrans: further conversion to 1,4-DHPs and report of functional group interconversion from amide to ester","Green Chemistry","2014","16","3","1426","","10.1039/c3gc42095g","","","0.71073","MoKα","","0.0653","0.0542","","","0.1683","0.1864","","","","","","0.961","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214122","6.892","0.003","8.967","0.003","8.538","0.003","90","","112.7","0.004","90","","486.8","0.3","571","2","571","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","dia-2","dia-cyclopentadienyldibromodicarbonyl Re(III)","","- C7 H5 Br2 O2 Re -","- C7 H5 Br2 O2 Re -","- C14 H10 Br4 O4 Re2 -","2","0.5","","Hernández, José G.; Macdonald, Neil A. J.; Mottillo, Cristina; Butler, Ian S.; Friščić, Tomislav","A mechanochemical strategy for oxidative addition: remarkable yields and stereoselectivity in the halogenation of organometallic Re(i) complexes","Green Chemistry","2014","16","3","1087","","10.1039/c3gc42104j","","","0.71073","MoKα","","0.0507","0.0319","","","0.0718","0.0778","","","","","","1.015","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214123","6.34","0.0011","12.504","0.002","6.4937","0.0011","90","","109.161","0.002","90","","486.27","0.14","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","lat-2","lat-cyclopentadienyldibromodicarbonyl Re(III)","","- C7 H5 Br2 O2 Re -","- C7 H5 Br2 O2 Re -","- C14 H10 Br4 O4 Re2 -","2","0.5","","Hernández, José G.; Macdonald, Neil A. J.; Mottillo, Cristina; Butler, Ian S.; Friščić, Tomislav","A mechanochemical strategy for oxidative addition: remarkable yields and stereoselectivity in the halogenation of organometallic Re(i) complexes","Green Chemistry","2014","16","3","1087","","10.1039/c3gc42104j","","","0.71073","MoKα","","0.0441","0.0391","","","0.1058","0.1087","","","","","","1.043","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214124","6.2456","0.0009","12.2155","0.0017","6.2656","0.0009","90","","106.932","0.001","90","","457.3","0.11","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","lat-CpRe(CO)2Cl2","lat-cyclopentadienyldichlorodicarbonyl Re(III)","","- C7 H5 Cl2 O2 Re -","- C7 H5 Cl2 O2 Re -","- C14 H10 Cl4 O4 Re2 -","2","0.5","","Hernández, José G.; Macdonald, Neil A. J.; Mottillo, Cristina; Butler, Ian S.; Friščić, Tomislav","A mechanochemical strategy for oxidative addition: remarkable yields and stereoselectivity in the halogenation of organometallic Re(i) complexes","Green Chemistry","2014","16","3","1087","","10.1039/c3gc42104j","","","0.71073","MoKα","","0.0165","0.0163","","","0.0395","0.0396","","","","","","1.129","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214125","13.389","0.005","9.29","0.004","9.128","0.004","90","","107.669","0.004","90","","1081.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","dia-CpRe(CO)2I2","dia-cyclopentadienyldiiododicarbonyl Re(III)","","- C7 H5 I2 O2 Re -","- C7 H5 I2 O2 Re -","- C28 H20 I8 O8 Re4 -","4","0.5","","Hernández, José G.; Macdonald, Neil A. J.; Mottillo, Cristina; Butler, Ian S.; Friščić, Tomislav","A mechanochemical strategy for oxidative addition: remarkable yields and stereoselectivity in the halogenation of organometallic Re(i) complexes","Green Chemistry","2014","16","3","1087","","10.1039/c3gc42104j","","","0.71073","MoKα","","0.0479","0.0414","","","0.102","0.1076","","","","","","1.052","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214126","10.2819","0.0009","10.7707","0.0009","15.6284","0.0014","90","","90","","90","","1730.7","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C92 H80 N8 -","4","1","","Solan, Agnes; Nişanci, Bilal; Belcher, Miranda; Young, Jonathon; Schäfer, Christian; Wheeler, Kraig A.; Török, Béla; Dembinski, Roman","Catalyst-free chemo-/regio-/stereo-selective amination of alk-3-ynones. Synthesis of 1,5-benzodiazepines and 3-amino-2-alkenones","Green Chemistry","2014","16","3","1120","","10.1039/c3gc41898g","","","1.54178","CuKα","","0.0568","0.0521","","","0.1401","0.1445","","","","","","1.032","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214127","5.7713","0.0009","16.573","0.002","25.145","0.004","90","","92.354","0.008","90","","2403","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-3-[(2-amino-4,5-dimethylphenyl)amino]-4- (4-tert-butylphenyl)-1-(4-chlorophenyl)but-2-en-1-one","","- C28 H31 Cl N2 O -","- C28 H31 Cl N2 O -","- C112 H124 Cl4 N8 O4 -","4","1","","Solan, Agnes; Nişanci, Bilal; Belcher, Miranda; Young, Jonathon; Schäfer, Christian; Wheeler, Kraig A.; Török, Béla; Dembinski, Roman","Catalyst-free chemo-/regio-/stereo-selective amination of alk-3-ynones. Synthesis of 1,5-benzodiazepines and 3-amino-2-alkenones","Green Chemistry","2014","16","3","1120","","10.1039/c3gc41898g","","","1.54178","CuKα","","0.0753","0.0403","","","0.0874","0.0997","","","","","","1.026","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214128","11.0906","0.0003","14.6981","0.0005","7.6029","0.0008","90","","90","","90","","1239.35","0.14","250","2","250","2","","","","","","","","4","P n a 21","P 2c -2n","33","(pa)2(ox)","1-propylammonium oxalate","","- C8 H20 N2 O4 -","- C8 H20 N2 O4 -","- C32 H80 N8 O16 -","4","1","","Qi, Feng; Stein, Robin S.; Friščić, Tomislav","Mimicking mineral neogenesis for the clean synthesis of metal‒organic materials from mineral feedstocks: coordination polymers, MOFs and metal oxide separation","Green Chemistry","2014","16","1","121","","10.1039/c3gc41370e","","","0.71073","MoKα","","0.1177","0.0807","","","0.2215","0.2622","","","","","","1.05","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214129","8.459","0.003","15.354","0.006","8.964","0.003","90","","94.69","0.012","90","","1160.3","0.7","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H29 F6 N2 P S -","- C21 H29 F6 N2 P S -","- C42 H58 F12 N4 P2 S2 -","2","1","","Foreiter, Magdalena B.; Gunaratne, H. Q. Nimal; Nockemann, Peter; Seddon, Kenneth R.; Srinivasan, Geetha","Novel chiral ionic liquids: physicochemical properties and investigation of the internal rotameric behaviour in the neat system.","Physical chemistry chemical physics : PCCP","2014","16","3","1208","1226","10.1039/c3cp53472c","","","1.54187","CuKα","","0.0656","0.0655","","","0.1692","0.1695","","","","","","1.047","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214130","12.0601","0.0008","12.5854","0.0003","12.9527","0.0004","90","","90","","90","","1965.98","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Br N2 S -","- C19 H25 Br N2 S -","- C76 H100 Br4 N8 S4 -","4","1","","Foreiter, Magdalena B.; Gunaratne, H. Q. Nimal; Nockemann, Peter; Seddon, Kenneth R.; Srinivasan, Geetha","Novel chiral ionic liquids: physicochemical properties and investigation of the internal rotameric behaviour in the neat system.","Physical chemistry chemical physics : PCCP","2014","16","3","1208","1226","10.1039/c3cp53472c","","","0.71073","MoKα","","0.0306","0.0228","","","0.0407","0.0428","","","","","","1.022","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214131","5.097","0.002","10.746","0.005","16.604","0.007","96.374","0.01","94.825","0.011","97.872","0.011","890.7","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1,3-bis[4-(N,N-di-n-hexylamino)-2,6-dihydroxyphenyl]-squaraine","","- C40 H60 N2 O6 -","- C40 H60 N2 O6 -","- C40 H60 N2 O6 -","1","0.5","","Brück, S; Krause, C.; Turrisi, R.; Beverina, L.; Wilken, S.; Saak, W.; Lützen, A; Borchert, H.; Schiek, M.; Parisi, J.","Structure-property relationship of anilino-squaraines in organic solar cells.","Physical chemistry chemical physics : PCCP","2014","16","3","1067","1077","10.1039/c3cp54163k","","","0.71073","MoKα","","0.12","0.0583","","","0.1162","0.1387","","","","","","1.007","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214132","5.6706","0.0002","16.8421","0.0007","14.3536","0.0006","90","","97.943","0.002","90","","1357.69","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-bis[4-(N-sec-butyl-N-n-propylamino)-2,6-dihydroxyphenyl]squaraine","","- C30 H40 N2 O6 -","- C30 H40 N2 O6 -","- C60 H80 N4 O12 -","2","0.5","","Brück, S; Krause, C.; Turrisi, R.; Beverina, L.; Wilken, S.; Saak, W.; Lützen, A; Borchert, H.; Schiek, M.; Parisi, J.","Structure-property relationship of anilino-squaraines in organic solar cells.","Physical chemistry chemical physics : PCCP","2014","16","3","1067","1077","10.1039/c3cp54163k","","","0.71073","MoKα","","0.0802","0.0614","","","0.1467","0.1571","","","","","","1.054","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214133","29.713","0.004","4.9822","0.0002","25.526","0.004","90","","136.84","0.03","90","","2584.8","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Isonicotinamide 4-hydroxy-3-nitrobenzoic acid co-crystal","","- C13 H11 N3 O6 -","- C13 H11 N3 O6 -","- C104 H88 N24 O48 -","8","1","","Stevens, Joanna S.; Byard, Stephen J.; Seaton, Colin C.; Sadiq, Ghazala; Davey, Roger J.; Schroeder, Sven L. M.","Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes.","Physical chemistry chemical physics : PCCP","2014","16","3","1150","1160","10.1039/c3cp53907e","","","0.71073","MoKα","","0.0468","0.0342","","","0.0882","0.0917","","","","","","0.942","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214134","12.8093","0.0014","13.1563","0.0012","7.4708","0.0008","90","","90","","90","","1259","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","pyridinium-4-carboxamide 2,4,6-trihydroxybenzoate","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C52 H48 N8 O24 -","4","1","","Stevens, Joanna S.; Byard, Stephen J.; Seaton, Colin C.; Sadiq, Ghazala; Davey, Roger J.; Schroeder, Sven L. M.","Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes.","Physical chemistry chemical physics : PCCP","2014","16","3","1150","1160","10.1039/c3cp53907e","","","0.71073","MoKα","","0.0658","0.0391","","","0.0823","0.1321","","","","","","0.991","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214135","13.638","0.004","16.772","0.004","20.382","0.005","71.783","0.005","80.567","0.007","87.282","0.007","4369","2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H18 Co F15 N6 -","- C47 H18 Co F15 N6 -","- C188 H72 Co4 F60 N24 -","4","2","","Lei, Haitao; Han, Ali; Li, Fengwang; Zhang, Meining; Han, Yongzhen; Du, Pingwu; Lai, Wenzhen; Cao, Rui","Electrochemical, spectroscopic and theoretical studies of a simple bifunctional cobalt corrole catalyst for oxygen evolution and hydrogen production.","Physical chemistry chemical physics : PCCP","2014","16","5","1883","1893","10.1039/c3cp54361g","","","0.71073","MoKα","","0.1441","0.0989","","","0.2547","0.2712","","","","","","1.037","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214136","6.0346","0.0001","19.3933","0.0004","7.4728","0.0002","90","","94.931","0.001","90","","871.31","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 N4 O -","- C22 H18 N4 O -","- C44 H36 N8 O2 -","2","1","","Bronner, Catherine; Wenger, Oliver S.","Long-range proton-coupled electron transfer in phenol-Ru(2,2'-bipyrazine)3(2+) dyads.","Physical chemistry chemical physics : PCCP","2014","16","8","3617","3622","10.1039/c3cp55071k","","","0.71073","MoKα","","0.0384","0.0361","","","0.1011","0.1031","","","","","","1.053","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214137","13.2539","0.0016","4.4978","0.0005","15.1638","0.0018","90","","113.097","0.001","90","","831.51","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0581","0.0409","","","0.1062","0.1181","","","","","","1.045","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214138","7.5226","0.0005","8.9711","0.0006","9.9836","0.0006","108.789","0.001","96.883","0.001","96.573","0.001","624.8","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 Co N6 O14 -","- C16 H32 Co N6 O14 -","- C16 H32 Co N6 O14 -","1","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0381","0.0377","","","0.1135","0.1139","","","","","","1.236","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214139","7.6133","0.0007","9.0446","0.0009","9.8805","0.0009","109.078","0.001","97.01","0.001","96.388","0.001","629.85","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N6 Ni O14 -","- C16 H32 N6 Ni O14 -","- C16 H32 N6 Ni O14 -","1","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0398","0.0354","","","0.1003","0.1043","","","","","","1.083","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214140","9.726","0.012","10.303","0.013","13.774","0.017","82.146","0.018","71.384","0.018","83.78","0.02","1293","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Cu2 N18 O14 -","- C48 H44 Cu2 N18 O14 -","- C48 H44 Cu2 N18 O14 -","1","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.1468","0.0571","","","0.0846","0.107","","","","","","1.009","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214141","6.9803","0.0001","8.0918","0.0001","9.3207","0.0001","70.662","0.001","74.329","0.001","74.113","0.001","468.351","0.011","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Ag N3 O3 -","- C8 H8 Ag N3 O3 -","- C16 H16 Ag2 N6 O6 -","2","1","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0272","0.0245","","","0.059","0.061","","","","","","1.052","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214142","13.3029","0.001","15.8363","0.0012","8.052","0.0006","90","","93.003","0.001","90","","1694","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N6 O5 Zn -","- C16 H14 N6 O5 Zn -","- C64 H56 N24 O20 Zn4 -","4","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0236","0.0219","","","0.0614","0.0625","","","","","","1.054","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214143","13.7012","0.0009","16.2853","0.001","7.9527","0.0005","90","","95.641","0.001","90","","1765.88","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cd N6 O5 -","- C16 H14 Cd N6 O5 -","- C64 H56 Cd4 N24 O20 -","4","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0179","0.0168","","","0.0461","0.047","","","","","","1.023","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214144","9.485","0.0009","10.5635","0.001","15.7452","0.0016","98.015","0.001","91.021","0.001","114.802","0.001","1413","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cu2 N9 O8 -","- C24 H21 Cu2 N9 O8 -","- C48 H42 Cu4 N18 O16 -","2","1","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0596","0.0457","","","0.1355","0.1465","","","","","","1.046","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214145","16.2735","0.0018","7.0113","0.0008","7.9722","0.0009","90","","90.037","0.001","90","","909.61","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Mn N6 O6 -","- C16 H16 Mn N6 O6 -","- C32 H32 Mn2 N12 O12 -","2","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0402","0.0312","","","0.0752","0.0866","","","","","","1.105","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214146","8.697","0.004","18.417","0.003","19.169","0.004","90","","107.498","0.013","90","","2928.3","1.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N5 -","- C18 H13 N5 -","- C144 H104 N40 -","8","2","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.0763","0.0426","","","0.089","0.0997","","","","","","0.905","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214147","7.548","0.004","10.06","0.005","30.328","0.003","85.046","0.004","87.38","0.002","77.318","0.001","2237.5","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H45 N12 O15.5 Zn -","- C36 H30 N12 O15.5 Zn -","- C72 H60 N24 O31 Zn2 -","2","1","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.1422","0.1039","","","0.2595","0.2826","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214148","11.642","0.003","10.284","0.005","19.916","0.003","90","","114.706","0.016","90","","2166.2","1.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H46 N10 O11 Zn -","- C40 H36 N10 O11 Zn -","- C80 H72 N20 O22 Zn2 -","2","0.5","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.126","0.0553","","","0.1135","0.1351","","","","","","0.869","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214149","12.036","0.003","10.259","0.003","17.392","0.004","90","","103.406","0.004","90","","2089","0.9","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H44 Cd N12 O15 -","- C36 H26 Cd N12 O15 -","- C72 H52 Cd2 N24 O30 -","2","0.5","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.151","0.0965","","","0.265","0.293","","","","","","0.994","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214150","10.395","0.003","11.295","0.004","17.949","0.002","74.14","0.004","84.051","0.004","77.807","0.003","1979.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Cd N10 O7 -","- C40 H31 Cd N10 O7 -","- C80 H62 Cd2 N20 O14 -","2","1","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.0996","0.0501","","","0.0971","0.1099","","","","","","0.853","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214151","9.1893","0.0003","26.0295","0.0008","12.8033","0.0004","90","","93.311","0.001","90","","3057.35","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Co3 N3 O17 -","- C25 H27 Co3 N3 O17 -","- C100 H108 Co12 N12 O68 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Su, Chong-Cheng; Hsu, Hui-Huan; Yang, Chen-I; Lu, Kuang-Lieh","An unusual cobalt(ii)-based single-walled metal‒organic nanotube","CrystEngComm","2014","16","13","2626","","10.1039/c3ce41952e","","","0.71073","MoKα","","0.0334","0.0271","","","0.0661","0.079","","","","","","1.105","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214152","19.0317","0.0008","7.4124","0.0004","26.3256","0.0012","90","","90.092","0.002","90","","3713.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Co4 N4 O26 -","- C28 H32 Co4 N4 O26 -","- C112 H128 Co16 N16 O104 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Su, Chong-Cheng; Hsu, Hui-Huan; Yang, Chen-I; Lu, Kuang-Lieh","An unusual cobalt(ii)-based single-walled metal‒organic nanotube","CrystEngComm","2014","16","13","2626","","10.1039/c3ce41952e","","","0.71073","MoKα","","0.0283","0.0272","","","0.0671","0.068","","","","","","1.037","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214153","16.4253","0.0004","15.1866","0.0004","12.6499","0.0003","90","","101.602","0.001","90","","3090.98","0.13","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Co2 N6 O14 -","- C28 H34 Co2 N6 O14 -","- C112 H136 Co8 N24 O56 -","4","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Su, Chong-Cheng; Hsu, Hui-Huan; Yang, Chen-I; Lu, Kuang-Lieh","An unusual cobalt(ii)-based single-walled metal‒organic nanotube","CrystEngComm","2014","16","13","2626","","10.1039/c3ce41952e","","","0.71073","MoKα","","0.0399","0.0361","","","0.0908","0.0935","","","","","","0.997","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214154","14.437","0.009","17.293","0.011","5.604","0.004","90","","90.202","0.008","90","","1399.1","1.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N2 O8 P2 -","- C11 H18 N2 O8 P2 -","- C44 H72 N8 O32 P8 -","4","1","","Tian, Di; Xiong, Juan; Liang, Xi-chao; Deng, Jing; Yuan, Liang-jie; Chen, Shuo-ping","(AEDPH3)·(8-OQH)·(H2O): a yellow supramolecular plaster with ammonia adsorption and ammonia-induced discoloration properties","CrystEngComm","2014","16","13","2732","","10.1039/c3ce41940a","","","0.71073","MoKα","","0.1246","0.1117","","","0.3106","0.3306","","","","","","1.378","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214155","16.654","0.003","20.426","0.004","21.802","0.007","90","","128.991","0.018","90","","5764","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H49 Co3 N3 O23 S3 -","- C48 H38 Co3 N2 O22 S3 -","- C192 H152 Co12 N8 O88 S12 -","4","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.1238","0.0939","","","0.2407","0.2602","","","","","","1.118","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214156","25.087","0.004","25.087","0.004","15.026","0.003","90","","90","","90","","9457","3","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H15 Co2 N3 O9 S -","- C16 H10 Co2 N3 O8 S -","- C256 H160 Co32 N48 O128 S16 -","16","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0468","0.041","","","0.1055","0.1095","","","","","","1.119","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214157","25.37","0.01","25.37","0.01","15.204","0.003","90","","90","","90","","9786","6","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H16 Co2 N4 O9 S -","- C16 H11 Co2 N4 O8 S -","- C256 H176 Co32 N64 O128 S16 -","16","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.1506","0.1078","","","0.2408","0.2701","","","","","","1.149","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214158","23.564","0.005","7.1412","0.0014","32.254","0.007","90","","105.5","0.03","90","","5230","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Co N3 O8.5 S2 -","- C24 H16 Co N3 O7 S2 -","- C192 H128 Co8 N24 O56 S16 -","8","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0825","0.0623","","","0.1252","0.1351","","","","","","1.142","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214159","12.248","0.002","22.262","0.005","7.1435","0.0014","90","","124.47","0.03","90","","1605.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H13 Cu O8.5 S -","- C14 H8 Cu O7 S -","- C56 H32 Cu4 O28 S4 -","4","0.5","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0468","0.0409","","","0.095","0.0987","","","","","","1.07","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214160","24.344","0.003","24.344","0.003","15.067","0.003","90","","90","","90","","8929","2","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H15 Cu2 N3 O9 S -","- C16 H10 Cu2 N3 O8 S -","- C256 H160 Cu32 N48 O128 S16 -","16","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0814","0.0722","","","0.1833","0.1913","","","","","","1.039","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214161","30.671","0.006","16.577","0.003","9.851","0.002","90","","90","","90","","5008.6","1.7","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H15 N8 O6.5 S Zn2 -","- C18 H14 N8 O6 S Zn2 -","- C144 H112 N64 O48 S8 Zn16 -","8","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0755","0.0505","","","0.1138","0.1252","","","","","","1.023","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214162","22.9377","0.0004","11.6666","0.0002","23.2743","0.0003","90","","110.939","0.001","90","","5817.01","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Co2 N4 O4 -","- C36 H24 Co2 N4 O4 -","- C288 H192 Co16 N32 O32 -","8","1","","Zhang, Xiao-min; Li, Jian-qiang; Liu, Shu-juan; Luo, Ming-biao; Xu, Wen-yuan; Luo, Feng","Modulation of experimental conditions towards generation of a heterometallic Na2Co4 cluster or a homometallic Co4 cluster and ligand formed in situ","CrystEngComm","2014","16","13","2570","","10.1039/c3ce42466a","","","0.71073","MoKα","","0.04","0.0292","","","0.0723","0.0791","","","","","","1.047","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214163","13.2745","0.0008","13.8673","0.0007","14.0374","0.0008","68.967","0.003","62.873","0.004","68.017","0.003","2076.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H68 Co4 N10 Na2 O10 -","- C98 H68 Co4 N10 Na2 O10 -","- C98 H68 Co4 N10 Na2 O10 -","1","0.5","","Zhang, Xiao-min; Li, Jian-qiang; Liu, Shu-juan; Luo, Ming-biao; Xu, Wen-yuan; Luo, Feng","Modulation of experimental conditions towards generation of a heterometallic Na2Co4 cluster or a homometallic Co4 cluster and ligand formed in situ","CrystEngComm","2014","16","13","2570","","10.1039/c3ce42466a","","","0.71073","MoKα","","0.0827","0.0441","","","0.0975","0.1171","","","","","","0.995","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7214164","8.792","0.004","11.024","0.005","16.479","0.007","84.58","0.007","85.459","0.007","78.893","0.007","1557.2","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H74 Mn4 N4 O26 -","- C58 H72 Mn4 N4 O25 -","- C58 H72 Mn4 N4 O25 -","1","0.5","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.1019","0.0659","","","0.1601","0.1833","","","","","","1.029","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214165","11.08","0.003","16.583","0.004","16.6","0.004","68.533","0.005","89.208","0.004","89.167","0.004","2838.1","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 N0 Ni2 O22 -","- C34 H30 Ni2 O16 -","- C68 H60 Ni4 O32 -","2","1","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.0844","0.0555","","","0.1564","0.1662","","","","","","0.956","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214166","15.4676","0.0017","13.1962","0.0015","26.497","0.003","90","","98.729","0.002","90","","5345.8","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 Cd2 N4 O19 -","- C39 H35 Cd2 N O15 -","- C156 H140 Cd8 N4 O60 -","4","1","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.0551","0.0412","","","0.1128","0.1197","","","","","","1.033","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214167","10.168","0.003","18.035","0.005","27.054","0.008","90","","99.321","0.005","90","","4896","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H57 Co2 N3 O19 -","- C34 H27 Co2 O14 -","- C136 H108 Co8 O56 -","4","1","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.0659","0.0525","","","0.1531","0.1599","","","","","","1.069","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214168","10.107","0.004","18.338","0.007","27.084","0.011","90","","99.285","0.008","90","","4954","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 N2 O20 Zn2 -","- C34 H26 O14 Zn2 -","- C136 H104 O56 Zn8 -","4","1","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.0896","0.0492","","","0.1216","0.1326","","","","","","0.86","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214169","8.047","0.002","8.016","0.002","12.733","0.004","90","","95.38","0.004","90","","817.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Ag N3 O4 -","- C6 H6 Ag N3 O4 -","- C24 H24 Ag4 N12 O16 -","4","1","","Zhao, Ya-Qin; Fang, Ming-Xiang; Xu, Zheng-Hu; Wang, Xing-Po; Wang, Su-Na; Han, Lu-Lu; Li, Xiao-Yu; Sun, Di","Construction of a crystalline Ag(i) coordination polymer based on a new ligand generated from unusual in situ aza-Michael addition reaction","CrystEngComm","2014","16","14","3015","","10.1039/c4ce00087k","","","0.71073","MoKα","","0.0285","0.026","","","0.0592","0.0604","","","","","","1.088","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214170","3.9061","0.0001","20.4757","0.0003","10.6097","0.0002","90","","98.436","0.001","90","","839.38","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N4 S -","- C8 H6 N4 S -","- C32 H24 N16 S4 -","4","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0589","0.0405","","","0.1071","0.1178","","","","","","1.091","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214171","19.181","0.004","11.579","0.003","12.642","0.003","90","","90","","90","","2807.7","1.1","293","2","293","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C16 H12 Ag3 Cl3 N8 O12 S2 -","- C16 H12 Ag3 Cl3 N8 O12 S2 -","- C64 H48 Ag12 Cl12 N32 O48 S8 -","4","0.25","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0676","0.0401","","","0.0929","0.1087","","","","","","1.05","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214172","22.2549","0.0004","9.4868","0.0002","15.7184","0.0003","90","","91.476","0.001","90","","3317.49","0.11","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Ag3 F9 N8 O9 S5 -","- C19 H12 Ag3 F9 N8 O9 S5 -","- C76 H48 Ag12 F36 N32 O36 S20 -","4","0.5","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0396","0.0356","","","0.0964","0.0992","","","","","","1.063","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214173","11.135","0.005","12.38","0.006","14.607","0.007","84.662","0.012","89.537","0.011","67.261","0.01","1848.2","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H16 Ag3 F9 N8 O12 S5 -","- C19 H16 Ag3 F9 N8 O12 S5 -","- C38 H32 Ag6 F18 N16 O24 S10 -","2","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.1144","0.0588","","","0.1317","0.1583","","","","","","1.019","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214174","8.9469","0.0002","23.6973","0.0006","7.3859","0.0002","90","","108.4","0.002","90","","1485.88","0.07","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H8 Ag2 N6 O7 S -","- C8 H8 Ag2 N6 O7 S -","- C32 H32 Ag8 N24 O28 S4 -","4","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0325","0.028","","","0.061","0.064","","","","","","1.03","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214175","8.5705","0.0007","15.3195","0.0013","8.431","0.0006","90","","90","","90","","1106.95","0.15","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H6 Ag N5 O2 S -","- C8 H6 Ag N5 O2 S -","- C32 H24 Ag4 N20 O8 S4 -","4","0.5","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0263","0.0231","","","0.0564","0.0591","","","","","","1.051","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214176","18.4365","0.0017","10.2983","0.0009","15.905","0.003","90","","118.923","0.003","90","","2643.1","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 Ag2 N6 O4 S -","- C8 H6 Ag2 N6 O4 S -","- C64 H48 Ag16 N48 O32 S8 -","8","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0332","0.0306","","","0.0695","0.0711","","","","","","1.036","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214177","18.7675","0.0004","22.308","0.0004","13.9336","0.0005","90","","128.147","0.001","90","","4587.6","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 Ag2 F10 N4 O4 S -","- C14 H6 Ag2 F10 N4 O4 S -","- C112 H48 Ag16 F80 N32 O32 S8 -","8","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.1198","0.0574","","","0.1534","0.1868","","","","","","1.042","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214178","10.1484","0.0014","21.509","0.003","25.374","0.003","90","","99.561","0.002","90","","5461.7","1.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 Gd N3 O13 S2 -","- C21 H18 Gd N3 O13 S2 -","- C168 H144 Gd8 N24 O104 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0651","0.0487","","","0.1428","0.1587","","","","","","1.039","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214179","20.199","0.004","18.625","0.003","13.918","0.003","90","","117.069","0.002","90","","4662.5","1.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N3 Nd O9 S2 -","- C22 H13 N3 Nd O9 S2 -","- C176 H104 N24 Nd8 O72 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.1163","0.0554","","","0.1062","0.1211","","","","","","0.998","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214180","20.1864","0.0016","18.5532","0.0015","13.8708","0.0011","90","","117.337","0.001","90","","4614.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 Eu N3 O9 S2 -","- C22 H13 Eu N3 O9 S2 -","- C176 H104 Eu8 N24 O72 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0467","0.0353","","","0.101","0.1093","","","","","","1.001","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214181","20.084","0.004","18.534","0.004","13.831","0.004","90","","117.639","0.002","90","","4560.9","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N3 O9 S2 Tb -","- C22 H15 N3 O9 S2 Tb -","- C176 H120 N24 O72 S16 Tb8 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.1069","0.0555","","","0.1259","0.1529","","","","","","1.008","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214182","20.01","0.003","18.516","0.002","13.7905","0.0018","90","","117.896","0.002","90","","4515.7","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Er N3 O9 S2 -","- C22 H13 Er N3 O8.5 S2 -","- C176 H104 Er8 N24 O68 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0961","0.0544","","","0.1156","0.1336","","","","","","1.091","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214183","19.952","0.007","18.5","0.006","13.756","0.005","90","","117.935","0.004","90","","4486","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N3 O9 S2 Yb -","- C22 H15 N3 O9 S2 Yb -","- C176 H120 N24 O72 S16 Yb8 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0776","0.0473","","","0.1028","0.1197","","","","","","1.029","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214184","19.858","0.003","18.452","0.002","13.7432","0.0018","90","","118.078","0.002","90","","4443.1","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 Lu N3 O9 S2 -","- C22 H13 Lu N3 O9 S2 -","- C176 H104 Lu8 N24 O72 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0797","0.0467","","","0.0949","0.1115","","","","","","1.015","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214185","8.9698","0.0006","21.7582","0.0015","13.4973","0.001","90","","92.164","0.001","90","","2632.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O13 S2 Yb -","- C22 H23 N3 O13 S2 Yb -","- C88 H92 N12 O52 S8 Yb4 -","4","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0375","0.0302","","","0.0757","0.0792","","","","","","1.036","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214186","8.983","0.002","21.722","0.005","13.532","0.003","90","","92.122","0.003","90","","2638.7","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Lu N3 O13 S2 -","- C22 H23 Lu N3 O13 S2 -","- C88 H92 Lu4 N12 O52 S8 -","4","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0878","0.0528","","","0.1211","0.1391","","","","","","0.982","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214187","19.408","0.006","13.692","0.004","23.83","0.007","90","","90.937","0.004","90","","6332","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C1.2 H1.4 N0.14 O0.72 S0.1 Yb0.05 -","- C1.20482 H0.915663 N0.144578 O0.722892 S0.0963855 Yb0.0481928 -","- C200 H152 N24 O120 S16 Yb8 -","166","20.75","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0752","0.0473","","","0.1113","0.1245","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214188","19.4274","0.0014","13.6955","0.001","23.855","0.0017","90","","91.004","0.001","90","","6346.1","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 Lu N3 O15 S2 -","- C25 H19 Lu N3 O15 S2 -","- C200 H152 Lu8 N24 O120 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0557","0.0376","","","0.0919","0.1017","","","","","","1.026","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214189","10.744","0.003","11.964","0.003","12.004","0.006","109.647","0.004","103.175","0.004","109.375","0.003","1266.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Dy N3 O10 S2 -","- C25 H19 Dy N3 O10 S2 -","- C50 H38 Dy2 N6 O20 S4 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0552","0.0459","","","0.1136","0.1222","","","","","","1.009","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214190","10.7213","0.001","11.9418","0.0011","11.9667","0.0011","109.74","0.001","103.138","0.001","109.217","0.001","1259.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Er N3 O10 S2 -","- C25 H19 Er N3 O10 S2 -","- C50 H38 Er2 N6 O20 S4 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0409","0.0346","","","0.0786","0.0824","","","","","","1.049","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214191","11.0387","0.0002","11.0387","0.0002","6.6318","0.0005","90","","90","","90","","808.1","0.06","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C12 H12 B Br Cd N8 -","- C12 H12 B Br Cd N8 -","- C24 H24 B2 Br2 Cd2 N16 -","2","0.25","","Yang, E.; Wang, Lin; Zhang, Jian","A luminescent neutral cadmium(ii)‒boron(iii)‒imidazolate framework with sql net","CrystEngComm","2014","16","14","2889","","10.1039/c3ce42604a","","","0.71073","MoKα","","0.0725","0.0626","","","0.1614","0.1706","","","","","","1.049","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214219","8.2063","0.0005","8.2062","0.0005","9.3823","0.001","90","","90","","90","","631.83","0.09","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H6 Mn O5 -","- C4 H6 Mn O5 -","- C16 H24 Mn4 O20 -","4","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","0.71073","MoKα","","0.0312","0.0244","","","0.0438","0.0456","","","","","","1.108","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214220","13.5402","0.0004","13.5402","0.0004","17.444","0.0009","90","","90","","90","","3198.1","0.2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C5 H8 Mn O5 -","- C5 H8 Mn O5 -","- C80 H128 Mn16 O80 -","16","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","1.54184","CuKα","","0.0271","0.0255","","","0.0658","0.067","","","","","","1.083","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214221","24.711","0.002","6.8871","0.0004","10.9942","0.0006","90","","90","","90","","1871.1","0.2","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C7 H12 Mn O5 -","- C7 H12 Mn O5 -","- C56 H96 Mn8 O40 -","8","","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","0.71073","MoKα","","0.0435","0.0349","","","0.0806","0.0867","","","","","","1.091","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214222","7.9692","0.0009","9.1132","0.0008","12.9102","0.0011","90","","102.204","0.007","90","","916.41","0.15","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H12 Mn O5 -","- C7 H12 Mn O5 -","- C28 H48 Mn4 O20 -","4","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","0.71073","MoKα","","0.0961","0.0473","","","0.0757","0.0867","","","","","","1.019","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214223","9.2037","0.0003","7.9073","0.0002","29.7366","0.0013","90","","90","","90","","2164.12","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Mn O5 -","- C10 H10 Mn O5 -","- C80 H80 Mn8 O40 -","8","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","1.54184","CuKα","","0.05","0.0321","","","0.065","0.0718","","","","","","1.014","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214224","22.0703","0.0008","22.0703","0.0008","12.6143","0.0009","90","","90","","90","","6144.4","0.5","293","2","293","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- Ba18 F18 In8 S21 -","- Ba18 F18 In8 S21 -","- Ba72 F72 In32 S84 -","4","0.25","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","Ba18F18In8S21 and Ba9F10In4S10: new kind of mixed anion compounds with the novel low-dimensional structure","CrystEngComm","2014","16","13","2788","","10.1039/c3ce41954a","","","0.71073","MoKα","","0.0474","0.0443","","","0.1426","0.1454","","","","","","1.166","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214225","12.5686","0.0008","19.2822","0.0012","12.5835","0.0009","90","","90","","90","","3049.6","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba9 F10 In4 S10 -","- Ba9 F10 In4 S10 -","- Ba36 F40 In16 S40 -","4","0.5","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","Ba18F18In8S21 and Ba9F10In4S10: new kind of mixed anion compounds with the novel low-dimensional structure","CrystEngComm","2014","16","13","2788","","10.1039/c3ce41954a","","","0.71073","MoKα","","0.0586","0.0523","","","0.1418","0.1477","","","","","","1.049","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214226","7.6058","0.0006","10.2154","0.0007","12.2851","0.0012","102.799","0.005","97.934","0.005","98.974","0.005","904.52","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N14 O10 Zn5 -","- C36 H24 N14 O10 Zn5 -","- C36 H24 N14 O10 Zn5 -","1","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New Zn2+ coordination polymers with mixed triazolate/tetrazolate and acylhydrazidate as linkers","CrystEngComm","2014","16","13","2692","","10.1039/c3ce42426j","","","0.71073","MoKα","","0.0395","0.0373","","","0.1299","0.131","","","","","","1.183","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214227","13.7823","0.0007","9.7678","0.0007","20.5058","0.0017","90","","96.553","0.004","90","","2742.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N14 O6 Zn3 -","- C20 H18 N14 O6 Zn3 -","- C80 H72 N56 O24 Zn12 -","4","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New Zn2+ coordination polymers with mixed triazolate/tetrazolate and acylhydrazidate as linkers","CrystEngComm","2014","16","13","2692","","10.1039/c3ce42426j","","","0.71073","MoKα","","0.0332","0.0297","","","0.0793","0.0816","","","","","","1.05","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214228","12.354","0.003","12.473","0.003","10.449","0.002","90","","116.92","0.03","90","","1435.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N12 O2 Zn2 -","- C10 H8 N12 O2 Zn2 -","- C40 H32 N48 O8 Zn8 -","4","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New Zn2+ coordination polymers with mixed triazolate/tetrazolate and acylhydrazidate as linkers","CrystEngComm","2014","16","13","2692","","10.1039/c3ce42426j","","","0.71073","MoKα","","0.0227","0.0209","","","0.0534","0.0542","","","","","","1.07","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214229","18.923","0.004","11.121","0.002","15.759","0.003","90","","102.62","0.03","90","","3236.2","1.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H18 N16 O10 Zn5 -","- C22 H18 N16 O10 Zn5 -","- C88 H72 N64 O40 Zn20 -","4","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New Zn2+ coordination polymers with mixed triazolate/tetrazolate and acylhydrazidate as linkers","CrystEngComm","2014","16","13","2692","","10.1039/c3ce42426j","","","0.71073","MoKα","","0.0505","0.0431","","","0.107","0.1105","","","","","","1.077","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214230","9.9688","0.0005","12.4158","0.0006","17.4099","0.001","86.1612","0.0015","79.7348","0.0018","80.1653","0.0015","2087.7","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 I4 O4 S4 -","- C36 H36 I4 O4 S4 -","- C72 H72 I8 O8 S8 -","2","1","","Yamada, Manabu; Kanazawa, Ryo; Hamada, Fumio","Halogen‒halogen interactions and halogen bonding in thiacalixarene systems","CrystEngComm","2014","16","13","2605","","10.1039/c3ce42535e","","","0.71075","MoKα","","","0.0287","","","","0.0788","","","","","","1.097","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214231","18.4313","0.0009","14.2656","0.0005","17.855","0.0006","90","","92.4043","0.001","90","","4690.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 I4 O5 S4 -","- C42 H48 I4 O5 S4 -","- C168 H192 I16 O20 S16 -","4","1","","Yamada, Manabu; Kanazawa, Ryo; Hamada, Fumio","Halogen‒halogen interactions and halogen bonding in thiacalixarene systems","CrystEngComm","2014","16","13","2605","","10.1039/c3ce42535e","","","0.71075","MoKα","","","0.0351","","","","0.086","","","","","","1.036","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214232","6.4633","0.0015","17.072","0.004","23.816","0.006","90","","90.602","0.003","90","","2627.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Eu N3 O9 -","- C23 H28 Eu N3 O9 -","- C92 H112 Eu4 N12 O36 -","4","1","","Liu, Xiaolan; Wang, Xin; Gao, Ting; Xu, Yan; Shen, Xuan; Zhu, Dunru","Three 3D lanthanide‒organic frameworks with sra topology: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2014","16","13","2779","","10.1039/c3ce42553c","","","0.71073","MoKα","","0.0721","0.052","","","0.1269","0.1345","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214233","6.4399","0.0007","17.023","0.002","23.833","0.003","90","","90.792","0.002","90","","2612.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Gd N3 O9 -","- C23 H28 Gd N3 O9 -","- C92 H112 Gd4 N12 O36 -","4","1","","Liu, Xiaolan; Wang, Xin; Gao, Ting; Xu, Yan; Shen, Xuan; Zhu, Dunru","Three 3D lanthanide‒organic frameworks with sra topology: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2014","16","13","2779","","10.1039/c3ce42553c","","","0.71073","MoKα","","0.0925","0.0564","","","0.1395","0.1526","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214234","6.3462","0.0011","16.58","0.003","24.018","0.004","90","","90.683","0.002","90","","2527","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Dy N3 O9 -","- C23 H28 Dy N3 O9 -","- C92 H112 Dy4 N12 O36 -","4","1","","Liu, Xiaolan; Wang, Xin; Gao, Ting; Xu, Yan; Shen, Xuan; Zhu, Dunru","Three 3D lanthanide‒organic frameworks with sra topology: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2014","16","13","2779","","10.1039/c3ce42553c","","","0.71073","MoKα","","0.0714","0.0599","","","0.1512","0.1566","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214235","11.2908","0.0003","12.2293","0.0003","14.9933","0.0004","90","","91.389","0.002","90","","2069.65","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C96 H104 N8 O16 -","4","1","","Prado, Livia Deris; Rocha, Helvécio Vinícius Antunes; Resende, Jackson Antônio Lamounier Camargos; Ferreira, Glaucio Braga; de Figuereido Teixeira, Ana Maria Rangel","An insight into carvedilol solid forms: effect of supramolecular interactions on the dissolution profiles","CrystEngComm","2014","16","15","3168","","10.1039/c3ce42403k","","x-ray","0.71073","MoKα","","0.0502","0.0416","","","0.1022","0.1086","","","","","","1.052","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214236","13.477","0.003","16.515","0.003","19.139","0.004","90","","94.16","0.03","90","","4248.6","1.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 N4 O9 -","- C48 H54 N4 O9 -","- C192 H216 N16 O36 -","4","1","","Prado, Livia Deris; Rocha, Helvécio Vinícius Antunes; Resende, Jackson Antônio Lamounier Camargos; Ferreira, Glaucio Braga; de Figuereido Teixeira, Ana Maria Rangel","An insight into carvedilol solid forms: effect of supramolecular interactions on the dissolution profiles","CrystEngComm","2014","16","15","3168","","10.1039/c3ce42403k","","","0.71073","MoKα","","0.05","0.0399","","","0.1019","0.1066","","","","","","1.048","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214237","37.1672","0.0011","3.83724","0.0001","30.9227","0.0008","90","","130.277","0.0013","90","","3364.66","0.17","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N2 O2 S2 -","- C21 H14 N2 O2 S2 -","- C168 H112 N16 O16 S16 -","8","1","","Sakai, Ken-ichi; Kawamura, Hiroshi; Kobayashi, Noriyuki; Ishikawa, Takaaki; Ikeda, Chiori; Kikuchi, Takemitsu; Akutagawa, Tomoyuki","Highly efficient solid-state red fluorophores using ESIPT: crystal packing and fluorescence properties of alkoxy-substituted dibenzothiazolylphenols","CrystEngComm","2014","16","15","3180","","10.1039/c3ce42109k","","","1.54187","CuKα","","","0.107","","","","0.2371","","","","","","1.039","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214238","11.7301","0.0002","22.2883","0.0004","7.47946","0.0001","90","","100.438","","90","","1923.1","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 S2 -","- C23 H18 N2 O2 S2 -","- C92 H72 N8 O8 S8 -","4","1","","Sakai, Ken-ichi; Kawamura, Hiroshi; Kobayashi, Noriyuki; Ishikawa, Takaaki; Ikeda, Chiori; Kikuchi, Takemitsu; Akutagawa, Tomoyuki","Highly efficient solid-state red fluorophores using ESIPT: crystal packing and fluorescence properties of alkoxy-substituted dibenzothiazolylphenols","CrystEngComm","2014","16","15","3180","","10.1039/c3ce42109k","","","1.54187","CuKα","","","0.0731","","","","0.1563","","","","","","1.094","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214239","29.401","0.003","13.3519","0.0011","15.8465","0.0013","90","","90.878","0.002","90","","6220","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Cd3 N8 O12 -","- C46 H44 Cd3 N8 O12 -","- C184 H176 Cd12 N32 O48 -","4","0.5","","Shi, Jing-Tao; Yue, Ke-Fen; Liu, Bo; Zhou, Chun-sheng; Liu, Yong-Liang; Fang, Zhi-Guo; Wang, Yao-Yu","Two porous metal‒organic frameworks (MOFs) based on mixed ligands: synthesis, structure and selective gas adsorption","CrystEngComm","2014","16","15","3097","","10.1039/c3ce41557k","","","0.71073","MoKα","","0.0795","0.0642","","","0.1888","0.2003","","","","","","1.048","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214240","13.9345","0.0014","26.096","0.003","19.2265","0.0019","90","","90","","90","","6991.4","1.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C53 H40 Co3 N4 O12 -","- C53 H40 Co3 N4 O12 -","- C212 H160 Co12 N16 O48 -","4","0.5","","Shi, Jing-Tao; Yue, Ke-Fen; Liu, Bo; Zhou, Chun-sheng; Liu, Yong-Liang; Fang, Zhi-Guo; Wang, Yao-Yu","Two porous metal‒organic frameworks (MOFs) based on mixed ligands: synthesis, structure and selective gas adsorption","CrystEngComm","2014","16","15","3097","","10.1039/c3ce41557k","","","0.71073","MoKα","","0.118","0.0752","","","0.216","0.2365","","","","","","0.962","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214241","20.897","0.007","16.915","0.003","21.778","0.005","90","","106.437","0.011","90","","7383","3","108","2","108","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80.64 H69.28 Au2 Cl5.28 N2 O8 P4 -","- C80.642 H69.284 Au2 Cl5.284 N2 O8 P4 -","- C322.568 H277.136 Au8 Cl21.136 N8 O32 P16 -","4","0.5","","Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea","A stimuli-responsive double-stranded digold(i) helicate","CrystEngComm","2014","16","15","3192","","10.1039/c3ce42474j","","","0.71073","MoKα","","0.043","0.0384","","","0.097","0.0998","","","","","","1.036","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214242","28.247","0.005","18.297","0.004","18.992","0.004","90","","121.566","0.008","90","","8363","3","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82.69 H73.38 Au2 Cl9.38 N2 O8 P4 -","- C82.692 H73.384 Au2 Cl9.384 N2 O8 P4 -","- C330.768 H293.536 Au8 Cl37.536 N8 O32 P16 -","4","0.5","","Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea","A stimuli-responsive double-stranded digold(i) helicate","CrystEngComm","2014","16","15","3192","","10.1039/c3ce42474j","","","0.71073","MoKα","","0.0702","0.0403","","","0.0617","0.079","","","","","","0.718","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214243","11.7728","0.0001","33.8466","0.0003","18.4668","0.0002","90","","96.231","0.001","90","","7314.98","0.12","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79.9 H68.97 Au2 Cl3.8 N2 O8.59 P4 -","- C79.9 H68.974 Au2 Cl3.8 N2 O8.587 P4 -","- C319.6 H275.896 Au8 Cl15.2 N8 O34.348 P16 -","4","1","","Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea","A stimuli-responsive double-stranded digold(i) helicate","CrystEngComm","2014","16","15","3192","","10.1039/c3ce42474j","","","0.71073","MoKα","","0.0433","0.0375","","","0.0941","0.0971","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214244","21.374","0.005","16.82","0.005","22.25","0.005","90","","107.595","0.005","90","","7625","3","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80.26 H68.53 Au2 Cl4.53 N2 O8 P4 -","- C80.264 H68.528 Au2 Cl4.528 N2 O8 P4 -","- C321.056 H274.112 Au8 Cl18.112 N8 O32 P16 -","4","0.5","","Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea","A stimuli-responsive double-stranded digold(i) helicate","CrystEngComm","2014","16","15","3192","","10.1039/c3ce42474j","","","0.71073","MoKα","","0.0539","0.0393","","","0.0603","0.0687","","","","","","0.872","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214245","23.423","0.004","11.2363","0.0019","22.563","0.004","90","","90","","90","","5938.3","1.8","298","2","298","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C27 H29.5 N2 Ni O9.75 -","- C27 H28.5 N2 Ni O9.75 -","- C216 H228 N16 Ni8 O78 -","8","1","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.1228","0.0589","","","0.1516","0.1673","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214246","14.079","0.005","14.669","0.005","19.559","0.006","108.878","0.005","92.031","0.007","116.314","0.005","3349","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H56.58 Co2 N12 O14.29 S3 -","- C70 H52 Co2 N12 O14.29 S3 -","- C140 H104 Co4 N24 O28.58 S6 -","2","1","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.2876","0.0594","","","0.0645","0.0823","","","","","","0.64","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214247","9.6092","0.0009","10.695","0.0011","13.436","0.0014","70.763","0.002","87.595","0.002","72.381","0.002","1240","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 Co N2 O8 -","- C27 H26 Co N2 O8 -","- C54 H52 Co2 N4 O16 -","2","1","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.0702","0.0447","","","0.1104","0.1165","","","","","","0.956","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214248","13.0721","0.0008","8.1857","0.0004","21.867","0.003","90","","107.835","0.008","90","","2227.4","0.4","119.6","0.9","119.6","0.9","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Co2 N2 O12 -","- C48 H44 Co2 N2 O12 -","- C96 H88 Co4 N4 O24 -","2","0.5","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.1537","0.0747","","","0.1255","0.1658","","","","","","1.032","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214249","13.5187","0.0007","7.2436","0.0004","26.014","0.003","90","","90","","90","","2547.4","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N2 O4 -","- C15 H10 N2 O4 -","- C120 H80 N16 O32 -","8","1","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.1201","0.0779","","","0.1443","0.1613","","","","","","1.091","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214250","22.3598","0.0007","15.1429","0.0004","23.0395","0.0007","90","","110.657","0.004","90","","7299.5","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H24.5 N4 O9.25 Zn -","- C32 H22 N4 O8.5 Zn -","- C256 H176 N32 O68 Zn8 -","8","1","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.0744","0.0578","","","0.1737","0.1867","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214251","9.151","0.0003","12.4798","0.0004","12.9559","0.0003","107.884","0.002","90.393","0.002","95.349","0.002","1400.99","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Cl2 N8 O16 Zn2 -","- C60 H38 Cl2 N8 O16 Zn2 -","- C60 H38 Cl2 N8 O16 Zn2 -","1","0.5","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.0673","0.0426","","","0.1003","0.1332","","","","","","1.074","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214252","19.2567","0.0015","18.6939","0.0015","7.902","0.0006","90","","98.917","0.003","90","","2810.2","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H19 N4 O8.5 Zn -","- C30 H18 N4 O8.5 Zn -","- C120 H72 N16 O34 Zn4 -","4","0.5","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.0523","0.046","","","0.1316","0.1369","","","","","","1.186","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214253","15.146","0.003","13.695","0.003","6.9265","0.0014","90","","91.28","0.03","90","","1436.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cd Cl N2 O4 -","- C15 H9 Cd Cl N2 O4 -","- C60 H36 Cd4 Cl4 N8 O16 -","4","1","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.076","0.0621","","","0.1969","0.2167","","","","","","1.182","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214254","6.7987","0.0008","24.5045","0.0019","8.2871","0.001","90","","91.514","0.011","90","","1380.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cd N4 O10 -","- C30 H22 Cd N4 O10 -","- C60 H44 Cd2 N8 O20 -","2","0.5","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.0734","0.0595","","","0.0942","0.098","","","","","","1.33","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214255","3.694","0.004","8.184","0.009","23.62","0.03","90","","94.49","","90","","711.9","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cd Cl2 N10 O0 -","- C10 H10 Cd Cl2 N10 -","- C20 H20 Cd2 Cl4 N20 -","2","0.5","","Song, Yuna; Yin, Xinbo; Tu, Binbin; Pang, Qingqing; Li, Haiwei; Ren, Xiaoqian; Wang, Bo; Li, Qiaowei","Metal‒organic frameworks constructed from mixed infinite inorganic units and adenine","CrystEngComm","2014","16","15","3082","","10.1039/c3ce42556h","","","0.71073","MoKα","","0.2346","0.1511","","","0.4242","0.4467","","","","","","1.057","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214256","9.156","0.0012","12.1449","0.0016","14.1202","0.0019","90","","95.271","0.002","90","","1563.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cd3 N10 O10 -","- C22 H32 Cd3 N10 O10 -","- C44 H64 Cd6 N20 O20 -","2","0.5","","Song, Yuna; Yin, Xinbo; Tu, Binbin; Pang, Qingqing; Li, Haiwei; Ren, Xiaoqian; Wang, Bo; Li, Qiaowei","Metal‒organic frameworks constructed from mixed infinite inorganic units and adenine","CrystEngComm","2014","16","15","3082","","10.1039/c3ce42556h","","","0.71073","MoKα","","0.0467","0.0294","","","0.0726","0.0817","","","","","","0.487","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214257","14.857","0.005","23.615","0.009","3.7317","0.0013","90","","90","","90","","1309.3","0.8","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C10 H8 Cd4 Cl7 N10 -","- C10 H8 Cd4 Cl7 N10 -","- C20 H16 Cd8 Cl14 N20 -","2","0.25","","Song, Yuna; Yin, Xinbo; Tu, Binbin; Pang, Qingqing; Li, Haiwei; Ren, Xiaoqian; Wang, Bo; Li, Qiaowei","Metal‒organic frameworks constructed from mixed infinite inorganic units and adenine","CrystEngComm","2014","16","15","3082","","10.1039/c3ce42556h","","","0.71073","MoKα","","0.1518","0.0918","","","0.2457","0.2693","","","","","","0.854","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214258","13.4907","0.0014","13.505","0.0014","13.7924","0.0014","102.084","0.002","97.561","0.002","116.001","0.002","2136","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H76 N20 Ni3 O18 -","- C90 H76 N20 Ni3 O18 -","- C90 H76 N20 Ni3 O18 -","1","0.5","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0582","0.0464","","","0.1283","0.1381","","","","","","1.003","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214259","12.337","0.002","11.051","0.002","21.819","0.004","90","","100.761","0.004","90","","2922.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Co2 N4 O8 -","- C29 H24 Co2 N4 O8 -","- C116 H96 Co8 N16 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0811","0.047","","","0.0971","0.1138","","","","","","1.001","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214260","8.9151","0.001","12.3303","0.0013","13.3052","0.0014","108.564","0.002","107.76","0.002","99.002","0.002","1267.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N4 O7 Zn -","- C29 H22 N4 O7 Zn -","- C58 H44 N8 O14 Zn2 -","2","1","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0574","0.045","","","0.1228","0.1378","","","","","","0.997","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214261","11.7332","0.0004","15.2259","0.0006","16.1433","0.0006","90","","102.497","0.001","90","","2815.65","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H49 Co2 N8 O14 -","- C67 H49 Co2 N8 O14 -","- C134 H98 Co4 N16 O28 -","2","1","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0519","0.0452","","","0.1183","0.1237","","","","","","1.002","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214262","12.15","0.003","13.422","0.003","17.825","0.004","77.205","0.004","70.985","0.004","83.344","0.004","2677","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H88 Mn5 N20 O22 S2 -","- C120 H88 Mn5 N20 O22 S2 -","- C120 H88 Mn5 N20 O22 S2 -","1","0.5","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.1185","0.069","","","0.1102","0.1581","","","","","","1","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214263","38.1168","0.0009","38.1168","0.0009","11.6852","0.0003","90","","90","","120","","14702.8","0.6","123","2","123","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C171 H154 Br12 Cl12 N18 O13 Zn6 -","- C171 H137.94 Br12 Cl12.06 N18 O12.96 Zn6 -","- C513 H413.82 Br36 Cl36.18 N54 O38.88 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","0.71073","MoKα","","0.0454","0.0333","","","0.0902","0.102","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214264","38.975","0.002","38.975","0.002","11.4827","0.0008","90","","90","","120","","15105.9","1.5","123","2","123","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C189 H159 Br12 Cl9 N18 O15 Zn6 -","- C189 H129 Br12 Cl9 N18 O15 Zn6 -","- C567 H387 Br36 Cl27 N54 O45 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","0.71073","MoKα","","0.0703","0.0425","","","0.1267","0.1717","","","","","","1.111","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214265","38.4322","0.0016","38.4322","0.0016","22.545","0.001","90","","90","","120","","28838","2","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C438 H308 Cl24 N36 O22 Zn12 -","- C437.94 H275.76 Cl24 N36 O21.9 Zn12 -","- C1313.82 H827.28 Cl72 N108 O65.7 Zn36 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","0.71073","MoKα","","0.086","0.0638","","","0.1735","0.2072","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214266","37.998","0.004","37.998","0.004","11.3178","0.0011","90","","90","","120","","14152","3","123","2","123","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C168 H111 Cl21 F30 N18 O9 Zn6 -","- C168 H99 Cl21 F30 N18 O9 Zn6 -","- C504 H297 Cl63 F90 N54 O27 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","1.54178","CuKα","","0.0626","0.0613","","","0.181","0.1826","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214267","9.2722","0.0004","35.4234","0.0015","30.2123","0.0012","90","","95.305","0.002","90","","9880.8","0.7","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C162 H84 Cl12 F30 N18 Zn6 -","- C162 H84 Cl12 F30 N18 Zn6 -","- C324 H168 Cl24 F60 N36 Zn12 -","2","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","1.54178","CuKα","","0.124","0.1069","","","0.3013","0.3169","","","","","","1.089","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214268","38.394","0.004","38.394","0.004","11.5576","0.0015","90","","90","","120","","14755","3","123","2","123","2","","","","","","","","6","R -3","-R 3","148","","","","- C162 H84 Br12 F30 N18 Zn6 -","- C162 H84 Br12 F30 N18 Zn6 -","- C486 H252 Br36 F90 N54 Zn18 -","3","","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","1.54178","CuKα","","0.1008","0.0769","","","0.1903","0.2024","","","","","","1.116","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214269","8.2122","0.0007","9.0548","0.0005","11.4228","0.0007","93.672","0.005","110.255","0.007","108.406","0.006","741.63","0.1","148","2","148","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0568","0.0435","","","0.1032","0.1123","","","","","","1.027","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214270","8.2145","0.0007","9.0601","0.0006","11.4225","0.0008","93.69","0.006","110.215","0.007","108.361","0.007","742.68","0.11","178","2","178","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0615","0.045","","","0.1076","0.1174","","","","","","1.052","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214271","8.2268","0.0007","9.0703","0.0006","11.4426","0.0008","93.691","0.005","110.218","0.007","108.335","0.006","746.06","0.11","208","2","208","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0645","0.0461","","","0.1105","0.1221","","","","","","1.032","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214272","8.2384","0.0008","9.095","0.0006","11.46","0.0008","93.7","0.006","110.161","0.008","108.267","0.007","750.96","0.12","238","2","238","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0709","0.0483","","","0.1131","0.1282","","","","","","1.023","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214273","8.2565","0.0008","9.1147","0.0006","11.4695","0.0008","93.722","0.005","110.153","0.008","108.221","0.007","755.1","0.12","268","2","268","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0746","0.0488","","","0.1156","0.1322","","","","","","1.031","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214274","8.2504","0.0009","9.1159","0.0007","11.4622","0.0009","93.8","0.007","110.087","0.009","108.151","0.009","754.71","0.14","298","2","298","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0799","0.0516","","","0.1228","0.142","","","","","","1.042","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214275","17.967","0.0012","7.9756","0.0006","14.0251","0.0008","90","","133.571","0.004","90","","1456.12","0.19","148","2","148","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.0616","0.0426","","","0.1009","0.1115","","","","","","1.041","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214276","17.9037","0.0014","8.0121","0.0008","14.0696","0.0009","90","","133.44","0.004","90","","1465.4","0.2","178","2","178","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.0755","0.0497","","","0.1302","0.1451","","","","","","1.051","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214277","17.8536","0.0016","8.07","0.0006","14.1329","0.0011","90","","133.271","0.005","90","","1482.6","0.2","208","2","208","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.0859","0.053","","","0.1222","0.1393","","","","","","1.035","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214278","17.7463","0.0014","8.093","0.0007","14.1825","0.0009","90","","133.117","0.004","90","","1486.9","0.2","238","2","238","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.1075","0.0584","","","0.1361","0.1662","","","","","","1.021","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214279","17.6512","0.0018","8.1468","0.0005","14.2338","0.001","90","","132.931","0.006","90","","1498.6","0.3","268","2","268","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.111","0.0544","","","0.1109","0.1361","","","","","","1.014","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214280","17.5602","0.0017","8.1816","0.0006","14.282","0.001","90","","132.8","0.005","90","","1505.5","0.2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.1104","0.0563","","","0.1335","0.1663","","","","","","1.019","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214281","17.416","0.004","11.358","0.002","13.74","0.003","90","","92.41","0.03","90","","2715.5","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Di-ethylammonium-1,1'-binaphthyl-2,2'-dicarboxylate","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C120 H144 N8 O16 -","4","0.5","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0508","0.0401","","","0.0969","0.1041","","","","","","1.036","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214282","9.5427","0.0019","12.417","0.003","15.396","0.003","81.62","0.03","79.45","0.03","75.37","0.03","1725.8","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Di-n-butylammonium-1,1'-binaphthyl-2,2'-dicarboxylate","","- C38 H52 N2 O4 -","- C38 H52 N2 O4 -","- C76 H104 N4 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0661","0.0449","","","0.1107","0.124","","","","","","1.042","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214283","11.8142","0.0013","12.3251","0.0014","13.3363","0.0015","64.614","0.002","86.613","0.002","83.622","0.002","1743.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Di-n-butylammonium-1,1'-binaphthyl-2,2'-dicarboxylate","","- C38 H52 N2 O4 -","- C38 H52 N2 O4 -","- C76 H104 N4 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0864","0.0499","","","0.1206","0.1395","","","","","","1.012","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214284","14.254","0.003","14.9","0.003","15.067","0.003","100.82","0.03","117.76","0.03","104.12","0.03","2571.3","1.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H81 N5 O7 -","- C53 H81 N5 O7 -","- C106 H162 N10 O14 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0787","0.0605","","","0.1684","0.1829","","","","","","1.037","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214285","13.97","0.003","19.964","0.004","15.127","0.003","90","","97.88","0.03","90","","4179","1.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dicyclohexylammonium-1,1'-binaphthyl-2,2'-dicarboxylate methanol hydrate","","- C47 H66 N2 O6 -","- C47 H66 N2 O6 -","- C188 H264 N8 O24 -","4","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0731","0.044","","","0.1108","0.1259","","","","","","1.028","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214286","11.2481","0.0012","13.1877","0.0014","18.235","0.002","90","","105.738","0.002","90","","2603.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15.1 H33.38 Al4 Na3 O15.1 -","- C15.095 H33.38 Al4 Na3 O15.095 -","- C60.38 H133.52 Al16 Na12 O60.38 -","4","1","","Li, Xiansen; Michaelis, Vladimir K.; Ong, Ta-Chung; Smith, Stacey J.; McKay, Ian; Müller, Peter; Griffin, Robert G.; Wang, Evelyn N.","One-pot Solvothermal Synthesis of Well-ordered Layered Sodium Aluminoalcoholate Complex: A Useful Precursor for the Preparation of Porous Al2O3 Particles.","CrystEngComm / RSC","2014","16","14","2950","2958","10.1039/C3CE42616E","","","0.71073","MoKα","","0.0633","0.0405","","","0.0994","0.111","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214287","7.114","0.005","17.602","0.013","8.188","0.006","90","","110.666","0.012","90","","959.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Br N2 O2 -","- C7 H11 Br N2 O2 -","- C28 H44 Br4 N8 O8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0642","0.0436","","","0.1042","0.1134","","","","","","1.009","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214288","7.092","0.002","11.93","0.003","14.419","0.004","90","","109.603","0.012","90","","1149.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 F6 N2 O2 P -","- C7 H11 F6 N2 O2 P -","- C28 H44 F24 N8 O8 P4 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0672","0.0412","","","0.0869","0.0992","","","","","","1.007","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214289","8.264","0.005","15.703","0.01","21.517","0.011","90","","111.29","0.019","90","","2602","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 F6 N2 O2 P -","- C8 H13 F6 N2 O2 P -","- C64 H104 F48 N16 O16 P8 -","8","2","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.2021","0.1652","","","0.3331","0.3456","","","","","","1.088","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214290","9.898","0.005","16.937","0.008","12.581","0.005","90","","127.51","0.03","90","","1673","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 F6 N3 O6 S2 -","- C9 H11 F6 N3 O6 S2 -","- C36 H44 F24 N12 O24 S8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0579","0.0447","","","0.106","0.1143","","","","","","1.004","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214291","7.836","0.003","4.821","0.0018","28.599","0.011","90","","100.732","0.01","90","","1061.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Br N2 O2 -","- C8 H13 Br N2 O2 -","- C32 H52 Br4 N8 O8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0425","0.0336","","","0.0838","0.088","","","","","","1.017","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214292","13.445","0.006","6.382","0.003","9.727","0.005","90","","90","","90","","834.6","0.7","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H9 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C24 H36 Cl4 N8 O8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0348","0.0287","","","0.068","0.0713","","","","","","1.012","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214293","15.4579","0.0016","19.1439","0.0017","17.109","0.001","90","","105.241","0.006","90","","4884.9","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H58 O29 U4 -","- C30 H51 O29 U4 -","- C120 H204 O116 U16 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.1108","0.0714","","","0.1705","0.1863","","","","","","1.022","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214294","21.3657","0.0007","21.3657","0.0007","38.4108","0.0014","90","","90","","120","","15185.1","0.9","150","2","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C120 H194 K8 O77 U8 -","- C120 H168 K8.01 O77 U8 -","- C360 H504 K24.03 O231 U24 -","3","0.333333","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.0961","0.063","","","0.1569","0.1692","","","","","","1.052","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214295","9.2051","0.0002","19.3999","0.0003","10.3663","0.0002","90","","97.9411","0.0007","90","","1833.44","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N O7 U -","- C15 H23 N O7 U -","- C60 H92 N4 O28 U4 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.0408","0.0379","","","0.0992","0.1009","","","","","","1.039","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214296","19.5109","0.0015","18.82","0.001","13.9091","0.0011","90","","109.813","0.004","90","","4805","0.6","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C40 H60 Cu N2 O18 U2 -","- C40 H60 Cu N2 O18 U2 -","- C160 H240 Cu4 N8 O72 U8 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.1013","0.0678","","","0.1787","0.1941","","","","","","1.039","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214297","7.3053","0.0007","17.5056","0.0014","12.6731","0.0012","90","","90","","90","","1620.7","0.3","143","1","143","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H17 O5 S Zn -","- C19 H17 O5 S Zn -","- C76 H68 O20 S4 Zn4 -","4","0.5","","Kojtari, Arben; Carroll, Patrick J.; Ji, Hai-Feng","Metal organic framework (MOF) micro/nanopillars","CrystEngComm","2014","16","14","2885","","10.1039/c4ce00172a","","","0.71073","MoKα","","0.0578","0.0366","","","0.0894","0.0996","","","","","","1.09","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214298","6.7778","0.0007","18.8206","0.0018","8.5384","0.0008","90","","92.471","0.004","90","","1088.16","0.18","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cu O9 -","- C9 H10 Cu O9 -","- C36 H40 Cu4 O36 -","4","1","","Kojtari, Arben; Carroll, Patrick J.; Ji, Hai-Feng","Metal organic framework (MOF) micro/nanopillars","CrystEngComm","2014","16","14","2885","","10.1039/c4ce00172a","","","0.71073","MoKα","","0.0196","0.0194","","","0.0526","0.0526","","","","","","1.112","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214299","22.463","0.004","10.3101","0.0019","17.114","0.003","90","","90.427","0.002","90","","3963.4","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N10 O4 Zn -","- C42 H40 Cu2 N10 O4 Zn -","- C168 H160 Cu8 N40 O16 Zn4 -","4","0.5","","Das, Lakshmi Kanta; Kirillov, Alexander M.; Ghosh, Ashutosh","Discrete 0D and polymeric 2D and 3D derivatives assembled from [(CuL)2Zn]2+ and dicyanamide blocks (H2L = salen type Schiff bases): Genuine supramolecular isomers with distinct topologies","CrystEngComm","2014","16","14","3029","","10.1039/c3ce42027b","","","0.71073","MoKα","","0.052","0.0328","","","0.0724","0.0803","","","","","","1.017","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214300","16.3579","0.0015","10.7877","0.001","21.928","0.002","90","","107.132","0.001","90","","3697.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cu2 N10 O4 Zn -","- C38 H32 Cu2 N10 O4 Zn -","- C152 H128 Cu8 N40 O16 Zn4 -","4","1","","Das, Lakshmi Kanta; Kirillov, Alexander M.; Ghosh, Ashutosh","Discrete 0D and polymeric 2D and 3D derivatives assembled from [(CuL)2Zn]2+ and dicyanamide blocks (H2L = salen type Schiff bases): Genuine supramolecular isomers with distinct topologies","CrystEngComm","2014","16","14","3029","","10.1039/c3ce42027b","","","0.71073","MoKα","","0.0737","0.0379","","","0.0699","0.0814","","","","","","1.008","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214301","11.44","0.002","11.44","0.002","24.485","0.004","90","","90","","120","","2775.1","0.8","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C38 H32 Cu2 N10 O4 Zn -","- C38 H32 Cu2 N10 O4 Zn -","- C114 H96 Cu6 N30 O12 Zn3 -","3","0.5","","Das, Lakshmi Kanta; Kirillov, Alexander M.; Ghosh, Ashutosh","Discrete 0D and polymeric 2D and 3D derivatives assembled from [(CuL)2Zn]2+ and dicyanamide blocks (H2L = salen type Schiff bases): Genuine supramolecular isomers with distinct topologies","CrystEngComm","2014","16","14","3029","","10.1039/c3ce42027b","","","0.71073","MoKα","","0.0484","0.0368","","","0.0832","0.0911","","","","","","0.945","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214302","13.585","0.004","12.926","0.004","16.012","0.005","90","","90","","90","","2811.7","1.5","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 Cl3 N2 O8 -","- C7 H15 Cl3 N2 O8 -","- C56 H120 Cl24 N16 O64 -","8","1","","Chen, Li-Zhuang; Huang, Deng-Deng; Ge, Jia-Zhen; Wang, Fang-Ming","Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)","CrystEngComm","2014","16","14","2944","","10.1039/c3ce42190b","","","0.71073","MoKα","","0.077","0.069","","","0.1744","0.1833","","","","","","0.956","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214303","12.659","0.004","16.121","0.005","13.197","0.004","90","","91.231","0.004","90","","2692.6","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl3 N2 O8 -","- C7 H15 Cl3 N2 O8 -","- C56 H120 Cl24 N16 O64 -","8","2","","Chen, Li-Zhuang; Huang, Deng-Deng; Ge, Jia-Zhen; Wang, Fang-Ming","Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)","CrystEngComm","2014","16","14","2944","","10.1039/c3ce42190b","","","0.71073","MoKα","","0.0969","0.0883","","","0.2124","0.2178","","","","","","1.061","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214304","13.3098","0.0012","12.7949","0.0012","16.0119","0.0015","90","","90","","90","","2726.8","0.4","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 Cl3 N2 O8 -","- C7 H15 Cl3 N2 O8 -","- C56 H120 Cl24 N16 O64 -","8","1","","Chen, Li-Zhuang; Huang, Deng-Deng; Ge, Jia-Zhen; Wang, Fang-Ming","Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)","CrystEngComm","2014","16","14","2944","","10.1039/c3ce42190b","","","0.71073","MoKα","","0.0615","0.056","","","0.1493","0.1537","","","","","","1.243","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214305","9.7003","0.0003","10.0807","0.0004","26.1807","0.001","88.397","0.002","82.073","0.001","69.855","0.001","2379.99","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H86 Mo N2 O10 -","- C40 H86 Mo N2 O10 -","- C80 H172 Mo2 N4 O20 -","2","1","","Chakravarthy, Rajan Deepan; Ramkumar, Venkatachalam; Chand, Dillip Kumar","A molybdenum based metallomicellar catalyst for controlled and selective sulfoxidation reactions in aqueous medium","Green Chemistry","2014","16","4","2190","","10.1039/c3gc42245c","","","0.71073","MoKα","","0.0551","0.0396","","","0.1233","0.1433","","","","","","1.046","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214306","10.7382","0.0003","10.2853","0.0003","11.9959","0.0003","90","","114.837","0.001","90","","1202.35","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N2 O S2 -","- C10 H16 N2 O S2 -","- C40 H64 N8 O4 S8 -","4","1","","Wang, Yan-Bo; Sun, Dong-Sheng; Zhou, Hui; Zhang, Wen-Zhen; Lu, Xiao-Bing","Alkoxide-functionalized imidazolium betaines for CO2 activation and catalytic transformation","Green Chemistry","2014","16","4","2266","","10.1039/c3gc42346h","","","0.71073","MoKα","","0.0384","0.0345","","","0.0969","0.1","","","","","","1.051","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214307","7.0242","0.0004","15.4761","0.0009","11.2508","0.0007","90","","92.082","0.001","90","","1222.24","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N2 O S2 -","- C10 H16 N2 O S2 -","- C40 H64 N8 O4 S8 -","4","1","","Wang, Yan-Bo; Sun, Dong-Sheng; Zhou, Hui; Zhang, Wen-Zhen; Lu, Xiao-Bing","Alkoxide-functionalized imidazolium betaines for CO2 activation and catalytic transformation","Green Chemistry","2014","16","4","2266","","10.1039/c3gc42346h","","","0.71073","MoKα","","0.1003","0.0518","","","0.1151","0.134","","","","","","1.028","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214308","12.1669","0.0007","12.065","0.0007","19.2806","0.0011","90","","90","","90","","2830.3","0.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H19 N2 O5 -","- C10 H19 N2 O4.5 -","- C80 H152 N16 O36 -","8","1","","Wang, Yan-Bo; Sun, Dong-Sheng; Zhou, Hui; Zhang, Wen-Zhen; Lu, Xiao-Bing","Alkoxide-functionalized imidazolium betaines for CO2 activation and catalytic transformation","Green Chemistry","2014","16","4","2266","","10.1039/c3gc42346h","","","0.71073","MoKα","","0.1244","0.108","","","0.3651","0.4047","","","","","","0.933","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214309","22.439","0.005","5.3555","0.0011","13.393","0.003","90","","90","","90","","1609.5","0.6","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H15 N O -","- C23 H15 N O -","- C92 H60 N4 O4 -","4","1","","Rao, Yin; Li, Zhexian; Yin, Guodong","Clean and efficient assembly of functionalized benzofuro[2,3-c]pyridines via metal-free one-pot domino reactions","Green Chemistry","2014","16","4","2213","","10.1039/c3gc42234h","","","0.71073","MoKα","","0.076","0.0469","","","0.114","0.1293","","","","","","1.037","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214310","8","0.0001","13.5322","0.0002","19.2803","0.0003","90","","92.183","0.001","90","","2085.72","0.05","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Cl2 Co2 N10 O11 -","- C32 H52 Cl2 Co2 N10 O11 -","- C64 H104 Cl4 Co4 N20 O22 -","2","0.5","","Wakerley, David W.; Reisner, Erwin","Development and understanding of cobaloxime activity through electrochemical molecular catalyst screening.","Physical chemistry chemical physics : PCCP","2014","16","12","5739","5746","10.1039/c4cp00453a","","","0.71073","MoKα","","0.0584","0.0387","","","0.113","0.1164","","","","","","1.03","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214311","5.8059","0.0002","19.4214","0.0008","13.5907","0.0006","90","","96.284","0.002","90","","1523.26","0.11","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 Br3 N3 O2 -","- C11 H16 Br3 N3 O2 -","- C44 H64 Br12 N12 O8 -","4","1","","Rosokha, Sergiy V.; Vinakos, Michael K.","Halogen bond-assisted electron transfer reactions of aliphatic bromosubstituted electrophiles.","Physical chemistry chemical physics : PCCP","2014","16","5","1809","1813","10.1039/c3cp54004a","","","0.71073","MoKα","","0.032","0.024","","","0.0547","0.0577","","","","","","1.037","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214312","39.4134","0.0004","39.4134","0.0004","10.4024","0.0002","90","","90","","120","","13994.3","0.3","93","2","93","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H30 N2 O8 -","- C32 H30 N2 O8 -","- C576 H540 N36 O144 -","18","1","","Gruber, Tobias; Eißmann, Frank; Gruner, Margit; Heinz, Luisa G.; Seichter, Wilhelm; Weber, Edwin","Simple dinitro substituted calix[4]arene forming a honeycomb-like architecture with hydrophobic channels","CrystEngComm","2014","16","18","3730","","10.1039/c3ce41819g","","","0.71073","MoKα","","0.0666","0.0496","","","0.1357","0.1517","","","","","","0.995","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214313","39.3244","0.0003","39.3244","0.0003","10.4186","0.0002","90","","90","","120","","13952.9","0.3","103","2","103","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H32 N2 O8.34 -","- C33 H30 N2 O8.34 -","- C594 H540 N36 O150.12 -","18","1","","Gruber, Tobias; Eißmann, Frank; Gruner, Margit; Heinz, Luisa G.; Seichter, Wilhelm; Weber, Edwin","Simple dinitro substituted calix[4]arene forming a honeycomb-like architecture with hydrophobic channels","CrystEngComm","2014","16","18","3730","","10.1039/c3ce41819g","","","0.71073","MoKα","","0.093","0.0531","","","0.1258","0.1462","","","","","","1.041","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214314","16.1514","0.0005","16.4165","0.0005","24.4814","0.0008","90","","90","","90","","6491.2","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H31 Cl3 N2 O8 -","- C33 H31 Cl3 N2 O8 -","- C264 H248 Cl24 N16 O64 -","8","1","","Gruber, Tobias; Eißmann, Frank; Gruner, Margit; Heinz, Luisa G.; Seichter, Wilhelm; Weber, Edwin","Simple dinitro substituted calix[4]arene forming a honeycomb-like architecture with hydrophobic channels","CrystEngComm","2014","16","18","3730","","10.1039/c3ce41819g","","","0.71073","MoKα","","0.0837","0.0678","","","0.196","0.215","","","","","","1.284","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214315","14.8361","0.0005","36.0691","0.0012","23.6851","0.0009","90","","101.903","0.001","90","","12402","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H95 Ce3 N5 O89 S8 -","- C84 H95 Ce3 N5 O89 S8 -","- C336 H380 Ce12 N20 O356 S32 -","4","1","","Husain, Ahmad; Oliver, Clive L.","A C-shaped p-sulfonatocalix[4]arene-based supermolecule exhibiting mutual-inclusion and bilayer insertion of dipicolinate","CrystEngComm","2014","16","18","3749","","10.1039/c3ce42358a","","","0.71073","MoKα","","0.0689","0.0496","","","0.1181","0.1282","","","","","","1.028","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214316","14.6699","0.0008","13.9019","0.0008","27.0087","0.0015","90","","102.838","0.003","90","","5370.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H67 Cl4 N5 O4 -","- C51 H55 Cl4 N5 O4 -","- C204 H220 Cl16 N20 O16 -","4","1","","Engle, Jeffrey M.; Singh, Pushpinder S.; Vonnegut, Chris L.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Synthesis and solid-state structures of a macrocyclic receptor based on the 2,6-bis(2-anilinoethynyl)pyridine scaffold","CrystEngComm","2014","16","18","3703","","10.1039/c3ce42307g","","","1.54178","CuKα","","0.1023","0.0891","","","0.2627","0.2771","","","","","","1.059","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214317","24.0752","0.0018","9.9609","0.0007","45.509","0.003","90","","90","","90","","10913.5","1.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C53 H62 N5 O5 -","- C50 H55 N5 O5 -","- C400 H440 N40 O40 -","8","1","","Engle, Jeffrey M.; Singh, Pushpinder S.; Vonnegut, Chris L.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Synthesis and solid-state structures of a macrocyclic receptor based on the 2,6-bis(2-anilinoethynyl)pyridine scaffold","CrystEngComm","2014","16","18","3703","","10.1039/c3ce42307g","","","0.71073","MoKα","","0.1058","0.0636","","","0.1759","0.2","","","","","","1.01","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214318","10.899","0.003","10.055","0.003","27.255","0.007","90","","90","","90","","2986.9","1.4","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N4 O4 -","- C36 H36 N4 O4 -","- C144 H144 N16 O16 -","4","0.5","","Tedesco, Consiglia; Erra, Loredana; Izzo, Irene; De Riccardis, Francesco","Solid state assembly of cyclic α-peptoids","CrystEngComm","2014","16","18","3667","","10.1039/c3ce42456a","","","1.54178","CuKα","","0.073","0.0586","","","0.172","0.2208","","","","","","1.029","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214319","11.612","0.0002","14.5363","0.0002","27.401","0.0004","90","","101.019","0.0014","90","","4539.9","0.12","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H74 N2 O9 -","- C49 H74 N2 O9 -","- C196 H296 N8 O36 -","4","1","","Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari","Deprotonation of resorcinarenes by mono- and diamine bases: complexation and intermolecular interactions in the solid state","CrystEngComm","2014","16","18","3758","","10.1039/c3ce42291g","","","1.54184","CuKα","","0.0451","0.0383","","","0.098","0.1033","","","","","","1.03","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214320","11.0544","0.0005","11.9545","0.0005","17.4371","0.0009","109.915","0.004","100.321","0.004","97.585","0.004","2084.53","0.19","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H61 N3 O8 -","- C45 H61 N3 O8 -","- C90 H122 N6 O16 -","2","1","","Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari","Deprotonation of resorcinarenes by mono- and diamine bases: complexation and intermolecular interactions in the solid state","CrystEngComm","2014","16","18","3758","","10.1039/c3ce42291g","","","1.54184","CuKα","","0.066","0.0502","","","0.1449","0.1581","","","","","","1.05","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214321","11.7076","0.0005","14.7176","0.0006","15.4943","0.0006","107.092","0.002","94.407","0.002","110.946","0.002","2333.23","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H73 N3 O9 -","- C50 H73 N3 O9 -","- C100 H146 N6 O18 -","2","1","","Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari","Deprotonation of resorcinarenes by mono- and diamine bases: complexation and intermolecular interactions in the solid state","CrystEngComm","2014","16","18","3758","","10.1039/c3ce42291g","","","0.71073","MoKα","","0.1043","0.0707","","","0.1485","0.166","","","","","","1.091","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214322","8.1302","0.0002","11.0677","0.0004","17.3238","0.0007","90","","95.2468","0.0012","90","","1552.31","0.09","150","","150","","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Br2 Cl2 N4 O2 -","- C28 H36 Br2 Cl2 N4 O2 -","- C56 H72 Br4 Cl4 N8 O4 -","2","0.5","","White, Nicholas G.; Caballero, Antonio; Beer, Paul D.","Observation of strong halogen bonds in the solid state structures of bis-haloimidazolium macrocycles","CrystEngComm","2014","16","18","3722","","10.1039/c3ce41944d","","","0.71073","MoKα","","0.047","0.0379","","0.0863","0.0809","0.0863","","","","","","0.9195","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214323","8.709","0.0001","8.9799","0.0001","26.0376","0.0003","89.5146","0.0004","84.863","0.0004","85.5213","0.0005","2021.92","0.04","150","","150","","","","","","","","synthesized","7","P -1","-P 1","2","","","","- C32 H46 Br2 I2 N4 O3 S3 -","- C32 H46 Br2 I2 N4 O3 S3 -","- C64 H92 Br4 I4 N8 O6 S6 -","2","1","","White, Nicholas G.; Caballero, Antonio; Beer, Paul D.","Observation of strong halogen bonds in the solid state structures of bis-haloimidazolium macrocycles","CrystEngComm","2014","16","18","3722","","10.1039/c3ce41944d","","","0.71073","MoKα","","0.0529","0.0427","","0.1121","0.1023","0.1121","","","","","","0.9631","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214324","8.7552","0.0002","9.1778","0.0002","19.3962","0.0005","100.835","0.001","95.9931","0.001","95.4914","0.0011","1511.75","0.06","150","","150","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C26 H31 Br2 N6 O7.5 -","- C26 H31 Br2 N6 O7.5 -","- C52 H62 Br4 N12 O15 -","2","1","","White, Nicholas G.; Caballero, Antonio; Beer, Paul D.","Observation of strong halogen bonds in the solid state structures of bis-haloimidazolium macrocycles","CrystEngComm","2014","16","18","3722","","10.1039/c3ce41944d","","","0.71073","MoKα","","0.0994","0.0658","","0.2173","0.1669","0.2173","","","","","","0.9691","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214325","27.1683","0.0011","15.3846","0.0005","19.2713","0.0009","90","","98.162","0.002","90","","7973.3","0.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H72 Br2 Cd Cl12 N4 O4 S4 -","- C68 H70 Br2 Cd Cl12 N4 O4 S4 -","- C272 H280 Br8 Cd4 Cl48 N16 O16 S16 -","4","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.1103","0.0811","","","0.2313","0.2548","","","","","","1.051","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214326","13.9112","0.0002","14.48","0.0003","20.85","0.0004","74.732","0.001","82.404","0.001","66.777","0.001","3721.48","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H70 Br2 Cd Cl6 N4 S8 -","- C66 H70 Br2 Cd Cl6 N4 S8 -","- C132 H140 Br4 Cd2 Cl12 N8 S16 -","2","1","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.0847","0.0432","","","0.1015","0.1181","","","","","","1.004","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214327","28.197","0.0008","15.6401","0.0004","15.4989","0.0004","90","","100.242","0.002","90","","6726.2","0.3","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C130 H146 Br2 Co N8 O3 S16 -","- C130 H144 Br2 Co N8 O3 S16 -","- C260 H288 Br4 Co2 N16 O6 S32 -","2","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.1023","0.0604","","","0.1504","0.1736","","","","","","1.033","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214328","11.4791","0.0004","14.2338","0.0004","21.6211","0.0005","87.817","0.001","81.183","0.001","66.381","0.001","3197.45","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C129 H140 Cl4 Fe2 N8 O S16 -","- C129 H140 Cl4 Fe2 N8 O S16 -","- C129 H140 Cl4 Fe2 N8 O S16 -","1","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.0607","0.0486","","","0.1368","0.148","","","","","","1.033","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214329","9.4199","0.0003","12.6344","0.0004","20.5258","0.0005","90","","90","","90","","2442.87","0.12","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H9 N13 O12 Pb2 -","- C15 H9 N13 O12 Pb2 -","- C60 H36 N52 O48 Pb8 -","4","0.5","","Safin, Damir A.; Burgess, Kevin M. N.; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part II: new insights into the reaction of TPymT with Pb(NO3)2","CrystEngComm","2014","16","17","3466","","10.1039/c4ce00009a","","","0.71073","MoKα","","0.0326","0.0267","","","0.0665","0.0698","","","","","","1.037","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214330","10.4811","0.0004","14.5008","0.0005","21.9334","0.0008","90","","90","","90","","3333.5","0.2","100","2","100","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C36 H84 Cl4 Mg2 N24 O36 -","- C36 H36 Cl4 Mg2 N24 O35.6636 -","- C72 H72 Cl8 Mg4 N48 O71.3272 -","2","0.25","","Danylyuk, Oksana; Fedin, Vladimir P.","Unexpected crystallization of the metastable tubular coordination polymer of cucurbit[6]uril with magnesium ions which spontaneously transforms into a discrete coordination complex","CrystEngComm","2014","16","18","3699","","10.1039/c3ce42287a","","","1.5418","CuKα","","0.1037","0.0878","","","0.2471","0.2644","","","","","","1.03","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214331","10.915","0.0002","12.4577","0.0002","13.8264","0.0002","106.243","0.001","94.7355","0.001","113.72","0.001","1611.32","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H80 Cl4 Mg2 N24 O34 -","- C36 H62 Cl4 Mg2 N24 O34 -","- C36 H62 Cl4 Mg2 N24 O34 -","1","0.5","","Danylyuk, Oksana; Fedin, Vladimir P.","Unexpected crystallization of the metastable tubular coordination polymer of cucurbit[6]uril with magnesium ions which spontaneously transforms into a discrete coordination complex","CrystEngComm","2014","16","18","3699","","10.1039/c3ce42287a","","","0.71073","MoKα","","0.0472","0.0433","","","0.1118","0.1145","","","","","","1.047","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214332","12.4536","0.0002","12.4913","0.0002","13.0575","0.0002","110.575","0.001","102.185","0.001","98.7109","0.001","1801.45","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H86 Cl8 Mg4 N24 O37 -","- C36 H76.048 Cl8 Mg4 N24 O37 -","- C36 H76.048 Cl8 Mg4 N24 O37 -","1","0.5","","Danylyuk, Oksana; Fedin, Vladimir P.","Unexpected crystallization of the metastable tubular coordination polymer of cucurbit[6]uril with magnesium ions which spontaneously transforms into a discrete coordination complex","CrystEngComm","2014","16","18","3699","","10.1039/c3ce42287a","","","0.71073","MoKα","","0.0516","0.0435","","","0.0958","0.1026","","","","","","1.05","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214333","12.2773","0.0009","28.901","0.002","15.635","0.0012","90","","93.101","0.002","90","","5539.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5","","","- C58.5 H66 N8 O14.5 -","- C58.5 H65.5 N8 O14.5 -","- C234 H262 N32 O58 -","4","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Salt formation affects the conformational and assembly properties of p-carboxylatocalix[4]arenes","CrystEngComm","2014","16","18","3712","","10.1039/c3ce42523a","","","0.7749","Synchrotron","","0.0763","0.0505","","","0.1342","0.1524","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214334","16.5671","0.0014","19.7029","0.0017","20.3946","0.0018","87.763","0.004","84.24","0.004","77.864","0.003","6474.5","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","methanolpropoxy","","","- C130.65 H167.3 N16 O34 -","- C130.65 H150 N16 O33.5 -","- C261.3 H300 N32 O67 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Salt formation affects the conformational and assembly properties of p-carboxylatocalix[4]arenes","CrystEngComm","2014","16","18","3712","","10.1039/c3ce42523a","","","0.71073","MoKα","","0.1023","0.0809","","","0.2388","0.2542","","","","","","1.893","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214335","13.1086","0.0004","38.2571","0.0017","12.9509","0.0006","90","","99.22","0.002","90","","6410.9","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","methanolbutoxy","","","- C68 H80 N8 O12 -","- C68 H80 N8 O12 -","- C272 H320 N32 O48 -","4","0.5","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Salt formation affects the conformational and assembly properties of p-carboxylatocalix[4]arenes","CrystEngComm","2014","16","18","3712","","10.1039/c3ce42523a","","","0.7749","synchrotron","","0.2628","0.1289","","","0.2471","0.3001","","","","","","1.389","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214336","16.3018","0.0005","8.6598","0.0002","13.566","0.0004","90","","112.177","0.004","90","","1773.44","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 Cl2 N6 Ni O8 -","- C10 H26 Cl2 N6 Ni O8 -","- C40 H104 Cl8 N24 Ni4 O32 -","4","1","","Tsymbal, Lyudmila V.; Lampeka, Yaroslaw D.; Boyko, Vyacheslaw I.; Kalchenko, Vitaly I.; Shishkina, Svitlana V.; Shishkin, Oleg V.","A ladder-type coordination polymer constructed from two macrocyclic units ‒ calix[4]arene tetracarboxylate and azamacrocyclic nickel(ii) complex","CrystEngComm","2014","16","18","3707","","10.1039/c3ce42279h","","","0.71073","MoKα","","0.0513","0.0362","","","0.0887","0.0957","","","","","","0.992","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214337","12.9588","0.0004","15.3239","0.0005","24.3358","0.0009","78.225","0.003","84.909","0.003","70.031","0.003","4445.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C161 H265 N27 Ni3 O34 -","- C161 H265 N27 Ni3 O34 -","- C161 H265 N27 Ni3 O34 -","1","0.5","","Tsymbal, Lyudmila V.; Lampeka, Yaroslaw D.; Boyko, Vyacheslaw I.; Kalchenko, Vitaly I.; Shishkina, Svitlana V.; Shishkin, Oleg V.","A ladder-type coordination polymer constructed from two macrocyclic units ‒ calix[4]arene tetracarboxylate and azamacrocyclic nickel(ii) complex","CrystEngComm","2014","16","18","3707","","10.1039/c3ce42279h","","","0.71073","MoKα","","0.1063","0.0766","","","0.2038","0.2337","","","","","","0.999","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214338","13.344","0.0008","11.0423","0.0007","14.6607","0.0009","90","","90.571","0.003","90","","2160.1","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H56 N6 O2 -","- C52 H56 N6 O2 -","- C104 H112 N12 O4 -","2","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","2D →2D Parallel interpenetration of (4,4) sheets constructed from a ditopic bis(4,2′:6′,4′′-terpyridine)","CrystEngComm","2014","16","17","3494","","10.1039/c4ce00324a","","","1.54178","CuKα","","0.0447","0.0393","","","0.1046","0.1096","","","","","","1.034","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214339","20.6102","0.0011","11.5999","0.0006","23.8198","0.0012","90","","90.978","0.003","90","","5693.9","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H64 Cl4 N6 O6 Zn2 -","- C52 H56 Cl4 N6 O6 Zn2 -","- C208 H224 Cl16 N24 O24 Zn8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","2D →2D Parallel interpenetration of (4,4) sheets constructed from a ditopic bis(4,2′:6′,4′′-terpyridine)","CrystEngComm","2014","16","17","3494","","10.1039/c4ce00324a","","","1.54178","CuKα","","0.0616","0.0591","","","0.1643","0.1659","","","","","","1.192","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214340","44.86","0.004","15.1635","0.0014","15.6748","0.0014","90","","97.55","0.004","90","","10570.1","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Dinitro{(±)-2,7,12-Trimethoxy-3,8,13-tris(2-N-oxide-pyridylmethoxy)-10,15-dihydro-5H- tribenzo[a,d,g]cyclononatriene}]gadolinium(III) dimethylformamide","","- C45 H46 Gd N7 O19 -","- C45 H46 Gd N7 O19 -","- C360 H368 Gd8 N56 O152 -","8","1","","Henkelis, James J.; Ronson, Tanya K.; Hardie, Michaele J.","Lanthanide coordination polymers with pyridyl-N-oxide or carboxylate functionalised host ligands","CrystEngComm","2014","16","18","3688","","10.1039/c3ce40776d","","","0.71073","MoKα","","0.1437","0.0698","","","0.1808","0.2194","","","","","","1.005","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214341","12.7326","0.0012","16.1047","0.0013","19.7002","0.0017","103.648","0.002","91.582","0.003","94.159","0.003","3911","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[Chlorotrisdimethylformamide{(±)-2,7,12-trimethoxy- 3,8,13-tris(4-N-oxide-pyridyloxy)-10,15-dihydro-5H- tribenzo[a,d,g]cyclononatriene}samarium(III) pentachlorodimethylformamidesamariumate(III) dimethylformamide","","- C61.5 H78.5 Cl6 N9.5 O18.5 Sm2 -","- C61.5 H78.5 Cl6 N9.5 O18.5 Sm2 -","- C123 H157 Cl12 N19 O37 Sm4 -","2","1","","Henkelis, James J.; Ronson, Tanya K.; Hardie, Michaele J.","Lanthanide coordination polymers with pyridyl-N-oxide or carboxylate functionalised host ligands","CrystEngComm","2014","16","18","3688","","10.1039/c3ce40776d","","","0.71073","MoKα","","0.0773","0.0504","","","0.1334","0.1494","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214342","14.2284","0.001","14.7501","0.0011","16.4083","0.0012","76.082","0.004","70.013","0.003","61.718","0.003","2837","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[Aquodimethylformamide{(±)-2,7,12-Trimethoxy-3,8,13-tris(4- phenylcarboxylic acid methoxy)-10,15-dihydro-5H- tribenzo[a,d,g] cyclononatriene}europium(III) dimethylformamide hydrate","","- C55.5 H60.5 Eu N2.5 O16.5 -","- C55.5 H56.5 Eu N2.5 O16.5 -","- C111 H113 Eu2 N5 O33 -","2","1","","Henkelis, James J.; Ronson, Tanya K.; Hardie, Michaele J.","Lanthanide coordination polymers with pyridyl-N-oxide or carboxylate functionalised host ligands","CrystEngComm","2014","16","18","3688","","10.1039/c3ce40776d","","","0.71073","MoKα","","0.073","0.0701","","","0.1929","0.1947","","","","","","1.166","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214343","9.1779","0.0004","23.8787","0.0013","7.9118","0.0004","90","","91.095","0.002","90","","1733.6","0.15","123","2","120.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N8 -","- C40 H40 N8 -","- C80 H80 N16 -","2","0.5","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.71073","MoKα","","0.0869","0.0538","","","0.1085","0.1228","","","","","","1.036","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214344","21.933","0.004","8.719","0.0017","20.64","0.004","90","","101.83","0.03","90","","3863.2","1.3","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 Cl2 N4 O10 -","- C40 H50 Cl2 N4 O10 -","- C160 H200 Cl8 N16 O40 -","4","0.5","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.056","0.0532","","","0.1346","0.1374","","","","","","1.07","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214345","9.362","0.0019","15.871","0.003","25.586","0.005","90","","96.64","0.03","90","","3776.2","1.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H80 Ag2 Cl2 N16 O8 -","- C80 H80 Ag2 Cl2 N16 O8 -","- C160 H160 Ag4 Cl4 N32 O16 -","2","0.5","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.0476","0.0403","","","0.1088","0.1136","","","","","","1.032","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214346","16.298","0.002","16.298","0.002","30.945","0.006","90","","90","","90","","8220","2","100","2","100","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C80 H88 Cl6 N8 Ni3 O16 -","- C80 H88 Cl6 N8 Ni3 O16 -","- C320 H352 Cl24 N32 Ni12 O64 -","4","","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.073","0.0651","","","0.1798","0.1867","","","","","","1.11","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214347","16.353","0.002","16.353","0.002","30.894","0.006","90","","90","","90","","8262","2","100","2","100","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C80 H88 Cl6 Co3 N8 O16 -","- C80 H88 Cl6 Co3 N8 O16 -","- C320 H352 Cl24 Co12 N32 O64 -","4","","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.0876","0.0782","","","0.2101","0.2185","","","","","","1.07","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214348","35.258","0.005","8.7597","0.0015","29.409","0.004","90","","90","","90","","9083","2","123","2","123","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C84 H106 Cl6 Cu5 N8 O23 -","- C84 H96 Cl6 Cu5 N8 O22.96 -","- C336 H384 Cl24 Cu20 N32 O91.84 -","4","0.25","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.71073","MoKα","","0.1302","0.0754","","","0.1963","0.2311","","","","","","1.032","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214349","7.4198","0.0001","9.8609","0.0001","14.6526","0.0002","90","","90.3167","0.0005","90","","1072.05","0.02","150","","150","","","","","","","","synthesized","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H12 Fe N2 -","- C13 H12 Fe N2 -","- C52 H48 Fe4 N8 -","4","1","","Caballero, Antonio; White, Nicholas G.; Beer, Paul D.","A ferrocene imidazolium-based macrocycle as an electrochemical chemosensor for halide anions","CrystEngComm","2014","16","18","3694","","10.1039/c3ce41851k","","","0.71073","MoKα","","0.0656","0.0358","","0.1085","0.0792","0.1085","","","","","","1.0157","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214350","12.2315","0.0001","12.4402","0.0002","14.9115","0.0002","95.1399","0.0005","101.642","0.0006","117.665","0.0007","1923.8","0.05","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C43 H42 Fe2 I2 N4 O -","- C43 H42 Fe2 I2 N4 O -","- C86 H84 Fe4 I4 N8 O2 -","2","1","","Caballero, Antonio; White, Nicholas G.; Beer, Paul D.","A ferrocene imidazolium-based macrocycle as an electrochemical chemosensor for halide anions","CrystEngComm","2014","16","18","3694","","10.1039/c3ce41851k","","","0.71073","MoKα","","0.036","0.0267","","0.075","0.0656","0.075","","","","","","0.8707","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214351","14.943","0.0006","17.0436","0.0007","26.1853","0.0011","101.948","0.002","97.566","0.002","111.014","0.002","5933.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","CVT-53-B2 bromo pentyl ethylene cavitand","","- C122 H151 Br8 N5 O16 -","- C122 H151 Br8 N5 O16 -","- C244 H302 Br16 N10 O32 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Quinn, Colette F.; Desper, John","Structure and thermodynamics of a multimeric cavitand assembly","CrystEngComm","2014","16","18","3796","","10.1039/c3ce42447b","","","0.71073","MoKα","","0.0487","0.0337","","","0.0843","0.0906","","","","","","0.989","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214352","12.7536","0.0006","13.7525","0.0007","24.5901","0.0012","105.279","0.002","95.784","0.002","102.12","0.002","4011.7","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","CJ-1 ethano 3-pyridyl CVT, (ethanol)9","","- C170 H222 N8 O25 -","- C170 H222 N8 O25 -","- C170 H222 N8 O25 -","1","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Quinn, Colette F.; Desper, John","Structure and thermodynamics of a multimeric cavitand assembly","CrystEngComm","2014","16","18","3796","","10.1039/c3ce42447b","","","0.71073","MoKα","","0.1515","0.0963","","","0.2796","0.3349","","","","","","1.038","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214353","13.321","0.0009","52.697","0.004","16.3401","0.0011","90","","109.773","0.003","90","","10794.1","1.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","P-1-5 [tetra(3-pyridyl) CVT]2, (4-NO2-PhCOOH)8 (PhNO2)5 (H2 O)2","","- C238 H237 N21 O60 -","- C238 H237 N21 O60 -","- C476 H474 N42 O120 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Quinn, Colette F.; Desper, John","Structure and thermodynamics of a multimeric cavitand assembly","CrystEngComm","2014","16","18","3796","","10.1039/c3ce42447b","","","1.54178","CuKα","","0.0755","0.0629","","","0.1685","0.1806","","","","","","1.056","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214354","15.7322","0.0004","24.0717","0.0007","41.3778","0.0012","90","","90","","90","","15669.8","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C148.7 H226.7 N8.7 O42.1 -","- C149.17 H225.31 N8.68 O42.27 -","- C596.68 H901.24 N34.72 O169.08 -","4","1","","Wierzbicki, Michał; Gilski, Mirosław; Rissanen, Kari; Jaskólski, Mariusz; Szumna, Agnieszka","Experiences with applications of macromolecular tools in supramolecular crystallography","CrystEngComm","2014","16","18","3773","","10.1039/c3ce42288g","","","1.54178","CuKα","","0.1037","0.0995","","","0.2487","0.2519","","","","","","1.161","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214355","15.7322","0.0004","24.0717","0.0007","41.3778","0.0012","90","","90","","90","","15669.8","0.8","148","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133.5 H197 N8 O37.5 -","- C133.5 H197 N8 O37.5 -","- C534 H788 N32 O150 -","4","1","","Wierzbicki, Michał; Gilski, Mirosław; Rissanen, Kari; Jaskólski, Mariusz; Szumna, Agnieszka","Experiences with applications of macromolecular tools in supramolecular crystallography","CrystEngComm","2014","16","18","3773","","10.1039/c3ce42288g","","","1.54178","CuKα","","0.0815","0.0757","","","0.1964","0.201","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214356","22.0457","0.0007","22.4594","0.0007","23.5621","0.0008","65.687","0.002","82.024","0.002","74.965","0.002","10261","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C436 H556 Cu24 O96 -","- C384 H477 Cu24 O105.5 -","- C384 H477 Cu24 O105.5 -","1","0.5","","Kumari, Harshita; Mossine, Andrew V.; Schuster, Nathaniel J.; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Packing arrangements of copper-seamed C-alkylpyrogallol[4]arene nanocapsules with varying chain lengths","CrystEngComm","2014","16","18","3718","","10.1039/c3ce42412j","","","1.54178","CuKα","","0.1057","0.0903","","","0.2578","0.2783","","","","","","1.016","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214357","13.595","0.005","3.71","0.002","24.063","0.009","90","","100.08","0.018","90","","1194.9","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 pico:sal","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0612","0.0573","","","0.1221","0.1265","","","","","","1.201","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214358","32.561","0.01","5.078","0.002","20.831","0.006","90","","105.811","0.013","90","","3314","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2:1 pico:succ","","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C128 H144 N32 O48 -","8","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0471","0.0422","","","0.096","0.1006","","","","","","0.92","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214359","8.479","0.003","4.979","0.002","19.167","0.007","90","","90.083","0.018","90","","809.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2:1 pico:fum","","","- C8 H8 N2 O3 -","- C8 H8 N2 O3 -","- C32 H32 N8 O12 -","4","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.051","0.0465","","","0.1055","0.1093","","","","","","1.2","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214360","7.546","0.002","11.745","0.003","10.595","0.003","90","","90.21","0.013","90","","939","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2:1 pico:adi","","","- C9 H11 N2 O3 -","- C9 H11 N2 O3 -","- C36 H44 N8 O12 -","4","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0342","0.031","","","0.0824","0.0855","","","","","","1.092","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214361","7.006","0.002","20.51","0.006","9.125","0.003","90","","106.06","0.02","90","","1260","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 pico:adi","","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0419","0.0334","","","0.0946","0.1083","","","","","","0.498","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214362","21.95","0.02","5.22","0.007","17.26","0.019","90","","118.86","0.05","90","","1732","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2:1 pico:glu","","","- C8.5 H10 N2 O3 -","- C8.5 H10 N2 O3 -","- C68 H80 N16 O24 -","8","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0838","0.0692","","","0.1777","0.1953","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214363","5.287","0.001","11.163","0.002","19.899","0.004","90","","96.704","0.009","90","","1166.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pico form I","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0455","0.0391","","","0.0987","0.1031","","","","","","1.084","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214364","5.39","0.002","9.897","0.003","24.214","0.006","90","","90.699","0.013","90","","1291.6","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1:1 pico:man","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","2","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0287","0.0271","","","0.0695","0.0708","","","","","","1.066","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214365","5.166","0.001","7.666","0.002","13.086","0.003","74.73","0.011","81.423","0.012","77.409","0.013","485.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1:1 pico:mal","","","- C9 H10 N2 O5 -","- C9 H10 N2 O5 -","- C18 H20 N4 O10 -","2","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0335","0.0315","","","0.0859","0.088","","","","","","1.052","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214366","8.161","0.003","19.967","0.006","14.987","0.005","90","","95.599","0.006","90","","2430.5","1.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(Pyridin-2-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.0518","0.0424","","","0.0924","0.0976","","","","","","1.028","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214367","8.1092","0.0002","19.7095","0.0007","15.5832","0.0005","90","","93.14","0.002","90","","2486.9","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(pyridin-4-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","1.54178","CuKα","","0.0382","0.035","","","0.09","0.0931","","","","","","1.031","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214368","7.966","0.003","19.688","0.006","15.559","0.005","90","","92.608","0.005","90","","2437.7","1.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(pyridin-3-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.2761","0.0773","","","0.1141","0.1777","","","","","","0.93","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214369","8.015","0.002","19.658","0.005","15.418","0.004","90","","93.118","0.004","90","","2425.6","1.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(pyridin-4-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.1287","0.0696","","","0.1238","0.1522","","","","","","0.966","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214370","8.2469","0.0006","20.1562","0.0015","15.1218","0.0011","90","","95.938","0.001","90","","2500.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(Pyridin-2-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.0773","0.0443","","","0.0964","0.1106","","","","","","1.012","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214371","8.116","0.009","19.78","0.02","15.801","0.018","90","","92.685","0.015","90","","2534","5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(pyridin-3-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.3908","0.0816","","","0.109","0.1962","","","","","","0.904","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214372","19.2271","0.0004","19.2271","0.0004","10.2751","0.0002","90","","90","","120","","3289.61","0.12","298","2","296","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C24 H30 N4 O3 -","- C24 H30 N4 O3 -","- C144 H180 N24 O18 -","6","0.333333","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0379","0.0349","","","0.1059","0.1095","","","","","","0.906","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214373","23.2013","0.0012","11.1503","0.0004","24.7773","0.001","90","","114.561","0.006","90","","5829.9","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 F4 N4 O8 -","- C24 H44 F4 N4 O8 -","- C192 H352 F32 N32 O64 -","8","1","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.1039","0.078","","","0.2311","0.2563","","","","","","0.98","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214374","12.7399","0.0008","12.7399","0.0008","62.039","0.005","90","","90","","120","","8720.2","1","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H34 Cl4 N4 O3 -","- C24 H34 Cl4 N4 O3 -","- C288 H408 Cl48 N48 O36 -","12","0.333333","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0715","0.0478","","","0.1313","0.1497","","","","","","1.004","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214375","11.4963","0.0006","12.2339","0.0006","13.0811","0.0008","111.373","0.005","113.194","0.005","94.457","0.004","1521.27","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H39 Cl4 N4 O5.5 -","- C24 H38 Cl4 N4 O5.5 -","- C48 H76 Cl8 N8 O11 -","2","1","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0682","0.0492","","","0.1656","0.2006","","","","","","0.69","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7214376","12.6464","0.0004","11.5355","0.0004","24.2735","0.0008","90","","104.935","0.002","90","","3421.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Br4 N4 O8 -","- C24 H43 Br4 N4 O8 -","- C96 H172 Br16 N16 O32 -","4","1","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0545","0.0353","","","0.1029","0.1205","","","","","","0.887","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214377","12.6814","0.0006","13.0383","0.0006","20.9938","0.001","75.377","0.002","87.245","0.002","88.453","0.002","3354.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H37.5 I4 N4 O4.75 -","- C24 H36 I4 N4 O4.75 -","- C96 H144 I16 N16 O19 -","4","2","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0965","0.0677","","","0.1751","0.1946","","","","","","1.112","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7214378","13.656","0.007","23.854","0.014","35.19","0.02","107.825","0.009","90.226","0.012","96.903","0.004","10824","10","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C176 H231 N16 O85.5 P12 Zn18 -","- C176 H180 N16 O85.5 P12 Zn18 -","- C352 H360 N32 O171 P24 Zn36 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 2D zinc phosphonates with heptanuclear units, reversible dehydration‒hydration and bright luminescence","CrystEngComm","2014","16","24","5387","","10.1039/c4ce00322e","","","0.71073","MoKα","","0.1026","0.0811","","","0.19","0.2047","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214379","14.909","0.005","18.496","0.006","21.715","0.007","90","","99.53","0.005","90","","5905","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H124 N12 O40 P6 Zn9 -","- C92 H104 N12 O40 P6 Zn9 -","- C184 H208 N24 O80 P12 Zn18 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 2D zinc phosphonates with heptanuclear units, reversible dehydration‒hydration and bright luminescence","CrystEngComm","2014","16","24","5387","","10.1039/c4ce00322e","","","0.71073","MoKα","","0.0513","0.044","","","0.127","0.1351","","","","","","1.133","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214380","8.0715","0.0007","16","0.0015","3.5454","0.0003","90","","101.255","0.001","90","","449.06","0.07","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4.01 O10 Tb0.99 -","- B3 Ca3.954 O10 Tb1.046 -","- B6 Ca7.908 O20 Tb2.092 -","2","0.5","","Yuan, Dongsheng; Jia, Zhitai; Wang, Jian; Gao, Zeliang; Zhang, Junjie; Fu, Xiuwei; Shu, Jun; Yin, Yanru; Hu, Qiangqiang; Tao, Xutang","Bulk growth, structure, and characterization of the new monoclinic TbCa4O(BO3)3 crystal","CrystEngComm","2014","16","19","4008","","10.1039/c4ce00051j","","","0.71073","MoKα","","0.0327","0.0305","","","0.0838","0.0792","","","","","","1.468","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214381","8.8213","0.0018","9.1383","0.0018","13.398","0.003","86.62","0.03","89.74","0.03","74.37","0.03","1038.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 Cd N2 O13 S Sm -","- C15 H12 Cd N2 O13 S Sm -","- C30 H24 Cd2 N4 O26 S2 Sm2 -","2","1","","Sun, Yan-Qiong; Liu, Qi; Zhou, Liang-Liang; Chen, Yi-Ping","Ln‒Cd heterometal organic‒inorganic hybrid materials based on diverse Ln‒Cd oxo-cluster chains: syntheses, structures and visible luminescence","CrystEngComm","2014","16","19","3986","","10.1039/c3ce42278j","","","0.71073","MoKα","","0.0677","0.066","","","0.182","0.1845","","","","","","1.097","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214382","8.6945","0.0017","8.9967","0.0018","13.246","0.003","86.66","0.03","89.75","0.03","74.51","0.03","996.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 Cd Eu N2 O13 S -","- C15 H14 Cd Eu N2 O13 S -","- C30 H28 Cd2 Eu2 N4 O26 S2 -","2","1","","Sun, Yan-Qiong; Liu, Qi; Zhou, Liang-Liang; Chen, Yi-Ping","Ln‒Cd heterometal organic‒inorganic hybrid materials based on diverse Ln‒Cd oxo-cluster chains: syntheses, structures and visible luminescence","CrystEngComm","2014","16","19","3986","","10.1039/c3ce42278j","","","0.71073","MoKα","","0.0571","0.0471","","","0.1224","0.1345","","","","","","1.101","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214383","9.6399","0.0019","9.924","0.002","22.078","0.004","90","","91.64","0.03","90","","2111.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cd2 Eu N4 O13 -","- C14 H13 Cd2 Eu N4 O13 -","- C56 H52 Cd8 Eu4 N16 O52 -","4","1","","Sun, Yan-Qiong; Liu, Qi; Zhou, Liang-Liang; Chen, Yi-Ping","Ln‒Cd heterometal organic‒inorganic hybrid materials based on diverse Ln‒Cd oxo-cluster chains: syntheses, structures and visible luminescence","CrystEngComm","2014","16","19","3986","","10.1039/c3ce42278j","","","0.71073","MoKα","","0.0366","0.0298","","","0.069","0.072","","","","","","0.997","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214384","6.052","0.006","4.919","0.005","36.98","0.03","90","","94.115","0.004","90","","1098","1.8","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C56 H36 N12 O4 -","4","1","","Mutai, Toshiki; Shono, Hideaki; Shigemitsu, Yasuhiro; Araki, Koji","Three-color polymorph-dependent luminescence: crystallographic analysis and theoretical study on excited-state intramolecular proton transfer (ESIPT) luminescence of cyano-substituted imidazo[1,2-a]pyridine","CrystEngComm","2014","16","19","3890","","10.1039/c3ce42627k","","","0.7107","MoKα","","0.1193","0.0754","","","0.191","0.2201","","","","","","0.938","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214385","13.654","0.006","7.343","0.003","14.2","0.006","90","","130.054","0.002","90","","1089.8","0.8","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C56 H36 N12 O4 -","4","1","","Mutai, Toshiki; Shono, Hideaki; Shigemitsu, Yasuhiro; Araki, Koji","Three-color polymorph-dependent luminescence: crystallographic analysis and theoretical study on excited-state intramolecular proton transfer (ESIPT) luminescence of cyano-substituted imidazo[1,2-a]pyridine","CrystEngComm","2014","16","19","3890","","10.1039/c3ce42627k","","","0.7107","MoKα","","0.0416","0.0334","","","0.0922","0.0963","","","","","","1.097","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214386","3.8196","0.001","11.356","0.003","25.246","0.007","90","","93.196","0.001","90","","1093.4","0.5","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C56 H36 N12 O4 -","4","1","","Mutai, Toshiki; Shono, Hideaki; Shigemitsu, Yasuhiro; Araki, Koji","Three-color polymorph-dependent luminescence: crystallographic analysis and theoretical study on excited-state intramolecular proton transfer (ESIPT) luminescence of cyano-substituted imidazo[1,2-a]pyridine","CrystEngComm","2014","16","19","3890","","10.1039/c3ce42627k","","","0.7107","MoKα","","0.0706","0.0591","","","0.1298","0.1328","","","","","","0.929","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214387","6.9166","0.0001","8.1526","0.0005","19.4288","0.0011","83.25","0.005","84.511","0.003","71.107","0.003","1027.41","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0588","0.0418","","","0.0941","0.1021","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214388","6.9129","0.0005","8.1497","0.0003","19.4274","0.0009","83.261","0.005","84.544","0.005","71.107","0.004","1026.48","0.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0468","0.0376","","","0.0912","0.0962","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214389","6.8912","0.0003","8.1537","0.0004","19.392","0.0006","83.68","0.003","84.452","0.004","70.835","0.003","1020.84","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","1","0.5","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0529","0.0389","","","0.0951","0.1013","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214390","6.8834","0.0005","8.2494","0.0004","19.4622","0.0013","84.137","0.006","84.642","0.006","71.382","0.005","1039.66","0.12","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0502","0.039","","","0.0894","0.0948","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214391","6.8792","0.0002","8.2487","0.0004","19.453","0.0012","84.123","0.004","84.581","0.005","71.299","0.003","1037.85","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0378","0.0332","","","0.0851","0.088","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214392","6.872","0.0006","8.2521","0.0004","19.4369","0.0012","84.441","0.004","84.474","0.005","71.056","0.005","1035.17","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","1","0.5","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.04","0.033","","","0.0875","0.0909","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214393","6.4428","0.0003","13.612","0.002","11.8759","0.0012","90","","91.722","0.005","90","","1041.04","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(R)-TMBEDT axial","","","- C14 H16 S8 -","- C14 H16 S8 -","- C28 H32 S16 -","2","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0733","0.0405","","","0.0926","0.1077","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214394","7.3179","0.0005","7.7876","0.0007","26.499","0.002","85.239","0.003","84.402","0.003","68.304","0.004","1394.67","0.19","150","2","150","2","","","","","","","","4","P 1","P 1","1","","S,S,S,S-TMET.TCNQ (from 1,1,2-trichloroethane)","","- C26 H20 N4 S8 -","- C26 H20 N4 S8 -","- C52 H40 N8 S16 -","2","2","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0541","0.0494","","","0.125","0.1287","","","","","","1.063","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214395","7.318","0.0001","7.8325","0.0001","28.2325","0.0006","94.287","0.001","95.535","0.001","110.993","0.001","1493.34","0.04","120","2","120","2","","","","","","","","5","P 1","P 1","1","","S,S,S,S-TMET.TCNQ.0.5THF","","- C56 H48 N8 O S16 -","- C56 H48 N8 O S16 -","- C56 H48 N8 O S16 -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0493","0.0403","","","0.0834","0.0882","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214396","8.4889","0.0002","13.7156","0.0002","14.0914","0.0003","110.844","0.001","100.807","0.001","107.048","0.001","1385.53","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","S,S,S,S -Tetramethyl-BEDT-TTF.TCNQ-F4 complex","","- C26 H16 F4 N4 S8 -","- C26 H16 F4 N4 S8 -","- C52 H32 F8 N8 S16 -","2","2","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0429","0.0367","","","0.0823","0.087","","","","","","1.02","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214397","13.4068","0.0004","5.1484","0.0001","22.4161","0.0006","90","","101.16","0.001","90","","1517.98","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S,S,S,S Bis(pentane-2,4-dithio)TTF.tetrafluoro-TCNQ","","- C28 H20 F4 N4 S8 -","- C28 H20 F4 N4 S8 -","- C56 H40 F8 N8 S16 -","2","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0486","0.0412","","","0.0962","0.1003","","","","","","1.036","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214398","5.6084","0.0004","8.6087","0.0007","27.868","0.002","90","","90.489","0.004","90","","1345.45","0.17","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(ethylenedithio)(2S,4S-pentane-2,4-dithio)TTF. tetrafluoro-TCNQ molecular complex","","- C25 H14 F4 N4 S8 -","- C25 H14 F4 N4 S8 -","- C50 H28 F8 N8 S16 -","2","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0726","0.0504","","","0.1136","0.1254","","","","","","1.058","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214399","16.397","0.003","18.642","0.003","7.9656","0.0013","90","","90","","90","","2434.9","0.7","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H36 N4 O12 Zn2 -","- C35 H36 N4 O12 Zn2 -","- C70 H72 N8 O24 Zn4 -","2","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0564","0.0528","","","0.1338","0.1366","","","","","","1.044","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214400","15.4019","0.001","15.4019","0.001","8.4768","0.0011","90","","90","","90","","2010.9","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C37 H48 Cu2 N4 O16 -","- C37 H48 Cu2 N4 O16 -","- C74 H96 Cu4 N8 O32 -","2","0.25","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0941","0.0748","","","0.1689","0.1792","","","","","","1.027","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214401","32.119","0.003","12.8479","0.001","20.8244","0.0016","90","","90","","90","","8593.4","1.2","291","2","291","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C33 H34 N6 O14 Zn2 -","- C33 H34 N6 O14 Zn2 -","- C264 H272 N48 O112 Zn16 -","8","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0612","0.056","","","0.1495","0.1509","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214402","17.334","0.002","9.2474","0.001","20.562","0.002","90","","108.815","0.004","90","","3119.9","0.6","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 N4 Ni O12 -","- C29 H32 N4 Ni O12 -","- C116 H128 N16 Ni4 O48 -","4","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0453","0.0427","","","0.1205","0.1221","","","","","","1.123","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214403","11.4622","0.0015","9.4091","0.0012","22.611","0.003","90","","91.698","0.002","90","","2437.5","0.6","291","2","291","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H60 Cd2 N4 O20 -","- C41 H60 Cd2 N4 O20 -","- C82 H120 Cd4 N8 O40 -","2","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0554","0.0459","","","0.1212","0.1302","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214404","15.355","0.005","6.908","0.002","32.838","0.011","90","","99.157","0.005","90","","3438.8","1.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H27 Er N6 O6 -","- C42 H27 Er N6 O6 -","- C168 H108 Er4 N24 O24 -","4","1","","Li, Teng; Hong, Xu-Jia; Liu, Xiang; Chen, Rong; Zhan, Qing-Guang; Xu, Xuan; Cai, Yue-Peng","Construction of three pH-dependent luminescent metal‒organic frameworks with 3-(4-carboxyphen-yl)-1,3-benzoimidazole","CrystEngComm","2014","16","19","3883","","10.1039/c4ce00125g","","","0.71073","MoKα","","0.1102","0.066","","","0.1498","0.1704","","","","","","1.053","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214405","11.359","0.003","14.308","0.006","18.162","0.007","90","","127.87","0.02","90","","2330.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N4 O4 Zn -","- C28 H18 N4 O4 Zn -","- C112 H72 N16 O16 Zn4 -","4","1","","Li, Teng; Hong, Xu-Jia; Liu, Xiang; Chen, Rong; Zhan, Qing-Guang; Xu, Xuan; Cai, Yue-Peng","Construction of three pH-dependent luminescent metal‒organic frameworks with 3-(4-carboxyphen-yl)-1,3-benzoimidazole","CrystEngComm","2014","16","19","3883","","10.1039/c4ce00125g","","","0.71073","MoKα","","0.1549","0.0573","","","0.0963","0.133","","","","","","1.05","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214406","18.884","0.0017","18.884","0.0017","22.448","0.003","90","","90","","90","","8005.1","1.5","298","2","298","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C56 H72 Cl6 Er4 N8 O44 Zn -","- C56 H64 Cl6 Er4 N8 O44 Zn -","- C224 H256 Cl24 Er16 N32 O176 Zn4 -","4","0.25","","Li, Teng; Hong, Xu-Jia; Liu, Xiang; Chen, Rong; Zhan, Qing-Guang; Xu, Xuan; Cai, Yue-Peng","Construction of three pH-dependent luminescent metal‒organic frameworks with 3-(4-carboxyphen-yl)-1,3-benzoimidazole","CrystEngComm","2014","16","19","3883","","10.1039/c4ce00125g","","","0.71073","MoKα","","0.1133","0.0613","","","0.1418","0.169","","","","","","1.138","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214407","5.116","0.0004","5.1957","0.0004","19.5042","0.0016","90.704","0.002","93.362","0.002","91.346","0.002","517.36","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 312 (4-pyridyl)-CONH-(CH2)4-NHCO-(4-pyridyl), HOOC-(CH2)4-COOH","","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0437","0.0375","","","0.1069","0.1132","","","","","","1.057","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214408","5.1221","0.0004","5.2045","0.0004","21.5019","0.0014","94.963","0.002","95.404","0.002","91.63","0.002","568.12","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF313 (4-pyridyl)-CONH-(CH2)4-NHCO-(4-pyridyl) HOOC-(CH2)6-COOH","","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0529","0.0429","","","0.1227","0.1303","","","","","","1.064","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214409","5.1072","0.0004","5.1171","0.0004","22.119","0.002","96.134","0.006","94.037","0.006","91.34","0.006","573.05","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF11 (4-pyridyl-CONH-(CH2)8-NHCO-(4-pyridyl), succinic acid","","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0597","0.0471","","","0.1143","0.123","","","","","","1.032","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214410","5.1403","0.0003","5.2489","0.0003","22.9829","0.0015","93.859","0.004","95.267","0.004","91.289","0.004","615.82","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Adip+A44 4-pyridyl-CONH-(CH2)8-NHCO-4-pyridyl, HOOC-(CH2)8-COOH","","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.057","0.0402","","","0.1061","0.1154","","","","","","1.045","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214411","5.142","0.0004","5.2541","0.0004","24.624","0.002","89.785","0.004","87.095","0.004","88.59","0.004","664.2","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","A44-Sub 4-pyridyl-CONH-(CH2)8-NHCO-4-pyridyl, HOOC-(CH2)6-COOH","","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0706","0.0473","","","0.123","0.1384","","","","","","1.005","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214412","5.1264","0.0006","5.2432","0.0006","26.127","0.003","85.874","0.004","89.354","0.004","88.356","0.004","700.12","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 305 (4-pyridyl)-CONH-(CH2)8-NHCO-(4-pyridyl), HOOC-(CH2)8-COOH","","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0956","0.0614","","","0.1655","0.1827","","","","","","1.084","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214413","5.0275","0.0006","6.9253","0.0009","16.058","0.002","89.749","0.006","81.536","0.005","80.893","0.006","545.93","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","C44-Succ 4-pyridyl-CONH-(CH2)6-NHCO-4-pyridyl, succinic acid","","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0533","0.0431","","","0.1222","0.1305","","","","","","1.041","","","","has coordinates,has disorder","180475","2020-10-21","18:00:00",""
"7214414","5.0282","0.0006","6.7877","0.0008","17.522","0.002","98.124","0.003","97.604","0.003","94.605","0.003","583.82","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 300 (3-pyridyl)-COHN-(CH2)6-NHCO-(3-pyridyl), HOOC-(CH2)4-COOH","","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0688","0.0487","","","0.127","0.14","","","","","","1.084","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214415","5.1671","0.0013","11.646","0.003","11.779","0.004","67.873","0.011","80.585","0.012","79.827","0.012","642.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","SF 301 (3-pyridyl)-CONH-(CH2)-6-NHCO-(3-pyridyl), HOOC-(CH2)6-COOH","","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.1002","0.0563","","","0.1407","0.1599","","","","","","1.07","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214416","4.9817","0.0004","6.8634","0.0006","20.0493","0.0016","93.097","0.004","90.233","0.004","98.285","0.004","677.32","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 274 3-pyridyl-CONH-(CH2)6-NHCO-3-pyridyl, HOOC-(CH2)8-COOH","","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0676","0.0517","","","0.1446","0.1571","","","","","","1.091","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214417","4.9821","0.0004","6.8797","0.0006","21.441","0.0017","87.936","0.006","86.223","0.006","81.469","0.005","724.93","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF10 3-pyridyl-CONH-(CH2)6-NHCO-3-pyridyl, HOOC-(CH2)10-COOH","","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0854","0.051","","","0.1297","0.1478","","","","","","1.017","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214418","8.2633","0.0003","7.3098","0.0003","5.5317","0.0002","90","","99.088","0.003","90","","329.94","0.02","180","","180","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ethylamine","","- C2 H7 N -","- C2 H7 N -","- C8 H28 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0424","0.0375","","0.0854","0.0834","0.0854","","","","","","0.925","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214419","8.9742","0.00018","5.21927","0.00008","7.40243","0.00016","90","","112.972","0.0013","90","","319.224","0.011","150","","150","","","","","","","","Aldrich","3","P 1 21/c 1","-P 2ybc","14","ethylamine","ethylamine","","- C2 H7 N -","- C2 H7 N -","- C8 H28 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","powder diffraction","","1.5406","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214420","23.287","0.0013","6.2354","0.0004","5.9794","0.0004","90","","90","","90","","868.23","0.09","150","","150","","","","","","","","Aldrich","3","P b c n","-P 2n 2ab","60","","propylamine","","- C3 H9 N -","- C3 H9 N -","- C24 H72 N8 -","8","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0777","0.0598","","0.1494","0.1337","0.1494","","","","","","0.9898","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214421","26.7852","0.0008","6.8166","0.0002","5.6703","0.0002","90","","90","","90","","1035.31","0.06","150","","150","","","","","","","","Aldrich","3","P b c n","-P 2n 2ab","60","","Butylamine","","- C4 H11 N -","- C4 H11 N -","- C32 H88 N8 -","8","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0562","0.0471","","0.1423","0.1219","0.1423","","","","","","1.105","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214422","33.546","0.004","6.4878","0.0008","5.7295","0.0007","90","","90","","90","","1247","0.3","150","","150","","","","","","","","Aldrich","3","P b c n","-P 2n 2ab","60","","pentylamine","","- C5 H13 N -","- C5 H13 N -","- C40 H104 N8 -","8","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.1555","0.0612","","0.1959","0.1373","0.1959","","","","","","0.9616","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214423","6.9725","0.0003","17.7977","0.0006","5.6105","0.0002","90","","90","","90","","696.23","0.05","150","","150","","","","","","","","Aldrich","3","P c a 21","P 2c -2ac","29","","hexylamine","","- C6 H15 N -","- C6 H15 N -","- C24 H60 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0504","0.0418","","0.1078","0.0969","0.1078","","","","","","1.0087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214424","5.5669","0.0005","41.7","0.004","6.9982","0.0007","90","","90","","90","","1624.6","0.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","heptylamine","","- C7 H17 N -","- C7 H17 N -","- C56 H136 N8 -","8","2","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.1758","0.0745","","0.3126","0.2017","0.3126","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214425","7.0309","0.0005","22.3077","0.0015","5.5826","0.0004","90","","90","","90","","875.59","0.11","150","","150","","","","","","","","Aldrich","3","P c a 21","P 2c -2ac","29","","octylamine","","- C8 H19 N -","- C8 H19 N -","- C32 H76 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.055","0.0536","","0.1084","0.1062","0.1084","","","","","","1.0043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214426","5.5458","0.0002","50.6527","0.0017","7.0521","0.0002","90","","90.04","0.002","90","","1981","0.11","150","","150","","","","","","","","Aldrich","3","P 1 21/c 1","-P 2ybc","14","","nonylamine","","- C9 H21 N -","- C9 H21 N -","- C72 H168 N8 -","8","2","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0924","0.0369","","0.1425","0.0946","0.1425","","","","","","0.8769","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214427","7.066","0.0004","26.8352","0.0015","5.573","0.0003","90","","90","","90","","1056.74","0.1","150","","150","","","","","","","","Aldrich","3","P c a 21","P 2c -2ac","29","","decylamine","","- C10 H23 N -","- C10 H23 N -","- C40 H92 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0592","0.0536","","0.1229","0.1187","0.1229","","","","","","0.9762","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214428","6.065","0.003","4.463","0.002","11.55","0.006","90","","90.081","0.006","90","","312.6","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- B3 Be4 K O9 -","- B3 Be4 K O9 -","- B6 Be8 K2 O18 -","2","0.5","","Wang, Shichao; Ye, Ning; Zou, Guohong","A new alkaline beryllium borate KBe4B3O9 with ribbon alveolate [Be2BO5]∞layers and the structural evolution of ABe4B3O9(A = K, Rb and Cs)","CrystEngComm","2014","16","19","3971","","10.1039/c4ce00085d","","","0.71073","MoKα","","0.02","0.0194","","","0.0544","0.0548","","","","","","1.131","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214429","12.443","0.002","6.5577","0.0011","21.666","0.003","90","","93.151","0.002","90","","1765.2","0.5","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.0813","0.0573","","","0.1502","0.1645","","","","","","1.062","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214430","8.2584","0.0014","10.6118","0.0018","11.751","0.002","67.631","0.002","72.609","0.002","69.331","0.002","874.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,2-bis((tert-butylthio)methyl)benzene","","- C16 H26 S2 -","- C16 H26 S2 -","- C32 H52 S4 -","2","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.0745","0.0453","","","0.1133","0.1319","","","","","","1.009","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214431","10.4014","0.0017","11.1506","0.0018","15.433","0.003","90","","90","","90","","1789.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1443","0.0547","","","0.0585","0.0721","","","","","","1.041","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214432","5.985","0.004","10.346","0.007","27.985","0.018","90","","90.592","0.009","90","","1733","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1749","0.1103","","","0.2965","0.3307","","","","","","1.025","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214433","6.171","0.005","12.078","0.005","12.267","0.005","76.243","0.005","80.572","0.005","77.97","0.005","862.3","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,4-bis((tert-butylthio)methyl)benzene","","- C16 H26 S2 -","- C16 H26 S2 -","- C32 H52 S4 -","2","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71069","MoKα","","0.1041","0.0732","","","0.2064","0.2324","","","","","","1.086","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214434","5.927","0.005","6.623","0.005","11.219","0.005","80.046","0.005","89.205","0.005","84.973","0.005","432.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,4-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","1","0.5","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71069","MoKα","","0.0638","0.0562","","","0.1662","0.1758","","","","","","1.034","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214435","6.3438","0.0018","10.203","0.003","14.767","0.004","108.771","0.004","97.042","0.004","93.17","0.004","893.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","alpha,alpha'-tert-butylsulfinyl-m-xylene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C32 H52 O4 S4 -","2","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1101","0.0576","","","0.1395","0.1667","","","","","","1.043","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214436","12.418","0.005","6.541","0.002","21.609","0.008","90","","93.212","0.006","90","","1752.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","alpha,alpha'-tert-butylsulfinyl-m-xylene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1968","0.0841","","","0.222","0.2771","","","","","","0.963","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214437","11.94","0.007","19.051","0.01","9.493","0.005","90","","124.504","0.007","90","","1779.5","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","0.5","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1811","0.0586","","","0.1071","0.1419","","","","","","0.926","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214438","10.4267","0.0016","15.449","0.002","11.1546","0.0018","90","","90","","90","","1796.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,S)-1,2-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.2124","0.0945","","","0.0813","0.1018","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214439","25.3961","0.0009","25.3961","0.0009","25.3961","0.0009","90","","90","","90","","16379.5","1","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C32 H35 Cd N9 O6 -","- C27 H22 Cd N7 O -","- C432 H352 Cd16 N112 O16 -","16","0.333333","","Yuan, Shuai; Deng, Yong-Kai; Xuan, Wei-Min; Wang, Xing-Po; Wang, Su-Na; Dou, Jian-Min; Sun, Di","Spontaneous chiral resolution of a 3D (3,12)-connected MOF with an unprecedented ttt topology consisting of cubic [Cd4(μ3-OH)4] clusters and propeller-like ligands","CrystEngComm","2014","16","19","3829","","10.1039/c4ce00028e","","","0.71073","MoKα","","0.0955","0.0689","","","0.1884","0.2091","","","","","","0.809","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214440","25.704","0.003","25.704","0.003","25.704","0.003","90","","90","","90","","16983","3","120","2","120","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C32 H35 Cd N9 O6 -","- C27 H22 Cd N7 O -","- C432 H352 Cd16 N112 O16 -","16","0.333333","","Yuan, Shuai; Deng, Yong-Kai; Xuan, Wei-Min; Wang, Xing-Po; Wang, Su-Na; Dou, Jian-Min; Sun, Di","Spontaneous chiral resolution of a 3D (3,12)-connected MOF with an unprecedented ttt topology consisting of cubic [Cd4(μ3-OH)4] clusters and propeller-like ligands","CrystEngComm","2014","16","19","3829","","10.1039/c4ce00028e","","","0.71073","MoKα","","0.0811","0.0529","","","0.1259","0.1337","","","","","","0.836","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214441","3.7068","0.001","13.382","0.003","18.423","0.005","98.732","0.004","93.699","0.004","95.739","0.004","895.8","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2,2'-Bipyridinium picrate mono-acetonitrile solvate","","- C18 H14 N6 O7 -","- C18 H14 N6 O7 -","- C36 H28 N12 O14 -","2","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0808","0.0584","","","0.1871","0.2008","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214442","17.8023","0.001","15.2063","0.0009","20.3551","0.0012","90","","102.331","0.001","90","","5383.1","0.5","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Morpholinium picrate hemihydrate","","- C10 H13 N4 O8.5 -","- C10 H13 N4 O8.5 -","- C160 H208 N64 O136 -","16","2","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.088","0.0594","","","0.1472","0.1657","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214443","13.509","0.005","7.028","0.003","18.804","0.007","90","","98.116","0.006","90","","1767.4","1.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,10-Phenanthrolinium picrate","","- C18 H11 N5 O7 -","- C18 H11 N5 O7 -","- C72 H44 N20 O28 -","4","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0863","0.0528","","","0.1297","0.1424","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214444","8.27","0.0005","10.6206","0.0006","11.4612","0.0007","82.126","0.001","86.883","0.001","71.856","0.001","947.52","0.1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2,2':6',2''-Terpyridinium picrate","","- C21 H14 N6 O7 -","- C21 H14 N6 O7 -","- C42 H28 N12 O14 -","2","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.074","0.0513","","","0.1302","0.1489","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214445","8.2754","0.0016","10.872","0.002","11.452","0.002","98.064","0.004","104.517","0.003","102.449","0.004","953.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2,9-Dimethyl-1,10-phenanthrolinium picrate","","- C20 H15 N5 O7 -","- C20 H15 N5 O7 -","- C40 H30 N10 O14 -","2","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.1046","0.0578","","","0.1408","0.1681","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214446","6.5862","0.0005","16.8945","0.0013","17.1437","0.0014","90","","99.306","0.002","90","","1882.5","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Piperidinium picrate mono-piperidine solvate","","- C16 H25 N5 O7 -","- C16 H25 N5 O7 -","- C64 H100 N20 O28 -","4","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.1057","0.0584","","","0.1405","0.1659","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214447","8.191","0.003","11.869","0.004","13.953","0.005","86.255","0.005","82.754","0.006","80.752","0.005","1326.8","0.8","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2-Methylpyridinium picrate","","- C12 H10 N4 O7 -","- C12 H10 N4 O7 -","- C48 H40 N16 O28 -","4","2","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0904","0.0596","","","0.1488","0.1643","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214448","8.259","0.002","9.243","0.002","19.849","0.005","90","","91.282","0.004","90","","1514.9","0.6","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Hydroxyquinolinium picrate","","- C15 H10 N4 O8 -","- C15 H10 N4 O8 -","- C60 H40 N16 O32 -","4","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0668","0.048","","","0.1204","0.1331","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214449","9.1996","0.0011","14.6492","0.0018","13.1834","0.0016","90","","108.918","0.002","90","","1680.7","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2-pyridyl)ammonium picrate","","- C16 H12 N6 O7 -","- C16 H12 N6 O7 -","- C64 H48 N24 O28 -","4","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0803","0.0594","","","0.1502","0.1684","","","","","","0.917","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214450","9.1747","0.0006","9.2567","0.0006","10.6372","0.0007","84.289","0.001","84.409","0.001","79.246","0.001","880.24","0.1","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 Fe N8 O10 -","- C10 H20 Fe N8 O10 -","- C20 H40 Fe2 N16 O20 -","2","1","","Kamebuchi, Hajime; Okubo, Masashi; Okazawa, Atsushi; Enomoto, Masaya; Harada, Jun; Ogawa, Keiichiro; Maruta, Goro; Takeda, Sadamu; Kojima, Norimichi; Train, Cyrille; Verdaguer, Michel","A tricky water molecule coordinated to a verdazyl radical-iron(ii) complex: a multitechnique approach.","Physical chemistry chemical physics : PCCP","2014","16","19","9086","9095","10.1039/c4cp00310a","","","0.71073","MoKα","","0.0453","0.0341","","","0.0865","0.0911","","","","","","1.073","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214451","9.1722","0.0007","9.5972","0.0007","10.5527","0.0008","84.837","0.002","83.709","0.002","80.095","0.002","907.17","0.12","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 Fe N8 O10 -","- C10 H20 Fe N8 O10 -","- C20 H40 Fe2 N16 O20 -","2","1","","Kamebuchi, Hajime; Okubo, Masashi; Okazawa, Atsushi; Enomoto, Masaya; Harada, Jun; Ogawa, Keiichiro; Maruta, Goro; Takeda, Sadamu; Kojima, Norimichi; Train, Cyrille; Verdaguer, Michel","A tricky water molecule coordinated to a verdazyl radical-iron(ii) complex: a multitechnique approach.","Physical chemistry chemical physics : PCCP","2014","16","19","9086","9095","10.1039/c4cp00310a","","","0.71073","MoKα","","0.0655","0.0408","","","0.1089","0.1206","","","","","","1.045","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214452","9.1837","0.0011","9.5706","0.0011","10.6018","0.0013","84.936","0.002","83.959","0.002","79.849","0.002","909.83","0.19","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 Fe N8 O10 -","- C10 H20 Fe N8 O10 -","- C20 H40 Fe2 N16 O20 -","2","1","","Kamebuchi, Hajime; Okubo, Masashi; Okazawa, Atsushi; Enomoto, Masaya; Harada, Jun; Ogawa, Keiichiro; Maruta, Goro; Takeda, Sadamu; Kojima, Norimichi; Train, Cyrille; Verdaguer, Michel","A tricky water molecule coordinated to a verdazyl radical-iron(ii) complex: a multitechnique approach.","Physical chemistry chemical physics : PCCP","2014","16","19","9086","9095","10.1039/c4cp00310a","","","0.71073","MoKα","","0.1058","0.0468","","","0.1113","0.1354","","","","","","1.007","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214453","9.2092","0.0008","9.2785","0.0008","10.6971","0.001","84.406","0.002","84.601","0.002","79.076","0.002","890.53","0.14","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 Fe N8 O10 -","- C10 H20 Fe N8 O10 -","- C20 H40 Fe2 N16 O20 -","2","1","","Kamebuchi, Hajime; Okubo, Masashi; Okazawa, Atsushi; Enomoto, Masaya; Harada, Jun; Ogawa, Keiichiro; Maruta, Goro; Takeda, Sadamu; Kojima, Norimichi; Train, Cyrille; Verdaguer, Michel","A tricky water molecule coordinated to a verdazyl radical-iron(ii) complex: a multitechnique approach.","Physical chemistry chemical physics : PCCP","2014","16","19","9086","9095","10.1039/c4cp00310a","","","0.71073","MoKα","","0.0573","0.0397","","","0.104","0.1132","","","","","","1.058","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214454","12.4853","0.0003","7.2462","0.0002","13.1368","0.0003","90","","98.118","0.002","90","","1176.59","0.05","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O S -","- C15 H12 O S -","- C60 H48 O4 S4 -","4","1","","Pietrzak, Mariusz; Dobkowski, Jacek; Gorski, Alexandr; Gawinkowski, Sylwester; Kijak, Michał; Luboradzki, Roman; Hansen, Poul Erik; Waluk, Jacek","Arresting consecutive steps of a photochromic reaction: studies of β-thioxoketones combining laser photolysis with NMR detection.","Physical chemistry chemical physics : PCCP","2014","16","19","9128","9137","10.1039/c4cp00530a","","","1.54184","CuKα","","0.0354","0.033","","","0.0914","0.0939","","","","","","1.076","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214455","5.8977","0.0006","7.4177","0.0007","30.865","0.003","91.949","0.004","92.578","0.005","94.343","0.004","1344.1","0.2","150","2","150","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C16 H16 N4 -","- C16 H16 N4 -","- C64 H64 N16 -","4","2","","Katan, Claudine; Savel, Paul; Wong, Bryan M.; Roisnel, Thierry; Dorcet, Vincent; Fillaut, Jean-Luc; Jacquemin, Denis","Absorption and fluorescence signatures of 1,2,3-triazole based regioisomers: challenging compounds for TD-DFT.","Physical chemistry chemical physics : PCCP","2014","16","19","9064","9073","10.1039/c4cp00478g","","x-ray","0.71073","MoKα","","0.0884","0.0589","","","0.139","0.1541","","","","","","1.029","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214456","5.7857","0.0005","16.921","0.002","13.706","0.0017","90","","98.453","0.004","90","","1327.2","0.3","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N4 -","- C16 H16 N4 -","- C64 H64 N16 -","4","1","","Katan, Claudine; Savel, Paul; Wong, Bryan M.; Roisnel, Thierry; Dorcet, Vincent; Fillaut, Jean-Luc; Jacquemin, Denis","Absorption and fluorescence signatures of 1,2,3-triazole based regioisomers: challenging compounds for TD-DFT.","Physical chemistry chemical physics : PCCP","2014","16","19","9064","9073","10.1039/c4cp00478g","","x-ray","0.71073","MoKα","","0.0546","0.0444","","","0.1066","0.1144","","","","","","1.042","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214457","10.9578","0.0003","16.3093","0.0005","9.2414","0.0003","90","","97.956","0.003","90","","1635.67","0.09","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 Cd2 Cl0 K N5 O10 -","- C11 H8 Cd2 K N5 O10 -","- C44 H32 Cd8 K4 N20 O40 -","4","0.5","","Zhong, Di-Chang; Lu, Wen-Guan; Deng, Ji-Hua","Two three-dimensional cadmium(ii) coordination polymers based on 5-amino-tetrazolate and 1,2,4,5-benzenetetracarboxylate: the pH value controlled syntheses, crystal structures and luminescent properties","CrystEngComm","2014","16","21","4633","","10.1039/c4ce00219a","","","0.71073","MoKα","","0.0468","0.0341","","","0.056","0.0623","","","","","","1.044","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214458","6.595","0.0004","9.1653","0.0005","14.1958","0.001","85.873","0.005","82.166","0.005","74.734","0.004","819.48","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Cd3 N5 O12 -","- C11 H9 Cd3 N5 O12 -","- C22 H18 Cd6 N10 O24 -","2","1","","Zhong, Di-Chang; Lu, Wen-Guan; Deng, Ji-Hua","Two three-dimensional cadmium(ii) coordination polymers based on 5-amino-tetrazolate and 1,2,4,5-benzenetetracarboxylate: the pH value controlled syntheses, crystal structures and luminescent properties","CrystEngComm","2014","16","21","4633","","10.1039/c4ce00219a","","","0.71073","MoKα","","0.0535","0.0364","","","0.0593","0.068","","","","","","1.06","","","","has coordinates,has disorder","180475","2020-10-21","18:00:00",""
"7214459","9.8996","0.0009","10.1499","0.0009","19.4607","0.0017","77.199","0.001","84.26","0.001","61.525","0.001","1676.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Eu N3 O25 Y2 -","- C24 H26 Eu0.99 N3 O25 Y2.01 -","- C48 H52 Eu1.98 N6 O50 Y4.02 -","2","1","","Zhang, Yu; Ju, Weiwei; Xu, Xiao; Lv, Yun; Zhu, Dunru; Xu, Yan","Two novel mixed Eu3+/Y3+ Ln MOFs: influence of pH on the topology, Eu/Y ratio and energy transfer","CrystEngComm","2014","16","25","5681","","10.1039/c4ce00513a","","","0.71073","MoKα","","0.0449","0.0325","","","0.0822","0.0947","","","","","","1.05","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214460","7.4519","0.0006","19.2623","0.0015","12.3897","0.0009","90","","90","","90","","1778.4","0.2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H5 Eu0.44 N O5 Y0.56 -","- C7 H5 Eu0.44 N O5 Y0.56 -","- C56 H40 Eu3.52 N8 O40 Y4.48 -","8","1","","Zhang, Yu; Ju, Weiwei; Xu, Xiao; Lv, Yun; Zhu, Dunru; Xu, Yan","Two novel mixed Eu3+/Y3+ Ln MOFs: influence of pH on the topology, Eu/Y ratio and energy transfer","CrystEngComm","2014","16","25","5681","","10.1039/c4ce00513a","","","0.71073","MoKα","","0.028","0.023","","","0.0537","0.0553","","","","","","1.151","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214461","5.8743","0.0006","7.5065","0.0007","13.3959","0.0009","101.489","0.007","96.656","0.007","110.39","0.008","531.44","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C22 H16 Br2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0732","0.0491","","","0.1109","0.1186","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214462","7.287","0.002","24.367","0.005","12.004","0.003","90","","100.65","0.02","90","","2094.7","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br N4 O -","- C10 H7 Br N4 O -","- C80 H56 Br8 N32 O8 -","8","2","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.2004","0.0812","","","0.1605","0.2016","","","","","","0.892","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214463","5.8988","0.0019","7.408","0.003","13.191","0.004","101.56","0.03","96.55","0.02","110.55","0.03","518","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl N3 O -","- C11 H8 Cl N3 O -","- C22 H16 Cl2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0815","0.0715","","","0.141","0.1512","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214464","7.375","0.004","10.92","0.005","13.606","0.007","86.2","0.04","83.56","0.04","73.19","0.04","1041.7","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 Cl N4 O -","- C10 H7 Cl N4 O -","- C40 H28 Cl4 N16 O4 -","4","2","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.162","0.071","","","0.1168","0.1433","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214465","6.0141","0.0015","23.974","0.005","13.582","0.003","90","","92.58","0.02","90","","1956.3","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C88 H64 F8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.1738","0.0538","","","0.0885","0.1149","","","","","","0.864","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214466","3.7671","0.0005","15.7465","0.0019","16.358","0.002","90","","92.991","0.011","90","","969","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 F N4 O -","- C10 H7 F N4 O -","- C40 H28 F4 N16 O4 -","4","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0901","0.0466","","","0.0773","0.0862","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214467","5.7717","0.0003","24.9374","0.0008","7.5654","0.0003","90","","94.819","0.004","90","","1085.05","0.08","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 I N4 O -","- C10 H7 I N4 O -","- C40 H28 I4 N16 O4 -","4","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0912","0.0787","","","0.1239","0.1598","","","","","","0.91","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214468","5.955","0.0008","7.7126","0.0011","12.9998","0.0017","78.85","0.011","85.64","0.011","70.594","0.011","552.47","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 I N3 O -","- C11 H8 I N3 O -","- C22 H16 I2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0355","0.0296","","","0.0668","0.0692","","","","","","1.091","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214469","18.4898","0.0011","18.4898","0.0011","38.7266","0.0019","90","","90","","120","","11465.8","1.1","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C22 H13 Cu2 N O12 -","- C22 H9 Cu2 N O12 -","- C198 H81 Cu18 N9 O108 -","9","0.25","","Zhang, Mingxing; Wang, Qian; Lu, Zhiyong; Liu, Huiyan; Liu, Wenlong; Bai, Junfeng","A nitro-decorated NbO-type metal‒organic framework with a highly selective CO2 uptake and CH4 storage capacity","CrystEngComm","2014","16","28","6287","","10.1039/c4ce00202d","","","0.71073","MoKα","","0.1328","0.1208","","","0.3356","0.3522","","","","","","1.449","","","","has coordinates,has disorder","180475","2020-10-21","18:00:00",""
"7214470","37.342","0.007","8.2819","0.0004","26.577","0.009","90","","134.36","0.03","90","","5876","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 N6 O9 Zn1.5 -","- C30 H23 N6 O9 Zn1.5 -","- C240 H184 N48 O72 Zn12 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.1415","0.0794","","","0.1381","0.1575","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214471","38.1051","0.0019","8.0262","0.0002","26.1036","0.0012","90","","130.755","0.008","90","","6047.6","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 Cd1.5 N6 O11 -","- C30 H27 Cd1.5 N6 O11 -","- C240 H216 Cd12 N48 O88 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.0772","0.0531","","","0.0977","0.1049","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214472","10.1513","0.0015","32.003","0.006","18.417","0.004","90","","90","","90","","5983.2","1.9","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H19 N6 O7.5 Zn1.5 -","- C30 H19 N6 O7.5 Zn1.5 -","- C240 H152 N48 O60 Zn12 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.1961","0.0987","","","0.2535","0.3063","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214473","32.5833","0.0008","10.191","0.0003","19.138","0.0005","90","","90","","90","","6354.9","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H24 Cd1.5 N6 O10 -","- C30 H24 Cd1.5 N6 O10 -","- C240 H192 Cd12 N48 O80 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.0614","0.0459","","","0.106","0.1119","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214474","19.9674","0.0005","18.9868","0.0005","30.7298","0.0011","90","","90","","90","","11650.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H43 N12 O18.5 Zn3 -","- C60 H43 N12 O18.5 Zn3 -","- C480 H344 N96 O148 Zn24 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.1264","0.0662","","","0.1578","0.1866","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214475","7.5481","0.0006","10.8878","0.001","19.046","0.0018","79.948","0.008","79.57","0.008","73.077","0.008","1460.3","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C60 H42 N12 O15 Zn2 -","- C60 H42 N12 O15 Zn2 -","- C60 H42 N12 O15 Zn2 -","1","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.074","0.0617","","","0.1591","0.168","","","","","","1.049","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214476","27.4177","0.0012","8.2315","0.0003","13.7691","0.0007","90","","94.263","0.005","90","","3098.9","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H25 Cd1.5 N6 O10 -","- C30 H25 Cd1.5 N6 O10 -","- C120 H100 Cd6 N24 O40 -","4","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.0583","0.0464","","","0.1002","0.1043","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214477","5.764","0.002","7.64","0.002","12.283","0.004","90","","96.901","0.011","90","","537","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) fumaric acid","bis(urea) (E)-butenedioic acid","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C12 H24 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0442","0.035","","","0.0783","0.0832","","","","","","1.038","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214478","5.671","0.004","7.888","0.005","12.348","0.01","90","","96.719","0.003","90","","548.6","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) fumaric acid","bis(urea) (E)-butenedioic acid","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C12 H24 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0481","0.0328","","","0.0826","0.0951","","","","","","1.132","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214479","5.541","0.006","8.214","0.007","12.427","0.012","90","","97.314","0.008","90","","561","0.9","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) fumaric acid","bis(urea) (E)-butenedioic acid","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C12 H24 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0768","0.0577","","","0.1046","0.1114","","","","","","1.2","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214480","7.89","0.005","5.79","0.005","13.65","0.005","90","","91.22","","90","","623.4","0.7","20","","20","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0896","0.0538","","","0.081","0.086","","","","","","1.344","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214481","8.02","0.005","5.75","0.005","13.74","0.005","90","","91.43","","90","","633.4","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.08","0.0497","","","0.0881","0.092","","","","","","1.444","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214482","8.29","0.005","5.66","0.005","13.78","0.005","90","","91.8","","90","","646.3","0.7","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0906","0.053","","","0.0928","0.0983","","","","","","1.472","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214483","8.54","0.005","5.58","0.005","13.84","0.005","90","","92.92","","90","","658.7","0.7","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0814","0.0441","","","0.0803","0.0852","","","","","","1.381","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214484","8.0244","0.0012","5.7496","0.0007","13.735","0.002","90","","91.246","0.005","90","","633.54","0.15","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0371","0.0334","","","0.089","0.0918","","","","","","1.09","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214485","8.2868","0.0007","5.6618","0.0003","13.7761","0.0011","90","","91.799","0.004","90","","646.03","0.08","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0455","0.0353","","","0.0997","0.1077","","","","","","1.122","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214486","8.5398","0.0008","5.5798","0.0004","13.8377","0.0016","90","","92.291","0.004","90","","658.84","0.11","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0773","0.0432","","","0.1107","0.1464","","","","","","1.159","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214487","8.3188","0.001","5.6497","0.0005","13.8382","0.0013","90","","104.156","0.004","90","","630.63","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) fumaric acid","bis(N-methylurea) trans-butenedioic acid","","- C8 H16 N4 O6 -","- C8 H16 N4 O6 -","- C16 H32 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0435","0.0327","","","0.0745","0.0804","","","","","","1.07","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214488","8.5509","0.0016","5.5691","0.0008","13.909","0.002","90","","102.959","0.007","90","","645.49","0.18","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) fumaric acid","bis(N-methylurea) trans-butenedioic acid","","- C8 H16 N4 O6 -","- C8 H16 N4 O6 -","- C16 H32 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0656","0.0398","","","0.0933","0.1043","","","","","","1.074","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214489","8.7741","0.0014","5.4413","0.0007","13.9303","0.0019","90","","100.73","0.006","90","","653.44","0.16","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) fumaric acid","bis(N-methylurea) trans-butenedioic acid","","- C8 H16 N4 O6 -","- C8 H16 N4 O6 -","- C16 H32 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0949","0.0487","","","0.0962","0.1168","","","","","","1.031","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214490","5.1081","0.0008","10.5388","0.0014","10.2233","0.0014","90","","102.717","0.007","90","","536.85","0.13","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methylurea oxalic acid","N-methylurea ethandioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0696","0.0432","","","0.1088","0.1261","","","","","","1.173","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214491","5.1464","0.0014","10.555","0.002","10.313","0.003","90","","101.835","0.013","90","","548.3","0.2","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methylurea oxalic acid","N-methylurea ethandioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.079","0.0508","","","0.111","0.1231","","","","","","1.061","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214492","8.35","0.005","5.44","0.005","15.43","0.005","90","","101.95","0.01","90","","685.7","0.8","20","","20","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0871","0.0502","","","0.0779","0.0838","","","","","","1.281","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214493","8.4","0.005","5.47","0.005","15.47","0.005","90","","101.95","0.01","90","","695.4","0.8","50","","50","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.08","0.0473","","","0.0777","0.0838","","","","","","1.217","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214494","8.483","0.003","5.5169","0.0014","15.415","0.005","90","","101.677","0.008","90","","706.5","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.033","0.0308","","","0.088","0.09","","","","","","1.086","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214495","8.6629","0.0012","5.6284","0.0006","15.152","0.002","90","","100.948","0.004","90","","725.34","0.16","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0408","0.0373","","","0.1078","0.1113","","","","","","1.081","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214496","8.797","0.002","5.6934","0.0013","15.059","0.004","90","","100.764","0.007","90","","741","0.3","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0534","0.0472","","","0.1364","0.1435","","","","","","1.072","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214497","5.8025","0.0008","18.158","0.002","6.8184","0.0008","90","","101.019","0.004","90","","705.15","0.15","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(N,N-dimethylurea) fumaric acid","bis(N,N-Dimethylurea) trans-butenedioic acid","","- C10 H20 N4 O6 -","- C10 H20 N4 O6 -","- C20 H40 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0525","0.0417","","","0.1139","0.1251","","","","","","1.13","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214498","5.864","0.0005","18.2369","0.0011","6.8458","0.0004","90","","101.33","0.003","90","","717.83","0.09","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(N,N-dimethylurea) fumaric acid","bis(N,N-Dimethylurea) trans-butenedioic acid","","- C10 H20 N4 O6 -","- C10 H20 N4 O6 -","- C20 H40 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0485","0.0397","","","0.1113","0.1196","","","","","","1.081","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214499","5.924","0.004","18.376","0.009","6.873","0.005","90","","101.293","0.005","90","","733.7","0.8","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(N,N-dimethylurea) fumaric acid","bis(N,N-Dimethylurea) trans-butenedioic acid","","- C10 H20 N4 O6 -","- C10 H20 N4 O6 -","- C20 H40 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0802","0.0507","","","0.1438","0.1693","","","","","","1.082","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214500","5.71","0.0006","7.97","0.001","12.16","0.0013","90","","96.16","0.004","90","","550.19","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0734","0.0453","","","0.0749","0.08","","","","","","1.258","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214501","5.67","0.0006","8.12","0.001","12.22","0.0013","90","","96.38","0.004","90","","559.13","0.11","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0565","0.0355","","","0.0642","0.0691","","","","","","1.235","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214502","5.64","0.0006","8.26","0.001","12.28","0.0013","90","","96.66","0.004","90","","568.22","0.11","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0678","0.0423","","","0.0746","0.0787","","","","","","1.368","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214503","5.7109","0.0007","7.9698","0.0011","12.158","0.0015","90","","96.16","0.004","90","","550.17","0.12","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.035","0.0299","","","0.0793","0.083","","","","","","1.069","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214504","5.6706","0.0005","8.1227","0.0007","12.2182","0.001","90","","96.375","0.003","90","","559.3","0.08","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0382","0.0315","","","0.0826","0.0896","","","","","","1.091","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214505","5.6366","0.0006","8.2568","0.001","12.279","0.0013","90","","96.659","0.004","90","","567.61","0.11","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0621","0.0351","","","0.0848","0.1074","","","","","","1.142","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214506","5.7976","0.001","7.5666","0.001","12.351","0.003","90","","97.03","0.03","90","","537.74","0.18","30","2","30","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C12 H24 N8 O12 -","4","1","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0501","0.0501","","","","0.1268","","","","","","1.126","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214507","5.766","0.002","7.666","0.003","12.332","0.005","90","","96.81","0.03","90","","541.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(Urea) fumaric acid","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C12 H24 N8 O12 -","4","1","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0552","0.0552","","","0.1145","0.1145","","","","","","1.046","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214508","5.676","0.002","7.912","0.003","12.366","0.005","90","","96.66","0.03","90","","551.6","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(Urea) fumaric acid","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C12 H24 N8 O12 -","4","1","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0558","0.0558","","","0.1247","0.1247","","","","","","1.091","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214509","5.549","0.002","8.239","0.003","12.445","0.004","90","","97.24","0.03","90","","564.4","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(Urea) fumaric acid","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C12 H24 N8 O12 -","4","1","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0566","0.0566","","","0.13","0.1301","","","","","","1.096","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214510","7.4865","0.0014","13.522","0.003","17.24","0.003","67.769","0.009","81.362","0.009","79.166","0.009","1580.7","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Cl6 I2 N2 O2 -","- C28 H16 Cl6 I2 N2 O2 -","- C56 H32 Cl12 I4 N4 O4 -","2","1","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0546","0.0303","","","0.0633","0.0733","","","","","","1.004","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214511","8.557","0.002","14.816","0.003","31.189","0.006","90","","90","","90","","3954.2","1.4","103","2","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H44 Cl7 I2 N O2 -","- C34 H44 Cl7 I2 N O2 -","- C136 H176 Cl28 I8 N4 O8 -","4","0.5","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0405","0.0267","","","0.0497","0.0537","","","","","","1.086","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214512","8.9174","0.0009","15.2187","0.0012","31.429","0.003","90","","90","","90","","4265.3","0.7","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H44 Cl6 I3 N O2 -","- C34 H44 Cl6 I3 N O2 -","- C136 H176 Cl24 I12 N4 O8 -","4","0.5","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0524","0.0341","","","0.0736","0.0869","","","","","","1.079","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214513","22.173","0.002","7.687","0.0007","13.8308","0.0013","90","","109.181","0.004","90","","2226.5","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H4 Cl3 I O -","- C9 H4 Cl3 I O -","- C72 H32 Cl24 I8 O8 -","8","1","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0452","0.0366","","","0.1035","0.1082","","","","","","1.058","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214514","4.2659","0.0006","10.4936","0.0014","13.3814","0.0016","108.226","0.012","93.893","0.012","90.291","0.012","567.43","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H4 Cl3 I O -","- C9 H4 Cl3 I O -","- C18 H8 Cl6 I2 O2 -","2","1","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0385","0.0314","","","0.0737","0.0785","","","","","","1.059","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214515","31.1","0.005","5.3807","0.0007","13.861","0.002","90","","107.05","0.005","90","","2217.6","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H3 Cl3 I O -","- C9 H4 Cl3 I O -","- C72 H32 Cl24 I8 O8 -","8","1","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.1436","0.1236","","","0.2744","0.2992","","","","","","1.044","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214516","11.4377","0.0005","10.9909","0.0004","23.6256","0.001","90","","101.327","0.002","90","","2912.1","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H20 Cd N4 O6 -","- C30 H20 Cd N4 O6 -","- C120 H80 Cd4 N16 O24 -","4","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0692","0.0655","","","0.166","0.1683","","","","","","1.113","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214517","10.7918","0.0004","22.0438","0.0009","29.3454","0.0011","78.661","0.002","81.342","0.002","83.766","0.003","6744.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H80 Cd4 N16 O28.5 -","- C120 H80 Cd4 N16 O28.5 -","- C240 H160 Cd8 N32 O57 -","2","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0778","0.0548","","","0.1464","0.1537","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214518","27.665","0.011","21.903","0.007","29.854","0.009","90","","90","","90","","18090","11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H57 N15 O24 Zn3 -","- C90 H57 N15 O24 Zn3 -","- C720 H456 N120 O192 Zn24 -","8","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.138","0.0766","","","0.1852","0.2179","","","","","","0.977","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214519","15.0919","0.0005","14.1967","0.0005","18.1636","0.0006","90","","112.283","0.002","90","","3601","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 N6 O14 Zn -","- C38 H24 N6 O14 Zn -","- C152 H96 N24 O56 Zn4 -","4","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0669","0.0425","","","0.0971","0.1073","","","","","","1.026","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214520","11.8446","0.0002","16.2081","0.0002","15.5426","0.0002","90","","116.373","0.001","90","","2673.29","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N4 O8.5 Zn -","- C31 H20 N4 O8.5 Zn -","- C124 H80 N16 O34 Zn4 -","4","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0402","0.0357","","","0.0823","0.085","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214521","8.5394","0.0007","17.9536","0.0016","14.646","0.001","90","","118.236","0.004","90","","1978.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 N2 O5 Zn -","- C23 H13 N2 O5 Zn -","- C92 H52 N8 O20 Zn4 -","4","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0674","0.0547","","","0.1559","0.1673","","","","","","1.06","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214522","9.9223","0.0002","14.9699","0.0003","21.0207","0.0004","77.365","0.001","81.01","0.001","82.377","0.001","2993.54","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 N8 O12 Zn2 -","- C60 H40 N8 O12 Zn2 -","- C120 H80 N16 O24 Zn4 -","2","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.061","0.0417","","","0.1105","0.1165","","","","","","1.038","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7215044","15.529","0.002","7.9238","0.0011","28.524","0.003","90","","119.779","0.005","90","","3046.4","0.7","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C24 H83 Mn4 N16 O5 S12 Sb3 -","- C24 H83 Mn4 N16 O5 S12 Sb3 -","- C48 H166 Mn8 N32 O10 S24 Sb6 -","2","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Zang, Hui-Ping; Zhai, Xiu-Rong; Feng, Li-Juan; Zhao, Zhi-Fei; Zhao, Jian-Qiang; Liu, Xin-Yue","Two manganese‒amine complexes incorporating thioantimonates and exhibiting diversiform roles of amine ligands","CrystEngComm","2014","16","16","3424","","10.1039/c3ce42240b","","","0.71073","MoKα","","0.0492","0.0304","","","0.0752","0.1026","","","","","","1.079","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215045","12.79","0.003","12.867","0.003","13.616","0.003","112.894","0.002","91.768","0.003","92.612","0.003","2059.2","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H32 Mn N6 O S15 Sb8 -","- C8 H32 Mn N6 O S15 Sb8 -","- C16 H64 Mn2 N12 O2 S30 Sb16 -","2","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Zang, Hui-Ping; Zhai, Xiu-Rong; Feng, Li-Juan; Zhao, Zhi-Fei; Zhao, Jian-Qiang; Liu, Xin-Yue","Two manganese‒amine complexes incorporating thioantimonates and exhibiting diversiform roles of amine ligands","CrystEngComm","2014","16","16","3424","","10.1039/c3ce42240b","","","0.71073","MoKα","","0.0544","0.0445","","","0.0972","0.1009","","","","","","1.006","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215046","8.0133","0.0007","11.2963","0.0004","19.9503","0.0013","90","","90","","90","","1805.9","0.2","200","2","200","2","","","","","","","synthesis as described","5","P c c n","-P 2ab 2ac","56","","","","- C14 H22 N4 O8 Zn -","- C14 H22 N4 O8 Zn -","- C56 H88 N16 O32 Zn4 -","4","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.0995","0.0537","","","0.1133","0.141","","","","","","1.134","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215047","8.764","0.002","15.381","0.004","11.395","0.002","90","","106.617","0.01","90","","1471.9","0.6","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N4 O6 Zn -","- C12 H14 N4 O6 Zn -","- C48 H56 N16 O24 Zn4 -","4","1","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.0731","0.0335","","","0.0678","0.077","","","","","","1.008","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215048","7.933","0.002","13.2295","0.0017","22.388","0.005","90","","90","","90","","2349.6","0.8","200","2","200","2","","","","","","","synthesis as described","5","P b c n","-P 2n 2ab","60","","","","- C24 H22 N4 O6 Zn -","- C24 H22 N4 O6 Zn -","- C96 H88 N16 O24 Zn4 -","4","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.1176","0.0514","","","0.108","0.1417","","","","","","1.079","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215049","9.91","0.0009","16.496","0.003","18.716","0.003","90","","104.91","0.008","90","","2956.6","0.8","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 N12 O12 Zn2 -","- C68 H56 N12 O12 Zn2 -","- C136 H112 N24 O24 Zn4 -","2","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.1197","0.0574","","","0.1075","0.1351","","","","","","1.093","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215050","9.404","0.002","11.923","0.0017","14.556","0.003","77.24","0.01","84.17","0.01","72.49","0.01","1516.9","0.5","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C68 H58 N12 O9 Zn2 -","- C68 H58 N12 O9 Zn2 -","- C68 H58 N12 O9 Zn2 -","1","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.0812","0.0361","","","0.0721","0.0874","","","","","","0.85","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215051","10.6806","0.0015","9.1982","0.0013","7.5204","0.0011","90","","107.139","0.002","90","","706.01","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 Ca Cl2 N2 O4 -","- C10 H18 Ca Cl2 N2 O4 -","- C20 H36 Ca2 Cl4 N4 O8 -","2","0.5","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.032","0.0283","","","0.0686","0.0711","","","","","","1.027","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215052","5.872","0.0019","17.422","0.006","7.957","0.003","90","","104.233","0.005","90","","789","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Ca Cl2 N2 O6 -","- C10 H22 Ca Cl2 N2 O6 -","- C20 H44 Ca2 Cl4 N4 O12 -","2","0.5","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.069","0.0613","","","0.1596","0.1633","","","","","","1.09","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215053","7.6518","0.0012","9.7084","0.0015","19.982","0.003","90","","90","","90","","1484.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Ca Cl2 N2 O4 -","- C10 H18 Ca Cl2 N2 O4 -","- C40 H72 Ca4 Cl8 N8 O16 -","4","1","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.0434","0.0358","","","0.0747","0.0783","","","","","","1.04","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7215054","6.9732","0.0006","11.7268","0.0011","12.1168","0.0011","90","","90","","90","","990.83","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Ca Cl2 N O3 -","- C5 H11 Ca Cl2 N O3 -","- C20 H44 Ca4 Cl8 N4 O12 -","4","1","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.0238","0.0227","","","0.0542","0.0557","","","","","","1.044","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215055","7.7297","0.0005","14.3257","0.0007","21.704","0.0003","90","","90","","90","","2403.4","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H14 Be N2 O8 P2 -","- C7 H14 Be N2 O8 P2 -","- C56 H112 Be8 N16 O64 P16 -","8","1","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.051","0.0429","","","0.093","0.0964","","","","","","1.141","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215056","8.7135","0.0007","13.8526","0.0004","17.1154","0.0004","90","","98.947","0.005","90","","2040.77","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H25 Be3 N2 O17.5 P4 -","- C8 H10 Be3 N2 O17.5 P4 -","- C32 H40 Be12 N8 O70 P16 -","4","1","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.0596","0.051","","","0.1471","0.1531","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215057","8.7901","0.0005","8.8969","0.0003","15.095","0.0002","88.59","0.003","75.26","0.004","62.81","0.007","1009.71","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H26 Be2 N2 O16 P4 -","- C8 H25.5 Be2 N2 O16 P4 -","- C16 H51 Be4 N4 O32 P8 -","2","1","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.0681","0.0481","","","0.0982","0.1067","","","","","","1.064","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215058","9.3591","0.0006","9.3128","0.0005","15.1655","0.0003","90","","92.505","0.005","90","","1320.55","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H28 Be4 N2 O24 P6 -","- C8 H28 Be4 N2 O24 P6 -","- C16 H56 Be8 N4 O48 P12 -","2","0.5","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.0524","0.0429","","","0.1077","0.1119","","","","","","1.129","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215059","20.872","0.008","20.872","0.008","5.882","0.002","90","","90","","90","","2562.4","1.6","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C18 H16 Cd2 N6 O7 -","- C18 H16 Cd2 N6 O7 -","- C72 H64 Cd8 N24 O28 -","4","0.5","","Li, Teng; Yang, Jian; Hong, Xu-Jia; Ou, Yan-Jun; Gu, Zhi-Gang; Cai, Yue-Peng","A robust porous pillar-chained Cd-framework with selective sorption for CO2 and guest-driven tunable luminescence","CrystEngComm","2014","16","19","3848","","10.1039/c4ce00045e","","","0.71073","MoKα","","0.0657","0.0429","","","0.1184","0.1351","","","","","","1.089","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215060","20.8164","0.0013","20.8164","0.0013","5.8701","0.0004","90","","90","","90","","2543.6","0.3","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C9 H7 Cd N3 O3 -","- C9 H7 Cd N3 O3 -","- C72 H56 Cd8 N24 O24 -","8","1","","Li, Teng; Yang, Jian; Hong, Xu-Jia; Ou, Yan-Jun; Gu, Zhi-Gang; Cai, Yue-Peng","A robust porous pillar-chained Cd-framework with selective sorption for CO2 and guest-driven tunable luminescence","CrystEngComm","2014","16","19","3848","","10.1039/c4ce00045e","","","0.71073","MoKα","","0.039","0.0313","","","0.0865","0.0904","","","","","","1.081","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215061","21.23","0.06","21.23","0.06","6.029","0.017","90","","90","","90","","2717","13","298","2","298","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C9 H7 Cd I N3 O3 -","- C9 H7 Cd I N3 O3 -","- C72 H56 Cd8 I8 N24 O24 -","8","1","","Li, Teng; Yang, Jian; Hong, Xu-Jia; Ou, Yan-Jun; Gu, Zhi-Gang; Cai, Yue-Peng","A robust porous pillar-chained Cd-framework with selective sorption for CO2 and guest-driven tunable luminescence","CrystEngComm","2014","16","19","3848","","10.1039/c4ce00045e","","","0.71073","MoKα","","0.083","0.0611","","","0.179","0.2029","","","","","","1.086","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215062","9.1013","0.0011","10.8625","0.0014","12.5697","0.0016","76.698","0.002","86.585","0.002","79.993","0.002","1190.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Mg N3 O10 S2 -","- C21 H21 Mg N3 O10 S2 -","- C42 H42 Mg2 N6 O20 S4 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.0602","0.0472","","","0.1405","0.1535","","","","","","1.053","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215063","18.538","0.017","16.748","0.016","16.019","0.015","90","","103.804","0.012","90","","4830","8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 Ca N3 O9.5 S2 -","- C21 H18 Ca N3 O9.5 S2 -","- C168 H144 Ca8 N24 O76 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.1266","0.0637","","","0.1653","0.2067","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215064","8.9535","0.0011","11.451","0.0014","12.3912","0.0015","69.024","0.002","81.056","0.002","79.498","0.002","1160.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 N3 O9 Pb S2 -","- C21 H19 N3 O9 Pb S2 -","- C42 H38 N6 O18 Pb2 S4 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.0628","0.0445","","","0.0903","0.0991","","","","","","1.002","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215065","15.792","0.006","19.232","0.007","14.198","0.005","90","","91.16","0.005","90","","4311","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N3 O6.5 Pb S2 -","- C21 H13 N3 O6.5 Pb S2 -","- C168 H104 N24 O52 Pb8 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.0816","0.0685","","","0.215","0.2229","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215066","13.85","0.0012","14.6293","0.0012","17.9504","0.0016","97.443","0.001","101.793","0.001","90.424","0.001","3528.1","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H57 N9 O27 Pb3 S6 -","- C63 H41 N9 O27 Pb3 S6 -","- C126 H82 N18 O54 Pb6 S12 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.0754","0.0457","","","0.0985","0.1143","","","","","","0.987","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215067","14.2823","0.0019","17.776","0.003","27.245","0.003","90","","90","","90","","6917","1.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H30 N4 O16 Zn3 -","- C20 H4 O16 Zn3 -","- C160 H32 O128 Zn24 -","8","1","","Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhai, Quan-Guo","Ionic liquids used for synthesis of supramolecular isomeric open-frameworks as photocatalysts for visible-light-driven degradation of organic dyes","CrystEngComm","2014","16","17","3474","","10.1039/c4ce00014e","","","0.71073","MoKα","","0.0528","0.0486","","","0.1424","0.1461","","","","","","1.067","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215068","19.743","0.0003","26.8524","0.0005","29.2175","0.0005","90","","90","","90","","15489.6","0.5","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C36 H34 N4 O16 Zn3 -","- C20 H4 O16 Zn3 -","- C320 H64 O256 Zn48 -","16","0.5","","Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhai, Quan-Guo","Ionic liquids used for synthesis of supramolecular isomeric open-frameworks as photocatalysts for visible-light-driven degradation of organic dyes","CrystEngComm","2014","16","17","3474","","10.1039/c4ce00014e","","","0.71073","MoKα","","0.0315","0.0291","","","0.107","0.1083","","","","","","1.014","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215069","41.0363","0.0018","12.1733","0.0004","14.1609","0.0005","90","","100.869","0.003","90","","6947.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cu4 O23 Se -","- C18 H6 Cu4 O23 Se -","- C144 H48 Cu32 O184 Se8 -","8","1","","Papaefstathiou, Giannis S.; Subrahmanyam, Kota S.; Armatas, Gerasimos S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Manos, Manolis J.","A unique microporous copper trimesate selenite with high selectivity for CO2","CrystEngComm","2014","16","17","3483","","10.1039/c4ce00091a","","","0.71073","MoKα","","0.0903","0.0639","","","0.1371","0.1453","","","","","","1.093","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215070","38.391","0.006","12.3697","0.0011","14.1757","0.0014","90","","90.165","0.01","90","","6731.8","1.4","473","2","473","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 Cu4 O15 Se -","- C18 H6 Cu4 O15 Se -","- C144 H48 Cu32 O120 Se8 -","8","1","","Papaefstathiou, Giannis S.; Subrahmanyam, Kota S.; Armatas, Gerasimos S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Manos, Manolis J.","A unique microporous copper trimesate selenite with high selectivity for CO2","CrystEngComm","2014","16","17","3483","","10.1039/c4ce00091a","","","0.71073","MoKα","","0.249","0.1312","","","0.2912","0.3382","","","","","","1.071","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215071","14.3644","0.0017","8.318","0.001","8.8927","0.0011","90","","120.75","0.005","90","","913.1","0.2","185","2","185","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H11 Mn N O6 -","- C5 H11 Mn N O6 -","- C20 H44 Mn4 N4 O24 -","4","1","","Sánchez-Andújar, M.; Gómez-Aguirre, L. C.; Pato Doldán, B.; Yáñez-Vilar, S.; Artiaga, R.; Llamas-Saiz, A. L.; Manna, R. S.; Schnelle, F.; Lang, M.; Ritter, F.; Haghighirad, A. A.; Señarís-Rodríguez, M. A.","First-order structural transition in the multiferroic perovskite-like formate [(CH3)2NH2][Mn(HCOO)3]","CrystEngComm","2014","16","17","3558","","10.1039/c3ce42411a","","","0.71073","MoKα","","0.1006","0.0634","","","0.1535","0.1739","","","","","","0.955","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215072","8.3544","0.0005","8.3544","0.0005","22.8701","0.0016","90","","90","","120","","1382.39","0.15","190","2","190","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H3 Mn N0.99 O6 -","- C30 H18 Mn6 N5.94 O36 -","6","0.166667","","Sánchez-Andújar, M.; Gómez-Aguirre, L. C.; Pato Doldán, B.; Yáñez-Vilar, S.; Artiaga, R.; Llamas-Saiz, A. L.; Manna, R. S.; Schnelle, F.; Lang, M.; Ritter, F.; Haghighirad, A. A.; Señarís-Rodríguez, M. A.","First-order structural transition in the multiferroic perovskite-like formate [(CH3)2NH2][Mn(HCOO)3]","CrystEngComm","2014","16","17","3558","","10.1039/c3ce42411a","","","0.71073","MoKα","","0.0426","0.0371","","","0.1036","0.1066","","","","","","1.2","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215073","7.1628","0.0004","7.9091","0.0004","10.2589","0.0004","91.372","0.004","101.829","0.004","102.587","0.005","553.73","0.05","101.893","0.002","101.829","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Eu N3 O7 -","- C9 H6 Eu N3 O7 -","- C18 H12 Eu2 N6 O14 -","2","1","","Ahmad, Waqar; Zhang, Lijuan; Zhou, Yunshan","2-D lanthanide‒organic complexes constructed from 6,7-dihydropyrido(2,3-d)pyridazine-5,8-dione: synthesis, characterization and photoluminescence for sensing small molecules","CrystEngComm","2014","16","17","3521","","10.1039/c3ce42575d","","","0.71073","MoKα","","0.022","0.02","","","0.0426","0.0432","","","","","","1.042","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215074","7.1205","0.0003","7.8366","0.0005","10.2949","0.0006","91.199","0.005","102.326","0.004","102.157","0.004","547.33","0.05","102.2","","102.2","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 N3 O7 Tb -","- C9 H6 N3 O7 Tb -","- C18 H12 N6 O14 Tb2 -","2","1","","Ahmad, Waqar; Zhang, Lijuan; Zhou, Yunshan","2-D lanthanide‒organic complexes constructed from 6,7-dihydropyrido(2,3-d)pyridazine-5,8-dione: synthesis, characterization and photoluminescence for sensing small molecules","CrystEngComm","2014","16","17","3521","","10.1039/c3ce42575d","","","0.7107","MoKα","","0.0331","0.0305","","","0.0672","0.069","","","","","","1.043","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215075","10.7697","0.0011","10.158","0.0008","29.054","0.003","90","","91.111","0.004","90","","3177.9","0.5","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 I2 N4 S2 Zn -","- C8 H12 I2 N4 S2 Zn -","- C64 H96 I16 N32 S16 Zn8 -","8","2","","Isaia, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Garau, Alessandra; Jones, Peter G.; Lippolis, Vito; Montis, Riccardo","Reactivity of the drug methimazole and its iodine adduct with elemental zinc","CrystEngComm","2014","16","17","3613","","10.1039/c3ce42601g","","","0.71073","MoKα","","0.0234","0.0181","","","0.0395","0.0412","","","","","","1.058","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215192","13.7574","0.0009","11.2371","0.0008","19.0368","0.0012","90","","95.529","0.002","90","","2929.3","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Ag2 F6 N4 O9 S2 -","- C24 H18 Ag2 F6 N4 O9 S2 -","- C96 H72 Ag8 F24 N16 O36 S8 -","4","0.5","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0204","0.0199","","","0.0522","0.0525","","","","","","1.146","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215193","12.4586","0.0005","9.8846","0.0004","21.2874","0.0009","90","","102.794","0.0018","90","","2556.43","0.18","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Ag2 Cl2 N4 O11 -","- C22 H18 Ag2 Cl2 N4 O11 -","- C88 H72 Ag8 Cl8 N16 O44 -","4","0.5","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0367","0.0285","","","0.0923","0.1269","","","","","","1.209","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215194","7.5345","0.0003","19.1191","0.001","23.0434","0.0011","90","","92.045","0.001","90","","3317.4","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Ag2 Cl2 N7 O11 -","- C28 H27 Ag2 Cl2 N7 O11 -","- C112 H108 Ag8 Cl8 N28 O44 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71073","MoKα","","0.062","0.0495","","","0.1094","0.1157","","","","","","1.069","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215195","7.8231","0.0005","18.8411","0.0011","22.8612","0.0013","90","","90.874","0.003","90","","3369.3","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Ag2 Cl2 N7 O10 -","- C28 H25 Ag2 Cl2 N7 O10 -","- C112 H100 Ag8 Cl8 N28 O40 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0838","0.0687","","","0.1704","0.1792","","","","","","1.066","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215196","7.989","0.0005","22.9536","0.0015","20.1547","0.0015","90","","91.046","0.003","90","","3695.3","0.4","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Ag2 F12 N8 O2 P2 -","- C30 H25 Ag2 F12 N8 O2 P2 -","- C120 H100 Ag8 F48 N32 O8 P8 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71073","MoKα","","0.0874","0.0694","","","0.2074","0.2414","","","","","","1.149","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215197","27.5782","0.0015","10.6328","0.0005","18.6286","0.0009","90","","117.517","0.0017","90","","4844.6","0.4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H34 Ag2 F6 N8 O11 S2 -","- C46 H34 Ag2 F6 N8 O11 S2 -","- C184 H136 Ag8 F24 N32 O44 S8 -","4","0.5","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0631","0.0596","","","0.1349","0.1368","","","","","","1.15","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215198","11.02","0.011","18.3216","0.0017","10.7558","0.001","90","","93.782","0.004","90","","2167","2","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Ag B F4 N4 O2 -","- C22 H16 Ag B F4 N4 O2 -","- C88 H64 Ag4 B4 F16 N16 O8 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71073","MoKα","","0.0263","0.0221","","","0.0502","0.0559","","","","","","1.083","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215199","11.0709","0.0007","18.5174","0.0012","11.6388","0.0008","90","","96.473","0.003","90","","2370.8","0.3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Ag F6 N4 O2 P -","- C22 H16 Ag F6 N4 O2 P -","- C88 H64 Ag4 F24 N16 O8 P4 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0368","0.034","","","0.0832","0.0846","","","","","","1.145","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215200","10.95","0.007","11.1081","0.0007","12.1273","0.0009","85.248","0.002","86.205","0.003","83.68","0.003","1458.7","0.9","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Ag F6 N6 O2 P -","- C26 H22 Ag F6 N6 O2 P -","- C52 H44 Ag2 F12 N12 O4 P2 -","2","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0515","0.0446","","","0.1202","0.1247","","","","","","1.082","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215201","17.4704","0.0016","28.935","0.002","8.6998","0.0007","90","","113.244","0.002","90","","4040.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H38 Cd N8 O6 P2 -","- C32 H38 Cd N8 O6 P2 -","- C128 H152 Cd4 N32 O24 P8 -","4","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0813","0.0533","","","0.1245","0.1369","","","","","","1.008","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215202","10.2738","0.0002","20.8895","0.0005","19.9247","0.0005","90","","97.822","0.002","90","","4236.34","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 Co N6 O14 P2 -","- C33 H33 Co N6 O14 P2 -","- C132 H132 Co4 N24 O56 P8 -","4","1","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.1243","0.0677","","","0.1678","0.1988","","","","","","1.027","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215203","21.757","0.0003","14.2474","0.0002","14.6058","0.0002","90","","118.16","0.001","90","","3991.61","0.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Cd N6 O8 P2 -","- C33 H34 Cd N6 O8 P2 -","- C132 H136 Cd4 N24 O32 P8 -","4","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0497","0.0376","","","0.1003","0.1051","","","","","","1.049","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215204","21.531","0.0004","14.105","0.0002","14.541","0.0002","90","","117.432","0.001","90","","3919.48","0.11","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Co N6 O8 P2 -","- C33 H34 Co N6 O8 P2 -","- C132 H136 Co4 N24 O32 P8 -","4","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0738","0.0532","","","0.1408","0.15","","","","","","1.062","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215205","21.6074","0.0006","14.0197","0.0004","14.471","0.0004","90","","117.832","0.002","90","","3876.6","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Cu N6 O8 P2 -","- C33 H34 Cu N6 O8 P2 -","- C132 H136 Cu4 N24 O32 P8 -","4","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.1212","0.064","","","0.1284","0.1452","","","","","","0.995","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215206","7.6515","0.0002","8.0147","0.0002","9.3307","0.0002","71.162","0.002","67.62","0.002","84.036","0.002","500.64","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 O6 P2 -","- C18 H24 O6 P2 -","- C18 H24 O6 P2 -","1","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0854","0.0518","","","0.1208","0.1383","","","","","","1.042","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215207","15.8384","0.0008","8.4589","0.0005","17.7369","0.0011","90","","96.493","0.002","90","","2361.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 O6 P2 -","- C22 H32 O6 P2 -","- C88 H128 O24 P8 -","4","1","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.1295","0.0578","","","0.1142","0.1422","","","","","","1","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215208","8.9485","0.0004","13.0362","0.0006","13.095","0.0006","82.837","0.001","71.006","0.001","87.486","0.001","1433.13","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H34 Cd N4 O8 P2 -","- C25 H34 Cd N4 O8 P2 -","- C50 H68 Cd2 N8 O16 P4 -","2","1","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0326","0.0272","","","0.0709","0.0747","","","","","","1.035","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215209","21.576","0.0004","21.576","0.0004","8.9043","0.0004","90","","90","","120","","3589.82","0.19","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C3 H6 Cu N4 O4 -","- C3 H6 Cu N4 O4 -","- C54 H108 Cu18 N72 O72 -","18","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Lu, Kai-Hsiang","Impeller-like dodecameric water clusters in metal‒organic nanotubes","CrystEngComm","2014","16","25","5516","","10.1039/c3ce42087f","","","0.71073","MoKα","","0.0472","0.0359","","","0.1044","0.1117","","","","","","1.067","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215210","24.636","0.003","9.2458","0.0013","22.123","0.003","90","","90","","90","","5039.2","1.2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Coordination Polymer","","","- C20 H22 N8 O7 S3 Zn -","- C20 H22 N8 O7 S3 Zn -","- C160 H176 N64 O56 S24 Zn8 -","8","1","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.0495","0.042","","","0.1071","0.1141","","","","","","1.043","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215211","24.729","0.005","9.3762","0.0019","22.271","0.005","90","","90","","90","","5163.8","1.9","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Coordination Polymer","","","- C20 H22 Mn N8 O7 S3 -","- C20 H22 Mn N8 O7 S3 -","- C160 H176 Mn8 N64 O56 S24 -","8","1","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.077","0.0481","","","0.1106","0.1308","","","","","","1.042","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215212","6.9658","0.0007","18.5806","0.0019","21.667","0.002","90","","90","","90","","2804.3","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Coordination Polymer","","","- C10 H8 Cd N4 O6 S2 -","- C10 H8 Cd N4 O6 S2 -","- C80 H64 Cd8 N32 O48 S16 -","8","1","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.0599","0.0484","","","0.1143","0.1316","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215213","17.867","0.004","13.437","0.003","12.678","0.003","90","","92.95","0.03","90","","3039.7","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","coordination Polymer","","","- C20 H16 Co N8 O4 S3 -","- C20 H16 Co N8 O4 S3 -","- C80 H64 Co4 N32 O16 S12 -","4","0.5","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.0602","0.0493","","","0.1352","0.1659","","","","","","1.162","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215214","17.711","0.004","13.498","0.003","12.67","0.003","90","","92.83","0.03","90","","3025.2","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","coordination Polymer","","","- C20 H16 N8 Ni O4 S3 -","- C20 H16 N8 Ni O4 S3 -","- C80 H64 N32 Ni4 O16 S12 -","4","0.5","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.0691","0.0522","","","0.1496","0.1668","","","","","","1.127","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215215","17.537","0.004","12.938","0.003","13.328","0.003","90","","93.78","0.03","90","","3017.5","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","coordination Polymer","","","- C20 H16 Cu N8 O4 S3 -","- C20 H16 Cu N8 O4 S3 -","- C80 H64 Cu4 N32 O16 S12 -","4","0.5","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.075","0.0548","","","0.1456","0.176","","","","","","1.128","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215216","11.274","0.002","8.2761","0.0017","27.958","0.006","90","","95.47","0.03","90","","2596.7","0.9","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 N S4 -","- C13 H7 N S4 -","- C104 H56 N8 S32 -","8","2","","Hayward, John J.; Gumbau-Brisa, Roger; Alberola, Antonio; Clarke, Caroline S.; Rawson, Jeremy M.; Pilkington, Melanie","An unusual single-crystal-to-single-crystal [2 + 2] photocyclisation reaction of a TTF-arylnitrile derivative","CrystEngComm","2014","16","31","7268","","10.1039/C4CE00346B","","","0.71073","MoKα","","0.1039","0.0869","","","0.1718","0.1787","","","","","","1.26","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215217","11.119","0.002","8.3345","0.0017","28.069","0.006","90","","95.85","0.03","90","","2587.6","0.9","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 N2 S8 -","- C26 H14 N2 S8 -","- C104 H56 N8 S32 -","4","1","","Hayward, John J.; Gumbau-Brisa, Roger; Alberola, Antonio; Clarke, Caroline S.; Rawson, Jeremy M.; Pilkington, Melanie","An unusual single-crystal-to-single-crystal [2 + 2] photocyclisation reaction of a TTF-arylnitrile derivative","CrystEngComm","2014","16","31","7268","","10.1039/C4CE00346B","","","0.71073","MoKα","","0.0491","0.0365","","","0.0745","0.0789","","","","","","1.076","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215218","3.9337","0.0004","11.3951","0.0009","27.644","0.002","90","","91.393","0.005","90","","1238.77","0.18","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N2 S4 -","- C12 H6 N2 S4 -","- C48 H24 N8 S16 -","4","1","","Hayward, John J.; Gumbau-Brisa, Roger; Alberola, Antonio; Clarke, Caroline S.; Rawson, Jeremy M.; Pilkington, Melanie","An unusual single-crystal-to-single-crystal [2 + 2] photocyclisation reaction of a TTF-arylnitrile derivative","CrystEngComm","2014","16","31","7268","","10.1039/C4CE00346B","","","0.71073","MoKα","","0.0959","0.0849","","","0.2579","0.2704","","","","","","1.148","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215219","4.984","0.004","7.525","0.005","31.24","0.02","90","","92.611","0.01","90","","1170.4","1.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0774","0.0471","","","0.0986","0.1124","","","","","","1.054","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215220","5.0871","0.0013","7.5857","0.0019","26.719","0.007","90","","90","","90","","1031.1","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0563","0.0477","","","0.1128","0.1176","","","","","","1.051","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215221","5.0077","0.0009","30.877","0.006","7.4685","0.0014","90","","90.117","0.002","90","","1154.8","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","2","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0616","0.0603","","","0.1569","0.1578","","","","","","1.104","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215222","14.756","0.01","14.756","0.01","4.819","0.004","90","","90","","120","","908.7","1.2","150","2","150","2","","","","","","","","3","P 32","P 32","145","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C36 H54 O9 -","3","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0707","0.0517","","","0.1213","0.13","","","","","","1.053","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215223","16.149","0.002","17.459","0.002","8.1259","0.001","90","","90","","90","","2291.1","0.5","150","2","150","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","2","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0654","0.0434","","","0.1008","0.1143","","","","","","1.015","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215224","15.383","0.0019","20.014","0.003","7.6027","0.0011","90","","90","","90","","2340.7","0.6","150","2","150","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0662","0.0468","","","0.099","0.1084","","","","","","1.057","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215225","18.8266","0.0005","18.8266","0.0005","25.4638","0.0017","90","","90","","90","","9025.4","0.7","173","","173","","","","","","","","","7","P 42/m n m","-P 4n 2n","136","","","","- C128 H201 Cl Mn4 N56 O24 Si2 -","- C56 H32 Cl Mn4 N32 O4 Si2 -","- C112 H64 Cl2 Mn8 N64 O8 Si4 -","2","0.125","","Timokhin, I.; White, A. J. P.; Lickiss, P. D.; Pettinari, C.; Davies, R. P.","Microporous metal‒organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors","CrystEngComm","2014","","","","","10.1039/c4ce00486h","","","1.54184","CuKα","","0.1311","0.0841","","","0.2599","0.2943","","","","","","1.029","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215226","36.7051","0.0015","36.7051","0.0015","36.7051","0.0015","90","","90","","90","","49451","4","173","","173","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C124 H240 Mn2 N48 O32 Si -","- C28 H16 Mn2 N16 O4 Si -","- C672 H384 Mn48 N384 O96 Si24 -","24","0.25","","Timokhin, I.; White, A. J. P.; Lickiss, P. D.; Pettinari, C.; Davies, R. P.","Microporous metal‒organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors","CrystEngComm","2014","","","","","10.1039/c4ce00486h","","","1.54184","CuKα","","0.2798","0.1447","","","0.3462","0.4057","","","","","","0.906","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215227","36.97447","0.00015","36.97447","0.00015","36.97447","0.00015","90","","90","","90","","50548.2","0.4","173","","173","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C88 H156 Cd2 N36 O20 Si -","- C40 H44 Cd2 N20 O4 Si -","- C960 H1056 Cd48 N480 O96 Si24 -","24","0.25","","Timokhin, I.; White, A. J. P.; Lickiss, P. D.; Pettinari, C.; Davies, R. P.","Microporous metal‒organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors","CrystEngComm","2014","","","","","10.1039/c4ce00486h","","","1.54184","CuKα","","0.0601","0.0528","","","0.1293","0.1348","","","","","","1.063","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215228","36.1906","0.0018","36.1906","0.0018","36.1906","0.0018","90","","90","","90","","47401","4","100","2","100","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C28 H16 Cu2 N16 O4 Si -","- C28 H16 Cu2 N16 O4 Si -","- C672 H384 Cu48 N384 O96 Si24 -","24","0.25","","Timokhin, I.; White, A. J. P.; Lickiss, P. D.; Pettinari, C.; Davies, R. P.","Microporous metal‒organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors","CrystEngComm","2014","","","","","10.1039/c4ce00486h","","","0.71075","MoKα","","0.2228","0.1359","","","0.371","0.4402","","","","","","1.107","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215229","11.0667","0.0005","13.6645","0.0006","16.468","0.0006","73.484","0.004","86.016","0.003","72.07","0.004","2271.16","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","TBT-1","","","- C56 H47 B F2 N4 O -","- C56 H47 B F2 N4 O -","- C112 H94 B2 F4 N8 O2 -","2","1","","Singh, Saumya; Venugopalan, Vijay; Krishnamoorthy, Kothandam","Organic soluble and uniform film forming oligoethylene glycol substituted BODIPY small molecules with improved hole mobility.","Physical chemistry chemical physics : PCCP","2014","16","26","13376","13382","10.1039/c4cp01098a","","","0.71073","MoKα","","0.1661","0.0743","","","0.158","0.1993","","","","","","1.034","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215230","12.761","0.003","14.961","0.003","17.532","0.006","90","","132.259","0.019","90","","2477.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cd N4 O4 -","- C27 H24 Cd N4 O4 -","- C108 H96 Cd4 N16 O16 -","4","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0476","0.0411","","","0.1337","0.1413","","","","","","1.002","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215231","9.4806","0.0019","18.127","0.004","18.693","0.004","61.88","0.03","83.98","0.03","86.35","0.03","2817.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 N8 O18 Zn3 -","- C56 H46 N8 O18 Zn3 -","- C112 H92 N16 O36 Zn6 -","2","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0782","0.0643","","","0.1982","0.2129","","","","","","1.032","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215232","12.156","0.002","18.59","0.004","21.024","0.004","74.05","0.03","75.94","0.03","75.58","0.03","4345.8","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H74 Cd3 N12 O16 -","- C75 H66 Cd3 N12 O13 -","- C150 H132 Cd6 N24 O26 -","2","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0911","0.0685","","","0.195","0.2142","","","","","","0.999","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215233","11.65","0.002","15.49","0.003","17.108","0.006","90","","115.37","0.02","90","","2789.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N4 O8 Zn2 -","- C28 H23 N4 O8 Zn2 -","- C112 H92 N16 O32 Zn8 -","4","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0929","0.0824","","","0.3068","0.3213","","","","","","1.05","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215234","9.4698","0.0019","11.079","0.002","11.161","0.002","77.45","0.03","78.01","0.03","85.11","0.03","1117.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cd N4 O4 -","- C24 H21 Cd N4 O4 -","- C48 H42 Cd2 N8 O8 -","2","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0746","0.0567","","","0.1407","0.1635","","","","","","0.959","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215235","12.005","0.002","18.834","0.004","16.723","0.006","90","","123.27","0.02","90","","3161.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 Cd N4 O8 S -","- C33 H28 Cd N4 O8 S -","- C132 H112 Cd4 N16 O32 S4 -","4","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0448","0.0419","","","0.1658","0.1716","","","","","","0.999","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215236","10.591","0.002","14.358","0.003","14.998","0.003","71.38","0.03","82.17","0.03","85.58","0.03","2139.8","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H33 Ag3 Cl3 N7 -","- C47 H33 Ag3 Cl3 N7 -","- C94 H66 Ag6 Cl6 N14 -","2","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0424","0.0356","","","0.0823","0.0865","","","","","","1.11","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215237","9.6655","0.0009","20.3062","0.0016","24.3648","0.0019","90","","90","","90","","4782.1","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H34 Ag3 Cl7 N6 -","- C47 H34 Ag3 Cl7 N6 -","- C188 H136 Ag12 Cl28 N24 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.1014","0.0631","","","0.099","0.1159","","","","","","1.041","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215238","9.681","0.002","20.34","0.005","23.673","0.005","90","","90","","90","","4661.5","1.8","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H35 Ag3 Cl3 N7 -","- C52 H35 Ag3 Cl3 N7 -","- C208 H140 Ag12 Cl12 N28 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0807","0.061","","","0.0679","0.0731","","","","","","1.074","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215239","14.337","0.003","29.013","0.006","10.568","0.002","90","","100.72","0.03","90","","4319.1","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 Ag3 I3 N6 -","- C45 H30 Ag3 I3 N6 -","- C180 H120 Ag12 I12 N24 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0869","0.0615","","","0.1263","0.1428","","","","","","1.191","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215240","14.6187","0.0003","16.8833","0.0005","18.7304","0.0005","109.403","0.003","97.433","0.002","92.184","0.002","4307.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48.5 H39.5 Ag3 Cl1.5 N6 -","- C48.5 H39.5 Ag3 Cl1.5 N6 -","- C194 H158 Ag12 Cl6 N24 -","4","2","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","1.54178","CuKα","","0.0441","0.037","","","0.0918","0.0975","","","","","","1.02","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215241","29.9358","0.0006","17.05","0.0004","17.3679","0.0006","90","","98.081","0.002","90","","8776.6","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 Au3 Cl5 N6 -","- C46 H32 Au3 Cl5 N6 -","- C368 H256 Au24 Cl40 N48 -","8","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0681","0.041","","","0.06","0.067","","","","","","0.991","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215242","14.567","0.003","28.956","0.006","10.803","0.002","90","","102.74","0.03","90","","4444.5","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 Au3 I3 N6 -","- C45 H30 Au3 I3 N6 -","- C180 H120 Au12 I12 N24 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.1134","0.0938","","","0.2154","0.2296","","","","","","1.237","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215243","7.151","0.0001","24.8988","0.0004","28.6097","0.0004","90","","93.406","0.001","90","","5085","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ROD-8","","","- C49 H37 Cd2 N O12 -","- C47 H33 Cd2 N O11 -","- C188 H132 Cd8 N4 O44 -","4","1","","Li, Ru-Jin; Li, Mian; Zhou, Xiao-Ping; Ng, Seik Weng; O'Keeffe, Michael; Li, Dan","ROD-8, a rod MOF with a pyrene-cored tetracarboxylate linker: framework disorder, derived nets and selective gas adsorption","CrystEngComm","2014","16","28","6291","","10.1039/c4ce00279b","","","1.54178","CuKα","","0.0887","0.0523","","","0.1249","0.1429","","","","","","1.06","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215244","9.2826","0.001","19.692","0.002","13.6649","0.0015","90","","108.704","0.005","90","","2365.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BPTE Succinic Acid","1-(4-pyridyl)-2-(3-thienyl)ethylene butanedioic acid","","- C26 H24 N2 O4 S2 -","- C26 H24 N2 O4 S2 -","- C104 H96 N8 O16 S8 -","4","1","","Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.","Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon","CrystEngComm","2014","16","26","5762","","10.1039/c4ce00481g","","","0.71073","MoKα","","0.1029","0.0591","","","0.1319","0.1523","","","","","","1.041","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215245","11.6886","0.0012","15.1755","0.0015","12.1662","0.0012","90","","117.334","0.005","90","","1917.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4p3tc","rctt-1,3-bis(4-pyridyl)-2,4-bis(3-thienyl) cyclobutane","","- C22 H18 N2 S2 -","- C22 H18 N2 S2 -","- C88 H72 N8 S8 -","4","1","","Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.","Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon","CrystEngComm","2014","16","26","5762","","10.1039/c4ce00481g","","","0.71073","MoKα","","0.0822","0.0443","","","0.1052","0.1268","","","","","","1.037","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215246","15.935","0.0016","7.3782","0.0007","21.823","0.003","90","","100.382","0.005","90","","2523.8","0.5","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BPTE Glutaric Acid","1-(4-pyridyl)-2-(3-thienyl)ethylene pentanedioic acid","","- C27 H26 N2 O4 S2 -","- C27 H26 N2 O4 S2 -","- C108 H104 N8 O16 S8 -","4","1","","Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.","Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon","CrystEngComm","2014","16","26","5762","","10.1039/c4ce00481g","","","0.71073","MoKα","","0.0564","0.0408","","","0.096","0.1041","","","","","","1.055","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215247","5.6534","0.0006","8.1587","0.0008","18.996","0.002","83.851","0.005","83.879","0.005","74.142","0.005","835.24","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","BPTE Adipic Acid","1-(4-pyridyl)-2-(3-thienyl)ethylene hexanedioic acid","","- C17 H19 N O4 S -","- C17 H19 N O4 S -","- C34 H38 N2 O8 S2 -","2","1","","Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.","Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon","CrystEngComm","2014","16","26","5762","","10.1039/c4ce00481g","","","0.71073","MoKα","","0.1643","0.061","","","0.1012","0.1279","","","","","","0.967","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215248","23.1286","0.0007","9.4276","0.0003","23.3606","0.0007","90","","93.1691","0.0016","90","","5085.9","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 F3 I3 P Se -","- C24 H15 F3 I3 P Se -","- C192 H120 F24 I24 P8 Se8 -","8","2","","Viger-Gravel, Jasmine; Meyer, Julia E.; Korobkov, Ilia; Bryce, David L.","Probing halogen bonds with solid-state NMR spectroscopy: observation and interpretation of J(77Se,31P) coupling in halogen-bonded PSe⋯I motifs","CrystEngComm","2014","16","31","7285","","10.1039/C4CE00345D","","","0.71073","MoKα","","0.0379","0.0287","","","0.0641","0.0681","","","","","","1.017","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7215249","13.7022","0.0003","12.7689","0.0003","13.9386","0.0003","90","","101.214","0.001","90","","2392.16","0.09","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 F4 I2 P Se -","- C24 H15 F4 I2 P Se -","- C96 H60 F16 I8 P4 Se4 -","4","1","","Viger-Gravel, Jasmine; Meyer, Julia E.; Korobkov, Ilia; Bryce, David L.","Probing halogen bonds with solid-state NMR spectroscopy: observation and interpretation of J(77Se,31P) coupling in halogen-bonded PSe⋯I motifs","CrystEngComm","2014","16","31","7285","","10.1039/C4CE00345D","","","0.71073","MoKα","","0.0179","0.0164","","","0.0416","0.0424","","","","","","1.049","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215250","12.243","0.0003","12.0173","0.0002","19.2931","0.0004","90","","101.549","0.001","90","","2781.08","0.1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Br F3 N4 O7 Re S -","- C26 H17 Br F3 N4 O7 Re S -","- C104 H68 Br4 F12 N16 O28 Re4 S4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0551","0.041","","","0.0933","0.1005","","","","","","1.054","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215251","8.5187","0.0003","11.9891","0.0004","13.4341","0.0004","77.04","0.002","89.004","0.002","84.019","0.002","1329.79","0.08","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H17 F4 N4 O7 Re S -","- C26 H17 F4 N4 O7 Re S -","- C52 H34 F8 N8 O14 Re2 S2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.047","0.0403","","","0.097","0.1017","","","","","","1.043","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215252","10.0523","0.0002","11.6515","0.0004","13.0988","0.0004","69.74","0.001","78.794","0.002","82.263","0.002","1408.05","0.07","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H17 F3 I N4 O7 Re S -","- C26 H17 F3 I N4 O7 Re S -","- C52 H34 F6 I2 N8 O14 Re2 S2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0375","0.0324","","","0.0716","0.0744","","","","","","1.046","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215253","20.461","0.0003","8.9968","0.0001","31.6923","0.0004","90","","104.268","0.001","90","","5654.07","0.13","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Br F3 N4 O7 Re S -","- C26 H17 Br F3 N4 O7 Re S -","- C208 H136 Br8 F24 N32 O56 Re8 S8 -","8","2","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0564","0.0462","","","0.0886","0.0921","","","","","","1.156","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215254","10.8109","0.0004","11.2437","0.0004","13.6707","0.0005","109.009","0.002","91.179","0.002","117.018","0.002","1371.34","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H17 Cl F3 N4 O7 Re S -","- C26 H17 Cl F3 N4 O7 Re S -","- C52 H34 Cl2 F6 N8 O14 Re2 S2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0872","0.059","","","0.1118","0.1228","","","","","","1.053","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215255","8.3032","0.0003","18.0645","0.0005","18.8024","0.0007","90","","96.999","0.001","90","","2799.22","0.16","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 F4 N4 O7 Re S -","- C26 H17 F4 N4 O7 Re S -","- C104 H68 F16 N16 O28 Re4 S4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.1082","0.0572","","","0.0935","0.1096","","","","","","1.042","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215256","9.305","0.0003","18.728","0.0008","17.282","0.0006","90","","101.354","0.002","90","","2952.69","0.19","294","2","294","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 F3 I N4 O7 Re S -","- C26 H17 F3 I N4 O7 Re S -","- C104 H68 F12 I4 N16 O28 Re4 S4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.1073","0.0607","","","0.1403","0.1706","","","","","","1.055","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215257","8.563","0.0008","20.396","0.002","16.227","0.0018","90","","94.112","0.007","90","","2826.8","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 F3 I N4 O7 Re S -","- C26 H17 F3 I N4 O7 Re S -","- C104 H68 F12 I4 N16 O28 Re4 S4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.1056","0.0732","","","0.1676","0.1852","","","","","","1.051","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215258","11.4748","0.0007","26.9371","0.0018","23.6378","0.0013","90","","96.295","0.003","90","","7262.3","0.8","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 F6 N10 O15 Re2 S2 -","- C58 H45 F6 N10 O15 Re2 S2 -","- C232 H180 F24 N40 O60 Re8 S8 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.1783","0.0897","","","0.2165","0.2757","","","","","","1.058","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215259","12.1162","0.001","27.444","0.003","19.0654","0.0016","90","","99.666","0.004","90","","6249.6","1","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C54 H42 F6 N8 O15 Re2 S2 -","- C54 H40 F6 N8 O15 Re2 S2 -","- C216 H160 F24 N32 O60 Re8 S8 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.2588","0.1206","","","0.23","0.2559","","","","","","0.775","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215260","12.8722","0.0004","4.9256","0.0002","17.571","0.0005","90","","104.327","0.002","90","","1079.41","0.06","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C48 H36 Br4 N8 O4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0442","0.0355","","","0.0815","0.0861","","","","","","1.031","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215261","10.8408","0.0005","21.2412","0.0011","4.8537","0.0002","90","","90","","90","","1117.67","0.09","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H9 I N2 O -","- C12 H9 I N2 O -","- C48 H36 I4 N8 O4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0431","0.0341","","","0.0731","0.0782","","","","","","1.054","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215262","10.512","0.0012","4.8327","0.0006","21.187","0.002","90","","101.264","0.007","90","","1055.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.2443","0.0919","","","0.146","0.192","","","","","","0.979","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215263","9.8494","0.0018","3.8718","0.0007","13.972","0.002","90","","96.018","0.01","90","","529.88","0.16","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C24 H18 Br2 N4 O2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0908","0.0806","","","0.1669","0.1746","","","","","","1.163","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215264","17.4918","0.0003","10.4582","0.0002","14.8252","0.0003","90","","97.197","0.001","90","","2690.65","0.09","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Co N6 O2 -","- C33 H27 Co N6 O2 -","- C132 H108 Co4 N24 O8 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0365","0.0326","","","0.0866","0.0899","","","","","","0.897","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215265","10.0207","0.0001","10.1954","0.0001","15.5113","0.0002","106.449","0.001","92.122","0.001","103.141","0.001","1471.3","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H21 Co F6 N6 O2 -","- C33 H21 Co F6 N6 O2 -","- C66 H42 Co2 F12 N12 O4 -","2","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0654","0.0463","","","0.113","0.124","","","","","","1.04","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215266","13.2927","0.0015","14.5956","0.0016","17.1232","0.0017","90","","90","","90","","3322.2","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 Co N6 O3 -","- C37 H35 Co N6 O3 -","- C148 H140 Co4 N24 O12 -","4","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0735","0.0416","","","0.0991","0.1147","","","","","","1.039","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215267","13.3859","0.0005","13.508","0.0005","17.1308","0.0007","90","","96.215","0.002","90","","3079.3","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H21 Co F6 N6 O2 -","- C33 H21 Co F6 N6 O2 -","- C132 H84 Co4 F24 N24 O8 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0743","0.0598","","","0.1441","0.1569","","","","","","1.043","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215268","9.4261","0.0002","13.4558","0.0002","13.9409","0.0002","106.57","0.001","106.717","0.001","98.302","0.001","1573","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H62 Cd Cl2 Co2 N12 O6 -","- C68 H62 Cd Cl2 Co2 N12 O6 -","- C68 H62 Cd Cl2 Co2 N12 O6 -","1","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0389","0.0322","","","0.0841","0.0885","","","","","","1.057","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215269","8.7796","0.0004","16.0109","0.0007","25.1541","0.0011","83.011","0.002","82.318","0.002","79.518","0.002","3428.4","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H49 Cd Cl2 Co2 F12 N13 O5 -","- C69 H49 Cd Cl2 Co2 F12 N13 O5 -","- C138 H98 Cd2 Cl4 Co4 F24 N26 O10 -","2","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.1146","0.0788","","","0.1975","0.2165","","","","","","1.103","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215270","21.3913","0.0005","14.0119","0.0003","26.0194","0.0007","90","","97.703","0.001","90","","7728.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H61 Cd Cl2 Co2 N13 O5 -","- C69 H61 Cd Cl2 Co2 N13 O5 -","- C276 H244 Cd4 Cl8 Co8 N52 O20 -","4","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.098","0.0592","","","0.1615","0.175","","","","","","1.032","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215271","23.1158","0.0007","25.2786","0.0008","15.2033","0.0005","90","","100.685","0.001","90","","8729.8","0.5","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cd Cl2 Co2 F12 N12 O4 -","- C66 H42 Cd Cl2 Co2 F12 N12 O4 -","- C264 H168 Cd4 Cl8 Co8 F48 N48 O16 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0554","0.0402","","","0.1182","0.1231","","","","","","1.129","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215272","12.1312","0.0006","17.8056","0.0008","22.2981","0.001","102.464","0.002","105.322","0.002","94.702","0.002","4486.1","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C166 H194 Br10 Cd5 Co4 N34 O22 -","- C166 H194 Br10 Cd5 Co4 N34 O22 -","- C166 H194 Br10 Cd5 Co4 N34 O22 -","1","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.1093","0.0529","","","0.1216","0.1409","","","","","","1.039","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215273","11.3197","0.0005","16.7537","0.0009","24.2708","0.0013","99.224","0.002","102.917","0.002","94.544","0.002","4396.6","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H146 Cd5 Cl10 Co4 F24 N26 O16 -","- C156 H146 Cd5 Cl10 Co4 F24 N26 O16 -","- C156 H146 Cd5 Cl10 Co4 F24 N26 O16 -","1","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0877","0.0606","","","0.1524","0.1615","","","","","","1.048","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215274","3.93012","0.00002","3.93012","0.00002","20.4479","0.0002","90","","90","","90","","315.835","0.004","1073","","1073","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe2 La0.54 O6.64 Sr2.46 -","- Fe2 La0.54 O6.64 Sr2.46 -","- Fe4 La1.08 O13.28 Sr4.92 -","2","0.0625","","Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier","Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).","Physical chemistry chemical physics : PCCP","2014","16","22","10875","10882","10.1039/c4cp00736k","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.13","","","","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215275","3.87762","0.00002","3.87762","0.00002","20.2102","0.0001","90","","90","","90","","303.879","0.003","298","","298","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe2 La0.54 O7 Sr2.46 -","- Fe2 La0.54 O7 Sr2.46 -","- Fe4 La1.08 O14 Sr4.92 -","2","0.0625","","Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier","Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).","Physical chemistry chemical physics : PCCP","2014","16","22","10875","10882","10.1039/c4cp00736k","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.21","","","","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215276","3.91937","0.00002","3.91937","0.00002","20.4121","0.0002","90","","90","","90","","313.56","0.004","973","","973","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe2 La0.54 O6.74 Sr2.46 -","- Fe2 La0.54 O6.74 Sr2.46 -","- Fe4 La1.08 O13.48 Sr4.92 -","2","0.0625","","Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier","Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).","Physical chemistry chemical physics : PCCP","2014","16","22","10875","10882","10.1039/c4cp00736k","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.13","","","","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215277","3.89243","0.00002","3.89243","0.00002","20.3558","0.0002","90","","90","","90","","308.411","0.004","673","","673","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe2 La0.54 O7 Sr2.46 -","- Fe2 La0.54 O7 Sr2.46 -","- Fe4 La1.08 O14 Sr4.92 -","2","0.0625","","Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier","Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).","Physical chemistry chemical physics : PCCP","2014","16","22","10875","10882","10.1039/c4cp00736k","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.14","","","","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215278","3.89879","0.00002","3.89879","0.00002","20.3609","0.0002","90","","90","","90","","309.497","0.004","773","","773","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe2 La0.54 O6.94 Sr2.46 -","- Fe2 La0.54 O6.94 Sr2.46 -","- Fe4 La1.08 O13.88 Sr4.92 -","2","0.0625","","Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier","Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).","Physical chemistry chemical physics : PCCP","2014","16","22","10875","10882","10.1039/c4cp00736k","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.13","","","","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215279","3.94156","0.00002","3.94156","0.00002","20.4927","0.0002","90","","90","","90","","318.372","0.004","1173","","1173","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe2 La0.54 O6.515 Sr2.46 -","- Fe2 La0.54 O6.516 Sr2.46 -","- Fe4 La1.08 O13.032 Sr4.92 -","2","0.0625","","Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier","Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).","Physical chemistry chemical physics : PCCP","2014","16","22","10875","10882","10.1039/c4cp00736k","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.13","","","","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215280","3.90758","0.00002","3.90758","0.00002","20.379","0.0002","90","","90","","90","","311.171","0.004","873","","873","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe2 La0.54 O6.82 Sr2.46 -","- Fe2 La0.54 O6.82 Sr2.46 -","- Fe4 La1.08 O13.64 Sr4.92 -","2","0.0625","","Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier","Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).","Physical chemistry chemical physics : PCCP","2014","16","22","10875","10882","10.1039/c4cp00736k","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.13","","","","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215281","10.869","0.005","12.13","0.005","13.783","0.004","90","","117.75","0.02","90","","1608.2","1.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Mn N2 O6 -","- C14 H16 Mn N2 O6 -","- C56 H64 Mn4 N8 O24 -","4","1","","Matoga, Dariusz; Gil, Barbara; Nitek, Wojciech; Todd, Alexander D.; Bielawski, Christopher W.","Dynamic 2D manganese(ii) isonicotinate framework with reversible crystal-to-amorphous transformation and selective guest adsorption","CrystEngComm","2014","16","23","4959","","10.1039/c4ce00647j","","x-ray","1.5418","CuKα","","0.0366","0.0329","","","0.0832","0.0867","","","","","","0.901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215282","19.9588","0.0008","19.9588","0.0008","7.6768","0.0004","90","","90","","120","","2648.4","0.2","296","2","296","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","JA81","","","- C2 H5 Br Cu N S -","- C2 H5 Br Cu N S -","- C36 H90 Br18 Cu18 N18 S18 -","18","3","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0412","0.0295","","","0.0842","0.1004","","","","","","1.003","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215283","11.7896","0.0002","11.7896","0.0002","8.1509","0.0001","90","","90","","120","","981.15","0.03","296","2","296","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","JA100","","","- C2 H5 Cu I N S -","- C2 H5 Cu I N S -","- C12 H30 Cu6 I6 N6 S6 -","6","1","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0605","0.0311","","","0.0862","0.1109","","","","","","1.005","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215284","8.8371","0.0003","8.4068","0.0002","7.4343","0.0002","90","","90","","90","","552.31","0.03","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","AgTAA","","","- C2 H5 Ag Cl N S -","- C2 H5 Ag Cl N S -","- C8 H20 Ag4 Cl4 N4 S4 -","4","0.5","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0391","0.0296","","","0.072","0.0785","","","","","","1","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215285","8.9917","0.0002","8.4982","0.0002","7.7639","0.0002","90","","90","","90","","593.26","0.02","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","AgBrTAA_py","","","- C2 H5 Ag Br N S -","- C2 H5 Ag Br N S -","- C8 H20 Ag4 Br4 N4 S4 -","4","0.5","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0345","0.0285","","","0.0738","0.0767","","","","","","1","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215286","4.0277","0.0002","6.3237","0.0006","14.0649","0.0014","97.11","0.008","91.015","0.006","100.632","0.007","349.07","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 B F O2 -","- C7 H6 B F O2 -","- C14 H12 B2 F2 O4 -","2","1","","Sene, Saad; Berthomieu, Dorothée; Donnadieu, Bruno; Richeter, Sébastien; Vezzani, Joris; Granier, Dominique; Bégu, Sylvie; Mutin, Hubert; Gervais, Christel; Laurencin, Danielle","A combined experimental-computational study of benzoxaborole crystal structures","CrystEngComm","2014","16","23","4999","","10.1039/c4ce00313f","","","0.71073","MoKα","","0.048","0.037","","","0.0906","0.0975","","","","","","1.043","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215287","24.6035","0.0005","11.9649","0.0003","18.4269","0.0004","90","","114.571","0.001","90","","4933.3","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cd N8 O10 -","- C46 H38 Cd N8 O10 -","- C184 H152 Cd4 N32 O40 -","4","0.5","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.0577","0.0483","","","0.1441","0.1508","","","","","","1.087","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215288","24.665","0.002","11.9542","0.0011","17.8777","0.0018","90","","112.764","0.004","90","","4860.6","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Br2 Cd N6 O4 -","- C46 H38 Br2 Cd N6 O4 -","- C184 H152 Br8 Cd4 N24 O16 -","4","0.5","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.0562","0.0397","","","0.1292","0.1388","","","","","","0.967","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215289","25.611","0.0007","11.5667","0.0003","18.5397","0.0006","90","","114.345","0.001","90","","5003.7","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cd I2 N6 O4 -","- C46 H38 Cd I2 N6 O4 -","- C184 H152 Cd4 I8 N24 O16 -","4","0.5","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.0406","0.0311","","","0.1106","0.1178","","","","","","0.809","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215290","24.4845","0.0018","11.8901","0.0008","18.1106","0.0013","90","","114.564","0.004","90","","4795.2","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cl2 Co N6 O4 -","- C46 H38 Cl2 Co N6 O4 -","- C184 H152 Cl8 Co4 N24 O16 -","4","0.5","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.1181","0.0731","","","0.215","0.2277","","","","","","1.33","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215291","9.4682","0.0014","10.4331","0.0017","10.7425","0.0017","67.349","0.009","73.251","0.009","85.916","0.009","936.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C46 H38 N6 O4 -","2","1","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.0751","0.0457","","","0.1282","0.1539","","","","","","0.912","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215449","8.5014","0.0005","13.1428","0.0007","9.5296","0.0005","90","","94.682","0.002","90","","1061.21","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 Eu O11 -","- C6 H7 Eu O11 -","- C24 H28 Eu4 O44 -","4","1","","da Luz, Leonis L.; Lucena Viana, Bárbara F.; da Silva, Gabriel C. Oliveira; Gatto, Claudia C.; Fontes, Adriana M.; Malta, Marcos; Weber, Ingrid T.; Rodrigues, Marcelo O.; Júnior, Severino Alves","Controlling the energy transfer in lanthanide‒organic frameworks for the production of white-light emitting materials","CrystEngComm","2014","16","30","6914","","10.1039/C4CE00538D","","","0.71073","MoKα","","0.0259","0.0223","","","0.0512","0.0526","","","","","","1.065","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7215450","8.4612","0.0009","13.1272","0.0016","9.4855","0.0011","90","","94.652","0.007","90","","1050.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 Gd O11 -","- C6 H6 Gd O11 -","- C24 H24 Gd4 O44 -","4","1","","da Luz, Leonis L.; Lucena Viana, Bárbara F.; da Silva, Gabriel C. Oliveira; Gatto, Claudia C.; Fontes, Adriana M.; Malta, Marcos; Weber, Ingrid T.; Rodrigues, Marcelo O.; Júnior, Severino Alves","Controlling the energy transfer in lanthanide‒organic frameworks for the production of white-light emitting materials","CrystEngComm","2014","16","30","6914","","10.1039/C4CE00538D","","","0.71073","MoKα","","0.0201","0.0186","","","0.0453","0.0459","","","","","","1.152","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7215451","8.4548","0.0002","13.1047","0.0004","9.4885","0.0002","90","","94.439","0.001","90","","1048.15","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 O11 Tb -","- C6 H10 O11 Tb -","- C24 H40 O44 Tb4 -","4","1","","da Luz, Leonis L.; Lucena Viana, Bárbara F.; da Silva, Gabriel C. Oliveira; Gatto, Claudia C.; Fontes, Adriana M.; Malta, Marcos; Weber, Ingrid T.; Rodrigues, Marcelo O.; Júnior, Severino Alves","Controlling the energy transfer in lanthanide‒organic frameworks for the production of white-light emitting materials","CrystEngComm","2014","16","30","6914","","10.1039/C4CE00538D","","","0.71073","MoKα","","0.0317","0.0303","","","0.0777","0.0787","","","","","","1.122","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7215452","6.483","0.002","9.222","0.004","10.555","0.003","64.5","","81.417","0.004","80.98","","560.2","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Ag2 N2 O4 -","- C11 H9 Ag2 N2 O4 -","- C22 H18 Ag4 N4 O8 -","2","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0305","0.027","","","0.0651","0.0689","","","","","","1.102","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215453","8.059","0.002","10.243","0.004","17.378","0.003","98.88","","96.736","0.004","105.14","","1349.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 Ag4 N2 O8 -","- C30 H20 Ag4 N2 O8 -","- C60 H40 Ag8 N4 O16 -","2","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0546","0.0408","","","0.108","0.1134","","","","","","1.082","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215454","13.687","0.002","14.88","0.003","13.809","0.004","90","","90","","90","","2812.4","1.1","273","2","273.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H24 Ag4 N4 O8 -","- C28 H24 Ag4 N4 O8 -","- C112 H96 Ag16 N16 O32 -","4","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0824","0.06","","","0.1318","0.1496","","","","","","1","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215455","7.2517","0.0014","7.7768","0.0015","25.608","0.004","90","","90.522","0.004","90","","1444.1","0.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H44 Ag8 N12 O24 -","- C56 H44 Ag8 N12 O24 -","- C56 H44 Ag8 N12 O24 -","1","0.25","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","","","0.058","0.0395","","","","0.0978","","","","","","1.019","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215456","9.3459","0.0019","21.924","0.004","7.0573","0.0014","90","","106.11","0.03","90","","1389.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H6 Ag N O2 -","- C7 H6 Ag N O2 -","- C56 H48 Ag8 N8 O16 -","8","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0324","0.0294","","","0.0743","0.0775","","","","","","1.115","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215457","16.306","0.002","11.578","0.004","19.417","0.003","90","","90.207","0.004","90","","3665.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Ag6 N4 O17 -","- C30 H32 Ag6 N4 O17 -","- C120 H128 Ag24 N16 O68 -","4","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0361","0.0298","","","0.0748","0.0776","","","","","","1.182","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215458","14.757","0.003","20.578","0.004","13.995","0.002","90","","90.04","0.004","90","","4249.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Ag6 N6 O12 -","- C42 H36 Ag6 N6 O12 -","- C168 H144 Ag24 N24 O48 -","4","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.141","0.0818","","","0.1963","0.2676","","","","","","1.01","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215459","18.431","0.0017","18.431","0.0017","69.911","0.015","90","","90","","120","","20567","5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H8 Cu N2 O5 -","- C14 H8 Cu N2 O5 -","- C504 H288 Cu36 N72 O180 -","36","1","","Du, Liting; Yang, Shilong; Xu, Li; Min, Huihua; Zheng, Baishu","Highly selective carbon dioxide uptake by a microporous kgm-pillared metal‒organic framework with acylamide groups","CrystEngComm","2014","16","25","5520","","10.1039/c4ce00530a","","","0.71073","MoKα","","0.0744","0.0642","","","0.1905","0.1993","","","","","","1.183","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215460","11.0637","0.0009","7.2056","0.0006","22.927","0.002","90","","101.564","0.008","90","","1790.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H14 N4 S4 -","- C16 H14 N4 S4 -","- C64 H56 N16 S16 -","4","1","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.1654","0.06","","","0.0924","0.1178","","","","","","1.003","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215461","11.278","0.0012","31.812","0.003","8.79","0.004","90","","98.853","0.014","90","","3116.1","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 N7 S8 -","- C27 H23 N7 S8 -","- C108 H92 N28 S32 -","4","0.5","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.1353","0.0608","","","0.1107","0.1367","","","","","","1.047","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215462","12.283","0.0013","12.898","0.0015","22.171","0.004","80.437","0.012","87.138","0.011","89.403","0.008","3459.3","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H16 Co F12 N4 O4 S4 -","- C26 H16 Co F12 N4 O4 S4 -","- C104 H64 Co4 F48 N16 O16 S16 -","4","2","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.2174","0.0896","","","0.1577","0.2078","","","","","","1.026","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215463","21.102","0.003","21.102","0.002","15.611","0.0014","90","","90","","90","","6951.5","1.3","293","2","293","2","","","","","","","","7","P 4 c c","P 4 -2c","103","","","","- C108 H92 Cd Cl2 N28 O12 S32 -","- C108 H92 Cd Cl2 N28 O12 S32 -","- C216 H184 Cd2 Cl4 N56 O24 S64 -","2","0.25","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.0962","0.0497","","","0.086","0.103","","","","","","1.117","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215464","16.796","0.004","9.9569","0.0012","25.493","0.003","90","","103.108","0.009","90","","4152.3","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 Cd5 Cl10 N16 S16 -","- C58 H52 Cd5 Cl10 N16 S16 -","- C116 H104 Cd10 Cl20 N32 S32 -","2","0.5","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.0553","0.0372","","","0.0837","0.0896","","","","","","1.063","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215465","13.262","0.003","13.508","0.002","24.549","0.004","76.154","0.008","86.364","0.009","63.763","0.008","3825.5","1.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H56 Cl3 N3 O4 -","- C37 H56 Cl3 N3 O4 -","- C148 H224 Cl12 N12 O16 -","4","4","","Asthana, Deepak; Keshri, Sudhir K.; Hundal, Geeta; Sharma, Gyaneswar; Mukhopadhyay, Pritam","Self-assembly patterns of steroid-based all-organic ferroelectrics: valuable insights from the single-crystals derived from an organogel and solution","CrystEngComm","2014","16","22","4861","","10.1039/c4ce00013g","","","0.71073","MoKα","","0.0975","0.0628","","","0.1517","0.1753","","","","","","0.975","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215466","12.9772","0.0003","14.3714","0.0002","22.68","0.0006","73.075","0.001","79.981","0.001","69.56","0.001","3779.49","0.15","123","0.1","123","0.1","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C156 H252 N12 O20 -","- C156 H252 N12 O20 -","- C156 H252 N12 O20 -","1","1","","Asthana, Deepak; Keshri, Sudhir K.; Hundal, Geeta; Sharma, Gyaneswar; Mukhopadhyay, Pritam","Self-assembly patterns of steroid-based all-organic ferroelectrics: valuable insights from the single-crystals derived from an organogel and solution","CrystEngComm","2014","16","22","4861","","10.1039/c4ce00013g","","x-ray","0.71073","MoKα","","0.0824","0.061","","","0.13","0.1427","","","","","","1.03","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215467","7.6033","0.0002","11.4827","0.0003","11.8705","0.0004","83.186","0.001","71.662","0.002","80.423","0.002","967.59","0.05","100","2","100","2","","","","","","","Isabelle Kirby","5","P -1","-P 1","2","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C34 H44 Cl2 N10 O10 -","2","1","","Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.","Systematic experimental charge density analysis of anion receptor complexes.","Physical chemistry chemical physics : PCCP","2014","16","22","10943","10958","10.1039/c3cp54858a","","","0.71073","MoKα","","0.071","0.038","","","","0.029","","","","","","1.397","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215468","7.797","0.002","11.214","0.003","12.211","0.003","91.753","0.005","104.56","0.007","95.232","0.013","1027.5","0.5","100","2","100","2","","","","","","","Isabelle Kirby","4","P -1","-P 1","2","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium acetate","","- C19 H25 N5 O7 -","- C19 H25 N5 O7 -","- C38 H50 N10 O14 -","2","1","","Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.","Systematic experimental charge density analysis of anion receptor complexes.","Physical chemistry chemical physics : PCCP","2014","16","22","10943","10958","10.1039/c3cp54858a","","","0.71073","MoKα","","0.08","0.053","","","","0.061","","","","","","1.645","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215469","35.929","0.006","7.0153","0.0011","12.624","0.002","90","","90","","90","","3181.9","0.9","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium fluoride","","- C30 H32 F N9 O10 -","- C30 H32 F N9 O10 -","- C120 H128 F4 N36 O40 -","4","0.5","","Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.","Systematic experimental charge density analysis of anion receptor complexes.","Physical chemistry chemical physics : PCCP","2014","16","22","10943","10958","10.1039/c3cp54858a","","","0.6889","","","0.044","0.029","","","","0.038","","","","","","2.067","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215470","6.8211","0.0005","14.4139","0.0011","19.7918","0.0016","90","","90","","90","","1945.9","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,3-bis(3-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C68 H88 Cl4 N20 O20 -","4","1","","Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.","Systematic experimental charge density analysis of anion receptor complexes.","Physical chemistry chemical physics : PCCP","2014","16","22","10943","10958","10.1039/c3cp54858a","","","0.4859","","","0.071","0.038","","","","0.038","","","","","","1.173","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215471","9.602","0.003","10.807","0.003","12.433","0.004","109.859","0.005","96.598","0.003","103.537","0.0005","1152.7","0.6","100","","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-bis(3,5-dinitrophenyl)urea with tetramethylacetate","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.","Systematic experimental charge density analysis of anion receptor complexes.","Physical chemistry chemical physics : PCCP","2014","16","22","10943","10958","10.1039/c3cp54858a","","","0.6889","","","0.054","0.04","","","","0.046","","","","","","1.62","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215472","10.1249","0.0007","4.7655","0.0003","35.02","0.003","90","","93.387","0.002","90","","1686.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 O13 -","- C32 H36 O13 -","- C64 H72 O26 -","2","0.5","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.1049","0.0858","","","0.2555","0.2743","","","","","","1.081","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215473","10.125","0.006","4.993","0.003","37.33","0.02","90","","93.079","0.015","90","","1884.5","1.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 O6 -","- C18 H24 O6 -","- C72 H96 O24 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0938","0.0792","","","0.2436","0.2647","","","","","","1.161","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215474","30.0728","0.0008","9.9777","0.0003","16.8414","0.0004","90","","105.73","0.002","90","","4864.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 N O6 -","- C24 H39 N O6 -","- C192 H312 N8 O48 -","8","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.1579","0.1053","","","0.2468","0.2727","","","","","","1.085","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215475","33.1689","0.001","10.1077","0.0003","16.6962","0.0005","90","","103.568","0.002","90","","5441.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 N2 O14 -","- C52 H68 N2 O14 -","- C208 H272 N8 O56 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0903","0.0767","","","0.2162","0.2351","","","","","","1.007","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215476","13.957","0.004","10.086","0.003","17.006","0.005","90","","113.026","0.005","90","","2203.2","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N O6 -","- C21 H21 N O6 -","- C84 H84 N4 O24 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0717","0.0617","","","0.1932","0.204","","","","","","1.067","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215477","17.7425","0.0009","8.7392","0.0005","19.5395","0.001","90","","102.293","0.002","90","","2960.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 N O7 -","- C30 H49 N O7 -","- C120 H196 N4 O28 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0508","0.0411","","","0.1168","0.1297","","","","","","1.017","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215478","31.663","0.003","10.0805","0.001","16.7716","0.0017","90","","104.662","0.002","90","","5178.8","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H43 N O6 -","- C26 H39 N O6 -","- C208 H312 N8 O48 -","8","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0686","0.0495","","","0.1327","0.1474","","","","","","1.079","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215479","16.681","0.002","10.1817","0.0014","28.164","0.004","90","","90","","90","","4783.4","1.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H32 N O6 -","- C24 H32 N O6 -","- C192 H256 N8 O48 -","8","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0405","0.0368","","","0.0998","0.1031","","","","","","0.993","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215480","8.405","0.011","16.69","0.02","9.156","0.013","90","","117.32","0.08","90","","1141","3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H37 N O6 -","- C23 H37 N O6 -","- C46 H74 N2 O12 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0673","0.063","","","0.1606","0.1643","","","","","","1.047","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215481","14.566","0.01","9.991","0.007","17.129","0.011","90","","112.74","0.013","90","","2299","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N O6 -","- C21 H17 N O6 -","- C84 H68 N4 O24 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.1429","0.0866","","","0.2308","0.2754","","","","","","1.016","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215482","14.494","0.005","8.794","0.005","19.179","0.005","90","","111.665","0.005","90","","2271.9","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 N O6 -","- C23 H37 N O6 -","- C92 H148 N4 O24 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0628","0.0502","","","0.1366","0.1483","","","","","","1.066","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215483","29.446","0.014","39.144","0.019","17.41","0.008","90","","90","","90","","20067","16","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C51 H89 N3 O7 -","- C51 H89 N3 O7 -","- C816 H1424 N48 O112 -","16","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0502","0.039","","","0.0987","0.1067","","","","","","1.147","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215484","17.9447","0.0004","19.1082","0.0004","11.5533","0.0002","90","","90","","90","","3961.52","0.14","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C44 H36 Mo2 N16 -","- C44 H36 Mo2 N16 -","- C176 H144 Mo8 N64 -","4","0.5","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.0525","0.0289","","","0.0591","0.0673","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215485","14.9903","0.0008","9.2196","0.0005","20.0369","0.0011","90","","101.615","0.003","90","","2712.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H20 Br2 Hg Mo N8 O0.5 -","- C22.5 H19.5 Br2 Hg Mo N8 O0.5 -","- C90 H78 Br8 Hg4 Mo4 N32 O2 -","4","1","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.077","0.0458","","","0.1127","0.1275","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215486","15.3948","0.0003","9.2721","0.0002","20.2932","0.0003","90","","103.088","0.001","90","","2821.45","0.09","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H20 Hg I2 Mo N8 O0.5 -","- C22.5 H19.5 Hg I2 Mo N8 O0.5 -","- C90 H78 Hg4 I8 Mo4 N32 O2 -","4","1","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.0605","0.0497","","","0.1496","0.1618","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215487","12.8206","0.0007","12.7766","0.0007","17.2962","0.0009","90","","95.517","0.002","90","","2820.1","0.3","99","2","99","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Cl7 Hg3.5 Mo2 N16 -","- C43.92 H35.92 Cl7.2 Hg3.6 Mo2 N16 -","- C87.84 H71.84 Cl14.4 Hg7.2 Mo4 N32 -","2","0.5","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.0742","0.0598","","","0.1541","0.1631","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215488","5.659","0.0013","7.9562","0.0018","19.147","0.004","96.62","0.003","95.808","0.004","98.313","0.003","841.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cd3 O20 P4 -","- C28 H22 Cd3 O20 P4 -","- C28 H22 Cd3 O20 P4 -","1","0.5","","Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue","Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures","CrystEngComm","2014","16","23","5050","","10.1039/c4ce00040d","","","0.71073","MoKα","","0.0563","0.0525","","","0.1493","0.1553","","","","","","1.073","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215489","18.2285","0.0013","12.4643","0.0009","18.4247","0.0019","90","","117.261","0.001","90","","3721.2","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cd N2 O7 P -","- C17 H17 Cd N2 O7 P -","- C136 H136 Cd8 N16 O56 P8 -","8","1","","Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue","Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures","CrystEngComm","2014","16","23","5050","","10.1039/c4ce00040d","","","0.71073","MoKα","","0.0396","0.0275","","","0.0647","0.0701","","","","","","1.021","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215490","13.9812","0.0014","14.7218","0.0014","15.0185","0.0014","103.264","0.002","92.471","0.002","110.865","0.001","2784.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H44 Cd3 N6 O16 P2 -","- C50 H44 Cd3 N6 O16 P2 -","- C100 H88 Cd6 N12 O32 P4 -","2","1","","Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue","Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures","CrystEngComm","2014","16","23","5050","","10.1039/c4ce00040d","","","0.71073","MoKα","","0.0827","0.0512","","","0.1532","0.1738","","","","","","1.038","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215491","11.78","0.0011","9.4034","0.0009","18.8322","0.0018","90","","103.465","0.002","90","","2028.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cd N2 O9 P -","- C17 H21 Cd N2 O9 P -","- C68 H84 Cd4 N8 O36 P4 -","4","1","","Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue","Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures","CrystEngComm","2014","16","23","5050","","10.1039/c4ce00040d","","","0.71073","MoKα","","0.0651","0.0415","","","0.1044","0.1166","","","","","","1.032","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215492","7.81","0.0013","21.238","0.004","26.989","0.005","90","","90","","90","","4476.6","1.4","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 B F4 O2 S8 -","- C14 H18 B F4.005 O2 S8 -","- C112 H144 B8 F32.04 O16 S64 -","8","1","","Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions","CrystEngComm","2014","16","24","5424","","10.1039/c4ce00116h","","","0.71075","MoKα","","","0.0486","","","","0.1232","","","","","","1.044","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215493","7.8172","0.0013","21.232","0.004","26.987","0.005","90","","90","","90","","4479.2","1.4","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 B F4 O2 S8 -","- C14 H18 B F3.993 O2 S8 -","- C112 H144 B8 F31.944 O16 S64 -","8","1","","Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions","CrystEngComm","2014","16","24","5424","","10.1039/c4ce00116h","","","0.71075","MoKα","","","0.0603","","","","0.1421","","","","","","1.041","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215494","7.81","0.0013","21.238","0.004","26.989","0.005","90","","90","","90","","4476.6","1.4","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 B F4 O2 S8 -","- C14 H18 B F4 O2 S8 -","- C112 H144 B8 F32 O16 S64 -","8","1","","Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions","CrystEngComm","2014","16","24","5424","","10.1039/c4ce00116h","","","0.71075","MoKα","","","0.0647","","","","0.2003","","","","","","1.299","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215499","11.5361","0.0003","11.5361","0.0003","37.3168","0.0019","90","","90","","90","","4966.2","0.3","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C27 H23 N3 O5 Zn -","- C26.994 H22 N3 O5 Zn -","- C215.952 H176 N24 O40 Zn8 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies","CrystEngComm","2014","16","35","8160","","10.1039/C4CE00496E","","","0.71073","MoKα","","0.0543","0.0429","","","0.0982","0.1029","","","","","","1.059","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215500","11.5806","0.0003","11.5806","0.0003","34.904","0.002","90","","90","","90","","4681","0.3","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H16 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C192 H128 N16 O32 Zn8 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies","CrystEngComm","2014","16","35","8160","","10.1039/C4CE00496E","","","0.71073","MoKα","","0.0483","0.0404","","","0.1283","0.134","","","","","","1.053","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215501","11.6638","0.0004","11.6638","0.0004","36.79","0.003","90","","90","","90","","5005.1","0.5","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C27 H24 N2 O5 Zn -","- C25.2 H16 N2 O4.4 Zn -","- C201.6 H128 N16 O35.2 Zn8 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies","CrystEngComm","2014","16","35","8160","","10.1039/C4CE00496E","","","0.71073","MoKα","","0.1152","0.0917","","","0.2524","0.2739","","","","","","1.043","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215502","19.0671","0.0019","10.4052","0.0008","22.384","0.0019","90","","99.004","0.001","90","","4386.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Mn N2 O5 -","- C27 H18 Mn N2 O5 -","- C216 H144 Mn8 N16 O40 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.0745","0.046","","","0.0929","0.1105","","","","","","1.03","","","","has coordinates,has disorder","180486","2020-10-21","18:00:00",""
"7215503","10.7055","0.0007","12.564","0.0009","15.7296","0.001","113.095","0.002","98.85","0.001","102.229","0.001","1834.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 Co N4 O11 -","- C39 H38 Co N4 O11 -","- C78 H76 Co2 N8 O22 -","2","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.0918","0.059","","","0.1455","0.1686","","","","","","1.029","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215504","19.0329","0.0018","10.395","0.0009","22.382","0.002","90","","99.021","0.001","90","","4373.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Co N2 O5 -","- C27 H18 Co N2 O5 -","- C216 H144 Co8 N16 O40 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.1072","0.0593","","","0.1441","0.1803","","","","","","1.044","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215505","19.2419","0.0007","10.4225","0.0003","22.3595","0.0007","90","","98.676","0.001","90","","4432.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Cd N2 O5 -","- C27 H18 Cd N2 O5 -","- C216 H144 Cd8 N16 O40 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.0601","0.0376","","","0.0652","0.0764","","","","","","1.064","","","","has coordinates,has disorder","180486","2020-10-21","18:00:00",""
"7215506","35.13","0.003","7.3946","0.0003","19.1657","0.0013","90","","109.809","0.002","90","","4684.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 Mn N2 O7 -","- C25 H22 Mn N2 O7 -","- C200 H176 Mn8 N16 O56 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.1107","0.0567","","","0.0879","0.115","","","","","","1.057","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215507","35.083","0.003","7.294","0.0005","19.1329","0.0017","90","","109.888","0.002","90","","4604","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 Co N2 O7 -","- C25 H22 Co N2 O7 -","- C200 H176 Co8 N16 O56 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.1128","0.0572","","","0.1147","0.1421","","","","","","0.991","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215508","7.5718","0.0007","14.0421","0.0019","17.244","0.002","74.534","0.001","83.804","0.001","88.439","0.002","1756.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Cu N2 O12 -","- C40 H34 Cu N2 O12 -","- C80 H68 Cu2 N4 O24 -","2","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.1358","0.069","","","0.0797","0.1025","","","","","","1.095","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215509","12.6755","0.0005","16.983","0.0006","20.7087","0.0011","90","","103.418","0.002","90","","4336.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Cd2 N4 O10 -","- C50 H36 Cd2 N4 O10 -","- C200 H144 Cd8 N16 O40 -","4","0.5","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.0597","0.0358","","","0.0572","0.0667","","","","","","1.04","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215510","31.684","0.004","10.0017","0.0012","13.3763","0.0017","90","","106.607","0.003","90","","4062.1","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H16 N6 O4.5 Pb S -","- C14.5 H16 N6 O4.5 Pb S -","- C116 H128 N48 O36 Pb8 S8 -","8","1","","Hashemi, Lida; Morsali, Ali","A new lead(ii) nanoporous three-dimensional coordination polymer: pore size effect on iodine adsorption affinity","CrystEngComm","2014","16","23","4955","","10.1039/c4ce00454j","","","0.71073","MoKα","","0.0524","0.0345","","","0.08","0.0885","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215654","11.3224","0.0003","14.6492","0.0004","18.371","0.0005","71","0.002","78.352","0.002","73.441","0.002","2741.51","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C48 H164 Co4 Ge8 N36 S24 -","4","2","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0545","0.0388","","","0.0854","0.0908","","","","","","1.043","","","","has coordinates,has disorder","180487","2020-10-21","18:00:00",""
"7215655","7.2034","0.0005","9.2773","0.0006","11.4365","0.0008","74.107","0.005","73.402","0.005","71.293","0.005","679.62","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","1","0.5","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0336","0.0295","","","0.0728","0.0744","","","","","","1.11","","","","has coordinates,has disorder","180487","2020-10-21","18:00:00",""
"7215656","15.211","0.0003","16.7025","0.0004","21.8821","0.0004","90","","90","","90","","5559.4","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C96 H328 Co8 Ge16 N72 S48 -","8","1","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0613","0.0474","","","0.0792","0.0832","","","","","","1.142","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215657","14.7043","0.0003","9.0099","0.0002","21.454","0.0005","90","","90","","90","","2842.32","0.11","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C48 H164 Co4 Ge8 N36 S24 -","4","1","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0205","0.0199","","","0.0479","0.0482","","","","","","1.042","","","","has coordinates,has disorder","180487","2020-10-21","18:00:00",""
"7215658","27.144","0.005","6.5905","0.0013","10.766","0.002","90","","90","","90","","1926","0.6","153","2","153","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H14 Cl F6 N4 P Pt -","- C17 H14 Cl F6 N4 P Pt -","- C68 H56 Cl4 F24 N16 P4 Pt4 -","4","0.5","","Zhang, Rui; Liang, Zhenning; Han, Ali; Wu, Haotian; Du, Pingwu; Lai, Wenzhen; Cao, Rui","Structural, spectroscopic and theoretical studies of a vapochromic platinum(ii) terpyridyl complex","CrystEngComm","2014","16","25","5531","","10.1039/c4ce00514g","","","0.71073","MoKα","","0.0502","0.0434","","","0.0978","0.1025","","","","","","1.064","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215659","20.0402","0.0006","20.0402","0.0006","41.6541","0.0013","90","","90","","120","","14487.5","0.8","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C9 H9 Cu N O5 S -","- C9 H9 Cu N O5 S -","- C324 H324 Cu36 N36 O180 S36 -","36","1","","Yang, Jie; Lutz, Martin; Grzech, Anna; Mulder, Fokko M.; Dingemans, Theo J.","Copper-based coordination polymers from thiophene and furan dicarboxylates with high isosteric heats of hydrogen adsorption","CrystEngComm","2014","16","23","5121","","10.1039/c4ce00145a","","","0.71073","MoKα","","0.0473","0.0367","","","0.1204","0.1281","","","","","","1.141","","","","has coordinates,has disorder","180487","2020-10-21","18:00:00",""
"7215660","18.9198","0.0011","18.8335","0.0014","12.6671","0.0008","90","","92.396","0.003","90","","4509.7","0.5","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C18 H12 Cu3 O18 -","- C18 H12 Cu3 O18 -","- C72 H48 Cu12 O72 -","4","0.5","","Yang, Jie; Lutz, Martin; Grzech, Anna; Mulder, Fokko M.; Dingemans, Theo J.","Copper-based coordination polymers from thiophene and furan dicarboxylates with high isosteric heats of hydrogen adsorption","CrystEngComm","2014","16","23","5121","","10.1039/c4ce00145a","","","0.71073","MoKα","","0.0354","0.032","","","0.0835","0.085","","","","","","1.04","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215661","21.4985","0.0013","24.7145","0.0014","24.8218","0.0014","110.166","0.004","112.898","0.003","102.544","0.002","10420.7","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C222 H166 Cu24 N10 O120 -","- C222 H166 Cu24 N10 O120 -","- C222 H166 Cu24 N10 O120 -","1","0.5","","Yang, Jie; Lutz, Martin; Grzech, Anna; Mulder, Fokko M.; Dingemans, Theo J.","Copper-based coordination polymers from thiophene and furan dicarboxylates with high isosteric heats of hydrogen adsorption","CrystEngComm","2014","16","23","5121","","10.1039/c4ce00145a","","","0.71073","MoKα","","0.0969","0.0712","","","0.222","0.2456","","","","","","1.057","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215662","11.945","0.0002","9.5273","0.0001","5.3438","0.0001","90","","90","","90","","608.144","0.017","298","2","298","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","Creatine form I","","","- C4 H9 N3 O2 -","- C4 H9 N3 O2 -","- C16 H36 N12 O8 -","4","1","","Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.","Structure and stability of two polymorphs of creatine and its monohydrate","CrystEngComm","2014","16","35","8197","","10.1039/C4CE00508B","powder diffraction","","1.54056","","","","","","","","","","","2.099","","","","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215663","9.845","0.0003","5.8373","0.0002","11.6698","0.0003","90","","105.723","0.002","90","","645.55","0.03","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Creatine form II","","","- C4 H9 N3 O2 -","- C4 H9 N3 O2 -","- C16 H36 N12 O8 -","4","1","","Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.","Structure and stability of two polymorphs of creatine and its monohydrate","CrystEngComm","2014","16","35","8197","","10.1039/C4CE00508B","powder diffraction","","1.54056","","","","","","","","","","","3.538","","","","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215664","17.4929","0.0014","4.7791","0.0004","10.1101","0.0008","90","","90","","90","","845.21","0.12","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","Creatine formic acid solvate","","","- C5 H11 N3 O4 -","- C5 H11 N3 O4 -","- C20 H44 N12 O16 -","4","1","","Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.","Structure and stability of two polymorphs of creatine and its monohydrate","CrystEngComm","2014","16","35","8197","","10.1039/C4CE00508B","","","0.71073","MoKα","","0.0595","0.0397","","","0.0831","0.0934","","","","","","1.013","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215665","10.075","0.006","11.026","0.006","16.317","0.008","90","","119.16","0.03","90","","1582.9","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N O3 P -","- C18 H14 N O3 P -","- C72 H56 N4 O12 P4 -","4","1","","Puigjaner, Cristina; Vela, Sergi; Font-Bardia, Merce; Novoa, Juan J.","The Polymorphism of a Triarylphosphine oxide. A case of missing isomers.","CrystEngComm","2014","","","","","10.1039/c4ce00498a","","","0.71073","MoKα","","0.0927","0.0522","","","0.1189","0.1338","","","","","","1.073","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215666","18.635","0.009","10.871","0.004","16.459","0.005","90","","107.05","0.02","90","","3188","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N O3 P -","- C18 H14 N O3 P -","- C144 H112 N8 O24 P8 -","8","1","","Puigjaner, Cristina; Vela, Sergi; Font-Bardia, Merce; Novoa, Juan J.","The Polymorphism of a Triarylphosphine oxide. A case of missing isomers.","CrystEngComm","2014","","","","","10.1039/c4ce00498a","","","0.71073","MoKα","","0.0958","0.0793","","","0.1557","0.1669","","","","","","1.205","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215667","7.2376","0.0006","8.981","0.0008","10.8011","0.0008","87.807","0.007","76.086","0.007","87.04","0.007","680.33","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","isonicotinamide - 3,5-dinitrobenzoic acid","4-Carbamoylpyridinium 3,5-dinitrobenzoate","","- C13 H10 N4 O7 -","- C13 H10 N4 O7 -","- C26 H20 N8 O14 -","2","1","","Seaton, Colin C.","Proton location in acid⋯pyridine hydrogen bonds of multi-component crystals","CrystEngComm","2014","16","26","5878","","10.1039/c4ce00043a","","","0.71073","MoKα","","0.0603","0.043","","","0.1102","0.1181","","","","","","0.974","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215668","7.0678","0.0004","8.8189","0.0005","16.2172","0.0009","93.761","0.005","90.458","0.005","95.498","0.005","1003.9","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,5-dinitrobenzoic acid isonicotinamide 3-aminobenzoic acid","","- C20 H17 N5 O9 -","- C20 H17 N5 O9 -","- C40 H34 N10 O18 -","2","1","","Seaton, Colin C.","Proton location in acid⋯pyridine hydrogen bonds of multi-component crystals","CrystEngComm","2014","16","26","5878","","10.1039/c4ce00043a","","","0.71073","MoKα","","0.0843","0.0376","","","0.0585","0.0634","","","","","","0.781","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215669","12.8093","0.0014","13.1563","0.0012","7.4708","0.0008","90","","90","","90","","1259","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","pyridinium-4-carboxamide 2,4,6-trihydroxybenzoate","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C52 H48 N8 O24 -","4","1","","Seaton, Colin C.","Proton location in acid⋯pyridine hydrogen bonds of multi-component crystals","CrystEngComm","2014","16","26","5878","","10.1039/c4ce00043a","","","0.71073","MoKα","","0.0588","0.0352","","","0.0453","0.0482","","","","","","0.825","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215670","13.013","0.002","8.7755","0.0016","8.4187","0.0013","90","","103.902","0.005","90","","933.2","0.3","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H15 La N10 O10 -","- C14 H15 La N10 O10 -","- C28 H30 La2 N20 O20 -","2","0.5","","Vilela, Sérgio M. F.; Ananias, Duarte; Silva, Patrícia; Nolasco, Mariela; Carlos, Luís D.; de Zea Bermudez, Verónica; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Coordination polymers based on a glycine-derivative ligand","CrystEngComm","2014","16","35","8119","","10.1039/C4CE00465E","","","0.71073","MoKα","","0.0766","0.0454","","","0.069","0.0766","","","","","","0.995","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215671","11.2216","0.0003","15.0063","0.0004","6.8432","0.0002","90","","90.245","0.002","90","","1152.35","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl N5 O5 -","- C7 H10 Cl N5 O5 -","- C28 H40 Cl4 N20 O20 -","4","1","","Vilela, Sérgio M. F.; Ananias, Duarte; Silva, Patrícia; Nolasco, Mariela; Carlos, Luís D.; de Zea Bermudez, Verónica; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Coordination polymers based on a glycine-derivative ligand","CrystEngComm","2014","16","35","8119","","10.1039/C4CE00465E","","","0.71073","MoKα","","0.0657","0.0398","","","0.0943","0.1056","","","","","","1.015","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215672","7.2191","0.0005","24.9432","0.0019","7.4918","0.0005","90","","113.281","0.005","90","","1239.19","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Cl N5 O4 -","- C9 H12 Cl N5 O4 -","- C36 H48 Cl4 N20 O16 -","4","1","","Vilela, Sérgio M. F.; Ananias, Duarte; Silva, Patrícia; Nolasco, Mariela; Carlos, Luís D.; de Zea Bermudez, Verónica; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Coordination polymers based on a glycine-derivative ligand","CrystEngComm","2014","16","35","8119","","10.1039/C4CE00465E","","","0.71073","MoKα","","0.0835","0.0476","","","0.1101","0.1275","","","","","","1.027","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215673","25.5089","0.0009","25.5089","0.0009","34.3318","0.0017","90","","90","","120","","19346.9","1.4","173","2","173","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C104 H458 Cl29 Dy25 Ni2 O364 -","- C96 H158 Cl5 Dy25 Ni2 O184 -","- C192 H316 Cl10 Dy50 Ni4 O368 -","2","0.166667","","Liu, Da-Peng; Peng, Jun-Bo; Lin, Xin-Ping; Huang, Que; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Myo-inositol supported heterometallic Dy24M2 (M = Ni, Mn) cages","CrystEngComm","2014","16","25","5527","","10.1039/c4ce00362d","","","0.71073","MoKα","","0.1879","0.0893","","","0.1902","0.2274","","","","","","0.853","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215674","25.525","0.0011","25.525","0.0011","34.3906","0.0014","90","","90","","120","","19404.5","1.4","173","2","173","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C104 H458 Cl29 Dy25 Mn2 O364 -","- C96 H158 Cl5 Dy25 Mn2 O184 -","- C192 H316 Cl10 Dy50 Mn4 O368 -","2","0.166667","","Liu, Da-Peng; Peng, Jun-Bo; Lin, Xin-Ping; Huang, Que; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Myo-inositol supported heterometallic Dy24M2 (M = Ni, Mn) cages","CrystEngComm","2014","16","25","5527","","10.1039/c4ce00362d","","","0.71073","MoKα","","0.2094","0.0877","","","0.1767","0.2193","","","","","","0.82","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215675","10.015","0.0006","9.668","0.0006","26.365","0.0016","90","","97.999","0.005","90","","2528","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 N18 -","- C60 H48 N18 -","- C120 H96 N36 -","2","0.5","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.1345","0.0743","","","0.1935","0.241","","","","","","1.002","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215676","11.653","0.0006","12.157","0.0007","13.87","0.0008","67.552","0.005","89.98","0.006","69.718","0.005","1683.55","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Ag2 N10 O6 -","- C34 H26 Ag2 N10 O6 -","- C68 H52 Ag4 N20 O12 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.0638","0.0486","","","0.1333","0.1468","","","","","","1.031","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215677","20.657","0.0008","14.236","0.0006","23.358","0.0009","90","","103.847","0.004","90","","6669.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H56 Ag4 N20 O14 -","- C69 H51 Ag4 N20 O14 -","- C276 H204 Ag16 N80 O56 -","4","0.5","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.0977","0.0571","","","0.1478","0.1736","","","","","","1.01","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215678","10.986","0.0004","12.307","0.0005","13.891","0.0006","82.446","0.004","68.707","0.004","71.97","0.003","1663.6","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Ag3 N10 O7 -","- C34 H26 Ag3 N10 O7 -","- C68 H52 Ag6 N20 O14 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.0621","0.0435","","","0.092","0.1032","","","","","","1.02","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215679","13.04","0.0008","13.95","0.0011","22.54","0.0015","107.566","0.007","96.682","0.005","96.412","0.006","3835.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H58 Ag6 N22 O16 -","- C74 H54 Ag6 N22 O16 -","- C148 H108 Ag12 N44 O32 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.1821","0.0841","","","0.1783","0.2334","","","","","","0.988","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215680","12.675","0.0005","14.312","0.0007","15.22","0.0007","106.736","0.004","99.655","0.004","115.188","0.004","2254.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 Ag5 N10 O12 -","- C46 H29 Ag5 N10 O12 -","- C92 H58 Ag10 N20 O24 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71073","MoKα","","0.0796","0.0498","","","0.1068","0.1245","","","","","","1.015","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215681","11.486","0.0006","12.951","0.0008","13.976","0.0006","85.015","0.004","79.768","0.004","65.61","0.005","1863.14","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Ag2 N9 O8 -","- C42 H32 Ag2 N9 O8 -","- C84 H64 Ag4 N18 O16 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.1017","0.0612","","","0.1375","0.163","","","","","","1.021","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215682","10.325","0.0007","14.158","0.001","14.916","0.001","68.417","0.007","71.336","0.007","81.65","0.006","1920","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H62 Ag6 N18 O18 -","- C88 H61 Ag6 N18 O18 -","- C88 H61 Ag6 N18 O18 -","1","0.5","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.0814","0.0512","","","0.103","0.1197","","","","","","1.067","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215683","11.927","0.0007","13.94","0.0007","14.06","0.0009","71.773","0.005","79.535","0.005","74.679","0.005","2128.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H33 Ag3 N9 O10 -","- C46 H31 Ag3 N9 O10 -","- C92 H62 Ag6 N18 O20 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.1174","0.0646","","","0.1405","0.176","","","","","","1.023","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215688","29.127","0.003","6.885","0.0002","18.849","0.0008","90","","114.089","0.006","90","","3450.8","0.4","100","2","100","2","","","","","","","see text","5","C 1 2 1","C 2y","5","Levofloxacin hemihydrate","","","- C36 H42 F2 N6 O9 -","- C36 H42 F2 N6 O9 -","- C144 H168 F8 N24 O36 -","4","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1176","0.0624","","","0.1404","0.1636","","","","","","1.021","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215689","6.745","0.005","13.836","0.009","18.393","0.012","90","","95.38","0.011","90","","1709","2","100","2","100","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Levofloxacin Monohydrate","","","- C18 H22 F N3 O5 -","- C18 H22 F N3 O5 -","- C72 H88 F4 N12 O20 -","4","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71075","MoKα","","0.0768","0.061","","","0.1431","0.151","","","","","","1.069","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215690","17.856","0.003","6.989","0.001","36.502","0.007","90","","99.282","0.006","90","","4495.6","1.3","293","2","293","2","","","","","","","see text","5","C 1 2 1","C 2y","5","Levofloxacin Malonic Acid Hydrate","","","- C21 H21 F N3 O9 -","- C21 H21 F N3 O9 -","- C168 H168 F8 N24 O72 -","8","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71075","MoKα","","0.1829","0.0963","","","0.2613","0.3253","","","","","","1.032","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215691","6.83","0.004","34.84","0.02","9.908","0.006","90","","105.713","0.012","90","","2270","2","293","2","293","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Levofloxacin Maleic acid salt","","","- C22 H20 F N3 O8 -","- C22 H20 F N3 O8 -","- C88 H80 F4 N12 O32 -","4","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1829","0.0869","","","0.1726","0.2264","","","","","","1.025","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215692","18.103","0.0012","6.741","0.0004","23.923","0.0017","90","","93.8","0.007","90","","2913","0.3","293","2","293","2","","","","","","","see text","5","C 1 2 1","C 2y","5","Levofloxacin Tetramethylene glutaric acid salt","","","- C27 H29 F N3 O8 -","- C27 H29 F N3 O8 -","- C108 H116 F4 N12 O32 -","4","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1699","0.0887","","","0.2253","0.2615","","","","","","0.996","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215693","9.984","0.002","17.199","0.003","19.058","0.004","67.254","0.008","86.503","0.012","77.145","0.011","2941.2","1","100","2","100","2","","","","","","","see text","5","P 1","P 1","1","","","","- C114 H126 F6 N18 O47 -","- C114 H126 F6 N18 O47 -","- C114 H126 F6 N18 O47 -","1","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.0544","0.0458","","","0.1102","0.1161","","","","","","1.013","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215694","17.06","0.02","6.916","0.007","19.12","0.02","90","","110.106","0.017","90","","2118","4","293","2","293","2","","","","","","","see text","5","C 1 2 1","C 2y","5","","","","- C20 H21 F N3 O8 -","- C20 H21 F N3 O8 -","- C80 H84 F4 N12 O32 -","4","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1369","0.0834","","","0.2168","0.2733","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215695","9.135","0.002","12.008","0.003","16.533","0.005","79.91","0.013","78.135","0.014","73.833","0.013","1691.1","0.8","100","","100","2","","","","","","","see text","5","P 1","P 1","1","Levofloxacin 3,5-dinitrobenzoate 1:2","","","- C32 H28 F N7 O16 -","- C32 H28 F N7 O16 -","- C64 H56 F2 N14 O32 -","2","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71075","MoKα","","0.0438","0.0353","","","0.0824","0.0888","","","","","","1.01","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215696","9.9165","0.0006","13.0528","0.0007","10.9693","0.0007","90","","101.633","0.006","90","","1390.68","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 Mn N2 O5 -","- C12 H8 Mn N2 O5 -","- C48 H32 Mn4 N8 O20 -","4","2","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol","CrystEngComm","2014","16","20","4210","","10.1039/c3ce42660b","","","0.71073","MoKα","","0.138","0.0725","","","0.1713","0.2182","","","","","","1.04","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215697","9.846","0.0012","12.8415","0.0013","10.9975","0.0013","90","","99.39","0.012","90","","1371.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 Mg N2 O5 -","- C12 H8 Mg N2 O5 -","- C48 H32 Mg4 N8 O20 -","4","2","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol","CrystEngComm","2014","16","20","4210","","10.1039/c3ce42660b","","","0.71073","MoKα","","0.0927","0.066","","","0.1697","0.1923","","","","","","1.054","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215698","7.699","0.003","7.897","0.003","9.378","0.003","84.34","0.03","72.67","0.03","64.01","0.04","488.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Mg N2 O8 -","- C16 H24 Mg N2 O8 -","- C16 H24 Mg N2 O8 -","1","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol","CrystEngComm","2014","16","20","4210","","10.1039/c3ce42660b","","","0.71073","MoKα","","0.0986","0.0649","","","0.1756","0.2124","","","","","","1.037","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215699","5.1633","0.0011","9.5569","0.0019","12.229","0.003","87.326","0.003","83.816","0.003","76.459","0.003","583.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H12 N10 O3 -","- C6 H12 N10 O3 -","- C12 H24 N20 O6 -","2","1","","Su, Zhiyong; Liu, Xiangyu; Yang, Qi; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Intermolecular interaction influenced energy and sensitivity of highly energetic salts: structure and physicochemical properties","CrystEngComm","2014","16","20","4245","","10.1039/c4ce00259h","","","0.71073","MoKα","","0.0839","0.0667","","","0.2099","0.2373","","","","","","1.016","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215700","3.6377","0.001","11.723","0.003","12.387","0.003","90","","97.696","0.005","90","","523.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N10 O4 -","- C4 H8 N10 O4 -","- C8 H16 N20 O8 -","2","0.5","","Su, Zhiyong; Liu, Xiangyu; Yang, Qi; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Intermolecular interaction influenced energy and sensitivity of highly energetic salts: structure and physicochemical properties","CrystEngComm","2014","16","20","4245","","10.1039/c4ce00259h","","","0.71073","MoKα","","0.0902","0.0529","","","0.1315","0.1819","","","","","","1.04","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215701","13.559","0.003","8.9163","0.0017","6.7232","0.0013","90","","93.051","0.004","90","","811.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N7 O6 -","- C2 H7 N7 O6 -","- C8 H28 N28 O24 -","4","1","","Su, Zhiyong; Liu, Xiangyu; Yang, Qi; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Intermolecular interaction influenced energy and sensitivity of highly energetic salts: structure and physicochemical properties","CrystEngComm","2014","16","20","4245","","10.1039/c4ce00259h","","","0.71073","MoKα","","0.0674","0.043","","","0.097","0.1099","","","","","","1.007","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215702","7.1272","0.0012","12.249","0.002","12.943","0.002","71.973","0.002","89.308","0.002","89.483","0.002","1074.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Acetone Solvate (2)","","","- C38 H48 Ag2 B2 F8 N8 O2 -","- C38 H48 Ag2 B2 F8 N8 O2 -","- C38 H48 Ag2 B2 F8 N8 O2 -","1","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.0322","0.031","","","0.0753","0.0759","","","","","","1.174","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215703","7.091","0.0019","20.479","0.006","14.855","0.005","90","","91.038","0.004","90","","2156.8","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Chloroform Solvate (3)","","","- C34 H38 Ag2 B2 Cl6 F8 N8 -","- C34 H38 Ag2 B2 Cl6 F8 N8 -","- C68 H76 Ag4 B4 Cl12 F16 N16 -","2","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.0807","0.0573","","","0.1403","0.1515","","","","","","1.061","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215704","7.102","0.0018","12.388","0.003","12.794","0.003","72.237","0.004","89.284","0.004","89.239","0.004","1071.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Benzene Solvate","","","- C38 H42 Ag2 B2 F8 N8 -","- C37.994 H41.994 Ag2 B2 F8 N8 -","- C37.994 H41.994 Ag2 B2 F8 N8 -","1","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.051","0.0372","","","0.0868","0.0937","","","","","","1.005","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7215705","7.0814","0.0011","12.445","0.002","12.837","0.002","71.505","0.002","89.185","0.002","89.43","0.002","1072.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Difluorobenzene Solvate","","","- C38 H40 Ag2 B2 F10 N8 -","- C38 H40 Ag2 B2 F10 N8 -","- C38 H40 Ag2 B2 F10 N8 -","1","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.051","0.0459","","","0.1125","0.1148","","","","","","1.153","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7215706","6.9746","0.001","12.0647","0.0017","13.1454","0.0018","72.422","0.002","87.762","0.002","86.363","0.002","1052.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Toluene Solvate (6)","","","- C39 H43 Ag2 B2 F8 N8 -","- C39 H43 Ag2 B2 F8 N8 -","- C39 H43 Ag2 B2 F8 N8 -","1","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.0552","0.0412","","","0.0911","0.0962","","","","","","1.026","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215707","5.6482","0.0011","15.05","0.003","8.6769","0.0017","90","","93.73","0.03","90","","736","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C36 H28 N8 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.0664","0.0614","","","0.1283","0.1313","","","","","","1.191","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215708","18.047","0.004","5.2394","0.001","7.8799","0.0016","90","","94.25","0.03","90","","743","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","1.54187","CuKα","","0.1104","0.0931","","","0.1685","0.1756","","","","","","1.199","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215709","48.195","0.01","13.492","0.003","19.716","0.004","90","","112.39","0.03","90","","11854","5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N2 O2 -","- C34 H24 N2 O2 -","- C544 H384 N32 O32 -","16","2","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.1407","0.1002","","","0.2549","0.2724","","","","","","1.374","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215710","4.813","0.003","9.377","0.005","15.91","0.009","90","","90.696","0.009","90","","718","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C36 H28 N8 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.0744","0.0623","","","0.1107","0.1163","","","","","","1.17","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215711","5.4114","0.0011","20.902","0.004","6.7857","0.0014","90","","107.29","0.03","90","","732.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C38 H30 N6 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.0795","0.0686","","","0.119","0.1244","","","","","","1.208","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215712","5.307","0.0011","21.226","0.004","6.883","0.0014","90","","107.01","0.03","90","","741.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.0751","0.064","","","0.1308","0.1369","","","","","","1.152","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215713","31.3858","0.0014","24.8618","0.0013","13.1852","0.0007","90","","112.774","0.005","90","","9486.4","0.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C124.5 H122.5 Co9 N23.5 O47.5 -","- C108 H72 Co9 N18 O42 -","- C216 H144 Co18 N36 O84 -","2","0.25","","Kang, Yao; Wang, Fei","A highly-connected metal‒organic framework based on [Co2(μ2-OH2)] units and mononuclear Co centers with high gas uptake capacity","CrystEngComm","2014","16","20","4088","","10.1039/c3ce42361a","","","0.71073","MoKα","","0.0894","0.0639","","","0.1787","0.1941","","","","","","0.955","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215714","29.958","0.004","29.958","0.004","15.57","0.003","90","","90","","120","","12102","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H40 N12 O16 Pb2 -","- C32 H40 N12 O16 Pb2 -","- C288 H360 N108 O144 Pb18 -","9","0.5","","Guo, Chun-Li; Li, Xiao-Zeng; Zhang, Xing-Mei; Wang, Lu; Zhu, Li-Na","A novel porous metal‒organic framework from a new bis(acylhydrazone) ligand capable of reversibly adsorbing/desorbing water and small alcohol molecules","CrystEngComm","2014","16","20","4095","","10.1039/c4ce00140k","","","0.71073","MoKα","","0.0671","0.0571","","","0.1431","0.1503","","","","","","1.14","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215715","27.13","0.005","11.761","0.002","43.999","0.013","90","","128.01","0.02","90","","11061","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H84 Cu2 La2 N10 O28 -","- C124 H84 Cu2 La2 N10 O28 -","- C496 H336 Cu8 La8 N40 O112 -","4","1","","Fang, Wei-Hui; Yang, Guo-Yu","Heterometal‒organic framework with pcu net constructed from mixed linear ligands","CrystEngComm","2014","16","20","4091","","10.1039/c4ce00282b","","","0.71073","MoKα","","0.106","0.0879","","","0.2419","0.2648","","","","","","1.028","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215716","6.785","0.005","7.594","0.006","10.591","0.008","70.714","0.015","77.107","0.014","88.869","0.014","501.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Cu N4 O4 -","- C8 H6 Cu N4 O4 -","- C16 H12 Cu2 N8 O8 -","2","1","","Yang, Lan; Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Effect of phenylacetic acid coligands on the structures and magnetic properties of azido-bridged copper(ii)-chain compounds","CrystEngComm","2014","16","20","4194","","10.1039/c3ce42532k","","","0.71073","MoKα","","0.1716","0.0858","","","0.1803","0.236","","","","","","1.049","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215717","17.787","0.003","6.6764","0.0013","8.4841","0.0016","90","","102.003","0.003","90","","985.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cu N3 O2 -","- C9 H9 Cu N3 O2 -","- C36 H36 Cu4 N12 O8 -","4","1","","Yang, Lan; Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Effect of phenylacetic acid coligands on the structures and magnetic properties of azido-bridged copper(ii)-chain compounds","CrystEngComm","2014","16","20","4194","","10.1039/c3ce42532k","","","0.71073","MoKα","","0.0907","0.0508","","","0.121","0.1628","","","","","","1.003","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215718","13.5498","0.0016","6.5985","0.0008","13.6226","0.0016","90","","116.118","0.002","90","","1093.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cu N4 O5 -","- C8 H8 Cu N4 O5 -","- C32 H32 Cu4 N16 O20 -","4","1","","Yang, Lan; Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Effect of phenylacetic acid coligands on the structures and magnetic properties of azido-bridged copper(ii)-chain compounds","CrystEngComm","2014","16","20","4194","","10.1039/c3ce42532k","","","0.71073","MoKα","","0.0439","0.0331","","","0.0795","0.0855","","","","","","1.075","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215719","6.8518","0.0004","11.3764","0.0006","17.4137","0.0008","90","","90","","90","","1357.38","0.12","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0328","0.0288","","","0.0732","0.0743","","","","","","1.083","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215720","7.0652","0.0004","11.3687","0.0006","17.5723","0.0008","90","","90","","90","","1411.44","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0592","0.0315","","","0.067","0.0717","","","","","","0.854","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215721","12.2742","0.0003","15.2924","0.0004","16.6009","0.0005","69.246","0.003","80.702","0.002","70.336","0.002","2740.72","0.14","110","2","110","2","","","","","","","","4","P -1","-P 1","2","2-Methoxy-6-(Naphthalene-1-yliminomethyl)-phenol","2-Methoxy-6-(Naphthalene-1-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","4","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.08","0.0387","","","0.0792","0.086","","","","","","0.826","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215722","12.3034","0.0004","15.406","0.0005","16.9536","0.0004","69.62","0.002","80.598","0.002","70.17","0.003","2829.99","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2-methoxy-6-(naphthalene-1-yliminomethyl)-phenol","2-methoxy-6-(naphthalene-1-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","4","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","1.54184","CuKα","","0.0489","0.0441","","","0.1218","0.1284","","","","","","1.039","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215723","11.9796","0.0004","9.9836","0.0004","10.9926","0.0004","90","","103.664","0.004","90","","1277.5","0.08","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(naphthalen-1-yliminomethyl)-benzene-1,4-diol","2-(naphthalen-1-yliminomethyl)-benzene-1,4-diol","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0395","0.0347","","","0.0935","0.0958","","","","","","1.071","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215724","11.9699","0.0006","10.1432","0.0007","11.0736","0.0007","90","","103.312","0.005","90","","1308.35","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(naphthalen-1-yliminomethyl)-benzene-1,4-diol","2-(naphthalen-1-yliminomethyl)-benzene-1,4-diol","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0485","0.038","","","0.1104","0.1153","","","","","","1.091","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215725","11.6407","0.0008","12.0666","0.0009","12.0964","0.0008","90","","91.535","0.007","90","","1698.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(benzhydrylimino-methyl)-6-methoxy-phenol","2-(benzhydrylimino-methyl)-6-methoxy-phenol","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0716","0.0531","","","0.1191","0.1312","","","","","","1.045","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215726","11.756","0.002","12.176","0.002","12.2037","0.0019","90","","91.224","0.015","90","","1746.5","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(benzhydrylimino-methyl)-6-methoxy-phenol","2-(benzhydrylimino-methyl)-6-methoxy-phenol","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.2084","0.0345","","","0.0491","0.0651","","","","","","0.605","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215727","12.678","0.012","12.682","0.012","15.44","0.014","90","","96.706","0.01","90","","2465","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B20 H22 K8 O57 V6 -","- B20 K8 O57 V6 -","- B40 K16 O114 V12 -","2","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0408","0.0393","","","0.1162","0.1172","","","","","","1.094","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215728","19.49","0.02","19.16","0.02","20.09","0.02","90","","91.785","0.012","90","","7499","13","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H68 B18 K6 N6 O76 V12 -","- C8 B18 K6 N6 O76 V12 -","- C32 B72 K24 N24 O304 V48 -","4","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0559","0.0482","","","0.1275","0.133","","","","","","1.181","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215729","22.3371","0.001","12.5753","0.0006","22.3967","0.0011","90","","116.864","0.001","90","","5612.2","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H58 B20 K2 N6 O59 V6 -","- C8 H32 B20 K2 N6 O59 V6 -","- C32 H128 B80 K8 N24 O236 V24 -","4","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0654","0.0632","","","0.1626","0.1645","","","","","","1.057","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215730","18.212","0.002","19.276","0.002","19.306","0.002","90","","90","","90","","6777.5","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B18 H36 K10 O75 V12 -","- B18 K10 O75 V12 -","- B72 K40 O300 V48 -","4","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0696","0.0621","","","0.194","0.2029","","","","","","1.197","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215731","11.901","0.012","13.365","0.014","13.987","0.014","117.07","0.011","96.342","0.012","107.344","0.013","1810","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- B18 H46 K10 O80 V12 -","- B18 K10 O80 V12 -","- B18 K10 O80 V12 -","1","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0753","0.0669","","","0.1924","0.2009","","","","","","1.048","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215732","8.1577","0.0006","10.1407","0.0008","18.2913","0.0014","95.207","0.001","94.88","0.001","98.663","0.001","1482.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 F4 N2 O4 -","- C14 H10 F4 N2 O4 -","- C56 H40 F16 N8 O16 -","4","2","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.077","0.0568","","","0.167","0.1823","","","","","","1.07","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215733","7.825","0.0004","9.0424","0.0004","11.634","0.0004","92.81","0.003","105.233","0.004","115.272","0.005","705.88","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 F4 N2 O4 -","- C14 H10 F4 N2 O4 -","- C28 H20 F8 N4 O8 -","2","1","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.0959","0.0637","","","0.1626","0.1871","","","","","","1.034","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215734","4.886","0.0012","11.475","0.003","17.771","0.004","90","","90.01","0.01","90","","996.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F4 N10 O4 -","- C16 H16 F4 N10 O4 -","- C32 H32 F8 N20 O8 -","2","0.5","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.053","0.044","","","0.1384","0.1446","","","","","","1.083","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215735","7.657","0.0004","10.0492","0.0008","11.3387","0.0004","89.108","0.004","86.461","0.003","83.07","0.005","864.42","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 F8 N10 O8 -","- C34 H22 F8 N10 O8 -","- C34 H22 F8 N10 O8 -","1","0.5","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.068","0.0472","","","0.1202","0.1367","","","","","","1.042","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215736","28.889","0.002","9.7001","0.0008","19.7288","0.0016","90","","129.198","0.001","90","","4284.4","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 F12 N6 O12 -","- C48 H29 F12 N6 O12 -","- C192 H116 F48 N24 O48 -","4","0.5","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.1089","0.0626","","","0.1658","0.1912","","","","","","0.909","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215737","7.3027","0.0006","9.6227","0.0007","9.7417","0.0007","94.022","0.006","109.536","0.007","90.479","0.006","643.2","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F4 N2 O4 -","- C13 H9 F4 N2 O4 -","- C26 H18 F8 N4 O8 -","2","1","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.0635","0.0448","","","0.1011","0.1181","","","","","","1.054","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215738","6.1044","0.0004","12.0203","0.0006","20.6007","0.0013","90","","97.195","0.005","90","","1499.71","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 F4 N3 O6 -","- C13 H11 F4 N3 O6 -","- C52 H44 F16 N12 O24 -","4","1","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.1075","0.053","","","0.086","0.1035","","","","","","0.999","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215739","9.0755","0.0004","36.884","0.002","9.7005","0.0003","90","","93.508","0.003","90","","3241.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F8 N4 O9 -","- C32 H24 F8 N4 O9 -","- C128 H96 F32 N16 O36 -","4","1","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.0932","0.0548","","","0.111","0.1276","","","","","","1.024","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215740","7.1153","0.0005","8.4148","0.0006","14.4196","0.0013","99.895","0.001","97.073","0.002","111.878","0.001","772.54","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H22 F8 N4 O8 -","- C32 H20 F8 N4 O8 -","- C32 H20 F8 N4 O8 -","1","0.5","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.0644","0.0531","","","0.1488","0.1597","","","","","","1.083","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215741","13.982","0.003","6.4735","0.0015","15.002","0.004","90","","100.43","0.003","90","","1335.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-({((1S,2R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl}sulfonyl)ethanol","","- C12 H22 O3 S -","- C12 H22 O3 S -","- C48 H88 O12 S4 -","4","2","","Lodochnikova, Olga A.; Startseva, Valeriya A.; Nikitina, Liliya E.; Bodrov, Andrei V.; Klimovitskii, Alexander E.; Klimovitskii, Evgenii N.; Litvinov, Igor A.","When two symmetrically independent molecules must be different: “Crystallization-induced diastereomerization” of chiral pinanyl sulfone","CrystEngComm","2014","16","20","4314","","10.1039/c3ce42642d","","x-ray","0.71073","MoKα","","0.131","0.0601","","","0.1446","0.1743","","","","","","0.975","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215742","6.7596","0.0002","31.6474","0.0008","7.9922","0.0003","90","","108.548","0.003","90","","1620.91","0.09","110","0.1","110","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H F4 I O2 -","- C7 H F4 I O2 -","- C56 H8 F32 I8 O16 -","8","4","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.035918","0.034122","","","0.0808","0.084841","","","","","","1.04612","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215743","6.2546","0.0004","7.8761","0.0004","11.5781","0.0006","78.743","0.005","75.347","0.005","83.455","0.005","539.94","0.05","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C9 H5 F4 I O2 S -","- C9 H5 F4 I O2 S -","- C18 H10 F8 I2 O4 S2 -","2","1","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0383","0.0346","","","0.1","0.1025","","","","","","1.097","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215744","5.7209","0.0007","10.3273","0.0013","14.4539","0.0017","107.044","0.011","99.741","0.01","92.149","0.01","801.24","0.18","110","0.1","110","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H29 F8 I2 N3 O4 S3 -","- C26 H29 F8 I2 N3 O4 S3 -","- C26 H29 F8 I2 N3 O4 S3 -","1","0.5","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0695","0.0494","","","0.1024","0.1123","","","","","","1.066","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215745","6.295","0.0003","6.3948","0.0005","8.09","0.003","90","","104.161","0.013","90","","315.77","0.12","110","0.1","110","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 O2 S2 -","- C4 H8 O2 S2 -","- C8 H16 O4 S4 -","2","0.5","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0337","0.0292","","","0.0759","0.0827","","","","","","1.139","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215746","5.89886","0.00016","21.0112","0.0005","16.1143","0.0004","90","","95.557","0.003","90","","1987.85","0.09","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br2 F8 O4 S2 -","- C16 H10 Br2 F8 O4 S2 -","- C64 H40 Br8 F32 O16 S8 -","4","1","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0395","0.0292","","","0.0612","0.0651","","","","","","1.032","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215747","9.1682","0.0014","9.4618","0.0016","12.3198","0.0016","75.183","0.014","74.084","0.013","79.202","0.014","985.6","0.3","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 F8 I2 O3 S -","- C16 H10 F8 I2 O3 S -","- C32 H20 F16 I4 O6 S2 -","2","1","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0317","0.0254","","","0.0517","0.0556","","","","","","1.044","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215748","16.0299","0.0011","4.0059","0.0002","25.154","0.003","90","","106.546","0.009","90","","1548.4","0.2","110","0.1","110","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 I N2 O -","- C16 H9 F4 I N2 O -","- C64 H36 F16 I4 N8 O4 -","4","1","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0724","0.0651","","","0.1239","0.1267","","","","","","1.325","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215749","6.954","0.0003","7.6099","0.0003","8.6454","0.0003","106.098","0.002","101.881","0.002","93.586","0.002","426.66","0.03","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C18 H18 N6 O4 -","2","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0495","0.0401","","","0.1273","0.133","","","","","","1.603","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215750","5.0172","0.0011","9.3768","0.0019","21.357","0.004","90","","96.602","0.01","90","","998.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 N3 O4 -","- C10 H7 N3 O4 -","- C40 H28 N12 O16 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0865","0.0546","","","0.1173","0.1308","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215751","5.2611","0.0002","9.6714","0.0004","19.3615","0.0008","90","","90","","90","","985.16","0.07","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N3 O3 -","- C10 H9 N3 O3 -","- C40 H36 N12 O12 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0316","0.0295","","","0.0745","0.0767","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215752","14.5117","0.0007","5.1416","0.0002","12.3092","0.0006","90","","107.607","0.002","90","","875.41","0.07","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N3 O3 -","- C9 H7 N3 O3 -","- C36 H28 N12 O12 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0395","0.0323","","","0.1036","0.1186","","","","","","0.907","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215753","5.7364","0.0002","11.9294","0.0005","18.466","0.0009","90","","90","","90","","1263.66","0.09","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0765","0.0476","","","0.0852","0.0973","","","","","","1.043","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215754","5.5178","0.0008","6.735","0.001","13.337","0.002","87.308","0.006","82.823","0.006","74.791","0.006","474.48","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H9 N3 O3 -","- C10 H9 N3 O3 -","- C20 H18 N6 O6 -","2","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0839","0.0591","","","0.1584","0.1933","","","","","","1.178","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215755","7.4126","0.0006","7.672","0.0006","8.1731","0.0006","88.391","0.006","83.564","0.006","80.059","0.006","454.92","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H13 N3 O -","- C8 H13 N3 O -","- C16 H26 N6 O2 -","2","1","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","1.54184","CuKα","","0.0419","0.039","","","0.1046","0.1073","","","","","","1.047","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215756","8.0772","0.0003","7.2986","0.0003","20.4169","0.0007","90","","90","","90","","1203.62","0.08","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H17 N5 O2 -","- C9 H17 N5 O2 -","- C36 H68 N20 O8 -","4","0.5","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","0.71073","MoKα","","0.0481","0.0408","","","0.1051","0.11","","","","","","1.062","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215757","8.5829","0.0004","21.4843","0.0008","7.205","0.0004","90","","114.405","0.006","90","","1209.87","0.11","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C9 H17 N5 O2 -","- C9 H17 N5 O2 -","- C36 H68 N20 O8 -","4","1","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","1.54184","CuKα","","0.0473","0.0469","","","0.1312","0.1319","","","","","","1.083","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215758","21.7368","0.0015","7.2102","0.0006","15.5904","0.0015","90","","90","","90","","2443.4","0.4","173","2","173","2","","","","","","","","4","A b m 2","A 2 -2b","39","","","","- C9 H17 N5 O2 -","- C9 H17 N5 O2 -","- C72 H136 N40 O16 -","8","","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","0.71073","MoKα","","0.0527","0.0397","","","0.0833","0.0889","","","","","","1.043","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215759","11.426","0.002","11.1168","0.0009","7.4318","0.0008","90","","101.235","0.015","90","","925.9","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H13 N3 O -","- C8 H13 N3 O -","- C32 H52 N12 O4 -","4","0.5","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","0.71073","MoKα","","0.0633","0.0526","","","0.1262","0.1343","","","","","","1.04","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215760","10.13","0.002","10.646","0.002","28.531","0.006","90","","94.23","0.03","90","","3068.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Cd2 N10 O10 -","- C30 H18 Cd2 N10 O10 -","- C120 H72 Cd8 N40 O40 -","4","1","","Liu, Kang; Peng, Yu; Yang, Fen; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three metal‒organic frameworks based on the semirigid V-shaped 5-(3-amino-tetrazole-5-phenoxy)-isophthalic acid ligand: syntheses, topological structures and properties","CrystEngComm","2014","16","21","4382","","10.1039/c4ce00105b","","","0.71073","MoKα","","0.0518","0.0394","","","0.0804","0.0859","","","","","","1.085","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215761","19.408","0.004","38.069","0.008","14.436","0.003","90","","105.32","0.03","90","","10287","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H23.5 Mn3 N15 O18.25 -","- C45 H21 Mn3 N15 O18.25 -","- C360 H168 Mn24 N120 O146 -","8","1","","Liu, Kang; Peng, Yu; Yang, Fen; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three metal‒organic frameworks based on the semirigid V-shaped 5-(3-amino-tetrazole-5-phenoxy)-isophthalic acid ligand: syntheses, topological structures and properties","CrystEngComm","2014","16","21","4382","","10.1039/c4ce00105b","","","0.71073","MoKα","","0.1106","0.0652","","","0.1651","0.1917","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215762","9.976","0.002","9.999","0.002","17.099","0.003","85.38","0.03","75.37","0.03","84.31","0.03","1639.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H19 Cu3 N10 O12 -","- C30 H18 Cu3 N10 O12.5 -","- C60 H36 Cu6 N20 O25 -","2","1","","Liu, Kang; Peng, Yu; Yang, Fen; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three metal‒organic frameworks based on the semirigid V-shaped 5-(3-amino-tetrazole-5-phenoxy)-isophthalic acid ligand: syntheses, topological structures and properties","CrystEngComm","2014","16","21","4382","","10.1039/c4ce00105b","","","0.71073","MoKα","","0.0601","0.0438","","","0.1169","0.1277","","","","","","1.09","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215763","4.6927","0.0003","13.1132","0.001","14.7084","0.0014","90","","90.09","0.006","90","","905.1","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-hydroxy-3[1-(3,4,5-trimethoxy-benzylimino)-ethyl]chromen-2-one","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C42 H42 N2 O12 -","2","1","","Małecka, Magdalena; Budzisz, Elzbieta","A structural framework of biologically active coumarin derivatives: crystal structure and Hirshfeld surface analysis","CrystEngComm","2014","16","29","6654","","10.1039/c4ce00499j","","","0.71073","MoKα","","0.0574","0.0337","","","0.0536","0.0564","","","","","","0.8","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215764","11.4149","0.0003","15.5812","0.0003","15.0592","0.0004","90","","126.999","0.002","90","","2139.09","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy-3-[phenyl-(3,4,5-tromethoxy-bezylimino)-methyl] chromen-2-one","","- C26 H23 N O6 -","- C26 H23 N O6 -","- C104 H92 N4 O24 -","4","1","","Małecka, Magdalena; Budzisz, Elzbieta","A structural framework of biologically active coumarin derivatives: crystal structure and Hirshfeld surface analysis","CrystEngComm","2014","16","29","6654","","10.1039/c4ce00499j","","","0.71073","MoKα","","0.0555","0.0331","","","0.0689","0.0721","","","","","","0.861","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215765","8.166","0.003","17.642","0.003","10.775","0.004","90","","117.06","0.02","90","","1382.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy-3-[(2-imidazol-1-yl-ethylimino)-methyl]-chromen-2-one","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Małecka, Magdalena; Budzisz, Elzbieta","A structural framework of biologically active coumarin derivatives: crystal structure and Hirshfeld surface analysis","CrystEngComm","2014","16","29","6654","","10.1039/c4ce00499j","","","0.6","synchrotron","","0.0366","0.0355","","","0.0977","0.0986","","","","","","1.031","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215766","8.4362","0.0005","10.7119","0.0007","19.9504","0.0017","94.185","0.006","102.2","0.006","94.855","0.005","1748.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Br2 Cd N4 O12 -","- C30 H40 Br2 Cd N4 O12 -","- C60 H80 Br4 Cd2 N8 O24 -","2","1","","Fu, Kai; Ren, Cai-Xia; Chen, Cheng; Cai, Li-Xuan; Tan, Bin; Zhang, Jie","Auxiliary ligand-controlled photochromism and decolourization of two bipyridinium-based metal‒organic hybrid materials with various water clusters","CrystEngComm","2014","16","23","5134","","10.1039/c4ce00295d","","","0.71073","MoKα","","0.0724","0.058","","","0.1523","0.1614","","","","","","1.065","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215767","9.324","0.002","11.882","0.003","12.235","0.003","70.286","0.01","75.784","0.012","68.281","0.011","1174.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 Br Cd N2 O10 -","- C19 H26 Br Cd N2 O10 -","- C38 H52 Br2 Cd2 N4 O20 -","2","1","","Fu, Kai; Ren, Cai-Xia; Chen, Cheng; Cai, Li-Xuan; Tan, Bin; Zhang, Jie","Auxiliary ligand-controlled photochromism and decolourization of two bipyridinium-based metal‒organic hybrid materials with various water clusters","CrystEngComm","2014","16","23","5134","","10.1039/c4ce00295d","","","0.71073","MoKα","","0.0633","0.0579","","","0.179","0.1847","","","","","","1.006","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215768","4.8042","0.0002","14.8701","0.0005","15.6243","0.0005","67.284","0.003","85.298","0.003","88.19","0.003","1026.14","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Tetraglycine","Glycyl-glycyl-glycyl-glycine","","- C8 H14 N4 O5 -","- C8 H14 N4 O5 -","- C32 H56 N16 O20 -","4","2","","Smith, Aaron J.; Ali, Farukh I.; Soldatov, Dmitriy V.","Glycine homopeptides: the effect of the chain length on the crystal structure and solid state reactivity","CrystEngComm","2014","16","31","7196","","10.1039/C4CE00630E","","","1.54184","CuKα","","0.0404","0.0391","","","0.1101","0.1116","","","","","","1.018","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215769","4.7995","0.0003","14.9108","0.0015","17.6905","0.0019","90.203","0.008","94.866","0.007","91.976","0.007","1260.7","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Pentaglycine","Glycyl-glycyl-glycyl-glycyl-glycine","","- C10 H17 N5 O6 -","- C10 H17 N5 O6 -","- C40 H68 N20 O24 -","4","2","","Smith, Aaron J.; Ali, Farukh I.; Soldatov, Dmitriy V.","Glycine homopeptides: the effect of the chain length on the crystal structure and solid state reactivity","CrystEngComm","2014","16","31","7196","","10.1039/C4CE00630E","","","1.54184","CuKα","","0.1074","0.0858","","","0.235","0.2538","","","","","","1.047","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215770","8.63283","0.00015","8.86281","0.00012","10.25772","0.00013","87.4723","0.0011","78.8034","0.0013","66.0794","0.0015","703.24","0.02","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","EMImTDI","1-Ethyl-3-methylimidazolium 4,5-dicyano-2-(trifluoromethyl)imidazole","","- C12 H11 F3 N6 -","- C12 H11 F3 N6 -","- C24 H22 F6 N12 -","2","1","","Niedzicki, Leszek; Karpierz, Ewelina; Zawadzki, Maciej; Dranka, Maciej; Kasprzyk, Marta; Zalewska, Aldona; Marcinek, Marek; Zachara, Janusz; Domańska, Urszula; Wieczorek, Władysław","Lithium cation conducting TDI anion-based ionic liquids.","Physical chemistry chemical physics : PCCP","2014","16","23","11417","11425","10.1039/c3cp55354j","","x-ray","0.7107","MoKα","","0.0421","0.0408","","","0.1078","0.109","","","","","","1.026","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215771","8.28368","0.00013","11.45842","0.00018","12.57923","0.0002","74.9663","0.0014","77.5238","0.0013","78.6965","0.0013","1113.42","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","PMImLiTDI","","","- C19 H13 F6 Li N10 -","- C19 H13 F6 Li N10 -","- C38 H26 F12 Li2 N20 -","2","1","","Niedzicki, Leszek; Karpierz, Ewelina; Zawadzki, Maciej; Dranka, Maciej; Kasprzyk, Marta; Zalewska, Aldona; Marcinek, Marek; Zachara, Janusz; Domańska, Urszula; Wieczorek, Władysław","Lithium cation conducting TDI anion-based ionic liquids.","Physical chemistry chemical physics : PCCP","2014","16","23","11417","11425","10.1039/c3cp55354j","","x-ray","1.5418","CuKα","","0.0285","0.0275","","","0.0704","0.0711","","","","","","1.046","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215772","8.4241","0.00011","11.66815","0.00017","12.85431","0.00018","73.0547","0.0013","74.4505","0.0012","76.756","0.0012","1148.67","0.03","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","BMImLiTDI","","","- C20 H15 F6 Li N10 -","- C20 H15 F6 Li N10 -","- C40 H30 F12 Li2 N20 -","2","1","","Niedzicki, Leszek; Karpierz, Ewelina; Zawadzki, Maciej; Dranka, Maciej; Kasprzyk, Marta; Zalewska, Aldona; Marcinek, Marek; Zachara, Janusz; Domańska, Urszula; Wieczorek, Władysław","Lithium cation conducting TDI anion-based ionic liquids.","Physical chemistry chemical physics : PCCP","2014","16","23","11417","11425","10.1039/c3cp55354j","","x-ray","1.5418","CuKα","","0.0303","0.0298","","","0.0718","0.0721","","","","","","1.075","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215773","12.0355","0.0003","12.7527","0.0004","14.7677","0.001","102.838","0.007","90.637","0.006","96.021","0.007","2196.38","0.19","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","7-((E)-2-(8-butoxy-1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij] quinolin-9-yl)vinyl)-3-((E)-4-(dimethylamino)styryl)-5,5-difluoro-10- (4-iodophenyl)-1,9-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin- 4-ium-5-uide","","- C49 H56 B F2 I N4 O -","- C49 H56 B F2 I N4 O -","- C98 H112 B2 F4 I2 N8 O2 -","2","1","","Nano, Adela; Retailleau, Pascal; Hagon, Jerry P.; Harriman, Anthony; Ziessel, Raymond","A hybrid bis(amino-styryl) substituted Bodipy dye and its conjugate diacid: synthesis, structure, spectroscopy and quantum chemical calculations.","Physical chemistry chemical physics : PCCP","2014","16","21","10187","10198","10.1039/c3cp55021d","","","1.54187","CuKα","","0.1356","0.0779","","","0.1917","0.241","","","","","","1.025","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215774","11.669","0.002","15.533","0.003","15.769","0.003","103.638","0.004","101.205","0.004","107.161","0.005","2544.5","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H69 B I N2 O5 -","- C55 H69 B I N2 O5 -","- C110 H138 B2 I2 N4 O10 -","2","1","","Nano, Adela; Retailleau, Pascal; Hagon, Jerry P.; Harriman, Anthony; Ziessel, Raymond","A hybrid bis(amino-styryl) substituted Bodipy dye and its conjugate diacid: synthesis, structure, spectroscopy and quantum chemical calculations.","Physical chemistry chemical physics : PCCP","2014","16","21","10187","10198","10.1039/c3cp55021d","","","0.7107","MoKα","","0.1015","0.0803","","","0.2098","0.2364","","","","","","1.077","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215775","13.6808","0.0004","12.634","0.0002","12.783","0.0003","90","","116.983","0.004","90","","1968.94","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C3.5 H19.7 F4 Fe4 N2 O14.43 P4 -","- C3.5 H18.57 F4 Fe4 N2 O14.43 P4 -","- C14 H74.28 F16 Fe16 N8 O57.72 P16 -","4","1","","Orive Gomez de Segura, Joseba; Fernández de Luis, Roberto; Rodriguez Fernandez, J.; Legarra, Estibaliz; Plazaola, Fernando; Arriortua, María Isabel","Fluorinated mixed valence Fe(II)-Fe(III) phosphites with channels templated by linear tetramine chains. Structural and magnetic implications of partial replacement of Fe(II) by Co(II)","CrystEngComm","2014","","","","","10.1039/c4ce00264d","","","0.71073","MoKα","","0.0873","0.0867","","","0.2067","0.2069","","","","","","1.128","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215776","13.6823","0.0004","12.6063","0.0003","12.7535","0.0004","90","","116.988","0.004","90","","1960.21","0.12","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C3.5 H20 Co1.29 F4 Fe2.71 N2 O14.38 P4 -","- C3.5 H19.62 Co1.32 F4 Fe2.68 N2 O14.38 P4 -","- C14 H78.48 Co5.28 F16 Fe10.72 N8 O57.52 P16 -","4","1","","Orive Gomez de Segura, Joseba; Fernández de Luis, Roberto; Rodriguez Fernandez, J.; Legarra, Estibaliz; Plazaola, Fernando; Arriortua, María Isabel","Fluorinated mixed valence Fe(II)-Fe(III) phosphites with channels templated by linear tetramine chains. Structural and magnetic implications of partial replacement of Fe(II) by Co(II)","CrystEngComm","2014","","","","","10.1039/c4ce00264d","","","0.71073","MoKα","","0.0676","0.0658","","","0.1384","0.1391","","","","","","1.131","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215779","14.3171","0.0003","17.6113","0.0003","20.4106","0.0003","90","","90","","90","","5146.38","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H56 Ag4 I12 N8 -","- C20 H56 Ag4 I12 N8 -","- C80 H224 Ag16 I48 N32 -","4","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0484","0.0361","","","0.0785","0.0852","","","","","","1.043","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215780","7.7685","0.0003","14.0322","0.0004","12.8393","0.0004","90","","94.638","0.003","90","","1395.02","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H32 Ag2 I6 N4 O2 -","- C10 H32 Ag2 I6 N4 O2 -","- C20 H64 Ag4 I12 N8 O4 -","2","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0373","0.0292","","","0.0597","0.0638","","","","","","1.044","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215781","11.43","0.002","8.641","0.0017","14.858","0.003","90","","109.533","0.003","90","","1383","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H32 Ag2 I6 N4 O2 -","- C10 H28 Ag2 I6 N4 O2 -","- C20 H56 Ag4 I12 N8 O4 -","2","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0384","0.0292","","","0.0778","0.1124","","","","","","1.222","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215782","13.5726","0.0005","25.6551","0.0011","7.9367","0.0003","90","","93.767","0.004","90","","2757.64","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H38 Ag10 I12 N2 O4 S4 -","- C13 H10 Ag10 I12 N2 O4 S4 -","- C26 H20 Ag20 I24 N4 O8 S8 -","2","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0722","0.0516","","","0.1076","0.1185","","","","","","1.045","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215783","8.856","0.0008","9.3709","0.0009","12.7384","0.0012","90","","90","","90","","1057.14","0.17","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H13 Ag I2 N2 -","- C5 H10 Ag I2 N2 -","- C20 H40 Ag4 I8 N8 -","4","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.08","0.0798","","","0.1857","0.1859","","","","","","1.342","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215784","21.0624","0.0007","23.7188","0.0007","24.3861","0.0007","90","","90","","90","","12182.7","0.6","293","2","293","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C9 H26 Ag4 I6 N2 O2 S2 -","- C9 H14 Ag4 I6 N2 O2 S2 -","- C144 H224 Ag64 I96 N32 O32 S32 -","16","1","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0702","0.0455","","","0.0939","0.1041","","","","","","1.07","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215785","10.5218","0.0005","8.1301","0.0004","16.0861","0.0007","90","","97.522","0.004","90","","1364.22","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H13 Ag2 I3 N2 -","- C5 H13 Ag2 I3 N2 -","- C20 H52 Ag8 I12 N8 -","4","1","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0577","0.0391","","","0.0838","0.0967","","","","","","1.038","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215786","8.1241","0.0003","30.3843","0.001","15.6616","0.0005","90","","90","","90","","3866","0.2","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 La2 N5 O14 -","- C27 H23 La2 N5 O14 -","- C108 H92 La8 N20 O56 -","4","0.5","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.051","0.0434","","","0.1085","0.1113","","","","","","1.08","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215787","8.1162","0.0004","30.2842","0.0014","15.6709","0.0007","90","","90","","90","","3851.8","0.3","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 Ce2 N5 O14 -","- C27 H23 Ce2 N5 O14 -","- C108 H92 Ce8 N20 O56 -","4","0.5","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0478","0.0401","","","0.1004","0.1028","","","","","","1.087","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215788","8.5085","0.0004","16.0156","0.0008","27.9393","0.0014","90","","90","","90","","3807.3","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N5 O14 Tb2 -","- C27 H23 N5 O14 Tb2 -","- C108 H92 N20 O56 Tb8 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0513","0.0418","","","0.1008","0.105","","","","","","1.06","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215789","14.2109","0.0005","17.6868","0.0006","14.211","0.0005","90","","118.306","0.002","90","","3144.8","0.2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 Br4 Co2 N4 O9 -","- C24 H14 Br4 Co2 N4 O9 -","- C96 H56 Br16 Co8 N16 O36 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0463","0.0373","","","0.1034","0.1068","","","","","","1.089","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215790","12.0504","0.0003","9.9837","0.0002","24.8139","0.0005","90","","101.298","0.001","90","","2927.45","0.11","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Br2 Cd N2 O4 -","- C12 H6 Br2 Cd N2 O4 -","- C96 H48 Br16 Cd8 N16 O32 -","8","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0275","0.0233","","","0.0457","0.0468","","","","","","1.084","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215791","13.2579","0.0005","11.438","0.0003","28.745","0.001","90","","99.887","0.002","90","","4294.3","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 Mn3 N6 O15 -","- C31 H30 Mn3 N6 O15 -","- C124 H120 Mn12 N24 O60 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.081","0.0668","","","0.1727","0.1797","","","","","","1.043","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215792","10.8285","0.0004","11.1933","0.0004","14.799","0.0006","90","","90","","90","","1793.74","0.12","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N3 O6 Zn -","- C15 H21 N3 O6 Zn -","- C60 H84 N12 O24 Zn4 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.032","0.0283","","","0.0639","0.0651","","","","","","1.042","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215793","9.2879","0.0003","11.9733","0.0003","16.3513","0.0005","90","","101.709","0.0016","90","","1780.54","0.09","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 Cd N3 O6 -","- C15 H21 Cd N3 O6 -","- C60 H84 Cd4 N12 O24 -","4","2","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0398","0.0328","","","0.0653","0.0685","","","","","","1.061","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215794","8.0234","0.0001","30.2439","0.0005","15.328","0.0002","90","","90","","90","","3719.48","0.09","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 N5 O14 Sm2 -","- C27 H23 N5 O14 Sm2 -","- C108 H92 N20 O56 Sm8 -","4","0.5","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.034","0.0294","","","0.0758","0.0781","","","","","","1","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215795","8.127","0.0016","10.346","0.002","10.659","0.002","62.22","0.03","83.15","0.03","79.28","0.03","778.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H19 Cl N2 O7 -","- C11 H19 Cl N2 O7 -","- C22 H38 Cl2 N4 O14 -","2","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.2074","0.1638","","","0.4369","0.4776","","","","","","1.861","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215796","11.802","0.002","15.408","0.003","13.991","0.003","90","","90.28","0.03","90","","2544.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 B F4.5 N O6 -","- C22 H33 B F4.5 N O6 -","- C88 H132 B4 F18 N4 O24 -","4","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.1698","0.0992","","","0.286","0.3369","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215797","12.222","0.002","14.09","0.003","13.8","0.003","90","","98.09","0.03","90","","2352.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 Cl2 N2 O10 -","- C17 Cl2 N2 O10 -","- C68 Cl8 N8 O40 -","4","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.2458","0.2083","","","0.5162","0.5438","","","","","","3.505","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7215798","8.6838","0.0017","14.33","0.003","9.2084","0.0018","90","","103.72","0.03","90","","1113.2","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H31 B F2 N O8 -","- C19 H31 B F2 N O8 -","- C38 H62 B2 F4 N2 O16 -","2","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.0952","0.0537","","","0.1117","0.1283","","","","","","1.023","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215799","17.415","0.004","8.8817","0.0018","23.87","0.005","90","","97.56","0.03","90","","3660","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C H B F N O -","- C1.18033 B0.131148 F0.52459 N0.196721 O0.459016 -","- C72 B8 F32 N12 O28 -","61","15.25","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.5173","0.4559","","","0.7919","0.8207","","","","","","3.32","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215800","8.763","0.0018","14.503","0.003","15.775","0.003","90","","98.41","0.03","90","","1983.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 B F4 N O5 -","- C16 H26 B F4 N O5 -","- C64 H104 B4 F16 N4 O20 -","4","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.1713","0.1006","","","0.2804","0.3355","","","","","","1.08","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215801","15.6904","0.0006","21.8223","0.0008","15.8024","0.0006","90","","113.256","0.001","90","","4971.1","0.3","120","0.2","120.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H63 N3 O13 S2 -","- C50 H61 N3 O13 S2 -","- C200 H244 N12 O52 S8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.2219","0.0752","","","0.151","0.1891","","","","","","0.865","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215802","7.3589","0.0003","20.83","0.0009","11.2706","0.0005","90","","91.727","0.003","90","","1726.84","0.13","120","0.2","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 B F4 N O2 -","- C17 H20 B F4 N O2 -","- C68 H80 B4 F16 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1481","0.079","","","0.1786","0.2012","","","","","","1.043","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215803","7.106","0.002","22.507","0.007","11.576","0.003","90","","90.143","0.008","90","","1851.4","0.9","120","0.2","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 F6 N O2 P -","- C17 H20 F6 N O2 P -","- C68 H80 F24 N4 O8 P4 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1368","0.0632","","","0.1223","0.1431","","","","","","0.972","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215804","14.2243","0.001","14.419","0.0009","22.4404","0.0015","90","","104.933","0.004","90","","4447.1","0.5","100","0.2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N4 O9 -","- C23 H22 N4 O9 -","- C184 H176 N32 O72 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","1.54178","CuKα","","0.111","0.084","","","0.2049","0.2272","","","","","","1.046","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215805","11.737","0.001","26.623","0.002","8.2528","0.0007","90","","109.714","0.003","90","","2427.6","0.3","120","0.2","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N4 O9 -","- C26 H25 N4 O9 -","- C104 H100 N16 O36 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1808","0.0808","","","0.1869","0.2235","","","","","","0.914","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215806","8.9861","0.0004","9.0343","0.0004","40.1047","0.0017","90","","90","","90","","3255.8","0.2","120","0.2","120.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H40 B N O2 -","- C41 H40 B N O2 -","- C164 H160 B4 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1312","0.0732","","","0.113","0.1282","","","","","","0.962","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215807","7.3008","0.0003","20.8807","0.0006","11.3281","0.0004","90","","91.918","0.002","90","","1725.95","0.11","120","0.2","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 B F4 N O2 -","- C17 H20 B F4 N O2 -","- C68 H80 B4 F16 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.0996","0.0572","","","0.1336","0.1478","","","","","","1.045","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215808","7.319","0.002","20.852","0.007","11.302","0.004","90","","91.835","0.005","90","","1724","1","170.2","0.2","170.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 B F4 N O2 -","- C17 H20 B F4 N O2 -","- C68 H80 B4 F16 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.083","0.0601","","","0.1668","0.1791","","","","","","1.093","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215809","16.3042","0.0011","22.6007","0.0008","17.1913","0.0009","90","","115.29","0.007","90","","5727.6","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H84 Co2 N30 O42 Si W12 -","- C90 H80 Co2 N30 O42 Si W12 -","- C180 H160 Co4 N60 O84 Si2 W24 -","2","0.5","","Luo, Yu-Hui; Yu, Xiao-Yang; Zhang, Hong","Two unprecedented entangled coordination polymers based on α-{SiW12O40}4−","CrystEngComm","2014","16","29","6664","","10.1039/c4ce00550c","","","0.71073","MoKα","","0.1189","0.0682","","","0.1111","0.1338","","","","","","1.078","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215810","12.6869","0.0007","22.7919","0.0014","28.5112","0.0019","90","","90","","90","","8244.3","0.9","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C54 H54 Cu2 N18 O43 Si W12 -","- C54 H50 Cu2 N18 O43 Si W12 -","- C216 H200 Cu8 N72 O172 Si4 W48 -","4","0.5","","Luo, Yu-Hui; Yu, Xiao-Yang; Zhang, Hong","Two unprecedented entangled coordination polymers based on α-{SiW12O40}4−","CrystEngComm","2014","16","29","6664","","10.1039/c4ce00550c","","","0.71073","MoKα","","0.0978","0.0834","","","0.1566","0.1636","","","","","","1.06","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215811","39.799","0.002","31.5266","0.0009","22.974","0.0011","90","","117.023","0.006","90","","25679","2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C304 H496 Gd7 N80 Na7 O254 S32 -","- C304 H276 Gd7 N80 Na7 O254 S32 -","- C608 H552 Gd14 N160 Na14 O508 S64 -","2","0.25","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Manipulating the conformation and interplay of p-sulfonated calix[4]arenes by lower rim tri-substitution with N′-cyanocarbamimidate groups","CrystEngComm","2014","16","23","5159","","10.1039/c4ce00336e","","","0.71073","MoKα","","0.2253","0.142","","","0.2837","0.3217","","","","","","1.178","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215812","12.936","0.003","12.022","0.002","14.578","0.003","90","","90","","90","","2267.1","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Br N O3 -","- C11 H10 Br N O3 -","- C88 H80 Br8 N8 O24 -","8","1","","Zou, You-Quan; Guo, Wei; Liu, Feng-Lei; Lu, Liang-Qiu; Chen, Jia-Rong; Xiao, Wen-Jing","Visible-light-induced photocatalytic formyloxylation reactions of 3-bromooxindoles with water and DMF: the scope and mechanism","Green Chemistry","2014","16","8","3787","","10.1039/C4GC00647J","","","0.71073","MoKα","","0.0491","0.0346","","","0.1023","0.1224","","","","","","1.053","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215813","9.1726","0.0005","10.6903","0.0006","10.7126","0.0006","73.15","0.005","80.841","0.005","64.809","0.005","908.96","0.1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H26 F4 N8 O4 -","- C44 H26 F4 N8 O4 -","- C44 H26 F4 N8 O4 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.54184","CuKα","","0.0457","0.0404","","","0.1051","0.1092","","","","","","1.088","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215814","10.2589","0.0002","12.2242","0.0002","22.2473","0.0005","90","","95.29","0.002","90","","2778.08","0.09","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 F4 N8 O4 -","- C32 H24 F4 N8 O4 -","- C128 H96 F16 N32 O16 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0527","0.0457","","","0.1267","0.132","","","","","","1.07","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215815","8.1317","0.0004","9.043","0.0005","15.1631","0.0007","96.3","0.004","98.584","0.004","116.492","0.005","966.98","0.1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 F2 N4 O2 -","- C24 H15 F2 N4 O2 -","- C48 H30 F4 N8 O4 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.54184","CuKα","","0.036","0.0336","","","0.088","0.0898","","","","","","1.056","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215816","8.0055","0.0005","8.5844","0.0005","15.3367","0.0008","74.027","0.005","88.077","0.005","67.144","0.006","930.52","0.11","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N4 O2 -","- C24 H17 N4 O2 -","- C48 H34 N8 O4 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0439","0.0372","","","0.0957","0.1007","","","","","","1.042","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215817","8.6578","0.0007","9.6463","0.0006","11.6657","0.0007","109.413","0.006","101.096","0.006","92.685","0.006","895.22","0.11","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 F4 N8 -","- C40 H38 F4 N8 -","- C40 H38 F4 N8 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.54184","CuKα","","0.056","0.0473","","","0.1244","0.1334","","","","","","1.029","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215818","12.904","0.001","13.3891","0.0008","19.189","0.0012","76.376","0.005","75.564","0.006","65.911","0.006","2897.3","0.4","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H28 F4 N8 O0.5 -","- C30.5 H28 F4 N8 O0.5 -","- C122 H112 F16 N32 O2 -","4","2","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.1462","0.0657","","","0.1591","0.2157","","","","","","0.91","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215819","11.375","0.0003","7.1927","0.0002","12.4527","0.0003","90","","93.83","0.002","90","","1016.57","0.05","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 F4 N6 -","- C24 H14 F4 N6 -","- C48 H28 F8 N12 -","2","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.54184","CuKα","","0.0377","0.033","","","0.0882","0.0917","","","","","","1.07","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215820","7.2739","0.0009","8.9106","0.0011","14.8749","0.0018","105.302","0.01","98.243","0.01","102.661","0.01","886.3","0.2","130","2","130.4","0.9","","","","","","","","4","P -1","-P 1","2","","","","- C48 H30 F4 N6 -","- C48 H30 F4 N6 -","- C48 H30 F4 N6 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.109","0.0636","","","0.1595","0.211","","","","","","0.971","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215821","13.4546","0.0011","11.4276","0.001","9.1962","0.0009","90","","101.49","0.008","90","","1385.6","0.2","130","0.1","130","0.1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C32 H32 F4 N8 -","- C32 H32 F4 N8 -","- C64 H64 F8 N16 -","2","0.25","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0622","0.0523","","","0.1459","0.1557","","","","","","1.073","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215822","8.0153","0.0004","10.5291","0.0007","11.0731","0.0007","73.207","0.005","69.339","0.005","74.309","0.005","822.17","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H22 F4 N8 O4.5 -","- C36.5 H22 F4 N8 O4.5 -","- C36.5 H22 F4 N8 O4.5 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.54184","CuKα","","0.0542","0.0472","","","0.1307","0.1385","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215823","8.2034","0.0005","10.8428","0.001","10.9912","0.001","95.047","0.007","109.56","0.007","108.643","0.007","851.82","0.14","130","2","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H20 F4 N10 O8 -","- C36 H20 F4 N10 O8 -","- C36 H20 F4 N10 O8 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0554","0.0383","","","0.1014","0.1076","","","","","","1.1","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215824","18.3535","0.0005","18.1472","0.0005","7.4618","0.0002","90","","101.507","0.002","90","","2435.31","0.12","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 F4 N6 -","- C30 H18 F4 N6 -","- C120 H72 F16 N24 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0372","0.0333","","","0.0903","0.094","","","","","","1.052","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215825","5.0039","0.0003","15.2708","0.0008","16.7605","0.001","90","","95.417","0.006","90","","1275.01","0.13","130.01","0.1","130.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 F4 N6 -","- C32 H22 F4 N6 -","- C64 H44 F8 N12 -","2","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0977","0.0948","","","0.2791","0.2812","","","","","","1.145","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215826","5.4139","0.0005","10.4083","0.0011","13.9398","0.0017","104.24","0.01","98.724","0.009","104.128","0.009","719.36","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H22 F4 N6 -","- C38 H22 F4 N6 -","- C38 H22 F4 N6 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0461","0.0401","","","0.1094","0.1156","","","","","","1.063","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215827","6.511","0.0003","16.6335","0.0006","11.4633","0.0004","90","","94.157","0.003","90","","1238.22","0.08","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 F4 N6 -","- C32 H20 F4 N6 -","- C64 H40 F8 N12 -","2","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0482","0.0436","","","0.1265","0.1304","","","","","","1.073","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215828","3.9459","0.0002","22.7301","0.0008","11.1951","0.0005","90","","107.725","0.004","90","","956.43","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0514","0.0419","","","0.1043","0.1101","","","","","","1.048","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215829","4.0274","0.0003","22.705","0.0016","11.2415","0.0006","90","","107.874","0.007","90","","978.33","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0666","0.0453","","","0.1059","0.1167","","","","","","1.031","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215830","5.2575","0.0006","22.8695","0.0016","7.9917","0.0009","90","","90.61","0.013","90","","960.84","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","2","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0661","0.0585","","","0.1514","0.1591","","","","","","1.11","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215831","24.078","0.002","5.2381","0.0002","15.9279","0.0013","90","","109.382","0.009","90","","1895","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C96 H80 N16 O8 -","8","1","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0644","0.0465","","","0.1109","0.1214","","","","","","1.03","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215832","24.1282","0.0015","5.2571","0.0002","16.125","0.0011","90","","109.197","0.005","90","","1931.6","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C96 H80 N16 O8 -","8","1","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0738","0.0538","","","0.1043","0.1119","","","","","","1.11","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215833","15.026","0.009","15.473","0.009","15.512","0.009","108.495","0.005","117.49","","96.862","0.006","2879","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Cl2 Cu3 Eu N4 O22 -","- C48 H42 Cl2 Cu3 Eu N4 O22 -","- C96 H84 Cl4 Cu6 Eu2 N8 O44 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Bilayer architecture based on hexanuclear heterometal cluster units","CrystEngComm","2014","16","29","6790","","10.1039/c4ce00747f","","","0.71073","MoKα","","0.1172","0.0882","","","0.2165","0.2465","","","","","","1.048","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215834","14.0612","0.0002","16.1146","0.0002","15.5087","0.0002","90","","103.837","0.002","90","","3412.15","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 In O8 -","- C28 H16 In O8 -","- C112 H64 In4 O32 -","4","1","","Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Li, Qipeng; Zhou, Kang; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun","Sorption comparison of two indium‒organic framework isomers with syn‒anti configurations","CrystEngComm","2014","16","32","7434","","10.1039/C4CE00712C","","","1.54184","CuKα","","0.0382","0.036","","","0.1226","0.1251","","","","","","1.014","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215835","10.7454","0.0001","10.7454","0.0001","14.4927","0.0005","90","","90","","90","","1673.38","0.06","173","2","173","2","","","","","","","","4","P -4 2 c","P -4 2c","112","","","","- C7 H4 In0.25 O2 -","- C7 H4 In0.25 O2 -","- C56 H32 In2 O16 -","8","1","","Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Li, Qipeng; Zhou, Kang; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun","Sorption comparison of two indium‒organic framework isomers with syn‒anti configurations","CrystEngComm","2014","16","32","7434","","10.1039/C4CE00712C","","","1.54184","CuKα","","0.0577","0.0511","","","0.1688","0.1815","","","","","","1.118","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215836","7.958","0.0016","9.157","0.0018","10.069","0.002","76.71","0.03","84.84","0.03","67.98","0.03","662","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 Ag2 F6 N4 O6 S2 -","- C22 H20 Ag2 F6 N4 O6 S2 -","- C22 H20 Ag2 F6 N4 O6 S2 -","1","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.7108","synchrotron","","0.0211","0.0208","","","0.0494","0.0496","","","","","","1.186","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215837","25.839","0.006","11.48","0.003","24.597","0.008","90","","113.623","0.013","90","","6685","3","123","2","123.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H58 Ag4 F12 N8 O15 S4 -","- C53 H58 Ag4 F12 N8 O15 S4 -","- C212 H232 Ag16 F48 N32 O60 S16 -","4","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.1189","0.0589","","","0.1224","0.1506","","","","","","0.984","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215838","8.2084","0.0004","10.3939","0.0004","12.6354","0.0006","71.597","0.002","77.611","0.003","86.597","0.002","999.03","0.08","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H22 Ag F6 N2 O2 P -","- C16 H22 Ag F6 N2 O2 P -","- C32 H44 Ag2 F12 N4 O4 P2 -","2","1","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0604","0.0397","","","0.0679","0.0755","","","","","","1.034","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215839","8.289","0.0017","9.838","0.002","11.203","0.002","102.51","0.03","102.92","0.03","93.06","0.03","864.3","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 Ag2 F6 N4 O8 S2 -","- C28 H32 Ag2 F6 N4 O8 S2 -","- C28 H32 Ag2 F6 N4 O8 S2 -","1","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.7108","Synchrotron","","0.0385","0.0352","","","0.0895","0.0916","","","","","","1.051","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215840","13.631","0.0008","16.7804","0.0008","10.9261","0.0006","90","","115.623","0.002","90","","2253.4","0.2","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21 H20 Ag F3 N4 O3 S -","- C21 H20 Ag F3 N4 O3 S -","- C84 H80 Ag4 F12 N16 O12 S4 -","4","1","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0468","0.0396","","","0.0833","0.0875","","","","","","1.023","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215841","6.5627","0.0005","8.2007","0.0007","8.5966","0.0007","83.164","0.004","71.318","0.003","71.589","0.003","415.77","0.06","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C20 H20 N4 -","1","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0704","0.0517","","","0.1247","0.1372","","","","","","1.109","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215842","6.1328","0.0005","7.1872","0.0006","10.0545","0.0009","78.816","0.005","74.898","0.005","79.084","0.006","415.21","0.06","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C20 H20 N4 -","1","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0741","0.05","","","0.1049","0.1158","","","","","","1.07","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215843","38.973","0.008","11.992","0.002","17.704","0.004","90","","105.94","0.03","90","","7956","3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 Cu2 I2 N2 P2 -","- C42 H32 Cu2 I2 N2 P2 -","- C336 H256 Cu16 I16 N16 P16 -","8","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0382","0.0336","","","0.0743","0.0761","","","","","","1.358","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215844","10.1854","0.0012","13.224","0.003","28.904","0.006","90","","90","","90","","3893.1","1.3","148","2","148","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 Cu3 I3 N2 P2 -","- C38 H36 Cu3 I3 N2 P2 -","- C152 H144 Cu12 I12 N8 P8 -","4","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0431","0.0356","","","0.0632","0.0656","","","","","","1.238","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215845","15.983","0.003","11.391","0.002","16.357","0.003","90","","108.82","0.03","90","","2818.8","1","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Cu I N P2 -","- C31 H27 Cu I N P2 -","- C124 H108 Cu4 I4 N4 P8 -","4","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0543","0.0357","","","0.045","0.0475","","","","","","1.377","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215846","23.986","0.005","13.948","0.003","21.765","0.004","90","","109.18","0.03","90","","6877","3","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H43 Cu2 I2 N P2 -","- C23 H43 Cu2 I2 N P2 -","- C184 H344 Cu16 I16 N8 P16 -","8","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0501","0.0377","","","0.0605","0.0618","","","","","","1.692","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215847","15.3727","0.0011","16.4442","0.0012","14.2397","0.0011","90","","122.25","0.001","90","","3044.3","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H43 Cu3 I3 N P2 -","- C23 H43 Cu3 I3 N P2 -","- C92 H172 Cu12 I12 N4 P8 -","4","0.5","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0339","0.0295","","","0.0641","0.0664","","","","","","1.248","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215848","9.1258","0.0003","11.138","0.0004","11.3262","0.0004","77.317","0.003","68.681","0.004","79.25","0.003","1039.05","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 La N O9 S3 -","- C12 H19 La N O9 S3 -","- C24 H38 La2 N2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.0279","0.0262","","","0.0721","0.0738","","","","","","1.015","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215849","9.14","0.0005","11.1538","0.0003","11.2716","0.0006","77.261","0.003","68.453","0.005","78.843","0.003","1034.43","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 N Nd O9 S3 -","- C12 H19 N Nd O9 S3 -","- C24 H38 N2 Nd2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.0307","0.0269","","","0.0706","0.0728","","","","","","1.108","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215850","9.1686","0.0005","11.1145","0.0007","11.1899","0.0008","77.156","0.006","68.195","0.006","78.35","0.005","1023.21","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 Eu N O9 S3 -","- C12 H19 Eu N O9 S3 -","- C24 H38 Eu2 N2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.056","0.041","","","0.0825","0.0884","","","","","","1.054","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215851","9.1742","0.0005","11.1153","0.0005","11.1714","0.0005","77.009","0.004","68.082","0.005","78.222","0.004","1020.66","0.09","288","2","288","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 Gd N O9 S3 -","- C12 H23 Gd N O9 S3 -","- C24 H46 Gd2 N2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.0319","0.0288","","","0.0767","0.0793","","","","","","1.03","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215852","8.2735","0.0004","8.6746","0.0005","13.565","0.0007","103.465","0.005","95.601","0.004","117.312","0.005","817.36","0.09","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H18 La O9 S3 -","- C9 H18 La O9 S3 -","- C18 H36 La2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.0342","0.0309","","","0.0676","0.0706","","","","","","0.972","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215853","5.496","0.0009","12.831","0.002","17.881","0.003","90","","93.872","0.003","90","","1258.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N O4 -","- C12 H18 N O4 -","- C48 H72 N4 O16 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0991","0.0791","","","0.223","0.2435","","","","","","1.083","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215854","9.6944","0.0004","17.9372","0.0007","18.6161","0.0006","90","","91.427","0.003","90","","3236.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O8 -","- C22 H24 N2 O8 -","- C132 H144 N12 O48 -","6","1.5","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.1007","0.0781","","","0.225","0.254","","","","","","1.069","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215855","7.3345","0.0007","10.9381","0.0011","15.0352","0.0015","90","","92.804","0.002","90","","1204.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N2 O5 -","- C11 H13 N2 O5 -","- C44 H52 N8 O20 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0712","0.0597","","","0.1634","0.1768","","","","","","1.042","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215856","14.65","0.007","12.512","0.006","14.649","0.007","90","","93.13","","90","","2681","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O6 -","- C30 H28 N2 O6 -","- C120 H112 N8 O24 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0929","0.0573","","","0.1806","0.2065","","","","","","1.091","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215857","7.8574","0.0013","8.3711","0.0011","11.1437","0.0013","88.282","0.002","72.163","0.001","84.647","0.002","694.7","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N2 O7 -","- C12 H13 N2 O7 -","- C24 H26 N4 O14 -","2","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0692","0.0612","","","0.1773","0.1872","","","","","","1.071","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215858","7.5343","0.0014","8.9454","0.0017","12.885","0.003","99.769","0.004","103.689","0.004","108.465","0.003","771.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C32 H36 N4 O8 -","2","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0967","0.0873","","","0.2292","0.2474","","","","","","1.053","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215859","7.4101","0.0006","10.2133","0.0009","15.0232","0.0016","90","","95.937","0.009","90","","1130.88","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N O4 -","- C12 H12 N O4 -","- C48 H48 N4 O16 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0641","0.0527","","","0.1532","0.1611","","","","","","1.047","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215860","9.3995","0.0012","17.904","0.002","11.3775","0.0013","90","","93.243","0.002","90","","1911.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N3 O3 -","- C19 H24 N3 O3 -","- C76 H96 N12 O12 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.1075","0.0712","","","0.1963","0.2241","","","","","","0.996","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215861","8.4229","0.0005","11.1372","0.0006","17.7581","0.0011","79.11","0.003","79.382","0.004","84.189","0.003","1604.02","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65.4 H56.8 Cl4 N12 O3 Zn2 -","- C65.4 H53.6 Cl4 N12 O3 Zn2 -","- C65.4 H53.6 Cl4 N12 O3 Zn2 -","1","0.5","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.1128","0.0583","","","0.1542","0.1841","","","","","","1.02","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7215862","8.265","0.001","11.174","0.001","16.397","0.002","91.485","0.005","91.295","0.005","94.105","0.005","1509.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.25 H25.5 Cl2.5 Co N6 O0.5 -","- C32.25 H24.5 Cl2.5 Co N6 O0.5 -","- C64.5 H49 Cl5 Co2 N12 O -","2","1","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.0565","0.0377","","","0.0949","0.1063","","","","","","1.055","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7215863","13.7825","0.0009","14.8655","0.001","18.2258","0.0011","70.21","0.002","79.959","0.003","64.388","0.003","3166.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 N6 O4 Zn -","- C36 H30 N6 O4 Zn -","- C144 H120 N24 O16 Zn4 -","4","2","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.0725","0.0437","","","0.1052","0.1179","","","","","","1.03","","","","has coordinates","192777","2020-10-21","18:00:00",""
"7215864","13.964","0.002","14.768","0.002","31.254","0.004","90","","102.32","0.009","90","","6296.8","1.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H53 F12 Fe N12 O2.5 P2 -","- C64 H48 F12 Fe N12 O2.5 P2 -","- C256 H192 F48 Fe4 N48 O10 P8 -","4","1","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.1074","0.0571","","","0.1345","0.1599","","","","","","1.035","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7215865","9.1075","0.001","33.618","0.004","11.0207","0.0012","90","","107.945","0.002","90","","3210.1","0.6","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C65.5 H57 Cl2.5 F3 Fe N12 O12.5 P0.5 -","- C65.5 H55 Cl2.5 F3 Fe N12 O12.5 P0.5 -","- C131 H110 Cl5 F6 Fe2 N24 O25 P -","2","1","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.1352","0.0823","","","0.2049","0.2357","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215866","12.4067","0.0009","12.7587","0.001","12.7752","0.001","119.538","0.001","118.76","0.0009","90.313","0.001","1462.2","0.2","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C52 H52 Cd F12 N20 O4 P2 -","- C52 H52 Cd F12 N20 O4 P2 -","- C52 H52 Cd F12 N20 O4 P2 -","1","1","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.0833","0.0604","","","0.1291","0.1893","","","","","","1.166","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215867","10.1946","0.0014","11.962","0.0017","12.8764","0.0018","91.286","0.002","90.548","0.002","109.725","0.003","1477.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13.5 H16 Cd0.25 N5.5 O3.5 -","- C13.5 H16 Cd0.25 N5.5 O3.5 -","- C54 H64 Cd N22 O14 -","4","2","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.072","0.0484","","","0.1039","0.1652","","","","","","1.107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215868","10.1883","0.0006","10.9694","0.0007","15.1248","0.0009","70.455","0.001","75.248","0.001","89.571","0.001","1534.82","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Cd0.5 Cl1.5 N5 O2.5 -","- C13 H13 Cd0.5 Cl1.5 N5 O2.5 -","- C52 H52 Cd2 Cl6 N20 O10 -","4","2","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.0675","0.057","","","0.1575","0.1727","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215869","9.8188","0.0012","11.2793","0.0013","16.186","0.002","109.391","0.003","92.323","0.002","97.053","0.002","1671.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Cd N10 O8 -","- C31 H38 Cd N10 O8 -","- C62 H76 Cd2 N20 O16 -","2","1","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.0478","0.0394","","","0.096","0.1288","","","","","","1.188","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215870","11.7717","0.0003","18.0229","0.0004","13.5418","0.0005","90","","105.695","0.003","90","","2765.91","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cd N4 S4 -","- C28 H26 Cd N4 S4 -","- C112 H104 Cd4 N16 S16 -","4","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0743","0.0454","","","0.0949","0.105","","","","","","1.026","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215871","11.41","0.003","18.178","0.003","13.445","0.002","90","","106.57","0.02","90","","2672.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cd N6 S4 -","- C26 H24 Cd N6 S4 -","- C104 H96 Cd4 N24 S16 -","4","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0647","0.0404","","","0.0779","0.0859","","","","","","1.017","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215872","10.565","0.0005","9.85","0.0005","25.1585","0.0018","90","","90","","90","","2618.1","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cd N4 O2 S4 -","- C24 H22 Cd N4 O2 S4 -","- C96 H88 Cd4 N16 O8 S16 -","4","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0632","0.041","","","0.0817","0.0899","","","","","","1.077","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215873","11.4651","0.0009","12.8858","0.001","18.191","0.0011","90","","90","","90","","2687.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cd N4 S6 -","- C24 H22 Cd N4 S6 -","- C96 H88 Cd4 N16 S24 -","4","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0448","0.0346","","","0.0823","0.0868","","","","","","1.097","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215874","12.3203","0.0018","12.758","0.002","13.4692","0.0019","109.13","0.016","96.998","0.012","107.782","0.015","1845.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H70 Cd2 N14 O2 S8 -","- C70 H70 Cd2 N14 O2 S8 -","- C70 H70 Cd2 N14 O2 S8 -","1","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.1033","0.0576","","","0.1452","0.1672","","","","","","0.998","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215875","12.2619","0.001","14.0531","0.0016","14.1351","0.0012","111.871","0.009","101.167","0.007","97.391","0.008","2163","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H84 Cd3 N6 O6 S12 -","- C84 H84 Cd3 N6 O6 S12 -","- C84 H84 Cd3 N6 O6 S12 -","1","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.1264","0.0621","","","0.1534","0.1869","","","","","","0.954","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215876","6.4939","0.0017","7.0655","0.0011","7.978","0.002","91.64","0.016","101.564","0.009","110.577","0.014","333.78","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","sodium hydrogen D,L-tartrate monohydrate","","","- C4 H7 Na O7 -","- C4 H7 Na O7 -","- C8 H14 Na2 O14 -","2","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M.","Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates","CrystEngComm","2014","","","","","10.1039/c4ce00291a","","","0.71073","MoKα","","0.0751","0.0477","","","0.0999","0.1124","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215877","5.0645","0.0003","7.2545","0.0005","9.957","0.0006","72.369","0.004","85.46","0.004","85.837","0.003","347.09","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","caesium D,L-hydrogen tartrate","","","- C4 H5 Cs O6 -","- C4 H5 Cs O6 -","- C8 H10 Cs2 O12 -","2","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M.","Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates","CrystEngComm","2014","","","","","10.1039/c4ce00291a","","","0.71073","MoKα","","0.0302","0.0288","","","0.0696","0.0707","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215878","5.0731","0.0003","16.9391","0.0012","10.5094","0.0009","90","","98.777","0.002","90","","892.54","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","caesium lithium D,L-tartrate dihydrate","","","- C4 H8 Cs Li O8 -","- C4 H8 Cs Li O8 -","- C16 H32 Cs4 Li4 O32 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M.","Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates","CrystEngComm","2014","","","","","10.1039/c4ce00291a","","","0.71073","MoKα","","0.0553","0.0394","","","0.0737","0.0782","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215879","7.2835","0.0005","7.2835","0.0005","13.2453","0.0007","90","","90","","120","","608.52","0.07","120","2","120","2","","","","","","","","5","P 31 2 1","P 31 2""","152","caesium rubidium D,L-tartrate","","","- C4 H4 Cs O6 Rb -","- C4 H4 Cs O6 Rb -","- C12 H12 Cs3 O18 Rb3 -","3","0.5","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M.","Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates","CrystEngComm","2014","","","","","10.1039/c4ce00291a","","","0.71073","MoKα","","0.0276","0.0259","","","0.0621","0.0627","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215880","5.5482","0.0002","12.026","0.0005","8.5725","0.0003","90","","104.639","0.0024","90","","553.41","0.04","298","2","298","2","","","","","","","Polymorph Screening","5","P 1 21 1","P 2yb","4","zalcitabine hydrochloride","2',3'-dideoxycytidine hydrochloride","","- C9 H14 Cl N3 O3 -","- C9 H14 Cl N3 O3 -","- C18 H28 Cl2 N6 O6 -","2","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.044","0.0407","","","0.1048","0.1083","","","","","","1.074","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215881","5.4672","0.002","11.978","0.0029","8.5397","0.002","90","","105.327","0.0018","90","","539.3","0.3","100","2","100","2","","","","","","","Polymorph Screening","5","P 1 21 1","P 2yb","4","zalcitabine hydrochloride","2',3'-dideoxycytidine hydrochloride","","- C9 H14 Cl N3 O3 -","- C9 H14 Cl N3 O3 -","- C18 H28 Cl2 N6 O6 -","2","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.0413","0.0403","","","0.1035","0.1053","","","","","","1.068","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215882","6.692","0.001","8.886","0.001","10.412","0.001","105.22","0.01","99.04","0.01","107.5","0.01","550.72","0.13","100","2","100","2","","","","","","","Polymorph Screening","6","P 1","P 1","1","lamivudine zalcitabine hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride 2',3'-dideoxycytidine hydrochloride co-crystal","","- C17 H26 Cl2 N6 O6 S -","- C17 H26 Cl2 N6 O6 S -","- C17 H26 Cl2 N6 O6 S -","1","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.0792","0.0656","","","0.1453","0.1558","","","","","","1.099","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215883","9.8","0.005","16.008","0.005","34.268","0.005","90","","90","","90","","5376","3","293","2","293","2","","","","","","","synthesis as described","8","P 21 21 21","P 2ac 2ab","19","Compound X","","","- C57 H56 Cl N5 O9 P2 Ru S -","- C57 H56 Cl N5 O9 P2 Ru S -","- C228 H224 Cl4 N20 O36 P8 Ru4 S4 -","4","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.1054","0.0692","","","0.1495","0.1655","","","","","","1.032","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215884","10.432","0.001","20.6","0.003","27.012","0.005","90","","98.2","0.05","90","","5745.5","1.6","293","2","293","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","ctd_cwbpy","","","- C114.5 H115 Cl2 N10 O21 P4 Ru2 -","- C114.5 H115 Cl2 N10 O21 P4 Ru2 -","- C229 H230 Cl4 N20 O42 P8 Ru4 -","2","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.0767","0.0469","","","0.108","0.1184","","","","","","1.001","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215885","15.0914","0.0002","16.7363","0.0003","13.0708","0.0003","90","","90","","90","","3301.35","0.11","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H35 N6 O13 Tb -","- C30 H35 N6 O13 Tb -","- C120 H140 N24 O52 Tb4 -","4","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Hsu, Chien-Wei; Lehn, Jean-Marie; Su, Cheng-Yong","Photoluminescent 3D lanthanide MOFs with a rare (10,3)-d net based on a new tripodal organic linker","CrystEngComm","2014","16","28","6469","","10.1039/c4ce00586d","","","1.54178","CuKα","","0.0354","0.0297","","","0.0655","0.0666","","","","","","1.052","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215886","15.1122","0.0002","16.7251","0.0002","13.2575","0.0002","90","","90","","90","","3350.87","0.08","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H35 Ce N6 O13 -","- C30 H35 Ce N6 O13 -","- C120 H140 Ce4 N24 O52 -","4","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Hsu, Chien-Wei; Lehn, Jean-Marie; Su, Cheng-Yong","Photoluminescent 3D lanthanide MOFs with a rare (10,3)-d net based on a new tripodal organic linker","CrystEngComm","2014","16","28","6469","","10.1039/c4ce00586d","","","1.54178","CuKα","","0.0318","0.0289","","","0.0683","0.0692","","","","","","0.997","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215887","5.05836","0.00011","7.1121","0.0003","45.2723","0.0017","90","","90","","90","","1628.7","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen L-alanine","(+)-(S)-2-(6-methoxynaphthalen-2-yl) propanoic acid (S)-2-Aminopropionic acid","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","","x-ray","0.68239","","","0.0512","0.05","","","0.1338","0.1349","","","","","","1.096","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215888","5.3366","0.0004","6.9013","0.0006","44.227","0.004","90","","90","","90","","1628.9","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen D-alanine","(+)-(S)-2-(6-methoxynaphthalen-2-yl) propanoic acid (R)-2-Aminopropionic acid","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","","x-ray","0.71073","MoKα","","0.1001","0.0833","","","0.2141","0.2249","","","","","","1.139","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215889","5.88418","0.00016","11.3844","0.0003","34.6863","0.0009","90","","90","","90","","2323.56","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen D-tryptophan monohydrate","(+)-(S)-2-(6-methoxynaphthalen-2-yl) propanoic acid (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid monohydrate","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","","x-ray","0.71073","MoKα","","0.0688","0.046","","","0.0901","0.0992","","","","","","1.033","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215890","9.4508","0.0004","5.9725","0.0002","18.9525","0.0007","90","","103.814","0.002","90","","1038.83","0.07","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","S-naproxen D-tyrosine","(+)-(S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (R)-2-Amino-3-(4-hydroxyphenyl)propanoic acid","","- C23 H25 N O6 -","- C23 H25 N O6 -","- C46 H50 N2 O12 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","powder diffraction","x-ray","0.823065","","","","","","","","","","8.9902","32.9759","","","","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215891","7.339","0.005","3.915","0.003","22.078","0.014","90","","99.08","0.009","90","","626.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br2 S2 -","- C14 H6 Br2 S2 -","- C28 H12 Br4 S4 -","2","0.5","","Vyas, Vijay S.; Gutzler, Rico; Nuss, Jürgen; Kern, Klaus; Lotsch, Bettina V.","Optical gap in herringbone and π-stacked crystals of [1]benzothieno[3,2-b]benzothiophene and its brominated derivative","CrystEngComm","2014","16","32","7389","","10.1039/C4CE00752B","","x-ray","0.71073","MoKα","","0.0966","0.092","","","0.2529","0.2555","","","","","","1.187","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215892","11.8009","0.0018","5.8622","0.0009","7.9331","0.0012","90","","105.974","0.003","90","","527.61","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C28 H16 S4 -","2","0.5","","Vyas, Vijay S.; Gutzler, Rico; Nuss, Jürgen; Kern, Klaus; Lotsch, Bettina V.","Optical gap in herringbone and π-stacked crystals of [1]benzothieno[3,2-b]benzothiophene and its brominated derivative","CrystEngComm","2014","16","32","7389","","10.1039/C4CE00752B","","x-ray","0.71073","MoKα","","0.0298","0.0263","","","0.0717","0.0745","","","","","","1.087","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215893","9.615","0.0003","21.122","0.0009","13.152","0.0004","90","","91.126","0.003","90","","2670.5","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cd3 N14 O12 -","- C40 H52 Cd3 N14 O12 -","- C80 H104 Cd6 N28 O24 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0569","0.0482","","","0.1681","0.1783","","","","","","1.005","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215894","9.628","0.0004","21.337","0.0007","13.208","0.0004","90","","91.953","0.003","90","","2711.78","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cd3 N14 O12 -","- C44 H34 Cd3 N14 O12 -","- C88 H68 Cd6 N28 O24 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0445","0.0356","","","0.0792","0.085","","","","","","1.08","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215895","9.638","0.0012","15.443","0.0015","18.717","0.0016","90","","90","","90","","2785.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Cd3 N18 O12 -","- C44 H56 Cd3 N18 O12 -","- C88 H112 Cd6 N36 O24 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0624","0.0427","","","0.0853","0.0953","","","","","","1.007","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215896","10.974","0.0005","22.669","0.0013","14.106","0.0007","90","","96.637","0.004","90","","3485.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H72 Cd3 N32 O7 -","- C48 H72 Cd3 N32 O7 -","- C96 H144 Cd6 N64 O14 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.118","0.0599","","","0.1079","0.1343","","","","","","1.027","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215897","11.029","0.0004","22.762","0.0007","14.48","0.0004","90","","97.147","0.003","90","","3606.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cd3 N32 O7 -","- C54 H70 Cd3 N32 O7 -","- C108 H140 Cd6 N64 O14 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0808","0.0457","","","0.0877","0.1053","","","","","","1.051","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215898","11.054","0.0005","22.723","0.001","14.666","0.0007","90","","96.8","0.004","90","","3657.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Cd3 N38 O6 -","- C54 H76 Cd3 N38 O6 -","- C108 H152 Cd6 N76 O12 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0506","0.0375","","","0.08","0.0877","","","","","","1.041","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215899","26.674","0.002","26.674","0.002","18.4694","0.002","90","","90","","120","","11380.5","1.7","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C10 H7 Co N5 O2 -","- C10 H7 Co N5 O2 -","- C240 H168 Co24 N120 O48 -","24","1","","Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul","Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement","CrystEngComm","2014","16","22","4677","","10.1039/c3ce42075b","","","0.71073","MoKα","","0.163","0.0992","","","0.2938","0.33","","","","","","0.884","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215900","26.113","0.002","26.113","0.002","19.6459","0.0014","90","","90","","120","","11601.6","1.5","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H5 Cl2 Co N5 O2 -","- C10 H5 Cl2 Co N5 O2 -","- C240 H120 Cl48 Co24 N120 O48 -","24","1","","Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul","Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement","CrystEngComm","2014","16","22","4677","","10.1039/c3ce42075b","","","0.71073","MoKα","","0.1765","0.0997","","","0.2862","0.334","","","","","","0.979","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215901","25.9949","0.0012","25.9949","0.0012","19.7757","0.0011","90","","90","","120","","11572.8","1","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H5 Br2 Co N5 O2 -","- C10 H5 Br2 Co N5 O2 -","- C240 H120 Br48 Co24 N120 O48 -","24","1","","Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul","Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement","CrystEngComm","2014","16","22","4677","","10.1039/c3ce42075b","","","0.71073","MoKα","","0.1975","0.0995","","","0.2545","0.3115","","","","","","0.702","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215902","16.963","0.003","13.596","0.002","12.654","0.002","90","","106.632","0.002","90","","2796.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 F15 N4 O3 -","- C27 H15 F15 N4 O3 -","- C108 H60 F60 N16 O12 -","4","1","","Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut","Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft","CrystEngComm","2014","16","22","4796","","10.1039/c3ce42440e","","","0.71073","MoKα","","0.0599","0.0359","","","0.0846","0.0973","","","","","","1.021","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215903","10.891","0.0017","17.196","0.003","14.431","0.002","90","","103.322","0.004","90","","2629.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 F12 N4 O3 -","- C27 H18 F12 N4 O3 -","- C108 H72 F48 N16 O12 -","4","1","","Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut","Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft","CrystEngComm","2014","16","22","4796","","10.1039/c3ce42440e","","","0.71073","MoKα","","0.0533","0.0391","","","0.1005","0.1123","","","","","","1.012","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215904","11.8227","0.0009","13.8754","0.001","15.4686","0.0011","86.231","0.001","76.249","0.001","86.874","0.001","2457.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cl3 F16 N5 O3 -","- C44 H52 Cl3 F16 N5 O3 -","- C88 H104 Cl6 F32 N10 O6 -","2","1","","Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut","Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft","CrystEngComm","2014","16","22","4796","","10.1039/c3ce42440e","","","0.71073","MoKα","","0.0612","0.039","","","0.0866","0.0974","","","","","","1.025","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215905","14.4149","0.0008","16.8287","0.001","22.6106","0.0012","90","","101.373","0.002","90","","5377.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cl4 F15 N5 O3 -","- C44 H52 Cl4 F15 N5 O3 -","- C176 H208 Cl16 F60 N20 O12 -","4","1","","Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut","Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft","CrystEngComm","2014","16","22","4796","","10.1039/c3ce42440e","","","0.71073","MoKα","","0.1168","0.0987","","","0.2871","0.3073","","","","","","1.009","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215906","8.053","0.0003","9.722","0.0004","16.051","0.0004","90","","96.788","0.002","90","","1247.84","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N6 O6 Pd S2 -","- C22 H16 N6 O6 Pd S2 -","- C44 H32 N12 O12 Pd2 S4 -","2","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","","","0.71073","MoKα","","0.0772","0.0397","","","0.1023","0.1269","","","","","","1.041","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215907","8.3977","0.0014","11.2186","0.0018","12.207","0.002","90","","108.288","0.005","90","","1091.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H10 N O3 Pd0.5 S2 -","- C9 H10 N O3 Pd0.5 S2 -","- C36 H40 N4 O12 Pd2 S8 -","4","1","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","","","0.71073","MoKα","","0.0606","0.0567","","","0.1692","0.1752","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215908","22.245","0.002","13.6954","0.0014","7.5899","0.0008","90","","90","","90","","2312.3","0.4","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C18 H22 N2 O8 Pd S4 -","- C18 H22 N2 O8 Pd S4 -","- C72 H88 N8 O32 Pd4 S16 -","4","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","","","0.71073","MoKα","","0.0418","0.0396","","","0.0993","0.1004","","","","","","1.065","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215909","12.03223","0.00012","14.00604","0.00015","9.78155","0.0001","90","","110.872","0.0013","90","","1540.25","0.03","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 O8 Pd S2 -","- C26 H20 N6 O8 Pd S2 -","- C52 H40 N12 O16 Pd2 S4 -","2","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","powder diffraction","","0.8269","synchrotron","","","","","","","","","3.7832","2.6442","","","","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215910","9.67234","0.0001","14.37138","0.00015","8.18547","0.0001","90","","92.7327","0.0001","90","","1136.53","0.02","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 N6 O6 Pd -","- C20 H20 N6 O6 Pd -","- C40 H40 N12 O12 Pd2 -","2","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","powder diffraction","","0.8269","synchrotron","","","","","","","","","4.3496","2.5756","","","","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215911","16.24","0.0007","13.6625","0.0005","14.8867","0.0007","90","","111.728","0.005","90","","3068.4","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H30.5 Ag2 Fe N8.5 O3 -","- C20 H20 Ag2 Fe N8 -","- C80 H80 Ag8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","1.54178","CuKα","","0.0484","0.0448","","","0.1139","0.1162","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215912","16.3171","0.0009","13.8577","0.0005","14.8466","0.0009","90","","111.744","0.006","90","","3118.2","0.3","225","2","225","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H30.5 Ag2 Fe N8.5 O3 -","- C20 H20 Ag2 Fe N8 -","- C80 H80 Ag8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","1.54178","CuKα","","0.0586","0.0528","","","0.1419","0.1476","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215913","16.622","0.002","13.9014","0.001","15.434","0.003","90","","112.586","0.017","90","","3292.8","0.9","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H30.5 Ag2 Fe N8.5 O3 -","- C20 H20 Ag2 Fe N8 -","- C80 H80 Ag8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","1.54178","CuKα","","0.0828","0.0682","","","0.1835","0.1961","","","","","","1.138","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215914","16.4515","0.0008","14.2025","0.0007","14.2637","0.0007","90","","112.084","0.001","90","","3088.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Au2 Fe N9 O2.5 -","- C20 H20 Au2 Fe N8 -","- C80 H80 Au8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","0.71073","MoKα","","0.052","0.0434","","","0.0971","0.1023","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215915","16.7493","0.0016","14.8047","0.0014","14.5137","0.0012","90","","113.493","0.003","90","","3300.6","0.5","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Au2 Fe N9 O2.5 -","- C20 H20 Au2 Fe N8 -","- C80 H80 Au8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","0.71073","MoKα","","0.0972","0.066","","","0.1731","0.1921","","","","","","1.125","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215916","11.5168","0.0011","10.1374","0.0008","9.6121","0.0009","90","","103.266","0.003","90","","1092.27","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Fe N8 Ni -","- C20 H20 Fe N8 Ni -","- C40 H40 Fe2 N16 Ni2 -","2","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","0.71073","MoKα","","0.0701","0.0396","","","0.0846","0.0989","","","","","","0.982","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215917","15.7239","0.0019","16.158","0.002","40.866","0.01","90","","90","","90","","10383","3","296","2","296","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C15 H11 Co N2 O6 S2 -","- C15 H11 Co N2 O6 S2 -","- C240 H176 Co16 N32 O96 S32 -","16","0.5","","Sanda, Suresh; Goswami, Soumyabrata; Jena, Himanshu Sekhar; Parshamoni, Srinivasulu; Konar, Sanjit","A family of three magnetic metal organic frameworks: their synthesis, structural, magnetic and vapour adsorption study","CrystEngComm","2014","16","22","4742","","10.1039/c3ce42451k","","","0.71073","MoKα","","0.0848","0.0846","","","0.2473","0.2475","","","","","","1.117","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215918","8.315","0.002","10.205","0.003","20.279","0.005","90","","113.12","0.012","90","","1582.6","0.7","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 Cu N4 O10 S4 -","- C30 H18 Cu N4 O10 S4 -","- C60 H36 Cu2 N8 O20 S8 -","2","0.5","","Sanda, Suresh; Goswami, Soumyabrata; Jena, Himanshu Sekhar; Parshamoni, Srinivasulu; Konar, Sanjit","A family of three magnetic metal organic frameworks: their synthesis, structural, magnetic and vapour adsorption study","CrystEngComm","2014","16","22","4742","","10.1039/c3ce42451k","","","0.71073","MoKα","","0.0582","0.0567","","","0.1696","0.1713","","","","","","1.009","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215919","15.8979","0.0012","15.7892","0.0012","20.3288","0.0016","90","","106.324","0.008","90","","4897.1","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H18 N4 Ni2 O25 S4 -","- C34 H18 N4 Ni2 O25 S4 -","- C136 H72 N16 Ni8 O100 S16 -","4","0.5","","Sanda, Suresh; Goswami, Soumyabrata; Jena, Himanshu Sekhar; Parshamoni, Srinivasulu; Konar, Sanjit","A family of three magnetic metal organic frameworks: their synthesis, structural, magnetic and vapour adsorption study","CrystEngComm","2014","16","22","4742","","10.1039/c3ce42451k","","","0.71073","MoKα","","0.1013","0.0931","","","0.2556","0.2606","","","","","","1.162","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215920","6.0904","0.0015","10.3943","0.0015","13.5423","0.0019","73.19","0.05","79.7","0.05","78.31","0.06","797","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Cytosine tribromoacetate","","","- C10 Br3 N6 O4 -","- C10 Br3 N6 O4 -","- C20 Br6 N12 O8 -","2","1","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.0841","0.0703","","","0.1747","0.2127","","","","","","1.189","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215921","12.8936","0.0011","6.6821","0.0005","17.1763","0.0013","90","","108.031","0.002","90","","1407.17","0.19","296","2","296","2","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C10 N3 O7.5 S -","- C10 N3 O7.5 S -","- C40 N12 O30 S4 -","4","2","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.1282","0.1174","","","0.3467","0.3622","","","","","","1.687","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215922","6.7021","0.0015","9.134","0.002","37.734","0.01","90","","90","","90","","2310","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N6 O10 S2 -","- C18 H24 N6 O10 S2 -","- C72 H96 N24 O40 S8 -","4","1","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.0672","0.0588","","","0.1465","0.1631","","","","","","1.092","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215923","6.944","0.0007","28.891","0.003","6.9559","0.0008","90","","95.357","0.004","90","","1389.4","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H34 N6 O10 S2 -","- C23 H34 N6 O10 S2 -","- C46 H68 N12 O20 S4 -","2","1","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.0452","0.0412","","","0.1043","0.1176","","","","","","1.105","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215924","8.3066","0.0004","9.3439","0.0004","11.7372","0.0005","79.248","0.002","70.499","0.002","75.926","0.002","827.41","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Pr_mal_fumarate","","","- C10 H14 O15 Pr2 -","- C10 H14 O15 Pr2 -","- C20 H28 O30 Pr4 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Rare-earth carboxylates, [Ln2(iii)(μ3-OH)(C4H4O5)2(C4H2O4)]·2H2O [Ln = Ce, Pr and Nd]: synthesis, structure and properties","CrystEngComm","2014","16","22","4774","","10.1039/c3ce42311e","","","0.71073","MoKα","","0.0315","0.0276","","","0.0763","0.0792","","","","","","1.065","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215925","8.2557","0.0005","9.3918","0.0006","11.6162","0.0008","80.241","0.006","70.487","0.006","75.339","0.005","817.73","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pr_mal_fumarate_ht","","","- C10 H9 O13 Pr2 -","- C10 H9 O13 Pr2 -","- C20 H18 O26 Pr4 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Rare-earth carboxylates, [Ln2(iii)(μ3-OH)(C4H4O5)2(C4H2O4)]·2H2O [Ln = Ce, Pr and Nd]: synthesis, structure and properties","CrystEngComm","2014","16","22","4774","","10.1039/c3ce42311e","","","0.71073","MoKα","","0.0365","0.0314","","","0.078","0.0823","","","","","","1.028","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215926","8.2494","0.0004","9.311","0.0004","11.6959","0.0006","79.306","0.004","70.324","0.004","76.048","0.004","815.58","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Nd_mal_fumarate","","","- C10 H10 Nd2 O15 -","- C10 H10 Nd2 O15 -","- C20 H20 Nd4 O30 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Rare-earth carboxylates, [Ln2(iii)(μ3-OH)(C4H4O5)2(C4H2O4)]·2H2O [Ln = Ce, Pr and Nd]: synthesis, structure and properties","CrystEngComm","2014","16","22","4774","","10.1039/c3ce42311e","","","0.71073","MoKα","","0.0278","0.0243","","","0.0578","0.06","","","","","","1.021","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215927","7.341","0.0005","7.4478","0.0004","24.44","0.003","96.237","0.007","90.714","0.007","103.836","0.005","1288.8","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","TBPO.4-nitrobenzoic acid","","","- C27 H24 N4 O9 -","- C27 H24 N4 O9 -","- C54 H48 N8 O18 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.154","0.0569","","","0.1024","0.1421","","","","","","0.972","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215928","15.3106","0.0011","11.2938","0.0007","14.6971","0.0007","90","","99.163","0.006","90","","2508.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N4 O5 -","- C29 H24 N4 O5 -","- C116 H96 N16 O20 -","4","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.71073","MoKα","","0.1305","0.0551","","","0.1218","0.1584","","","","","","0.997","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215929","6.2766","0.0009","7.8957","0.0013","17.992","0.003","100.669","0.013","93.653","0.012","95.958","0.013","868.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","TBPO.4-hydroxybenzoic acid","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.1378","0.0728","","","0.1627","0.2071","","","","","","0.995","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215930","7.3004","0.0009","10.1353","0.0013","20.884","0.002","99.943","0.009","90.989","0.009","108.782","0.012","1436.6","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","BPO.alpha-cyanocoumaric acid","","","- C33 H28 N4 O7 -","- C33 H28 N4 O7 -","- C66 H56 N8 O14 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.1791","0.1181","","","0.3032","0.3593","","","","","","1.061","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215931","6.4902","0.0017","7.288","0.002","16.056","0.003","88.34","0.02","78.438","0.019","73.56","0.03","713.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","BPO.4-hydroxybenzoic acid","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C34 H28 N4 O8 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.1789","0.0616","","","0.1182","0.1693","","","","","","0.972","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215932","13.3286","0.0004","10.7445","0.0003","12.3344","0.0004","90","","102.018","0.003","90","","1727.68","0.09","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C80 H60 N12 O16 -","4","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.037","0.0338","","","0.0851","0.0883","","","","","","1.035","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215933","6.8052","0.0004","9.9004","0.0007","12.1414","0.001","111.542","0.007","93.418","0.006","98.055","0.006","747.87","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","BPO.4-hydroxybenzoic acid.H2O","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C34 H32 N4 O10 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.0458","0.0379","","","0.0935","0.1003","","","","","","1.061","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215934","7.6894","0.0005","19.34","0.001","10.691","0.0006","90","","101.843","0.005","90","","1556.05","0.16","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BPO.p-coumaric acid","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.0841","0.0462","","","0.0945","0.1104","","","","","","1.036","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215935","22.305","0.002","12.0112","0.0012","15.3336","0.0015","90","","100.953","0.002","90","","4033.2","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","chlorodimethyl sulfonylhydrazone","chlorodimethyl sulfonylhydrazone","","- C21 H19 Cl N2 O2 S -","- C21 H19 Cl N2 O2 S -","- C168 H152 Cl8 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0663","0.0514","","","0.127","0.136","","","","","","1.039","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215936","11.726","0.005","15.488","0.007","22.317","0.01","90","","90","","90","","4053","3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","chlorodimethyl sulfonylhydrazone","chlorodimethyl sulfonylhydrazone","","- C21 H19 Cl N2 O2 S -","- C21 H19 Cl N2 O2 S -","- C168 H152 Cl8 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0631","0.0451","","","0.1141","0.1268","","","","","","1.05","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215937","11.939","0.002","15.261","0.003","21.322","0.004","90","","90","","90","","3884.9","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","fluorodimethyl sulfonylhydrazone","fluorodimethyl sulfonylhydrazone","","- C21 H19 F N2 O2 S -","- C21 H19 F N2 O2 S -","- C168 H152 F8 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.055","0.0428","","","0.1138","0.1233","","","","","","1.048","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215938","11.6335","0.0016","11.6089","0.0016","15.843","0.002","90","","96.67","0.002","90","","2125.1","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","methyldiiodo sulfonylhydrazone","methyldiiodo sulfonylhydrazone","","- C20 H16 I2 N2 O2 S -","- C20 H16 I2 N2 O2 S -","- C80 H64 I8 N8 O8 S4 -","4","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0447","0.039","","","0.1003","0.1047","","","","","","1.064","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215939","23.334","0.008","11.594","0.004","15.6","0.005","90","","103.035","0.005","90","","4112","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tribromo sulfonylhydrazone","tribromo sulfonylhydrazone","","- C19 H13 Br3 N2 O2 S -","- C19 H13 Br3 N2 O2 S -","- C152 H104 Br24 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0793","0.0399","","","0.0836","0.1011","","","","","","1.003","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215940","22.655","0.004","11.6004","0.0018","15.428","0.003","90","","101.926","0.003","90","","3967.1","1.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","trichloro sulfonylhydrazone","trichloro sulfonylhydrazone","","- C19 H13 Cl3 N2 O2 S -","- C19 H13 Cl3 N2 O2 S -","- C152 H104 Cl24 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.092","0.0516","","","0.1124","0.1297","","","","","","1.016","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215941","9.236","0.002","8.784","0.002","29.629","0.007","90","","96.361","0.008","90","","2389","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Cl6 Cu2 I2 N4 O8 -","- C36 H24 Cu2 I2 N4 O8 -","- C72 H48 Cu4 I4 N8 O16 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.1812","0.1241","","","0.2452","0.2529","","","","","","2.005","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215942","9.608","0.002","8.3895","0.0018","30.122","0.006","90","","97.841","0.006","90","","2405.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 Cu2 I2 N6 O12 -","- C48 H34 Cu2 I2 N6 O12 -","- C96 H68 Cu4 I4 N12 O24 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.103","0.0985","","","0.2364","0.2384","","","","","","1.065","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215943","9.47","0.003","8.587","0.003","30.417","0.009","90","","100.186","0.012","90","","2434.5","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H34 Cu2 I2 N6 O8 -","- C50 H34 Cu2 I2 N6 O8 -","- C100 H68 Cu4 I4 N12 O16 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.1764","0.1335","","","0.2975","0.3166","","","","","","1.011","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215944","9.6255","0.0019","8.448","0.0017","29.784","0.006","90","","94.921","0.007","90","","2413","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 Br2 Cu2 I2 N4 O8 -","- C48 H34 Br2 Cu2 I2 N4 O8 -","- C96 H68 Br4 Cu4 I4 N8 O16 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.1002","0.0672","","","0.2009","0.2177","","","","","","1.397","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215945","17.615","0.003","15.56","0.002","19.211","0.003","90","","115.087","0.004","90","","4768.8","1.3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C37 H29 Cl3 Cu F12 N4 O10 P2 -","- C37 H24 Cl3 Cu F12 N4 O10 P2 -","- C148 H96 Cl12 Cu4 F48 N16 O40 P8 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.1104","0.0806","","","0.2175","0.2448","","","","","","0.977","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215946","16.835","0.008","9.707","0.005","39.767","0.019","90","","90.522","0.01","90","","6498","6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C108 H106 Cl6 Cu3 N12 O65 -","- C108 H72 Cu3 N12 O27 -","- C216 H144 Cu6 N24 O54 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.126","0.0956","","","0.2194","0.234","","","","","","1.183","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215947","11.0728","0.0004","8.7248","0.0004","14.6199","0.0007","90","","109.072","0.002","90","","1334.87","0.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Theophylline, Resorcinol cocrystal monohydrate","","- C13 H16 N4 O5 -","- C13 H16 N4 O5 -","- C52 H64 N16 O20 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.0628","0.0291","","","0.0849","0.1215","","","","","","1.252","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215948","6.7236","0.0003","23.2123","0.0009","9.2933","0.0003","90","","98.822","0.002","90","","1433.25","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Theophylline, phluroglucinol cocrystal monohydrate","","- C13 H16 N4 O6 -","- C13 H16 N4 O6 -","- C52 H64 N16 O24 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.1262","0.0617","","","0.1474","0.1872","","","","","","0.967","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215949","9.8095","0.0015","13.369","0.002","23.858","0.004","90","","90","","90","","3128.8","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Theophylline Orcinol cocrystal dihydrate","","- C14 H20 N4 O6 -","- C14 H20 N4 O6 -","- C112 H160 N32 O48 -","8","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.0491","0.0381","","","0.1076","0.133","","","","","","1.152","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215950","14.8098","0.0005","6.6905","0.0002","15.8509","0.0006","90","","94.469","0.002","90","","1565.81","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Theophylline, 2,6-Dihydroxybenzoic acid salt hydrate","","- C14 H16 N4 O7 -","- C14 H16 N4 O7 -","- C56 H64 N16 O28 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.1017","0.0575","","","0.167","0.2069","","","","","","1.046","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215951","7.3213","0.0002","8.0238","0.0002","12.6902","0.0002","81.646","0.001","85.601","0.001","82.156","0.001","729.44","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Theophylline, 3,5-Dihydroxybenzoic acid cocrystal","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.0688","0.0486","","","0.1381","0.1646","","","","","","1.073","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215952","8.094","0.0005","8.5956","0.0005","11.5891","0.0005","103.168","0.003","105.023","0.005","105.32","0.004","712.05","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Theophylline 3,4-Dihydroxybenzoic acid cocrystal","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.14","0.0753","","","0.2037","0.2776","","","","","","1.082","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215953","7.2792","0.0007","8.7135","0.0009","24.272","0.002","90","","96.128","0.004","90","","1530.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Theophylline Cinnamic acid cocrystal","","- C16 H16 N4 O4 -","- C16 H16 N4 O4 -","- C64 H64 N16 O16 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.1228","0.0777","","","0.2043","0.2414","","","","","","0.996","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215954","8.5707","0.0011","9.8985","0.0012","14.2812","0.0017","104.986","0.005","102.291","0.005","91.286","0.005","1139.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N4 O9 Zn2 -","- C16 H16 N4 O9 Zn2 -","- C32 H32 N8 O18 Zn4 -","2","1","","Bhattacharya, Biswajit; Saha, Debraj; Maity, Dilip Kumar; Dey, Rajdip; Ghoshal, Debajyoti","Syntheses, X-ray structures, gas adsorption and luminescent properties of three coordination polymers of Zn(ii) dicarboxylates mixed with a linear, neutral, and rigid N,N′-donor ligand","CrystEngComm","2014","16","22","4783","","10.1039/c3ce42441c","","","0.71073","MoKα","","0.0571","0.0484","","","0.1722","0.1803","","","","","","1.116","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215955","5.2333","0.0001","9.158","0.0003","14.8415","0.0004","84.191","0.001","85.964","0.002","79.848","0.001","695.57","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N2 O6 Zn -","- C10 H12 N2 O6 Zn -","- C20 H24 N4 O12 Zn2 -","2","1","","Bhattacharya, Biswajit; Saha, Debraj; Maity, Dilip Kumar; Dey, Rajdip; Ghoshal, Debajyoti","Syntheses, X-ray structures, gas adsorption and luminescent properties of three coordination polymers of Zn(ii) dicarboxylates mixed with a linear, neutral, and rigid N,N′-donor ligand","CrystEngComm","2014","16","22","4783","","10.1039/c3ce42441c","","","0.71073","MoKα","","0.0435","0.0415","","","0.1361","0.1373","","","","","","1.22","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215956","10.9188","0.0004","11.5059","0.0004","13.0695","0.0004","109.415","0.002","95.197","0.002","97.024","0.002","1521.76","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N8 O9 Zn2 -","- C28 H18 N8 O9 Zn2 -","- C56 H36 N16 O18 Zn4 -","2","1","","Bhattacharya, Biswajit; Saha, Debraj; Maity, Dilip Kumar; Dey, Rajdip; Ghoshal, Debajyoti","Syntheses, X-ray structures, gas adsorption and luminescent properties of three coordination polymers of Zn(ii) dicarboxylates mixed with a linear, neutral, and rigid N,N′-donor ligand","CrystEngComm","2014","16","22","4783","","10.1039/c3ce42441c","","","0.71073","MoKα","","0.0535","0.0433","","","0.1143","0.1209","","","","","","1.046","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215957","7.7589","0.001","9.2634","0.0012","17.83","0.002","90.403","0.008","90.275","0.009","97.322","0.009","1271","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Felodipine : 4,4'-bipyridine (1:1)","","- C28 H27 Cl2 N3 O4 -","- C28 H27 Cl2 N3 O4 -","- C56 H54 Cl4 N6 O8 -","2","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Polymorphism of felodipine co-crystals with 4,4′-bipyridine","CrystEngComm","2014","16","29","6603","","10.1039/c4ce00756e","","","0.71073","MoKα","","0.1542","0.0957","","","0.2379","0.2641","","","","","","1.131","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215958","10.4207","0.0009","10.6061","0.0009","11.2328","0.0009","67.167","0.004","73.749","0.004","81.109","0.005","1097","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Felodipine : 4,4'-bipyridine (2:1)","","","- C46 H46 Cl4 N4 O8 -","- C46 H46 Cl4 N4 O8 -","- C46 H46 Cl4 N4 O8 -","1","0.5","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Polymorphism of felodipine co-crystals with 4,4′-bipyridine","CrystEngComm","2014","16","29","6603","","10.1039/c4ce00756e","","","0.71073","MoKα","","0.1065","0.0719","","","0.1928","0.2191","","","","","","1.059","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215959","36.197","0.003","36.436","0.003","8.0228","0.0006","90","","90","","90","","10581.1","1.5","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Felodipine : 4,4'-bipyridine (1:1)","","- C28 H27 Cl2 N3 O4 -","- C28 H27 Cl2 N3 O4 -","- C448 H432 Cl32 N48 O64 -","16","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Polymorphism of felodipine co-crystals with 4,4′-bipyridine","CrystEngComm","2014","16","29","6603","","10.1039/c4ce00756e","","","0.71073","MoKα","","0.067","0.046","","","0.0992","0.1077","","","","","","1.049","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215960","8.863","0.001","23.742","0.002","8.907","0.001","90","","116.86","0.01","90","","1672.1","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H48 Cl2 Mg N4 O8 -","- C22 H48 Cl2 Mg N4 O8 -","- C44 H96 Cl4 Mg2 N8 O16 -","2","1","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","","1.54178","CuKα","","0.0695","0.0528","","","0.1382","0.1503","","","","","","1.052","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215961","5.9825","0.0011","9.0582","0.0017","34.096","0.006","90","","90","","90","","1847.7","0.6","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 Ca Cl2 N2 O4 -","- C11 H24 Ca Cl2 N2 O4 -","- C44 H96 Ca4 Cl8 N8 O16 -","4","1","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","x-ray","0.71073","MoKα","","0.0443","0.0377","","","0.0861","0.0886","","","","","","1.092","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215962","8.85","0.002","8.85","0.002","34.827","0.005","90","","90","","120","","2362.3","0.8","293","2","293","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C20 H36 Cl2 F4 Mg N4 O8 -","- C20 H36 Cl2 F4 Mg N4 O8 -","- C60 H108 Cl6 F12 Mg3 N12 O24 -","3","0.5","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","","1.54178","CuKα","","0.0827","0.0498","","","0.1276","0.147","","","","","","1.046","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215963","5.9482","0.0008","9.0116","0.0008","17.114","0.002","90","","99.35","0.012","90","","905.17","0.18","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","co-crystals","","","- C10 H18 Ca Cl2 F2 N2 O4 -","- C10 H18 Ca Cl2 F2 N2 O4 -","- C20 H36 Ca2 Cl4 F4 N4 O8 -","2","1","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","","0.71073","MoKα","","0.1012","0.0795","","","0.1603","0.1704","","","","","","1.124","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215964","11.0697","0.0006","22.2083","0.0011","19.5333","0.0011","90","","90","","90","","4802.1","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C41 H45 N11 O13 Zn2 -","- C41 H45 N11 O13 Zn2 -","- C164 H180 N44 O52 Zn8 -","4","1","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.0956","0.0661","","","0.1738","0.1906","","","","","","1.063","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215965","22.219","0.0013","5.5243","0.0003","18.4719","0.001","90","","115.962","0.002","90","","2038.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 O8 Zn -","- C18 H22 N2 O8 Zn -","- C72 H88 N8 O32 Zn4 -","4","0.5","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.0231","0.0225","","","0.0576","0.0581","","","","","","1.07","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215966","16","0.005","5.452","0.005","22.025","0.005","90","0.005","107.704","0.005","90","0.005","1830.3","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N4 O4 Zn -","- C20 H18 N4 O4 Zn -","- C80 H72 N16 O16 Zn4 -","4","0.5","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.023","0.0227","","","0.06","0.0602","","","","","","1.089","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215967","10.7575","0.0004","15.318","0.0006","29.3906","0.0013","81.112","0.001","87.711","0.001","84.536","0.001","4761.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H86 N20 O18 Zn4 -","- C94 H86 N20 O18 Zn4 -","- C188 H172 N40 O36 Zn8 -","2","1","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.1001","0.0525","","","0.1147","0.1337","","","","","","1.064","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215968","8.5561","0.0017","8.656","0.0018","24.424","0.005","93.654","0.003","95.997","0.003","91.067","0.004","1794.7","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C74 H88 Cd2 N12 O10 -","- C74 H84 Cd2 N12 O10 -","- C74 H84 Cd2 N12 O10 -","1","1","","Ahmad, Musheer; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","A novel 3D 10-fold interpenetrated homochiral coordination polymer: large spontaneous polarization, dielectric loss and emission studies","CrystEngComm","2014","16","22","4766","","10.1039/c3ce42628a","","","0.71073","MoKα","","0.0762","0.0614","","","0.1382","0.1495","","","","","","1.024","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215969","15.0954","0.0006","11.5689","0.0004","10.6232","0.0004","90","","110.192","0.004","90","","1741.19","0.12","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Co2 N2 O8 P2 -","- C12 H26 Co2 N2 O8 P2 -","- C48 H104 Co8 N8 O32 P8 -","4","1","","Patzschke, Christin; Forsyth, Craig M.; Batten, Stuart R.; Chaffee, Alan L.","Formation of a non-porous cobalt-phosphonate framework by small pH change in the preparation of the microporous STA-16(Co)","CrystEngComm","2014","16","28","6296","","10.1039/c4ce00509k","","","0.71073","MoKα","","0.0405","0.0356","","","0.0853","0.0892","","","","","","1.037","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215970","12.9496","0.0016","12.9821","0.0016","20.789","0.003","84.935","0.002","82.643","0.002","77.463","0.001","3376.9","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H178 Co N4 O38 S12 -","- C116 H178 Co N4 O38 S12 -","- C116 H178 Co N4 O38 S12 -","1","0.5","","Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Encapsulation of manganese and cobalt complexes within resorcin[4]arene dimers","CrystEngComm","2014","16","31","7172","","10.1039/C4CE00556B","","","0.71073","MoKα","","0.1398","0.0982","","","0.2317","0.2735","","","","","","1.044","","","","has coordinates,has disorder","180490","2020-10-21","18:00:00",""
"7215971","12.3562","0.0003","12.5049","0.0003","19.3386","0.0004","89.472","0.001","80.7","0.001","79.3","0.001","2896.85","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H156 Co N2 O32 S10 -","- C100 H156 Co N2 O32 S10 -","- C100 H156 Co N2 O32 S10 -","1","0.5","","Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Encapsulation of manganese and cobalt complexes within resorcin[4]arene dimers","CrystEngComm","2014","16","31","7172","","10.1039/C4CE00556B","","","1.54178","CuKα","","0.0626","0.0584","","","0.1619","0.1659","","","","","","1.078","","","","has coordinates,has disorder","180490","2020-10-21","18:00:00",""
"7215972","12.3466","0.0017","12.604","0.0017","18.908","0.003","89.008","0.002","81.577","0.002","78.725","0.002","2854.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H156 Mn N2 O32 S10 -","- C100 H156 Mn N2 O32 S10 -","- C100 H156 Mn N2 O32 S10 -","1","0.5","","Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Encapsulation of manganese and cobalt complexes within resorcin[4]arene dimers","CrystEngComm","2014","16","31","7172","","10.1039/C4CE00556B","","","0.71073","MoKα","","0.1416","0.0674","","","0.1544","0.1929","","","","","","0.98","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215973","8.8478","0.0004","13.3523","0.0006","14.1584","0.0006","67.987","0.001","77.114","0.001","74.612","0.001","1480.77","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Succinylsulfathiazole plymorph I","","","- C13 H13 N3 O5 S2 -","- C13 H13 N3 O5 S2 -","- C52 H52 N12 O20 S8 -","4","2","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0399","0.0344","","","0.1132","0.1223","","","","","","0.873","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215974","11.351","0.003","8.577","0.002","16.684","0.003","90","","107.483","0.005","90","","1549.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Succinylsulfathiazole plymorph II","","","- C13 H13 N3 O5 S2 -","- C13 H13 N3 O5 S2 -","- C52 H52 N12 O20 S8 -","4","1","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0798","0.0428","","","0.117","0.1495","","","","","","0.895","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215975","16.19","0.006","5.146","0.0014","19.449","0.007","90","","94.028","0.017","90","","1616.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Succinylsulfathiazole mono hydrate","","","- C13 H15 N3 O6 S2 -","- C13 H15 N3 O6 S2 -","- C52 H60 N12 O24 S8 -","4","1","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0503","0.0391","","","0.1016","0.1123","","","","","","1.018","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215976","8.5229","0.0004","14.5887","0.0007","15.2327","0.0007","64.777","0.001","78.161","0.001","82.086","0.001","1674.27","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Succinylsulfathiazole acetone solvate","","","- C29 H32 N6 O11 S4 -","- C29 H32 N6 O11 S4 -","- C58 H64 N12 O22 S8 -","2","1","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0781","0.0718","","","0.1465","0.151","","","","","","1.044","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215977","8.7032","0.0002","14.5604","0.0005","15.5676","0.0005","64.602","0.002","77.24","0.002","83.635","0.002","1737.79","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Succinylsulfathiazole tetrahydrofuran solvate","","","- C30 H34 N6 O11 S4 -","- C30 H34 N6 O11 S4 -","- C60 H68 N12 O22 S8 -","2","1","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0753","0.044","","","0.125","0.1522","","","","","","0.882","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215978","19.7256","0.0011","7.8544","0.0004","6.5083","0.0004","90","","90","","90","","1008.35","0.1","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C2 H9 Ag Cu2 N2 S4 Sn -","- C Ag Cu2 N S4 Sn -","- C4 Ag4 Cu8 N4 S16 Sn4 -","4","0.5","","Xiong, weiwei; Miao, Jianwei; Li, Pei-Zhou; Zhao, Yanli; Liu, Bin; Zhang, qichun","[enH][Cu2AgSnS4]: A Quaternary Layered Sulfide Based on Cu-Ag-Sn-S Composition","CrystEngComm","2014","","","","","10.1039/c4ce00740a","","","0.71073","MoKα","","0.0437","0.0369","","","0.1164","0.1231","","","","","","1.046","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215979","31.788","0.002","18.353","0.002","34.619","0.004","90","","107.82","","90","","19228","3","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","Compound 1a","","","- C179 H165 Cl6 N33 O22 -","- C179 H141 Cl6 N33 O22 -","- C716 H564 Cl24 N132 O88 -","4","1","","Chaudhari, Abhijeet K.; Sharma, Amitosh; Mukherjee, Soumya; Joarder, Biplab; Ghosh, Sujit K.","Capsule voided nanospace confinement in a π-stacked supramolecular organic solid","CrystEngComm","2014","16","22","4691","","10.1039/c3ce42509f","","","0.71073","MoKα","","0.2711","0.1279","","","0.3014","0.3864","","","","","","0.998","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215980","15.93","0.006","13.588","0.005","6.663","0.002","90","","97.392","0.005","90","","1430.3","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N O11 Pr -","- C9 H15 N O11 Pr -","- C36 H60 N4 O44 Pr4 -","4","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.064","0.0504","","","0.1322","0.1435","","","","","","1.062","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215981","15.9131","0.0014","13.5396","0.0011","6.6475","0.0006","90","","97.662","0.001","90","","1419.5","0.2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 Eu N O11 -","- C9 H15 Eu N O11 -","- C36 H60 Eu4 N4 O44 -","4","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0387","0.031","","","0.0764","0.0812","","","","","","1.021","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215982","15.8734","0.0012","13.4525","0.001","6.6309","0.0005","90","","97.862","0.001","90","","1402.63","0.18","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N O11 Tb -","- C9 H15 N O11 Tb -","- C36 H60 N4 O44 Tb4 -","4","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0239","0.0227","","","0.0618","0.0626","","","","","","1.052","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215983","15.8585","0.0014","13.419","0.0011","6.6158","0.0006","90","","97.925","0.001","90","","1394.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 Er N O11 -","- C9 H15 Er N O11 -","- C36 H60 Er4 N4 O44 -","4","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0462","0.0374","","","0.1002","0.1085","","","","","","1.0237","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215984","5.3448","0.0006","8.9517","0.001","15.6623","0.0018","104.912","0.001","93.036","0.001","97.157","0.001","715.65","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N O10 Yb -","- C9 H13 N O10 Yb -","- C18 H26 N2 O20 Yb2 -","2","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0261","0.0245","","","0.0607","0.0616","","","","","","1.068","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215985","5.34","0.0008","8.953","0.0014","15.655","0.002","104.76","0.002","93.015","0.002","97.273","0.002","715.11","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Lu N O10 -","- C9 H13 Lu N O10 -","- C18 H26 Lu2 N2 O20 -","2","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0284","0.0271","","","0.0775","0.0783","","","","","","1.056","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215986","8.1481","0.0003","10.7263","0.0003","13.4085","0.0004","86.933","0.002","84.68","0.003","81.508","0.003","1153.1","0.06","120","","120","","","","","","","","see text","4","P -1","-P 1","2","","","","- C27 H30 N2 O2 -","- C27 H30 N2 O2 -","- C54 H60 N4 O4 -","2","1","","Ahipa, T. N.; Kumar, Vijith; Shankar Rao, D. S.; Prasad, Subbarao Krishna; Adhikari, Airody Vasudeva","New 4-(2-(4-alkoxyphenyl)-6-methoxypyridin-4-yl)benzonitriles: synthesis, liquid crystalline behavior and photo physical properties","CrystEngComm","2014","16","25","5573","","10.1039/c4ce00128a","","x-ray","0.71073","MoKα","","0.0523","0.0416","","","0.1026","0.1094","","","","","","1.059","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215987","8.978","0.003","10.677","0.003","10.877","0.003","99.677","0.009","95.437","0.009","103.089","0.008","991.5","0.5","296","2","296","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C46 H44 N4 O4 -","2","1","","Ahipa, T. N.; Kumar, Vijith; Shankar Rao, D. S.; Prasad, Subbarao Krishna; Adhikari, Airody Vasudeva","New 4-(2-(4-alkoxyphenyl)-6-methoxypyridin-4-yl)benzonitriles: synthesis, liquid crystalline behavior and photo physical properties","CrystEngComm","2014","16","25","5573","","10.1039/c4ce00128a","","x-ray","0.71073","MoKα","","0.1079","0.0537","","","0.1352","0.159","","","","","","0.994","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215988","7.4241","0.0006","7.4241","0.0006","8.7784","0.0008","90","","90","","120","","419.02","0.06","295","2","295","2","","","290000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0323","0.0319","","","0.0753","0.0757","","","","","","1.171","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215989","7.4121","0.0004","7.4121","0.0004","8.65","0.005","90","","90","","120","","411.6","0.2","295","2","295","2","","","490000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0256","0.0235","","","0.0621","0.0635","","","","","","1.252","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215990","7.4031","0.0004","7.4031","0.0004","8.5486","0.0005","90","","90","","120","","405.74","0.04","295","2","295","2","","","670000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0273","0.0269","","","0.0706","0.0707","","","","","","1.205","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215991","7.4011","0.0005","7.4011","0.0005","8.3856","0.0016","90","","90","","120","","397.79","0.08","295","2","295","2","","","780000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0216","0.0209","","","0.0516","0.0522","","","","","","1.175","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215992","7.3983","0.001","7.3983","0.001","8.346","0.002","90","","90","","120","","395.62","0.12","295","2","295","2","","","780000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0373","0.0362","","","0.0923","0.0949","","","","","","1.087","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215993","7.3952","0.001","7.3952","0.001","8.2763","0.0013","90","","90","","120","","391.98","0.1","295","2","295","2","","","1030000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0454","0.0397","","","0.0815","0.0842","","","","","","1.197","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215994","7.3751","0.0006","7.3751","0.0006","8.127","0.0007","90","","90","","120","","382.82","0.06","295","2","295","2","","","1380000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0571","0.0563","","","0.1317","0.1323","","","","","","1.312","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215995","7.3558","0.0004","7.3558","0.0004","7.989","0.002","90","","90","","120","","374.35","0.1","295","2","295","2","","","1870000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0309","0.0307","","","0.0837","0.0841","","","","","","1.214","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215996","7.5595","0.0006","7.5595","0.0006","8.7694","0.001","90","","90","","120","","434","0.07","295","2","295","2","","","380000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium perchlorate","guanidinium perchlorate","","- C H6 Cl N3 O4 -","- C H6 Cl N3 O4 -","- C3 H18 Cl3 N9 O12 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0625","0.0562","","","0.1191","0.1295","","","","","","1.29","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215997","7.5534","0.0004","7.5534","0.0004","8.6935","0.0017","90","","90","","120","","429.55","0.09","295","2","295","2","","","570000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium perchlorate","guanidinium perchlorate","","- C H6 Cl N3 O4 -","- C H6 Cl N3 O4 -","- C3 H18 Cl3 N9 O12 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0302","0.0299","","","0.0794","0.0796","","","","","","1.308","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215998","7.531","0.0004","7.531","0.0004","8.4767","0.0018","90","","90","","120","","416.35","0.09","295","2","295","2","","","1030000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium perchlorate","guanidinium perchlorate","","- C H6 Cl N3 O4 -","- C H6 Cl N3 O4 -","- C3 H18 Cl3 N9 O12 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0291","0.0292","","","0.0795","0.0794","","","","","","1.32","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215999","7.5123","0.0004","7.5123","0.0004","8.3522","0.0007","90","","90","","120","","408.2","0.05","295","2","295","2","","","1350000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium perchlorate","guanidinium perchlorate","","- C H6 Cl N3 O4 -","- C H6 Cl N3 O4 -","- C3 H18 Cl3 N9 O12 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.057","0.0563","","","0.1513","0.1526","","","","","","1.231","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7216000","7.4965","0.0003","7.4965","0.0003","8.2508","0.0006","90","","90","","120","","401.55","0.04","295","2","295","2","","","1730000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium perchlorate","guanidinium perchlorate","","- C H6 Cl N3 O4 -","- C H6 Cl N3 O4 -","- C3 H18 Cl3 N9 O12 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0461","0.0457","","","0.1161","0.1164","","","","","","1.256","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216001","9.4258","0.0019","10.052","0.002","15.309","0.003","97.47","0.03","105.32","0.03","103.94","0.03","1328.4","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O4 Zn -","- C32 H28 N2 O4 Zn -","- C64 H56 N4 O8 Zn2 -","2","1","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.0438","0.0395","","","0.1114","0.1154","","","","","","1.069","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216002","9.907","0.002","10.421","0.002","16.142","0.003","81.18","0.03","75.18","0.03","81.78","0.03","1582.6","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H57 Cl2 N5 O8 Zn2 -","- C66 H57 Cl2 N5 O8 Zn2 -","- C66 H57 Cl2 N5 O8 Zn2 -","1","0.5","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.067","0.0513","","","0.1301","0.141","","","","","","1.037","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216003","10.791","0.002","17.717","0.003","9.7094","0.0019","90","","92.49","0.03","90","","1854.5","0.6","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N2 O6 Zn -","- C20 H15 N2 O6 Zn -","- C80 H60 N8 O24 Zn4 -","4","1","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.0646","0.057","","","0.1657","0.1741","","","","","","1.077","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216004","16.096","0.003","7.6958","0.0015","16.148","0.003","90","","99.06","0.03","90","","1975.3","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N2 O6 Zn -","- C20 H21 N2 O6 Zn -","- C80 H84 N8 O24 Zn4 -","4","1","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.0915","0.0791","","","0.227","0.2498","","","","","","1.038","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216005","18.621","0.004","9.7191","0.0019","17.267","0.004","90","","98.76","0.03","90","","3088.5","1.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 N2 O7 Zn2 -","- C33 H28 N2 O7 Zn2 -","- C132 H112 N8 O28 Zn8 -","4","1","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.1085","0.0792","","","0.21","0.2447","","","","","","0.991","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216006","22.625","0.002","14.9276","0.0013","30.645","0.002","90","","128.963","0.004","90","","8047.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Co N4 O10 -","- C40 H38 Co N4 O10 -","- C320 H304 Co8 N32 O80 -","8","2","","Zhang, Chuanlei; Hao, Han; Shi, Zhenzhen; Zheng, Hegen","Four new metal‒organic frameworks based on a rigid linear ligand: synthesis, optical properties and structural investigation","CrystEngComm","2014","","","","","10.1039/c4ce00224e","","","0.71073","MoKα","","0.1328","0.0644","","","0.1449","0.1639","","","","","","1.011","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216007","9.474","0.0008","11.2487","0.001","16.5633","0.0015","84.093","0.001","89.422","0.001","83.414","0.002","1744.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cd N4 O6 -","- C34 H26 Cd N4 O6 -","- C68 H52 Cd2 N8 O12 -","2","1","","Zhang, Chuanlei; Hao, Han; Shi, Zhenzhen; Zheng, Hegen","Four new metal‒organic frameworks based on a rigid linear ligand: synthesis, optical properties and structural investigation","CrystEngComm","2014","","","","","10.1039/c4ce00224e","","","0.71073","MoKα","","0.0873","0.0823","","","0.2205","0.2259","","","","","","1.061","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216008","7.2985","0.0004","16.4843","0.001","34.438","0.002","90","0.001","90","0.002","90","0.002","4143.3","0.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C45 H41 N5 Ni O8 -","- C45 H41 N5 Ni O8 -","- C180 H164 N20 Ni4 O32 -","4","0.5","","Zhang, Chuanlei; Hao, Han; Shi, Zhenzhen; Zheng, Hegen","Four new metal‒organic frameworks based on a rigid linear ligand: synthesis, optical properties and structural investigation","CrystEngComm","2014","","","","","10.1039/c4ce00224e","","","0.71073","MoKα","","0.0791","0.0548","","","0.1198","0.1372","","","","","","1.045","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216009","10.8266","0.0007","12.4225","0.0007","16.902","0.001","107.581","0.001","91.947","0.001","99.378","0.001","2129.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H48 N6 Ni O10 -","- C46 H48 N6 Ni O10 -","- C92 H96 N12 Ni2 O20 -","2","1","","Zhang, Chuanlei; Hao, Han; Shi, Zhenzhen; Zheng, Hegen","Four new metal‒organic frameworks based on a rigid linear ligand: synthesis, optical properties and structural investigation","CrystEngComm","2014","","","","","10.1039/c4ce00224e","","","0.71073","MoKα","","0.0531","0.0438","","","0.1212","0.1375","","","","","","1.052","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216010","7.874","0.0013","8.367","0.0014","13.195","0.002","91.615","0.014","103.438","0.013","90.08","0.014","845.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 Cl2 N O -","- C23 H13 Cl2 N O -","- C46 H26 Cl4 N2 O2 -","2","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Photoreversible solid state negative photochromism of N-(3,5-dichlorosalicylidene)-1-aminopyrene","CrystEngComm","2014","","","","","10.1039/c4ce00589a","","","0.71073","MoKα","","0.0613","0.0476","","","0.1187","0.1249","","","","","","1.048","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216039","12.6883","0.0011","37.728","0.003","29.351","0.003","90","","90.03","0.001","90","","14050","2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152 H114 N42 Ni4 O8 -","- C152 H114 N42 Ni4 O8 -","- C608 H456 N168 Ni16 O32 -","4","1","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Guest dependent dielectric properties of nickel(ii)-based supramolecular networks","CrystEngComm","2014","16","28","6309","","10.1039/c4ce00218k","","","0.71073","MoKα","","0.1339","0.0752","","","0.1759","0.2003","","","","","","1.037","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216040","12.2568","0.0002","15.712","0.0003","20.7876","0.0004","90","","90","","90","","4003.25","0.13","200","2","200","2","","","","","","","","6","P n a b","-P 2bc 2n","60","","","","- C42 H34 Cl2 N12 Ni O2 -","- C42 H34 Cl2 N12 Ni O2 -","- C168 H136 Cl8 N48 Ni4 O8 -","4","0.5","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Guest dependent dielectric properties of nickel(ii)-based supramolecular networks","CrystEngComm","2014","16","28","6309","","10.1039/c4ce00218k","","","0.71073","MoKα","","0.0548","0.0422","","","0.1205","0.1306","","","","","","1.134","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216041","18.825","0.004","8.3912","0.0016","9.2901","0.0018","90","","94.064","0.003","90","","1463.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H18 Mn O10 P2 -","- C8 H14 Mn O10 P2 -","- C32 H56 Mn4 O40 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0385","0.0355","","","0.0941","0.0963","","","","","","1.093","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216042","6.8159","0.0018","9.734","0.003","13.799","0.004","96.523","0.004","95.78","0.004","91.06","0.004","904.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H26 Co O14 P2 -","- C8 H26 Co O14 P2 -","- C16 H52 Co2 O28 P4 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0592","0.0456","","","0.1124","0.1208","","","","","","1.041","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216043","12.363","0.002","7.8134","0.0013","15.311","0.003","90","","93.942","0.004","90","","1475.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 Co O20 P4 -","- C16 H34 Co O20 P4 -","- C32 H68 Co2 O40 P8 -","2","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.1145","0.0592","","","0.1266","0.1552","","","","","","1.014","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216044","6.7912","0.0011","9.6878","0.0016","13.786","0.002","96.736","0.002","95.816","0.005","91.082","0.005","895.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H26 Ni O14 P2 -","- C8 H26 Ni O14 P2 -","- C16 H52 Ni2 O28 P4 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0681","0.0444","","","0.0941","0.1016","","","","","","0.922","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216045","5.1671","0.001","6.3007","0.0012","10.029","0.003","75.102","0.005","84.496","0.01","76.61","0.003","306.72","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 Cu O8 P2 -","- C8 H14 Cu O8 P2 -","- C8 H14 Cu O8 P2 -","1","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0471","0.0379","","","0.0937","0.0998","","","","","","1.072","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216046","12.3549","0.0013","7.8244","0.0008","15.3271","0.0016","90","","93.924","0.002","90","","1478.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 O20 P4 Zn -","- C16 H34 O20 P4 Zn -","- C32 H68 O40 P8 Zn2 -","2","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0783","0.0454","","","0.1014","0.1153","","","","","","1.013","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216047","19.781","0.004","6.7881","0.0015","9.4449","0.0019","90","","90.463","0.003","90","","1268.2","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 Cd O8 P2 -","- C8 H14 Cd O8 P2 -","- C32 H56 Cd4 O32 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0365","0.0331","","","0.0824","0.0849","","","","","","1.075","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216048","7.6143","0.0012","22.461","0.004","7.7097","0.0012","90","","90","","90","","1318.5","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 O8 P2 Zn -","- C8 H14 O8 P2 Zn -","- C32 H56 O32 P8 Zn4 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0367","0.0322","","","0.0925","0.0953","","","","","","1.089","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216049","5.7837","0.0003","6.0328","0.0003","12.3406","0.0006","90","","90","","90","","430.59","0.04","293.1","","293.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa","Single crystal structure analysis via magnetically oriented microcrystal arrays","CrystEngComm","2014","16","29","6630","","10.1039/c4ce00839a","","","1.54187","CuKα","","","0.0662","","","","0.1718","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216050","5.0868","0.0003","13.0628","0.0008","10.9758","0.0007","90","","90.99","0.007","90","","729.21","0.08","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","","Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa","Single crystal structure analysis via magnetically oriented microcrystal arrays","CrystEngComm","2014","16","29","6630","","10.1039/c4ce00839a","","","1.54187","CuKα","","","0.1062","","","","0.3323","","","","","","1.143","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216051","7.5958","0.0002","19.748","0.0014","11.251","0.0003","90","","90","","90","","1687.67","0.14","296","","296","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa","Single crystal structure analysis via magnetically oriented microcrystal arrays","CrystEngComm","2014","16","29","6630","","10.1039/c4ce00839a","","","1.54187","CuKα","","","0.0993","","","","0.3082","","","","","","1.031","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216052","6.7745","0.0011","6.8452","0.0016","21.531","0.004","88.152","0.016","82.974","0.012","60.518","0.009","862.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B11 Ba2 H7 O22 -","- B11 Ba2 H7 O22 -","- B22 Ba4 H14 O44 -","2","1","","Deng, Ting-Ting; Gao, Yan-E; Zhang, Li-Xia; Gu, Xiang-Yu; Tian, Han-Rui; Liu, Yi; Feng, Yun-Long; Cheng, Jian-Wen","Incorporating [GaB4O11(OH)]8− clusters to construct luminescent galloborate with open-framework layers","CrystEngComm","2014","16","25","5689","","10.1039/c4ce00485j","","","0.71073","MoKα","","0.0364","0.0261","","","0.0554","0.0604","","","","","","1.025","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216053","7.108","0.0014","7.1372","0.0012","9.878","0.003","106.885","0.017","91.569","0.017","119.185","0.011","409.99","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- B4 Ba Ga H3 O10 -","- B4 Ba Ga H3 O10 -","- B8 Ba2 Ga2 H6 O20 -","2","1","","Deng, Ting-Ting; Gao, Yan-E; Zhang, Li-Xia; Gu, Xiang-Yu; Tian, Han-Rui; Liu, Yi; Feng, Yun-Long; Cheng, Jian-Wen","Incorporating [GaB4O11(OH)]8− clusters to construct luminescent galloborate with open-framework layers","CrystEngComm","2014","16","25","5689","","10.1039/c4ce00485j","","","0.71073","MoKα","","0.0479","0.0324","","","0.0651","0.0866","","","","","","1.154","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216121","8.362","0.002","9.211","0.003","14.892","0.004","100.999","0.019","94.355","0.017","97.503","0.017","1110.3","0.5","270","2","270","2","","","","","","","","5","P -1","-P 1","2","[Ni(bpta)(CH3COO)2(H2O)].H2O","","","- C20 H31 N3 Ni O6 -","- C20 H31 N3 Ni O6 -","- C40 H62 N6 Ni2 O12 -","2","1","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","","","0.0601","0.04","","","0.0933","0.1031","","","","","","0.974","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216122","13.9083","0.0006","17.7966","0.0007","18.4094","0.0008","90","","90","","90","","4556.7","0.3","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Ni(bpta)(H2O)2(adc)].2H2O","","","- C20 H29 N3 Ni O8 -","- C20 H29 N3 Ni O8 -","- C160 H232 N24 Ni8 O64 -","8","1","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","MoKα","","0.065","0.0374","","","0.0777","0.088","","","","","","1.013","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216123","9.1706","0.0009","14.658","0.0012","16.5447","0.0016","75.264","0.005","83.445","0.006","87.664","0.006","2136.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[Ni4(bpta)4(fumarate)4(H2O)4].4H2O","","","- C80 H108 N12 Ni4 O24 -","- C80 H108 N12 Ni4 O24 -","- C80 H108 N12 Ni4 O24 -","1","0.5","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","MoKα","","0.0955","0.0452","","","0.0863","0.1123","","","","","","0.897","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216124","14.593","0.0013","9.6778","0.0007","17.2357","0.0015","90","","90","","90","","2434.2","0.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","[Ni(bpta)(succinate)(H2O)2].3H2O","","","- C20 H35 N3 Ni O9 -","- C20 H35 N3 Ni O9 -","- C80 H140 N12 Ni4 O36 -","4","1","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","MoKa","","0.0467","0.0354","","","0.0684","0.0734","","","","","","0.968","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216130","18.429","0.0008","18.1729","0.0013","15.0366","0.0008","90","","90","","90","","5035.9","0.5","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0571","0.0409","","","0.0942","0.1006","","","","","","1.052","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216131","18.4633","0.0008","18.1906","0.0006","15.0501","0.0007","90","","90","","90","","5054.7","0.4","80","2","80","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0617","0.0439","","","0.1057","0.1169","","","","","","1.031","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216132","18.4939","0.0008","18.2041","0.0006","15.0446","0.0007","90","","90","","90","","5065","0.4","130","2","130","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0644","0.0432","","","0.1015","0.1141","","","","","","1.012","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216133","18.5461","0.0008","18.2325","0.0006","15.0393","0.0007","90","","90","","90","","5085.4","0.4","180","2","180","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.067","0.0424","","","0.098","0.1117","","","","","","1.016","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216134","18.599","0.0007","18.265","0.0006","15.0367","0.0007","90","","90","","90","","5108.1","0.3","230","2","230","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0767","0.0424","","","0.0934","0.1105","","","","","","1.002","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216135","18.6446","0.0007","18.2957","0.0006","15.0193","0.0007","90","","90","","90","","5123.3","0.3","280","2","280","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0914","0.0489","","","0.1179","0.1397","","","","","","1.046","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216136","18.704","0.0015","18.303","0.0012","14.9839","0.0013","90","","90","","90","","5129.6","0.7","330","2","330","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.1128","0.0639","","","0.1745","0.2097","","","","","","1.03","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216137","18.7596","0.0017","18.3558","0.0013","14.9944","0.0015","90","","90","","90","","5163.3","0.8","380","2","380","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.1487","0.0796","","","0.2336","0.2915","","","","","","1.047","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216138","18.81","0.002","18.4239","0.0018","15.008","0.002","90","","90","","90","","5201.1","1","430","2","430","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.176","0.0831","","","0.2351","0.3047","","","","","","1.018","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216139","18.833","0.004","18.483","0.004","14.978","0.004","90","","90","","90","","5214","2","480","2","480","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.2133","0.0807","","","0.2499","0.3476","","","","","","0.986","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216140","12.6739","0.0015","14.0712","0.0016","19.438","0.002","102.258","0.003","97.661","0.003","104.351","0.003","3217.9","0.6","130","2","130","2","","","","","","","","4","P -1","-P 1","2","IDipp-C60, (CNPT)2","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct, chloronaphthalene (two molecules) solvate","","- C107 H50 Cl2 N2 -","- C107 H50 Cl2 N2 -","- C214 H100 Cl4 N4 -","2","1","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.2005","0.149","","","0.4171","0.4644","","","","","","1.736","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216141","14.519","0.0008","19.3733","0.0011","22","0.0013","90","","93.887","0.001","90","","6173.9","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct, toluene (two molecules) solvate","","- C101 H52 N2 -","- C101 H52 N2 -","- C404 H208 N8 -","4","1","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0752","0.0519","","","0.1291","0.1437","","","","","","1.026","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216142","12.6739","0.0015","14.0712","0.0016","19.438","0.002","102.258","0.003","97.661","0.003","104.351","0.003","3217.9","0.6","130","2","130","2","","","","","","","","4","P -1","-P 1","2","IDipp-C60, (CNPT)2","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct, chloronaphthalene (two molecules) solvate","","- C107 H50 Cl2 N2 -","- C107 H50 Cl2 N2 -","- C214 H100 Cl4 N4 -","2","1","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.154","0.1063","","","0.287","0.3338","","","","","","1.061","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216143","15.8154","0.0002","8.8922","0.0001","18.4302","0.0002","90","","98.393","0.001","90","","2564.15","0.05","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H18 La2 N6 O18 -","- C15 H10 La2 N6 O18 -","- C60 H40 La8 N24 O72 -","4","1","","Rodrigues, Carime V.; Luz, Leonis L.; Dutra, José Diogo L; Junior, Severino A.; Malta, Oscar L.; Gatto, Claudia C.; Streit, Huayna C.; Freire, Ricardo O.; Wickleder, Claudia; Rodrigues, Marcelo Oliveira","Unusual photoluminescence properties of the 3D mixed-lanthanide-organic frameworks induced by dimeric structures: a theoretical and experimental approach.","Physical chemistry chemical physics : PCCP","2014","16","28","14858","14866","10.1039/c4cp00405a","","","0.71073","MoKα","","0.0292","0.0271","","","0.0538","0.055","","","","","","1.029","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7216144","8.3581","0.0007","19.1124","0.0017","12.87","0.0011","90","","98.448","0.002","90","","2033.6","0.3","102","2","102.58","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 Br4 N4 -","- C13 H28 Br4 N4 -","- C52 H112 Br16 N16 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory","Halogen bonding of electrophilic bromocarbons with pseudohalide anions.","Physical chemistry chemical physics : PCCP","2014","16","25","12968","12979","10.1039/c4cp00976b","","","0.71073","MOKα","","0.0468","0.0358","","","0.0769","0.0811","","","","","","1.091","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216145","8.3579","0.0005","19.0038","0.0011","12.9329","0.0007","90","","98.504","0.002","90","","2031.6","0.2","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Br4 N2 O -","- C14 H28 Br4 N2 O -","- C56 H112 Br16 N8 O4 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory","Halogen bonding of electrophilic bromocarbons with pseudohalide anions.","Physical chemistry chemical physics : PCCP","2014","16","25","12968","12979","10.1039/c4cp00976b","","","1.54178","CuKα","","0.0283","0.0283","","","0.0723","0.0723","","","","","","1.284","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216146","7.8335","0.0005","36.215","0.002","12.8318","0.0008","90","","91.767","0.003","90","","3638.5","0.4","100","2","99.95","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H56 Br4 N4 S2 -","- C27 H56 Br4 N4 S2 -","- C108 H224 Br16 N16 S8 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory","Halogen bonding of electrophilic bromocarbons with pseudohalide anions.","Physical chemistry chemical physics : PCCP","2014","16","25","12968","12979","10.1039/c4cp00976b","","","0.71073","MoKα","","0.0974","0.0398","","","0.0766","0.1002","","","","","","0.834","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216147","8.3003","0.0004","18.9573","0.001","12.948","0.0006","90","","98.635","0.002","90","","2014.29","0.17","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Br3 N3 O3 -","- C14 H28 Br3 N3 O3 -","- C56 H112 Br12 N12 O12 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory","Halogen bonding of electrophilic bromocarbons with pseudohalide anions.","Physical chemistry chemical physics : PCCP","2014","16","25","12968","12979","10.1039/c4cp00976b","","","0.71073","MoKα","","0.0291","0.022","","","0.0467","0.0488","","","","","","1.036","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216148","10.0945","0.0003","11.5019","0.0004","31.8838","0.0011","90","","98.4293","0.0013","90","","3661.9","0.2","100","2","100.03","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H58 Br3 N5 O S2 -","- C28 H58 Br3 N5 O S2 -","- C112 H232 Br12 N20 O4 S8 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory","Halogen bonding of electrophilic bromocarbons with pseudohalide anions.","Physical chemistry chemical physics : PCCP","2014","16","25","12968","12979","10.1039/c4cp00976b","","","1.54178","CuKα","","0.0301","0.0288","","","0.0747","0.0759","","","","","","1.043","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216149","13.7425","0.0009","12.8087","0.0006","16.1475","0.0011","90","","90","","90","","2842.3","0.3","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1125","0.0611","","","0.1291","0.1531","","","","","","1.025","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216150","13.7873","0.001","12.8044","0.0007","16.1354","0.0012","90","","90","","90","","2848.5","0.3","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.941 O -","- C136 H143.528 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1463","0.0677","","","0.1395","0.1737","","","","","","1.002","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216151","13.8192","0.001","12.7869","0.0008","16.1471","0.0013","90","","90","","90","","2853.3","0.4","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.894 O -","- C136 H143.152 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.163","0.0698","","","0.1307","0.1669","","","","","","1.03","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216152","13.4655","0.001","12.5668","0.0009","15.7267","0.001","90","","90","","90","","2661.2","0.3","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1237","0.0573","","","0.1189","0.1521","","","","","","1.031","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216153","13.491","0.0009","12.5526","0.0009","15.73","0.001","90","","90","","90","","2663.8","0.3","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.927 O -","- C136 H143.416 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1387","0.0684","","","0.1418","0.1779","","","","","","1.038","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216154","13.5452","0.0014","12.5231","0.0013","15.7348","0.0015","90","","90","","90","","2669.1","0.5","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.845 O -","- C136 H142.76 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1602","0.0759","","","0.1675","0.2143","","","","","","1.046","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216155","13.649","0.003","12.434","0.002","15.727","0.002","90","","90","","90","","2669.1","0.8","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.56 O -","- C136 H140.48 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.2135","0.1077","","","0.2603","0.3258","","","","","","1.038","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216156","13.8701","0.0012","12.3384","0.0012","15.6455","0.0014","90","","90","","90","","2677.5","0.4","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.138","0.0608","","","0.1258","0.1571","","","","","","1.059","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216157","13.2329","0.0014","12.3822","0.0013","15.3841","0.0013","90","","90","","90","","2520.7","0.4","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1158","0.06","","","0.1064","0.1289","","","","","","1.088","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216158","13.2786","0.0013","12.3373","0.0013","15.3991","0.0013","90","","90","","90","","2522.7","0.4","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.922 O -","- C136 H143.376 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1306","0.0682","","","0.1336","0.161","","","","","","1.054","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216159","13.3379","0.0016","12.2853","0.0017","15.4065","0.0016","90","","90","","90","","2524.5","0.5","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.795 O -","- C136 H142.36 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1706","0.0879","","","0.1843","0.2351","","","","","","1.043","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216160","13.433","0.003","12.206","0.003","15.429","0.002","90","","90","","90","","2529.8","0.9","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.481 O -","- C136 H139.848 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.2529","0.1416","","","0.345","0.4121","","","","","","1.055","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216161","13.661","0.0013","12.0155","0.0014","15.4219","0.0014","90","","90","","90","","2531.4","0.4","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1294","0.0569","","","0.0928","0.1147","","","","","","1.107","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216162","13.17","0.002","12.292","0.002","15.2402","0.0013","90","","90","","90","","2467.2","0.6","299","2","299","2","1500000","","1500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1464","0.0747","","","0.1669","0.2062","","","","","","1.073","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216163","13.243","0.002","12.235","0.003","15.2564","0.0015","90","","90","","90","","2472","0.8","299","2","299","2","1500000","","1500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.888 O -","- C136 H143.104 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1616","0.0789","","","0.1818","0.2276","","","","","","1.059","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216164","13.288","0.003","12.199","0.003","15.287","0.0017","90","","90","","90","","2478","0.9","299","2","299","2","1500000","","1500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.762 O -","- C136 H142.096 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1992","0.0916","","","0.2002","0.2622","","","","","","1.041","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216165","10.33","0.001","20.786","0.001","12.908","0.001","90","","100.697","0.001","90","","2723.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 N4 O6 Tb -","- C31 H19 N4 O6 Tb -","- C124 H76 N16 O24 Tb4 -","4","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0335","0.0255","","","0.0608","0.0639","","","","","","1.051","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216166","8.942","0.001","10.033","0.001","12.792","0.001","79.834","0.001","79.463","0.001","86.005","0.001","1109.74","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15 Eu N4 O6.5 -","- C25 H14 Eu N4 O6.5 -","- C50 H28 Eu2 N8 O13 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0318","0.0283","","","0.0711","0.0764","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216167","7.626","0.001","13.117","0.001","16.103","0.001","99.972","0.001","99.69","0.001","98.667","0.001","1536.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 N6 O7 Tb -","- C35 H24 N6 O7 Tb -","- C70 H48 N12 O14 Tb2 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.036","0.0322","","","0.0841","0.0924","","","","","","1.075","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216168","7.666","0.001","13.178","0.001","16.123","0.001","100.232","0.001","99.576","0.001","98.785","0.001","1552.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 Eu N6 O7 -","- C35 H24 Eu N6 O7 -","- C70 H48 Eu2 N12 O14 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0362","0.0311","","","0.0828","0.091","","","","","","1.041","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216169","10.09","0.001","14.133","0.001","15.143","0.001","70.273","0.001","71.654","0.001","76.327","0.001","1908.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H29 N8 O6 Tb -","- C45 H29 N8 O6 Tb -","- C90 H58 N16 O12 Tb2 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0445","0.035","","","0.087","0.1008","","","","","","1.04","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216170","10.066","0.005","14.037","0.008","15.093","0.008","70.602","0.008","71.933","0.007","76.487","0.008","1891.9","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H29 Eu N8 O6 -","- C45 H29 Eu N8 O6 -","- C90 H58 Eu2 N16 O12 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0613","0.0473","","","0.1321","0.1484","","","","","","1.089","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216171","9.3854","0.0005","14.0773","0.0006","14.0972","0.0006","65.54","0.002","70.737","0.002","79.985","0.002","1598.95","0.13","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C60 H76 N4 O18 S4 -","- C60 H76 N4 O18 S4 -","- C60 H76 N4 O18 S4 -","1","1","","Harrowfield, Jack M.; Hirsch, Anna Katharina Herta; sirlin, claude; Lehn, Jean-Marie","A Doubly Hermaphroditic Chiral Crown Ether","CrystEngComm","2014","","","","","10.1039/c4ce00879k","","","0.71073","MoKα","","0.1041","0.072","","","0.168","0.1977","","","","","","1.08","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216172","12.889","0.002","14.4316","0.0018","13.6143","0.0019","90","","105.888","0.01","90","","2435.6","0.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H22 N2 Na2 O8 Pd -","- C20 H22 N2 Na2 O8 Pd -","- C80 H88 N8 Na8 O32 Pd4 -","4","0.5","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0189","0.0164","","","0.0537","0.0697","","","","","","1.332","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216173","16.317","0.002","25.271","0.002","13.9855","0.0014","90","","124.893","0.006","90","","4730.1","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H42 K4 N4 O15 Pd2 -","- C40 H42 K4 N4 O15 Pd2 -","- C160 H168 K16 N16 O60 Pd8 -","4","1","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0203","0.0199","","","0.049","0.0493","","","","","","1.046","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216174","16.4305","0.001","25.181","0.0019","14.1936","0.0007","90","","124.878","0.002","90","","4817.6","0.5","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H42 N4 O15 Pd2 Rb4 -","- C40 H36 N4 O15 Pd2 Rb4 -","- C160 H144 N16 O60 Pd8 Rb16 -","4","1","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0647","0.0628","","","0.1924","0.1973","","","","","","1.063","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216175","24.874","0.005","24.355","0.005","26.539","0.005","90","","90","","90","","16077","6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H74 Cs6 N6 O28 Pd3 -","- C60 H54 Cs6 N6 O28 Pd3 -","- C480 H432 Cs48 N48 O224 Pd24 -","8","1","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.1011","0.0681","","","0.2282","0.2592","","","","","","1.075","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216176","16.4083","0.0006","22.4457","0.0012","13.474","0.0004","90","","124.48","0.001","90","","4090.6","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H20 N2 Na2 O7 Pd -","- C20 H18 N2 Na2 O7 Pd -","- C160 H144 N16 Na16 O56 Pd8 -","8","2","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis–trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0294","0.0286","","","0.0747","0.0812","","","","","","1.08","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7216177","7.7195","0.0005","8.2128","0.0005","26.4533","0.0017","90","","90","","90","","1677.11","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 N2 O8 -","- C14 H20 N2 O8 -","- C56 H80 N8 O32 -","4","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.1123","0.0678","","","0.1084","0.121","","","","","","1.084","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216178","6.9544","0.0005","11.7552","0.0008","26.8723","0.0019","90","","90","","90","","2196.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N2 O7 -","- C20 H30 N2 O7 -","- C80 H120 N8 O28 -","4","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.1196","0.0615","","","0.1383","0.1635","","","","","","1.016","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216179","12.374","0.003","7.6754","0.0015","12.714","0.003","90","","107.15","0.03","90","","1153.8","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N2 O8 -","- C20 H32 N2 O8 -","- C40 H64 N4 O16 -","2","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.0761","0.0489","","","0.1206","0.1456","","","","","","1.217","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216180","10.5665","0.001","7.6596","0.0007","12.8714","0.0011","90","","106.949","0.002","90","","996.5","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H28 N2 O8 -","- C18 H28 N2 O8 -","- C36 H56 N4 O16 -","2","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.1041","0.0816","","","0.2045","0.2254","","","","","","1.027","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216181","18.3488","0.0005","18.3488","0.0005","11.1379","0.0006","90","","90","","120","","3247.5","0.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H21.57 N3 O9.28 -","- C18 H21 N3 O9 -","- C108 H126 N18 O54 -","6","0.333333","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.093","0.0889","","","0.2394","0.2413","","","","","","1.25","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216182","24.552","0.005","17.135","0.003","19.302","0.004","90","","111.1","0.03","90","","7576","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H66 Ge2 K2 Mo16 N6 O71 -","- C9 H33 Ge2 K Mo16 N6 O71 -","- C36 H132 Ge8 K4 Mo64 N24 O284 -","4","0.5","","Gao, Yan-Qing; Zhang, Zhi-Ming; Shen, Jian-Qiang; Jia, Yue; Liu, Zhu-Jun; Wang, En-Bo","Self-assembly and thermotropic liquid crystal properties of a hexavacant germanomolybdate: [Ge2Mo16O58]12−","CrystEngComm","2014","16","29","6784","","10.1039/c4ce00536h","","","0.71073","MoKα","","0.0646","0.0464","","","0.1322","0.144","","","","","","0.983","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216183","21.051","0.004","15.483","0.003","13.472","0.003","90","","103.62","0.03","90","","4267.5","1.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Ge2 H60 Mo16 Na12 O88 -","- Ge2 Mo16 Na12 O88 -","- Ge4 Mo32 Na24 O176 -","2","0.25","","Gao, Yan-Qing; Zhang, Zhi-Ming; Shen, Jian-Qiang; Jia, Yue; Liu, Zhu-Jun; Wang, En-Bo","Self-assembly and thermotropic liquid crystal properties of a hexavacant germanomolybdate: [Ge2Mo16O58]12−","CrystEngComm","2014","16","29","6784","","10.1039/c4ce00536h","","","0.71073","MoKα","","0.0453","0.0399","","","0.1212","0.1237","","","","","","1.091","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216184","9.2869","0.0019","9.636","0.002","11.202","0.002","84.187","0.003","72.065","0.003","64.104","0.003","857.3","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H19 N -","- C23 H19 N -","- C46 H38 N2 -","2","1","","Taheri, Amir; Liu, Changhui; Lai, Bingbing; Cheng, Cheng; Pan, Xiaojuan; Gu, Yanlong","Brønsted acid ionic liquid catalyzed facile synthesis of 3-vinylindoles through direct C3 alkenylation of indoles with simple ketones","Green Chemistry","2014","16","8","3715","","10.1039/C4GC00840E","","","0.71073","MoKα","","0.0436","0.0394","","","0.0969","0.0998","","","","","","0.995","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216185","7.859","0.004","7.981","0.004","23.406","0.012","90","","92.401","0.009","90","","1466.8","1.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H19 N -","- C20 H19 N -","- C80 H76 N4 -","4","2","","Taheri, Amir; Liu, Changhui; Lai, Bingbing; Cheng, Cheng; Pan, Xiaojuan; Gu, Yanlong","Brønsted acid ionic liquid catalyzed facile synthesis of 3-vinylindoles through direct C3 alkenylation of indoles with simple ketones","Green Chemistry","2014","16","8","3715","","10.1039/C4GC00840E","","","0.71073","MoKα","","0.1756","0.1541","","","0.498","0.5295","","","","","","1","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216196","10.1044","0.0005","18.7022","0.0008","26.5462","0.0012","90","","98.448","0.002","90","","4962.1","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 Cl2 Hg2 N8 O12 -","- C36 H52 Cl2 Hg2 N8 O12 -","- C144 H208 Cl8 Hg8 N32 O48 -","4","0.5","","Pati, Anita; Athilakshmi, Jeyaraman; Ramkumar, Venkatachalam; Chand, Dillip Kumar","A two-dimensional polydodecameric water‒chloride cluster enfolding (Hg‒Cl‒Hg)+concealed cascade cryptate","CrystEngComm","2014","16","30","6827","","10.1039/C4CE00802B","","","0.71073","MoKα","","0.0509","0.0407","","","0.1012","0.1059","","","","","","1.098","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216197","16.052","0.009","21.298","0.012","8.932","0.005","90","","99.1","0.02","90","","3015","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Cl3 Hg2 N8 O2 -","- C54 H76 Cl3 Hg2 N8 O2 -","- C108 H152 Cl6 Hg4 N16 O4 -","2","0.5","","Pati, Anita; Athilakshmi, Jeyaraman; Ramkumar, Venkatachalam; Chand, Dillip Kumar","A two-dimensional polydodecameric water‒chloride cluster enfolding (Hg‒Cl‒Hg)+concealed cascade cryptate","CrystEngComm","2014","16","30","6827","","10.1039/C4CE00802B","","","0.71073","MoKα","","0.1549","0.0871","","","0.2432","0.3047","","","","","","1.025","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216198","7.019","0.003","28.604","0.003","5.964","0.003","90","","91.808","0.008","90","","1196.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cu N2 O4 -","- C13 H10 Cu N2 O4 -","- C52 H40 Cu4 N8 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","0.71073","MoKα","","0.0742","0.06","","","0.128","0.1327","","","","","","1.214","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216199","6.9188","0.0008","31.18","0.012","6.2103","0.0011","90","","93.463","0.015","90","","1337.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cu N2 O4 -","- C15 H10 Cu N2 O4 -","- C60 H40 Cu4 N8 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","0.71073","MoKα","","0.0865","0.0578","","","0.1369","0.1475","","","","","","1.013","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216200","6.3297","0.0002","31.7864","0.0011","6.939","0.0002","90","","92.732","0.003","90","","1394.53","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cu N2 O4 -","- C15 H10 Cu N2 O4 -","- C60 H40 Cu4 N8 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","1.54184","CuKα","","0.038","0.0323","","","0.0827","0.0867","","","","","","1.028","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216201","6.2264","0.0011","30.6016","0.0017","6.9804","0.0012","90","","93.297","0.013","90","","1327.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl Cu N O4 -","- C14 H10 Cl Cu N O4 -","- C56 H40 Cl4 Cu4 N4 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","0.71073","MoKα","","0.1535","0.0876","","","0.1791","0.196","","","","","","1.148","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216202","6.2413","0.0002","31.0345","0.0007","6.9777","0.0002","90","","93.573","0.002","90","","1348.92","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Br Cu N O4 -","- C14 H10 Br Cu N O4 -","- C56 H40 Br4 Cu4 N4 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","1.54184","CuKα","","0.0604","0.0574","","","0.1675","0.1707","","","","","","1.184","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216203","6.2716","0.0002","31.968","0.0007","6.9916","0.0002","90","","93.949","0.002","90","","1398.42","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cu I N O4 -","- C14 H10 Cu I N O4 -","- C56 H40 Cu4 I4 N4 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","1.54184","CuKα","","0.0524","0.0491","","","0.1364","0.1392","","","","","","1.181","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216204","6.8019","0.0004","14.4384","0.0008","19.8727","0.0012","90.46","0.002","99.276","0.002","101.46","0.002","1886.13","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N5 O4.5 S -","- C18 H18 N5 O4.5 S -","- C72 H72 N20 O18 S4 -","4","2","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.1543","0.0567","","","","0.0996","","","","","","0.949","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216205","8.151","0.0005","26.5997","0.0017","10.1579","0.0007","90","","113.394","0.003","90","","2021.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N6 O4 S -","- C20 H20 N6 O4 S -","- C80 H80 N24 O16 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0798","0.0601","","","","0.1699","","","","","","1.146","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216206","6.9103","0.0001","22.1444","0.0005","25.1813","0.0005","90","","97.068","0.001","90","","3824.07","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H71 N21 O16 S4 -","- C74 H71 N21 O16 S4 -","- C148 H142 N42 O32 S8 -","2","0.5","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.1322","0.0572","","","0.1219","0.1456","","","","","","0.978","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216207","10.9928","0.0008","15.3135","0.0015","12.551","0.001","90","","112.039","0.004","90","","1958.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N5 O4 S -","- C19 H19 N5 O4 S -","- C76 H76 N20 O16 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.1021","0.0567","","","0.1151","0.1309","","","","","","0.985","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216208","12.005","0.003","13.789","0.003","13.81","0.004","72.186","0.007","68.682","0.007","80.962","0.007","2024.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 N5 O4 S -","- C22 H19 N5 O4 S -","- C88 H76 N20 O16 S4 -","4","2","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.1858","0.0618","","","","0.102","","","","","","0.887","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216209","6.9267","0.0002","8.3356","0.0003","28.8177","0.001","86.485","0.002","84.209","0.002","76.271","0.001","1606.89","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 N9 O8 S2 -","- C32 H29 N9 O8 S2 -","- C64 H58 N18 O16 S4 -","2","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0916","0.0616","","","0.1327","0.1457","","","","","","1.096","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216210","11.6101","0.0006","26.2908","0.0015","6.771","0.0003","90","","103.48","0.003","90","","2009.84","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N6 O4 S -","- C21 H18 N6 O4 S -","- C84 H72 N24 O16 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0721","0.0546","","","","0.1538","","","","","","1.081","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216211","6.792","0.011","8.646","0.015","29.66","0.05","94.159","0.011","90.513","0.018","104.78","0.04","1679","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N8 O8 S2 -","- C34 H30 N8 O8 S2 -","- C68 H60 N16 O16 S4 -","2","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.6889","synchrotron","","0.2644","0.1739","","","","0.4876","","","","","","1.239","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216212","9.1504","0.0004","10.9678","0.0004","11.7747","0.0005","89.228","0.002","75.765","0.002","70.977","0.002","1080","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Cl2 N3 O8 S -","- C21 H15 Cl2 N3 O8 S -","- C42 H30 Cl4 N6 O16 S2 -","2","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0586","0.0376","","","0.0844","0.0909","","","","","","0.945","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216213","8.5627","0.0005","13.3395","0.0007","19.3963","0.0012","90","","100.925","0.003","90","","2175.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl2 N3 O8 S -","- C21 H15 Cl2 N3 O8 S -","- C84 H60 Cl8 N12 O32 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0797","0.0397","","","0.0678","0.0762","","","","","","0.922","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216214","7.0616","0.0008","11.6031","0.0013","13.2994","0.0017","71.351","0.005","84.932","0.005","78.919","0.005","1012.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Cl N4 O6 S -","- C20 H17 Cl N4 O6 S -","- C40 H34 Cl2 N8 O12 S2 -","2","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0896","0.045","","","","0.1065","","","","","","0.984","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216215","8.8422","0.0017","13.437","0.002","19.242","0.004","90","","100.518","0.011","90","","2247.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br2 N3 O8 S -","- C21 H15 Br2 N3 O8 S -","- C84 H60 Br8 N12 O32 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.049","0.0319","","","","0.0785","","","","","","0.935","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216216","8.0679","0.0009","16.014","0.0017","3.5224","0.0004","90","","101.112","0.001","90","","446.56","0.09","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4 O10 Tm -","- B3 Ca4.021 O10 Tm1.005 -","- B6 Ca8.042 O20 Tm2.01 -","2","0.5","","Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Hou, Shuai; Yang, Lei; Xu, Xinguang; Zhao, Xian","Bulk growth and nonlinear optical properties of thulium calcium oxyborate single crystals","CrystEngComm","2014","16","30","7141","","10.1039/C4CE00869C","","","0.71069","MoKα","","0.0152","0.0152","","","0.0359","0.0359","","","","","","0.869","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216217","13.6451","0.0019","13.6451","0.0019","17.203","0.003","90","","90","","120","","2773.9","0.7","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C36 H90 Fe6 N6 O27 -","- C36 H72 Fe6 N6 O27 -","- C72 H144 Fe12 N12 O54 -","2","0.166667","","Liu, Sui-Jun; Han, Song-De; Jia, Ji-Min; Xue, Li; Cui, Yu; Zhang, Shu-Ming; Chang, Ze","Step-by-step synthesis of one Fe6 wheel and two Fe10 clusters derived from a multidentate triethanolamine ligand","CrystEngComm","2014","16","24","5212","","10.1039/c3ce42381f","","","0.71073","MoKα","","0.0674","0.0593","","","0.1388","0.1427","","","","","","1.189","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216218","37.09","0.02","11.39","0.007","29.307","0.016","90","","90.01","0.001","90","","12381","12","113","2","386","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H80 Fe10 N6 O34 -","- C42 H78 Fe10 N6 O34 -","- C336 H624 Fe80 N48 O272 -","8","1","","Liu, Sui-Jun; Han, Song-De; Jia, Ji-Min; Xue, Li; Cui, Yu; Zhang, Shu-Ming; Chang, Ze","Step-by-step synthesis of one Fe6 wheel and two Fe10 clusters derived from a multidentate triethanolamine ligand","CrystEngComm","2014","16","24","5212","","10.1039/c3ce42381f","","","0.71073","MoKα","","0.1286","0.0991","","","0.1801","0.2036","","","","","","1.005","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216219","11.154","0.002","29.642","0.006","21.965","0.004","90","","104.05","0.03","90","","7045","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H87 Cl4 Fe10 N7 O27 -","- C43 H84 Cl4 Fe10 N7 O27 -","- C172 H336 Cl16 Fe40 N28 O108 -","4","1","","Liu, Sui-Jun; Han, Song-De; Jia, Ji-Min; Xue, Li; Cui, Yu; Zhang, Shu-Ming; Chang, Ze","Step-by-step synthesis of one Fe6 wheel and two Fe10 clusters derived from a multidentate triethanolamine ligand","CrystEngComm","2014","16","24","5212","","10.1039/c3ce42381f","","","0.71073","MoKα","","0.1104","0.0811","","","0.2013","0.2186","","","","","","1.098","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216220","11.597","0.004","22.299","0.007","13.655","0.005","90","","94.344","0.006","90","","3521","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cl Fe N24 O14 -","- C18 H32 Cl Fe N24 O14 -","- C72 H128 Cl4 Fe4 N96 O56 -","4","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0751","0.0502","","","0.1376","0.1497","","","","","","0.993","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216221","13.4174","0.0006","18.1772","0.0007","22.334","0.0008","90","","90","","90","","5447.1","0.4","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C22 H22 Fe K N4 O14 -","- C22 H22 Fe K N4 O14 -","- C176 H176 Fe8 K8 N32 O112 -","8","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.085","0.0449","","","0.09","0.1041","","","","","","1.043","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216222","7.599","0.0005","11.7318","0.0007","16.7071","0.001","88.582","0.001","88.202","0.001","71.4","0.001","1410.78","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Fe N4 O11 -","- C28 H23 Fe N4 O11 -","- C56 H46 Fe2 N8 O22 -","2","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0543","0.0435","","","0.1233","0.1298","","","","","","1.013","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216223","10.6758","0.0008","10.7457","0.0008","10.8774","0.0009","113.219","0.008","109.138","0.007","99.294","0.006","1020.84","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cl4 Fe2 N8 O12 -","- C34 H32 Cl4 Fe2 N8 O12 -","- C34 H32 Cl4 Fe2 N8 O12 -","1","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0877","0.0498","","","0.1086","0.1294","","","","","","1.02","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216224","14.7637","0.0012","20.5458","0.0015","9.5211","0.0008","90","","107.412","0.009","90","","2755.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Fe K N4 O14 -","- C22 H24 Fe K N4 O14 -","- C88 H96 Fe4 K4 N16 O56 -","4","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0381","0.0315","","","0.0771","0.0801","","","","","","1.03","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7216225","14.7204","0.0005","16.3987","0.0006","18.7939","0.0007","90","","103.259","0.001","90","","4415.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Fe K N4 O13 -","- C16 H18 Fe K N4 O13 -","- C128 H144 Fe8 K8 N32 O104 -","8","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0382","0.0339","","","0.0906","0.0932","","","","","","1.093","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216226","14.5197","0.001","12.4744","0.0008","9.3796","0.0007","90","","109.26","0.008","90","","1603.8","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 Fe N6 O4 -","- C14 H9 Fe N6 O4 -","- C56 H36 Fe4 N24 O16 -","4","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0492","0.042","","","0.0862","0.0921","","","","","","1.012","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216227","7.6299","0.0006","8.1873","0.0007","10.0309","0.0009","107.527","0.008","100.261","0.007","95.27","0.007","580.85","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 Fe2 N4 O20 -","- C12 H26 Fe2 N4 O20 -","- C12 H26 Fe2 N4 O20 -","1","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0434","0.0355","","","0.0889","0.094","","","","","","1.065","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216228","11.539","0.003","11.562","0.003","14.283","0.003","99.419","0.003","96.191","0.003","117.938","0.003","1623.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H48 N16 O19 Zn5 -","- C62 H46 N16 O19 Zn5 -","- C62 H46 N16 O19 Zn5 -","1","0.5","","Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin","Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties","CrystEngComm","2014","16","32","7536","","10.1039/C4CE00835A","","","0.71073","MoKα","","0.0896","0.0663","","","0.1852","0.2045","","","","","","1.019","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216229","7.999","0.01","11.703","0.005","17.386","0.002","104.387","0.002","98.557","0.002","96.306","0.002","1541","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H31 N7 O15 S Zn2 -","- C23 H31 N7 O15 S Zn2 -","- C46 H62 N14 O30 S2 Zn4 -","2","1","","Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin","Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties","CrystEngComm","2014","16","32","7536","","10.1039/C4CE00835A","","","0.71073","MoKα","","0.0417","0.0368","","","0.0975","0.1008","","","","","","1.034","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216230","14.6517","0.0016","7.8277","0.0008","22.551","0.002","90","","90.01","0.02","90","","2586.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H42 N12 O17 Zn2 -","- C54 H38 N12 O17 Zn2 -","- C108 H76 N24 O34 Zn4 -","2","0.5","","Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin","Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties","CrystEngComm","2014","16","32","7536","","10.1039/C4CE00835A","","","0.71073","MoKα","","0.0512","0.0393","","","0.115","0.1341","","","","","","1.075","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216231","10.426","0.005","18.99","0.01","11.711","0.006","90","","96.875","0.01","90","","2302","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N7 O7 Zn -","- C23 H15 N7 O7 Zn -","- C92 H60 N28 O28 Zn4 -","4","1","","Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin","Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties","CrystEngComm","2014","16","32","7536","","10.1039/C4CE00835A","","","0.71073","MoKα","","0.0328","0.0297","","","0.0829","0.0851","","","","","","1.039","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216232","17.5405","0.0009","17.5405","0.0009","76.087","0.003","90","","90","","120","","20273.3","1.7","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C48 H12 Co9 Li3 N36 O54 -","- C48 H12 Co9 Li3 N36 O54 -","- C288 H72 Co54 Li18 N216 O324 -","6","0.166667","","Zou, Ji-Yong; Shi, Wei; Zhang, Jing-Ya; He, Yan-Fei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Alkaline cation directed structural diversity of cubic-cage-based cobalt(ii) metal‒organic frameworks: from pcu to bct net","CrystEngComm","2014","16","30","7133","","10.1039/C4CE00597J","","","0.71073","MoKα","","0.1077","0.062","","","0.1614","0.1806","","","","","","0.952","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216233","17.6972","0.0011","17.6972","0.0011","76.397","0.005","90","","90","","120","","20721","2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C48 H12 Co9 Li3 N36 O54 -","- C48 H12 Co9 Li3 N36 O54 -","- C288 H72 Co54 Li18 N216 O324 -","6","0.166667","","Zou, Ji-Yong; Shi, Wei; Zhang, Jing-Ya; He, Yan-Fei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Alkaline cation directed structural diversity of cubic-cage-based cobalt(ii) metal‒organic frameworks: from pcu to bct net","CrystEngComm","2014","16","30","7133","","10.1039/C4CE00597J","","","0.71073","MoKα","","0.1139","0.0553","","","0.1475","0.168","","","","","","0.903","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216234","28.9159","0.0013","18.0006","0.0012","28.5482","0.0014","90","","110.501","0.005","90","","13918.3","1.4","126.1","0.3","126.1","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H4 Co8 K5 N36 O51 -","- C48 H4 Co8 K5 N36 O51 -","- C192 H16 Co32 K20 N144 O204 -","4","0.5","","Zou, Ji-Yong; Shi, Wei; Zhang, Jing-Ya; He, Yan-Fei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Alkaline cation directed structural diversity of cubic-cage-based cobalt(ii) metal‒organic frameworks: from pcu to bct net","CrystEngComm","2014","16","30","7133","","10.1039/C4CE00597J","","","0.71073","MoKα","","0.1219","0.0785","","","0.227","0.2515","","","","","","0.971","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216235","6.966","0.003","10.138","0.002","13.113","0.003","70.48","0.02","86.08","0.03","71.43","0.03","826.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Ca Cl2 N12 O18 -","- C16 H32 Ca Cl2 N12 O18 -","- C16 H32 Ca Cl2 N12 O18 -","1","0.5","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.1379","0.074","","","0.181","0.226","","","","","","1.018","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216236","7.042","0.002","10.068","0.003","10.415","0.003","63.28","0.02","83.44","0.02","86.87","0.02","655.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H9 Ca Cl2 N3 O11 -","- C4 H9 Ca Cl2 N3 O11 -","- C8 H18 Ca2 Cl4 N6 O22 -","2","1","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.0505","0.0435","","","0.1252","0.1367","","","","","","1.088","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216237","9.487","0.002","9.65","0.002","9.796","0.002","84.51","0.02","88.01","0.02","62.17","0.02","789.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Ca Cl2 N6 O4 -","- C8 H14 Ca Cl2 N6 O4 -","- C16 H28 Ca2 Cl4 N12 O8 -","2","1","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.0741","0.0452","","","0.0893","0.1113","","","","","","1.092","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216238","21.7076","0.0009","21.7076","0.0009","59.216","0.004","90","","90","","90","","27904","2","100","2","100","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C72 H80 Ca4 Cl8 N24 O100 -","- C72 H88 Ca4 Cl N24 O60 -","- C576 H704 Ca32 Cl8 N192 O480 -","8","0.5","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.068","0.0597","","","0.1704","0.1748","","","","","","1.049","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216239","12.2222","0.0005","12.6202","0.0003","12.6332","0.0003","103.712","0.001","109.206","0.001","108.164","0.001","1618.41","0.09","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H80 Ca2 Cl4 N12 O34 -","- C36 H74 Ca2 Cl4 N12 O33.999 -","- C36 H74 Ca2 Cl4 N12 O33.999 -","1","1","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.044","0.0409","","","0.1178","0.1215","","","","","","1.037","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216240","12.298","","8.762","","19.691","","90","","102.16","","90","","2074.2","","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H56 Ca2 N6 O32 P2 -","- C18 H24 Ca2 N6 O32 P2 -","- C36 H48 Ca4 N12 O64 P4 -","2","1","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.0453","0.0437","","","0.1262","0.129","","","","","","1.068","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216241","7.673","0.006","13.318","0.011","16.25","0.014","90","","90","","90","","1661","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","COCRYSTAL 1","","","- C12 H13 Cl N6 O5 S2 -","- C12 H13 Cl N6 O5 S2 -","- C48 H52 Cl4 N24 O20 S8 -","4","1","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.112","0.0538","","","0.0996","0.1215","","","","","","1.022","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216242","7.5201","0.0011","18.295","0.003","17.782","0.003","90","","93.534","0.009","90","","2441.8","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","COCRYSTAL 5","","","- C22 H22 Cl N6 O5 S2 -","- C22 H22 Cl N6 O5 S2 -","- C88 H88 Cl4 N24 O20 S8 -","4","1","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.1023","0.0481","","","0.0986","0.1148","","","","","","0.939","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216243","10.676","0.002","23.734","0.005","8.556","0.0016","90","","95.786","0.008","90","","2156.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","COCRYSTAL 6","","","- C19 H20 Cl N5 O4 S2 -","- C19 H20 Cl N5 O4 S2 -","- C76 H80 Cl4 N20 O16 S8 -","4","1","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.1882","0.0673","","","0.0858","0.1114","","","","","","1.017","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216244","11.2718","0.0014","26.189","0.003","21.16","0.003","90","","93.349","0.009","90","","6235.7","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","HCTEN","","","- C31 H32 Cl N7 O4 S2 -","- C31 H28 Cl N7 O4 S2 -","- C248 H224 Cl8 N56 O32 S16 -","8","2","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.2088","0.0912","","","0.2063","0.2664","","","","","","1.022","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216245","9.0139","0.0003","21.2524","0.0008","22.2753","0.0008","90","","90","","90","","4267.2","0.3","120","0.2","120","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","disodium guanosine-5-phosphate heptahydrate","","- C10 H26 N5 Na2 O15 P -","- C10 H26 N5 Na2 O15 P -","- C80 H208 N40 Na16 O120 P8 -","8","2","","Dračínský, Martin; Šála, Michal; Hodgkinson, Paul","Dynamics of water molecules and sodium ions in solid hydrates of nucleotides","CrystEngComm","2014","16","29","6756","","10.1039/c4ce00727a","","","0.71073","MoKα","","0.116","0.0794","","","0.1792","0.2118","","","","","","1.029","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216246","17.125","0.003","14.6887","0.0018","7.0147","0.0011","90","","93.338","0.016","90","","1761.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 N4 O2 P S2 -","- C12 H21 N4 O2 P S2 -","- C48 H84 N16 O8 P4 S8 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.1248","0.1007","","","0.2267","0.2412","","","","","","0.996","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216247","6.8774","0.0005","14.6409","0.0014","15.1569","0.0012","70.775","0.008","89.447","0.006","83.841","0.007","1432.2","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H31 N4 O5 P S2 -","- C26 H31 N4 O5 P S2 -","- C52 H62 N8 O10 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0695","0.052","","","0.1332","0.1447","","","","","","1.04","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216248","8.5874","0.0007","11.9114","0.0014","12.8574","0.0015","98.428","0.01","109.104","0.009","96.547","0.008","1210.7","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H24 Cl N4 O3 P S2 -","- C19 H24 Cl N4 O3 P S2 -","- C38 H48 Cl2 N8 O6 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0583","0.0463","","","0.1191","0.1261","","","","","","1.05","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216249","8.5957","0.0013","11.821","0.002","12.807","0.002","98.558","0.015","108.643","0.015","97.79","0.015","1195.8","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H24 Br N4 O3 P S2 -","- C19 H24 Br N4 O3 P S2 -","- C38 H48 Br2 N8 O6 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.048","0.0424","","","0.1101","0.1141","","","","","","1.037","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216250","9.0052","0.0008","11.7572","0.001","12.3225","0.0011","98.558","0.007","106.445","0.007","97.06","0.007","1218.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H23 Cl2 N4 O3 P S2 -","- C19 H23 Cl2 N4 O3 P S2 -","- C38 H46 Cl4 N8 O6 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0567","0.0436","","","0.0955","0.1001","","","","","","1.104","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216251","25.4932","0.0013","8.2482","0.0005","25.1957","0.0014","90","","101.28","0.004","90","","5195.6","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Br2 N4 O3.5 P S2 -","- C20 H26 Br2 N4 O3.5 P S2 -","- C160 H208 Br16 N32 O28 P8 S16 -","8","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0821","0.0546","","","0.1208","0.1318","","","","","","1.027","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216252","13.467","0.008","20.219","0.011","19.994","0.011","90","","90.088","0.008","90","","5444","5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 O48 Si24 -","- C8 O48 Si24 -","- C32 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1345","0.0498","","","0.1125","0.1347","","","","","","0.835","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216253","13.33","0.03","20.04","0.04","19.81","0.04","90","","89.97","0.04","90","","5292","19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7.1 H0 O48 Si24 -","- C7.132 O48 Si24 -","- C28.528 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1506","0.055","","","0.1114","0.1353","","","","","","0.835","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216254","13.549","0.004","20.223","0.006","20.059","0.006","90","","90.103","0.004","90","","5496","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4.4 H0 O48 Si24 -","- C4.428 O48 Si24 -","- C17.712 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1353","0.0486","","","0.1409","0.1682","","","","","","0.887","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216255","13.435","0.019","20.16","0.03","19.9","0.03","90","","90","0.04","90","","5390","14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H0 O48 Si24 -","- C10 O48 Si24 -","- C40 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1269","0.052","","","0.1144","0.1336","","","","","","0.821","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216256","13.418","0.005","20.131","0.007","19.924","0.007","90","","90.06","0.013","90","","5382","3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 O48 Si24 -","- C8 O48 Si24 -","- C32 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1245","0.0506","","","0.1171","0.1337","","","","","","0.925","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216257","13.534","0.003","20.319","0.005","20.104","0.005","90","","90.045","0.004","90","","5529","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 O48 Si24 -","- C12 O48 Si24 -","- C48 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.0593","0.0455","","","0.1362","0.1449","","","","","","1.003","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216258","13.47","0.02","20.19","0.01","19.98","0.007","90","","90.02","0.007","90","","5434","9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 O48 Si24 -","- C10 O48 Si24 -","- C40 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1371","0.0492","","","0.106","0.1281","","","","","","0.82","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216259","13.465","0.007","20.177","0.011","19.962","0.011","90","","90.052","0.006","90","","5423","5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7.6 H0 O48 Si24 -","- C7.596 O48 Si24 -","- C30.384 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1043","0.0464","","","0.1244","0.1404","","","","","","0.92","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216260","13.455","0.003","20.19","0.004","19.95","0.004","90","","90.16","0.03","90","","5419.5","1.9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4.4 O48 Si24 -","- C4.396 O48 Si24 -","- C17.584 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1963","0.0525","","","0.0983","0.1281","","","","","","0.738","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216261","13.375","0.017","20.13","0.02","19.9","0.02","90","","90.1","0.03","90","","5358","10","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C O48 Si24 -","- C0.976 O48 Si24 -","- C3.904 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1164","0.0534","","","0.1119","0.128","","","","","","0.862","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216262","13.465","0.006","20.16","0.009","19.99","0.009","90","","89.983","0.008","90","","5426","4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H0 O48 Si24 -","- C3.048 O48 Si24 -","- C12.192 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1217","0.0484","","","0.1365","0.1605","","","","","","0.874","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216263","13.29","0.02","20.02","0.03","19.79","0.03","90","","90.04","0.03","90","","5265","14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C1.3 H0 O48 Si24 -","- C1.305 O48 Si24 -","- C5.22 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1203","0.0549","","","0.1102","0.1273","","","","","","0.872","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216264","13.462","0.006","20.198","0.008","19.99","0.009","90","","90.091","0.012","90","","5435","4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C3.6 O48 Si24 -","- C3.592 O48 Si24 -","- C14.368 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1646","0.0555","","","0.1356","0.1593","","","","","","0.942","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216265","13.517","0.006","20.307","0.01","20.071","0.009","90","","89.998","0.006","90","","5509","4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 O48 Si24 -","- C4.02 O48 Si24 -","- C16.08 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.0501","0.0416","","","0.1302","0.1357","","","","","","1.069","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216266","13.431","0.006","20.148","0.008","19.921","0.009","90","","90.116","0.012","90","","5391","4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C5 O48 Si24 -","- C5 O48 Si24 -","- C20 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1623","0.0594","","","0.1484","0.1791","","","","","","0.975","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216267","13.448","0.009","20.156","0.014","19.971","0.014","90","","89.962","0.007","90","","5413","6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4.5 H0 O48 Si24 -","- C4.532 O48 Si24 -","- C18.128 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1332","0.0513","","","0.1423","0.1649","","","","","","0.887","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216341","10.3636","0.0009","12.2034","0.0011","14.0163","0.0012","89.208","0.002","73.739","0.001","75.875","0.001","1647.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 Co N4 O8 -","- C40 H26 Co N4 O8 -","- C80 H52 Co2 N8 O16 -","2","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0621","0.0439","","","0.111","0.1297","","","","","","1.003","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216342","19.7798","0.0006","12.5466","0.0011","25.8545","0.0006","90","","110.619","0.003","90","","6005.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 Co2 N4 O8 -","- C34 H20 Co2 N4 O8 -","- C272 H160 Co16 N32 O64 -","8","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0674","0.0433","","","0.1093","0.1228","","","","","","0.998","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216343","14.649","0.002","13.47","0.002","24.399","0.004","90","","106.607","0.003","90","","4613.6","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 N8 Ni O9 -","- C50 H42 N8 Ni O9 -","- C200 H168 N32 Ni4 O36 -","4","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0601","0.0409","","","0.0976","0.1079","","","","","","1","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216344","33.6935","0.0018","11.1225","0.0006","27.5859","0.0014","90","","114.027","0.001","90","","9442.2","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H38 Co2 N8 O8 -","- C58 H38 Co2 N8 O8 -","- C464 H304 Co16 N64 O64 -","8","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0726","0.0441","","","0.1063","0.124","","","","","","1","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216345","7.7686","0.0011","13.6512","0.0007","19.8766","0.0011","99.25","0.003","94.563","0.003","97.512","0.003","2051.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H80 N12 Ni3 O30 -","- C80 H80 N12 Ni3 O30 -","- C80 H80 N12 Ni3 O30 -","1","0.5","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0836","0.0508","","","0.137","0.1621","","","","","","0.998","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216346","15.591","0.003","16.362","0.003","21.032","0.003","90","","120.491","0.005","90","","4623.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Co2 N8 O10 -","- C50 H42 Co2 N8 O10 -","- C200 H168 Co8 N32 O40 -","4","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.151","0.0661","","","0.131","0.1626","","","","","","0.999","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216347","7.9663","0.0009","11.4723","0.0013","14.0805","0.0017","90","","90","","90","","1286.8","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H10 Ag O6 P -","- C14 H10 Ag O6 P -","- C56 H40 Ag4 O24 P4 -","4","0.5","","Wu, Lin-Fei; Wang, Zhao-Xi; Xue, Chao-Chao; Xiao, Hong-Ping; Li, Ming-Xing","Two 2D sliver complexes with a symmetric and noncentrosymmetric architecture controlled by the metal‒ligand ratio","CrystEngComm","2014","16","25","5627","","10.1039/c4ce00008k","","","0.71073","MoKα","","0.0293","0.0277","","","0.0807","0.082","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216348","18.151","0.003","26.476","0.004","5.9595","0.001","90","","90","","90","","2863.9","0.8","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C14 H8 Ag3 O6 P -","- C14 H8 Ag3 O6 P -","- C112 H64 Ag24 O48 P8 -","8","1","","Wu, Lin-Fei; Wang, Zhao-Xi; Xue, Chao-Chao; Xiao, Hong-Ping; Li, Ming-Xing","Two 2D sliver complexes with a symmetric and noncentrosymmetric architecture controlled by the metal‒ligand ratio","CrystEngComm","2014","16","25","5627","","10.1039/c4ce00008k","","","0.71073","MoKα","","0.0195","0.019","","","0.0534","0.0538","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216349","14.904","0.004","14.159","0.003","21.949","0.005","90","","99.879","0.003","90","","4563.1","1.9","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H106 N10 O9 Zn2 -","- C98 H98 N10 O8 Zn2 -","- C196 H196 N20 O16 Zn4 -","2","1","","Shinozaki, Y.; Yoshikawa, I.; Araki, K.; Sugawa, K.; Otsuki, J.","Control of higher-order structures of zinc chlorophyll coordination polymers","CrystEngComm","2014","16","39","9155","","10.1039/C4CE00861H","","","0.71075","MoKα","","0.1002","0.0787","","","0.2032","0.2271","","","","","","1.021","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216350","10.372","0.007","22.684","0.014","18.375","0.011","90","","104.44","0.01","90","","4187","5","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H39 N5 O3 Zn -","- C45 H39 N5 O3 Zn -","- C180 H156 N20 O12 Zn4 -","4","2","","Shinozaki, Y.; Yoshikawa, I.; Araki, K.; Sugawa, K.; Otsuki, J.","Control of higher-order structures of zinc chlorophyll coordination polymers","CrystEngComm","2014","16","39","9155","","10.1039/C4CE00861H","","","0.71075","MoKα","","0.1955","0.1136","","","0.2384","0.299","","","","","","1.046","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216351","11.019","0.002","12.676","0.003","21.167","0.004","90","","98.13","0.03","90","","2926.8","1.1","200","2","200.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 As3 Co N9 O10 -","- C24 H23.858 As3 Co N9 O10 -","- C96 H95.432 As12 Co4 N36 O40 -","4","1","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0298","0.0259","","","0.0681","0.07","","","","","","1.055","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216352","20.454","0.004","7.7512","0.0016","8.4433","0.0017","90","","102.15","0.03","90","","1308.6","0.5","150","2","150.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C8 H11 As Cl Cu N3 O5 -","- C8 H7 As Cl Cu N3 O5 -","- C32 H28 As4 Cl4 Cu4 N12 O20 -","4","0.5","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0601","0.05","","","0.1663","0.1736","","","","","","0.999","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216353","8.5378","0.0017","17.151","0.003","12.69","0.003","90","","96.98","0.03","90","","1844.4","0.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 As2 Mn N6 O6 -","- C16 H14 As2 Mn N6 O6 -","- C64 H56 As8 Mn4 N24 O24 -","4","1","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0296","0.0257","","","0.0598","0.0615","","","","","","1.037","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216354","8.6818","0.0005","17.1961","0.0009","12.8662","0.0007","90","","96.906","0.001","90","","1906.9","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 As2 Cd N6 O6 -","- C16 H14 As2 Cd N6 O6 -","- C64 H56 As8 Cd4 N24 O24 -","4","1","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0221","0.0206","","","0.0513","0.0524","","","","","","1.029","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216355","6.012","0.0009","21.594","0.003","8.9646","0.0009","90","","126.135","0.007","90","","939.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 As N3 O3 -","- C8 H8 As N3 O3 -","- C32 H32 As4 N12 O12 -","4","1","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0601","0.0593","","","0.1344","0.1348","","","","","","1.078","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216356","20.875","0.004","7.6129","0.0015","8.5776","0.0017","90","","101.41","0.03","90","","1336.2","0.5","150","2","150","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C8 H7 As Cl Co N3 O5 -","- C8 H7 As Cl Co N3 O5 -","- C32 H28 As4 Cl4 Co4 N12 O20 -","4","0.5","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0366","0.0365","","","0.1015","0.1016","","","","","","1.075","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216357","8.5117","0.0003","15.9674","0.0005","20.4293","0.0006","90","","97.588","0.002","90","","2752.23","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Zn","","","- C52 H52 Cl6 N4 O8 Zn2 -","- C52 H52 Cl6 N4 O8 Zn2 -","- C104 H104 Cl12 N8 O16 Zn4 -","2","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","","","0.0763","0.0518","","","0.1497","0.1617","","","","","","1.058","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216358","17.5218","0.0008","16.1106","0.0007","20.7074","0.0009","90","","100.232","0.003","90","","5752.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 Cl6 N4 O10 Zn2 -","- C56 H60 Cl6 N4 O10 Zn2 -","- C224 H240 Cl24 N16 O40 Zn8 -","4","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.2352","0.0697","","","0.121","0.1682","","","","","","0.938","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216359","8.4959","0.0001","16.3216","0.0002","20.7112","0.0003","90","","97.903","0.001","90","","2844.68","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H56 Br6 N4 O9 Zn2 -","- C53 H52 Br6 N4 O9 Zn2 -","- C106 H104 Br12 N8 O18 Zn4 -","2","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.2136","0.0703","","","0.1362","0.1776","","","","","","0.966","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216360","17.5924","0.0002","16.3095","0.0002","21.257","0.0002","90","","100.799","0.001","90","","5991.12","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 Br6 N4 O10 Zn2 -","- C56 H60 Br6 N4 O10 Zn2 -","- C224 H240 Br24 N16 O40 Zn8 -","4","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.0992","0.047","","","0.0947","0.1104","","","","","","1.041","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216361","11.1323","0.0002","20.1613","0.0003","28.3599","0.0005","91.835","0.001","100.902","0.001","92.955","0.001","6236.29","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H67.5 Br4 Cd Cl1.5 N4 O12 -","- C58 H64.5 Br4 Cd Cl1.5 N4 O12 -","- C232 H258 Br16 Cd4 Cl6 N16 O48 -","4","2","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.2281","0.0824","","","0.1918","0.2483","","","","","","1.003","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216362","18.905","0.0002","17.3064","0.0001","31.5699","0.0003","90","","90","","90","","10329","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Br4 Cd N4 O10 -","- C48 H56 Br4 Cd N4 O10 -","- C384 H448 Br32 Cd8 N32 O80 -","8","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.097","0.042","","","0.0729","0.0878","","","","","","1.005","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216363","11.3078","0.0004","11.4735","0.0004","15.1493","0.0005","69.17","0.002","77.757","0.002","72.357","0.002","1738.56","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H68 Cd2 I6 N4 O12 -","- C58 H60 Cd2 I6 N4 O12 -","- C58 H60 Cd2 I6 N4 O12 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.0657","0.0373","","","0.0894","0.1","","","","","","1.074","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216364","18.7667","0.0002","18.3528","0.0002","31.9417","0.0004","90","","90","","90","","11001.4","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Cd I4 N4 O10 -","- C48 H56 Cd I4 N4 O10 -","- C384 H448 Cd8 I32 N32 O80 -","8","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1779","0.082","","","0.1412","0.1701","","","","","","1.016","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216365","9.8203","0.0001","11.5983","0.0002","12.8782","0.0002","94.835","0.001","106.333","0.001","103.139","0.001","1353.42","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 Br6 Hg2 N4 O8 -","- C52 H52 Br6 Hg2 N4 O8 -","- C52 H52 Br6 Hg2 N4 O8 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.0275","0.0226","","","0.0479","0.0495","","","","","","1.011","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216366","10.9943","0.0002","15.1689","0.0002","15.5408","0.0003","111.58","0.001","101.951","0.001","104.728","0.001","2196.87","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H80 Br12 Hg4 N8 O11 -","- C77 H76 Br12 Hg4 N8 O11 -","- C77 H76 Br12 Hg4 N8 O11 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1136","0.0476","","","0.0584","0.0692","","","","","","1.066","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216367","10.039","0.001","11.7664","0.0012","13.0968","0.0013","93.757","0.006","106.866","0.006","105.202","0.007","1411.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 Hg2 I6 N4 O8 -","- C52 H52 Hg2 I6 N4 O8 -","- C52 H52 Hg2 I6 N4 O8 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1297","0.084","","","0.252","0.291","","","","","","1.058","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216368","11.3555","0.0002","12.1082","0.0002","14.2423","0.0003","103.372","0.001","97.008","0.001","115.665","0.001","1661.16","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H72 Hg2 I6 N4 O13 -","- C59 H68 Hg2 I6 N4 O13 -","- C59 H68 Hg2 I6 N4 O13 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.034","0.0302","","","0.1145","0.1197","","","","","","1.009","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216369","10.2446","0.0009","16.4684","0.0014","14.9546","0.0013","90","","90","","90","","2523","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cd I4 N4 -","- C20 H16 Cd I4 N4 -","- C80 H64 Cd4 I16 N16 -","4","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1342","0.0418","","","0.0893","0.1345","","","","","","0.555","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216370","28.1847","0.0003","9.0482","0.0001","14.2578","0.0002","90","","98.699","0.001","90","","3594.21","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 I6 N4 O3 Zn2 -","- C23 H25 I6 N4 O3 Zn2 -","- C92 H100 I24 N16 O12 Zn8 -","4","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.0846","0.0678","","","0.1323","0.1411","","","","","","1.069","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216371","13.4688","0.0012","13.4688","0.0012","10.4961","0.0013","90","","90","","120","","1649","0.3","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C78 H78 Cl2 Mn N12 O8 -","- C78 H78 Cl2 Mn N12 O8 -","- C78 H78 Cl2 Mn N12 O8 -","1","0.166667","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0791","0.0478","","","0.0919","0.1039","","","","","","1.025","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216372","12.608","0.002","13.831","0.003","17.334","0.002","90","","119.575","0.009","90","","2628.9","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cu N4 O7 S -","- C26 H32 Cu N4 O7 S -","- C104 H128 Cu4 N16 O28 S4 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0776","0.0515","","","0.1208","0.1366","","","","","","1.028","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216373","9.144","0.004","9.914","0.004","10.981","0.005","113.235","0.006","104.079","0.007","92.301","0.007","876.8","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Co N4 O8 -","- C34 H36 Co N4 O8 -","- C34 H36 Co N4 O8 -","1","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0766","0.0633","","","0.1699","0.1833","","","","","","1.049","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216374","16.62","0.003","9.5294","0.0016","19.384","0.004","90","","104.236","0.005","90","","2975.7","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H16.5 Co0.5 N3.5 O3.5 -","- C14.5 H16.5 Co0.5 N3.5 O3.5 -","- C116 H132 Co4 N28 O28 -","8","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0857","0.0715","","","0.2381","0.2543","","","","","","1.027","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216375","16.651","0.005","9.66","0.003","19.921","0.007","90","","105.878","0.005","90","","3082","1.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 Cd N7 O7 -","- C29 H33 Cd N7 O7 -","- C116 H132 Cd4 N28 O28 -","4","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0441","0.0353","","","0.0737","0.0774","","","","","","1.006","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216376","16.271","0.003","9.664","0.003","19.485","0.005","90","","103.811","0.006","90","","2975.3","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 Cu N7 O7 -","- C29 H33 Cu N7 O7 -","- C116 H132 Cu4 N28 O28 -","4","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0777","0.0512","","","0.123","0.1367","","","","","","1.061","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216377","35.683","0.011","9.557","0.003","17.733","0.006","90","","99.261","0.004","90","","5969","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H90 N2 O14 -","- C66 H90 N2 O14 -","- C264 H360 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Tada, Wataru; Shio, Hidemi; Haino, Takeharu","Guest induced head-to-tail columnar assembly of 5,17-difunctionalized calix[4]arene","CrystEngComm","2014","","","","","10.1039/c4ce00667d","","x-ray","0.71073","MoKα","","0.0548","0.0403","","","0.0937","0.1008","","","","","","1.039","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216378","35.711","0.003","9.0453","0.0007","19.2477","0.0015","90","","109.063","0.001","90","","5876.4","0.8","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H74 N2 O18 -","- C62 H74 N2 O18 -","- C248 H296 N8 O72 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Tada, Wataru; Shio, Hidemi; Haino, Takeharu","Guest induced head-to-tail columnar assembly of 5,17-difunctionalized calix[4]arene","CrystEngComm","2014","","","","","10.1039/c4ce00667d","","x-ray","0.71073","MoKα","","0.0737","0.0577","","","0.149","0.1627","","","","","","1.027","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216379","15.4024","0.0018","18.32","0.002","18.45","0.002","90","","102.842","0.002","90","","5075.9","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H66 N2 O12 -","- C58 H66 N2 O12 -","- C232 H264 N8 O48 -","4","1","","Sekiya, Ryo; Yamasaki, Yutaro; Tada, Wataru; Shio, Hidemi; Haino, Takeharu","Guest induced head-to-tail columnar assembly of 5,17-difunctionalized calix[4]arene","CrystEngComm","2014","","","","","10.1039/c4ce00667d","","x-ray","0.71073","MoKα","","0.1627","0.0744","","","0.1411","0.174","","","","","","1.006","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216380","9.1552","0.0009","15.3084","0.0015","18.3015","0.0018","96.349","0.001","94.785","0.001","92.28","0.001","2537.3","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H64 N4 O10 -","- C58 H64 N4 O10 -","- C116 H128 N8 O20 -","2","1","","Sekiya, Ryo; Yamasaki, Yutaro; Tada, Wataru; Shio, Hidemi; Haino, Takeharu","Guest induced head-to-tail columnar assembly of 5,17-difunctionalized calix[4]arene","CrystEngComm","2014","","","","","10.1039/c4ce00667d","","x-ray","0.71073","MoKα","","0.0806","0.0508","","","0.1219","0.1442","","","","","","1.078","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216381","24.293","0.003","10.7595","0.0013","18.361","0.002","90","","96.247","0.002","90","","4770.7","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H62 N2 O12 -","- C54 H58 N2 O12 -","- C216 H232 N8 O48 -","4","1","","Sekiya, Ryo; Yamasaki, Yutaro; Tada, Wataru; Shio, Hidemi; Haino, Takeharu","Guest induced head-to-tail columnar assembly of 5,17-difunctionalized calix[4]arene","CrystEngComm","2014","","","","","10.1039/c4ce00667d","","x-ray","0.71073","MoKα","","0.0806","0.0627","","","0.1656","0.1808","","","","","","1.027","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216382","12.937","0.008","11.15","0.007","17.445","0.008","90","","126.8","0.03","90","","2015","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Co N6 O10 -","- C42 H46 Co N6 O10 -","- C84 H92 Co2 N12 O20 -","2","0.5","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1122","0.0694","","","0.1086","0.1213","","","","","","1.01","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216383","9.753","0.006","14.101","0.008","14.74","0.008","116.334","0.01","108.889","0.01","90.034","0.01","1693.9","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Co N4 O8 -","- C36 H28 Co N4 O8 -","- C72 H56 Co2 N8 O16 -","2","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1734","0.1153","","","0.237","0.2598","","","","","","1.069","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216384","18.724","0.007","19.302","0.007","20.004","0.008","90","","90","","90","","7230","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H37 N5 O8 Zn -","- C39 H35 N5 O8 Zn -","- C312 H280 N40 O64 Zn8 -","8","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1127","0.0534","","","0.1175","0.1462","","","","","","1.004","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216385","16.982","0.004","10.725","0.002","22.521","0.004","90","","128.552","0.011","90","","3207.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 Cd N5 O8 -","- C31 H33 Cd N5 O8 -","- C124 H132 Cd4 N20 O32 -","4","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.0465","0.0335","","","0.0779","0.0849","","","","","","1.027","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216386","11.473","0.003","11.473","0.003","19.268","0.005","90","","90","","120","","2196.4","1","296","2","296","2","","","","","","","","5","P 32","P 32","145","","","","- C28 H30 Co N4 O9 -","- C28 H24 Co N4 O9 -","- C84 H72 Co3 N12 O27 -","3","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1033","0.0778","","","0.2014","0.2195","","","","","","1.1","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216387","9.779","0.004","13.952","0.006","21.144","0.009","92.178","0.009","96.238","0.009","109.309","0.008","2698","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N8 O15 Zn2 -","- C56 H48 N8 O15 Zn2 -","- C112 H96 N16 O30 Zn4 -","2","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1358","0.0613","","","0.1176","0.1444","","","","","","1.018","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216388","19.088","0.005","4.672","0.003","12.691","0.005","90","","115.56","0.03","90","","1021","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H18 N4 O3 -","- C8 H18 N4 O3 -","- C32 H72 N16 O12 -","4","0.5","","Owczarek, Magdalena; Majerz, Irena; Jakubas, Ryszard","Weak hydrogen and dihydrogen bonds instead of strong N‒H⋯O bonds of a tricyclic [1,2,4,5]-tetrazine derivative. Single-crystal X-ray diffraction, theoretical calculations and Hirshfeld surface analysis","CrystEngComm","2014","16","33","7638","","10.1039/C4CE00571F","","","0.71073","MoKα","","0.0432","0.0372","","","0.1083","0.1116","","","","","","1.068","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216389","9.789","0.005","6.441","0.003","7.862","0.004","90","","112.18","0.05","90","","459","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N4 O2 -","- C8 H16 N4 O2 -","- C16 H32 N8 O4 -","2","0.5","","Owczarek, Magdalena; Majerz, Irena; Jakubas, Ryszard","Weak hydrogen and dihydrogen bonds instead of strong N‒H⋯O bonds of a tricyclic [1,2,4,5]-tetrazine derivative. Single-crystal X-ray diffraction, theoretical calculations and Hirshfeld surface analysis","CrystEngComm","2014","16","33","7638","","10.1039/C4CE00571F","","","0.71073","MoKα","","0.0477","0.0434","","","0.13","0.1331","","","","","","1.132","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216390","11.4423","0.0003","13.6677","0.0004","21.4571","0.0005","90","","107.676","0.001","90","","3197.25","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N4 O9 Zn -","- C36 H28 N4 O9 Zn -","- C144 H112 N16 O36 Zn4 -","4","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0459","0.0419","","","0.1001","0.1026","","","","","","1.136","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216391","7.3644","0.0018","20.505","0.005","18.269","0.004","90","","101.628","0.004","90","","2702.1","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N4 O7 Zn -","- C30 H22 N4 O7 Zn -","- C120 H88 N16 O28 Zn4 -","4","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.061","0.0485","","","0.1296","0.1391","","","","","","1.096","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216392","27.8066","0.0004","10.0464","0.0001","22.2781","0.0003","90","","109.236","0.001","90","","5876.06","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H23 N4 O10 Zn -","- C31 H23 N4 O10 Zn -","- C248 H184 N32 O80 Zn8 -","8","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0429","0.0374","","","0.0927","0.0976","","","","","","1.082","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216393","9.4834","0.0001","10.6376","0.0002","14.9133","0.0002","95.191","0.001","103.417","0.001","96.864","0.001","1441.99","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N4 O7 Zn -","- C34 H24 N4 O7 Zn -","- C68 H48 N8 O14 Zn2 -","2","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0423","0.0374","","","0.0875","0.0907","","","","","","1.075","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216394","13.2139","0.0005","21.7434","0.0008","16.7754","0.0006","90","","127.107","0.002","90","","3843.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cd N4 O7 -","- C34 H24 Cd N4 O7 -","- C136 H96 Cd4 N16 O28 -","4","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0331","0.0301","","","0.0756","0.078","","","","","","1.048","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216395","11.358","0.0002","18.7948","0.0004","13.6608","0.0003","90","","100.438","0.001","90","","2867.93","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cd N4 O7 -","- C34 H24 Cd N4 O7 -","- C136 H96 Cd4 N16 O28 -","4","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0361","0.0295","","","0.0615","0.0664","","","","","","1.137","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216396","10.0055","0.0005","10.2265","0.0005","14.5845","0.0008","90.836","0.003","93.894","0.003","90.72","0.003","1488.56","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Cd N4 O11 -","- C31 H26 Cd N4 O11 -","- C62 H52 Cd2 N8 O22 -","2","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.05","0.0383","","","0.0741","0.0866","","","","","","1.118","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216397","7.4692","0.0008","22.575","0.002","22.4145","0.0014","90","","91.242","0.006","90","","3778.6","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N2 O5 -","- C20 H24 N2 O5 -","- C160 H192 N16 O40 -","8","1","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0899","0.0691","","","0.1648","0.1808","","","","","","1.075","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216398","27.317","0.003","22.2583","0.0014","6.9575","0.0005","90","","90","","90","","4230.4","0.6","150","2","150","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C19 H19 Cl3 Cu N2 O4 -","- C19 H19 Cl3 Cu N2 O4 -","- C152 H152 Cl24 Cu8 N16 O32 -","8","","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0766","0.0596","","","0.1213","0.131","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216399","8.0257","0.0003","19.2831","0.0006","23.3907","0.0007","90","","90","","90","","3620","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Cu N2 O6 -","- C18 H22 Cu N2 O6 -","- C144 H176 Cu8 N16 O48 -","8","1","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0383","0.0346","","","0.0953","0.0989","","","","","","1.029","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216400","11.2596","0.0002","23.9363","0.0004","6.9871","0.0002","90","","103.591","0.002","90","","1830.38","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cu N2 O4 -","- C18 H18 Cu N2 O4 -","- C72 H72 Cu4 N8 O16 -","4","1","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0438","0.0408","","","0.1117","0.1134","","","","","","1.06","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216401","11.1128","0.0005","23.948","0.001","7.13","0.0003","90","","103.599","0.005","90","","1844.31","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 Ni O5 -","- C19 H22 N2 Ni O5 -","- C76 H88 N8 Ni4 O20 -","4","1","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0941","0.0537","","","0.1136","0.1353","","","","","","1.037","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216402","6.7484","0.0001","21.9827","0.0003","16.0526","0.0002","90","","105.172","0.001","90","","2298.37","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cu N2 O8 -","- C22 H26 Cu N2 O8 -","- C88 H104 Cu4 N8 O32 -","4","1","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0656","0.0401","","","0.096","0.1067","","","","","","1.038","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216403","10.1012","0.001","15.8278","0.0016","27.754","0.003","90","","92.249","0.002","90","","4433.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 Co2 N4 O12 -","- C43 H36 Co2 N4 O12 -","- C172 H144 Co8 N16 O48 -","4","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.0923","0.0487","","","0.1181","0.1398","","","","","","0.994","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216404","9.5048","0.0008","26.132","0.002","16.8487","0.0014","90","","99.253","0.002","90","","4130.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 N4 O9 Zn2 -","- C43 H36 N4 O9 Zn2 -","- C172 H144 N16 O36 Zn8 -","4","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1111","0.0539","","","0.1432","0.1747","","","","","","1.004","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216405","25.584","0.007","11.903","0.003","15.203","0.004","90","","120.107","0.004","90","","4005.1","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Co2 N4 O9 -","- C44 H32 Co2 N4 O9 -","- C176 H128 Co8 N16 O36 -","4","0.5","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.0541","0.0429","","","0.1124","0.1222","","","","","","0.871","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216406","14.0828","0.0008","23.9967","0.0012","37.1516","0.0019","90","","90","","90","","12555","1.1","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C63 H75 N11 O12 Zn2 -","- C63 H64 N11 O12 Zn2 -","- C504 H512 N88 O96 Zn16 -","8","","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1154","0.0674","","","0.1779","0.207","","","","","","1.056","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216407","21.096","0.012","10.897","0.006","18.875","0.011","90","","90","","90","","4339","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H19 N2 O4 Zn -","- C22 H15 N2 O4 Zn -","- C176 H120 N16 O32 Zn8 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1534","0.075","","","0.1514","0.1844","","","","","","1.029","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216408","11.6756","0.0013","14.7495","0.0016","16.4661","0.0018","109.353","0.002","101.206","0.002","108.562","0.002","2389.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H48 N6 Ni2 O11 -","- C49 H32 N6 Ni2 O11 -","- C98 H64 N12 Ni4 O22 -","2","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.0905","0.057","","","0.1715","0.1894","","","","","","0.971","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216409","21.1497","0.0019","10.9266","0.0009","18.6978","0.0016","90","","90","","90","","4321","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H19 N2 O4 Zn -","- C22 H15 N2 O4 Zn -","- C176 H120 N16 O32 Zn8 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1164","0.0513","","","0.1206","0.1486","","","","","","1.002","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216410","5.9041","0.0008","5.9041","0.0008","10.499","0.002","90","","90","","90","","365.98","0.1","93","2","93","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Ag3 Ga3 Se8 Si -","- Ag3 Ga3 Se8 Si -","- Ag3 Ga3 Se8 Si -","1","0.0625","","Mei, Dajiang; Gong, Pifu; Lin, Zheshuai; Feng, Kai; Yao, Jiyong; Huang, Fuqiang; Wu, Yicheng","Ag3Ga3SiSe8: a new infrared nonlinear optical material with a chalcopyrite structure","CrystEngComm","2014","16","30","6836","","10.1039/C4CE00817K","","","0.71073","MoKα","","0.0315","0.0273","","","0.0547","0.0558","","","","","","1.134","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216411","23.933","0.003","18.5408","0.0016","22.9605","0.0017","90","","108.96","0.011","90","","9635.7","1.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C62 H102 Mn6 N4 O24 -","- C62 H102 Mn6 N4 O24 -","- C248 H408 Mn24 N16 O96 -","4","1","","Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Kravtsov, Victor C.; Kögerler, Paul; Baca, Svetlana G.","Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped bilayer from [MnIII2MnII4O2(RCOO)10] coordination clusters","CrystEngComm","2014","16","29","6523","","10.1039/c4ce00504j","","","0.71073","MoKα","","0.1807","0.0766","","","0.1664","0.1876","","","","","","1.004","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216412","29.157","0.003","26.193","0.002","13.1814","0.0012","90","","90","","90","","10066.8","1.6","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C39 H61 Mn3 N2 O12 S2 -","- C39 H61 Mn3 N2 O12 S2 -","- C312 H488 Mn24 N16 O96 S16 -","8","1","","Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Kravtsov, Victor C.; Kögerler, Paul; Baca, Svetlana G.","Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped bilayer from [MnIII2MnII4O2(RCOO)10] coordination clusters","CrystEngComm","2014","16","29","6523","","10.1039/c4ce00504j","","","0.71073","MoKα","","0.0696","0.0515","","","0.1535","0.1711","","","","","","1.114","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216413","27.93","0.008","12.816","0.003","48.811","0.014","90","","95.693","0.007","90","","17386","8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H112 Mn6 N4 O26 S4 -","- C64 H94 Mn6 N4 O23 S4 -","- C512 H752 Mn48 N32 O184 S32 -","8","1","","Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Kravtsov, Victor C.; Kögerler, Paul; Baca, Svetlana G.","Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped bilayer from [MnIII2MnII4O2(RCOO)10] coordination clusters","CrystEngComm","2014","16","29","6523","","10.1039/c4ce00504j","","","0.71073","MoKα","","0.1293","0.1059","","","0.2406","0.2507","","","","","","1.138","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216414","50.85","0.016","15.26","0.005","14.006","0.004","90","","90","","90","","10868","6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","MeBTB","1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene + 2*1,1,2,2-tetrachloroethane","","- C37 H34 Cl8 O6 -","- C37 H34 Cl8 O6 -","- C296 H272 Cl64 O48 -","8","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.2673","0.1833","","","0.4279","0.4562","","","","","","1.672","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216415","50.85","0.016","15.26","0.005","14.006","0.004","90","","90","","90","","10868","6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","MeBTB","1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene + 2*1,1,2,2-tetrachloroethane","","- C37 H34 Cl8 O6 -","- C33 H30 O6 -","- C264 H240 O48 -","8","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.1634","0.0817","","","0.1768","0.197","","","","","","1.014","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216416","25.35","0.004","25.35","0.004","18.979","0.004","90","","90","","120","","10562","3","293","2","293","2","","","","","","","","3","P 61","P 61","169","2*1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene+2*Dimethoxyethane+2*H2O","","","- C74 H84 O18 -","- C74 H80 O18 -","- C444 H480 O108 -","6","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.1038","0.0728","","","0.1768","0.1948","","","","","","1.06","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216417","8.6821","0.0008","29.796","0.003","12.8045","0.0012","90","","96.432","0.002","90","","3291.6","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene + 2*dibenzocrown + 1.5K+","","","- C73 H80 K1.5 O20 -","- C73 H75 K1.5 O20 -","- C146 H150 K3 O40 -","2","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.1106","0.071","","","0.138","0.1556","","","","","","1.073","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216418","13.3641","0.0007","13.3641","0.0007","45.517","0.003","90","","90","","120","","7040.2","0.7","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C90 H80 F6 N14 O24 Si -","- C90 H80 F6 N14 O24 Si -","- C270 H240 F18 N42 O72 Si3 -","3","0.166667","","Basu, Arghya; Chutia, Romen; Das, Gopal","Dual modes of binding on the hexafluorosilicate anion by a C3v symmetric flexible tripodal amide ligand in solid state","CrystEngComm","2014","16","22","4886","","10.1039/c4ce00529e","","","0.71073","MoKα","","0.1499","0.0987","","","0.2801","0.314","","","","","","1.057","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216419","13.1197","0.0005","13.1321","0.0006","15.7929","0.0006","108.655","0.002","105.033","0.002","92.632","0.002","2464.94","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H102 F6 N16 O30 Si -","- C96 H102 F6 N16 O30 Si -","- C96 H102 F6 N16 O30 Si -","1","0.5","","Basu, Arghya; Chutia, Romen; Das, Gopal","Dual modes of binding on the hexafluorosilicate anion by a C3v symmetric flexible tripodal amide ligand in solid state","CrystEngComm","2014","16","22","4886","","10.1039/c4ce00529e","","","0.71073","MoKα","","0.1322","0.0608","","","0.1524","0.1831","","","","","","0.83","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216420","20.9184","0.001","10.4771","0.0006","7.8468","0.0004","90","","95.79","0.004","90","","1710.96","0.16","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Furosemide sodium salt trihydrate","","","- C12 H16 Cl N2 Na O8 S -","- C12 H16 Cl N2 Na O8 S -","- C48 H64 Cl4 N8 Na4 O32 S4 -","4","1","","Rao Khandavilli, U. B.; Gangavaram, Swarupa; Rajesh Goud, N.; Cherukuvada, Suryanarayan; Raghavender, S.; Nangia, Ashwini; Manjunatha, Sulur G.; Nambiar, Sudhir; Pal, Sharmistha","High solubility crystalline hydrates of Na and K furosemide salts","CrystEngComm","2014","16","22","4842","","10.1039/c3ce42347f","","","0.71073","MoKα","","0.0922","0.0476","","","0.0808","0.0901","","","","","","0.92","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216421","18.8967","0.001","11.1734","0.0006","7.3056","0.0004","90","","91.346","0.005","90","","1542.08","0.14","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Furosemide potassuium salt monohydrate","","","- C12 H12 Cl K N2 O6 S -","- C12 H12 Cl K N2 O6 S -","- C48 H48 Cl4 K4 N8 O24 S4 -","4","1","","Rao Khandavilli, U. B.; Gangavaram, Swarupa; Rajesh Goud, N.; Cherukuvada, Suryanarayan; Raghavender, S.; Nangia, Ashwini; Manjunatha, Sulur G.; Nambiar, Sudhir; Pal, Sharmistha","High solubility crystalline hydrates of Na and K furosemide salts","CrystEngComm","2014","16","22","4842","","10.1039/c3ce42347f","","","0.71073","MoKα","","0.091","0.0752","","","0.2237","0.2326","","","","","","1.183","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216422","12.579","0.015","24.34","0.02","14.063","0.013","90","","109.3","0.04","90","","4064","7","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H53 N5 O11 -","- C37 H53 N5 O11 -","- C148 H212 N20 O44 -","4","2","","Bera, Santu; Maity, Suman Kumar; Haldar, Debasish","Photoelectrochemical properties of CdSe quantum dots doped disk-like tripeptide capsule","CrystEngComm","2014","16","22","4834","","10.1039/c3ce42582g","","","0.71073","MoKα","","0.0612","0.0565","","","0.1588","0.163","","","","","","1.28","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216423","11.6087","0.0013","21.608","0.003","14.0422","0.0016","90","","105.152","0.002","90","","3399.9","0.7","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H44 N5 O11.5 -","- C29 H44 N5 O11.5 -","- C116 H176 N20 O46 -","4","2","","Bera, Santu; Maity, Suman Kumar; Haldar, Debasish","Photoelectrochemical properties of CdSe quantum dots doped disk-like tripeptide capsule","CrystEngComm","2014","16","22","4834","","10.1039/c3ce42582g","","","0.71073","MoKα","","0.0996","0.0631","","","0.1362","0.1687","","","","","","1.05","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7216424","8.5118","0.0007","22.703","0.002","11.3906","0.0008","90","","105.401","0.007","90","","2122.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Co N4 O4 -","- C24 H22 Co N4 O4 -","- C96 H88 Co4 N16 O16 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0875","0.0535","","","0.0934","0.1061","","","","","","1.034","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216425","13.177","0.008","15.668","0.008","28.949","0.015","90","","90","","90","","5977","6","298","2","298","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C31 H22 Co F6 N4 O5 -","- C31 H22 Co F6 N4 O5 -","- C248 H176 Co8 F48 N32 O40 -","8","0.5","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0868","0.0687","","","0.1361","0.1421","","","","","","1.266","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216426","11.5867","0.0003","12.6968","0.0004","17.5141","0.0005","90","","96.216","0.003","90","","2561.42","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Co N4 O4 -","- C28 H30 Co N4 O4 -","- C112 H120 Co4 N16 O16 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0529","0.0398","","","0.1043","0.1123","","","","","","1.056","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216427","13.1976","0.0009","10.4914","0.0007","20.376","0.0015","90","","108.808","0.008","90","","2670.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Co N4 O5 -","- C28 H34 Co N4 O5 -","- C112 H136 Co4 N16 O20 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0653","0.044","","","0.1027","0.1166","","","","","","1.024","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216428","9.3717","0.0008","10.1843","0.0009","11.7377","0.0011","112.956","0.001","108.358","0.001","90.696","0.001","967.32","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 Co3 N12 O16 -","- C30 H38 Co3 N12 O16 -","- C30 H38 Co3 N12 O16 -","1","0.5","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0385","0.0322","","","0.0767","0.0802","","","","","","1.027","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216429","8.9732","0.0004","20.4712","0.0009","10.4084","0.0005","90","","102.998","0.005","90","","1862.95","0.15","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Co2 N5 O5 -","- C16 H12 Co2 N5 O5 -","- C64 H48 Co8 N20 O20 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0565","0.0448","","","0.1063","0.112","","","","","","1.109","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216430","16.3552","0.0006","16.0035","0.0006","12.1024","0.0005","90","","111.399","0.001","90","","2949.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 Cd2 N4 O9 -","- C30 H27 Cd2 N4 O9 -","- C120 H108 Cd8 N16 O36 -","4","0.5","","Haldar, Ritesh; Bonakala, Satyanarayana; Kanoo, Prakash; Balasubramanian, Sundaram; Maji, Tapas Kumar","Two 3D metal‒organic frameworks of Cd(ii): modulation of structures and porous properties based on linker functionalities","CrystEngComm","2014","16","22","4877","","10.1039/c4ce00190g","","","0.71073","MoKα","","0.0387","0.0295","","","0.0645","0.0682","","","","","","1.026","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216431","6.7119","0.0007","24.876","0.003","14.0647","0.0017","90","","90","","90","","2348.3","0.5","150","2","150","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C18 H10 Cd N5 O9.5 -","- C18 H10 Cd N5 O9.52 -","- C72 H40 Cd4 N20 O38.08 -","4","0.25","","Haldar, Ritesh; Bonakala, Satyanarayana; Kanoo, Prakash; Balasubramanian, Sundaram; Maji, Tapas Kumar","Two 3D metal‒organic frameworks of Cd(ii): modulation of structures and porous properties based on linker functionalities","CrystEngComm","2014","16","22","4877","","10.1039/c4ce00190g","","","0.71073","MoKα","","0.1062","0.0953","","","0.2257","0.241","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216432","16.38","0.002","20.382","0.003","31.993","0.004","90","","97.917","0.002","90","","10579","2","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 Cu2 Mo12 N16 O46.5 P S2 -","- C8 H12 Cu2 Mo12 N16 O44 P S2 -","- C64 H96 Cu16 Mo96 N128 O352 P8 S16 -","8","1","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.0596","0.0479","","","0.1313","0.1381","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216433","14.703","0.002","14.703","0.002","19.139","0.005","90","","90","","90","","4137.4","1.3","150","2","150","2","","","","","","","","9","P 4 n c","P 4 -2n","104","","","","- C26 H40 Cl Cu4 N32 O40 P S8 W12 -","- C26 H40 Cl Cu4 N32 O40 P S8 W12 -","- C52 H80 Cl2 Cu8 N64 O80 P2 S16 W24 -","2","0.25","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.061","0.0373","","","0.0758","0.0863","","","","","","1.003","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216434","24.3102","0.0014","18.5783","0.0011","25.6814","0.0015","90","","90","","90","","11598.8","1.2","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Ag3 Mo12 N24 O41 P S3 -","- C12 H18 Ag3 Mo12 N24 O41 P S3 -","- C96 H144 Ag24 Mo96 N192 O328 P8 S24 -","8","1","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.0647","0.0514","","","0.1105","0.1157","","","","","","1.053","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216435","18.274","0.003","16.737","0.003","26.438","0.003","90","","131.755","0.007","90","","6032.2","1.7","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H32 Ag3 N16 O46 P S4 W12 -","- C13 H20 Ag3 N16 O46 P S4 W12 -","- C52 H80 Ag12 N64 O184 P4 S16 W48 -","4","1","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.0534","0.0312","","","0.0607","0.0689","","","","","","1.022","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216436","12.294","0.0006","21.514","0.0011","19.633","0.001","90","","90","","90","","5192.8","0.5","293","2","293","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C8 H34 Ag4 N12 O55 P V W11 -","- C8 H4 Ag4 N12 O41 P V0.96 W11.04 -","- C32 H16 Ag16 N48 O164 P4 V3.84 W44.16 -","4","0.5","","Wang, Xiu-Li; Cao, Jing-Jing; Liu, Guo-Cheng; Tian, Ai-Xiang; Luan, Jian; Lin, Hong-Yan; Zhang, Ju-Wen; Li, Na","Keggin-based 3D frameworks tuned by silver polymeric motifs: effect of the bi(triazole) substituent group on the architectures","CrystEngComm","2014","16","25","5732","","10.1039/c4ce00147h","","","0.71069","MoKα","","0.0484","0.0398","","","0.1041","0.1082","","","","","","1.057","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216437","12.308","0.0014","21.532","0.003","19.998","0.002","90","","90","","90","","5299.8","1.1","293","2","293","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C8 H61 Ag4 N12 O68 Si V W11 -","- C8 H4 Ag4.49 N12 O43 Si V0.96 W11.04 -","- C32 H16 Ag17.96 N48 O172 Si4 V3.84 W44.16 -","4","0.5","","Wang, Xiu-Li; Cao, Jing-Jing; Liu, Guo-Cheng; Tian, Ai-Xiang; Luan, Jian; Lin, Hong-Yan; Zhang, Ju-Wen; Li, Na","Keggin-based 3D frameworks tuned by silver polymeric motifs: effect of the bi(triazole) substituent group on the architectures","CrystEngComm","2014","16","25","5732","","10.1039/c4ce00147h","","","0.71069","MoKα","","0.089","0.0754","","","0.1888","0.1976","","","","","","1.062","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216438","14.376","0.0007","23.087","0.0008","21.206","0.0011","90","","130.199","0.014","90","","5375.9","1.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Ag4 N12 O44 P V W11 -","- C18 H10 Ag4 N14 O44 P V0.96 W11.04 -","- C72 H40 Ag16 N56 O176 P4 V3.84 W44.16 -","4","1","","Wang, Xiu-Li; Cao, Jing-Jing; Liu, Guo-Cheng; Tian, Ai-Xiang; Luan, Jian; Lin, Hong-Yan; Zhang, Ju-Wen; Li, Na","Keggin-based 3D frameworks tuned by silver polymeric motifs: effect of the bi(triazole) substituent group on the architectures","CrystEngComm","2014","16","25","5732","","10.1039/c4ce00147h","","","0.71069","MoKα","","0.0648","0.0508","","","0.1231","0.1309","","","","","","1.045","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216439","23.7011","0.0007","12.1758","0.0003","14.3519","0.0006","90","","105.526","0.002","90","","3990.5","0.2","173","0.2","173","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12.6 N2 O11.3 Zr -","- C14 H10 N2 O11.259 Zr -","- C112 H80 N16 O90.072 Zr8 -","8","1","","Lee, Nam Hee; Lee, Dong Woo; Yeo, Hakmin; Kwak, Kyungwon; Chun, Hyang Sook; Ok, Kang Min","A molecular porous zirconium‒organic material exhibiting highly selective CO2 adsorption, high thermal stability, reversible hydration, facile ligand exchange and exclusive dimerization of phenylacetylene","CrystEngComm","2014","16","25","5619","","10.1039/c4ce00253a","","","0.71073","MoKα","","0.0696","0.0529","","","0.1534","0.1602","","","","","","1.454","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216440","30.4402","0.0013","11.6778","0.0004","15.9518","0.0006","90","","99.695","0.003","90","","5589.5","0.4","173","0.2","173","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 N5 O11 Zr -","- C23 H27 N5 O11 Zr -","- C184 H216 N40 O88 Zr8 -","8","1","","Lee, Nam Hee; Lee, Dong Woo; Yeo, Hakmin; Kwak, Kyungwon; Chun, Hyang Sook; Ok, Kang Min","A molecular porous zirconium‒organic material exhibiting highly selective CO2 adsorption, high thermal stability, reversible hydration, facile ligand exchange and exclusive dimerization of phenylacetylene","CrystEngComm","2014","16","25","5619","","10.1039/c4ce00253a","","","0.71073","MoKα","","0.1339","0.0419","","","0.0754","0.0948","","","","","","0.724","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216441","9.6801","0.0002","18.9975","0.0003","21.3644","0.0003","90","","90","","90","","3928.86","0.12","173","0.2","173","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N2 O11 Zr -","- C17 H18 N2 O11 Zr -","- C136 H144 N16 O88 Zr8 -","8","1","","Lee, Nam Hee; Lee, Dong Woo; Yeo, Hakmin; Kwak, Kyungwon; Chun, Hyang Sook; Ok, Kang Min","A molecular porous zirconium‒organic material exhibiting highly selective CO2 adsorption, high thermal stability, reversible hydration, facile ligand exchange and exclusive dimerization of phenylacetylene","CrystEngComm","2014","16","25","5619","","10.1039/c4ce00253a","","","0.71073","MoKα","","0.057","0.0317","","","0.0664","0.0733","","","","","","0.913","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216442","12.3032","0.0016","11.0287","0.0015","19.618","0.003","90","","90.411","0.002","90","","2661.9","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cl2 Cu N4 O8 S2 -","- C24 H18 Cl2 Cu N4 O8 S2 -","- C96 H72 Cl8 Cu4 N16 O32 S8 -","4","0.5","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0276","0.0251","","","0.0664","0.0677","","","","","","1.046","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216443","5.4158","0.0006","11.4254","0.0013","12.559","0.0014","114.573","0.002","90.156","0.002","95.928","0.002","702.06","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl2 Co N4 O10 S2 -","- C24 H18 Cl2 Co N4 O10 S2 -","- C24 H18 Cl2 Co N4 O10 S2 -","1","0.5","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0292","0.0272","","","0.0737","0.0749","","","","","","1.026","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216444","5.4158","0.0006","11.4254","0.0013","12.559","0.0014","114.573","0.002","90.156","0.002","95.928","0.002","702.06","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl2 Mn N4 O10 S2 -","- C24 H18 Cl2 Mn N4 O10 S2 -","- C24 H18 Cl2 Mn N4 O10 S2 -","1","0.5","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0367","0.0346","","","0.091","0.0924","","","","","","1.018","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216445","7.4679","0.0007","10.8411","0.001","11.3461","0.0011","77.045","0.002","70.917","0.001","76.493","0.002","833.1","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H13 Ag Cl N3 O4 S -","- C17 H13 Ag Cl N3 O4 S -","- C34 H26 Ag2 Cl2 N6 O8 S2 -","2","1","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0315","0.026","","","0.0594","0.0616","","","","","","1.011","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216446","10.1145","0.0008","10.2684","0.0008","10.8689","0.0009","74.219","0.001","68.085","0.001","64.291","0.001","935.39","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H12 Cd Cl N3 O5 S -","- C17 H12 Cd Cl N3 O5 S -","- C34 H24 Cd2 Cl2 N6 O10 S2 -","2","1","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0251","0.0241","","","0.0673","0.0679","","","","","","1.026","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216447","15.746","0.004","10.962","0.003","22.411","0.005","90","","109.335","0.004","90","","3650.1","1.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cl2 N6 O9 S2 Zn2 -","- C34 H24 Cl2 N6 O9 S2 Zn2 -","- C136 H96 Cl8 N24 O36 S8 Zn8 -","4","0.5","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0415","0.031","","","0.0769","0.0824","","","","","","1.008","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216448","26.6699","0.0005","37.3628","0.0009","54.356","0.001","90","","90","","90","","54163.7","1.9","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C89 H105.2 N5 O42.6 S8 -","- C89 H75 N5 O42.6 S8 -","- C1424 H1200 N80 O681.6 S128 -","16","0.5","","Lesniewska, B.; Perret, F.; Suwinska, K.; Coleman, A. W.","Structural characterization of inclusion complexes of para-sulphonato-calix[8]arene with 1,2-bis(4-pyridyl)-ethane and 1,3-bis(4-pyridyl)-propane. New ‘double cone’ and ‘up‒flat‒down’ conformations of para-sulphonato-calix[8]arene","CrystEngComm","2014","16","21","4399","","10.1039/c3ce42303d","","","0.71073","MoKα","","0.1805","0.1429","","","0.3737","0.3943","","","","","","1.612","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216449","14.6443","0.0004","19.4468","0.0006","26.594","0.001","99.79","0.002","90.699","0.001","107.796","0.004","7089.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H176 N10 O61 S8 -","- C120.75 H124 N10 O61 S8 -","- C241.5 H248 N20 O122 S16 -","2","1","","Lesniewska, B.; Perret, F.; Suwinska, K.; Coleman, A. W.","Structural characterization of inclusion complexes of para-sulphonato-calix[8]arene with 1,2-bis(4-pyridyl)-ethane and 1,3-bis(4-pyridyl)-propane. New ‘double cone’ and ‘up‒flat‒down’ conformations of para-sulphonato-calix[8]arene","CrystEngComm","2014","16","21","4399","","10.1039/c3ce42303d","","","0.71073","MoKα","","0.1756","0.1094","","","0.2716","0.3107","","","","","","0.996","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216450","9.926","0.003","10.992","0.004","7.12","0.002","90","","90","","90","","776.8","0.4","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C3 Gd Na3 O9 -","- C3 Gd Na3 O9 -","- C12 Gd4 Na12 O36 -","4","0.5","","Luo, Min; Lin, Chensheng; Zou, Guohong; Ye, Ning; Cheng, Wendan","Sodium–rare earth carbonates with shorite structure and large second harmonic generation response","CrystEngComm","2014","16","21","4414","","10.1039/c4ce00183d","","","0.71073","MoKα","","0.0167","0.0162","","","0.0435","0.0437","","","","","","1.152","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7216451","9.82","0.014","10.883","0.016","7.038","0.009","90","","90","","90","","752.2","1.8","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C3 Na3 O9 Y -","- C3 Na3 O9 Y -","- C12 Na12 O36 Y4 -","4","0.5","","Luo, Min; Lin, Chensheng; Zou, Guohong; Ye, Ning; Cheng, Wendan","Sodium–rare earth carbonates with shorite structure and large second harmonic generation response","CrystEngComm","2014","16","21","4414","","10.1039/c4ce00183d","","","0.71073","MoKα","","0.0392","0.0326","","","0.0636","0.0665","","","","","","1.08","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7216452","5.7765","0.0006","13.4566","0.0013","19.456","0.002","90","","90","","90","","1512.4","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Cl N3 O -","- C15 H18 Cl N3 O -","- C60 H72 Cl4 N12 O4 -","4","1","","Davey, Roger J.; Sadiq, Ghazala; Seaton, Colin C.; Pritchard, Robin G.; Coquerel, Gerard; Rougeot, Celine","Racemic compound versus conglomerate: concerning the crystal chemistry of the triazoylketone, 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one","CrystEngComm","2014","16","21","4377","","10.1039/c4ce00615a","","x-ray","0.71073","MoKα","","0.0881","0.0557","","","0.0774","0.0901","","","","","","1.007","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216453","10.3388","0.0007","10.3388","0.0007","9.4073","0.0012","90","","90","","90","","1005.55","0.16","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C2 H8 Al Ge3 N O8 -","- C2 H4 Al Ge3 N O8 -","- C8 H16 Al4 Ge12 N4 O32 -","4","0.5","","Wang, Jiahong; Zhang, Yu; Zhang, Zaichao; Xu, Yan","Synthesis and structural characterization of three 3-D aluminogermanates with different topologies","CrystEngComm","2014","16","23","5103","","10.1039/c3ce42585a","","","0.71073","MoKα","","0.0306","0.0288","","","0.1166","0.1179","","","","","","1.057","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216454","10.3404","0.0003","10.3404","0.0003","9.4021","0.0007","90","","90","","90","","1005.31","0.09","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C2 H8 Al Ge3 N O8 -","- C2 H8 Al Ge3 N O8 -","- C8 H32 Al4 Ge12 N4 O32 -","4","0.5","","Wang, Jiahong; Zhang, Yu; Zhang, Zaichao; Xu, Yan","Synthesis and structural characterization of three 3-D aluminogermanates with different topologies","CrystEngComm","2014","16","23","5103","","10.1039/c3ce42585a","","","0.71073","MoKα","","0.0271","0.0253","","","0.0756","0.0765","","","","","","1.125","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216455","16.4699","0.0007","16.4699","0.0007","16.4699","0.0007","90","","90","","90","","4467.6","0.3","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C7 H29 Al3 Ge3 N7 Ni O12 -","- C7 H12 Al3 Ge3 N6.99 Ni O12 -","- C56 H96 Al24 Ge24 N55.92 Ni8 O96 -","8","0.333333","","Wang, Jiahong; Zhang, Yu; Zhang, Zaichao; Xu, Yan","Synthesis and structural characterization of three 3-D aluminogermanates with different topologies","CrystEngComm","2014","16","23","5103","","10.1039/c3ce42585a","","","0.71073","MoKα","","0.05","0.0389","","","0.1193","0.1243","","","","","","1.136","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216456","22.0842","0.0002","22.0842","0.0002","28.0921","0.0006","90","","90","","120","","11865.3","0.3","296","2","296","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H35 K4 La3 N12 O74 Si W12 -","- C30 H15 K3.99 La3 N12 O69.49 Si W12 -","- C180 H90 K23.94 La18 N72 O416.94 Si6 W72 -","6","0.333333","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.0438","0.0327","","","0.0716","0.0763","","","","","","1.011","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216457","22.152","0.0004","22.152","0.0004","28.2012","0.0012","90","","90","","120","","11984.6","0.6","296","2","296","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H33 Ce3 K4 N12 O73 Si W12 -","- C30 H15 Ce3 K3.99 N12 O70.48 Si W12 -","- C180 H90 Ce18 K23.94 N72 O422.88 Si6 W72 -","6","0.333333","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.0269","0.0227","","","0.0513","0.0533","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216458","13.685","0.005","13.144","0.004","22.649","0.007","90","","100.551","0.005","90","","4005","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 La4 N8 O75 Si W12 -","- C20 H8 La4 N8 O73 Si W12 -","- C40 H16 La8 N16 O146 Si2 W24 -","2","0.5","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.1585","0.0838","","","0.1734","0.2035","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216459","13.7014","0.001","13.1554","0.001","22.7273","0.0017","90","","100.366","0.001","90","","4029.7","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Ce4 N8 O75 Si W12 -","- C20 H8 Ce4 N8 O78 Si W12 -","- C40 H16 Ce8 N16 O156 Si2 W24 -","2","0.5","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.0782","0.073","","","0.1487","0.1514","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216460","10.7001","0.0008","11.3758","0.0008","17.0795","0.0012","90","","103.62","0.001","90","","2020.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl3-(4-bromophenyl)-2-cyano-6,6-dimethyl-4-oxo- 2,3,4,5,6,7-hexahydrobenzofuran-2-carboxylate","","- C20 H20 Br N O4 -","- C20 H20 Br N O4 -","- C80 H80 Br4 N4 O16 -","4","1","","Chennapuram, Madhu; Emmadi, Narender Reddy; Bingi, Chiranjeevi; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","Group-assisted purification (GAP) chemistry for dihydrofurans: water as a medium for catalyst free synthesis in a one pot four component reaction","Green Chemistry","2014","16","6","3237","","10.1039/c4gc00388h","","","0.71073","MoKα","","0.0568","0.043","","","0.1097","0.1207","","","","","","1.027","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216461","11.2762","0.0007","13.0441","0.0008","12.5041","0.0007","90","","112.669","0.001","90","","1697.12","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-bromophenyl)-2-cyano-6,6-dimethyl-4-oxo- 2,3,4,5,6,7-hexahydro-1-benzofuran-2-carboxamide","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","Chennapuram, Madhu; Emmadi, Narender Reddy; Bingi, Chiranjeevi; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","Group-assisted purification (GAP) chemistry for dihydrofurans: water as a medium for catalyst free synthesis in a one pot four component reaction","Green Chemistry","2014","16","6","3237","","10.1039/c4gc00388h","","","0.71073","MoKα","","0.04","0.036","","","0.1018","0.1061","","","","","","1.072","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216462","14.9957","0.0012","7.6225","0.0006","11.9828","0.001","90","","91.022","0.003","90","","1369.47","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","LWJ-161C","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C68 H60 N12 O4 -","4","1","","Li, Wenjun; Du, Zhiyun; Huang, Jiayao; Jia, Qianfa; Zhang, Kun; Wang, Jian","Direct access to 1,2,3-triazoles through organocatalytic 1,3-dipolar cycloaddition reaction of allyl ketones with azides","Green Chemistry","2014","16","6","3003","","10.1039/c4gc00406j","","","0.71073","MoKα","","0.0472","0.0381","","","0.0883","0.0941","","","","","","1.032","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216463","16.529","0.002","16.529","0.002","16.604","0.002","90","","90","","90","","4536.3","0.9","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C40 H38 Cl2 N8 O11 S4 Zn -","- C40 H38 Cl2 N8 O11 S4 Zn -","- C160 H152 Cl8 N32 O44 S16 Zn4 -","4","0.5","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71073","MoKα","","0.0511","0.046","","","0.1156","0.1195","","","","","","1.021","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216464","9.694","0.003","11.143","0.004","11.326","0.003","87.71","0.04","76.9","0.03","67.65","0.04","1100.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Mn N10 S6 -","- C42 H32 Mn N10 S6 -","- C42 H32 Mn N10 S6 -","1","0.5","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71073","MoKα","","0.1201","0.0394","","","","0.094","","","","","","0.787","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216465","14.545","0.003","14.834","0.003","12.805","0.004","90","","90","","90","","2762.8","1.2","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C12 H8 N4 O2 S Zn -","- C12 H8 N4 O2 S Zn -","- C96 H64 N32 O16 S8 Zn8 -","8","1","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71069","MoKα","","0.1409","0.029","","","","0.0613","","","","","","0.801","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216466","17.001","0.006","10.288","0.004","16.629","0.006","90","","118.53","0.04","90","","2555.3","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Fe N6 O2 S4 -","- C22 H20 Fe N6 O2 S4 -","- C88 H80 Fe4 N24 O8 S16 -","4","0.5","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71069","MoKα","","0.2429","0.0446","","","","0.1051","","","","","","0.625","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216467","5.5092","0.0017","15.45","0.005","7.287","0.002","90","","90","","90","","620.2","0.3","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba O6 Pb Si2 -","- Ba O6 Pb Si2 -","- Ba4 O24 Pb4 Si8 -","4","0.25","","Dong, Lingyun; Pan, Shilie; Wang, Ying; Yu, Hongwei; Bian, Qiang; Yang, Zhihua; Wu, Hongping; Zhang, Min","BaPbSi2O6·BaSO4: the first mixed anionic compound synthesized via BaSO4 salt-inclusion","CrystEngComm","2014","","","","","10.1039/c4ce00527a","","","0.71073","MoKα","","0.0238","0.0202","","","0.0474","0.0494","","","","","","1.061","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216468","7.252","0.0011","5.4841","0.0008","24.352","0.004","90","","90","","90","","968.5","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba2 O10 Pb S Si2 -","- Ba2 O10 Pb S Si2 -","- Ba8 O40 Pb4 S4 Si8 -","4","0.5","","Dong, Lingyun; Pan, Shilie; Wang, Ying; Yu, Hongwei; Bian, Qiang; Yang, Zhihua; Wu, Hongping; Zhang, Min","BaPbSi2O6·BaSO4: the first mixed anionic compound synthesized via BaSO4 salt-inclusion","CrystEngComm","2014","","","","","10.1039/c4ce00527a","","","0.71073","MoKα","","0.044","0.0297","","","0.0566","0.0608","","","","","","1.029","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216469","6.314","0.01","5.031","0.009","7.334","0.009","90","","90","","90","","233","0.6","295","2","295","2","","","1220000","","","","","3","C m c 21","C 2c -2","36","methyl chloride","chloromethane","","- C H3 Cl -","- C H3 Cl -","- C4 H12 Cl4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0357","0.0302","","","0.0476","0.053","","","","","","1.216","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216470","6.183","0.01","4.904","0.005","7.317","0.017","90","","90","","90","","221.9","0.7","295","2","295","2","","","1690000","","","","","3","C m c 21","C 2c -2","36","methyl chloride","chloromethane","","- C H3 Cl -","- C H3 Cl -","- C4 H12 Cl4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.019","0.014","","","0.0202","0.0216","","","","","","1.283","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216471","6.018","0.005","4.832","0.011","7.035","0.011","90","","90","","90","","204.6","0.6","295","2","295","2","","","2910000","","","","","3","C m c 21","C 2c -2","36","methyl chloride","chloromethane","","- C H3 Cl -","- C H3 Cl -","- C4 H12 Cl4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0136","0.0128","","","0.022","0.0221","","","","","","1.111","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216472","5.967","0.015","4.708","0.004","6.984","0.015","90","","90","","90","","196.2","0.7","295","2","295","2","","","4380000","","","","","3","C m c 21","C 2c -2","36","methyl chloride","chloromethane","","- C H3 Cl -","- C H3 Cl -","- C4 H12 Cl4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0212","0.0208","","","0.0474","0.0476","","","","","","1.278","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216473","4.372","0.005","6.375","0.005","9.196","0.009","90","","90","","90","","256.3","0.4","295","2","295","2","","","1110000","","","","","3","P n m a","-P 2ac 2n","62","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0416","0.0253","","","0.0455","0.0484","","","","","","1.053","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216474","4.331","0.003","6.358","0.005","9.142","0.006","90","","90","","90","","251.7","0.3","295","2","295","2","","","1500000","","","","","3","P n m a","-P 2ac 2n","62","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.02","0.0139","","","0.0234","0.0243","","","","","","1.041","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216475","6.387","0.009","5.163","0.005","7.492","0.005","90","","90","","90","","247.1","0.5","295","2","295","2","","","1550000","","","","","3","C m c 21","C 2c -2","36","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0473","0.039","","","0.0712","0.0756","","","","","","1.171","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216476","6.378","0.01","5.133","0.009","7.413","0.009","90","","90","","90","","242.7","0.6","295","2","295","2","","","1830000","","","","","3","C m c 21","C 2c -2","36","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0363","0.0273","","","0.05","0.0545","","","","","","1.196","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216477","6.236","0.005","5.017","0.006","7.394","0.019","90","","90","","90","","231.3","0.7","295","2","295","2","","","2850000","","","","","3","C m c 21","C 2c -2","36","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0171","0.0145","","","0.0316","0.0325","","","","","","1.123","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216478","25.985","0.005","13.713","0.003","24.798","0.005","90","","112.39","0.03","90","","8170","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cu3 N6 O9 -","- C36 H36 Cu3 N6 O9 -","- C288 H288 Cu24 N48 O72 -","8","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.084","0.0746","","","0.1692","0.1755","","","","","","1.136","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216479","22.533","0.004","23.066","0.005","14.201","0.003","90","","90","","90","","7381","3","293","2","293","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C68 H63 Cu6 N11 O17 -","- C68 H63 Cu6 N11 O17 -","- C272 H252 Cu24 N44 O68 -","4","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.0939","0.0535","","","0.1312","0.1525","","","","","","0.85","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216480","9.6951","0.0019","21.832","0.004","19.246","0.004","90","","97.76","0.03","90","","4036.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 Cu3 N7 O10 -","- C37 H39 Cu3 N7 O10 -","- C148 H156 Cu12 N28 O40 -","4","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.1502","0.072","","","0.1626","0.206","","","","","","0.959","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216481","14.76","0.003","14.694","0.003","18.395","0.004","90","","98.88","0.03","90","","3941.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 Cu3 N7 O7 -","- C41 H33 Cu3 N7 O7 -","- C164 H132 Cu12 N28 O28 -","4","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.0689","0.0421","","","0.1233","0.1422","","","","","","0.922","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216482","41.72","0.003","8.6534","0.0005","28.881","0.002","90","","120.329","0.005","90","","8999.6","1.1","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41.5 H51.5 Cu3 N10.5 O11.5 -","- C41.5 H51.5 Cu3 N10.5 O11.5 -","- C332 H412 Cu24 N84 O92 -","8","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.0852","0.0634","","","0.1486","0.1666","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216483","23.049","0.005","11.765","0.005","22.522","0.005","90","0.005","101.828","0.005","90","0.005","5978","3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Ag5 Mo12 N10 O43 P -","- C32 H24 Ag5 Mo12 N10 O40 P -","- C128 H96 Ag20 Mo48 N40 O160 P4 -","4","0.5","","Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min","Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds","CrystEngComm","2014","16","32","7410","","10.1039/C4CE00633J","","","0.71069","MoKα","","0.0941","0.0448","","","0.082","0.1026","","","","","","1.055","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216484","12.977","0.005","20.255","0.005","21.995","0.005","90","0.005","97.708","0.005","90","0.005","5729","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Ag4 Mo12 N12 Na O42 P -","- C24 H18 Ag4 Mo12 N12 Na O41 P -","- C96 H72 Ag16 Mo48 N48 Na4 O164 P4 -","4","1","","Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min","Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds","CrystEngComm","2014","16","32","7410","","10.1039/C4CE00633J","","","0.71069","MoKα","","0.0389","0.0265","","","0.0517","0.0553","","","","","","1.004","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216485","11.396","0.005","11.792","0.005","13.376","0.005","65.249","0.005","80.299","0.005","61.303","0.005","1430.7","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 Ag4 Mo12 N6 O42 P -","- C30 H24 Ag4 Mo12 N6 O42 P -","- C30 H24 Ag4 Mo12 N6 O42 P -","1","0.5","","Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min","Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds","CrystEngComm","2014","16","32","7410","","10.1039/C4CE00633J","","","0.71069","MoKα","","0.0516","0.0385","","","0.084","0.0901","","","","","","1.083","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216486","22.902","0.005","11.913","0.005","22.594","0.005","90","0.005","101.657","0.005","90","0.005","6037","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Ag5 N10 O43 P W12 -","- C32 H24 Ag5 N10 O40 P W12 -","- C128 H96 Ag20 N40 O160 P4 W48 -","4","0.5","","Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min","Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds","CrystEngComm","2014","16","32","7410","","10.1039/C4CE00633J","","","0.71069","MoKα","","0.0758","0.0548","","","0.1123","0.1207","","","","","","1.093","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216487","10.324","0.003","18.828","0.005","21.852","0.006","69.016","0.006","84.428","0.01","75.039","0.01","3831.4","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(±)-2,7,12-tripropoxy-3,8,13-tris(4-pyridylcarboxy)-10,15- dihydro-5H-tribenzo[a,d,g]cyclononene]silver (I) cobalt(III) bis(dicarbollide) hydrate dimethylformamide","","- C59.5 H86.5 Ag B18 Co N5.5 O12.5 -","- C59.5 H84.5 Ag B18 Co N5.5 O12.5 -","- C119 H169 Ag2 B36 Co2 N11 O25 -","2","1","","Henkelis, James J.; Hardie, Michaele J.","Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation","CrystEngComm","2014","16","35","8138","","10.1039/C4CE00467A","","","0.6889","synchrotron","","0.0885","0.0807","","","0.2334","0.2426","","","","","","1.069","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216488","38.7","0.003","9.6729","0.001","38.853","0.004","90","","111.954","0.004","90","","13490","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","aquodonitro[(±)-2,7,12-tripropoxy-3,8,13-tris(4-pyridylcarboxy)- 10,15-dihydro-5H-tribenzo[a,d,g]cyclononene]cadmium(II) diethylether dimethylformamide clathrate","","- C106 H118 Cd2 N12 O35 -","- C106 H114 Cd2 N12 O35 -","- C424 H456 Cd8 N48 O140 -","4","0.5","","Henkelis, James J.; Hardie, Michaele J.","Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation","CrystEngComm","2014","16","35","8138","","10.1039/C4CE00467A","","","0.71073","MoKα","","0.1749","0.1335","","","0.385","0.4291","","","","","","1.617","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216489","19.3628","0.0007","43.7924","0.0011","16.6371","0.0006","90","","90.525","0.003","90","","14106.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{(±)-2,7,12-tripropoxy-3,8,13- tris(2-quinolylmethyl)-10,15-dihydro-5H-tribenzo[a,d,g] cyclononene}silver(I) cobalt(III) bis(dicarbollide) nitromethane","","- C129.5 H163.5 Ag2 B36 Co2 N7.5 O15 -","- C129.5 H163.5 Ag2 B36 Co2 N7.5 O15 -","- C518 H654 Ag8 B144 Co8 N30 O60 -","4","1","","Henkelis, James J.; Hardie, Michaele J.","Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation","CrystEngComm","2014","16","35","8138","","10.1039/C4CE00467A","","","0.6889","synchrotron","","0.135","0.1128","","","0.3054","0.3462","","","","","","1.377","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216490","21.057","0.005","44.917","0.009","40.687","0.008","90","","97.365","0.006","90","","38165","14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[dodeca(trifluoroacetate)tetra{(±)-2,7,12-tripropoxy-3,8,13- tris(2-quinolylmethyl)-10,15-dihydro-5H-tribenzo[a,d,g] cyclononene}hexaplatinum(II) ether","","- C268 H234 F36 N12 O49 Pd6 -","- C268 H234 F36 N12 O49 Pd6 -","- C1072 H936 F144 N48 O196 Pd24 -","4","0.5","","Henkelis, James J.; Hardie, Michaele J.","Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation","CrystEngComm","2014","16","35","8138","","10.1039/C4CE00467A","","","0.71073","MoKα","","0.1251","0.0914","","","0.2444","0.2572","","","","","","1.546","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216491","13.745","0.0008","24.8293","0.0014","7.2076","0.0004","90","","95.191","0.001","90","","2449.7","0.2","95","2","95","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-Iodo-3,5-bis(4',4',5',5'-tetramethyl-4',5'-dihydro- 1'H-imidazole-1'-oxyl)benzene - co - dichloromethane","","- C21 H29.72 Cl2 I N4 O2.36 -","- C21 H29 Cl2 I N4 O2.36 -","- C84 H116 Cl8 I4 N16 O9.44 -","4","0.5","","Akpinar, Handan; Schlueter, John A.; Lahti, Paul M.","Organizing a bis(iminoylnitroxide) diradical into antiferromagnetically coupled chains by co-crystallization with dichloromethane","CrystEngComm","2014","16","26","5832","","10.1039/c4ce00207e","","x-ray","0.3936","synchrotron","","0.046","0.0404","","","0.1157","0.1192","","","","","","1.161","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216492","14.8642","0.0011","18.5544","0.0015","4.7094","0.0004","90","","90","","90","","1298.84","0.18","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","none","4-aminobenzoic acid + 2-acetaminopyridine","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C56 H60 N12 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0422","0.0329","","","0.0742","0.0788","","","","","","1.036","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216493","12.776","0.003","5.1844","0.001","19.547","0.004","90","","103.08","0.03","90","","1261.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","benzoic acid + 2-acetaminopyridine","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0783","0.0401","","","0.0935","0.1076","","","","","","0.974","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216494","8.4349","0.0017","23.547","0.005","7.127","0.0014","90","","90.22","0.03","90","","1415.5","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","4-aminobenzoic acid + 2-acetamido-6-methylpyridine","","- C15 H17 N3 O3 -","- C15 H17 N3 O3 -","- C60 H68 N12 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.1665","0.0583","","","0.1218","0.1566","","","","","","0.989","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216495","9.0318","0.0007","10.8602","0.0009","23.561","0.0019","90","","97.95","0.002","90","","2288.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","2(4-methoxybenzoic acid) + 4,4-bipyridine","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C104 H96 N8 O24 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0598","0.0398","","","0.1011","0.1133","","","","","","1.029","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216496","7.3345","0.0015","9.1868","0.0018","21.307","0.004","90","","93.3","0.03","90","","1433.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","4-aminobenzoic acid + 6-aminoquinoline","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.042","0.0363","","","0.0987","0.1032","","","","","","1.065","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216497","3.7592","0.0013","27.082","0.009","6.551","0.002","90","","90.735","0.008","90","","666.9","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","none","4-nitrobenzoic acid + quinoline","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C32 H24 N4 O8 -","2","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0837","0.047","","","0.0901","0.1029","","","","","","0.99","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216498","11.5","0.002","15.191","0.003","12.228","0.002","90","","90","","90","","2136.2","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","none","benzoic acid + 2-aminopyridine","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.1054","0.0443","","","0.0929","0.11","","","","","","0.95","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216499","9.6861","0.0007","10.3327","0.0007","12.0022","0.0008","90","","97.765","0.002","90","","1190.21","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","4-bromobenzoic acid + 2-aminopyridine","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C48 H44 Br4 N8 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0254","0.0208","","","0.0515","0.0533","","","","","","1.043","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216500","5.5541","0.0011","8.5531","0.0017","25.38","0.005","90","","90","","90","","1205.7","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","none","4-aminobenzoic acid + 2-amino-4-methylpyridine","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0802","0.0389","","","0.0711","0.0795","","","","","","0.94","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216501","9.4403","0.0019","11.509","0.002","12.69","0.003","90","","110.77","0.03","90","","1289.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","4-methoxybenzoic acid + 2-amino-6-methylpyridine","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0863","0.0423","","","0.0863","0.0972","","","","","","0.958","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216502","10.337","0.002","11.727","0.002","11.031","0.002","90","","105.53","0.03","90","","1288.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","4-methoxybenzoic acid + 2-amino-4-methylpyridine","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.104","0.0462","","","0.1029","0.1209","","","","","","0.938","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216503","11.888","0.002","12.313","0.003","16.815","0.003","90","","90","","90","","2461.3","0.9","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","none","benzoic acid + 2-amino-6-methylpyridine","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","2","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.1051","0.0525","","","0.1079","0.1297","","","","","","1.019","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216504","17.1239","0.0016","4.1317","0.0004","22.882","0.002","90","","111.762","0.002","90","","1503.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","4-bromobenzoic acid + 2-amino-6-methylpyridine + 2(water)","","- C13 H17 Br N2 O4 -","- C13 H15 Br N2 O4 -","- C52 H60 Br4 N8 O16 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0455","0.0303","","","0.0751","0.082","","","","","","1","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216505","9.5786","0.0019","11.539","0.002","11.311","0.002","90","","100.45","0.03","90","","1229.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","4-bromobenzoic acid + 2-amino-4-methylpyridine","","- C13 H13 Br N2 O2 -","- C13 H13 Br N2 O2 -","- C52 H52 Br4 N8 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0387","0.0242","","","0.0526","0.0557","","","","","","1.048","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216506","11.478","0.002","15.142","0.003","19.266","0.004","90","","101.27","0.03","90","","3283.9","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline. 2,2-bis(4-hydroxyphenyl)propane cocrystal","","- C40 H36 N2 O3 -","- C40 H36 N2 O3 -","- C160 H144 N8 O12 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.158","0.0659","","","0.1466","0.1906","","","","","","1.003","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216507","13.383","0.003","9.766","0.002","18.67","0.004","90","","100.97","0.03","90","","2395.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline.chloroform solvate","","- C26 H21 Cl3 N2 O -","- C26 H21 Cl3 N2 O -","- C104 H84 Cl12 N8 O4 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.182","0.0741","","","0.133","0.1697","","","","","","1.006","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216508","10.258","0.002","12.272","0.003","16.034","0.003","90","","105.53","0.03","90","","1944.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline monohydrate","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.1601","0.0685","","","0.1252","0.1519","","","","","","1.002","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216509","22.826","0.005","10.082","0.002","10.677","0.002","90","","90","","90","","2457.1","0.9","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline.phenol cocrystal","","- C31 H26 N2 O2 -","- C31 H26 N2 O2 -","- C124 H104 N8 O8 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.1722","0.0731","","","0.1024","0.1278","","","","","","1","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216510","6.9931","0.0014","10.127","0.002","15.112","0.003","95.46","0.03","96.7","0.03","101.17","0.03","1035.1","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 F3 N5 O4 -","- C21 H18 F3 N5 O4 -","- C42 H36 F6 N10 O8 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Cocrystallization with flufenamic acid: comparison of physicochemical properties of two pharmaceutical cocrystals","CrystEngComm","2014","16","26","5793","","10.1039/c3ce42182a","","","0.71073","MoKα","","0.0705","0.0628","","","0.2017","0.232","","","","","","1.188","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216511","7.5628","0.0015","7.645","0.0015","14.552","0.003","90.45","0.03","92.14","0.03","95.81","0.03","836.4","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 F3 N2 O3 -","- C19 H15 F3 N2 O3 -","- C38 H30 F6 N4 O6 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Cocrystallization with flufenamic acid: comparison of physicochemical properties of two pharmaceutical cocrystals","CrystEngComm","2014","16","26","5793","","10.1039/c3ce42182a","","","0.71073","MoKα","","0.0979","0.0789","","","0.1889","0.2023","","","","","","1.184","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216512","9.827","0.002","10.361","0.002","25.005","0.005","84.67","0.03","81.34","0.03","71.46","0.03","2383.5","0.9","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 F6 N4 O4 -","- C38 H28 F6 N4 O4 -","- C114 H84 F18 N12 O12 -","3","1.5","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Cocrystallization with flufenamic acid: comparison of physicochemical properties of two pharmaceutical cocrystals","CrystEngComm","2014","16","26","5793","","10.1039/c3ce42182a","","","0.71073","MoKα","","0.2316","0.1985","","","0.473","0.4988","","","","","","1.572","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216513","9.9973","0.0013","22.788","0.003","10.4078","0.0014","90","","91.243","0.001","90","","2370.5","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C88 H128 Cl8 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0649","0.0385","","0.0872","0.0732","0.0872","","","","","","1.0075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216514","10.0093","0.0003","22.8207","0.0008","10.4016","0.0004","90","","91.416","0.002","90","","2375.2","0.14","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C88 H128 Cl8 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0625","0.0376","","0.1","0.0806","0.1","","","","","","1.099","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216515","10.0604","0.0018","22.876","0.004","10.4041","0.0019","90","","91.741","0.002","90","","2393.3","0.7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C88 H128 Cl8 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.084","0.0384","","0.0769","0.0717","0.0769","","","","","","0.7821","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216516","7.116","0.0012","22.916","0.004","7.3818","0.0013","90","","91.415","0.002","90","","1203.4","0.4","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0639","0.0386","","0.0989","0.0951","0.0989","","","","","","0.9037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216517","7.1234","0.0014","22.966","0.004","7.3986","0.0014","90","","91.146","0.002","90","","1210.1","0.4","210","","210","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0677","0.0407","","0.1072","0.0909","0.1072","","","","","","0.9846","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216518","7.1264","0.0014","22.986","0.005","7.4072","0.0014","90","","90.974","0.002","90","","1213.2","0.4","230","","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0714","0.0413","","0.115","0.0939","0.115","","","","","","0.9794","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216519","7.1314","0.0014","23.013","0.005","7.418","0.0015","90","","90.803","0.002","90","","1217.3","0.4","250","","250","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0771","0.0381","","0.09","0.0857","0.09","","","","","","0.8468","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216520","7.1365","0.0014","23.041","0.005","7.4304","0.0015","90","","90.628","0.002","90","","1221.7","0.4","275","","275","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0836","0.0391","","0.0892","0.0841","0.0892","","","","","","0.8112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216521","7.1345","0.0007","23.048","0.003","7.433","0.0008","90","","90.449","0.006","90","","1222.2","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.081","0.0456","","0.1403","0.1109","0.1403","","","","","","1.0185","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216522","5.7804","0.0004","19.7971","0.0014","10.5967","0.0006","90","","100.841","0.003","90","","1190.99","0.14","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrobromide","","- C11 H16 Br N O -","- C11 H16 Br N O -","- C44 H64 Br4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0333","0.0264","","0.0706","0.0668","0.0706","","","","","","0.9801","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216523","10.8355","0.0019","10.203","0.0017","11.5425","0.0019","90","","111.839","0.008","90","","1184.5","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrobromide","","- C11 H16 Br N O -","- C11 H16 Br N O -","- C44 H64 Br4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0257","0.02","","0.0476","0.0446","0.0476","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216524","10.2017","0.0006","22.3376","0.0013","10.5639","0.0006","90","","90.157","0.003","90","","2407.3","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","30:70 (±)-4'-methylmethcathinone hydrochloride hydrobromide salt solution","","- C11 H16 Br0.72 Cl0.28 N O -","- C11 H16 Br0.7185 Cl0.2815 N O -","- C88 H128 Br5.748 Cl2.252 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0399","0.0286","","0.0701","0.0628","0.0701","","","","","","1.0075","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216525","10.1409","0.0011","22.488","0.003","10.4979","0.0011","90","","90.359","0.008","90","","2394","0.5","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","60:40 (±)-4'-methylmethcathinone hydrochloride hydrobromide salt solution","","- C11 H16 Br0.4 Cl0.6 N O -","- C11 H16 Br0.4035 Cl0.5965 N O -","- C88 H128 Br3.228 Cl4.772 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.1608","0.1186","","0.4127","0.3897","0.4127","","","","","","1.5578","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216526","10.1012","0.0005","22.5506","0.0012","10.4737","0.0005","90","","90.441","0.003","90","","2385.7","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","70:30 (±)-4'-methylmethcathinone hydrochloride hydrobromide salt solution","","- C11 H16 Br0.3 Cl0.7 N O -","- C11 H16 Br0.3025 Cl0.6975 N O -","- C88 H128 Br2.42 Cl5.58 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0374","0.0321","","0.0753","0.0698","0.0753","","","","","","1.0369","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216527","27.4599","0.0012","5.6654","0.0002","11.4275","0.0005","90","","92.25","0.002","90","","1776.42","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F N2 O3 -","- C21 H20 F N2 O3 -","- C84 H80 F4 N8 O12 -","4","1","","Blagden, N.; Coles, S. J.; Berry, D. J.","Pharmaceutical co-crystals ‒ are we there yet?","CrystEngComm","2014","16","26","5753","","10.1039/c4ce00127c","","","0.71073","MoKα","","0.1033","0.0543","","","0.1219","0.1448","","","","","","1.04","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216528","7.624","0.006","5.8","0.004","36.02","0.03","90","","90.017","0.008","90","","1593","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N O3 -","- C19 H18 N O3 -","- C76 H72 N4 O12 -","4","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.127","0.0965","","","0.1846","0.198","","","","","","1.189","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216529","7.966","0.004","6.012","0.003","28.985","0.015","90","","91.739","0.007","90","","1387.5","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RS-Naproxen-Piperidine","","","- C16 H18 N O3 -","- C16 H18 N O3 -","- C64 H72 N4 O12 -","4","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.1671","0.0928","","","0.1627","0.1936","","","","","","1.101","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216530","15.206","0.006","5.766","0.002","19.37","0.008","90","","111.189","0.005","90","","1583.5","1.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H36 N2 O6 -","- C38 H36 N2 O6 -","- C76 H72 N4 O12 -","2","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.1402","0.0753","","","0.1128","0.1353","","","","","","1.008","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216531","8.029","0.004","6.118","0.003","28.045","0.014","90","","93.99","0.007","90","","1374.3","1.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","S-Naproxen-Piperidine","","","- C32 H36 N2 O6 -","- C32 H36 N2 O6 -","- C64 H72 N4 O12 -","2","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.1382","0.0799","","","0.136","0.167","","","","","","1.021","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216532","6.0536","0.0007","10.5285","0.0016","24.444","0.003","90","","90","","90","","1557.9","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 I N3 O6 -","- C13 H10 I N3 O6 -","- C52 H40 I4 N12 O24 -","4","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.0249","0.0211","","","0.0449","0.0505","","","","","","1.154","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216533","9.947","0.007","12.823","0.009","13.02","0.01","94.249","0.016","91.739","0.016","90.493","0.019","1655","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 I2 N6 O13 -","- C27 H17 I2 N6 O13 -","- C54 H34 I4 N12 O26 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.1317","0.0791","","","0.1856","0.2125","","","","","","1.075","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216534","7.3806","0.0015","9.3433","0.0018","11.754","0.002","80.602","0.005","71.795","0.005","79.46","0.005","752.1","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 I N3 O7 -","- C13 H10 I N3 O7 -","- C26 H20 I2 N6 O14 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.0211","0.0191","","","0.0462","0.0474","","","","","","1.087","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216535","9.0879","0.0011","9.9637","0.0012","10.5749","0.0012","94.099","0.004","103.81","0.004","92.568","0.004","925.6","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 I3 N7 O14 -","- C32 H26 I3 N7 O14 -","- C32 H26 I3 N7 O14 -","1","0.5","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.0657","0.0392","","","0.0788","0.111","","","","","","1.193","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216536","10.756","0.009","5.79","0.004","13.363","0.009","90","","107.859","0.008","90","","792.1","1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 I N3 O6 -","- C14 H12 I N3 O6 -","- C28 H24 I2 N6 O12 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71073","MoKα","","0.0133","0.0131","","","0.0332","0.0332","","","","","","1.088","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216537","8.534","0.002","8.769","0.002","11.882","0.008","111.035","0.008","101.327","0.007","95.273","0.007","800.9","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 I N3 O6 -","- C14 H12 I N3 O6 -","- C28 H24 I2 N6 O12 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71073","MoKα","","0.019","0.018","","","0.0471","0.0475","","","","","","1.132","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216538","14.0063","0.0003","16.8616","0.0004","7.8007","0.0005","90","","105.402","0.001","90","","1776.12","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MMP","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine","","- C18 H17 N3 O3 S -","- C18 H17 N3 O3 S -","- C72 H68 N12 O12 S4 -","4","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0585","0.0388","","","0.0913","0.1012","","","","","","1.012","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216539","10.4542","0.0007","10.7365","0.0007","19.2796","0.0012","92.407","0.001","96.173","0.002","105.247","0.001","2070.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine. hexanedioic acid","","- C42 H44 N6 O10 S2 -","- C42 H44 N6 O10 S2 -","- C84 H88 N12 O20 S4 -","2","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0918","0.05","","","0.1131","0.1332","","","","","","0.98","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216540","5.411","0.002","11.572","0.005","18.486","0.008","87.456","0.008","89.447","0.007","84.076","0.008","1150.2","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine.(E)-butenedioate methanolate","","- C23 H25 N3 O8 S -","- C23 H25 N3 O8 S -","- C46 H50 N6 O16 S2 -","2","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.1245","0.1079","","","0.259","0.2707","","","","","","1.029","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216541","18.581","0.002","5.1754","0.0007","23.326","0.003","90","","106.774","0.002","90","","2147.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","007 oxalic acid hydrate salt","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine.ethanedioate tetrahydrate","","- C19 H26 N3 O9 S -","- C19 H26 N3 O9 S -","- C76 H104 N12 O36 S4 -","4","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0653","0.0434","","","0.1078","0.1187","","","","","","1.055","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216542","13.4221","0.0006","16.746","0.0008","25.6251","0.0012","90","","99.444","0.001","90","","5681.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine. 2H-1lamda6,2-benzothiazol-1,1,3-trione salt hydrate","","- C25 H26.97 N4 O8.48 S2 -","- C25 H22 N4 O8.48 S2 -","- C200 H176 N32 O67.84 S16 -","8","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0625","0.0514","","","0.1365","0.144","","","","","","1.062","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216543","13.232","0.0008","11.6031","0.0007","16.5449","0.001","90","","110.977","0.001","90","","2371.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine. 2-hydroxybenzoate salt hydrate","","- C25 H25 N3 O7 S -","- C25 H23 N3 O7 S -","- C100 H92 N12 O28 S4 -","4","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.062","0.0488","","","0.1333","0.1464","","","","","","1.036","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216544","5.4192","0.0007","12.1987","0.0015","19.705","0.003","75.627","0.002","88.814","0.002","89.651","0.002","1261.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine. octanedioate salt","","- C26 H31 N3 O7 S -","- C26 H31 N3 O7 S -","- C52 H62 N6 O14 S2 -","2","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0696","0.0409","","","0.0887","0.0962","","","","","","0.905","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216545","9.5289","0.0003","9.1191","0.0003","8.667","0.0002","90","","90","","90","","753.12","0.04","110","2","110","2","","","","","","","","4","P m n 21","P 2ac -2","31","melamine barbital addition compound","","","- C11 H18 N8 O3 -","- C11 H18 N8 O3 -","- C22 H36 N16 O6 -","2","0.5","","Gryl, M.; Seidler, T.; Stadnicka, K.; Matulková, I.; Němec, I.; Tesařová, N.; Němec, P.","The crystal structure and optical properties of a pharmaceutical co-crystal ‒ the case of the melamine‒barbital addition compound","CrystEngComm","2014","16","26","5765","","10.1039/c4ce00178h","","","0.71073","MoKα","","0.0887","0.0453","","","0.09","0.0986","","","","","","0.892","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216546","26.292","0.002","5.2948","0.0004","34.158","0.003","90","","90.598","0.004","90","","4754.9","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","alpha lipoicacid nicotinamide co-crystal","","","- C14 H20 N2 O3 S2 -","- C14 H20 N2 O3 S2 -","- C168 H240 N24 O36 S24 -","12","3","","Zhao, Lihua; Raval, Vishal; Briggs, Naomi E. B.; Bhardwaj, Rajni M.; McGlone, Thomas; Oswald, Iain D. H.; Florence, Alastair J.","From discovery to scale-up: α-lipoic acid : nicotinamide co-crystals in a continuous oscillatory baffled crystalliser","CrystEngComm","2014","16","26","5769","","10.1039/c4ce00154k","","","0.71073","MoKα","","0.1089","0.0733","","","0.1832","0.2147","","","","","","1.046","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216547","7.482","0.0001","22.751","0.0003","36.294","0.0005","90","","90","","90","","6178.07","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl O3 -","- C22 H31 Cl O3 -","- C264 H372 Cl12 O36 -","12","3","","Ruiz, Alberto; Pérez, Hiram; Morera-Boado, Cercis; Almagro, Luis; da Silva, Cecilia C. P.; Ellena, Javier; García de la Vega, José M.; Martínez-Álvarez, Roberto; Suárez, Margarita; Martín, Nazario","Unusual hydrogen bond patterns contributing to supramolecular assembly: conformational study, Hirshfeld surface analysis and density functional calculations of a new steroid derivative","CrystEngComm","2014","16","33","7802","","10.1039/C4CE00709C","","","0.71073","MoKα","","0.0669","0.0484","","","","0.12","","","","","","1.027","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216548","7.1671","0.0016","14.704","0.003","11.157","0.003","90","","96.747","0.003","90","","1167.6","0.5","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","AsC5H12NO8U","","- C5 H11 As N O8 U -","- C5 H11 As N O8 U -","- C20 H44 As4 N4 O32 U4 -","4","1","","Smith, P. A.; Burns, P. C.","Ionothermal effects on low-dimensionality uranyl compounds using task specific ionic liquids","CrystEngComm","2014","16","31","7244","","10.1039/C4CE00512K","","","0.71073","MoKα","","0.0194","0.0166","","","0.037","0.0381","","","","","","1.08","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216549","12.3917","0.0015","36.745","0.004","10.2457","0.0012","90","","112.19","0.0013","90","","4319.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","C38H40N2O15S4U","","- C38 H40 N2 O15 S4 U -","- C38 H40 N2 O15 S4 U -","- C152 H160 N8 O60 S16 U4 -","4","1","","Smith, P. A.; Burns, P. C.","Ionothermal effects on low-dimensionality uranyl compounds using task specific ionic liquids","CrystEngComm","2014","16","31","7244","","10.1039/C4CE00512K","","","0.71073","MoKα","","0.0496","0.0328","","","0.0677","0.0734","","","","","","1.023","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216550","28.2107","0.0014","23.9375","0.0012","26.1899","0.0013","90","","90","","90","","17685.9","1.5","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- Cu17 H290 Mo46 N19 Na O317 V18 -","- Cu17 Mo46 Na O310 V18 -","- Cu34 Mo92 Na2 O620 V36 -","2","0.25","","Gao, Qiao; Li, Fengyan; Sun, Minghui; Xu, Lin; Wang, Yuchao; Bai, Jie","Multidimensional all-inorganic frameworks based on new molybdovanadate cluster of [VMo7O28]9−with Cu(ii) linker showing semiconducting behavior","CrystEngComm","2014","16","33","7681","","10.1039/C4CE00831F","","","0.71073","MoKα","","0.1028","0.0657","","","0.1454","0.1569","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216551","14.7333","0.0003","17.2359","0.0006","18.2871","0.0004","96.789","0.002","98.188","0.002","93.537","0.002","4549.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu8 H152 Mo30 N20 O169 V10 -","- Cu8 Mo30 N18 O160 V10 -","- Cu8 Mo30 N18 O160 V10 -","1","0.5","","Gao, Qiao; Li, Fengyan; Sun, Minghui; Xu, Lin; Wang, Yuchao; Bai, Jie","Multidimensional all-inorganic frameworks based on new molybdovanadate cluster of [VMo7O28]9−with Cu(ii) linker showing semiconducting behavior","CrystEngComm","2014","16","33","7681","","10.1039/C4CE00831F","","","0.71073","MoKα","","0.0636","0.0453","","","0.1245","0.135","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216552","53.884","0.005","13.9563","0.0011","26.848","0.002","90","","104.181","0.002","90","","19575","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Cu11 H144 Mo30 N10 Na O181 V9 -","- Cu11 Mo30 N7 Na O177 V9 -","- Cu44 Mo120 N28 Na4 O708 V36 -","4","0.5","","Gao, Qiao; Li, Fengyan; Sun, Minghui; Xu, Lin; Wang, Yuchao; Bai, Jie","Multidimensional all-inorganic frameworks based on new molybdovanadate cluster of [VMo7O28]9−with Cu(ii) linker showing semiconducting behavior","CrystEngComm","2014","16","33","7681","","10.1039/C4CE00831F","","","0.71073","MoKα","","0.1068","0.0663","","","0.1907","0.215","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216553","6.557","0.0003","6.9924","0.0004","19.2094","0.001","90","","90.285","0.004","90","","880.72","0.08","293.21","0.1","293.21","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B6 Cd2 O12 Pb -","- B6 Cd2 O12 Pb -","- B24 Cd8 O48 Pb4 -","4","1","","Hao, Yu-Cheng; Xu, Xiang; Kong, Fang; Song, Jun-Ling; Mao, Jiang-Gao","PbCd2B6O12and EuZnB5O10: syntheses, crystal structures and characterizations of two new mixed metal borates","CrystEngComm","2014","16","33","7689","","10.1039/C4CE00777H","","","0.71073","MoKα","","0.0301","0.0258","","","0.0483","0.0504","","","","","","1.006","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216554","8.6173","0.0005","7.5994","0.0004","9.4036","0.0005","90","","93.358","0.005","90","","614.75","0.06","293","2","293","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Eu O10 Zn -","- B5 Eu O10 Zn -","- B20 Eu4 O40 Zn4 -","4","1","","Hao, Yu-Cheng; Xu, Xiang; Kong, Fang; Song, Jun-Ling; Mao, Jiang-Gao","PbCd2B6O12and EuZnB5O10: syntheses, crystal structures and characterizations of two new mixed metal borates","CrystEngComm","2014","16","33","7689","","10.1039/C4CE00777H","","","0.71073","MoKα","","0.0268","0.0221","","","0.0487","0.0511","","","","","","1.072","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216555","12.947","0.005","15.169","0.005","15.922","0.005","67.605","0.005","82.355","0.005","65.089","0.005","2620.7","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H132 Ag20 N2 O23 S10 -","- C63 H132 Ag20 N2 O23 S10 -","- C63 H132 Ag20 N2 O23 S10 -","1","0.5","","Zhou, Kun; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Yan, Li-Kai; Su, Zhong-Min","Unexpected 1D self-assembly of carbonate-templated sandwich-like macrocycle-based Ag20S10luminescent nanoclusters","CrystEngComm","2014","16","34","7860","","10.1039/C4CE00867G","","","0.71069","MoKα","","0.1109","0.0614","","","0.1519","0.1765","","","","","","0.988","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216556","9.9795","0.0008","10.1903","0.0008","11.6966","0.0009","91.086","0.005","101.528","0.005","118.691","0.004","1013.21","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B2 K7 O19 P5 -","- B2 K6.995 O19 P5 -","- B4 K13.99 O38 P10 -","2","1","","Wang, Ying; Pan, Shilie; Han, Shujuan; Zhang, Bingbing; Dong, Lingyun; Zhang, Min; Yang, Zhihua","K7B2P5O19: a novel alkali metal borophosphate with zero dimensional [B2P5O19]7−anionic units","CrystEngComm","2014","16","30","6848","","10.1039/C4CE00917G","","","0.71073","MoKα","","0.0583","0.0401","","","0.0939","0.1016","","","","","","1.111","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216617","6.6943","0.0006","15.4475","0.0015","15.5647","0.0015","94.626","0.001","98.453","0.001","101.528","0.001","1549.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H58 N2 O3 -","- C31 H58 N2 O3 -","- C62 H116 N4 O6 -","2","1","","Fang, Yuan; Salamé, Nadime; Woo, Simon; Bohle, D. Scott; Friščić, Tomislav; Cuccia, Louis A.","Rapid and facile solvent-free mechanosynthesis in a cell lysis mill: preparation and mechanochemical complexation of aminobenzoquinones","CrystEngComm","2014","16","31","7180","","10.1039/C4CE00328D","","","0.71073","MoKα","","0.0917","0.0724","","","0.1856","0.202","","","","","","1.069","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216618","7.116","0.002","9.994","0.004","19.147","0.007","81.47","0.009","82.505","0.008","87.191","0.008","1334.5","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Ciprofloxacin diflunisal salt","","","- C30 H26 F3 N3 O6 -","- C30 H26 F3 N3 O6 -","- C60 H52 F6 N6 O12 -","2","1","","Bag, Partha Pratim; Ghosh, Soumyajit; Khan, Hamza; Devarapalli, Ramesh; Malla Reddy, C.","Drug‒drug salt forms of ciprofloxacin with diflunisal and indoprofen","CrystEngComm","2014","16","32","7393","","10.1039/C4CE00631C","","","0.71073","MoKα","","0.0822","0.0418","","","0.1122","0.1631","","","","","","0.853","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216619","10.325","0.004","12.615","0.005","12.916","0.005","71.51","0.007","74.334","0.007","70.672","0.007","1479.7","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Ciprofloxacin indoprofen hydrate salt","","","- C34 H35 F N4 O7 -","- C34 H35 F N4 O7 -","- C68 H70 F2 N8 O14 -","2","1","","Bag, Partha Pratim; Ghosh, Soumyajit; Khan, Hamza; Devarapalli, Ramesh; Malla Reddy, C.","Drug‒drug salt forms of ciprofloxacin with diflunisal and indoprofen","CrystEngComm","2014","16","32","7393","","10.1039/C4CE00631C","","","0.71073","MoKα","","0.1216","0.0548","","","0.1182","0.1472","","","","","","1.012","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216620","7.943","0.003","12.822","0.005","13.509","0.005","90","","90.626","0.012","90","","1375.7","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu N4 O10 -","- C26 H22 Cu N4 O10 -","- C52 H44 Cu2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.098","0.0456","","","0.1069","0.1362","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216621","7.7617","0.0002","12.4624","0.0003","13.3308","0.0004","90","","101.243","0.001","90","","1264.73","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O10 -","- C26 H26 Co N4 O10 -","- C52 H52 Co2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0412","0.032","","","0.1034","0.117","","","","","","0.878","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216622","9.3173","0.0006","10.4833","0.0006","14.0375","0.0008","97.468","0.002","96.161","0.002","91.98","0.002","1350.01","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N4 O10 Zn -","- C26 H18 N4 O10 Zn -","- C52 H36 N8 O20 Zn2 -","2","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0677","0.0522","","","0.1759","0.1944","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216623","8.7935","0.0009","12.2071","0.0013","12.6146","0.0013","96.023","0.004","103.536","0.004","96.686","0.004","1295.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cd N4 O9 -","- C26 H18 Cd N4 O9 -","- C52 H36 Cd2 N8 O18 -","2","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0365","0.0304","","","0.0893","0.1004","","","","","","1.187","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7216624","7.9016","0.0001","12.7481","0.0002","13.556","0.0002","90","","101.935","0.001","90","","1335.98","0.03","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cd N4 O10 -","- C26 H26 Cd N4 O10 -","- C52 H52 Cd2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0298","0.0218","","","0.0639","0.0777","","","","","","1.139","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216625","7.7788","0.0003","12.5459","0.0004","13.3501","0.0005","90","","101.483","0.001","90","","1276.79","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Fe N4 O10 -","- C26 H26 Fe N4 O10 -","- C52 H52 Fe2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0405","0.0323","","","0.0934","0.1048","","","","","","1.082","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216626","8.8359","0.0006","19.4935","0.0013","8.0415","0.0005","90","","96.394","0.002","90","","1376.47","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cu N4 O12 -","- C26 H26 Cu N4 O12 -","- C52 H52 Cu2 N8 O24 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0614","0.041","","","0.1103","0.1325","","","","","","1.126","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216627","9.0273","0.0008","9.6688","0.0008","15.3406","0.0012","90","","99.176","0.003","90","","1321.84","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu N4 O10 -","- C26 H18 Cu N4 O10 -","- C52 H36 Cu2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.1039","0.0586","","","0.1359","0.1714","","","","","","1.113","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216628","8.793","0.001","9.8082","0.0011","15.5768","0.0018","90","","100.664","0.003","90","","1320.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O10 -","- C26 H26 Co N4 O10 -","- C52 H52 Co2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0269","0.0252","","","0.071","0.072","","","","","","1.049","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216629","10.6479","0.0004","11.0165","0.0005","12.9533","0.0005","106.997","0.002","96.481","0.002","106.063","0.002","1364.97","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N4 O9 Zn -","- C27 H26 N4 O9 Zn -","- C54 H52 N8 O18 Zn2 -","2","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0438","0.0359","","","0.101","0.1067","","","","","","1.041","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216630","20.3394","0.0016","10.1426","0.0007","14.968","0.0009","90","","104.5","0.005","90","","2989.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 Cd N4 O11 -","- C28 H25 Cd N4 O11 -","- C112 H100 Cd4 N16 O44 -","4","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.03","0.0253","","","0.069","0.0715","","","","","","1.12","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216631","16.5778","0.0008","16.9789","0.0008","21.804","0.001","90","","94.606","0.002","90","","6117.4","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd2 Cl2 N4 O11 -","- C26 H20 Cd2 Cl2 N4 O11 -","- C208 H160 Cd16 Cl16 N32 O88 -","8","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0528","0.0362","","","0.0988","0.1171","","","","","","1.023","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216632","9.4072","0.0003","12.735","0.0003","17.8919","0.0005","90","","90","","90","","2143.46","0.1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0965","0.0526","","","0.1295","0.1543","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216633","18.1964","0.0007","8.1426","0.0003","3.9569","0.0001","90","","124.043","0.002","90","","485.8","0.03","293","","293","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C6 H6 Ca Cl2 N2 O -","- C6 H6 Ca Cl2 N2 O -","- C12 H12 Ca2 Cl4 N4 O2 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Rubini, Katia; Turrina, Alessandro; Zorzi, Federico","Crystal form selectivity by humidity control: the case of the ionic co-crystals of nicotinamide and CaCl2","CrystEngComm","2014","16","32","7452","","10.1039/C4CE00464G","powder diffraction","","1.5406","CuKα","","","","","","","","","","1.222","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7216634","17.5215","0.0006","11.4158","0.0004","6.7943","0.0002","90","","90","","90","","1359.01","0.08","293","","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H14 Ca Cl2 N2 O5 -","- C6 H6 Ca Cl2 N2 O5 -","- C24 H24 Ca4 Cl8 N8 O20 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Rubini, Katia; Turrina, Alessandro; Zorzi, Federico","Crystal form selectivity by humidity control: the case of the ionic co-crystals of nicotinamide and CaCl2","CrystEngComm","2014","16","32","7452","","10.1039/C4CE00464G","powder diffraction","","1.5406","CuKα","","","","","","","","","0.03117","1.46","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7216635","10.18","0.002","11.926","0.002","13.693","0.003","105.79","0.03","97.96","0.03","95.69","0.03","1567.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N11 Nd O13 -","- C24 H24 N11 Nd O13 -","- C48 H48 N22 Nd2 O26 -","2","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0414","0.0376","","","0.1057","0.122","","","","","","1.19","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216636","28.898","0.006","7.76","0.0016","19.778","0.004","90","","104.39","0.03","90","","4296","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 La N4 O7 -","- C12 H22 Cl3 La N4 O7 -","- C96 H176 Cl24 La8 N32 O56 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0627","0.0537","","","0.1187","0.123","","","","","","1.249","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216637","28.77","0.006","7.739","0.0015","19.629","0.004","90","","104.26","0.03","90","","4235.8","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 N4 Nd O7 -","- C12 H22 Cl3 N4 Nd O7 -","- C96 H176 Cl24 N32 Nd8 O56 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0276","0.0262","","","0.0598","0.0607","","","","","","1.135","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216638","28.794","0.006","7.7507","0.0016","19.683","0.004","90","","104.34","0.03","90","","4255.9","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 N4 O7 Pr -","- C12 H22 Cl3 N4 O7 Pr -","- C96 H176 Cl24 N32 O56 Pr8 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0497","0.0419","","","0.0831","0.087","","","","","","1.105","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216639","28.712","0.006","7.7286","0.0015","19.559","0.004","90","","104.11","0.03","90","","4209.3","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 N4 O7 Sm -","- C12 H22 Cl3 N4 O7 Sm -","- C96 H176 Cl24 N32 O56 Sm8 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0827","0.0747","","","0.1904","0.2011","","","","","","1.18","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216640","28.616","0.006","7.7264","0.0015","19.526","0.004","90","","104.04","0.03","90","","4188.2","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 Gd N4 O7 -","- C12 H22 Cl3 Gd N4 O7 -","- C96 H176 Cl24 Gd8 N32 O56 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0396","0.0357","","","0.1016","0.1163","","","","","","1.238","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216641","8.6514","0.0017","9.1529","0.0018","14.048","0.003","96.25","0.03","99.78","0.03","105.83","0.03","1040.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cl3 Er N4 O7 -","- C12 H22 Cl3 Er N4 O7 -","- C24 H44 Cl6 Er2 N8 O14 -","2","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0254","0.0246","","","0.0679","0.0684","","","","","","1.201","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216642","29.485","0.006","7.878","0.0016","20.344","0.004","90","","103.39","0.03","90","","4597.1","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Br3 N4 O7 Pr -","- C12 H22 Br3 N4 O7 Pr -","- C96 H176 Br24 N32 O56 Pr8 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.082","0.0646","","","0.1693","0.1984","","","","","","1.221","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216643","7.4217","0.0003","23.8402","0.0008","11.7942","0.0004","90","","99.776","0.004","90","","2056.5","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 -","- C27 H26 N2 -","- C108 H104 N8 -","4","1","","Yasmin, Lyzu; Eggers, Paul K.; Skelton, Brian W.; Stubbs, Keith A.; Raston, Colin L.","Thin film microfluidic synthesis of fluorescent highly substituted pyridines","Green Chemistry","2014","16","7","3450","","10.1039/c4gc00881b","","","0.71073","MoKα","","0.1015","0.0824","","","0.1897","0.2007","","","","","","1.143","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216644","11.8935","0.0005","13.1976","0.0006","33.9681","0.0016","90","","90","","90","","5331.8","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H30 Cl2 N3 P Ru -","- C28 H30 Cl2 N3 P Ru -","- C224 H240 Cl16 N24 P8 Ru8 -","8","1","","Li, Wei; Xie, Jian-Hua; Yuan, Ming-Lei; Zhou, Qi-Lin","Ruthenium complexes of tetradentate bipyridine ligands: highly efficient catalysts for the hydrogenation of carboxylic esters and lactones","Green Chemistry","2014","16","9","4081","","10.1039/C4GC00835A","","","0.71075","MoKα","","0.0705","0.0659","","","0.1255","0.1273","","","","","","1.293","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216645","14.3564","0.0012","13.8963","0.0012","18.4197","0.0015","90","","90","","90","","3674.7","0.5","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H44 Mo6 N6 O29.5 P -","- C6 H13 Mo6 N6 O29.5 P -","- C24 H52 Mo24 N24 O118 P4 -","4","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0325","0.0307","","","0.0825","0.0837","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216646","14.932","0.005","13.158","0.004","23.575","0.007","90","","90","","90","","4632","3","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H44 Mo6 N8 Na O34 P -","- C18 H30 Mo6 N8 Na O34 P -","- C72 H120 Mo24 N32 Na4 O136 P4 -","4","0.5","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0356","0.0323","","","0.0852","0.0874","","","","","","1.058","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216647","24.95","0.008","21.344","0.007","21.084","0.006","90","","120.51","0.006","90","","9673","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H51 Mo6 N6 O36 P -","- C21 H18 Mo6 N6 O36 P -","- C168 H144 Mo48 N48 O288 P8 -","8","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0698","0.0431","","","0.1046","0.121","","","","","","1.035","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216648","12.375","0.002","12.611","0.003","18.842","0.004","79.892","0.004","89.735","0.004","70.484","0.003","2723.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H49 Mo6 N5 O38 P -","- C21 H15 Mo6 N5 O38 P -","- C42 H30 Mo12 N10 O76 P2 -","2","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0625","0.0504","","","0.1708","0.1794","","","","","","1.062","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216649","15.184","0.006","17.929","0.007","16.115","0.006","90","","117.472","0.006","90","","3892","3","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H66 Mo12 N10 O60 P2 -","- C12 H12 Mo12 N10 O60 P2 -","- C24 H24 Mo24 N20 O120 P4 -","2","0.5","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.1559","0.1098","","","0.3193","0.3417","","","","","","1.043","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216650","18.1471","0.0018","26.828","0.003","19.2959","0.0019","90","","115.157","0.002","90","","8503.1","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H79 Mo12 N10 O60.5 P2 -","- C18 H24 Mo12 N10 O60.5 P2 -","- C72 H96 Mo48 N40 O242 P8 -","4","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.1712","0.0685","","","0.1587","0.188","","","","","","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216651","20.299","0.007","6.988","0.004","6.747","0.003","90","","99.2","0.04","90","","944.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","semicarbazide 5 metastable polymorph","N-(4-chlorobenzamide)urea","","- C8 H8 Cl N3 O2 -","- C8 H8 Cl N3 O2 -","- C32 H32 Cl4 N12 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.0837","0.0577","","","0.1254","0.1363","","","","","","1.121","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216652","4.524","0.003","23.583","0.007","9.537","0.004","90","","108.39","0.02","90","","965.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-nitrophenylbenzamido)urea","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C32 H32 N16 O16 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.084","0.049","","","0.1047","0.121","","","","","","1.023","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216653","4.508","0.003","24.111","0.007","9.612","0.004","90","","105.38","0.03","90","","1007.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-cyanobenzamide)urea","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C36 H32 N16 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.1524","0.0822","","","0.2468","0.2852","","","","","","1.09","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216654","4.513","0.002","20.038","0.007","9.619","0.005","90","","106.34","0.02","90","","834.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(isonicotinoamido)urea","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.0932","0.0484","","","0.0967","0.111","","","","","","1.066","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216655","7.785","0.004","13.578","0.006","8.459","0.004","90","","99.74","0.02","90","","881.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-fluorobenzamide)urea","","- C8 H8 F N3 O2 -","- C8 H8 F N3 O2 -","- C32 H32 F4 N12 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.082","0.0623","","","0.2158","0.2268","","","","","","1.215","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216656","6.786","0.004","4.604","0.003","30.169","0.008","90","","90.76","0.03","90","","942.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-chlorobenzamide)urea","","- C8 H8 Cl N3 O2 -","- C8 H8 Cl N3 O2 -","- C32 H32 Cl4 N12 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.0878","0.0448","","","0.0931","0.1114","","","","","","0.983","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216657","12.972","0.0011","5.0426","0.0004","17.0878","0.0015","90","","92.47","0.004","90","","1116.72","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","TW-1-107 [2-(4-pyridyl)-imidazole]2, 1,4-diiodotetrafluorobenzene","","- C22 H14 F4 I2 N6 -","- C22 H14 F4 I2 N6 -","- C44 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0329","0.0256","","","0.0589","0.0622","","","","","","1.058","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216658","12.3214","0.0007","8.9036","0.0005","9.8742","0.0006","90","","100.493","0.001","90","","1065.13","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 I2 N6 -","- C18 H14 F4 I2 N6 -","- C36 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0224","0.0215","","","0.0564","0.057","","","","","","1.037","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216659","14.35","0.0009","8.7642","0.0005","9.9637","0.0006","90","","106.551","0.002","90","","1201.18","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TW-2-07 [2-(3-pyridyl)-imidazole]2, I-(CF2)4-I","","- C20 H14 F8 I2 N6 -","- C20 H14 F8 I2 N6 -","- C40 H28 F16 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0321","0.0284","","","0.0626","0.0639","","","","","","1.11","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216660","10.0009","0.0013","28.964","0.004","4.1036","0.0006","90","","100.997","0.002","90","","1166.8","0.3","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C22 H14 F4 I2 N6 -","- C22 H14 F4 I2 N6 -","- C44 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0221","0.0203","","","0.0462","0.047","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216661","4.1462","0.0003","27.9646","0.0017","9.9124","0.0006","90","","100.094","0.002","90","","1131.52","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TW-2-27 [2-(3-pyridyl)-imidazole]2, 1,4-diiodotetrafluorobenzene","","- C22 H14 F4 I2 N6 -","- C22 H14 F4 I2 N6 -","- C44 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0301","0.0254","","","0.0586","0.0607","","","","","","1.022","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216662","32.4147","0.0016","9.9354","0.0005","7.4776","0.0004","90","","90","","90","","2408.2","0.2","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","TW-1-57 [2-(3-pyridyl)-imidazole]2, 1,3,5-F3-2,4,6-I3-benzene","","- C22 H14 F3 I3 N6 -","- C22 H14 F3 I3 N6 -","- C88 H56 F12 I12 N24 -","4","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.042","0.0343","","","0.0781","0.0805","","","","","","1.157","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216663","4.2333","0.0003","32.768","0.002","9.9627","0.0008","90","","93.76","0.001","90","","1379.02","0.17","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","TW-1-67 [2-(3-pyridyl)-imidazole], 4,4'-diiodo-F8-biphenyl","","- C28 H14 F8 I2 N6 -","- C28 H14 F8 I2 N6 -","- C56 H28 F16 I4 N12 -","2","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0216","0.0205","","","0.0475","0.048","","","","","","1.027","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216664","4.0019","0.0011","28.546","0.008","9.972","0.003","90","","98.464","0.008","90","","1126.8","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TW-1-47 [2-(3-pyridyl)-imidazole]2, 1-bromo-4-iodotetrafluorobenzene","","- C22 H14 Br F4 I N6 -","- C22 H14 Br F4 I N6 -","- C44 H28 Br2 F8 I2 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.1276","0.1103","","","0.2375","0.2432","","","","","","1.348","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216665","5.1393","0.0006","11.0259","0.0012","15.2795","0.0017","92.084","0.003","91.221","0.003","100.093","0.003","851.52","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-2-13 [2-(2-pyridyl)-imidazole]3, I-(CF2)6-I","","- C30 H21 F12 I2 N9 -","- C30 H21 F12 I2 N9 -","- C30 H21 F12 I2 N9 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","1.54178","CuKα","","0.0391","0.0368","","","0.1201","0.1302","","","","","","1.257","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216666","9.392","0.0005","10.5244","0.0006","17.4011","0.001","106.841","0.002","92.19","0.002","106.005","0.002","1569.34","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-1-R38 2-(2-pyridyl)-imidazole, 1,4-diiodotetrafluorobenzene","","- C14 H7 F4 I2 N3 -","- C14 H7 F4 I2 N3 -","- C56 H28 F16 I8 N12 -","4","2","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0321","0.027","","","0.0654","0.0688","","","","","","1.056","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216667","24.4359","0.0012","7.2667","0.0004","16.3695","0.0008","90","","109.713","0.001","90","","2736.4","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","TW-1-68 [2-(2-pyridyl)-imidazole]2, 4,4'-diiodo-F8-biphenyl","","- C28 H14 F8 I2 N6 -","- C28 H14 F8 I2 N6 -","- C112 H56 F32 I8 N24 -","4","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0251","0.0231","","","0.0559","0.057","","","","","","1.029","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216668","6.1488","0.0007","6.3967","0.0007","15.8942","0.0019","81.861","0.004","85.95","0.004","72.388","0.003","589.59","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-2-09 2-(2-pyrazinyl)-imidazole, I-(CF2)4-I","","- C18 H12 F8 I2 N8 -","- C18 H12 F8 I2 N8 -","- C18 H12 F8 I2 N8 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.049","0.0314","","","0.1023","0.1144","","","","","","1.14","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216669","11.0717","0.0006","10.625","0.0006","10.1858","0.0006","90","","108.814","0.002","90","","1134.2","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TW-1-M1 2-(2-pyrazinyl)-imidazole, 1,4-diiodotetrafluorobenzene, I-(CF2)4-I","","- C20 H12 F4 I2 N8 -","- C20 H12 F4 I2 N8 -","- C40 H24 F8 I4 N16 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0249","0.0219","","","0.058","0.0595","","","","","","1.077","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216670","33.0655","0.0016","9.8284","0.0005","7.3176","0.0003","90","","90","","90","","2378.08","0.19","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","TW-1-59 [2-(2-pyrazinyl)-imidazole]2, 1,3,5-F3-2,4,6-I3-benzene","","- C20 H12 F3 I3 N8 -","- C20 H12 F2.5 I3 N8 -","- C80 H48 F10 I12 N32 -","4","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0269","0.0212","","","0.046","0.048","","","","","","1.046","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216671","7.6527","0.0004","12.7331","0.0007","15.4446","0.0009","67.32","0.001","88.558","0.002","81.616","0.001","1372.95","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-1-69 [2-(2-pyrazinyl)-imidazole]2, 4,4'-diiodo-F8-biphenyl","","- C26 H12 F8 I2 N8 -","- C26 H12 F8 I2 N8 -","- C52 H24 F16 I4 N16 -","2","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0234","0.021","","","0.0505","0.0516","","","","","","1.041","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216672","18.175","0.003","8.3359","0.0014","20.6","0.004","90","","91.868","0.003","90","","3119.3","1","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K La N4 O10.5 S2 -","- C8 H5 K La N4 O10.5 S2 -","- C64 H40 K8 La8 N32 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0253","0.021","","","0.0499","0.0526","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216673","18.1735","0.0007","8.3436","0.0003","20.5557","0.0008","90","","91.699","0.001","90","","3115.5","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Ce K N4 O10.5 S2 -","- C8 H5 Ce K N4 O10.5 S2 -","- C64 H40 Ce8 K8 N32 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.021","0.0187","","","0.0475","0.0494","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216674","18.1389","0.0014","8.3629","0.0006","20.4829","0.0015","90","","91.505","0.001","90","","3106.1","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K N4 O10.5 Pr S2 -","- C8 H5 K N4 O10.5 Pr S2 -","- C64 H40 K8 N32 O84 Pr8 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0226","0.0196","","","0.043","0.0446","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216675","18.077","0.004","8.3675","0.0017","20.38","0.004","90","","91.14","0.03","90","","3082.1","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K N4 Nd O10.5 S2 -","- C8 H5 K N4 Nd O10.5 S2 -","- C64 H40 K8 N32 Nd8 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0309","0.0227","","","0.0437","0.0464","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216676","18.031","0.0018","8.3836","0.0008","20.254","0.002","90","","90.938","0.001","90","","3061.3","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K N4 O10.5 S2 Sm -","- C8 H5 K N4 O10.5 S2 Sm -","- C64 H40 K8 N32 O84 S16 Sm8 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0299","0.028","","","0.0645","0.0652","","","","","","1.258","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216677","18.017","0.007","8.423","0.004","20.231","0.008","90","","90.709","0.006","90","","3070","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Eu K N4 O10.5 S2 -","- C8 H5 Eu K N4 O10.5 S2 -","- C64 H40 Eu8 K8 N32 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0212","0.0193","","","0.0452","0.0463","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216678","17.9598","0.0011","8.3889","0.0005","20.1191","0.0013","90","","90.639","0.001","90","","3031","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Gd K N4 O10.5 S2 -","- C8 H5 Gd K N4 O10.5 S2 -","- C64 H40 Gd8 K8 N32 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0198","0.0181","","","0.042","0.0428","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216679","17.9851","0.0018","8.41","0.0008","20.1083","0.0019","90","","90.563","0.002","90","","3041.3","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K N4 O10.5 S2 Tb -","- C8 H5 K N4 O10.5 S2 Tb -","- C64 H40 K8 N32 O84 S16 Tb8 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0199","0.019","","","0.0455","0.0461","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216680","8.2691","0.0006","10.3254","0.0007","10.9614","0.0012","102.769","0.001","109.274","0.001","111.52","0.001","756.93","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 K2 La2 N4 O21 S2 -","- C16 H12 K2 La2 N4 O21 S2 -","- C16 H12 K2 La2 N4 O21 S2 -","1","0.5","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0261","0.0234","","","0.0622","0.0637","","","","","","1.092","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216681","8.2471","0.0012","10.2753","0.0014","10.915","0.002","102.534","0.003","109.195","0.003","112.16","0.002","745","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 Ce2 K2 N4 O21 S2 -","- C16 H12 Ce2 K2 N4 O21 S2 -","- C16 H12 Ce2 K2 N4 O21 S2 -","1","0.5","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0444","0.0384","","","0.0814","0.0852","","","","","","1.048","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216682","7.0404","0.0003","13.0015","0.0006","13.7338","0.0006","90","","100.881","0.001","90","","1234.53","0.09","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H4 La2 N6 O14 S3 -","- C12 La2 N6 O14 S3 -","- C24 La4 N12 O28 S6 -","2","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0283","0.0279","","","0.0908","0.091","","","","","","1.102","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216683","6.975","0.005","12.901","0.008","13.551","0.009","90","","100.729","0.011","90","","1198.1","1.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H4 Ce2 N6 O14 S3 -","- C12 Ce2 N6 O14 S3 -","- C24 Ce4 N12 O28 S6 -","2","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0766","0.0718","","","0.1759","0.1796","","","","","","1.007","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216684","18.7481","0.0018","20.0714","0.0019","32.865","0.003","90","","98.535","0.001","90","","12230","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C155 H111 Co10 N9 O43 -","- C155 H95 Co10 N9 O43 -","- C310 H190 Co20 N18 O86 -","2","0.5","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.1164","0.064","","","0.1975","0.2584","","","","","","1.093","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216685","22.476","0.005","7.706","0.0018","22.255","0.005","90","","102.056","0.011","90","","3769.6","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Co3 N2 O14 -","- C40 H24 Co3 N2 O14 -","- C160 H96 Co12 N8 O56 -","4","0.5","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0315","0.0288","","","0.0798","0.0817","","","","","","1.063","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216686","17.343","0.017","15.231","0.015","8.426","0.012","90","","117.09","0.02","90","","1982","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O5 Zn -","- C19 H11 N O4 Zn -","- C76 H44 N4 O16 Zn4 -","4","0.5","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0404","0.0366","","","0.107","0.1088","","","","","","1.152","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216687","9.69","0.003","11.998","0.004","19.891","0.007","96.548","0.004","99.122","0.004","113.712","0.004","2049.7","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 Co2 N4 O12 -","- C38 H22 Co2 N2 O10 -","- C76 H44 Co4 N4 O20 -","2","1","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0571","0.051","","","0.1576","0.166","","","","","","1.129","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216688","9.6769","0.0017","10.0627","0.0018","12.108","0.002","72.146","0.002","66.911","0.002","74.995","0.002","1019.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Mn N2 O6 -","- C22 H18 Mn N2 O6 -","- C44 H36 Mn2 N4 O12 -","2","1","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0796","0.06","","","0.1709","0.203","","","","","","1.122","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216689","10.469","0.01","10.611","0.011","11.429","0.011","89.177","0.014","65.827","0.013","66.661","0.013","1046.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Co N2 O5 -","- C22 H18 Co N2 O5 -","- C44 H36 Co2 N4 O10 -","2","1","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0727","0.064","","","0.1829","0.1916","","","","","","1.041","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216690","10.0616","0.0008","12.9846","0.0011","13.0016","0.0011","75.44","0.002","78.837","0.002","83.287","0.002","1608.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Cu3 N16 O20 -","- C48 H34 Cu3 N16 O20 -","- C48 H34 Cu3 N16 O20 -","1","0.5","","Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S.","Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration","CrystEngComm","2014","16","33","7722","","10.1039/C4CE00830H","","","0.71073","MoKα","","0.0836","0.0771","","","0.2283","0.2358","","","","","","1.098","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216691","7.1089","0.0014","13.125","0.003","13.376","0.003","93.524","0.003","93.563","0.003","99.823","0.004","1224.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cu N3 O12 -","- C21 H27 Cu N3 O12 -","- C42 H54 Cu2 N6 O24 -","2","1","","Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S.","Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration","CrystEngComm","2014","16","33","7722","","10.1039/C4CE00830H","","","0.71073","MoKα","","0.0364","0.0335","","","0.0901","0.0923","","","","","","1.031","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216692","13.9922","0.0013","15.9422","0.0015","16.2434","0.0015","70.832","0.002","69.321","0.002","88.235","0.002","3187.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H69 Cu3 N17 O32 -","- C105 H69 Cu3 N17 O32 -","- C105 H69 Cu3 N17 O32 -","1","0.5","","Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S.","Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration","CrystEngComm","2014","16","33","7722","","10.1039/C4CE00830H","","","0.71073","MoKα","","0.0896","0.0737","","","0.2108","0.2254","","","","","","1.069","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216693","30.925","0.003","13.245","0.0011","19.2577","0.0015","90","","106.047","0.002","90","","7580.6","1.1","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H48 Cu3 N10 O21 -","- C66 H48 Cu3 N10 O21 -","- C264 H192 Cu12 N40 O84 -","4","0.5","","Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S.","Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration","CrystEngComm","2014","16","33","7722","","10.1039/C4CE00830H","","","0.71073","MoKα","","0.1","0.0787","","","0.2443","0.2613","","","","","","1.062","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216694","10.2704","0.0004","10.7807","0.0005","11.5645","0.0006","73.454","0.001","84.803","0.002","62.697","0.001","1089.47","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 B F2 N3 O -","- C26 H24 B F2 N3 O -","- C52 H48 B2 F4 N6 O2 -","2","1","","Pan, Zhong-Hua; Zhou, Jing-Wei; Luo, Geng-Geng","Experimental and theoretical study of enol-keto prototropic tautomerism and photophysics of azomethine-BODIPY dyads.","Physical chemistry chemical physics : PCCP","2014","16","30","16290","16301","10.1039/c4cp02151g","","","0.71073","MoKα","","0.0749","0.0408","","","0.1139","0.1688","","","","","","1.188","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216695","9.2908","0.0007","10.8702","0.0008","13.9066","0.0012","102.09","0.007","94.075","0.007","114.538","0.007","1229.41","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 B F2 N3 O -","- C30 H26 B F2 N3 O -","- C60 H52 B2 F4 N6 O2 -","2","1","","Pan, Zhong-Hua; Zhou, Jing-Wei; Luo, Geng-Geng","Experimental and theoretical study of enol-keto prototropic tautomerism and photophysics of azomethine-BODIPY dyads.","Physical chemistry chemical physics : PCCP","2014","16","30","16290","16301","10.1039/c4cp02151g","","","0.71073","MoKα","","0.0556","0.0397","","","0.0969","0.1045","","","","","","1.027","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216702","22.267","0.003","22.267","0.003","23.162","0.003","90","","90","","90","","11484","3","298","2","298","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C40 H48 Cu4 I4 N16 O10 -","- C40 H48 Cu4 I4 N16 O10 -","- C320 H384 Cu32 I32 N128 O80 -","8","0.5","","Hong, Xu-Jia; Liu, Xiang; Zhang, Jing-Bo; Lin, Chu-Ling; Wu, Xiao; Ou, Yan-Jun; Yang, Jian; Jin, Hong-Guang; Cai, Yue-Peng","Two low-dimensional Schiff base copper(i/ii) complexes: synthesis, characterization and catalytic activity for degradation of organic dyes","CrystEngComm","2014","16","34","7926","","10.1039/C4CE01207K","","","0.71073","MoKα","","0.1293","0.0591","","","0.1323","0.1712","","","","","","1.012","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216703","16.408","0.005","23.207","0.007","16.67","0.005","90","","98.473","0.005","90","","6278","3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H47 Cu6 I6 N17 O8 -","- C42 H47 Cu6 I6 N17 O8 -","- C168 H188 Cu24 I24 N68 O32 -","4","1","","Hong, Xu-Jia; Liu, Xiang; Zhang, Jing-Bo; Lin, Chu-Ling; Wu, Xiao; Ou, Yan-Jun; Yang, Jian; Jin, Hong-Guang; Cai, Yue-Peng","Two low-dimensional Schiff base copper(i/ii) complexes: synthesis, characterization and catalytic activity for degradation of organic dyes","CrystEngComm","2014","16","34","7926","","10.1039/C4CE01207K","","","0.71073","MoKα","","0.1358","0.0589","","","0.1398","0.1799","","","","","","1.002","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7216704","11.541","0.003","13.901","0.003","20.769","0.004","91.178","0.003","90.148","0.003","107.497","0.003","3177","1.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H106 Cu10 I10 N36 O17 -","- C88 H104 Cu10 I10 N36 O17 -","- C88 H104 Cu10 I10 N36 O17 -","1","0.5","","Hong, Xu-Jia; Liu, Xiang; Zhang, Jing-Bo; Lin, Chu-Ling; Wu, Xiao; Ou, Yan-Jun; Yang, Jian; Jin, Hong-Guang; Cai, Yue-Peng","Two low-dimensional Schiff base copper(i/ii) complexes: synthesis, characterization and catalytic activity for degradation of organic dyes","CrystEngComm","2014","16","34","7926","","10.1039/C4CE01207K","","","0.71073","MoKα","","0.108","0.0655","","","0.2214","0.2463","","","","","","0.989","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216705","14.999","0.003","4.603","0.0009","16.068","0.003","90","","108.53","0.03","90","","1051.8","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Urea : 4,4'bipyridine Form I","","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C44 H48 N16 O4 -","4","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.0481","0.0408","","","0.1373","0.1566","","","","","","1.254","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216706","25.07","0.004","9.1849","0.0015","4.5943","0.0008","90","","90","","90","","1057.9","0.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Urea : 4,4'bipyridine Form II","","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C44 H48 N16 O4 -","4","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.064","0.0513","","","0.131","0.1371","","","","","","1.141","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216707","7.86","0.008","8.308","0.008","8.547","0.008","87.812","0.014","82.149","0.003","65.9","0.014","504.6","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","salicylic acid:4,4'-bipyridine Form I","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","1","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.0483","0.0442","","","0.1194","0.1228","","","","","","1.077","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216708","9.92","0.009","4.919","0.004","23.046","0.018","90","","114.28","0.03","90","","1025.1","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","salicylic acid:4,4'-bipyridine Form II","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C48 H40 N4 O12 -","2","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.0696","0.0582","","","0.1461","0.166","","","","","","1.06","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216709","7.1","0.005","23.968","0.005","10.935","0.005","90","","103.945","0.005","90","","1806","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0406","0.0328","","","0.0731","0.0753","","","","","","1.009","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216710","7.119","0.005","23.688","0.005","10.909","0.005","90","","103.36","0.005","90","","1789.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.032","0.0251","","","0.0575","0.0607","","","","","","1.017","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216711","7.146","0.005","23.684","0.005","10.944","0.005","90","","103.455","0.005","90","","1801.4","1.6","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0334","0.0252","","","0.0585","0.0624","","","","","","1.025","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216712","7.17","0.005","23.69","0.005","10.982","0.005","90","","103.569","0.005","90","","1813.3","1.6","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0345","0.0249","","","0.0569","0.0614","","","","","","1.039","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216713","7.202","0.005","23.718","0.005","11.025","0.005","90","","103.746","0.005","90","","1829.3","1.6","250","2","250","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0409","0.0278","","","0.0609","0.0666","","","","","","1.023","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216714","7.235","0.005","23.768","0.005","11.072","0.005","90","","103.92","0.005","90","","1848","1.6","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0478","0.0305","","","0.065","0.0724","","","","","","1.022","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216715","7.104","0.005","23.968","0.005","10.941","0.005","90","","103.958","0.005","90","","1807.9","1.6","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0403","0.0318","","","0.071","0.0732","","","","","","0.998","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216716","7.103","0.005","23.963","0.005","10.942","0.005","90","","103.964","0.005","90","","1807.4","1.6","115","2","115","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.042","0.0327","","","0.0719","0.0742","","","","","","0.987","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216717","7.101","0.005","23.928","0.005","10.936","0.005","90","","103.958","0.005","90","","1803.3","1.6","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0522","0.0404","","","0.0988","0.1034","","","","","","0.983","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216718","7.096","0.005","23.843","0.005","10.917","0.005","90","","103.788","0.005","90","","1793.8","1.6","125","2","125","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0481","0.0359","","","0.0871","0.0911","","","","","","1.023","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216719","7.102","0.005","23.707","0.005","10.91","0.005","90","","103.541","0.005","90","","1785.8","1.5","130","2","130","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0462","0.0352","","","0.0896","0.0931","","","","","","1.007","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216720","7.108","0.005","23.656","0.005","10.909","0.005","90","","103.439","0.005","90","","1784.1","1.5","135","2","135","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0414","0.0304","","","0.0757","0.079","","","","","","1.02","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216721","11.3768","0.0009","21.2361","0.0015","12.4255","0.0009","90","","100.766","0.004","90","","2949.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34.8 N4 O9.4 P3 -","- C23 H34 N4 O9.395 P3 -","- C92 H136 N16 O37.58 P12 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1468","0.0581","","","0.1338","0.1821","","","","","","0.916","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216722","11.4912","0.0009","9.4729","0.0007","22.7526","0.0018","90","","118.245","0.004","90","","2181.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 N4 O8 P2 -","- C13 H24 N4 O7 P2 -","- C52 H96 N16 O28 P8 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1032","0.0759","","","0.2319","0.2439","","","","","","1.056","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216723","15.269","0.003","8.82","0.002","21.635","0.005","90","","90","","90","","2913.6","1.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H41 N8 O6 P -","- C25 H41 N8 O6 P -","- C100 H164 N32 O24 P4 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.0858","0.0541","","","0.1342","0.1532","","","","","","0.933","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216724","26.1677","0.001","16.0917","0.0008","8.6296","0.0004","90","","90","","90","","3633.8","0.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H46 N8 O6 P2 -","- C34 H46 N8 O6 P2 -","- C136 H184 N32 O24 P8 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1077","0.0494","","","0.1125","0.1441","","","","","","1","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216725","10.364","0.003","16.227","0.004","11.093","0.003","90","","102.843","0.012","90","","1818.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N4 O5 P -","- C14 H23 N4 O5 P -","- C56 H92 N16 O20 P4 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1719","0.0368","","","0.1236","0.1534","","","","","","1.082","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216726","11.6984","0.0005","19.793","0.0008","25.4741","0.0011","90","","92.012","0.002","90","","5894.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H44 N4 O7 P2 -","- C20.9975 H44 N4 O7 P2 -","- C167.98 H352 N32 O56 P16 -","8","4","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.0888","0.0485","","","0.1033","0.1211","","","","","","0.995","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216727","24.4212","0.0006","8.3161","0.0002","13.2973","0.0004","90","","92.341","0.002","90","","2698.28","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C104 H80 N16 O32 S8 -","8","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.1009","0.0461","","","0.1219","0.1494","","","","","","1","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216728","6.1653","0.0007","17.4934","0.0018","12.4757","0.0013","90","","104.928","0.007","90","","1300.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C52 H40 N8 O16 S4 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.1101","0.0838","","","0.2643","0.2906","","","","","","1.185","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216729","4.0558","0.0003","20.4472","0.0016","16.1833","0.0012","90","","102.878","0.005","90","","1308.32","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C52 H40 N8 O16 S4 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.071","0.0489","","","0.1227","0.1365","","","","","","1.078","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216730","13.103","0.0007","13.866","0.0008","15.6862","0.001","81.809","0.004","71.861","0.003","79.628","0.003","2652.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C104 H80 N16 O32 S8 -","8","4","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.234","0.0877","","","0.2065","0.2894","","","","","","0.987","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216731","3.9606","0.0003","12.1751","0.0008","31.027","0.002","90","","93.629","0.003","90","","1493.14","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O5 S -","- C13 H10 N2 O5 S -","- C52 H40 N8 O20 S4 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.0702","0.0576","","","0.1757","0.1888","","","","","","1.064","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216732","13.041","0.005","14.26","0.005","20.45","0.005","77.812","0.005","78.2","0.005","66.431","0.005","3376.4","1.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H64 N12 Na Nb14 O60 V -","- C10 H50 N12 Na Nb14 O60 V -","- C20 H100 N24 Na2 Nb28 O120 V2 -","2","1","","Huang, Peng; Zhou, En-Long; Wang, Xin-Long; Sun, Chun-Yi; Wang, Hai-Ning; Xing, Yan; Shao, Kui-Zhan; Su, Zhong-Min","New heteropolyniobates based on a bicapped Keggin-type {VNb14} cluster with selective adsorption and photocatalytic properties","CrystEngComm","2014","16","41","9582","","10.1039/C4CE00960F","","","0.71073","MoKα","","0.0657","0.0455","","","0.1298","0.1405","","","","","","1.054","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216733","32.849","0.005","32.849","0.005","13.718","0.005","90","","90","","90","","14803","6","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- H62 K7 N2 Na4 Nb14 O79 V -","- K7 N2 Na4 Nb14 O72 V -","- K56 N16 Na32 Nb112 O576 V8 -","8","1","","Huang, Peng; Zhou, En-Long; Wang, Xin-Long; Sun, Chun-Yi; Wang, Hai-Ning; Xing, Yan; Shao, Kui-Zhan; Su, Zhong-Min","New heteropolyniobates based on a bicapped Keggin-type {VNb14} cluster with selective adsorption and photocatalytic properties","CrystEngComm","2014","16","41","9582","","10.1039/C4CE00960F","","","0.71069","MoKα","","0.0733","0.059","","","0.1524","0.1665","","","","","","1.055","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216734","9.835","0.007","10.222","0.007","16.06","0.01","83.79","0.01","76.41","0.01","87.92","0.01","1560.1","1.8","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C28 H22 -","- C28 H22 -","- C84 H66 -","3","1.5","","Bacchi, A.; Brillante, A.; Crocco, D.; Chierotti, M. R.; Della Valle, R. G.; Girlando, A.; Masino, M.; Pelagatti, P.; Venuti, E.","Exploration of the polymorph landscape for 1,1,4,4-tetraphenyl-1,3-butadiene","CrystEngComm","2014","16","35","8205","","10.1039/C4CE01046A","","","0.71073","MoKα","","0.0782","0.0582","","","0.1615","0.1822","","","","","","1.039","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216735","8.846","0.003","8.839","0.003","10.016","0.003","74.927","0.006","64.092","0.005","68.128","0.006","649.3","0.4","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C34 H34 -","- C34 H34 -","- C34 H34 -","1","0.5","","Bacchi, A.; Brillante, A.; Crocco, D.; Chierotti, M. R.; Della Valle, R. G.; Girlando, A.; Masino, M.; Pelagatti, P.; Venuti, E.","Exploration of the polymorph landscape for 1,1,4,4-tetraphenyl-1,3-butadiene","CrystEngComm","2014","16","35","8205","","10.1039/C4CE01046A","","","0.71073","MoKα","","0.1203","0.0677","","","0.195","0.2321","","","","","","0.976","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216736","7.9126","0.0011","9.8932","0.0013","12.7628","0.0017","67.925","0.002","81.427","0.002","86.609","0.002","915.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 F N3 O4 -","- C21 H15 F N3 O4 -","- C42 H30 F2 N6 O8 -","2","1","","Fan, Juan; Yang, Qin-Yi; He, Guojin; Xie, Xiaoguang; Zhu, Hong-You; Jin, Yi; Lin, Jun","Efficient and regioselective synthesis of bicyclic pyrrolidones or bicyclic pyridones by cyclocondensation of heterocyclic ketene aminals with nitro-phenylpropiolate","RSC Advances","2014","","","","","10.1039/c4ra01966k","","","0.71073","MoKα","","0.0985","0.0619","","","0.1628","0.1835","","","","","","1.043","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216737","9.0486","0.0012","9.6016","0.0013","11.8421","0.0016","99.276","0.002","100.169","0.002","99.535","0.002","979.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cl N3 O4 -","- C22 H18 Cl N3 O4 -","- C44 H36 Cl2 N6 O8 -","2","1","","Fan, Juan; Yang, Qin-Yi; He, Guojin; Xie, Xiaoguang; Zhu, Hong-You; Jin, Yi; Lin, Jun","Efficient and regioselective synthesis of bicyclic pyrrolidones or bicyclic pyridones by cyclocondensation of heterocyclic ketene aminals with nitro-phenylpropiolate","RSC Advances","2014","","","","","10.1039/c4ra01966k","","","0.71073","MoKα","","0.0897","0.0489","","","0.1138","0.1385","","","","","","1.056","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216738","19.4919","0.0005","19.4919","0.0005","25.8585","0.0015","90","","90","","90","","9824.5","0.7","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 N8 O4 P2 Zn -","- C20 H20 N8 O4 P2 Zn -","- C320 H320 N128 O64 P32 Zn16 -","16","0.5","","Pal, Souvik; Jana, Partha P.; Nayek, Hari Pada","Mononuclear complexes and a coordination polymer of the 2-pyridylamino (NH2Py) functionalized P(v) ligand","RSC Advances","2014","4","51","26902","","10.1039/c4ra02258k","","","0.71073","MoKα","","0.0844","0.0493","","","0.0909","0.1007","","","","","","1.029","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216739","19.3666","0.0012","19.3666","0.0012","25.514","0.003","90","","90","","90","","9569.4","1.4","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 N8 Ni O4 P2 -","- C20 H20 N8 Ni O4 P2 -","- C320 H320 N128 Ni16 O64 P32 -","16","0.5","","Pal, Souvik; Jana, Partha P.; Nayek, Hari Pada","Mononuclear complexes and a coordination polymer of the 2-pyridylamino (NH2Py) functionalized P(v) ligand","RSC Advances","2014","4","51","26902","","10.1039/c4ra02258k","","","0.71073","MoKα","","0.1345","0.0721","","","0.15","0.1768","","","","","","1.033","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216740","19.4697","0.0009","19.4697","0.0009","25.782","0.002","90","","90","","90","","9773.2","1","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 Co N8 O4 P2 -","- C20 H20 Co N8 O4 P2 -","- C320 H320 Co16 N128 O64 P32 -","16","0.5","","Pal, Souvik; Jana, Partha P.; Nayek, Hari Pada","Mononuclear complexes and a coordination polymer of the 2-pyridylamino (NH2Py) functionalized P(v) ligand","RSC Advances","2014","4","51","26902","","10.1039/c4ra02258k","","","0.71073","MoKα","","0.2323","0.098","","","0.0836","0.1044","","","","","","0.996","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216741","16.155","0.0007","9.501","0.0005","19.157","0.0009","90","","90","","90","","2940.4","0.2","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C20 H20 Cl5 Cu2 N8 O4 P -","- C20 H20 Cl5 Cu2 N8 O4 P -","- C80 H80 Cl20 Cu8 N32 O16 P4 -","4","1","","Pal, Souvik; Jana, Partha P.; Nayek, Hari Pada","Mononuclear complexes and a coordination polymer of the 2-pyridylamino (NH2Py) functionalized P(v) ligand","RSC Advances","2014","4","51","26902","","10.1039/c4ra02258k","","","0.71073","MoKα","","0.0947","0.0603","","","0.1213","0.1357","","","","","","1.016","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216742","5.0503","0.0002","18.9742","0.0007","13.6338","0.0005","90","","97.537","0.002","90","","1295.18","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Cl F6 N4 O3 -","- C8 H5 Cl F6 N4 O3 -","- C32 H20 Cl4 F24 N16 O12 -","4","1","","Leung, Franco King-Chi; Cui, Jian-Fang; Hui, Tsz-Wai; Zhou, Zhong-Yuan; Wong, Man-Kin","Hydrogen bond donor‒acceptor‒donor organocatalysis for conjugate addition of benzylidene barbiturates via complementary DAD‒ADA hydrogen bonding","RSC Advances","2014","4","51","26748","","10.1039/c4ra04020a","","","0.71073","MoKα","","0.1034","0.0771","","","0.1938","0.2172","","","","","","1.001","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216743","13.688","0.0007","13.6891","0.0007","6.0821","0.0003","90","","90","","90","","1139.64","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Gd Ge3 H2 K3 O10 -","- Gd Ge3 H2 K3 O10 -","- Gd4 Ge12 H8 K12 O40 -","4","0.5","","Liu, Wei; yang, min; Ji, Ying; Liu, Fuyang; Wang, Ying; Wang, Xiaofeng; Zhao, Xudong; Liu, Xiaoyang","High-Temperature, High-Pressure Hydrothermal Synthesis, Crystal Structure and Photoluminescent Properties of K3[Gd1-xTbxGe3O8(OH)2] ( x = 0, 0.3, 0.1, 1 )","RSC Advances","2014","","","","","10.1039/c4ra03048f","","","0.71073","MoKα","","0.0193","0.0181","","","0.0774","0.0798","","","","","","0.721","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216744","13.6552","0.0015","13.6541","0.0015","6.0595","0.0006","90","","90","","90","","1129.8","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ge3 H2 K3 O10 Tb -","- Ge3 H2 K3 O10 Tb -","- Ge12 H8 K12 O40 Tb4 -","4","0.5","","Liu, Wei; yang, min; Ji, Ying; Liu, Fuyang; Wang, Ying; Wang, Xiaofeng; Zhao, Xudong; Liu, Xiaoyang","High-Temperature, High-Pressure Hydrothermal Synthesis, Crystal Structure and Photoluminescent Properties of K3[Gd1-xTbxGe3O8(OH)2] ( x = 0, 0.3, 0.1, 1 )","RSC Advances","2014","","","","","10.1039/c4ra03048f","","","0.71073","MoKα","","0.0195","0.0186","","","0.0439","0.0444","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216745","12.905","0.003","24.536","0.005","12.31","0.003","90","","90.12","0.03","90","","3897.8","1.5","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H58 Al Cl5 Mg2 O6 -","- C28 H58 Al Cl5 Mg2 O6 -","- C112 H232 Al4 Cl20 Mg8 O24 -","4","1","","Zhao-Karger, Zhirong; Mueller, Jonathan E.; Zhao, Xiangyu; Fuhr, Olaf; Jacob, Timo; Fichtner, Maximilian","Novel transmetalation reaction for electrolyte synthesis for rechargeable magnesium batteries","RSC Advances","2014","4","51","26924","","10.1039/c4ra03867c","","","0.71073","MoKα","","0.1413","0.0878","","","0.2213","0.2686","","","","","","0.932","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216746","10.3321","0.0007","7.5712","0.0007","14.2704","0.0011","90","","110.807","0.005","90","","1043.52","0.15","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl4 Mg2 O6 -","- C12 H28 Cl4 Mg2 O6 -","- C24 H56 Cl8 Mg4 O12 -","2","0.5","","Zhao-Karger, Zhirong; Mueller, Jonathan E.; Zhao, Xiangyu; Fuhr, Olaf; Jacob, Timo; Fichtner, Maximilian","Novel transmetalation reaction for electrolyte synthesis for rechargeable magnesium batteries","RSC Advances","2014","4","51","26924","","10.1039/c4ra03867c","","x-ray","0.71073","MoKα","","0.0507","0.0306","","","0.0558","0.0593","","","","","","0.858","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216747","9.804","0.003","10.912","0.004","20.446","0.006","100.683","0.012","92.766","0.009","91.801","0.011","2145.1","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 Cd2 Eu2 N6 O28 -","- C28 H48 Cd2 Eu2 N6 O28 -","- C56 H96 Cd4 Eu4 N12 O56 -","2","1","","Liu, Qi; Wan, Fang; Qiu, Li-Xia; Sun, Yan-Qiong; Chen, Yi-Ping","Four 2D Ln‒Cd heterometal‒organic coordination polymers based on tetranuclear Ln‒Cd oxo-cluster with highly selective luminescent sensing of organic molecules and metal cations","RSC Advances","2014","4","51","27013","","10.1039/c4ra02953d","","","0.71073","MoKα","","0.0315","0.0267","","","0.0661","0.068","","","","","","1.007","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216748","9.779","0.002","10.868","0.002","20.395","0.004","100.77","0.03","92.74","0.03","91.79","0.03","2125.1","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 Cd2 Gd2 N6 O28 -","- C28 H44 Cd2 Gd2 N6 O28 -","- C56 H88 Cd4 Gd4 N12 O56 -","2","1","","Liu, Qi; Wan, Fang; Qiu, Li-Xia; Sun, Yan-Qiong; Chen, Yi-Ping","Four 2D Ln‒Cd heterometal‒organic coordination polymers based on tetranuclear Ln‒Cd oxo-cluster with highly selective luminescent sensing of organic molecules and metal cations","RSC Advances","2014","4","51","27013","","10.1039/c4ra02953d","","","0.71073","MoKα","","0.063","0.0433","","","0.1109","0.1237","","","","","","0.946","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216749","8.6545","0.0017","9.07","0.0018","15.407","0.003","98.47","0.03","101.37","0.03","103.33","0.03","1129.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H48 Cd3 Cl2 Eu2 N6 O26 -","- C28 H48 Cd3 Cl2 Eu2 N6 O26 -","- C28 H48 Cd3 Cl2 Eu2 N6 O26 -","1","0.5","","Liu, Qi; Wan, Fang; Qiu, Li-Xia; Sun, Yan-Qiong; Chen, Yi-Ping","Four 2D Ln‒Cd heterometal‒organic coordination polymers based on tetranuclear Ln‒Cd oxo-cluster with highly selective luminescent sensing of organic molecules and metal cations","RSC Advances","2014","4","51","27013","","10.1039/c4ra02953d","","","0.71073","MoKα","","0.0317","0.0298","","","0.0661","0.0671","","","","","","1.111","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216750","8.6521","0.0017","9.0758","0.0018","15.422","0.003","98.43","0.03","101.51","0.03","103.4","0.03","1130.5","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H48 Cd3 Cl2 N6 O26 Sm2 -","- C28 H48 Cd3 Cl2 N6 O26 Sm2 -","- C28 H48 Cd3 Cl2 N6 O26 Sm2 -","1","0.5","","Liu, Qi; Wan, Fang; Qiu, Li-Xia; Sun, Yan-Qiong; Chen, Yi-Ping","Four 2D Ln‒Cd heterometal‒organic coordination polymers based on tetranuclear Ln‒Cd oxo-cluster with highly selective luminescent sensing of organic molecules and metal cations","RSC Advances","2014","4","51","27013","","10.1039/c4ra02953d","","","0.71073","MoKα","","0.0277","0.0243","","","0.0798","0.0864","","","","","","1.223","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216751","11.63","0.003","8.2273","0.0018","16.079","0.004","90","","99.008","0.004","90","","1519.5","0.6","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl N Sb -","- C15 H17 Cl N Sb -","- C60 H68 Cl4 N4 Sb4 -","4","1","","Copolovici, Dana; Isaia, Francesco; Breunig, Hans J.; Raţ, Ciprian I.; Silvestru, Cristian","Palladium(ii) complexes with chiral organoantimony(iii) ligands. Solution behaviour and solid state structures","RSC Advances","2014","4","51","26569","","10.1039/c4ra03482a","","","0.71073","MoKα","","0.0377","0.0302","","","0.0607","0.0634","","","","","","1.046","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216752","8.8686","0.0006","16.5093","0.0012","17.0131","0.0012","90","","97.937","0.001","90","","2467.1","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 N Sb -","- C27 H34 N Sb -","- C108 H136 N4 Sb4 -","4","1","","Copolovici, Dana; Isaia, Francesco; Breunig, Hans J.; Raţ, Ciprian I.; Silvestru, Cristian","Palladium(ii) complexes with chiral organoantimony(iii) ligands. Solution behaviour and solid state structures","RSC Advances","2014","4","51","26569","","10.1039/c4ra03482a","","","0.71073","MoKα","","0.0528","0.0472","","","0.1012","0.1038","","","","","","1.174","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216753","8.7797","0.0009","10.3772","0.0011","15.8911","0.0017","98.954","0.002","102.05","0.002","96.987","0.002","1380.7","0.3","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 Cl4 N2 Pd Sb -","- C24 H31 Cl4 N2 Pd Sb -","- C48 H62 Cl8 N4 Pd2 Sb2 -","2","1","","Copolovici, Dana; Isaia, Francesco; Breunig, Hans J.; Raţ, Ciprian I.; Silvestru, Cristian","Palladium(ii) complexes with chiral organoantimony(iii) ligands. Solution behaviour and solid state structures","RSC Advances","2014","4","51","26569","","10.1039/c4ra03482a","","","0.71073","MoKα","","0.0797","0.0648","","","0.1129","0.1175","","","","","","1.249","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216754","9.3725","0.0007","23.1231","0.0018","12.9278","0.001","90","","107.679","0.001","90","","2669.4","0.4","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Cl2 N Pd Sb -","- C27 H34 Cl2 N Pd Sb -","- C108 H136 Cl8 N4 Pd4 Sb4 -","4","1","","Copolovici, Dana; Isaia, Francesco; Breunig, Hans J.; Raţ, Ciprian I.; Silvestru, Cristian","Palladium(ii) complexes with chiral organoantimony(iii) ligands. Solution behaviour and solid state structures","RSC Advances","2014","4","51","26569","","10.1039/c4ra03482a","","","0.71073","MoKα","","0.0433","0.0384","","","0.0818","0.0838","","","","","","1.137","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216755","13.478","0.004","11.259","0.004","15.046","0.003","90","","93.77","0.03","90","","2278.3","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cl4 Cu2 N4 O2 -","- C18 H26 Cl4 Cu2 N4 O2 -","- C72 H104 Cl16 Cu8 N16 O8 -","4","0.5","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties","CrystEngComm","2014","16","34","8027","","10.1039/C4CE01082E","","","0.71073","MoKα","","0.0586","0.0544","","","0.1409","0.1464","","","","","","1.039","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216756","9.2753","0.0006","22.6255","0.0017","13.334","0.0008","90","","110.287","0.002","90","","2624.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Cl Cu2 N7 O7 -","- C21 H30 Cl Cu2 N7 O7 -","- C84 H120 Cl4 Cu8 N28 O28 -","4","1","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties","CrystEngComm","2014","16","34","8027","","10.1039/C4CE01082E","","","0.71073","MoKα","","0.1638","0.0691","","","0.1434","0.2025","","","","","","1.024","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216757","4.4013","0.0009","8.2656","0.0017","12.976","0.003","82.02","0.03","87","0.03","79.24","0.03","459.1","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cl2 Cu2 N4 O2 -","- C14 H22 Cl2 Cu2 N4 O2 -","- C14 H22 Cl2 Cu2 N4 O2 -","1","0.5","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties","CrystEngComm","2014","16","34","8027","","10.1039/C4CE01082E","","","0.71073","MoKα","","0.0447","0.0382","","","0.098","0.1037","","","","","","1.086","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216758","13.095","0.005","13.001","0.005","13.439","0.005","90","","106.17","0.01","90","","2197.5","1.4","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cu2 N10 O2 -","- C18 H22 Cu2 N10 O2 -","- C72 H88 Cu8 N40 O8 -","4","1","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties","CrystEngComm","2014","16","34","8027","","10.1039/C4CE01082E","","","0.710747","MoKα","","0.0996","0.0668","","","0.1691","0.1844","","","","","","1.008","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216759","11.7941","0.0017","10.9501","0.0016","22.359","0.003","90","","90","","90","","2887.6","0.7","298","","298","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Cr4 Gd4 Mo24 O139.92 -","- Cr4 Gd4 Mo24 O139.92 -","- Cr4 Gd4 Mo24 O139.92 -","1","0.25","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0286","0.0284","","","0.0647","0.0648","","","","","","1.19","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216760","23.459","0.007","13.337","0.004","24.725","0.008","90","","102.957","0.005","90","","7539","4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cr Gd Mo6 N2 O36 -","- C12 H10 Cr Gd Mo6 N2 O36 -","- C96 H80 Cr8 Gd8 Mo48 N16 O288 -","8","1","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0678","0.0635","","","0.1183","0.1202","","","","","","1.322","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216761","18.389","0.002","12.5427","0.0014","17.963","0.002","90","","104.117","0.002","90","","4018","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cr Mo6 N2 O38 Tb -","- C12 H10 Cr Mo6 N2 O38 Tb -","- C48 H40 Cr4 Mo24 N8 O152 Tb4 -","4","0.5","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0329","0.0313","","","0.0878","0.0972","","","","","","1.297","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216762","18.4316","0.0014","12.5601","0.001","17.9491","0.0014","90","","104.3","0.001","90","","4026.5","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cr Mo6 N2 O38 Sm -","- C12 H10 Cr Mo6 N2 O38 Sm -","- C48 H40 Cr4 Mo24 N8 O152 Sm4 -","4","0.5","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0376","0.0323","","","0.0785","0.081","","","","","","1.04","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216763","6.1664","0.0003","23.5787","0.0009","20.6871","0.0007","90","","99.961","0.001","90","","2962.5","0.2","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N2 O3 -","- C33 H36 N2 O3 -","- C132 H144 N8 O12 -","4","1","","Cole, Jacqueline M.; Low, Kian Sing; Ozoe, Hiroaki; Stathi, Panagiota; Kitamura, Chitoshi; Kurata, Hiroyuki; Rudolf, Petra; Kawase, Takeshi","Data mining with molecular design rules identifies new class of dyes for dye-sensitised solar cells.","Physical chemistry chemical physics : PCCP","2014","16","48","26684","26690","10.1039/c4cp02645d","","x-ray","0.71073","MoKα","","0.1492","0.0823","","","0.2219","0.3128","","","","","","1.136","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216764","13.2544","0.0002","13.2544","0.0002","15.6722","0.0004","90","","90","","120","","2384.41","0.08","293","2","293","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C3.42 H0 Al2 F2 Mn0.56 N0 O11.84 P3 -","- C3.44 Al2 F2 Mn0.56 O11.8363 P3 -","- C20.64 Al12 F12 Mn3.36 O71.018 P18 -","6","0.5","","Liu, Hao; Tian, Zhijian; Gies, H.; Wei, Ying; Marler, Bernd; Wang, Lei; Wang, Yasong; Li, Dawei","Mn2+ Cation-Directed Ionothermal Synthesis of an Open-Framework Fluorinated Aluminium Phosphite-Phosphate","RSC Advances","2014","","","","","10.1039/c4ra05350h","","","0.71073","MoKα","","0.0607","0.0471","","","0.1202","0.1277","","","","","","1.262","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216765","13.208","0.0002","14.389","0.0002","16.8169","0.0002","90","","90","","90","","3196.05","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N4 S -","- C18 H18 N4 S -","- C144 H144 N32 S8 -","8","2","","Afraj, Shakil N.; Chen, Chinpiao; Lee, Gene-Hsian","Manganese(ii) chloride catalyzed highly efficient one-pot synthesis of propargylamines and fused triazoles via three-component coupling reaction under solvent-free condition","RSC Advances","2014","4","50","26301","","10.1039/c4ra03232b","","","0.71073","MoKα","","0.0718","0.04","","","0.0905","0.1053","","","","","","1.023","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216766","10.3314","0.0015","12.3196","0.0018","19.042","0.003","106.785","0.003","93.694","0.003","94.284","0.003","2304.5","0.6","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 Cu N3 O5 -","- C10 H6.5 Cu N3 O5 -","- C80 H52 Cu8 N24 O40 -","8","4","","Liao, Shengyun; Li, Tianhao; Tian, Jin-Lei; Yang, Linyan; Gu, Wen; Liu, Xin","Strong Antiferromagnetic Interaction in a 3D Copper-Organic Framework and Spin-glass-like Behaviour in a 1D Nickel Compound","RSC Advances","2014","","","","","10.1039/c4ra02942a","","","0.71075","MoKα","","0.0947","0.068","","","0.178","0.1958","","","","","","1.118","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216767","6.958","0.002","10.909","0.004","11.877","0.004","82.523","0.01","82.286","0.01","71.561","0.009","843.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 N6 Ni3 O26 -","- C22 H36 N6 Ni3 O26 -","- C22 H36 N6 Ni3 O26 -","1","0.5","","Liao, Shengyun; Li, Tianhao; Tian, Jin-Lei; Yang, Linyan; Gu, Wen; Liu, Xin","Strong Antiferromagnetic Interaction in a 3D Copper-Organic Framework and Spin-glass-like Behaviour in a 1D Nickel Compound","RSC Advances","2014","","","","","10.1039/c4ra02942a","","","0.71075","MoKα","","0.0701","0.055","","","0.1225","0.1298","","","","","","1.116","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216768","13.99","0.003","5.86","0.0012","9.6157","0.0019","90","","111.68","0.03","90","","732.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- K6 Mo2 O14 P2 -","- K6 Mo2 O14 P2 -","- K12 Mo4 O28 P4 -","2","0.25","","Luo, Siyang; Kang, Lei; Lin, Zheshuai; Chen, Chuangtian","K3MoPO7: the first molybdenum phosphate with edge-sharing MoO6 octahedra and PO4 tetrahedra","RSC Advances","2014","4","52","27122","","10.1039/c4ra03612c","","","0.71073","MoKα","","0.0311","0.029","","","0.0776","0.079","","","","","","1.064","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216769","9.961","0.005","17.323","0.004","10.814","0.005","90","","94.871","0.005","90","","1859.3","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","coordination Polymer","","","- C18 H16 N4 O6 S Zn -","- C18 H12 N4 O6 S Zn -","- C72 H48 N16 O24 S4 Zn4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.074","0.0527","","","0.1315","0.1822","","","","","","1.118","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216770","10.1448","0.0012","11.9933","0.0014","13.9849","0.0016","90","","90","","90","","1701.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Coordination polymer","","","- C18 H12 Co N4 O4 S -","- C18 H12 Co N4 O4 S -","- C72 H48 Co4 N16 O16 S4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.0439","0.0372","","","0.084","0.0908","","","","","","1.097","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216771","7.2476","0.0006","17.4087","0.0015","15.9969","0.0014","90","","90.364","0.002","90","","2018.3","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","coordination polymer","","","- C19 H14 Co N4 O7 S -","- C19 H12 Co N4 O7 S -","- C76 H48 Co4 N16 O28 S4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.1036","0.068","","","0.1669","0.1904","","","","","","1.032","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216772","7.2709","0.0015","17.234","0.003","16.173","0.003","90","","90.215","0.004","90","","2026.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","coordination Polymer","","","- C19 H14 N4 O7 S Zn -","- C19 H12 N4 O7 S Zn -","- C76 H48 N16 O28 S4 Zn4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.1077","0.0738","","","0.1935","0.2412","","","","","","1.084","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216773","28.205","0.006","12.181","0.002","15.442","0.003","90","","108.09","0.03","90","","5043.1","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Coordination polymer","","","- C24 H20 Co N4 O7 S -","- C24 H16 Co N4 O5 S -","- C192 H128 Co8 N32 O40 S8 -","8","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.0549","0.0431","","","0.1155","0.1334","","","","","","1.091","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216774","28.266","0.006","12.094","0.002","15.364","0.003","90","","107.51","0.03","90","","5008.8","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Coordination polymer","","","- C24 H20 N4 O7 S Zn -","- C24 H16 N4 O5 S Zn -","- C192 H128 N32 O40 S8 Zn8 -","8","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.0874","0.0529","","","0.1108","0.1207","","","","","","0.98","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216775","9.611","0.004","10.082","0.005","18.355","0.005","80.514","0.005","85.412","0.003","82.853","0.005","1737.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Coordination polymer","","","- C36 H26 Mn2 N8 O9 S2 -","- C36 H26 Mn2 N8 O9 S2 -","- C72 H52 Mn4 N16 O18 S4 -","2","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71069","MoKα","","0.0751","0.0529","","","0.1219","0.1419","","","","","","1.072","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216776","37.8858","0.0015","13.3212","0.0006","15.7766","0.0006","90","","101.541","0.002","90","","7801.2","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 Cl3 N5 O5 S -","- C41 H35 Cl3 N5 O5 S -","- C328 H280 Cl24 N40 O40 S8 -","8","2","","Chadha, Renu; Bhandari, Swati; Haneef, Jamshed; Khullar, Sadhika; Mandal, Sanjay","Cocrystals of telmisartan: characterization, structure elucidation, in vivo and toxicity studies","CrystEngComm","2014","16","36","8375","","10.1039/C4CE00797B","","","0.71073","MoKα","","0.178","0.063","","","0.1372","0.1738","","","","","","0.846","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216777","8.7267","0.0018","21.838","0.006","8.408","0.003","90","","118.243","0.008","90","","1411.6","0.7","293.15","","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Isopropanol","","- C3 H8 O -","- C3 H8 O -","- C48 H128 O16 -","16","4","","Ridout, Joe; Probert, Michael R.","Low-temperature and high-pressure polymorphs of isopropyl alcohol","CrystEngComm","2014","16","32","7397","","10.1039/C4CE01012D","","x-ray","0.56087","AgKα","K-L~3~","0.1056","0.0585","","","0.1183","0.1429","","","","","","1.109","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216778","6.542","0.003","13.415","0.014","14.469","0.011","90","","99.79","0.02","90","","1251.3","1.7","180","","180","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Isopropanol","","- C3 H8 O -","- C3 H8 O -","- C36 H96 O12 -","12","3","","Ridout, Joe; Probert, Michael R.","Low-temperature and high-pressure polymorphs of isopropyl alcohol","CrystEngComm","2014","16","32","7397","","10.1039/C4CE01012D","","x-ray","0.71073","MoKα","K-L~3~","0.0718","0.0468","","","0.109","0.1231","","","","","","1.002","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216779","15.5703","0.0004","26.9767","0.0007","25.2494","0.0007","90","","96.332","0.001","90","","10540.9","0.5","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H128 Fe2 N4 O44 Ti17 -","- C72 H128 Fe2 N4 O44 Ti17 -","- C288 H512 Fe8 N16 O176 Ti68 -","4","1","","Jarzembska, Katarzyna N.; Chen, Yang; Nasca, Justin N.; Trzop, Elżbieta; Watson, David F.; Coppens, Philip","Relating structure and photoelectrochemical properties: electron injection by structurally and theoretically characterized transition metal-doped phenanthroline-polyoxotitanate nanoparticles.","Physical chemistry chemical physics : PCCP","2014","16","30","15792","15795","10.1039/c4cp02509a","","","0.71073","MoKα","","0.1357","0.065","","","0.0782","0.0881","","","","2.28","2.28","1.77","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216780","8.5065","0.0015","10.2176","0.0017","13.709","0.003","103.84","0.005","98.515","0.005","109.034","0.004","1060","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Methylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)- 7-(trifluoromethyl)quinoline","","- C23 H20 F3 N5 O -","- C23 H20 F3 N5 O -","- C46 H40 F6 N10 O2 -","2","1","","Isloor, Arun M.; achar, Garuda; Kulal, Ananda; Fun, Hoong Kun; N, Satyanarayan M","Synthesis, characterization and antimicrobial studies of some new trifluoromethyl quinoline-3-carbohydrazide and 1,3,4-oxadiazoles","RSC Advances","2014","","","","","10.1039/c4ra04456h","","","0.71073","MoKα","","0.0969","0.0614","","","0.1815","0.2312","","","","","","1.035","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216781","9.3497","0.0003","9.916","0.0004","12.4927","0.0004","93.291","0.002","111.275","0.001","91.89","0.002","1075.7","0.07","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H16 Cl2 F8 N2 O2 Pd -","- C18 H16 Cl2 F8 N2 O2 Pd -","- C36 H32 Cl4 F16 N4 O4 Pd2 -","2","1","","Lu, Norman; Lin, Kwan-Yu; Kung, Chih-Chieh; Jhuo, Jyun-Wei; Zhou, Yingjie; Liu, Jingjing; Sun, Luyi","Intercalated polyfluorinated Pd complexes in α-zirconium phosphate for Sonogashira and Heck reactions","RSC Advances","2014","4","52","27329","","10.1039/c4ra01830c","","","0.71073","MoKα","","0.0398","0.0323","","","0.086","0.0976","","","","","","1.119","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216782","19.299","","6.62","","14.534","","90","","102.77","","90","","1810.93","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 O7 S -","- C15 H16 N4 O7 S -","- C60 H64 N16 O28 S4 -","4","1","","Tiwari, Karishma; Mishra, Monika; Singh, Vinod P.","8(E)-4-[{2-(2,4-dinitrophenyl)hydrazono}benzene-1,3-diol] as a solvatochromic Schiff base and chromogenic signaling of water content by its deprotonated form in acetonitrile","RSC Advances","2014","4","52","27556","","10.1039/c4ra03249g","","","0.71073","MoKα","","0.1691","0.0694","","","0.1294","0.1759","","","","","","0.994","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7216783","5.5171","0.0015","8.125","0.002","10.508","0.003","99.439","0.003","104.41","0.004","94.54","0.003","446.5","0.2","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H19 N O4 S -","- C20 H19 N O4 S -","- C20 H19 N O4 S -","1","1","","Zhao, Bo-Liang; Du, Da-Ming","Catalytic asymmetric conjugate addition of various α-mercaptoketones to α,β-unsaturated N-acylated oxazolidin-2-ones with bifunctional organocatalyst","RSC Advances","2014","4","52","27346","","10.1039/c4ra02400a","","","0.71073","MoKα","","0.0307","0.0288","","","0.0624","0.063","","","","","","1","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7216784","8.9553","0.0013","9.957","0.0014","12.2938","0.0017","107.762","0.002","97.915","0.002","98.959","0.002","1011","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 F N3 O4 -","- C20 H25 F N3 O4 -","- C40 H50 F2 N6 O8 -","2","1","","Liu, Jin; Zhang, Hai-Rui; Lin, Xin-Rong; Yan, Sheng-Jiao; Lin, Jun","Catalyst-free cascade reaction of heterocyclic ketene aminals with N-substituted maleimide to synthesise bicyclic pyrrolidinone derivatives","RSC Advances","2014","4","52","27582","","10.1039/c4ra03863k","","","0.71073","MoKα","","0.1158","0.0723","","","0.2002","0.2346","","","","","","1.299","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216785","26.4001","0.0012","8.6506","0.0004","16.5796","0.0008","90","","115.898","0.001","90","","3406.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 Ni O7 -","- C14 H18 N2 Ni O7 -","- C112 H144 N16 Ni8 O56 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0308","0.0255","","","0.0663","0.0694","","","","","","1.036","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216786","17.3192","0.0014","14.3739","0.0012","23.819","0.002","90","","90","","90","","5929.6","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N4 Ni2 O9 -","- C28 H26 N4 Ni2 O9 -","- C224 H208 N32 Ni16 O72 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.068","0.0344","","","0.0677","0.0799","","","","","","1.025","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216787","13.7216","0.0012","7.2942","0.0006","16.2528","0.0014","90","","92.989","0.001","90","","1624.5","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cl2 N2 Ni O4 -","- C14 H14 Cl2 N2 Ni O4 -","- C56 H56 Cl8 N8 Ni4 O16 -","4","0.5","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0376","0.0351","","","0.0974","0.0996","","","","","","1.061","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216788","11.761","0.004","16.623","0.005","13.751","0.003","90","","123.915","0.019","90","","2231","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cd2 N2 O14 S -","- C14 H24 Cd2 N2 O14 S -","- C56 H96 Cd8 N8 O56 S4 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0903","0.0781","","","0.2097","0.2295","","","","","","1.037","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216789","7.5497","0.0009","8.1071","0.001","12.7747","0.0016","108.251","0.002","92.214","0.002","100.358","0.002","726.67","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cd N2 O5 -","- C14 H14 Cd N2 O5 -","- C28 H28 Cd2 N4 O10 -","2","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0277","0.0235","","","0.0541","0.0563","","","","","","1.047","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216790","26.521","0.002","8.8621","0.0007","16.7474","0.0013","90","","117.78","0.001","90","","3482.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cu N2 O7 -","- C14 H18 Cu N2 O7 -","- C112 H144 Cu8 N16 O56 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0443","0.0346","","","0.0894","0.0955","","","","","","1.042","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216791","26.42","0.002","8.6861","0.0007","16.7178","0.0013","90","","115.668","0.001","90","","3457.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Co N2 O7 -","- C14 H18 Co N2 O7 -","- C112 H144 Co8 N16 O56 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0289","0.0247","","","0.0657","0.0687","","","","","","1.061","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216792","10.0704","0.0005","10.189","0.0005","7.1745","0.0004","90","","101.797","0.001","90","","720.61","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Mn N2 O6 -","- C14 H16 Mn N2 O6 -","- C28 H32 Mn2 N4 O12 -","2","0.5","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.024","0.023","","","0.0632","0.0639","","","","","","1.099","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216793","12.912","0.002","9.1366","0.0016","14.7843","0.0017","90","","122.411","0.009","90","","1472.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O4 Pb -","- C14 H12 N2 O4 Pb -","- C56 H48 N8 O16 Pb4 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0378","0.03","","","0.0743","0.0794","","","","","","1.017","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216794","28.732","0.0001","13.5996","0.0001","17.575","0.0001","90","","90","","90","","6867.32","0.07","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H24 Cl Mn0.5 N4 -","- C33 H24 Cl Mn0.5 N4 -","- C264 H192 Cl8 Mn4 N32 -","8","1","","Hua, Carol; D'Alessandro, Deanna M.","A Mn(ii) coordination framework incorporating the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand (NPy3): electrochemical and spectral properties","CrystEngComm","2014","16","28","6331","","10.1039/c3ce42603c","","","1.54178","CuKα","","0.0371","0.0342","","","0.0896","0.0941","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216795","15.9628","0.0009","15.9628","0.0009","14.4867","0.0016","90","","90","","120","","3196.8","0.4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C4 H12 N8 Ni O8 V2 -","- C4 H12 N8 Ni O8 V2 -","- C36 H108 N72 Ni9 O72 V18 -","9","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0687","0.0523","","","0.1532","0.1633","","","","","","1.074","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216796","9.7732","0.0006","10.5394","0.0006","11.4624","0.0007","105.693","0.001","91.6","0.001","114.386","0.001","1022.05","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 N24 Ni3 O22 V6 -","- C12 H32 N24 Ni3 O22 V6 -","- C12 H32 N24 Ni3 O22 V6 -","1","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0348","0.0293","","","0.0797","0.0822","","","","","","1.02","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216797","9.8432","0.0007","10.5655","0.0007","11.5289","0.0008","105.811","0.001","91.594","0.001","114.252","0.001","1038.38","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 Co3 N24 O22 V6 -","- C12 H32 Co3 N24 O22 V6 -","- C12 H32 Co3 N24 O22 V6 -","1","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0507","0.0402","","","0.1094","0.1143","","","","","","1.04","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216798","9.844","0.0005","10.5676","0.0005","11.543","0.0006","105.887","0.001","91.797","0.001","114.183","0.001","1039.38","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 N24 O22 V6 Zn3 -","- C12 H32 N24 O22 V6 Zn3 -","- C12 H32 N24 O22 V6 Zn3 -","1","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0285","0.0273","","","0.1072","0.1092","","","","","","1.001","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216799","24.8443","0.0007","12.8836","0.0004","15.0538","0.0005","90","","96.709","0.003","90","","4785.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H47 Ce2 N3 O21 -","- C33 H23 Ce2 N O17 -","- C132 H92 Ce8 N4 O68 -","4","0.5","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0456","0.0343","","","0.0962","0.1011","","","","","","1.047","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216800","24.7168","0.0007","13.0121","0.0004","14.9778","0.0005","90","","96.682","0.003","90","","4784.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H47 N3 O21 Pr2 -","- C33 H23 N O17 Pr2 -","- C132 H92 N4 O68 Pr8 -","4","0.5","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0484","0.0344","","","0.0958","0.1019","","","","","","1.061","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216801","24.5711","0.0007","13.2963","0.0004","14.7313","0.0005","90","","96.735","0.003","90","","4779.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H47 Eu2 N3 O21 -","- C33 H23 Eu2 N O17 -","- C132 H92 Eu8 N4 O68 -","4","0.5","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.068","0.0488","","","0.132","0.1476","","","","","","1.074","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216802","20.2686","0.0003","18.9736","0.0002","27.9855","0.0004","90","","107.632","0.001","90","","10256.7","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H48.5 La2 N2.5 O20 -","- C40 H38.5 La2 N2.5 O20.5 -","- C320 H308 La16 N20 O164 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.1005","0.0819","","","0.2049","0.2214","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216803","19.8953","0.0003","18.6848","0.0002","27.9037","0.0004","90","","107.266","0.001","90","","9905.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H48.5 N2.5 O20 Sm2 -","- C40 H38.5 N2.5 O20.5 Sm2 -","- C320 H308 N20 O164 Sm16 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0527","0.0359","","","0.0825","0.0933","","","","","","1.077","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216804","19.8267","0.0003","18.6253","0.0002","27.8685","0.0004","90","","107.1","0.001","90","","9836.3","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H48.5 Eu2 N2.5 O20 -","- C40 H38.5 Eu2 N2.5 O20.5 -","- C320 H308 Eu16 N20 O164 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0859","0.0636","","","0.1451","0.1611","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216805","19.7427","0.0003","18.433","0.0002","27.8981","0.0004","90","","107.333","0.001","90","","9691.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H48.5 N2.5 O20 Tb2 -","- C40 H38.5 N2.5 O21.5 Tb2 -","- C320 H308 N20 O172 Tb16 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0754","0.0609","","","0.1556","0.1681","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216806","24.8112","0.0008","13.7461","0.0004","13.6627","0.0004","90","","99.153","0.003","90","","4600.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 O9 S2 Sm -","- C18.542 H17.626 O8 S1.771 Sm -","- C148.336 H141.008 O64 S14.168 Sm8 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0471","0.0399","","","0.1111","0.1162","","","","","","1.086","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216807","24.8718","0.0008","13.7591","0.0004","13.6832","0.0004","90","","98.949","0.003","90","","4625.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Nd O9 S2 -","- C18.56 H17.68 Nd O8 S1.78 -","- C148.48 H141.44 Nd8 O64 S14.24 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0446","0.0379","","","0.1085","0.1136","","","","","","1.093","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216808","36.0605","0.0019","5.2677","0.0002","19.4061","0.001","90","","113.793","0.007","90","","3373","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Co2 N10 O12 -","- C32 H32 Co2 N10 O12 -","- C128 H128 Co8 N40 O48 -","4","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0358","0.0309","","","0.0743","0.0772","","","","","","1.06","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216809","36.364","0.002","5.3141","0.0003","19.5932","0.0011","90","","113.105","0.009","90","","3482.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Mn2 N10 O12 -","- C32 H32 Mn2 N10 O12 -","- C128 H128 Mn8 N40 O48 -","4","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0556","0.0382","","","0.0819","0.0896","","","","","","1.023","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216810","8.9623","0.0013","10.1747","0.0011","12.1422","0.001","100.966","0.009","110.157","0.011","103.494","0.011","965.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Mn2 N12 O10 -","- C36 H38 Mn2 N12 O10 -","- C36 H38 Mn2 N12 O10 -","1","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0504","0.0372","","","0.0781","0.0857","","","","","","1.062","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216811","9.2436","0.0005","11.0384","0.0005","22.7044","0.0009","91.226","0.004","91.585","0.004","113.366","0.005","2124.51","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N10 Ni2 O16 -","- C32 H34 N10 Ni2 O16 -","- C64 H68 N20 Ni4 O32 -","2","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0876","0.062","","","0.1687","0.1915","","","","","","1.037","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216812","11.5342","0.0008","20.5261","0.0012","19.3153","0.0013","90","","126.053","0.005","90","","3697.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cu2 N10 O13 -","- C32 H30 Cu2 N10 O13 -","- C128 H120 Cu8 N40 O52 -","4","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.1123","0.0589","","","0.1016","0.1244","","","","","","1.03","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216813","13.5928","0.0009","8.7066","0.0005","18.2172","0.001","90","","94.9","0.006","90","","2148.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Cu2 N12 O14 -","- C36 H46 Cu2 N12 O14 -","- C72 H92 Cu4 N24 O28 -","2","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0958","0.0553","","","0.1","0.117","","","","","","1.024","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216814","9.7409","0.0014","10.3056","0.0016","11.2358","0.0018","116.914","0.016","96.328","0.013","109.365","0.014","902.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N10 O14 Zn2 -","- C32 H36 N10 O14 Zn2 -","- C32 H36 N10 O14 Zn2 -","1","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0875","0.0526","","","0.0769","0.0917","","","","","","1.048","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216815","18.574","0.001","11.8625","0.0006","16.8934","0.0008","90","","112.071","0.006","90","","3449.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N10 O11 Zn2 -","- C32 H28 N10 O11 Zn2 -","- C128 H112 N40 O44 Zn8 -","4","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0789","0.0472","","","0.0909","0.1058","","","","","","1.018","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216816","26.713","0.003","10.186","0.0006","26.764","0.003","90","","114.765","0.012","90","","6612.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H50 N9 O15 Zn4 -","- C71 H50 N9 O15 Zn4 -","- C284 H200 N36 O60 Zn16 -","4","1","","Du, Peng; Yang, Yan; Kang, Da-Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Four cluster-containing highly connected coordination networks: syntheses, structures, and properties","CrystEngComm","2014","16","28","6372","","10.1039/c4ce00098f","","","0.71069","MoKα","","0.1439","0.0693","","","0.1325","0.1653","","","","","","0.993","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216817","10.491","0.0005","14.442","0.0008","15.738","0.0009","97.903","0.004","107.597","0.005","95.036","0.004","2230.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H72 N6 O34 Zn8 -","- C96 H72 N6 O34 Zn8 -","- C96 H72 N6 O34 Zn8 -","1","0.5","","Du, Peng; Yang, Yan; Kang, Da-Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Four cluster-containing highly connected coordination networks: syntheses, structures, and properties","CrystEngComm","2014","16","28","6372","","10.1039/c4ce00098f","","","0.71069","MoKα","","0.0467","0.036","","","0.0809","0.0889","","","","","","1.038","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216818","10.412","0.0003","14.861","0.0006","15.616","0.0006","103.206","0.003","92.815","0.003","97.125","0.003","2326.73","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H74 Cd8 N2 O37 -","- C98 H72 Cd8 N2 O37 -","- C98 H72 Cd8 N2 O37 -","1","0.5","","Du, Peng; Yang, Yan; Kang, Da-Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Four cluster-containing highly connected coordination networks: syntheses, structures, and properties","CrystEngComm","2014","16","28","6372","","10.1039/c4ce00098f","","","0.71069","MoKα","","0.0385","0.028","","","0.0596","0.0642","","","","","","1.027","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216819","11.014","0.005","13.17","0.005","14.773","0.0008","88.002","0.004","83.199","0.004","86.478","0.003","2123","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H70 Cd5 N24 O22 -","- C84 H58 Cd5 N24 O22 -","- C84 H58 Cd5 N24 O22 -","1","0.5","","Du, Peng; Yang, Yan; Kang, Da-Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Four cluster-containing highly connected coordination networks: syntheses, structures, and properties","CrystEngComm","2014","16","28","6372","","10.1039/c4ce00098f","","","0.71069","MoKα","","0.042","0.0324","","","0.0743","0.0801","","","","","","1.033","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216820","10.9347","0.0006","12.6382","0.0007","12.7232","0.0007","61.42","0.001","66.901","0.001","68.104","0.001","1382.4","0.13","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 F N4 O6 -","- C30 H32 F N4 O6 -","- C60 H64 F2 N8 O12 -","2","1","","Zhang, Tingting; Yang, Yan; Zhao, Xiaojun; Jia, Jiangtao; Su, Hongmin; He, Hongming; Gu, Jingkai; Zhu, Guangshan","Dissolution and pharmacokinetic properties of two paliperidone cocrystals with 4-hydroxybenzoic and 4-aminobenzoic acid","CrystEngComm","2014","16","33","7667","","10.1039/C4CE00784K","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","209037","2020-10-21","18:00:00",""
"7216821","10.9374","0.0007","12.6162","0.0008","12.7201","0.0008","61.396","0.001","66.853","0.001","68.137","0.001","1379.57","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 F N5 O5 -","- C30 H33 F N5 O5 -","- C60 H66 F2 N10 O10 -","2","1","","Zhang, Tingting; Yang, Yan; Zhao, Xiaojun; Jia, Jiangtao; Su, Hongmin; He, Hongming; Gu, Jingkai; Zhu, Guangshan","Dissolution and pharmacokinetic properties of two paliperidone cocrystals with 4-hydroxybenzoic and 4-aminobenzoic acid","CrystEngComm","2014","16","33","7667","","10.1039/C4CE00784K","","","0.71073","MoKα","","0.0673","0.0549","","","0.1494","0.1577","","","","","","1.068","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216822","18.006","0.001","15.3229","0.0009","20.969","0.001","90","","90","","90","","5785.4","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25.5 H26 I N9 O3.5 Zn -","- C25.5 H12 I N9 O3.5 Zn -","- C204 H96 I8 N72 O28 Zn8 -","8","2","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.71073","MoKα","","0.1367","0.0931","","","0.2607","0.2969","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216823","26.47","0.02","15.79","0.01","13.591","0.009","90","","105.64","0.02","90","","5470","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cl0.5 I0.5 N9 O8 Zn -","- C22 H14 Cl0.5 I0.5 N9 O8 Zn -","- C176 H112 Cl4 I4 N72 O64 Zn8 -","8","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.71073","MoKα","","0.0913","0.0598","","","0.1471","0.1635","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216824","15.4187","0.0002","12.4644","0.0002","21.6037","0.0003","90","","90.208","0.001","90","","4151.88","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 I N9 O5 Zn -","- C42 H27 I N9 O5 Zn -","- C168 H108 I4 N36 O20 Zn4 -","4","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.68898","synchrotron","","0.1326","0.1162","","","0.3266","0.3389","","","","","","0.933","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216825","21.5","0.011","21.5","0.011","22.454","0.012","90","","90","","90","","10379","9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54.5 H52 I N9 O7.5 Zn -","- C54.5 H37 I N9 O7.5 Zn -","- C436 H296 I8 N72 O60 Zn8 -","8","2","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.71073","MoKα","","0.1357","0.089","","","0.2329","0.2519","","","","","","0.983","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216826","44.006","0.001","44.006","0.001","28.267","0.001","90","","90","","120","","47406","2","85","2","85","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C40 H46 I N11 O10 Zn -","- C40 H22 I N11 O10 Zn -","- C1440 H792 I36 N396 O360 Zn36 -","36","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.689","synchrotron","","0.161","0.124","","","0.3556","0.3849","","","","","","1.365","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216827","15.1138","0.0001","18.5709","0.0001","15.6792","0.0001","90","","117.212","0.002","90","","3913.71","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 I N12 O Zn -","- C41 H34.5 I N12 O Zn -","- C164 H138 I4 N48 O4 Zn4 -","4","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.68899","synchrotron","","0.0752","0.0657","","","0.1794","0.1873","","","","","","1.054","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216828","23.1344","0.0002","14.7104","0.0001","26.8906","0.0003","90","","110.411","0.0003","90","","8576.72","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H83 I6 N23 O11 Zn4 -","- C65 H72 I6 N23 O11 Zn4 -","- C260 H288 I24 N92 O44 Zn16 -","4","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.75002","synchrotron","","0.0831","0.0663","","","0.176","0.1878","","","","","","1.051","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216829","7.0884","0.0003","7.715","0.0002","11.634","0.0005","80.755","0.003","78.037","0.004","83.455","0.003","612.18","0.04","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","bis-1,2,3-Triamino-2,4,6-triazinium ethylenetriaminetetraacetate diaqua","","- C16 H32 N14 O10 -","- C16 H32 N14 O10 -","- C16 H32 N14 O10 -","1","0.5","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","0.71073","MoKα","","0.0655","0.0339","","","0.0832","0.0892","","","","","","0.897","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216830","7.4296","0.0006","12.3333","0.0011","11.9384","0.0011","90","","114.07","0.006","90","","998.81","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Melamine DMSO solvate","","- C5 H12 N6 O S -","- C5 H12 N6 O S -","- C20 H48 N24 O4 S4 -","4","1","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","0.71073","MoKα","","0.0662","0.0386","","","0.0774","0.0868","","","","","","1.063","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216831","18.041","0.002","10.6373","0.0014","14.289","0.002","90","","103.652","0.014","90","","2664.7","0.6","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dimelaminium sulfate","","- C6 H14 N12 O4 S -","- C6 H14 N12 O4 S -","- C48 H112 N96 O32 S8 -","8","1","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","0.71073","MoKα","","0.2244","0.0493","","","0.0745","0.0972","","","","","","0.771","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216832","7.771","0.0014","9.8924","0.0018","12.186","0.002","90","","101.198","0.009","90","","919","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","melaminium dinitrate","","- C3 H8 N8 O6 -","- C3 H8 N8 O6 -","- C12 H32 N32 O24 -","4","1","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","1.54178","CuKα","","0.3022","0.0335","","","0.0905","0.1046","","","","","","1.049","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216833","14.3308","0.0008","16.2228","0.001","13.1104","0.001","90","","109.388","0.007","90","","2875.1","0.3","150.15","","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tri-theobromine melamine","","- C24 H30 N18 O6 -","- C24 H30 N18 O6 -","- C96 H120 N72 O24 -","4","0.5","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","1.54184","CuKα","","0.0839","0.0685","","","0.205","0.2244","","","","","","1.033","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216834","38.315","0.003","12.5251","0.001","29.193","0.002","90","","109.401","0.002","90","","13214.2","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ST318","","","- C60 H84.6 Cl2 Mn2 O12.3 S3.3 -","- C60 H81.6 Cl2 Mn2 O12.3 S3.3 -","- C480 H652.8 Cl16 Mn16 O98.4 S26.4 -","8","1","","Taylor, Stephanie M.; Frost, Jamie M.; McLellan, Ross; McIntosh, Ruaraidh D.; Brechin, Euan K.; Dalgarno, Scott J.","Assembly of a calix[4]arene-supported MnIIIMnIIcluster mediated by halogen interactions","CrystEngComm","2014","16","35","8098","","10.1039/C4CE00729H","","","0.71073","MoKα","","0.1447","0.093","","","0.2335","0.2546","","","","","","1.575","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216835","11.9272","0.0015","13.954","0.003","20.185","0.002","90","","90","","90","","3359.4","0.9","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C14.7 H17.3 Cu0.5 N3.4 O3.9 -","- C10.5 H6.5 Cu0.5 N2 O2.5 -","- C84 H52 Cu4 N16 O20 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","MoKα","","0.2069","0.1268","","","0.3509","0.3829","","","","","","0.994","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216836","23.269","0.005","10.602","0.002","24.34","0.005","90","","111.28","0.03","90","","5595","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N5 O5 Zn -","- C21 H13 N4 O4 Zn -","- C168 H104 N32 O32 Zn8 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","synchrotron","","0.0767","0.0706","","","0.1961","0.2007","","","","","","1.088","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216837","23.324","0.003","10.2514","0.0006","25.426","0.002","90","","116.19","0.015","90","","5455.3","1.1","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26.25 H25.25 Cd N5.75 O5.75 -","- C21 H13 Cd N4 O4 -","- C168 H104 Cd8 N32 O32 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","MoKα","","0.0933","0.0619","","","0.1366","0.1476","","","","","","1.035","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216838","10.0477","0.0003","15.2023","0.001","22.6589","0.0007","90","","90","","90","","3461.1","0.3","109","2","109","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C13.5 H16.5 Co0.5 N3 O4.5 -","- C10.5 H9.5 Co0.5 N2 O3.5 -","- C84 H76 Co4 N16 O28 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","MoKα","","0.0755","0.0574","","","0.1698","0.1791","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216839","8.245","0.001","29.405","0.004","10.8415","0.0015","90","","108.285","0.006","90","","2495.7","0.6","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cu2 I2 N6 O2 -","- C22 H17 Cu2 I2 N6 O2 -","- C88 H68 Cu8 I8 N24 O8 -","4","1","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0449","0.0434","","","0.1446","0.1473","","","","","","1.206","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216840","8.4693","0.0006","14.305","0.001","15.7364","0.0014","90","","90","","90","","1906.5","0.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Cu N6 O2 -","- C22 H16 Cu N6 O2 -","- C88 H64 Cu4 N24 O8 -","4","0.5","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0396","0.0313","","","0.0745","0.0787","","","","","","1.102","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216841","11.639","0.0009","15.3802","0.0012","14.9492","0.0011","90","","99.34","0.0004","90","","2640.6","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cu2 I2 N7 O2 -","- C24 H20 Cu2 I2 N7 O2 -","- C96 H80 Cu8 I8 N28 O8 -","4","1","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0163","0.0161","","","0.0383","0.0384","","","","","","1.15","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216842","8.6202","0.0006","9.025","0.0006","9.257","0.0007","69.48","0.004","69.496","0.004","84.874","0.004","631.29","0.08","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H9 Cu I N3 O -","- C11 H9 Cu I N3 O -","- C22 H18 Cu2 I2 N6 O2 -","2","1","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0163","0.0154","","","0.0472","0.063","","","","","","1.397","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216843","12.6943","0.0003","32.7813","0.0007","24.8035","0.0005","90","","97.313","0.002","90","","10237.7","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H66 Cu8 I8 N15 O7 -","- C63 H66 Cu8 I8 N15 O7 -","- C252 H264 Cu32 I32 N60 O28 -","4","0.5","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0434","0.0364","","","0.0963","0.1006","","","","","","1.054","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216844","10.817","0.013","15.965","0.019","26.71","0.03","90","","112.31","0.04","90","","4267","9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Cd2 N4 O10 -","- C48 H32 Cd2 N4 O10 -","- C192 H128 Cd8 N16 O40 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.0565","0.0319","","","0.0497","0.0553","","","","","","1.17","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216845","8.804","0.009","14.094","0.015","20.83","0.02","70.715","0.013","86.903","0.013","88.517","0.013","2436","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Co2 N8 O13 -","- C52 H34 Co2 N8 O13 -","- C104 H68 Co4 N16 O26 -","2","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.0878","0.0575","","","0.1452","0.1674","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216846","13.226","0.008","19.61","0.013","23.292","0.015","90","","101.312","0.007","90","","5924","7","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H49 Mn3 N5 O20 -","- C57 H45 Mn3 N5 O20 -","- C228 H180 Mn12 N20 O80 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.0431","0.0399","","","0.1038","0.1067","","","","","","1.026","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216847","13.6","0.012","16.319","0.014","16.769","0.014","79.265","0.012","80.064","0.012","72.401","0.012","3458","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 Mn2 N8 O10 -","- C64 H44 Mn2 N8 O10 -","- C128 H88 Mn4 N16 O20 -","2","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.1164","0.0561","","","0.0931","0.1031","","","","","","0.991","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216848","8.5322","0.0017","22.025","0.008","15.088","0.003","90","","90","","90","","2835.4","1.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C64 H46 Co2 N8 O11 -","- C64 H44 Co2 N8 O11 -","- C128 H88 Co4 N16 O22 -","2","0.25","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.1238","0.1162","","","0.2665","0.2721","","","","","","1.237","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216849","12.268","0.003","14.467","0.003","17.269","0.004","89.58","0.03","75.03","0.03","77.58","0.03","2887.8","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H90 Co5 N6 O32 -","- C132 H90 Co5 N6 O32 -","- C132 H90 Co5 N6 O32 -","1","0.5","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.1203","0.0857","","","0.1844","0.2051","","","","","","1.128","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216850","11.624","0.002","13.395","0.003","21.378","0.004","108.23","0.03","96.32","0.03","103.03","0.03","3020.9","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H108 N10 Ni4 O29 -","- C126 H98 N10 Ni4 O29 -","- C126 H98 N10 Ni4 O29 -","1","0.5","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.116","0.0848","","","0.2499","0.2634","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216851","8.2996","0.0005","31.6381","0.0018","27.3595","0.0016","90","","95.45","0.001","90","","7151.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H12 Ag14 F30 N6 O20 -","- C48 H12 Ag14 F30 N6 O20 -","- C192 H48 Ag56 F120 N24 O80 -","4","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.0907","0.0804","","","0.1952","0.2043","","","","","","1.099","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216852","19.8943","0.0009","26.2204","0.0012","17.9454","0.0013","90","","119.636","0.001","90","","8136.4","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H16 Ag15 F30 N9 O23 -","- C56 H16 Ag15 F30 N9 O23 -","- C224 H64 Ag60 F120 N36 O92 -","4","0.5","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.0623","0.054","","","0.1477","0.1573","","","","","","1.07","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216853","6.9041","0.0005","18.7425","0.0016","22.4191","0.0019","90","","97.687","0.001","90","","2875","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 Ag6 F6 O13 -","- C22 H12 Ag6 F6 O13 -","- C88 H48 Ag24 F24 O52 -","4","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.0589","0.0483","","","0.1261","0.136","","","","","","1.022","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216854","18.999","0.003","17.422","0.002","8.2616","0.0011","90","","96.619","0.002","90","","2716.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H9 Ag6 F6 N O10 -","- C22 H9 Ag6 F6 N O10 -","- C88 H36 Ag24 F24 N4 O40 -","4","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.1126","0.0981","","","0.2317","0.2472","","","","","","1.077","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216855","8.2222","0.0007","16.2247","0.0014","16.4614","0.0014","93.275","0.002","95.797","0.001","97.895","0.001","2158.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Ag8 F12 N2 O16 -","- C26 H8 Ag8 F12 N2 O16 -","- C52 H16 Ag16 F24 N4 O32 -","2","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.1017","0.0901","","","0.2299","0.2435","","","","","","1.052","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216856","27.31","0.003","8.4645","0.0008","32.75","0.003","90","","109.776","0.002","90","","7124.2","1.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H20 Ag16 F18 N4 O24 -","- C56 H20 Ag16 F18 N4 O24 -","- C224 H80 Ag64 F72 N16 O96 -","4","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.1059","0.0854","","","0.2163","0.2364","","","","","","1.114","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216857","23.0358","0.0018","11.6305","0.0009","14.5521","0.0012","90","","114.492","0.001","90","","3548","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O6 Zn -","- C18 H14 N2 O6 Zn -","- C144 H112 N16 O48 Zn8 -","8","1","","Cui, Pei-Pei; Zhao, Yue; Lv, Gao-Chao; Liu, Qing; Zhao, Xiao-Liang; Lu, Yi; Sun, Wei-Yin","Synthesis, characterization and selective hysteretic sorption property of metal‒organic frameworks with 3,5-di(pyridine-4-yl)benzoate","CrystEngComm","2014","16","28","6300","","10.1039/c3ce42260g","","","0.71073","MoKα","","0.0458","0.0394","","","0.1135","0.1183","","","","","","1.034","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216858","15.0968","0.0014","23.363","0.002","16.7676","0.0016","90","","90","","90","","5914","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H22 Cd N4 O4 -","- C34 H22 Cd N4 O4 -","- C272 H176 Cd8 N32 O32 -","8","1","","Cui, Pei-Pei; Zhao, Yue; Lv, Gao-Chao; Liu, Qing; Zhao, Xiao-Liang; Lu, Yi; Sun, Wei-Yin","Synthesis, characterization and selective hysteretic sorption property of metal‒organic frameworks with 3,5-di(pyridine-4-yl)benzoate","CrystEngComm","2014","16","28","6300","","10.1039/c3ce42260g","","","0.71073","MoKα","","0.0613","0.0456","","","0.1353","0.1505","","","","","","1.053","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216859","18.601","0.003","13.5351","0.0019","14.0326","0.0019","90","","94.773","0.002","90","","3520.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Co N2 O5 -","- C21 H15 Co N2 O5 -","- C168 H120 Co8 N16 O40 -","8","1","","Cui, Pei-Pei; Zhao, Yue; Lv, Gao-Chao; Liu, Qing; Zhao, Xiao-Liang; Lu, Yi; Sun, Wei-Yin","Synthesis, characterization and selective hysteretic sorption property of metal‒organic frameworks with 3,5-di(pyridine-4-yl)benzoate","CrystEngComm","2014","16","28","6300","","10.1039/c3ce42260g","","","0.71073","MoKα","","0.1368","0.0512","","","0.1016","0.1307","","","","","","0.94","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216860","12.0792","0.0005","9.1171","0.0004","15.1341","0.0007","90","","90","","90","","1666.68","0.13","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H15 N4 O2 -","- C20 H14 N4 O2 -","- C80 H56 N16 O8 -","4","1","","Mukherjee, Manjira; Pal, Siddhartha; Sen, Buddhadeb; Lohar, Somenath; Banerjee, Samya; Banerjee, Snehasis; Chattopadhyay, Pabitra","Substituent effect on fluorescence signaling of the cell permeable HSO4− receptors through single point to ratiometric response in green solvent","RSC Advances","2014","4","53","27665","","10.1039/c4ra03551h","","","0.71073","MoKα","","0.0356","0.0302","","","0.0797","0.0847","","","","","","1.033","","","","has coordinates","194043","2020-10-21","18:00:00",""
"7216861","10.6696","0.0013","13.6752","0.0017","11.3635","0.0014","90","","102.968","0.006","90","","1615.7","0.3","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H45 O11 -","- C34 H45 O11 -","- C68 H90 O22 -","2","1","","Haldar, Saikat; Kolet, Swati P.; Dandekar, Devdutta S.; Kale, Balaji S.; Gonnade, Rajesh G.; Thulasiram, Hirekodathakallu V.","Biocatalyst mediated functionalization of salannin, an insecticidal limonoid","RSC Advances","2014","4","53","27661","","10.1039/c4ra04652h","","","0.71073","MoKα","","0.0752","0.0567","","","0.1369","0.151","","","","","","1.039","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216862","14.8357","0.0007","14.8357","0.0007","6.7854","0.0006","90","","90","","90","","1493.45","0.17","291","2","291","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32 H16 Ca4 F16 O24 -","- C32 H16 Ca4 F16 O24 -","- C32 H16 Ca4 F16 O24 -","1","0.125","","Chen, Sheng-Chun; Tian, Feng; Huang, Kun-Lin; Li, Cheng-Peng; Zhong, Jing; He, Ming-Yang; Zhang, Zhi-Hui; Wang, Hong-Ning; Du, Miao; Chen, Qun","Solvent-mediated assembly of chiral/achiral hydrophilic Ca(ii)-tetrafluoroterephthalate coordination frameworks: 3D chiral water aggregation, structural transformation and selective CO2adsorption","CrystEngComm","2014","16","33","7673","","10.1039/C4CE01019A","","","0.71073","MoKα","","0.056","0.0525","","","0.1281","0.1287","","","","","","1.042","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216863","10.95","0.02","17.7","0.03","7.843","0.015","90","","102.33","0.04","90","","1485","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ca F4 O6 -","- C10 H8 Ca F4 O6 -","- C40 H32 Ca4 F16 O24 -","4","0.5","","Chen, Sheng-Chun; Tian, Feng; Huang, Kun-Lin; Li, Cheng-Peng; Zhong, Jing; He, Ming-Yang; Zhang, Zhi-Hui; Wang, Hong-Ning; Du, Miao; Chen, Qun","Solvent-mediated assembly of chiral/achiral hydrophilic Ca(ii)-tetrafluoroterephthalate coordination frameworks: 3D chiral water aggregation, structural transformation and selective CO2adsorption","CrystEngComm","2014","16","33","7673","","10.1039/C4CE01019A","","","0.71073","MoKα","","0.0796","0.0639","","","0.1978","0.2168","","","","","","1.035","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216864","3.7395","0.0012","22.568","0.007","6.767","0.002","90","","93.286","0.006","90","","570.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H8 Ca F4 O8 -","- C8 H8 Ca F4 O8 -","- C16 H16 Ca2 F8 O16 -","2","0.5","","Chen, Sheng-Chun; Tian, Feng; Huang, Kun-Lin; Li, Cheng-Peng; Zhong, Jing; He, Ming-Yang; Zhang, Zhi-Hui; Wang, Hong-Ning; Du, Miao; Chen, Qun","Solvent-mediated assembly of chiral/achiral hydrophilic Ca(ii)-tetrafluoroterephthalate coordination frameworks: 3D chiral water aggregation, structural transformation and selective CO2adsorption","CrystEngComm","2014","16","33","7673","","10.1039/C4CE01019A","","","0.71073","MoKα","","0.0302","0.0298","","","0.0791","0.0794","","","","","","1.067","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216865","7.1747","0.0005","11.1258","0.0013","11.4017","0.0008","98.021","0.008","90.098","0.006","106.227","0.008","864.53","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Mo2 N3 Ni O7 -","- C15 H12 Mo2 N3 Ni O7 -","- C30 H24 Mo4 N6 Ni2 O14 -","2","1","","Liang, Ji-Lei; Lu, Yu-Kun; Zhao, Jin-chong; Li, Xue-Hui; Pan, Yuan; Wu, Meng-Meng; Liu, Yun-Qi; Liu, Chen-Guang","A novel POMos-based hybrid with penta-coordinated Mo in trigonal bipyramid: structure and an efficient precursor for hydrodesulfurization catalyst","RSC Advances","2014","4","53","27787","","10.1039/c4ra02696a","","","0.71073","MoKα","","0.0537","0.037","","","0.0833","0.0925","","","","","","1.021","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216994","8.7232","0.0006","7.1849","0.0006","8.8033","0.0005","90","","92.428","0.006","90","","551.25","0.07","298","","298","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- N4 S4 -","- N4 S4 -","- N16 S16 -","4","1","","Kumar, Baskaran Ganesh; Muralidharan, Krishnamurthi","S4N4 as an intermediate in Ag2S nanoparticle synthesis","RSC Advances","2014","4","54","28219","","10.1039/c4ra04339a","","","0.71073","MoKα","","0.0332","0.031","","","0.0786","0.0811","","","","","","1.092","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216995","12.9346","0.0004","21.7846","0.0008","4.7923","0.0002","90","","90","","90","","1350.35","0.09","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C6 H5 N3 S -","- C6 H5 N3 S -","- C48 H40 N24 S8 -","8","1","","Bashirov, Denis A.; Sukhikh, Taisiya S.; Kuratieva, Natalia V.; Chulanova, Elena A.; Yushina, Irina V.; Gritsan, Nina P.; Konchenko, Sergey N.; Zibarev, Andrey V.","Novel applications of functionalized 2,1,3-benzothiadiazoles for coordination chemistry and crystal engineering","RSC Advances","2014","4","54","28309","","10.1039/c4ra03342f","","x-ray","0.71073","MoKα","","0.0381","0.0352","","","0.1017","0.1043","","","","","","1.082","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216996","27.5548","0.0008","4.6491","0.0002","12.4548","0.0004","90","","102.699","0.001","90","","1556.49","0.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl2 N6 S2 Zn -","- C12 H10 Cl2 N6 S2 Zn -","- C48 H40 Cl8 N24 S8 Zn4 -","4","0.5","","Bashirov, Denis A.; Sukhikh, Taisiya S.; Kuratieva, Natalia V.; Chulanova, Elena A.; Yushina, Irina V.; Gritsan, Nina P.; Konchenko, Sergey N.; Zibarev, Andrey V.","Novel applications of functionalized 2,1,3-benzothiadiazoles for coordination chemistry and crystal engineering","RSC Advances","2014","4","54","28309","","10.1039/c4ra03342f","","x-ray","0.71073","MoKα","","0.0306","0.025","","","0.0618","0.064","","","","","","1.062","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216997","4.6171","0.0002","9.9885","0.0004","14.8728","0.0006","90","","98.403","0.001","90","","678.54","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 N3 O2 S -","- C6 H3 N3 O2 S -","- C24 H12 N12 O8 S4 -","4","1","","Bashirov, Denis A.; Sukhikh, Taisiya S.; Kuratieva, Natalia V.; Chulanova, Elena A.; Yushina, Irina V.; Gritsan, Nina P.; Konchenko, Sergey N.; Zibarev, Andrey V.","Novel applications of functionalized 2,1,3-benzothiadiazoles for coordination chemistry and crystal engineering","RSC Advances","2014","4","54","28309","","10.1039/c4ra03342f","","x-ray","0.71073","MoKα","","0.0368","0.0302","","","0.0806","0.0839","","","","","","1.062","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216998","7.4742","0.0002","8.3487","0.0003","11.8518","0.0004","82.88","0.002","79.48","0.002","69.068","0.001","677.74","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 N6 O2 S2 -","- C12 H8 N6 O2 S2 -","- C24 H16 N12 O4 S4 -","2","1","","Bashirov, Denis A.; Sukhikh, Taisiya S.; Kuratieva, Natalia V.; Chulanova, Elena A.; Yushina, Irina V.; Gritsan, Nina P.; Konchenko, Sergey N.; Zibarev, Andrey V.","Novel applications of functionalized 2,1,3-benzothiadiazoles for coordination chemistry and crystal engineering","RSC Advances","2014","4","54","28309","","10.1039/c4ra03342f","","x-ray","0.71073","MoKα","","0.0509","0.036","","","0.0879","0.0925","","","","","","1.032","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216999","19.0064","0.0019","24.517","0.002","4.6956","0.0005","90","","90","","90","","2188.1","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H16 Cd N0 O8 -","- C23 H16 Cd O8 -","- C92 H64 Cd4 O32 -","4","1","","zhang, xiutang; Fan, Liming; Song, Weikuo; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, Structures, and Luminescence Properties of Four Metal-Organic Polymers With Undocumented Topologies Constructed From 3,5-Bis((4'-carboxylbenzyl)oxy)benzoate Ligand","RSC Advances","2014","","","","","10.1039/c4ra04707a","","","0.71073","MoKα","","0.0778","0.068","","","0.2271","0.24","","","","","","1.002","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7217000","27.0432","0.0017","8.0754","0.0005","27.1949","0.0017","90","","90","","90","","5938.9","0.6","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H26 Cd N4 O8 -","- C35 H26 Cd N4 O8 -","- C280 H208 Cd8 N32 O64 -","8","1","","zhang, xiutang; Fan, Liming; Song, Weikuo; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, Structures, and Luminescence Properties of Four Metal-Organic Polymers With Undocumented Topologies Constructed From 3,5-Bis((4'-carboxylbenzyl)oxy)benzoate Ligand","RSC Advances","2014","","","","","10.1039/c4ra04707a","","","0.71073","MoKα","","0.0507","0.0309","","","0.0538","0.0577","","","","","","1.001","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217001","26.78","0.002","8.1675","0.0007","26.928","0.002","90","","90","","90","","5889.8","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H26 Mn N4 O8 -","- C35 H26 Mn N4 O8 -","- C280 H208 Mn8 N32 O64 -","8","1","","zhang, xiutang; Fan, Liming; Song, Weikuo; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, Structures, and Luminescence Properties of Four Metal-Organic Polymers With Undocumented Topologies Constructed From 3,5-Bis((4'-carboxylbenzyl)oxy)benzoate Ligand","RSC Advances","2014","","","","","10.1039/c4ra04707a","","","0.71073","MoKα","","0.0972","0.0488","","","0.0978","0.1088","","","","","","1.007","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217002","26.4977","0.0019","8.1948","0.0006","26.8556","0.0006","90","","90","","90","","5831.5","0.6","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H26 Fe N4 O8 -","- C35 H26 Fe N4 O8 -","- C280 H208 Fe8 N32 O64 -","8","1","","zhang, xiutang; Fan, Liming; Song, Weikuo; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, Structures, and Luminescence Properties of Four Metal-Organic Polymers With Undocumented Topologies Constructed From 3,5-Bis((4'-carboxylbenzyl)oxy)benzoate Ligand","RSC Advances","2014","","","","","10.1039/c4ra04707a","","","0.71073","MoKα","","0.0731","0.0406","","","0.0905","0.0984","","","","","","1.007","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217003","7.1492","0.0007","7.7691","0.0008","14.105","0.002","97.012","0.01","102.997","0.01","98.628","0.008","744.79","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N4 O2 S -","- C16 H14 N4 O2 S -","- C32 H28 N8 O4 S2 -","2","1","","Reddy, Alla Siva; Reddy, M. Nagarjuna; Swamy, K. C. Kumara","A simple copper-catalysed tandem cyclisation of ynamides leading to triazolo-1,2,4-benzothiadiazine-1,1-dioxides in PEG-400 medium","RSC Advances","2014","4","54","28359","","10.1039/c4ra03503h","","","0.71073","MoKα","","0.0493","0.0405","","","0.1092","0.1171","","","","","","1.05","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217004","8.0936","0.0011","21.469","0.003","6.2322","0.0008","90","","95.001","0.011","90","","1078.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O2 S -","- C10 H10 N4 O2 S -","- C40 H40 N16 O8 S4 -","4","1","","Reddy, Alla Siva; Reddy, M. Nagarjuna; Swamy, K. C. Kumara","A simple copper-catalysed tandem cyclisation of ynamides leading to triazolo-1,2,4-benzothiadiazine-1,1-dioxides in PEG-400 medium","RSC Advances","2014","4","54","28359","","10.1039/c4ra03503h","","","0.71073","MoKα","","0.0545","0.0442","","","0.1097","0.1167","","","","","","1.092","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217005","10.3978","0.0017","19.453","0.004","9.6211","0.0019","90","","97.179","0.016","90","","1930.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","1","","Reddy, Alla Siva; Reddy, M. Nagarjuna; Swamy, K. C. Kumara","A simple copper-catalysed tandem cyclisation of ynamides leading to triazolo-1,2,4-benzothiadiazine-1,1-dioxides in PEG-400 medium","RSC Advances","2014","4","54","28359","","10.1039/c4ra03503h","","","1.54184","CuKα","","0.1149","0.0622","","","0.1826","0.2664","","","","","","1.026","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217006","11.1975","0.0004","13.062","0.0004","18.1803","0.0008","80.332","0.001","86.953","0.001","89.764","0.001","2617.58","0.17","150","0.2","150","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H29 I14 K2 Mo6 N5 O3 -","- C16 H29 I14 K2 Mo6 N5 O3 -","- C32 H58 I28 K4 Mo12 N10 O6 -","2","1","","Elistratova, Julia; Mikhailov, Maxim; Burilov, Vladimir; Babaev, Vasily; Rizvanov, Ildar; Mustafina, Asiya; Abramov, Pavel; Sokolov, Maxim; Konovalov, Alexander; Fedin, Vladimir","Supramolecular assemblies of triblock copolymers with hexanuclear molybdenum clusters for sensing antibiotics in aqueous solutions via energy transfer","RSC Advances","2014","4","53","27922","","10.1039/c4ra02457e","","","0.71073","MoKα","","0.0607","0.041","","","0.0851","0.0927","","","","","","1.043","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217007","10.4798","0.0003","11.0059","0.0003","13.2185","0.0003","113.459","0.001","99.171","0.001","103.312","0.001","1306.09","0.06","150","0.2","150","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H34 I14 K2 Mo6 N2 O6 -","- C16 H34 I14 K2 Mo6 N2 O6 -","- C16 H34 I14 K2 Mo6 N2 O6 -","1","0.5","","Elistratova, Julia; Mikhailov, Maxim; Burilov, Vladimir; Babaev, Vasily; Rizvanov, Ildar; Mustafina, Asiya; Abramov, Pavel; Sokolov, Maxim; Konovalov, Alexander; Fedin, Vladimir","Supramolecular assemblies of triblock copolymers with hexanuclear molybdenum clusters for sensing antibiotics in aqueous solutions via energy transfer","RSC Advances","2014","4","53","27922","","10.1039/c4ra02457e","","","0.71073","MoKα","","0.0275","0.0231","","","0.0484","0.0498","","","","","","1.04","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217008","5.288","0.0001","31.171","0.002","11.312","0.001","90","","90.158","0.002","90","","1864.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11.5 Br0.5 N O2 -","- C9 H11.5 Br0.5 N O2 -","- C72 H92 Br4 N8 O16 -","8","4","","Surekha, R.; Gunaseelan, R.; Sagayaraj, P.; Ambujam, K.","l-Phenylalaninel-phenylalaninium bromide ‒ a new nonlinear optical material","CrystEngComm","2014","16","34","7979","","10.1039/C4CE00718B","","","0.71073","MoKα","","0.0799","0.0578","","","0.1379","0.1475","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217009","16.821","0.0006","16.821","0.0006","55.396","0.002","90","","90","","120","","13574.2","0.8","140","2","140","2","","","","","","","synthesis","6","R -3 c :H","-R 3 2""c","167","[Fe3La(tea)2(dpm)6]","","","- C78 H138 Fe3 La N2 O18 -","- C78 H138 Fe3 La N2 O18 -","- C468 H828 Fe18 La6 N12 O108 -","6","0.166667","","Rigamonti, Luca; Cornia, Andrea; Nava, Andrea; Perfetti, Mauro; Boulon, Marie-Emmanuelle; Barra, Anne-Laure; Zhong, Xiaoliang; Park, Kyungwha; Sessoli, Roberta","Mapping of single-site magnetic anisotropy tensors in weakly coupled spin clusters by torque magnetometry.","Physical chemistry chemical physics : PCCP","2014","16","32","17220","17230","10.1039/c4cp02462a","","","0.71073","MoKα","","0.0477","0.0375","","","0.101","0.1101","","","","","","1.075","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217010","13.399","0.0016","15.3179","0.0018","13.9012","0.0017","90","","90","","90","","2853.1","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C35 H38 N4 O2 -","- C35 H38 N4 O2 -","- C140 H152 N16 O8 -","4","1","","Biswal, Biswonath; Bag, Bamaprasad","Switching selectivity between Pb2+ and Hg+2 ions through variation of substituents at xanthene end; ‘turn-on’ signalling responses by FRET modulation","RSC Advances","2014","","","","","10.1039/c4ra04152f","","","0.71073","MoKα","","0.188","0.0882","","","0.1827","0.2291","","","","","","0.997","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217011","4.89","0.0001","13.3653","0.0004","15.1691","0.0004","90","","92.897","0.002","90","","990.13","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C40 H48 N8 O20 -","4","2","","Yu, Hongchuan; Schlegel, Mark K.; McLaughlin, Larry W.","The synthesis and structural characterization of both diastereomers of 5’-(hydroxymethyl)-6,5’-cyclo-2’,5’-dideoxyuridine cyclonucleosides","RSC Advances","2014","","","","","10.1039/c4ra04784b","","","0.71073","MoKα","","0.0328","0.0294","","","0.0713","0.0732","","","","","","1.044","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217012","7.8546","0.0006","5.0786","0.0004","12.4411","0.0009","90","","102.701","0.005","90","","484.14","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C20 H24 N4 O10 -","2","1","","Yu, Hongchuan; Schlegel, Mark K.; McLaughlin, Larry W.","The synthesis and structural characterization of both diastereomers of 5’-(hydroxymethyl)-6,5’-cyclo-2’,5’-dideoxyuridine cyclonucleosides","RSC Advances","2014","","","","","10.1039/c4ra04784b","","","1.54178","CuKα","","0.0297","0.0288","","","0.0755","0.0763","","","","","","1.063","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217013","12.9551","0.0002","11.293","0.00015","14.6992","0.0003","90","","115.648","0.002","90","","1938.63","0.06","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N3 -","- C26 H19 N3 -","- C104 H76 N12 -","4","1","","Percino, M. Judith; Cerón, Margarita; Soriano-Moro, Guillermo; Castro, M. Eugenia; Chapela, Víctor M.; Bonilla, José; Reyes-Reyes, Marisol; López-Sandoval, Román","The effect of the supramolecular network of (Z)-3-(4-(diphenylamino)phenyl)-2-(pyridin-2-yl)-acrylonitrile on the fluorescence behavior of a single crystal: experimental and theoretical studies","CrystEngComm","2014","16","36","8591","","10.1039/C4CE00327F","","","0.71073","MoKα","","0.0427","0.038","","","0.0972","0.1","","","","","","1.066","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217014","15.061","0.005","4.938","0.002","20.805","0.003","90","","130.93","0.02","90","","1169","0.7","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","1,3-bis(1-uracilyl)-propan-2-one","","- C11 H10 N4 O5 -","- C11 H10 N4 O5 -","- C44 H40 N16 O20 -","4","1","","Roviello, Giovanni N.; Roviello, Giuseppina; Musumeci, Domenica; Capasso, Domenica; Di Gaetano, Sonia; Costanzo, Michele; Pedone, Carlo","Synthesis and supramolecular assembly of 1,3-bis(1′-uracilyl)-2-propanone","RSC Advances","2014","4","54","28691","","10.1039/c4ra03713h","","","0.71073","MoKα","","0.1173","0.071","","","0.2209","0.2947","","","","","","1.114","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217015","9.2458","0.0009","10.3523","0.001","4.0389","0.0005","90","","90","","90","","386.58","0.07","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ba Cu2 S2 -","- Ba Cu2 S2 -","- Ba4 Cu8 S8 -","4","1","","Ma, Zhimin; Weng, Fan; Wang, Qiuran; Tang, Qun; Zhang, Ganghua; Chong, Zheng; Han, Ray P.S.; Huang, Fu Qiang","Low Temperature Synthesis and Structures of the Alkaline Earth Metal Chalcogenides Ba3Cu4SbS6OH, BaCuSbS3 and BaCu2S2","RSC Advances","2014","","","","","10.1039/c3ra46878j","","","0.71073","MoKα","","0.0354","0.0282","","","0.0671","0.072","","","","","","1.063","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217016","9.0609","0.0004","10.8497","0.0005","13.9398","0.0006","90","","90","","90","","1370.39","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba3 Cu4 O S6 Sb -","- Ba3 Cu4 O S6 Sb -","- Ba12 Cu16 O4 S24 Sb4 -","4","0.5","","Ma, Zhimin; Weng, Fan; Wang, Qiuran; Tang, Qun; Zhang, Ganghua; Chong, Zheng; Han, Ray P.S.; Huang, Fu Qiang","Low Temperature Synthesis and Structures of the Alkaline Earth Metal Chalcogenides Ba3Cu4SbS6OH, BaCuSbS3 and BaCu2S2","RSC Advances","2014","","","","","10.1039/c3ra46878j","","","0.71073","MoKα","","0.0805","0.0471","","","0.0819","0.0925","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217017","11.6427","0.0006","12.3716","0.0005","8.4326","0.0004","90","","90","","90","","1214.62","0.1","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ba Cu S3 Sb -","- Ba Cu S3 Sb -","- Ba8 Cu8 S24 Sb8 -","8","1","","Ma, Zhimin; Weng, Fan; Wang, Qiuran; Tang, Qun; Zhang, Ganghua; Chong, Zheng; Han, Ray P.S.; Huang, Fu Qiang","Low Temperature Synthesis and Structures of the Alkaline Earth Metal Chalcogenides Ba3Cu4SbS6OH, BaCuSbS3 and BaCu2S2","RSC Advances","2014","","","","","10.1039/c3ra46878j","","","0.71073","MoKα","","0.0694","0.0405","","","0.0584","0.0643","","","","","","0.946","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217018","5.7733","0.0009","12.2808","0.0019","12.979","0.002","90.46","0.004","94.633","0.004","102.396","0.004","895.5","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 Cl2 N O4 -","- C18 H17 Cl2 N O4 -","- C36 H34 Cl4 N2 O8 -","2","1","","Zhu, Hai-Liang; Qi, Jin-Liang; Jiang, Aiqin; Wang, YanTing; Qin, Yajuan; Zhang, YaLiang; Li, YuJing; Rao, Bing; Zhang, YanQing; Yang, MengRu","Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel Chalcone Oxime Derivatives as Potential Tubulin Polymerization Inhibitors","RSC Advances","2014","","","","","10.1039/c4ra03803g","","","0.71073","MoKα","","0.1765","0.0707","","","0.1122","0.1409","","","","","","1.002","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217019","10.2117","0.0011","12.3644","0.0011","12.8781","0.0011","93.1","0.003","96.848","0.003","90.294","0.003","1611.9","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","2","","Zhu, Hai-Liang; Qi, Jin-Liang; Jiang, Aiqin; Wang, YanTing; Qin, Yajuan; Zhang, YaLiang; Li, YuJing; Rao, Bing; Zhang, YanQing; Yang, MengRu","Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel Chalcone Oxime Derivatives as Potential Tubulin Polymerization Inhibitors","RSC Advances","2014","","","","","10.1039/c4ra03803g","","","0.71073","MoKα","","0.121","0.0557","","","0.1263","0.1526","","","","","","1.008","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217020","5.8593","0.0008","9.5104","0.0012","14.924","0.002","71.852","0.004","81.981","0.004","89.066","0.004","782.21","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Zhu, Hai-Liang; Qi, Jin-Liang; Jiang, Aiqin; Wang, YanTing; Qin, Yajuan; Zhang, YaLiang; Li, YuJing; Rao, Bing; Zhang, YanQing; Yang, MengRu","Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel Chalcone Oxime Derivatives as Potential Tubulin Polymerization Inhibitors","RSC Advances","2014","","","","","10.1039/c4ra03803g","","","0.71073","MoKα","","0.1838","0.1588","","","0.4646","0.4894","","","","","","2.07","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217021","5.8357","0.001","9.4747","0.0016","14.918","0.003","72.258","0.005","81.924","0.006","89.067","0.005","777.5","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O3 -","- C18 N O3 -","- C36 N2 O6 -","2","1","","Zhu, Hai-Liang; Qi, Jin-Liang; Jiang, Aiqin; Wang, YanTing; Qin, Yajuan; Zhang, YaLiang; Li, YuJing; Rao, Bing; Zhang, YanQing; Yang, MengRu","Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel Chalcone Oxime Derivatives as Potential Tubulin Polymerization Inhibitors","RSC Advances","2014","","","","","10.1039/c4ra03803g","","","0.71073","MoKα","","0.1703","0.1252","","","0.3787","0.4085","","","","","","1.537","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7217022","23.4276","0.0004","23.4276","0.0004","32.0967","0.0009","90","","90","","90","","17616.4","0.7","124.8","0.3","124.8","0.3","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C88 H207 As4 N13 O216 Re12 W44 -","- C88 H156 As4 N13 O216 Re12 W44 -","- C176 H312 As8 N26 O432 Re24 W88 -","2","0.25","","Zhang, Yanhui; Zhang, Dongdi; Huo, Zhiyuan; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","A monovacant heteropolytungstate-incorporated trimeric carbonyl rhenium cluster, [(AsW11O39){Re(CO)3}3(μ3-OH)(μ2-OH)]6−: synthesis, structure and catalytic properties","RSC Advances","2014","4","55","28848","","10.1039/c4ra03532a","","","0.71073","MoKα","","0.1079","0.0665","","","0.1355","0.1572","","","","","","1.054","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217023","9.6133","0.0002","45.6542","0.0012","10.5801","0.0003","90","","113.202","0.001","90","","4267.92","0.19","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H39 N4 Ni O8.5 P2 S4 -","- C38 H39 N4 Ni O8.5 P2 S4 -","- C152 H156 N16 Ni4 O34 P8 S16 -","4","2","","Crespo Alonso, M.; Arca, M.; Isaia, F.; Lai, R.; Lippolis, V.; Callear, S. K.; Caricato, M.; Pasini, D.; Coles, S. J.; Aragoni, M. C.","Stereospecific generation of homochiral helices in coordination polymers built from enantiopure binaphthyl-based ligands","CrystEngComm","2014","16","36","8582","","10.1039/C4CE01101E","","","0.71073","MoKα","","0.0894","0.0587","","","0.1199","0.1325","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217024","15.332","0.002","8.6055","0.001","34.795","0.004","90","","90","","90","","4590.8","1","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H46 N4 Ni O8 P2 S4 -","- C42 H46 N4 Ni O8 P2 S4 -","- C168 H184 N16 Ni4 O32 P8 S16 -","4","1","","Crespo Alonso, M.; Arca, M.; Isaia, F.; Lai, R.; Lippolis, V.; Callear, S. K.; Caricato, M.; Pasini, D.; Coles, S. J.; Aragoni, M. C.","Stereospecific generation of homochiral helices in coordination polymers built from enantiopure binaphthyl-based ligands","CrystEngComm","2014","16","36","8582","","10.1039/C4CE01101E","","","0.71073","MoKα","","0.2125","0.1495","","","0.2815","0.3147","","","","","","1.162","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217025","8.157","0.003","9.405","0.004","12.802","0.008","105.22","0.008","98.276","0.008","107.826","0.006","874.9","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1","","","- C20 H15 Co N4 O5 -","- C20 H15 Co N4 O5 -","- C40 H30 Co2 N8 O10 -","2","1","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.0429","0.0321","","","0.0718","0.0765","","","","","","1.082","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217026","8.1587","0.0009","9.3411","0.0012","12.7338","0.0012","105.254","0.002","98.139","0.002","107.777","0.002","865.17","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","2","","","- C20 H15 N4 Ni O5 -","- C20 H15 N4 Ni O5 -","- C40 H30 N8 Ni2 O10 -","2","1","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.1183","0.0592","","","0.1375","0.1717","","","","","","0.851","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217027","11.0648","0.0016","12.6093","0.0017","15.0869","0.0017","90","","119.371","0.008","90","","1834.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3","","","- C20 H17 Co N4 O6 -","- C20 H17 Co N4 O6 -","- C80 H68 Co4 N16 O24 -","4","1","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.077","0.0402","","","0.0722","0.0854","","","","","","1.011","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217028","24.343","0.009","12.291","0.004","18.868","0.008","90","","121.369","0.01","90","","4820","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4","","","- C40 H48 N12 Ni2 O15 -","- C40 H48 N12 Ni2 O15 -","- C160 H192 N48 Ni8 O60 -","4","0.5","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.1017","0.0583","","","0.1464","0.1743","","","","","","1.028","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217029","24.579","0.005","11.8337","0.0018","18.816","0.003","90","","121.09","0.005","90","","4686.7","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5","","","- C26 H20 N6 Ni O5 -","- C26 H20 N6 Ni O5 -","- C208 H160 N48 Ni8 O40 -","8","1","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.1322","0.0751","","","0.2206","0.2673","","","","","","0.997","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217030","10.4426","0.0006","12.0149","0.0007","21.139","0.0013","90","","90","","90","","2652.2","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N3 O7 -","- C30 H28 N3 O7 -","- C120 H112 N12 O28 -","4","1","","Sengoku, Tetsuya; Suzuki, Kosuke; Nakayama, Ken; Fumitoshi, Yagishita; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Novel chiral tetramic acid‒derived diols: organocatalytic facile synthesis and unique structural properties","RSC Advances","2014","","","","","10.1039/c4ra05405a","","","1.54178","CuKα","","0.1078","0.1071","","","0.2861","0.2866","","","","","","1.107","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217031","10.0111","0.0006","11.8131","0.0007","16.4284","0.0009","84.685","0.002","88.79","0.003","83.889","0.003","1923.39","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 F3 N2 O3.5 -","- C21 H20 F3 N2 O3.5 -","- C84 H80 F12 N8 O14 -","4","2","","Ramachandran, G.; Raman, A.; Easwaramoorthi, S.; Rathore, R. S.; Sathiyanarayanan, K.","Four component domino reaction for the synthesis of highly functionalized dimeric tetracyclic dilactam fluorophores: H-bond aided self-assembly","RSC Advances","2014","4","55","29276","","10.1039/c4ra03622k","","","0.71073","MoKα","","0.0864","0.0504","","","0.1296","0.1579","","","","","","1.006","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7217032","7.7413","0.0007","17.8726","0.0016","11.0065","0.001","90","","97.879","0.001","90","","1508.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfacetamide4-aminopyridineSalt","N-4-aminophenylsulfonylacetamidePyridine-4-amine","","- C13 H16 N4 O3 S -","- C13 H16 N4 O3 S -","- C52 H64 N16 O12 S4 -","4","1","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.0552","0.0496","","","0.1195","0.1226","","","","","","1.191","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217033","11.6469","0.0009","10.467","0.0006","12.4421","0.0009","90","","116.51","0.01","90","","1357.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sulfacetamide4,4'bipyridinecocrystal","N-4-aminophenylsulfonylacetamide4,4'bipyridine","","- C13 H14 N3 O3 S -","- C13 H14 N3 O3 S -","- C52 H56 N12 O12 S4 -","4","1","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.0501","0.0404","","","0.1059","0.1131","","","","","","1.035","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217034","7.1821","0.0006","30.43","0.003","8.8188","0.0007","90","","107.679","0.001","90","","1836.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SulfacetamideCaffeinecocrystal","N-4-aminophenylsulfonylacetamide3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione","","- C16 H20 N6 O5 S -","- C16 H20 N6 O5 S -","- C64 H80 N24 O20 S4 -","4","1","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.0464","0.0436","","","0.1138","0.1158","","","","","","1.074","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217035","10.7667","0.0004","9.7508","0.0004","21.1014","0.0007","90","","96.176","0.003","90","","2202.45","0.14","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SulfacetamideIsonicotinamidecocrystal","N-4-aminophenylsulfonylacetamidePyridine-4-carboxamide","","- C20 H22 N6 O5 S -","- C20 H22 N6 O5 S -","- C80 H88 N24 O20 S4 -","4","1","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.0545","0.0407","","","0.0963","0.1057","","","","","","1.065","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217036","8.664","0.0007","14.9675","0.0013","15.3632","0.0015","110.234","0.002","106.365","0.001","97.283","0.001","1737.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","SulfacetamideTheophyllinecocrystal","N-4-aminophenylsulfonylacetamide1,3-dimethyl-7H-purine-2,6-dione","","- C15 H18 N6 O5 S -","- C15 H18 N6 O5 S -","- C60 H72 N24 O20 S4 -","4","2","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.059","0.0505","","","0.1232","0.1297","","","","","","0.953","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217037","15.9288","0.0003","6.9261","0.0002","7.8324","0.0002","90","","90","","90","","864.11","0.04","170","2","170","2","","","","","","","","4","P n m a","-P 2ac 2n","62","1,1,3-trichloro-1H-isoindole","","","- C8 H4 Cl3 N -","- C8 H4 Cl3 N -","- C32 H16 Cl12 N4 -","4","0.5","","Ayhan, Mehmet Menaf; Zorlu, Yunus; Gökdemir, Özlem; Gürek, Ayşe Gül; Dumoulin, Fabienne; Ahsen, Vefa; Hirel, Catherine","Optimized synthesis and crystal growth by sublimation of 1,3,3-trichloroisoindolenines, key building blocks for crosswise phthalocyanines","CrystEngComm","2014","16","29","6556","","10.1039/c4ce00189c","","","0.71073","MoKα","","0.023","0.022","","","0.0615","0.0623","","","","","","1.172","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217038","7.8916","0.0007","7.1079","0.0007","9.4988","0.0011","90","","97.514","0.007","90","","528.24","0.09","299","2","299","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","1,1,3,4,5,6,7-heptachloro-1H-isoindole","","","- C8 H2 Cl5 N -","- C8 H2 Cl5 N -","- C16 H4 Cl10 N2 -","2","0.5","","Ayhan, Mehmet Menaf; Zorlu, Yunus; Gökdemir, Özlem; Gürek, Ayşe Gül; Dumoulin, Fabienne; Ahsen, Vefa; Hirel, Catherine","Optimized synthesis and crystal growth by sublimation of 1,3,3-trichloroisoindolenines, key building blocks for crosswise phthalocyanines","CrystEngComm","2014","16","29","6556","","10.1039/c4ce00189c","","","0.71073","MoKα","","0.0376","0.0322","","","0.0946","0.0984","","","","","","1.143","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217039","7.408","0.001","14.011","0.002","21.402","0.004","90","","90","","90","","2221.4","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","{[Cu2(Hsersal)2(H2O)].H2O}n","","","- C20 H26 Cu2 N2 O10 -","- C20 H26 Cu2 N2 O10 -","- C80 H104 Cu8 N8 O40 -","4","1","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0561","0.0415","","","0.0882","0.0954","","","","","","0.966","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217040","7.4137","0.0004","13.3645","0.0007","13.4407","0.0007","90","","103.816","0.002","90","","1293.18","0.12","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu2(Hser-5Cl-sal)2(H2O)].CH3OH","","","- C21 H26 Cl2 Cu2 N2 O10 -","- C21 H26 Cl2 Cu2 N2 O10 -","- C42 H52 Cl4 Cu4 N4 O20 -","2","1","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0213","0.0202","","","0.0408","0.041","","","","","","1.148","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217041","25.187","0.005","6.6672","0.0013","10.488","0.002","90","","100.653","0.011","90","","1730.9","0.6","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","[Cu2(4,4?-bpy)(Hsersal)2].2H2O","","","- C30 H34 Cu2 N4 O10 -","- C30 H30 Cu2 N4 O10 -","- C60 H60 Cu4 N8 O20 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0558","0.0524","","","0.1632","0.1657","","","","","","1.091","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217042","24.8013","0.0018","6.8049","0.0006","10.5081","0.0007","90","","100.988","0.004","90","","1740.9","0.2","180","2","180","2","","","","","","","","5","C 1 2 1","C 2y","5","[Cu2(4,4'-bpy)(Hser-5-OMe-sal)2].CH3OH","","","- C33 H38 Cu2 N4 O11 -","- C33 H37 Cu2 N4 O11 -","- C66 H74 Cu4 N8 O22 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0534","0.049","","","0.1434","0.1518","","","","","","1.098","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217043","23.4854","0.0018","6.8789","0.0005","13.6839","0.0011","90","","101.685","0.004","90","","2164.9","0.3","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","[Cu2(4,4'-bpy)(Hser-5-NO2-sal)2].3DMSO","","","- C36 H46 Cu2 N6 O15 S3 -","- C36 H40 Cu2 N6 O15 S3 -","- C72 H80 Cu4 N12 O30 S6 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0654","0.0494","","","0.1315","0.1451","","","","","","0.935","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217044","6.8225","0.0006","8.6115","0.0009","10.7203","0.0012","67.906","0.01","86.057","0.008","78.308","0.008","571.46","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F N2 O5 -","- C11 H9 F N2 O5 -","- C22 H18 F2 N4 O10 -","2","1","","Li, Song; Chen, Jia-Mei; Lu, Tong-Bu","Synthon polymorphs of 1 : 1 co-crystal of 5-fluorouracil and 4-hydroxybenzoic acid: their relative stability and solvent polarity dependence of grinding outcomes","CrystEngComm","2014","16","28","6450","","10.1039/c4ce00221k","","","1.54178","CuKα","","0.063","0.0456","","","0.1106","0.1266","","","","","","1.054","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217045","7.0356","0.0003","14.9022","0.0013","10.2665","0.0004","90","","99.418","0.004","90","","1061.89","0.11","150.02","0.11","150.02","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 F N2 O5 -","- C11 H9 F N2 O5 -","- C44 H36 F4 N8 O20 -","4","1","","Li, Song; Chen, Jia-Mei; Lu, Tong-Bu","Synthon polymorphs of 1 : 1 co-crystal of 5-fluorouracil and 4-hydroxybenzoic acid: their relative stability and solvent polarity dependence of grinding outcomes","CrystEngComm","2014","16","28","6450","","10.1039/c4ce00221k","","","1.54178","CuKα","","0.1014","0.0617","","","0.149","0.1844","","","","","","1.055","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217046","18.65","0.03","7.982","0.011","27.53","0.04","90","","109.469","0.016","90","","3864","10","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 Cd2 N4 O18 -","- C41 H32 Cd2 N4 O18 -","- C164 H128 Cd8 N16 O72 -","4","0.5","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.1269","0.0806","","","0.1987","0.2398","","","","","","1.064","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217047","10.3863","0.0012","12.9737","0.0015","10.8834","0.0013","90","","113.582","0.001","90","","1344.1","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Cd2 N4 O10 -","- C26 H24 Cd2 N4 O10 -","- C52 H48 Cd4 N8 O20 -","2","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.0191","0.0182","","","0.0388","0.0391","","","","","","1.032","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217048","11.128","0.005","14.055","0.006","22.979","0.01","90","","103.992","0.005","90","","3487","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cd2 N4 O13 -","- C30 H30 Cd2 N4 O13 -","- C120 H120 Cd8 N16 O52 -","4","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.0454","0.0305","","","0.064","0.0698","","","","","","1.028","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217049","17.246","0.006","17.018","0.006","10.945","0.004","90","","91.414","0.004","90","","3211","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cd N4 O9 -","- C36 H28 Cd N4 O9 -","- C144 H112 Cd4 N16 O36 -","4","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.0624","0.037","","","0.0665","0.0753","","","","","","1.021","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217050","13.3294","0.0017","16.202","0.002","20.283","0.003","90","","99.496","0.002","90","","4320.4","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Cd2 N6 O9 -","- C31 H20 Cd2 N6 O9 -","- C124 H80 Cd8 N24 O36 -","4","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.1021","0.059","","","0.1463","0.1622","","","","","","0.987","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217051","32.366","0.005","32.366","0.005","32.366","0.005","90","","90","","90","","33905","9","173","2","173","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C312 H176 N8 O148 Zn28 -","- C312 H120 O124 Zn28 -","- C312 H120 O124 Zn28 -","1","0.0208333","","Kim, Dongwook; Liu, Xinfang; Oh, Minhak; Song, Xiaokai; Zou, Yang; Singh, Devendra; Kim, Kwang S.; Lah, Myoung Soo","Isoreticular MOFs based on a rhombic dodecahedral MOP as a tertiary building unit","CrystEngComm","2014","16","28","6391","","10.1039/c4ce00017j","","","0.71073","MoKα","","0.3461","0.2841","","","0.5272","0.556","","","","","","1.693","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217052","31.102","0.004","31.102","0.004","31.102","0.004","90","","90","","90","","30086","7","100","2","100","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C288 H200 N32 O172 Zn28 -","- C288 H144 N24 O148 Zn28 -","- C288 H144 N24 O148 Zn28 -","1","0.0416667","","Kim, Dongwook; Liu, Xinfang; Oh, Minhak; Song, Xiaokai; Zou, Yang; Singh, Devendra; Kim, Kwang S.; Lah, Myoung Soo","Isoreticular MOFs based on a rhombic dodecahedral MOP as a tertiary building unit","CrystEngComm","2014","16","28","6391","","10.1039/c4ce00017j","","","1","synchrotron","","0.1366","0.1101","","","0.266","0.2876","","","","","","1.062","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7217053","7.8156","0.0008","10.3153","0.0017","20.747","0.002","101.272","0.011","100.209","0.008","97.106","0.012","1592.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Cu N2 O6 -","- C34 H38 Cu N2 O6 -","- C68 H76 Cu2 N4 O12 -","2","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0854","0.0467","","","0.1188","0.1336","","","","","","1.029","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217054","31.05","0.14","9.83","0.04","20.58","0.09","90","","101.19","0.08","90","","6162","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H76 Mn2 N4 O10 -","- C70 H76 Mn2 N4 O10 -","- C280 H304 Mn8 N16 O40 -","4","0.5","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0687","0.0577","","","0.1522","0.1628","","","","","","1.057","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217055","31.01","0.07","9.72","0.02","20.78","0.05","90","","101.99","0.03","90","","6127","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H76 N4 O12 Zn2 -","- C68 H76 N4 O12 Zn2 -","- C272 H304 N16 O48 Zn8 -","4","0.5","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0519","0.0479","","","0.1346","0.1456","","","","","","1.191","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217056","20.2631","0.0003","20.2631","0.0003","13.8155","0.0005","90","","90","","90","","5672.6","0.2","150","2","150","2","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H32 Mn N2 O5 -","- C32 H32 Mn N2 O5 -","- C256 H256 Mn8 N16 O40 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0319","0.0273","","","0.0614","0.0631","","","","","","1.019","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217057","20.572","0.0008","20.572","0.0014","13.725","0.002","90","","90","","90","","5808.5","1","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H32 Cu N2 O5 -","- C32 H32 Cu N2 O5 -","- C256 H256 Cu8 N16 O40 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.1035","0.0432","","","0.091","0.1063","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217058","12.0429","0.0009","11.3433","0.0005","14.8837","0.0007","90","","98.784","0.005","90","","2009.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H54 N2 O4 Zn -","- C42 H54 N2 O4 Zn -","- C84 H108 N4 O8 Zn2 -","2","0.25","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0504","0.0383","","","0.1023","0.1075","","","","","","1.064","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217059","13.211","0.008","11.69","0.007","14.445","0.009","90","","99.835","0.011","90","","2198","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Mn N2 O5 -","- C23 H26 Mn N2 O5 -","- C92 H104 Mn4 N8 O20 -","4","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71075","MoKα","","0.0954","0.0814","","","0.1557","0.1625","","","","","","1.194","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217060","28.204","0.0018","11.495","0.0015","15.042","0.0009","90","","114.001","0.005","90","","4455","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 N4 O9 S Zn2 -","- C46 H50 N4 O9 S Zn2 -","- C184 H200 N16 O36 S4 Zn8 -","4","0.5","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0561","0.0321","","","0.0793","0.0882","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217061","22.74","0.12","28.36","0.13","10.39","0.05","90","","101.66","0.08","90","","6562","6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N2 O8 P2 Zn -","- C34 H28 N2 O8 P2 Zn -","- C272 H224 N16 O64 P16 Zn8 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.1634","0.1326","","","0.3206","0.3494","","","","","","1.31","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217062","9.6304","0.0007","9.6386","0.0007","10.013","0.0007","85.443","0.001","72.785","0.001","72.761","0.001","847.89","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H21 N5 O14 S2 Sm2 -","- C34 H21 N5 O14 S2 Sm2 -","- C34 H21 N5 O14 S2 Sm2 -","1","0.5","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.028","0.0253","","","0.0607","0.0624","","","","","","1.038","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217063","10.551","0.002","10.62","0.002","15.094","0.004","74.956","0.018","69.597","0.011","72.234","0.011","1487.2","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Eu N5 O8 S2 -","- C31 H21 Eu N5 O8 S2 -","- C62 H42 Eu2 N10 O16 S4 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.0879","0.0568","","","0.128","0.1412","","","","","","1.083","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217064","10.544","0.0014","10.5785","0.0015","15.068","0.002","92.469","0.003","110.42","0.002","107.942","0.003","1476.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Gd N5 O8 S2 -","- C31 H21 Gd N5 O8 S2 -","- C62 H42 Gd2 N10 O16 S4 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.0827","0.0568","","","0.1091","0.1215","","","","","","1.012","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217065","10.5381","0.0014","10.5712","0.0013","15.041","0.002","75.114","0.004","69.497","0.002","72.006","0.002","1471.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 N5 O8 S2 Tb -","- C31 H21 N5 O8 S2 Tb -","- C62 H42 N10 O16 S4 Tb2 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.0875","0.0583","","","0.1155","0.1308","","","","","","0.999","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217066","10.542","0.003","10.561","0.003","14.961","0.004","75.527","0.006","69.711","0.006","71.721","0.006","1464.7","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Er N5 O8 S2 -","- C31 H21 Er N5 O8 S2 -","- C62 H42 Er2 N10 O16 S4 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.1437","0.0818","","","0.1494","0.1837","","","","","","0.956","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217067","10.5522","0.0009","10.5726","0.001","14.9134","0.0013","75.774","0.002","69.835","0.001","71.559","0.001","1464.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 N5 O8 S2 Yb -","- C31 H21 N5 O8 S2 Yb -","- C62 H42 N10 O16 S4 Yb2 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.0393","0.0333","","","0.0811","0.0849","","","","","","0.98","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217068","9.2918","0.0008","20.1508","0.0017","25.42","0.002","90","","90","","90","","4759.6","0.7","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cl2 O2 P2 Pd -","- C58 H54 Cl2 O2 P2 Pd -","- C232 H216 Cl8 O8 P8 Pd4 -","4","1","","Wang, Hui; Hu, Ruo Xin; Pang, Xue; Gao, Hai Yue; Jin, Wei Jun","The phosphorescent co-crystals of 1,4-diiodotetrafluorobenzene and bent 3-ring-N-heterocyclic hydrocarbons by C‒I⋯N and C‒I⋯π halogen bonds","CrystEngComm","2014","16","34","7942","","10.1039/C4CE00813H","","","0.71073","MoKα","","0.0297","0.0258","","","0.0599","0.0621","","","","","","1.015","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217069","9.7484","0.0007","19.9815","0.0015","25.907","0.0019","90","","90","","90","","5046.4","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H55 Cl O2 P2 Pd -","- C59 H55 Cl O2 P2 Pd -","- C236 H220 Cl4 O8 P8 Pd4 -","4","1","","Wang, Hui; Hu, Ruo Xin; Pang, Xue; Gao, Hai Yue; Jin, Wei Jun","The phosphorescent co-crystals of 1,4-diiodotetrafluorobenzene and bent 3-ring-N-heterocyclic hydrocarbons by C‒I⋯N and C‒I⋯π halogen bonds","CrystEngComm","2014","16","34","7942","","10.1039/C4CE00813H","","","0.71073","MoKα","","0.0349","0.0311","","","0.0744","0.0761","","","","","","1.036","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217070","11.3703","0.0005","18.4887","0.001","13.6456","0.0008","90","","113.629","0.003","90","","2628.1","0.2","143","2","416","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H55 Cl O8 P2 Pd -","- C56 H55 Cl O8 P2 Pd -","- C112 H110 Cl2 O16 P4 Pd2 -","2","1","","Wang, Hui; Hu, Ruo Xin; Pang, Xue; Gao, Hai Yue; Jin, Wei Jun","The phosphorescent co-crystals of 1,4-diiodotetrafluorobenzene and bent 3-ring-N-heterocyclic hydrocarbons by C‒I⋯N and C‒I⋯π halogen bonds","CrystEngComm","2014","16","34","7942","","10.1039/C4CE00813H","","","1.54178","CuKα","","0.1837","0.0896","","","0.2273","0.2672","","","","","","0.932","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217071","25.8844","0.0002","14.2964","0.0002","14.2795","0.0002","90","","122.98","0.01","90","","4432.7","0.5","298","2","298","","","","100","","","","","4","C 1 2 1","C 2y","5","Rifampicin","(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11- methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methylpiperazin-1-yl)imino] methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1 (28),2,4,9,19,21,25(29),26-octaen-13-yl acetate","","- C43 H58 N4 O12 -","- C43 H58 N4 O12 -","- C172 H232 N16 O48 -","4","1","","Ibiapino, Amanda Laura; Seiceira, Rafael Cardoso; Pitaluga, Altivo; Trindade, Antonio Carlos; Ferreira, Fabio Furlan","Structural characterization of form I of anhydrous rifampicin","CrystEngComm","2014","16","36","8555","","10.1039/C4CE01157K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.00847","0.01984","1.767","","","","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217072","7.5528","0.0003","12.8145","0.0004","28.2258","0.0009","90","","90","","90","","2731.84","0.16","112","4","112","4","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Cl N4 O -","- C15 H13 Cl N4 O -","- C120 H104 Cl8 N32 O8 -","8","1","","Dhanalakshmi, Pandi; Shanmugam, Sivakumar","Convenient one-pot multicomponent strategy for the synthesis of 6-pyrrolylpyrimidines","RSC Advances","2014","4","56","29493","","10.1039/c4ra02891k","","","0.7107","MoKα","","0.0463","0.0386","","","0.0924","0.0977","","","","","","1.073","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217073","11.7433","0.0005","12.0617","0.0005","13.2191","0.0006","105.995","0.001","90.835","0.001","117.259","0.001","1578.17","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Br2 F3 N2 O9 -","- C28 H27 Br2 F3 N2 O9 -","- C56 H54 Br4 F6 N4 O18 -","2","1","","Li, Jia; Shi, Wei; Yang, WenXin; Kang, ZhangPing; Zhang, Min; Song, LiPing","First synthesis of unexpected functionalized trifluoromethylated 8-oxa-2,4-diazaspiro[5.5]undecanes via one-pot MCRs","RSC Advances","2014","4","56","29549","","10.1039/c4ra03199g","","","0.71073","MoKα","","0.0565","0.0444","","","0.1056","0.1134","","","","","","1.066","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217074","21.9035","0.0006","14.5496","0.0004","27.9653","0.0006","90","","90","","90","","8912.2","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H41 Cd3 N3 O21 -","- C42 H41 Cd3 N3 O21 -","- C336 H328 Cd24 N24 O168 -","8","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0709","0.0492","","","0.1372","0.1608","","","","","","0.999","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217075","12.0047","0.0007","10.9563","0.0007","21.0767","0.0015","90","","106.389","0.007","90","","2659.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Ca Cd N2 O11 -","- C24 H24 Ca Cd N2 O11 -","- C96 H96 Ca4 Cd4 N8 O44 -","4","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0465","0.0362","","","0.0804","0.0868","","","","","","1.099","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217076","9.9912","0.0003","21.7677","0.0009","10.2461","0.0004","90","","91.975","0.003","90","","2227.05","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Ca Cd N O12 -","- C20 H19 Ca Cd N O12 -","- C80 H76 Ca4 Cd4 N4 O48 -","4","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0407","0.0322","","","0.068","0.0728","","","","","","1.05","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217077","10.2726","0.0004","13.3346","0.0005","15.2745","0.0006","100.554","0.004","107.524","0.004","99.341","0.003","1907.96","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Ba2 N O22 Zn0 -","- C36 H28 Ba2 N O22 -","- C72 H56 Ba4 N2 O44 -","2","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0418","0.0328","","","0.0769","0.0824","","","","","","1.03","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217078","10.2724","0.0006","13.3126","0.0007","15.2949","0.001","100.307","0.005","107.572","0.006","100.414","0.005","1899.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H28 Ba2 N O22 -","- C35 H28 Ba2 N O22 -","- C70 H56 Ba4 N2 O44 -","2","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0672","0.0447","","","0.0941","0.1102","","","","","","1.006","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217079","14.033","0.003","38.45","0.008","10.289","0.002","90","","90","","90","","5552","2","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C29 H35 N3 O4 -","- C29 H35 N3 O4 -","- C232 H280 N24 O32 -","8","0.5","","Li, Yan; Jia, Yiming; Wang, Zhenwen; Li, Xianghui; Feng, Wen; Deng, Pengchi; Yuan, Lihua","An insight into the extraction of transition metal ions by picolinamides associated with intramolecular hydrogen bonding and rotational isomerization","RSC Advances","2014","4","56","29702","","10.1039/C4RA02030H","","","0.71073","MoKα","","0.0631","0.0452","","","0.1045","0.1133","","","","","","1.053","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217080","15.0617","0.0007","8.8547","0.0006","17.7386","0.001","90","","97.11","0.004","90","","2347.5","0.2","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N3 O4 -","- C25 H27 N3 O4 -","- C100 H108 N12 O16 -","4","1","","Li, Yan; Jia, Yiming; Wang, Zhenwen; Li, Xianghui; Feng, Wen; Deng, Pengchi; Yuan, Lihua","An insight into the extraction of transition metal ions by picolinamides associated with intramolecular hydrogen bonding and rotational isomerization","RSC Advances","2014","4","56","29702","","10.1039/C4RA02030H","","","0.7107","MoKα","","0.1052","0.0753","","","0.1992","0.2198","","","","","","1.058","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217081","9.8077","0.0009","5.595","0.0005","16.0481","0.0015","90","","91.848","0.002","90","","880.17","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O8 P2 U -","- C14 H12 O8 P2 U -","- C28 H24 O16 P4 U2 -","2","0.5","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0774","0.0378","","","0.0777","0.0944","","","","","","0.962","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217082","9.382","0.002","11.204","0.003","12.243","0.003","67.981","0.006","85.397","0.006","71.885","0.006","1133","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 N4 O16 P4 U2 -","- C40 H42 N4 O16 P4 U2 -","- C40 H42 N4 O16 P4 U2 -","1","0.5","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0626","0.0469","","","0.0802","0.0872","","","","","","0.983","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217083","10.5513","0.0007","17.4551","0.0011","11.0376","0.0007","90","","118.459","0.001","90","","1787.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H13 N2 O7 P U -","- C14 H11 N2 O7 P U -","- C56 H44 N8 O28 P4 U4 -","4","1","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0514","0.0354","","","0.0966","0.1065","","","","","","1.056","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217084","21.949","0.006","17.918","0.004","24.002","0.006","90","","113.989","0.004","90","","8624","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H74 N4 O34 P6 U4 -","- C76 H74 N4 O34 P6 U4 -","- C304 H296 N16 O136 P24 U16 -","4","1","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.1119","0.0515","","","0.114","0.1398","","","","","","0.954","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217085","8.946","0.006","11.706","0.007","13.404","0.008","87.195","0.01","76.239","0.012","85.236","0.012","1358.1","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 N2 O7 P U -","- C27 H22 N2 O7 P U -","- C54 H44 N4 O14 P2 U2 -","2","1","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0703","0.0515","","","0.1123","0.1217","","","","","","1.016","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217086","20.8464","0.0018","9.5471","0.0009","19.1788","0.0017","90","","90.637","0.005","90","","3816.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N8 O9 Zn2 -","- C36 H36 N8 O9 Zn2 -","- C144 H144 N32 O36 Zn8 -","4","1","","Li, Qipeng; Qian, Jinjie","Multifarious zinc coordination polymers based on biphenyl-3,3',5,5'-tetracarboxylate and different flexibility of N-donor ligands","RSC Advances","2014","","","","","10.1039/C4RA04505J","","","0.71073","MoKα","","0.1077","0.099","","","0.2865","0.2929","","","","","","1.9","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217087","11.4682","0.0019","11.555","0.002","12.047","0.002","67.634","0.008","70.469","0.01","65.664","0.009","1314.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O10 Zn -","- C28 H22 N2 O10 Zn -","- C56 H44 N4 O20 Zn2 -","2","1","","Li, Qipeng; Qian, Jinjie","Multifarious zinc coordination polymers based on biphenyl-3,3',5,5'-tetracarboxylate and different flexibility of N-donor ligands","RSC Advances","2014","","","","","10.1039/C4RA04505J","","","0.71073","MoKα","","0.0618","0.0489","","","0.1491","0.1676","","","","","","1.062","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217088","10.1877","0.0009","12.7877","0.0011","17.6909","0.0018","90","","99.72","0.004","90","","2271.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N4 O5 Zn -","- C24 H25 N4 O5 Zn -","- C96 H100 N16 O20 Zn4 -","4","1","","Li, Qipeng; Qian, Jinjie","Multifarious zinc coordination polymers based on biphenyl-3,3',5,5'-tetracarboxylate and different flexibility of N-donor ligands","RSC Advances","2014","","","","","10.1039/C4RA04505J","","","0.71073","MoKα","","0.0539","0.0464","","","0.1489","0.167","","","","","","1.039","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217089","7.277","0.003","9.581","0.004","18.528","0.008","90","","95.204","0.008","90","","1286.5","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O6 Zn -","- C13 H11 N O6 Zn -","- C52 H44 N4 O24 Zn4 -","4","1","","Li, Qipeng; Qian, Jinjie","Multifarious zinc coordination polymers based on biphenyl-3,3',5,5'-tetracarboxylate and different flexibility of N-donor ligands","RSC Advances","2014","","","","","10.1039/C4RA04505J","","","0.71073","MoKα","","0.0621","0.0562","","","0.1598","0.1656","","","","","","1.112","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217090","25.3903","0.0015","14.1304","0.0006","9.1996","0.0006","90","","99.658","0.005","90","","3253.8","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Br Hg I2 N2 O -","- C12 H9 Br Hg I2 N2 O -","- C96 H72 Br8 Hg8 I16 N16 O8 -","8","1","","Khavasi, Hamid Reza; Esmaeili, Maryam","Temperature-dependent halogen⋯halogen synthon crossover in coordination compounds","CrystEngComm","2014","16","36","8479","","10.1039/C4CE00692E","","","0.71073","MoKα","","0.0862","0.064","","","0.1406","0.1517","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217091","24.3489","0.0018","4.92","0.0006","28.395","0.002","90","","125.751","0.004","90","","2760.6","0.5","294","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 Hg I2 N4 O2 -","- C24 H18 Br2 Hg I2 N4 O2 -","- C96 H72 Br8 Hg4 I8 N16 O8 -","4","0.5","","Khavasi, Hamid Reza; Esmaeili, Maryam","Temperature-dependent halogen⋯halogen synthon crossover in coordination compounds","CrystEngComm","2014","16","36","8479","","10.1039/C4CE00692E","","","0.71073","MoKα","","0.0772","0.0489","","","0.1203","0.128","","","","","","0.885","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217092","37.962","0.009","21.391","0.004","24.996","0.004","90","","119.84","0.004","90","","17607","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cu N12 O41 P W12 -","- C36 H34 Cu N12 O41 P W12 -","- C288 H272 Cu8 N96 O328 P8 W96 -","8","1","","Luo, Yu-Hui; Lu, Xin-Xin; Zhang, Hong","An ultrastable, flexible POM-based coordination polymer with redox properties","CrystEngComm","2014","16","34","7865","","10.1039/C4CE01123F","","","0.71073","MoKα","","0.1202","0.0763","","","0.2168","0.2394","","","","","","1.028","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217093","11.231","0.0005","17.3234","0.0007","31.724","0.0019","90","","90","","90","","6172.2","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C240 H384 O48 -","16","4","","Zhang, Zhan-Xin; Li, Hui-Hong; Qi, Feng-Ming; Dong, Le-Le; Hai, Yang; Fan, Gai-Xia; Fei, Dong-Qing","Crocrassins A and B: two novel sesquiterpenoids with an unprecedented carbon skeleton from Croton crassifolius","RSC Advances","2014","4","57","30059","","10.1039/C4RA03798G","","","1.54184","CuKα","","0.0953","0.0706","","","0.1746","0.2085","","","","","","1.021","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217094","9.5167","0.0005","9.9644","0.0003","19.0736","0.0007","90","","100.406","0.004","90","","1778.97","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Al O6 -","- C21 H15 Al O6 -","- C84 H60 Al4 O24 -","4","1","","Sanwaria, Anita Raj; Nagar, Meena; Bohra, Rakesh; Chaudhary, Archana; Mobin, Shaikh M.; Mathur, Pradeep; Choudhary, Banwari L.","Sol‒gel synthesis of highly pure α-Al2O3nano-rods from a new class of precursors of salicylaldehyde-modified aluminum(iii) isopropoxide. Crystal and molecular structure of [Al(OC6H4CHO)3]","RSC Advances","2014","4","57","30081","","10.1039/C4RA03245D","","","0.71073","MoKα","","0.0858","0.0554","","","0.1239","0.1429","","","","","","1.015","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7217095","32.703","0.002","32.703","0.002","20.7189","0.0014","90","","90","","120","","19190","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H24 N4 O2 -","- C24 H24 N4 O2 -","- C864 H864 N144 O72 -","36","2","","Banerjee, Prabal; Pandey, Ashok Kumar","Synthesis of Functionalized Dispiro-oxindoles through Azomethine Ylide Dimerization and Mechanistic Studies to Explain the Diastreoslectivity","RSC Advances","2014","","","","","10.1039/C4RA01492H","","","0.71073","MoKα","","0.0685","0.0542","","","0.1955","0.2133","","","","","","0.898","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7217096","27.5591","0.0013","9.5215","0.0005","15.8189","0.0007","90","","90","","90","","4150.9","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H24 N4 O2 -","- C24 H24 N4 O2 -","- C192 H192 N32 O16 -","8","1","","Banerjee, Prabal; Pandey, Ashok Kumar","Synthesis of Functionalized Dispiro-oxindoles through Azomethine Ylide Dimerization and Mechanistic Studies to Explain the Diastreoslectivity","RSC Advances","2014","","","","","10.1039/C4RA01492H","","","0.71073","MoKα","","0.0752","0.0561","","","0.1566","0.1671","","","","","","1.049","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217097","13.1321","0.0002","13.837","0.0007","16.1264","0.0002","75.574","0.014","66.288","0.008","82.251","0.015","2596.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 N3 O17 Tb2 -","- C40 H27 N3 O16 Tb2 -","- C80 H54 N6 O32 Tb4 -","2","1","","Li, Qipeng; Du, Shaowu","Two novel 3D lanthanide supramolecular coordination polymers constructed by paddle wheel SBUs and hydrogen bonding: synthesis, structures and properties","RSC Advances","2014","","","","","10.1039/C4RA03976A","","","0.71073","MoKα","","0.0328","0.0275","","","0.0694","0.073","","","","","","1.077","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217115","14.333","0.006","21.282","0.008","17.076","0.007","90","","91.043","0.007","90","","5208","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Br8 N8 O10 Zn2 -","- C40 H40 Br8 N8 O10 Zn2 -","- C160 H160 Br32 N32 O40 Zn8 -","4","1","","Yan, Zhi-Hao; Han, Lu-Lu; Zhao, Ya-Qin; Li, Xiao-Yu; Wang, Xing-Po; Wang, Lei; Sun, Di","Three mixed-ligand coordination networks modulated by flexible N-donor ligands: syntheses, topological structures, and temperature-sensitive luminescence properties","CrystEngComm","2014","16","37","8747","","10.1039/C4CE01270D","","","0.71073","MoKα","","0.1736","0.1","","","0.2657","0.3123","","","","","","1.04","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217116","8.491","0.011","9.107","0.013","9.21","0.012","71.18","0.02","84.23","0.02","65.21","0.018","611.5","1.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Br4 Cd N6 O8 -","- C16 H20 Br4 Cd N6 O8 -","- C16 H20 Br4 Cd N6 O8 -","1","0.5","","Yan, Zhi-Hao; Han, Lu-Lu; Zhao, Ya-Qin; Li, Xiao-Yu; Wang, Xing-Po; Wang, Lei; Sun, Di","Three mixed-ligand coordination networks modulated by flexible N-donor ligands: syntheses, topological structures, and temperature-sensitive luminescence properties","CrystEngComm","2014","16","37","8747","","10.1039/C4CE01270D","","","0.71073","MoKα","","0.0343","0.0297","","","0.075","0.077","","","","","","1.053","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217117","9.6238","0.0008","17.24","0.0014","12.7886","0.001","90","","91.914","0.002","90","","2120.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br4 N6 O4 Zn -","- C15 H10 Br4 N6 O4 Zn -","- C60 H40 Br16 N24 O16 Zn4 -","4","1","","Yan, Zhi-Hao; Han, Lu-Lu; Zhao, Ya-Qin; Li, Xiao-Yu; Wang, Xing-Po; Wang, Lei; Sun, Di","Three mixed-ligand coordination networks modulated by flexible N-donor ligands: syntheses, topological structures, and temperature-sensitive luminescence properties","CrystEngComm","2014","16","37","8747","","10.1039/C4CE01270D","","","0.71073","MoKα","","0.0618","0.0341","","","0.0683","0.0773","","","","","","0.955","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217118","10.271","0.005","18.615","0.003","10.814","0.005","90","","105.695","0.005","90","","1990.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Co N2 O6 -","- C22 H16 Co N2 O6 -","- C88 H64 Co4 N8 O24 -","4","1","","Ahmad, Musheer; Das, Raja; Mrozinski, Jerzy; Bienko, Alina; Poddar, Pankaj; Bharadwaj, Parimal K.","Interchain relay of antiferromagnetic ordering in 1D Co(ii) coordination polymers via π‒π interactions","CrystEngComm","2014","16","36","8523","","10.1039/C4CE01010H","","","0.71073","MoKα","","0.0886","0.0603","","","0.1542","0.1825","","","","","","1.072","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217119","8.515","0.005","12.058","0.005","17.046","0.005","90","","101.675","0.005","90","","1714","1.3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H12 Co N2 O6 -","- C20 H12 Co N2 O6 -","- C80 H48 Co4 N8 O24 -","4","1","","Ahmad, Musheer; Das, Raja; Mrozinski, Jerzy; Bienko, Alina; Poddar, Pankaj; Bharadwaj, Parimal K.","Interchain relay of antiferromagnetic ordering in 1D Co(ii) coordination polymers via π‒π interactions","CrystEngComm","2014","16","36","8523","","10.1039/C4CE01010H","","","0.71073","MoKα","","0.0641","0.0465","","","0.1229","0.1608","","","","","","1.163","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217120","7.286","0.008","12.218","0.014","24.76","0.03","90","","90.484","0.014","90","","2204","4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 N8 Ni2 O15 S2 -","- C44 H42 N8 Ni2 O15 S2 -","- C88 H84 N16 Ni4 O30 S4 -","2","0.5","","Gao, Xiao Lin; Gong, Yun; Zhang, Pan; Yang, Yong Xi; Meng, Jiang Ping; Zhang, Miao Miao; Yin, Jun Li; Lin, Jian Hua","Metal(ii) complexes based on 4-(2,6-di(pyridin-4-yl)pyridin-4-yl)benzonitrile: structures and electrocatalysis in hydrogen evolution reaction from water","CrystEngComm","2014","16","36","8492","","10.1039/C4CE01259C","","","0.71073","MoKα","","0.0831","0.0468","","","0.1052","0.1279","","","","","","1.035","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217121","14.616","0.0014","12.1893","0.0011","25.892","0.003","90","","106.274","0.002","90","","4428.1","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Co2 N8 O15 S2 -","- C44 H42 Co2 N8 O15 S2 -","- C176 H168 Co8 N32 O60 S8 -","4","1","","Gao, Xiao Lin; Gong, Yun; Zhang, Pan; Yang, Yong Xi; Meng, Jiang Ping; Zhang, Miao Miao; Yin, Jun Li; Lin, Jian Hua","Metal(ii) complexes based on 4-(2,6-di(pyridin-4-yl)pyridin-4-yl)benzonitrile: structures and electrocatalysis in hydrogen evolution reaction from water","CrystEngComm","2014","16","36","8492","","10.1039/C4CE01259C","","","0.71073","MoKα","","0.098","0.0553","","","0.1146","0.1347","","","","","","1.054","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217122","14.8543","0.0014","12.3149","0.0011","26.163","0.003","90","","106.126","0.002","90","","4597.7","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Cd2 N8 O15 S2 -","- C44 H42 Cd2 N8 O15 S2 -","- C176 H168 Cd8 N32 O60 S8 -","4","1","","Gao, Xiao Lin; Gong, Yun; Zhang, Pan; Yang, Yong Xi; Meng, Jiang Ping; Zhang, Miao Miao; Yin, Jun Li; Lin, Jian Hua","Metal(ii) complexes based on 4-(2,6-di(pyridin-4-yl)pyridin-4-yl)benzonitrile: structures and electrocatalysis in hydrogen evolution reaction from water","CrystEngComm","2014","16","36","8492","","10.1039/C4CE01259C","","","0.71073","MoKα","","0.1198","0.0595","","","0.1384","0.1871","","","","","","1.098","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217123","10.944","0.003","13.623","0.004","13.884","0.004","64.73","0.004","73.057","0.005","69.711","0.004","1730.5","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H44 Cu4 N24 Na O41 P W12 -","- C28 H44 Cu4 N24 Na O41 P W12 -","- C28 H44 Cu4 N24 Na O41 P W12 -","1","0.5","","Zhang, He; Yu, Kai; Gao, Song; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Hai-Yan; Zhou, Bai-Bin","Two unusual organic‒inorganic hybrid 3-D frameworks based on Keggin-type heteropoly blue anion-chains, 40-membered macrocycles, and sodium linker units","CrystEngComm","2014","16","36","8449","","10.1039/C4CE01029A","","","0.71073","MoKα","","0.0512","0.0661","","","0.0987","0.1032","","","","","","1.176","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217124","10.9694","0.0011","13.6637","0.0014","13.9341","0.0014","64.8306","0.0013","73.1694","0.0015","69.7887","0.0015","1748.6","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H44 Ag4 N24 Na O41 P W12 -","- C28 H44 Ag4 N24 Na O41 P W12 -","- C28 H44 Ag4 N24 Na O41 P W12 -","1","0.5","","Zhang, He; Yu, Kai; Gao, Song; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Hai-Yan; Zhou, Bai-Bin","Two unusual organic‒inorganic hybrid 3-D frameworks based on Keggin-type heteropoly blue anion-chains, 40-membered macrocycles, and sodium linker units","CrystEngComm","2014","16","36","8449","","10.1039/C4CE01029A","","","0.71","MoKα","","0.0513","0.0659","","","0.0942","0.1076","","","","","","1.167","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217125","7.7124","0.0004","8.9272","0.0004","14.9003","0.0007","90","","97.869","0.003","90","","1016.23","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Majhi, Debashis; Das, Sudhir Kumar; Sahu, Prabhat Kumar; Pratik, Saied Md; Kumar, Arun; Sarkar, Moloy","Probing the aggregation behavior of 4-aminophthalimide and 4-(N,N-dimethyl) amino-N-methylphthalimide: a combined photophysical, crystallographic, microscopic and theoretical (DFT) study.","Physical chemistry chemical physics : PCCP","2014","16","34","18349","","10.1039/c4cp01912a","","","0.71073","MoKα","","0.0712","0.0531","","","0.1471","0.1591","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217126","8.9158","0.0003","11.144","0.0004","14.0968","0.0006","83.256","0.002","72.321","0.002","84.057","0.002","1321.83","0.09","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C49 H27 I4 Mn N6 O2 -","- C49 H27 I4 Mn N6 O2 -","- C49 H27 I4 Mn N6 O2 -","1","1","","Nandi, Goutam; Goldberg, Israel","The effects of halogen bonding and molecular design on the self-assembly of coordination polymers of Mn(iii)-tetraarylporphyrin with axial bridging ligands","CrystEngComm","2014","16","36","8327","","10.1039/C4CE01125B","","","0.71073","MoKα","","0.05","0.0394","","","0.0972","0.1018","","","","","","1.053","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217127","34.108","0.002","9.5282","0.0006","19.5702","0.0013","90","","116.626","0.002","90","","5685.6","0.6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H28 I4 Mn N5 O2 -","- C50 H28 I4 Mn N5 O2 -","- C200 H112 I16 Mn4 N20 O8 -","4","0.5","","Nandi, Goutam; Goldberg, Israel","The effects of halogen bonding and molecular design on the self-assembly of coordination polymers of Mn(iii)-tetraarylporphyrin with axial bridging ligands","CrystEngComm","2014","16","36","8327","","10.1039/C4CE01125B","","","0.71073","MoKα","","0.0373","0.0328","","","0.1006","0.1039","","","","","","0.92","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217128","8.3814","0.0002","10.2345","0.0002","13.8672","0.0009","90","","105.897","0.008","90","","1144.03","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-acety1-1-dimethylaminonaphthalene, 7","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71075","MoKα","","0.0419","0.0378","","","0.0974","0.0998","","","","","","1.071","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217129","9.37","0.02","9.34","0.02","15.72","0.04","90","","90","","90","","1376","5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-dimethylamino-8-isopropylnaphthalene 8","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.6889","","","0.0492","0.0476","","","0.1335","0.1347","","","","","","1.214","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217130","10.4848","0.0006","12.0004","0.0007","12.0396","0.0008","73.685","0.005","85.342","0.006","83.541","0.006","1442.66","0.16","100","2","100","","","","","","","","","4","P -1","-P 1","2","","1-dimethylamino-8-(2,2-dimethylpropanoyl)naphthalene 9","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","2","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71075","MoKα","","0.0484","0.0393","","","0.1026","0.1059","","","","","","1.106","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217131","9.0485","0.0004","11.967","0.0005","14.4409","0.0006","90","","107.512","0.005","90","","1491.24","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Benzoyl-1-dimethylaminonaphthalene, 10","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.0776","0.0559","","","0.1052","0.1138","","","","","","1.075","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217132","12.5626","0.0008","7.4932","0.0004","13.1887","0.0009","90","","98.319","0.006","90","","1228.44","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-dimethylamino-8-trifluoroacetylnaphthalene 11","","- C14 H12 F3 N O -","- C14 H12 F3 N O -","- C56 H48 F12 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.0806","0.0517","","","0.0884","0.1017","","","","","","1.046","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217133","7.2319","0.0013","8.6574","0.0013","19.901","0.003","90","","90","","90","","1246","0.3","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Dimethylamino-4-trifluoroacetylnaphthalene 13","","- C14 H12 F3 N O -","- C14 H12 F3 N O -","- C56 H48 F12 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","","","0.092","0.0602","","","0.114","0.1298","","","","","","1.067","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217134","11.3796","0.0003","10.5436","0.0002","11.0577","0.0003","90","","97.604","0.002","90","","1315.06","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-1,1,2-trimethyl-1,2-dihydrobenzo[cd]indol-1-ium chloride monohydrate, 7-H.Cl.H2O","","- C14 H18 Cl N O2 -","- C14 H18 Cl N O2 -","- C56 H72 Cl4 N4 O8 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.7107","MoKα","","0.0529","0.0417","","","0.0963","0.1043","","","","","","1.047","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217135","13.8475","0.001","7.7466","0.0004","15.6785","0.0009","90","","106.669","0.006","90","","1611.17","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-2-methyl-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium triflate at 150K 7-H.triflate","","- C15 H16 F3 N O4 S -","- C15 H16 F3 N O4 S -","- C60 H64 F12 N4 O16 S4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.7107","MoKα","","0.1289","0.1027","","","0.211","0.2254","","","","","","1.235","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217136","6.2039","0.0002","10.6675","0.0003","23.5777","0.0008","90","","97.541","0.003","90","","1546.88","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Hydroxy-2-isopropyl-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium tetrafluoroborate, 8-H.BF4","","- C16 H20 B F4 N O -","- C16 H20 B F4 N O -","- C64 H80 B4 F16 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.0777","0.0582","","","0.1321","0.1424","","","","","","1.047","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217137","21.072","0.004","11.828","0.003","16.397","0.004","90","","112.765","0.014","90","","3768.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-dimethylammonium-8-(2,2-dimethylpropanoyl)naphthalene triflate 9-H.triflate","","- C18 H22 F3 N O4 S -","- C18 H22 F3 N O4 S -","- C144 H176 F24 N8 O32 S8 -","8","2","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71075","MoKα","","0.0476","0.0419","","","0.0846","0.0882","","","","","","1.036","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217138","13.6452","0.0005","13.5547","0.0004","18.2545","0.0008","90","","90","","90","","3376.3","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N,N-Dimethyl-N-(8-benzoylnaphth-1-yl)ammonium tetrafluoroborate, 10-H.BF4","","- C19 H18 B F4 N O -","- C19 H18 B F4 N O -","- C152 H144 B8 F32 N8 O8 -","8","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.1055","0.0767","","","0.1518","0.166","","","","","","1.114","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217139","10.3782","0.0007","17.4219","0.0008","9.9913","0.0004","90","","103.321","0.007","90","","1757.9","0.17","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-2-trifluoromethyl-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium triflate monohydrate 11-H.triflate.H2O","","- C15 H15 F6 N O5 S -","- C15 H15 F6 N O5 S -","- C60 H60 F24 N4 O20 S4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71075","MoKα","","0.0395","0.0322","","","0.0753","0.0783","","","","","","1.057","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217140","26.3596","0.0011","5.8523","0.0003","32.3137","0.0011","90","","105.987","0.004","90","","4792.1","0.4","240","0.1","240","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 F2 N8 O11 S2 -","- C16 H20 F2 N8 O11 S2 -","- C128 H160 F16 N64 O88 S16 -","8","1","","Wang, Lin; Wen, Xiaonan; Li, Ping; Wang, Jianming; Yang, Ping; Zhang, Hailu; Deng, Zongwu","2 : 1 5-Fluorocytosine‒acesulfame CAB cocrystal and 1 : 1 5-fluorocytosine‒acesulfame salt hydrate with enhanced stability against hydration","CrystEngComm","2014","16","36","8537","","10.1039/C4CE01150C","","","0.71073","MoKα","","0.0672","0.0451","","","0.0978","0.1066","","","","","","1.01","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217141","7.2613","0.0002","10.5289","0.0003","11.6662","0.0004","66.818","0.0011","82.022","0.0012","78.567","0.0012","801.81","0.04","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 F2 N7 O6 S -","- C12 H13 F2 N7 O6 S -","- C24 H26 F4 N14 O12 S2 -","2","1","","Wang, Lin; Wen, Xiaonan; Li, Ping; Wang, Jianming; Yang, Ping; Zhang, Hailu; Deng, Zongwu","2 : 1 5-Fluorocytosine‒acesulfame CAB cocrystal and 1 : 1 5-fluorocytosine‒acesulfame salt hydrate with enhanced stability against hydration","CrystEngComm","2014","16","36","8537","","10.1039/C4CE01150C","","","0.71073","MoKα","","0.0335","0.0305","","","0.084","0.0866","","","","","","1.057","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217142","11.3698","0.0018","6.2439","0.0009","21.563","0.003","90","","96.206","0.004","90","","1521.8","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Ren, XiaoMing; Zhai, Lu; Ning, Wei-Hua","Two-step dielectric anomalies coupled with structural phase transitions in co-crystal of 1,4-diazabicyclo[2.2.2]octane and 4, 4'-biphenol","RSC Advances","2014","","","","","10.1039/C4RA03681F","","","0.71073","MoKα","","0.0618","0.0444","","","0.1063","0.1121","","","","","","1.048","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217143","11.819","0.002","6.2786","0.0011","21.136","0.004","90","","97.707","0.006","90","","1554.3","0.5","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","0.5","","Ren, XiaoMing; Zhai, Lu; Ning, Wei-Hua","Two-step dielectric anomalies coupled with structural phase transitions in co-crystal of 1,4-diazabicyclo[2.2.2]octane and 4, 4'-biphenol","RSC Advances","2014","","","","","10.1039/C4RA03681F","","","0.71073","MoKα","","0.0902","0.0528","","","0.141","0.1547","","","","","","1.048","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217144","12.1356","0.0018","6.34","0.0011","21.054","0.003","90","","98.846","0.005","90","","1600.6","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","0.5","","Ren, XiaoMing; Zhai, Lu; Ning, Wei-Hua","Two-step dielectric anomalies coupled with structural phase transitions in co-crystal of 1,4-diazabicyclo[2.2.2]octane and 4, 4'-biphenol","RSC Advances","2014","","","","","10.1039/C4RA03681F","","","0.71073","MoKα","","0.0588","0.0432","","","0.1184","0.1257","","","","","","1.031","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217145","5.417","0.0012","11.956","0.003","24.503","0.006","90","","92.202","0.003","90","","1585.8","0.7","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N22 -","- C6 H16 N22 -","- C24 H64 N88 -","4","1","","han, zhiyue; zhao, zhihua; du, zhiming; he, chunlin; zhao, linshuang; cong, xiaomin","Bis (1, 5-diamino-4-methyl-tetrazolium) hydrazinetetrazolate: synthesis, structure and energetic properties","RSC Advances","2014","","","","","10.1039/C4RA04999C","","","0.71073","MoKα","","0.0662","0.0433","","","0.0908","0.0992","","","","","","0.999","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217146","5.809","0.0007","20.942","0.003","6.6746","0.0008","90","","107.509","0.002","90","","774.36","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N,N'</i>-(1,4-phenylenedimethylidyne)<i>bis</i>[2-fluorobenzenamine]","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.0591","0.0389","","","0.0876","0.0951","","","","","","1.047","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217147","9.4317","0.0014","3.952","0.0006","20.303","0.003","90","","94.204","0.002","90","","754.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N,N'</i>-(1,4-phenylenedimethylidyne)<i>bis</i>[3-fluorobenzenamine]","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.0611","0.0539","","","0.1382","0.1416","","","","","","1.139","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217148","7.468","0.0011","5.6986","0.0008","36.149","0.005","90","","95.239","0.002","90","","1532","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N,N'</i>-(1,4-phenylenedimethylidyne)<i>bis</i>[4-fluorobenzenamine]","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C80 H56 F8 N8 -","4","1","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.054","0.0411","","","0.1154","0.1243","","","","","","1.055","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217149","6.9517","0.0006","11.5713","0.001","10.0545","0.0008","90","","104.618","0.001","90","","782.61","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N,N'</i>-<i>bis</i>[(2-fluorophenyl)methylene]-1,4-benzenediamine","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.0498","0.0387","","","0.0925","0.0994","","","","","","1.074","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217150","17.2826","0.0017","6.1796","0.0006","7.0765","0.0007","90","","92.71","0.001","90","","754.92","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N,N'</i>-<i>bis</i>[(3-fluorophenyl)methylene]-1,4-benzenediamine","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.0453","0.0379","","","0.1027","0.1092","","","","","","1.05","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217151","7.17","0.003","7.181","0.003","9.831","0.004","73.511","0.004","73.892","0.004","89.122","0.004","465.2","0.3","176","2","176","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 As N2 O6 U -","- C4 As N2 O6 U -","- C8 As2 N4 O12 U2 -","2","1","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.0412","0.0319","","","0.0627","0.0659","","","","","","1.013","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217152","18.86","0.002","18.01","0.002","11.1408","0.0013","90","","90","","90","","3784.2","0.7","174","2","174","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 N4 O23 Se5 U4 -","- C16 N4 O23 Se5 U4 -","- C64 N16 O92 Se20 U16 -","4","0.5","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.068","0.0499","","","0.1046","0.1103","","","","","","1.149","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217153","9.954","0.007","10.264","0.007","19.566","0.014","90","","101.758","0.01","90","","1957","2","174","2","174","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 N4 O22 P4 U3 -","- C20 N4 O22 P4 U3 -","- C40 N8 O44 P8 U6 -","2","0.5","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.1448","0.0497","","","0.1014","0.1326","","","","","","0.979","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217154","9.987","0.007","10.251","0.007","20.957","0.014","90","","90","","90","","2146","3","174","2","174","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10 N2 O16 Se3 U2 -","- C10 N2 O16 Se3 U2 -","- C40 N8 O64 Se12 U8 -","4","0.5","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.0941","0.0647","","","0.1623","0.1784","","","","","","1.033","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217155","9.5152","0.0009","33.144","0.003","9.6569","0.001","90","","93.211","0.001","90","","3040.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 N2 O31 P4 U5 -","- C4 N2 O31 P4 U5 -","- C16 N8 O124 P16 U20 -","4","1","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.0684","0.045","","","0.1036","0.1163","","","","","","1.015","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217156","38.4736","0.0012","12.0047","0.001","19.0031","0.0016","90","","104.334","0.003","90","","8503.6","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H62 Cd3 N28 O8 S5 W2 -","- C70 H62 Cd3 N28 O8 S5 W2 -","- C280 H248 Cd12 N112 O32 S20 W8 -","4","0.5","","Yang, Dan; Zhou, Hu; Yuan, Ai-Hua; Li, Yi-Zhi","Sandwich-like octacyanometalate-based cadmium assemblies with the 4,4′-dipyridyl sulfide ligand","CrystEngComm","2014","16","36","8344","","10.1039/C4CE00965G","","","0.71073","MoKα","","0.0464","0.0461","","","0.1163","0.1164","","","","","","1.073","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217157","38.0659","0.0011","11.9553","0.0012","18.9714","0.001","90","","103.936","0.0012","90","","8379.5","1","340","2","340","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H56 Cd3 N28 O5 S5 W2 -","- C70 H56 Cd3 N28 O5 S5 W2 -","- C280 H224 Cd12 N112 O20 S20 W8 -","4","1","","Yang, Dan; Zhou, Hu; Yuan, Ai-Hua; Li, Yi-Zhi","Sandwich-like octacyanometalate-based cadmium assemblies with the 4,4′-dipyridyl sulfide ligand","CrystEngComm","2014","16","36","8344","","10.1039/C4CE00965G","","","0.71073","MoKα","","0.0452","0.0409","","","0.1001","0.1004","","","","","","1.017","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217158","37.855","0.005","11.8053","0.0015","18.885","0.002","90","","104.534","0.002","90","","8169.4","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H56 Cd3 N26 O8 S5 W2 -","- C66 H56 Cd3 N26 O8 S5 W2 -","- C264 H224 Cd12 N104 O32 S20 W8 -","4","0.5","","Yang, Dan; Zhou, Hu; Yuan, Ai-Hua; Li, Yi-Zhi","Sandwich-like octacyanometalate-based cadmium assemblies with the 4,4′-dipyridyl sulfide ligand","CrystEngComm","2014","16","36","8344","","10.1039/C4CE00965G","","","0.71073","MoKα","","0.0532","0.0389","","","0.0869","0.0915","","","","","","1.071","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217159","37.571","0.005","11.9361","0.0015","19.196","0.002","90","","104.686","0.002","90","","8327.2","1.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H60 Cd3 N26 O6 S5 W2 -","- C70 H60 Cd3 N26 O6 S5 W2 -","- C280 H240 Cd12 N104 O24 S20 W8 -","4","0.5","","Yang, Dan; Zhou, Hu; Yuan, Ai-Hua; Li, Yi-Zhi","Sandwich-like octacyanometalate-based cadmium assemblies with the 4,4′-dipyridyl sulfide ligand","CrystEngComm","2014","16","36","8344","","10.1039/C4CE00965G","","","0.71073","MoKα","","0.0354","0.0259","","","0.0628","0.0658","","","","","","1.043","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217160","5.79405","0.00011","10.39092","0.00018","22.3131","0.0004","90","","90","","90","","1343.37","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Held, Felix E.; Wei, Shengwei; Eder, Kathrin; Tsogoeva, Svetlana","One-Pot Route to beta-Adrenergic Blockers via Enantioselective Organocatalysed Epoxidation of Terminal Alkenes as a Key Step","RSC Advances","2014","","","","","10.1039/C4RA04011B","","","1.54184","CuKα","","0.0389","0.0373","","","0.0988","0.1012","","","","","","1.04","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217161","9.349","0.003","11.14","0.004","18.86","0.006","93.05","0.013","92.208","0.012","113.907","0.011","1789.3","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H33 Cu N2 P2 S -","- C40 H33 Cu N2 P2 S -","- C80 H66 Cu2 N4 P4 S2 -","2","1","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","0.71073","MoKα","","0.0468","0.0339","","","0.0834","0.1023","","","","","","1.008","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217162","9.0783","0.0002","25.2036","0.0006","16.9815","0.0005","90","","102.171","0.003","90","","3798.13","0.17","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H37 Cu N4 O P2 S -","- C42 H37 Cu N4 O P2 S -","- C168 H148 Cu4 N16 O4 P8 S4 -","4","1","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","0.71073","MoKα","","0.0481","0.0395","","","0.1027","0.1095","","","","","","1.078","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217163","12.6132","0.0006","12.6674","0.0006","17.0373","0.0007","88.319","0.003","69.754","0.004","65.581","0.004","2304.8","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 Cu2 N8 P2 S2 -","- C46 H36 Cu2 N8 P2 S2 -","- C92 H72 Cu4 N16 P4 S4 -","2","1","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","1.54184","CuKα","","0.0715","0.0556","","","0.1583","0.1757","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217164","10.8164","0.0009","13.1393","0.001","14.7805","0.001","76.189","0.006","81.704","0.006","67.452","0.007","1880.7","0.3","170","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H34 Cl Cu N2 O P2 S -","- C40 H34 Cl Cu N2 O P2 S -","- C80 H68 Cl2 Cu2 N4 O2 P4 S2 -","2","1","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","0.71073","MoKα","","0.066","0.0433","","","0.096","0.1122","","","","","","1.068","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217165","17.6065","0.0005","18.9904","0.0006","22.8262","0.0007","66.994","0.003","69.512","0.003","81.169","0.003","6579.4","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H63 Cl Cu2 N2 P4 S2 -","- C76 H63 Cl Cu2 N2 P4 S2 -","- C304 H252 Cl4 Cu8 N8 P16 S8 -","4","2","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","0.71073","MoKα","","0.1037","0.0542","","","0.1041","0.1234","","","","","","1.016","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217166","17.5439","0.0003","18.7998","0.0003","22.7125","0.0004","67.538","0.002","69.421","0.002","80.742","0.001","6477.9","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H63 Br Cu2 N2 P4 S2 -","- C76 H63 Br Cu2 N2 P4 S2 -","- C304 H252 Br4 Cu8 N8 P16 S8 -","4","2","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","0.71073","MoKα","","0.1342","0.0683","","","0.1416","0.1722","","","","","","1.019","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217167","12.864","0.004","16.167","0.005","17.506","0.005","90","","95.271","0.004","90","","3625.4","1.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H33 Cu N3 O0.5 P2 S3 -","- C39 H33 Cu N3 O0.5 P2 S3 -","- C156 H132 Cu4 N12 O2 P8 S12 -","4","2","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","0.71073","MoKα","","0.0675","0.0495","","","0.1119","0.1213","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217168","12.8825","0.0005","13.2054","0.0005","33.4043","0.0011","93.223","0.003","96.511","0.003","119.084","0.004","4893.4","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C111 H92 Br2 Cu3 N3 P6 S3 -","- C111 H92 Br2 Cu3 N3 P6 S3 -","- C222 H184 Br4 Cu6 N6 P12 S6 -","2","1","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.","Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes","RSC Advances","2014","4","58","30511","","10.1039/C4RA02748E","","","0.71073","MoKα","","0.0932","0.0679","","","0.1345","0.1475","","","","","","1.102","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217169","15.9316","0.0013","11.8821","0.001","15.2579","0.0012","90","","103.574","0.001","90","","2807.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1'S,2'S,3S,7a'S)-1'-(4-nitrophenyl)-2'-(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizin]-2-one","","- C34 H27 N5 O4 -","- C34 H27 N5 O4 -","- C136 H108 N20 O16 -","4","1","","Maurya, Ram Awatar; Nayak, Ranjita; Reddy, Narsihma; Kapure, Jeevak; Nanubolu, Jagadeesh Babu; Singarapu, Kiran Kumar; Ajitha, M.; Kamal, Ahmed","Regio- and stereoselective synthesis of novel spiropyrrolidines through 1,3-dipolar cycloaddition reactions of azomethine ylides and 2-styrylquinazolin-4(3H)-ones","RSC Advances","2014","","","","","10.1039/C4RA03508A","","","0.71073","MoKα","","0.0453","0.0384","","","0.0979","0.1039","","","","","","1.048","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217170","16.362","0.003","15.987","0.002","8.16","0.001","90","","97.389","0.009","90","","2116.8","0.5","203","2","203","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Br2 -","- C30 H16 Br2 -","- C120 H64 Br8 -","4","1","","Terrasson, Vincent; Roy, Myriam; Moutard, Stéphane; Lafontaine, Marie-Pier; Pèpe, Gérard; Félix, Guy; Gingras, Marc","Benzylic-Type Couplings Provide an Important Asymmetric Entry to Functionalized, Non-Racemic Helicenes","RSC Advances","2014","","","","","10.1039/C4RA04398G","","x-ray","0.71073","MoKα","","0.2121","0.0791","","","0.1962","0.2444","","","","","","0.915","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217171","11.4682","0.0002","8.8977","0.0001","15.6872","0.0002","90","","94.074","0.001","90","","1596.69","0.04","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H33 Cu2 N5 O14 -","- C29 H33 Cu2 N5 O14 -","- C58 H66 Cu4 N10 O28 -","2","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Lezama, Luis; Arriortua, María-Isabel","CuII‒PDC-bpe frameworks (PDC = 2,5-pyridinedicarboxylate, bpe = 1,2-di(4-pyridyl)ethylene): mapping of herringbone-type structures","CrystEngComm","2014","16","37","8726","","10.1039/C4CE00989D","","","1.54184","CuKα","","0.0317","0.0296","","","0.0767","0.0782","","","","","","1.041","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217172","11.3256","0.0003","8.9352","0.0002","15.1672","0.0004","90","","93.037","0.003","90","","1532.71","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cu N2 O7 -","- C13 H10 Cu N2 O7 -","- C52 H40 Cu4 N8 O28 -","4","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Lezama, Luis; Arriortua, María-Isabel","CuII‒PDC-bpe frameworks (PDC = 2,5-pyridinedicarboxylate, bpe = 1,2-di(4-pyridyl)ethylene): mapping of herringbone-type structures","CrystEngComm","2014","16","37","8726","","10.1039/C4CE00989D","","","1.54184","CuKα","","0.0542","0.0481","","","0.1372","0.1445","","","","","","1.014","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217173","15.0263","0.0003","15.0263","0.0003","17.6363","0.0006","90","","90","","120","","3448.6","0.15","296","2","296","2","","","","","","","","5","P 6/m","-P 6","175","[Ba~5~(L)~3~(H~2~O)~6~].25H~2~O.10DMF.2Me~2~NH~2~^+^","","","- C154 H214 Ba5 N12 O65 -","- C120 H72 Ba5 O30 -","- C120 H72 Ba5 O30 -","1","0.0833333","","Chen, Xiao; He, Sha; Chen, Feiyan; Feng, Yunlong","Synthesis, characterization, and luminescence modulation of a rare barium-tetracarboxylate framework with I2O1connectivity","CrystEngComm","2014","16","37","8706","","10.1039/C4CE01059K","","","0.71073","MoKα","","0.0772","0.0504","","","0.1651","0.1785","","","","","","1","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217174","25.926","0.005","13.837","0.003","15.243","0.003","90","","90","","90","","5468.2","1.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","{[Mn3L2(pbbm)]CH3CN}n","","","- C63 H45 Mn3 N5 O12 -","- C63 H45 Mn3 N5 O12 -","- C252 H180 Mn12 N20 O48 -","4","1","","Liu, Lu; Lv, Xiaofeng; Zhang, Lin; Guo, Li'an; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Mn(ii) coordination polymers assembled from 8 or 9-connected trinuclear secondary building units: topology analysis and research of magnetic properties","CrystEngComm","2014","16","37","8736","","10.1039/C4CE01184H","","","0.71073","MoKα","","0.1189","0.0885","","","0.1574","0.1754","","","","","","1.001","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217175","8.8451","0.0018","10.334","0.002","11.762","0.002","77.05","0.03","81.5","0.03","75.82","0.03","1010.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Mn3L2(CH3CN)2]n","","","- C46 H28 Mn3 N2 O12 -","- C46 H28 Mn3 N2 O12 -","- C46 H28 Mn3 N2 O12 -","1","0.5","","Liu, Lu; Lv, Xiaofeng; Zhang, Lin; Guo, Li'an; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Mn(ii) coordination polymers assembled from 8 or 9-connected trinuclear secondary building units: topology analysis and research of magnetic properties","CrystEngComm","2014","16","37","8736","","10.1039/C4CE01184H","","","0.71073","MoKα","","0.0651","0.051","","","0.121","0.1377","","","","","","0.995","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217176","22.0734","0.001","22.0734","0.001","16.1233","0.0014","90","","90","","90","","7855.8","0.8","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H9 Cd Cl N3 O4 -","- C16 H9 Cd Cl N3 O4 -","- C256 H144 Cd16 Cl16 N48 O64 -","16","1","","Yue, Zhifang; Chen, Zhenna; Yao, Minjie; Wang, Haili; Li, Gang","Selective pyridine recognition by a imidazole dicarboxylate-based 3D cadmium(II) MOF","RSC Advances","2014","","","","","10.1039/C4RA04803B","","","0.71073","MoKα","","0.0563","0.0467","","","0.1275","0.1349","","","","","","1.111","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217177","8.846","0.002","10.265","0.003","21.098","0.005","85.002","0.003","89.516","0.003","79.875","0.003","1878.7","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cl Ir N2 -","- C22 H19.5 Cl Ir N2 -","- C88 H78 Cl4 Ir4 N8 -","4","2","","Periana, Roy Anthony; Gunsalus, Niles; Hashiguchi, Brian; Bischof, Steven Michael; Yousufuddin, Muhammed; Lokare, Kapil S.","Iridium(III) Catalyzed Trifluoroacetoxylation of Aromatic Hydrocarbons","RSC Advances","2014","","","","","10.1039/C4RA06251E","","","0.71073","MoKα","","0.1019","0.0532","","","0.1005","0.1141","","","","","","1.048","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7217178","9.394","0.003","10.594","0.003","11.122","0.003","85.562","0.003","82.141","0.003","77.186","0.003","1067.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 F3 Ir N2 O2 -","- C24 H20 F3 Ir N2 O2 -","- C48 H40 F6 Ir2 N4 O4 -","2","1","","Periana, Roy Anthony; Gunsalus, Niles; Hashiguchi, Brian; Bischof, Steven Michael; Yousufuddin, Muhammed; Lokare, Kapil S.","Iridium(III) Catalyzed Trifluoroacetoxylation of Aromatic Hydrocarbons","RSC Advances","2014","","","","","10.1039/C4RA06251E","","","0.71073","MoKα","","0.07","0.0468","","","0.1116","0.1223","","","","","","1.031","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217179","9.2114","0.0012","9.5161","0.0012","14.2557","0.0018","99.972","0.002","104.037","0.002","98.975","0.002","1168.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 F6 Ir N2 O4 -","- C24 H14 F6 Ir N2 O4 -","- C48 H28 F12 Ir2 N4 O8 -","2","1","","Periana, Roy Anthony; Gunsalus, Niles; Hashiguchi, Brian; Bischof, Steven Michael; Yousufuddin, Muhammed; Lokare, Kapil S.","Iridium(III) Catalyzed Trifluoroacetoxylation of Aromatic Hydrocarbons","RSC Advances","2014","","","","","10.1039/C4RA06251E","","","0.71073","MoKα","","0.0488","0.0418","","","0.106","0.1113","","","","","","1.053","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217180","28.3148","0.0006","15.8506","0.0003","18.226","0.0004","90","","118.09","0.01","90","","7216.4","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70.5 H95.5 Cl1.5 N4 O7 S2 -","- C70.5 H95.5 Cl1.5 N4 O7 S2 -","- C282 H382 Cl6 N16 O28 S8 -","4","0.5","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","Mo-Kα","","0.1129","0.0962","","","0.2708","0.2888","","","","","","1.071","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217181","12.6122","0.0005","30.9836","0.0012","18.6901","0.0007","90","","92.349","0.01","90","","7297.4","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75.5 H87.5 Cl4.5 N6 O6 -","- C75.5 H87.5 Cl4.5 N6 O6 -","- C302 H350 Cl18 N24 O24 -","4","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","x-ray","0.71073","MoKα","K-L~3~","0.1638","0.0852","","","0.233","0.2683","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217182","19.5803","0.0005","20.1679","0.0005","18.2981","0.0005","90","","111.82","0.03","90","","6708.1","1.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H91 N4 O8 S2 -","- C69 H91 N4 O8 S2 -","- C276 H364 N16 O32 S8 -","4","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","x-ray","0.71073","MoKα","K-L~3~","0.1991","0.0936","","","0.2441","0.2932","","","","","","1.056","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217183","12.1816","0.0003","24.5969","0.0007","26.7522","0.0007","102.923","0.01","95.542","0.01","98.546","0.01","7655.6","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H100 N8 O8 S2 -","- C80 H100 N8 O8 S2 -","- C320 H400 N32 O32 S8 -","4","2","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","Mo-Kα","","0.1123","0.06","","","0.1502","0.1766","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217184","21.951","0.004","12.163","0.003","21.185","0.003","90","","91.17","0.01","90","","5655","1.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61 H84 N2 O7 -","- C61 H84 N2 O7 -","- C244 H336 N8 O28 -","4","0.5","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","Mo-Kα","","0.0784","0.0649","","","0.1746","0.1923","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217185","10.0646","0.0011","15.6235","0.0017","20.246","0.002","90","","90","","90","","3183.6","0.6","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 Cl2 N2 O4 -","- C37 H36 Cl2 N2 O4 -","- C148 H144 Cl8 N8 O16 -","4","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","MoKα","","0.07","0.047","","","0.0789","0.086","","","","","","0.982","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217186","27.48","0.02","20.311","0.015","19.585","0.014","90","","92.34","0.06","90","","10922","14","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","06kma022","","","- C60 H82 N2 O4 -","- C60 H82 N2 O4 -","- C480 H656 N16 O32 -","8","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","MoKα","","0.1672","0.0648","","","0.1364","0.1687","","","","","","0.792","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217187","13.4692","0.0015","15.0701","0.0016","15.3241","0.0016","91.994","0.002","115.71","0.002","109.003","0.002","2592.6","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H74 N2 O4 -","- C56 H74 N2 O4 -","- C112 H148 N4 O8 -","2","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","MoKα","","0.1334","0.0713","","","0.1566","0.1845","","","","","","1.016","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217188","11.9751","0.0016","13.956","0.002","16.948","0.002","103.541","0.004","106.768","0.004","105.443","0.004","2461.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N5 Ni S4 -","- C21 H22 N5 Ni S4 -","- C84 H88 N20 Ni4 S16 -","4","2","","Chen, Xuan-Rong; Sui, Yun-Xia; Zhai, Lu; Ning, Wei-Hua; Ren, Xiao-Ming","Influence of the molecular structures of dithiolate ligands on crystal packing modes and magnetic properties in salts (Bz-Et3N)[Ni(dmit)x(mnt)2−x] (x = 0‒2)","CrystEngComm","2014","16","37","8717","","10.1039/C4CE01168F","","","0.71073","MoKα","","0.1988","0.0999","","","0.2502","0.3107","","","","","","0.991","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217189","9.6795","0.0009","11.1962","0.0011","12.7101","0.0013","85.342","0.003","74.876","0.003","85.864","0.003","1323.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N Ni S10 -","- C19 H22 N Ni S10 -","- C38 H44 N2 Ni2 S20 -","2","1","","Chen, Xuan-Rong; Sui, Yun-Xia; Zhai, Lu; Ning, Wei-Hua; Ren, Xiao-Ming","Influence of the molecular structures of dithiolate ligands on crystal packing modes and magnetic properties in salts (Bz-Et3N)[Ni(dmit)x(mnt)2−x] (x = 0‒2)","CrystEngComm","2014","16","37","8717","","10.1039/C4CE01168F","","","0.71073","MoKα","","0.0454","0.034","","","0.0786","0.0853","","","","","","1.037","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217190","7.9725","0.001","14.7293","0.0017","44.097","0.005","90","","90","","90","","5178.3","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N3 Ni S7 -","- C20 H22 N3 Ni S7 -","- C160 H176 N24 Ni8 S56 -","8","2","","Chen, Xuan-Rong; Sui, Yun-Xia; Zhai, Lu; Ning, Wei-Hua; Ren, Xiao-Ming","Influence of the molecular structures of dithiolate ligands on crystal packing modes and magnetic properties in salts (Bz-Et3N)[Ni(dmit)x(mnt)2−x] (x = 0‒2)","CrystEngComm","2014","16","37","8717","","10.1039/C4CE01168F","","","0.71073","MoKα","","0.2155","0.0612","","","0.0697","0.0915","","","","","","0.963","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7217191","15.803","0.0003","16.5945","0.0002","9.10215","0.00012","90","","102.16","0.0017","90","","2333.42","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N2 S6 Se -","- C19 H23 N2 S6 Se -","- C76 H92 N8 S24 Se4 -","4","1","","Wang, Wei; Zhao, Na; Geng, Yan; Cui, Shi-Bin; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia","A highly sensitive TTF-functionalised probe for the determination of physiological thiols and its application in tumor cells","RSC Advances","2014","","","","","10.1039/C4RA06455K","","","0.71073","MoKα","","0.0686","0.0446","","","0.1003","0.111","","","","","","1.037","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217192","12.4555","0.001","14.7313","0.0012","15.9151","0.0012","63.621","0.002","81.425","0.002","83.341","0.002","2582.8","0.4","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H48 Cl F4 Ir N14 O -","- C54 H48 Cl F4 Ir N14 O -","- C108 H96 Cl2 F8 Ir2 N28 O2 -","2","1","","Rawson, Jeremy M.; Donato, Loïc; Zysman-Colman, Eli","Triazole-directed hydrogen-bonded structures of cationic iridium(iii) complexes","CrystEngComm","2014","16","36","8531","","10.1039/C4CE00980K","","","0.71073","MoKα","","0.0497","0.0373","","","0.0831","0.0893","","","","","","1.049","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217193","6.2427","0.0012","19.473","0.004","11.986","0.002","90","","104.37","0.003","90","","1411.5","0.5","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br N O4 -","- C14 H14 Br N O4 -","- C56 H56 Br4 N4 O16 -","4","2","","Cheng, Xiangrong; Shao, Wen-Hao; Zhang, Shoude; Wang, Guowei; Shan, Lei; Shen, Yunheng; Sun, Qingyan; Jin, Huizi; Zhang, Weidong","Winolides A-C, bioactive sesquiterpene lactones with unusual 5,6-secoeudesmane frameworks from Inula wissmanniana","RSC Advances","2014","","","","","10.1039/C4RA05131A","","","0.71073","MoKα","","0.0497","0.0353","","","0.0835","0.0878","","","","","","1.025","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217194","6.2368","0.0015","19.469","0.005","11.972","0.003","90","","104.381","0.004","90","","1408.1","0.6","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br N O4 -","- C14 H14 Br N O4 -","- C56 H56 Br4 N4 O16 -","4","2","","Cheng, Xiangrong; Shao, Wen-Hao; Zhang, Shoude; Wang, Guowei; Shan, Lei; Shen, Yunheng; Sun, Qingyan; Jin, Huizi; Zhang, Weidong","Winolides A-C, bioactive sesquiterpene lactones with unusual 5,6-secoeudesmane frameworks from Inula wissmanniana","RSC Advances","2014","","","","","10.1039/C4RA05131A","","","0.71073","MoKα","","0.0915","0.0418","","","0.0802","0.0957","","","","","","0.927","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217195","12.0005","0.0003","17.7747","0.0003","17.9712","0.0004","112.81","0.002","102.108","0.002","94.844","0.002","3396.02","0.15","153","4","153","4","","","","","","","","7","P -1","-P 1","2","","","","- C25 H37 Ge N3 O6 Ru2 Si2 -","- C25 H37 Ge N3 O6 Ru2 Si2 -","- C100 H148 Ge4 N12 O24 Ru8 Si8 -","4","2","","Cabeza, Javier A.; Fernández-Colinas, José M.; García-Álvarez, Pablo; Polo, Diego","Steric effects in the reactions of amidinate germylenes with ruthenium carbonyl: isolation of a coordinatively unsaturated diruthenium(0) derivative","RSC Advances","2014","4","59","31503","","10.1039/C4RA05972G","","","1.5418","CuKα","","0.0236","0.0223","","","0.0585","0.0597","","","","","","1.03","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217196","13.0728","0.0005","13.3171","0.0004","17.1692","0.0005","73.514","0.003","72.315","0.003","72.066","0.003","2649.05","0.16","154","2","154","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H61 Ge N3 O5 Ru2 Si2 Sn -","- C49 H61 Ge N3 O5 Ru2 Si2 Sn -","- C98 H122 Ge2 N6 O10 Ru4 Si4 Sn2 -","2","1","","Cabeza, Javier A.; Fernández-Colinas, José M.; García-Álvarez, Pablo; Polo, Diego","Steric effects in the reactions of amidinate germylenes with ruthenium carbonyl: isolation of a coordinatively unsaturated diruthenium(0) derivative","RSC Advances","2014","4","59","31503","","10.1039/C4RA05972G","","","1.5418","CuKα","","0.031","0.0248","","","0.0577","0.0622","","","","","","1.034","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217197","19.4966","0.0008","19.4966","0.0008","58.604","0.003","90","","90","","120","","19291.9","1.5","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H51 Cr N12 O105 P2 W24 -","- C72 H51 Cr N12 O105 P2 W24 -","- C216 H153 Cr3 N36 O315 P6 W72 -","3","0.166667","","Liao, Jian-Zhen; Dui, Xue-Jing; Zhang, Hai-Long; Wu, Xiao-Yuan; Lu, Can-Zhong","Polyoxometalate anion‒π interaction-directed assembly of a three-dimensional hydrogen-bonded supramolecular framework with nanoscale porosity","CrystEngComm","2014","16","46","10530","","10.1039/C4CE01283F","","","0.71073","MoKα","","0.122","0.0836","","","0.2451","0.2871","","","","","","1.009","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217198","6.9872","0.0002","22.0728","0.0008","8.3974","0.0003","90","","97.838","0.002","90","","1283.01","0.08","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 O -","- C20 H12 O -","- C80 H48 O4 -","4","1","","Zakrzewski, Janusz; Flamholc, Rafał; Plażuk, Damian; Metivier, Remi; Nakatani, Keitaro; Makal, Anna Maria; Wozniak, Krzysztof","A new class of pyrenyl solid-state emitters:1-pyrenyl ynones. Synthesis via the Friedel-Crafts route, molecular and electronic structure and photophysical properties","RSC Advances","2014","","","","","10.1039/C4RA03961K","","x-ray","0.71073","MoKα","","0.0666","0.0444","","","0.1243","0.1397","","","","","","1.05","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217199","10.054","0.002","10.073","0.002","12.755","0.003","107.386","0.003","97.437","0.003","96.535","0.002","1206.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H36 N4 O2 -","- C26 H36 N4 O2 -","- C52 H72 N8 O4 -","2","1","","Sathish Kumar, B.; Panda, Pradeepta K.","1D water chain stabilized by meso-expanded calix[4]pyrrole","CrystEngComm","2014","16","37","8669","","10.1039/C4CE01502A","","","0.71073","MoKα","","0.058","0.0532","","","0.1479","0.1517","","","","","","1.114","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217200","5.2963","0.001","7.4802","0.0014","11.401","0.002","90","","99.512","0.003","90","","445.47","0.14","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 -","- C10 H12 N2 -","- C20 H24 N4 -","2","0.5","","Sathish Kumar, B.; Panda, Pradeepta K.","1D water chain stabilized by meso-expanded calix[4]pyrrole","CrystEngComm","2014","16","37","8669","","10.1039/C4CE01502A","","","0.71073","MoKα","","0.1278","0.1198","","","0.346","0.3593","","","","","","1.581","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217201","15.7215","0.0016","12.0839","0.0012","16.2077","0.0017","90","","106.856","0.002","90","","2946.8","0.5","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H72 Cl0 Mo2 N2 O8 -","- C68 H72 Mo2 N2 O8 -","- C136 H144 Mo4 N4 O16 -","2","1","","Chen, Yu; Ma, Li; Bian, Zheng; Jin, Rizhe; Kang, Chuanqing; Li, Zongjun; Gao, Xiang; Han, Fushe; Qiu, Xuepeng; Gao, Lianxun","The crystallographic observation of mesitylene‒mesitylene and mesitylene‒CH2Cl2‒mesitylene adducts trapped in an irregular cavity","CrystEngComm","2014","16","37","8652","","10.1039/C4CE01403K","","","0.71073","MoKα","","0.0513","0.0428","","","0.0863","0.091","","","","","","1.014","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217202","14.6862","0.0018","15.6249","0.0018","13.2871","0.0016","90","","90","","90","","3049","0.6","185","2","185","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C69 H74 Cl2 Mo2 N2 O8 -","- C69 H74 Cl2 Mo2 N2 O8 -","- C138 H148 Cl4 Mo4 N4 O16 -","2","0.5","","Chen, Yu; Ma, Li; Bian, Zheng; Jin, Rizhe; Kang, Chuanqing; Li, Zongjun; Gao, Xiang; Han, Fushe; Qiu, Xuepeng; Gao, Lianxun","The crystallographic observation of mesitylene‒mesitylene and mesitylene‒CH2Cl2‒mesitylene adducts trapped in an irregular cavity","CrystEngComm","2014","16","37","8652","","10.1039/C4CE01403K","","","0.71073","MoKα","","0.0989","0.0591","","","0.1202","0.1372","","","","","","1.022","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217203","7.5319","0.0013","20.56","0.003","8.9505","0.0014","90","","114.813","0.008","90","","1258.1","0.4","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,2-Dibromotetrafluorobenzene N-Methylacetamide","","- C9 H7 Br2 F4 N O -","- C9 H7 Br2 F4 N O -","- C36 H28 Br8 F16 N4 O4 -","4","1","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.1071","0.0483","","","0.1094","0.1389","","","","","","0.956","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217204","7.7932","0.0006","19.6616","0.0014","8.8023","0.0006","90","","115.553","0.004","90","","1216.82","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,3-Dibromotetrafluorobenzene N-Methylacetamide","","- C9 H7 Br2 F4 N O -","- C9 H7 Br2 F4 N O -","- C36 H28 Br8 F16 N4 O4 -","4","1","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0462","0.0274","","","0.0538","0.0587","","","","","","1.048","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217205","5.8653","0.0003","9.0752","0.0005","22.3773","0.0013","90","","95.126","0.003","90","","1186.35","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,4-Dibromotetrafluorobenzene N-Methylacetamide","","- C9 H7 Br2 F4 N O -","- C9 H7 Br2 F4 N O -","- C36 H28 Br8 F16 N4 O4 -","4","1","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0462","0.0364","","","0.0955","0.1103","","","","","","1.173","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217206","7.2201","0.0003","8.6847","0.0003","21.5893","0.0008","85.66","0.002","81.022","0.002","74.403","0.002","1287.11","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,2-Diiodotetrafluorobenzene N-Methylacetamide","","- C9 H7 F4 I2 N O -","- C9 H7 F4 I2 N O -","- C36 H28 F16 I8 N4 O4 -","4","2","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.037","0.0278","","","0.0709","0.0809","","","","","","1.234","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217207","8.0655","0.0005","18.2945","0.001","9.1049","0.0005","90","","105.695","0.003","90","","1293.38","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-Diiodotetrafluorobenzene N-Methylacetamide","","- C9 H7 F4 I2 N O -","- C9 H7 F4 I2 N O -","- C36 H28 F16 I8 N4 O4 -","4","1","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0326","0.021","","","0.0398","0.0431","","","","","","1.021","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217208","21.263","0.009","4.7949","0.0019","12.348","0.006","90","","91.64","0.02","90","","1258.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,4-Diiodotetrafluorobenzene N-Methylacetamide","","- C9 H7 F4 I2 N O -","- C9 H7 F4 I2 N O -","- C36 H28 F16 I8 N4 O4 -","4","0.5","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0255","0.0188","","","0.0413","0.0543","","","","","","1.249","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217209","9.6481","0.0012","6.3391","0.0008","7.1825","0.0009","90","","90","","90","","439.28","0.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","N-methylacetamide","","- C3 H7 N O -","- C3 H7 N O -","- C12 H28 N4 O4 -","4","0.5","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0546","0.0471","","","0.1305","0.1344","","","","","","1.073","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217210","13.008","0.004","16.887","0.005","18.288","0.007","114.561","0.006","92.22","0.013","95.181","0.009","3626","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H129 Cu13 N50 O6 -","- C140 H120 Cu13 N50 O6 -","- C140 H120 Cu13 N50 O6 -","1","0.5","","Fang, Zhen-Lan; Wu, Xiao-Yuan; Yu, Rong-Min; Lu, Can-Zhong","A microporous cationic metal‒organic framework constructed from metallamacrocycle-based nanocages: structures and luminescence properties","CrystEngComm","2014","16","37","8769","","10.1039/C4CE01185F","","","0.71073","MoKα","","0.1185","0.0808","","","0.1779","0.2098","","","","","","1.079","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217211","20.0319","0.0009","14.316","0.0006","24.1507","0.0009","90","","90","","90","","6925.9","0.5","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H39 N5 O3 S -","- C42 H39 N5 O3 S -","- C336 H312 N40 O24 S8 -","8","1","","Goswami, Shyamaprosad; Manna, Abhishek; Paul, Sima; Maity, Anup Kumar; Saha, Partha; Quah, Ching Kheng; Fun, Hoong- Kun","FRET based ‘red-switch’ for Al3+ over ESIPT based ‘green-switch’ for Zn2+: Dual channel detection with live-cell imaging on a dyed platform","RSC Advances","2014","","","","","10.1039/C4RA05714G","","","0.71073","MoKα","","0.0968","0.0691","","","0.1775","0.2006","","","","","","1.024","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217212","13.1445","0.0008","8.7158","0.0005","15.1599","0.0011","90","","99.094","0.006","90","","1714.96","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","mathur, pavan; Kumar, Ravinder","Aerobic Oxidation of 1,10-Phenanthroline to Phen-dione Catalyzed by Copper(II) Complexes of a Benzimidazolyl Schiff Base","RSC Advances","2014","","","","","10.1039/C4RA03651D","","","0.71073","MoKα","","0.0591","0.0455","","","0.1067","0.1134","","","","","","1.036","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217213","8.1881","0.0004","14.3725","0.0007","16.7302","0.0008","69.37","0.004","83.087","0.004","87.734","0.004","1829.21","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cu N4 O4 -","- C21 H18 Cu N4 O4 -","- C84 H72 Cu4 N16 O16 -","4","2","","mathur, pavan; Kumar, Ravinder","Aerobic Oxidation of 1,10-Phenanthroline to Phen-dione Catalyzed by Copper(II) Complexes of a Benzimidazolyl Schiff Base","RSC Advances","2014","","","","","10.1039/C4RA03651D","","","0.71073","MoKα","","0.0355","0.0304","","","0.0745","0.0767","","","","","","1.038","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217214","8.2057","0.0006","23.5851","0.0016","9.752","0.0009","90","","106.423","0.008","90","","1810.3","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl Cu N3 O -","- C21 H18 Cl Cu N3 O -","- C84 H72 Cl4 Cu4 N12 O4 -","4","1","","mathur, pavan; Kumar, Ravinder","Aerobic Oxidation of 1,10-Phenanthroline to Phen-dione Catalyzed by Copper(II) Complexes of a Benzimidazolyl Schiff Base","RSC Advances","2014","","","","","10.1039/C4RA03651D","","","0.71073","MoKα","","0.0772","0.0617","","","0.1245","0.1302","","","","","","1.194","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217215","6.1545","0.0003","6.1545","0.0003","11.4533","0.001","90","","90","","120","","375.7","0.04","200","2","200","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","","Schmidt-Grund, Rüdiger; Richter, Steffen; Ebbinghaus, Stefan G.; Lorenz, Michael; Bundesmann, Carsten; Grundmann, Marius","Electronic transitions and dielectric function tensor of a YMnO3 single crystal in the NIR‒VUV spectral range","RSC Advances","2014","","","","","10.1039/C4RA05036C","","","0.71073","MoKα","","0.0299","0.0176","","","0.0386","0.0398","","","","","","0.958","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217216","17.06","0.0014","29.727","0.003","7.9426","0.0006","90","","90","","90","","4028","0.6","296","2","296","2","","","","","","","","2","I b a 2","I 2 -2c","45","","1-(anthracen-9-yl)pyrene","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Nagarajan, Kalaivanan; Rajagopal, Shinaj K.; Hariharan, Mahesh","C‒H⋯H‒C and C‒H⋯π contacts aid transformation of dimeric to monomeric anthracene in the solid state","CrystEngComm","2014","16","38","8946","","10.1039/C4CE01278J","","","0.71073","MoKα","","0.1139","0.0477","","","0.1091","0.169","","","","","","1.022","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217217","7.357","0.005","10.583","0.005","25.606","0.005","90","","96.097","0.005","90","","1982.4","1.7","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1-(anthracen-9-yl)pyrene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","1","","Nagarajan, Kalaivanan; Rajagopal, Shinaj K.; Hariharan, Mahesh","C‒H⋯H‒C and C‒H⋯π contacts aid transformation of dimeric to monomeric anthracene in the solid state","CrystEngComm","2014","16","38","8946","","10.1039/C4CE01278J","","","0.71073","MoKα","","0.0579","0.0412","","","0.1162","0.137","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217218","16.2326","0.0019","14.5987","0.0019","36.175","0.004","90","","94.93","0.009","90","","8540.9","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 N4 O8 Zn2 -","- C30 H22 N4 O8 Zn2 -","- C240 H176 N32 O64 Zn16 -","8","1","","Safarifard, Vahid; Morsali, Ali","Influence of an amine group on the highly efficient reversible adsorption of iodine in two novel isoreticular interpenetrated pillared-layer microporous metal‒organic frameworks","CrystEngComm","2014","16","37","8660","","10.1039/C4CE01331J","","","0.71073","MoKα","","0.1355","0.0973","","","0.2692","0.2957","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217219","17.1558","0.0006","13.4604","0.0004","36.1586","0.0011","90","","97.233","0.002","90","","8283.4","0.5","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.38 H45.88 N9.13 O11.13 Zn2 -","- C29.921 H19.931 N5.989 O8 Zn2 -","- C239.368 H159.448 N47.912 O64 Zn16 -","8","1","","Safarifard, Vahid; Morsali, Ali","Influence of an amine group on the highly efficient reversible adsorption of iodine in two novel isoreticular interpenetrated pillared-layer microporous metal‒organic frameworks","CrystEngComm","2014","16","37","8660","","10.1039/C4CE01331J","","","0.71073","MoKα","","0.1033","0.0722","","","0.2239","0.24","","","","","","1.15","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217220","5.4732","0.0011","14.309","0.003","11.659","0.002","90","","99.48","0.03","90","","900.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point‒solubility‒structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0671","0.0461","","","0.116","0.1292","","","","","","1.051","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217221","8.746","0.0017","7.217","0.0014","12.799","0.003","90","","92.68","0.03","90","","807","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C32 H36 N4 O8 -","2","0.5","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point‒solubility‒structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0558","0.0409","","","0.1048","0.114","","","","","","1.052","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217222","9.805","0.002","4.8099","0.001","16.66","0.003","90","","98.91","0.03","90","","776.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C32 H36 N4 O8 -","2","0.5","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point‒solubility‒structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0511","0.0382","","","0.1054","0.1125","","","","","","1.077","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217223","6.9477","0.0014","7.1623","0.0014","10.509","0.002","78.17","0.03","73.89","0.03","62.48","0.03","443.7","0.2","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","1","1","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point‒solubility‒structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0429","0.0364","","","0.1037","0.111","","","","","","1.07","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217224","12.616","0.0004","23.0976","0.0008","7.088","0.0003","90","","102.372","0.002","90","","2017.47","0.13","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cu N2 O4 -","- C20 H16 Cu N2 O4 -","- C80 H64 Cu4 N8 O16 -","4","1","","Mahammad, Ali; Biswas, Surajit; Dutta, Arpan; Debnath, Mainak; Dolai, Malay; Jana, Atisdipankar","Copper(II) induced oxidative modification and complexation of a Schiff base Ligand: synthesis, crystal structure, catalytic oxidation of aromatic hydrocarbons and DFT calculation","RSC Advances","2014","","","","","10.1039/C4RA06078D","","","0.71073","MoKα","","0.108","0.0772","","","0.245","0.2677","","","","","","1.079","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217225","12.4818","0.0014","21.763","0.003","16.509","0.002","90","","103.577","0.005","90","","4359.2","0.9","200","2","200","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H41 Ce2 N3 O16 -","- C45 H40 Ce2 N3 O16 -","- C180 H160 Ce8 N12 O64 -","4","0.5","","Liu, Yen-Hsiang; Chien, Po-Hsiu","A series of lanthanide‒organic frameworks possessing arrays of 2D intersecting channels within a 3D pillar-supported packed double-decker network and Co2±induced luminescence modulation","CrystEngComm","2014","16","37","8852","","10.1039/C4CE00461B","","x-ray","0.71073","MoKα","","0.1265","0.0728","","","0.1404","0.1595","","","","","","1.05","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217226","16.135","0.003","26.792","0.005","18.63","0.004","90","","110.57","0.03","90","","7540","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C156 H174 Ca5 O44 -","- C156 H174 Ca5 O44 -","- C312 H348 Ca10 O88 -","2","0.5","","Noh, Kyungkyou; Ko, Nakeun; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon","Two porous metal‒organic frameworks containing zinc‒calcium clusters and calcium cluster chains","CrystEngComm","2014","16","37","8664","","10.1039/C4CE01237B","","","0.8","synchrotron","","0.1006","0.0864","","","0.2614","0.2786","","","","","","1.196","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217227","16.55","0.002","16.55","0.002","14.748","0.003","90","","90","","120","","3498.3","0.9","100","2","100","2","","","","","","","chemical reaction","5","P -3 1 c","-P 3 2c","163","ZnCaBTB","ZnCaBTB","","- C69.25 H65.28 Ca O19.14 Zn2 -","- C69.258 H65.316 Ca O19.136 Zn2 -","- C138.516 H130.632 Ca2 O38.272 Zn4 -","2","0.166667","","Noh, Kyungkyou; Ko, Nakeun; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon","Two porous metal‒organic frameworks containing zinc‒calcium clusters and calcium cluster chains","CrystEngComm","2014","16","37","8664","","10.1039/C4CE01237B","","","0.63","synchrotron","","0.0707","0.0701","","","0.2006","0.201","","","","","","1.187","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217228","22.87","0.005","34.647","0.007","9.535","0.002","90","","90","","90","","7555","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H9 Ag2 Cr2 N12 O7.5 -","- C8 H9 Ag2 Cr2 N12 O7.5 -","- C128 H144 Ag32 Cr32 N192 O120 -","16","1","","Li, Xinxiong; Gong, Yaqiong; Zhao, Huaixia; Wang, Ruihu","Solvent-mediated crystal-to-crystal transformations from a cationic homometallic metal‒organic framework to heterometallic frameworks","CrystEngComm","2014","16","37","8818","","10.1039/C4CE01035C","","","0.71073","MoKα","","0.0204","0.0199","","","0.0474","0.0477","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217229","12.8374","0.0001","13","","13.2175","0.0005","118.924","0.008","102.91","0.015","99.902","0.012","1777.6","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H36 Ag9 Cr8 F6 N36 O34 P -","- C24 H36 Ag9 Cr8 F6 N36 O34 P -","- C24 H36 Ag9 Cr8 F6 N36 O34 P -","1","0.5","","Li, Xinxiong; Gong, Yaqiong; Zhao, Huaixia; Wang, Ruihu","Solvent-mediated crystal-to-crystal transformations from a cationic homometallic metal‒organic framework to heterometallic frameworks","CrystEngComm","2014","16","37","8818","","10.1039/C4CE01035C","","","0.71073","MoKα","","0.0346","0.0321","","","0.0859","0.0877","","","","","","1.061","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217230","15.049","0.005","15.269","0.005","22.867","0.005","75.758","0.005","72.92","0.005","70.938","0.005","4681","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H70 N19 O54 P W11 Zn2.5 -","- C59 H62 N19 O54 P W11 Zn2.5 -","- C118 H124 N38 O108 P2 W22 Zn5 -","2","1","","Song, Bai-Qiao; Wang, Xin-Long; Liang, Jun; Zhang, Yu-Teng; Shao, Kui-Zhan; Su, Zhong-Min","Two hybrid materials assembled from transition metal mono-substituted Keggin polyoxoanions as photocatalysts under visible light","CrystEngComm","2014","16","39","9163","","10.1039/C4CE01148A","","","0.71069","MoKα","","0.0843","0.0465","","","0.0829","0.0966","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217231","15.078","0.005","15.311","0.005","22.73","0.005","76.136","0.005","72.873","0.005","70.769","0.005","4675","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H70 Co2.5 N19 O54 P W11 -","- C59 H60 Co2.5 N19 O53 P W11 -","- C118 H120 Co5 N38 O106 P2 W22 -","2","1","","Song, Bai-Qiao; Wang, Xin-Long; Liang, Jun; Zhang, Yu-Teng; Shao, Kui-Zhan; Su, Zhong-Min","Two hybrid materials assembled from transition metal mono-substituted Keggin polyoxoanions as photocatalysts under visible light","CrystEngComm","2014","16","39","9163","","10.1039/C4CE01148A","","","0.71069","MoKα","","0.0675","0.0465","","","0.1101","0.1227","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217232","18.52","","6.966","","19.193","","90","","97.37","","90","","2455.64","","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Yao, Ching-Fa; R. R, Rajawinslin.; Gawande, Sachin D.; Kavala, Veerababurao; Huang, Yi-Hsiang; Kuo, Chun-Wei; Kuo, Ting-Shen; Chen, Mei-Ling; He, Chiu-Hui","Iron/Acetic acid Mediated Intermolecular Tandem C-C and C-N Bond Formation: An Easy Access to Acridinone and Quinoline Derivatives","RSC Advances","2014","","","","","10.1039/C4RA06410K","","","0.71073","MoKα","","0.0667","0.0409","","","0.1205","0.1545","","","","","","1.082","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217233","6.6756","0.0002","8.2693","0.0003","20.4546","0.0007","90","","90.578","0.002","90","","1129.09","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O4 -","- C13 H11 N O4 -","- C52 H44 N4 O16 -","4","1","","Yao, Ching-Fa; R. R, Rajawinslin.; Gawande, Sachin D.; Kavala, Veerababurao; Huang, Yi-Hsiang; Kuo, Chun-Wei; Kuo, Ting-Shen; Chen, Mei-Ling; He, Chiu-Hui","Iron/Acetic acid Mediated Intermolecular Tandem C-C and C-N Bond Formation: An Easy Access to Acridinone and Quinoline Derivatives","RSC Advances","2014","","","","","10.1039/C4RA06410K","","","0.71073","MoKα","","0.0514","0.0459","","","0.1212","0.1261","","","","","","1.058","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217234","8.2359","0.0018","9.5653","0.0014","12.615","0.002","90","","99.791","0.007","90","","979.3","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","","Yao, Ching-Fa; R. R, Rajawinslin.; Gawande, Sachin D.; Kavala, Veerababurao; Huang, Yi-Hsiang; Kuo, Chun-Wei; Kuo, Ting-Shen; Chen, Mei-Ling; He, Chiu-Hui","Iron/Acetic acid Mediated Intermolecular Tandem C-C and C-N Bond Formation: An Easy Access to Acridinone and Quinoline Derivatives","RSC Advances","2014","","","","","10.1039/C4RA06410K","","","0.71073","MoKα","","0.0731","0.0497","","","0.119","0.1345","","","","","","1.041","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217235","12.3365","0.0002","16.4543","0.0003","8.1193","0.00017","90","","97.8902","0.0019","90","","1632.52","0.05","111","2","111","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Thatcher, Robert; Newby, Thomas; Price, Peter; Loyns, Colin; Chechik, Victor","A new intermediate in spontaneous styrene polymerisation inhibited by 2-nitrophenol","RSC Advances","2014","","","","","10.1039/C4RA05443A","","","0.71071","MoKα","","0.0668","0.0526","","","0.1278","0.1351","","","","","","1.14","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217236","8.6089","0.0007","9.962","0.0009","10.0051","0.0008","77.586","0.007","79.97","0.007","71.479","0.008","789.38","0.12","110.05","0.1","110.05","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N O -","- C22 H17 N O -","- C44 H34 N2 O2 -","2","1","","Thatcher, Robert; Newby, Thomas; Price, Peter; Loyns, Colin; Chechik, Victor","A new intermediate in spontaneous styrene polymerisation inhibited by 2-nitrophenol","RSC Advances","2014","","","","","10.1039/C4RA05443A","","","0.7107","MoKα","","0.0451","0.0395","","","0.0969","0.101","","","","","","1.052","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217237","4.5734","0.0004","17.8195","0.0013","13.269","0.0011","90","","91.727","0.004","90","","1080.88","0.15","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 O3 -","- C13 H10 O3 -","- C52 H40 O12 -","4","1","","Hemamalini, Arasappan; Mohan das, Thangamuthu","Studies on the synthesis of sugar triazole based ligand for protein and DNA binding","RSC Advances","2014","","","","","10.1039/C4RA04084H","","","0.71073","MoKα","","0.077","0.0452","","","0.1357","0.1673","","","","","","0.9","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217238","4.9212","0.0006","16.858","0.002","13.4277","0.0017","90","","98.252","0.005","90","","1102.4","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 O3 -","- C13 H10 O3 -","- C52 H40 O12 -","4","1","","Hemamalini, Arasappan; Mohan das, Thangamuthu","Studies on the synthesis of sugar triazole based ligand for protein and DNA binding","RSC Advances","2014","","","","","10.1039/C4RA04084H","","","0.71073","MoKα","","0.0667","0.0407","","","0.1037","0.1207","","","","","","1.09","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217239","8.7929","0.0007","13.7425","0.0011","14.3194","0.0011","90","","99.284","0.005","90","","1707.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Zn2(bpma)2(adc)2]n","","","- C34 H30 N6 O8 Zn2 -","- C34 H30 N6 O8 Zn2 -","- C68 H60 N12 O16 Zn4 -","2","0.5","","Khullar, Sadhika; Mandal, Sanjay","Non-hydrothermal synthesis, structural characterization and thermochemistry of water soluble and neutral coordination polymers of Zn(II) and Cd(II): precursors for the submicron-sized crystalline ZnO/CdO","RSC Advances","2014","","","","","10.1039/C4RA03928A","","","0.71073","MoKα","","0.1323","0.0548","","","0.1115","0.1409","","","","","","0.96","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217240","8.7267","0.0007","14.112","0.0013","14.2172","0.0014","90","","98.5","0.004","90","","1731.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Zn2(adc)2(bpea)2]n","","","- C36 H34 N6 O8 Zn2 -","- C36 H34 N6 O8 Zn2 -","- C72 H68 N12 O16 Zn4 -","2","0.5","","Khullar, Sadhika; Mandal, Sanjay","Non-hydrothermal synthesis, structural characterization and thermochemistry of water soluble and neutral coordination polymers of Zn(II) and Cd(II): precursors for the submicron-sized crystalline ZnO/CdO","RSC Advances","2014","","","","","10.1039/C4RA03928A","","","0.71073","MoKα","","0.0411","0.0301","","","0.0767","0.0825","","","","","","1.053","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217241","13.33","0.002","13.669","0.003","22.655","0.004","90","","90","","90","","4127.9","1.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","{[Zn2(bpta)2(adc)2].2H2O}n","","","- C40 H46 N6 O10 Zn2 -","- C40 H46 N6 O10 Zn2 -","- C160 H184 N24 O40 Zn8 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay","Non-hydrothermal synthesis, structural characterization and thermochemistry of water soluble and neutral coordination polymers of Zn(II) and Cd(II): precursors for the submicron-sized crystalline ZnO/CdO","RSC Advances","2014","","","","","10.1039/C4RA03928A","","","0.71073","MoKα","","0.0952","0.0421","","","0.0971","0.1205","","","","","","0.949","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217242","15.3785","0.0018","16.502","0.0009","16.6992","0.001","117.123","0.002","97.071","0.003","94.552","0.003","3698.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Cd2(bpea)2(adc)2]n","","","- C72 H68 Cd4 N12 O16 -","- C72 H63 Cd4 N12 O16 -","- C144 H126 Cd8 N24 O32 -","2","1","","Khullar, Sadhika; Mandal, Sanjay","Non-hydrothermal synthesis, structural characterization and thermochemistry of water soluble and neutral coordination polymers of Zn(II) and Cd(II): precursors for the submicron-sized crystalline ZnO/CdO","RSC Advances","2014","","","","","10.1039/C4RA03928A","","","0.71073","MoKα","","0.0523","0.044","","","0.1094","0.1134","","","","","","1.104","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217243","14.056","0.005","13.731","0.004","22.565","0.008","90","","90","","90","","4355","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cd2(bpata)2(adc)2]n","","","- C40 H46 Cd2 N6 O10 -","- C40 H46 Cd2 N6 O10 -","- C160 H184 Cd8 N24 O40 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay","Non-hydrothermal synthesis, structural characterization and thermochemistry of water soluble and neutral coordination polymers of Zn(II) and Cd(II): precursors for the submicron-sized crystalline ZnO/CdO","RSC Advances","2014","","","","","10.1039/C4RA03928A","","","0.71073","MoKα","","0.0889","0.0429","","","0.0789","0.0924","","","","","","0.869","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217244","13.1609","0.0005","17.9462","0.0006","18.4789","0.0007","90","","90","","90","","4364.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cd2(bpba)2(adc)2]n","","","- C46 H38 Cd2 N6 O8 -","- C46 H38 Cd2 N6 O8 -","- C184 H152 Cd8 N24 O32 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay","Non-hydrothermal synthesis, structural characterization and thermochemistry of water soluble and neutral coordination polymers of Zn(II) and Cd(II): precursors for the submicron-sized crystalline ZnO/CdO","RSC Advances","2014","","","","","10.1039/C4RA03928A","","","0.71073","MoKα","","0.0487","0.0273","","","0.0546","0.0616","","","","","","1.033","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217245","9.2061","0.0011","11.3907","0.0015","9.991","0.0018","90","","107.692","0.016","90","","998.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cu5 N18 -","- C6 H18 Cu5 N18 -","- C12 H36 Cu10 N36 -","2","0.5","","Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","Cyano and end-to-end azido bridged 3D copper(II)-copper(I) mixed-valence coordination polymer and its transformation to copper nitride nanoparticles.","RSC Advances","2014","","","","","10.1039/C4RA05980H","","","0.71073","MoKα","","0.0883","0.0643","","","0.1518","0.1687","","","","","","1.017","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217246","6.3785","0.0007","7.4502","0.0015","12.6761","0.0015","90","","90","","90","","602.38","0.16","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu H6 N8 -","- Cu H6 N8 -","- Cu4 H24 N32 -","4","0.5","","Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","Cyano and end-to-end azido bridged 3D copper(II)-copper(I) mixed-valence coordination polymer and its transformation to copper nitride nanoparticles.","RSC Advances","2014","","","","","10.1039/C4RA05980H","","","0.71073","MoKα","","0.0301","0.0267","","","0.0692","0.0719","","","","","","1.124","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217247","9.3703","0.0003","12.6234","0.0003","9.3981","0.0003","90","","98.559","0.003","90","","1099.27","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 Cu3 N7 -","- C4 H9 Cu3 N7 -","- C16 H36 Cu12 N28 -","4","1","","Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","Cyano and end-to-end azido bridged 3D copper(II)-copper(I) mixed-valence coordination polymer and its transformation to copper nitride nanoparticles.","RSC Advances","2014","","","","","10.1039/C4RA05980H","","","0.71073","MoKα","","0.091","0.089","","","0.2171","0.2177","","","","","","1.294","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217248","22.8796","0.0005","7.1945","0.0001","25.1019","0.0018","90","","90","","90","","4132","0.3","143","","143","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N5 O5 Si -","- C20 H25 N5 O5 Si -","- C160 H200 N40 O40 Si8 -","8","1","","Singh, Gurjaspreet; Mangat, SatinderPal Singh; Sharma, Hemant; Singh, Jandeep; Arora, Aanchal; Pannu, Ajay Pal Singh; Singh, Narinder","Design and Syntheses of Novel Fluorescent Organosilicon‒Based Chemosensors Through Click Silylation: Detection of Biogenic Amines","RSC Advances","2014","","","","","10.1039/C4RA02270J","","","1.54178","CuKα","","0.0503","0.0456","","","0.1277","0.1295","","","","","","1.15","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217249","10.48","0.005","10.536","0.004","11.09","0.005","63.047","0.005","73.639","0.003","65.682","0.005","987.8","0.8","163","","163","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H29 N5 O4 Si -","- C16 H29 N5 O4 Si -","- C32 H58 N10 O8 Si2 -","2","1","","Singh, Gurjaspreet; Mangat, SatinderPal Singh; Sharma, Hemant; Singh, Jandeep; Arora, Aanchal; Pannu, Ajay Pal Singh; Singh, Narinder","Design and Syntheses of Novel Fluorescent Organosilicon‒Based Chemosensors Through Click Silylation: Detection of Biogenic Amines","RSC Advances","2014","","","","","10.1039/C4RA02270J","","","1.54178","CuKα","","0.0534","0.0454","","","0.1276","0.174","","","","","","1.204","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217250","23.2106","0.0005","11.4407","0.0003","14.1836","0.001","90","","127.208","0.009","90","","2999.7","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 N4 O4 Si -","- C12 H22 N4 O4 Si -","- C96 H176 N32 O32 Si8 -","8","1","","Singh, Gurjaspreet; Mangat, SatinderPal Singh; Sharma, Hemant; Singh, Jandeep; Arora, Aanchal; Pannu, Ajay Pal Singh; Singh, Narinder","Design and Syntheses of Novel Fluorescent Organosilicon‒Based Chemosensors Through Click Silylation: Detection of Biogenic Amines","RSC Advances","2014","","","","","10.1039/C4RA02270J","","","1.54178","CuKα","","0.0623","0.0529","","","0.1443","0.1653","","","","","","1.154","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217251","17.297","0.002","30.446","0.004","14.7303","0.0019","90","","90","","90","","7757.3","1.7","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H17 N3 Ni O6 -","- C20 H17 N3 Ni O6 -","- C320 H272 N48 Ni16 O96 -","16","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0733","0.0684","","","0.1784","0.1824","","","","","","1.165","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217252","11.723","0.002","22.957","0.006","31.011","0.011","90","","90","","90","","8346","4","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H28 N6 Ni2 O9 -","- C40 H28 N6 Ni2 O9 -","- C320 H224 N48 Ni16 O72 -","8","0.5","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.046","0.0432","","","0.1066","0.1076","","","","","","1.142","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217253","10.4229","0.0005","10.5611","0.0006","12.2119","0.0006","114.782","0.003","109.889","0.004","96.087","0.003","1097.92","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N3 O7 Zn2 -","- C24 H16 N3 O7 Zn2 -","- C48 H32 N6 O14 Zn4 -","2","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0583","0.0537","","","0.1472","0.1533","","","","","","1.106","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217254","7.5106","0.0002","31.1959","0.0007","10.5537","0.0003","90","","118.658","0.002","90","","2169.82","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O9 Zn2 -","- C22 H15 N3 O9 Zn2 -","- C88 H60 N12 O36 Zn8 -","4","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0867","0.0774","","","0.213","0.2229","","","","","","1.198","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217255","7.2889","0.0004","9.7098","0.0005","13.6547","0.0007","95.558","0.001","90.979","0.001","93.688","0.001","959.59","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N3 O8 Zn -","- C21 H15 N3 O8 Zn -","- C42 H30 N6 O16 Zn2 -","2","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.1166","0.0788","","","0.203","0.2498","","","","","","1.025","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217256","20.233","0.004","10.901","0.002","20.355","0.004","90","","115.467","0.01","90","","4053.3","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 N6 O15 Zn4 -","- C42 H26 N6 O15 Zn4 -","- C168 H104 N24 O60 Zn16 -","4","0.5","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0906","0.0842","","","0.2378","0.2432","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217257","14.2985","0.0004","12.5882","0.0003","14.4371","0.0004","90","","112.007","0.001","90","","2409.23","0.11","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Co N4 O10 -","- C20 H22 Co N4 O10 -","- C80 H88 Co4 N16 O40 -","4","1","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0565","0.0424","","","0.124","0.1347","","","","","","1.057","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217258","6.728","0.0002","8.6182","0.0002","10.0558","0.0003","97.302","0.001","97.195","0.001","92.055","0.001","572.99","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Co N4 O6 -","- C22 H22 Co N4 O6 -","- C22 H22 Co N4 O6 -","1","0.5","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0305","0.0295","","","0.0852","0.0861","","","","","","1.079","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217259","19.004","0.0004","6.6043","0.0001","15.8025","0.0004","90","","111.595","0.002","90","","1844.13","0.07","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","0.5","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0364","0.0316","","","0.0879","0.0907","","","","","","1.091","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217260","10.088","0.005","12.001","0.005","12.044","0.005","84.583","0.005","67.262","0.005","82.802","0.005","1332.5","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 N6 O4 Zn -","- C29 H25 N6 O4 Zn -","- C58 H50 N12 O8 Zn2 -","2","1","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0564","0.0396","","","0.0882","0.0947","","","","","","1.046","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217261","15.976","0.005","6.097","0.005","20.824","0.005","90","0.005","100.578","0.005","90","0.005","1993.9","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cd N4 O5 -","- C20 H16 Cd N4 O5 -","- C80 H64 Cd4 N16 O20 -","4","0.5","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0299","0.0258","","","0.0556","0.0574","","","","","","1.043","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217262","13.296","0.001","20.271","0.002","18.723","0.001","90","","114.535","0.003","90","","4590.6","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Cl4 O5 P2 Zn2 -","- C44 H42 Cl4 O5 P2 Zn2 -","- C176 H168 Cl16 O20 P8 Zn8 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.201","0.0868","","","0.1801","0.2413","","","","","","1.027","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217263","19.851","0.001","19.805","0.001","12.606","0.001","90","","105.37","0.003","90","","4778.8","0.5","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C84 H88 Cd2 Cl8 Cu2 O14 P4 -","- C84 H88 Cd2 Cl8 Cu2 O14 P4 -","- C168 H176 Cd4 Cl16 Cu4 O28 P8 -","2","0.25","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.1684","0.0392","","","0.0699","0.0985","","","","","","0.845","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217264","13.439","0.004","12.495","0.004","21.984","0.005","90","","90.006","0.005","90","","3691.6","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cl2 Hg O6 P2 -","- C36 H44 Cl2 Hg O6 P2 -","- C144 H176 Cl8 Hg4 O24 P8 -","4","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0495","0.0413","","","0.0798","0.0825","","","","","","1.132","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217265","18.38","0.01","12.946","0.007","18.556","0.01","90","","97.26","0.01","90","","4380","4","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 Cd Cl2 O8 P2 -","- C44 H50 Cd Cl2 O8 P2 -","- C176 H200 Cd4 Cl8 O32 P8 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.1267","0.0702","","","0.1691","0.1924","","","","","","0.943","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217266","19.11","0.002","19.11","0.002","17.309","0.002","90","","90","","90","","6321.1","1.2","150","2","150","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C64 H66 Cd Cl4 O8 P4 -","- C64 H66 Cd Cl4 O8 P4 -","- C256 H264 Cd4 Cl16 O32 P16 -","4","0.25","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0463","0.0332","","","0.0616","0.0648","","","","","","0.931","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217267","9.565","0.001","9.761","0.001","23.907","0.003","90","","91.139","0.002","90","","2231.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Cl2 O3 P Zn -","- C22 H23 Cl2 O3 P Zn -","- C88 H92 Cl8 O12 P4 Zn4 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0316","0.0268","","","0.0705","0.0729","","","","","","1.047","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217268","9.822","0.001","9.894","0.001","12.303","0.001","76.679","0.001","80.871","0.001","76.246","0.001","1123.22","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 Cl4 Hg2 O4 P2 -","- C44 H42 Cl4 Hg2 O4 P2 -","- C44 H42 Cl4 Hg2 O4 P2 -","1","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0233","0.0204","","","0.0491","0.0506","","","","","","1.007","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217269","18.129","0.003","12.883","0.002","18.871","0.003","90","","98.154","0.002","90","","4362.9","1.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H46 Cl2 O6 P2 Zn -","- C44 H46 Cl2 O6 P2 Zn -","- C176 H184 Cl8 O24 P8 Zn4 -","4","2","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.1553","0.0551","","","0.1185","0.1443","","","","","","0.829","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217270","13.1156","0.0004","14.2632","0.0004","14.7819","0.0004","95.833","0.001","101.823","0.001","115.618","0.001","2383.17","0.12","198","2","198","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H100 Cd2 Cl8 O20 P4 Zn2 -","- C84 H76 Cd2 Cl8 O8 P4 Zn2 -","- C84 H76 Cd2 Cl8 O8 P4 Zn2 -","1","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0623","0.0421","","","0.1187","0.124","","","","","","0.972","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217271","13.1245","0.0005","17.9402","0.0006","18.6539","0.0007","90","","90","","90","","4392.2","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 Cl2 O11 P2 Zn -","- C42 H52 Cl2 O11 P2 Zn -","- C168 H208 Cl8 O44 P8 Zn4 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0322","0.0279","","","0.0694","0.0715","","","","","","1.036","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217272","9.991","0.003","10.612","0.003","24.958","0.006","90","","104.45","0.009","90","","2562.5","1.2","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C54 H50 Cd Cl2 O6 P2 -","- C54 H46 Cd Cl2 O6.01 P2 -","- C108 H92 Cd2 Cl4 O12.02 P4 -","2","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0584","0.0471","","","0.1583","0.1653","","","","","","1.162","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217273","12.296","0.001","15.163","0.002","16.486","0.002","91.587","0.001","95.492","0.001","104.08","0.001","2963.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H124 Cl2 Cu2 O21 P4 -","- C126 H120 Cl2 Cu2 O21 P4 -","- C126 H120 Cl2 Cu2 O21 P4 -","1","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0906","0.0554","","","0.1393","0.1525","","","","","","0.985","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217274","13.451","0.002","12.557","0.002","22.015","0.003","90","","90.216","0.002","90","","3718.4","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cl2 O6 P2 Zn -","- C36 H44 Cl2 O6 P2 Zn -","- C144 H176 Cl8 O24 P8 Zn4 -","4","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0472","0.0421","","","0.1226","0.1264","","","","","","1.006","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217275","11.0572","0.0017","11.7719","0.0011","12.2096","0.0017","69.518","0.011","67.483","0.014","65.832","0.012","1303.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H42 Cu6 O18 -","- C60 H42 Cu6 O18 -","- C60 H42 Cu6 O18 -","1","0.5","","Chakraborty, Anindita; Kumar, Ramachandran Krishna; Yamijala, Sharma SRK Chaitanya; Pati, Swapan; Maji, Tapas Kumar","A hexanuclear Cu(I) cluster supported by cuprophilic interaction: Effects of aromatics on luminescence properties","RSC Advances","2014","","","","","10.1039/C4RA06183G","","","0.71073","MoKα","","0.0855","0.0534","","","0.1296","0.1616","","","","","","1.054","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217276","9.0727","0.0002","9.076","0.0002","15.3648","0.0003","106.099","0.002","90.817","0.002","93.146","0.002","1213.18","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[diaquabis-μ-{N, N-bis(3-pyridyl)butanediamido}cadmium(II) perchlorate dihydrate]","","- C32 H44 Cd Cl2 N8 O16 -","- C32 H40 Cd Cl2 N8 O16 -","- C32 H40 Cd Cl2 N8 O16 -","1","0.5","","Suman, Kumari; Baig, Fayaz; Kant, Rajani; Gupta, Vivek; Mandal, Sanjay; Sarkar, Madhushree","Is Metal Metathesis a Framework-Templating Strategy to Synthesize Coordination Polymers? Transmetallation Studies involving Flexible ligands","RSC Advances","2014","","","","","10.1039/C4RA04166F","","","0.71073","MoKα","","0.0629","0.0595","","","0.1679","0.1728","","","","","","1.023","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217277","11.3423","0.0003","19.2826","0.0007","9.5549","0.0003","90","","90","","90","","2089.74","0.11","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","catena-poly[diaquabis-μ-{N, N-bis(3-pyridyl)butanediamido}copper (II) perchlorate dihydrate]","","- C32 H44 Cl2 Cu N8 O16 -","- C32 H44 Cl2 Cu N8 O16 -","- C64 H88 Cl4 Cu2 N16 O32 -","2","0.5","","Suman, Kumari; Baig, Fayaz; Kant, Rajani; Gupta, Vivek; Mandal, Sanjay; Sarkar, Madhushree","Is Metal Metathesis a Framework-Templating Strategy to Synthesize Coordination Polymers? Transmetallation Studies involving Flexible ligands","RSC Advances","2014","","","","","10.1039/C4RA04166F","","","0.71073","MoKα","","0.0853","0.0679","","","0.1726","0.1867","","","","","","0.972","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217278","40.4991","0.0018","5.9278","0.0001","16.1917","0.0006","90","","106.414","0.006","90","","3728.7","0.3","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 O2 S -","- C23 H24 O2 S -","- C184 H192 O16 S8 -","8","1","","Zade, Sanjio S.; Bedi, Anjan; Debnath, Sashi; Chandak, Hemant S.","Phenyl-capped cyclopenta[c]chalcogenophenes: synthesis, crystal structures, electrochemistry and theoretical insights","RSC Advances","2014","","","","","10.1039/C4RA05687F","","","0.71073","MoKα","","0.0381","0.0356","","","0.086","0.0879","","","","","","1.09","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217279","34.8342","0.0019","5.7765","0.0003","22.9523","0.0012","90","","123.607","0.001","90","","3846.5","0.4","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 O2 Se -","- C23 H24 O2 Se -","- C184 H192 O16 Se8 -","8","1","","Zade, Sanjio S.; Bedi, Anjan; Debnath, Sashi; Chandak, Hemant S.","Phenyl-capped cyclopenta[c]chalcogenophenes: synthesis, crystal structures, electrochemistry and theoretical insights","RSC Advances","2014","","","","","10.1039/C4RA05687F","","","0.71073","MoKα","","0.0307","0.0239","","","0.0547","0.0572","","","","","","1.079","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217280","27.1582","0.0014","28.5362","0.0013","24.0085","0.0011","90","","113.869","0.001","90","","17015","1.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","PPh4-Aletbat","","","- C86.5 H113 Al Cl5 O4 P -","- C86.5 H113 Al Cl5 O4 P -","- C692 H904 Al8 Cl40 O32 P8 -","8","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1435","0.0843","","","0.2228","0.2696","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217281","16.4252","0.001","16.4896","0.001","29.6929","0.0018","90","","102.666","0.001","90","","7846.5","0.8","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Li(thf)4-Aletbat","","","- C77 H122 Al Cl2 Li O8 -","- C77 H122 Al Cl2 Li O8 -","- C308 H488 Al4 Cl8 Li4 O32 -","4","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1094","0.0789","","","0.2113","0.2375","","","","","","1.013","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217282","14.1898","0.0002","14.7188","0.0003","19.354","0.0004","83.112","0.001","89.299","0.001","71.328","0.001","3800.35","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Na(thf)4 Aletbat","","","- C76 H120 Al Na O8 -","- C76 H120 Al Na O8 -","- C152 H240 Al2 Na2 O16 -","2","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1158","0.07","","","0.1787","0.2055","","","","","","1.039","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217283","24.3711","0.0015","24.6465","0.0015","25.3492","0.0015","90","","90","","90","","15226.3","1.6","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","NBu4-Aletbat","","","- C77 H126 Al Cl2 N O4 -","- C77 H126 Al Cl2 N O4 -","- C616 H1008 Al8 Cl16 N8 O32 -","8","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1351","0.0788","","","0.1755","0.2123","","","","","","1.019","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217284","5.9662","0.0013","10.201","0.002","14.27","0.003","101.025","0.005","93.011","0.005","104.712","0.005","819.8","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Aletbat Bisphenol","","","- C34 H52 N2 O2 -","- C34 H52 N2 O2 -","- C34 H52 N2 O2 -","1","0.5","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1321","0.07","","","0.1515","0.1785","","","","","","1.06","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217285","24.5162","0.0013","14.2702","0.0007","27.0151","0.0013","90","","90","","90","","9451.3","0.8","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","IPrAuSMe2-Aletbat","","","- C94 H142 Al Au N2 O4 S -","- C94 H142 Al Au N2 O4 S -","- C376 H568 Al4 Au4 N8 O16 S4 -","4","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.0908","0.0586","","","0.1074","0.1213","","","","","","1.023","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217286","11.081","0.002","23.961","0.006","24.439","0.006","90","","101.533","0.007","90","","6358","3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Na(thf)2-Aletbat","","","- C68 H104 Al Na O6 -","- C68 H104 Al Na O6 -","- C272 H416 Al4 Na4 O24 -","4","0.5","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1865","0.1312","","","0.3141","0.3504","","","","","","1.085","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217287","9.971","0.004","11.013","0.004","19.557","0.008","90","","94.091","0.014","90","","2142.1","1.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Alphetbat Brommmethyphenol","","","- C25 H27 Br O -","- C25 H27 Br O -","- C100 H108 Br4 O4 -","4","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.094","0.052","","","0.1142","0.1336","","","","","","1.037","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217288","23.87","0.02","23.87","0.02","10.781","0.009","90","","90","","90","","6143","9","200","2","200","2","","","","","","","","3","I 41/a","-I 4ad","88","Aletpat Bisphenol","","","- C34 H54 O2 -","- C34 H54 O2 -","- C272 H432 O16 -","8","","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1811","0.1123","","","0.2622","0.3016","","","","","","1.089","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217289","23.163","0.002","27.127","0.003","30.989","0.003","115.645","0.002","99.092","0.003","100.786","0.003","16604","3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","PPh4-Aletpat","","","- C92 H124 Al O4 P -","- C92 H124 Al O4 P -","- C736 H992 Al8 O32 P8 -","8","4","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1781","0.0947","","","0.2477","0.303","","","","","","1.035","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217290","11.466","0.003","11.745","0.003","11.838","0.003","71.639","0.007","75.918","0.007","72.993","0.007","1426.7","0.6","200","2","200","2","","","","","","","","3","P -1","-P 1","2","Alphetbat Bisphenol","","","- C66 H86 O6 -","- C66 H86 O6 -","- C66 H86 O6 -","1","0.5","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.0888","0.0593","","","0.1473","0.1689","","","","","","1.031","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217291","14.8662","0.0015","33.789","0.004","27.09","0.003","90","","94.019","0.004","90","","13574","3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PPh4-Alphetbat","","","- C136 H152 Al Cl4 O4 P -","- C136 H152 Al Cl4 O4 P -","- C544 H608 Al4 Cl16 O16 P4 -","4","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1585","0.1064","","","0.3107","0.3518","","","","","","1.227","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217292","10.984","0.002","12.777","0.003","11.583","0.003","90","","113.488","0.002","90","","1490.9","0.6","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-(4-Fluoro-phenyl)-3-phenyl-1,5,6,7-tedrahydro-indol-4-one","","","- C20 H16 F N O -","- C20 H16 F N O -","- C80 H64 F4 N4 O4 -","4","1","","Kaladevi, Selvam; Sridhar, Jeyaraman; Abhilashamole, Brahmanandan; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Synthesis of substituted 1,3-diaryl-6,7-dihydro-1H-indol-4(5H)-ones from 1-aryl-2-arylaminoethanones","RSC Advances","2014","","","","","10.1039/C4RA03975K","","","0.71073","MoKα","","0.0471","0.0394","","","0.1005","0.106","","","","","","1.039","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217293","10.4242","0.0002","9.1757","0.0001","24.4086","0.0005","90","","100.971","0.001","90","","2292","0.07","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H27.5 Cl2 Mn N5 O1.5 -","- C19.5 H27.5 Cl2 Mn N5 O1.5 -","- C78 H110 Cl8 Mn4 N20 O6 -","4","1","","Panja, Anangamohan","Metal ionic size directed complexation in manganese(II) coordination chemistry: Efficient candidates showing phenoxazinone synthase mimicking activity","RSC Advances","2014","","","","","10.1039/C4RA03427A","","","0.71073","MoKα","","0.0786","0.0479","","","0.1315","0.1463","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217294","19.262","0.0003","11.796","0.00001","17.129","0.0003","90","","122.207","0.005","90","","3293.1","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H22 Cl2 Mn N4 -","- C13 H22 Cl2 Mn N4 -","- C104 H176 Cl16 Mn8 N32 -","8","1","","Panja, Anangamohan","Metal ionic size directed complexation in manganese(II) coordination chemistry: Efficient candidates showing phenoxazinone synthase mimicking activity","RSC Advances","2014","","","","","10.1039/C4RA03427A","","","0.71073","MoKα","","0.0279","0.0244","","","0.0645","0.071","","","","","","1.071","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7217295","15.022","0.003","16.858","0.003","10.804","0.002","90","","105.334","0.003","90","","2638.6","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 O3 -","- C32 H26 N2 O3 -","- C128 H104 N8 O12 -","4","1","","Mondal, Animesh; Brown, Mike; Mukhopadhyay, Chhanda","Multicomponent, one-pot and expeditous synthesis of highly substituted new spiro[indolo-3,10´-indeno[1,2-b]quinolin]-2,4,11´-triones under micellar catalytic effect of CTAB in water","RSC Advances","2014","","","","","10.1039/C4RA04918G","","","0.71073","MoKα","","0.13","0.0866","","","0.2517","0.2907","","","","","","1.025","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217296","9.944","0.0006","11.9081","0.0007","15.8436","0.001","93.39","0.002","103.796","0.002","110.449","0.002","1686.12","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 N2 O7 S2 -","- C36 H36 N2 O7 S2 -","- C72 H72 N4 O14 S4 -","2","1","","Mondal, Animesh; Brown, Mike; Mukhopadhyay, Chhanda","Multicomponent, one-pot and expeditous synthesis of highly substituted new spiro[indolo-3,10´-indeno[1,2-b]quinolin]-2,4,11´-triones under micellar catalytic effect of CTAB in water","RSC Advances","2014","","","","","10.1039/C4RA04918G","","","0.71073","MoKα","","0.1143","0.0984","","","0.3346","0.3596","","","","","","1.53","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217297","10.798","0.003","10.365","0.003","11.341","0.003","90","","110.287","0.004","90","","1190.6","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7'-Amino-1'<i>H</i>-spiro[cycloheptane-1,2'-pyrimido[4,5-<i>d</i>]pyrimidin]- 4'(3'<i>H</i>)-one","","- C12 H17 N5 O -","- C12 H17 N5 O -","- C48 H68 N20 O4 -","4","1","","Liu, Mingxing; Li, Jiarong; Chen, Shu; Huang, Danfei; Chai, Hongxing; Zhang, Qi; Shi, Daxin","One-pot NHC-Assisted Access to 2,3-Dihydropyrimido[4,5-d]pyrimidin-4(1H)-ones","RSC Advances","2014","","","","","10.1039/C4RA05346J","","","0.71073","MoKα","","0.0585","0.0544","","","0.1263","0.1291","","","","","","1","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217298","9.0285","0.0015","12.877","0.002","17.446","0.003","90","","119.823","0.007","90","","1759.7","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl2 N2 Ru -","- C17 H20 Cl2 N2 Ru -","- C68 H80 Cl8 N8 Ru4 -","4","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0959","0.0912","","","0.1606","0.1622","","","","","","1.41","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217299","10.1443","0.0017","18.539","0.003","11.6609","0.0015","90","","122.58","0.01","90","","1847.9","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 N2 O0 Ru -","- C18 H22 Cl2 N2 Ru -","- C72 H88 Cl8 N8 Ru4 -","4","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0588","0.0537","","","0.15","0.1577","","","","","","1.334","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217300","9.24","0.002","21.764","0.005","9.576","0.002","90","","102.591","0.004","90","","1879.4","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cl2 N O2 Ru -","- C18 H23 Cl2 N O2 Ru -","- C72 H92 Cl8 N4 O8 Ru4 -","4","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0856","0.0827","","","0.1395","0.1405","","","","","","1.363","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217301","7.8773","0.0016","9.0893","0.0019","14.82","0.003","87.187","0.004","83.837","0.003","70.569","0.003","994.8","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Cl2 N O2 Ru -","- C18 H23 Cl2 N O2 Ru -","- C36 H46 Cl4 N2 O4 Ru2 -","2","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0556","0.0544","","","0.1615","0.1662","","","","","","1.427","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217302","9.7344","0.0014","13.158","0.002","16.451","0.002","97.681","0.003","92.007","0.003","106.116","0.003","2000.4","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H25 Cl2 N O2 Ru -","- C19 H25 Cl2 N O2 Ru -","- C76 H100 Cl8 N4 O8 Ru4 -","4","2","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.1103","0.0998","","","0.2314","0.2391","","","","","","1.297","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217303","7.8252","0.0017","9.227","0.002","17.196","0.004","77.288","0.004","80.06","0.004","69.45","0.004","1127.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 Cl2 N O2 Ru -","- C21 H29 Cl2 N O2 Ru -","- C42 H58 Cl4 N2 O4 Ru2 -","2","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0703","0.0686","","","0.1596","0.1677","","","","","","1.286","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217304","13.381","0.0014","8.933","0.0009","13.2711","0.0013","90","","95.693","0.002","90","","1578.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl2 N O2 Ru -","- C15 H17 Cl2 N O2 Ru -","- C60 H68 Cl8 N4 O8 Ru4 -","4","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.1451","0.1411","","","0.2543","0.2562","","","","","","1.441","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217305","6.6232","0.0008","8.5047","0.001","16.752","0.002","101.87","0.002","96.297","0.003","98.447","0.002","903.83","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Cl2 N O2 Ru -","- C17 H21 Cl2 N O2 Ru -","- C34 H42 Cl4 N2 O4 Ru2 -","2","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.1424","0.1364","","","0.2832","0.2899","","","","","","1.334","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217306","8.351","0.003","44.438","0.017","11.41","0.004","90","","98.532","0.005","90","","4187","3","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel","","- C45 H57 N O14 -","- C45 H57 N O14 -","- C180 H228 N4 O56 -","4","2","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.1306","0.0989","","","0.2557","0.276","","","","","","1.051","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217307","8.506","0.005","45.16","0.02","11.675","0.006","90","","98.362","0.004","90","","4437","4","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel hemihydrate","","- C45 H57.5 N O14.25 -","- C45 H57.5 N O14.25 -","- C180 H230 N4 O57 -","4","2","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.1349","0.1002","","","0.2622","0.2838","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217308","12.542","0.002","8.6716","0.0016","42.09","0.008","90","","89.987","0.002","90","","4577.7","1.4","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel ethanol solvate hemihydrate","","- C47 H63 N O15.5 -","- C47 H63 N O15.5 -","- C188 H252 N4 O62 -","4","2","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.0575","0.0549","","","0.143","0.1456","","","","","","1.101","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217309","11.778","0.005","17.208","0.007","12.339","0.005","90","","109.747","0.005","90","","2353.8","1.7","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel tetrahydrofurane solvate","","- C45 H57 N O14 -","- C48.5 H64.02 N O15 -","- C97 H128.04 N2 O30 -","2","1","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.1093","0.0869","","","0.1698","0.1789","","","","","","1.126","","","","has coordinates,has disorder","180504","2020-10-21","18:00:00",""
"7217310","11.725","0.002","17.328","0.003","12.449","0.002","90","","110.453","0.002","90","","2369.8","0.7","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel Acetone Solvate","","- C48 H63 N O15 -","- C48 H63 N O15 -","- C96 H126 N2 O30 -","2","1","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.0334","0.0317","","","0.0805","0.0817","","","","","","1.032","","","","has coordinates,has disorder","180504","2020-10-21","18:00:00",""
"7217311","11.538","0.005","12.683","0.005","15.657","0.005","108.147","0.005","92.156","0.005","109.194","0.005","2031","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H31 Co N6 O14 Ta -","- C44 H31 Co N6 O14 Ta -","- C88 H62 Co2 N12 O28 Ta2 -","2","1","","Androš, Lidija; Juric, Marijana; Popović, Jasminka; Planinic, Pavica","New Fe-Ta and Co-Ta oxalate complexes: structural characterization and thermal behaviour ‒ formation of mixed-metal oxides","RSC Advances","2014","","","","","10.1039/C4RA05855K","","","1.54179","CuKα","","0.0391","0.035","","","0.0927","0.0947","","","","","","1.046","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217312","11.424","0.005","12.763","0.005","15.546","0.005","108.799","0.005","92.492","0.005","108.397","0.005","2009.3","1.3","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C44 H31 Fe N6 O14 Ta -","- C44 H31 Fe N6 O14 Ta -","- C88 H62 Fe2 N12 O28 Ta2 -","2","1","","Androš, Lidija; Juric, Marijana; Popović, Jasminka; Planinic, Pavica","New Fe-Ta and Co-Ta oxalate complexes: structural characterization and thermal behaviour ‒ formation of mixed-metal oxides","RSC Advances","2014","","","","","10.1039/C4RA05855K","","x-ray","1.54179","CuKα","","0.0387","0.037","","","0.0981","0.0994","","","","","","1.044","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217313","13.263","0.005","19.962","0.008","21.953","0.009","86.49","0.05","88.31","0.05","89.3","0.05","5798","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57.875 H55.75 Mn3 O14 S4 -","- C57.875 H55.5 Mn3 O14 S4 -","- C231.5 H222 Mn12 O56 S16 -","4","2","","Bikas, Rahman; Hosseini-Monfared, Hassan; Sanchiz, Joaquin; Siczek, Milosz; Lis, Tadeusz","Synthesis, crystal structure and magnetic properties of a trinuclear phenolate bridged manganese complex containing Mn(II)-Mn(III) ions","RSC Advances","2014","","","","","10.1039/C4RA05964F","","","0.71073","MoKα","","0.2269","0.0932","","","0.1742","0.2006","","","","","","1.002","","","","has coordinates,has disorder","180504","2020-10-21","18:00:00",""
"7217314","12.1361","0.0008","8.5565","0.0006","23.324","0.0015","90","","90","","90","","2422","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 F N O7 U -","- C9 H13 F N O7 U -","- C72 H104 F8 N8 O56 U8 -","8","1","","Hou, Xiaomin; Tang, Sifu","Two New Two-dimensional Layered Uranyl-bearing Polycarboxylates from Semi-rigid Tetracarboxylic Acids","RSC Advances","2014","","","","","10.1039/C4RA04684F","","","0.71073","MoKα","","0.0485","0.0362","","","0.0746","0.0796","","","","","","1.095","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217315","23.664","0.003","14.0766","0.0017","14.3858","0.0017","90","","106.281","0.005","90","","4599.9","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H25 N2 O10.5 U -","- C19 H25 N2 O10.5 U -","- C152 H200 N16 O84 U8 -","8","1","","Hou, Xiaomin; Tang, Sifu","Two New Two-dimensional Layered Uranyl-bearing Polycarboxylates from Semi-rigid Tetracarboxylic Acids","RSC Advances","2014","","","","","10.1039/C4RA04684F","","","0.71073","MoKα","","0.0218","0.019","","","0.0501","0.0512","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217316","15.3627","0.0013","9.0461","0.0008","15.4985","0.0013","90","","107.385","0.001","90","","2055.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","","Tan, Ya-Jun; Zhang, Ze; Wang, Fang-Jian; Wu, Hao-Hao; Li, Qing-Hai","Mechanochemical milling promoted solvent-free imino Diels‒Alder reaction catalyzed by FeCl3: diastereoselective synthesis of cis-2, 4-diphenyl-1,2,3,4-tetrahydroquinolines","RSC Advances","2014","","","","","10.1039/C4RA05252H","","","0.71073","MoKα","","0.0624","0.0494","","","0.1573","0.1686","","","","","","0.989","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217317","9.226","0.005","9.609","0.005","12.006","0.007","84.063","0.013","72.757","0.012","69.008","0.012","949.1","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C44 H40 N4 O6 -","2","1","","Tan, Ya-Jun; Zhang, Ze; Wang, Fang-Jian; Wu, Hao-Hao; Li, Qing-Hai","Mechanochemical milling promoted solvent-free imino Diels‒Alder reaction catalyzed by FeCl3: diastereoselective synthesis of cis-2, 4-diphenyl-1,2,3,4-tetrahydroquinolines","RSC Advances","2014","","","","","10.1039/C4RA05252H","","","0.71073","MoKα","","0.0752","0.057","","","0.1817","0.2167","","","","","","1.041","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217318","9.7889","0.0017","6.4372","0.0011","29.94","0.006","90","","96.75","0.013","90","","1873.5","0.6","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","Sasaki, Shunsuke; Niko, Yosuke; Igawa, Kazunobu; Konishi, Gen-ichi","Aggregation-induced emission active D-π-A binaphthyl luminophore with dual-mode fluorescence","RSC Advances","2014","4","63","33474","","10.1039/C4RA05871B","","","1.54187","CuKα","","","0.0361","","","","0.0659","","","","","","1.001","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217319","9.3756","0.0004","9.5789","0.0005","11.1998","0.0005","87.464","0.002","80.669","0.002","86.225","0.002","989.79","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H46 Cu F2 N6 O17 -","- C34 H46 Cu F2 N6 O17 -","- C34 H46 Cu F2 N6 O17 -","1","0.5","","Farrokhpour, Hossein; Hadadzadeh, Hassan; Darabi, Farivash; Abyar, Fatemeh; Amiri Rudbari, Hadi; Ahmadi-Bagheri, Tahareh","A rare dihydroxo copper(II) complex with ciprofloxacin; a combined experimental and ONIOM computational study of the interaction of the complex with DNA and BSA","RSC Advances","2014","","","","","10.1039/C4RA04634J","","","0.71073","MoKα","","0.0387","0.0373","","","0.1089","0.1109","","","","","","1.01","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217320","14.8105","0.0006","10.1034","0.0006","6.8817","0.0003","90","","90","","90","","1029.75","0.09","293","","293","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C6 H8 Cu2 I2 N2 -","- C6 H8 Cu2 I2 N2 -","- C24 H32 Cu8 I8 N8 -","4","0.5","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.0307","","","","0.0549","","","","","","1.052","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217321","4.2971","0.0012","8.22","0.003","8.247","0.003","110.85","0.03","102.04","0.03","94.82","0.03","262.22","0.17","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Cu2 I2 N2 -","- C6 H8 Cu2 I2 N2 -","- C6 H8 Cu2 I2 N2 -","1","0.5","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.059","","","","0.0786","","","","","","1.034","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217322","4.1718","0.0002","27.4616","0.0014","7.6232","0.0006","90","","97.299","0.003","90","","866.27","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cu I N2 -","- C6 H8 Cu I N2 -","- C24 H32 Cu4 I4 N8 -","4","1","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.0683","","","","0.1122","","","","","","1.473","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217323","14.102","0.005","15.392","0.006","8.233","0.003","90","","97.833","0.018","90","","1770.4","1.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 Cu I N -","- C7 H9 Cu I N -","- C56 H72 Cu8 I8 N8 -","8","1","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.0352","","","","0.0607","","","","","","1.034","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217324","7.54","0.0015","26.67","0.005","8.2","0.002","90","","97.002","0.018","90","","1636.7","0.6","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cl4 Hg N6 -","- C10 H10 Cl4 Hg N6 -","- C40 H40 Cl16 Hg4 N24 -","4","1","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.1012","0.0588","","","0.1529","0.1692","","","","","","1.018","","","","has coordinates,has disorder","180504","2020-10-21","18:00:00",""
"7217325","7.303","0.0018","8.599","0.002","21.577","0.009","90","","94.32","0.03","90","","1351.2","0.7","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cl2 N6 O -","- C10 H12 Cl2 N6 O -","- C40 H48 Cl8 N24 O4 -","4","1","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.1098","0.0476","","","0.1032","0.1225","","","","","","1.02","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217326","7.478","0.002","26.697","0.005","8.27","0.003","90","","96.55","0.02","90","","1640.2","0.8","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cd Cl4 N6 -","- C10 H10 Cd Cl4 N6 -","- C40 H40 Cd4 Cl16 N24 -","4","1","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.0771","0.0418","","","0.0949","0.1071","","","","","","1.071","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217327","9.5097","0.0019","11.521","0.003","14.622","0.003","90","","92.794","0.017","90","","1600.1","0.6","294","2","294","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N9 O9 -","- C10 H11 N9 O9 -","- C40 H44 N36 O36 -","4","1","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.1031","0.0534","","","0.1291","0.1459","","","","","","1.034","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217328","11.395","0.004","14.021","0.006","10.265","0.004","90","","90","","90","","1640","1.1","294","2","294","2","","","","","","","synthesis as described","5","C c m 21","C 2c -2c","36","","","","- C10 H10 Cl4 N6 Zn -","- C10 H10 Cl4 N6 Zn -","- C40 H40 Cl16 N24 Zn4 -","4","0.5","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.0582","0.042","","","0.087","0.0923","","","","","","0.996","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217376","17.145","0.003","14.709","0.0018","7.0193","0.0011","90","","93.319","0.015","90","","1767.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 N4 O2 P S2 -","- C12 H21 N4 O2 P S2 -","- C48 H84 N16 O8 P4 S8 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.1369","0.1307","","","0.3356","0.3384","","","","","","1.179","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217380","9.0052","0.0008","11.7572","0.001","12.3225","0.0011","98.558","0.007","106.445","0.007","97.06","0.007","1218.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H23 Cl2 N4 O3 P S2 -","- C19 H23 Cl2 N4 O3 P S2 -","- C38 H46 Cl4 N8 O6 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0598","0.0468","","","0.1065","0.1118","","","","","","1.078","","","","has coordinates,has disorder","180504","2020-10-21","18:00:00",""
"7217396","17.435","0.0004","13.8312","0.0003","9.7128","0.0002","90","","96.559","0.001","90","","2326.88","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N3 O6 -","- C21 H33 N3 O6 -","- C84 H132 N12 O24 -","4","1","","Wang, Zijun; Lee, Joseph; Oian, Casey; Hou, Xiaodong; Wang, Zhihan; Ugrinov, Angel; Singh, Rajiv K.; Wysocki, Erin; Chu, Qianli R.","An unsaturated hydrogen bonded network generated from three-fold symmetric carbamates","CrystEngComm","2014","16","31","7176","","10.1039/C4CE00363B","","","1.54178","CuKα","","0.0338","0.0298","","","0.0768","0.0799","","","","","","1.059","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217397","21.294","0.0014","13.8436","0.001","9.823","0.0007","90","","91.467","0.004","90","","2894.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H45 N3 O6 -","- C27 H45 N3 O6 -","- C108 H180 N12 O24 -","4","1","","Wang, Zijun; Lee, Joseph; Oian, Casey; Hou, Xiaodong; Wang, Zhihan; Ugrinov, Angel; Singh, Rajiv K.; Wysocki, Erin; Chu, Qianli R.","An unsaturated hydrogen bonded network generated from three-fold symmetric carbamates","CrystEngComm","2014","16","31","7176","","10.1039/C4CE00363B","","","1.54178","CuKα","","0.0579","0.0487","","","0.1285","0.1336","","","","","","1.121","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217416","9.9574","0.0004","6.9766","0.0003","14.392","0.0006","90","","105.769","0.001","90","","962.17","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl2 K4 O16 U5 -","- Cl2 K4 O16 U5 -","- Cl4 K8 O32 U10 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0383","0.0292","","","0.0586","0.0613","","","","","","1.06","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217417","10.2164","0.0004","7.016","0.0003","14.493","0.0005","90","","103.829","0.001","90","","1008.72","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl2 O16 Rb4 U5 -","- Cl2 O16 Rb4 U5 -","- Cl4 O32 Rb8 U10 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0492","0.0348","","","0.0667","0.0709","","","","","","1.048","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217418","10.6214","0.0005","18.1071","0.0008","16.0857","0.0007","90","","102.985","0.001","90","","3014.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl3 Cs5 O22 U7 -","- Cl3 Cs5 O22 U7 -","- Cl12 Cs20 O88 U28 -","4","1","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0628","0.0409","","","0.0734","0.0808","","","","","","1.032","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217419","7.3602","0.0006","4.1127","0.0003","8.5556","0.0007","90","","104.602","0.002","90","","250.62","0.03","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl O3 Rb U -","- Cl O3 Rb U -","- Cl2 O6 Rb2 U2 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0357","0.0316","","","0.0685","0.0699","","","","","","1.181","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217420","7.7768","0.0004","4.1245","0.0002","8.7701","0.0005","90","","105.468","0.001","90","","271.12","0.02","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl Cs O3 U -","- Cl Cs O3 U -","- Cl2 Cs2 O6 U2 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0289","0.0256","","","0.0563","0.0575","","","","","","1.079","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217443","7.3579","0.0015","13.615","0.003","17.984","0.004","90","","101.78","0.03","90","","1763.7","0.7","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","2","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.065","0.0432","","","0.079","0.0865","","","","","","1.061","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217444","15.057","0.003","7.2462","0.0014","15.986","0.003","90","","91.32","0.03","90","","1743.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","4","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.0874","0.0556","","","0.1157","0.131","","","","","","1.115","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217445","7.3271","0.0002","10.3563","0.0003","24.6666","0.0007","88.096","0.002","81.458","0.002","77.009","0.001","1803.6","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","4","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.071","0.0491","","","0.1003","0.1119","","","","","","1.05","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217446","7.2196","0.0004","11.8203","0.0006","20.893","0.001","90","","97.366","0.002","90","","1768.25","0.16","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","2","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.0624","0.0476","","","0.121","0.1289","","","","","","1.057","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217447","7.2604","0.0015","20.872","0.004","36.565","0.007","98.49","0.03","95.63","0.03","95.1","0.03","5424","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C168 H72 Cl48 N48 S48 -","24","12","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.1763","0.1437","","","0.2447","0.2565","","","","","","1.324","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217450","24.1816","0.0006","10.4269","0.0003","11.7456","0.0003","90","","90","","90","","2961.53","0.14","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H36 Cl2 N4 O -","- C35 H36 Cl2 N4 O -","- C140 H144 Cl8 N16 O4 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0553","0.0399","","","0.0911","0.0999","","","","","","0.94","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217451","6.3103","0.0002","10.254","0.0003","10.7089","0.0003","83.053","0.001","77.266","0.002","80.846","0.001","664.62","0.03","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H24 Br2 Cl2 N4 -","- C30 H24 Br2 Cl2 N4 -","- C30 H24 Br2 Cl2 N4 -","1","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0319","0.0316","","","0.093","0.0934","","","","","","1.11","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7217452","6.0409","0.0002","8.0224","0.0003","27.0534","0.001","90","","90","","90","","1311.08","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16.36 H16.07 Cl0.64 N2 -","- C16.356 H16.068 Cl0.644 N2 -","- C65.424 H64.272 Cl2.576 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0418","0.0376","","","0.0898","0.0914","","","","","","1.191","","","","has coordinates,has disorder","180505","2020-10-21","18:00:00",""
"7217453","6.3568","0.0004","10.4138","0.0007","10.7105","0.0007","82.302","0.004","75.969","0.003","82.058","0.003","677.53","0.08","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C31.23 H27.68 Br2.74 N4 -","- C31.226 H27.678 Br2.736 N4 -","- C31.226 H27.678 Br2.736 N4 -","1","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","0.71073","MoKα","","0.0434","0.0376","","","0.0934","0.096","","","","","","1.027","","","","has coordinates,has disorder","180505","2020-10-21","18:00:00",""
"7217454","7.8192","0.0002","9.8988","0.0003","18.2061","0.0005","78.154","0.002","79.977","0.002","72.633","0.001","1306.65","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl2 N2 -","- C15 H12 Cl2 N2 -","- C60 H48 Cl8 N8 -","4","2","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","0.71073","MoKα","","0.0296","0.0243","","","0.0591","0.0623","","","","","","1.046","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217455","6.0853","0.0005","13.6203","0.0014","16.017","0.002","90","","92.009","0.009","90","","1326.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Cl2 N2 -","- C15 H12 Cl2 N2 -","- C60 H48 Cl8 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","0.71073","MoKα","","0.0641","0.0406","","","0.0918","0.1026","","","","","","1.051","","","","has coordinates,has disorder","180505","2020-10-21","18:00:00",""
"7217456","8.4113","0.0001","9.0495","0.0001","25.1456","0.0003","90","","90","","90","","1914.03","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Br2 Cl4 N2 -","- C16 H14 Br2 Cl4 N2 -","- C64 H56 Br8 Cl16 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.028","0.0278","","","0.094","0.094","","","","","","1.222","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217457","5.7702","0.0001","15.3388","0.0002","13.9156","0.0002","90","","94.316","0.001","90","","1228.15","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N2 -","- C14 H10 Cl2 N2 -","- C56 H40 Cl8 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0518","0.0382","","","0.0958","0.1035","","","","","","1.052","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217600","11.7903","0.0015","9.314","0.0013","14.652","0.002","90","","94.385","0.002","90","","1604.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16.6 Co N2 O7.3 P2 -","- C12 H16 Co N2 O7.3 P2 -","- C48 H64 Co4 N8 O29.2 P8 -","4","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0508","0.039","","","0.0941","0.1018","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217601","17.119","0.002","8.9053","0.0012","12.389","0.0017","90","","124.674","0.002","90","","1553.3","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N2 Ni O8 P2 -","- C12 H18 N2 Ni O8 P2 -","- C48 H72 N8 Ni4 O32 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0353","0.0319","","","0.0831","0.0851","","","","","","1.064","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217602","23.7747","0.0014","23.7747","0.0014","28.216","0.004","90","","90","","120","","13812","2","296","2","296","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C28 H30 N4 Ni O8 P2 -","- C28 H30 N4 Ni O8 P2 -","- C504 H540 N72 Ni18 O144 P36 -","18","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.1272","0.0666","","","0.1512","0.1891","","","","","","1.013","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217603","10.3111","0.0016","10.7447","0.0017","11.805","0.002","71.192","0.004","65.659","0.004","83.226","0.004","1127.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N2 Ni O9 P2 -","- C18 H24 N2 Ni O9 P2 -","- C36 H48 N4 Ni2 O18 P4 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.1078","0.0586","","","0.115","0.1341","","","","","","0.973","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217604","10.3161","0.0014","11.508","0.003","12.0717","0.0016","105.48","0.003","109.935","0.002","101.391","0.004","1230.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 N2 Ni O10 P2 -","- C20 H28 N2 Ni O10 P2 -","- C40 H56 N4 Ni2 O20 P4 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0879","0.0492","","","0.1002","0.1115","","","","","","0.979","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217605","16.906","0.011","8.996","0.006","12.435","0.008","90","","125.406","0.012","90","","1541.5","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cu N2 O8 P2 -","- C12 H18 Cu N2 O8 P2 -","- C48 H72 Cu4 N8 O32 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0628","0.0442","","","0.1019","0.1104","","","","","","1.056","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217606","7.309","0.003","8.365","0.004","9.315","0.004","97.459","0.006","112.125","0.006","90.768","0.007","521.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cu N2 O8 P2 -","- C18 H22 Cu N2 O8 P2 -","- C18 H22 Cu N2 O8 P2 -","1","0.5","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0745","0.0519","","","0.1276","0.1352","","","","","","1.064","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217607","9.1979","0.0007","10.0023","0.0009","12.2994","0.0009","85.738","0.003","77.906","0.002","65.089","0.003","1003.37","0.14","275","2","275","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 N2 O6 P2 Zn -","- C18 H18 N2 O6 P2 Zn -","- C36 H36 N4 O12 P4 Zn2 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0752","0.0416","","","0.0817","0.0891","","","","","","1.02","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217608","17.447","0.002","8.7795","0.0011","12.845","0.003","90","","123.703","0.001","90","","1636.8","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cd N2 O8 P2 -","- C12 H18 Cd N2 O8 P2 -","- C48 H72 Cd4 N8 O32 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0368","0.0296","","","0.0724","0.0761","","","","","","1.039","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217612","12.6769","0.0012","17.846","0.0016","18.8833","0.0016","90","","98.382","0.005","90","","4226.4","0.7","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cu F6 Fe N4 P -","- C48 H44 Cu F6 Fe N4 P -","- C192 H176 Cu4 F24 Fe4 N16 P4 -","4","1","","Crowley, James D.; Scottwell, Synove O.; McAdam, C. John; Shaffer, Karl J.","5-Ferrocenyl-2,2 -bipyridine Ligands: synthesis, palladium(II) and copper(I) complexes, optical and electrochemical properties.","RSC Advances","2014","","","","","10.1039/C4RA05333H","","","0.71073","MoKα","","0.0577","0.0471","","","0.1078","0.1142","","","","","","1.071","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217613","39.118","0.003","39.118","0.003","12.8349","0.0011","90","","90","","90","","19640","3","296","2","296","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C49 H46 Cu F6 Fe N4 P -","- C49 H46 Cu F6 Fe N4 P -","- C784 H736 Cu16 F96 Fe16 N64 P16 -","16","1","","Crowley, James D.; Scottwell, Synove O.; McAdam, C. John; Shaffer, Karl J.","5-Ferrocenyl-2,2 -bipyridine Ligands: synthesis, palladium(II) and copper(I) complexes, optical and electrochemical properties.","RSC Advances","2014","","","","","10.1039/C4RA05333H","","","0.71073","MoKα","","0.0712","0.0552","","","0.1278","0.1331","","","","","","1.141","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217614","10.186","0.002","12.531","0.003","11.828","0.002","90","","92.469","0.007","90","","1508.3","0.5","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Fe N2 -","- C20 H16 Fe N2 -","- C80 H64 Fe4 N8 -","4","1","","Crowley, James D.; Scottwell, Synove O.; McAdam, C. John; Shaffer, Karl J.","5-Ferrocenyl-2,2 -bipyridine Ligands: synthesis, palladium(II) and copper(I) complexes, optical and electrochemical properties.","RSC Advances","2014","","","","","10.1039/C4RA05333H","","","0.71073","MoKα","","0.066","0.0577","","","0.1847","0.1929","","","","","","1.124","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217615","13.0963","0.0023","20.1531","0.0035","11.7129","0.0024","90","","90","","90","","3091.4","1","90","2","90","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H16 Fe N2 -","- C20 H16 Fe N2 -","- C160 H128 Fe8 N16 -","8","1","","Crowley, James D.; Scottwell, Synove O.; McAdam, C. John; Shaffer, Karl J.","5-Ferrocenyl-2,2 -bipyridine Ligands: synthesis, palladium(II) and copper(I) complexes, optical and electrochemical properties.","RSC Advances","2014","","","","","10.1039/C4RA05333H","","","0.71073","MOKα","","0.0369","0.032","","","0.084","0.0885","","","","","","1.087","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217616","11.635","0.002","13.391","0.002","15.929","0.002","67.083","0.007","84.398","0.007","82.022","0.007","2261.2","0.6","89","2","89","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H42 F12 Fe N8 Pd Sb2 -","- C38 H42 F12 Fe N8 Pd Sb2 -","- C76 H84 F24 Fe2 N16 Pd2 Sb4 -","2","1","","Crowley, James D.; Scottwell, Synove O.; McAdam, C. John; Shaffer, Karl J.","5-Ferrocenyl-2,2 -bipyridine Ligands: synthesis, palladium(II) and copper(I) complexes, optical and electrochemical properties.","RSC Advances","2014","","","","","10.1039/C4RA05333H","","","0.71069","MoKα","","0.0287","0.0246","","","0.056","0.0589","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217617","31.201","0.004","11.3669","0.0011","19.088","0.002","90","","95.873","0.004","90","","6734.2","1.3","89","2","89","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 F12 Fe N4 Pd Sb2 -","- C30 H26 F12 Fe N4 Pd Sb2 -","- C240 H208 F96 Fe8 N32 Pd8 Sb16 -","8","1","","Crowley, James D.; Scottwell, Synove O.; McAdam, C. John; Shaffer, Karl J.","5-Ferrocenyl-2,2 -bipyridine Ligands: synthesis, palladium(II) and copper(I) complexes, optical and electrochemical properties.","RSC Advances","2014","","","","","10.1039/C4RA05333H","","","0.71073","MoKα","","0.0866","0.0603","","","0.1565","0.1693","","","","","","1.011","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217618","10.353","0.007","14.768","0.009","15.121","0.01","73.09","0.03","73.84","0.03","74.59","0.03","2081","2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H41 F12 Fe N7 Pd Sb2 -","- C37 H41 F12 Fe N7 Pd Sb2 -","- C74 H82 F24 Fe2 N14 Pd2 Sb4 -","2","1","","Crowley, James D.; Scottwell, Synove O.; McAdam, C. John; Shaffer, Karl J.","5-Ferrocenyl-2,2 -bipyridine Ligands: synthesis, palladium(II) and copper(I) complexes, optical and electrochemical properties.","RSC Advances","2014","","","","","10.1039/C4RA05333H","","","0.71073","MoKα","","0.0687","0.0471","","","0.1182","0.1282","","","","","","1.071","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217619","16.5082","0.0005","7.4003","0.0002","16.766","0.0005","90","","113.598","0.001","90","","1876.95","0.1","89","2","89","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl2 Fe N2 Pd -","- C21 H18 Cl2 Fe N2 Pd -","- C84 H72 Cl8 Fe4 N8 Pd4 -","4","1","","Crowley, James D.; Scottwell, Synove O.; McAdam, C. John; Shaffer, Karl J.","5-Ferrocenyl-2,2 -bipyridine Ligands: synthesis, palladium(II) and copper(I) complexes, optical and electrochemical properties.","RSC Advances","2014","","","","","10.1039/C4RA05333H","","","0.71073","MoKα","","0.0337","0.0271","","","0.0752","0.0922","","","","","","1.218","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217620","8.745","0.005","19.021","0.005","10.628","0.005","90","","98.519","0.005","90","","1748.3","1.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 F12 N4 O2 Pd Sb2 -","- C26 H32 F12 N4 O2 Pd Sb2 -","- C52 H64 F24 N8 O4 Pd2 Sb4 -","2","0.5","","Crowley, James D.; Scottwell, Synove O.; McAdam, C. John; Shaffer, Karl J.","5-Ferrocenyl-2,2 -bipyridine Ligands: synthesis, palladium(II) and copper(I) complexes, optical and electrochemical properties.","RSC Advances","2014","","","","","10.1039/C4RA05333H","","","0.71069","MoKα","","0.0406","0.0375","","","0.0995","0.1013","","","","","","1.182","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217621","19.7591","0.0003","34.5783","0.0004","9.5257","0.0002","90","","90","","90","","6508.3","0.18","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C40 H34 S4 -","- C40 H34 S4 -","- C320 H272 S32 -","8","2","","Singh Virk, Tarunpreet; Singh, Kamaljit; Qin, Yunke; Xu, Wei; Zhu, Daoben","Sulphur bridged [22]annulene[2.1.2.1]s based organic field-effect transistors: Interplay of the steric bulk and charge transport","RSC Advances","2014","","","","","10.1039/C4RA07221A","","","1.5418","CuKα","","0.0407","0.0387","","","0.1022","0.1048","","","","","","1.014","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7217622","8.3972","0.0002","15.4871","0.0004","11.846","0.0005","90","","92.993","0.003","90","","1538.45","0.08","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 S4 -","- C38 H30 S4 -","- C76 H60 S8 -","2","0.5","","Singh Virk, Tarunpreet; Singh, Kamaljit; Qin, Yunke; Xu, Wei; Zhu, Daoben","Sulphur bridged [22]annulene[2.1.2.1]s based organic field-effect transistors: Interplay of the steric bulk and charge transport","RSC Advances","2014","","","","","10.1039/C4RA07221A","","","0.71073","MoKα","","0.0525","0.0381","","","0.0957","0.1089","","","","","","1.049","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217623","12.7806","0.0006","14.6895","0.0006","20.5104","0.001","110.228","0.004","102.002","0.004","97.058","0.004","3453.7","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H80 F12 N4 O10 P2 -","- C63 H80 F12 N4 O10 P2 -","- C126 H160 F24 N8 O20 P4 -","2","1","","Gao, Lingyan; Yao, Yong; Dong, Shengyi; Yuan, Jiayin","Host‒guest complexation between 1,4-dipropoxypillar[5]arene and imidazolium-based ionic liquids","RSC Advances","2014","","","","","10.1039/C4RA06784C","","","1.54184","CuKα","","0.1166","0.0938","","","0.2742","0.3021","","","","","","1.13","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217624","9.5268","0.0004","11.1801","0.0006","11.2526","0.0005","61.212","0.002","66.057","0.002","71.403","0.003","948.53","0.08","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 Cl2 O3 -","- C19 H24 Cl2 O3 -","- C38 H48 Cl4 O6 -","2","1","","Reddy, Chennakesava; Srinivasarao, Arulananda Babu; Aslam, Nayyar Ahmad","Indium-assisted aluminium-based stereoselective allylation of prostereogenic α, α-disubstituted cycloalkanones and imines","RSC Advances","2014","","","","","10.1039/C4RA04293J","","","0.71073","MOKα","","0.0697","0.0439","","","0.1022","0.1171","","","","","","1.047","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217625","7.03","0.0014","14.16","0.003","17.88","0.004","90","","90","0.03","90","","1779.9","0.7","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O3 S -","- C16 H25 N O3 S -","- C64 H100 N4 O12 S4 -","4","1","","Reddy, Chennakesava; Srinivasarao, Arulananda Babu; Aslam, Nayyar Ahmad","Indium-assisted aluminium-based stereoselective allylation of prostereogenic α, α-disubstituted cycloalkanones and imines","RSC Advances","2014","","","","","10.1039/C4RA04293J","","","0.71073","MoKα","","0.0623","0.0475","","","0.1023","0.1109","","","","","","1.0305","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217627","29.627","0.003","29.627","0.003","29.627","","90","","90","","90","","26005","4","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C75 H38 Cu6 N6 O36 -","- C75 H39 Cu6 N6 O36 -","- C600 H312 Cu48 N48 O288 -","8","0.25","","Zheng, Baishu; Lin, Xiu; Wang, Zhaoxu; Yun, Ruirui; Fan, Yanpeng; Ding, Mingsheng; Hu, Xiaolian; Yi, Pinggui","Enhanced water stability of a microporous acylamide-functionalized metal‒organic framework via interpenetration and methyl decoration","CrystEngComm","2014","16","41","9586","","10.1039/C4CE01165A","","","0.71073","MoKα","","0.1257","0.0958","","","0.3059","0.3233","","","","","","1.199","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217628","10.4839","0.0018","11.84","0.003","14.034","0.002","105.645","0.011","101.222","0.009","112.358","0.005","1462.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Fe2 N5 O9 -","- C26 H19 Fe2 N5 O9 -","- C52 H38 Fe4 N10 O18 -","2","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.043","0.0352","","","0.1121","0.1268","","","","","","1.043","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217629","10.996","0.004","10.359","0.004","7.723","0.003","90","","102.018","0.006","90","","860.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Fe N O6 -","- C7 H7 Fe N O6 -","- C28 H28 Fe4 N4 O24 -","4","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0459","0.0381","","","0.0949","0.0975","","","","","","1.138","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217630","7.137","0.003","7.968","0.003","9.108","0.004","75.892","0.017","68.644","0.015","76.345","0.016","461.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Fe N O7 -","- C7 H7 Fe N O7 -","- C14 H14 Fe2 N2 O14 -","2","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0323","0.03","","","0.1144","0.1191","","","","","","1.065","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217631","10.1761","0.0009","5.9639","0.0005","13.3111","0.0014","90","","96.591","0.006","90","","802.5","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H4 Fe N2 O4 -","- C9 H4 Fe N2 O4 -","- C36 H16 Fe4 N8 O16 -","4","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0442","0.0364","","","0.1064","0.1207","","","","","","0.963","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217632","9.345","0.009","6.916","0.004","14.615","0.009","90","","104.44","0.05","90","","914.7","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Fe N2 O5 -","- C9 H6 Fe N2 O5 -","- C36 H24 Fe4 N8 O20 -","4","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0387","0.0331","","","0.1135","0.1237","","","","","","1.05","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217633","7.292","0.003","10.07","0.004","10.272","0.004","113.983","0.003","99.683","0.001","103.652","0.005","639.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Fe N O6 -","- C13 H11 Fe N O6 -","- C26 H22 Fe2 N2 O12 -","2","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0407","0.0365","","","0.1217","0.1276","","","","","","1.04","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217634","11.3001","0.0008","3.931","0.0002","20.1304","0.0016","90","","95.043","0.008","90","","890.74","0.11","291","2","291.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 N2 O S -","- C10 H6 N2 O S -","- C40 H24 N8 O4 S4 -","4","1","","Li, Yabo; Wang, Jingran; Wang, Zhiwei; Huang, Mengmeng; Yan, Beiqi; Cui, Xiuling; Wu, Yusheng; Wu, Yangjie","Palladacycle-catalyzed Suzuki-Miyaura reaction of aryl/heteroaryl halides with MIDA boronates in EtOH/H2O or H2O","RSC Advances","2014","","","","","10.1039/C4RA07486F","","","1.5418","CuKα","","0.078","0.0658","","","0.1831","0.1945","","","","","","1.014","","","","has coordinates,has disorder","180507","2020-10-21","18:00:00",""
"7217635","8.619","0.0003","27.0157","0.001","7.3823","0.0003","90","","94.789","0.002","90","","1712.96","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O8 -","- C17 H17 N O8 -","- C68 H68 N4 O32 -","4","1","","Sun, Jin Wei; Hu, Hua You; Wang, Fu Yao; Wu, Hui; Liu, Yun","Copper(II)-Catalyzed Cleavage of Carbon-Carbon Triple Bond to Synthesize 1,2,3-Triesterindolizines","RSC Advances","2014","","","","","10.1039/C4RA06048B","","","0.71073","MoKα","","0.0494","0.039","","","0.1309","0.1418","","","","","","1.094","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217636","9.415","0.0016","5.6395","0.0009","12.3566","0.0018","90","","110.273","0.018","90","","615.44","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(4-methoxybenzyl)-2H-indazole","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C30 H28 N4 O2 -","2","1","","Vidyacharan, Shinde; Sagar, A.; Chaitra, N. C.; Sharada, Duddu S.","A facile synthesis of 2H-indazoles under neat conditions and further transformation into aza-γ-carboline alkaloid analogues in a tandem one-pot fashion","RSC Advances","2014","4","65","34232","","10.1039/C4RA06838F","","","1.54184","CuKα","","0.0463","0.0386","","","0.0975","0.1079","","","","","","1.091","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217637","26.916","0.003","8.0515","0.0009","17.954","0.002","90","","123.571","0.002","90","","3241.9","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 B F2 N O3 -","- C18 H16 B F2 N O3 -","- C144 H128 B8 F16 N8 O24 -","8","1","","Liu, Xu; Zhang, Qian; Xin, Xiaoqing; Zhang, Rui; Zhang, Ning; Liang, Yongjiu; Dong, Dewen","BF3•Et2O-Mediated Intramolecular Cyclization of Unsaturated Amides: Convenient Synthesis of Dihydroquinolin-2-one-BF2 Complexes","RSC Advances","2014","4","68","36234","36240","10.1039/C4RA06151A","","","0.71073","MoKα","","0.1149","0.0633","","","0.1249","0.145","","","","","","1.027","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217638","7.643","0.005","12.269","0.005","12.84","0.005","101.954","0.005","104.028","0.005","98.284","0.005","1118.6","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","8-(2-Chlorophenyl)-2,2-difluoro-7-(4-methoxyphenyl)-4-methyl-7,8-dihydro-2H-[1,3,2]dioxaborinino[4,5-b]pyridin-1-ium-2-uide","","","- C45 H38 B2 Cl2 F4 N2 O6 -","- C45 H32 B2 Cl2 F4 N2 O6 -","- C45 H32 B2 Cl2 F4 N2 O6 -","1","0.5","","Liu, Xu; Zhang, Qian; Xin, Xiaoqing; Zhang, Rui; Zhang, Ning; Liang, Yongjiu; Dong, Dewen","BF3•Et2O-Mediated Intramolecular Cyclization of Unsaturated Amides: Convenient Synthesis of Dihydroquinolin-2-one-BF2 Complexes","RSC Advances","2014","4","68","36234","36240","10.1039/C4RA06151A","","","0.71073","MoKα","","0.1055","0.0884","","","0.2757","0.2992","","","","","","1.05","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217639","8.08","0.0004","11.385","0.0006","12.282","0.0006","97.402","0.004","106.53","0.004","110.445","0.005","981.61","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 K2 O26 S4 Zn -","- C28 H32 K2 O26 S4 Zn -","- C28 H32 K2 O26 S4 Zn -","1","0.5","","Franco, Chris Hebert J.; Aglio, Renata C.; Corrêa, Charlane Cimini; Diniz, Renata","Preparation and topological properties of two structures with p-sulfobenzoic ligand and Zn2+ and Mn2+ ions.","RSC Advances","2014","","","","","10.1039/C4RA07629J","","","0.71073","MoKα","","0.0712","0.0419","","","0.0903","0.121","","","","","","1.136","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217640","8.055","0.0005","10.152","0.0007","12.541","0.0008","99.084","0.006","95.358","0.005","106.09","0.006","962.78","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 K2 Mn O26 S4 -","- C28 H32 K2 Mn O26 S4 -","- C28 H32 K2 Mn O26 S4 -","1","0.5","","Franco, Chris Hebert J.; Aglio, Renata C.; Corrêa, Charlane Cimini; Diniz, Renata","Preparation and topological properties of two structures with p-sulfobenzoic ligand and Zn2+ and Mn2+ ions.","RSC Advances","2014","","","","","10.1039/C4RA07629J","","","0.71073","MoKα","","0.0904","0.0484","","","0.0862","0.1117","","","","","","1.079","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217641","12.8021","0.0002","13.45","0.0003","14.9393","0.0003","85.254","0.0015","67.0451","0.0017","66.3028","0.0018","2160.58","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H40 N3 O7 Sc -","- C55 H40 N3 O7 Sc -","- C110 H80 N6 O14 Sc2 -","2","1","","Balashova, Tatyana V.; Belova, Nadezhda A.; Burin, Mikhail E.; Kuzyaev, Dmitry M.; Rumyantzev, Roman V.; Fukin, Georgii K.; Pushkarev, Anatoly P.; Ilichev, Vasily A.; Grishin, Ivan D.; Shestakov, Alexander F.; Bochkarev, Mikhail N.","Substituted naphtholates of rare earth metals as emissive materials","RSC Advances","2014","","","","","10.1039/C4RA03915G","","","0.71073","MoKα","","0.0781","0.047","","","0.0994","0.1082","","","","","","0.976","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217642","13.4946","0.0018","13.5034","0.0018","15.212","0.002","114.329","0.003","98.345","0.003","95.822","0.003","2458.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 N3 O7.5 Sc -","- C58 H46 N3 O7.5 Sc -","- C116 H92 N6 O15 Sc2 -","2","1","","Balashova, Tatyana V.; Belova, Nadezhda A.; Burin, Mikhail E.; Kuzyaev, Dmitry M.; Rumyantzev, Roman V.; Fukin, Georgii K.; Pushkarev, Anatoly P.; Ilichev, Vasily A.; Grishin, Ivan D.; Shestakov, Alexander F.; Bochkarev, Mikhail N.","Substituted naphtholates of rare earth metals as emissive materials","RSC Advances","2014","","","","","10.1039/C4RA03915G","","","0.71073","MoKα","","0.1158","0.0752","","","0.1925","0.2093","","","","","","1.056","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217643","11.428","0.0006","14.9217","0.0008","15.1759","0.0008","110.823","0.001","95.98","0.001","98.048","0.001","2361.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 N3 O8 Sc -","- C58 H46 N3 O8 Sc -","- C116 H92 N6 O16 Sc2 -","2","1","","Balashova, Tatyana V.; Belova, Nadezhda A.; Burin, Mikhail E.; Kuzyaev, Dmitry M.; Rumyantzev, Roman V.; Fukin, Georgii K.; Pushkarev, Anatoly P.; Ilichev, Vasily A.; Grishin, Ivan D.; Shestakov, Alexander F.; Bochkarev, Mikhail N.","Substituted naphtholates of rare earth metals as emissive materials","RSC Advances","2014","","","","","10.1039/C4RA03915G","","","0.71073","MoKα","","0.0747","0.0571","","","0.1513","0.1627","","","","","","1.058","","","","has coordinates,has disorder","180507","2020-10-21","18:00:00",""
"7217644","7.2494","0.0019","13.352","0.004","16.888","0.005","90","","90","","90","","1634.7","0.8","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Cl N2 O -","- C19 H19 Cl N2 O -","- C76 H76 Cl4 N8 O4 -","4","1","","Chen, Ying-Chun; Li, Qing-Zhu; Gu, Jing","Organocatalytic Asymmetric [4+2] Formal Cycloadditions of Cyclohexenylidenemalononitriles and Enals to Construct Chiral Bicyclo[2.2.2]octanes","RSC Advances","2014","","","","","10.1039/C4RA07709A","","","0.71073","MoKα","","0.0652","0.0579","","","0.1405","0.1455","","","","","","1.002","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7217645","7.702","0.0019","11.163","0.003","11.884","0.003","106.861","0.002","92.79","0.002","94.258","0.002","972.5","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H18 Cu F20 O6 -","- C44 H18 Cu F20 O6 -","- C44 H18 Cu F20 O6 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.03","0.0271","","","0.071","0.0729","","","","","","1.056","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217646","14.845","0.003","31.844","0.007","10.082","0.002","90","","111.011","0.002","90","","4449.1","1.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H26 Cu F20 O4 -","- C48 H26 Cu F20 O4 -","- C192 H104 Cu4 F80 O16 -","4","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.036","0.0299","","","0.0785","0.0822","","","","","","1.045","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217647","7.319","0.003","9.625","0.003","12.998","0.005","82.099","0.004","76.943","0.004","88.95","0.004","883.4","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H16 Cu F20 O4 -","- C40 H16 Cu F20 O4 -","- C40 H16 Cu F20 O4 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0368","0.0322","","","0.0816","0.0847","","","","","","1.059","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217648","9.8602","0.0012","16.961","0.002","24.948","0.003","90","","90","","90","","4172.3","0.9","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C46 H22 Cu F20 O4 -","- C46 H22 Cu F20 O4 -","- C184 H88 Cu4 F80 O16 -","4","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0284","0.025","","","0.0623","0.0642","","","","","","1.019","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217649","7.7727","0.0017","12.309","0.003","12.672","0.003","65.03","0.002","85.208","0.002","79.032","0.002","1079","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H22 Cu F20 O8 -","- C46 H22 Cu F20 O8 -","- C46 H22 Cu F20 O8 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0367","0.0299","","","0.0743","0.0785","","","","","","1.041","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217650","12.3918","0.0008","10.5445","0.0006","10.1291","0.0006","90","","91.106","0.001","90","","1323.28","0.14","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H6 Cu F16 O4 -","- C30 H6 Cu F16 O4 -","- C60 H12 Cu2 F32 O8 -","2","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0318","0.0272","","","0.0676","0.0699","","","","","","1.091","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217651","8.8327","0.0004","20.6413","0.001","10.515","0.0005","90","","106.655","0.001","90","","1836.65","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H18 Cu F16 O4 -","- C42 H18 Cu F16 O4 -","- C84 H36 Cu2 F32 O8 -","2","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0299","0.027","","","0.0716","0.0731","","","","","","1.047","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217652","7.728","0.002","11.089","0.003","12.681","0.004","106.688","0.003","104.543","0.003","92.432","0.003","999.9","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H22 Cu F16 O6 -","- C44 H22 Cu F16 O6 -","- C44 H22 Cu F16 O6 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0292","0.0269","","","0.0721","0.0739","","","","","","1.067","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217653","29.351","0.003","10.5754","0.0012","21.985","0.003","90","","96.857","0.001","90","","6775.3","1.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H16 Cu F16 O4 -","- C38 H16 Cu F16 O4 -","- C304 H128 Cu8 F128 O32 -","8","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0721","0.0374","","","0.0765","0.0901","","","","","","1.003","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217654","8.0572","0.0014","23.306","0.004","10.5652","0.0018","90","","105.83","0.002","90","","1908.7","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H22 Cu F16 O4 -","- C44 H22 Cu F16 O4 -","- C88 H44 Cu2 F32 O8 -","2","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.038","0.0314","","","0.0767","0.0801","","","","","","1.04","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217655","7.225","0.002","10.922","0.004","16.756","0.005","88.023","0.004","86.76","0.003","86.128","0.004","1316.5","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H10 Cu F12 O4 -","- C30 H10 Cu F12 O4 -","- C60 H20 Cu2 F24 O8 -","2","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0388","0.0291","","","0.0707","0.0752","","","","","","1.019","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217656","8.706","0.0014","17.782","0.003","23.038","0.004","90","","99.888","0.002","90","","3513.5","1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H22 Cu F12 O4 -","- C42 H22 Cu F12 O4 -","- C168 H88 Cu4 F48 O16 -","4","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.056","0.0422","","","0.0999","0.1069","","","","","","1.025","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217657","7.126","0.0015","11.308","0.002","13.124","0.003","111.308","0.002","95.096","0.002","100.13","0.002","956.3","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H26 Cu F12 O6 -","- C44 H26 Cu F12 O6 -","- C44 H26 Cu F12 O6 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.033","0.0299","","","0.0802","0.0823","","","","","","1.033","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217658","7.4012","0.0005","25.6642","0.0016","17.3466","0.0011","90","","93.996","0.001","90","","3286.9","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 Cu F12 O4 -","- C38 H20 Cu F12 O4 -","- C152 H80 Cu4 F48 O16 -","4","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0595","0.0368","","","0.0902","0.1057","","","","","","1.055","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217659","7.0546","0.0011","9.8563","0.0015","16.396","0.003","73.042","0.002","88.21","0.002","71.792","0.002","1033.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Cu F12 O4 -","- C48 H34 Cu F12 O4 -","- C48 H34 Cu F12 O4 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0333","0.0286","","","0.0734","0.0763","","","","","","1.037","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217660","7.1345","0.0005","7.3565","0.0005","12.0946","0.0008","97.506","0.001","100.942","0.001","94.594","0.001","614.31","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H14 Cu F8 O4 -","- C30 H14 Cu F8 O4 -","- C30 H14 Cu F8 O4 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0257","0.0244","","","0.063","0.0637","","","","","","1.049","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217661","8.8091","0.0004","9.6702","0.0004","12.4941","0.0005","93.7","0.002","97.546","0.002","101.939","0.002","1027.65","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Iressa","Gefitinib","","- C22 H24 Cl F N4 O3 -","- C22 H24 Cl F N4 O3 -","- C44 H48 Cl2 F2 N8 O6 -","2","1","","Thorat, Shridhar H.; Patwadkar, Manjusha V.; Gonnade, Rajesh G.; Vaidhyanathan, R.","Capturing a novel metastable polymorph of the anticancer drug gefitinib","CrystEngComm","2014","16","37","8638","","10.1039/C4CE01446D","","","0.71073","MoKα","","0.0297","0.0277","","","0.0718","0.0738","","","","","","1.019","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217662","7.1645","0.0002","10.8025","0.0003","14.3429","0.0004","80.302","0.001","75.662","0.001","89.267","0.001","1059.63","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Iressa","Gefitinib","","- C22 H24 Cl F N4 O3 -","- C22 H24 Cl F N4 O3 -","- C44 H48 Cl2 F2 N8 O6 -","2","1","","Thorat, Shridhar H.; Patwadkar, Manjusha V.; Gonnade, Rajesh G.; Vaidhyanathan, R.","Capturing a novel metastable polymorph of the anticancer drug gefitinib","CrystEngComm","2014","16","37","8638","","10.1039/C4CE01446D","","","1.54178","CuKα","","0.0373","0.0328","","","0.0859","0.0885","","","","","","1.109","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217663","14.736","0.003","11.765","0.002","23.928","0.005","90","","105.91","0.03","90","","3989.5","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B16 H14 Na6 O48 U -","- B16 H14 Na6 O48 U -","- B64 H56 Na24 O192 U4 -","4","1","","Zhang, Yingjie; Bhadbhade, Mohan; Price, Jason R.; Karatchevtseva, Inna; Collison, David; Lumpkin, Gregory R.","Kinetics vs. thermodynamics: a unique crystal transformation from a uranyl peroxo-nanocluster to a nanoclustered uranyl polyborate","RSC Advances","2014","4","65","34244","","10.1039/C4RA06970F","","","0.7293","Synchrotron","","0.034","0.0331","","","0.0953","0.0961","","","","","","1.075","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7217664","20.234","0.003","20.234","0.003","26.874","0.005","90","","90","","90","","11003","3","100","2","100","2","","","","","","","","2","P 4/m n c","-P 4 2n","128","","","","- O118 U28 -","- O118 U28 -","- O236 U56 -","2","0.125","","Zhang, Yingjie; Bhadbhade, Mohan; Price, Jason R.; Karatchevtseva, Inna; Collison, David; Lumpkin, Gregory R.","Kinetics vs. thermodynamics: a unique crystal transformation from a uranyl peroxo-nanocluster to a nanoclustered uranyl polyborate","RSC Advances","2014","4","65","34244","","10.1039/C4RA06970F","","","0.71073","Synchrotron","","0.0634","0.0605","","","0.2467","0.2541","","","","","","1.246","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7217665","11.734","0.005","11.967","0.005","12.461","0.005","90","","114.528","0.007","90","","1591.9","1.1","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Fe N13 O -","- C34 H18 Fe N13 O -","- C68 H36 Fe2 N26 O2 -","2","0.5","","Xu, Lei; Wang, Jintao; Xu, Yan; Zhang, Zaiyong; Lu, Ping; Fang, Min; Li, Shunli; Sun, Peipei; Liu, Hong-Ke","A new strategy to construct metal‒organic frameworks with ultrahigh chemical stability","CrystEngComm","2014","16","37","8656","","10.1039/C4CE01218F","","","0.71073","MoKα","","0.1353","0.0887","","","0.2326","0.2637","","","","","","1.052","","","","has coordinates,has disorder","180507","2020-10-21","18:00:00",""
"7217666","3.8884","0.0006","14.2024","0.0015","28.643","0.003","90","","90","","90","","1581.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H14 Cl N O -","- C23 H14 Cl N O -","- C92 H56 Cl4 N4 O4 -","4","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.0641","0.0488","","","0.1147","0.1211","","","","","","1.007","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217667","3.9311","0.0003","14.2544","0.0009","28.777","0.003","90","","90","","90","","1612.5","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H14 Br N O -","- C23 H14 Br N O -","- C92 H56 Br4 N4 O4 -","4","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.0801","0.0722","","","0.1333","0.1375","","","","","","1.117","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217668","7.874","0.0013","8.367","0.0014","13.195","0.002","91.615","0.014","103.438","0.013","90.08","0.014","845.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 Cl2 N O -","- C23 H13 Cl2 N O -","- C46 H26 Cl4 N2 O2 -","2","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.0613","0.0476","","","0.1187","0.1249","","","","","","1.048","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217669","24.1672","0.0015","4.0091","0.0002","17.5905","0.0012","90","","90","","90","","1704.32","0.18","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H13 Br2 N O -","- C23 H13 Br2 N O -","- C92 H52 Br8 N4 O4 -","4","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.039","0.0348","","","0.0737","0.0752","","","","","","1.039","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217670","25.4","0.002","14.8069","0.0011","9.0424","0.0006","90","","100.146","0.006","90","","3347.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C192 H136 N8 O16 -","8","2","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.1044","0.0736","","","0.1328","0.1438","","","","","","1.094","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217671","11.718","0.016","8.241","0.011","13.602","0.018","90","","107.699","0.013","90","","1251","3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 Br O4 -","- C27 H33 Br O4 -","- C54 H66 Br2 O8 -","2","1","","Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan","Labdane-Type Diterpenoids from Croton laevigatus","RSC Advances","2014","","","","","10.1039/C4RA04863F","","","0.71073","MoKα","","0.1214","0.0498","","","0.0982","0.1278","","","","","","0.923","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217672","20.3298","0.0003","9.17075","0.00012","24.619","0.0004","90","","112.723","0.0019","90","","4233.71","0.12","294.4","0.2","294.4","0.2","","","","","","","","3","I 1 2 1","I 2y","5","crotonlaevin G","","","- C22 H36 O5 -","- C22 H36 O5 -","- C176 H288 O40 -","8","2","","Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan","Labdane-Type Diterpenoids from Croton laevigatus","RSC Advances","2014","","","","","10.1039/C4RA04863F","","","1.54184","CuKα","","0.0422","0.0411","","","0.116","0.1181","","","","","","1.051","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7217673","26.328","0.015","11.042","0.007","19.217","0.019","90","","129.1","0.004","90","","4335","6","296","2","296","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22.5 H37 Cl O5 -","- C22.125 H36.25 Cl0.5 O5 -","- C177 H290 Cl4 O40 -","8","2","","Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan","Labdane-Type Diterpenoids from Croton laevigatus","RSC Advances","2014","","","","","10.1039/C4RA04863F","","","0.71073","MoKα","","0.1511","0.0782","","","0.1144","0.1362","","","","","","1.003","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217674","9.1613","0.0004","11.8102","0.0007","16.996","0.0009","90","","95.829","0.005","90","","1829.4","0.17","290","1","290","1","","","","","","","","3","C 1 2 1","C 2y","5","crotonlaevin M","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan","Labdane-Type Diterpenoids from Croton laevigatus","RSC Advances","2014","","","","","10.1039/C4RA04863F","","","1.54184","CuKα","","0.0343","0.0341","","","0.0917","0.092","","","","","","1.058","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217675","7.1319","0.0006","14.3359","0.0011","17.4859","0.0015","90","","90","","90","","1787.8","0.3","291.4","0.1","291.44","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","crotonlaevin N","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan","Labdane-Type Diterpenoids from Croton laevigatus","RSC Advances","2014","","","","","10.1039/C4RA04863F","","","1.5418","CuKα","","0.0419","0.0374","","","0.0977","0.1019","","","","","","1.073","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217676","15.646","0.017","10.703","0.012","10.876","0.012","90","","90","","90","","1821","3","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","crotonlaevin O","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan","Labdane-Type Diterpenoids from Croton laevigatus","RSC Advances","2014","","","","","10.1039/C4RA04863F","","","0.71073","MoKα","","0.0576","0.0391","","","0.0839","0.0921","","","","","","1.077","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217677","6.519","0.002","17.905","0.006","31.128","0.01","90","","90","","90","","3633","2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","crotonlaevin P","","","- C20 H30 O3 -","- C20 H30 O3 -","- C160 H240 O24 -","8","2","","Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan","Labdane-Type Diterpenoids from Croton laevigatus","RSC Advances","2014","","","","","10.1039/C4RA04863F","","","0.71073","MoKα","","0.1383","0.0809","","","0.1654","0.194","","","","","","0.95","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217678","10.906","0.005","11.079","0.005","12.921","0.005","102.848","0.005","113.134","0.005","90.888","0.005","1390.5","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H29 Br Cl Cu N5 O6 -","- C24 H29 Br Cl Cu N5 O6 -","- C48 H58 Br2 Cl2 Cu2 N10 O12 -","2","1","","Elumalai, Sundaravadivel; Sairaj, Vedavalli; Muthusamy, Kandaswamy; Varghese, Babu; Perumal, Madankumar","DNA/BSA binding, DNA cleavage and electrochemical properties of new multidentate copper(II) complexes","RSC Advances","2014","","","","","10.1039/C4RA03554B","","","0.71073","MoKα","","0.0664","0.0368","","","0.087","0.0976","","","","","","1.007","","","","has coordinates,has disorder","180507","2020-10-21","18:00:00",""
"7217679","17.772","0.004","12.695","0.003","22.095","0.009","90","","119.79","0.02","90","","4326","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Dy2 N0 O23 S3 -","- C42 H34 Dy2 O23 S3 -","- C168 H136 Dy8 O92 S12 -","4","1","","Liu, Cai-Ming; Zhang, Deqing; Zhu, Daoben","A 2D→2D polyrotaxane lanthanide‒organic framework showing field-induced single-molecule magnet behaviour","RSC Advances","2014","","","","","10.1039/C4RA06802E","","","0.71073","MoKα","","0.0678","0.0583","","","0.1158","0.1201","","","","","","1.193","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217680","4.7556","0.0002","5.803","0.0004","39.1558","0.0019","90","","90.537","0.004","90","","1080.53","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Ni O4 S4 -","- C20 H22 Ni O4 S4 -","- C40 H44 Ni2 O8 S8 -","2","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.0791","0.0583","","","0.1021","0.1096","","","","","","1.092","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217681","6.264","0.0013","6.4556","0.0014","14.969","0.003","78.985","0.017","86.378","0.016","86.602","0.017","592.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 N2 Ni O4 S4 -","- C18 H28 N2 Ni O4 S4 -","- C18 H28 N2 Ni O4 S4 -","1","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.1038","0.0564","","","0.1313","0.1591","","","","","","0.963","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217682","5.6942","0.0009","18.8463","0.0014","10.81","0.0007","90","","90.696","0.009","90","","1160","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 Ni O4 S4 -","- C22 H20 N2 Ni O4 S4 -","- C44 H40 N4 Ni2 O8 S8 -","2","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.1001","0.0588","","","0.0977","0.1114","","","","","","0.982","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217683","6.503","0.006","10.171","0.009","11.709","0.01","75.41","0.08","80.37","0.08","72.19","0.08","710.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N4 Pd S4 -","- C28 H26 N4 Pd S4 -","- C28 H26 N4 Pd S4 -","1","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.1376","0.0775","","","0.1631","0.2144","","","","","","0.93","","","","has coordinates,has disorder","180507","2020-10-21","18:00:00",""
"7217684","5.7453","0.0003","19.0518","0.001","11.076","0.0007","90","","91.441","0.004","90","","1211.98","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O4 Pt S4 -","- C22 H20 N2 O4 Pt S4 -","- C44 H40 N4 O8 Pt2 S8 -","2","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.066","0.0378","","","0.059","0.0671","","","","","","0.927","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217685","18.8991","0.0014","15.5229","0.0011","9.0702","0.0007","90","","90","","90","","2660.9","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 Er2 N2 O16 -","- C24 H22 Er2 N2 O16 -","- C96 H88 Er8 N8 O64 -","4","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0233","0.0228","","","0.0543","0.0546","","","","","","1.001","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217686","18.825","0.014","15.373","0.011","9.047","0.007","90","","90","","90","","2618","3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 N2 O16 Yb2 -","- C24 H22 N2 O16 Yb2 -","- C96 H88 N8 O64 Yb8 -","4","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0403","0.0376","","","0.0614","0.0621","","","","","","0.997","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217687","19.116","0.007","15.714","0.006","9.069","0.004","90","","90","","90","","2724.2","1.9","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 N2 O16 Sm2 -","- C24 H22 N2 O16 Sm2 -","- C96 H88 N8 O64 Sm8 -","4","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0297","0.0282","","","0.067","0.0676","","","","","","0.998","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217688","6.4355","0.0012","13.462","0.002","13.753","0.002","61.532","0.002","82.433","0.003","81.244","0.002","1032.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 Gd O10 -","- C22 H15 Gd O10 -","- C44 H30 Gd2 O20 -","2","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0217","0.0212","","","0.0608","0.0611","","","","","","1","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217689","11.8863","0.0044","15.3948","0.0059","10.5539","0.004","90","","95.0116","0.0023","90","","1923.8","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 F3 N3 O3 -","- C18 H24 F3 N3 O3 -","- C72 H96 F12 N12 O12 -","4","2","","Zehe, Christoph; Schmidt, Marko; Siegel, Renée; Kreger, Klaus; Daebel, Venita; Ganzleben, Sandra; Schmidt, Hans-Werner; Senker, Jürgen","Influence of fluorine side-group substitution on the crystal structure formation of benzene-1,3,5-trisamides","CrystEngComm","2014","16","39","9273","","10.1039/C4CE01077A","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217690","7.8644","0.0002","23.7196","0.0005","10.4242","0.0002","90","","96.213","0.003","90","","1933.11","0.07","176","2","176.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Salorinne, Kirsi; Lahtinen, Tanja; Marjomäki, Varpu; Häkkinen, Hannu","Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution","CrystEngComm","2014","16","38","9001","","10.1039/C4CE01152J","","","0.7107","MoKα","","0.0825","0.053","","","0.1184","0.1328","","","","","","1.053","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217691","18.6194","0.0005","8.3392","0.0002","12.7669","0.0003","90","","100.331","0.003","90","","1950.19","0.09","170","2","170.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Salorinne, Kirsi; Lahtinen, Tanja; Marjomäki, Varpu; Häkkinen, Hannu","Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution","CrystEngComm","2014","16","38","9001","","10.1039/C4CE01152J","","","0.7107","MoKα","","0.084","0.0596","","","0.1498","0.1674","","","","","","1.052","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217692","8.3029","0.0003","45.5165","0.0017","11.0152","0.0004","90","","103.692","0.004","90","","4044.6","0.3","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O6 -","- C20 H25 N3 O6 -","- C160 H200 N24 O48 -","8","2","","Salorinne, Kirsi; Lahtinen, Tanja; Marjomäki, Varpu; Häkkinen, Hannu","Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution","CrystEngComm","2014","16","38","9001","","10.1039/C4CE01152J","","","0.7107","MoKα","","0.0931","0.0593","","","0.1239","0.1401","","","","","","1.059","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7217693","13.7775","0.0003","7.21311","0.00013","21.4071","0.0003","90","","90.4904","0.0016","90","","2127.33","0.07","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O6 S -","- C20 H25 N3 O6 S -","- C80 H100 N12 O24 S4 -","4","1","","Salorinne, Kirsi; Lahtinen, Tanja; Marjomäki, Varpu; Häkkinen, Hannu","Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution","CrystEngComm","2014","16","38","9001","","10.1039/C4CE01152J","","","0.7107","MoKα","","0.0607","0.0446","","","0.1137","0.1245","","","","","","1.048","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217694","5.4543","0.0011","13.088","0.003","19.406","0.004","90","","93.39","0.03","90","","1382.9","0.5","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N6 O6 -","- C30 H26 N6 O6 -","- C60 H52 N12 O12 -","2","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.1097","0.0869","","","0.2811","0.3107","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217695","19.586","0.003","19.586","0.003","24.077","0.005","90","","90","","90","","9236","3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C34 H30 N8 O12 Zn -","- C34 H30 N8 O12 Zn -","- C272 H240 N64 O96 Zn8 -","8","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.1172","0.0787","","","0.2072","0.2292","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217696","12.47","0.003","12.614","0.003","14.991","0.003","91.74","0.03","102.37","0.03","116.9","0.03","2032","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H41 N9 O14 Zn -","- C36 H41 N9 O14 Zn -","- C72 H82 N18 O28 Zn2 -","2","1","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0942","0.0582","","","0.1462","0.1699","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217697","12.355","0.003","12.541","0.003","14.681","0.003","91.05","0.03","102.88","0.03","117.34","0.03","1950.6","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H41 Cu N9 O14 -","- C36 H41 Cu N9 O14 -","- C72 H82 Cu2 N18 O28 -","2","1","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0754","0.0704","","","0.1711","0.1755","","","","","","1.085","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217698","12.28","0.003","12.491","0.003","14.649","0.003","91.44","0.03","102.46","0.03","115.88","0.03","1955.7","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Co N8 O13 -","- C32 H32 Co N8 O13 -","- C64 H64 Co2 N16 O26 -","2","1","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0784","0.0661","","","0.1577","0.1664","","","","","","1.1","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217699","19.379","0.003","19.379","0.003","23.744","0.005","90","","90","","90","","8917","3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C34 H30 Cu N8 O12 -","- C34 H30 Cu N8 O12 -","- C272 H240 Cu8 N64 O96 -","8","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.163","0.0913","","","0.2315","0.2719","","","","","","1.021","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217700","19.642","0.003","19.642","0.003","23.896","0.005","90","","90","","90","","9219","3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C34 H30 Co N8 O12 -","- C34 H30 Co N8 O12 -","- C272 H240 Co8 N64 O96 -","8","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0733","0.0636","","","0.1776","0.1843","","","","","","1.017","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217701","24.8319","0.0017","33.532","0.0017","18.7099","0.0016","90","","90","","90","","15579","1.9","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C69 H27 Cu6 O36 -","- C69 H27 Cu6 O36 -","- C276 H108 Cu24 O144 -","4","0.25","","Duan, Xing; Song, Ruijing; Yu, Jiancan; Wang, Hailong; Cui, Yuanjing; Yang, Yu; Chen, Banglin; Qian, Guodong","A new microporous metal-organic framework with open metal sites and exposed carboxylic acid groups for selective separation of CO2/CH4 and C2H2/CH4","RSC Advances","2014","","","","","10.1039/C4RA07246D","","","0.71073","MoKα","","0.1459","0.0587","","","0.1512","0.1725","","","","","","0.809","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217702","12.4985","0.0013","9.3025","0.0009","18.0441","0.0018","90","","90.754","0.002","90","","2097.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,5-diphenyl-1-(trifluoromethyl)-3,11-dihydro-5,11-methanobenzo[7,8][1,3]dioxocino[4,5-c]pyrazole","","- C25 H17 F3 N2 O2 -","- C25 H17 F3 N2 O2 -","- C100 H68 F12 N8 O8 -","4","1","","Atmakur, Krishnaiah; Bingi, Chiranjeevi; Emmadi, Narender Reddy; Chennapuram, Madhu; Nanubolu, Jagadeesh Babu","A simple and catalyst free one pot access to the pyrazolone fused 2,8-dioxabicyclo[3.3.1]nonanes","RSC Advances","2014","","","","","10.1039/C4RA07278B","","","0.71073","MoKα","","0.0535","0.0435","","","0.1149","0.1239","","","","","","1.021","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217703","5.194","0.0003","4.9806","0.0004","30.954","0.003","90","","91.717","0.006","90","","800.4","0.11","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cl2 N4 -","- C14 H20 Cl2 N4 -","- C28 H40 Cl4 N8 -","2","0.5","","Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations","RSC Advances","2014","","","","","10.1039/C4RA05029K","","","0.71073","MoKα","","0.0786","0.0615","","","0.1124","0.1196","","","","","","1.091","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217704","5.2548","0.0004","4.8972","0.0004","31.167","0.003","90","","92.4","0.007","90","","801.34","0.12","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cl2 N4 -","- C14 H20 Cl2 N4 -","- C28 H40 Cl4 N8 -","2","0.5","","Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations","RSC Advances","2014","","","","","10.1039/C4RA05029K","","","0.71073","MoKα","","0.0783","0.0679","","","0.0904","0.1055","","","","","","1.004","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217705","5.6626","0.0005","5.7272","0.0004","14.4655","0.0013","80.726","0.007","84.609","0.007","89.403","0.007","460.94","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N6 O7 -","- C14 H20 N6 O7 -","- C14 H20 N6 O7 -","1","0.5","","Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations","RSC Advances","2014","","","","","10.1039/C4RA05029K","","","0.71073","MoKα","","0.0724","0.0563","","","0.1469","0.1623","","","","","","1.031","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217706","5.7604","0.0012","5.6367","0.0011","27.451","0.006","90","","93.39","0.03","90","","889.8","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N6 O6 -","- C14 H20 N6 O6 -","- C28 H40 N12 O12 -","2","0.5","","Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations","RSC Advances","2014","","","","","10.1039/C4RA05029K","","","0.71073","MoKα","","0.0984","0.0486","","","0.1261","0.1916","","","","","","1.096","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217707","12.3246","0.0006","11.0455","0.0005","15.1138","0.0005","90","","106.214","0.004","90","","1975.63","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N6 O8 -","- C14 H24 N6 O8 -","- C56 H96 N24 O32 -","4","1","","Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations","RSC Advances","2014","","","","","10.1039/C4RA05029K","","","0.71073","MoKα","","0.0757","0.0507","","","0.1311","0.1434","","","","","","1.071","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217708","7.6857","0.0015","8.7364","0.0017","8.8059","0.0018","112.2","0.03","102.88","0.03","96.14","0.03","521.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 Cl2 N4 O10 -","- C14 H24 Cl2 N4 O10 -","- C14 H24 Cl2 N4 O10 -","1","0.5","","Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations","RSC Advances","2014","","","","","10.1039/C4RA05029K","","","0.71073","MoKα","","0.0743","0.069","","","0.1915","0.1981","","","","","","1.085","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217709","9.7044","0.0019","8.7674","0.0018","11.111","0.002","90","","107.31","0.03","90","","902.5","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cl2 N4 O8 -","- C14 H20 Cl2 N4 O8 -","- C28 H40 Cl4 N8 O16 -","2","0.5","","Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations","RSC Advances","2014","","","","","10.1039/C4RA05029K","","","0.71073","MoKα","","0.0898","0.0547","","","0.1467","0.2042","","","","","","1.064","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217710","9.1173","0.0005","9.3303","0.0005","12.6102","0.0011","105.576","0.006","105.569","0.006","98.003","0.004","969.25","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Cl2 N4 O8 -","- C14 H20 Cl2 N4 O8 -","- C28 H40 Cl4 N8 O16 -","2","1","","Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations","RSC Advances","2014","","","","","10.1039/C4RA05029K","","","0.71073","MoKα","","0.122","0.0826","","","0.2091","0.2401","","","","","","1.019","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217711","5.1471","0.0008","8.9123","0.0014","11.038","0.002","113.121","0.013","97.784","0.013","91.085","0.012","459.93","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 Cl4 N4 -","- C14 H22 Cl4 N4 -","- C14 H22 Cl4 N4 -","1","0.5","","Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations","RSC Advances","2014","","","","","10.1039/C4RA05029K","","","0.71073","MoKα","","0.0808","0.0726","","","0.1867","0.1965","","","","","","1.029","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217712","5.2162","0.0006","9.0691","0.0012","10.8806","0.001","65.623","0.011","82.154","0.009","87.04","0.01","464.44","0.1","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 Cl4 N4 -","- C14 H22 Cl4 N4 -","- C14 H22 Cl4 N4 -","1","0.5","","Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations","RSC Advances","2014","","","","","10.1039/C4RA05029K","","","0.71073","MoKα","","0.0732","0.0548","","","0.1339","0.1432","","","","","","1.013","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217713","5.7272","0.0011","9.5077","0.0019","19.805","0.004","90","","95.06","0.03","90","","1074.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N8 O12 -","- C14 H22 N8 O12 -","- C28 H44 N16 O24 -","2","0.5","","Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations","RSC Advances","2014","","","","","10.1039/C4RA05029K","","","0.71073","MoKα","","0.1257","0.0598","","","0.1357","0.1873","","","","","","1.061","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217714","6.6103","0.0013","8.2099","0.0016","10.764","0.002","90.07","0.03","100.1","0.03","111.18","0.03","534.9","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N8 O12 -","- C14 H22 N8 O12 -","- C14 H22 N8 O12 -","1","0.5","","Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations","RSC Advances","2014","","","","","10.1039/C4RA05029K","","","0.71073","MoKα","","0.0539","0.0416","","","0.1151","0.1374","","","","","","1.089","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217715","6.9394","0.001","7.4069","0.0009","11.129","0.0012","96.147","0.01","105.845","0.011","109.686","0.013","505.46","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N8 O12 -","- C14 H22 N8 O12 -","- C14 H22 N8 O12 -","1","0.5","","Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations","RSC Advances","2014","","","","","10.1039/C4RA05029K","","","0.71073","MoKα","","0.0443","0.0369","","","0.0931","0.0982","","","","","","1.056","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217716","5.7513","0.0012","11.129","0.002","18.787","0.004","90","","95.86","0.03","90","","1196.2","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl4 N4 O16 -","- C14 H22 Cl4 N4 O16 -","- C28 H44 Cl8 N8 O32 -","2","0.5","","Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations","RSC Advances","2014","","","","","10.1039/C4RA05029K","","","0.71073","MoKα","","0.1193","0.0667","","","0.1588","0.2253","","","","","","1.078","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217717","13.246","0.003","7.0335","0.0014","13.834","0.003","90","","113.68","0.03","90","","1180.3","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Cl4 N4 O16 -","- C14 H22 Cl4 N4 O16 -","- C28 H44 Cl8 N8 O32 -","2","0.5","","Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations","RSC Advances","2014","","","","","10.1039/C4RA05029K","","","0.71073","MoKα","","0.1162","0.0648","","","0.1308","0.1529","","","","","","1.006","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217718","7.629","0.0015","8.1477","0.0016","10.747","0.002","86.61","0.03","87.69","0.03","65.83","0.03","608.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Cl4 N4 O16 -","- C14 H22 Cl4 N4 O16 -","- C14 H22 Cl4 N4 O16 -","1","0.5","","Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations","RSC Advances","2014","","","","","10.1039/C4RA05029K","","","0.71073","MoKα","","0.1293","0.0654","","","0.091","0.1012","","","","","","1.012","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217719","5.3506","0.001","7.2877","0.0014","5.1174","0.001","109.237","0.002","97.878","0.002","106.397","0.002","174.81","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Lithium Iron Phosphate Hydroxide","Lithium Iron Phosphate Hydroxide","","- Fe H Li O5 P -","- Fe H Li O5 P -","- Fe2 H2 Li2 O10 P2 -","2","1","","Yaghoobnejad-Asl, Hooman; Choudhury, Amitava","Phosphorous Acid Route Synthesis of Iron Tavorite Phases, LiFePO4(OH)xF1-x [0≤ x ≤1] and Comparative Study of Their Electrochemical Activities","RSC Advances","2014","","","","","10.1039/C4RA05391E","","","0.71073","MoKα","","0.0437","0.0393","","","0.1126","0.1145","","","","","","1.265","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217720","31.2431","0.0016","8.2932","0.0004","15.2316","0.0008","90","","92.759","0.001","90","","3942","0.3","153","","153","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Fe N3 O6 -","- C21 H18 Fe N3 O6 -","- C168 H144 Fe8 N24 O48 -","8","1","","Tanaka, Shinji; Kon, Yoshihiro; Nakashima, Takuya; Sato, Kazuhiko","Chemoselective Hydrogen Peroxide Oxidation of Allylic and Benzylic Alcohols under Mild Reaction Conditions Catalyzed by Simple Iron-picolinate Complexes","RSC Advances","2014","","","","","10.1039/C4RA05819D","","","0.71069","MoKα","","","0.0271","","","","0.0747","","","","","","1.069","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217721","12.6491","0.0008","7.9932","0.0004","21.9541","0.0013","90","","105.45","0.007","90","","2139.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-methoxyphenyl)-2-(naphthalen-2-yl)-5-phenyl-1H-pyrrole- 3-carbaldehyde","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","Kumar, Indresh; Mir, Nisar A.; Ramaraju, Panduga; Singh, Deepika; Kant, Rajani; Gupta, Vivek","Direct catalytic synthesis of densely substituted 3-formylpyrroles from imines and 1,4-ketoaldehydes","RSC Advances","2014","","","","","10.1039/C4RA06581F","","","0.71073","MoKα","","0.0962","0.0489","","","0.0904","0.1114","","","","","","0.918","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217722","12.7953","0.001","12.7953","0.001","12.7953","0.001","90","","90","","90","","2094.8","0.3","290.81","0.1","290.81","0.1","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C24 O13 Zn4 -","1","0.0208333","","Tshering, Lodey; Hunter, Sally O.; Nikolich, Alexandra; Minato, Erica; Fitchett, Christopher M.; D'Alessandro, Deanna M.; Richardson, Christopher","Post-synthetic pore-space expansion in a di-tagged metal‒organic framework","CrystEngComm","2014","16","39","9158","","10.1039/C4CE01377H","","","1.54184","CuKα","","0.2189","0.1982","","","0.5018","0.5309","","","","","","2.242","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217723","25.7643","0.0003","25.7643","0.0003","25.7643","0.0003","90","","90","","90","","17102.3","0.3","290.81","0.1","290.81","0.1","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0416667","","Tshering, Lodey; Hunter, Sally O.; Nikolich, Alexandra; Minato, Erica; Fitchett, Christopher M.; D'Alessandro, Deanna M.; Richardson, Christopher","Post-synthetic pore-space expansion in a di-tagged metal‒organic framework","CrystEngComm","2014","16","39","9158","","10.1039/C4CE01377H","","","0.71073","MoKα","","0.0938","0.0616","","","0.1817","0.2249","","","","","","1.067","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217724","35.744","0.002","35.744","0.002","23.9081","0.0016","90","","90","","120","","26453","3","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C210 H162 Cl18 N18 O6 Zn6 -","- C186 H126 Cl12 N18 Zn6 -","- C558 H378 Cl36 N54 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.0526","0.0311","","","0.0626","0.0661","","","","","","0.799","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217725","23.6145","0.0015","23.6145","0.0015","16.4568","0.001","90","","90","","90","","9177","1","123","2","123","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C125 H84 Cl12 F20 N12 O5 Zn4 -","- C108 H56 Cl8 F20 N12 Zn4 -","- C216 H112 Cl16 F40 N24 Zn8 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.1907","0.0769","","","0.159","0.1884","","","","","","0.853","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217726","14.9652","0.001","16.3097","0.0012","24.4444","0.0018","90","","91.698","0.002","90","","5963.7","0.7","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H43 Cl3 I4 N6 Zn2 -","- C63 H43 Cl3 I4 N6 Zn2 -","- C252 H172 Cl12 I16 N24 Zn8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","0.71073","MoKα","","0.0728","0.0493","","","0.1034","0.1195","","","","","","1.138","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217727","70.6015","0.0018","70.6015","0.0018","23.992","0.0006","90","","90","","120","","103568","5","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C206 H146 Cl18 N18 O2 Zn6 -","- C186 H126 Cl12 N18 Zn6 -","- C2232 H1512 Cl144 N216 Zn72 -","12","0.666667","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.179","0.1199","","","0.2869","0.3228","","","","","","0.971","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217728","14.3701","0.0012","22.089","0.002","26.512","0.003","95.414","0.006","95.48","0.006","92.935","0.005","8324.2","1.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C170 H125 Cl20 N12 O4 Zn4 -","- C124 H84 Cl8 N12 Zn4 -","- C248 H168 Cl16 N24 Zn8 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.0941","0.0714","","","0.1933","0.2079","","","","","","1.034","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217729","14.3665","0.0006","20.7814","0.0008","26.2162","0.0013","99.654","0.003","97.51","0.003","103.905","0.003","7369.5","0.6","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C158 H93 Cl22 F20 N12 O2 Zn4 -","- C108 H56 Cl8 F20 N12 Zn4 -","- C216 H112 Cl16 F40 N24 Zn8 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.1002","0.0695","","","0.1763","0.1906","","","","","","0.932","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217730","9.998","0.0004","11.2625","0.0004","11.6848","0.0005","64.985","0.001","80.227","0.002","89.948","0.002","1171.31","0.08","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H58 N4 O4 -","- C58 H58 N4 O4 -","- C58 H58 N4 O4 -","1","0.5","","Brauchli, Sven Y.; Bozic-Weber, Biljana; Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Zampese, Jennifer A.","Factors controlling the photoresponse of copper(i) diimine dyes containing hole-transporting dendrons in dye-sensitized solar cells: substituent and solvent effects","RSC Advances","2014","4","66","34801","","10.1039/C4RA03700F","","","1.54178","CuKα","","0.0376","0.0343","","","0.091","0.0942","","","","","","1.04","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217731","11.877","0.002","13.855","0.003","13.921","0.003","90","","114.403","0.002","90","","2086.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O5 Zn -","- C16 H14 N2 O5 Zn -","- C64 H56 N8 O20 Zn4 -","4","1","","Yun, Ruirui; luo, shizhong; Jiang, Yaqin; Chen, Cheng","Three-dimensional coordination polymers constructed from C2-symmetric linkers of pyridyl dicarboxylate ligands","RSC Advances","2014","","","","","10.1039/C4RA07128J","","","0.71073","MoKα","","0.0371","0.0311","","","0.0843","0.0861","","","","","","1.023","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217732","15.3645","0.0011","15.1275","0.0011","8.311","0.0006","90","","91.85","0.001","90","","1930.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O5 Zn -","- C22 H18 N2 O5 Zn -","- C88 H72 N8 O20 Zn4 -","4","1","","Yun, Ruirui; luo, shizhong; Jiang, Yaqin; Chen, Cheng","Three-dimensional coordination polymers constructed from C2-symmetric linkers of pyridyl dicarboxylate ligands","RSC Advances","2014","","","","","10.1039/C4RA07128J","","","0.71073","MoKα","","0.0576","0.0516","","","0.1616","0.1676","","","","","","1.077","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217733","6.5657","0.0004","15.4051","0.0008","14.3212","0.0007","90","","100.183","0.005","90","","1425.7","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br2 S2 -","- C14 H12 Br2 S2 -","- C56 H48 Br8 S8 -","4","1","","Iyer, Parameswar K.; Bhim Raju, Telugu; Gopikrishna, Peddaboodi","Highly Efficient and Facile Alkylation of 4H-Cyclopenta [2,1-b:3,4-b’]dithiophene in Water","RSC Advances","2014","","","","","10.1039/C4RA08119F","","","0.7107","MoKα","","0.1046","0.0631","","","0.1148","0.1381","","","","","","1.026","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217734","16.3889","0.001","8.8163","0.0003","14.1318","0.0004","90","","90","","90","","2041.9","0.15","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C16 H22 Cl2 N4 O4 Pd -","- C16 H18 Cl2 N4 O4 Pd -","- C64 H72 Cl8 N16 O16 Pd4 -","4","0.5","","Kumar, Alok; Purkait, Kallol; Dey, Suman Kr.; Sarkar, Amrita; Mukherjee, Arindam","A hydroquinone based palladium catalyst for room temperature nitro reduction in water","RSC Advances","2014","4","66","35233","","10.1039/C4RA06547F","","","0.71073","MoKα","","0.0386","0.0342","","","0.0752","0.0798","","","","","","1.072","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217735","17.9195","0.0008","5.9807","0.0003","16.6142","0.0008","90","","99.089","0.002","90","","1758.21","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(4-Fluorophenyl)-2-(4-(methylsulfonyl)phenyl)-1H-indole","","- C21 H16 F N O2 S -","- C21 H16 F N O2 S -","- C84 H64 F4 N4 O8 S4 -","4","1","","Laube, Markus; Tondera, Christoph; Sharma, Sai Kiran; Bechmann, Nicole; Pietzsch, Franz Jacob; Pigorsch, Arne; Köckerling, Martin; Wuest, Frank; Pietzsch, Jens; Kniess, Torsten","2,3-Diaryl-substituted Indole based COX-2 Inhibitors as Leads for Imaging Tracer Development","RSC Advances","2014","","","","","10.1039/C4RA05650G","","","0.71073","MoKα","","0.0489","0.0397","","","0.1007","0.1075","","","","","","1.051","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217736","13.4778","0.0007","5.3885","0.0003","26.674","0.001","90","","94.875","0.003","90","","1930.19","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(2-(4-Fluorobenzoyl)-4-methylphenyl)-4-(methylsulfonyl)benzamide","","- C22 H18 F N O4 S -","- C22 H18 F N O4 S -","- C88 H72 F4 N4 O16 S4 -","4","1","","Laube, Markus; Tondera, Christoph; Sharma, Sai Kiran; Bechmann, Nicole; Pietzsch, Franz Jacob; Pigorsch, Arne; Köckerling, Martin; Wuest, Frank; Pietzsch, Jens; Kniess, Torsten","2,3-Diaryl-substituted Indole based COX-2 Inhibitors as Leads for Imaging Tracer Development","RSC Advances","2014","","","","","10.1039/C4RA05650G","","","0.71073","MoKα","","0.0704","0.0437","","","0.1173","0.1324","","","","","","1.067","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217737","5.5241","0.0002","8.5534","0.0002","14.6136","0.0004","82.578","0.001","88.938","0.001","72.577","0.001","653.14","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Fluorophenyl)-2-[4-(methylsulfonyl)phenyl]-ethanone","","- C15 H13 F O3 S -","- C15 H13 F O3 S -","- C30 H26 F2 O6 S2 -","2","1","","Laube, Markus; Tondera, Christoph; Sharma, Sai Kiran; Bechmann, Nicole; Pietzsch, Franz Jacob; Pigorsch, Arne; Köckerling, Martin; Wuest, Frank; Pietzsch, Jens; Kniess, Torsten","2,3-Diaryl-substituted Indole based COX-2 Inhibitors as Leads for Imaging Tracer Development","RSC Advances","2014","","","","","10.1039/C4RA05650G","","","0.71073","MoKα","","0.0601","0.0419","","","0.11","0.1216","","","","","","1.042","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217738","11.6987","0.0006","18.059","0.001","9.5364","0.0005","90","","110.647","0.002","90","","1885.32","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Methoxyphenyl)-3-[4-(methylsulfonyl)phenyl]-1H-indole","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Laube, Markus; Tondera, Christoph; Sharma, Sai Kiran; Bechmann, Nicole; Pietzsch, Franz Jacob; Pigorsch, Arne; Köckerling, Martin; Wuest, Frank; Pietzsch, Jens; Kniess, Torsten","2,3-Diaryl-substituted Indole based COX-2 Inhibitors as Leads for Imaging Tracer Development","RSC Advances","2014","","","","","10.1039/C4RA05650G","","","0.71073","MoKα","","0.0558","0.0396","","","0.1091","0.1204","","","","","","1.043","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217739","9.9038","0.0014","13.785","0.003","16.149","0.003","90","","101.077","0.015","90","","2163.6","0.7","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H23 N3 O8 S -","- C18 H23 N3 O8 S -","- C72 H92 N12 O32 S4 -","4","2","","Kumar, Manish; Sharma, Vivek; Olsen, carl E; Prasad, Ashok","Chemo-enzymatic synthesis of bicyclic 3′-azido- and 3′-amino-nucleosides","RSC Advances","2014","","","","","10.1039/C4RA06805J","","","0.71073","MoKα","","0.0845","0.0545","","","0.0992","0.1118","","","","","","0.99","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217740","10.2802","0.0008","11.3015","0.0009","18.059","0.0014","90","","104.234","0.001","90","","2033.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-methoxybenzoyl)-3-(4-nitrophenyl)spiro[cyclopropane-1,3'-indolin]-2'-one","","- C24 H18 N2 O5 -","- C24 H18 N2 O5 -","- C96 H72 N8 O20 -","4","1","","Kapure, Jeevak; Reddy, Chada Narsimha; Adiyala, Praveen; Nayak, Ranjita; V, Lakshma Nayak; Nanubolu, Jagadeesh Babu; Singarapu, Kiran Kumar; Maurya, Ram Awatar","Diastereoselective synthesis of spiro[cyclopropane-1,3’-indolin]-2’-ones through metal-free cyclopropanation using tosylhydrazone salts","RSC Advances","2014","","","","","10.1039/C4RA05755D","","","0.71073","MoKα","","0.0425","0.0377","","","0.1","0.1048","","","","","","1.025","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217741","11.191","0.002","12.389","0.003","12.401","0.003","70.12","0.03","63.48","0.03","64.17","0.03","1361.9","0.7","150.1","0.2","150.1","0.1","","","","","","","","6","P -1","-P 1","2","Ni5-MeOH","Ni5(1)-MeOH","","- C42 H64 Cl2 N8 Ni5 O22 -","- C42 H64 Cl2 N8 Ni5 O22 -","- C42 H64 Cl2 N8 Ni5 O22 -","1","0.5","","jones, leigh Fon; McDonald, Cecelia; Brechin, Euan Kenneth; Sanz, Sergio; Rajaraman, Gopalan; Singh, Mukesh Kumar; Gaynor, Declan","High Nuclearity Ni(II) Cages from Hydroxamate Ligands","RSC Advances","2014","","","","","10.1039/C4RA06064D","","","0.7107","MoKα","","0.0349","0.0308","","","0.0736","0.0758","","","","","","1.024","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217742","14.6573","0.0004","15.1811","0.0004","29.7812","0.0011","90","","93.552","0.003","90","","6614","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni5(L)4(py)5](ClO4)2.1H2O","","","- C61 H67 Cl2 N13 Ni5 O17 -","- C61 H65 Cl2 N13 Ni5 O17 -","- C244 H260 Cl8 N52 Ni20 O68 -","4","1","","jones, leigh Fon; McDonald, Cecelia; Brechin, Euan Kenneth; Sanz, Sergio; Rajaraman, Gopalan; Singh, Mukesh Kumar; Gaynor, Declan","High Nuclearity Ni(II) Cages from Hydroxamate Ligands","RSC Advances","2014","","","","","10.1039/C4RA06064D","","","0.7107","MoKα","","0.0854","0.0482","","","0.0993","0.1139","","","","","","1.023","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217743","29.1847","0.0011","21.2385","0.0007","19.7536","0.0006","90","","90","","90","","12244.1","0.7","214","0.9","214","0.9","","","","","","","","6","I m a 2","I 2 -2a","46","Ni9-SO4.29H2O","Ni9-SO4","","- C70 H130 N20 Ni9 O57 S -","- C70 H68 N20 Ni9 O28 S -","- C280 H272 N80 Ni36 O112 S4 -","4","0.5","","jones, leigh Fon; McDonald, Cecelia; Brechin, Euan Kenneth; Sanz, Sergio; Rajaraman, Gopalan; Singh, Mukesh Kumar; Gaynor, Declan","High Nuclearity Ni(II) Cages from Hydroxamate Ligands","RSC Advances","2014","","","","","10.1039/C4RA06064D","","","0.7107","MoKα","","0.0844","0.0598","","","0.1455","0.1531","","","","","","0.964","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217744","20.0036","0.0007","25.0628","0.0009","21.2234","0.0005","90","","90.32","0.002","90","","10640.1","0.6","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","[Ni9]-(ClO4)2","","","- C74 H116 Cl2 N20 Ni9 O52 -","- C72 H76 Cl2 N20 Ni9 O52 -","- C288 H304 Cl8 N80 Ni36 O208 -","4","1","","jones, leigh Fon; McDonald, Cecelia; Brechin, Euan Kenneth; Sanz, Sergio; Rajaraman, Gopalan; Singh, Mukesh Kumar; Gaynor, Declan","High Nuclearity Ni(II) Cages from Hydroxamate Ligands","RSC Advances","2014","","","","","10.1039/C4RA06064D","","","0.7107","MoKα","","0.0989","0.0693","","","0.1594","0.1769","","","","","","1.027","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217745","11.7091","0.0018","15.066","0.002","13.811","0.002","90","","96.441","0.004","90","","2421","0.6","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H39 Ag5 I7 Mn N7 O4 -","- C29 H39 Ag5 I7 Mn N7 O4 -","- C58 H78 Ag10 I14 Mn2 N14 O8 -","2","1","","Shen, Yali; Lu, Jialin; Tang, Chunying; Wang, Fang; Zhang, Yong; Jia, Dingxian","Polymeric templates and solvent effects: syntheses and properties of polymeric iodoargentates containing solvated [Mn(4,4′-bpy)]2+ cations","RSC Advances","2014","","","","","10.1039/C4RA08121H","","","0.71073","MoKα","","0.0394","0.0366","","","0.0686","0.07","","","","","","0.977","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217746","8.2323","0.0012","34.488","0.005","15.856","0.002","90","","94.218","0.004","90","","4489.6","1.1","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H64 Ag11 I15 Mn2 N4 O8 S8 -","- C36 H40 Ag11 I15 Mn2 N4 O8 S8 -","- C72 H80 Ag22 I30 Mn4 N8 O16 S16 -","2","0.5","","Shen, Yali; Lu, Jialin; Tang, Chunying; Wang, Fang; Zhang, Yong; Jia, Dingxian","Polymeric templates and solvent effects: syntheses and properties of polymeric iodoargentates containing solvated [Mn(4,4′-bpy)]2+ cations","RSC Advances","2014","","","","","10.1039/C4RA08121H","","","0.71073","MoKα","","0.0654","0.0411","","","0.103","0.135","","","","","","1.013","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217747","16.352","0.0011","7.892","0.0005","27.221","0.002","90","","100.299","0.002","90","","3456.3","0.4","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Ag10 I12 Mn N4 O8 S4 -","- C28 H48 Ag10 I12 Mn N4 O8 S4 -","- C56 H96 Ag20 I24 Mn2 N8 O16 S8 -","2","0.5","","Shen, Yali; Lu, Jialin; Tang, Chunying; Wang, Fang; Zhang, Yong; Jia, Dingxian","Polymeric templates and solvent effects: syntheses and properties of polymeric iodoargentates containing solvated [Mn(4,4′-bpy)]2+ cations","RSC Advances","2014","","","","","10.1039/C4RA08121H","","","0.71073","MoKα","","0.0577","0.0474","","","0.0836","0.0869","","","","","","1.193","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217748","13.0276","0.0018","16.091","0.002","22.994","0.005","86.67","0.014","86.076","0.014","73.569","0.011","4608.7","1.3","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H79 Ag10 I14 Mn2 N11 O10 S2 -","- C45 H55 Ag10 I14 Mn2 N11 O10 S2 -","- C90 H110 Ag20 I28 Mn4 N22 O20 S4 -","2","1","","Shen, Yali; Lu, Jialin; Tang, Chunying; Wang, Fang; Zhang, Yong; Jia, Dingxian","Polymeric templates and solvent effects: syntheses and properties of polymeric iodoargentates containing solvated [Mn(4,4′-bpy)]2+ cations","RSC Advances","2014","","","","","10.1039/C4RA08121H","","","0.71073","MoKα","","0.0825","0.0584","","","0.1035","0.1418","","","","","","1.127","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217749","9.523","0.005","5.419","0.005","26.034","0.005","90","0.005","95.631","0.005","90","0.005","1337","1.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H29 N O13 -","- C24 H29 N O13 -","- C48 H58 N2 O26 -","2","1","","Hemamalini, Arasappan; Mohan das, Thangamuthu","Exploration, synthesis and studies of gel forming simple sugar-chalcone derivatives","RSC Advances","2014","","","","","10.1039/C4RA06544A","","","0.71073","MoKα","","0.0566","0.0396","","","0.0963","0.1053","","","","","","1.028","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217750","11.213","0.002","12.434","0.003","16.01","0.003","90","","104.25","0.03","90","","2163.5","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl N2 O3 Re S -","- C22 H16 Cl N2 O3 Re S -","- C88 H64 Cl4 N8 O12 Re4 S4 -","4","1","","Mondal, Pallab; Sarkar, Rupa; Hens, Amar; Rajak, Kajal Krishna","Mononuclear rhenium(I) complexes incorporating 2-(Arylazo)phenyl benzyl thioethers: synthesis, structure, spectral, DFT and TDDFT study","RSC Advances","2014","","","","","10.1039/C4RA05699J","","","0.71073","MoKα","","0.0465","0.0338","","","0.0703","0.0745","","","","","","1.04","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217751","11.3004","0.0014","12.5107","0.0015","16.729","0.002","90","","108.932","0.002","90","","2237.1","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl2 N2 O3 Re S -","- C22 H15 Cl2 N2 O3 Re S -","- C88 H60 Cl8 N8 O12 Re4 S4 -","4","1","","Mondal, Pallab; Sarkar, Rupa; Hens, Amar; Rajak, Kajal Krishna","Mononuclear rhenium(I) complexes incorporating 2-(Arylazo)phenyl benzyl thioethers: synthesis, structure, spectral, DFT and TDDFT study","RSC Advances","2014","","","","","10.1039/C4RA05699J","","","0.71073","MoKα","","0.0268","0.0203","","","0.0426","0.0447","","","","","","1.047","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217752","8.6845","0.001","10.212","0.0012","15.7233","0.0017","90","","96.264","0.002","90","","1386.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Si -","- C16 H19 Si -","- C64 H76 Si4 -","4","1","","Xu, Li-Wen; Wei, Yun-Long; Yang, Ke-Fang; Li, Fei; Zheng, Zhan-Jiang; xu, zheng","Probing Evolution of Ar-BINMOL-derived Salen-Co(III) Complex for Asymmetric Henry Reactions of Aromatic Aldehydes","RSC Advances","2014","","","","","10.1039/C4RA06056C","","","0.71073","MoKα","","0.054","0.0467","","","0.1284","0.1485","","","","","","1.104","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217753","10.401","0.003","14.123","0.004","19.125","0.006","90.608","0.008","96.072","0.009","99.224","0.009","2756.4","1.4","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Cl2 Cu2 F2 N12 O17 -","- C50 H52 Cl2 Cu2 F2 N12 O17 -","- C100 H104 Cl4 Cu4 F4 N24 O34 -","2","1","","Huang, Wan-Yun; Li, Ji; Kong, Shi-Lin; Wang, Zhong-Chang; Zhu, Hai-Liang","Cu(ii) and Co(ii) ternary complexes of quinolone antimicrobial drug enoxacin and levofloxacin: structure and biological evaluation","RSC Advances","2014","4","66","35193","","10.1039/C4RA05812G","","","0.71073","MoKα","","0.2455","0.1015","","","0.1741","0.2222","","","","","","1.076","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217754","13.2744","0.0014","13.713","0.002","14.1741","0.0015","81.403","0.012","64.381","0.01","89.639","0.011","2295.4","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H49 Cl Co F2 N8 O14 -","- C42 H49 Cl Co F2 N8 O14 -","- C84 H98 Cl2 Co2 F4 N16 O28 -","2","1","","Huang, Wan-Yun; Li, Ji; Kong, Shi-Lin; Wang, Zhong-Chang; Zhu, Hai-Liang","Cu(ii) and Co(ii) ternary complexes of quinolone antimicrobial drug enoxacin and levofloxacin: structure and biological evaluation","RSC Advances","2014","4","66","35193","","10.1039/C4RA05812G","","","0.71073","MoKα","","0.0891","0.0706","","","0.1941","0.2097","","","","","","1.146","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217755","10.598","0.003","10.71","0.003","15.085","0.004","80.41","0.004","86.353","0.004","69.459","0.003","1580.9","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 Cl Cu F N5 O11 -","- C28 H33 Cl Cu F N5 O11 -","- C56 H66 Cl2 Cu2 F2 N10 O22 -","2","1","","Huang, Wan-Yun; Li, Ji; Kong, Shi-Lin; Wang, Zhong-Chang; Zhu, Hai-Liang","Cu(ii) and Co(ii) ternary complexes of quinolone antimicrobial drug enoxacin and levofloxacin: structure and biological evaluation","RSC Advances","2014","4","66","35193","","10.1039/C4RA05812G","","","0.71073","MoKα","","0.0495","0.0459","","","0.1548","0.1579","","","","","","1.073","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217756","20.36","0.011","32.323","0.016","10.184","0.005","90","","109.733","0.006","90","","6308","6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Cl2 Co F2 N8 O24 -","- C48 H48 Cl2 Co F2 N8 O24 -","- C192 H192 Cl8 Co4 F8 N32 O96 -","4","0.5","","Huang, Wan-Yun; Li, Ji; Kong, Shi-Lin; Wang, Zhong-Chang; Zhu, Hai-Liang","Cu(ii) and Co(ii) ternary complexes of quinolone antimicrobial drug enoxacin and levofloxacin: structure and biological evaluation","RSC Advances","2014","4","66","35193","","10.1039/C4RA05812G","","","0.71073","MoKα","","0.1422","0.0987","","","0.2574","0.3029","","","","","","1.097","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217757","16.04016","0.00012","16.04016","0.00012","17.79763","0.00016","90","","90","","120","","3965.61","0.06","150","2","150","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","bis(cis-(NCsp^3^'-((3-oxy)-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylene)benzhydrazonato-dioxo-molybdenum(VI)) (μU~eq~6-oxo)-dodecakis(μU~eq~2-oxo)-hexa(oxomolybdenum) acetonitrile solvate (1/2)","","- C17 H17 Mo4 N4 O14.5 -","- C17 H17 Mo4 N4 O14.5 -","- C102 H102 Mo24 N24 O87 -","6","1","","Pisk, Jana; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Jednačak, Tomislav; Novak, Predrag; Agustin, Dominique; Vrdoljak, Visnja","Pyridoxal hydrazonato molybdenum(VI) complexes: Assembly, Structure and Epoxidation (Pre)Catalyst testing under solvent-free conditions","RSC Advances","2014","","","","","10.1039/C4RA08179J","","","0.71073","MoKα","","0.02","0.0187","","","0.045","0.0456","","","","","","1.08","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217758","10.5047","0.0002","18.6297","0.0003","10.7312","0.0002","90","","109.882","0.002","90","","1974.91","0.07","295","2","295","2","","","","","","","","5","P 1 n 1","P -2yac","7","","pyridoxal-isonicotinoyl-hydrazone (μU~eq~6-oxo) -dodecakis(μU~eq~2-oxo)-hexa(oxomolybdenum) acetone solvate (1/3)","","- C23 H34 Mo6 N4 O25 -","- C23 H34 Mo6 N4 O25 -","- C46 H68 Mo12 N8 O50 -","2","1","","Pisk, Jana; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Jednačak, Tomislav; Novak, Predrag; Agustin, Dominique; Vrdoljak, Visnja","Pyridoxal hydrazonato molybdenum(VI) complexes: Assembly, Structure and Epoxidation (Pre)Catalyst testing under solvent-free conditions","RSC Advances","2014","","","","","10.1039/C4RA08179J","","","0.71073","MoKα","","0.0262","0.0236","","","0.058","0.0586","","","","","","1.076","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217759","8.537","0.004","13.573","0.005","12.29","0.005","90","","90.66","0.04","90","","1424","1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl) methylene)benzohydrazide","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","1","","Pisk, Jana; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Jednačak, Tomislav; Novak, Predrag; Agustin, Dominique; Vrdoljak, Visnja","Pyridoxal hydrazonato molybdenum(VI) complexes: Assembly, Structure and Epoxidation (Pre)Catalyst testing under solvent-free conditions","RSC Advances","2014","","","","","10.1039/C4RA08179J","","","0.71073","MoKα","","0.0897","0.0464","","","0.1112","0.1231","","","","","","0.845","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217760","7.7","0.006","8.392","0.005","13.071","0.007","99.59","0.05","99.5","0.06","93.09","0.06","818.5","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","methanol(pyridoxal-isonicotinoyl -hydrazone- N,O,O)-dioxa-molybdenum(VI)","","- C15 H16 Mo N4 O6 -","- C15 H16 Mo N4 O6 -","- C30 H32 Mo2 N8 O12 -","2","1","","Pisk, Jana; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Jednačak, Tomislav; Novak, Predrag; Agustin, Dominique; Vrdoljak, Visnja","Pyridoxal hydrazonato molybdenum(VI) complexes: Assembly, Structure and Epoxidation (Pre)Catalyst testing under solvent-free conditions","RSC Advances","2014","","","","","10.1039/C4RA08179J","","","0.71073","MoKα","","0.035","0.0279","","","0.0624","0.0637","","","","","","1.102","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217761","7.7727","0.0005","8.4948","0.0004","13.2876","0.0008","102.209","0.005","100.582","0.005","95.244","0.005","835.14","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","cis-(N-((3-oxy)-5-(hydroxymethyl)-2-methylpyridin -4-yl)methylene)benzhydrazonato- methanol-dioxo-molybdenum(VI)","","- C16 H17 Mo N3 O6 -","- C16 H17 Mo N3 O6 -","- C32 H34 Mo2 N6 O12 -","2","1","","Pisk, Jana; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Jednačak, Tomislav; Novak, Predrag; Agustin, Dominique; Vrdoljak, Visnja","Pyridoxal hydrazonato molybdenum(VI) complexes: Assembly, Structure and Epoxidation (Pre)Catalyst testing under solvent-free conditions","RSC Advances","2014","","","","","10.1039/C4RA08179J","","","0.71073","MoKα","","0.0328","0.0272","","","0.0735","0.0758","","","","","","1.031","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217762","7.8373","0.0005","9.3588","0.0004","13.025","0.003","92.297","0.008","103.058","0.005","95.262","0.005","924.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","cis-(N-((3-oxy)-5-(hydroxymethyl)-2 -methylpyridin-4-yl)methylene)-4- hydroxylbenzhydrazonato-methanol- dioxo-molybdenum(VI) methanol solvate","","- C17 H21 Mo N3 O8 -","- C17 H21 Mo N3 O8 -","- C34 H42 Mo2 N6 O16 -","2","1","","Pisk, Jana; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Jednačak, Tomislav; Novak, Predrag; Agustin, Dominique; Vrdoljak, Visnja","Pyridoxal hydrazonato molybdenum(VI) complexes: Assembly, Structure and Epoxidation (Pre)Catalyst testing under solvent-free conditions","RSC Advances","2014","","","","","10.1039/C4RA08179J","","","0.71073","MoKα","","0.022","0.0198","","","0.0509","0.0515","","","","","","1.079","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217763","26.846","0.005","27.178","0.005","9.766","0.002","90","","90","","90","","7125","2","100","2","100","2","","","","","","","","5","P m m n","-P 2ab 2a","59","","","","- C63 H67 N6 O20 Zn3 -","- C54 H42 N3 O17 Zn3 -","- C216 H168 N12 O68 Zn12 -","4","","","Konstas, Kristina; Taupitz, Kim F.; Turner, David R.; Kennedy, Danielle F.; Hill, Matthew R.","A new family of zinc metal‒organic framework polymorphs containing anthracene tetracarboxylates","CrystEngComm","2014","16","38","8937","","10.1039/C4CE00385C","","","0.71073","Synchrotron","","0.2225","0.1213","","","0.3507","0.3981","","","","","","1.204","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217764","18.5127","0.0003","18.5127","0.0003","78.4908","0.0018","90","","90","","120","","23296.4","0.8","123","2","123","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C52 H68 N7.33 O16.67 Zn2 -","- C34.0004 H14 N1.33327 O10.6666 Zn2 -","- C612.007 H252 N23.9988 O191.999 Zn36 -","18","0.5","","Konstas, Kristina; Taupitz, Kim F.; Turner, David R.; Kennedy, Danielle F.; Hill, Matthew R.","A new family of zinc metal‒organic framework polymorphs containing anthracene tetracarboxylates","CrystEngComm","2014","16","38","8937","","10.1039/C4CE00385C","","","1.5418","CuKα","","0.1045","0.0922","","","0.216","0.2281","","","","","","1.028","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217765","27.063","0.009","27.063","0.009","16.107","0.003","90","","90","","120","","10216","5","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C34.5 H28.5 N1.5 O11.5 Zn2 -","- C30 H14 O10 Zn2 -","- C270 H126 O90 Zn18 -","9","0.25","","Konstas, Kristina; Taupitz, Kim F.; Turner, David R.; Kennedy, Danielle F.; Hill, Matthew R.","A new family of zinc metal‒organic framework polymorphs containing anthracene tetracarboxylates","CrystEngComm","2014","16","38","8937","","10.1039/C4CE00385C","","","0.71073","Synchrotron","","0.0746","0.069","","","0.192","0.1954","","","","","","1.177","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217766","11.879","0.005","13.771","0.005","15.511","0.006","99.018","0.005","108.092","0.005","90.316","0.003","2378.1","1.6","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H56 N4 O6 -","- C58 H56 N4 O6 -","- C116 H112 N8 O12 -","2","1","","ITO, AKIHIRO; Matsumoto, Takashi; Tanaka, Kazuyoshi; Sakamaki, Daisuke","Electronic structure of tetraaza[1.1.1.1]o,p,o,p-cyclophane and its oxidized states","RSC Advances","2014","","","","","10.1039/C4RA06065B","","","0.71075","MoKα","","","0.0772","","","","0.224","","","","","","1.085","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217767","9.2033","0.0005","20.5226","0.001","15.6347","0.0012","90","","92.68","0.006","90","","2949.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cu N5 Nd O14 -","- C22 H28 Cu N5 Nd O14 -","- C88 H112 Cu4 N20 Nd4 O56 -","4","1","","Sen, Kamalika; Saha, Sandip; Chakraborty, Patha Pratim; Dey, Debarati; Jana, Atish Dipankar; Scollmeyer, Dieter; Granda, Santiago Garcia","Unexplored Analytics of Some Novel 3d-4f Heterometallic Schiff Base Complexes","RSC Advances","2014","","","","","10.1039/C4RA04531A","","","1.54184","CuKα","","0.1192","0.0615","","","0.0998","0.1224","","","","","","0.998","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217768","9.0452","0.0006","21.2587","0.0014","14.5234","0.0014","90","","91.628","0.008","90","","2791.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Cu N5 O14 Sm -","- C21 H26 Cu N5 O14 Sm -","- C84 H104 Cu4 N20 O56 Sm4 -","4","1","","Sen, Kamalika; Saha, Sandip; Chakraborty, Patha Pratim; Dey, Debarati; Jana, Atish Dipankar; Scollmeyer, Dieter; Granda, Santiago Garcia","Unexplored Analytics of Some Novel 3d-4f Heterometallic Schiff Base Complexes","RSC Advances","2014","","","","","10.1039/C4RA04531A","","","1.54184","CuKα","","0.167","0.0796","","","0.1321","0.1718","","","","","","0.993","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217769","9.1341","0.0008","21.0076","0.0012","14.4523","0.0014","90","","94.088","0.007","90","","2766.1","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 Cu N5 O14 Pr -","- C21 H24 Cu N5 O14.65 Pr -","- C84 H96 Cu4 N20 O58.6 Pr4 -","4","1","","Sen, Kamalika; Saha, Sandip; Chakraborty, Patha Pratim; Dey, Debarati; Jana, Atish Dipankar; Scollmeyer, Dieter; Granda, Santiago Garcia","Unexplored Analytics of Some Novel 3d-4f Heterometallic Schiff Base Complexes","RSC Advances","2014","","","","","10.1039/C4RA04531A","","","0.71073","MoKα","","0.131","0.0806","","","0.2017","0.2379","","","","","","1.032","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217770","13.852","0.004","13.852","0.004","6.4216","0.0017","90","","90","","90","","1232.2","0.6","173","2","173","2","","","","","","","","4","P 4/m c c","-P 4 2c","124","lithium phthalocyanine","lithium phthalocyanine","","- C32 H16 Li N8 -","- C32 H16 Li N8 -","- C64 H32 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0483","0.0426","","","0.1054","0.1089","","","","","","1.094","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217771","13.843","0.0009","13.843","0.0009","6.4156","0.0006","90","","90","","90","","1229.41","0.16","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.11 Li N8 -","- C32 H16 Cl0.11 Li N8 -","- C64 H32 Cl0.22 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.07","0.0552","","","0.1138","0.1206","","","","","","1.12","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217772","13.829","0.005","13.829","0.005","6.406","0.002","90","","90","","90","","1225.1","0.7","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.2 Li N8 -","- C32 H16 Cl0.2 Li N8 -","- C64 H32 Cl0.4 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0624","0.0502","","","0.1129","0.1195","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217773","13.864","0.006","13.864","0.006","6.414","0.003","90","","90","","90","","1232.8","0.9","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.21 Li N8 -","- C32 H16 Cl0.21 Li N8 -","- C64 H32 Cl0.42 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0866","0.074","","","0.1988","0.2126","","","","","","1.138","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217774","13.841","0.004","13.841","0.004","6.4027","0.0018","90","","90","","90","","1226.6","0.6","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.24 Li N8 -","- C32 H16 Cl0.24 Li N8 -","- C64 H32 Cl0.48 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0567","0.0471","","","0.1081","0.114","","","","","","1.106","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217775","13.843","0.004","13.843","0.004","6.394","0.002","90","","90","","90","","1225.3","0.6","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.38 Li N8 -","- C32 H16 Cl0.38 Li N8 -","- C64 H32 Cl0.76 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0638","0.0553","","","0.1542","0.1611","","","","","","1.138","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217776","13.8605","0.0007","13.8605","0.0007","6.3917","0.0005","90","","90","","90","","1227.93","0.13","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.46 Li N8 -","- C32 H16 Cl0.46 Li N8 -","- C64 H32 Cl0.92 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0588","0.0505","","","0.1419","0.1477","","","","","","1.124","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217777","5.6421","0.0002","28.9519","0.0013","7.8627","0.0003","90","","95.521","0.002","90","","1278.41","0.09","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","calciumMOF","","","- C14 H10 Ca O6 -","- C14 H10 Ca O6 -","- C56 H40 Ca4 O24 -","4","1","","Rao, Purna Chandra; K. S, Asha; Mandal, Sukhendu","Synthesis, structure and band gap energy of a series of thermostable alkaline earth metal based metal‒organic frameworks","CrystEngComm","2014","16","39","9320","","10.1039/C4CE01505C","","","0.71073","MoKα","","0.0384","0.0313","","","0.089","0.1035","","","","","","1.138","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217778","29.3416","0.0018","6.3038","0.0004","7.0814","0.0004","90","","90","","90","","1309.8","0.14","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","StrontiumMOF","","","- C14 H10 O6 Sr -","- C14 H10 O6 Sr -","- C56 H40 O24 Sr4 -","4","1","","Rao, Purna Chandra; K. S, Asha; Mandal, Sukhendu","Synthesis, structure and band gap energy of a series of thermostable alkaline earth metal based metal‒organic frameworks","CrystEngComm","2014","16","39","9320","","10.1039/C4CE01505C","","","0.71073","MoKα","","0.0422","0.0297","","","0.0809","0.111","","","","","","1.146","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217779","11.2447","0.0002","8.0932","0.0001","30.0999","0.0005","90","","90","","90","","2739.26","0.07","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","BariumMOF","","","- C28 H16 Ba2 O13 -","- C28 H16 Ba2 O13 -","- C112 H64 Ba8 O52 -","4","1","","Rao, Purna Chandra; K. S, Asha; Mandal, Sukhendu","Synthesis, structure and band gap energy of a series of thermostable alkaline earth metal based metal‒organic frameworks","CrystEngComm","2014","16","39","9320","","10.1039/C4CE01505C","","","0.71073","MoKα","","0.0219","0.0174","","","0.0555","0.0811","","","","","","1.37","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217780","14.0847","0.0004","5.9953","0.0002","19.3347","0.0006","90","","93.729","0.002","90","","1629.2","0.09","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O7.5 S Zn1.5 -","- C15 H12 O7.5 S Zn1.5 -","- C60 H48 O30 S4 Zn6 -","4","1","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.0508","0.0459","","","0.1146","0.1167","","","","","","1.147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217781","14.1168","0.0002","6.0531","0.0001","19.3678","0.0003","90","","93.627","0.001","90","","1651.67","0.04","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 O14 S2 Zn3 -","- C28 H18 O14 S2 Zn3 -","- C56 H36 O28 S4 Zn6 -","2","0.5","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.047","0.0301","","","0.0669","0.0731","","","","","","1.054","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217782","28.1637","0.0009","6.4411","0.0002","24.8679","0.0008","90","","115.445","0.002","90","","4073.6","0.2","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H74 Mg6 O43 S4 -","- C60 H74 Mg6 O43 S4 -","- C120 H148 Mg12 O86 S8 -","2","0.5","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.1118","0.0541","","","0.1468","0.1672","","","","","","1.037","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217783","10.161","0.0005","7.3197","0.0003","22.3295","0.001","90","","93.699","0.001","90","","1657.31","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Mn O7 S -","- C16 H13 Mn O7 S -","- C64 H52 Mn4 O28 S4 -","4","1","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.063","0.0572","","","0.1548","0.1573","","","","","","1.165","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217784","5.998","0.0002","11.8959","0.0004","13.0287","0.0007","112.118","0.003","102.502","0.003","99.816","0.002","807.5","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Mn O7 S -","- C14 H10 Mn O7 S -","- C28 H20 Mn2 O14 S2 -","2","1","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.0601","0.0492","","","0.1241","0.1282","","","","","","1.082","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217785","5.951","0.0019","15.899","0.005","21.4","0.016","90","","90","","90","","2024.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ezetimibe","Ezetimibe","","- C24 H21 F2 N O3 -","- C24 H21 F2 N O3 -","- C96 H84 F8 N4 O12 -","4","1","","Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.","New cocrystals of ezetimibe withl-proline and imidazole","CrystEngComm","2014","16","38","8984","","10.1039/C4CE01127A","","","0.71073","MoKα","","0.1171","0.0561","","","0.1549","0.2013","","","","","","1.061","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217786","5.832","0.0002","15.752","0.0005","25.673","0.0013","90","","90","","90","","2358.47","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ezetimibe-Imidazole","","","- C27 H25 F2 N3 O3 -","- C27 H25 F2 N3 O3 -","- C108 H100 F8 N12 O12 -","4","1","","Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.","New cocrystals of ezetimibe withl-proline and imidazole","CrystEngComm","2014","16","38","8984","","10.1039/C4CE01127A","","","0.71073","MoKα","","0.095","0.06","","","0.1678","0.1994","","","","","","1.046","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217787","6.14","0.0002","17.077","0.0007","21.35","0.0012","90","","90","","90","","2238.61","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ezetimibe-Formamide","Ezetimibe-Formamide","","- C25 H24 F2 N2 O4 -","- C25 H24 F2 N2 O4 -","- C100 H96 F8 N8 O16 -","4","1","","Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.","New cocrystals of ezetimibe withl-proline and imidazole","CrystEngComm","2014","16","38","8984","","10.1039/C4CE01127A","","","0.71073","MoKα","","0.0986","0.0551","","","0.1341","0.1599","","","","","","1.148","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217788","31.2188","0.0014","17.1001","0.0007","23.3745","0.001","90","","90.371","0.001","90","","12478.1","0.9","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C130 H138 Au8 N2 O12 P8 -","- C130 H138 Au8 N2 O12 P8 -","- C520 H552 Au32 N8 O48 P32 -","4","0.5","","Zhang, Xiao-jing; Li, Jian-qiang; Liu, Shu-juan; Luo, Ming-biao; Feng, Xue-feng; Luo, Feng","An unprecedented (3, 6)-connected net featuring tcj-3,6-P21/c topology","RSC Advances","2014","4","68","36282","","10.1039/C4RA05134C","","","0.71073","MoKα","","0.0459","0.0319","","","0.0881","0.1042","","","","","","1.141","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217789","11.637","0.003","14.143","0.003","15.12","0.003","90","","98.149","0.005","90","","2463.4","1","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H39 Cl Ge N9 Pr S3 -","- C12 H39 Cl Ge N9 Pr S3 -","- C48 H156 Cl4 Ge4 N36 Pr4 S12 -","4","1","","Zhao, Rongqing; Zhou, Jian; Liu, Xing; Zhang, Li; Tang, Qiuling; Tan, XiaoFeng","Solvothermal syntheses of lanthanide thiogermanates displaying three new structural moieties","RSC Advances","2014","","","","","10.1039/C4RA07812H","","","0.71073","MoKα","","0.0279","0.0235","","","0.0546","0.057","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217790","11.532","0.003","14.423","0.004","14.573","0.004","90","","97.105","0.005","90","","2405.3","1.1","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H39 Cl Ge N9 S3 Sm -","- C12 H39 Cl Ge N9 S3 Sm -","- C48 H156 Cl4 Ge4 N36 S12 Sm4 -","4","1","","Zhao, Rongqing; Zhou, Jian; Liu, Xing; Zhang, Li; Tang, Qiuling; Tan, XiaoFeng","Solvothermal syntheses of lanthanide thiogermanates displaying three new structural moieties","RSC Advances","2014","","","","","10.1039/C4RA07812H","","","0.71073","MoKα","","0.0274","0.0245","","","0.0647","0.0667","","","","","","1.073","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217791","11.5484","0.0014","14.6767","0.0017","14.4271","0.0017","90","","96.332","0.002","90","","2430.4","0.5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H39 Cl Gd Ge N9 S3 -","- C12 H39 Cl Gd Ge N9 S3 -","- C48 H156 Cl4 Gd4 Ge4 N36 S12 -","4","1","","Zhao, Rongqing; Zhou, Jian; Liu, Xing; Zhang, Li; Tang, Qiuling; Tan, XiaoFeng","Solvothermal syntheses of lanthanide thiogermanates displaying three new structural moieties","RSC Advances","2014","","","","","10.1039/C4RA07812H","","","0.71073","MoKα","","0.0247","0.0213","","","0.0588","0.064","","","","","","1.145","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217792","11.5035","0.0011","14.6453","0.0014","14.3396","0.0013","90","","96.178","0.002","90","","2401.8","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H39 Cl Dy Ge N9 S3 -","- C12 H39 Cl Dy Ge N9 S3 -","- C48 H156 Cl4 Dy4 Ge4 N36 S12 -","4","1","","Zhao, Rongqing; Zhou, Jian; Liu, Xing; Zhang, Li; Tang, Qiuling; Tan, XiaoFeng","Solvothermal syntheses of lanthanide thiogermanates displaying three new structural moieties","RSC Advances","2014","","","","","10.1039/C4RA07812H","","","0.71073","MoKα","","0.0615","0.0573","","","0.1476","0.1568","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217793","11.71","0.002","11.318","0.002","13.548","0.002","90","","97.635","0.003","90","","1779.6","0.5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H54 Er2 Ge2 N12 O2 S6 -","- C16 H54 Er2 Ge2 N12 O2 S6 -","- C32 H108 Er4 Ge4 N24 O4 S12 -","2","0.5","","Zhao, Rongqing; Zhou, Jian; Liu, Xing; Zhang, Li; Tang, Qiuling; Tan, XiaoFeng","Solvothermal syntheses of lanthanide thiogermanates displaying three new structural moieties","RSC Advances","2014","","","","","10.1039/C4RA07812H","","","0.71073","MoKα","","0.0184","0.0171","","","0.0413","0.0418","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217794","8.4553","0.0001","19.4162","0.0002","25.3236","0.0002","90","","90","","90","","4157.37","0.07","155.5","","155.5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-epi-2-hydroxyacorenone","","","- C15 H24 O2 -","- C15 H24 O2 -","- C180 H288 O24 -","12","3","","Feng, Xiao-lin; Yu, Yang; Gao, Hao; Mu, Zhen-qiang; Cheng, Xiao-rui; Zhou, Wen-xia; Yao, Xin-sheng","New sesquiterpenoids from the rhizomes of Acorus tatarinowii","RSC Advances","2014","","","","","10.1039/C4RA06481J","","","1.54178","CuKα","","0.0297","0.0289","","","0.0749","0.0756","","","","","","1.047","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7217795","8.5501","0.0002","6.4813","0.0001","12.5837","0.0003","90","","108.159","0.002","90","","662.6","0.03","173.01","0.18","173.01","0.18","","","","","","","","3","P 1 21 1","P 2yb","4","acoronene","","","- C15 H22 O2 -","- C15 H22 O2 -","- C30 H44 O4 -","2","1","","Feng, Xiao-lin; Yu, Yang; Gao, Hao; Mu, Zhen-qiang; Cheng, Xiao-rui; Zhou, Wen-xia; Yao, Xin-sheng","New sesquiterpenoids from the rhizomes of Acorus tatarinowii","RSC Advances","2014","","","","","10.1039/C4RA06481J","","","1.54178","CuKα","","0.0256","0.0254","","","0.0629","0.063","","","","","","1.074","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217796","6.6657","0.0012","8.9418","0.0016","19.201","0.004","87.395","0.003","87.173","0.004","88.605","0.004","1141.6","0.4","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 N3 O3 -","- C27 H29 N3 O3 -","- C54 H58 N6 O6 -","2","1","","Yu, Fang; Wang, Yan; Zhu, Wencheng; Huang, Yan; Yang, Minghui; Ai, Hua; Lu, Zhiyun","A novel fluorescent pH probe with valuable pKabased on a twisted intramolecular charge transfer mechanism, and its applications in cell imaging","RSC Advances","2014","4","69","36849","","10.1039/C4RA06834C","","","0.71073","MoKα","","0.1325","0.0703","","","0.1944","0.2464","","","","","","1.071","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217797","8.8785","0.0007","17.4501","0.0014","13.1922","0.0011","90","","101.292","0.002","90","","2004.3","0.3","293","2","293","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C16 H54 Cl F3 Ge7 N12 Ni2 O15 -","- C16 H54 Cl F3 Ge7 N12 Ni2 O15 -","- C32 H108 Cl2 F6 Ge14 N24 Ni4 O30 -","2","0.5","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0806","0.041","","","0.0687","0.0894","","","","","","1.032","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217798","8.829","0.003","16.632","0.005","20.933","0.006","90","","96.992","0.006","90","","3051","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H38 F2 Ge7 N7 Ni O15.5 -","- C11 H33 F2 Ge7 N7 Ni O15.5 -","- C44 H132 F8 Ge28 N28 Ni4 O62 -","4","1","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0947","0.0474","","","0.1007","0.1142","","","","","","0.9","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217799","8.8029","0.0018","16.671","0.003","21.293","0.004","90","","101.21","0.03","90","","3065.2","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H36 F2 Ge7 N7 Ni O16 -","- C11 H32 F2 Ge7 N7 Ni O16 -","- C44 H128 F8 Ge28 N28 Ni4 O64 -","4","1","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0955","0.0688","","","0.1765","0.1974","","","","","","1.173","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217800","8.8089","0.0018","22.436","0.005","31.193","0.006","90","","90","","90","","6165","2","293","2","293","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C22 H72 F6 Ge14 N14 Ni2 O31 -","- C18 H56 F6 Ge14 N12 Ni2 O29 -","- C72 H224 F24 Ge56 N48 Ni8 O116 -","4","0.5","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0355","0.0296","","","0.0774","0.0796","","","","","","1.064","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217801","5.5526","0.0011","10.809","0.002","16.095","0.003","93.298","0.01","91.208","0.009","98.123","0.01","954.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C42 H42 N6 O6 -","2","1","","Paul, Anup; Gupta, Rakesh Kumar; Dubey, Mrigendra; Sharma, Gunjan; Koch, Biplob; Hundal, Geeta; Hundal, Maninder Singh; Pandey, Shankar","Potential apoptosis inducing agents based on a new benzimidazole Schiff base ligand and its dicopper(II) complex","RSC Advances","2014","","","","","10.1039/C4RA08680E","","","0.71073","MoKα","","0.1265","0.0535","","","0.1306","0.1657","","","","","","0.93","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217802","10.265","0.002","10.433","0.002","17.873","0.004","90","","94.202","0.011","90","","1909","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 Cu2 N8 O8 -","- C42 H32 Cu2 N8 O8 -","- C84 H64 Cu4 N16 O16 -","2","0.5","","Paul, Anup; Gupta, Rakesh Kumar; Dubey, Mrigendra; Sharma, Gunjan; Koch, Biplob; Hundal, Geeta; Hundal, Maninder Singh; Pandey, Shankar","Potential apoptosis inducing agents based on a new benzimidazole Schiff base ligand and its dicopper(II) complex","RSC Advances","2014","","","","","10.1039/C4RA08680E","","","0.71073","MoKα","","0.1045","0.0477","","","0.0943","0.114","","","","","","0.99","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217803","8.9979","0.0009","14.5904","0.0014","13.4092","0.0013","90","","113.863","0.006","90","","1609.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cd N4 O4 -","- C13 H18 Cd N4 O4 -","- C52 H72 Cd4 N16 O16 -","4","1","","Xue, Chen; Xu, Heng; Huang, Rong-Yi; Ren, Xiao-Ming","Mutual transformation between crystalline phases and dielectric properties of coordination polymers with the formula [Cd(N-methylimidazole)2(H2O)x(glutarate)]·nH2O (x = 0 or 1; n = or 4)","CrystEngComm","2014","16","42","9857","","10.1039/C4CE00997E","","","0.71073","MoKα","","0.0539","0.0466","","","0.1319","0.1379","","","","","","1.049","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217804","16.9674","0.0017","14.2074","0.0014","8.7538","0.0008","90","","90","","90","","2110.2","0.4","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C13 H28 Cd N4 O9 -","- C13 H28 Cd N4 O9 -","- C52 H112 Cd4 N16 O36 -","4","0.5","","Xue, Chen; Xu, Heng; Huang, Rong-Yi; Ren, Xiao-Ming","Mutual transformation between crystalline phases and dielectric properties of coordination polymers with the formula [Cd(N-methylimidazole)2(H2O)x(glutarate)]·nH2O (x = 0 or 1; n = or 4)","CrystEngComm","2014","16","42","9857","","10.1039/C4CE00997E","","","0.71073","MoKα","","0.0428","0.0268","","","0.0617","0.068","","","","","","1.041","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217805","16.477","0.003","6.8521","0.0011","14.56","0.003","90","","101.789","0.002","90","","1609.2","0.5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N6 O13 Pr -","- C8 H13 N6 O13 Pr -","- C32 H52 N24 O52 Pr4 -","4","1","","Zhang, Xiaoping; Xu, Na; Zhang, Shiyuan; Zhao, Xiao-Qing; Cheng, Peng","From 1D Zigzag Chains to 3D Chiral Frameworks: Synthesis and Properties of Praseodymium(III) and Neodymium(III) Coordination Polymers","RSC Advances","2014","","","","","10.1039/C4RA06629D","","","0.71073","MoKα","","0.0378","0.0304","","","0.0716","0.0758","","","","","","1.046","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217806","16.4141","0.0018","6.8343","0.0007","14.5433","0.0016","90","","101.808","0.002","90","","1596.9","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N6 Nd O13 -","- C8 H13 N6 Nd O13 -","- C32 H52 N24 Nd4 O52 -","4","1","","Zhang, Xiaoping; Xu, Na; Zhang, Shiyuan; Zhao, Xiao-Qing; Cheng, Peng","From 1D Zigzag Chains to 3D Chiral Frameworks: Synthesis and Properties of Praseodymium(III) and Neodymium(III) Coordination Polymers","RSC Advances","2014","","","","","10.1039/C4RA06629D","","","0.71073","MoKα","","0.0261","0.0212","","","0.05","0.0521","","","","","","1.037","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217807","8.8263","0.0012","8.8263","0.0012","9.91","0.002","90","","90","","120","","668.59","0.19","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C4 H7 N3 O7.5 Pr -","- C4 N3 O7.53 Pr -","- C12 N9 O22.59 Pr3 -","3","0.5","","Zhang, Xiaoping; Xu, Na; Zhang, Shiyuan; Zhao, Xiao-Qing; Cheng, Peng","From 1D Zigzag Chains to 3D Chiral Frameworks: Synthesis and Properties of Praseodymium(III) and Neodymium(III) Coordination Polymers","RSC Advances","2014","","","","","10.1039/C4RA06629D","","","0.71073","MoKα","","0.0151","0.015","","","0.0372","0.0373","","","","","","1.2","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217808","8.7561","0.0012","8.7561","0.0012","9.855","0.002","90","","90","","120","","654.35","0.18","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C4 H7 N3 Nd O7.5 -","- C4 N3 Nd O7.54 -","- C12 N9 Nd3 O22.62 -","3","0.5","","Zhang, Xiaoping; Xu, Na; Zhang, Shiyuan; Zhao, Xiao-Qing; Cheng, Peng","From 1D Zigzag Chains to 3D Chiral Frameworks: Synthesis and Properties of Praseodymium(III) and Neodymium(III) Coordination Polymers","RSC Advances","2014","","","","","10.1039/C4RA06629D","","","0.71075","MoKα","","0.0186","0.018","","","0.0452","0.0455","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217809","21.2969","0.0015","26.3582","0.0019","8.7744","0.0006","90","","90","","90","","4925.5","0.6","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H21 Br Cd N4 O4 -","- C20 H21 Br Cd N4 O4 -","- C160 H168 Br8 Cd8 N32 O32 -","8","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0708","0.0438","","","0.1058","0.1146","","","","","","1.009","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217810","9.449","0.003","10.386","0.004","17.553","0.006","76.519","0.008","89.167","0.007","79.774","0.008","1647.9","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H27 Br2 Cd2 N4 O9 -","- C29 H27 Br2 Cd2 N4 O9 -","- C58 H54 Br4 Cd4 N8 O18 -","2","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.1435","0.0728","","","0.1011","0.1255","","","","","","1","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217811","8.7933","0.0007","17.7457","0.0016","14.8568","0.0012","90","","90","","90","","2318.3","0.3","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H21 Br Cd N4 O4 -","- C20 H21 Br Cd N4 O4 -","- C80 H84 Br4 Cd4 N16 O16 -","4","0.5","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0498","0.029","","","0.063","0.0706","","","","","","1.005","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217812","17.051","0.002","11.4036","0.0014","19.722","0.002","90","","109.91","0.002","90","","3605.6","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Br Cd N2 O7 -","- C14 H18 Br Cd N2 O7 -","- C112 H144 Br8 Cd8 N16 O56 -","8","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0964","0.0613","","","0.1102","0.1259","","","","","","1.02","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217813","8.3536","0.0009","10.0782","0.001","11.2967","0.0012","74.969","0.002","74.612","0.002","68.425","0.001","838.73","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Br Cd N2 O5 -","- C14 H14 Br Cd N2 O5 -","- C28 H28 Br2 Cd2 N4 O10 -","2","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0325","0.0293","","","0.1029","0.1104","","","","","","0.878","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217814","11.5488","0.0019","5.326","0.0009","23.007","0.004","90","","100.302","0.003","90","","1392.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H16 O20 Zn -","- C32 H16 O20 Zn -","- C64 H32 O40 Zn2 -","2","1","","Singh, Ruchi; Afzal, Mohd.; ZAKI, MEHVASH afzal.analytical@gmail.com; Ahmad, Musheer; Tabassum, Sartaj","Synthesis, structure elucidation and DFT studies of a new coumarin derived Zn(II) complex: In vitro DNA/HSA binding profile and pBR322 DNA cleavage pathway","RSC Advances","2014","","","","","10.1039/C4RA05637J","","","0.71073","MoKα","","0.053","0.048","","","0.1161","0.1206","","","","","","1.064","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217815","10.0302","0.0019","14.195","0.003","15.533","0.003","79.16","0.002","75.233","0.002","77.829","0.002","2069.2","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","2,5-bis(hexyloxy)-1,4-phenylene-bis(1,3-diphenylfulvene) dimer","","","- C54 H54 O2 -","- C54 H54 O2 -","- C108 H108 O4 -","2","1","","Shurdha, Endrit; Repasy, Brianne K.; Miller, Hannah A.; Dees, Kelsey; Iacono, Scott Thomas; Ball, David W.; Balaich, Gary James","Symmetrical Bis(fulvene) Chromophores: Model Compounds for Acceptor-Donor-Acceptor Dye Architectures","RSC Advances","2014","","","","","10.1039/C4RA07738E","","","0.71073","MoKα","","0.0825","0.0505","","","0.1198","0.1389","","","","","","1.022","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217816","25.6565","0.0006","12.4636","0.0003","21.2198","0.0006","90","","105.91","0.002","90","","6525.6","0.3","277","2","277","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H54 Cd2 N8 O15 -","- C78 H48 Cd2 N8 O12 -","- C312 H192 Cd8 N32 O48 -","4","0.5","","Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate","CrystEngComm","2014","16","43","10006","","10.1039/C4CE01225A","","","0.71073","MoKα","","0.0785","0.044","","","0.0867","0.0964","","","","","","0.985","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217817","7.4683","0.0001","9.9602","0.0002","15.8627","0.0003","81.11","0.001","88.078","0.001","69.099","0.001","1088.78","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H40 Cu2 N4 O16 -","- C50 H40 Cu2 N4 O16 -","- C50 H40 Cu2 N4 O16 -","1","0.5","","Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate","CrystEngComm","2014","16","43","10006","","10.1039/C4CE01225A","","","0.71073","MoKα","","0.0395","0.0319","","","0.0835","0.0876","","","","","","1.034","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217818","9.5251","0.0006","9.8837","0.0006","16.3942","0.0011","72.834","0.004","87.431","0.004","71.093","0.004","1392.88","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N3 Ni O9 -","- C30 H26 N3 Ni O9 -","- C60 H52 N6 Ni2 O18 -","2","1","","Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate","CrystEngComm","2014","16","43","10006","","10.1039/C4CE01225A","","","0.71073","MoKα","","0.0566","0.0388","","","0.0936","0.1062","","","","","","1.062","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217819","9.3553","0.0002","24.7637","0.0004","11.6174","0.0002","90","","113.411","0.001","90","","2469.86","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H42 Mn3 N6 O14 -","- C60 H42 Mn3 N6 O14 -","- C120 H84 Mn6 N12 O28 -","2","0.5","","Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate","CrystEngComm","2014","16","43","10006","","10.1039/C4CE01225A","","","0.71073","MoKα","","0.0513","0.0344","","","0.0814","0.0881","","","","","","1.047","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217820","7.038","0.004","15.257","0.008","17.946","0.01","90","","90","","90","","1927","1.8","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Br3 Cd N -","- C5 H6 Br3 Cd N -","- C40 H48 Br24 Cd8 N8 -","8","1","","Jin, Jing; Jin, Lei; Su, En-Ben","Temperature-induced isosymmetric reversible structural phase transition in catena-[pyridinium tris(μ2-bromo)-cadmium(ii)]","CrystEngComm","2014","16","39","9284","","10.1039/C4CE00799A","","","0.71073","MoKα","","0.0932","0.0762","","","0.1745","0.1847","","","","","","0.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217821","7.6903","0.0015","18.058","0.004","7.1118","0.0014","90","","90","","90","","987.6","0.4","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H6 Br3 Cd N -","- C5 H6 Br3 Cd N -","- C20 H24 Br12 Cd4 N4 -","4","0.25","","Jin, Jing; Jin, Lei; Su, En-Ben","Temperature-induced isosymmetric reversible structural phase transition in catena-[pyridinium tris(μ2-bromo)-cadmium(ii)]","CrystEngComm","2014","16","39","9284","","10.1039/C4CE00799A","","","0.71073","MoKα","","0.0358","0.0283","","","0.061","0.063","","","","","","1.164","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217822","7.864","0.004","8.054","0.004","9.893","0.005","70.04","0.05","73.31","0.05","83.69","0.05","564.1","0.5","294","2","294","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","1","1","","Senthil, K.; SIVAPERUMAN, KALAINATHAN; Kumar, A. Ruban","Effect of additives on the large size growth of 4-N, N-dimethylamino-4-N-methyl stilbazolium naphthalene-2-sulfonate (DSNS) single crystal:An efficient stilbazolium derivative NLO crystal with potential Terahertz Wave properties","CrystEngComm","2014","","","","","10.1039/C4CE01350F","","","1.54178","CuKα","","0.215","0.1299","","","0.2828","0.3389","","","","","","0.622","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217823","12.3315","0.0005","10.4554","0.0004","26.1643","0.001","90","","97.856","0.004","90","","3341.7","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cl2 N2 O Pd Se -","- C32 H41 Cl2 N2 O Pd Se -","- C128 H164 Cl8 N8 O4 Pd4 Se4 -","4","1","","Singh, Ajai kumar; Kumar, Umesh; Dubey, Pooja; Singh, Ved Vati; Prakash, Om","Sterically hindered selenoether ligands: palladium(II) complexes as catalytic activators for Suzuki-Miyaura coupling","RSC Advances","2014","","","","","10.1039/C4RA06313A","","","0.71073","MoKα","","0.0407","0.0357","","","0.0818","0.084","","","","","","1.216","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217824","10.9228","0.0004","10.0631","0.0004","43.0466","0.0017","90","","90","","90","","4731.6","0.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H30 Cl N O Pd Se -","- C23 H30 Cl N O Pd Se -","- C184 H240 Cl8 N8 O8 Pd8 Se8 -","8","1","","Singh, Ajai kumar; Kumar, Umesh; Dubey, Pooja; Singh, Ved Vati; Prakash, Om","Sterically hindered selenoether ligands: palladium(II) complexes as catalytic activators for Suzuki-Miyaura coupling","RSC Advances","2014","","","","","10.1039/C4RA06313A","","","0.71073","MoKα","","0.0558","0.0488","","","0.1014","0.104","","","","","","1.302","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217825","4.8043","0.0004","14.203","0.0011","23.1328","0.0018","90","","91.576","0.008","90","","1577.9","0.2","120","1","120","1","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C80 H80 N8 O4 -","4","1","","Karothu, Durga Prasad; Guru Row, Tayur N.","N-alkyl derivative of 1,9-pyrazoloanthrone as a sensor for picric acid","RSC Advances","2014","","","","","10.1039/C4RA06286H","","x-ray","0.71073","MoKα","","0.0777","0.0617","","","0.1913","0.2007","","","","","","1.284","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217826","20.653","0.005","24.066","0.005","26.128","0.005","90","","90","","90","","12987","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H70 Cl3 Cu4 N15 O21 -","- C48 H36 Cl3 Cu4 N15 O21 -","- C384 H288 Cl24 Cu32 N120 O168 -","8","1","","Patil, Yogesh; Nethaji, Munirathinam","Simultaneous co-ordination of three cytosine ligands displaying different binding sites around the copper centres","RSC Advances","2014","","","","","10.1039/C4RA07828D","","","0.71073","MoKα","","0.1369","0.0683","","","0.1888","0.248","","","","","","0.95","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217827","10.3041","0.0001","10.3041","0.0001","29.1806","0.0004","90","","90","","120","","2683.15","0.05","100","","100","","","","","","","","Synthesized by the authors. See text","3","P 61","P 61","169","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C150 H108 N12 -","6","1","","Kempf, Julie; Noujeim, Nadim; Schmitzer, Andreea R.","2,4,7-triphenylbenzimidazole : the monomeric unit of supramolecular helical rod-like transmembrane transporters","RSC Advances","2014","","","","","10.1039/C4RA06887D","","","1.54178","CuKα","","0.0261","0.0256","","","0.0666","0.067","","","","","","1.057","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217828","7.2022","0.0002","13.4802","0.0004","23.7766","0.0007","90","","90","","90","","2308.4","0.12","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Cl4 N2 -","- C26 H20 Cl4 N2 -","- C104 H80 Cl16 N8 -","4","1","","Kempf, Julie; Noujeim, Nadim; Schmitzer, Andreea R.","2,4,7-triphenylbenzimidazole : the monomeric unit of supramolecular helical rod-like transmembrane transporters","RSC Advances","2014","","","","","10.1039/C4RA06887D","","","1.54178","CuKα","","0.0453","0.0429","","","0.1113","0.1136","","","","","","1.058","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217829","6.2121","0.0016","9.387","0.003","32.186","0.009","90","","90","","90","","1876.9","0.9","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C88 H80 O24 -","4","1","","Basireddy, Venkata Subba Reddy; Swain, Manisha; Reddy, S. Madhusudana; Yadav, Jhillu S.; Balasubramanian, Sridhar","Asymmetric Michael/hemiketalization of 5-hydroxy-2-methyl-4H-pyran-4-one to β,γ-unsaturated α-ketoesters catalyzed by a bifunctional rosin-indane amine thiourea catalyst","RSC Advances","2014","","","","","10.1039/C4RA06938B","","","0.71073","MoKα","","0.1013","0.0955","","","0.2149","0.2185","","","","","","1.339","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217830","7.9426","0.0011","8.8414","0.0012","24.229","0.003","90","","90","","90","","1701.5","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl O6 -","- C18 H17 Cl O6 -","- C72 H68 Cl4 O24 -","4","1","","Basireddy, Venkata Subba Reddy; Swain, Manisha; Reddy, S. Madhusudana; Yadav, Jhillu S.; Balasubramanian, Sridhar","Asymmetric Michael/hemiketalization of 5-hydroxy-2-methyl-4H-pyran-4-one to β,γ-unsaturated α-ketoesters catalyzed by a bifunctional rosin-indane amine thiourea catalyst","RSC Advances","2014","","","","","10.1039/C4RA06938B","","","0.71073","MoKα","","0.0597","0.0508","","","0.1232","0.1297","","","","","","1.102","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217831","12.205","0.002","33.209","0.007","14.952","0.003","90","","94.15","0.03","90","","6044","2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94.2 H69.4 Mn5.7 N19.4 O22.8 -","- C94.2 H69.4 Mn5.7 N19.4 O22.8 -","- C188.4 H138.8 Mn11.4 N38.8 O45.6 -","2","0.5","","Liu, Jian-Jun; Wang, Yao; Wu, Shu-Ting; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wenxin","Discrete Polynuclear Manganese Nanorods: Syntheses, Crystal Structures and Magnetic Properties","RSC Advances","2014","","","","","10.1039/C4RA07015A","","","0.71073","MoKα","","0.1132","0.0924","","","0.2551","0.274","","","","","","1.098","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217832","11.879","0.002","31.352","0.006","16.426","0.003","90","","94.25","0.03","90","","6100.7","1.9","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H78 Mn5 N20 O18 -","- C98 H78 Mn5 N20 O18 -","- C196 H156 Mn10 N40 O36 -","2","0.5","","Liu, Jian-Jun; Wang, Yao; Wu, Shu-Ting; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wenxin","Discrete Polynuclear Manganese Nanorods: Syntheses, Crystal Structures and Magnetic Properties","RSC Advances","2014","","","","","10.1039/C4RA07015A","","","0.71073","MoKα","","0.0885","0.0728","","","0.1832","0.1932","","","","","","1.107","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217833","11.609","0.002","21.154","0.004","18.246","0.004","90","","100.68","0.03","90","","4403.2","1.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 Mn3 N11 O14 -","- C39 H47 Mn3 N11 O14 -","- C156 H188 Mn12 N44 O56 -","4","1","","Liu, Jian-Jun; Wang, Yao; Wu, Shu-Ting; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wenxin","Discrete Polynuclear Manganese Nanorods: Syntheses, Crystal Structures and Magnetic Properties","RSC Advances","2014","","","","","10.1039/C4RA07015A","","","0.71073","MoKα","","0.0737","0.0639","","","0.1147","0.1186","","","","","","1.22","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217834","11.7294","0.0009","17.9283","0.0013","32.527","0.002","90","","96.017","0.002","90","","6802.4","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H53 Cl2 In N3 O -","- C32 H53 Cl2 In N3 O -","- C256 H424 Cl16 In8 N24 O8 -","8","2","","Piskunov, Alexandr Vladimirovich; Meshcheryakova, Irina N.; Ershova, Irina V.; Bogomyakov, Artem Stepanovich; Cherkasov, Anton; Fukin, Georgii K.","The reactivity of o-amidophenolate indium(III) complexes towards different oxidants","RSC Advances","2014","","","","","10.1039/C4RA05408C","","","0.71073","MoKα","","0.0984","0.0647","","","0.1331","0.1432","","","","","","1.073","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217835","11.8378","0.0008","13.5406","0.0009","17.8321","0.0011","101.532","0.001","92.074","0.001","99.227","0.001","2757.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H80 In N3 O2 S2 -","- C55 H80 In N3 O2 S2 -","- C110 H160 In2 N6 O4 S4 -","2","1","","Piskunov, Alexandr Vladimirovich; Meshcheryakova, Irina N.; Ershova, Irina V.; Bogomyakov, Artem Stepanovich; Cherkasov, Anton; Fukin, Georgii K.","The reactivity of o-amidophenolate indium(III) complexes towards different oxidants","RSC Advances","2014","","","","","10.1039/C4RA05408C","","","0.71073","MoKα","","0.0385","0.0315","","","0.0772","0.0801","","","","","","1.073","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217836","20.503","0.0006","22.1273","0.0006","25.5483","0.0007","90","","106.823","0.001","90","","11094.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H86.5 In N2 O3.5 -","- C57 H86.5 In N2 O3.5 -","- C456 H692 In8 N16 O28 -","8","2","","Piskunov, Alexandr Vladimirovich; Meshcheryakova, Irina N.; Ershova, Irina V.; Bogomyakov, Artem Stepanovich; Cherkasov, Anton; Fukin, Georgii K.","The reactivity of o-amidophenolate indium(III) complexes towards different oxidants","RSC Advances","2014","","","","","10.1039/C4RA05408C","","","0.71073","MoKα","","0.0879","0.0537","","","0.1223","0.1344","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217837","13.8391","0.0004","14.3968","0.0004","20.2234","0.0007","90","","98.674","0.001","90","","3983.2","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H50 Br2 Cl4 Cu2 N6 O9 -","- C26 H40 Br2 Cl4 Cu2 N6 O9 -","- C104 H160 Br8 Cl16 Cu8 N24 O36 -","4","1","","Rahiman, Kalilur; Gurumoorthy, Perumal; Mahendiran, Dharmasivam; Parbhu, Durai; Arulvasu, Chinnasamy","Magneto-structural correlation, antioxidant, DNA interaction and growth inhibition activities of new chloro-bridged phenolate complexes","RSC Advances","2014","","","","","10.1039/C4RA06941B","","","0.71073","MoKα","","0.0894","0.0426","","","0.0923","0.1107","","","","","","1.055","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217838","10.1699","0.0004","16.8523","0.0008","24.8924","0.0011","90","","98.768","0.002","90","","4216.4","0.3","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H28 Br Cl2 N3 Ni O4 -","- C15 H28 Br Cl1.998 N3 Ni O4 -","- C120 H224 Br8 Cl15.984 N24 Ni8 O32 -","8","1","","Rahiman, Kalilur; Gurumoorthy, Perumal; Mahendiran, Dharmasivam; Parbhu, Durai; Arulvasu, Chinnasamy","Magneto-structural correlation, antioxidant, DNA interaction and growth inhibition activities of new chloro-bridged phenolate complexes","RSC Advances","2014","","","","","10.1039/C4RA06941B","","","0.71073","MoKα","","0.0574","0.0333","","","0.074","0.0816","","","","","","1.037","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217839","14.2562","0.0001","14.1356","0.0001","14.3787","0.0001","90","","117.825","","90","","2562.57","0.03","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 N3 O2 -","- C34 H27 N3 O2 -","- C136 H108 N12 O8 -","4","1","","Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S.","Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties.","Physical chemistry chemical physics : PCCP","2014","16","40","22207","22221","10.1039/c4cp02629b","","","1.54178","CuKα","","0.0362","0.036","","","0.0883","0.0884","","","","","","1.057","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217840","5.6755","0.0002","11.9628","0.0004","16.5633","0.0006","90","","91.632","0.002","90","","1124.11","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C30 H21 N5 -","- C30 H21 N5 -","- C60 H42 N10 -","2","1","","Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S.","Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties.","Physical chemistry chemical physics : PCCP","2014","16","40","22207","22221","10.1039/c4cp02629b","","","1.54178","CuKα","","0.1853","0.179","","","0.3067","0.3091","","","","","","1.034","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217841","20.1555","0.0002","9.6757","0.0001","25.46","0.0003","90","","100.668","0.001","90","","4879.36","0.09","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 c 1","P -2yc","7","","","","- C33 H25 N3 O2 -","- C33 H25 N3 O2 -","- C264 H200 N24 O16 -","8","4","","Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S.","Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties.","Physical chemistry chemical physics : PCCP","2014","16","40","22207","22221","10.1039/c4cp02629b","","","1.54178","CuKα","","0.0531","0.0461","","","0.1183","0.1241","","","","","","1.034","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217842","11.3385","0.0006","13.9762","0.0007","15.3735","0.0008","90","","97.732","0.002","90","","2414.1","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N4 O -","- C32 H24 N4 O -","- C128 H96 N16 O4 -","4","1","","Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S.","Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties.","Physical chemistry chemical physics : PCCP","2014","16","40","22207","22221","10.1039/c4cp02629b","","","1.54178","CuKα","","0.039","0.036","","","0.0955","0.0984","","","","","","1.019","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217843","8.972","0.003","7.295","0.003","24.757","0.01","90","","96.902","0.007","90","","1608.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F N O3 -","- C20 H14 F N O3 -","- C80 H56 F4 N4 O12 -","4","1","","Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Fine-tuning solid-state luminescence in NPIs (1,8-naphthalimides): impact of the molecular environment and cumulative interactions.","Physical chemistry chemical physics : PCCP","2014","16","38","20866","20877","10.1039/c4cp02071e","","","0.71073","MoKα","","0.0874","0.0588","","","0.1392","0.1558","","","","","","1.113","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217844","9.008","0.007","7.848","0.006","24.086","0.019","90","","100.229","0.013","90","","1676","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Br N O3 -","- C20 H14 Br N O3 -","- C80 H56 Br4 N4 O12 -","4","1","","Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Fine-tuning solid-state luminescence in NPIs (1,8-naphthalimides): impact of the molecular environment and cumulative interactions.","Physical chemistry chemical physics : PCCP","2014","16","38","20866","20877","10.1039/c4cp02071e","","","0.71073","MoKα","","0.1291","0.0652","","","0.1558","0.1889","","","","","","0.954","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217845","13.916","0.005","11.329","0.004","10.53","0.004","90","","98.067","0.007","90","","1643.7","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O5 -","- C20 H14 N2 O5 -","- C80 H56 N8 O20 -","4","1","","Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Fine-tuning solid-state luminescence in NPIs (1,8-naphthalimides): impact of the molecular environment and cumulative interactions.","Physical chemistry chemical physics : PCCP","2014","16","38","20866","20877","10.1039/c4cp02071e","","","0.71073","MoKα","","0.11","0.0579","","","0.1161","0.1397","","","","","","1.046","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217846","11.405","0.0002","6.1854","0.0001","18.2916","0.0003","90","","90.461","0.001","90","","1290.33","0.04","100","0.2","100","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H46 O4 -","- C29 H46 O4 -","- C58 H92 O8 -","2","1","","Szczepek, Wojciech Jan; Frelek, Jadwiga; Butkiewicz, Aleksandra; Górecki, Marcin; Wojcieszczyk, Ryszard K.; Luboradzki, Roman; Kwit, Marcin; Rode, Michal F.","Structure ‒ Chiroptical Properties Relationship of Cisoid Enones with α-Methylenecyclopentanone Unit","RSC Advances","2014","","","","","10.1039/C4RA04991H","","x-ray","1.54184","CuKα","","0.0305","0.0297","","","0.0761","0.077","","","","","","1.075","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217847","11.867","0.0004","14.7863","0.0004","13.4527","0.0006","90","","105.836","0.005","90","","2270.94","0.15","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","dichlorido-(N,N-diethyl-1-ferrocenyl-3-thiabutanamine)palladium(II)","","- C19 H31 Cl2 Fe N O Pd S -","- C19 H31 Cl2 Fe N O Pd S -","- C76 H124 Cl8 Fe4 N4 O4 Pd4 S4 -","4","1","","Damljanovic, Ivan; Stevanovic, Dragana; Pejovic, Anka; Ilic, Danijela; Zivkovic, Marija; Jovanovic, Jovana; Vukicevic, Mirjana; Radulović, Niko S; Bogdanovic, Goran A.; Vukicevic, Rastko D.","The palladium(II) complex of N,N-diethyl-1-ferrocenyl-3-thiabutanamine: synthesis, solution and solid state structure and catalytic activity in Suzuki-Miyaura reaction","RSC Adv.","2014","","","","","10.1039/C4RA08140D","","","0.71073","MoKα","","0.0667","0.0506","","","0.0969","0.1037","","","","","","1.151","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217848","13.6982","0.0005","18.1868","0.0007","7.6277","0.0003","90","","90","","90","","1900.26","0.13","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","dichlorido-(N,N-diethyl-1-ferrocenyl-3-thiabutanamine)palladium(II)","","- C17 H25 Cl2 Fe N Pd S -","- C17 H25 Cl2 Fe N Pd S -","- C68 H100 Cl8 Fe4 N4 Pd4 S4 -","4","1","","Damljanovic, Ivan; Stevanovic, Dragana; Pejovic, Anka; Ilic, Danijela; Zivkovic, Marija; Jovanovic, Jovana; Vukicevic, Mirjana; Radulović, Niko S; Bogdanovic, Goran A.; Vukicevic, Rastko D.","The palladium(II) complex of N,N-diethyl-1-ferrocenyl-3-thiabutanamine: synthesis, solution and solid state structure and catalytic activity in Suzuki-Miyaura reaction","RSC Adv.","2014","","","","","10.1039/C4RA08140D","","","0.71073","MoKα","","0.0634","0.0571","","","0.1423","0.1465","","","","","","1.139","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217849","26.032","0.007","8.815","0.0015","21.444","0.008","90","","110.25","0.03","90","","4617","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 N2 O10 -","- C27 H18 N2 O10 -","- C216 H144 N16 O80 -","8","1","","Chen, Hengjun; Li, Min; Zheng, Guiming; Wang, Yifang; Song, Yang; Han, Conghui; Fu, Zhiyong; Liao, Shijun; Dai, Jing-Cao","Molecular packing, crystal to crystal transformation, electron transfer behaviour, photochromic and fluorescent property of three hydrogen-bonded supramolecular complexes containing benzenecarboxylate donors and viologen acceptors","RSC Adv.","2014","","","","","10.1039/C4RA07471H","","","0.71073","MoKα","","0.0606","0.0426","","","0.1139","0.1275","","","","","","1.075","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217850","7.37","0.0015","9.52","0.0019","15.776","0.003","90.26","0.03","102.68","0.03","106","0.03","1035.6","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H40 N4 O17 -","- C44 H40 N4 O17 -","- C44 H40 N4 O17 -","1","0.5","","Chen, Hengjun; Li, Min; Zheng, Guiming; Wang, Yifang; Song, Yang; Han, Conghui; Fu, Zhiyong; Liao, Shijun; Dai, Jing-Cao","Molecular packing, crystal to crystal transformation, electron transfer behaviour, photochromic and fluorescent property of three hydrogen-bonded supramolecular complexes containing benzenecarboxylate donors and viologen acceptors","RSC Adv.","2014","","","","","10.1039/C4RA07471H","","","0.71073","MoKα","","0.0794","0.0445","","","0.1111","0.1262","","","","","","1.038","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217851","8.9819","0.0018","12.923","0.003","15.042","0.003","90","","97.4","0.03","90","","1731.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N2 O6 -","- C22 H15 N2 O6 -","- C88 H60 N8 O24 -","4","1","","Chen, Hengjun; Li, Min; Zheng, Guiming; Wang, Yifang; Song, Yang; Han, Conghui; Fu, Zhiyong; Liao, Shijun; Dai, Jing-Cao","Molecular packing, crystal to crystal transformation, electron transfer behaviour, photochromic and fluorescent property of three hydrogen-bonded supramolecular complexes containing benzenecarboxylate donors and viologen acceptors","RSC Adv.","2014","","","","","10.1039/C4RA07471H","","","0.71073","MoKα","","0.0861","0.0398","","","0.0927","0.1239","","","","","","1.055","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217852","7.1364","0.0004","14.89","0.0009","14.839","0.0007","90","","91.636","0.005","90","","1576.16","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl N4 O5 -","- C14 H17 Cl N4 O5 -","- C56 H68 Cl4 N16 O20 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.","Effect of inductive effect on the formation of cocrystals and eutectics","CrystEngComm","2014","16","42","9930","","10.1039/C4CE01489H","","","0.71073","MoKα","","0.069","0.0484","","","0.097","0.109","","","","","","1.038","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217853","6.9766","0.0003","15.2461","0.0008","14.61","0.0007","90","","91.602","0.004","90","","1553.4","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl N3 O6 -","- C14 H16 Cl N3 O6 -","- C56 H64 Cl4 N12 O24 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.","Effect of inductive effect on the formation of cocrystals and eutectics","CrystEngComm","2014","16","42","9930","","10.1039/C4CE01489H","","","0.71073","MoKα","","0.0966","0.0619","","","0.1481","0.1765","","","","","","1.041","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217854","7.0625","0.0009","15.0679","0.0019","14.7835","0.0014","90","","90.563","0.009","90","","1573.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16.25 Cl N3.25 O5.75 -","- C14 H16.63 Cl N3.63 O5.37 -","- C56 H66.52 Cl4 N14.52 O21.48 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.","Effect of inductive effect on the formation of cocrystals and eutectics","CrystEngComm","2014","16","42","9930","","10.1039/C4CE01489H","","","0.71073","MoKα","","0.0741","0.0554","","","0.1351","0.1457","","","","","","1.034","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217855","7.0287","0.0005","15.0835","0.0011","14.7528","0.0011","90","","90.09","0.006","90","","1564.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16.5 Cl N3.5 O5.5 -","- C14 H16.47 Cl N3.47 O5.53 -","- C56 H65.88 Cl4 N13.88 O22.12 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.","Effect of inductive effect on the formation of cocrystals and eutectics","CrystEngComm","2014","16","42","9930","","10.1039/C4CE01489H","","","0.71073","MoKα","","0.082","0.0617","","","0.1524","0.1651","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217856","5.378","0.002","9.788","0.004","8.399","0.003","90","","101.676","0.004","90","","433","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-isopropyl-L-valine","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C16 H34 N2 O4 -","2","1","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.0522","0.0455","","","0.1245","0.1304","","","","","","1.09","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217857","17.382","0.004","10.705","0.002","9.608","0.002","90","","90","","90","","1787.8","0.6","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N-Isopropyl-DL-valine","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C64 H136 N8 O16 -","8","1","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.1073","0.0408","","","0.0981","0.1292","","","","","","1.012","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217858","9.2948","0.0018","10.79","0.002","19.871","0.004","90","","90","","90","","1992.9","0.7","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-isopropyl-L-leucine","","- C9 H19 N O2 -","- C9 H19 N O2 -","- C72 H152 N8 O16 -","8","2","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.0488","0.039","","","0.0868","0.0907","","","","","","1.077","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217859","10.75","0.002","9.407","0.002","11.079","0.003","90","","95.013","0.003","90","","1116.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-isopropyl-L-phenylalanine","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","2","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.0555","0.038","","","0.086","0.0952","","","","","","1.028","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217860","5.766","0.003","12.082","0.005","16.559","0.007","90","","90","","90","","1153.6","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-benzyl-L-valine","N-benzyl-S-2-amino-4-methylpropanoic acid","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","1.54178","CuKα","","0.1087","0.0663","","","0.1081","0.1229","","","","","","1.081","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217861","27.4601","0.0015","14.8337","0.0007","15.0974","0.0007","90","","112.024","0.007","90","","5700.9","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 N6 Ni2 O9 -","- C52 H32 N6 Ni2 O9 -","- C208 H128 N24 Ni8 O36 -","4","0.5","","Gong, Yun; Zhang, Miao Miao; Zhang, Pan; Shi, Hui Fang; Jiang, Peng Gang; Lin, Jian Hua","Metal‒organic frameworks based on 4-(4-carboxyphenyl)-2,2,4,4-terpyridine: structures, topologies and electrocatalytic behaviors in sodium laurylsulfonate aqueous solution","CrystEngComm","2014","16","42","9882","","10.1039/C4CE01506A","","","0.71073","MoKα","","0.0882","0.0756","","","0.2419","0.2579","","","","","","1.1","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217862","27.7567","0.0016","15.074","0.0005","15.1426","0.0007","90","","111.883","0.007","90","","5879.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 Co2 N6 O9 -","- C52 H32 Co2 N6 O9 -","- C208 H128 Co8 N24 O36 -","4","0.5","","Gong, Yun; Zhang, Miao Miao; Zhang, Pan; Shi, Hui Fang; Jiang, Peng Gang; Lin, Jian Hua","Metal‒organic frameworks based on 4-(4-carboxyphenyl)-2,2,4,4-terpyridine: structures, topologies and electrocatalytic behaviors in sodium laurylsulfonate aqueous solution","CrystEngComm","2014","16","42","9882","","10.1039/C4CE01506A","","","0.71073","MoKα","","0.0722","0.0596","","","0.2083","0.2201","","","","","","1.105","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217863","18.7063","0.0018","22.983","0.002","17.7139","0.0015","90","","105.866","0.002","90","","7325.6","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H58 Cu N8 O8 -","- C26 H19 Cu N3 O5.5 -","- C208 H152 Cu8 N24 O44 -","8","1","","Gong, Yun; Zhang, Miao Miao; Zhang, Pan; Shi, Hui Fang; Jiang, Peng Gang; Lin, Jian Hua","Metal‒organic frameworks based on 4-(4-carboxyphenyl)-2,2,4,4-terpyridine: structures, topologies and electrocatalytic behaviors in sodium laurylsulfonate aqueous solution","CrystEngComm","2014","16","42","9882","","10.1039/C4CE01506A","","","0.71073","MoKα","","0.1377","0.0811","","","0.227","0.247","","","","","","0.899","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217864","31.4162","0.0016","31.4162","0.0016","14.1226","0.0014","90","","90","","120","","12071.3","1.5","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H28.5 In N4.5 O13 -","- C14 H10.5 In N3.5 O8 -","- C252 H189 In18 N63 O144 -","18","1","","Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Anion-templated assembly of three indium‒organic frameworks with diverse topologies","CrystEngComm","2014","16","42","9810","","10.1039/C4CE01326C","","","0.71073","MoKα","","0.05","0.0461","","","0.1256","0.1307","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217865","24.681","0.004","24.681","0.004","10.819","0.002","90","","90","","90","","6590.4","1.9","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C19 H29 In N4 O12 -","- C13 H7 In N2 O8 -","- C104 H56 In8 N16 O64 -","8","1","","Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Anion-templated assembly of three indium‒organic frameworks with diverse topologies","CrystEngComm","2014","16","42","9810","","10.1039/C4CE01326C","","","0.71073","MoKα","","0.0753","0.0702","","","0.1936","0.197","","","","","","1.083","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217866","27.59","0.003","27.59","0.003","27.59","0.003","90","","90","","90","","21002","4","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C18 H26 Cl In N4 O9 -","- C12 H6 Cl In N2 O4 -","- C288 H144 Cl24 In24 N48 O96 -","24","1","","Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Anion-templated assembly of three indium‒organic frameworks with diverse topologies","CrystEngComm","2014","16","42","9810","","10.1039/C4CE01326C","","","0.71073","MoKα","","0.0677","0.051","","","0.1656","0.1717","","","","","","1.169","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217867","9.139","0.0011","9.306","0.001","9.7714","0.0012","85.131","0.01","65.297","0.013","71.185","0.011","713.44","0.17","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H16 N4 O7 -","- C12 H16 N4 O7 -","- C24 H32 N8 O14 -","2","2","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0609","0.058","","","0.1558","0.1595","","","","","","1.059","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217868","21.3368","0.0009","17.052","0.0005","6.7877","0.0003","90","","93.674","0.004","90","","2464.53","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N8 O8 -","- C22 H30 N8 O8 -","- C88 H120 N32 O32 -","4","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.82103","synchrotron","","0.0906","0.0721","","","0.1444","0.1504","","","","","","1.019","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217869","7.6414","0.0006","15.7487","0.0009","39.13","0.003","90","","90","","90","","4709","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H26 N8 O8 -","- C21 H26 N8 O8 -","- C168 H208 N64 O64 -","8","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0857","0.0503","","","0.1264","0.1469","","","","","","1.034","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217870","8.5926","0.0003","18.4382","0.0007","14.9164","0.0005","90","","92.437","0.003","90","","2361.1","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N8 O8 -","- C21 H26 N8 O8 -","- C84 H104 N32 O32 -","4","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0812","0.0646","","","0.1674","0.1798","","","","","","1.05","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217871","7.9317","0.0006","8.2797","0.0002","20.4795","0.0015","89.975","0.006","83.335","0.006","61.808","0.006","1175.1","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N8 O8 -","- C21 H26 N8 O8 -","- C42 H52 N16 O16 -","2","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0704","0.0651","","","0.1626","0.1662","","","","","","1.126","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217872","44.164","0.003","3.94516","0.00019","27.676","0.003","90","","96.236","0.008","90","","4793.6","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H55 N17 O16 -","- C44 H55 N17 O16 -","- C176 H220 N68 O64 -","4","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.82103","synchrotron","","0.1003","0.0951","","","0.2474","0.2544","","","","","","1.037","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217873","19.167","0.006","4.5557","0.0015","18.226","0.006","90","","100.72","0.01","90","","1563.7","0.9","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H17 N5 O2 -","- C16 H17 N5 O2 -","- C64 H68 N20 O8 -","4","1","","Mani, Ganesan; Ghorai, Debasish","Unsubstituted Quinoidal Pyrrole and its Reaction with Oxygen, Charge Transfer and Palladium(II) Complexes via DDQ Oxidation","RSC Adv.","2014","","","","","10.1039/C4RA07808J","","","0.71073","MoKα","","0.0829","0.0553","","","0.1353","0.1532","","","","","","1.007","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217874","8.678","0.0009","10.1309","0.0012","10.3932","0.0011","104.171","0.006","108.391","0.006","110.259","0.006","746.32","0.16","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N5 O -","- C16 H19 N5 O -","- C32 H38 N10 O2 -","2","1","","Mani, Ganesan; Ghorai, Debasish","Unsubstituted Quinoidal Pyrrole and its Reaction with Oxygen, Charge Transfer and Palladium(II) Complexes via DDQ Oxidation","RSC Adv.","2014","","","","","10.1039/C4RA07808J","","","1.54178","CuKα","","0.0428","0.0362","","","0.0886","0.0909","","","","","","0.942","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217875","19.389","0.003","13.8717","0.0017","9.8796","0.0012","90","","104.655","0.004","90","","2570.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N9 O -","- C26 H31 N9 O -","- C104 H124 N36 O4 -","4","1","","Mani, Ganesan; Ghorai, Debasish","Unsubstituted Quinoidal Pyrrole and its Reaction with Oxygen, Charge Transfer and Palladium(II) Complexes via DDQ Oxidation","RSC Adv.","2014","","","","","10.1039/C4RA07808J","","","0.71073","MoKα","","0.1961","0.0726","","","0.1659","0.2341","","","","","","1.005","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217876","8.1453","0.0007","12.1246","0.001","18.4077","0.0016","106.647","0.003","99.82","0.003","94.826","0.003","1699.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Cl2 N11 O2 -","- C34 H33 Cl2 N11 O2 -","- C68 H66 Cl4 N22 O4 -","2","1","","Mani, Ganesan; Ghorai, Debasish","Unsubstituted Quinoidal Pyrrole and its Reaction with Oxygen, Charge Transfer and Palladium(II) Complexes via DDQ Oxidation","RSC Adv.","2014","","","","","10.1039/C4RA07808J","","","0.71073","MoKα","","0.1418","0.0625","","","0.1393","0.1806","","","","","","1.002","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217877","23.991","0.004","8.3841","0.0013","25.825","0.004","90","","90","","90","","5194.5","1.4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H31 N9 -","- C26 H31 N9 -","- C208 H248 N72 -","8","2","","Mani, Ganesan; Ghorai, Debasish","Unsubstituted Quinoidal Pyrrole and its Reaction with Oxygen, Charge Transfer and Palladium(II) Complexes via DDQ Oxidation","RSC Adv.","2014","","","","","10.1039/C4RA07808J","","","0.71073","MoKα","","0.222","0.0994","","","0.1646","0.213","","","","","","1.112","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217878","13.058","0.003","15.125","0.003","20.479","0.004","90","","106.625","0.007","90","","3875.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 Cl4 N10 O1.5 Pd2 -","- C28 H34 Cl4 N10 O1.5 Pd2 -","- C112 H136 Cl16 N40 O6 Pd8 -","4","1","","Mani, Ganesan; Ghorai, Debasish","Unsubstituted Quinoidal Pyrrole and its Reaction with Oxygen, Charge Transfer and Palladium(II) Complexes via DDQ Oxidation","RSC Adv.","2014","","","","","10.1039/C4RA07808J","","","0.71073","MoKα","","0.2083","0.0924","","","0.2214","0.2836","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217879","6.712","0.003","11.442","0.005","13.092","0.006","90.454","0.01","99.008","0.01","103.693","0.01","963.8","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Cl N2 O5 S -","- C18 H19 Cl N2 O5 S -","- C36 H38 Cl2 N4 O10 S2 -","2","1","","Wang, Liqun; Zhang, Daming; li, jian; Xu, Guangyang; Sun, Jiangtao","A Highly Efficient DBU-Catalyzed Green Synthesis of Spirooxindoles","RSC Adv.","2014","","","","","10.1039/C4RA08812C","","","0.71073","MoKα","","0.0953","0.0653","","","0.1763","0.2281","","","","","","1.035","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217880","9.4832","0.0013","11.2471","0.0013","12.8517","0.0011","104.059","0.009","109.087","0.01","97.056","0.01","1225.6","0.3","293.66","0.1","293.66","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Br N O3 P -","- C26 H27 Br N O3 P -","- C52 H54 Br2 N2 O6 P2 -","2","1","","Li, Xi-An; Li, Jia-Yuan; Yang, Bin; Yang, Shang-Dong","Catalyst-free three-component reaction to synthesize chiral α-amino phosphine oxides","RSC Adv.","2014","4","75","39920","","10.1039/C4RA05645K","","","0.71073","MoKα","","0.0848","0.0538","","","0.1105","0.1324","","","","","","1.03","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217881","9.3152","0.0007","9.5241","0.0007","17.5001","0.0011","90","","90","","90","","1552.59","0.19","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","iodinephenyl trifluoromethyl pyrazole","1-(dimethylethyl)-5-(4-iodinephenyl)-3-(trifluoromethyl)-1H-pyrazole","","- C14 H14 F3 I N2 -","- C14 H14 F3 I N2 -","- C56 H56 F12 I4 N8 -","4","0.5","","Frizzo, Clarissa Piccinin; Martins, Marcos A. P.; Tier, Aniele; Gindri, Izabelle M.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Anna C. L.","Energetic and Topological Approach for Characterization of Supramolecular Clusters in Organic Crystals","RSC Adv.","2014","","","","","10.1039/C4RA06040G","","","0.71073","MoKα","","0.0538","0.0417","","","0.1143","0.1234","","","","","","1.062","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217882","15.307","0.002","9.451","0.0014","6.9446","0.001","90","","90","","90","","1004.7","0.2","296","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","methyl trichloromethylpyrazolo pyrimidine","2-methyl-7-trichloromethylpyrazolo [1,5-a] pyrimidine","","- C8 H6 Cl3 N3 -","- C8 H6 Cl3 N3 -","- C32 H24 Cl12 N12 -","4","1","","Frizzo, Clarissa Piccinin; Martins, Marcos A. P.; Tier, Aniele; Gindri, Izabelle M.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Anna C. L.","Energetic and Topological Approach for Characterization of Supramolecular Clusters in Organic Crystals","RSC Adv.","2014","","","","","10.1039/C4RA06040G","","","0.71073","MoKα","","0.0682","0.0459","","","0.1202","0.135","","","","","","1.05","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217883","6.5261","0.0003","7.3488","0.0003","7.6401","0.0003","96.998","0.003","100.396","0.003","113.411","0.003","323.04","0.03","296","2","293","2","","","","","","","","5","P -1","-P 1","2","4-iodo-5-methylisoxazol-3-amine","4-iodo-5-methylisoxazol-3-amine","","- C4 H5 I N2 O -","- C4 H5 I N2 O -","- C8 H10 I2 N4 O2 -","2","1","","Frizzo, Clarissa Piccinin; Martins, Marcos A. P.; Tier, Aniele; Gindri, Izabelle M.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Anna C. L.","Energetic and Topological Approach for Characterization of Supramolecular Clusters in Organic Crystals","RSC Adv.","2014","","","","","10.1039/C4RA06040G","","","0.71073","MoKα","","0.0256","0.0219","","","0.0511","0.0531","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217884","6.2936","0.0004","8.6404","0.0005","13.6969","0.0007","104.214","0.003","95.59","0.003","105.184","0.003","686.33","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","4-phenyl-1-(1,1-dimethylethyl06,7-dihydro-1H-","","","- C15 H16 N4 O -","- C15 H16 N4 O -","- C30 H32 N8 O2 -","2","1","","Frizzo, Clarissa Piccinin; Martins, Marcos A. P.; Tier, Aniele; Gindri, Izabelle M.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Anna C. L.","Energetic and Topological Approach for Characterization of Supramolecular Clusters in Organic Crystals","RSC Adv.","2014","","","","","10.1039/C4RA06040G","","","0.71073","MoKα","","0.0485","0.0369","","","0.0948","0.103","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217885","11.3649","0.0003","6.0949","0.0002","16.6562","0.0005","90","","100.811","0.002","90","","1133.26","0.06","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trichloro-4-phenylamino-3-buten-2-one","(E)-1,1,1-trichloro-4-phenylamino-3-buten-2-one","","- C10 H8 Cl3 N O -","- C10 H8 Cl3 N O -","- C40 H32 Cl12 N4 O4 -","4","1","","Frizzo, Clarissa Piccinin; Martins, Marcos A. P.; Tier, Aniele; Gindri, Izabelle M.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Anna C. L.","Energetic and Topological Approach for Characterization of Supramolecular Clusters in Organic Crystals","RSC Adv.","2014","","","","","10.1039/C4RA06040G","","","0.71073","MoKα","","0.1024","0.0809","","","0.1558","0.1683","","","","","","1.042","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217886","6.9093","0.0001","7.9188","0.0001","10.0033","0.0002","67.311","0.001","89.29","0.001","65.606","0.001","452.795","0.014","293","2","293","2","","","","","","","","3","P -1","-P 1","2","tert-butyl pyrazole","1-tert-butyl-5-(4-(1-tert-butyl-1H-pyrazol-5-yl)phenyl-1H-pyrazole","","- C10 H13 N2 -","- C10 H13 N2 -","- C20 H26 N4 -","2","1","","Frizzo, Clarissa Piccinin; Martins, Marcos A. P.; Tier, Aniele; Gindri, Izabelle M.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Anna C. L.","Energetic and Topological Approach for Characterization of Supramolecular Clusters in Organic Crystals","RSC Adv.","2014","","","","","10.1039/C4RA06040G","","","0.71073","MoKα","","0.0543","0.0456","","","0.1268","0.1426","","","","","","1.086","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217887","5.3623","","5.3623","","5.3623","","90","","90","","90","","154.189","","","","","","","","","","","","","2","P 1","P 1","1","","Cerium(IV)oxide","","- Ce O2 -","- Ce O2 -","- Ce4 O8 -","4","4","","Vanpoucke, Danny E. P.; Bultinck, Patrick; Cottenier, Stefaan; Van Speybroeck, Veronique; Van Driessche, Isabel","Aliovalent doping of CeO2: DFT study of oxidation state and vacancy effects","Journal of Materials Chemistry A","2014","2","33","13723","","10.1039/C4TA02449D","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217888","23.361","0.002","23.361","0.002","12.248","0.002","90","","90","","90","","6684.2","1.4","100","3","100","3","","","","","","","","4","P -4","P -4","81","","","","- C19 H94 N O33.7 -","- C19.128 H79.4232 N1.008 O33.6752 -","- C95.64 H397.116 N5.04 O168.376 -","5","1.25","","Muromachi, Sanehiro; Abe, Toru; Yamamoto, Yoshitaka; Takeya, Satoshi","Hydration structures of lactic acid: characterization of the ionic clathrate hydrate formed with a biological organic acid anion.","Physical chemistry chemical physics : PCCP","2014","16","39","21467","21472","10.1039/c4cp03444a","","","0.7107","MoKα","","0.0933","0.0792","","","0.213","0.2231","","","","","","1.057","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217889","13.5701","0.0002","11.6825","0.0002","14.9163","0.0003","90","","96.604","0.002","90","","2349.03","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C18 H27 N7 Cd, I2","tris(3,5-dimethylpyrazol-1-ylmethyl)amine-bis(iodide)cadmium(II)","","- C18 H27 Cd I2 N7 -","- C18 H27 Cd I2 N7 -","- C72 H108 Cd4 I8 N28 -","4","1","","Masternak, Joanna; Barszcz, Barbara; Sawka-Dobrowolska, Wanda; Wietrzyk, Joanna; Jezierska, Julia; Milczarek, Magalena","An efficient process to directly convert 1-hydroxymethyl-3,5-dimethylpyrazole to Cd(II) complexes via C-N bond creation: cytotoxicity and factors controlling the structures","RSC Adv.","2014","","","","","10.1039/C4RA07960D","","","0.71073","MoKα","","0.0358","0.0242","","","0.0523","0.0554","","","","","","0.974","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217890","13.5407","0.0003","11.2858","0.0002","14.6968","0.0003","90","","97.55","0.002","90","","2226.46","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C18 H27 N7 Cd, Br2","tris(3,5-dimethylpyrazol-1-ylmethyl)amine-bis(bromide)cadmium(II)","","- C18 H27 Br2 Cd N7 -","- C18 H27 Br2 Cd N7 -","- C72 H108 Br8 Cd4 N28 -","4","1","","Masternak, Joanna; Barszcz, Barbara; Sawka-Dobrowolska, Wanda; Wietrzyk, Joanna; Jezierska, Julia; Milczarek, Magalena","An efficient process to directly convert 1-hydroxymethyl-3,5-dimethylpyrazole to Cd(II) complexes via C-N bond creation: cytotoxicity and factors controlling the structures","RSC Adv.","2014","","","","","10.1039/C4RA07960D","","","0.71073","MoKα","","0.0314","0.0237","","","0.0509","0.0532","","","","","","1.003","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217891","8.211","0.002","8.477","0.002","17.26","0.003","102.75","0.03","99.29","0.03","95.85","0.03","1144.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(bis(3,5-dimethylpyrazol-1-methanol-N,O) -methanol- copper(ii)) (tetrachloridecadmium(ii))","[bis(3,5-dimethylpyrazol-1-methanol-N,O) -methanol-copper(II)] [tetrachloridecadmium(II)]","","- C13 H24 Cd Cl4 Cu N4 O3 -","- C13 H24 Cd Cl4 Cu N4 O3 -","- C26 H48 Cd2 Cl8 Cu2 N8 O6 -","2","1","","Masternak, Joanna; Barszcz, Barbara; Sawka-Dobrowolska, Wanda; Wietrzyk, Joanna; Jezierska, Julia; Milczarek, Magalena","An efficient process to directly convert 1-hydroxymethyl-3,5-dimethylpyrazole to Cd(II) complexes via C-N bond creation: cytotoxicity and factors controlling the structures","RSC Adv.","2014","","","","","10.1039/C4RA07960D","","","0.71073","MoKα","","0.0653","0.0454","","","0.0495","0.0562","","","","","","0.952","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217895","11.5262","0.0018","19.1764","0.0016","36.1485","0.0012","90","","93.778","0.003","90","","7972.6","1.4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H65 Dy F18 N4 O13 P2 S4 -","- C66 H65 Dy F18 N4 O13 P2 S4 -","- C264 H260 Dy4 F72 N16 O52 P8 S16 -","4","1","","Cao, Deng-Ke; Wei, Ruo-Hong; Gu, Yan-Wei; Zhao, Yue; Ward, Mike D.","A mononuclear Dy(III) complex incoporating dithienylethene unit: crystalline-phase photochromism, magnetic and luminescent properties","RSC Adv.","2014","","","","","10.1039/C4RA05312E","","","0.71073","MoKα","","0.085","0.0586","","","0.1283","0.1351","","","","","","1.015","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217896","8.103","0.003","8.097","0.003","40.015","0.014","90","","90","","90","","2625.4","1.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N2 O3 P S2 -","- C25 H29 N2 O3 P S2 -","- C100 H116 N8 O12 P4 S8 -","4","1","","Cao, Deng-Ke; Wei, Ruo-Hong; Gu, Yan-Wei; Zhao, Yue; Ward, Mike D.","A mononuclear Dy(III) complex incoporating dithienylethene unit: crystalline-phase photochromism, magnetic and luminescent properties","RSC Adv.","2014","","","","","10.1039/C4RA05312E","","","0.71073","MoKα","","0.0949","0.0571","","","0.137","0.1576","","","","","","1.028","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217897","9.4125","0.0004","9.9012","0.0004","16.0619","0.0007","90","","90","","90","","1496.89","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Equisetumone","","- C15 H26 O7 -","- C15 H26 O7 -","- C60 H104 O28 -","4","1","","Wei, Zuo-Fu; Chen, Yung-Husan; Sung, Ping-Jyun; Wang, Guey-Horng; Liou, Jing-Ru; Wang, Sheng-Yang; Chang, Shang Tzen; Zu, Yuan-Gang; Chiang, Michael, Y.; Fu, Yujie; Chang, F.-R.","Equisetumone, a novel 4-5-olide secocaryophyllane sesquiterpene from Equisetum palustre","RSC Adv.","2014","","","","","10.1039/C4RA08118H","","","1.54178","CuKα","","0.026","0.0259","","","0.0665","0.0666","","","","","","1.09","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217898","14.6042","0.0007","18.9617","0.001","22.6534","0.0009","96.608","0.004","104.969","0.004","111.88","0.005","5465.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C138 H158 N76 O36 -","- C138 H158 N76 O36 -","- C138 H158 N76 O36 -","1","0.5","","Yang, Bo; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Wei, Gang","Inclusion of 4-pyrrolidinopyridine derivatives in a symmetrical α,α',δ,δ'-tetramethyl-cucurbit[6]uril and a Ba2±driven pseudorotaxane with characteristic UV absorption changes","RSC Adv.","2014","","","","","10.1039/C4RA07314B","","","0.71073","MoKα","","0.1932","0.1055","","","0.255","0.2819","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217899","12.8214","0.0006","13.6444","0.0013","22.36","0.002","82","0.008","86.425","0.005","87.378","0.006","3863.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H130 Cd3 Cl8 N52 O30 -","- C106 H130 Cd3 Cl8 N52 O30 -","- C106 H130 Cd3 Cl8 N52 O30 -","1","0.5","","Yang, Bo; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Wei, Gang","Inclusion of 4-pyrrolidinopyridine derivatives in a symmetrical α,α',δ,δ'-tetramethyl-cucurbit[6]uril and a Ba2±driven pseudorotaxane with characteristic UV absorption changes","RSC Adv.","2014","","","","","10.1039/C4RA07314B","","","0.71073","MoKα","","0.1539","0.12","","","0.2914","0.327","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217900","14.1492","0.0011","14.633","0.003","18.3617","0.0015","90","","92.289","0.007","90","","3798.7","0.9","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 F6 Ir N4 P -","- C44 H36 F6 Ir N4 P -","- C176 H144 F24 Ir4 N16 P4 -","4","1","","Fan, Shengqiang; Zong, Xu; Shaw, Paul E.; Wang, Xin; Geng, Yan; Smith, Arthur R. G.; Burn, Paul L.; Wang, Lianzhou; Lo, Shih-Chun","Energetic requirements of iridium(iii) complex based photosensitisers in photocatalytic hydrogen generation.","Physical chemistry chemical physics : PCCP","2014","16","39","21577","21585","10.1039/c4cp02997f","","x-ray","0.71073","MoKα","","0.1136","0.056","","","0.109","0.1209","","","","","","0.884","","","","has coordinates,has disorder","180510","2020-10-21","18:00:00",""
"7217901","9.904","0.004","10.633","0.004","13.243","0.005","100.613","0.0015","103.125","0.006","117.338","0.005","1137.4","0.8","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 F3 O4 -","- C27 H23 F3 O4 -","- C54 H46 F6 O8 -","2","1","","Minakawa, Maki; Ishikawa, Tomoki; Namioka, Junya; Hirooka, Souichirou; Zhou, Biao; Kawatsura, Motoi","Iron-catalyzed [2 + 2 + 2] cycloaddition of trifluoromethyl group substituted unsymmetrical internal alkynes","RSC Adv.","2014","4","78","41353","","10.1039/C4RA06973K","","","0.71075","MoKα","","","0.052","","","","0.1539","","","","","","1.099","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217902","31.102","0.01","6.1084","0.0019","21.032","0.007","90","","129.544","0.004","90","","3081.3","1.7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H35 N2 O4 -","- C36 H35 N2 O4 -","- C144 H140 N8 O16 -","4","1","","Chinnaraja, Duraisamy; Rajalakshmi, Ramarajan","Atom and step economic multicomponent synthesis of highly functionalized novel N-alkyl piperidines: structural elucidation through spectral studies and single crystallographic analysis","RSC Adv.","2014","4","78","41314","","10.1039/C4RA06505K","","","0.71073","MoKα","","0.0575","0.0517","","","0.1374","0.1432","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217903","10.9418","0.0014","10.9774","0.0012","12.3371","0.0013","96.606","0.009","99.89","0.01","103.363","0.01","1401.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 F4 N2 O2 -","- C34 H30 F4 N2 O2 -","- C68 H60 F8 N4 O4 -","2","1","","Chinnaraja, Duraisamy; Rajalakshmi, Ramarajan","Atom and step economic multicomponent synthesis of highly functionalized novel N-alkyl piperidines: structural elucidation through spectral studies and single crystallographic analysis","RSC Adv.","2014","4","78","41314","","10.1039/C4RA06505K","","","0.71073","MoKα","","0.2253","0.0728","","","0.1624","0.2434","","","","","","0.934","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217904","10.586","0.002","28.043","0.008","17.448","0.003","90","","92.08","0.03","90","","5176","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N10 O24 Zn3 -","- C42 H40 N10 O24 Zn3 -","- C168 H160 N40 O96 Zn12 -","4","0.5","","Huang, Fu-Ping; Yao, Peng-Fei; Luo, Wei; Li, Hai-Ye; Yu, Qing; Bian, Hedong; Yan, Shi-Ping","Coordination assemblies of the MII-tm/bpt (M = Zn/Cd/Co/Ni) mixed-ligand system: positional isomeric effect, structural diversification and properties","RSC Adv.","2014","","","","","10.1039/C4RA03545C","","","0.71073","MoKα","","0.0815","0.0661","","","0.1715","0.1815","","","","","","1.002","","","","has coordinates,has disorder","180510","2020-10-21","18:00:00",""
"7217905","15.633","0.003","12.49","0.003","20.931","0.004","90","","95.38","0.03","90","","4068.9","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H24 N10 O12 Zn3 -","- C42 H24 N10 O12 Zn3 -","- C168 H96 N40 O48 Zn12 -","4","0.5","","Huang, Fu-Ping; Yao, Peng-Fei; Luo, Wei; Li, Hai-Ye; Yu, Qing; Bian, Hedong; Yan, Shi-Ping","Coordination assemblies of the MII-tm/bpt (M = Zn/Cd/Co/Ni) mixed-ligand system: positional isomeric effect, structural diversification and properties","RSC Adv.","2014","","","","","10.1039/C4RA03545C","","","0.71073","MoKα","","0.0903","0.0609","","","0.1065","0.1157","","","","","","1.038","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217906","10.118","0.002","10.261","0.002","12.483","0.003","113.43","0.03","97.44","0.03","94.64","0.03","1166.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Cd2 N5 O9 -","- C21 H15 Cd2 N5 O9 -","- C42 H30 Cd4 N10 O18 -","2","1","","Huang, Fu-Ping; Yao, Peng-Fei; Luo, Wei; Li, Hai-Ye; Yu, Qing; Bian, Hedong; Yan, Shi-Ping","Coordination assemblies of the MII-tm/bpt (M = Zn/Cd/Co/Ni) mixed-ligand system: positional isomeric effect, structural diversification and properties","RSC Adv.","2014","","","","","10.1039/C4RA03545C","","","0.71073","MoKα","","0.0915","0.0582","","","0.122","0.1502","","","","","","1.116","","","","has coordinates,has disorder","180510","2020-10-21","18:00:00",""
"7217907","10.246","0.002","14.057","0.003","15.526","0.003","109.87","0.03","97.37","0.03","93.56","0.03","2072.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 Cd4 N10 O15 -","- C42 H28 Cd4 N10 O15 -","- C84 H56 Cd8 N20 O30 -","2","1","","Huang, Fu-Ping; Yao, Peng-Fei; Luo, Wei; Li, Hai-Ye; Yu, Qing; Bian, Hedong; Yan, Shi-Ping","Coordination assemblies of the MII-tm/bpt (M = Zn/Cd/Co/Ni) mixed-ligand system: positional isomeric effect, structural diversification and properties","RSC Adv.","2014","","","","","10.1039/C4RA03545C","","","0.71073","MoKα","","0.1228","0.0713","","","0.1202","0.1466","","","","","","1.096","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217908","9.998","0.002","10.036","0.002","12.674","0.003","96.16","0.03","112.99","0.03","94.1","0.03","1155","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Co3 N10 O20 -","- C42 H40 Co3 N10 O20 -","- C42 H40 Co3 N10 O20 -","1","0.5","","Huang, Fu-Ping; Yao, Peng-Fei; Luo, Wei; Li, Hai-Ye; Yu, Qing; Bian, Hedong; Yan, Shi-Ping","Coordination assemblies of the MII-tm/bpt (M = Zn/Cd/Co/Ni) mixed-ligand system: positional isomeric effect, structural diversification and properties","RSC Adv.","2014","","","","","10.1039/C4RA03545C","","","0.71073","MoKα","","0.0577","0.0481","","","0.1294","0.1359","","","","","","0.911","","","","has coordinates,has disorder","180510","2020-10-21","18:00:00",""
"7217909","11.324","0.002","12.462","0.003","13.474","0.003","78.55","0.03","71.71","0.03","71.54","0.03","1702.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H60 N20 Ni3 O21 -","- C66 H58 N20 Ni3 O21 -","- C66 H58 N20 Ni3 O21 -","1","0.5","","Huang, Fu-Ping; Yao, Peng-Fei; Luo, Wei; Li, Hai-Ye; Yu, Qing; Bian, Hedong; Yan, Shi-Ping","Coordination assemblies of the MII-tm/bpt (M = Zn/Cd/Co/Ni) mixed-ligand system: positional isomeric effect, structural diversification and properties","RSC Adv.","2014","","","","","10.1039/C4RA03545C","","","0.71073","MoKα","","0.1961","0.1085","","","0.1913","0.2319","","","","","","1.085","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217975","26.73","0.04","6.863","0.008","13.068","0.018","90","","110.22","0.07","90","","2250","5","293","2","293","2","4800000","","4800000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","Synchrotron","","0.1416","0.0938","","","0.1526","0.1784","","","","","","1.126","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217976","27.82","0.08","7.38","0.02","13.96","0.04","90","","109.73","0.16","90","","2698","13","293","2","293","2","100000","","100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","synchrotron","","0.1696","0.098","","","0.2153","0.2795","","","","","","1.096","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217977","27.99","0.04","7.325","0.01","13.88","0.02","90","","110.29","0.08","90","","2669","7","293","2","293","2","1100000","","1100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","Synchrotron","","0.1813","0.1238","","","0.2272","0.2733","","","","","","1.092","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217978","27.691","0.016","7.225","0.003","13.704","0.004","90","","110","0.03","90","","2576","2","293","2","293","","1400000","","1400000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","synchrotron","","0.1954","0.1138","","","0.2252","0.2981","","","","","","1.123","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217979","27.38","0.008","7.0724","0.0014","13.445","0.002","90","","110.187","0.015","90","","2443.6","1","293","2","293.15","","3000000","","3000000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","synchrotron","","0.1795","0.1115","","","0.2177","0.2822","","","","","","1.114","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217980","26.91","0.04","6.962","0.008","13.249","0.018","90","","110.3","0.07","90","","2328","5","293","2","293","2","3800000","","3800000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","Synchrotron","","0.1471","0.0969","","","0.1691","0.203","","","","","","1.004","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217981","24.3","0.13","6.83","0.03","13.37","0.07","90","","92.3","0.3","90","","2217","19","293","2","293","","9400000","","9400000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1391","0.1005","","","0.2415","0.2729","","","","","","1.121","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217982","29.46","0.04","7.628","0.009","14.51","0.017","90","","111.334","0.018","90","","3037","7","293","","293","","100","","100","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1311","0.0792","","","0.1522","0.1904","","","","","","1.156","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217983","29.22","0.04","7.578","0.008","14.434","0.018","90","","111.13","0.02","90","","2981","6","293","2","293","","200000","","200000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.183","0.0909","","","0.2416","0.349","","","","","","1.029","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217984","28.41","0.03","7.339","0.005","14.008","0.013","90","","111.53","0.02","90","","2717","4","293","2","293","","1100000","","1100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1468","0.0838","","","0.2366","0.3289","","","","","","1.179","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217985","27.88","0.03","7.166","0.006","13.692","0.013","90","","111.678","0.015","90","","2542","4","293","2","293","","2700000","","2700000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1132","0.083","","","0.2495","0.3198","","","","","","1.286","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217986","25.79","0.1","7.17","0.03","14.06","0.05","90","","92.24","0.08","90","","2598","17","293","2","293","","4100000","","4100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.178","0.1146","","","0.2847","0.3481","","","","","","1.106","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217987","24.773","0.01","6.98","0.03","13.67","0.05","90","","92.25","0.11","90","","2362","13","293","2","293","","5400000","","5400000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1576","0.1077","","","0.2252","0.2628","","","","","","1.046","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217988","24.73","0.06","6.956","0.013","13.63","0.03","90","","92.59","0.06","90","","2342","9","293","2","293","","6300000","","6300000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","","","0.1659","0.1072","","","0.234","0.2808","","","","","","1.118","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217989","24.56","0.16","6.89","0.04","13.52","0.08","90","","92.65","0.18","90","","2285","2","293","2","293","","8000000","","100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","","","0.1591","0.103","","","0.2284","0.2652","","","","","","1.065","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7218021","20.184","0.004","20.184","0.004","13.719","0.003","90","","90","","90","","5589","2","150","2","150","2","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H32 Co N2 O5 -","- C32 H32 Co N2 O5 -","- C256 H256 Co8 N16 O40 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71075","MoKα","","0.0339","0.0334","","","0.0886","0.0891","","","","","","0.852","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218036","6.0187","0.0003","5.3451","0.0003","9.9651","0.0004","90","","92.604","0.002","90","","320.25","0.03","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5-dichloro 1,4-benzoquinone","","","- C6 H2 Cl2 O2 -","- C6 H2 Cl2 O2 -","- C12 H4 Cl4 O4 -","2","0.5","","Vijaya Pandiyan, B.; Deepa, P.; Kolandaivel, P.","On the nature of non-covalent interactions in isomers of 2,5-dichloro-1,4-benzoquinone dimers - ground- and excited-state properties.","Physical chemistry chemical physics : PCCP","2014","16","37","19928","19940","10.1039/c4cp02484b","","x-ray","0.71073","MoKα","","0.0157","0.0116","","","","0.016","","","","","","1.003","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218037","22.9973","0.0004","22.9973","0.0004","22.5955","0.0007","90","","90","","90","","11950.2","0.5","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C102 H131 Cd3 N2 O47.5 -","- C102 H104 Cd3 N2 O47.5 -","- C408 H416 Cd12 N8 O190 -","4","0.5","","Jiang, Wei; Zhang, Hang; Yang, Jin; Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang","Three resorcin[4]arene-based complexes with Cu(ii)-exchange characteristics and fluorescence sensing of polyoxometalates in aqueous solutions","CrystEngComm","2014","16","41","9638","","10.1039/C4CE01376J","","","0.71073","MoKα","","0.2048","0.1146","","","0.2694","0.3376","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218038","17.6923","0.0007","15.6746","0.0007","42.594","0.0011","90","","90","","90","","11812.2","0.8","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C96 H96 O36 Zn4 -","- C96 H88 O36 Zn4 -","- C384 H352 O144 Zn16 -","4","1","","Jiang, Wei; Zhang, Hang; Yang, Jin; Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang","Three resorcin[4]arene-based complexes with Cu(ii)-exchange characteristics and fluorescence sensing of polyoxometalates in aqueous solutions","CrystEngComm","2014","16","41","9638","","10.1039/C4CE01376J","","","1.54184","CuKα","","0.1247","0.0998","","","0.2696","0.2953","","","","","","1.011","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218039","11.8811","0.0006","20.9902","0.0014","21.3711","0.0011","79.558","0.005","81.534","0.004","86.36","0.005","5180.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C206 H250 Mn9 N4 O94 -","- C206 H206 Mn9 N4 O94 -","- C206 H206 Mn9 N4 O94 -","1","0.5","","Jiang, Wei; Zhang, Hang; Yang, Jin; Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang","Three resorcin[4]arene-based complexes with Cu(ii)-exchange characteristics and fluorescence sensing of polyoxometalates in aqueous solutions","CrystEngComm","2014","16","41","9638","","10.1039/C4CE01376J","","","0.71073","MoKα","","0.2061","0.0962","","","0.2144","0.2808","","","","","","1.025","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218040","12.2409","0.0006","13.5072","0.0007","20.2897","0.0014","103.942","0.01","100.864","0.008","93.222","0.005","3179.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H87 N O18 Zn2 -","- C62 H65 N O18 Zn2 -","- C124 H130 N2 O36 Zn4 -","2","1","","Li, Xiao-Tong; Li, Jing; Li, Meng; Liu, Ying-Ying; Song, Shu-Yan; Ma, Jian-Fang","An unusual lamellar framework constructed from a tetracarboxylatocalix[4]arene with highly efficient metal-ion exchange","CrystEngComm","2014","16","40","9520","","10.1039/C4CE01463D","","","0.71073","MoKα","","0.0643","0.0467","","","0.1191","0.132","","","","","","1.029","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218041","11.969","0.001","14.298","0.002","19.673","0.0013","88.059","0.004","89.676","0.006","83.535","0.005","3343.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H194 N4 O45 Zn2 -","- C120 H126 N4 O45 Zn2 -","- C120 H126 N4 O45 Zn2 -","1","0.5","","Li, Xiao-Tong; Li, Jing; Li, Meng; Liu, Ying-Ying; Song, Shu-Yan; Ma, Jian-Fang","An unusual lamellar framework constructed from a tetracarboxylatocalix[4]arene with highly efficient metal-ion exchange","CrystEngComm","2014","16","40","9520","","10.1039/C4CE01463D","","","0.71069","MoKα","","0.1189","0.0737","","","0.1698","0.1934","","","","","","1.12","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218042","11.9388","0.0014","15.036","0.002","20.9814","0.0012","84.88","0.006","80.637","0.004","71.171","0.003","3514.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H94 Cd2 N2 O20 -","- C66 H72 Cd2 N2 O20 -","- C132 H144 Cd4 N4 O40 -","2","1","","Li, Xiao-Tong; Li, Jing; Li, Meng; Liu, Ying-Ying; Song, Shu-Yan; Ma, Jian-Fang","An unusual lamellar framework constructed from a tetracarboxylatocalix[4]arene with highly efficient metal-ion exchange","CrystEngComm","2014","16","40","9520","","10.1039/C4CE01463D","","","0.71073","MoKα","","0.1333","0.0871","","","0.1744","0.1965","","","","","","1.114","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218043","9.136","0.004","11.058","0.004","18.192","0.007","102.36","0.02","90.79","0.03","107.76","0.03","1703.5","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H29 Cl N3 O4 P Ru -","- C39 H29 Cl N3 O4 P Ru -","- C78 H58 Cl2 N6 O8 P2 Ru2 -","2","1","","Ghosh, Kaushik; Kumar, Rajan; Kumar, Kapil; Ratnam, Anand; Singh, Udai","Reactivity of nitric oxide with ruthenium complexes derived from bidentate ligands: Structure of ruthenium nitrosyl complex, photoinduced generation and estimation of nitric oxide","RSC Adv.","2014","","","","","10.1039/C4RA04767B","","","0.71073","MoKα","","0.1384","0.075","","","0.1828","0.2123","","","","","","1.188","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218044","11.4527","0.0013","14.6366","0.0017","14.669","0.0017","104.877","0.002","90.706","0.002","109.796","0.001","2222.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H53 Mo12 N12 O50 P V4 -","- C60 H48 Mo11.96 N12 O50 P V4.04 -","- C60 H48 Mo11.96 N12 O50 P V4.04 -","1","0.5","","Ge, Weilin; Long, Zhouyang; Cai, Xiaochun; Wang, Qian; Zhou, Yu; Xu, Yan; Wang, Jun","A new polyoxometalate-based Mo/V coordinated crystalline hybrid and its catalytic activity in aerobic hydroxylation of benzene","RSC Adv.","2014","","","","","10.1039/C4RA06736C","","","0.71073","MoKα","","0.0804","0.0438","","","0.1044","0.1173","","","","","","0.982","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218045","4.2028","0.0007","11.833","0.002","31.589","0.005","90","","90","","90","","1571","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl2 N2 -","- C18 H14 Cl2 N2 -","- C72 H56 Cl8 N8 -","4","1","","Ray, Jayanta K.; Singha, Raju","Transition metal free synthesis of 2,4,6-trisubstituted pyrimidines via Cope-type hydroamination of 1,4-diarylbuta-1,3-diynes","RSC Adv.","2014","","","","","10.1039/C4RA07690G","","","0.71073","MoKα","","0.1247","0.0485","","","0.0756","0.0939","","","","","","0.999","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218046","24.702","0.004","9.107","0.0012","20.913","0.003","90","","124.178","0.002","90","","3892.1","1","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Cu N2 O10 P2 V -","- C14 H15 Cu N2 O10 P2 V -","- C112 H120 Cu8 N16 O80 P16 V8 -","8","1","","Ma, Ming-Xue; Sun, Zhen-Gang; Zhu, Yanyu; Zhang, Guang-Ning; Sun, Tong; Li, Wen-Zhu; Luo, Hui","Two novel oxovanadium−organophosphonate hybrids with a 3D supramolecular structure: synthesis, crystal structures, surface photovoltage and luminescent properties","RSC Adv.","2014","","","","","10.1039/C4RA07364A","","","0.71073","MoKα","","0.0901","0.0483","","","0.0889","0.1053","","","","","","1.015","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218047","24.737","0.004","9.1709","0.0015","20.942","0.004","90","","121.807","0.003","90","","4037.5","1.2","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 N2 O10 P2 V Zn -","- C14 H15 N2 O10 P2 V Zn -","- C112 H120 N16 O80 P16 V8 Zn8 -","8","1","","Ma, Ming-Xue; Sun, Zhen-Gang; Zhu, Yanyu; Zhang, Guang-Ning; Sun, Tong; Li, Wen-Zhu; Luo, Hui","Two novel oxovanadium−organophosphonate hybrids with a 3D supramolecular structure: synthesis, crystal structures, surface photovoltage and luminescent properties","RSC Adv.","2014","","","","","10.1039/C4RA07364A","","","0.71073","MoKα","","0.0824","0.0422","","","0.0902","0.1056","","","","","","1.036","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218048","6.2534","0.0005","7.7581","0.0007","15.5349","0.0013","90","","91.251","0.001","90","","753.49","0.11","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Basireddy, Venkata Subba Reddy; Ramisetti, Anjibabu; Ramana Reddy, Mittapalli; Reddy, Jagan Mohan; Balasubramanian, Sridhar","Intramolecular C-O/C-S bond insertion of α-diazoesters for the synthesis of 2-aryl-4H-benzo[d][1,3]oxazine and 2-aryl-4H-benzo[d][1,3]thiazine derivatives","RSC Adv.","2014","","","","","10.1039/C4RA08208G","","","0.71073","MoKα","","0.0334","0.0322","","","0.0889","0.09","","","","","","1.082","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218049","33.174","0.007","5.5878","0.0011","20.516","0.004","90","","127.93","0.03","90","","2999.7","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N2 O4 P Zn -","- C14 H16 N2 O4 P Zn -","- C112 H128 N16 O32 P8 Zn8 -","8","1","","Zhou, Ming-Jie; Li, Bing; Liu, Li; Feng, Yan-Long; Guo, Jian-Zhong","Two polymorphs of zinc(ii) coordination polymers constructed from 2-carboxyethyl(phenyl)phosphinate and 1,4-bis(1H-imidazol-1-yl)butane ligands","CrystEngComm","2014","16","43","10034","","10.1039/C4CE01102C","","","0.71073","MoKα","","0.0896","0.0502","","","0.1083","0.1562","","","","","","1.144","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218050","11.496","0.002","13.665","0.003","11.051","0.002","90","","116.53","0.03","90","","1553.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O4 P Zn -","- C14 H16 N2 O4 P Zn -","- C56 H64 N8 O16 P4 Zn4 -","4","1","","Zhou, Ming-Jie; Li, Bing; Liu, Li; Feng, Yan-Long; Guo, Jian-Zhong","Two polymorphs of zinc(ii) coordination polymers constructed from 2-carboxyethyl(phenyl)phosphinate and 1,4-bis(1H-imidazol-1-yl)butane ligands","CrystEngComm","2014","16","43","10034","","10.1039/C4CE01102C","","","0.71073","MoKα","","0.062","0.0544","","","0.164","0.1681","","","","","","1.139","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218051","4.0513","0.0009","11.154","0.002","12.902","0.003","104.617","0.011","94.207","0.011","94.195","0.012","560.1","0.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","1,5-dimethyl-3-(p-ethynylphenyl)-6-oxoverdazyl","","- C12 H11 N4 O -","- C12 H11 N4 O -","- C24 H22 N8 O2 -","2","1","","Merhi, Areej; Roisnel, Thierry; Rigaut, Stéphane; Train, Cyrille; Norel, Lucie","Ferromagnetic intermolecular exchange interaction in ethynyl-verdazyl radical crystals","CrystEngComm","2014","16","42","9783","","10.1039/C4CE01437E","","x-ray","0.71073","MoKα","","0.0959","0.0537","","","0.1406","0.1663","","","","","","0.993","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218052","3.994","0.0004","11.1412","0.0009","12.8857","0.0011","104.875","0.004","94.557","0.004","93.967","0.004","550.03","0.09","200","2","200","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C12 H11 N4 O -","- C12 H11 N4 O -","- C24 H22 N8 O2 -","2","1","","Merhi, Areej; Roisnel, Thierry; Rigaut, Stéphane; Train, Cyrille; Norel, Lucie","Ferromagnetic intermolecular exchange interaction in ethynyl-verdazyl radical crystals","CrystEngComm","2014","16","42","9783","","10.1039/C4CE01437E","","x-ray","0.71073","MoKα","","0.0763","0.0502","","","0.1192","0.134","","","","","","0.957","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218053","3.9458","0.0002","11.1337","0.0004","12.8406","0.0005","105.091","0.002","95.1","0.002","93.601","0.002","540.32","0.04","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C12 H11 N4 O -","- C12 H11 N4 O -","- C24 H22 N8 O2 -","2","1","","Merhi, Areej; Roisnel, Thierry; Rigaut, Stéphane; Train, Cyrille; Norel, Lucie","Ferromagnetic intermolecular exchange interaction in ethynyl-verdazyl radical crystals","CrystEngComm","2014","16","42","9783","","10.1039/C4CE01437E","","x-ray","0.71073","MoKα","","0.0609","0.047","","","0.1207","0.1299","","","","","","1.014","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218054","9.536","0.0003","12.7918","0.0005","13.7773","0.0005","73.402","0.003","80.926","0.003","68.325","0.003","1494.11","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Cd Cl2 N10 -","- C26 H30 Cd Cl2 N10 -","- C52 H60 Cd2 Cl4 N20 -","2","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.54184","CuKα","","0.0334","0.0295","","","0.0765","0.0793","","","","","","1.017","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218055","9.4788","0.0004","10.2419","0.0005","10.5173","0.0002","95.716","0.003","99.798","0.003","109.484","0.004","934.99","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Cd N7 S2 -","- C15 H15 Cd N7 S2 -","- C30 H30 Cd2 N14 S4 -","2","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.54184","CuKα","","0.0364","0.0351","","","0.0959","0.0977","","","","","","1.039","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218056","12.46876","0.00011","15.99954","0.00013","19.46996","0.00019","90","","103.059","0.0009","90","","3783.7","0.06","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Cd2 Cl2 N16 O2 -","- C28 H38 Cd2 Cl2 N16 O2 -","- C112 H152 Cd8 Cl8 N64 O8 -","4","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.5418","CuKα","","0.0305","0.028","","","0.076","0.0783","","","","","","1.045","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218057","9.3734","0.0005","18.5736","0.0005","9.2232","0.0003","90","","107.887","0.005","90","","1528.12","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cd Cl2 N5 -","- C13 H15 Cd Cl2 N5 -","- C52 H60 Cd4 Cl8 N20 -","4","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.54184","CuKα","","0.0321","0.0279","","","0.0725","0.0761","","","","","","1.042","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218058","9.555","0.001","9.8491","0.0012","9.885","0.0009","72.948","0.01","68.962","0.009","86.711","0.01","828.88","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 Cd N11 -","- C13 H15 Cd N11 -","- C26 H30 Cd2 N22 -","2","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.54184","CuKα","","0.0249","0.0232","","","0.0584","0.0594","","","","","","1.053","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218059","26.5918","0.0009","13.5595","0.0005","18.1128","0.0006","90","","94.582","0.003","90","","6510.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 Cd N12 O7 -","- C27 H34 Cd N12 O7 -","- C216 H272 Cd8 N96 O56 -","8","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","0.71073","MoKα","","0.0688","0.0483","","","0.1063","0.1193","","","","","","1.05","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218060","14.4906","0.0004","13.7504","0.0005","18.9091","0.0007","90","","95.28","0.003","90","","3751.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Cu2 Mo8 N16 O26 -","- C60 H62 Cu2 Mo8 N16 O26 -","- C120 H124 Cu4 Mo16 N32 O52 -","2","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.08","0.0422","","","0.0757","0.0887","","","","","","0.959","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218061","17.359","0.0006","12.5591","0.0004","25.123","0.0007","90","","90","","90","","5477.2","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H40 Cu2 Mo6 N12 O19 -","- C48 H40 Cu2 Mo6 N12 O19 -","- C192 H160 Cu8 Mo24 N48 O76 -","4","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.082","0.0438","","","0.0716","0.0861","","","","","","0.987","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218062","10.4332","0.0002","15.1148","0.0003","20.2219","0.0005","90","","109.501","0.002","90","","3005.98","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Cu2 Mo8 N12 O28 -","- C48 H40 Cu2 Mo8 N12 O26 -","- C96 H80 Cu4 Mo16 N24 O52 -","2","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.0354","0.0259","","","0.0604","0.0658","","","","","","1.022","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218063","15.307","0.003","21.194","0.004","15.805","0.003","90","","110.53","0.03","90","","4801.8","1.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H70 Cu4 Mo8 N24 O29 -","- C80 H64 Cu4 Mo8 N24 O29 -","- C160 H128 Cu8 Mo16 N48 O58 -","2","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.063","0.0417","","","0.0835","0.091","","","","","","1.02","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218064","14.8527","0.0006","15.7723","0.0005","17.4004","0.0006","72.343","0.003","66.337","0.004","63.668","0.003","3306.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H96 Cu4 Mo16 N24 O60 -","- C96 H80 Cu4 Mo16 N24 O60 -","- C96 H80 Cu4 Mo16 N24 O60 -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.1508","0.0721","","","0.1292","0.1706","","","","","","1.008","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218065","22.82","0.005","14.239","0.003","25.933","0.005","90","","91.55","0.03","90","","8423","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H62 Cu4 Mo8 N18 O27 -","- C72 H60 Cu4 Mo8 N18 O27 -","- C288 H240 Cu16 Mo32 N72 O108 -","4","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.131","0.0608","","","0.1101","0.1326","","","","","","1.02","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218066","13.7656","0.0006","14.8306","0.0006","16.0531","0.0005","117.47","0.003","109.431","0.003","91.167","0.003","2682.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H80 Cu4 Mo8 N24 O26 -","- C96 H80 Cu4 Mo8 N24 O26 -","- C96 H80 Cu4 Mo8 N24 O26 -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.1123","0.0586","","","0.1202","0.1471","","","","","","0.957","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218072","9.7465","0.0002","14.0652","0.0004","15.5029","0.0004","90","","93.217","0.001","90","","2121.89","0.09","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetrabutylphosphonium hexafluorophosphate","","","- C16 H36 F6 P2 -","- C16 H36 F6 P2 -","- C64 H144 F24 P8 -","4","1","","Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko","The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium).","Physical chemistry chemical physics : PCCP","2014","16","43","23616","23626","10.1039/c4cp03391d","","","0.71073","MoKα","","0.0435","0.0398","","","0.1041","0.1065","","","","","","1.06","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218073","9.8567","0.0012","14.1385","0.0017","15.777","0.002","90","","92.422","0.003","90","","2196.7","0.5","243","","243","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetrabutylphosphonium hexafluorophosphate","","","- C16 H36 F6 P2 -","- C16 H36 F5.98 P2 -","- C64 H144 F23.92 P8 -","4","1","","Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko","The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium).","Physical chemistry chemical physics : PCCP","2014","16","43","23616","23626","10.1039/c4cp03391d","","","0.71073","MoKα","","0.0849","0.0624","","","0.184","0.2073","","","","","","1.098","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218074","9.9807","0.0009","13.8901","0.0015","16.2367","0.0016","90","","90","","90","","2250.9","0.4","273","","273","","","","","","","","","4","P m c n","-P 2n 2a","62","tetrabutylphosphonium hexafluorophosphate","","","- C16 H36 F6 P2 -","- C16 H36 F6.0008 P2 -","- C64 H144 F24.0032 P8 -","4","0.5","","Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko","The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium).","Physical chemistry chemical physics : PCCP","2014","16","43","23616","23626","10.1039/c4cp03391d","","","0.71073","MoKα","","0.1426","0.0951","","","0.3034","0.3493","","","","","","1.137","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218075","15.142","0.017","15.142","0.017","15.142","0.017","90","","90","","90","","3472","7","333","","333","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","tetrabutylphosphonium hexafluorophosphate","","","- C12 F6 P2 -","- C12 F6 P2 -","- C72 F36 P12 -","6","0.125","","Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko","The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium).","Physical chemistry chemical physics : PCCP","2014","16","43","23616","23626","10.1039/c4cp03391d","","","0.71073","MoKα","","0.4106","0.3071","","","0.657","0.7083","","","","","","1.812","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218076","13.918","0.018","11.138","0.014","14.314","0.017","90","","110.04","0.02","90","","2085","5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 O -","- C28 H24 N2 O -","- C112 H96 N8 O4 -","4","1","","Yuan, Zeli; Yang, Xiaoqing; Wang, Lei; Huang, Jiandong; Wei, Gang","Efficient synthesis of new asymmetric tripodal ligands using microwave irradiation, and their crystal structures","RSC Adv.","2014","4","79","42211","","10.1039/C4RA07346K","","","0.71073","MoKα","","0.1417","0.0819","","","0.2291","0.2617","","","","","","0.966","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218077","13.197","0.011","11.102","0.009","14.265","0.012","90","","111.786","0.014","90","","1941","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C96 H88 N8 O4 -","4","1","","Yuan, Zeli; Yang, Xiaoqing; Wang, Lei; Huang, Jiandong; Wei, Gang","Efficient synthesis of new asymmetric tripodal ligands using microwave irradiation, and their crystal structures","RSC Adv.","2014","4","79","42211","","10.1039/C4RA07346K","","","0.71073","MoKα","","0.079","0.0444","","","0.1227","0.1374","","","","","","0.999","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218078","9.929","0.01","12.099","0.012","16.261","0.016","90","","96.512","0.011","90","","1941","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Yuan, Zeli; Yang, Xiaoqing; Wang, Lei; Huang, Jiandong; Wei, Gang","Efficient synthesis of new asymmetric tripodal ligands using microwave irradiation, and their crystal structures","RSC Adv.","2014","4","79","42211","","10.1039/C4RA07346K","","","0.71073","MoKα","","0.0785","0.0513","","","0.141","0.1533","","","","","","0.937","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218079","16.417","0.002","16.417","0.002","6.598","0.002","90","","90","","90","","1778.3","0.6","298","2","298","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C28 H40 Cu N5 O7 -","- C28 H32 Cu N5 O7 -","- C56 H64 Cu2 N10 O14 -","2","0.25","","Wu, Jian; Liu, Jian-Qiang; Jia, Zhen-Bin; Li, Qing-Lin; Li, Kai-Bang; Li, Hao; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier","A new 3D four-fold interpenetrateddia-like polymer: gas sorption and computational analyses","CrystEngComm","2014","16","45","10410","","10.1039/C4CE01404A","","","0.71073","MoKα","","0.1116","0.0482","","","0.0823","0.0987","","","","","","1.008","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218080","11.18331","0.00013","12.02706","0.00013","15.06878","0.00016","91.5953","0.0009","91.9937","0.0009","96.6478","0.0009","2010.9","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 B F N2 O -","- C26 H18 B F N2 O -","- C104 H72 B4 F4 N8 O4 -","4","2","","Wesela-Bauman, Grzegorz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Charge transfer properties of two polymorphs of luminescent (2-fluoro-3-pyridyl)(2,2'-biphenyl)borinic 8-oxyquinolinate.","Physical chemistry chemical physics : PCCP","2014","16","41","22762","22774","10.1039/c4cp02606c","","","0.71073","MoKα","","0.0467","0.042","","0.0789","0.0759","0.0789","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218081","12.3765","0.0007","14.9478","0.0009","21.9246","0.0013","90","","90","","90","","4056.1","0.4","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H18 B F N2 O -","- C26 H18 B F N2 O -","- C208 H144 B8 F8 N16 O8 -","8","2","","Wesela-Bauman, Grzegorz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Charge transfer properties of two polymorphs of luminescent (2-fluoro-3-pyridyl)(2,2'-biphenyl)borinic 8-oxyquinolinate.","Physical chemistry chemical physics : PCCP","2014","16","41","22762","22774","10.1039/c4cp02606c","","","0.71073","MoKα","","0.0476","0.0445","","0.1047","0.1031","0.1047","","","","","","0.9997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218082","16.0948","0.0011","21.1398","0.0015","17.9889","0.0012","90","","100.028","0.001","90","","6027.1","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H48 Cl9 Cu N6 O3 P2 -","- C57 H48 Cl9 Cu N6 O3 P2 -","- C228 H192 Cl36 Cu4 N24 O12 P8 -","4","1","","Campos, Jose Jesus; Baez, Alberto; Cruz, Adriana; Baldenebro, Adrian; Höpfl, Herbert; Glossman-Mitnik, Daniel; Parra, Miguel; Soto, Valentín Miranda","Synthesis, structure, characterization and photophysical properties of copper(I) complexes containing polypyridyl ligands","RSC Advances","2014","","","","","10.1039/C4RA06512C","","","0.71073","MoKα","","0.0716","0.0631","","","0.1588","0.165","","","","","","1.027","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218083","10.7485","0.0016","14.948","0.002","16.371","0.003","86.29","0.002","73.06","0.002","70.947","0.002","2377","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H44 Cu N7 O4 P2 -","- C54 H44 Cu N7 O4 P2 -","- C108 H88 Cu2 N14 O8 P4 -","2","1","","Campos, Jose Jesus; Baez, Alberto; Cruz, Adriana; Baldenebro, Adrian; Höpfl, Herbert; Glossman-Mitnik, Daniel; Parra, Miguel; Soto, Valentín Miranda","Synthesis, structure, characterization and photophysical properties of copper(I) complexes containing polypyridyl ligands","RSC Advances","2014","","","","","10.1039/C4RA06512C","","","0.71073","MoKα","","0.0583","0.0529","","","0.1285","0.1316","","","","","","1.135","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218084","13.675","0.004","8.025","0.002","15.703","0.004","90","","100.008","0.008","90","","1697.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Br N2 O2 S -","- C18 H13 Br N2 O2 S -","- C72 H52 Br4 N8 O8 S4 -","4","1","","Ray, Jayanta K.; Dhara, Shubhendu; Singha, Raju; Mandal, Haridas; Ahmed, Atiur; Ghosh, Munmun; Nuree, Yasin","Synthesis of α, β and γ-Carbolines via Pd-mediated Csp2-H/N-H activation","RSC Adv.","2014","","","","","10.1039/C4RA08457H","","","0.71073","MoKα","","0.0973","0.0504","","","0.1138","0.1352","","","","","","1.061","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218085","11.494","0.003","8.262","0.002","17.581","0.004","90","","103.742","0.008","90","","1621.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Br N2 O2 S -","- C18 H13 Br N2 O2 S -","- C72 H52 Br4 N8 O8 S4 -","4","1","","Ray, Jayanta K.; Dhara, Shubhendu; Singha, Raju; Mandal, Haridas; Ahmed, Atiur; Ghosh, Munmun; Nuree, Yasin","Synthesis of α, β and γ-Carbolines via Pd-mediated Csp2-H/N-H activation","RSC Adv.","2014","","","","","10.1039/C4RA08457H","","","0.71073","MoKα","","0.1007","0.0566","","","0.1431","0.1971","","","","","","0.635","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218086","10.0704","0.0016","16.864","0.003","22.682","0.004","90","","90","","90","","3852","1.1","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C168 H176 N16 O24 S8 -","8","1","","Yang, Daoshan; Yan, Kelu; Wei, Wei; Tian, Laijin; Li, Qinghe; You, Jinmao; Wang, Hua","Metal-free n-Et4NBr-catalyzed radical cyclization of disulfides and alkynes leading to benzothiophenes under mild conditions","RSC Adv.","2014","","","","","10.1039/C4RA08260E","","","0.71073","MoKα","","0.068","0.0436","","","0.1054","0.1159","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218087","7.0356","0.0008","8.6624","0.0009","9.2989","0.001","95.068","0.003","94.509","0.003","97.725","0.003","557.03","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C30 H20 O4 -","2","1","","Ray, Jayanta K.; Dhara, Shubhendu; Singha, Raju; Ghosh, Munmun; Ahmed, Atiur; Nuree, Yasin; Das, Anuvab","Pd-free Sonogashira Coupling: One pot synthesis of Phthalide via domino Sonogashira coupling and 5-exo-dig cyclization","RSC Adv.","2014","","","","","10.1039/C4RA07639G","","","0.71073","MoKα","","0.045","0.0399","","","0.1005","0.107","","","","","","1.04","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218088","9.0885","0.0019","10.008","0.002","10.316","0.002","84.68","0.003","83.399","0.003","66.85","0.003","855.9","0.3","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H38 Ag N5 O7 -","- C33 H38 Ag N5 O7 -","- C33 H38 Ag N5 O7 -","1","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.0923","0.0841","","","0.1743","0.1811","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218089","10.9284","0.0012","13.1429","0.0014","23.209","0.002","90","","90","","90","","3333.5","0.6","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Ag N5 O8 -","- C32 H38 Ag N5 O8 -","- C128 H152 Ag4 N20 O32 -","4","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.096","0.0594","","","0.1467","0.1686","","","","","","1.073","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218090","9.1852","0.0015","10.2742","0.0017","10.3527","0.0017","84.69","0.002","83.518","0.002","65.526","0.002","882.4","0.3","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C33 H38 Ag Cl N4 O8 -","- C33 H38 Ag Cl N4 O8 -","- C33 H38 Ag Cl N4 O8 -","1","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.0864","0.0748","","","0.1597","0.1666","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218091","10.9131","0.0016","13.0435","0.0019","22.908","0.004","90","","90","","90","","3260.8","0.9","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Ag Cl N4 O9 -","- C32 H38 Ag Cl N4 O9 -","- C128 H152 Ag4 Cl4 N16 O36 -","4","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.0984","0.0748","","","0.156","0.1693","","","","","","1.025","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218092","13.6251","0.0014","14.7386","0.0015","16.4916","0.0017","90","","95.699","0.002","90","","3295.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 Cu2 Mo8 N12 O32 -","- C48 H46 Cu2 Mo8 N12 O32 -","- C96 H92 Cu4 Mo16 N24 O64 -","2","0.5","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Supramolecular interactions mediated conformational modulation of flexible linker leading to the isolation of a metallo-macrocycle in a polyoxometalate matrix: Hirshfeld surfaces and 2D fingerprint plots","CrystEngComm","2014","16","44","10300","","10.1039/C4CE01714E","","","0.71073","MoKα","","0.0914","0.0663","","","0.1372","0.1472","","","","","","1.099","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218093","21.8268","0.0005","3.9863","0.0001","7.1628","0.0002","90","","90","","90","","623.22","0.03","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C2 H Ag N2 O Pb S -","- C2 H Ag N2 O Pb S -","- C8 H4 Ag4 N8 O4 Pb4 S4 -","4","0.5","","Diana, Eliano; Gervasio, Giuliana; Priola, Emanuele; Bonometti, Elisabetta","A new heterometallic multiligand 3D coordination polymer: synthesis and structure of [Pb(OH)]n[Ag(SCN)(CN)]n","CrystEngComm","2014","16","43","10040","","10.1039/C4CE01424C","","","0.71073","MoKα","","0.0302","0.0245","","","0.0578","0.0608","","","","","","1.092","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218094","8.23","0.0002","11.8142","0.0003","17.1253","0.0003","90","","90","","90","","1665.11","0.07","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Br2 O2 -","- C20 H12 Br2 O2 -","- C80 H48 Br8 O8 -","4","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0342","0.0288","","","0.0676","0.0699","","","","","","1.047","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218095","9.0274","0.0002","20.4427","0.0004","14.5383","0.0003","90","","99.274","0.001","90","","2647.89","0.1","233","2","233","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 Br2 O6 -","- C28 H28 Br2 O6 -","- C112 H112 Br8 O24 -","4","2","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.056","0.042","","","0.0962","0.1021","","","","","","1.028","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218096","9.9622","0.0003","8.3317","0.0002","19.9628","0.0005","90","","98.208","0.001","90","","1639.98","0.08","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Br2 O2 -","- C20 H12 Br2 O2 -","- C80 H48 Br8 O8 -","4","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0389","0.0304","","","0.0724","0.0758","","","","","","1.042","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218097","9.8523","0.0003","10.1793","0.0003","13.922","0.0003","70.723","0.002","89.926","0.002","82.549","0.002","1305.53","0.06","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 Br2 O6 -","- C28 H28 Br2 O6 -","- C56 H56 Br4 O12 -","2","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0499","0.0357","","","0.0804","0.0851","","","","","","1.062","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218098","8.8364","0.0002","10.5814","0.0003","14.7993","0.0003","108.781","0.001","94.787","0.001","97.419","0.001","1287.54","0.05","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Br2 O6 -","- C28 H24 Br2 O6 -","- C56 H48 Br4 O12 -","2","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0514","0.0359","","","0.0815","0.0872","","","","","","1.039","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218099","10.5266","0.0005","13.6775","0.0007","14.9717","0.0006","65.299","0.004","89.444","0.005","84.799","0.005","1949.35","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(4Z,4'E,4""E)-4,4',4""-(((nitrilotris(ethane-2,1-diyl)tris (azanediyl))tris(methanylylidene))tris(3-methyl-1-(p-tolyl)- 1H-pyrazol-5(4H)-one","","- C42 H48 N10 O3 -","- C42 H48 N10 O3 -","- C84 H96 N20 O6 -","2","1","","Jadeja, Rajendrasinh; Parihar, Sanjay; Gupta, Vivek","C3 Symmetric vanadium(III) complexes with O,N-chelating hexadentate tripodal ligands of pyrazolone","RSC Adv.","2014","","","","","10.1039/C4RA04021J","","","0.71073","MoKα","","0.141","0.0595","","","0.1038","0.1335","","","","","","1.006","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218100","10.531","0.0011","12.233","0.0012","14.8664","0.0015","113.201","0.002","91.722","0.002","92.732","0.002","1755.8","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","4,4'-((1E,1'E)-((((2-(((Z)-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)azanediyl)bis(ethane-2,1-diyl))bis(azanylylidene))bis(methanylylidene))bis(3-methyl-1-phenyl-1H-pyrazol-5(4H)-one)","","- C39 H42 N10 O3 -","- C39 H42 N10 O3 -","- C78 H84 N20 O6 -","2","1","","Jadeja, Rajendrasinh; Parihar, Sanjay; Gupta, Vivek","C3 Symmetric vanadium(III) complexes with O,N-chelating hexadentate tripodal ligands of pyrazolone","RSC Adv.","2014","","","","","10.1039/C4RA04021J","","","0.71073","MoKα","","0.1117","0.1013","","","0.2407","0.2476","","","","","","1.147","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218101","15.5913","0.0004","15.5913","0.0004","10.147","0.0003","90","","90","","120","","2136.16","0.1","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","4,4',4''-((1E,1'E,1''E)-((nitrilotris(ethane-2,1-diyl))tris (azanylylidene))tris(methanylylidene))tris(3-methyl-1- (p-tolyl)-1H-pyrazol-5-ol)vanadium(III)","","- C45 H52 N11 O4 V -","- C45 H52.02 N11 O3.99 V -","- C90 H104.04 N22 O7.98 V2 -","2","0.333333","","Jadeja, Rajendrasinh; Parihar, Sanjay; Gupta, Vivek","C3 Symmetric vanadium(III) complexes with O,N-chelating hexadentate tripodal ligands of pyrazolone","RSC Adv.","2014","","","","","10.1039/C4RA04021J","","","1.54184","CuKα","","0.0507","0.0456","","","0.1312","0.1368","","","","","","1.048","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218102","12.553","0.0006","8.4912","0.0006","24.4976","0.0013","90","","100.436","0.003","90","","2568","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cu N4 O8 -","- C24 H22 Cu N4 O8 -","- C96 H88 Cu4 N16 O32 -","4","0.5","","Baruah, Jubaraj Bikash; Kirillov, Alexander M.; Nath, Jayanta K.","Unusual solvent-mediated hydrolysis of dicarboxylate monoester ligands in copper(II) complexes toward simultaneous crystallization of new dicarboxylate derivatives","RSC Adv.","2014","","","","","10.1039/C4RA05776G","","","0.71073","MoKα","","0.0337","0.0304","","","0.0588","0.06","","","","","","1.097","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218103","8.8941","0.0003","22.4052","0.0008","16.1449","0.0006","90","","105.428","0.002","90","","3101.33","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cu2 N8 O10 -","- C28 H28 Cu2 N8 O10 -","- C112 H112 Cu8 N32 O40 -","4","1","","Baruah, Jubaraj Bikash; Kirillov, Alexander M.; Nath, Jayanta K.","Unusual solvent-mediated hydrolysis of dicarboxylate monoester ligands in copper(II) complexes toward simultaneous crystallization of new dicarboxylate derivatives","RSC Adv.","2014","","","","","10.1039/C4RA05776G","","","0.71073","MoKα","","0.0981","0.0516","","","0.0779","0.0894","","","","","","1.077","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218104","8.5178","0.0013","26.117","0.004","9.9434","0.0016","90","","125.233","0.01","90","","1806.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cu N8 O8 -","- C38 H34 Cu N8 O8 -","- C76 H68 Cu2 N16 O16 -","2","0.5","","Baruah, Jubaraj Bikash; Kirillov, Alexander M.; Nath, Jayanta K.","Unusual solvent-mediated hydrolysis of dicarboxylate monoester ligands in copper(II) complexes toward simultaneous crystallization of new dicarboxylate derivatives","RSC Adv.","2014","","","","","10.1039/C4RA05776G","","","0.71073","MoKα","","0.1885","0.1598","","","0.3678","0.3781","","","","","","1.196","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218105","11.9671","0.0008","13.722","0.0006","12.2072","0.0008","90","","112.352","0.008","90","","1854","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 Cu2 N6 O12 -","- C36 H38 Cu2 N6 O12 -","- C72 H76 Cu4 N12 O24 -","2","0.5","","Baruah, Jubaraj Bikash; Kirillov, Alexander M.; Nath, Jayanta K.","Unusual solvent-mediated hydrolysis of dicarboxylate monoester ligands in copper(II) complexes toward simultaneous crystallization of new dicarboxylate derivatives","RSC Adv.","2014","","","","","10.1039/C4RA05776G","","","0.71073","MoKα","","0.0624","0.051","","","0.1369","0.1541","","","","","","1.013","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218106","8.077","0.002","12.926","0.003","17.252","0.004","90","","114.682","0.01","90","","1636.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cu N4 O8 -","- C36 H30 Cu N4 O8 -","- C72 H60 Cu2 N8 O16 -","2","0.5","","Baruah, Jubaraj Bikash; Kirillov, Alexander M.; Nath, Jayanta K.","Unusual solvent-mediated hydrolysis of dicarboxylate monoester ligands in copper(II) complexes toward simultaneous crystallization of new dicarboxylate derivatives","RSC Adv.","2014","","","","","10.1039/C4RA05776G","","","0.71073","MoKα","","0.0401","0.0311","","","0.094","0.1014","","","","","","1.059","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218107","7.0811","0.0006","7.1144","0.0007","9.8431","0.0008","106.946","0.008","91.245","0.007","119.145","0.009","406.26","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- B4 Ba Ga H3 O10 -","- B4 Ba Ga H3 O10 -","- B8 Ba2 Ga2 H6 O20 -","2","1","","Yang, Hui; Hu, Chun-Li; Song, Junling; Mao, Jianggao","β-BaGa[B4O8(OH)](H2O) and Ba4Ga[B10O18(OH)5](H2O): New Barium Galloborates Featuring Unusual [B4O8(OH)]5- and [B10O18(OH)5]11- Clusters","RSC Adv.","2014","","","","","10.1039/C4RA06564F","","","0.71073","MoKα","","0.0425","0.0386","","","0.0922","0.0982","","","","","","1.111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218108","7.0097","0.0003","12.2089","0.0005","22.5507","0.0009","90","","96.798","0.004","90","","1916.34","0.14","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- B10 Ba4 Ga H7 O24 -","- B10 Ba4 Ga H7 O24 -","- B40 Ba16 Ga4 H28 O96 -","4","1","","Yang, Hui; Hu, Chun-Li; Song, Junling; Mao, Jianggao","β-BaGa[B4O8(OH)](H2O) and Ba4Ga[B10O18(OH)5](H2O): New Barium Galloborates Featuring Unusual [B4O8(OH)]5- and [B10O18(OH)5]11- Clusters","RSC Adv.","2014","","","","","10.1039/C4RA06564F","","","0.71073","MoKα","","0.0221","0.0212","","","0.0414","0.0418","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218109","12.387","0.0016","14.2715","0.0019","14.5968","0.0019","72.05","0.004","69.143","0.004","71.181","0.004","2227.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H38 F2 N4 O4 -","- C51 H38 F2 N4 O4 -","- C102 H76 F4 N8 O8 -","2","1","","Xie, Ya-Jing; Sun, Jing; Yan, Chao Guo","Unprecedented formation of 2-oxaspiro[bicyclo[2.2.1]heptane-6,3'-indoline] derivatives from reaction of 3-phenacyalideneoxindole with malononitrile or ethyl cyanoacetate","RSC Adv.","2014","","","","","10.1039/C4RA06272H","","","0.71073","MoKα","","0.1449","0.0677","","","0.1595","0.1831","","","","","","1.03","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218110","12.598","0.003","14.608","0.003","14.773","0.003","107.152","0.006","102.115","0.006","110.323","0.006","2283.3","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H32 Cl4 N4 O4 -","- C49 H32 Cl4 N4 O4 -","- C98 H64 Cl8 N8 O8 -","2","1","","Xie, Ya-Jing; Sun, Jing; Yan, Chao Guo","Unprecedented formation of 2-oxaspiro[bicyclo[2.2.1]heptane-6,3'-indoline] derivatives from reaction of 3-phenacyalideneoxindole with malononitrile or ethyl cyanoacetate","RSC Adv.","2014","","","","","10.1039/C4RA06272H","","","0.71073","MoKα","","0.1748","0.0574","","","0.1275","0.1536","","","","","","0.904","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218111","14.488","0.003","17.229","0.003","17.887","0.004","88.517","0.005","70.954","0.005","81.751","0.005","4175.7","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H42 Cl2 N4 O6 -","- C45 H42 Cl2 N4 O6 -","- C180 H168 Cl8 N16 O24 -","4","2","","Xie, Ya-Jing; Sun, Jing; Yan, Chao Guo","Unprecedented formation of 2-oxaspiro[bicyclo[2.2.1]heptane-6,3'-indoline] derivatives from reaction of 3-phenacyalideneoxindole with malononitrile or ethyl cyanoacetate","RSC Adv.","2014","","","","","10.1039/C4RA06272H","","","0.71073","MoKα","","0.1797","0.0693","","","0.1853","0.2235","","","","","","0.931","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218112","11.1491","0.0015","14.4233","0.0019","16.278","0.002","92.642","0.004","90.979","0.004","111.404","0.004","2432.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H45 N3 O6 -","- C53 H45 N3 O6 -","- C106 H90 N6 O12 -","2","1","","Xie, Ya-Jing; Sun, Jing; Yan, Chao Guo","Unprecedented formation of 2-oxaspiro[bicyclo[2.2.1]heptane-6,3'-indoline] derivatives from reaction of 3-phenacyalideneoxindole with malononitrile or ethyl cyanoacetate","RSC Adv.","2014","","","","","10.1039/C4RA06272H","","","0.71073","MoKα","","0.1251","0.0673","","","0.1787","0.2008","","","","","","1.016","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218113","9.52","0.0011","11.317","0.0012","20.585","0.002","95.648","0.003","102.202","0.003","112.343","0.003","1965.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N3 O3 -","- C22 H19 N3 O3 -","- C88 H76 N12 O12 -","4","2","","Xie, Ya-Jing; Sun, Jing; Yan, Chao Guo","Unprecedented formation of 2-oxaspiro[bicyclo[2.2.1]heptane-6,3'-indoline] derivatives from reaction of 3-phenacyalideneoxindole with malononitrile or ethyl cyanoacetate","RSC Adv.","2014","","","","","10.1039/C4RA06272H","","","0.71073","MoKα","","0.1682","0.0806","","","0.1887","0.2298","","","","","","1.017","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218114","9.7982","0.0014","10.562","0.0014","11.3755","0.0015","84.953","0.004","81.586","0.004","79.358","0.004","1142.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 O3 -","- C26 H21 N3 O3 -","- C52 H42 N6 O6 -","2","1","","Xie, Ya-Jing; Sun, Jing; Yan, Chao Guo","Unprecedented formation of 2-oxaspiro[bicyclo[2.2.1]heptane-6,3'-indoline] derivatives from reaction of 3-phenacyalideneoxindole with malononitrile or ethyl cyanoacetate","RSC Adv.","2014","","","","","10.1039/C4RA06272H","","","0.71073","MoKα","","0.0751","0.0491","","","0.1205","0.1307","","","","","","1.038","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218115","9.893","0.005","10.872","0.006","13.772","0.007","84.911","0.016","70.201","0.015","80.21","0.016","1372.6","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cl N3 O3 -","- C27 H22 Cl N3 O3 -","- C54 H44 Cl2 N6 O6 -","2","1","","Xie, Ya-Jing; Sun, Jing; Yan, Chao Guo","Unprecedented formation of 2-oxaspiro[bicyclo[2.2.1]heptane-6,3'-indoline] derivatives from reaction of 3-phenacyalideneoxindole with malononitrile or ethyl cyanoacetate","RSC Adv.","2014","","","","","10.1039/C4RA06272H","","","0.71073","MoKα","","0.2177","0.0791","","","0.1841","0.2168","","","","","","0.921","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218116","10.047","0.002","11.306","0.002","12.199","0.002","90","","90","","90","","1385.7","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C60 H72 N8 O4 -","4","1","","Wang, Hua; Wei, Wei; Wen, Jiangwei; Yang, Daoshan; Guo, Mengyuan; Tian, Laijin; You, Jinmao","Copper-catalyzed cyanoalkylarylation of activated alkenes with AIBN: a convenient and efficient approach to cyano-containing oxindoles","RSC Adv.","2014","","","","","10.1039/C4RA09022E","","","0.71073","MoKα","","0.0496","0.0434","","","0.1044","0.1083","","","","","","1.049","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218117","9.3677","0.0015","11.2409","0.0017","14.585","0.002","72.567","0.002","73.543","0.002","78.799","0.002","1395.2","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 O2 S2 -","- C32 H36 N2 O2 S2 -","- C64 H72 N4 O4 S4 -","2","1","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.0873","0.0495","","","0.1026","0.1186","","","","","","0.803","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218118","9.366","0.003","14.783","0.005","15.276","0.005","113.609","0.005","100.615","0.006","92.18","0.005","1890.1","1.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 N2 O2 S2 -","- C42 H56 N2 O2 S2 -","- C84 H112 N4 O4 S4 -","2","1","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.1171","0.0583","","","0.0987","0.1192","","","","","","0.867","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218119","10.636","0.003","9.486","0.003","15.273","0.004","90","","104.878","0.005","90","","1489.3","0.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N2 O2 S2 -","- C34 H40 N2 O2 S2 -","- C68 H80 N4 O4 S4 -","2","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.1477","0.051","","","0.0614","0.0805","","","","","","0.705","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218120","11.1","0.0014","9.2665","0.0011","16.096","0.002","90","","108.132","0.002","90","","1573.4","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C72 H88 N4 O4 S4 -","2","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.0563","0.0404","","","0.0832","0.0892","","","","","","0.956","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218121","9.3276","0.0014","13.142","0.0019","15.226","0.002","108.135","0.003","100.865","0.003","98.281","0.002","1700.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N2 O2 S2 -","- C38 H48 N2 O2 S2 -","- C76 H96 N4 O4 S4 -","2","1","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.1371","0.0515","","","0.0827","0.1129","","","","","","0.69","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218122","9.3051","0.0006","14.0599","0.0009","14.9553","0.0009","80.646","0.001","75.132","0.001","72.905","0.001","1799.5","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 N2 O2 S2 -","- C40 H52 N2 O2 S2 -","- C80 H104 N4 O4 S4 -","2","1","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.0779","0.0534","","","0.1254","0.1424","","","","","","0.982","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218123","7.8143","0.0005","9.4382","0.0006","15.2024","0.001","77.742","0.001","76.215","0.001","66.063","0.001","986.79","0.11","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 N2 O2 S2 -","- C44 H60 N2 O2 S2 -","- C44 H60 N2 O2 S2 -","1","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.0711","0.0448","","","0.0899","0.1209","","","","","","0.916","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218124","7.7725","0.0007","9.4508","0.0009","16.2932","0.0016","90.218","0.002","97.616","0.002","113.987","0.002","1081.63","0.18","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 N2 O2 S2 -","- C48 H68 N2 O2 S2 -","- C48 H68 N2 O2 S2 -","1","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.068","0.0476","","","0.1011","0.1255","","","","","","1.021","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218125","7.772","0.002","9.476","0.003","17.514","0.005","89.954","0.005","89.316","0.006","66.055","0.006","1178.8","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H76 N2 O2 S2 -","- C52 H76 N2 O2 S2 -","- C52 H76 N2 O2 S2 -","1","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.2059","0.0801","","","0.1493","0.2262","","","","","","0.861","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218126","7.7947","0.001","9.4518","0.0012","18.843","0.003","90.701","0.002","94.869","0.003","113.934","0.002","1262.6","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H84 N2 O2 S2 -","- C56 H84 N2 O2 S2 -","- C56 H84 N2 O2 S2 -","1","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.126","0.0491","","","0.0907","0.1467","","","","","","0.749","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218127","11.4551","0.0001","4.95346","0.00005","18.1676","0.0002","90","","90","","90","","1030.87","0.018","303","","303","","","","","","","","","4","P b c a","-P 2ac 2ab","61","BiGeO2(OH)2(NO3)","bisnuth germanium oxyhydroxy nitrate","","- Bi Ge N O7 -","- Bi Ge H N O7 -","- Bi8 Ge8 H8 N8 O56 -","8","1","","Kobayashi, Kiyoshi; Ikeda, Takuji; Hiyoshi, Norihito; Sakka, Yoshio","Discovery of a new crystalline phase: BiGeO2(OH)2(NO3)","CrystEngComm","2014","16","43","10080","","10.1039/C4CE01355G","powder diffraction","","1.54059","CuKα~1~","","0.00813","","","","","","0.00768","0.01331","1.9828","","","","","","","has coordinates","190823","2020-10-21","18:00:00",""
"7218128","9.4633","0.0004","12.6496","0.0004","10.8834","0.0004","90","","104.267","0.004","90","","1262.64","0.08","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","p-xylylenebis(thioacetic) acid","","- C12 H14 O4 S2 -","- C12 H14 O4 S2 -","- C48 H56 O16 S8 -","4","0.5","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0341","0.032","","","0.0817","0.0841","","","","","","1.153","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218129","17.6366","0.0018","4.8355","0.0005","15.593","0.0017","90","","96.069","0.01","90","","1322.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N6 O4 S2 -","- C24 H32 N6 O4 S2 -","- C48 H64 N12 O8 S4 -","2","0.5","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0721","0.0579","","","0.1489","0.1565","","","","","","1.041","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218130","20.968","0.003","4.7107","0.0005","14.4013","0.0016","90","","95.307","0.01","90","","1416.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N6 O6 S2 -","- C24 H36 N6 O6 S2 -","- C48 H72 N12 O12 S4 -","2","0.5","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0989","0.0651","","","0.1371","0.1534","","","","","","1.105","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218131","32.932","0.007","7.9668","0.0016","15.275","0.003","90","","90","","90","","4007.6","1.4","100","2","100","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H23 N3 O4 S2 -","- C18 H23 N3 O4 S2 -","- C144 H184 N24 O32 S16 -","8","","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0576","0.0351","","","0.0758","0.0806","","","","","","0.903","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218132","41.056","0.001","10.517","0.0005","22.3769","0.0009","90","","118.092","0.002","90","","8523.8","0.6","203","2","203","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","3H-Phenanthro[9,10-d]oxazol-2-one","","- C15 H9 N O2 -","- C15 H9 N O2 -","- C480 H288 N32 O64 -","32","4","","Speier, Gábor; Bors, István; Kaizer, József; Giorgi, Michel","Carbon dioxide as a primary oxidant and a C1 building block","RSC Adv.","2014","","","","","10.1039/C4RA06462C","","x-ray","0.71073","MoKα","","0.2353","0.0865","","","0.2074","0.3028","","","","","","0.961","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7218133","5.5044","0.0007","10.0817","0.0008","10.2203","0.0013","90","","93.142","0.01","90","","566.31","0.11","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N,N-hydroxydimethylglycine","2-(hydroxydimethylammonio)acetate","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Oxidative stress of H2O2on N,N-dimethylglycine: formation of perhydrate crystals and more","CrystEngComm","2014","16","44","10165","","10.1039/C4CE01835D","","","0.71073","MoKα","","0.0549","0.0376","","","0.0971","0.1025","","","","","","1.032","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218134","10.3838","0.0005","5.7184","0.0003","11.4118","0.0007","90","","90","","90","","677.62","0.06","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N,N-dimethylglycine","2-(Dimethylamino)acetate perhydrate","","- C4 H11 N O4 -","- C4 H11 N O4 -","- C16 H44 N4 O16 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Oxidative stress of H2O2on N,N-dimethylglycine: formation of perhydrate crystals and more","CrystEngComm","2014","16","44","10165","","10.1039/C4CE01835D","","","0.71073","MoKα","","0.0671","0.0415","","","0.0806","0.0915","","","","","","1.058","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218135","12.332","0.0004","9.9903","0.0003","5.80218","0.00016","90","","90","","90","","714.83","0.04","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","N,N,N-hydroxydimethylglycine","2-(hydroxydimethylammonio)acetate perhydrate","","- C4 H11 N O5 -","- C4 H11 N O5 -","- C16 H44 N4 O20 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Oxidative stress of H2O2on N,N-dimethylglycine: formation of perhydrate crystals and more","CrystEngComm","2014","16","44","10165","","10.1039/C4CE01835D","","","0.71073","MoKα","","0.0343","0.0308","","","0.0777","0.08","","","","","","1.043","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218136","8.5299","0.0003","6.0689","0.0002","13.7293","0.0005","90","","91.554","0.002","90","","710.46","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C34 H40 N4 -","2","1","","Kang, Philjun; Lee, Kyu Myung; Lee, Won Koo; Lee, Kyu Hyung; Lee, Byeongno; Cho, Jaeheung; Hur, Nam","One-pot Solvent-Free Reductive Amination with a Solid Ammonium Carbamate Salt from CO2 and Amine","RSC Adv.","2014","","","","","10.1039/C4RA07558G","","","0.71073","MoKα","","0.0438","0.0353","","","0.093","0.1008","","","","","","0.641","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218137","9.5418","0.0004","11.272","0.0008","12.7837","0.0007","112.512","0.006","90.364","0.004","91.241","0.005","1269.72","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N2 O8 Zn -","- C26 H26 N2 O8 Zn -","- C52 H52 N4 O16 Zn2 -","2","1","","Ren, Hai-Yun; Han, Cai-Yun; Qu, Mei; Zhang, Xian-Ming","Luminescent Group 12 Metal Tetracarboxylate Networks for Probe Metal Ions","RSC Adv.","2014","","","","","10.1039/C4RA05275G","","","0.71073","MoKα","","0.0521","0.0389","","","0.0811","0.0867","","","","","","1.052","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218138","13.5667","0.001","9.5666","0.0008","23.1432","0.0018","90","","122.672","0.006","90","","2528.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cd N2 O9 -","- C26 H28 Cd N2 O9 -","- C104 H112 Cd4 N8 O36 -","4","1","","Ren, Hai-Yun; Han, Cai-Yun; Qu, Mei; Zhang, Xian-Ming","Luminescent Group 12 Metal Tetracarboxylate Networks for Probe Metal Ions","RSC Adv.","2014","","","","","10.1039/C4RA05275G","","","0.71073","MoKα","","0.0638","0.0413","","","0.1067","0.1087","","","","","","1.045","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218139","11.2195","0.0004","15.817","0.0007","18.0989","0.0006","102.099","0.003","96.385","0.003","98.947","0.003","3067.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H32.5 Cd2.5 N1.5 O17.5 -","- C47.5 H32.5 Cd2.5 N1.5 O17.5 -","- C95 H65 Cd5 N3 O35 -","2","1","","Ren, Hai-Yun; Han, Cai-Yun; Qu, Mei; Zhang, Xian-Ming","Luminescent Group 12 Metal Tetracarboxylate Networks for Probe Metal Ions","RSC Adv.","2014","","","","","10.1039/C4RA05275G","","","0.71073","MoKα","","0.1227","0.0498","","","0.121","0.1521","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218140","11.5626","0.0005","13.4148","0.0004","11.3223","0.0005","90","","100.498","0.005","90","","1726.8","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 Br4 N3 O4 -","- C14 H7 Br4 N3 O4 -","- C56 H28 Br16 N12 O16 -","4","1","","Wang, Lei; Hu, Yanjing; Xu, Wenyan; pang, Yanyan; Liu, Faqian; Yang, Yu","Investigation of Hydrogen Bonding Patterns in A Series of Multi-component Molecular Solids Formed by Tetrabromoterephthalic Acid with Selected N-heterocycles","RSC Adv.","2014","","","","","10.1039/C4RA08452G","","","0.71073","MoKα","","0.0621","0.0383","","","0.068","0.076","","","","","","1.011","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218141","8.9459","0.001","9.0271","0.0009","12.5435","0.0011","72.408","0.009","87.358","0.009","73.572","0.01","925.31","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br4 N2 O5 -","- C15 H10 Br4 N2 O5 -","- C30 H20 Br8 N4 O10 -","2","1","","Wang, Lei; Hu, Yanjing; Xu, Wenyan; pang, Yanyan; Liu, Faqian; Yang, Yu","Investigation of Hydrogen Bonding Patterns in A Series of Multi-component Molecular Solids Formed by Tetrabromoterephthalic Acid with Selected N-heterocycles","RSC Adv.","2014","","","","","10.1039/C4RA08452G","","","0.71073","MoKα","","0.0602","0.0403","","","0.0803","0.0883","","","","","","1.041","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218142","10.2368","0.0006","11.7277","0.0007","12.9747","0.0007","72.509","0.005","86.189","0.005","73.802","0.005","1426.41","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Br4 N2 O9 -","- C26 H22 Br4 N2 O9 -","- C52 H44 Br8 N4 O18 -","2","1","","Wang, Lei; Hu, Yanjing; Xu, Wenyan; pang, Yanyan; Liu, Faqian; Yang, Yu","Investigation of Hydrogen Bonding Patterns in A Series of Multi-component Molecular Solids Formed by Tetrabromoterephthalic Acid with Selected N-heterocycles","RSC Adv.","2014","","","","","10.1039/C4RA08452G","","","0.71073","MoKα","","0.0746","0.0399","","","0.0697","0.0812","","","","","","1.007","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218143","17.4367","0.0005","11.5949","0.0002","18.1466","0.0011","90","","121.166","0.003","90","","3139.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 Br4 N6 O8 -","- C32 H16 Br4 N6 O8 -","- C128 H64 Br16 N24 O32 -","4","1","","Wang, Lei; Hu, Yanjing; Xu, Wenyan; pang, Yanyan; Liu, Faqian; Yang, Yu","Investigation of Hydrogen Bonding Patterns in A Series of Multi-component Molecular Solids Formed by Tetrabromoterephthalic Acid with Selected N-heterocycles","RSC Adv.","2014","","","","","10.1039/C4RA08452G","","","0.71073","MoKα","","0.0722","0.0434","","","0.0899","0.1032","","","","","","1.02","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7218144","7.832","0.0004","16.5732","0.0007","8.9252","0.0004","90","","100.132","0.004","90","","1140.44","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 Br2 N2 O5 -","- C8 H7 Br2 N2 O5 -","- C32 H28 Br8 N8 O20 -","4","1","","Wang, Lei; Hu, Yanjing; Xu, Wenyan; pang, Yanyan; Liu, Faqian; Yang, Yu","Investigation of Hydrogen Bonding Patterns in A Series of Multi-component Molecular Solids Formed by Tetrabromoterephthalic Acid with Selected N-heterocycles","RSC Adv.","2014","","","","","10.1039/C4RA08452G","","","0.71073","MoKα","","0.049","0.0345","","","0.0701","0.0762","","","","","","1.062","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218145","9.0669","0.0004","11.1569","0.0004","12.8684","0.0004","106.546","0.003","106.524","0.004","100.289","0.004","1147.58","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 Br12 N4 O12 -","- C34 H22 Br12 N4 O12 -","- C34 H22 Br12 N4 O12 -","1","0.5","","Wang, Lei; Hu, Yanjing; Xu, Wenyan; pang, Yanyan; Liu, Faqian; Yang, Yu","Investigation of Hydrogen Bonding Patterns in A Series of Multi-component Molecular Solids Formed by Tetrabromoterephthalic Acid with Selected N-heterocycles","RSC Adv.","2014","","","","","10.1039/C4RA08452G","","","0.71073","MoKα","","0.0543","0.0347","","","0.0564","0.0631","","","","","","1.018","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218146","8.1803","0.0008","8.7685","0.0007","8.9983","0.001","115.443","0.01","102.074","0.009","91.498","0.008","565.01","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Br2 N2 O2 -","- C9 H9 Br2 N2 O2 -","- C18 H18 Br4 N4 O4 -","2","1","","Wang, Lei; Hu, Yanjing; Xu, Wenyan; pang, Yanyan; Liu, Faqian; Yang, Yu","Investigation of Hydrogen Bonding Patterns in A Series of Multi-component Molecular Solids Formed by Tetrabromoterephthalic Acid with Selected N-heterocycles","RSC Adv.","2014","","","","","10.1039/C4RA08452G","","","0.71073","MoKα","","0.05","0.0347","","","0.0731","0.08","","","","","","1.063","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218147","8.899","0.0005","9.0236","0.0007","12.0472","0.0008","105.18","0.007","109.306","0.006","96.573","0.006","859.41","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H10 Br8 N4 O8 -","- C28 H12 Br8 N4 O8 -","- C28 H12 Br8 N4 O8 -","1","0.5","","Wang, Lei; Hu, Yanjing; Xu, Wenyan; pang, Yanyan; Liu, Faqian; Yang, Yu","Investigation of Hydrogen Bonding Patterns in A Series of Multi-component Molecular Solids Formed by Tetrabromoterephthalic Acid with Selected N-heterocycles","RSC Adv.","2014","","","","","10.1039/C4RA08452G","","","0.71073","MoKα","","0.0868","0.058","","","0.1419","0.1581","","","","","","1.042","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218148","7.7677","0.0011","13.5311","0.0018","7.9843","0.0011","90","","106.432","0.006","90","","804.92","0.19","150.15","","150.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","hexafluoronaphthalene","","- C10 H2 F6 -","- C10 H2 F6 -","- C40 H8 F24 -","4","1","","Loader, Jason R.; Libri, Stefano; Meijer, Anthony J. H. M.; Perutz, Robin N.; Brammer, Lee","Highly fluorinated naphthalenes and bifurcated C‒H⋯F‒C hydrogen bonding","CrystEngComm","2014","16","41","9711","","10.1039/C4CE01322K","","","0.71073","MoKα","","0.0686","0.0403","","","0.107","0.1294","","","","","","1.042","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218149","8.5748","0.0017","3.6622","0.0007","12.423","0.003","90","","93.08","0.03","90","","389.55","0.14","100.15","","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","pentafluoronaphthalene","","- C10 H3 F5 -","- C10 H3 F5 -","- C20 H6 F10 -","2","0.5","","Loader, Jason R.; Libri, Stefano; Meijer, Anthony J. H. M.; Perutz, Robin N.; Brammer, Lee","Highly fluorinated naphthalenes and bifurcated C‒H⋯F‒C hydrogen bonding","CrystEngComm","2014","16","41","9711","","10.1039/C4CE01322K","","","0.71073","MoKα","","0.0967","0.082","","","0.2151","0.2234","","","","","","1.102","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218150","25.951","0.003","11.8662","0.0014","20.436","0.004","90","","125.847","0.006","90","","5101","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H11 N O8.5 Zn -","- C20 H11 N O8.83 Zn -","- C160 H88 N8 O70.64 Zn8 -","8","1","","Jiang, Xiaoli; Liu, Yanhong; Wu, Pengyan; Wang, Lei; Wang, Qiyuan; Zhu, Guangzhou; Li, Xiu-Ling; Jian, Wang","Metal-organic Framework with 9-Phenylcarbazole Moiety as a Fluorescent Tag for Picric Acid Explosive Detection: Collaborating Electron Transfer, Hydrogen Bonding and Size Matching","RSC Advances","2014","4","88","47357","47360","10.1039/C4RA07067D","","","0.71073","MoKα","","0.1258","0.0775","","","0.2419","0.275","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218151","7.1626","0.0002","14.9639","0.0003","7.9231","0.0002","90","","109.394","0.003","90","","801.02","0.04","104.8","0.4","104.8","0.4","","","","","","","","4","I 1 a 1","I -2ya","9","2-ethylpyridine-4-carbothioamide","","","- C8 H10 N2 S -","- C8 H10 N2 S -","- C32 H40 N8 S4 -","4","1","","Gnanasekaran, Rajalakshmi; Pavan, Mysore Srinivas; Kumaradhas, Poomani","Charge Density Distribution and Electrostatic Interactions of Ethionamide: An Inhibitor of enoyl acyl carrier protein reductase (inhA) enzyme of Mycobacterium tuberculosis","RSC Adv.","2014","","","","","10.1039/C4RA07953A","","x-ray","0.7107","MoKα","","0.0191","0.0179","","","","0.042","","","","","","1.1847","","","","has coordinates","192341","2020-10-21","18:00:00",""
"7218152","10.97","0.05","11.299","0.004","9.022","0.004","90","","92.4","0.3","90","","1117","5","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl3 N O4 S -","- C6 H10 Cl3 N O4 S -","- C24 H40 Cl12 N4 O16 S4 -","4","1","","Campos, Jesus; Goforth, Sarah K.; Crabtree, Robert H.; Gunnoe, T. Brent","Metal-Free Amidation of Ether sp3 C‒H Bonds with Sulfonamides using PhI(OAc)2","RSC Adv.","2014","","","","","10.1039/C4RA09665G","","","1.54178","CuKα","","0.1049","0.0784","","","0.1991","0.215","","","","","","1.064","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218153","7.9569","0.0005","10.2188","0.0004","14.1417","0.001","90","","97.438","0.007","90","","1140.19","0.12","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cl N O3 S -","- C10 H12 Cl N O3 S -","- C40 H48 Cl4 N4 O12 S4 -","4","1","","Campos, Jesus; Goforth, Sarah K.; Crabtree, Robert H.; Gunnoe, T. Brent","Metal-Free Amidation of Ether sp3 C‒H Bonds with Sulfonamides using PhI(OAc)2","RSC Adv.","2014","","","","","10.1039/C4RA09665G","","","0.71073","MoKα","","0.0731","0.0364","","","0.0809","0.0938","","","","","","0.992","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218154","14.4775","0.0015","10.2636","0.0007","11.6608","0.0009","90","","110.253","0.008","90","","1625.6","0.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 Cl6 N2 O6 S2 -","- C5 H8 Cl6 N2 O6 S2 -","- C20 H32 Cl24 N8 O24 S8 -","4","1","","Campos, Jesus; Goforth, Sarah K.; Crabtree, Robert H.; Gunnoe, T. Brent","Metal-Free Amidation of Ether sp3 C‒H Bonds with Sulfonamides using PhI(OAc)2","RSC Adv.","2014","","","","","10.1039/C4RA09665G","","","1.54178","CuKα","","0.1379","0.0974","","","0.2463","0.2853","","","","","","1.134","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218155","10.2017","0.0002","13.6673","0.0004","16.8782","0.0014","90","","118.8","0.005","90","","2062.2","0.2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cl3 N O6 S -","- C15 H22 Cl3 N O6 S -","- C60 H88 Cl12 N4 O24 S4 -","4","1","","Campos, Jesus; Goforth, Sarah K.; Crabtree, Robert H.; Gunnoe, T. Brent","Metal-Free Amidation of Ether sp3 C‒H Bonds with Sulfonamides using PhI(OAc)2","RSC Adv.","2014","","","","","10.1039/C4RA09665G","","","1.54178","CuKα","","0.0455","0.0447","","","0.122","0.1227","","","","","","1.053","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218156","11.4883","0.0006","9.6632","0.0005","16.1106","0.0008","90","","101.252","0.002","90","","1754.12","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cl2 N6 O10 S2 -","- C34 H30 Cl2 N6 O10 S2 -","- C68 H60 Cl4 N12 O20 S4 -","2","0.5","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0818","0.0427","","0.1082","0.0465","0.0465","","","","","","1.0761","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218157","9.7483","0.0004","10.4805","0.0004","14.1432","0.0005","96.253","0.002","93.883","0.002","114.448","0.002","1297.39","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl N4 O6 S2 -","- C24 H25 Cl N4 O6 S2 -","- C48 H50 Cl2 N8 O12 S4 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0651","0.0446","","0.0753","0.0452","0.0452","","","","","","1.1186","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218158","7.3552","0.0009","9.3457","0.0011","18.124","0.002","80.525","0.006","82.376","0.006","75.758","0.006","1185.5","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cl N4 O6 S -","- C23 H23 Cl N4 O6 S -","- C46 H46 Cl2 N8 O12 S2 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0604","0.0417","","0.0601","0.0447","0.0447","","","","","","1.0771","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218159","6.751","0.0005","9.5719","0.0006","18.6178","0.0013","84.977","0.004","89.783","0.004","73.488","0.004","1148.76","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 Cl N4 O6 S -","- C23 H22 Cl N4 O6 S -","- C46 H44 Cl2 N8 O12 S2 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0882","0.0673","","0.0913","0.064","0.064","","","","","","0.9645","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218160","7.3972","0.0007","9.3373","0.0008","18.1141","0.0016","80.504","0.004","82.039","0.004","75.173","0.004","1186.81","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl N4 O6 S -","- C24 H24 Cl N4 O6 S -","- C48 H48 Cl2 N8 O12 S2 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.06","0.0454","","0.0684","0.0482","0.0423","","","","","","1.0302","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218161","6.9302","0.0004","9.9356","0.0006","18.6298","0.0011","83.633","0.003","89.624","0.003","72.794","0.003","1217.34","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl N4 O6 S -","- C25 H22 Cl N4 O6 S -","- C50 H44 Cl2 N8 O12 S2 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0543","0.0436","","0.0477","0.0366","0.0366","","","","","","1.0981","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218162","6.3978","0.0004","21.3089","0.0014","13.6408","0.001","90","","98.903","0.002","90","","1837.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H33 Cd N5 O10 S -","- C36 H31 Cd N5 O10 S -","- C72 H62 Cd2 N10 O20 S2 -","2","1","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0579","0.0436","","","0.1035","0.119","","","","","","1.033","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218163","12.9722","0.0007","17.3507","0.001","14.0501","0.0008","90","","110.423","0.001","90","","2963.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H54 Cd2 N10 O14 -","- C60 H54 Cd2 N10 O14 -","- C120 H108 Cd4 N20 O28 -","2","0.5","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0476","0.0329","","","0.09","0.1086","","","","","","1.065","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218164","10.1545","0.0006","11.6885","0.0007","12.5788","0.0007","83.2","0.001","88.499","0.001","69.273","0.001","1386.34","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H48 Cd2 N8 O14 -","- C62 H44 Cd2 N8 O14 -","- C62 H44 Cd2 N8 O14 -","1","0.5","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0412","0.0346","","","0.0957","0.1078","","","","","","1.112","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218165","14.6526","0.0012","10.0981","0.0009","16.1913","0.0013","90","","90","","90","","2395.7","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H20 Cd N4 O6 -","- C27 H20 Cd N4 O6 -","- C108 H80 Cd4 N16 O24 -","4","1","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0611","0.0365","","","0.0618","0.0691","","","","","","1.01","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218166","11.6078","0.0014","12.295","0.0014","20.705","0.002","90","","101.496","0.002","90","","2895.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H48 Cd2 N8 O12 -","- C66 H48 Cd2 N8 O12 -","- C132 H96 Cd4 N16 O24 -","2","0.5","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0631","0.0367","","","0.0896","0.1147","","","","","","1.104","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218167","12.0856","0.0013","13.6274","0.0015","11.4059","0.0013","90","","91.489","0.002","90","","1877.9","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 N4 O6 P2 Pt -","- C40 H38 N4 O6 P2 Pt -","- C80 H76 N8 O12 P4 Pt2 -","2","0.5","","Zubatyuk, Roman I.; Sinelshchikova, Anna A.; Enakieva, Yulia Y.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Nefedov, Sergey E.; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Shishkin, Oleg V.","Insights into the crystal packing of phosphorylporphyrins based on the topology of their intermolecular interaction energies","CrystEngComm","2014","16","45","10428","","10.1039/C4CE01623H","","","0.71073","MoKα","","0.0366","0.0225","","","0.0576","0.0645","","","","","","1.026","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218168","13.151","0.005","13.187","0.005","13.28","0.005","91.426","0.006","110.824","0.005","107.172","0.005","2034.8","1.3","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H90 N8 Ni2 O12 P4 -","- C86 H90 N8 Ni2 O12 P4 -","- C86 H90 N8 Ni2 O12 P4 -","1","0.5","","Zubatyuk, Roman I.; Sinelshchikova, Anna A.; Enakieva, Yulia Y.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Nefedov, Sergey E.; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Shishkin, Oleg V.","Insights into the crystal packing of phosphorylporphyrins based on the topology of their intermolecular interaction energies","CrystEngComm","2014","16","45","10428","","10.1039/C4CE01623H","","","0.71073","MoKα","","0.1268","0.0806","","","0.227","0.246","","","","","","1.075","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218169","16.128","0.004","18.158","0.005","13.503","0.003","90","","113.57","0.003","90","","3624.5","1.6","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 N4 O6 P2 Pd -","- C40 H38 N4 O6 P2 Pd -","- C160 H152 N16 O24 P8 Pd4 -","4","0.5","","Zubatyuk, Roman I.; Sinelshchikova, Anna A.; Enakieva, Yulia Y.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Nefedov, Sergey E.; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Shishkin, Oleg V.","Insights into the crystal packing of phosphorylporphyrins based on the topology of their intermolecular interaction energies","CrystEngComm","2014","16","45","10428","","10.1039/C4CE01623H","","","0.71073","MoKα","","0.0932","0.0442","","","0.0793","0.094","","","","","","0.979","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218170","12.4567","0.0016","11.7829","0.0015","12.1147","0.0016","90","","91.889","0.002","90","","1777.2","0.4","153","2","153.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cd N4 O6 P2 -","- C40 H38 Cd N4 O6 P2 -","- C80 H76 Cd2 N8 O12 P4 -","2","0.5","","Zubatyuk, Roman I.; Sinelshchikova, Anna A.; Enakieva, Yulia Y.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Nefedov, Sergey E.; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Shishkin, Oleg V.","Insights into the crystal packing of phosphorylporphyrins based on the topology of their intermolecular interaction energies","CrystEngComm","2014","16","45","10428","","10.1039/C4CE01623H","","","0.71073","MoKα","","0.0461","0.0333","","","0.0768","0.0827","","","","","","0.967","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218171","11.8493","0.0006","11.0311","0.0005","18.2794","0.0007","90","","104.175","0.005","90","","2316.57","0.19","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 O3 S -","- C28 H22 N2 O3 S -","- C112 H88 N8 O12 S4 -","4","1","","Tan, Guangying; Huang, Xiaolei; Wu, Qian; Zhang, Luo-Qiang; You, Jingsong","Rh(III)-catalyzed annulation of N-methoxybenzamides with ynesulfonamides at room temperature: a practical and efficient route to 4-aminoisoquinolone derivatives","RSC Adv.","2014","","","","","10.1039/C4RA09500F","","","0.71073","MoKα","","0.0726","0.0492","","","0.1169","0.1317","","","","","","1.052","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218172","5.0392","0.0002","5.4022","0.0002","7.5864","0.0003","99.295","0.003","102.547","0.002","102.956","0.003","191.601","0.014","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C7 H10 O5 -","- C7 H10 O5 -","- C7 H10 O5 -","1","1","","Thiyagarajan, Shanmugam; Wu, Jing; Knoop, Rutger J.; Haveren, Jacco van; Lutz, Martin; ES, Daan van","Isohexide hydroxy esters: synthesis and application of a new class of biobased AB-type building blocks","RSC Adv.","2014","","","","","10.1039/C4RA07896A","","","0.71073","MoKα","","0.025","0.0247","","","0.0642","0.0646","","","","","","1.07","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218173","10.1846","0.0002","10.1846","0.0002","10.1846","0.0002","90","","90","","90","","1056.41","0.04","296","2","296","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","Three-dimensional Manganese Sulfate","","","- C0 H2.67 Mn0.67 N0.67 O4 S -","- H2.66667 Mn0.666667 N0.666667 O4 S -","- H32 Mn8 N8 O48 S12 -","12","1","","Behera, Jogendra Nath; Bhattacharjee, Joydeep; Horike, Satoshi; Marri, Subba Reddy; Dahiya, Prem","Synthesis and characterization of robust three-dimensional chiral metal sulfates","RSC Adv.","2014","","","","","10.1039/C4RA09471A","","","0.71073","MoKα","","0.0153","0.015","","","0.0378","0.0379","","","","","","1.03","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218174","10.0022","0.0008","10.0022","0.0008","10.0022","0.0008","90","","90","","90","","1000.66","0.14","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","Three-dimensional Manganese Sulfate","","","- C0 H2.67 Cl0 Mg0.67 N0.67 O4 S -","- H2.66667 Mg0.666667 N0.666667 O4 S -","- H32 Mg8 N8 O48 S12 -","12","1","","Behera, Jogendra Nath; Bhattacharjee, Joydeep; Horike, Satoshi; Marri, Subba Reddy; Dahiya, Prem","Synthesis and characterization of robust three-dimensional chiral metal sulfates","RSC Adv.","2014","","","","","10.1039/C4RA09471A","","","0.71073","MoKα","","0.0163","0.0162","","","0.044","0.0441","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218175","57.264","0.002","9.8858","0.0002","22.2965","0.0008","90","","93.908","0.003","90","","12592.7","0.7","292","2","292","","","","","","","","","7","C 1 2/n 1","-C 2yac","15","","[N-(2-pyridinyle)diphenylephosphinic amide-kappa-O chlorotriphenyltin(IV)]","","- C35 H30 Cl N2 O P Sn -","- C35 H30 Cl N2 O P Sn -","- C560 H480 Cl16 N32 O16 P16 Sn16 -","16","2","","Gholivand, K.; Gholami, A.; Tizhoush, S. K.; Schenk, K. J.; Fadaei, F.; Bahrami, A.","Steric and electronic control over the structural diversity of N-(n-pyridinyl) diphenylphosphinic amides (n = 2 and 4) as difunctional ligands in triphenyltin(iv) adducts","RSC Adv.","2014","4","84","44509","","10.1039/C4RA06212D","","","0.71073","MoKα","","0.0377","0.0252","","","0.0561","0.0602","","","","","","1.023","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7218176","9.9181","0.0006","14.7686","0.0009","16.9564","0.001","82.955","0.005","81.181","0.005","74.541","0.005","2356.8","0.3","292","2","292","","","","","","","","","7","P -1","-P 1","2","","[N-(4-pyridinyle)diphenylephosphinic amide-kappa-N chlorotriphenyltin(IV)]. N-(4-pyridinyle)diphenylephosphinic amide","","- C52 H45 Cl N4 O2 P2 Sn -","- C52 H45 Cl N4 O2 P2 Sn -","- C104 H90 Cl2 N8 O4 P4 Sn2 -","2","1","","Gholivand, K.; Gholami, A.; Tizhoush, S. K.; Schenk, K. J.; Fadaei, F.; Bahrami, A.","Steric and electronic control over the structural diversity of N-(n-pyridinyl) diphenylphosphinic amides (n = 2 and 4) as difunctional ligands in triphenyltin(iv) adducts","RSC Adv.","2014","4","84","44509","","10.1039/C4RA06212D","","","0.71073","MoKα","","0.0699","0.0491","","","0.1275","0.1557","","","","","","1.048","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218177","10.4858","0.0003","18.8309","0.0006","4.813","0.0002","90","","90","","90","","950.36","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H6 N4 O2 Zn -","- C9 H6 N4 O2 Zn -","- C36 H24 N16 O8 Zn4 -","4","1","","Calahorro, Antonio J.; Macchi, Piero; Salinas-Castillo, Alfonso; Sebastián, Eider San; Seco, José M.; Rodríguez-Diéguez, Antonio","Photoluminescence of the first examples of metal‒organic frameworks with two novel tetrazolatephenyl acetic acid derivatives: an experimental and theoretical study","CrystEngComm","2014","16","45","10492","","10.1039/C4CE00662C","","","0.71069","MoKα","","0.0386","0.0319","","","0.0731","0.0784","","","","","","1.08","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218178","18.5081","0.0005","4.823","0.0001","10.9635","0.0004","90","","90","","90","","978.65","0.05","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H6 N4 O2 Zn -","- C9 H6 N4 O2 Zn -","- C36 H24 N16 O8 Zn4 -","4","1","","Calahorro, Antonio J.; Macchi, Piero; Salinas-Castillo, Alfonso; Sebastián, Eider San; Seco, José M.; Rodríguez-Diéguez, Antonio","Photoluminescence of the first examples of metal‒organic frameworks with two novel tetrazolatephenyl acetic acid derivatives: an experimental and theoretical study","CrystEngComm","2014","16","45","10492","","10.1039/C4CE00662C","","","0.71069","MoKα","","0.0536","0.0347","","","0.058","0.0677","","","","","","1.049","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218179","8.093","0.005","9.502","0.005","12.751","0.005","82.472","0.005","82.927","0.005","86.586","0.005","963.8","0.9","295","","295","","","","","","","","","7","P -1","-P 1","2","","Tetrafluoro-1,4-diiodobenzene bis(N-(4-acetophenyl)-2-oxy-1-naphthaldiminato)-copper(ii)","","- C44 H28 Cu F4 I2 N2 O4 -","- C44 H28 Cu F4 I2 N2 O4 -","- C44 H28 Cu F4 I2 N2 O4 -","1","0.5","","Cinčić, Dominik; Friščić, Tomislav","Synthesis of an extended halogen-bonded metal‒organic structure in a one-pot mechanochemical reaction that combines covalent bonding, coordination chemistry and supramolecular synthesis","CrystEngComm","2014","16","44","10169","","10.1039/C4CE01815J","","","0.71073","MoKα","","0.058","0.0363","","","0.0879","0.0938","","","","","","0.985","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218183","12.0014","0.0007","7.104","0.0004","3.538","0.0002","90","","90","","90","","301.64","0.03","180","2","180","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C4 H4 Cl2 Co N2 -","- C4 H4 Cl2 Co N2 -","- C8 H8 Cl4 Co2 N4 -","2","0.125","","de Campos, Elvio Antonio; Silva, Nuno J. O.; Shi, Fa-Nian; Rocha, João","Cobalt(ii)‒pyrazine‒chloride coordination polymers: synthesis, reactivity and magnetic properties","CrystEngComm","2014","16","45","10439","","10.1039/C4CE01413H","","","0.71073","MoKα","","0.0309","0.0261","","","0.0634","0.0654","","","","","","1.14","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218184","7.1489","0.0006","7.1489","0.0006","10.6653","0.0017","90","","90","","90","","545.07","0.11","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C8 H8 Cl2 Co N4 -","- C8 H8 Cl2 Co N4 -","- C16 H16 Cl4 Co2 N8 -","2","0.25","","de Campos, Elvio Antonio; Silva, Nuno J. O.; Shi, Fa-Nian; Rocha, João","Cobalt(ii)‒pyrazine‒chloride coordination polymers: synthesis, reactivity and magnetic properties","CrystEngComm","2014","16","45","10439","","10.1039/C4CE01413H","","","0.71073","MoKα","","0.0509","0.0358","","","0.0763","0.0832","","","","","","1.068","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218185","7.1449","0.0011","7.1449","0.0011","10.633","0.002","90","","90","","90","","542.81","0.16","180","2","180","2","","","","","","","","5","I -4","I -4","82","","","","- C8 H8 Cl2 Co N4 -","- C8 H8 Cl2 Co N4 -","- C16 H16 Cl4 Co2 N8 -","2","0.25","","de Campos, Elvio Antonio; Silva, Nuno J. O.; Shi, Fa-Nian; Rocha, João","Cobalt(ii)‒pyrazine‒chloride coordination polymers: synthesis, reactivity and magnetic properties","CrystEngComm","2014","16","45","10439","","10.1039/C4CE01413H","","","0.71073","MoKα","","0.0879","0.042","","","0.0696","0.0834","","","","","","0.993","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218186","10.4759","0.0011","33.017","0.003","28.548","0.003","90","","97.288","0.001","90","","9794.5","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H77 Cd2 N11 O15 -","- C83 H77 Cd2 N11 O15 -","- C332 H308 Cd8 N44 O60 -","4","1","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1055","0.0617","","","0.1513","0.1602","","","","","","1.01","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7218187","11.853","0.006","12.385","0.006","21.013","0.01","90","","99.597","0.007","90","","3042","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N2 O6 Zn -","- C36 H28 N2 O6 Zn -","- C144 H112 N8 O24 Zn4 -","4","1","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1152","0.0462","","","0.0662","0.0751","","","","","","1.063","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218188","23.362","0.002","18.6642","0.0016","14.8125","0.0013","90","","90","","90","","6458.7","1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C72 H70 Cd N4 O18 -","- C72 H70 Cd N4 O18 -","- C288 H280 Cd4 N16 O72 -","4","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1613","0.0659","","","0.1488","0.1852","","","","","","0.847","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218189","13.1085","0.0012","16.6562","0.0016","13.6422","0.0014","90","","92.185","0.001","90","","2976.4","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 N4 O6 Zn -","- C33 H28 N4 O6 Zn -","- C132 H112 N16 O24 Zn4 -","4","1","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1013","0.0686","","","0.1958","0.2213","","","","","","1.023","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218190","11.0849","0.0013","11.6224","0.0014","13.0516","0.0015","71.141","0.001","86.977","0.002","69.796","0.001","1490","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cd N4 O7 -","- C33 H30 Cd N4 O7 -","- C66 H60 Cd2 N8 O14 -","2","1","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1181","0.0556","","","0.0863","0.1031","","","","","","0.838","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218191","9.3381","0.0005","25.7913","0.0012","15.3127","0.0006","90","","95.891","0.004","90","","3668.5","0.3","121.3","0.1","121.3","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H70 Cd3 Cl2 N12 O12 -","- C76 H70 Cd3 Cl2 N12 O12 -","- C152 H140 Cd6 Cl4 N24 O24 -","2","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.0786","0.0597","","","0.1247","0.1343","","","","","","1.132","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218192","40.431","0.003","18.1158","0.001","35.3525","0.0018","90","","123.886","0.008","90","","21496","3","104.3","0.8","104.3","0.8","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C123 H92 N20 O32 Zn6 -","- C123 H92 N20 O32 Zn6 -","- C492 H368 N80 O128 Zn24 -","4","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","1.54184","CuKα","","0.1303","0.0792","","","0.2136","0.2369","","","","","","1.015","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218193","36.873","0.003","9.3152","0.0009","10.9288","0.0011","90","","93.643","0.001","90","","3746.2","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H36 Cd2 N12 O8 -","- C33 H36 Cd2 N12 O8 -","- C132 H144 Cd8 N48 O32 -","4","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.125","0.1045","","","0.2754","0.2856","","","","","","1.115","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218194","7.9572","0.0006","15.2139","0.0011","24.9697","0.0017","90","","90.666","0.005","90","","3022.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N3 O9 Zn2 -","- C30 H29 N3 O9 Zn2 -","- C120 H116 N12 O36 Zn8 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.062","0.0528","","","0.1428","0.1487","","","","","","1.097","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218195","7.9713","0.001","15.4036","0.0016","25.046","0.003","90","","90.562","0.01","90","","3075.2","0.6","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 N3 O9 Zn2 -","- C31 H31 N3 O9 Zn2 -","- C124 H124 N12 O36 Zn8 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0782","0.0574","","","0.1438","0.155","","","","","","1.073","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218196","8.1511","0.0006","16.0769","0.0012","24.7374","0.0018","90","","90.796","0.003","90","","3241.4","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N3 O9 Zn2 -","- C32 H33 N3 O9 Zn2 -","- C128 H132 N12 O36 Zn8 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0348","0.0331","","","0.0981","0.1007","","","","","","1.062","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218197","19.347","0.0019","11.084","0.0013","10.8074","0.001","90","","92.93","0.007","90","","2314.5","0.4","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H29 N3 O -","- C28 H29 N3 O -","- C112 H116 N12 O4 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0417","0.0349","","","0.0855","0.0893","","","","","","1.035","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218198","15.1693","0.0008","17.4457","0.001","17.6212","0.0016","104.114","0.004","112.607","0.004","109.132","0.003","3683.4","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H164 N12 O39 Zn8 -","- C144 H164 N12 O39 Zn8 -","- C144 H164 N12 O39 Zn8 -","1","0.5","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0772","0.0594","","","0.1704","0.1876","","","","","","1.035","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218199","10.7384","0.0005","11.181","0.0006","13.7983","0.0007","91.221","0.003","103.627","0.003","94.827","0.003","1602.91","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H82 N6 O10 Zn2 -","- C70 H82 N6 O10 Zn2 -","- C70 H82 N6 O10 Zn2 -","1","0.5","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0567","0.0444","","","0.1151","0.1241","","","","","","1.023","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218200","14.2398","0.0007","14.7602","0.0007","15.7924","0.0008","89.058","0.002","66.11","0.002","87.738","0.002","3032.5","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H74 N6 O10 Zn2 -","- C66 H74 N6 O10 Zn2 -","- C132 H148 N12 O20 Zn4 -","2","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0515","0.0443","","","0.1122","0.1179","","","","","","1.049","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218201","10.8959","0.0006","11.2529","0.0007","12.1372","0.0007","109.804","0.002","102.546","0.002","91.431","0.002","1358.81","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 N6 O10 Zn2 -","- C60 H62 N6 O10 Zn2 -","- C60 H62 N6 O10 Zn2 -","1","0.5","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0344","0.0324","","","0.0845","0.0863","","","","","","1.051","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218202","15.1794","0.0006","17.1547","0.0007","17.2922","0.0007","115.89","0.002","100.999","0.002","108.227","0.002","3554.1","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H78 N6 O20 Zn4 -","- C68 H74 N6 O20 Zn4 -","- C136 H148 N12 O40 Zn8 -","2","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0685","0.0516","","","0.1364","0.149","","","","","","1.043","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218203","10.9315","0.0007","11.2063","0.0008","13.3817","0.0009","96.615","0.003","102.46","0.003","99.944","0.003","1556.69","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H78 N6 O10 Zn2 -","- C68 H78 N6 O10 Zn2 -","- C68 H78 N6 O10 Zn2 -","1","0.5","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.039","0.0348","","","0.0877","0.0911","","","","","","1.031","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218204","10.0691","0.0008","10.7273","0.0009","11.9802","0.0009","93.2","0.003","106.786","0.003","117.792","0.003","1067.91","0.15","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O -","- C27 H27 N3 O -","- C54 H54 N6 O2 -","2","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0357","0.0334","","","0.0916","0.0937","","","","","","1.044","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218205","8.0908","0.0009","29.735","0.003","16.6368","0.0018","90","","99.076","0.009","90","","3952.4","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H43 N3 O11 Zn2 -","- C37 H43 N3 O11 Zn2 -","- C148 H172 N12 O44 Zn8 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.1554","0.1061","","","0.2826","0.3108","","","","","","1.136","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218206","24.7836","0.0017","6.7289","0.0003","20.9423","0.0013","90","","114.264","0.008","90","","3184","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B F2 N3 -","- C18 H18 B F2 N3 -","- C144 H144 B8 F16 N24 -","8","2","","Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua","Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.","Physical chemistry chemical physics : PCCP","2014","16","43","23884","23894","10.1039/c4cp03343d","","","0.71073","MoKα","","0.0612","0.0517","","","0.1432","0.1523","","","","","","1.012","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7218207","16.771","0.003","15.274","0.003","7.6839","0.0015","90","","90","","90","","1968.3","0.6","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H12 B F2 I2 N3 -","- C18 H12 B F2 I2 N3 -","- C72 H48 B4 F8 I8 N12 -","4","0.25","","Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua","Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.","Physical chemistry chemical physics : PCCP","2014","16","43","23884","23894","10.1039/c4cp03343d","","","0.71073","MoKα","","0.0612","0.0522","","","0.1526","0.1896","","","","","","1.086","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218208","7.1055","0.0003","12.1329","0.0006","19.1171","0.0007","90","","96.167","0.001","90","","1638.55","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 B F2 N3 -","- C18 H18 B F2 N3 -","- C72 H72 B4 F8 N12 -","4","2","","Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua","Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.","Physical chemistry chemical physics : PCCP","2014","16","43","23884","23894","10.1039/c4cp03343d","","","0.71073","MoKα","","0.1067","0.0608","","","0.1536","0.2339","","","","","","1.165","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7218209","14.3736","0.0011","14.8242","0.0011","14.1707","0.0012","90","","97.653","0.002","90","","2992.6","0.4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 B Cl Co F2 N7 O4 -","- C26 H32 B Cl Co F2 N7 O4 -","- C104 H128 B4 Cl4 Co4 F8 N28 O16 -","4","1","","Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua","Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.","Physical chemistry chemical physics : PCCP","2014","16","43","23884","23894","10.1039/c4cp03343d","","","0.71073","MoKα","","0.121","0.0713","","","0.1824","0.257","","","","","","1.116","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218210","8.658","0.0003","13.6093","0.0005","30.699","0.0013","90","","92.969","0.001","90","","3612.4","0.2","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 B Cl Co F2 I2 N7 O4 -","- C28 H30 B Cl Co F2 I2 N8 O4 -","- C112 H120 B4 Cl4 Co4 F8 I8 N32 O16 -","4","1","","Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua","Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.","Physical chemistry chemical physics : PCCP","2014","16","43","23884","23894","10.1039/c4cp03343d","","","0.71073","MoKα","","0.0864","0.0612","","","0.1669","0.1995","","","","","","1.049","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218211","32.1886","0.001","13.8873","0.0005","8.432","0.0003","90","","104.759","0.003","90","","3644.8","0.2","173","2","173","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C26 H32 B Cl Co F2 N7 O4 -","- C26 H32 B Cl Co F2 N7 O4 -","- C104 H128 B4 Cl4 Co4 F8 N28 O16 -","4","0.5","","Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua","Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.","Physical chemistry chemical physics : PCCP","2014","16","43","23884","23894","10.1039/c4cp03343d","","","0.71073","MoKα","","0.0588","0.0519","","","0.1618","0.1685","","","","","","1.069","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218212","22.95","0.004","34.573","0.005","17.549","0.005","90","","104.677","0.002","90","","13470","5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-methylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C78 H71 N9 O17 -","- C78 H69 N9 O17 -","- C624 H552 N72 O136 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1572","0.0619","","","0.1255","0.162","","","","","","0.99","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218213","17.524","0.0004","17.9622","0.0004","18.5524","0.0004","99.369","0.001","100.579","0.001","110.01","0.001","5230.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-methylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C117 H121 N9 O31 -","- C117 H121 N9 O31 -","- C234 H242 N18 O62 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","1.54178","CuKα","","0.0684","0.0556","","","0.1728","0.1896","","","","","","1.066","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218214","29.9239","0.0011","19.772","0.0007","23.7677","0.0009","90","","116.033","0.002","90","","12635.5","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-methylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C71 H78 N6 O17 -","- C71 H78 N6 O17 -","- C568 H624 N48 O136 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.7749","synchrotron","","0.0774","0.057","","","0.1556","0.1679","","","","","","1.047","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218215","7.3273","0.0008","16.7326","0.0019","23.611","0.003","85.742","0.002","83.946","0.002","86.963","0.002","2867.8","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethyl-pyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C66 H60 N8 O14 -","- C66 H60 N8 O14 -","- C132 H120 N16 O28 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1029","0.0456","","","0.0982","0.1225","","","","","","0.984","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218216","12.6468","0.0016","15.636","0.002","16.887","0.002","64.978","0.002","81.891","0.002","68.093","0.002","2806.9","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C67 H66 N6 O15 -","- C67 H66 N6 O15 -","- C134 H132 N12 O30 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.0975","0.0577","","","0.1506","0.1785","","","","","","1.023","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218217","12.5764","0.0016","15.566","0.002","16.818","0.002","65.345","0.002","82.005","0.002","68.245","0.002","2778.6","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C66 H64 N6 O15 -","- C66 H64 N6 O15 -","- C132 H128 N12 O30 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1061","0.0586","","","0.1405","0.1638","","","","","","1.049","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218218","15.986","0.003","13.95","0.003","19.675","0.004","90","","99.924","0.003","90","","4322","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-ethylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C51 H51 N3 O13 -","- C51 H51 N3 O13 -","- C204 H204 N12 O52 -","4","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.0895","0.0485","","","0.1104","0.1349","","","","","","1.017","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218219","12.453","0.003","15.858","0.003","19.087","0.006","110.506","0.004","94.181","0.004","110.339","0.003","3228","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C71.5 H79 N6 O17 -","- C71.5 H78 N6 O17 -","- C143 H156 N12 O34 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1131","0.0677","","","0.1782","0.207","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218220","12.6569","0.001","15.762","0.0013","18.771","0.002","109.665","0.001","92.113","0.001","111.92","0.001","3214.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C72 H80 N6 O17 -","- C72 H78 N6 O17 -","- C144 H156 N12 O34 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.0691","0.0479","","","0.1234","0.1371","","","","","","1.047","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218221","12.618","0.003","15.758","0.003","18.702","0.004","109.763","0.003","92.291","0.003","112.029","0.003","3184.2","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C73 H82 N6 O17 -","- C73 H80 N6 O17 -","- C146 H160 N12 O34 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.7749","synchrotron","","0.089","0.0615","","","0.1671","0.1892","","","","","","1.036","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218222","11.8485","0.0016","12.7498","0.0017","18.287","0.002","84.294","0.002","85.839","0.002","63.72","0.002","2463.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C57 H65 N3 O18 -","- C57 H65 N3 O18 -","- C114 H130 N6 O36 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.7749","synchrotron","","0.0863","0.0631","","","0.1649","0.185","","","","","","1.039","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218223","18.733","0.002","12.8486","0.0013","22.432","0.002","90","","106.873","0.001","90","","5166.8","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C57 H66 N4 O15 -","- C57 H62 N4 O15 -","- C228 H248 N16 O60 -","4","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1318","0.0599","","","0.1468","0.189","","","","","","1.031","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218224","10.771","0.002","6.4406","0.0013","19.57","0.004","90","","98.21","0.03","90","","1343.7","0.5","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H28 N2 O4 Zn -","- C32 H28 N2 O4 Zn -","- C64 H56 N4 O8 Zn2 -","2","0.5","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.0299","0.0277","","","0.0763","0.0777","","","","","","1.085","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218225","10.388","0.002","14.804","0.003","20.219","0.004","83.24","0.03","84.1","0.03","87.45","0.03","3069.7","1.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H68 N4 O8 Zn2 -","- C64 H68 N4 O8 Zn2 -","- C128 H136 N8 O16 Zn4 -","2","1","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.0786","0.0485","","","0.1174","0.1326","","","","","","1.012","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218226","15.281","0.003","21.46","0.004","15.867","0.003","90","","94.63","0.03","90","","5186.3","1.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H20.75 N1.25 O4 Zn -","- C26.5 H20.75 N1.25 O4 Zn -","- C212 H166 N10 O32 Zn8 -","8","1","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.0756","0.0593","","","0.1533","0.1694","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218227","16.26","0.003","16.26","0.003","16.549","0.003","90","","90","","90","","4375.4","1.4","223","2","223","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C26 H20 N O5 Zn -","- C26 H20 N O5 Zn -","- C208 H160 N8 O40 Zn8 -","8","0.5","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.0487","0.0421","","","0.1117","0.1189","","","","","","1.052","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218228","15.063","0.003","6.1809","0.0012","23.546","0.008","90","","117.92","0.02","90","","1937","0.9","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H38 N2 O5 Zn -","- C42 H38 N2 O5 Zn -","- C84 H76 N4 O10 Zn2 -","2","0.5","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.078","0.0691","","","0.1995","0.2073","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218229","16.99","0.003","18.475","0.004","11.966","0.002","90","","92.92","0.03","90","","3751.1","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H17 F18 N4 Nd O6 -","- C29 H17 F18 N4 Nd O6 -","- C116 H68 F72 N16 Nd4 O24 -","4","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0547","0.0356","","","0.0838","0.0915","","","","","","0.962","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218230","16.975","0.003","18.527","0.004","11.936","0.002","90","","93.47","0.03","90","","3746.9","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H17 F18 N4 O6 Sm -","- C29 H17 F18 N4 O6 Sm -","- C116 H68 F72 N16 O24 Sm4 -","4","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0514","0.036","","","0.0877","0.0968","","","","","","0.988","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218231","16.936","0.003","18.506","0.004","11.923","0.002","90","","93.65","0.03","90","","3729.3","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H17 Eu F18 N4 O6 -","- C29 H17 Eu F18 N4 O6 -","- C116 H68 Eu4 F72 N16 O24 -","4","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","","0.0409","","","0.1118","0.1207","","","","","","1.045","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218232","17.701","0.0005","19.2428","0.0004","23.1401","0.0007","67.657","0.002","83.186","0.002","63.229","0.002","6495.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H58 F60 Gd4 N12 O24 -","- C96 H58 F60 Gd4 N12 O24 -","- C192 H116 F120 Gd8 N24 O48 -","2","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0857","0.055","","","0.1431","0.1611","","","","","","1.081","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218233","12.44","0.005","20.322","0.005","20.819","0.005","70.278","0.005","74.202","0.005","79.033","0.005","4739","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H36 Dy3 F48 N11 O16 -","- C69 H36 Dy3 F48 N11 O16 -","- C138 H72 Dy6 F96 N22 O32 -","2","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71069","MoKα","","0.0832","0.0527","","","0.1139","0.1334","","","","","","1.039","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218234","23.313","0.005","11.45","0.002","24.062","0.005","90","","90","","90","","6423","2","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C44 H20 F36 N4 O12 Yb2 -","- C44 H20 F36 N4 O12 Yb2 -","- C176 H80 F144 N16 O48 Yb8 -","4","0.5","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0771","0.0541","","","0.1405","0.1546","","","","","","1.079","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218235","10.786","0.003","11.071","0.003","12.689","0.003","67.852","0.004","80.937","0.004","81.886","0.005","1380.3","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N4 O4 -","- C34 H32 N4 O4 -","- C68 H64 N8 O8 -","2","1","","Yao, Ching-Fa; Kotipalli, Trimurtulu; Donala, Janreddy; Kavala, Veerababurao; Kuo, Chun-Wei; Chen, Mei-Ling; Kuo, Ting-Shen; He, Chiu-Hui","BF3•OEt2-mediated one pot synthesis of 10-indolyldibenzo[b,f]azepine derivatives via tandem ring expansion and C-C bond formation","RSC Adv.","2014","","","","","10.1039/C4RA08723B","","","0.71073","MoKα","","0.114","0.0592","","","0.1432","0.195","","","","","","1.012","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218236","7.242","0.006","21.438","0.012","14.019","0.009","90","","96.92","0.03","90","","2161","3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl2 N2 -","- C28 H20 Cl2 N2 -","- C112 H80 Cl8 N8 -","4","1","","Yao, Ching-Fa; Kotipalli, Trimurtulu; Donala, Janreddy; Kavala, Veerababurao; Kuo, Chun-Wei; Chen, Mei-Ling; Kuo, Ting-Shen; He, Chiu-Hui","BF3•OEt2-mediated one pot synthesis of 10-indolyldibenzo[b,f]azepine derivatives via tandem ring expansion and C-C bond formation","RSC Adv.","2014","","","","","10.1039/C4RA08723B","","","0.71073","MoKα","","0.3364","0.1027","","","0.193","0.2902","","","","","","0.95","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218237","17.028","0.004","17.028","0.004","8.0005","0.001","90","","90","","90","","2319.8","0.8","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C10 H14 N6 O -","- C10 H14 N6 O -","- C80 H112 N48 O8 -","8","1","","Benyei, Attila; Stirling, Andras; Bostai, Beatrix; Lőrincz, Krisztián; Kotschy, Andras","Out of cross-conjugation: The unexpected structure of tetrazinones","RSC Adv.","2014","","","","","10.1039/C4RA05616G","","","0.71073","MoKα","","0.3034","0.0924","","","","0.1809","","","","","","0.842","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218238","11.7079","0.001","15.3735","0.001","11.8425","0.001","90","","90.763","0.01","90","","2131.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N6 O -","- C23 H24 N6 O -","- C92 H96 N24 O4 -","4","1","","Benyei, Attila; Stirling, Andras; Bostai, Beatrix; Lőrincz, Krisztián; Kotschy, Andras","Out of cross-conjugation: The unexpected structure of tetrazinones","RSC Adv.","2014","","","","","10.1039/C4RA05616G","","","0.71073","MoKα","","0.1201","0.063","","","","0.2431","","","","","","1.16","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218239","6.159","0.001","18.715","0.002","15.977","0.002","90","","90","","90","","1841.6","0.4","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C21 H20 N6 O -","- C21 H20 N6 O -","- C84 H80 N24 O4 -","4","0.5","","Benyei, Attila; Stirling, Andras; Bostai, Beatrix; Lőrincz, Krisztián; Kotschy, Andras","Out of cross-conjugation: The unexpected structure of tetrazinones","RSC Adv.","2014","","","","","10.1039/C4RA05616G","","","0.71073","MoKα","","0.0537","0.0442","","","","0.1305","","","","","","0.801","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218240","9.7674","0.001","13.8678","0.001","14.871","0.001","90","","90","","90","","2014.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N6 O -","- C22 H24 N6 O -","- C88 H96 N24 O4 -","4","1","","Benyei, Attila; Stirling, Andras; Bostai, Beatrix; Lőrincz, Krisztián; Kotschy, Andras","Out of cross-conjugation: The unexpected structure of tetrazinones","RSC Adv.","2014","","","","","10.1039/C4RA05616G","","","0.71073","MoKα","","0.0876","0.051","","","","0.1275","","","","","","1.077","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218241","9.1099","0.001","9.7574","0.001","11.9033","0.001","97.231","0.01","112.188","0.01","95.337","0.01","960.49","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 N7 O -","- C22 H15 N7 O -","- C44 H30 N14 O2 -","2","1","","Benyei, Attila; Stirling, Andras; Bostai, Beatrix; Lőrincz, Krisztián; Kotschy, Andras","Out of cross-conjugation: The unexpected structure of tetrazinones","RSC Adv.","2014","","","","","10.1039/C4RA05616G","","","0.71073","MoKα","","0.0495","0.0461","","","","0.1307","","","","","","1.165","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218242","16.137","0.005","7.876","0.002","16.214","0.005","90","","108.606","0.004","90","","1953","1","100","2","100","2","","","","","","","Jennifer Hiscock","4","P 1 21 1","P 2yb","4","Compound 6","","","- C18 H35 Cl N2 -","- C18 H35 Cl N2 -","- C72 H140 Cl4 N8 -","4","2","","Hiscock, Jennifer R.; Kirby, Isabelle L.; Herniman, Julie; John Langley, G.; Clark, Alistair J.; Gale, Philip A.","Supramolecular gels for the remediation of reactive organophosphorus compounds","RSC Adv.","2014","4","85","45517","","10.1039/C4RA07712A","","","0.71073","MoKα","","0.0579","0.0532","","","0.115","0.1182","","","","","","1.096","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218243","10.722","0.004","5.2236","0.0016","18.916","0.007","90","","103.548","0.006","90","","1030","0.6","100","2","100","2","","","","","","","Jennifer Hiscock","5","P 1 21 1","P 2yb","4","","compound 5","","- C18 H37 Cl N2 O -","- C18 H37 Cl N2 O -","- C36 H74 Cl2 N4 O2 -","2","1","","Hiscock, Jennifer R.; Kirby, Isabelle L.; Herniman, Julie; John Langley, G.; Clark, Alistair J.; Gale, Philip A.","Supramolecular gels for the remediation of reactive organophosphorus compounds","RSC Adv.","2014","4","85","45517","","10.1039/C4RA07712A","","","0.71075","MoKα","","0.0697","0.0598","","","0.111","0.1192","","","","","","1.118","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218244","12.123","0.0006","16.851","0.0008","17.716","0.0008","106.672","0.004","109.3","0.004","99.89","0.004","3126.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 N2 O30 Zn3 -","- C52 H52 N2 O30 Zn3 -","- C104 H104 N4 O60 Zn6 -","2","1","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71069","MoKα","","0.111","0.0775","","","0.2248","0.2573","","","","","","1.035","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218245","16.719","0.0004","16.719","0.0004","24.598","0.0007","90","","90","","120","","5954.6","0.3","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H82 Co4 N2 O39 -","- C54 H54 Co4 N2 O39 -","- C162 H162 Co12 N6 O117 -","3","0.5","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71069","MoKα","","0.0948","0.065","","","0.1805","0.1996","","","","","","1.11","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218246","16.719","0.0007","16.719","0.0007","24.598","0.001","90","","90","","120","","5954.6","0.4","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H82 N2 Ni4 O39 -","- C54 H54 N2 Ni4 O39 -","- C162 H162 N6 Ni12 O117 -","3","0.5","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71069","MoKα","","0.1284","0.0746","","","0.1964","0.2379","","","","","","1.022","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218247","12.3029","0.0013","17.4336","0.0019","17.492","0.0018","67.67","0.01","76.2","0.009","71.884","0.009","3267.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H84 Mn3 N2 O39 -","- C53 H54 Mn3 N2 O39 -","- C106 H108 Mn6 N4 O78 -","2","1","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71073","MoKα","","0.2191","0.0903","","","0.1829","0.2496","","","","","","0.973","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218248","12.6998","0.0007","13.0818","0.0008","24.7253","0.0013","90","","90","","90","","4107.8","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H39 Cu N2 O P2 S2 -","- C45 H39 Cu N2 O P2 S2 -","- C180 H156 Cu4 N8 O4 P8 S8 -","4","1","","Singh, Suryabhan; Bhattacharya, Subrato","Studies of structural diversity due to inter-/intra-molecular hydrogen bonding and photoluminescent properties in thiocarboxylate Cu(I) and Ag(I) complexes","RSC Adv.","2014","","","","","10.1039/C4RA07883G","","","0.71073","MoKα","","0.1115","0.0721","","","0.177","0.202","","","","","","1.038","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218249","10.0157","0.0012","10.0218","0.0012","18.17","0.002","77.489","0.011","79.64","0.011","66.284","0.012","1621.4","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Cu N2 O P S6 -","- C29 H28 Cu N2 O P S6 -","- C58 H56 Cu2 N4 O2 P2 S12 -","2","1","","Singh, Suryabhan; Bhattacharya, Subrato","Studies of structural diversity due to inter-/intra-molecular hydrogen bonding and photoluminescent properties in thiocarboxylate Cu(I) and Ag(I) complexes","RSC Adv.","2014","","","","","10.1039/C4RA07883G","","","0.71073","MoKα","","0.1302","0.066","","","0.1319","0.1757","","","","","","1.041","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218250","13.2247","0.0004","19.1038","0.0006","18.0282","0.0006","90","","108.708","0.004","90","","4314","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 Cu N2 O P2 S3 -","- C48 H39 Cu N2 O P2 S3 -","- C192 H156 Cu4 N8 O4 P8 S12 -","4","1","","Singh, Suryabhan; Bhattacharya, Subrato","Studies of structural diversity due to inter-/intra-molecular hydrogen bonding and photoluminescent properties in thiocarboxylate Cu(I) and Ag(I) complexes","RSC Adv.","2014","","","","","10.1039/C4RA07883G","","","0.71073","MoKα","","0.1002","0.0604","","","0.1338","0.1591","","","","","","1.01","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218251","13.094","0.005","17.908","0.005","18.12","0.005","90","0.005","90","0.005","90","0.005","4249","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H37 Cu O3 P2 S3 -","- C46 H37 Cu O3 P2 S3 -","- C184 H148 Cu4 O12 P8 S12 -","4","1","","Singh, Suryabhan; Bhattacharya, Subrato","Studies of structural diversity due to inter-/intra-molecular hydrogen bonding and photoluminescent properties in thiocarboxylate Cu(I) and Ag(I) complexes","RSC Adv.","2014","","","","","10.1039/C4RA07883G","","","0.71073","MoKα","","0.0807","0.0556","","","0.1287","0.1469","","","","","","1.001","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218252","13.1995","0.0011","18.078","0.003","18.115","0.003","90","","90","","90","","4322.6","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H39 Cu O2 P2 S3 -","- C48 H39 Cu O2 P2 S3 -","- C192 H156 Cu4 O8 P8 S12 -","4","1","","Singh, Suryabhan; Bhattacharya, Subrato","Studies of structural diversity due to inter-/intra-molecular hydrogen bonding and photoluminescent properties in thiocarboxylate Cu(I) and Ag(I) complexes","RSC Adv.","2014","","","","","10.1039/C4RA07883G","","","0.71073","MoKα","","0.1259","0.0822","","","0.1868","0.2395","","","","","","1.04","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218253","12.834","0.008","14.77","0.009","15.9","0.011","65.78","0.06","87.9","0.06","69.1","0.06","2546","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H46 Cu2 N2 O2 P2 S3 -","- C57 H46 Cu2 N2 O2 P2 S3 -","- C114 H92 Cu4 N4 O4 P4 S6 -","2","1","","Singh, Suryabhan; Bhattacharya, Subrato","Studies of structural diversity due to inter-/intra-molecular hydrogen bonding and photoluminescent properties in thiocarboxylate Cu(I) and Ag(I) complexes","RSC Adv.","2014","","","","","10.1039/C4RA07883G","","","0.71073","MoKα","","0.1358","0.0632","","","0.1221","0.1588","","","","","","1.015","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218254","8.553","0.005","11.605","0.005","14.138","0.005","82.59","0.005","83.221","0.005","86.617","0.005","1380.5","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Cu4 N4 O4 S12 -","- C48 H40 Cu4 N4 O4 S12 -","- C48 H40 Cu4 N4 O4 S12 -","1","0.5","","Singh, Suryabhan; Bhattacharya, Subrato","Studies of structural diversity due to inter-/intra-molecular hydrogen bonding and photoluminescent properties in thiocarboxylate Cu(I) and Ag(I) complexes","RSC Adv.","2014","","","","","10.1039/C4RA07883G","","","0.71073","MoKα","","0.1532","0.068","","","0.1211","0.1626","","","","","","0.984","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218255","10.3842","0.0005","18.077","0.001","23.1444","0.0011","90","","101.813","0.005","90","","4252.5","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H83 Ag2 N O2 P4 S4 -","- C96 H83 Ag2 N O2 P4 S4 -","- C192 H166 Ag4 N2 O4 P8 S8 -","2","1","","Singh, Suryabhan; Bhattacharya, Subrato","Studies of structural diversity due to inter-/intra-molecular hydrogen bonding and photoluminescent properties in thiocarboxylate Cu(I) and Ag(I) complexes","RSC Adv.","2014","","","","","10.1039/C4RA07883G","","","0.71073","MoKα","","0.0591","0.0416","","","0.0763","0.0833","","","","","","1.017","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218256","18.1036","0.0006","19.774","0.0008","27.1081","0.0009","89.88","0.003","88.55","0.003","79.127","0.003","9526.9","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C215 H181 Ag4 N8 O4 P8 S8 -","- C215 H181 Ag4 N8 O4 P8 S8 -","- C430 H362 Ag8 N16 O8 P16 S16 -","2","1","","Singh, Suryabhan; Bhattacharya, Subrato","Studies of structural diversity due to inter-/intra-molecular hydrogen bonding and photoluminescent properties in thiocarboxylate Cu(I) and Ag(I) complexes","RSC Adv.","2014","","","","","10.1039/C4RA07883G","","","0.71073","MoKα","","0.2115","0.1361","","","0.3479","0.4016","","","","","","1.014","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218257","12.344","0.003","26.323","0.005","15.663","0.003","90","","97.56","0.03","90","","5045.2","1.9","173","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","P21c","","","- C42.25 H31.25 N4.75 O10.75 Zn2 -","- C42.25 H31.25 N4.75 O10.75 Zn2 -","- C169 H125 N19 O43 Zn8 -","4","1","","Masoomi, Mohammad Yaser; Morsali, Ali; Junk, Peter Courtney","Ultrasound assisted synthesis of a Zn(II) metal-organic framework with nano-plate morphology using non-linear dicarboxylate and linear N-donor ligands","RSC Adv.","2014","","","","","10.1039/C4RA09186H","","","0.71073","Synchrotron","","0.1156","0.0936","","","0.2706","0.2866","","","","","","1.049","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218258","15.675","0.002","18.849","0.005","19.855","0.005","90","","90","","90","","5866","2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 N4 O8 S -","- C22 H42 N4 O8 S -","- C176 H336 N32 O64 S8 -","8","2","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.0708","0.0473","","","0.1106","0.1297","","","","","","1.032","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218259","9.1689","0.0004","15.824","0.0005","21.6607","0.001","90","","90","","90","","3142.7","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N4 O8 S -","- C24 H46 N4 O8 S -","- C96 H184 N16 O32 S4 -","4","1","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.1329","0.0743","","","0.1899","0.2296","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218260","10.551","0.003","15.765","0.005","20.395","0.005","90","","90","","90","","3392.4","1.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H50 N4 O8 S -","- C26 H50 N4 O8 S -","- C104 H200 N16 O32 S4 -","4","1","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.0691","0.0536","","","0.1299","0.1423","","","","","","1.036","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218261","4.9125","0.0002","9.3729","0.0004","12.3508","0.0005","110.316","0.002","90.313","0.002","100.233","0.001","523.43","0.04","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H26 N4 O8 S -","- C14 H26 N4 O8 S -","- C14 H26 N4 O8 S -","1","1","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.0325","0.032","","","0.0869","0.0877","","","","","","1.062","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218265","12.558","0.0004","8.9152","0.0003","16.7021","0.0006","90","","101.931","0.002","90","","1829.52","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N4 O6 -","- C19 H18 N4 O6 -","- C76 H72 N16 O24 -","4","1","","POre, Dattaprasad Marutrao; Patil, Jayavant D.","1,1’-sulfinyldipyridinium bis (hydrogen sulfate) ionic liquid: synthesis and its application towards temperature influenced synthesis of novel pyranopyrimidinediones and pyranopyrimidinetriones","RSC Adv.","2014","","","","","10.1039/C4RA10410B","","","0.71073","MoKα","","0.0513","0.0399","","","0.1124","0.1223","","","","","","1.031","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218266","14.3843","0.0003","9.8961","0.0003","28.9183","0.0007","90","","100.764","0.002","90","","4044.05","0.18","292.1","0.6","292.1","0.6","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21.25 H19.5 Cl1.5 N2 O5 -","- C21.25 H19.5 Cl1.5 N2 O5 -","- C170 H156 Cl12 N16 O40 -","8","2","","Zhong, Yuan; Ma, Shixiong; Xu, Zhaoqing; Chang, Min; Wang, Rui","Organocatalytic asymmetric vinylogous Michael addition of 3-alkylidene oxindoles to α-substituted β-nitroacrylates: Facile construction of chiral all-carbon quaternary center","RSC Adv.","2014","","","","","10.1039/C4RA09128K","","","1.54184","CuKα","","0.0513","0.0488","","","0.1259","0.1305","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218267","37.303","0.0017","8.9433","0.0004","12.9288","0.0006","90","","100.327","0.002","90","","4243.3","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(BEDT-TTF)ethyl thiophene-2-carboxylate","","- C17 H14 O2 S9 -","- C17 H14 O2 S9 -","- C136 H112 O16 S72 -","8","1","","Wang, Qiang; Wallis, John D.; Wu, Yiliang; Pilkington, Melanie","A structural investigation of novel thiophene-functionalized BEDT-TTF donors for application as organic field-effect transistors","CrystEngComm","2014","16","44","10235","","10.1039/C4CE01686F","","","0.71073","MoKα","","0.0547","0.053","","","0.1198","0.1208","","","","","","1.113","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218268","6.5563","0.0005","9.9629","0.0008","16.1326","0.0013","105.019","0.002","96.449","0.002","97.549","0.002","997.1","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2-(BEDT-TTF)methyl thiophene-2-carboxylate","","- C16 H12 O2 S9 -","- C16 H12 O2 S9 -","- C32 H24 O4 S18 -","2","1","","Wang, Qiang; Wallis, John D.; Wu, Yiliang; Pilkington, Melanie","A structural investigation of novel thiophene-functionalized BEDT-TTF donors for application as organic field-effect transistors","CrystEngComm","2014","16","44","10235","","10.1039/C4CE01686F","","","0.71073","MoKα","","0.039","0.0357","","","0.0793","0.083","","","","","","1.147","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218269","8.204","0.003","12.534","0.003","18.02","0.005","90","","102.77","0.03","90","","1807.1","1","250","2","250","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C84 H64 N8 O28 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Improving solubility of fisetin by cocrystallization","CrystEngComm","2014","16","46","10592","","10.1039/C4CE01713G","","","0.71073","MoKα","","0.1207","0.0584","","","0.1188","0.1316","","","","","","1","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218270","7.553","0.002","14.247","0.005","15.149","0.005","66.25","0.04","79.39","0.03","81.05","0.03","1460.6","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H30 N8 O10 -","- C31 H30 N8 O10 -","- C62 H60 N16 O20 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Improving solubility of fisetin by cocrystallization","CrystEngComm","2014","16","46","10592","","10.1039/C4CE01713G","","","0.71073","MoKα","","0.161","0.0663","","","0.107","0.1224","","","","","","1.005","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218271","3.4771","0.0008","10.671","0.002","10.22","0.002","90","","94.143","0.004","90","","378.21","0.13","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H2 Ag N5 -","- C H2 Ag N5 -","- C4 H8 Ag4 N20 -","4","1","","Zhang, Qi; Chen, Dong; He, Xuan; Huang, Shiliang; Huang, Jinglun; Zhou, Xiaoqing; Yang, Zongwei; Li, Jinshan; Li, Hongzhen; Nie, Fude","Structures, photoluminescence and photocatalytic properties of two novel metal‒organic frameworks based on tetrazole derivatives","CrystEngComm","2014","16","45","10485","","10.1039/C4CE01388C","","","0.71073","MoKα","","0.0382","0.0338","","","0.0965","0.0986","","","","","","1.16","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218272","4.5401","0.0006","11.0469","0.0015","14.585","0.002","90","","93.647","0.002","90","","730.02","0.17","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 Ag N7 -","- C3 H8 Ag N7 -","- C12 H32 Ag4 N28 -","4","1","","Zhang, Qi; Chen, Dong; He, Xuan; Huang, Shiliang; Huang, Jinglun; Zhou, Xiaoqing; Yang, Zongwei; Li, Jinshan; Li, Hongzhen; Nie, Fude","Structures, photoluminescence and photocatalytic properties of two novel metal‒organic frameworks based on tetrazole derivatives","CrystEngComm","2014","16","45","10485","","10.1039/C4CE01388C","","","0.71073","MoKα","","0.0336","0.0268","","","0.072","0.075","","","","","","1.146","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218273","10.0914","0.0005","12.6143","0.0006","13.2987","0.0006","99.312","0.003","100.74","0.004","96.354","0.004","1623.89","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H44 Cl6 La2 N4 O14 -","- C66 H44 Cl6 La2 N4 O14 -","- C66 H44 Cl6 La2 N4 O14 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0508","0.0347","","","0.0603","0.0659","","","","","","1.013","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218274","8.4595","0.0005","12.9231","0.0008","15.4404","0.0009","98.995","0.006","100.654","0.007","100.68","0.006","1598.09","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H44 Ce2 Cl6 N4 O14 -","- C66 H44 Ce2 Cl6 N4 O14 -","- C66 H44 Ce2 Cl6 N4 O14 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.057","0.0384","","","0.0688","0.0755","","","","","","0.995","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218275","8.4411","0.0003","12.9074","0.0004","15.4508","0.0005","98.976","0.001","100.829","0.001","100.727","0.002","1592.4","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H44 Cl6 N4 Nd2 O14 -","- C66 H44 Cl6 N4 Nd2 O14 -","- C66 H44 Cl6 N4 Nd2 O14 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0532","0.037","","","0.0653","0.0716","","","","","","1.037","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218276","10.0492","0.0004","11.9135","0.0005","14.3855","0.0006","110.397","0.002","96.364","0.003","102.19","0.002","1545.56","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 N4 O12 Sm2 -","- C66 H40 Cl6 N4 O12 Sm2 -","- C66 H40 Cl6 N4 O12 Sm2 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0247","0.0213","","","0.0503","0.0523","","","","","","1.044","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218277","10.0755","0.0003","11.8866","0.0003","14.3488","0.0004","110.75","0.03","96.41","0.03","101.87","0.02","1540.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 Gd2 N4 O12 -","- C66 H40 Cl6 Gd2 N4 O12 -","- C66 H40 Cl6 Gd2 N4 O12 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0317","0.0249","","","0.0513","0.0539","","","","","","1.028","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218278","10.0939","0.0003","11.8412","0.0004","14.2899","0.0005","111.041","0.002","96.482","0.001","101.468","0.001","1530.25","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 Ho2 N4 O12 -","- C66 H40 Cl6 Ho2 N4 O12 -","- C66 H40 Cl6 Ho2 N4 O12 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.033","0.0258","","","0.0512","0.0541","","","","","","1.03","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218279","10.0959","0.0003","11.8279","0.0003","14.274","0.0004","111.186","0.0009","96.461","0.0009","101.386","0.0011","1526.17","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 Er2 N4 O12 -","- C66 H40 Cl6 Er2 N4 O12 -","- C66 H40 Cl6 Er2 N4 O12 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0292","0.0236","","","0.0493","0.0515","","","","","","1.035","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218280","10.1079","0.0003","11.819","0.0003","14.2667","0.0004","111.32","0.002","96.529","0.003","101.207","0.002","1525.43","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 N4 O12 Tm2 -","- C66 H40 Cl6 N4 O12 Tm2 -","- C66 H40 Cl6 N4 O12 Tm2 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0341","0.0267","","","0.0554","0.0586","","","","","","1.035","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218281","10.0937","0.0008","11.8057","0.0009","14.2502","0.0011","111.386","0.005","96.465","0.004","101.209","0.005","1519.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 N4 O12 Yb2 -","- C66 H40 Cl6 N4 O12 Yb2 -","- C66 H40 Cl6 N4 O12 Yb2 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0373","0.0284","","","0.0551","0.0586","","","","","","0.995","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218282","10.1082","0.0005","11.7926","0.0005","14.244","0.0007","111.419","0.003","96.559","0.003","101.088","0.002","1519.19","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 Lu2 N4 O12 -","- C66 H40 Cl6 Lu2 N4 O12 -","- C66 H40 Cl6 Lu2 N4 O12 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0664","0.0407","","","0.0588","0.0661","","","","","","0.986","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218283","10.0929","0.0008","11.8472","0.0009","14.288","0.0011","111.16","0.003","96.429","0.004","101.497","0.004","1529.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 N4 O12 Y2 -","- C66 H40 Cl6 N4 O12 Y2 -","- C66 H40 Cl6 N4 O12 Y2 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0696","0.0422","","","0.0744","0.083","","","","","","1.011","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218284","7.1325","0.0014","11.657","0.002","11.979","0.002","61.83","0.03","86.14","0.03","76.85","0.03","854","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 F4 N3 O4 -","- C18 H9 F4 N3 O4 -","- C36 H18 F8 N6 O8 -","2","1","","Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo","Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state","CrystEngComm","2014","16","43","9983","","10.1039/C4CE01690D","","","0.71073","MoKα","","0.1244","0.1067","","","0.2711","0.29","","","","","","1.155","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218285","5.8306","0.0012","9.969","0.002","15.544","0.003","71.39","0.03","87.46","0.03","86.71","0.03","854.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 F4 N3 O4 -","- C19 H11 F4 N3 O4 -","- C38 H22 F8 N6 O8 -","2","1","","Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo","Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state","CrystEngComm","2014","16","43","9983","","10.1039/C4CE01690D","","","0.71073","MoKα","","0.0475","0.0453","","","0.1157","0.1176","","","","","","1.093","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218286","5.653","0.004","9.661","0.008","18.613","0.014","93.602","0.015","91.807","0.014","96.604","0.014","1007","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F4 N3 O4 -","- C22 H17 F4 N3 O4 -","- C44 H34 F8 N6 O8 -","2","1","","Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo","Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state","CrystEngComm","2014","16","43","9983","","10.1039/C4CE01690D","","","0.71073","MoKα","","0.0825","0.0697","","","0.1598","0.1685","","","","","","1.142","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218287","7.5088","0.0015","10.929","0.002","12.823","0.003","112.78","0.03","93.81","0.03","105.56","0.03","917.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 F4 N3 O4 -","- C20 H13 F4 N3 O4 -","- C40 H26 F8 N6 O8 -","2","1","","Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo","Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state","CrystEngComm","2014","16","43","9983","","10.1039/C4CE01690D","","","0.71073","MoKα","","0.0575","0.0523","","","0.1245","0.1291","","","","","","1.085","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218289","25.769","0.002","9.7059","0.0009","17.2986","0.0016","90","","104.016","0.002","90","","4197.8","0.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 N4 Ni3 O20 P4 -","- C30 H40 N4 Ni3 O20 P4 -","- C120 H160 N16 Ni12 O80 P16 -","4","0.5","","Luo, Hui; Zhu, Yanyu; Sun, Zhen-Gang; Jiao, Cheng‒Qi; Zhang, Guang-Ning; Sun, Tong; Ma, Ming-Xue; Li, Wen-Zhu","Synthesis, structures, surface photovoltage and luminescent properties of two new nickel(II) carboxyphosphonates with a 3D framework structure","RSC Adv.","2014","","","","","10.1039/C4RA08424A","","","0.71073","MoKα","","0.0701","0.0494","","","0.1237","0.1344","","","","","","1.058","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218290","27.79","0.003","8.1036","0.0007","22.617","0.002","90","","123.129","0.001","90","","4265.4","0.7","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 N6 Ni3 O22 P4 -","- C28 H44 N6 Ni3 O22 P4 -","- C112 H176 N24 Ni12 O88 P16 -","4","0.5","","Luo, Hui; Zhu, Yanyu; Sun, Zhen-Gang; Jiao, Cheng‒Qi; Zhang, Guang-Ning; Sun, Tong; Ma, Ming-Xue; Li, Wen-Zhu","Synthesis, structures, surface photovoltage and luminescent properties of two new nickel(II) carboxyphosphonates with a 3D framework structure","RSC Adv.","2014","","","","","10.1039/C4RA08424A","","","0.71073","MoKα","","0.0764","0.064","","","0.1945","0.2091","","","","","","1.044","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218291","8.0107","0.0019","14.519","0.004","17.487","0.004","109.295","0.003","97.629","0.003","103.764","0.003","1814.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H62 Cd2 N2 O20 -","- C90 H62 Cd2 N2 O20 -","- C90 H62 Cd2 N2 O20 -","1","0.5","","Liu, Lin; Zhang, Gong-Ming; Zhu, Ru-Gang; Liu, Yong-Hui; Yao, Hui-Meng; Han, Zheng-Bo","Dinuclear Cd(ii), Mn(ii) and Cu(ii) complexes derived from (anthraquinone-1-diyl) benzoate: DNA binding and cleavage studies","RSC Adv.","2014","4","87","46639","","10.1039/C4RA07997C","","","0.71073","MoKα","","0.0649","0.0514","","","0.14","0.1506","","","","","","1.044","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218292","8.012","0.006","14.559","0.014","17.184","0.014","108.545","0.012","97.46","0.009","103.804","0.009","1799","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H62 Mn2 N2 O20 -","- C90 H62 Mn2 N2 O20 -","- C90 H62 Mn2 N2 O20 -","1","0.5","","Liu, Lin; Zhang, Gong-Ming; Zhu, Ru-Gang; Liu, Yong-Hui; Yao, Hui-Meng; Han, Zheng-Bo","Dinuclear Cd(ii), Mn(ii) and Cu(ii) complexes derived from (anthraquinone-1-diyl) benzoate: DNA binding and cleavage studies","RSC Adv.","2014","4","87","46639","","10.1039/C4RA07997C","","","0.71073","MoKα","","0.0891","0.07","","","0.1899","0.2085","","","","","","0.993","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218293","11.554","0.009","12.053","0.009","15.546","0.011","75.142","0.009","71.824","0.008","86.856","0.009","1987","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H70 Cu2 N2 O20 -","- C94 H70 Cu2 N2 O20 -","- C94 H70 Cu2 N2 O20 -","1","0.5","","Liu, Lin; Zhang, Gong-Ming; Zhu, Ru-Gang; Liu, Yong-Hui; Yao, Hui-Meng; Han, Zheng-Bo","Dinuclear Cd(ii), Mn(ii) and Cu(ii) complexes derived from (anthraquinone-1-diyl) benzoate: DNA binding and cleavage studies","RSC Adv.","2014","4","87","46639","","10.1039/C4RA07997C","","","0.71073","MoKα","","0.0492","0.0403","","","0.1081","0.1152","","","","","","1.005","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218294","8.4167","0.0011","10.2057","0.0014","11.0501","0.0015","83.969","0.003","78.625","0.002","79.928","0.003","913.7","0.2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H36 F12 Li2 N6 O8 S4 -","- C18 H36 F12 Li2 N6 O8 S4 -","- C18 H36 F12 Li2 N6 O8 S4 -","1","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure‒conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.0447","0.0401","","","0.1046","0.1084","","","","","","1.048","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218295","12.4175","0.0014","9.8024","0.0011","15.7042","0.0016","90","","105.303","0.003","90","","1843.8","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 F12 Li2 N6 O8 S4 -","- C18 H36 F12 Li2 N6 O8 S4 -","- C36 H72 F24 Li4 N12 O16 S8 -","2","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure‒conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.1295","0.0876","","","0.1839","0.2038","","","","","","1.082","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218296","11.964","0.003","10.381","0.003","16.974","0.004","90","","100.531","0.004","90","","2072.6","0.9","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 F12 Li2 N6 O8 S4 -","- C24 H48 F12 Li2 N6 O8 S4 -","- C48 H96 F24 Li4 N12 O16 S8 -","2","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure‒conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.0362","0.0324","","","0.0877","0.091","","","","","","1.016","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218297","12.2852","0.0014","13.5924","0.0016","16.4701","0.0019","90","","90","","90","","2750.3","0.6","153","2","153","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C14 H32 F6 Li2 N4 O6 S2 -","- C14 H32 F6 Li2 N4 O6 S2 -","- C56 H128 F24 Li8 N16 O24 S8 -","4","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure‒conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.0889","0.0732","","","0.2063","0.2276","","","","","","1.042","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218298","10.3685","0.0007","26.786","0.0014","7.3961","0.0006","90","","104.892","0.008","90","","1985.1","0.2","120","2","120","2","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-(4-(2-(anthracen-9-yl)vinyl)-3-cyano-5,5-dimethylfuran-2(5H)-ylidene)malononitrile","","- C26 H17 N3 O -","- C26 H17 N3 O -","- C104 H68 N12 O4 -","4","1","","Planells, Miquel; Pizzotti, Maddalena; Nichol, Gary S.; Tessore, Francesca; Robertson, Neil","Effect of torsional twist on 2nd order non-linear optical activity of anthracene and pyrene tricyanofuran derivatives.","Physical chemistry chemical physics : PCCP","2014","16","42","23404","23411","10.1039/c4cp03509g","","x-ray","1.54178","CuKα","","0.1021","0.0505","","","0.1075","0.1325","","","","","","1.04","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218299","22.424","0.004","15.2492","0.0019","6.8252","0.0013","90","","98.75","","90","","2306.7","0.7","120","2","120","2","","","","","","","Synthetic","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-(3-cyano-5,5-dimethyl-4-(2-(pyren-1-yl)vinyl)furan-2(5H)-ylidene)malononitrile","","- C29 H21 Cl2 N3 O -","- C29 H19 Cl2 N3 O -","- C116 H76 Cl8 N12 O4 -","4","1","","Planells, Miquel; Pizzotti, Maddalena; Nichol, Gary S.; Tessore, Francesca; Robertson, Neil","Effect of torsional twist on 2nd order non-linear optical activity of anthracene and pyrene tricyanofuran derivatives.","Physical chemistry chemical physics : PCCP","2014","16","42","23404","23411","10.1039/c4cp03509g","","x-ray","1.54178","CuKα","","0.2395","0.2111","","","0.4705","0.4819","","","","","","2.793","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218300","21.4456","0.0004","11.4678","0.0002","11.4003","0.0003","90","","107.91","0.001","90","","2667.85","0.1","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H33 N5 O6 -","- C28 H33 N5 O6 -","- C112 H132 N20 O24 -","4","0.5","","Goswami, Shyamaprosad; Chakrabarty, Rinku; Dey, Swapan; Fun, Hoong- Kun","Steric inhibition of Hydrogen bonding in molecular recognition of dicarboxylic acids: Macrocyclic Ditopic receptors containing nitro group designed to behave like monotopic receptors","RSC Adv.","2014","","","","","10.1039/C4RA06994C","","","0.71073","MoKα","","0.0784","0.0532","","","0.1423","0.1566","","","","","","1.063","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218301","9.2897","0.001","11.5182","0.0013","13.7146","0.0015","107.747","0.002","90.548","0.002","93.464","0.002","1394.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","[Y(3,5-Dnbz)3(H2O)2]H2O,12oct27d","","","- C21 H15 N6 O21 Y -","- C21 H15 N6 O21 Y -","- C42 H30 N12 O42 Y2 -","2","1","","Zhu, Wenhua; Zhang, Yan; Guo, Zhen; Wang, Shen; Wang, Juan; Huang, Yanli; Liu, Li; Fan, Yuqiao; Cao, Feng; Xiang, Suwei","A simple route to 1D ferromagnetic Dy-containing compound showing magnetic relaxation behaviour","RSC Adv.","2014","","","","","10.1039/C4RA08729A","","","0.71073","MoKα","","0.0552","0.038","","","0.0755","0.0821","","","","","","1.029","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218302","9.2791","0.0011","11.4893","0.0014","13.7207","0.0016","107.599","0.001","90.489","0.001","93.625","0.002","1390.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","[Dy(3,5-Dnbz)3(H2O)2]H2O,12jul26c","","","- C21 H15 Dy N6 O21 -","- C21 H15 Dy N6 O21 -","- C42 H30 Dy2 N12 O42 -","2","1","","Zhu, Wenhua; Zhang, Yan; Guo, Zhen; Wang, Shen; Wang, Juan; Huang, Yanli; Liu, Li; Fan, Yuqiao; Cao, Feng; Xiang, Suwei","A simple route to 1D ferromagnetic Dy-containing compound showing magnetic relaxation behaviour","RSC Adv.","2014","","","","","10.1039/C4RA08729A","","","0.71073","MoKα","","0.0355","0.0315","","","0.0825","0.0855","","","","","","1.009","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218303","9.026","0.006","23.908","0.016","10.185","0.007","90","","90.752","0.012","90","","2198","3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C112 H96 N16 -","8","2","","Li, Cheng; An, Shujuan; Zhu, Yuelu; Zhang, Jin; Kang, Yifan; Liu, Ping; Wang, Yao-Yu; Li, Jianli","Copper-Catalyzed Intermoleculae Cyclization of Nitriles and 2-Aminobenzylamine for 3,4-Dihydroquinazolines and Quinazolines Synthesis via Cascade Coupling and Aerobic Oxidation","RSC Adv.","2014","","","","","10.1039/C4RA09240F","","","0.71073","MoKα","","0.1884","0.1308","","","0.3909","0.4312","","","","","","1.448","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218304","10.145","0.006","9.004","0.005","25.125","0.015","90","","100.322","0.01","90","","2258","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 F N2 -","- C14 H11 F N2 -","- C112 H88 F8 N16 -","8","2","","Li, Cheng; An, Shujuan; Zhu, Yuelu; Zhang, Jin; Kang, Yifan; Liu, Ping; Wang, Yao-Yu; Li, Jianli","Copper-Catalyzed Intermoleculae Cyclization of Nitriles and 2-Aminobenzylamine for 3,4-Dihydroquinazolines and Quinazolines Synthesis via Cascade Coupling and Aerobic Oxidation","RSC Adv.","2014","","","","","10.1039/C4RA09240F","","","0.71073","MoKα","","0.125","0.0778","","","0.2388","0.292","","","","","","1.09","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218305","7.4439","0.0008","22.253","0.003","7.6787","0.0009","90","","97.771","0.001","90","","1260.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-3,3'-(diazene-1,2-diyl)bis(1,2,4-oxadiazol-5-amine) DMSO hydrate","","- C6 H12 N8 O4 S -","- C6 H12 N8 O4 S -","- C24 H48 N32 O16 S4 -","4","1","","Shreeve, J. M.; Thottempudi, Venugopal; Zhang, Jiaheng; He, Chunlin","Azo-substituted 1,2,4-oxadiazoles as insensitive energetic materials","RSC Adv.","2014","","","","","10.1039/C4RA10821C","","","0.71073","MoKα","","0.0295","0.0275","","","0.0735","0.0752","","","","","","1.048","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218309","9.523","0.005","14.45","0.006","20.41","0.009","71.148","0.014","79.669","0.017","76.292","0.015","2566","2","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 Cu3 O16 S2 -","- C16 H20 Cu3 O16 S2 -","- C64 H80 Cu12 O64 S8 -","4","2","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujii, Yutaka; Kikuchi, Hikomitsu; Fujita, Wataru","Preparation, crystal structure, and magnetic properties of a copper hydroxy salt with diamond chain magnetic network","CrystEngComm","2014","16","45","10385","","10.1039/C4CE01642D","","","0.71075","MoKα","","0.1355","0.0625","","","0.1423","0.183","","","","","","1.033","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218310","5.712","0.004","8.741","0.006","27.1","0.016","97.596","0.009","91.516","0.006","100.966","0.01","1314.8","1.5","250","","250","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 Cu3 O16 S2 -","- C16 H16 Cu2.5 O16 S2 -","- C32 H32 Cu5 O32 S4 -","2","1","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujii, Yutaka; Kikuchi, Hikomitsu; Fujita, Wataru","Preparation, crystal structure, and magnetic properties of a copper hydroxy salt with diamond chain magnetic network","CrystEngComm","2014","16","45","10385","","10.1039/C4CE01642D","","","0.71075","MoKα","","","0.0479","","","","0.133","","","","","","1.041","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218311","6.8581","0.0002","14.7849","0.0004","17.3015","0.0006","90","","90.966","0.002","90","","1754.06","0.09","296","","296","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.1196","0.051","","0.1015","0.0512","0.0512","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218312","6.8234","0.0004","14.7074","0.0007","17.2","0.002","90","","90.814","0.007","90","","1725.9","0.2","296","","296","","","","164630","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0732","0.0501","","0.0671","0.0396","0.0396","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218313","6.6545","0.0002","14.3261","0.0005","16.7183","0.0014","90","","90.46","0.005","90","","1593.75","0.15","296","","296","","","","1085560","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0642","0.0354","","0.0571","0.0385","0.0385","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218314","6.5502","0.0004","14.1051","0.0007","16.497","0.003","90","","90.396","0.008","90","","1524.1","0.3","296","","296","","","","2037080","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0467","0.0326","","0.0438","0.0348","0.0348","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218315","6.4636","0.0002","13.8775","0.0005","16.3094","0.0016","90","","90.317","0.005","90","","1462.91","0.16","296","","296","","","","3019480","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0477","0.0339","","0.0413","0.0355","0.0355","","","","","","0.9998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218316","6.4012","0.0004","13.7152","0.0009","16.187","0.003","90","","90.438","0.008","90","","1421.1","0.3","296","","296","","","","3963500","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0506","0.034","","0.0452","0.0367","0.0367","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218317","6.3469","0.0005","13.6039","0.001","16.105","0.003","90","","90.549","0.01","90","","1390.5","0.3","296","","296","","","","4882700","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0615","0.0392","","0.0553","0.0417","0.0417","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218318","10.3057","0.0014","10.4576","0.0012","16.047","0.002","92.087","0.002","99.182","0.003","116.38","0.002","1518.2","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H40 N7 O15 Tb -","- C20 H40 N7 O15 Tb -","- C40 H80 N14 O30 Tb2 -","2","1","","Ma, Xiaoyan; Yin, Yuxin; Geng, Zhirong; Yang, Zhen; Wen, Jinghan; Wang, Zhilin","The first example of model compound of RNase U2 and its intermediate with CPP directly monitored by ESI-MS","RSC Adv.","2014","","","","","10.1039/C4RA07950G","","","0.71073","MoKα","","0.0648","0.0532","","","0.1217","0.1241","","","","","","1.068","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218319","10.2941","0.0013","10.4764","0.0012","16.0463","0.0019","92.08","0.002","99.208","0.003","116.368","0.002","1519.2","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H36 N11 O15 Tb -","- C16 H38 N11 O15 Tb -","- C32 H76 N22 O30 Tb2 -","2","1","","Ma, Xiaoyan; Yin, Yuxin; Geng, Zhirong; Yang, Zhen; Wen, Jinghan; Wang, Zhilin","The first example of model compound of RNase U2 and its intermediate with CPP directly monitored by ESI-MS","RSC Adv.","2014","","","","","10.1039/C4RA07950G","","","0.71073","MoKα","","0.0593","0.0503","","","0.119","0.1241","","","","","","1.225","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218320","5.0587","0.0004","5.0974","0.0004","24.1635","0.0019","84.859","0.002","84.33","0.002","88.194","0.002","617.38","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-10-7 (3-pyridyl)-CONH-(CH2)8-NHCO-(3-pyridyl), I-(CF2)2-I","","- C22 H26 F4 I2 N4 O2 -","- C22 H26 F4 I2 N4 O2 -","- C22 H26 F4 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0235","0.0219","","","0.0563","0.0599","","","","","","0.989","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218321","5.0194","0.0003","5.0906","0.0003","26.5502","0.0014","85.503","0.002","85.901","0.002","88.219","0.001","674.36","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-10-8 (3-pyridyl)-CONH-(CH2)8-NHCO-(3-pyridyl), I-(CF2)4-I","","- C24 H26 F8 I2 N4 O2 -","- C24 H26 F8 I2 N4 O2 -","- C24 H26 F8 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0168","0.0161","","","0.041","0.0414","","","","","","1.022","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218322","5.0345","0.0012","5.1049","0.0012","29.113","0.007","85.793","0.006","87.469","0.007","88.033","0.005","745.1","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-10-9 (3-pyridyl)-CONH-(CH2)8-NHCO-(3-pyridyl), I-(CF2)6-I","","- C26 H26 F12 I2 N4 O2 -","- C26 H26 F12 I2 N4 O2 -","- C26 H26 F12 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0287","0.0281","","","0.072","0.0725","","","","","","1.131","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218323","5.0593","0.0007","5.0774","0.0007","22.229","0.003","94.513","0.005","91.986","0.004","91.522","0.004","568.66","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-8-7 (3-pyridyl)-CONH-(CH2)6-NHCO-(3-pyridyl), I-(CF2)2-I","","- C20 H22 F4 I2 N4 O2 -","- C20 H22 F4 I2 N4 O2 -","- C20 H22 F4 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0259","0.0244","","","0.0688","0.0752","","","","","","1.183","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218324","64.445","0.006","4.9349","0.0004","9.1473","0.0008","90","","90","","90","","2909.1","0.4","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","DW-8-9 (3-pyridyl)-CONH-(CH2)6-NHCO-(3-pyridyl), I-(CF2)6-I","","- C24 H22 F12 I2 N4 O2 -","- C24 H22 F12 I2 N4 O2 -","- C96 H88 F48 I8 N16 O8 -","4","1","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0496","0.0367","","","0.106","0.1164","","","","","","1.048","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218325","5.0528","0.0004","5.1104","0.0004","29.87","0.002","86.386","0.002","87.93","0.002","87.776","0.002","768.75","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-8-18 (3-pyridyl)-CONH-(CH2)6-NHCO-(3-pyridyl), I-(CF2)8-I","","- C26 H22 F16 I2 N4 O2 -","- C26 H22 F16 I2 N4 O2 -","- C26 H22 F16 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0301","0.0273","","","0.071","0.0729","","","","","","0.975","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218326","40.059","0.005","5.6695","0.0005","9.7828","0.0012","90","","102.959","0.003","90","","2165.2","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 F4 I2 N4 O2 -","- C18 H18 F4 I2 N4 O2 -","- C72 H72 F16 I8 N16 O8 -","4","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0179","0.0142","","","0.0342","0.0361","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218327","4.9772","0.0012","10.655","0.003","12.169","0.003","71.067","0.002","88.865","0.003","86.924","0.002","609.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 F8 I2 N4 O2 -","- C20 H18 F8 I2 N4 O2 -","- C20 H18 F8 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0269","0.0225","","","0.0498","0.0525","","","","","","1.021","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218328","49.953","0.003","5.5707","0.0003","9.7257","0.0006","90","","95.234","0.002","90","","2695.1","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","DW-6-9 (3-pyridyl)-COHN-(CH2)4-NHCO-(3-pyridyl), I-(CF2)6-I","","- C22 H18 F12 I2 N4 O2 -","- C22 H18 F12 I2 N4 O2 -","- C88 H72 F48 I8 N16 O8 -","4","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0233","0.022","","","0.0567","0.0574","","","","","","1.033","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218329","54.569","0.003","5.6337","0.0003","9.7038","0.0006","90","","92.37","0.002","90","","2980.6","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","DW-6-18 (3-pyridyl)-COHN-(CH2)4-NHCO-(3-pyridyl), I-(CF2)8-I","","- C24 H18 F16 I2 N4 O2 -","- C24 H18 F16 I2 N4 O2 -","- C96 H72 F64 I8 N16 O8 -","4","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0326","0.0266","","","0.0618","0.0641","","","","","","1.07","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218330","12.7557","0.0006","9.5667","0.0005","9.7394","0.0005","90","","110.988","0.001","90","","1109.65","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DW-3-8 (3-pyridyl)-CONH-(CH2)4-NHCO-(3-pyridyl), I-(CF2)4-I","","- C18 H14 F8 I2 N4 O2 -","- C18 H14 F8 I2 N4 O2 -","- C36 H28 F16 I4 N8 O4 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0285","0.0252","","","0.0607","0.0631","","","","","","1.069","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218331","13.7352","0.0008","9.3958","0.0005","9.8519","0.0006","90","","103.888","0.002","90","","1234.25","0.12","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DW-3-9 (3-pyridyl)-CONH-(CH2)2-NHCO-(3-pyridyl), I-(CF2)6-I","","- C20 H14 F12 I2 N4 O2 -","- C20 H14 F12 I2 N4 O2 -","- C40 H28 F24 I4 N8 O4 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0242","0.0211","","","0.0472","0.0484","","","","","","1.034","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218332","15.1894","0.0018","9.3947","0.0011","9.8668","0.0011","90","","95.169","0.004","90","","1402.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DW-3-18 (3-pyridyl)-CONH-(CH2)2-NHCO-(3-pyridyl), I-(CF2)8-I","","- C22 H14 F16 I2 N4 O2 -","- C22 H14 F16 I2 N4 O2 -","- C44 H28 F32 I4 N8 O4 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0335","0.03","","","0.0897","0.1023","","","","","","1.213","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218333","16.176","0.003","25.626","0.005","28.494","0.006","90","","103.74","0.03","90","","11474","4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H54 Cl0 F48 Gd4 N12 Ni2 O29 -","- C82 H54 F48 Gd4 N12 Ni2 O29 -","- C328 H216 F192 Gd16 N48 Ni8 O116 -","4","1","","Liu, Cai-Ming; Zhang, Deqing; Zhu, Daoben","Hexanuclear [Ni2Ln4] clusters exhibiting enhanced magnetocaloric effect and slow magnetic relaxation","RSC Adv.","2014","","","","","10.1039/C4RA07882A","","","0.71073","MoKα","","0.0869","0.0741","","","0.1514","0.1583","","","","","","1.156","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218334","16.217","0.003","25.446","0.005","28.525","0.006","90","","104.02","0.03","90","","11420","4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H54 Cl0 Dy4 F48 N12 Ni2 O29 -","- C82 H54 Dy4 F48 N12 Ni2 O29 -","- C328 H216 Dy16 F192 N48 Ni8 O116 -","4","1","","Liu, Cai-Ming; Zhang, Deqing; Zhu, Daoben","Hexanuclear [Ni2Ln4] clusters exhibiting enhanced magnetocaloric effect and slow magnetic relaxation","RSC Adv.","2014","","","","","10.1039/C4RA07882A","","","0.71073","MoKα","","0.0821","0.0703","","","0.1432","0.1493","","","","","","1.156","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218335","7.8034","0.001","9.521","0.0013","30.485","0.004","90","","90","","90","","2264.9","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Br N3 O4 S -","- C25 H18 Br N3 O4 S -","- C100 H72 Br4 N12 O16 S4 -","4","1","","Xie, Jian-Wu; Fu, Zu-Kang; Pan, Jin-Yun; Xu, Dong-Cheng","Organocatalytic Domino Michael/Cyclization Reaction: Efficient Synthesis of Multi-functionalized Tetracyclic Spirooxindoles with Multiple Stereocenters","RSC Adv.","2014","","","","","10.1039/C4RA07860H","","","0.71073","MoKα","","0.0588","0.0372","","","0.0736","0.0798","","","","","","1.004","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7218336","9.0285","0.0003","9.3506","0.0003","14.1171","0.0005","107.993","0.002","99.488","0.002","93.745","0.002","1109.39","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H18 Br N3 O4 S -","- C25 H18 Br N3 O4 S -","- C50 H36 Br2 N6 O8 S2 -","2","1","","Xie, Jian-Wu; Fu, Zu-Kang; Pan, Jin-Yun; Xu, Dong-Cheng","Organocatalytic Domino Michael/Cyclization Reaction: Efficient Synthesis of Multi-functionalized Tetracyclic Spirooxindoles with Multiple Stereocenters","RSC Adv.","2014","","","","","10.1039/C4RA07860H","","","0.71073","MoKα","","0.06","0.0418","","","0.0954","0.1048","","","","","","1.022","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7218337","8.4034","0.0002","6.9101","0.0002","25.2649","0.0005","90","","91.635","0.001","90","","1466.49","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 O3 -","- C21 H14 O3 -","- C84 H56 O12 -","4","1","","Das, Sameeran Kr.; Mahanta, Sanjeev Pran; Bania, Kusum Kumar","Oxidative Coupling of 2-Naphthol by Zeolite-Y Supported Homo and Heterometallic Trinuclear Acetate Clusters","RSC Adv.","2014","","","","","10.1039/C4RA10103K","","","0.71073","MoKα","","0.0459","0.0405","","","0.1101","0.1148","","","","","","1.059","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218338","14.852","0.006","10.517","0.004","10.225","0.004","90","","125.15","0.02","90","","1305.9","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 N O -","- C18 H13 N O -","- C72 H52 N4 O4 -","4","0.5","","Liu, Nan; Wang, Bo; Chen, Wenwen; Liu, Chulong; Wang, Xinyan; Hu, Yuefei","A General Route for Synthesis of N-Aryl Phenoxazines via Copper(I)-Catalyzed N-, N-, and O-Arylations of 2-Aminophenols","RSC Adv.","2014","","","","","10.1039/C4RA09593F","","","0.71073","MoKα","","0.0845","0.0548","","","0.1633","0.1975","","","","","","1.076","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218339","7.345","0.003","8.053","0.003","14.531","0.005","91.821","0.006","100.056","0.006","115.273","0.005","759.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N6 O2 S -","- C13 H18 N6 O2 S -","- C26 H36 N12 O4 S2 -","2","1","","Saha, Rajat; Sengupta, Suman; Dey, Sanjoy Kumar; Steele, Ian M.; Bhattacharyya, Arindam; Biswas, Susobhan; Kumar, Sanjay","A pharmaceutical cocrystal with potential anticancer activity","RSC Adv.","2014","4","90","49070","","10.1039/C4RA03207A","","","0.71073","MoKα","","0.0791","0.0609","","","0.1461","0.1548","","","","","","0.951","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218340","10.2531","0.0003","9.5647","0.0003","17.478","0.0006","90","","104.131","0.002","90","","1662.16","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 S -","- C18 H20 N2 S -","- C72 H80 N8 S4 -","4","2","","Punniyamurthy, Tharmalingam; Sengoden, Mani; Vijay, Murugan; Balakumar, Emayavaramban","Efficient Pyrrolidine Catalyzed Cycloaddition of Aziridines with Isothiocyanates, Isoselenocyanates and Carbon Disulfide “On Water”","RSC Adv.","2014","","","","","10.1039/C4RA08902B","","","0.71073","MoKα","","0.0584","0.0464","","","0.137","0.1486","","","","","","1.024","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218341","10.118","0.003","11.051","0.003","21.051","0.005","90","","99.029","0.005","90","","2324.6","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cu N2 O10 -","- C26 H18 Cu N2 O10 -","- C104 H72 Cu4 N8 O40 -","4","0.5","","Kathalikkattil, Amal Cherian; Kim, Dong-Woo; Tharun, Jose; Soek, Han-Geul; Roshan, Roshith; Park, Dae-Won","Aqueous-microwave synthesized carboxyl functional molecular ribbon coordination framework catalyst for the synthesis of cyclic carbonates from epoxides and CO2","Green Chemistry","2014","16","3","1607","","10.1039/c3gc41833b","","","0.71073","MoKα","","0.0851","0.0525","","","0.1152","0.1316","","","","","","1.048","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218342","9.2374","0.0013","13.1931","0.0019","13.996","0.002","62.333","0.004","87.519","0.005","89.003","0.005","1509.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H72 Cl10 Cu N8 O4 -","- C54 H72 Cl10 Cu N8 O4 -","- C54 H72 Cl10 Cu N8 O4 -","1","0.5","","Li, Lei; Maddalena, Francesco; Oliveros, Malena; Caironi, Mario; Guo, Fang; Martí-Rujas, Javier","A second sphere coordination adduct containing one-dimensional water/methanol channels: X-ray structures, thermal stability and single crystal impedance spectroscopy analysis","CrystEngComm","2014","16","47","10888","","10.1039/C4CE01570C","","","1.54178","CuKα","","0.0465","0.0407","","","0.1105","0.1121","","","","","","1.056","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218343","9.3862","0.0016","13.686","0.002","13.827","0.002","60.772","0.011","85.924","0.013","85.375","0.014","1544","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4,4-methylene dianiline copper chloride","","- C53 H66 Cl12 Cu N8 -","- C53.002 H66.004 Cl12.004 Cu N8 -","- C53.002 H66.004 Cl12.004 Cu N8 -","1","0.5","","Li, Lei; Maddalena, Francesco; Oliveros, Malena; Caironi, Mario; Guo, Fang; Martí-Rujas, Javier","A second sphere coordination adduct containing one-dimensional water/methanol channels: X-ray structures, thermal stability and single crystal impedance spectroscopy analysis","CrystEngComm","2014","16","47","10888","","10.1039/C4CE01570C","","","1.54178","CuKα","","0.1912","0.1499","","","0.3867","0.4092","","","","","","1.524","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218344","27.4518","0.0011","27.4518","0.0011","18.2099","0.0008","90","","90","","90","","13723","1","100","2","100","2","","","","","","","","4","P 4 c c","P 4 -2c","103","","5,10,15,20-tetra(4-hydroxyphenyl)-21,23H-porphyrin nitrobenzene hexasolvate","","- C80 H60 N10 O16 -","- C80 H60 N10 O16 -","- C640 H480 N80 O128 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Oppel, Iris M.","Isomorphous free-base, Ni(ii)- and Cu(ii)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures","CrystEngComm","2014","16","45","10505","","10.1039/C4CE01881H","","","1.54178","CuKα","","0.0845","0.0776","","","0.2015","0.2099","","","","","","1.036","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218345","27.3385","0.0007","27.3385","0.0007","18.3255","0.0008","90","","90","","90","","13696.4","0.8","108","2","108","2","","","","","","","","5","P 4 c c","P 4 -2c","103","","5,10,15,20-tetra(4-hydroxyphenyl)porphyrinatonickel(II) nitrobenzene hexasolvate","","- C80 H58 N10 Ni O16 -","- C80 H58 N10 Ni O16 -","- C640 H464 N80 Ni8 O128 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Oppel, Iris M.","Isomorphous free-base, Ni(ii)- and Cu(ii)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures","CrystEngComm","2014","16","45","10505","","10.1039/C4CE01881H","","","0.71073","MoKα","","0.1655","0.0781","","","0.1737","0.218","","","","","","1.02","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218346","27.3921","0.0007","27.3921","0.0007","18.3185","0.0009","90","","90","","90","","13744.9","0.8","108","2","108","2","","","","","","","","5","P 4 c c","P 4 -2c","103","","5,10,15,20-tetra(4-hydroxyphenyl)porphyrinatocopper(II) nitrobenzene hexasolvate","","- C80 H58 Cu N10 O16 -","- C80 H58 Cu N10 O16 -","- C640 H464 Cu8 N80 O128 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Oppel, Iris M.","Isomorphous free-base, Ni(ii)- and Cu(ii)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures","CrystEngComm","2014","16","45","10505","","10.1039/C4CE01881H","","","0.71073","MoKα","","0.1366","0.0769","","","0.1768","0.2131","","","","","","1.024","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218354","11.378","0.005","12.184","0.005","23.328","0.005","83.715","0.005","81.99","0.005","70.714","0.005","3015.7","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H70 Cu5 Eu2 N20 O95 Si2 W22 -","- C44 H36 Cu5 Eu2 N20 O95 Si2 W22 -","- C44 H36 Cu5 Eu2 N20 O95 Si2 W22 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.0715","0.0511","","","0.1091","0.1312","","","","","","1.046","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218355","11.384","0.005","12.189","0.005","23.331","0.005","83.75","0.005","82.022","0.005","70.697","0.005","3019","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H66 Cu5 N20 O93 Si2 Sm2 W22 -","- C44 H36 Cu5 N20 O93 Si2 Sm2 W22 -","- C44 H36 Cu5 N20 O93 Si2 Sm2 W22 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.083","0.0584","","","0.1584","0.185","","","","","","1.017","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218356","11.458","0.0016","12.263","0.0018","24.833","0.004","94.768","0.002","100.812","0.002","114.139","0.002","3077.5","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H70 Cu5 Ho2 N20 O95 Si2 W22 -","- C44 H36 Cu5 Ho2 N20 O95 Si2 W22 -","- C44 H36 Cu5 Ho2 N20 O95 Si2 W22 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.0904","0.0586","","","0.1436","0.1669","","","","","","1.025","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218357","11.335","0.005","12.152","0.005","23.319","0.005","83.543","0.005","81.741","0.005","71.112","0.005","3000.1","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H70 Cu5 N20 O95 Si2 W22 Y2 -","- C44 H36 Cu5 N20 O95 Si2 W22 Y2 -","- C44 H36 Cu5 N20 O95 Si2 W22 Y2 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.0808","0.0506","","","0.1232","0.1439","","","","","","1.057","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218358","11.322","0.005","12.139","0.005","23.311","0.005","83.586","0.005","81.753","0.005","71.169","0.005","2993.6","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H68 Ce2 Cu5 N20 O94 Si2 W22 -","- C44 H36 Ce2 Cu5 N20 O94 Si2 W22 -","- C44 H36 Ce2 Cu5 N20 O94 Si2 W22 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.0705","0.0502","","","0.1169","0.1254","","","","","","1.033","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218359","10.765","0.002","11.596","0.003","12.705","0.003","77.594","0.011","65.275","0.011","65.336","0.011","1307.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 F3 N5 O2 S -","- C27 H22 F3 N5 O2 S -","- C54 H44 F6 N10 O4 S2 -","2","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0855","0.059","","","0.172","0.1915","","","","","","1.056","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218360","9.1324","0.0002","11.6423","0.0003","14.2374","0.0003","92.939","0.002","99.316","0.002","110.239","0.002","1392.12","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 F3 N5 O2 S -","- C29 H24 F3 N5 O2 S -","- C58 H48 F6 N10 O4 S2 -","2","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.1641","0.0624","","","0.143","0.1832","","","","","","0.96","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218361","7.989","0.0008","11.3277","0.0011","15.7937","0.0015","78.78","0.006","81.807","0.006","83.993","0.006","1383.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 F3 N5 O2 S -","- C29 H26 F3 N5 O2 S -","- C58 H52 F6 N10 O4 S2 -","2","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0961","0.0626","","","0.1597","0.1813","","","","","","1.013","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218362","21.71","0.004","9.5377","0.0016","27.024","0.005","90","","92.813","0.008","90","","5588.9","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H25 F3 N5 O2.5 S -","- C28.5 H25 F3 N5 O2.5 S -","- C228 H200 F24 N40 O20 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0811","0.0636","","","0.176","0.1955","","","","","","1.04","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7218363","21.952","0.004","9.4776","0.0017","27.112","0.004","90","","92.885","0.012","90","","5633.6","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 F3 N5 O2.5 S -","- C29 H26 F3 N5 O2.5 S -","- C232 H208 F24 N40 O20 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0996","0.0578","","","0.1318","0.1529","","","","","","1.01","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7218364","21.9683","0.0005","9.4685","0.0002","27.2121","0.0006","90","","93.42","0.001","90","","5650.2","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 F3 N5 O3 S -","- C29 H26 F3 N5 O3 S -","- C232 H208 F24 N40 O24 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.1109","0.0642","","","0.1725","0.2","","","","","","1.044","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218365","21.3705","0.0011","10.0269","0.0004","27.7028","0.0011","90","","91.927","0.004","90","","5932.8","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H27 F3 N5 O2.5 S -","- C30.5 H27 F3 N5 O2.5 S -","- C244 H216 F24 N40 O20 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0839","0.0634","","","0.1728","0.1899","","","","","","1.139","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7218366","21.606","0.003","10.0057","0.0016","27.794","0.005","90","","91.919","0.006","90","","6005.2","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 F3 N5 O2.5 S -","- C31 H28 F3 N5 O2.5 S -","- C248 H224 F24 N40 O20 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.2142","0.0823","","","0.2226","0.2987","","","","","","1.012","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7218367","21.5985","0.0015","9.937","0.0007","28.061","0.002","90","","92.248","0.003","90","","6017.9","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 F3 N5 O3 S -","- C31 H28 F3 N5 O3 S -","- C248 H224 F24 N40 O24 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.1288","0.0818","","","0.2448","0.2803","","","","","","1.072","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218368","12.9273","0.0011","9.3874","0.0009","18.211","0.0016","90","","107.861","0.004","90","","2103.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Br2 Co3 N4 O12 -","- C36 H34 Br2 Co3 N4 O12 -","- C72 H68 Br4 Co6 N8 O24 -","2","0.5","","Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís","The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks","CrystEngComm","2014","16","46","10649","","10.1039/C4CE01722F","","","0.71073","MoKα","","0.112","0.0774","","","0.195","0.2066","","","","","","1.006","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218369","12.9773","0.0006","9.4496","0.0004","18.231","0.0009","90","","108.237","0.002","90","","2123.38","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Br2 Co3 N4 O12 -","- C38 H38 Br2 Co3 N4 O12 -","- C76 H76 Br4 Co6 N8 O24 -","2","0.5","","Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís","The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks","CrystEngComm","2014","16","46","10649","","10.1039/C4CE01722F","","","0.71073","MoKα","","0.0458","0.0321","","","0.0742","0.0822","","","","","","0.952","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218370","13.0822","0.0012","9.7472","0.0008","18.0158","0.0016","90","","108.963","0.003","90","","2172.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Br2 Co3 N4 O12 -","- C40 H42 Br2 Co3 N4 O12 -","- C80 H84 Br4 Co6 N8 O24 -","2","0.5","","Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís","The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks","CrystEngComm","2014","16","46","10649","","10.1039/C4CE01722F","","","0.71073","MoKα","","0.0849","0.0474","","","0.0994","0.1142","","","","","","1.06","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218371","33.093","0.003","9.6403","0.0009","18.513","0.0019","90","","92.954","0.005","90","","5898.3","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 Co3 N4 O16 -","- C50 H50 Co3 N4 O16 -","- C200 H200 Co12 N16 O64 -","4","0.5","","Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís","The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks","CrystEngComm","2014","16","46","10649","","10.1039/C4CE01722F","","","0.71073","MoKα","","0.0939","0.068","","","0.1929","0.2061","","","","","","1.007","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218372","20.1617","0.0012","29.1275","0.0018","13.5247","0.0008","90","","130.048","0.002","90","","6080","0.7","123","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cu F6 I2 N4 P -","- C28 H24 Cu F6 I2 N4 P -","- C224 H192 Cu8 F48 I16 N32 P8 -","8","1","","Malzner, Frederik J.; Brauchli, Sven Y.; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus","Halos show the path to perfection: peripheral iodo-substituents improve the efficiencies of bis(diimine)copper(i) dyes in DSCs","RSC Adv.","2014","4","89","48712","","10.1039/C4RA06823H","","","1.5418","CuKα","","0.0251","0.0251","","0.0263","0.0261","0.0261","","","","","","1.0853","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218374","5.5637","0.0011","12.141","0.002","13.461","0.003","71.91","0.03","87.24","0.03","82.88","0.03","857.6","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O6 -","- C20 H21 N O6 -","- C40 H42 N2 O12 -","2","1","","Meng, Xiangtai; Liu, yufen; Zhang, qi; Du, yanlong; Yu, aimin; Zhang, Kui","Convenient Synthesis of Substituted Tetrahydrofuran via Lewis Base Catalyzed [3+2] Domino Reactions","RSC Adv.","2014","","","","","10.1039/C4RA09249J","","","0.71073","MoKα","","0.0489","0.0349","","","0.0958","0.1052","","","","","","0.902","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218375","9.5427","0.0019","9.677","0.002","11.933","0.002","93.455","0.004","99.378","0.004","97.885","0.004","1073.1","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O6 -","- C25 H23 N O6 -","- C50 H46 N2 O12 -","2","1","","Meng, Xiangtai; Liu, yufen; Zhang, qi; Du, yanlong; Yu, aimin; Zhang, Kui","Convenient Synthesis of Substituted Tetrahydrofuran via Lewis Base Catalyzed [3+2] Domino Reactions","RSC Adv.","2014","","","","","10.1039/C4RA09249J","","","0.71073","MoKα","","0.0574","0.0495","","","0.1392","0.1445","","","","","","1.057","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218376","12.0466","0.0011","11.5265","0.001","16.5292","0.0014","90","","101.315","0.002","90","","2250.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O6 -","- C26 H25 N O6 -","- C104 H100 N4 O24 -","4","1","","Meng, Xiangtai; Liu, yufen; Zhang, qi; Du, yanlong; Yu, aimin; Zhang, Kui","Convenient Synthesis of Substituted Tetrahydrofuran via Lewis Base Catalyzed [3+2] Domino Reactions","RSC Adv.","2014","","","","","10.1039/C4RA09249J","","","0.71073","MoKα","","0.0564","0.0451","","","0.1159","0.1242","","","","","","1.032","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218377","10.2141","0.0003","11.6147","0.0004","17.2905","0.0006","73.605","0.003","81.162","0.003","84.055","0.003","1940.54","0.12","142.95","0.1","142.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 Cl4 N5 P Ru -","- C44 H38 Cl4 N5 P Ru -","- C88 H76 Cl8 N10 P2 Ru2 -","2","1","","Zhu, Zhu; Zhang, Jie; Fu, Haiyan; Yuan, Maolin; Zheng, Xueli; Chen, Hua; li, ruixiang","Construction of Pincer-Type symmetrical Ruthenium(II) complexes bearing a Pyridyl-2,6-Pyrazolyl Arms: Catalytic Behavior in Transfer Hydrogenation of Ketones","RSC Adv.","2014","","","","","10.1039/C4RA07524B","","","0.7107","MoKα","","0.0657","0.0473","","","0.1211","0.1305","","","","","","1.042","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218378","12.4349","0.0004","14.1604","0.0004","21.7232","0.0008","90","","90","","90","","3825.1","0.2","140","0.1","140","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 Cl2 N5 P Ru -","- C33 H32 Cl2 N5 P Ru -","- C132 H128 Cl8 N20 P4 Ru4 -","4","1","","Zhu, Zhu; Zhang, Jie; Fu, Haiyan; Yuan, Maolin; Zheng, Xueli; Chen, Hua; li, ruixiang","Construction of Pincer-Type symmetrical Ruthenium(II) complexes bearing a Pyridyl-2,6-Pyrazolyl Arms: Catalytic Behavior in Transfer Hydrogenation of Ketones","RSC Adv.","2014","","","","","10.1039/C4RA07524B","","","0.7107","MoKα","","0.0532","0.0446","","","0.1213","0.1266","","","","","","1.059","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218379","14.1942","0.0013","13.4679","0.0013","12.894","0.0012","90","","112.384","0.007","90","","2279.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(4-methoxyphenyl)-5<i>H</i>-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C96 H72 N24 O16 S8 -","8","1","","Dong, Hong Ru; Gao, Zhong Lian; Li, Rong Shan; Hu, Yi Ming; Dong, Heng Shan; Xie, Zhixiang","One-pot synthesis of 5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one derivatives","RSC Adv.","2014","","","","","10.1039/C4RA02714K","","","0.71073","MoKα","","0.0677","0.0422","","","0.0982","0.1099","","","","","","1.026","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218380","10.838","0.004","4.9244","0.0019","20.011","0.007","90","","98.505","0.006","90","","1056.3","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H6 Cl N3 O S -","- C11 H6 Cl N3 O S -","- C44 H24 Cl4 N12 O4 S4 -","4","1","","Dong, Hong Ru; Gao, Zhong Lian; Li, Rong Shan; Hu, Yi Ming; Dong, Heng Shan; Xie, Zhixiang","One-pot synthesis of 5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one derivatives","RSC Adv.","2014","","","","","10.1039/C4RA02714K","","","0.71073","MoKα","","0.0397","0.033","","","0.0846","0.0902","","","","","","1.027","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218381","18.6843","0.0007","18.6843","0.0007","38.6052","0.0012","90","","90","","120","","11671.6","0.7","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C38 H47 Cu2 N5 O16 -","- C26 H14 Cu2 O10 -","- C234 H126 Cu18 O90 -","9","0.25","","Cai, Jianfeng; Lin, Yichao; Yu, Jiancan; Wu, Chuande; Chen, Liang; Cui, Yuanjing; Yang, Yu; Chen, Banglin; Qian, Guodong","A NbO type microporous metal‒organic framework constructed from a naphthalene derived ligand for CH4and C2H2storage at room temperature","RSC Adv.","2014","4","90","49457","","10.1039/C4RA07219G","","","0.71073","MoKα","","0.0586","0.0466","","","0.138","0.145","","","","","","1.057","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218382","6.2196","0.0009","6.2196","0.0009","29.812","0.009","90","","90","","120","","998.7","0.4","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ca Cs4 F12 Mg3 -","- Ca Cs4 F12 Mg3 -","- Ca3 Cs12 F36 Mg9 -","3","0.0833333","","Pan, ShiLie; Wang, Zheng; Jing, Qun; Zhang, Min; Dong, Xiaoyu; Yang, Zhihua","Cs4Mg3CaF12: Structural Transition Derived from the Partial Substitution of Mg2+ with Ca2+","RSC Adv.","2014","","","","","10.1039/C4RA07819E","","","0.71073","MoKα","","0.0123","0.011","","","0.0247","0.0256","","","","","","1.202","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218383","8.6702","0.0006","14.5121","0.001","15.1558","0.0011","113.704","0.003","95.764","0.002","95.945","0.003","1715.4","0.2","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 Cu4 N8 O22 S4 -","- C64 H60 Cu4 N8 O22 S4 -","- C64 H60 Cu4 N8 O22 S4 -","1","0.5","","Hazra, Susanta; Mukherjee, Sanghamitra; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","A cyclic tetranuclear cuboid type copper(ii) complex doubly supported by cyclohexane-1,4-dicarboxylate: molecular and supramolecular structure and cyclohexane oxidation activity","RSC Adv.","2014","4","89","48449","","10.1039/C4RA06986B","","","0.71069","MoKα","","0.1102","0.0476","","","0.0968","0.1133","","","","","","0.86","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218384","4.6871","0.0006","5.3721","0.0007","15.9","0.002","90","","97.381","0.002","90","","397.04","0.09","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H7 Br O2 -","- C8 H7 Br O2 -","- C16 H14 Br2 O4 -","2","1","","Wu, An-Xin; Wu, Xia; Gao, Qinghe; Lian, Mi; Liu, Shan","Direct Synthesis of α-Hydroxyacetophenones Through Molecule Iodine Activation of Carbon‒Carbon Double Bonds","RSC Adv.","2014","","","","","10.1039/C4RA07012G","","","0.71073","MoKα","","0.0282","0.0266","","","0.0699","0.0707","","","","","","1.075","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218385","13.414","0.003","4.5553","0.0008","15.692","0.003","90","","100.321","0.003","90","","943.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Br I O -","- C8 H8 Br I O -","- C32 H32 Br4 I4 O4 -","4","1","","Wu, An-Xin; Wu, Xia; Gao, Qinghe; Lian, Mi; Liu, Shan","Direct Synthesis of α-Hydroxyacetophenones Through Molecule Iodine Activation of Carbon‒Carbon Double Bonds","RSC Adv.","2014","","","","","10.1039/C4RA07012G","","","0.71073","MoKα","","0.0609","0.0368","","","0.1089","0.1427","","","","","","1.106","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218386","8.4445","0.0006","19.2694","0.0014","20.5785","0.0016","90","","90","","90","","3348.5","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C168 H120 N24 O16 -","8","1","","Qian, Zhiwei; Yang, Anjiang; Yu, Ting; Ma, Lanping; Wang, Xin; Zhang, Yongliang; Shen, Jingkang; Meng, Tao","An efficient synthesis of novel dibenzoxdiazepine-fused heterocycles through multicomponent reaction","RSC Adv.","2014","","","","","10.1039/C4RA09196E","","","0.71073","MoKα","","0.0521","0.0406","","","0.1161","0.1213","","","","","","1.57","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218387","17.511","0.014","8.066","0.006","26.88","0.02","90","","90","","90","","3797","5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H14 F3 N3 O2 -","- C22 H14 F3 N3 O2 -","- C176 H112 F24 N24 O16 -","8","2","","Qian, Zhiwei; Yang, Anjiang; Yu, Ting; Ma, Lanping; Wang, Xin; Zhang, Yongliang; Shen, Jingkang; Meng, Tao","An efficient synthesis of novel dibenzoxdiazepine-fused heterocycles through multicomponent reaction","RSC Adv.","2014","","","","","10.1039/C4RA09196E","","","0.71073","MoKα","","0.1518","0.0647","","","0.1095","0.1333","","","","","","1.035","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218388","8.9605","0.0002","10.9173","0.0003","12.2318","0.0003","90","","102.135","0.002","90","","1169.83","0.05","120","0.14","120","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H16 N3 O P -","- C10 H16 N3 O P -","- C40 H64 N12 O4 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.0452","0.0334","","","0.0404","0.0411","","","","2.33","2.33","2.15","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218389","9.3055","0.0003","10.8856","0.0003","12.9523","0.0004","90","","93.386","0.002","90","","1309.73","0.07","120","0.14","120","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H20 N3 O P -","- C12 H20 N3 O P -","- C48 H80 N12 O4 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0361","0.0303","","","0.0383","0.0391","","","","2.31","2.31","2.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218390","10.5318","0.0003","9.1502","0.0003","40.9969","0.001","90","","90","","90","","3950.8","0.2","120","0.1","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N3 O P -","- C22 H26 N3 O P -","- C176 H208 N24 O8 P8 -","8","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0426","0.0316","","","0.039","0.0399","","","","2.11","2.11","1.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218391","36.2225","0.0016","36.2225","0.0016","5.4306","0.0002","90","","90","","90","","7125.3","0.5","120","0.1","120","","","","","","","","","5","I 41/a :1","I 4bw -1bw","88","","","","- C20 H22 N3 O P -","- C20 H22 N3 O P -","- C320 H352 N48 O16 P16 -","16","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0617","0.0407","","","0.0433","0.046","","","","1.9","1.9","1.73","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218392","9.4194","0.0002","9.5502","0.0002","10.1063","0.0003","106.381","0.002","91.21","0.002","115.19","0.002","778.78","0.04","119.8","0.3","119.8","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H22 Cl2 N3 O2 P Sn0 -","- C10 H22 Cl2 N3 O2 P -","- C20 H44 Cl4 N6 O4 P2 -","2","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.0365","0.0289","","","0.0824","0.0856","","","","1.48","1.48","1.41","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218393","11.3283","0.0003","11.3283","0.0003","14.4747","0.0003","90","","90","","90","","1857.54","0.08","119.8","0.6","119.8","","","","","","","","","6","P 43","P 4cw","78","","","","- C14 H26 Cl2 N3 O2 P -","- C14 H26 Cl2 N3 O2 P -","- C56 H104 Cl8 N12 O8 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.049","0.0336","","","0.03","0.0316","","","","1.46","1.46","1.4","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218394","13.2836","0.0003","9.9293","0.0002","17.5975","0.0005","90","","109.596","0.002","90","","2186.62","0.09","119.9","0.6","119.9","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Cl2 N3 O2 P -","- C19 H28 Cl2 N3 O2 P -","- C76 H112 Cl8 N12 O8 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.0453","0.0303","","","0.0332","0.0348","","","","1.88","1.88","1.74","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218395","11.3453","0.0004","12.3967","0.0004","25.1236","0.0008","94.263","0.002","98.121","0.003","116.378","0.003","3096.2","0.2","120","0.14","120","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 Cl2 N3 O2 P -","- C35 H32 Cl2 N3 O2 P -","- C140 H128 Cl8 N12 O8 P4 -","4","2","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0387","0.0296","","","0.0656","0.0698","","","","1.44","1.44","1.37","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218399","7.9933","0.0015","11.481","0.002","12.651","0.002","86.659","0.014","72.316","0.013","86.751","0.014","1103.3","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H19 N3 O2 -","- C29 H19 N3 O2 -","- C58 H38 N6 O4 -","2","1","","Gao, peng; Gong, Weitao; Li, Gang; Hassan, Mehdi; Ning, Guiling; Yu, jingjie","Construction of Fluorescence-tunable Pyrido-Fused Benzimidazoles via Direct Intramolecular C-H amination under Transition-Metal-Free Conditions","RSC Adv.","2014","","","","","10.1039/C4RA08954E","","","0.71073","MoKα","","0.0914","0.0574","","","0.1517","0.1823","","","","","","0.989","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218400","16.466","0.004","16.466","0.004","14.115","0.006","90","","90","","90","","3827","2","296","2","296","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- Cu4 H23 N0 Na2 O76 Sb2 W18 -","- Cu4 Na2 O76 Sb2 W18 -","- Cu8 Na4 O152 Sb4 W36 -","2","0.25","","Xue, Xiaolong; Zhao, Xiaofang; Zhang, Deshun; Han, Zhangang; Yu, haitao; Zhai, Xueliang","Synthesis of a Novel CuI/CuII-containing Sandwich-type Cluster and Its Catalytic Electron Transfer Property","RSC Adv.","2014","","","","","10.1039/C4RA08145E","","","0.71073","MoKα","","0.0302","0.0265","","","0.0651","0.0674","","","","","","1.045","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218401","16.9655","0.0008","8.32","0.0004","17.1232","0.0008","90","","106.275","0.002","90","","2320.14","0.19","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N O7 S -","- C25 H27 N O7 S -","- C100 H108 N4 O28 S4 -","4","1","","Senthil, K.; Kalainathan, S.; Kumar, A. Ruban; Aravindan, P.G","Investigation on synthesis, crystal structure and third-order NLO properties of a new stilbazolium derivative crystal: A promising material for nonlinear optical devices","RSC Adv.","2014","","","","","10.1039/C4RA09112D","","","0.71073","MoKα","","0.0389","0.0331","","","0.0832","0.0887","","","","","","1.047","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218402","12.511","0.003","10.165","0.002","12.487","0.003","90","","102.05","0.03","90","","1553","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N10 O8 Zn2 -","- C7 H13 N10 O8 Zn2 -","- C28 H52 N40 O32 Zn8 -","4","1","","Zhao, Fanghua; Zheng, Jimin","Two 3D photoluminescent Zn(II) complexes constructed from 5-amino-1-H-tetrazole with aromatic polycarboxylate ligands","RSC Adv.","2014","","","","","10.1039/C4RA09588J","","","0.71073","MoKα","","0.0804","0.0676","","","0.1816","0.1916","","","","","","1.029","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218403","19.474","0.004","9.849","0.002","12.064","0.002","90","","96.55","0.03","90","","2298.8","0.8","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N12 O10 Zn3 -","- C16 H14 N12 O10 Zn3 -","- C64 H56 N48 O40 Zn12 -","4","0.5","","Zhao, Fanghua; Zheng, Jimin","Two 3D photoluminescent Zn(II) complexes constructed from 5-amino-1-H-tetrazole with aromatic polycarboxylate ligands","RSC Adv.","2014","","","","","10.1039/C4RA09588J","","","0.71073","MoKα","","0.0348","0.0268","","","0.062","0.065","","","","","","1.052","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218404","7.1884","0.0002","10.329","0.0003","12.3618","0.0004","90","","90","","90","","917.85","0.05","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- O11 P Rb V2 -","- O11 P Rb V2 -","- O44 P4 Rb4 V8 -","4","1","","Gautier, R.; Auguste, S.; Clevers, S.; Dupray, V.; Coquerel, G.; Le Fur, E.","Influence of the cation size on the second harmonic generation response of chiral A(VO2)2(PO4)·3H2O (A = K+, NH4+and Rb+)","CrystEngComm","2014","16","47","10902","","10.1039/C4CE01847H","","x-ray","0.71069","MoKα","","0.0537","0.0386","","","0.0702","0.0748","","","","","","1.161","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218405","7.1203","0.0001","10.1782","0.0002","12.3477","0.0003","90","","90","","90","","894.86","0.03","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- K O11 P V2 -","- K O11 P V2 -","- K4 O44 P4 V8 -","4","1","","Gautier, R.; Auguste, S.; Clevers, S.; Dupray, V.; Coquerel, G.; Le Fur, E.","Influence of the cation size on the second harmonic generation response of chiral A(VO2)2(PO4)·3H2O (A = K+, NH4+and Rb+)","CrystEngComm","2014","16","47","10902","","10.1039/C4CE01847H","","x-ray","0.71069","MoKα","","0.0292","0.0263","","","0.0679","0.0687","","","","","","1.217","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218410","10.6792","0.0015","9.1741","0.0014","9.0549","0.0012","90","","100.211","0.003","90","","873.1","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-1,4-cyclohexanedimethanol","","- C8 H16 O2 -","- C8 H16 O2 -","- C32 H64 O8 -","4","1","","Rosado, Mário T. S.; Maria, Teresa M. R.; Castro, Ricardo A. E.; Canotilho, João; Silva, Manuela Ramos; Eusébio, M. Ermelinda S.","Molecular structure and polymorphism of a cyclohexanediol: trans-1,4-cyclohexanedimethanol","CrystEngComm","2014","16","48","10977","","10.1039/C4CE01211A","","","0.71073","MoKα","","0.1269","0.0533","","","0.1261","0.1573","","","","","","0.99","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218411","5.1064","0.0004","5.1749","0.0004","16.3054","0.001","88.25","0.005","81.485","0.005","79.662","0.005","419.2","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","trans-1,4-cyclohexanedimethanol","","- C8 H16 O2 -","- C8 H16 O2 -","- C16 H32 O4 -","2","1","","Rosado, Mário T. S.; Maria, Teresa M. R.; Castro, Ricardo A. E.; Canotilho, João; Silva, Manuela Ramos; Eusébio, M. Ermelinda S.","Molecular structure and polymorphism of a cyclohexanediol: trans-1,4-cyclohexanedimethanol","CrystEngComm","2014","16","48","10977","","10.1039/C4CE01211A","","","0.71073","MoKα","","0.1254","0.06","","","0.1756","0.2336","","","","","","0.917","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218412","7.917","0.005","12.258","0.005","20.049","0.005","90","0.005","96.658","0.005","90","0.005","1932.6","1.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9.75 H9.75 N9.75 O9.75 -","- C19 H15 N5 O7 -","- C76 H60 N20 O28 -","4","1","","Pan, Jianting; Tang, Fang; Ding, Aixiang; kong, lin; Yang, Long-Mei; Tao, Xutang; Tian, Yupeng; Yang, Jiaxiang","A small-molecule chemosensor for the selective detection of 2,4,6-trinitrophenol (TNP)","RSC Adv.","2014","","","","","10.1039/C4RA07957D","","","0.71069","MoKα","","0.1211","0.0802","","","0.1862","0.2164","","","","","","1.032","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218413","6.5135","0.0013","7.3675","0.001","13.814","0.002","78.153","0.013","76.412","0.016","90.06","0.014","629.78","0.19","297.1","0.3","297.1","0.3","","","","","","","","3","P -1","-P 1","2","","","","- C17 H13 N -","- C17 H13 N -","- C34 H26 N2 -","2","1","","Yan, Rulong; Zhou, Xiaoqiang; Li, Ming; Li, Xiaoni; Kang, Xing; Liu, Xingxing; Huo, Xing; Huang, Guosheng","Metal-free synthesis of substituted pyridines from aldehydes and NH4OAc under air","RSC Adv.","2014","4","92","50369","","10.1039/C4RA10880A","","","0.7107","MoKα","","0.1594","0.0948","","","0.2805","0.3187","","","","","","1.019","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218414","13.2004","0.0004","26.6638","0.0012","22.1197","0.0006","90","","96.526","0.003","90","","7735.1","0.5","298","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H70 N19 Na3 Ni4 O18 -","- C60 H70 N19 Na3 Ni4 O18 -","- C240 H280 N76 Na12 Ni16 O72 -","4","1","","zhang, shu hua; Zhao, Ru-Xiao; li, gui; ZHANG, hai yang; Zhang, Chun Lian; Muller, Gilles","Structural Variation from Heterometallic Heptanuclear, Heptanuclear to Cubane Clusters Based on 2-hydroxy-3-ethoxy-benzaldehyde: Effects of pH and Temperature","RSC Adv.","2014","","","","","10.1039/C4RA09687H","","","0.71073","MoKα","","0.0946","0.0549","","","0.1511","0.1797","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218415","13.2448","0.0005","26.5297","0.0009","22.1593","0.0006","90","","96.648","0.003","90","","7734","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H70 Co4 N19 Na3 O18 -","- C60 H70 Co4 N19 Na3 O18 -","- C240 H280 Co16 N76 Na12 O72 -","4","1","","zhang, shu hua; Zhao, Ru-Xiao; li, gui; ZHANG, hai yang; Zhang, Chun Lian; Muller, Gilles","Structural Variation from Heterometallic Heptanuclear, Heptanuclear to Cubane Clusters Based on 2-hydroxy-3-ethoxy-benzaldehyde: Effects of pH and Temperature","RSC Adv.","2014","","","","","10.1039/C4RA09687H","","","0.71073","MoKα","","0.11","0.0716","","","0.1863","0.2229","","","","","","1.07","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218416","14.6487","0.0007","14.6487","0.0007","9.6629","0.0005","90","","90","","120","","1795.71","0.15","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H72 Cl2 Ni7 O32 -","- C60 H72 Cl2 Ni7 O32 -","- C60 H72 Cl2 Ni7 O32 -","1","0.166667","","zhang, shu hua; Zhao, Ru-Xiao; li, gui; ZHANG, hai yang; Zhang, Chun Lian; Muller, Gilles","Structural Variation from Heterometallic Heptanuclear, Heptanuclear to Cubane Clusters Based on 2-hydroxy-3-ethoxy-benzaldehyde: Effects of pH and Temperature","RSC Adv.","2014","","","","","10.1039/C4RA09687H","","","0.71073","MoKα","","0.0746","0.0547","","","0.1596","0.1865","","","","","","1.008","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218417","14.818","0.0011","14.818","0.0011","9.3912","0.0011","90","","90","","120","","1785.8","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H72 Cl2 Co7 O32 -","- C60 H72 Cl2 Co7 O32 -","- C60 H72 Cl2 Co7 O32 -","1","0.166667","","zhang, shu hua; Zhao, Ru-Xiao; li, gui; ZHANG, hai yang; Zhang, Chun Lian; Muller, Gilles","Structural Variation from Heterometallic Heptanuclear, Heptanuclear to Cubane Clusters Based on 2-hydroxy-3-ethoxy-benzaldehyde: Effects of pH and Temperature","RSC Adv.","2014","","","","","10.1039/C4RA09687H","","","0.71073","MoKα","","0.0757","0.0566","","","0.1464","0.1657","","","","","","1.008","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218418","17.0166","0.0004","17.0166","0.0004","18.7995","0.0008","90","","90","","90","","5443.7","0.3","293","2","293","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C44 H68 Co4 O22 -","- C44 H68 Co4 O22 -","- C176 H272 Co16 O88 -","4","0.25","","zhang, shu hua; Zhao, Ru-Xiao; li, gui; ZHANG, hai yang; Zhang, Chun Lian; Muller, Gilles","Structural Variation from Heterometallic Heptanuclear, Heptanuclear to Cubane Clusters Based on 2-hydroxy-3-ethoxy-benzaldehyde: Effects of pH and Temperature","RSC Adv.","2014","","","","","10.1039/C4RA09687H","","","0.71073","MoKα","","0.0714","0.0543","","","0.1788","0.2013","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218419","9.774","0.002","9.83","0.002","9.908","0.002","91.7","0.03","110.52","0.03","106.41","0.03","846.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Cl N3 O2 S -","- C17 H14 Cl N3 O2 S -","- C34 H28 Cl2 N6 O4 S2 -","2","1","","Liu, Qi; Chen, Kai; Wang, Qiang; Ni, Jueping; Li, Yufeng; Zhu, Hongjun; Ding, Yuan","Synthesis, Insecticidal Activity, Structure‒Activity Relationship (SAR) and Density Functional Theory (DFT) of Novel Anthranilic Diamides Analogs Containing 1,3,4-Oxadiazole Rings","RSC Adv.","2014","","","","","10.1039/C4RA06356B","","","0.71073","MoKα","","0.1088","0.0696","","","0.1495","0.171","","","","","","1.008","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218421","44.361","0.003","19.8427","0.001","31.175","0.002","90","","128.983","0.006","90","","21331","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Q[8]HV2+","","","- C70 H150 Cl2 N34 O50 -","- C70 H82 N34 O16 -","- C560 H656 N272 O128 -","8","1","","Liu, Jing Xin; Tao, Zhu; Lin, Rui-Lian; Sun, Wen-Qi; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Zheng, Li-Mei","Self-assembly of cucurbit[8]uril-based polypseudorotaxanes using host‒guest interactions","RSC Adv.","2014","","","","","10.1039/C4RA08636H","","","0.71073","MoKα","","0.1668","0.0674","","","0.1494","0.1697","","","","","","1.006","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218422","25.547","0.01","24.005","0.01","15.446","0.006","90","","92.07","0.006","90","","9466","7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Q[8]C3PA2+","","","- C138 H258 Br4 N68 O69 -","- C138 H184 Br4 N68 O69 -","- C276 H368 Br8 N136 O138 -","2","0.5","","Liu, Jing Xin; Tao, Zhu; Lin, Rui-Lian; Sun, Wen-Qi; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Zheng, Li-Mei","Self-assembly of cucurbit[8]uril-based polypseudorotaxanes using host‒guest interactions","RSC Adv.","2014","","","","","10.1039/C4RA08636H","","","0.71073","MoKα","","0.2301","0.127","","","0.3125","0.3676","","","","","","1.027","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218423","14.69","0.01","16.86","0.01","17.36","0.01","113.62","0.02","101.51","0.04","102.11","0.01","3654","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H80 Cl N4 O20 S3 -","- C64 H80 Cl N4 O19 S3 -","- C128 H160 Cl2 N8 O38 S6 -","2","1","","Bonaccorso, Carmela; Brancatelli, Giovanna; Forte, Giuseppe; Arena, Giuseppe; Geremia, Silvano; Sciotto, Domenico; Sgarlata, Carmelo","Factors driving the self-assembling of water-soluble calix[4]arene and gemini guests: a combined solution, computational and solid-state study","RSC Adv.","2014","","","","","10.1039/C4RA09353D","","","0.8","","","0.1168","0.1119","","","0.2909","0.2949","","","","","","1.016","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218424","15.4765","0.0002","18.1323","0.0003","23.5934","0.0001","100.475","0.004","98.972","0.003","98.56","0.01","6323","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H142 Cl4 N8 O44 S4 -","- C112 H141.82 Cl4 N8 O43.85 S4 -","- C224 H283.64 Cl8 N16 O87.7 S8 -","2","1","","Bonaccorso, Carmela; Brancatelli, Giovanna; Forte, Giuseppe; Arena, Giuseppe; Geremia, Silvano; Sciotto, Domenico; Sgarlata, Carmelo","Factors driving the self-assembling of water-soluble calix[4]arene and gemini guests: a combined solution, computational and solid-state study","RSC Adv.","2014","","","","","10.1039/C4RA09353D","","","0.7","","","0.091","0.0872","","","0.2211","0.2235","","","","","","1.074","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218425","35.5","0.02","35.5","0.02","14.8","0.01","90","","90","","120","","16153","17","100","2","100","2","","","","","","","","6","P 32","P 32","145","","","","- C168 H215.67 Cl6 N12 O46 S6 -","- C168 H215.7 Cl6 N12 O46 S6 -","- C504 H647.1 Cl18 N36 O138 S18 -","3","1","","Bonaccorso, Carmela; Brancatelli, Giovanna; Forte, Giuseppe; Arena, Giuseppe; Geremia, Silvano; Sciotto, Domenico; Sgarlata, Carmelo","Factors driving the self-assembling of water-soluble calix[4]arene and gemini guests: a combined solution, computational and solid-state study","RSC Adv.","2014","","","","","10.1039/C4RA09353D","","","0.7","","","0.0864","0.082","","","0.2123","0.2202","","","","","","1.044","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218426","14.29","0.001","30.628","0.002","10.624","0.002","90","","90.29","0.03","90","","4649.8","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Cl2 N2 O4.5 -","- C20 H28 Cl2 N2 O4.5 -","- C160 H224 Cl16 N16 O36 -","8","1","","Bonaccorso, Carmela; Brancatelli, Giovanna; Forte, Giuseppe; Arena, Giuseppe; Geremia, Silvano; Sciotto, Domenico; Sgarlata, Carmelo","Factors driving the self-assembling of water-soluble calix[4]arene and gemini guests: a combined solution, computational and solid-state study","RSC Adv.","2014","","","","","10.1039/C4RA09353D","","","0.7","","","0.1207","0.0798","","","0.2089","0.2436","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218427","12.5992","0.0006","7.8436","0.0004","30.4801","0.0013","90","","90","","90","","3012.1","0.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H31 Cu2 N6 O10.5 -","- C26 H30 Cu2 N6 O10.52 -","- C104 H120 Cu8 N24 O42.08 -","4","0.5","","Xie, Jing-Bo; Bao, Jia-Jing; Li, Hong-Xi; Tan, Da-Wei; Li, Hai-Yan; Lang, Jian-Ping","An efficient approach to the ammoxidation of alcohols to nitriles and the aerobic oxidation of alcohols to aldehydes in water using Cu(II)/pypzacac complexes as catalysts","RSC Adv.","2014","","","","","10.1039/C4RA11743C","","","0.71073","MoKα","","0.0507","0.033","","","0.0772","0.0843","","","","","","1.089","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218428","10.9883","0.0004","12.4084","0.0005","16.1803","0.0006","75.07","0.002","85.468","0.002","72.003","0.002","2027.37","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H44 Cu2 N10 O18 -","- C31 H34 Cu2 N10 O18 -","- C62 H68 Cu4 N20 O36 -","2","1","","Xie, Jing-Bo; Bao, Jia-Jing; Li, Hong-Xi; Tan, Da-Wei; Li, Hai-Yan; Lang, Jian-Ping","An efficient approach to the ammoxidation of alcohols to nitriles and the aerobic oxidation of alcohols to aldehydes in water using Cu(II)/pypzacac complexes as catalysts","RSC Adv.","2014","","","","","10.1039/C4RA11743C","","","0.71073","MoKα","","0.1133","0.0707","","","0.1589","0.1691","","","","","","1.129","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218429","9.9313","0.0005","10.6591","0.0008","10.9968","0.0006","112.268","0.006","114.296","0.006","96.811","0.005","928.42","0.14","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 Cu2 N6 O16 S2 -","- C26 H38 Cu2 N6 O16 S2 -","- C26 H38 Cu2 N6 O16 S2 -","1","0.5","","Xie, Jing-Bo; Bao, Jia-Jing; Li, Hong-Xi; Tan, Da-Wei; Li, Hai-Yan; Lang, Jian-Ping","An efficient approach to the ammoxidation of alcohols to nitriles and the aerobic oxidation of alcohols to aldehydes in water using Cu(II)/pypzacac complexes as catalysts","RSC Adv.","2014","","","","","10.1039/C4RA11743C","","","0.71073","MoKα","","0.0474","0.0373","","","0.0867","0.0919","","","","","","1.038","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218430","13.2169","0.0003","14.6198","0.0005","15.2117","0.0005","75.84","0.003","79.165","0.002","78.964","0.002","2766.38","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H45 Cl3 Cu2 N12 O21 -","- C44 H41 Cl3 Cu2 N12 O21 -","- C88 H82 Cl6 Cu4 N24 O42 -","2","1","","Xie, Jing-Bo; Bao, Jia-Jing; Li, Hong-Xi; Tan, Da-Wei; Li, Hai-Yan; Lang, Jian-Ping","An efficient approach to the ammoxidation of alcohols to nitriles and the aerobic oxidation of alcohols to aldehydes in water using Cu(II)/pypzacac complexes as catalysts","RSC Adv.","2014","","","","","10.1039/C4RA11743C","","","1.54178","CuKα","","0.0789","0.0717","","","0.2186","0.2267","","","","","","1.052","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218431","9.1736","0.0005","6.8909","0.0004","16.9201","0.0009","90","","103.292","0.002","90","","1040.94","0.1","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl Cu N3 O2 -","- C10 H8 Cl Cu N3 O2 -","- C40 H32 Cl4 Cu4 N12 O8 -","4","1","","Xie, Jing-Bo; Bao, Jia-Jing; Li, Hong-Xi; Tan, Da-Wei; Li, Hai-Yan; Lang, Jian-Ping","An efficient approach to the ammoxidation of alcohols to nitriles and the aerobic oxidation of alcohols to aldehydes in water using Cu(II)/pypzacac complexes as catalysts","RSC Adv.","2014","","","","","10.1039/C4RA11743C","","","0.71073","MoKα","","0.0321","0.0245","","","0.0584","0.0613","","","","","","1.073","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218432","9.0785","0.0006","22.8156","0.0016","8.3584","0.0005","90","","115.52","0.004","90","","1562.37","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cu2 N10 O4 -","- C34 H26 Cu2 N10 O4 -","- C68 H52 Cu4 N20 O8 -","2","0.5","","Saha, Amrita; Panja, Anangamohan; Shyamal, Milan; Mandal, Tarun Kanti","Influence of anionic co-ligands on the structural diversity and catecholase activity of copper(II) complexes with 2-methoxy-6-(8-iminoquinolinylmethyl)phenol","RSC Adv.","2014","","","","","10.1039/C4RA08025D","","","0.71073","MoKα","","0.1424","0.0547","","","0.0988","0.1231","","","","","","0.962","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218433","7.298","0.0002","14.4856","0.0005","14.9016","0.0005","85.634","0.002","83.851","0.002","78.042","0.002","1529.93","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Cu N3 O3 -","- C18 H13 Cu N3 O3 -","- C72 H52 Cu4 N12 O12 -","4","2","","Saha, Amrita; Panja, Anangamohan; Shyamal, Milan; Mandal, Tarun Kanti","Influence of anionic co-ligands on the structural diversity and catecholase activity of copper(II) complexes with 2-methoxy-6-(8-iminoquinolinylmethyl)phenol","RSC Adv.","2014","","","","","10.1039/C4RA08025D","","","0.71073","MoKα","","0.0704","0.0428","","","0.094","0.1045","","","","","","1.02","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218442","10.6039","0.0008","10.793","0.0008","11.0137","0.0008","100.245","0.001","111.738","0.001","101.524","0.001","1102.46","0.14","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N-(3-phenyl-2-p-tolyl-3,4-dihydroquinazolin-4-yl)benzamide","","- C28 H23 N3 O -","- C28 H23 N3 O -","- C56 H46 N6 O2 -","2","1","","Reddy, Kallu Rajender; Saidulu, G.; Kumar, R. Arun; Anitha, T.; Srinivasulu, A.; Balasubramanian, Sridhar; Liu, Shiuh-Tzung","C-N and C-P bond formation via cross dehydrative coupling reaction: an efficient synthesis of novel 3,4-dihydroquinazolines","RSC Adv.","2014","","","","","10.1039/C4RA10203G","","","0.71073","MoKα","","0.0433","0.0373","","","0.1001","0.1059","","","","","","1.026","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218443","9.3171","0.0012","15.39","0.002","13.1098","0.0017","90","","92.604","0.002","90","","1877.9","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3-phenyl-2-p-tolyl-3,4-dihydroquinazolin-4-yl)acetamide","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Reddy, Kallu Rajender; Saidulu, G.; Kumar, R. Arun; Anitha, T.; Srinivasulu, A.; Balasubramanian, Sridhar; Liu, Shiuh-Tzung","C-N and C-P bond formation via cross dehydrative coupling reaction: an efficient synthesis of novel 3,4-dihydroquinazolines","RSC Adv.","2014","","","","","10.1039/C4RA10203G","","","0.71073","MoKα","","0.0482","0.0361","","","0.0914","0.1029","","","","","","1.08","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218444","14.6985","0.0013","11.7586","0.001","13.8686","0.0012","90","","103.257","0.001","90","","2333.1","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dimethyl 2-(4-tert-butylphenyl)-3-phenyl-3,4-dihydroquinazolin-4-yl phosphonate","","- C26 H29 N2 O3 P -","- C26 H29 N2 O3 P -","- C104 H116 N8 O12 P4 -","4","1","","Reddy, Kallu Rajender; Saidulu, G.; Kumar, R. Arun; Anitha, T.; Srinivasulu, A.; Balasubramanian, Sridhar; Liu, Shiuh-Tzung","C-N and C-P bond formation via cross dehydrative coupling reaction: an efficient synthesis of novel 3,4-dihydroquinazolines","RSC Adv.","2014","","","","","10.1039/C4RA10203G","","","0.71073","MoKα","","0.0402","0.0365","","","0.0995","0.1032","","","","","","1.038","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218445","7.704","0.002","12.3376","0.0002","13.3334","0.0005","63.617","0.003","81.76","0.003","88.163","0.003","1122.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H23 B F2 N2 O3 -","- C28 H23 B F2 N2 O3 -","- C56 H46 B2 F4 N4 O6 -","2","1","","Zhang, Jian; Jiang, Xin-Dong; Shao, Xiangmin; Zhao, Jiuli; Su, Yanjun; Xi, Dongmei; Yu, Haifeng; Yue, Shuai; Xiao, Lin-jiu; Zhao, Weili","A turn-on NIR fluorescent probe for the detection of homocysteine over cysteine","RSC Adv.","2014","","","","","10.1039/C4RA08771B","","","0.71073","MoKα","","0.0692","0.0468","","","0.1301","0.1506","","","","","","1.033","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218446","7.8024","0.0013","15.776","0.003","22.417","0.004","90","","100.022","0.003","90","","2717.2","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N4 O8 Zn -","- C27 H18 N4 O8 Zn -","- C108 H72 N16 O32 Zn4 -","4","1","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.1071","0.0617","","","0.1639","0.1878","","","","","","1.013","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218447","20.2193","0.0004","6.5716","0.0001","27.935","0.0005","90","","90","","90","","3711.81","0.11","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 O9 Zn2 -","- C15 H12 O9 Zn2 -","- C120 H96 O72 Zn16 -","8","1","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.0647","0.0401","","","0.0972","0.1197","","","","","","1.01","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218448","29.778","0.002","6.6754","0.0005","19.4782","0.0014","90","","113.623","0.001","90","","3547.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cd3 N0 O17 -","- C30 H22 Cd3 O17 -","- C120 H88 Cd12 O68 -","4","0.5","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.0507","0.037","","","0.1361","0.1484","","","","","","1.055","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218449","10.0131","0.0012","24.639","0.003","13.7618","0.0016","90","","109.151","0.002","90","","3207.3","0.7","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 Cd3 N2 O13 -","- C34 H20 Cd3 N2 O13 -","- C136 H80 Cd12 N8 O52 -","4","0.5","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.089","0.0488","","","0.1064","0.1372","","","","","","1.003","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218450","10.0418","0.0012","9.7038","0.0012","26.051","0.003","90","","95.109","0.002","90","","2528.4","0.5","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C54 H46 Cd3 N8 O18 -","- C54 H46 Cd3 N8 O18 -","- C108 H92 Cd6 N16 O36 -","2","0.5","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.0893","0.0574","","","0.1065","0.1284","","","","","","1.015","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218452","5.708","0.005","10.8436","0.001","14.131","0.014","96.952","0.019","93.91","0.02","90.07","0.02","866.2","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-Bromomandelic Acid","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C32 H28 Br4 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.107","0.0717","","","0.1576","0.1788","","","","","","1.204","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218453","8.1888","0.0012","10.1998","0.0014","9.2654","0.0012","90","","92.709","0.007","90","","773.02","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0847","0.0602","","","0.1587","0.1743","","","","","","1.061","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218454","5.805","0.003","10.732","0.006","13.969","0.007","96.527","0.013","92.909","0.013","90.058","0.013","863.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C32 H28 I4 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0799","0.0602","","","0.1284","0.136","","","","","","1.09","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218455","8.833","0.005","9.263","0.005","10.75","0.005","73.23","0.005","81.067","0.005","77.849","0.005","819.1","0.7","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71073","MoKα","","0.0653","0.0443","","","0.1082","0.1212","","","","","","1.052","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7218456","8.8529","0.0007","8.921","0.0006","10.7745","0.0008","90","","90.568","0.006","90","","850.89","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C32 H28 Br4 O12 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0299","0.0264","","","0.0646","0.0678","","","","","","1.064","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218457","8.8285","0.0005","9.3102","0.0007","10.4698","0.0007","92.436","0.008","90.26","0.008","94.119","0.008","857.54","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C32 H28 Br4 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.0984","0.0516","","","0.0864","0.1005","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218458","8.6521","0.0015","8.9195","0.0015","10.7309","0.0017","90","","90.9","0.006","90","","828","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0964","0.0554","","","0.1217","0.1395","","","","","","1.05","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218459","9.0086","0.0005","9.6372","0.0007","10.5702","0.0007","86.602","0.005","88.612","0.005","85.623","0.004","913.22","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3-Trifluoromomandelic Acid","","","- C9 H7 F3 O3 -","- C9 H7 F3 O3 -","- C36 H28 F12 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.0692","0.0543","","","0.1263","0.1326","","","","","","1.107","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218460","8.1424","0.0006","10.2396","0.0007","9.3604","0.0006","90","","91.016","0.008","90","","780.3","0.09","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.1836","0.1026","","","0.2744","0.3223","","","","","","1.08","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218461","6.8488","0.0004","14.1055","0.001","15.0534","0.001","104.634","0.007","94.543","0.007","90.699","0.006","1401.87","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C48 H42 I6 O18 -","6","3","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0853","0.0549","","","0.1094","0.12","","","","","","1.045","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218462","8.5713","0.0005","9.3327","0.0007","10.5393","0.0007","92.391","0.006","94.241","0.006","90.556","0.006","839.96","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","3-methylmandelic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.0798","0.0513","","","0.1175","0.1321","","","","","","1.032","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218463","19.5315","0.0014","9.741","0.0007","9.1389","0.0006","90","","101.132","0.004","90","","1706","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C64 H56 Br8 O24 -","8","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.113","0.0847","","","0.207","0.2205","","","","","","1.161","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218464","4.9711","0.0004","14.9062","0.0012","16.792","0.0013","88.109","0.008","85.871","0.008","84.381","0.009","1234.68","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C48 H42 Cl6 O18 -","6","3","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.305","0.1238","","","0.2195","0.3039","","","","","","1.01","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218465","9.8173","0.0005","9.692","0.0005","19.9217","0.0014","90","","90","","90","","1895.54","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H7 F3 O3 -","- C9 H7 F3 O3 -","- C72 H56 F24 O24 -","8","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.1612","0.0832","","","0.1104","0.13","","","","","","1.133","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218466","4.9583","0.0005","10.3607","0.0011","17.675","0.002","76.455","0.005","83.237","0.006","88.779","0.006","876.58","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C32 H28 I4 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0852","0.0615","","","0.1576","0.1692","","","","","","1.063","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218467","9.8365","0.0007","9.4215","0.0007","19.239","0.0015","90","","90","","90","","1783","0.2","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71073","MoKα","","0.192","0.071","","","0.1594","0.2198","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218468","20.805","0.003","15.649","0.003","5.3033","0.0007","90","","90","","90","","1726.6","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C72 H80 O32 -","8","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71073","MoKα","","0.1957","0.0767","","","0.1049","0.132","","","","","","0.992","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218469","18.6794","0.0013","5.1376","0.0002","9.214","0.004","90","","103.682","0.012","90","","859.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0433","0.0336","","","0.0916","0.0958","","","","","","1.098","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218470","5.0748","0.001","5.2814","0.001","15.032","0.004","91.142","0.007","92.37","0.007","111.42","0.008","374.47","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C16 H14 F2 O6 -","2","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0906","0.0616","","","0.155","0.1666","","","","","","1.116","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218480","12.809","0.002","13.372","0.002","7.3552","0.0011","90","","90","","90","","1259.8","0.3","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H17 N5 O6 -","- C8 H17 N5 O6 -","- C32 H68 N20 O24 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0643","0.0459","","","0.0806","0.0856","","","","","","0.91","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218481","7.1418","0.0009","10.6881","0.0013","15.8359","0.0019","90","","92.827","0.002","90","","1207.3","0.3","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H15 N5 O5 -","- C8 H15 N5 O5 -","- C32 H60 N20 O20 -","4","2","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0378","0.0331","","","0.0712","0.0721","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218482","7.576","0.0014","8.3143","0.0015","8.5662","0.0016","63.075","0.002","88.633","0.003","81.063","0.003","474.58","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H14 N5 O3 -","- C6 H14 N5 O3 -","- C12 H28 N10 O6 -","2","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.045","0.0376","","","0.0991","0.1022","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218483","13.1608","0.0014","12.6922","0.0014","19.7008","0.0018","90","","120.795","0.002","90","","2826.8","0.5","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 N20 O17 -","- C50 H58 N20 O17 -","- C100 H116 N40 O34 -","2","0.5","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0993","0.0473","","","0.0934","0.1012","","","","","","0.927","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7218484","8.9093","0.0016","10.772","0.002","12.425","0.002","71.502","0.003","74.311","0.003","80.732","0.003","1085","0.3","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N10 O4 -","- C20 H24 N10 O4 -","- C40 H48 N20 O8 -","2","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0678","0.0437","","","0.0781","0.086","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218485","8.2558","0.0012","14.578","0.002","13.1414","0.0019","90","","102.833","0.002","90","","1542.1","0.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N5 O5 -","- C13 H17 N5 O5 -","- C52 H68 N20 O20 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.065","0.0414","","","0.0873","0.0928","","","","","","0.894","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218486","8.0245","0.0007","13.0557","0.0011","22.2369","0.0019","87.683","0.002","82.848","0.002","73.025","0.002","2210.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N5 O5 -","- C13 H17 N5 O5 -","- C78 H102 N30 O30 -","6","3","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0916","0.0535","","","0.0895","0.0995","","","","","","0.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218487","11.7133","0.0007","12.8357","0.0007","19.3224","0.0011","90","","90.355","0.001","90","","2905","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N10 O8 -","- C26 H30 N10 O8 -","- C104 H120 N40 O32 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.055","0.0441","","","0.1001","0.1074","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7218488","9.406","0.003","11.576","0.003","11.779","0.003","90","","107.623","0.004","90","","1222.4","0.6","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N5 O2 -","- C11 H14 N5 O2 -","- C44 H56 N20 O8 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0413","0.0353","","","0.0962","0.0985","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218489","19.965","0.003","6.112","0.001","19.828","0.003","90","","111.194","0.002","90","","2255.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Nd2 O17 S2 -","- C14 H14 Nd2 O17 S2 -","- C56 H56 Nd8 O68 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.0191","0.0189","","","0.0509","0.0511","","","","","","1.029","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218490","19.746","0.006","6.0662","0.0019","19.785","0.006","90","","111.051","0.003","90","","2211.7","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Eu2 O17 S2 -","- C14 H14 Eu2 O17 S2 -","- C56 H56 Eu8 O68 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.0227","0.0225","","","0.0559","0.056","","","","","","1.268","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218491","19.671","0.004","6.0556","0.0013","19.793","0.004","90","","111.098","0.002","90","","2199.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Gd2 O17 S2 -","- C14 H14 Gd2 O17 S2 -","- C56 H56 Gd8 O68 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.021","0.0206","","","0.0528","0.053","","","","","","1.095","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218492","19.621","0.003","6.0421","0.0009","19.795","0.003","90","","111.09","0.001","90","","2189.5","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 O17 S2 Tb2 -","- C14 H14 O17 S2 Tb2 -","- C56 H56 O68 S8 Tb8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.0225","0.0224","","","0.058","0.058","","","","","","1.155","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218493","19.489","0.005","6.0107","0.0016","19.762","0.005","90","","111.257","0.002","90","","2157.5","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Ho2 O17 S2 -","- C14 H14 Ho2 O17 S2 -","- C56 H56 Ho8 O68 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.0221","0.0215","","","0.0531","0.0533","","","","","","1.166","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218494","5.3218","0.0002","13.302","0.0005","21.728","0.0007","90","","90","","90","","1538.14","0.1","294","2","294","2","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","name","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Trajkovic, Milos; Balanac, Vesna; Ferjancic, Zorana; Saicic, Radomir Nikola","Total synthesis of (+)-swainsonine and (+)-epi-swainsonine","RSC Adv.","2014","","","","","10.1039/C4RA11978A","","x-ray","0.71073","MoKα","","0.0385","0.0355","","","0.0828","0.0846","","","","","","1.123","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218495","20.8735","0.0005","11.8292","0.0003","9.8383","0.0003","90","","101.978","0.003","90","","2376.35","0.11","150","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 N5 S -","- C30 H19 N5 S -","- C120 H76 N20 S4 -","4","1","","Misra, Rajneesh; Gautam, Prabhat; Maragani, Ramesh; Shaikh, Mobin M.","Reversible mechanochromism in dipyridylamine‐substituted unsymmetrical benzothiadiazoles","RSC Adv.","2014","","","","","10.1039/C4RA09921D","","","1.5418","CuKα","","0.0529","0.0452","","","0.1274","0.1393","","","","","","1.057","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218496","11.378","0.005","14.319","0.005","23.323","0.005","82.037","0.005","79.189","0.005","68.015","0.005","3451","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H64 N9 O20 P3 Sn2 -","- C64 H64 N9 O20 P3 Sn2 -","- C128 H128 N18 O40 P6 Sn4 -","2","1","","Chandrasekhar, Vadapalli; Kundu, Subrata; Mohapatra, Chandrajeet","Cyclophosphazene-Organostannoxane Hybrid Motifs in Polymeric and Molecular Systems","RSC Adv.","2014","","","","","10.1039/C4RA09371B","","","0.71069","MoKα","","0.059","0.0483","","","0.1294","0.1544","","","","","","1.043","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218497","18.805","0.005","12.506","0.005","21.511","0.005","90","0.005","110.835","0.005","90","0.005","4728","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H124 N6 O18 P6 Sn4 -","- C86 H124 N6 O18 P6 Sn4 -","- C172 H248 N12 O36 P12 Sn8 -","2","0.5","","Chandrasekhar, Vadapalli; Kundu, Subrata; Mohapatra, Chandrajeet","Cyclophosphazene-Organostannoxane Hybrid Motifs in Polymeric and Molecular Systems","RSC Adv.","2014","","","","","10.1039/C4RA09371B","","","0.71069","MoKα","","0.1185","0.0702","","","0.1586","0.1789","","","","","","1.08","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218498","10.4896","0.0004","12.9381","0.0005","9.9423","0.0003","90","","117.876","0.003","90","","1192.75","0.08","270","2","270","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br F N O -","- C13 H11 Br F N O -","- C52 H44 Br4 F4 N4 O4 -","4","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.71073","MoKα","","0.0643","0.0391","","","0.0988","0.1032","","","","","","1.062","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218499","9.5818","0.0003","11.4519","0.0003","12.5667","0.0004","109.027","0.002","94.23","0.002","105.253","0.002","1238.29","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10.5 Br Cl N O0.75 -","- C13 H10.5 Br Cl N O0.75 -","- C52 H42 Br4 Cl4 N4 O3 -","4","2","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.71069","MoKα","","0.066","0.0467","","","0.1107","0.1208","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218500","7.3152","0.0006","9.7141","0.0009","10.352","0.002","68.687","0.003","86.209","0.003","68.298","0.004","634.75","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Br2 N O -","- C13 H11 Br2 N O -","- C26 H22 Br4 N2 O2 -","2","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.71073","MoKα","","0.1223","0.0799","","","0.2424","0.2541","","","","","","1.039","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218501","7.5841","0.0006","19.2894","0.0016","9.3211","0.0009","90","","105.886","0.004","90","","1311.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br I N O -","- C13 H11 Br I N O -","- C52 H44 Br4 I4 N4 O4 -","4","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.7107","MoKα","","0.0716","0.0477","","","0.1057","0.117","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218502","7.5081","0.0003","10.494","0.0005","11.7322","0.0006","105.219","0.002","105.581","0.002","101.791","0.002","820.76","0.07","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 I4 N -","- C13 H9 I4 N -","- C26 H18 I8 N2 -","2","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.71073","MoKα","","0.1399","0.1155","","","0.3405","0.3512","","","","","","1.13","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218503","7.799","0.001","9.585","0.002","9.664","0.002","68.967","0.007","70.925","0.006","83.339","0.006","637.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Br N O -","- C14 H14 Br N O -","- C28 H28 Br2 N2 O2 -","2","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.7107","MoKα","","0.0936","0.0611","","","0.1552","0.1689","","","","","","1.002","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218504","7.7034","0.0007","9.141","0.001","12.257","0.002","88.73","0.006","78.321","0.006","71.486","0.004","800.66","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Br2 N2 O -","- C34 H38 Br2 N2 O -","- C34 H38 Br2 N2 O -","1","0.5","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.7107","MoKα","","0.0779","0.0586","","","0.1529","0.1666","","","","","","1.134","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218505","18.08801","0.00059","12.04679","0.00049","7.2298","0.00019","90","","90","","90","","1575.39","0.09","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","9-tert-butylacridizinium bromide monohydrate","","","- C17 H20 Br N O -","- C17 H20 Br N O -","- C68 H80 Br4 N4 O4 -","4","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.021","2.552","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218506","8.085","0.003","9.738","0.003","10.671","0.004","78.516","0.009","83.189","0.009","68.866","0.009","766.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N3 O4 S -","- C15 H16 N3 O4 S -","- C30 H32 N6 O8 S2 -","2","1","","Dey, Swapan; Sain, Dibyendu; Kumar, Ashish; Kumari, Chanda","A series of ditopic receptors for succinic acid binding","RSC Adv.","2014","4","93","51486","","10.1039/C4RA07537D","","","0.71073","MoKα","","0.0665","0.0537","","","0.155","0.1646","","","","","","1.079","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218507","9.4202","0.0005","16.8486","0.0006","9.1845","0.0005","90","","97.746","0.006","90","","1444.44","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(dimethylammonium)(manganese(II)-(benezenetetrasulfonate))(dimethylfornamide)","","","- C16 H32 Mn N4 O14 S4 -","- C16 H32 Mn N4 O14 S4 -","- C32 H64 Mn2 N8 O28 S8 -","2","0.5","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0643","0.0357","","","0.0771","0.0837","","","","","","0.87","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218508","9.317","0.0007","10.4919","0.0007","19.4487","0.0012","90","","113.529","0.003","90","","1743.1","0.2","120","2","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(hydroxymethyldihydropyrrolium)(manganese(II)-(benezenetetrasulfonate))(N-methylpyrrolidone)","","","- C26 H40 Mn N4 O16 S4 -","- C26 H34 Mn N4 O16 S4 -","- C52 H68 Mn2 N8 O32 S8 -","2","0.5","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0818","0.0501","","","0.131","0.1484","","","","","","1.029","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218509","5.143","0.0007","9.262","0.0012","9.402","0.0013","93.552","0.008","99.993","0.007","99.237","0.007","433.48","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","(manganese(II)-benzenedisulfonoc acid)(dimethylformamide)","","","- C12 H18 Mn N2 O8 S2 -","- C12 H18 Mn N2 O8 S2 -","- C12 H18 Mn N2 O8 S2 -","1","0.5","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0462","0.029","","","0.0637","0.067","","","","","","0.956","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218510","9.36","0.0004","9.8494","0.0004","10.3475","0.0005","81.606","0.002","88.941","0.002","82.364","0.002","935.35","0.07","120","2","120.15","","","","","","","","","6","P -1","-P 1","2","manganese(II)-benzenedisulfonate-dimethylacetamide","","","- C14 H22 Mn N2 O8 S2 -","- C14 H19.75 Mn N2 O8 S2 -","- C28 H39.5 Mn2 N4 O16 S4 -","2","1","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0504","0.0348","","","0.0939","0.1002","","","","","","1.019","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218511","9.6297","0.0003","9.7676","0.0003","10.3423","0.0003","89.371","0.001","78.839","0.001","87.604","0.002","953.55","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(manganese(II)-benzenedisulfonate)(N-methylpyrrolidone)","","","- C16 H22 Mn N2 O8 S2 -","- C16 H22 Mn N2 O8 S2 -","- C32 H44 Mn2 N4 O16 S4 -","2","1","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0315","0.0244","","","0.0732","0.075","","","","","","1.066","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218512","19.568","0.002","20.952","0.002","23.623","0.003","74.831","0.002","86.481","0.002","64.269","0.002","8405.6","1.6","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C14 H126 As6 Ce4 K14 Li4 N2 O264 W58 -","- C14 H6 As6 Ce4 K14 N2 O246 W58 -","- C14 H6 As6 Ce4 K14 N2 O246 W58 -","1","0.5","","Li, Suzhi; Wang, Yuan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","From a versatile arsenotungstate precursor to a large lanthanide-containing polyoxometalate‒carboxylate hybrid","CrystEngComm","2014","16","47","10746","","10.1039/C4CE01577K","","","0.71073","MoKα","","0.135","0.0796","","","0.1833","0.2001","","","","","","1.078","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218513","32.516","0.006","10.7386","0.0019","13.927","0.003","90","","113.348","0.004","90","","4464.8","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 N2 O3 Si -","- C23 H28 N2 O3 Si -","- C184 H224 N16 O24 Si8 -","8","1","","Liu, Xiao-Yuan; Shi, Lei; Ding, Zhifeng; Long, Yi-Tao","New Insight into the Application of GFP Chromophore Inspired Derivatives: a F- Fluorescent Chemodosimeter","RSC Adv.","2014","","","","","10.1039/C4RA09436K","","","0.71073","MoKα","","0.1349","0.08","","","0.212","0.2523","","","","","","1.044","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218514","8.835","0.0019","11.026","0.002","12.387","0.003","91.06","0.004","101.971","0.003","109.109","0.004","1110.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C56 H44 N4 O4 -","2","1","","Dai, Xi; Zhang, Tao; Li, Yun; Yan, Tao; Wang, Peng-Chong; Miao, Jun-Ying; Zhao, Bao-Xiang","An effective fluorescent probe detects glutathione from other sulfhydryl compounds in aqueous solution and its living cell imaging","RSC Adv.","2014","","","","","10.1039/C4RA09712B","","","0.71073","MoKα","","0.0861","0.0498","","","0.1155","0.1373","","","","","","1.02","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218515","5.856","0.0004","15.3344","0.0011","22.623","0.0016","90","","90","","90","","2031.5","0.2","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O2 -","- C26 H27 N O2 -","- C104 H108 N4 O8 -","4","1","","Sousa, Carlos Alberto; Maestro, Miguel Ángel; Garcia-Mera, Xerardo; Rodriguez-Borges, José Enrique","Endo-benzonorbornen-2-ol as an efficient non-natural chiral auxiliary in the asymmetric aza-Diels‒Alder reactions between cyclopentadiene and (1-phenylethyl)iminoacetates","RSC Adv.","2014","","","","","10.1039/C4RA11143E","","","0.71073","MoKα","","0.0732","0.0402","","","0.0894","0.1082","","","","","","1.063","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218516","12.8805","0.0012","9.6455","0.0008","18.5453","0.0013","90","","94.942","0.007","90","","2295.5","0.3","291.19","0.1","291.19","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Br4 Cd N4 O4 -","- C20 H10 Br4 Cd N4 O4 -","- C80 H40 Br16 Cd4 N16 O16 -","4","0.5","","Yan, Zhi hao; zhang, xiaowei; Pang, Haiduo; Zhang, Yiheng; Sun, Daofeng; Wang, Lei","Solvothermal Synthesis, Crystal Structure, and Photoluminescence Properties of four Cd(II) Coordination Polymers With Different Topological Structures","RSC Adv.","2014","","","","","10.1039/C4RA10039E","","","1.54184","CuKα","","0.0404","0.03","","","0.075","0.0821","","","","","","1.103","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218517","9.394","0.0006","9.405","0.0007","13.544","0.0008","69.748","0.006","88.094","0.005","63.28","0.006","992.01","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 Br4 Cd N2 O6 -","- C15 H11 Br4 Cd N2 O6 -","- C30 H22 Br8 Cd2 N4 O12 -","2","1","","Yan, Zhi hao; zhang, xiaowei; Pang, Haiduo; Zhang, Yiheng; Sun, Daofeng; Wang, Lei","Solvothermal Synthesis, Crystal Structure, and Photoluminescence Properties of four Cd(II) Coordination Polymers With Different Topological Structures","RSC Adv.","2014","","","","","10.1039/C4RA10039E","","","0.71","MoKα","","0.0441","0.0325","","","0.0673","0.072","","","","","","1.087","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218518","10.4982","0.0004","11.9704","0.0004","12.5963","0.0005","66.271","0.004","80.316","0.004","75.709","0.003","1400.04","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Br4 Cd N4 O4 -","- C24 H18 Br4 Cd N4 O4 -","- C48 H36 Br8 Cd2 N8 O8 -","2","1","","Yan, Zhi hao; zhang, xiaowei; Pang, Haiduo; Zhang, Yiheng; Sun, Daofeng; Wang, Lei","Solvothermal Synthesis, Crystal Structure, and Photoluminescence Properties of four Cd(II) Coordination Polymers With Different Topological Structures","RSC Adv.","2014","","","","","10.1039/C4RA10039E","","","0.71","MoKα","","0.0609","0.0533","","","0.1515","0.1566","","","","","","1.101","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218519","32.3224","0.0007","13.1789","0.0003","16.2944","0.0003","90","","119.738","0.002","90","","6026.9","0.3","293","2","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br4 Cd N4 O4 -","- C24 H18 Br4 Cd N4 O4 -","- C192 H144 Br32 Cd8 N32 O32 -","8","1","","Yan, Zhi hao; zhang, xiaowei; Pang, Haiduo; Zhang, Yiheng; Sun, Daofeng; Wang, Lei","Solvothermal Synthesis, Crystal Structure, and Photoluminescence Properties of four Cd(II) Coordination Polymers With Different Topological Structures","RSC Adv.","2014","","","","","10.1039/C4RA10039E","","","0.71073","MoKα","","0.0405","0.0309","","","0.0746","0.0782","","","","","","1.037","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218520","12.209","0.004","5.5526","0.0007","9.865","0.003","90","","128.2","0.06","90","","525.6","0.5","297.2","0.14","297.2","0.14","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Iron oxalate dihydrate","","- C2 H4 Fe O6 -","- C2 H4 Fe O6 -","- C8 H16 Fe4 O24 -","4","0.5","","Tominaka, Satoshi; Cheetham, Tony","Intrinsic and Extrinsic Proton Conductivity in Metal-Organic Frameworks","RSC Adv.","2014","","","","","10.1039/C4RA11473F","","","0.71073","MoKα","","0.1154","0.109","","","0.2578","0.2684","","","","","","1.246","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218521","7.148","0.0003","16.1738","0.0006","16.6234","0.0006","90","","90.867","0.003","90","","1921.62","0.13","300.1","0.4","300.1","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrathiafulvalene nitrate","","- C6 H4 N O3 S4 -","- C6 H4 N O3 S4 -","- C48 H32 N8 O24 S32 -","8","2","","Tominaka, Satoshi; Cheetham, Tony","Intrinsic and Extrinsic Proton Conductivity in Metal-Organic Frameworks","RSC Adv.","2014","","","","","10.1039/C4RA11473F","","","1.54184","CuKα","","0.0585","0.0555","","","0.1598","0.1628","","","","","","1.093","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7218522","12.065","0.012","5.559","0.002","9.817","0.009","90","","128.03","0.15","90","","518.6","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Iron(II) oxalate dihydrate","","- C2 H4 Fe O6 -","- C2 H4 Fe O6 -","- C8 H16 Fe4 O24 -","4","0.5","","Tominaka, Satoshi; Cheetham, Tony","Intrinsic and Extrinsic Proton Conductivity in Metal-Organic Frameworks","RSC Adv.","2014","","","","","10.1039/C4RA11473F","","x-ray","0.71073","MoKα","","0.1144","0.0879","","","0.2302","0.2406","","","","","","1.307","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218523","7.0349","0.00014","16.2047","0.0003","16.467","0.0004","90","","90.657","0.002","90","","1877.09","0.07","120.3","0.8","120.3","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrathiafulvalene nitrate","","- C6 H4 N O3 S4 -","- C6 H4 N O3 S4 -","- C48 H32 N8 O24 S32 -","8","2","","Tominaka, Satoshi; Cheetham, Tony","Intrinsic and Extrinsic Proton Conductivity in Metal-Organic Frameworks","RSC Adv.","2014","","","","","10.1039/C4RA11473F","","","1.54184","CuKα","","0.0527","0.0499","","","0.1398","0.1427","","","","","","1.115","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7218528","10.954","0.003","10.954","","19.84","0.005","90","","90","","90","","2380.6","0.9","298","2","298","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C14 H24 Cl4 N4 Pd2 S2 -","- C14 H24 Cl4 N4 Pd2 S2 -","- C56 H96 Cl16 N16 Pd8 S8 -","4","0.5","","Wang, Chen; Lu, Wenjuan; tong, yu; Zheng, Yan; Yang, Yanzhao","The Application of Ionic liquid-based System in the Extraction of Palladium: Synthesis, Characterization and Computer Calculation of Palladium Complexes","RSC Adv.","2014","","","","","10.1039/C4RA07563C","","","0.71","MoKα","","0.1243","0.0484","","","0.0931","0.1208","","","","","","1.016","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218529","18.0778","0.0019","9.268","0.001","13.131","0.0014","90","","113.059","0.002","90","","2024.3","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 Cl2 N4 Pd S2 -","- C14 H24 Cl2 N4 Pd S2 -","- C56 H96 Cl8 N16 Pd4 S8 -","4","0.5","","Wang, Chen; Lu, Wenjuan; tong, yu; Zheng, Yan; Yang, Yanzhao","The Application of Ionic liquid-based System in the Extraction of Palladium: Synthesis, Characterization and Computer Calculation of Palladium Complexes","RSC Adv.","2014","","","","","10.1039/C4RA07563C","","","0.71","MoKα","","0.0396","0.0309","","","0.0759","0.0801","","","","","","0.999","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218530","9.9373","0.0012","13.5639","0.0016","13.742","0.0017","90","","102.302","0.006","90","","1809.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 N5 S -","- C22 H13 N5 S -","- C88 H52 N20 S4 -","4","1","","Gogoi, Abhijit; Das, Gopal","NIR Sensing of Zn(II) and Subsequent Dihydrogen Phosphate Detection by a Benzothiazole Functionalized Ninhydrin Based Receptor","RSC Adv.","2014","","","","","10.1039/C4RA10556G","","","0.71073","MoKα","","0.057","0.0435","","","0.1315","0.1517","","","","","","0.92","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218531","6.5259","0.0003","13.1402","0.0005","15.6863","0.0007","90","","90","","90","","1345.13","0.1","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Wu, Zu-Yan; Wu, Yang; Chen, Guo-Dong; Hu, Dan; Li, Xiao-Xia; Sun, Xiang; Guo, Liang-Dong; Li, Yan; Yao, Xin-Sheng; Gao, Hao","Xylariterpenoids A‒D, four new sesquiterpenoids from the Xylariaceae fungus","RSC Adv.","2014","","","","","10.1039/C4RA10365C","","","1.54184","CuKα","","0.0426","0.0363","","","0.0853","0.0909","","","","","","1.079","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218532","10.7923","0.0002","7.50518","0.00016","24.2322","0.0004","90","","92.1594","0.0019","90","","1961.37","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O5 S -","- C20 H20 N4 O5 S -","- C80 H80 N16 O20 S4 -","4","1","","Pankova, Alena S.; Samartsev, Mikhail A.; Shulgin, Igor A.; Golubev, Pavel R.; Avdontceva, Margarita S.; Kuznetsov, Mikhail A.","Synthesis of thiazolidines via regioselective addition of unsymmetric thioureas to maleic acid derivatives","RSC Adv.","2014","4","93","51780","","10.1039/C4RA07840C","","","0.71073","MoKα","","0.0492","0.0384","","","0.0848","0.0895","","","","","","1.049","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218533","5.30469","0.00013","12.5053","0.0003","14.6627","0.0003","71.1056","0.0019","83.182","0.0019","86.6139","0.0018","913.54","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N3 O2 S -","- C20 H21 N3 O2 S -","- C40 H42 N6 O4 S2 -","2","1","","Pankova, Alena S.; Samartsev, Mikhail A.; Shulgin, Igor A.; Golubev, Pavel R.; Avdontceva, Margarita S.; Kuznetsov, Mikhail A.","Synthesis of thiazolidines via regioselective addition of unsymmetric thioureas to maleic acid derivatives","RSC Adv.","2014","4","93","51780","","10.1039/C4RA07840C","","","1.54184","CuKα","","0.038","0.0356","","","0.0925","0.0939","","","","","","0.932","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218534","18.7677","0.0008","11.1216","0.0004","35.516","0.002","90","","90","","90","","7413.1","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 O2 S -","- C20 H21 N3 O2 S -","- C320 H336 N48 O32 S16 -","16","2","","Pankova, Alena S.; Samartsev, Mikhail A.; Shulgin, Igor A.; Golubev, Pavel R.; Avdontceva, Margarita S.; Kuznetsov, Mikhail A.","Synthesis of thiazolidines via regioselective addition of unsymmetric thioureas to maleic acid derivatives","RSC Adv.","2014","4","93","51780","","10.1039/C4RA07840C","","","1.54184","CuKα","","0.1102","0.0737","","","0.1812","0.214","","","","","","0.99","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218535","12.1344","0.0012","9.9005","0.0008","22.4676","0.0018","90","","102.166","0.001","90","","2638.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 N O6 -","- C29 H31 N O6 -","- C116 H124 N4 O24 -","4","1","","Jiang, Bo; Liang, Yan-Bo; Kong, Li-Fang; Tu, Xing-Jun; Hao, Wen-Juan; Ye, Qin; Tu, Shu-Jiang","Highly diastereoselective synthesis of quinoline-2,5-diones and pyrazolo[3,4-b]pyridin-6(7H)-ones under microwave irradiation","RSC Adv.","2014","","","","","10.1039/C4RA10096D","","","0.71073","MoKα","","0.1368","0.0524","","","0.1165","0.1573","","","","","","1.048","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218536","7.9296","0.001","9.0949","0.0012","22.638","0.003","90","","99.403","0.007","90","","1610.7","0.4","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C26 H44 Br4 Cu2 N6 O -","- C26 H44 Br4 Cu2 N6 O -","- C52 H88 Br8 Cu4 N12 O2 -","2","1","","Rhaman, Md Mhahabubur; Alamgir, Azmain; Wong, Bryan; Powell, Douglas; Hossain, Md. Alamgir","A highly efficient dinuclear Cu(II) chemosensor for colorimetric and fluorescent detection of cyanide in water","RSC Adv.","2014","","","","","10.1039/C4RA10813B","","","0.71073","MoKα","","0.0698","0.0491","","","0.0777","0.0842","","","","","","0.931","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218537","14.0883","0.0019","9.8136","0.0014","16.084","0.002","90","","112.581","0.004","90","","2053.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trimer 4","","- C24 H22 N2 O7 -","- C24 H22 N2 O7 -","- C96 H88 N8 O28 -","4","1","","Liu, Jiaqiang; Sun, Chang; Ma, Wenliang; Lu, Yu-Jing; Yu, Lin; Zhang, Kun; Zeng, Huaqiang","A Conformationally Switchable Fluorescent Oligophenol Foldamer for Selective Sensing of Copper(II) Ions","RSC Adv.","2014","","","","","10.1039/C4RA11706A","","","0.71073","MoKα","","0.0596","0.0492","","","0.127","0.1412","","","","","","1.093","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218538","15.2734","0.0012","15.273","","23.031","0.002","90","","90","","90","","5372.5","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Trimer 5","","- C25.13 H25.88 N3 Na O11 -","- C25.1195 H25.8805 N3 Na O11 -","- C200.956 H207.044 N24 Na8 O88 -","8","2","","Liu, Jiaqiang; Sun, Chang; Ma, Wenliang; Lu, Yu-Jing; Yu, Lin; Zhang, Kun; Zeng, Huaqiang","A Conformationally Switchable Fluorescent Oligophenol Foldamer for Selective Sensing of Copper(II) Ions","RSC Adv.","2014","","","","","10.1039/C4RA11706A","","","0.71073","MoKα","","0.1212","0.0818","","","0.1553","0.1703","","","","","","1.122","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218539","10.4001","0.0002","20.661","0.0006","13.5979","0.0004","90","","91.972","0.002","90","","2920.14","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 S -","- C14 H16 O4 S -","- C112 H128 O32 S8 -","8","2","","Ilangovan, Andivelu; Sakthivel, Palaniappan","Simple access to 5-carboalkoxy-2,3-dihydro-4H-pyran-4-ones via domino acylative electrocyclization: First three step total synthesis of dihydronaphthopyran-4-one class of natural products","RSC Adv.","2014","","","","","10.1039/C4RA11174E","","","0.71073","MoKα","","0.1063","0.0842","","","0.2594","0.2886","","","","","","1.066","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7218540","21.293","0.002","7.8312","0.0009","13.9098","0.0016","90","","109.82","0.002","90","","2182.1","0.4","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Moxonidine","4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine","","- C9 H12 Cl N5 O -","- C9 H12 Cl N5 O -","- C72 H96 Cl8 N40 O8 -","8","1","","Babu Nanubolu, Jagadeesh; Sridhar, Balasubramanian; Ravikumar, Krishnan","Understanding the amino ↔ imino tautomeric preference in (imidazole)imidazolidine-N-aryl(alkyl) systems: a case study of moxonidine drug and insights from the Cambridge structural database (CSD)","CrystEngComm","2014","16","46","10602","","10.1039/C4CE01541J","","","0.71073","MoKα","","0.0656","0.064","","","0.148","0.149","","","","","","1.271","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218541","8.5413","0.001","13.2793","0.0015","24.376","0.003","90","","90","","90","","2764.8","0.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Moxonidine hydrochloride monohydrate","Moxonidine hydrochloride monohydrate","","- C9 H15 Cl2 N5 O2 -","- C9 H15 Cl2 N5 O2 -","- C72 H120 Cl16 N40 O16 -","8","1","","Babu Nanubolu, Jagadeesh; Sridhar, Balasubramanian; Ravikumar, Krishnan","Understanding the amino ↔ imino tautomeric preference in (imidazole)imidazolidine-N-aryl(alkyl) systems: a case study of moxonidine drug and insights from the Cambridge structural database (CSD)","CrystEngComm","2014","16","46","10602","","10.1039/C4CE01541J","","","0.71073","MoKα","","0.0614","0.0535","","","0.1293","0.1346","","","","","","1.166","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218542","14.639","0.006","17.452","0.007","23.468","0.009","90","","90","","90","","5996","4","223","2","223","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C40 H66 Cl N26 Nd O29 -","- C40 H44 Cl N26 Nd O23 -","- C160 H176 Cl4 N104 Nd4 O92 -","4","1","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0841","0.0587","","","0.1414","0.1525","","","","","","1.011","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218543","14.6418","0.0017","17.407","0.002","23.369","0.003","90","","90","","90","","5956.1","1.2","293","2","293","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C40 H66 Cl N26 O29 Sm -","- C40 H44 Cl N26 O23 Sm -","- C160 H176 Cl4 N104 O92 Sm4 -","4","1","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0536","0.0458","","","0.1248","0.1305","","","","","","1.054","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218544","14.641","0.003","17.416","0.004","23.351","0.005","90","","90","","90","","5954","2","223","2","223","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C40 H66 Cl Eu N26 O29 -","- C40 H44 Cl Eu N26 O23 -","- C160 H176 Cl4 Eu4 N104 O92 -","4","1","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.067","0.0541","","","0.1421","0.1515","","","","","","1.019","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218545","35.306","0.005","14.142","0.002","13.4153","0.0019","90","","90","","90","","6698.2","1.6","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl Gd N26 O40 -","- C40 H44 Cl Gd N26 O25 -","- C160 H176 Cl4 Gd4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.076","0.0631","","","0.148","0.1542","","","","","","1.109","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218546","35.381","0.003","14.2066","0.0013","13.4355","0.0013","90","","90","","90","","6753.3","1.1","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl N26 O40 Tb -","- C40 H44 Cl N26 O25 Tb -","- C160 H176 Cl4 N104 O100 Tb4 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0717","0.0535","","","0.1411","0.1495","","","","","","1.084","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218547","35.375","0.004","14.1652","0.0017","13.4397","0.0016","90","","90","","90","","6734.6","1.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl Dy N26 O40 -","- C40 H44 Cl Dy N26 O25 -","- C160 H176 Cl4 Dy4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0729","0.0503","","","0.1349","0.1441","","","","","","1.052","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218548","35.361","0.005","14.168","0.002","13.4332","0.0019","90","","90","","90","","6730","1.6","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl Ho N26 O40 -","- C40 H44 Cl Ho N26 O25 -","- C160 H176 Cl4 Ho4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0794","0.0527","","","0.1438","0.154","","","","","","1.053","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218549","35.37","0.004","14.161","0.0017","13.4086","0.0016","90","","90","","90","","6716","1.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H86 Cl Er N26 O39 -","- C40 H44 Cl Er N26 O25 -","- C160 H176 Cl4 Er4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.072","0.0552","","","0.1323","0.1396","","","","","","1.119","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218550","35.285","0.005","14.1423","0.0019","13.3923","0.0018","90","","90","","90","","6682.9","1.6","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H90 Cl N26 O41 Tm -","- C40 H44 Cl N26 O25 Tm -","- C160 H176 Cl4 N104 O100 Tm4 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0818","0.0533","","","0.144","0.1542","","","","","","1.05","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218551","35.396","0.004","14.1853","0.0018","13.4031","0.0017","90","","90","","90","","6729.7","1.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H84 Cl N26 O38 Yb -","- C40 H44 Cl N26 O25 Yb -","- C160 H176 Cl4 N104 O100 Yb4 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0665","0.0445","","","0.1268","0.1366","","","","","","1.073","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218552","35.247","0.013","14.129","0.005","13.384","0.005","90","","90","","90","","6665","4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H86 Cl Lu N26 O39 -","- C40 H44 Cl Lu N26 O25 -","- C160 H176 Cl4 Lu4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0805","0.0475","","","0.1387","0.1512","","","","","","1.079","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218553","7.5729","0.0013","9.0487","0.0016","22.692","0.004","90","","90","","90","","1555","0.5","293","","293","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N3 O3 S2 -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","1","","Girish, Yarabally R.; Sharath kumar, Kothanahally S; Muddegowda, Umashankar; Lokanath, Neartur Krishnappagowda; Rangappa, Kanchugarakoppal S.; shashikanth, seena","ZrO2 -supported Cu (ll) - β-cyclodextrin complex: Construction of 2, 4, 5-trisubstituted -1, 2, 3-triazoles via Azide-chalcone oxidative Cycloaddition and Post-Triazole Alkylation","RSC Adv.","2014","","","","","10.1039/C4RA09970B","","x-ray","1.54178","CuKα","","0.0912","0.0812","","","0.2221","0.2649","","","","","","1.311","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218554","8.4513","0.0004","8.8335","0.0004","13.1616","0.0006","92.63","0.004","94.799","0.004","96.103","0.003","972.09","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 Cl2 Cu N4 O4 -","- C17 H20 Cl2 Cu N4 O4 -","- C34 H40 Cl4 Cu2 N8 O8 -","2","1","","Chattopadhyay, Shouvik; Bhattacharyya, Anik; Bhaumik, Prasanta Kumar; Jana, Partha; Frontera, Antonio; Bauza, Antonio; Drew, Michael G. B.","A combined experimental and computational study of supramolecular assemblies in ternary copper(II) complexes with a tetradentate N4 donor Schiff base and halides","RSC Adv.","2014","","","","","10.1039/C4RA09701G","","","0.71073","MoKα","","0.0592","0.0478","","","0.1218","0.1284","","","","","","1.017","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218555","8.2691","0.0017","8.8985","0.0008","12.9934","0.0015","92.082","0.009","94.504","0.013","96.468","0.012","946.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Br Cl Cu N4 O4 -","- C17 H20 Br Cl Cu N4 O4 -","- C34 H40 Br2 Cl2 Cu2 N8 O8 -","2","1","","Chattopadhyay, Shouvik; Bhattacharyya, Anik; Bhaumik, Prasanta Kumar; Jana, Partha; Frontera, Antonio; Bauza, Antonio; Drew, Michael G. B.","A combined experimental and computational study of supramolecular assemblies in ternary copper(II) complexes with a tetradentate N4 donor Schiff base and halides","RSC Adv.","2014","","","","","10.1039/C4RA09701G","","","0.71073","MoKα","","0.0595","0.0414","","","0.0913","0.1054","","","","","","0.957","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218556","8.3319","0.0006","9.2183","0.0006","13.2704","0.0011","91.819","0.006","94.151","0.006","95.975","0.006","1010.26","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cl Cu I N4 O4 -","- C17 H20 Cl Cu I N4 O4 -","- C34 H40 Cl2 Cu2 I2 N8 O8 -","2","1","","Chattopadhyay, Shouvik; Bhattacharyya, Anik; Bhaumik, Prasanta Kumar; Jana, Partha; Frontera, Antonio; Bauza, Antonio; Drew, Michael G. B.","A combined experimental and computational study of supramolecular assemblies in ternary copper(II) complexes with a tetradentate N4 donor Schiff base and halides","RSC Adv.","2014","","","","","10.1039/C4RA09701G","","","0.71073","MoKα","","0.0853","0.0664","","","0.212","0.2839","","","","","","1.184","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218558","8.8269","0.0019","9.289","0.002","20.716","0.004","90","","90","","90","","1698.6","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Cl2 N3 Pd Se -","- C16 H15 Cl2 N3 Pd Se -","- C64 H60 Cl8 N12 Pd4 Se4 -","4","1","","Singh, Ajai kumar; Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Kumar, Satyendra; Singh, Mahabir Pratap","Palladium(II) complexes bearing 1,2,3-triazole based organosulfur/ selenium ligand: synthesis, structure and applications in Heck and Suzuki-Miyaura coupling as catalyst via palladium nanoparticles","RSC Adv.","2014","","","","","10.1039/C4RA09574J","","","0.71073","MoKα","","0.0389","0.0355","","","0.0782","0.0794","","","","","","1.147","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218559","8.482","0.003","11.062","0.004","18.913","0.007","90","","92.849","0.006","90","","1772.4","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl2 N3 Pd S -","- C16 H15 Cl2 N3 Pd S -","- C64 H60 Cl8 N12 Pd4 S4 -","4","1","","Singh, Ajai kumar; Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Kumar, Satyendra; Singh, Mahabir Pratap","Palladium(II) complexes bearing 1,2,3-triazole based organosulfur/ selenium ligand: synthesis, structure and applications in Heck and Suzuki-Miyaura coupling as catalyst via palladium nanoparticles","RSC Adv.","2014","","","","","10.1039/C4RA09574J","","","0.71073","MoKα","","0.0507","0.0472","","","0.0943","0.0959","","","","","","1.276","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218565","10.331","0.004","7.626","0.003","28.392","0.011","90","","90","","90","","2236.8","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H7 N O2 S2 -","- C12 H7 N O2 S2 -","- C96 H56 N8 O16 S16 -","8","1","","Lin, Zhenghuan; Mei, Xiaofei; Yang, E.; Li, Xiaoju; Yao, Huimei; Wen, Guixiu; Chien, Ching-Ting; Chow, Tahsin J.; Ling, Qidan","Polymorphism-dependent fluorescence of bisthienylmaleimide with different responses to mechanical crushing and grinding pressure","CrystEngComm","2014","16","48","11018","","10.1039/C4CE00963K","","","0.71073","MoKα","","","0.0825","","","0.254","0.2621","","","","","","1.077","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218566","11.228","0.004","5.689","0.002","17.281","0.007","90","","94.745","0.006","90","","1100.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 N O2 S2 -","- C12 H7 N O2 S2 -","- C48 H28 N4 O8 S8 -","4","1","","Lin, Zhenghuan; Mei, Xiaofei; Yang, E.; Li, Xiaoju; Yao, Huimei; Wen, Guixiu; Chien, Ching-Ting; Chow, Tahsin J.; Ling, Qidan","Polymorphism-dependent fluorescence of bisthienylmaleimide with different responses to mechanical crushing and grinding pressure","CrystEngComm","2014","16","48","11018","","10.1039/C4CE00963K","","","0.71073","MoKα","","","0.0437","","","0.1191","0.1225","","","","","","1.043","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218567","12.993","0.006","10.604","0.004","12.69","0.006","90","","116.119","0.007","90","","1569.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cd Cl N7 O6 -","- C10 H6 Cd Cl N7 O6 -","- C40 H24 Cd4 Cl4 N28 O24 -","4","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0554","0.0406","","","0.1201","0.1539","","","","","","0.992","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218568","16.646","0.009","29.783","0.016","17.274","0.009","90","","90","","90","","8564","8","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C30 H22 Cd4 N14 O14 -","- C30 H22 Cd4 N14 O14 -","- C240 H176 Cd32 N112 O112 -","8","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0614","0.0578","","","0.1732","0.1795","","","","","","1.081","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218569","25.901","0.006","12.953","0.003","36.822","0.008","90","","110.234","0.003","90","","11591","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H28 Cd4 N21 O14 -","- C50 H27 Cd4 N21 O14 -","- C400 H216 Cd32 N168 O112 -","8","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0562","0.0407","","","0.121","0.1431","","","","","","1.034","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218570","12.994","","16.0641","0.0001","17.3404","0.0004","114.882","0.006","98.214","0.01","102.015","0.008","3101.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H60 Cd9 N42 O30 -","- C108 H60 Cd9 N42 O30 -","- C108 H60 Cd9 N42 O30 -","1","0.5","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0312","0.027","","","0.0827","0.0926","","","","","","1.039","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218571","9.852","0.003","10.626","0.003","14.145","0.005","82.691","0.008","88.688","0.011","72.313","0.008","1399.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H9 N7 O19 Zn2 -","- C22 H9 N7 O19 Zn2 -","- C44 H18 N14 O38 Zn4 -","2","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0368","0.0344","","","0.1002","0.1063","","","","","","1.072","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218572","7.9109","0.0005","7.9252","0.0005","14.3797","0.001","88.257","0.004","83.081","0.004","74.025","0.003","860.41","0.1","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H20 N2 O6 Sn -","- C14 H20 N2 O6 Sn -","- C28 H40 N4 O12 Sn2 -","2","2","","Sirajuddin, Muhammad -; Ali, Saqib; McKee, Vickie; Zaib, Sumera; Iqbal, Jamshed","Organotin(IV) carboxylate derivatives as a new addition to anticancer and antileishmanial agents: Design, physicochemical characterization and interaction with Salmon sperm DNA","RSC Adv.","2014","","","","","10.1039/C4RA10487K","","","0.71073","MoKα","","0.06","0.0389","","","0.0583","0.0637","","","","","","0.943","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218573","15.853","0.003","10.0376","0.0018","16.7","0.003","90","","98.974","0.003","90","","2624.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 N2 O6 Sn -","- C23 H38 N2 O6 Sn -","- C92 H152 N8 O24 Sn4 -","4","1","","Sirajuddin, Muhammad -; Ali, Saqib; McKee, Vickie; Zaib, Sumera; Iqbal, Jamshed","Organotin(IV) carboxylate derivatives as a new addition to anticancer and antileishmanial agents: Design, physicochemical characterization and interaction with Salmon sperm DNA","RSC Adv.","2014","","","","","10.1039/C4RA10487K","","","0.71073","MoKα","","0.149","0.0675","","","0.1496","0.1894","","","","","","1.042","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218574","9.837","0.004","13.099","0.005","21.032","0.008","90","","77.875","0.007","90","","2649.6","1.8","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H26 N2 O6 Sn -","- C29 H26 N2 O6 Sn -","- C116 H104 N8 O24 Sn4 -","4","2","","Sirajuddin, Muhammad -; Ali, Saqib; McKee, Vickie; Zaib, Sumera; Iqbal, Jamshed","Organotin(IV) carboxylate derivatives as a new addition to anticancer and antileishmanial agents: Design, physicochemical characterization and interaction with Salmon sperm DNA","RSC Adv.","2014","","","","","10.1039/C4RA10487K","","","0.71073","MoKα","","0.1321","0.0855","","","0.1839","0.2117","","","","","","0.935","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218575","12.3675","0.0004","14.9405","0.0005","9.1706","0.0003","90","","98.493","0.001","90","","1675.93","0.1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H10 Al3 Mg N O18 P4 -","- C2 Al3 Mg N O18 P4 -","- C8 Al12 Mg4 N4 O72 P16 -","4","1","","Wang, Yanyan; Mu, Ying; Sun, Yanjun; Li, Jiyang","Two New Four-Connected Zeolite-like Magnesium Aluminophosphates with Intersecting 8-Ring Channels","RSC Adv.","2014","","","","","10.1039/C4RA10950C","","","0.71073","MoKα","","0.0461","0.0364","","","0.1024","0.1093","","","","","","1.069","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218576","12.389","0.005","14.923","0.006","9.386","0.004","90","","98.699","0.007","90","","1715.3","1.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 Al3 Mg N O17 P4 -","- C2 Al3 Mg N O17 P4 -","- C8 Al12 Mg4 N4 O68 P16 -","4","1","","Wang, Yanyan; Mu, Ying; Sun, Yanjun; Li, Jiyang","Two New Four-Connected Zeolite-like Magnesium Aluminophosphates with Intersecting 8-Ring Channels","RSC Adv.","2014","","","","","10.1039/C4RA10950C","","","0.71073","MoKα","","0.1289","0.095","","","0.2521","0.2681","","","","","","1.12","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218577","8.1871","0.0016","14.69","0.003","14.096","0.003","90","","92.24","0.03","90","","1694","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C2 H10 Al3 Mg N O18 P4 -","- C2 Al3 Mg N O18 P4 -","- C8 Al12 Mg4 N4 O72 P16 -","4","1","","Wang, Yanyan; Mu, Ying; Sun, Yanjun; Li, Jiyang","Two New Four-Connected Zeolite-like Magnesium Aluminophosphates with Intersecting 8-Ring Channels","RSC Adv.","2014","","","","","10.1039/C4RA10950C","","","0.71073","MoKα","","0.0372","0.0342","","","0.0951","0.0964","","","","","","1.08","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218578","8.3877","0.0014","14.399","0.002","14.017","0.002","90","","91.552","0.003","90","","1692.3","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 Al3 Mg N O16 P4 -","- C2 Al3 Mg N O16 P4 -","- C8 Al12 Mg4 N4 O64 P16 -","4","1","","Wang, Yanyan; Mu, Ying; Sun, Yanjun; Li, Jiyang","Two New Four-Connected Zeolite-like Magnesium Aluminophosphates with Intersecting 8-Ring Channels","RSC Adv.","2014","","","","","10.1039/C4RA10950C","","","0.71073","MoKα","","0.0629","0.0497","","","0.1248","0.131","","","","","","1.123","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218579","5.1346","0.0002","15.012","0.0004","26.4598","0.0007","90","","90","","90","","2039.54","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","Saikia, Anil; Unnava, Ramanjaneyulu; Indukuri, Kiran; Sarkar, Sujit","Regioselective one-pot, three-component synthesis of substituted 2H-indazoles from nitroarylaldehyde, alkyne and amine catalyzed by CuBr/Zn(OTf)2 system","RSC Adv.","2014","","","","","10.1039/C4RA10093J","","","0.71073","MoKα","","0.0378","0.0345","","","0.0899","0.0932","","","","","","0.747","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218584","8.83","0.0009","10.2225","0.0011","10.287","0.0012","66.855","0.011","74.036","0.01","75.82","0.009","810.99","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 O11 Tb -","- C16 H13 O11 Tb -","- C32 H26 O22 Tb2 -","2","1","","Sun, Wei; Wang, Jinzeng; zhang, guonan; Liu, Zhiliang","A luminescent terbium MOF containing uncoordinated carboxyl groups exhibits highly selective sensing for Fe3+ ions","RSC Adv.","2014","","","","","10.1039/C4RA10153G","","","0.71073","MoKα","","0.0743","0.0527","","","0.0788","0.0951","","","","","","1.018","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218585","14.3378","0.0002","16.5494","0.0003","19.591","0.0003","90","","95.898","0.001","90","","4623.98","0.13","293","2","293","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 Cl N4 O3 P2 Ru S -","- C49 H40 Cl N3 O2 P2 Ru S -","- C196 H160 Cl4 N12 O8 P8 Ru4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Natarajan, K.","Photophysical properties and in vitro cytotoxicity studies of new Ru(ii) carbonyl complexes and mixed geometrical Ru(ii)‒Ni(ii) complex in HS-DNA/BSA protein and human lung (A549) and liver (HepG2) cells","RSC Adv.","2014","4","94","51850","","10.1039/C4RA08492F","","x-ray","0.71073","MoKα","","0.0985","0.0535","","","0.1348","0.1476","","","","","","0.987","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218586","22.4615","0.0003","22.8701","0.0004","24.3408","0.0004","90","","90","","90","","12503.8","0.3","293","2","293","2","","","","","","","synthesis as described","9","I b a 2","I 2 -2c","45","","","","- C67 H55 Cl N3 Ni O3 P3 Ru S -","- C67 H53 Cl N3 Ni O3 P3 Ru S -","- C536 H424 Cl8 N24 Ni8 O24 P24 Ru8 S8 -","8","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Natarajan, K.","Photophysical properties and in vitro cytotoxicity studies of new Ru(ii) carbonyl complexes and mixed geometrical Ru(ii)‒Ni(ii) complex in HS-DNA/BSA protein and human lung (A549) and liver (HepG2) cells","RSC Adv.","2014","4","94","51850","","10.1039/C4RA08492F","","x-ray","0.71073","MoKα","","0.1911","0.083","","","0.1427","0.172","","","","","","0.988","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218587","14.3713","0.0002","16.5083","0.0003","19.6494","0.0003","90","","96.112","0.001","90","","4635.24","0.13","293","2","293","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Cl3 N3 O2 P2 Ru S -","- C50 H42 Cl3 N3 O2 P2 Ru S -","- C200 H168 Cl12 N12 O8 P8 Ru4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Natarajan, K.","Photophysical properties and in vitro cytotoxicity studies of new Ru(ii) carbonyl complexes and mixed geometrical Ru(ii)‒Ni(ii) complex in HS-DNA/BSA protein and human lung (A549) and liver (HepG2) cells","RSC Adv.","2014","4","94","51850","","10.1039/C4RA08492F","","x-ray","0.71073","MoKα","","0.0995","0.0506","","","0.1051","0.1189","","","","","","1.039","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218588","10.2235","0.0009","12.4997","0.0011","11.191","0.001","90","","100.662","0.0015","90","","1405.4","0.2","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N2 S -","- C19 H12 N2 S -","- C76 H48 N8 S4 -","4","1","","Mahapatra, Ajit Kumar; Mondal, Sanchita; Maiti, Kalipada; Manna, Saikat Kumar; Maji, Rajkishor; Mandal, Debasish; Mandal, Sukhendu; Goswami, Shyamaprosad Kumar; Quah, Ching Kheng; Fun, Hoong Kun","Pyrene thiazole-conjugate as ratiometric chemosensor with high selectivity and sensitivity for tin (Sn4+) and its application in imaging live cells","RSC Adv.","2014","","","","","10.1039/C4RA10540K","","","0.71073","MoKα","","0.0465","0.0401","","","0.1161","0.1237","","","","","","1.042","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218589","8.5845","0.0003","10.8223","0.0003","12.5073","0.0004","84.207","0.002","72.287","0.002","75.18","0.002","1069.73","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N5 O S -","- C21 H25 N5 O S -","- C42 H50 N10 O2 S2 -","2","1","","Sarkar, Satavisha; Das, Deb K.; Khan, Abu T.","Synthesis of fully-substituted pyridines and dihydropyridines in a highly chemoselective manner utilizing a multicomponent reaction (MCR) strategy","RSC Adv.","2014","4","96","53752","","10.1039/C4RA08237K","","","0.71073","MoKα","","0.0952","0.0772","","","0.2353","0.2513","","","","","","1.086","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218590","12.968","0.002","10.2902","0.0018","13.385","0.002","90","","98.889","0.012","90","","1764.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cl N5 -","- C20 H16 Cl N5 -","- C80 H64 Cl4 N20 -","4","1","","Sarkar, Satavisha; Das, Deb K.; Khan, Abu T.","Synthesis of fully-substituted pyridines and dihydropyridines in a highly chemoselective manner utilizing a multicomponent reaction (MCR) strategy","RSC Adv.","2014","4","96","53752","","10.1039/C4RA08237K","","","0.71073","MoKα","","0.1914","0.1537","","","0.3668","0.3821","","","","","","1.01","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218591","9.845","0.003","10.397","0.003","12.979","0.003","86.88","0.007","81.723","0.007","84.775","0.007","1308.1","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 N4 O9 S -","- C29 H22 N4 O9 S -","- C58 H44 N8 O18 S2 -","2","1","","Kand, Dnyaneshwar; Mandal, Prashant Sahebrao; Saha, Tanmoy; Talukdar, Pinaki","Structural imposition on off-on response of naphthalimide based probes for selective thiophenol sensing","RSC Adv.","2014","","","","","10.1039/C4RA09042J","","","0.71073","MoKα","","0.1017","0.0504","","","0.1015","0.1238","","","","","","1.006","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218592","9.1288","0.0011","11.3679","0.0011","12.866","0.002","82.529","0.003","83.305","0.002","80.818","0.002","1300.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 N4 O9 S -","- C29 H22 N4 O9 S -","- C58 H44 N8 O18 S2 -","2","1","","Kand, Dnyaneshwar; Mandal, Prashant Sahebrao; Saha, Tanmoy; Talukdar, Pinaki","Structural imposition on off-on response of naphthalimide based probes for selective thiophenol sensing","RSC Adv.","2014","","","","","10.1039/C4RA09042J","","","0.71073","MoKα","","0.1243","0.0655","","","0.1525","0.1831","","","","","","1.024","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218593","12.528","0.008","12.424","0.005","10.381","0.01","97.25","0.06","113.87","0.07","62.167","0.025","1302.7","1.8","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 Cu O12 -","- C28 H18 Cu O12 -","- C56 H36 Cu2 O24 -","2","1","","Das, Saurabh; Das, Piyal; Jain, Chetan Kumar; Dey, Sanjoy Kumar; Saha, Rajat; Chowdhury, Abhishek Dutta; Choudhury, Susanta Roy; Kumar, Sanjay; Majumder, Hemanta Kumar","Synthesis, crystal structure, DNA interaction and in vitro anticancer activity of a novel Cu(II) complex of purpurin: Dual poison for human DNA topoisomerase I and II","RSC Adv.","2014","","","","","10.1039/C4RA07127A","powder diffraction","x-ray","1.5418","","","","","","","","","0.158539","","8.47","","","","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218594","10.2877","0.0005","10.7888","0.0005","16.6377","0.0007","90","","90","","90","","1846.65","0.15","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Dy4 H10 O23 S4 -","- Dy4 H4 O23 S4 -","- Dy16 H16 O92 S16 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Ferromagnetically coupled chiral dysprosium hydroxysulfate and centrosymmetric dysprosium hydroxysulfate-oxalate: Dy4(OH)4cubane based high-connected networks via in situ conversion of organosulfur to sulfate","RSC Adv.","2014","4","96","53954","","10.1039/C4RA07436J","","","0.71073","MoKα","","0.0189","0.0186","","","0.0521","0.0523","","","","","","0.92","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218595","9.4145","0.0008","14.6978","0.0012","15.2089","0.0013","90","","90","","90","","2104.5","0.3","298","2","298","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C2 H16 Dy4 O26 S3 -","- C2 H4 Dy4 O26 S3 -","- C8 H16 Dy16 O104 S12 -","4","0.5","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Ferromagnetically coupled chiral dysprosium hydroxysulfate and centrosymmetric dysprosium hydroxysulfate-oxalate: Dy4(OH)4cubane based high-connected networks via in situ conversion of organosulfur to sulfate","RSC Adv.","2014","4","96","53954","","10.1039/C4RA07436J","","","0.71073","MoKα","","0.0424","0.0384","","","0.1131","0.1178","","","","","","1.078","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218596","23.9173","0.0015","6.733","0.0003","7.7378","0.0005","90","","90","","90","","1246.06","0.13","100","0.1","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Bandyopadhyay, Subhajit; Roy, Biswajit; Hatai, Joydev; Mondal, Debashis","A highly efficient tandem [3+2] “click” cycloaddition /6-exo-cyclization strategy for the construction of triazole fused pyrazines","RSC Adv.","2014","","","","","10.1039/C4RA12489H","","","0.7107","MoKα","","0.0589","0.0555","","","0.1443","0.1482","","","","","","1.044","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218597","7.9981","0.0014","15.012","0.003","22.533","0.005","108.53","0.003","99.724","0.003","92.76","0.002","2513.3","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H40 B Cl3 F2 N5 O4 S2 -","- C60 H40 B Cl3 F2 N5 O4 S2 -","- C120 H80 B2 Cl6 F4 N10 O8 S4 -","2","1","","Bandi, Venugopal; Gobeze, Habtom B.; Nesterov, Vladimir N.; Karr, Paul A.; D'Souza, Francis","Phenothiazine-azaBODIPY-fullerene supramolecules: syntheses, structural characterization, and photochemical studies.","Physical chemistry chemical physics : PCCP","2014","16","46","25537","25547","10.1039/c4cp03400g","","","0.71073","MoKα","","0.1497","0.0863","","","0.2051","0.2368","","","","","","1.094","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218598","5.5647","0.0002","10.687","0.0005","11.8501","0.0005","90","","90","","90","","704.72","0.05","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","cobaltvanadate","","","- Co H4 O8 V2 -","- Co4 H16 O32 V8 -","- Co4 H16 O32 V8 -","1","0.125","","Mondal, Chanchal; Sasmal, Anup Kumar; Yusuf, Seikh M.; Mukadam, Mayuresh; Pal, Jaya; Ganguly, Mainak; Pal, T.","Modified Hydrothermal Reaction (MHT) for CoV2O6.4H2O Nanowire formation and its transformation to CoV2O6.2H2O Single-crystal for antiferromagnetic ordering and spin-flop","RSC Adv.","2014","","","","","10.1039/C4RA09976A","","","0.71073","MoKα","","0.0174","0.0166","","","0.0513","0.0517","","","","","","1.086","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218599","15.0545","0.0011","12.7946","0.0007","17.315","0.001","90","","105.464","0.007","90","","3214.4","0.4","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 F24 N6 O28 S8 Sc4 -","- C26 H30 F24 N6 O28 S8 Sc4 -","- C52 H60 F48 N12 O56 S16 Sc8 -","2","0.5","","Hu, Fangyu; Xie, shoulei; Jiang, Liming; Shen, Zhiquan","Living cationic ring-opening polymerization of 2-oxazolines initiated by rare-earth metal triflates","RSC Adv.","2014","","","","","10.1039/C4RA11404C","","","0.71073","MoKα","","0.0834","0.0558","","","0.1358","0.1558","","","","","","1.023","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218600","14.551","0.004","14.805","0.004","18.52","0.007","110.957","0.004","92.602","0.004","117.093","0.003","3211.2","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H58 Ag11 F15 O11 -","- C47 H57 Ag11 F15 O11 -","- C94 H114 Ag22 F30 O22 -","2","1","","Zhou, Kun; Qin, Chao; Yan, Li-Kai; Wang, Fang-Ming; Su, Zhong-Min","Facile assembly of 1D multinuclear Agn (n = 11, 11, 12) alkynly chains with CF3COO‒/CH3COO‒ as auxiliary ligand","RSC Adv.","2014","","","","","10.1039/C4RA09876E","","","0.71073","MoKα","","0.1989","0.0781","","","0.1667","0.2233","","","","","","0.95","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218601","13.983","0.005","14.005","0.005","18.653","0.005","99.434","0.005","99.09","0.005","116.326","0.005","3117.9","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H75 Ag11 O8 -","- C50 H75 Ag11 O8 -","- C100 H150 Ag22 O16 -","2","1","","Zhou, Kun; Qin, Chao; Yan, Li-Kai; Wang, Fang-Ming; Su, Zhong-Min","Facile assembly of 1D multinuclear Agn (n = 11, 11, 12) alkynly chains with CF3COO‒/CH3COO‒ as auxiliary ligand","RSC Adv.","2014","","","","","10.1039/C4RA09876E","","","0.71069","MoKα","","0.1556","0.0639","","","0.1314","0.1799","","","","","","0.993","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218602","11.49","0.005","23.129","0.005","14.609","0.005","90","0.005","106.035","0.005","90","0.005","3731","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H65 Ag12 F15 O11 -","- C52 H63 Ag12 F15 O11 -","- C104 H126 Ag24 F30 O22 -","2","1","","Zhou, Kun; Qin, Chao; Yan, Li-Kai; Wang, Fang-Ming; Su, Zhong-Min","Facile assembly of 1D multinuclear Agn (n = 11, 11, 12) alkynly chains with CF3COO‒/CH3COO‒ as auxiliary ligand","RSC Adv.","2014","","","","","10.1039/C4RA09876E","","","0.71069","MoKα","","0.0943","0.0607","","","0.1453","0.1663","","","","","","1.036","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218603","10.441","0.002","13.358","0.003","11.148","0.002","90","","116.108","0.004","90","","1396.2","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Br N -","- C17 H12 Br N -","- C68 H48 Br4 N4 -","4","1","","Wang, Shu-Wen; Guo, Wei-Si; Wen, Li-Rong; Li, Ming","A new approach to pyridines through the reactions of methyl ketones with 1,2,4-triazines","RSC Adv.","2014","","","","","10.1039/C4RA11294F","","","0.71073","MoKα","","0.0936","0.0412","","","0.0942","0.1188","","","","","","1.002","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218613","13.6048","0.0006","6.5235","0.0003","19.0029","0.0012","90","","110.595","0.006","90","","1578.74","0.15","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl N4 O8 Zn -","- C11 H13 Cl N4 O8 Zn -","- C44 H52 Cl4 N16 O32 Zn4 -","4","1","","Jana, Swapan Kumar; Seth, Saikat Kumar; Puschmann, Horst; Hossain, Maidul; DALAI, SUDIPTA","Synthesis, X-ray Structure of a New Zinc(II) Coordination Polymer : Interaction With DNA, Double Stranded RNA and Elucidation of the Molecular Aspects of the Binding to Bovine Serum Albumin.","RSC Adv.","2014","","","","","10.1039/C4RA06588C","","","0.7107","MoKα","","0.0369","0.0305","","","0.0669","0.0705","","","","","","1.072","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218614","9.568","0.003","17.673","0.006","9.56","0.003","90","","90","","90","","1616.6","0.9","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C22 H32 Br4 Cu4 N8 -","- C22 H32 Br4 Cu4 N8 -","- C44 H64 Br8 Cu8 N16 -","2","0.5","","Xue, Li-Ping; Chang, xinhong; Ma, Lufang; Wang, Liya","Four d10 metal coordination polymers based on bis(2-methyl imidazole) spacers: syntheses, interpenetrating structures and photoluminescence properties","RSC Adv.","2014","","","","","10.1039/C4RA10331A","","","0.71073","MoKα","","0.0335","0.0265","","","0.0513","0.0534","","","","","","1.014","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218615","9.2703","0.0014","13.966","0.002","14.65","0.002","90","","90","","90","","1896.7","0.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H18 Cd N4 O4 S -","- C17 H18 Cd N4 O4 S -","- C68 H72 Cd4 N16 O16 S4 -","4","1","","Xue, Li-Ping; Chang, xinhong; Ma, Lufang; Wang, Liya","Four d10 metal coordination polymers based on bis(2-methyl imidazole) spacers: syntheses, interpenetrating structures and photoluminescence properties","RSC Adv.","2014","","","","","10.1039/C4RA10331A","","","0.71073","MoKα","","0.0387","0.0302","","","0.0556","0.0574","","","","","","1.072","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218616","9.4781","0.001","13.8347","0.0014","15.4666","0.0016","90","","90","","90","","2028.1","0.4","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H18 Cd N3 O4 S -","- C19 H18 Cd N3 O4 S -","- C76 H72 Cd4 N12 O16 S4 -","4","1","","Xue, Li-Ping; Chang, xinhong; Ma, Lufang; Wang, Liya","Four d10 metal coordination polymers based on bis(2-methyl imidazole) spacers: syntheses, interpenetrating structures and photoluminescence properties","RSC Adv.","2014","","","","","10.1039/C4RA10331A","","","0.71073","MoKα","","0.0276","0.0244","","","0.0602","0.0627","","","","","","1.026","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218617","9.4933","0.0012","19.38","0.002","11.4845","0.0014","90","","94.559","0.002","90","","2106.2","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N4 O4 S Zn -","- C18 H20 N4 O4 S Zn -","- C72 H80 N16 O16 S4 Zn4 -","4","1","","Xue, Li-Ping; Chang, xinhong; Ma, Lufang; Wang, Liya","Four d10 metal coordination polymers based on bis(2-methyl imidazole) spacers: syntheses, interpenetrating structures and photoluminescence properties","RSC Adv.","2014","","","","","10.1039/C4RA10331A","","","0.71073","MoKα","","0.0455","0.0326","","","0.081","0.0885","","","","","","1.025","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218618","15.852","0.005","6.0728","0.0013","17.75","0.005","90","","114.655","0.009","90","","1552.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Thottiparambil, Abhineeshbabu; Anil Kumar, P. R.; Chakkumkumarath, Lakshmi","Styrylcyanine-based ratiometric and tunable fluorescent pH sensors","RSC Adv.","2014","4","99","56063","","10.1039/C4RA10959G","","","0.71073","MoKα","","0.0862","0.0529","","","0.1432","0.1731","","","","","","1.076","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218619","16.299","0.002","5.7664","0.0006","16.537","0.002","90","","92.692","0.005","90","","1552.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Thottiparambil, Abhineeshbabu; Anil Kumar, P. R.; Chakkumkumarath, Lakshmi","Styrylcyanine-based ratiometric and tunable fluorescent pH sensors","RSC Adv.","2014","4","99","56063","","10.1039/C4RA10959G","","","0.71073","MoKα","","0.0849","0.0491","","","0.127","0.1602","","","","","","1.048","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218620","9.88","","10.507","","20.929","","90","","90","","90","","2172.62","","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 B O2 P -","- C22 H38 B O2 P -","- C88 H152 B4 O8 P4 -","4","1","","Vidal-Ferran, Anton; Fernández-Pérez, Héctor; Etayo, Pablo; Núñez-Rico, José Luis; Bugga, Balakrishna","Ring-opening of Enantiomerically Pure Oxa-containing Heterocycles with Phosphorus Nucleophiles","RSC Adv.","2014","","","","","10.1039/C4RA10432C","","","0.71073","MoKα","","0.0359","0.0327","","","0.0874","0.0892","","","","","","1.072","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218621","9.355","0.0007","33.043","0.003","13.5151","0.0011","90","","107.899","0.002","90","","3975.5","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H26 B O2 P -","- C22 H26 B O2 P -","- C176 H208 B8 O16 P8 -","8","4","","Vidal-Ferran, Anton; Fernández-Pérez, Héctor; Etayo, Pablo; Núñez-Rico, José Luis; Bugga, Balakrishna","Ring-opening of Enantiomerically Pure Oxa-containing Heterocycles with Phosphorus Nucleophiles","RSC Adv.","2014","","","","","10.1039/C4RA10432C","","","0.71073","MoKα","","0.0622","0.0554","","","0.1304","0.1336","","","","","","1.077","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218622","9.6592","0.0006","12.9354","0.0011","14.2059","0.0009","90","","106.664","0.002","90","","1700.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H50 B O2 P -","- C40 H50 B O2 P -","- C80 H100 B2 O4 P2 -","2","1","","Vidal-Ferran, Anton; Fernández-Pérez, Héctor; Etayo, Pablo; Núñez-Rico, José Luis; Bugga, Balakrishna","Ring-opening of Enantiomerically Pure Oxa-containing Heterocycles with Phosphorus Nucleophiles","RSC Adv.","2014","","","","","10.1039/C4RA10432C","","","0.71073","MoKα","","0.0575","0.0552","","","0.1408","0.1435","","","","","","1.056","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218623","9.1144","0.0006","10.1755","0.0007","9.5868","0.0009","90","","97.133","0.004","90","","882.23","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 B O P -","- C20 H22 B O P -","- C40 H44 B2 O2 P2 -","2","1","","Vidal-Ferran, Anton; Fernández-Pérez, Héctor; Etayo, Pablo; Núñez-Rico, José Luis; Bugga, Balakrishna","Ring-opening of Enantiomerically Pure Oxa-containing Heterocycles with Phosphorus Nucleophiles","RSC Adv.","2014","","","","","10.1039/C4RA10432C","","","0.71073","MoKα","","0.0448","0.0382","","","0.0937","0.0978","","","","","","1.052","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218624","14.456","0.003","15.0089","0.0018","28.28","0.004","90","","90","","90","","6135.9","1.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 B O2 P -","- C22 H26 B O2 P -","- C264 H312 B12 O24 P12 -","12","3","","Vidal-Ferran, Anton; Fernández-Pérez, Héctor; Etayo, Pablo; Núñez-Rico, José Luis; Bugga, Balakrishna","Ring-opening of Enantiomerically Pure Oxa-containing Heterocycles with Phosphorus Nucleophiles","RSC Adv.","2014","","","","","10.1039/C4RA10432C","","","0.71073","MoKα","","0.1022","0.0514","","","0.1031","0.1278","","","","","","1.007","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218625","10.2789","0.0007","12.6688","0.0007","16.3394","0.0012","90","","101.241","0.003","90","","2086.9","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H32 B O P -","- C22 H32 B O P -","- C88 H128 B4 O4 P4 -","4","2","","Vidal-Ferran, Anton; Fernández-Pérez, Héctor; Etayo, Pablo; Núñez-Rico, José Luis; Bugga, Balakrishna","Ring-opening of Enantiomerically Pure Oxa-containing Heterocycles with Phosphorus Nucleophiles","RSC Adv.","2014","","","","","10.1039/C4RA10432C","","","0.71073","MoKα","","0.0693","0.0516","","","0.127","0.1382","","","","","","1.015","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7218626","9.316","0.0015","14.835","0.003","12.035","0.0019","90","","102.299","0.003","90","","1625.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H38 B O2 P -","- C40 H38 B O2 P -","- C80 H76 B2 O4 P2 -","2","1","","Vidal-Ferran, Anton; Fernández-Pérez, Héctor; Etayo, Pablo; Núñez-Rico, José Luis; Bugga, Balakrishna","Ring-opening of Enantiomerically Pure Oxa-containing Heterocycles with Phosphorus Nucleophiles","RSC Adv.","2014","","","","","10.1039/C4RA10432C","","","0.71073","MoKα","","0.0461","0.04","","","0.0907","0.0954","","","","","","1.037","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218627","5.8923","0.0005","11.4413","0.0009","7.6951","0.0007","90","","112.239","0.003","90","","480.18","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H9 Cl N6 O2 -","- C5 H9 Cl N6 O2 -","- C10 H18 Cl2 N12 O4 -","2","1","","Wu, Bo; Wang, Zhixin; Yang, Hongwei; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of a new family of energetic salts based on guanidinium cation containing furoxanyl functionality","RSC Adv.","2014","","","","","10.1039/C4RA11732H","","","0.71073","MoKα","","0.0785","0.0507","","","0.1002","0.1137","","","","","","1.006","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218628","10.999","0.0008","6.3838","0.0004","18.1184","0.001","90","","104.323","0.002","90","","1232.65","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N11 O4 -","- C6 H9 N11 O4 -","- C24 H36 N44 O16 -","4","1","","Wu, Bo; Wang, Zhixin; Yang, Hongwei; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of a new family of energetic salts based on guanidinium cation containing furoxanyl functionality","RSC Adv.","2014","","","","","10.1039/C4RA11732H","","","0.71073","MoKα","","0.054","0.0356","","","0.0864","0.0948","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218629","11.3383","0.001","6.2879","0.0005","18.1702","0.0012","90","","104.761","0.003","90","","1252.68","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N11 O5 -","- C6 H9 N11 O5 -","- C24 H36 N44 O20 -","4","1","","Wu, Bo; Wang, Zhixin; Yang, Hongwei; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of a new family of energetic salts based on guanidinium cation containing furoxanyl functionality","RSC Adv.","2014","","","","","10.1039/C4RA11732H","","","0.71073","MoKα","","0.0796","0.0412","","","0.0877","0.1008","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218630","9.3457","0.0006","25.7804","0.0017","13.4303","0.0009","90","","109.414","0.0019","90","","3051.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N13 O4 -","- C8 H13 N13 O4 -","- C64 H104 N104 O32 -","8","2","","Wu, Bo; Wang, Zhixin; Yang, Hongwei; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of a new family of energetic salts based on guanidinium cation containing furoxanyl functionality","RSC Adv.","2014","","","","","10.1039/C4RA11732H","","","0.71073","MoKα","","0.1013","0.0461","","","0.0879","0.0981","","","","","","1.021","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218631","8.808","0.004","19.723","0.008","9.339","0.004","90","","102.983","0.01","90","","1580.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl N2 O2 -","- C19 H13 Cl N2 O2 -","- C76 H52 Cl4 N8 O8 -","4","1","","Ganguly, Nemai C.; Mondal, Pallab; Roy, Sushmita; Mitra, Partha","Ligand-free copper-catalyzed efficient one-pot access of benzo[b]pyrido[3,2-f][1,4]oxazepinones through O-heteroarylation-Smiles rearrangement-cyclization cascade","RSC Adv.","2014","4","98","55640","","10.1039/C4RA11128A","","","0.71073","MoKα","","0.1278","0.1094","","","0.2726","0.3073","","","","","","1.245","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218632","7.983","0.002","8.944","0.003","10.904","0.003","101.512","0.005","95.264","0.006","101.942","0.005","739.2","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C38 H28 N4 O4 -","2","1","","Ganguly, Nemai C.; Mondal, Pallab; Roy, Sushmita; Mitra, Partha","Ligand-free copper-catalyzed efficient one-pot access of benzo[b]pyrido[3,2-f][1,4]oxazepinones through O-heteroarylation-Smiles rearrangement-cyclization cascade","RSC Adv.","2014","4","98","55640","","10.1039/C4RA11128A","","","0.71073","MoKα","","0.0737","0.0698","","","0.2062","0.2157","","","","","","0.924","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218633","9.151","0.002","8.668","0.001","11.631","0.002","90","","95.98","0.01","90","","917.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Co N2 O14 P4 -","- C10 H16 Co N2 O14 P4 -","- C20 H32 Co2 N4 O28 P8 -","2","0.5","","Videnova-Adrabinska, Veneta Georgieva; Wilk, Magdalena; Jarzembska, Katarzyna Natalia; Janczak, Jan; Duczmal, Marek; Hoffmann, Józef","Synthesis, structural characterization and computational studies of layered metal phosphonates: [M(HO3P‒C5H4N‒PO3H)2(H2O)2]n [MII= Co, Zn, Cd]","RSC Adv.","2014","","","","","10.1039/C4RA10257F","","","0.71073","MoKα","","0.0485","0.0258","","","0.0552","0.0611","","","","","","1.006","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218634","9.1826","0.0018","8.6841","0.0017","11.656","0.002","90","","96.31","0.03","90","","923.8","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N2 O14 P4 Zn -","- C10 H16 N2 O14 P4 Zn -","- C20 H32 N4 O28 P8 Zn2 -","2","0.5","","Videnova-Adrabinska, Veneta Georgieva; Wilk, Magdalena; Jarzembska, Katarzyna Natalia; Janczak, Jan; Duczmal, Marek; Hoffmann, Józef","Synthesis, structural characterization and computational studies of layered metal phosphonates: [M(HO3P‒C5H4N‒PO3H)2(H2O)2]n [MII= Co, Zn, Cd]","RSC Adv.","2014","","","","","10.1039/C4RA10257F","","","0.71073","MoKα","","0.0378","0.027","","","0.0666","0.0701","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218635","9.331","0.002","8.663","0.001","11.793","0.002","90","","96.33","0.01","90","","947.5","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Cd N2 O14 P4 -","- C10 H16 Cd N2 O14 P4 -","- C20 H32 Cd2 N4 O28 P8 -","2","0.5","","Videnova-Adrabinska, Veneta Georgieva; Wilk, Magdalena; Jarzembska, Katarzyna Natalia; Janczak, Jan; Duczmal, Marek; Hoffmann, Józef","Synthesis, structural characterization and computational studies of layered metal phosphonates: [M(HO3P‒C5H4N‒PO3H)2(H2O)2]n [MII= Co, Zn, Cd]","RSC Adv.","2014","","","","","10.1039/C4RA10257F","","","0.71073","MoKα","","0.1412","0.049","","","0.0657","0.0836","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218636","14.9811","0.0014","12.0288","0.0011","19.4267","0.0018","90","","97.971","0.001","90","","3467","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H40 B10 Co N O6 S3 -","- C25 H40 B10 Co N O6 S3 -","- C100 H160 B40 Co4 N4 O24 S12 -","4","1","","Zhong, Wei; Xie, Mingshi; Li, Yizhi; Yan, Hong","Investigation into the reactivity of 16-electron complexes Cp#Co(S2C2B10H10) (Cp# = Cp, Cp*) towards methyl diazoacetate and toluenesulphonyl azide","RSC Adv.","2014","","","","","10.1039/C4RA13017K","","","0.71073","MoKα","","0.077","0.0473","","","0.1117","0.1216","","","","","","1.012","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218637","15.4506","0.001","13.6578","0.0009","34.644","0.002","90","","90","","90","","7310.6","0.8","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H40 B10 Co N3 O6 S3 -","- C25 H40 B10 Co N5 O4 S3 -","- C200 H320 B80 Co8 N40 O32 S24 -","8","1","","Zhong, Wei; Xie, Mingshi; Li, Yizhi; Yan, Hong","Investigation into the reactivity of 16-electron complexes Cp#Co(S2C2B10H10) (Cp# = Cp, Cp*) towards methyl diazoacetate and toluenesulphonyl azide","RSC Adv.","2014","","","","","10.1039/C4RA13017K","","","0.71073","MoKα","","0.149","0.0489","","","0.0736","0.082","","","","","","0.986","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218638","9.4239","0.0011","9.8236","0.0011","15.0407","0.0017","82.461","0.002","89.994","0.002","73.199","0.002","1320.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H34 B9 Co N0 O4 S2 -","- C18 H34 B9 Co O4 S2 -","- C36 H68 B18 Co2 O8 S4 -","2","1","","Zhong, Wei; Xie, Mingshi; Li, Yizhi; Yan, Hong","Investigation into the reactivity of 16-electron complexes Cp#Co(S2C2B10H10) (Cp# = Cp, Cp*) towards methyl diazoacetate and toluenesulphonyl azide","RSC Adv.","2014","","","","","10.1039/C4RA13017K","","","0.71073","MoKα","","0.0506","0.0436","","","0.1328","0.1385","","","","","","1.036","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218639","7.504","0.004","10.477","0.005","16.018","0.008","103.281","0.008","96.54","0.008","107.695","0.008","1144.5","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H29 B10 Co N0 O3 S2 -","- C14 H29 B10 Co O3 S2 -","- C28 H58 B20 Co2 O6 S4 -","2","1","","Zhong, Wei; Xie, Mingshi; Li, Yizhi; Yan, Hong","Investigation into the reactivity of 16-electron complexes Cp#Co(S2C2B10H10) (Cp# = Cp, Cp*) towards methyl diazoacetate and toluenesulphonyl azide","RSC Adv.","2014","","","","","10.1039/C4RA13017K","","","0.71073","MoKα","","0.1132","0.0658","","","0.1515","0.1654","","","","","","0.996","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218640","10.3728","0.0008","13.1268","0.001","16.7553","0.0011","90","","90","","90","","2281.4","0.3","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 B9 Co O2 S2 -","- C14 H27 B9 Co O2 S2 -","- C56 H108 B36 Co4 O8 S8 -","4","1","","Zhong, Wei; Xie, Mingshi; Li, Yizhi; Yan, Hong","Investigation into the reactivity of 16-electron complexes Cp#Co(S2C2B10H10) (Cp# = Cp, Cp*) towards methyl diazoacetate and toluenesulphonyl azide","RSC Adv.","2014","","","","","10.1039/C4RA13017K","","","0.71073","MoKα","","0.0686","0.0564","","","0.1121","0.1153","","","","","","1.085","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218641","6.5496","0.0008","12.0999","0.0015","22.472","0.003","90","","94.648","0.002","90","","1775","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 B10 Co O2 S2 -","- C10 H19 B10 Co O2 S2 -","- C40 H76 B40 Co4 O8 S8 -","4","1","","Zhong, Wei; Xie, Mingshi; Li, Yizhi; Yan, Hong","Investigation into the reactivity of 16-electron complexes Cp#Co(S2C2B10H10) (Cp# = Cp, Cp*) towards methyl diazoacetate and toluenesulphonyl azide","RSC Adv.","2014","","","","","10.1039/C4RA13017K","","","0.71073","MoKα","","0.0657","0.0511","","","0.1063","0.1109","","","","","","0.945","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218642","7.6763","0.0006","10.9331","0.0008","16.1145","0.0012","94.315","0.001","92.673","0.001","95.658","0.001","1340.03","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H26 B10 Co N O4 S3 -","- C17 H26 B10 Co N O4 S3 -","- C34 H52 B20 Co2 N2 O8 S6 -","2","1","","Zhong, Wei; Xie, Mingshi; Li, Yizhi; Yan, Hong","Investigation into the reactivity of 16-electron complexes Cp#Co(S2C2B10H10) (Cp# = Cp, Cp*) towards methyl diazoacetate and toluenesulphonyl azide","RSC Adv.","2014","","","","","10.1039/C4RA13017K","","","0.71073","MoKα","","0.0447","0.0355","","","0.0808","0.0837","","","","","","1.038","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218643","25.736","0.007","11.733","0.003","18.79","0.005","90","","120.046","0.003","90","","4911","2","260","2","260","2","","","","","","","no","3","C 1 2/c 1","-C 2yc","15","GeMolecularGyrotop","GeMolecularGyrotop","","- C48 H88 Ge2 -","- C48 H88 Ge2 -","- C192 H352 Ge8 -","4","0.5","","Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","A crystalline molecular gyrotop with germanium junctions between a phenylene rotor and alkyl spokes","RSC Adv.","2014","","","","","10.1039/C4RA11705K","","","0.71073","MoKα","","0.139","0.064","","","0.1884","0.2352","","","","","","1.015","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218644","26.056","0.01","11.558","0.004","19.19","0.007","90","","118.979","0.004","90","","5056","3","300","2","300","2","","","","","","","no","3","C 1 c 1","C -2yc","9","GeMolecularGyrotop","GeMolecularGyrotop","","- C48 H88 Ge2 -","- C48 H88 Ge2 -","- C192 H352 Ge8 -","4","1","","Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","A crystalline molecular gyrotop with germanium junctions between a phenylene rotor and alkyl spokes","RSC Adv.","2014","","","","","10.1039/C4RA11705K","","","0.71073","MoKα","","0.1889","0.0712","","","0.1778","0.2648","","","","","","0.895","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218645","26.17","0.017","11.561","0.008","19.398","0.013","90","","118.837","0.007","90","","5141","6","340","2","340","2","","","","","","","no","3","C 1 c 1","C -2yc","9","GeMolecularGyrotop","GeMolecularGyrotop","","- C48 H88 Ge2 -","- C48.028 H88.028 Ge2 -","- C192.112 H352.112 Ge8 -","4","1","","Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","A crystalline molecular gyrotop with germanium junctions between a phenylene rotor and alkyl spokes","RSC Adv.","2014","","","","","10.1039/C4RA11705K","","","0.71073","MoKα","","0.2226","0.0585","","","0.1405","0.2312","","","","","","0.859","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7218647","12.7799","0.0016","12.897","0.0016","7.5173","0.0009","90","","99.827","0.01","90","","1220.8","0.3","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","4-hydroxy-3-methoxy-N-phenylbenzothioamide","","- C14 H13 N O2 S -","- C14 H13 N O2 S -","- C56 H52 N4 O8 S4 -","4","1","","Prabhu, Kandikere Ramaiah; Varun, Begur Vasanthkumar; Sood, Ankush","A metal-free and a solvent-free synthesis of thio-amides and amides: An efficient Friedel-Crafts arylation of isothiocyanates and isocyanates","RSC Adv.","2014","","","","","10.1039/C4RA12944J","","","0.71073","MoKα","","0.038","0.0354","","","0.0844","0.0866","","","","","","1.028","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218648","18.6698","0.0007","18.6698","","18.6698","","90","","90","","90","","6507.6","0.2","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- Al0.1 Cs0.1 O Si0.4 -","- Al0.10415 Cs0.104169 O Si0.39585 -","- Al19.9968 Cs20.0004 O192 Si76.0032 -","192","2","","Remy, Tom; Gobechiya, Elena; Danaci, David; Peter, Sunil Adavanal; xiao, penny; Van Tendeloo, Leen; Couck, Sarah; Shang, Jin; Kirschhock, Christine E. A.; singh, ranjeet; Martens, Johan; Baron, Gino V.; Webley, Paul; Denayer, Joeri F. M.","Biogas upgrading through kinetic separation of carbon dioxide and methane over Rb- and Cs-ZK-5 zeolites","RSC Adv.","2014","","","","","10.1039/C4RA12460J","powder diffraction","","","","","","","","","","","","","1.4","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218649","18.6329","0.001","18.6329","","18.6329","","90","","90","","90","","6469.1","0.3","","","","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- Al0.1 K0 O Rb0.1 Si0.4 -","- Al0.10415 K0.003125 O Rb0.102356 Si0.39585 -","- Al19.9968 K0.6 O192 Rb19.6524 Si76.0032 -","192","2","","Remy, Tom; Gobechiya, Elena; Danaci, David; Peter, Sunil Adavanal; xiao, penny; Van Tendeloo, Leen; Couck, Sarah; Shang, Jin; Kirschhock, Christine E. A.; singh, ranjeet; Martens, Johan; Baron, Gino V.; Webley, Paul; Denayer, Joeri F. M.","Biogas upgrading through kinetic separation of carbon dioxide and methane over Rb- and Cs-ZK-5 zeolites","RSC Adv.","2014","","","","","10.1039/C4RA12460J","powder diffraction","","","","","","","","","","","","","1.59","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218650","9.1367","0.0009","10.0617","0.001","14.3025","0.0015","94.058","0.004","99.914","0.004","114.793","0.004","1160.7","0.2","115","","115","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 N3 O3 S -","- C28 H23 N3 O3 S -","- C56 H46 N6 O6 S2 -","2","1","","Haddad, Saoussen; Boudriga, Sarra; Porzio, François; Soldera, Armand; Askri, Moheddine; Sriram, Dharmarajan; Yogeeswari, Perumal; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek","Synthesis of novel dispiropyrrolothiazoles by three-component 1,3-dipolar cycloaddition and evaluation of their antimycobacterial activity","RSC Adv.","2014","","","","","10.1039/C4RA11940A","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0418","0.0336","","","0.0832","0.0888","","","","","","1.015","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218651","7.6383","0.0007","9.0793","0.0008","12.1907","0.001","103.312","0.003","93.496","0.003","96.408","0.003","814.28","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Cl N O -","- C21 H14 Cl N O -","- C42 H28 Cl2 N2 O2 -","2","1","","Patel, Bhisma K.; Gogoi, Anupal; Guin, Srimant; Rout, Saroj Kumar; Ganesh, Majji","A Cu-catalysed synthesis of substituted 3-methyleneisoindolin-1-one","RSC Adv.","2014","","","","","10.1039/C4RA12782J","","","0.71073","MoKα","","0.0542","0.0412","","","0.1122","0.1201","","","","","","1.001","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218652","13.404","0.0004","25.1954","0.0006","12.1027","0.0004","90","","101.642","0.003","90","","4003.2","0.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H7 F3 O4 S -","- C14 H7 F3 O4 S -","- C168 H84 F36 O48 S12 -","12","3","","Anamimoghadam, Ommid; Long, De-Liang; Bucher, Götz","9-Iodophenalenone and 9-trifluoromethanesulfonyloxyphenalenone: convenient entry points to new phenalenones functionalised at the 9-position. Iodine-carbonyl interaction studies by X-ray crystallography","RSC Adv.","2014","4","100","56654","","10.1039/C4RA00178H","","","0.71073","MoKα","","0.0596","0.0417","","","0.078","0.0876","","","","","","1.058","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218653","23.961","0.005","23.211","0.005","6.8908","0.0016","90","","90","","90","","3832.4","1.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20.5 H15 F3 N O4.5 S -","- C20.5 H15 F3 N O4.5 S -","- C164 H120 F24 N8 O36 S8 -","8","2","","Anamimoghadam, Ommid; Long, De-Liang; Bucher, Götz","9-Iodophenalenone and 9-trifluoromethanesulfonyloxyphenalenone: convenient entry points to new phenalenones functionalised at the 9-position. Iodine-carbonyl interaction studies by X-ray crystallography","RSC Adv.","2014","4","100","56654","","10.1039/C4RA00178H","","","0.71073","MoKα","","0.2125","0.0736","","","0.1198","0.1668","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218654","12.8997","0.0018","12.184","0.002","13.1411","0.0013","90","","101.649","0.01","90","","2022.8","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 I O -","- C13 H7 I O -","- C104 H56 I8 O8 -","8","1","","Anamimoghadam, Ommid; Long, De-Liang; Bucher, Götz","9-Iodophenalenone and 9-trifluoromethanesulfonyloxyphenalenone: convenient entry points to new phenalenones functionalised at the 9-position. Iodine-carbonyl interaction studies by X-ray crystallography","RSC Adv.","2014","4","100","56654","","10.1039/C4RA00178H","","","0.71073","MoKα","","0.0464","0.0338","","","0.0652","0.0712","","","","","","1.122","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218655","7.5727","0.0009","8.2341","0.0009","14.4327","0.0019","100.949","0.01","96.44","0.01","94.028","0.009","874.11","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 N O -","- C13 H5 N O -","- C52 H20 N4 O4 -","4","2","","Anamimoghadam, Ommid; Long, De-Liang; Bucher, Götz","9-Iodophenalenone and 9-trifluoromethanesulfonyloxyphenalenone: convenient entry points to new phenalenones functionalised at the 9-position. Iodine-carbonyl interaction studies by X-ray crystallography","RSC Adv.","2014","4","100","56654","","10.1039/C4RA00178H","","","0.71073","MoKα","","0.1768","0.0976","","","0.28","0.3178","","","","","","1.078","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218656","10.6688","0.0003","11.4952","0.0003","12.9734","0.0003","90","","106.722","0.001","90","","1523.78","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cu N4 O -","- C14 H15 Cu N4 O -","- C56 H60 Cu4 N16 O4 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0458","0.0327","","","0.0843","0.0913","","","","","","1.035","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218657","9.4249","0.0002","14.2699","0.0004","11.4988","0.0003","90","","100.705","0.001","90","","1519.59","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cu N5 O -","- C14 H16 Cu N5 O -","- C56 H64 Cu4 N20 O4 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0404","0.0341","","","0.0973","0.1021","","","","","","1.077","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218658","10.5252","0.0002","11.1791","0.0002","13.0198","0.0002","90","","106.232","0.001","90","","1470.87","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cu N4 O -","- C15 H17 Cu N4 O -","- C60 H68 Cu4 N16 O4 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0339","0.0281","","","0.0723","0.0757","","","","","","1.054","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218659","20.8634","0.0007","21.3369","0.0008","22.7994","0.0008","90","","98.646","0.002","90","","10034","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Cu4 N16 O2 -","- C46 H36 Cu4 N16 O2 -","- C368 H288 Cu32 N128 O16 -","8","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.1056","0.0595","","","0.1588","0.1776","","","","","","1.031","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218660","20.8705","0.0003","21.3742","0.0003","22.7059","0.0003","90","","99.182","0.001","90","","9999.1","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Cu4 N16 O2 -","- C48 H42 Cu4 N16 O2 -","- C384 H336 Cu32 N128 O16 -","8","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0641","0.0414","","","0.1065","0.1176","","","","","","1.039","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218661","21.0123","0.0005","21.4061","0.0005","22.6642","0.0005","90","","99.495","0.001","90","","10054.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 Cu4 N16 O2 -","- C52 H48 Cu4 N16 O2 -","- C416 H384 Cu32 N128 O16 -","8","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0904","0.0578","","","0.1527","0.1706","","","","","","1.073","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218662","16.2527","0.0009","12.3588","0.0008","17.4471","0.001","90","","114.657","0.003","90","","3185","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 B Cu3 F4 N8 O3 -","- C24 H18 B Cu3 F4 N8 O3 -","- C96 H72 B4 Cu12 F16 N32 O12 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.1028","0.0629","","","0.1825","0.209","","","","","","1.044","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218663","16.2717","0.0002","12.6684","0.0002","17.6021","0.0002","90","","112.523","0.001","90","","3351.68","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cl Cu3 N8 O5 -","- C24 H18 Cl Cu3 N8 O5 -","- C96 H72 Cl4 Cu12 N32 O20 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0641","0.0457","","","0.1423","0.1562","","","","","","1.05","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218664","27.319","0.003","8.7331","0.0007","55.699","0.008","90","","95.685","0.009","90","","13223","3","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Hexamethylenetetramine 5,10,15,20-tetra(perfluoro-4'-iodophenyl)porphyrin","","- C50 H22 F16 I4 N8 -","- C50 H22 F16 I4 N8 -","- C400 H176 F128 I32 N64 -","8","2","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.1201","0.0565","","","0.0818","0.1058","","","","","","0.992","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218665","5.8849","0.0013","24.903","0.003","6.2247","0.0008","90","","98.864","0.011","90","","901.3","0.3","250","2","250","2","","","","","","","","5","P 1 m 1","P -2y","6","","Hexamethylenetetramine 1,3,5-Trifluoro-2,4,6-tri-iodobenzene","","- C12 H12 F3 I3 N4 -","- C12 H12 F3 I3 N4 -","- C24 H24 F6 I6 N8 -","2","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.0337","0.0292","","","0.0683","0.0699","","","","","","1.043","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218666","6.2751","0.0003","23.2198","0.0011","11.8609","0.0006","90","","103.297","0.005","90","","1681.88","0.15","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Diazabicyclo(2.2.2)octane 1,3,5-Trifluoro-2,4,6-tri-iodobenzene","","- C12 H12 F3 I3 N2 -","- C12 H12 F3 I3 N2 -","- C48 H48 F12 I12 N8 -","4","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.0576","0.0342","","","0.0784","0.0972","","","","","","1.089","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218667","4.114","0.0008","9.071","0.0009","24.104","0.005","90","","91.621","0.019","90","","899.2","0.3","250","2","250","2","","","","","","","","5","P 1 n 1","P -2yac","7","","1,3,5-Trifluoro-2,4,6-tri-iodobenzene 4,4'-bipyridine","","- C16 H8 F3 I3 N2 -","- C16 H8 F3 I3 N2 -","- C32 H16 F6 I6 N4 -","2","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.0725","0.0566","","","0.1403","0.1488","","","","","","1.07","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218668","6.8359","0.0004","10.9401","0.0006","11.4732","0.0007","107.204","0.005","92.82","0.006","105.33","0.004","782.88","0.09","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","1,4-Diazabicyclo(2.2.2)octane tetrafluoro-1,4-diiodobenzene","","- C12 H12 F4 I2 N2 -","- C12 H12 F4 I2 N2 -","- C24 H24 F8 I4 N4 -","2","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.068","0.0337","","","0.0667","0.0756","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218669","14.6834","0.0014","14.9015","0.0014","20.0367","0.0018","90","","107.315","0.001","90","","4185.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H90 Ag15 F6 N3 O4 -","- C67 H90 Ag15 F6 N3 O4 -","- C134 H180 Ag30 F12 N6 O8 -","2","0.5","","Zhou, Kun; Qin, Chao; Wang, Xin-Long; Yan, Li-Kai; Shao, Kui-Zhan; Su, Zhong-Min","Ag(i)-mediated formation of a 2D cyano-bridged multinuclear silver(i) alkynyl network coupled with the C‒C bond cleavage of acetonitrile","CrystEngComm","2014","16","45","10376","","10.1039/C4CE01707B","","","0.71073","MoKα","","0.0991","0.0553","","","0.1356","0.1572","","","","","","1.028","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218670","9.733","0.004","9.733","0.004","74.51","0.02","90","","90","","90","","7058","5","333","2","333","2","","","","","","","","6","I 41/a :2","-I 4ad","88","bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate(II)_dichlorobenzene_(4/1/1)","","","- C46 H36 Br4 Cl2 Mn S32 -","- C46 H36 Br4 Cl2 Mn S32 -","- C184 H144 Br16 Cl8 Mn4 S128 -","4","0.25","","Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers","CrystEngComm","2014","16","43","10103","","10.1039/C4CE01440E","","","0.71073","MoKα","","0.2577","0.0474","","","0.0767","0.0875","","","","","","0.935","","","","has coordinates,has disorder","288536","2023-12-24","00:28:32",""
"7218671","9.401","0.004","9.981","0.004","74.39","0.04","91.03","0.04","89.57","0.04","89.71","0.04","6979","6","260","2","260","2","","","","","","","","6","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate(II)_dichlorobenzene_(4/1/1)","","","- C46 H36 Br4 Cl2 Mn S32 -","- C46 H36 Br4 Cl2 Mn S32 -","- C184 H144 Br16 Cl8 Mn4 S128 -","4","","","Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers","CrystEngComm","2014","16","43","10103","","10.1039/C4CE01440E","","","0.71073","MoKα","","0.2171","0.0523","","","0.0871","0.0992","","","","","","0.995","","","","has coordinates","288536","2023-12-24","00:28:33",""
"7218672","9.6621","0.0002","9.6621","0.0002","74.3763","0.0015","90","","90","","90","","6943.5","0.2","260","2","260","2","","","","","","","","6","I 41/a :2","-I 4ad","88","bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate(II)_chlorobenzene_(4/1/1)","","","- C46 H37 Br4 Cl Mn S32 -","- C46 H37 Br4 Cl Mn S32 -","- C184 H148 Br16 Cl4 Mn4 S128 -","4","0.25","","Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers","CrystEngComm","2014","16","43","10103","","10.1039/C4CE01440E","","","0.71073","MoKα","","0.0769","0.0497","","","0.1294","0.1581","","","","","","0.925","","","","has coordinates,has disorder","288536","2023-12-24","00:28:33",""
"7218673","9.5178","0.0009","74.375","0.005","9.7697","0.0011","90","","90.326","0.01","90","","6915.7","1.1","220","2","220","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate (II)_chlorobenzene_(4/1/1)","","","- C46 H37 Br4 Cl Mn S32 -","- C46 H37 Br4 Cl Mn S32 -","- C184 H148 Br16 Cl4 Mn4 S128 -","4","0.5","","Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers","CrystEngComm","2014","16","43","10103","","10.1039/C4CE01440E","","","0.71073","MoKα","","0.1534","0.1108","","","0.276","0.3274","","","","","","1.043","","","","has coordinates,has disorder","288536","2023-12-24","00:28:33",""
"7218679","10.6171","0.0003","11.0858","0.0003","14.9945","0.0003","90","","90","","90","","1764.84","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","()-trans-NSD-09-184-F1","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C80 H100 N4 O12 -","4","1","","Dange, Nitin S.; HONG, BOR-CHERNG; Lee, Gene-Hsiang","One-pot Biomimetic Total Synthesis of Yuehchukene via the Organocatalytic Alkylation-cyclization Process of a Sterically Encumbered α-Alkyl Enal","RSC Adv.","2014","","","","","10.1039/C4RA10222C","","","0.71073","MoKα","","0.1141","0.0432","","","0.093","0.1123","","","","","","0.882","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218680","9.4847","0.0002","16.2433","0.0003","16.9867","0.0003","97.456","0.001","101.802","0.002","102.069","0.002","2464.05","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H37.33 Cl5 Co N6 O3.67 -","- C14 H37.33 Cl5 Co N6 O3.665 -","- C56 H149.32 Cl20 Co4 N24 O14.66 -","4","2","","Ling, Irene; Sobolev, Alexandre N.; Hashim, Rauzah; Harrowfield, Jack M.","Stereochemistry of cage amine complexes ‒ probing the ligand conformational flexibility with hydrogen bonds","CrystEngComm","2014","16","48","11058","","10.1039/C4CE01980F","","","0.71073","MoKα","","0.0337","0.0286","","","0.0727","0.0755","","","","","","1.004","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218681","9.7649","0.0004","27.6067","0.0008","9.5645","0.0004","90","","117.183","0.005","90","","2293.59","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H70 Br Cl9 Co2 N12 O5 -","- C28 H70 Br Cl9 Co2 N12 O5 -","- C56 H140 Br2 Cl18 Co4 N24 O10 -","2","0.5","","Ling, Irene; Sobolev, Alexandre N.; Hashim, Rauzah; Harrowfield, Jack M.","Stereochemistry of cage amine complexes ‒ probing the ligand conformational flexibility with hydrogen bonds","CrystEngComm","2014","16","48","11058","","10.1039/C4CE01980F","","","0.71073","MoKα","","0.0873","0.0543","","","0.1532","0.1622","","","","","","1.019","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218682","8.9691","0.0001","15.3233","0.0002","16.3516","0.0002","90","","90","","90","","2247.3","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H35 Cl3 Co N7 O5 -","- C14 H35 Cl3 Co N7 O5 -","- C56 H140 Cl12 Co4 N28 O20 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Hashim, Rauzah; Harrowfield, Jack M.","Stereochemistry of cage amine complexes ‒ probing the ligand conformational flexibility with hydrogen bonds","CrystEngComm","2014","16","48","11058","","10.1039/C4CE01980F","","","0.71073","MoKα","","0.0345","0.0326","","","0.0872","0.0884","","","","","","1.005","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218683","10.2397","0.0008","10.0932","0.0006","8.7855","0.0006","90","","102.225","0.007","90","","887.4","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br2 Cu N2 O2 -","- C18 H18 Br2 Cu N2 O2 -","- C36 H36 Br4 Cu2 N4 O4 -","2","0.5","","Lee, Sze Koon; Tan, Kong Wai; Weng, Ng Seik","Zinc, copper and nickel derivatives of 2-[2-bromoethyliminomethyl]phenol as topoisomerase inhibitors exhibiting anti-proliferative and anti-metastatic properties","RSC Adv.","2014","","","","","10.1039/C4RA09256B","","","0.71073","MoKα","","0.0351","0.0281","","","0.0612","0.0659","","","","","","1.007","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218684","11.2099","0.0002","7.3582","0.0002","13.2536","0.0003","90","","93.857","0.002","90","","1090.74","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Br2 N2 Ni O6 -","- C18 H26 Br2 N2 Ni O6 -","- C36 H52 Br4 N4 Ni2 O12 -","2","0.5","","Lee, Sze Koon; Tan, Kong Wai; Weng, Ng Seik","Zinc, copper and nickel derivatives of 2-[2-bromoethyliminomethyl]phenol as topoisomerase inhibitors exhibiting anti-proliferative and anti-metastatic properties","RSC Adv.","2014","","","","","10.1039/C4RA09256B","","","1.54184","CuKα","","0.0314","0.03","","","0.0855","0.0869","","","","","","1.054","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218685","8.6777","0.0002","15.1269","0.0003","9.5353","0.0002","90","","96.722","0.002","90","","1243.06","0.05","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H38 O7.5 -","- C23 H38 O7.5 -","- C46 H76 O15 -","2","1","","Chen, Yanping; Liu, Qian; Gao, Hao; Lin, Haipeng; Tian, Hai-Yan; Hong, Kui; Li, J.; Jiang, Renwang; Yao, Xin-Sheng; Tang, Jinshan","Streptospirodienoic Acids A and B, 6,6-Spiroketal Polyketides from Streptomyces sp.","RSC Adv.","2014","","","","","10.1039/C4RA10672E","","","1.54184","CuKα","","0.0367","0.0341","","","0.0905","0.0931","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218686","11.1","0.002","11.164","0.002","13.061","0.002","90.629","0.01","91.51","0.01","111.09","0.02","1509.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H40 Cl Er N8 O20 -","- C12 H38 Cl Er N8 O20 -","- C24 H76 Cl2 Er2 N16 O40 -","2","1","","Janicki, Rafał; Mondry, Anna","A new approach to determination of hydration equilibria constants for the case of [Er(EDTA)(H2O)n](-) complexes.","Physical chemistry chemical physics : PCCP","2014","16","48","26823","26831","10.1039/c4cp04093g","","","0.7107","MoKα","","0.018","0.0169","","","0.0495","0.0497","","","","","","1.534","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218687","11.4955","0.0011","10.9564","0.0013","23.216","0.002","90","","95.88","0.009","90","","2908.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","L1","Ligand","","- C34 H44 N2 O -","- C34 H44 N2 O -","- C136 H176 N8 O4 -","4","1","","Mondal, Biplab; Kumar, Vikash","A fluorescence turn-on probe for selective detection of nitrogen dioxide","RSC Adv.","2014","","","","","10.1039/C4RA10426A","","","0.71073","MoKα","","0.1488","0.0701","","","0.0808","0.1002","","","","","","1.174","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218688","28.2038","0.0009","12.6258","0.0004","22.7579","0.0008","90","","128.036","0.001","90","","6382.9","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H46 Cu N2 O3 -","- C36 H46 Cu N2 O3 -","- C288 H368 Cu8 N16 O24 -","8","1","","Mondal, Biplab; Kumar, Vikash","A fluorescence turn-on probe for selective detection of nitrogen dioxide","RSC Adv.","2014","","","","","10.1039/C4RA10426A","","","0.71073","MoKα","","0.0596","0.041","","","0.0745","0.0765","","","","","","1.473","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218689","8.7916","0.0004","15.3787","0.0007","14.4","0.0005","90","","122.692","0.002","90","","1638.51","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cu2 N6 -","- C16 H14 Cu2 N6 -","- C64 H56 Cu8 N24 -","4","1","","Huang, RongYi; Xue, Chen; Zhu, Chang-Hai; Wang, Zhu-Qing; Xu, Heng; Ren, Xiao-Ming","Charge-transfer metal-organic frameworks based on CuCN architecture units: crystal structures, luminescence properties and theoretical investigations","RSC Adv.","2014","","","","","10.1039/C4RA11652F","","","0.71073","MoKα","","0.0308","0.0259","","","0.0662","0.0696","","","","","","1.006","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218690","15.7226","0.0006","14.1888","0.0006","9.1539","0.0003","90","","101.662","0.003","90","","1999.94","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Cu N3 -","- C9 H9 Cu N3 -","- C72 H72 Cu8 N24 -","8","1","","Huang, RongYi; Xue, Chen; Zhu, Chang-Hai; Wang, Zhu-Qing; Xu, Heng; Ren, Xiao-Ming","Charge-transfer metal-organic frameworks based on CuCN architecture units: crystal structures, luminescence properties and theoretical investigations","RSC Adv.","2014","","","","","10.1039/C4RA11652F","","","0.71073","MoKα","","0.04","0.0334","","","0.0993","0.1039","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218691","13.868","0.003","22.973","0.004","24.215","0.004","90","","90","","90","","7715","2","296","2","296","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C9 H9 Cu N3 -","- C9 H9 Cu N3 -","- C288 H288 Cu32 N96 -","32","1","","Huang, RongYi; Xue, Chen; Zhu, Chang-Hai; Wang, Zhu-Qing; Xu, Heng; Ren, Xiao-Ming","Charge-transfer metal-organic frameworks based on CuCN architecture units: crystal structures, luminescence properties and theoretical investigations","RSC Adv.","2014","","","","","10.1039/C4RA11652F","","","0.71073","MoKα","","0.052","0.0387","","","0.1046","0.1101","","","","","","1.004","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218692","7.3383","0.0009","9.711","0.0011","9.8336","0.0012","61.16","0.007","73.893","0.009","74.296","0.008","581.9","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 Cu3 N7 -","- C23 H18 Cu3 N7 -","- C23 H18 Cu3 N7 -","1","0.5","","Huang, RongYi; Xue, Chen; Zhu, Chang-Hai; Wang, Zhu-Qing; Xu, Heng; Ren, Xiao-Ming","Charge-transfer metal-organic frameworks based on CuCN architecture units: crystal structures, luminescence properties and theoretical investigations","RSC Adv.","2014","","","","","10.1039/C4RA11652F","","","0.71073","MoKα","","0.0886","0.0678","","","0.1921","0.2293","","","","","","1.009","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218693","20.97","0.0007","8.7014","0.0004","28.546","0.001","90","","91.07","0.002","90","","5207.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 Cu F12 N7 O4 P2 -","- C37 H40 Cu F12 N7 O4 P2 -","- C148 H160 Cu4 F48 N28 O16 P8 -","4","1","","Gama, Sofia; Rodrigues, Inês; Marques, Fernanda; Palma, Elisa; Correia, Isabel; Carvalho, M. Fernanda N.N.; Pessoa, João Costa; Cruz, Andreia; Mendo, Sónia; Santos, Isabel Cordeiro; Mendes, Filipa; Santos, Isabel; Paulo, Antonio","New ternary Bipyridine-Terpyridine Copper(II) complexes as self-activating chemical nucleases","RSC Adv.","2014","","","","","10.1039/C4RA12085J","","","0.71073","MoKα","","0.1531","0.0996","","","0.2543","0.2793","","","","","","0.958","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218694","8.2891","0.0007","17.7944","0.0008","19.6703","0.001","78.996","0.002","85.893","0.002","89.038","0.002","2840.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H48 Cu F24 N8 O2 P4 -","- C41 H48 Cu F24 N8 O2 P4 -","- C82 H96 Cu2 F48 N16 O4 P8 -","2","1","","Gama, Sofia; Rodrigues, Inês; Marques, Fernanda; Palma, Elisa; Correia, Isabel; Carvalho, M. Fernanda N.N.; Pessoa, João Costa; Cruz, Andreia; Mendo, Sónia; Santos, Isabel Cordeiro; Mendes, Filipa; Santos, Isabel; Paulo, Antonio","New ternary Bipyridine-Terpyridine Copper(II) complexes as self-activating chemical nucleases","RSC Adv.","2014","","","","","10.1039/C4RA12085J","","","0.71073","MoKα","","0.1326","0.0827","","","0.216","0.2456","","","","","","1.01","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218695","14.3639","0.0005","11.0764","0.0004","10.205","0.0004","90","","98.722","0.002","90","","1604.84","0.1","189","2","189","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,6-di(1H-indol-1-yl)hexa-2,4-diyne","1,6-di(1H-indol-1-yl)hexa-2,4-diyne","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Bassaco, Mariana; Fortes, Margiani de Paula; Back, Davi Fernando; Kaufman, Teodoro; Silveira, Claudio da Cruz","An eco-friendly synthesis of novel 3,5-disubstituted-1,2-isoxazoles in PEG-400, employing the Et3N-promoted hydroamination of symmetric and unsymmetric 1,3-diyne-indole derivatives","RSC Adv.","2014","","","","","10.1039/C4RA11571F","","","0.71073","MoKα","","0.0782","0.0465","","","0.1035","0.118","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218696","11.0552","0.001","12.062","0.0012","14.0743","0.0015","90","","97.116","0.003","90","","1862.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 N10 O2 Re6 S8 -","- C22 H32 N10 O2 Re6 S8 -","- C44 H64 N20 O4 Re12 S16 -","2","0.5","","Mironov, Yuri V.; Brylev, Konstantin A.; Smolentsev, Anton I.; Ermolaev, Andrey V.; Kitamura, N.; Fedorov, Vladimir E.","NEW MIXED-LIGAND CYANOHYDROXO OCTAHEDRAL CLUSTER COMPLEX trans-[Re6S8(CN)2(OH)4]4‒, ITS LUMINESCENCE PROPERTIES AND CHEMICAL REACTIVITY","RSC Adv.","2014","","","","","10.1039/C4RA10697K","","","0.71073","MoKα","","0.0342","0.0255","","","0.0667","0.0691","","","","","","1.084","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218697","13.5676","0.0013","13.5676","0.0013","13.5676","0.0013","90","","90","","90","","2497.5","0.4","120","2","120","2","","","","","","","","8","P m -3 m","-P 4 2 3","221","","","","- C2 H12 Cs2.67 K1.33 N2 O8 Re6 S8 -","- C2 Cs2.66667 K1.34 N2 O7.70667 Re6 S8 -","- C6 Cs8 K4.02 N6 O23.12 Re18 S24 -","3","0.0625","","Mironov, Yuri V.; Brylev, Konstantin A.; Smolentsev, Anton I.; Ermolaev, Andrey V.; Kitamura, N.; Fedorov, Vladimir E.","NEW MIXED-LIGAND CYANOHYDROXO OCTAHEDRAL CLUSTER COMPLEX trans-[Re6S8(CN)2(OH)4]4‒, ITS LUMINESCENCE PROPERTIES AND CHEMICAL REACTIVITY","RSC Adv.","2014","","","","","10.1039/C4RA10697K","","","0.71073","MoKα","","0.0544","0.0433","","","0.1214","0.1295","","","","","","1.097","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218698","8.5493","0.0006","9.323","0.0006","11.1684","0.0007","92.188","0.005","111.206","0.006","101.782","0.006","806.27","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C2 H32 Cu2 N10 O6 Re6 S8 -","- C2 H28 Cu2 N10 O6 Re6 S8 -","- C2 H28 Cu2 N10 O6 Re6 S8 -","1","0.5","","Mironov, Yuri V.; Brylev, Konstantin A.; Smolentsev, Anton I.; Ermolaev, Andrey V.; Kitamura, N.; Fedorov, Vladimir E.","NEW MIXED-LIGAND CYANOHYDROXO OCTAHEDRAL CLUSTER COMPLEX trans-[Re6S8(CN)2(OH)4]4‒, ITS LUMINESCENCE PROPERTIES AND CHEMICAL REACTIVITY","RSC Adv.","2014","","","","","10.1039/C4RA10697K","","","0.71073","MoKα","","0.0658","0.0455","","","0.1158","0.1207","","","","","","1","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218699","10.39","0.005","16.287","0.005","11.124","0.005","90","0.005","105.725","0.005","90","0.005","1812","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N4 O2 -","- C22 H16 N4 O2 -","- C88 H64 N16 O8 -","4","1","","Chattopadhyay, Pabitra; Mukherjee, Manjira; Sen, Buddhadeb; Pal, Siddhartha; Banerjee, Samya; Lohar, Somenath","A quinazoline derivative as quick-response red-shifted reporter for nanomolar Al3+ions and applicable to living cell staining","RSC Adv.","2014","","","","","10.1039/C4RA10836A","","","0.71073","MoKα","","0.1387","0.1016","","","0.3116","0.3523","","","","","","1.404","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218700","10.9104","0.0005","11.7223","0.001","12.8808","0.0009","112.582","0.007","103.862","0.005","95.539","0.005","1443.8","0.2","200","","200","","","","","","","","","3","P -1","-P 1","2","AMP011/230","","","- C44 H28 O -","- C44 H28 O -","- C88 H56 O2 -","2","1","","Koenig, Burkhard; Dobelmann, Lars; Parham, Amir; Buchholz, Herwig; Buesing, Arne","First Synthesis of Naphthalene Annulated Oxepins","RSC Adv.","2014","","","","","10.1039/C4RA10652K","","x-ray","1.5418","CuKα","","0.0461","0.0438","","","0.1605","0.1644","","","","","","1.426","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218701","8.4538","0.0003","13.4041","0.0004","11.2408","0.0004","90","","93.812","0.002","90","","1270.94","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 O -","- C20 H12 O -","- C80 H48 O4 -","4","1","","Koenig, Burkhard; Dobelmann, Lars; Parham, Amir; Buchholz, Herwig; Buesing, Arne","First Synthesis of Naphthalene Annulated Oxepins","RSC Adv.","2014","","","","","10.1039/C4RA10652K","","","0.71073","MoKα","","0.0532","0.0461","","","0.124","0.1305","","","","","","1.025","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218702","14.442","0.002","10.2549","0.0016","17.944","0.003","90","","112.5","0.002","90","","2455.2","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 O2 -","- C36 H24 O2 -","- C144 H96 O8 -","4","1","","Koenig, Burkhard; Dobelmann, Lars; Parham, Amir; Buchholz, Herwig; Buesing, Arne","First Synthesis of Naphthalene Annulated Oxepins","RSC Adv.","2014","","","","","10.1039/C4RA10652K","","","0.71073","MoKα","","0.0633","0.0382","","","0.0814","0.0941","","","","","","1.013","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218718","10.2361","0.0014","10.7356","0.0015","14.661","0.002","88.151","0.004","74.97","0.004","79.593","0.004","1530.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cl N3 O4 -","- C32 H28 Cl N3 O4 -","- C64 H56 Cl2 N6 O8 -","2","1","","Yan, Chao Guo; Zhu, Dan; Sun, Jing","One-pot synthesis of 6,11-dihydro-5H-indolizino[8,7-b]indoles via sequential formation of β-enamino ester, Michael addition and Pictet-Spengler reactions","RSC Adv.","2014","","","","","10.1039/C4RA10355F","","","0.71073","MoKα","","0.0883","0.0582","","","0.1639","0.178","","","","","","1.073","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218719","9.634","0.002","19.608","0.005","15.793","0.004","90","","105.544","0.007","90","","2874.2","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl N3 O5 -","- C32 H26 Cl N3 O5 -","- C128 H104 Cl4 N12 O20 -","4","1","","Yan, Chao Guo; Zhu, Dan; Sun, Jing","One-pot synthesis of 6,11-dihydro-5H-indolizino[8,7-b]indoles via sequential formation of β-enamino ester, Michael addition and Pictet-Spengler reactions","RSC Adv.","2014","","","","","10.1039/C4RA10355F","","","0.71073","MoKα","","0.1896","0.0641","","","0.135","0.1756","","","","","","0.995","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218720","7.4883","0.0008","14.9998","0.0015","15.5192","0.0016","61.259","0.003","89.624","0.003","87.591","0.003","1526.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 F N3 O5 -","- C26 H26 F N3 O5 -","- C52 H52 F2 N6 O10 -","2","1","","Yan, Chao Guo; Zhu, Dan; Sun, Jing","One-pot synthesis of 6,11-dihydro-5H-indolizino[8,7-b]indoles via sequential formation of β-enamino ester, Michael addition and Pictet-Spengler reactions","RSC Adv.","2014","","","","","10.1039/C4RA10355F","","","0.71073","MoKα","","0.0996","0.0677","","","0.2039","0.22","","","","","","1.093","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218721","7.7364","0.0012","14.951","0.002","14.954","0.002","118.534","0.004","92.439","0.005","90.153","0.004","1517.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H36 F N3 O6 -","- C31 H36 F N3 O6 -","- C62 H72 F2 N6 O12 -","2","1","","Yan, Chao Guo; Zhu, Dan; Sun, Jing","One-pot synthesis of 6,11-dihydro-5H-indolizino[8,7-b]indoles via sequential formation of β-enamino ester, Michael addition and Pictet-Spengler reactions","RSC Adv.","2014","","","","","10.1039/C4RA10355F","","","0.71073","MoKα","","0.1687","0.0791","","","0.1562","0.1935","","","","","","1.02","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218722","12.0614","0.0017","9.0234","0.0013","22.676","0.003","90","","91.047","0.002","90","","2467.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Cl N2 O4 -","- C28 H23 Cl N2 O4 -","- C112 H92 Cl4 N8 O16 -","4","1","","Yan, Chao Guo; Zhu, Dan; Sun, Jing","One-pot synthesis of 6,11-dihydro-5H-indolizino[8,7-b]indoles via sequential formation of β-enamino ester, Michael addition and Pictet-Spengler reactions","RSC Adv.","2014","","","","","10.1039/C4RA10355F","","","0.71073","MoKα","","0.0739","0.0453","","","0.117","0.1362","","","","","","1.021","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218723","14.6316","0.0016","9.0132","0.0009","21.8076","0.0019","90","","124.256","0.006","90","","2377","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 F N2 O4 -","- C28 H23 F N2 O4 -","- C112 H92 F4 N8 O16 -","4","1","","Yan, Chao Guo; Zhu, Dan; Sun, Jing","One-pot synthesis of 6,11-dihydro-5H-indolizino[8,7-b]indoles via sequential formation of β-enamino ester, Michael addition and Pictet-Spengler reactions","RSC Adv.","2014","","","","","10.1039/C4RA10355F","","","0.71073","MoKα","","0.1167","0.0857","","","0.2145","0.2251","","","","","","1.075","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218724","21.7935","0.0006","4.37356","0.00011","26.8772","0.0007","90","","94.408","0.007","90","","2554.23","0.12","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 F7 N3 -","- C14 H6 F7 N3 -","- C112 H48 F56 N24 -","8","2","","Biradar, Siddanagouda; Shigemitsu, Yasuhiro; Kubota, Yasuhiro; Funabiki, Kazumasa; Sato, Hiroyasu; Matsui, Masaki","Effects of the alkyl group in (dialkylamino)perfluorophenazines on the melting point and fluorescence properties","RSC Adv.","2014","4","103","59387","","10.1039/C4RA09342A","","","1.54187","CuKα","","","0.0542","","","","0.1728","","","","","","1.1","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218725","5.5096","0.0009","16.029","0.003","25.975","0.004","89.46","0.006","84.761","0.006","87.863","0.006","2282.7","0.7","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H74 F7 N3 -","- C48 H74 F7 N3 -","- C96 H148 F14 N6 -","2","1","","Biradar, Siddanagouda; Shigemitsu, Yasuhiro; Kubota, Yasuhiro; Funabiki, Kazumasa; Sato, Hiroyasu; Matsui, Masaki","Effects of the alkyl group in (dialkylamino)perfluorophenazines on the melting point and fluorescence properties","RSC Adv.","2014","4","103","59387","","10.1039/C4RA09342A","","","1.54187","CuKα","","","0.0939","","","","0.2985","","","","","","0.919","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218726","12.9043","0.0008","13.7369","0.0008","18.117","0.001","85.446","0.003","77.264","0.003","83.393","0.003","3106.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H33 Er N12 O18 -","- C16 H33 Er N12 O18 -","- C64 H132 Er4 N48 O72 -","4","2","","Chen, Wen-Bin; Li, Zhi-Xin; Ouyang, Zhi-Jian; Lin, Wen-Ning; Yang, Liu; Dong, Wen","Syntheses, Supramolecular Structures, Magnetic and Photochromic Properties of Six Lanthanide Complexes Based on 5-Azotetrazolyl Salicylic Acid Ligand","RSC Adv.","2014","","","","","10.1039/C4RA09951F","","","0.71073","MoKα","","0.0298","0.0249","","","0.0615","0.0634","","","","","","1.036","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218727","9.7064","0.0014","12.008","0.0017","12.7434","0.0018","110.523","0.006","94.782","0.007","105.108","0.007","1317.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 Er2 N24 O26 -","- C32 H46 Er2 N24 O26 -","- C32 H46 Er2 N24 O26 -","1","0.5","","Chen, Wen-Bin; Li, Zhi-Xin; Ouyang, Zhi-Jian; Lin, Wen-Ning; Yang, Liu; Dong, Wen","Syntheses, Supramolecular Structures, Magnetic and Photochromic Properties of Six Lanthanide Complexes Based on 5-Azotetrazolyl Salicylic Acid Ligand","RSC Adv.","2014","","","","","10.1039/C4RA09951F","","","0.71073","MoKα","","0.0244","0.022","","","0.0529","0.0539","","","","","","1.037","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218728","9.6936","0.0004","11.992","0.0004","12.8118","0.0004","110.378","0.003","94.93","0.004","104.916","0.003","1323.48","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 Ho2 N24 O26 -","- C32 H46 Ho2 N24 O26 -","- C32 H46 Ho2 N24 O26 -","1","0.5","","Chen, Wen-Bin; Li, Zhi-Xin; Ouyang, Zhi-Jian; Lin, Wen-Ning; Yang, Liu; Dong, Wen","Syntheses, Supramolecular Structures, Magnetic and Photochromic Properties of Six Lanthanide Complexes Based on 5-Azotetrazolyl Salicylic Acid Ligand","RSC Adv.","2014","","","","","10.1039/C4RA09951F","","","0.71073","MoKα","","0.0397","0.0337","","","0.1015","0.1058","","","","","","1.045","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218729","16.2248","0.0007","14.2682","0.0006","10.0232","0.0004","90","","105.746","0.002","90","","2233.28","0.16","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H17 N12 Nd O10 -","- C16 H17 N12 Nd O10 -","- C64 H68 N48 Nd4 O40 -","4","1","","Chen, Wen-Bin; Li, Zhi-Xin; Ouyang, Zhi-Jian; Lin, Wen-Ning; Yang, Liu; Dong, Wen","Syntheses, Supramolecular Structures, Magnetic and Photochromic Properties of Six Lanthanide Complexes Based on 5-Azotetrazolyl Salicylic Acid Ligand","RSC Adv.","2014","","","","","10.1039/C4RA09951F","","","0.71073","MoKα","","0.0405","0.0351","","","0.0774","0.0805","","","","","","1.039","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218730","16.3059","0.0018","14.2088","0.0016","10.024","0.0009","90","","105.473","0.006","90","","2238.3","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H17 Gd N12 O10 -","- C16 H17 Gd N12 O10 -","- C64 H68 Gd4 N48 O40 -","4","1","","Chen, Wen-Bin; Li, Zhi-Xin; Ouyang, Zhi-Jian; Lin, Wen-Ning; Yang, Liu; Dong, Wen","Syntheses, Supramolecular Structures, Magnetic and Photochromic Properties of Six Lanthanide Complexes Based on 5-Azotetrazolyl Salicylic Acid Ligand","RSC Adv.","2014","","","","","10.1039/C4RA09951F","","","0.71073","MoKα","","0.0292","0.0262","","","0.0619","0.0642","","","","","","1.068","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218731","10.8529","0.0013","6.9013","0.0009","27.181","0.003","90","","112.49","0.006","90","","1881","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H23 Dy N6 O13 -","- C8 H23 Dy N6 O13 -","- C32 H92 Dy4 N24 O52 -","4","1","","Chen, Wen-Bin; Li, Zhi-Xin; Ouyang, Zhi-Jian; Lin, Wen-Ning; Yang, Liu; Dong, Wen","Syntheses, Supramolecular Structures, Magnetic and Photochromic Properties of Six Lanthanide Complexes Based on 5-Azotetrazolyl Salicylic Acid Ligand","RSC Adv.","2014","","","","","10.1039/C4RA09951F","","","0.71073","MoKα","","0.0429","0.0318","","","0.0798","0.0944","","","","","","1.005","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218735","23.6808","0.0019","13.924","0.0012","10.909","0.0012","90","","91.602","0.001","90","","3595.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Co N4 O4 -","- C40 H34 Co N4 O4 -","- C160 H136 Co4 N16 O16 -","4","0.5","","Cui, Guang Hua; Van Hecke, Kristof; Yu, Baoyi; Wang, Xiaoxiao","Four cobalt(II) coordination polymers with diverse topologies derived from flexible bis(benzimidazole) and aromatic dicarboxylic acids：Syntheses, crystal structures and catalytic properties","RSC Adv.","2014","","","","","10.1039/C4RA08138B","","","0.71073","MoKα","","0.0715","0.0432","","","0.098","0.1117","","","","","","1.017","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218736","19.054","0.003","16.004","0.002","21.248","0.003","90","","100.471","0.002","90","","6371.5","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Co N5 O7.5 -","- C34 H30.5 Co N5 O6.5 -","- C272 H244 Co8 N40 O52 -","8","1","","Cui, Guang Hua; Van Hecke, Kristof; Yu, Baoyi; Wang, Xiaoxiao","Four cobalt(II) coordination polymers with diverse topologies derived from flexible bis(benzimidazole) and aromatic dicarboxylic acids：Syntheses, crystal structures and catalytic properties","RSC Adv.","2014","","","","","10.1039/C4RA08138B","","","0.71073","MoKα","","0.1196","0.0572","","","0.138","0.1656","","","","","","0.906","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218737","11.4409","0.0012","24.696","0.003","25.285","0.003","90","","90","","90","","7144.1","1.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H34 Co N4 O4 -","- C40 H34 Co N4 O4 -","- C320 H272 Co8 N32 O32 -","8","1","","Cui, Guang Hua; Van Hecke, Kristof; Yu, Baoyi; Wang, Xiaoxiao","Four cobalt(II) coordination polymers with diverse topologies derived from flexible bis(benzimidazole) and aromatic dicarboxylic acids：Syntheses, crystal structures and catalytic properties","RSC Adv.","2014","","","","","10.1039/C4RA08138B","","","0.71073","MoKα","","0.1349","0.0589","","","0.1667","0.2342","","","","","","0.883","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218738","10.5449","0.0011","9.9472","0.001","28.91","0.003","90","","94.899","0.001","90","","3021.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Co N4 O5 -","- C33 H30 Co N4 O5 -","- C132 H120 Co4 N16 O20 -","4","1","","Cui, Guang Hua; Van Hecke, Kristof; Yu, Baoyi; Wang, Xiaoxiao","Four cobalt(II) coordination polymers with diverse topologies derived from flexible bis(benzimidazole) and aromatic dicarboxylic acids：Syntheses, crystal structures and catalytic properties","RSC Adv.","2014","","","","","10.1039/C4RA08138B","","","0.71073","MoKα","","0.1226","0.0533","","","0.1055","0.1288","","","","","","0.997","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218739","9.8737","0.0002","11.0307","0.0002","14.8193","0.0003","81.38","0.001","78.718","0.001","72.211","0.001","1500.12","0.05","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","chlorido[5-(triphenylphosphoniomethyl)-salicylaldehyde 4-fluorobenzoylhydrazonato] copper(II) hydrate","","- C33 H26 Cl Cu F N2 O3 P -","- C33 H26 Cl Cu F N2 O3 P -","- C66 H52 Cl2 Cu2 F2 N4 O6 P2 -","2","1","","Chew, Shin Thung; Lo, Kong Mun; Sinniah, Saravana Kumar; Sim, Kae Shin; Tan, Kong Wai","SYNTHESIS, CHARACTERIZATION AND BIOLOGICAL EVALUATION OF CATIONIC HYDRAZONE COPPER COMPLEXES WITH DIVERSE DIIMINE CO-LIGANDS.","RSC Adv.","2014","","","","","10.1039/C4RA11716F","","","0.71073","MoKα","","0.0723","0.0465","","","0.117","0.137","","","","","","1.044","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218740","10.3225","0.0008","14.0607","0.0011","14.861","0.0011","107.746","0.001","98.812","0.001","91.665","0.001","2023.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(1,10-phenanthroline)[5-(triphenylphosphoniomethyl)-salicylaldehyde 4-fluorobenzoylhydrazonato] copper(II) monohydrate ethanol","","- C47 H39 Cl Cu F N4 O4 P -","- C47 H39 Cl Cu F N4 O4 P -","- C94 H78 Cl2 Cu2 F2 N8 O8 P2 -","2","1","","Chew, Shin Thung; Lo, Kong Mun; Sinniah, Saravana Kumar; Sim, Kae Shin; Tan, Kong Wai","SYNTHESIS, CHARACTERIZATION AND BIOLOGICAL EVALUATION OF CATIONIC HYDRAZONE COPPER COMPLEXES WITH DIVERSE DIIMINE CO-LIGANDS.","RSC Adv.","2014","","","","","10.1039/C4RA11716F","","","0.71073","MoKα","","0.0822","0.054","","","0.1347","0.1545","","","","","","1.043","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218741","10.7354","0.0004","13.2515","0.0005","14.9015","0.0006","80.534","0.003","69.109","0.003","81.43","0.003","1944.14","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(5,5'-dimethyl-2,2'-bipyridine)[N-5-(triphenylphosphoniomethyl)-salicylaldehyde 4-fluorobenzoylhydrazonato] copper(II) dihydrate","","- C45 H39 Cl Cu F N4 O4 P -","- C45 H39 Cl Cu F N4 O4 P -","- C90 H78 Cl2 Cu2 F2 N8 O8 P2 -","2","1","","Chew, Shin Thung; Lo, Kong Mun; Sinniah, Saravana Kumar; Sim, Kae Shin; Tan, Kong Wai","SYNTHESIS, CHARACTERIZATION AND BIOLOGICAL EVALUATION OF CATIONIC HYDRAZONE COPPER COMPLEXES WITH DIVERSE DIIMINE CO-LIGANDS.","RSC Adv.","2014","","","","","10.1039/C4RA11716F","","","0.71073","MoKα","","0.0677","0.0455","","","0.1273","0.1482","","","","","","1.061","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218751","14.837","0.0004","17.288","0.0005","16.748","0.0005","90","","93.66","0.001","90","","4287.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 La N11 O29 -","- C28 H36 La N11 O29 -","- C112 H144 La4 N44 O116 -","4","1","","Kumar, Rakesh; Obrai, Sangeeta; Kaur Jassal, Amanpreet; Hundal, Maninder Singh","Supramolecular architectures of N,N,N′,N′-tetrakis-(2-hydroxyethyl)ethylenediamine and tris(2-hydroxyethyl)amine with La(iii) picrate","RSC Adv.","2014","4","103","59248","","10.1039/C4RA05835F","","","0.71069","MoKα","","0.0683","0.0443","","","0.1047","0.1171","","","","","","1.072","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218752","11.481","0.003","27.028","0.008","14.742","0.004","90","","111.433","0.013","90","","4258","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 La N11 O29 -","- C30 H40 La N11 O29 -","- C120 H160 La4 N44 O116 -","4","0.5","","Kumar, Rakesh; Obrai, Sangeeta; Kaur Jassal, Amanpreet; Hundal, Maninder Singh","Supramolecular architectures of N,N,N′,N′-tetrakis-(2-hydroxyethyl)ethylenediamine and tris(2-hydroxyethyl)amine with La(iii) picrate","RSC Adv.","2014","4","103","59248","","10.1039/C4RA05835F","","","0.71069","MoKα","","0.0435","0.0313","","","0.0761","0.0839","","","","","","1.037","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218753","23.93","0.0005","8.455","0.0002","14.105","0.0003","90","","98.319","0.0009","90","","2823.81","0.11","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 N8 O18 -","- C22 H30 N8 O18 -","- C88 H120 N32 O72 -","4","0.5","","Kumar, Rakesh; Obrai, Sangeeta; Kaur Jassal, Amanpreet; Hundal, Maninder Singh","Supramolecular architectures of N,N,N′,N′-tetrakis-(2-hydroxyethyl)ethylenediamine and tris(2-hydroxyethyl)amine with La(iii) picrate","RSC Adv.","2014","4","103","59248","","10.1039/C4RA05835F","","","0.71069","MoKα","","0.0714","0.0554","","","0.1638","0.1789","","","","","","1.046","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218754","13.443","0.0004","8.389","0.0002","14.84","0.0004","90","","94.846","0.0014","90","","1667.57","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N4 O10 -","- C12 H18 N4 O10 -","- C48 H72 N16 O40 -","4","1","","Kumar, Rakesh; Obrai, Sangeeta; Kaur Jassal, Amanpreet; Hundal, Maninder Singh","Supramolecular architectures of N,N,N′,N′-tetrakis-(2-hydroxyethyl)ethylenediamine and tris(2-hydroxyethyl)amine with La(iii) picrate","RSC Adv.","2014","4","103","59248","","10.1039/C4RA05835F","","","0.71069","MoKα","","0.087","0.0527","","","0.1295","0.1499","","","","","","1.014","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218755","18.9914","0.0016","21.3495","0.0018","33.231","0.003","90","","103.963","0.001","90","","13076","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C445 H488 Cl20 Cu36 N48 O137.6 -","- C445 H488 Cl20 Cu36 N48 O137.6 -","- C445 H488 Cl20 Cu36 N48 O137.6 -","1","0.25","","You, Xiuli; Wei, Zhenhong; Wang, Hailong; li, dongping; Liu, Jian; Xu, Beibei; Liu, Xiaoming","Synthesis of two copper clusters and their catalysis towards the oxidation of benzene into phenol","RSC Adv.","2014","","","","","10.1039/C4RA12832J","","","0.71073","MoKα","","0.1035","0.053","","","0.1536","0.1868","","","","","","1.086","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218756","12.193","0.008","13.32","0.009","19.035","0.017","107.282","0.012","96.731","0.011","107.393","0.008","2744","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H118 Cl4 Cu6 N12 O29 -","- C88 H118 Cl4 Cu6 N12 O29 -","- C88 H118 Cl4 Cu6 N12 O29 -","1","0.5","","You, Xiuli; Wei, Zhenhong; Wang, Hailong; li, dongping; Liu, Jian; Xu, Beibei; Liu, Xiaoming","Synthesis of two copper clusters and their catalysis towards the oxidation of benzene into phenol","RSC Adv.","2014","","","","","10.1039/C4RA12832J","","","0.71073","MoKα","","0.103","0.0591","","","0.1549","0.1818","","","","","","1.034","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218762","8.7173","0.0006","19.4288","0.0017","9.6558","0.0008","90","","97.17","0.003","90","","1622.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Cd N O7 -","- C15 H18 Cd N O7 -","- C60 H72 Cd4 N4 O28 -","4","1","","Kang, Bei-Bei; Wei, Na; Han, Zhengbo","Three 3D Coordination Polymers Based on [1,1’:4’,1’’-terphenyl]-2’,4,4’’,5’-tetracarboxylate Demonstrating Magnetic Properties and Selective Sensing Al3+/Fe3+over Mixed Ions","RSC Adv.","2014","","","","","10.1039/C4RA10124C","","","0.71073","MoKα","","0.0767","0.0479","","","0.0782","0.0859","","","","","","1.001","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218763","18.7009","0.0015","7.2352","0.0005","12.5595","0.0009","90","","123.488","0.002","90","","1417.27","0.18","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C22 H10 Co2 O10 -","- C22 H14 Co2 O10 -","- C44 H28 Co4 O20 -","2","0.25","","Kang, Bei-Bei; Wei, Na; Han, Zhengbo","Three 3D Coordination Polymers Based on [1,1’:4’,1’’-terphenyl]-2’,4,4’’,5’-tetracarboxylate Demonstrating Magnetic Properties and Selective Sensing Al3+/Fe3+over Mixed Ions","RSC Adv.","2014","","","","","10.1039/C4RA10124C","","","0.71073","MoKα","","0.1234","0.0873","","","0.2331","0.2566","","","","","","1.094","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218764","12.6852","0.0011","14.7613","0.0015","16.003","0.0015","90","","98.21","0.003","90","","2965.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Mn2 N2 O11 -","- C30 H30 Mn2 N2 O11 -","- C120 H120 Mn8 N8 O44 -","4","1","","Kang, Bei-Bei; Wei, Na; Han, Zhengbo","Three 3D Coordination Polymers Based on [1,1’:4’,1’’-terphenyl]-2’,4,4’’,5’-tetracarboxylate Demonstrating Magnetic Properties and Selective Sensing Al3+/Fe3+over Mixed Ions","RSC Adv.","2014","","","","","10.1039/C4RA10124C","","","0.71073","MoKα","","0.1394","0.0503","","","0.0886","0.1136","","","","","","0.95","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218765","7.7983","0.0008","15.7822","0.0014","14.37","0.0013","90","","98.509","0.001","90","","1749.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O2 -","- C19 H20 N4 O2 -","- C76 H80 N16 O8 -","4","1","","Zhang, Juanjuan; Hu, Jun-Die; Cao, Cheng-Pao; Dou, Guo-Lan; Fu, Lei; Huang, Zhi-Bin; Shi, DaQing","Selective synthesis of polyfunctionalized hydroisoquinoline derivatives via three-component domino reaction","RSC Adv.","2014","","","","","10.1039/C4RA12560F","","","0.71073","MoKα","","0.1009","0.0578","","","0.0975","0.1226","","","","","","1.032","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218766","7.9219","0.0008","10.2365","0.0013","11.9557","0.0014","108.694","0.002","105.294","0.001","100.37","0.001","847.9","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C34 H36 N8 O6 -","2","1","","Zhang, Juanjuan; Hu, Jun-Die; Cao, Cheng-Pao; Dou, Guo-Lan; Fu, Lei; Huang, Zhi-Bin; Shi, DaQing","Selective synthesis of polyfunctionalized hydroisoquinoline derivatives via three-component domino reaction","RSC Adv.","2014","","","","","10.1039/C4RA12560F","","","0.71073","MoKα","","0.1167","0.0549","","","0.1125","0.1396","","","","","","0.969","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218767","22.6652","0.0013","22.263","0.0013","19.2193","0.0011","90","","92.319","0.002","90","","9690","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.75 H41.5 Cl7.5 Cu4 N8 O -","- C28 H40 Cl6 Cu4 N8 O -","- C224 H320 Cl48 Cu32 N64 O8 -","8","1","","Zhang, Guoqi; Yang, Chengxiong; Liu, E.; Li, Li; Golen, James A.; Rheingold, Arnold L.","Mild, green copper/4-dimethylaminopyridine catalysed aerobic oxidation of alcohols mediated by nitroxyl radicals in water","RSC Adv.","2014","","","","","10.1039/C4RA13929A","","","0.71073","MoKα","","0.0426","0.0286","","","0.0668","0.0707","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218768","8.282","0.005","9.501","0.005","9.604","0.005","106.753","0.005","100.835","0.005","100.556","0.005","687.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O2 -","- C13 H14 N6 O2 -","- C26 H28 N12 O4 -","2","1","","Rahiman, Kalilur; Arthi, P.; Reddy, Dastagiri; Sakthivel, Natarajan; arun, Y; Paramasivan Thirumalai, Perumal; haleel, azees; veena, V","DNA-binding, molecular docking and apoptotic inducing activity of nickel(II), copper(II) and zinc(II) complexes of pyridine-based tetrazolo[1,5-a]pyrimidine ligands","RSC Adv.","2014","","","","","10.1039/C4RA11197D","","","0.71073","MoKα","","0.0444","0.0399","","","0.1091","0.1141","","","","","","1.066","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218769","9.3144","0.0003","17.8682","0.0005","18.0638","0.0006","90","","90","","90","","3006.39","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N6 O3 -","- C13 H16 N6 O3 -","- C104 H128 N48 O24 -","8","1","","Rahiman, Kalilur; Arthi, P.; Reddy, Dastagiri; Sakthivel, Natarajan; arun, Y; Paramasivan Thirumalai, Perumal; haleel, azees; veena, V","DNA-binding, molecular docking and apoptotic inducing activity of nickel(II), copper(II) and zinc(II) complexes of pyridine-based tetrazolo[1,5-a]pyrimidine ligands","RSC Adv.","2014","","","","","10.1039/C4RA11197D","","","0.71073","MoKα","","0.0739","0.0468","","","0.1142","0.1298","","","","","","1.054","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218770","10.46","0.0004","13.507","0.0005","26.652","0.0009","90","","93.851","0.002","90","","3757","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H37 Cl2 N12 O6.5 Zn -","- C28 H28 Cl2 N12 O6.501 Zn -","- C112 H112 Cl8 N48 O26.004 Zn4 -","4","0.5","","Rahiman, Kalilur; Arthi, P.; Reddy, Dastagiri; Sakthivel, Natarajan; arun, Y; Paramasivan Thirumalai, Perumal; haleel, azees; veena, V","DNA-binding, molecular docking and apoptotic inducing activity of nickel(II), copper(II) and zinc(II) complexes of pyridine-based tetrazolo[1,5-a]pyrimidine ligands","RSC Adv.","2014","","","","","10.1039/C4RA11197D","","","0.71073","MoKα","","0.1965","0.0621","","","0.1518","0.1873","","","","","","0.971","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218778","10.3204","0.0003","10.7781","0.0002","22.4546","0.0007","90","","103.112","0.003","90","","2432.6","0.12","180","","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(7-benzyl-5-chloro-4-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N-methyl-2-nitrobenzenesulfonamide","","- C26 H20 Cl N5 O4 S -","- C26 H20 Cl N5 O4 S -","- C104 H80 Cl4 N20 O16 S4 -","4","1","","Sabat, Nazarii; Klečka, Martin; Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","Direct C‒H amination and C‒H chloroamination of 7-deazapurines","RSC Adv.","2014","4","107","62140","","10.1039/C4RA13143F","","x-ray","1.5418","CuKα","","0.0377","0.0346","","0.0397","0.0391","0.0391","","","","","","1.0325","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218779","8.0254","0.0002","8.5175","0.0002","16.5553","0.0004","76.069","0.002","76.692","0.002","76.024","0.002","1047.93","0.05","290","","290","","","","","","","","","5","P -1","-P 1","2","","N-(7-benzyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N-methyl-2-nitrobenzenesulfonamide","","- C21 H19 N5 O5 S -","- C21 H19 N5 O5 S -","- C42 H38 N10 O10 S2 -","2","1","","Sabat, Nazarii; Klečka, Martin; Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","Direct C‒H amination and C‒H chloroamination of 7-deazapurines","RSC Adv.","2014","4","107","62140","","10.1039/C4RA13143F","","x-ray","1.54184","CuKα","","0.0392","0.0361","","0.043","0.0419","0.0419","","","","","","0.8205","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218780","20.7725","0.0004","10.3703","0.0003","22.3779","0.0005","90","","104.039","0.002","90","","4676.6","0.2","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(7-benzyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N,4-dimethylbenzenesulfonamide","","- C27 H24 N4 O2 S -","- C27 H24 N4 O2 S -","- C216 H192 N32 O16 S8 -","8","1","","Sabat, Nazarii; Klečka, Martin; Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","Direct C‒H amination and C‒H chloroamination of 7-deazapurines","RSC Adv.","2014","4","107","62140","","10.1039/C4RA13143F","","x-ray","1.54184","CuKα","","0.0606","0.0431","","0.0555","0.0449","0.0449","","","","","","1.1094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218781","12.8359","0.0002","14.6425","0.0002","16.3039","0.0003","81.5862","0.0013","70.0238","0.0015","67.3666","0.0015","2657.76","0.08","180","","180","","","","","","","","","5","P -1","-P 1","2","","N-(7-benzyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-N-methyl-2-nitrobenzenesulfonamide","","- C26 H21 N5 O4 S -","- C26 H21 N5 O4 S -","- C104 H84 N20 O16 S4 -","4","2","","Sabat, Nazarii; Klečka, Martin; Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","Direct C‒H amination and C‒H chloroamination of 7-deazapurines","RSC Adv.","2014","4","107","62140","","10.1039/C4RA13143F","","x-ray","1.54184","CuKα","","0.0463","0.0438","","0.0404","0.0398","0.0395","","","","","","0.9677","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218782","8.4183","0.0014","12.2957","0.0019","9.3671","0.0016","90","","97.016","0.006","90","","962.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-benzyl-3-hydroxy-3-(2-hydroxy-4,5-dimethoxyphenyl)indolin-2-one","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C46 H42 N2 O10 -","2","1","","Kaur, Jasneet; Kumar, Akshay; Chimni, Swapandeep Singh","Cinchonidine thiourea catalyzed asymmetric addition of phenols to oxindole derivatives","RSC Adv.","2014","4","107","62367","","10.1039/C4RA09805F","","","0.71073","MoKα","","0.0379","0.0363","","","0.0951","0.0965","","","","","","1.02","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218783","10.8509","0.0005","11.166","0.0007","12.6776","0.0007","107.269","0.005","95.042","0.004","115.812","0.005","1277.63","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H40 Cu5 N4 O23 -","- C52 H34 Cu5 N4 O23 -","- C52 H34 Cu5 N4 O23 -","1","0.5","","Qiao, Jin-Zhong; Zhan, Mao-Sheng; Hu, Tuo-Ping","Syntheses, crystal structures, photoluminescent/magnetic properties of four new coordination polymers based on 2,3′,4,5′-biphenyltetracarboxylic acid","RSC Adv.","2014","4","107","62285","","10.1039/C4RA09505G","","","1.54184","CuKα","","0.0527","0.0416","","","0.1127","0.1219","","","","","","1.054","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218784","13.757","0.003","20.753","0.005","7.86","0.0019","90","","91.66","0.005","90","","2243.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cu2 O16 -","- C16 H17 Cu2 O16 -","- C64 H68 Cu8 O64 -","4","1","","Qiao, Jin-Zhong; Zhan, Mao-Sheng; Hu, Tuo-Ping","Syntheses, crystal structures, photoluminescent/magnetic properties of four new coordination polymers based on 2,3′,4,5′-biphenyltetracarboxylic acid","RSC Adv.","2014","4","107","62285","","10.1039/C4RA09505G","","","0.71073","MoKα","","0.085","0.0471","","","0.1037","0.1187","","","","","","0.995","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218785","7.373","0.0004","13.0724","0.0007","13.857","0.0008","100.721","0.005","101.817","0.005","98.064","0.005","1262.17","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 Co3 N4 O30 -","- C44 H48 Co3 N4 O30 -","- C44 H48 Co3 N4 O30 -","1","0.5","","Qiao, Jin-Zhong; Zhan, Mao-Sheng; Hu, Tuo-Ping","Syntheses, crystal structures, photoluminescent/magnetic properties of four new coordination polymers based on 2,3′,4,5′-biphenyltetracarboxylic acid","RSC Adv.","2014","4","107","62285","","10.1039/C4RA09505G","","","0.71073","MoKα","","0.0855","0.0626","","","0.1581","0.1779","","","","","","1.021","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218786","22.128","0.0009","14.5817","0.0004","28.083","0.0012","90","","116.316","0.005","90","","8122.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H41 N6 Ni2 O18 -","- C34 H39 N6 Ni2 O18 -","- C272 H312 N48 Ni16 O144 -","8","1","","Qiao, Jin-Zhong; Zhan, Mao-Sheng; Hu, Tuo-Ping","Syntheses, crystal structures, photoluminescent/magnetic properties of four new coordination polymers based on 2,3′,4,5′-biphenyltetracarboxylic acid","RSC Adv.","2014","4","107","62285","","10.1039/C4RA09505G","","","0.71","MoKα","","0.0836","0.0533","","","0.1277","0.1494","","","","","","1.042","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218787","7.05","0.003","21.06","0.009","13.409","0.007","90","","104.882","0.008","90","","1924.1","1.5","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Pt(bpy){NH=C(pz)NC(Me)=NH}]PF6","","- C16 H16 F6 N7 P Pt -","- C16 H16 F6 N7 P Pt -","- C64 H64 F24 N28 P4 Pt4 -","4","1","","Tanaka, Tomohiro; Nouchi, Rie; Nakao, Yoshihide; Arikawa, Yasuhiro; Umakoshi, Keisuke","Highly luminescent imidoylamidinato platinum(ii) complexes formed by the coupling of 1H-pyrazole-1-carboxamidine with nitriles used as reaction solvents","RSC Adv.","2014","4","107","62186","","10.1039/C4RA11744A","","","0.71075","MoKα","","","0.0326","","","","0.0749","","","","","","0.971","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218788","8.173","0.005","16.645","0.009","14.314","0.007","90","","105.822","0.009","90","","1873.5","1.8","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Pt(bpy){NH=C(pz)NC(Et)=NH}]BF4","","- C17 H18 B F4 N7 Pt -","- C17 H18 B F4 N7 Pt -","- C68 H72 B4 F16 N28 Pt4 -","4","1","","Tanaka, Tomohiro; Nouchi, Rie; Nakao, Yoshihide; Arikawa, Yasuhiro; Umakoshi, Keisuke","Highly luminescent imidoylamidinato platinum(ii) complexes formed by the coupling of 1H-pyrazole-1-carboxamidine with nitriles used as reaction solvents","RSC Adv.","2014","4","107","62186","","10.1039/C4RA11744A","","","0.71075","MoKα","","","0.0328","","","","0.0559","","","","","","1.041","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218789","7.5855","0.0015","13.848","0.003","20.627","0.004","90","","94.433","0.003","90","","2160.3","0.8","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Pt(bpy){NH=C(pz)NC(Ph)=NH}]BF4","","- C21 H18 B F4 N7 Pt -","- C21 H18 B F4 N7 Pt -","- C84 H72 B4 F16 N28 Pt4 -","4","1","","Tanaka, Tomohiro; Nouchi, Rie; Nakao, Yoshihide; Arikawa, Yasuhiro; Umakoshi, Keisuke","Highly luminescent imidoylamidinato platinum(ii) complexes formed by the coupling of 1H-pyrazole-1-carboxamidine with nitriles used as reaction solvents","RSC Adv.","2014","4","107","62186","","10.1039/C4RA11744A","","","0.71075","MoKα","","","0.0426","","","","0.0972","","","","","","1.128","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218790","7.6686","0.0018","21.278","0.005","13.326","0.004","90","","90.037","0.005","90","","2174.4","1","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Pt(bpy){NH=C(pz)NC(Ph)=NH}]BF4.H2O","","- C21 H20 B F4 N7 O Pt -","- C21 H18 B F4 N7 O Pt -","- C84 H72 B4 F16 N28 O4 Pt4 -","4","1","","Tanaka, Tomohiro; Nouchi, Rie; Nakao, Yoshihide; Arikawa, Yasuhiro; Umakoshi, Keisuke","Highly luminescent imidoylamidinato platinum(ii) complexes formed by the coupling of 1H-pyrazole-1-carboxamidine with nitriles used as reaction solvents","RSC Adv.","2014","4","107","62186","","10.1039/C4RA11744A","","","0.71075","MoKα","","","0.0322","","","","0.0692","","","","","","1.056","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218819","33.52","0.005","7.2362","0.001","15.699","0.002","90","","90","","90","","3807.9","0.9","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C184 H184 N8 O16 -","8","2","","Rao, Yin; Liu, Meilin; Wu, Lu; Yin, Guo-Dong","Catalyst-free one-pot domino reactions for selective synthesis of functionalized 2,8-oxazabicyclo[3.3.1]nonanes and 5H-indeno[1,2-b]pyridin-5-ones","RSC Adv.","2014","","","","","10.1039/C4RA13166E","","","0.71073","MoKα","","0.0753","0.0496","","","0.1132","0.1282","","","","","","1.024","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218820","7.12371","0.0001","11.92092","0.00016","38.3027","0.0006","90","","90","","90","","3252.71","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 N2 O6 -","- C38 H42 N2 O6 -","- C152 H168 N8 O24 -","4","1","","Zhou, Zhengzheng; Tong, Henry H. Y.; Li, Liang; Shek, Fanny L. Y.; Lv, Yang; Zheng, Ying","Synthesis, crystal structures and phase transformation of the new solid-state forms of tetrandrine","RSC Adv.","2014","4","107","62586","","10.1039/C4RA10457A","","","1.54178","CuKα","","0.0358","0.0323","","","0.0773","0.0797","","","","","","1.081","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218821","9.70383","0.0001","15.06419","0.00015","26.1648","0.0003","90","","90","","90","","3824.78","0.07","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 N4 O6 -","- C42 H48 N4 O6 -","- C168 H192 N16 O24 -","4","1","","Zhou, Zhengzheng; Tong, Henry H. Y.; Li, Liang; Shek, Fanny L. Y.; Lv, Yang; Zheng, Ying","Synthesis, crystal structures and phase transformation of the new solid-state forms of tetrandrine","RSC Adv.","2014","4","107","62586","","10.1039/C4RA10457A","","","1.54178","CuKα","","0.0358","0.0333","","","0.0844","0.0868","","","","","","1.048","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218822","18.7432","0.0005","9.9123","0.0003","19.341","0.0006","90","","93.296","0.003","90","","3587.39","0.18","100","10","100","10","","","","","","","","4","P 1","P 1","1","","","","- C82 H95 N4 O14 -","- C41 H47.5 N2 O7 -","- C82 H95 N4 O14 -","2","2","","Zhou, Zhengzheng; Tong, Henry H. Y.; Li, Liang; Shek, Fanny L. Y.; Lv, Yang; Zheng, Ying","Synthesis, crystal structures and phase transformation of the new solid-state forms of tetrandrine","RSC Adv.","2014","4","107","62586","","10.1039/C4RA10457A","","","1.54184","CuKα","","0.0498","0.0433","","","0.1105","0.1171","","","","","","1.033","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218823","23.1688","0.0016","8.5376","0.0004","20.5949","0.0012","90","","90","","90","","4073.8","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23 H22 F N O3 S -","- C23 H22 F N O3 S -","- C184 H176 F8 N8 O24 S8 -","8","1","","XUE, Jijun; Zhang, Jie; Shao, Jidong; Wang, Yongxiang; Li, Ying","One Pot Hydroamination/[4+3] Cycloaddition: Synthesis towards the Cyclohepta[b]indole Core of Silicine and Ervatamine","RSC Adv.","2014","","","","","10.1039/C4RA13249A","","","0.71073","MoKα","","0.1263","0.0734","","","0.1787","0.2196","","","","","","1.032","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218824","11.69","0.002","19.175","0.003","15.0116","0.0019","90","","123.788","0.009","90","","2796.6","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N5 O5 -","- C30 H27 N5 O5 -","- C120 H108 N20 O20 -","4","1","","Yan, Chao Guo; Yang, Fan; Zhang, Li-Juan","Four-component reaction of N-alkylimidazoles (N-alkylbenzimidazoles), but-2-ynedioate, N-alkylisatins and malononitrile","RSC Adv.","2014","","","","","10.1039/C4RA12278J","","","0.71073","MoKα","","0.1769","0.0828","","","0.2074","0.2568","","","","","","1.016","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218826","9.8164","0.0008","11.7401","0.001","14.2385","0.0013","80.988","0.004","87.927","0.004","73.376","0.004","1552.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H31 N5 O5 -","- C35 H31 N5 O5 -","- C70 H62 N10 O10 -","2","1","","Yan, Chao Guo; Yang, Fan; Zhang, Li-Juan","Four-component reaction of N-alkylimidazoles (N-alkylbenzimidazoles), but-2-ynedioate, N-alkylisatins and malononitrile","RSC Adv.","2014","","","","","10.1039/C4RA12278J","","","0.71073","MoKα","","0.1994","0.0695","","","0.1338","0.1709","","","","","","1.009","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218827","12.5511","0.0014","12.7332","0.0015","13.145","0.0016","67.466","0.003","68.269","0.003","68.708","0.003","1741.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H33 N5 O5 -","- C40 H33 N5 O5 -","- C80 H66 N10 O10 -","2","1","","Yan, Chao Guo; Yang, Fan; Zhang, Li-Juan","Four-component reaction of N-alkylimidazoles (N-alkylbenzimidazoles), but-2-ynedioate, N-alkylisatins and malononitrile","RSC Adv.","2014","","","","","10.1039/C4RA12278J","","","0.71073","MoKα","","0.121","0.063","","","0.1326","0.1576","","","","","","1.032","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218828","19.03","0.002","11.569","0.002","16.376","0.002","90","","102.619","0.003","90","","3518.2","0.8","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H32 Cl N5 O5 -","- C40 H32 Cl N5 O5 -","- C160 H128 Cl4 N20 O20 -","4","1","","Yan, Chao Guo; Yang, Fan; Zhang, Li-Juan","Four-component reaction of N-alkylimidazoles (N-alkylbenzimidazoles), but-2-ynedioate, N-alkylisatins and malononitrile","RSC Adv.","2014","","","","","10.1039/C4RA12278J","","","0.71073","MoKα","","0.091","0.0512","","","0.1061","0.1271","","","","","","1.008","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218829","18.2584","0.0003","5.6362","0.0001","12.3333","0.0002","90","","95.487","0.001","90","","1263.38","0.04","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","2-(1-(1H-Indol-3-yl)ethyl)phenol","","- C16 H16 N O1.5 -","- C16 H16 N O1.5 -","- C64 H64 N4 O6 -","4","1","","Fleischer, Ivana; Pospech, Jola","Brønsted Acid-Catalyzed Hydroarylation of Activated Olefins","RSC Adv.","2014","","","","","10.1039/C4RA13647K","","","1.54178","CuKα","","0.023","0.0229","","","0.0634","0.0635","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218830","21.0444","0.001","12.4275","0.0005","15.2824","0.0007","90","","114.665","0.002","90","","3632.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[2a]I2","","- C36 H36 I2 N8 O4 -","- C36 H36 I2 N8 O4 -","- C144 H144 I8 N32 O16 -","4","0.5","","Chen, Ying-Hsuan; Peng, Kai-En; Lee, Gene-Hsiang; Peng, Shie-Ming; Chiu, Ching-Wen","Symmetrical non-chelating poly-N-heterocyclic carbenes","RSC Adv.","2014","4","107","62789","","10.1039/C4RA12597E","","","0.71073","MoKα","","0.0659","0.0377","","","0.0802","0.0968","","","","","","1.076","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218831","9.0998","0.0003","24.2692","0.0007","11.5148","0.0004","90","","109.274","0.0013","90","","2400.45","0.14","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2a-(NiCpI)2","","- C44 H40 Cl6 I2 N6 Ni2 O4 -","- C44 H40 Cl6 I2 N6 Ni2 O4 -","- C88 H80 Cl12 I4 N12 Ni4 O8 -","2","0.5","","Chen, Ying-Hsuan; Peng, Kai-En; Lee, Gene-Hsiang; Peng, Shie-Ming; Chiu, Ching-Wen","Symmetrical non-chelating poly-N-heterocyclic carbenes","RSC Adv.","2014","4","107","62789","","10.1039/C4RA12597E","","","0.71073","MoKα","","0.169","0.1254","","","0.3282","0.347","","","","","","1.333","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218832","14.4332","0.001","8.5362","0.0006","15.4137","0.0011","90","","100.356","0.002","90","","1868.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[5]I","","- C19 H18 I N3 O2 -","- C19 H18 I N3 O2 -","- C76 H72 I4 N12 O8 -","4","1","","Chen, Ying-Hsuan; Peng, Kai-En; Lee, Gene-Hsiang; Peng, Shie-Ming; Chiu, Ching-Wen","Symmetrical non-chelating poly-N-heterocyclic carbenes","RSC Adv.","2014","4","107","62789","","10.1039/C4RA12597E","","","0.71073","MoKα","","0.0473","0.0396","","","0.0955","0.1068","","","","","","1.216","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218833","8.393","0.005","11.628","0.005","14.178","0.005","90.808","0.005","91.99","0.005","93.628","0.005","1379.9","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 N2 Zn0.5 -","- C34 H22 N2 Zn0.5 -","- C68 H44 N4 Zn -","2","1","","Garai, Antara; Kumar, Mohit; Sinha, Woormileela; Chatterjee, Sriparna; Purohit, Chandra Shekhar; Som, Tapobrata; Kar, Sanjib","Synthesis, electron transports, and charge storage properties of fullerene─zinc porphyrin hybrid nanodiscs","RSC Adv.","2014","","","","","10.1039/C4RA12774A","","","0.71073","MoKα","","0.1322","0.0967","","","0.2319","0.2467","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218834","7.46","0.003","9.046","0.004","9.952","0.004","83.312","0.005","72.451","0.008","87.187","0.008","635.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Ag Cl N3 -","- C13 H11 Ag Cl N3 -","- C26 H22 Ag2 Cl2 N6 -","2","1","","Dinda, Joydev; Nandy, Abhishek; Rana, Bidyut Kumar; Bertolasi, Valerio; Saha, Krishna Das; Bielawski, Christopher W.","Cytotoxicity of silver(i), gold(i) and gold(iii) complexes of a pyridine wingtip substituted annelated N-heterocyclic carbene","RSC Adv.","2014","4","105","60776","","10.1039/C4RA09591J","","","0.71073","MoKα","","0.0291","0.0275","","","0.0784","0.0796","","","","","","1.068","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7218835","11.394","0.013","29.49","0.04","9.154","0.01","90","","123.07","0.04","90","","2578","5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H27 Cl N3 Na Ni O8 -","- C24 H24 Cl N3 Na Ni O8 -","- C96 H96 Cl4 N12 Na4 Ni4 O32 -","4","1","","Nayek, Hari Pada; Mahato, Mamata; Dey, Dhritiman; Pal, Souvik; Saha, Sudeshna; Ghosh, Abhrajyoti; Harms, Klaus","Syntheses, Structures, Optical Properties and Biological activities of Bimetallic Complexes","RSC Adv.","2014","","","","","10.1039/C4RA11991F","","","0.71073","MoKα","","0.0458","0.0377","","","0.0886","0.0926","","","","","","1.034","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218836","11.307","0.0002","17.304","0.0002","11.837","0.0002","90","0.002","103.407","0.002","90","0.002","2252.87","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N8 O4 Zn2 -","- C22 H24 N8 O4 Zn2 -","- C88 H96 N32 O16 Zn8 -","4","1","","Nayek, Hari Pada; Mahato, Mamata; Dey, Dhritiman; Pal, Souvik; Saha, Sudeshna; Ghosh, Abhrajyoti; Harms, Klaus","Syntheses, Structures, Optical Properties and Biological activities of Bimetallic Complexes","RSC Adv.","2014","","","","","10.1039/C4RA11991F","","","0.71073","MoKα","","0.1033","0.0895","","","0.1856","0.191","","","","","","1.057","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218837","29.188","0.007","5.717","0.001","22.742","0.008","90","","120.89","0.02","90","","3256.6","1.6","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 O10 S2 -","- C12 H14 O10 S2 -","- C96 H112 O80 S16 -","8","1","","Li, Ya-Nan; Huo, Li-Hua; Yu, Yi-Zhe; Ge, Fa-Yuan; Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan","Influence of solvents and assembly on the supramolecular patterns and luminescent properties of organic salts comprising 4,4’-dihydroxybiphenyl-3,3’-disulfonate and triphenylmethanaminium","RSC Adv.","2014","","","","","10.1039/C4RA12338G","","","0.71073","MoKα","","0.0681","0.0521","","","0.1352","0.1518","","","","","","1.062","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218838","12.9215","0.0009","13.6231","0.0008","14.7007","0.0012","93.768","0.006","101.133","0.007","110.031","0.006","2361","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H52 N2 O12 S2 -","- C50 H52 N2 O12 S2 -","- C100 H104 N4 O24 S4 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Yu, Yi-Zhe; Ge, Fa-Yuan; Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan","Influence of solvents and assembly on the supramolecular patterns and luminescent properties of organic salts comprising 4,4’-dihydroxybiphenyl-3,3’-disulfonate and triphenylmethanaminium","RSC Adv.","2014","","","","","10.1039/C4RA12338G","","","0.71073","MoKα","","0.0916","0.0576","","","0.128","0.1475","","","","","","1.029","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218839","27.0976","0.0012","12.9962","0.0004","13.975","0.0008","90","","103.679","0.005","90","","4781.9","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 N2 O11 S2 -","- C50 H48 N2 O11 S2 -","- C200 H192 N8 O44 S8 -","4","0.5","","Li, Ya-Nan; Huo, Li-Hua; Yu, Yi-Zhe; Ge, Fa-Yuan; Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan","Influence of solvents and assembly on the supramolecular patterns and luminescent properties of organic salts comprising 4,4’-dihydroxybiphenyl-3,3’-disulfonate and triphenylmethanaminium","RSC Adv.","2014","","","","","10.1039/C4RA12338G","","","0.71073","MoKα","","0.1004","0.066","","","0.1652","0.1906","","","","","","1.027","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218840","13.0823","0.0009","13.6545","0.0008","14.8789","0.0007","98.884","0.005","94.355","0.005","110.469","0.006","2435.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H54 N2 O11 S2 -","- C52 H54 N2 O11 S2 -","- C104 H108 N4 O22 S4 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Yu, Yi-Zhe; Ge, Fa-Yuan; Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan","Influence of solvents and assembly on the supramolecular patterns and luminescent properties of organic salts comprising 4,4’-dihydroxybiphenyl-3,3’-disulfonate and triphenylmethanaminium","RSC Adv.","2014","","","","","10.1039/C4RA12338G","","","0.71073","MoKα","","0.0907","0.0573","","","0.1208","0.1382","","","","","","1.025","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218841","10.0429","0.0006","12.1542","0.0007","12.5456","0.0008","67.646","0.006","67.742","0.006","80.119","0.005","1310.07","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H60 N2 O12 S2 -","- C54 H60 N2 O12 S2 -","- C54 H60 N2 O12 S2 -","1","0.5","","Li, Ya-Nan; Huo, Li-Hua; Yu, Yi-Zhe; Ge, Fa-Yuan; Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan","Influence of solvents and assembly on the supramolecular patterns and luminescent properties of organic salts comprising 4,4’-dihydroxybiphenyl-3,3’-disulfonate and triphenylmethanaminium","RSC Adv.","2014","","","","","10.1039/C4RA12338G","","","0.71073","MoKα","","0.0945","0.058","","","0.1308","0.1549","","","","","","1.022","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218842","12.92","0.0007","13.9363","0.0006","13.9627","0.0006","87.493","0.004","85.351","0.004","63.093","0.005","2234.5","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H48 N2 O9 S2 -","- C51 H48 N2 O9 S2 -","- C102 H96 N4 O18 S4 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Yu, Yi-Zhe; Ge, Fa-Yuan; Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan","Influence of solvents and assembly on the supramolecular patterns and luminescent properties of organic salts comprising 4,4’-dihydroxybiphenyl-3,3’-disulfonate and triphenylmethanaminium","RSC Adv.","2014","","","","","10.1039/C4RA12338G","","","0.71073","MoKα","","0.1068","0.0625","","","0.1349","0.158","","","","","","1.036","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218843","9.6061","0.0019","12.081","0.002","12.588","0.003","68.92","0.03","72.3","0.03","82.3","0.03","1298.1","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H60 N2 O12 S2 -","- C54 H56 N2 O12 S2 -","- C54 H56 N2 O12 S2 -","1","0.5","","Li, Ya-Nan; Huo, Li-Hua; Yu, Yi-Zhe; Ge, Fa-Yuan; Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan","Influence of solvents and assembly on the supramolecular patterns and luminescent properties of organic salts comprising 4,4’-dihydroxybiphenyl-3,3’-disulfonate and triphenylmethanaminium","RSC Adv.","2014","","","","","10.1039/C4RA12338G","","","0.71073","MoKα","","0.103","0.0689","","","0.1805","0.2058","","","","","","1.061","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218844","25.2368","0.0015","7.9675","0.0004","28.3845","0.0016","90","","111.958","0.007","90","","5293.4","0.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 N2 O10 S2 -","- C56 H60 N2 O10 S2 -","- C224 H240 N8 O40 S8 -","4","0.5","","Li, Ya-Nan; Huo, Li-Hua; Yu, Yi-Zhe; Ge, Fa-Yuan; Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan","Influence of solvents and assembly on the supramolecular patterns and luminescent properties of organic salts comprising 4,4’-dihydroxybiphenyl-3,3’-disulfonate and triphenylmethanaminium","RSC Adv.","2014","","","","","10.1039/C4RA12338G","","","0.71073","MoKα","","0.1005","0.0688","","","0.1755","0.1983","","","","","","1.028","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218845","25.3691","0.0012","8.0242","0.0005","15.2135","0.0007","90","","119.171","0.003","90","","2704.2","0.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C58 H64 N2 O10 S2 -","- C58 H64 N2 O10 S2 -","- C116 H128 N4 O20 S4 -","2","0.5","","Li, Ya-Nan; Huo, Li-Hua; Yu, Yi-Zhe; Ge, Fa-Yuan; Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan","Influence of solvents and assembly on the supramolecular patterns and luminescent properties of organic salts comprising 4,4’-dihydroxybiphenyl-3,3’-disulfonate and triphenylmethanaminium","RSC Adv.","2014","","","","","10.1039/C4RA12338G","","","0.71073","MoKα","","0.1013","0.0805","","","0.2122","0.2352","","","","","","1.049","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218846","25.6094","0.0014","8.1885","0.0003","15.2041","0.0007","90","","118.79","0.004","90","","2794.2","0.2","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H68 N2 O10 S2 -","- C60 H68 N2 O10 S2 -","- C120 H136 N4 O20 S4 -","2","0.5","","Li, Ya-Nan; Huo, Li-Hua; Yu, Yi-Zhe; Ge, Fa-Yuan; Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan","Influence of solvents and assembly on the supramolecular patterns and luminescent properties of organic salts comprising 4,4’-dihydroxybiphenyl-3,3’-disulfonate and triphenylmethanaminium","RSC Adv.","2014","","","","","10.1039/C4RA12338G","","","0.71073","MoKα","","0.0861","0.0608","","","0.1504","0.1685","","","","","","1.022","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218847","9.0753","0.0008","13.0083","0.0009","13.1464","0.0012","63.421","0.008","75.925","0.008","72.752","0.007","1314.4","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H60 N2 O12 S2 -","- C58 H60 N2 O12 S2 -","- C58 H60 N2 O12 S2 -","1","0.5","","Li, Ya-Nan; Huo, Li-Hua; Yu, Yi-Zhe; Ge, Fa-Yuan; Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan","Influence of solvents and assembly on the supramolecular patterns and luminescent properties of organic salts comprising 4,4’-dihydroxybiphenyl-3,3’-disulfonate and triphenylmethanaminium","RSC Adv.","2014","","","","","10.1039/C4RA12338G","","","0.71073","MoKα","","0.0942","0.0663","","","0.1626","0.1848","","","","","","1.038","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218848","10.6098","0.001","12.0437","0.0009","12.3814","0.0008","64.981","0.007","78.038","0.007","66.971","0.008","1317.7","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 N4 O10 S2 -","- C56 H58 N4 O10 S2 -","- C56 H58 N4 O10 S2 -","1","0.5","","Li, Ya-Nan; Huo, Li-Hua; Yu, Yi-Zhe; Ge, Fa-Yuan; Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan","Influence of solvents and assembly on the supramolecular patterns and luminescent properties of organic salts comprising 4,4’-dihydroxybiphenyl-3,3’-disulfonate and triphenylmethanaminium","RSC Adv.","2014","","","","","10.1039/C4RA12338G","","","0.71073","MoKα","","0.0741","0.0522","","","0.1228","0.1372","","","","","","1.024","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218849","8.9446","0.0008","11.97","0.001","12.7475","0.0008","103.421","0.006","107.836","0.007","94.705","0.007","1246.36","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H56 N2 O10 S4 -","- C54 H56 N2 O10 S4 -","- C54 H56 N2 O10 S4 -","1","0.5","","Li, Ya-Nan; Huo, Li-Hua; Yu, Yi-Zhe; Ge, Fa-Yuan; Deng, Zhao-Peng; Zhu, Zhi-Biao; Gao, Shan","Influence of solvents and assembly on the supramolecular patterns and luminescent properties of organic salts comprising 4,4’-dihydroxybiphenyl-3,3’-disulfonate and triphenylmethanaminium","RSC Adv.","2014","","","","","10.1039/C4RA12338G","","","0.71073","MoKα","","0.0728","0.0538","","","0.1404","0.156","","","","","","1.035","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218850","13.026","0.003","25.015","0.005","16.358","0.004","90","","92.574","0.004","90","","5325","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H120 F18 N8 O10 -","- C96 H120 F18 N8 O10 -","- C192 H240 F36 N16 O20 -","2","0.5","","Chakraborty, Sourav; Dutta, Ranjan; Wong, Bryan M.; Ghosh, Pradyut","Anion directed conformational diversities of an arene based hexa-amide receptor and recognition of the [F4(H2O)6]4−cluster","RSC Adv.","2014","4","107","62689","","10.1039/C4RA10795K","","","0.71073","MoKα","","0.0891","0.0793","","","0.2323","0.2382","","","","","","1.037","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218851","18.729","0.003","31.942","0.003","26.316","0.003","90","","101.03","0.005","90","","15453","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H71 F19 N8 O10 -","- C75.63 H64 F17.37 N8 O9 -","- C605.04 H512 F138.96 N64 O72 -","8","1","","Chakraborty, Sourav; Dutta, Ranjan; Wong, Bryan M.; Ghosh, Pradyut","Anion directed conformational diversities of an arene based hexa-amide receptor and recognition of the [F4(H2O)6]4−cluster","RSC Adv.","2014","4","107","62689","","10.1039/C4RA10795K","","","0.71073","MoKα","","0.1225","0.0923","","","0.2731","0.3043","","","","","","1.207","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218852","19.984","0.002","21.583","0.002","31.956","0.003","90","","104.776","0.003","90","","13327","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H135 F20 N8 O17 -","- C104 H137 F20 N8 O17 -","- C416 H548 F80 N32 O68 -","4","1","","Chakraborty, Sourav; Dutta, Ranjan; Wong, Bryan M.; Ghosh, Pradyut","Anion directed conformational diversities of an arene based hexa-amide receptor and recognition of the [F4(H2O)6]4−cluster","RSC Adv.","2014","4","107","62689","","10.1039/C4RA10795K","","","0.71073","MoKα","","0.12","0.0999","","","0.2778","0.2919","","","","","","1.043","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218853","10.968","0.004","13.856","0.005","14.25","0.005","76.125","0.011","73.854","0.011","81.532","0.012","2011.9","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H66 F18 N6 O12 -","- C72 H66 F18 N6 O12 -","- C72 H66 F18 N6 O12 -","1","0.5","","Chakraborty, Sourav; Dutta, Ranjan; Wong, Bryan M.; Ghosh, Pradyut","Anion directed conformational diversities of an arene based hexa-amide receptor and recognition of the [F4(H2O)6]4−cluster","RSC Adv.","2014","4","107","62689","","10.1039/C4RA10795K","","","0.71073","MoKα","","0.0828","0.0604","","","0.1978","0.2209","","","","","","0.854","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218857","19.2952","0.0011","19.2068","0.0011","21.3926","0.0012","90","","90","","90","","7928.1","0.8","185","2","185","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H58 Mg N2 O3 -","- C46 H58 Mg N2 O3 -","- C368 H464 Mg8 N16 O24 -","8","1","","Gao, Bo; Zhao, dehai; Li, Xiang; Cui, Yuan; Duan, Ranlong; Pang, Xuan","Magnesium Complexes Bearing N, N-Bidentate Phenanthrene Derivatives for the Stereoselective Ring-Opening Polymerization of rac-Lactides","RSC Adv.","2014","","","","","10.1039/C4RA12548G","","","0.71073","MoKα","","0.0903","0.0711","","","0.1365","0.1451","","","","","","1.185","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7218858","22.5699","0.0014","9.4519","0.0007","26.97","0.0017","90","","104.307","0.003","90","","5575","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H41 F N3 O3.5 -","- C25 H41 F N3 O3.5 -","- C200 H328 F8 N24 O28 -","8","2","","Baruah, Jubaraj Bikash; Khakhlary, Prithiviraj","Selective interactions of 5-(hydroxyimino)quinolin-8-one with tetrabutylammonium fluoride and zinc(II) ions","RSC Adv.","2014","","","","","10.1039/C4RA13805H","","","0.71073","MoKα","","0.2106","0.0988","","","0.1827","0.2032","","","","","","1.359","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7218859","7.2755","0.0009","7.9392","0.0009","8.4103","0.0009","64.84","0.011","74.394","0.01","87.012","0.01","422.41","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 N4 O6 Zn -","- C18 H14 N4 O6 Zn -","- C18 H14 N4 O6 Zn -","1","0.5","","Baruah, Jubaraj Bikash; Khakhlary, Prithiviraj","Selective interactions of 5-(hydroxyimino)quinolin-8-one with tetrabutylammonium fluoride and zinc(II) ions","RSC Adv.","2014","","","","","10.1039/C4RA13805H","","","0.71073","MoKα","","0.0539","0.0417","","","0.0724","0.079","","","","","","0.924","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218860","12.154","0.002","7.8731","0.0012","13.359","0.002","90","","99.134","0.005","90","","1262.1","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ak_399","","- C24 H31 N3 O8 -","- C24 H31 N3 O8 -","- C48 H62 N6 O16 -","2","1","","Kayet, Anirban; Datta, Dhrubajyoti; Kumar, Ganesh; Ghosh, Anindya Sundar; Pathak, Tanmaya","Templating effect of 1,5-disubstituted 1,2,3-triazole-linked disaccharides on size, shape and antibacterial activity of silver nanoparticles","RSC Adv.","2014","4","108","63036","","10.1039/C4RA11769G","","","0.71073","MoKα","","0.0821","0.0419","","","0.0737","0.0865","","","","","","1.008","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218861","5.9472","0.0007","8.8261","0.0011","12.2179","0.0015","87.74","0.004","87.485","0.004","77.734","0.004","625.78","0.13","293","2","293","2","","","","","","","","4","P 1","P 1","1","","ak_685","","- C24 H31 N3 O8 -","- C24 H31 N3 O8 -","- C24 H31 N3 O8 -","1","1","","Kayet, Anirban; Datta, Dhrubajyoti; Kumar, Ganesh; Ghosh, Anindya Sundar; Pathak, Tanmaya","Templating effect of 1,5-disubstituted 1,2,3-triazole-linked disaccharides on size, shape and antibacterial activity of silver nanoparticles","RSC Adv.","2014","4","108","63036","","10.1039/C4RA11769G","","","0.71073","MoKα","","0.1251","0.0549","","","0.1002","0.1275","","","","","","0.937","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218872","16.4908","0.0005","6.9106","0.0003","18.7394","0.0006","90","","90","","90","","2135.57","0.13","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H26 N2 O S -","- C24 H26 N2 O S -","- C96 H104 N8 O4 S4 -","4","0.5","","Marco, A. Belén; Mayorga Burrezo, Paula; Mosteo, Laura; Franco, Santiago; Garin, Javier; Orduna, Jesús; Diosdado, Beatriz; Villacampa, Belén; López Navarrete, Juan T.; Casado, Juan; Andreu, Raquel","Polarization, second-order nonlinear optical properties and electrochromism in 4H-pyranylidene chromophores with a quinoid/aromatic thiophene ring bridge","RSC Adv.","2014","","","","","10.1039/C4RA12791A","","","0.71073","MoKα","","0.0699","0.0451","","","0.0865","0.0955","","","","","","1.084","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218873","9.1986","0.0013","6.8265","0.001","17.101","0.003","90","","105.222","0.016","90","","1036.2","0.3","150","1","150","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C22 H24 N2 O S -","- C22 H24 N2 O S -","- C44 H48 N4 O2 S2 -","2","0.5","","Marco, A. Belén; Mayorga Burrezo, Paula; Mosteo, Laura; Franco, Santiago; Garin, Javier; Orduna, Jesús; Diosdado, Beatriz; Villacampa, Belén; López Navarrete, Juan T.; Casado, Juan; Andreu, Raquel","Polarization, second-order nonlinear optical properties and electrochromism in 4H-pyranylidene chromophores with a quinoid/aromatic thiophene ring bridge","RSC Adv.","2014","","","","","10.1039/C4RA12791A","","","0.71073","MoKα","","0.1895","0.1046","","","0.2063","0.2475","","","","","","1.042","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218874","16.3414","0.0008","17.0145","0.0009","16.3578","0.0011","90","","118.819","0.003","90","","3984.8","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N6 O9 S -","- C42 H40 N6 O9 S -","- C168 H160 N24 O36 S4 -","4","0.5","","Chattopadhyay, Pabitra; Mukherjee, Manjira; Sen, Buddhadeb; Pal, Siddhartha; Banerjee, Samya; Lohar, Somenath; Zangrando, Ennio","A bio-attuned ratiometric hydrogen sulfate ion selective receptor in aqueous solvent: structural proof of the H-bonded adduct","RSC Adv.","2014","","","","","10.1039/C4RA10245B","","","0.71073","MoKα","","0.08","0.0558","","","0.1513","0.1726","","","","","","1.072","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218875","23.321","0.005","15.408","0.004","18.286","0.004","90","","98.309","0.004","90","","6502","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H70 Gd2 N2 O14 -","- C67 H70 Gd2 N2 O14 -","- C268 H280 Gd8 N8 O56 -","4","0.5","","Zhao, Shuna; Song, Xuezhi; Zhu, Min; Meng, Xing; Wu, Lanlan; Song, Shuyan; Wang, Cheng; Zhang, Hongjie","Highly thermostable lanthanide metal-organic frameworks exhibiting unique selectivity for nitro explosives","RSC Adv.","2014","","","","","10.1039/C4RA13773F","","","0.71073","MoKα","","0.0522","0.0343","","","0.0779","0.0873","","","","","","1.006","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218876","11.598","0.002","12.442","0.003","19.597","0.006","90","","122.44","0.02","90","","2386.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N3 O4 P -","- C25 H24 N3 O4 P -","- C100 H96 N12 O16 P4 -","4","1","","Yu, Chengbin; Zheng, Weiping; Zhan, Junchen; Sun, Yuchao; Miao, Zhiwei","Highly regio- and diastereoselective construction of spirocyclopenteneoxindole phosphonates through a phosphine-catalyzed [3 + 2] annulation reaction","RSC Adv.","2014","4","108","63246","","10.1039/C4RA12997K","","","0.71073","MoKα","","0.0812","0.053","","","0.1311","0.1498","","","","","","0.961","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218877","19.88","0.003","19.88","0.004","13.146","0.0015","90","","90","","90","","5195.5","1.4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","Octachloroporphyrin","2,3,7,8,12,13,17,18-Octachloro-5,10,15,20-tetraphenylporphyrin","","- C48 H30 Cl8 N6 O2 -","- C48 H30 Cl8 N6 O2 -","- C192 H120 Cl32 N24 O8 -","4","0.25","","Chaudhri, Nivedita; Sankar, Muniappan","Colorimetric “Naked eye” detection of CN-, F-, CH3COO- and H2PO4- ions by highly nonplanar electron deficient perhaloporphyrins","RSC Adv.","2014","","","","","10.1039/C4RA11368C","","","0.71073","MoKα","","0.1281","0.1132","","","0.3293","0.3457","","","","","","1.179","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218878","7.0615","0.0003","12.4388","0.0006","13.4851","0.0008","70.511","0.005","83.469","0.004","76.344","0.004","1084.26","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 Cu N2 O2 -","- C23 H28 Cu N2 O2 -","- C46 H56 Cu2 N4 O4 -","2","1","","Mondal, Biplab; Kalita, Aswini; Kumar, Vikash","C-nitrosation of a -diketiminate ligand in copper(II) complex","RSC Adv.","2014","","","","","10.1039/C4RA08281H","","","0.71073","MoKα","","0.0478","0.0402","","","0.1246","0.1357","","","","","","0.966","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218879","22.7589","0.0003","22.7589","0.0003","22.7589","0.0003","90","","90","","90","","11788.4","0.3","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C77 H99 Cu7 N7 O23 -","- C77 H99 Cu7 N7 O23 -","- C308 H396 Cu28 N28 O92 -","4","0.333333","","Mondal, Biplab; Kalita, Aswini; Kumar, Vikash","C-nitrosation of a -diketiminate ligand in copper(II) complex","RSC Adv.","2014","","","","","10.1039/C4RA08281H","","","0.71073","MoKα","","0.0648","0.0495","","","0.1303","0.139","","","","","","1.065","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218880","21.2119","0.0014","7.8518","0.0004","23.5414","0.0015","90","","95.42","0.006","90","","3903.3","0.4","296","2","296","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C168 H200 N24 O8 -","8","1","","Mondal, Biplab; Kalita, Aswini; Kumar, Vikash","C-nitrosation of a -diketiminate ligand in copper(II) complex","RSC Adv.","2014","","","","","10.1039/C4RA08281H","","","0.71073","MoKα","","0.0937","0.0584","","","0.1619","0.1977","","","","","","1.011","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218881","11.9671","0.0011","5.9986","0.0004","14.9357","0.0011","90","","102.578","0.008","90","","1046.44","0.15","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 Cu N2 O8 -","- C18 H22 Cu N2 O8 -","- C36 H44 Cu2 N4 O16 -","2","1","","Wojciechowska, Agnieszka; Gągor, Anna; Jezierska, Julia; Duczmal, Marek","Structural, spectroscopic and magnetic properties of a novel copper(ii)l-tyrosinato complex","RSC Adv.","2014","4","108","63150","","10.1039/C4RA10717A","","","0.71073","MoKα","","0.0822","0.0505","","","0.1203","0.1343","","","","","","0.931","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218882","11.904","0.004","15.824","0.005","14.504","0.005","90","","96.671","0.007","90","","2713.6","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N14 O15 -","- C16 H26 N14 O15 -","- C64 H104 N56 O60 -","4","1","","yang, zongwei; zeng, qun; zhou, Xiaoqing; Zhang, Qi; Nie, Fude; huang, hui; li, hongzhen","Cocrystal explosive hydrate of a powerful explosive, HNIW, with enhancing safety","RSC Adv.","2014","","","","","10.1039/C4RA12248H","","","0.71073","MoKα","","0.0612","0.0446","","","0.1181","0.1299","","","","","","1.044","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218895","18.4467","0.001","11.8386","0.0006","24.5461","0.0013","90","","92.112","0.005","90","","5356.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","LFZr(OBn)2","","- C60 H74 F2 N2 O4 Zr -","- C60 H74 F2 N2 O4 Zr -","- C240 H296 F8 N8 O16 Zr4 -","4","0.5","","Ou, Hsiu-Wei; Chiang, Michael, Y.; Vandavasi, Jaya Kishore; Lu, Wei-Yi; Chen, Yen-Jen; Tseng, Hsi-Ching; Lai, Yi-Chun; Chen, Hsuan-Ying","Comparative Study of Ring-Opening Polymerization of L-Lactide and ε-Caprolactone Using Zirconium Hexadentate Bis(aminophenolate) Complexes as Catalysts","RSC Adv.","2014","","","","","10.1039/C4RA13236J","","","0.71073","MoKα","","0.0849","0.07","","","0.1694","0.1757","","","","","","1.014","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218896","18.287","0.0005","11.7537","0.0004","24.496","0.0008","90","","92.017","0.003","90","","5261.9","0.3","112.8","0.2","112.8","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","LThZr(OBn)2","","- C28.08 H35.05 N O2 S Zr0.5 -","- C28.067 H35.047 N O2 S1.001 Zr0.5 -","- C224.536 H280.376 N8 O16 S8.008 Zr4 -","8","1","","Ou, Hsiu-Wei; Chiang, Michael, Y.; Vandavasi, Jaya Kishore; Lu, Wei-Yi; Chen, Yen-Jen; Tseng, Hsi-Ching; Lai, Yi-Chun; Chen, Hsuan-Ying","Comparative Study of Ring-Opening Polymerization of L-Lactide and ε-Caprolactone Using Zirconium Hexadentate Bis(aminophenolate) Complexes as Catalysts","RSC Adv.","2014","","","","","10.1039/C4RA13236J","","","0.7107","MoKα","","0.0514","0.0415","","","0.1022","0.1081","","","","","","1.008","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218897","18.3446","0.0004","11.8436","0.0003","24.6246","0.0006","90","","92.149","0.002","90","","5346.3","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","LBnZr(OBn)2","","- C60 H76 N2 O4 Zr -","- C60 H76 N2 O4 Zr -","- C240 H304 N8 O16 Zr4 -","4","0.5","","Ou, Hsiu-Wei; Chiang, Michael, Y.; Vandavasi, Jaya Kishore; Lu, Wei-Yi; Chen, Yen-Jen; Tseng, Hsi-Ching; Lai, Yi-Chun; Chen, Hsuan-Ying","Comparative Study of Ring-Opening Polymerization of L-Lactide and ε-Caprolactone Using Zirconium Hexadentate Bis(aminophenolate) Complexes as Catalysts","RSC Adv.","2014","","","","","10.1039/C4RA13236J","","","0.71073","MoKα","","0.0443","0.0337","","","0.0849","0.0881","","","","","","0.917","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218898","24.404","0.004","4.7162","0.0009","14.206","0.003","90","","90","","90","","1635","0.5","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H18 Br N O2 -","- C18 H18 Br N O2 -","- C72 H72 Br4 N4 O8 -","4","1","","Chen, Zhao; Wu, Di; Han, Xie; Nie, Yuting; Yin, Jun; Yu, Guang-Ao; Liu, Sheng Hua","1,8-Naphthalimide-based highly blue-emissive fluorophore induced by a bromine atom: reversible thermochromism and vapochromism characteristics","RSC Adv.","2014","4","109","63985","","10.1039/C4RA12091D","","","0.71073","MoKα","","0.0831","0.0404","","","0.0976","0.1118","","","","","","0.972","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218899","8.2418","0.0014","16.336","0.003","11.361","0.0019","90","","103.266","0.003","90","","1488.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Chen, Zhao; Wu, Di; Han, Xie; Nie, Yuting; Yin, Jun; Yu, Guang-Ao; Liu, Sheng Hua","1,8-Naphthalimide-based highly blue-emissive fluorophore induced by a bromine atom: reversible thermochromism and vapochromism characteristics","RSC Adv.","2014","4","109","63985","","10.1039/C4RA12091D","","","0.71073","MoKα","","0.0689","0.0569","","","0.1592","0.1744","","","","","","1.036","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218900","8.6255","0.0004","6.6197","0.0003","13.1658","0.0007","90","","90.297","0.004","90","","751.73","0.06","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Jiang, Neng; Li, Su-Yi; Xie, Sai-Sai; Yao, Hequan; Sun, Hongbin; Wang, Xiao-Bing; Kong, Ling-Yi","FeCl3and ether mediated direct intramolecular acylation of esters and their application in efficient preparation of xanthone and chromone derivatives","RSC Adv.","2014","4","109","63632","","10.1039/C4RA10174J","","","0.71073","MoKα","","0.0525","0.0396","","","0.1031","0.113","","","","","","1.035","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218901","4.8978","0.0014","13.654","0.005","14.129","0.005","90","","90","","90","","944.9","0.6","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 O2 -","- C13 H8 O2 -","- C52 H32 O8 -","4","1","","Jiang, Neng; Li, Su-Yi; Xie, Sai-Sai; Yao, Hequan; Sun, Hongbin; Wang, Xiao-Bing; Kong, Ling-Yi","FeCl3and ether mediated direct intramolecular acylation of esters and their application in efficient preparation of xanthone and chromone derivatives","RSC Adv.","2014","4","109","63632","","10.1039/C4RA10174J","","","1.54184","CuKα","","0.1625","0.11","","","0.1685","0.19","","","","","","1.002","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218902","13.5324","0.0008","7.0687","0.0004","25.6858","0.0017","90","","90","","90","","2457","0.3","290","2","290","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C128 H96 O24 -","8","1","","Jiang, Neng; Li, Su-Yi; Xie, Sai-Sai; Yao, Hequan; Sun, Hongbin; Wang, Xiao-Bing; Kong, Ling-Yi","FeCl3and ether mediated direct intramolecular acylation of esters and their application in efficient preparation of xanthone and chromone derivatives","RSC Adv.","2014","4","109","63632","","10.1039/C4RA10174J","","","0.71073","MoKα","","0.0736","0.0465","","","0.1021","0.1163","","","","","","1.028","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218938","17.948","0.003","7.2978","0.0013","21.108","0.004","90","","101.866","0.003","90","","2705.7","0.8","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 -","- C42 H26 -","- C168 H104 -","4","1","","Zhang, Guo-Feng; Aldred, Matthew; Chen, Ze-Qiang; Chen, Tao; Meng, Xiang-Gao; Zhu, Ming-Qiang","Efficient Green-Red Piezofluorochromism of Bisanthracene-Modified Dibenzofulvene","RSC Adv.","2014","","","","","10.1039/C4RA10067K","","","0.71073","MoKα","","0.0931","0.0472","","","0.1315","0.18","","","","","","1.046","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218939","12.5099","0.0018","13.0134","0.0019","14.188","0.002","90","","99.235","0.002","90","","2279.8","0.6","298","2","298","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 -","- C34 H22 -","- C136 H88 -","4","1","","Zhang, Guo-Feng; Aldred, Matthew; Chen, Ze-Qiang; Chen, Tao; Meng, Xiang-Gao; Zhu, Ming-Qiang","Efficient Green-Red Piezofluorochromism of Bisanthracene-Modified Dibenzofulvene","RSC Adv.","2014","","","","","10.1039/C4RA10067K","","","0.71073","MoKα","","0.0689","0.0477","","","0.132","0.1525","","","","","","1.019","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218940","9.4749","0.0003","11.6421","0.0003","17.1244","0.0005","90","","90","","90","","1888.95","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O6 -","- C22 H28 O6 -","- C88 H112 O24 -","4","1","","Wang, Wei-Guang; Tang, Jian-Wei; Shi, Yi-Ming; Du, Xue; Li, Xiao-Nian; Wu, Hai-Yan; Jiang, Hua-Yi; Li, Yan; Pu, Jian-Xin; Sun, Han-Dong","Laxiflorol A, the first example of 7,8:15,16-di-seco-15-nor-21-homo-ent-kauranoid from Isodon eriocalyx var. laxiflora","RSC Adv.","2014","","","","","10.1039/C4RA12704H","","","1.54178","CuKα","","0.0354","0.0354","","","0.0987","0.0988","","","","","","1.126","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218941","34.592","0.01","6.88","0.002","24.471","0.007","90","","102.024","0.006","90","","5696","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cl Mn N4 O3 -","- C32 H27 Cl Mn N4 O3 -","- C256 H216 Cl8 Mn8 N32 O24 -","8","1","","Liu, Dengfeng; Zhu, Luqun; Wu, Jing; Wu, Liying; Lü, Xingqiang","Ring-opening copolymerization of epoxides and anhydrides using manganese(III) asymmetrical Schiff base complexes as catalysts","RSC Adv.","2014","","","","","10.1039/C4RA08969C","","","0.71073","MoKα","","0.1736","0.0773","","","0.1777","0.259","","","","","","0.957","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218942","4.6051","0.001","13.887","0.003","33.216","0.007","90","","90","","90","","2124.2","0.8","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N6 O4 -","- C24 H20 N6 O4 -","- C96 H80 N24 O16 -","4","1","","Ma, Yong; Gu, Pei-Yang; Zhou, feng; Dong, Huilong; Li, Youyong; Xu, Qingfeng; Lu, Jian-Mei; Ma, Wanli","Different interaction between metal electrode and organic layer and their different electrical bistability performances","RSC Adv.","2014","","","","","10.1039/C4RA12893A","","","0.71075","MoKα","","0.0991","0.0681","","","0.1336","0.149","","","","","","1.102","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218943","11.4467","0.0003","15.3307","0.0006","17.6643","0.0006","83.794","0.003","87.765","0.002","86.541","0.003","3074.41","0.18","123.6","","123.6","","","","","","","","","8","P -1","-P 1","2","","","","- C70 H55 F6 N3 O7 P2 Ru S2 -","- C70 H55 F6 N3 O7 P2 Ru S2 -","- C140 H110 F12 N6 O14 P4 Ru2 S4 -","2","1","","Tomás-Mendivil, Eder; Menéndez-Rodríguez, Lucía; Francos, Javier; Crochet, Pascale; Cadierno, Victorio","Investigation of binap-based hydroxyphosphine arene‒ruthenium(ii) complexes as catalysts for nitrile hydration","RSC Adv.","2014","4","108","63466","","10.1039/C4RA12013B","","","0.71073","MoKα","","0.0717","0.0519","","","0.1203","0.1323","","","","","","1.035","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218944","12.0316","0.0008","13.971","0.001","15.7586","0.0011","73.219","0.001","80.012","0.004","74.696","0.002","2432.6","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C90 H94 Cu2 N10 O28 -","- C90 H94 Cu2 N10 O28 -","- C90 H94 Cu2 N10 O28 -","1","1","","Kaur, Gagandeep; Abramovich, Lihi A.; Gazit, Ehud; Verma, Sandeep","Ultrastructure of metallopeptide-based soft spherical morphologies","RSC Adv.","2014","4","110","64457","","10.1039/C4RA10532J","","","0.71073","MoKα","","0.122","0.0767","","","0.1859","0.2129","","","","","","1.043","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218945","23.365","0.003","12.746","0.0018","17.904","0.002","90","","101.513","0.004","90","","5224.7","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Cl N2 O9 Zn -","- C24 H28 Cl N2 O9 Zn -","- C192 H224 Cl8 N16 O72 Zn8 -","8","1","","Mandal, Haridas; Chakrabartty, Sukanta; Ray, Debashis","Isothiocyanato and azido coordination induced structural diversity in zinc(ii) complexes with Schiff base containing tetrahydrofuran group: synthesis, characterization, crystal structure and fluorescence study","RSC Adv.","2014","4","110","65044","","10.1039/C4RA11352G","","","0.71073","MoKα","","0.1209","0.0584","","","0.1555","0.2023","","","","","","1.037","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218946","6.8404","0.0008","21.759","0.002","9.8058","0.0011","90","","106.686","0.003","90","","1398","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N4 O4 S2 Zn2 -","- C26 H28 N4 O4 S2 Zn2 -","- C52 H56 N8 O8 S4 Zn4 -","2","0.5","","Mandal, Haridas; Chakrabartty, Sukanta; Ray, Debashis","Isothiocyanato and azido coordination induced structural diversity in zinc(ii) complexes with Schiff base containing tetrahydrofuran group: synthesis, characterization, crystal structure and fluorescence study","RSC Adv.","2014","4","110","65044","","10.1039/C4RA11352G","","","0.71073","MoKα","","0.0452","0.041","","","0.0928","0.0954","","","","","","1.138","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218947","11.6671","0.0008","10.8103","0.0007","12.2636","0.0009","90","","103.876","0.002","90","","1501.61","0.18","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H28 N14 O4 Zn3 -","- C24 H28 N14 O4 Zn3 -","- C48 H56 N28 O8 Zn6 -","2","0.5","","Mandal, Haridas; Chakrabartty, Sukanta; Ray, Debashis","Isothiocyanato and azido coordination induced structural diversity in zinc(ii) complexes with Schiff base containing tetrahydrofuran group: synthesis, characterization, crystal structure and fluorescence study","RSC Adv.","2014","4","110","65044","","10.1039/C4RA11352G","","","0.71073","MoKα","","0.0691","0.0579","","","0.1278","0.1356","","","","","","1.02","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218948","9.676","0.002","5.8938","0.0013","19.693","0.004","90","","94.577","0.003","90","","1119.5","0.4","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","3-[2-(1,3-dimethyl-benzimidazole-2-yl)-vinyl]-1-benzyl-indole iodide","","","- C26 H24 I N3 -","- C26 H24 I N3 -","- C52 H48 I2 N6 -","2","1","","Jia, Hongliang; Lv, Ying; Wang, Shu; Sun, Dan; Wang, Lanying","Synthesis, crystal structures, spectral properties of double N-alkylated dimethine cyanine dyes as well as their interaction with biomolecules and living cells","RSC Adv.","2014","","","","","10.1039/C4RA10741A","","","0.71073","MoKα","","0.0451","0.0413","","","0.1181","0.132","","","","","","0.99","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218949","12.386","0.0014","10.3493","0.0013","22.395","0.003","90","","100.695","0.002","90","","2820.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 I N2 O -","- C33 H33 I N2 O -","- C132 H132 I4 N8 O4 -","4","1","","Jia, Hongliang; Lv, Ying; Wang, Shu; Sun, Dan; Wang, Lanying","Synthesis, crystal structures, spectral properties of double N-alkylated dimethine cyanine dyes as well as their interaction with biomolecules and living cells","RSC Adv.","2014","","","","","10.1039/C4RA10741A","","","0.71073","MoKα","","0.0777","0.0512","","","0.1224","0.1333","","","","","","1.037","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218950","8.9151","0.0008","9.8682","0.0009","10.9205","0.0009","105.678","0.007","106.754","0.008","108.541","0.008","799.92","0.16","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cl2 N6 O4 -","- C12 H14 Cl2 N6 O4 -","- C24 H28 Cl4 N12 O8 -","2","1","","Sarkar, Amrita; Karmakar, Subhendu; Bhattacharyya, Sudipta; Purkait, Kallol; Mukherjee, Arindam","Nitric oxide release by N-(2-chloroethyl)-N-nitrosoureas: a rarely discussed mechanistic path towards their anticancer activity","RSC Adv.","2014","","","","","10.1039/C4RA11137K","","x-ray","0.71073","MoKα","","0.0495","0.0408","","","0.0882","0.094","","","","","","1.052","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218951","9.6007","0.0004","11.5481","0.0005","17.5905","0.0008","90","","92.476","0.004","90","","1948.44","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Gd2 N6 O16 -","- C36 H32 Gd2 N6 O16 -","- C72 H64 Gd4 N12 O32 -","2","0.5","","Lin, Wenbin; Lin, Xinping; Zhang, Qiongqiong; Chen, Jiahe; Kong, Xiang-Jian; Long, La-Sheng; Wang, Cheng","Gadolinium Nicotinate Clusters as Potential MRI Contrast Agents","RSC Adv.","2014","","","","","10.1039/C4RA07853E","","","0.71073","MoKα","","0.0361","0.0296","","","0.0581","0.0613","","","","","","1.022","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218952","15.9574","0.0008","19.0647","0.0011","18.6238","0.0008","90","","103.514","0.004","90","","5508.9","0.5","100.01","","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H88 Cl4 Gd8 N12 O64 -","- C72 H56 Cl4 Gd8 N12 O64 -","- C144 H112 Cl8 Gd16 N24 O128 -","2","0.5","","Lin, Wenbin; Lin, Xinping; Zhang, Qiongqiong; Chen, Jiahe; Kong, Xiang-Jian; Long, La-Sheng; Wang, Cheng","Gadolinium Nicotinate Clusters as Potential MRI Contrast Agents","RSC Adv.","2014","","","","","10.1039/C4RA07853E","","","0.71073","MoKα","","0.0774","0.048","","","0.1018","0.1214","","","","","","1.061","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218953","8.2626","0.0002","14.5639","0.0003","18.9918","0.0004","75.372","0.001","77.58","0.001","84.01","0.001","2156.53","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H44 N6 O6 Zn2 -","- C49 H44 N6 O6 Zn2 -","- C98 H88 N12 O12 Zn4 -","2","1","","Hens, Amar; Rajak, Kajal Krishna","Photophysical Property vs Medium: Mononuclear, Dinuclear and Trinuclear Zn(II) Complexes","RSC Adv.","2014","","","","","10.1039/C4RA13606C","","","0.71073","MoKα","","0.0749","0.0449","","","0.1206","0.1377","","","","","","1.066","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218954","24.9663","0.0009","20.6291","0.0007","16.9291","0.0006","90","","111.647","0.002","90","","8104.1","0.5","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H58 Cl2 N8 O12 Zn3 -","- C72 H58 Cl2 N8 O12 Zn3 -","- C288 H232 Cl8 N32 O48 Zn12 -","4","0.5","","Hens, Amar; Rajak, Kajal Krishna","Photophysical Property vs Medium: Mononuclear, Dinuclear and Trinuclear Zn(II) Complexes","RSC Adv.","2014","","","","","10.1039/C4RA13606C","","","0.71073","MoKα","","0.1094","0.0628","","","0.1641","0.1821","","","","","","1.006","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218955","9.6069","0.0001","10.2192","0.0001","17.6653","0.0002","90","","90","","90","","1734.29","0.03","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Shen, Yunheng; He, Yi-Ren; Shan, Lei; Yang, Xi; Wen, Bo; Ye, Ji; Yuan, Xing; Li, Hui-Liang; Xu, Xi-ke; Zhang, Weidong","Lanceolatins A-G, diterpenoids from Cephalotaxus lanceolata and their anti-inflammatory and anti-tumor activities","RSC Adv.","2014","","","","","10.1039/C4RA10665B","","","1.54178","CuKα","","0.0327","0.0323","","","0.0862","0.0866","","","","","","1.042","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218956","17.724","0.003","10.6818","0.0015","7.0003","0.001","90","","111.839","0.001","90","","1230.2","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H7 La N2 O7 -","- C12 H7 La N2 O7 -","- C48 H28 La4 N8 O28 -","4","1","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.0149","0.0143","","","0.0386","0.0392","","","","","","1.022","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218957","17.604","0.016","10.624","0.009","6.996","0.006","90","","111.663","0.008","90","","1216","1.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H7 Ce N2 O7 -","- C12 H7 Ce N2 O7 -","- C48 H28 Ce4 N8 O28 -","4","1","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.016","0.0149","","","0.0397","0.0402","","","","","","1.08","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218958","17.57","0.003","10.6061","0.0015","6.9846","0.001","90","","111.598","0.001","90","","1210.2","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H7 N2 O7 Pr -","- C12 H7 N2 O7 Pr -","- C48 H28 N8 O28 Pr4 -","4","1","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.0153","0.0148","","","0.0379","0.0382","","","","","","1.086","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218959","17.909","0.003","10.2645","0.0015","7.4561","0.0011","90","","96.957","0.001","90","","1360.5","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H9 Eu N2 O8 -","- C12 H9 Eu N2 O8 -","- C48 H36 Eu4 N8 O32 -","4","1","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.018","0.0171","","","0.0419","0.0425","","","","","","1.024","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218960","17.858","0.003","10.2355","0.0015","7.4678","0.0011","90","","96.909","0.002","90","","1355.1","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H9 Gd N2 O8 -","- C12 H9 Gd N2 O8 -","- C48 H36 Gd4 N8 O32 -","4","1","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.0188","0.0185","","","0.052","0.0533","","","","","","0.488","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218961","8.4886","0.0011","20.972","0.003","8.0409","0.001","90","","90","","90","","1431.5","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H9 N2 O8 Tb -","- C12 H9 N2 O8 Tb -","- C48 H36 N8 O32 Tb4 -","4","0.5","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.0211","0.0168","","","0.0397","0.042","","","","","","1.036","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218962","8.439","0.002","20.933","0.005","8.016","0.002","90","","90","","90","","1416.1","0.6","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H9 Dy N2 O8 -","- C12 H9 Dy N2 O8 -","- C48 H36 Dy4 N8 O32 -","4","0.5","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.0275","0.0179","","","0.0395","0.0438","","","","","","1.061","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218963","8.446","0.004","21.009","0.01","8.016","0.004","90","","90","","90","","1422.4","1.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H9 Ho N2 O8 -","- C12 H9 Ho N2 O8 -","- C48 H36 Ho4 N8 O32 -","4","0.5","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.0219","0.0196","","","0.0533","0.0555","","","","","","1.041","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218964","8.4022","0.0015","20.939","0.004","7.9883","0.0014","90","","90","","90","","1405.4","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H9 Er N2 O8 -","- C12 H9 Er N2 O8 -","- C48 H36 Er4 N8 O32 -","4","0.5","","Ji, Baoming; deng, dong sheng; Ma, Junying; Sun, Chaowei; Zhao, Bin","Two- and Three-Dimensional Lanthanide-Based Coordination Polymers Assembled by the Synergistic Effect of Various Lanthanide Radii and Flexibility of a New Binicotinate-Containing Ligand: in Situ Synthesis, Structures, and Properties","RSC Adv.","2014","","","","","10.1039/C4RA12714E","","","0.71073","MoKα","","0.0218","0.0147","","","0.0319","0.0349","","","","","","1.046","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218965","8.7072","0.0002","16.5203","0.0004","17.3249","0.0004","90","","90","","90","","2492.11","0.1","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 O7 -","- C28 H36 O7 -","- C112 H144 O28 -","4","1","","Zhang, Xufeng; Ren, Jie; Cheng, Xiangrong; Jin, Huizi; Zhang, Weidong","One new unusual sesterterpenoid and four new sesquiterpene dimers from Inula britannica","RSC Adv.","2014","","","","","10.1039/C4RA11171K","","","1.54178","CuKα","","0.0456","0.0442","","","0.1292","0.1305","","","","","","1.075","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218976","16.08","0.02","16.08","0.02","6.269","0.008","90","","90","","120","","1404","3","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C27 H27 N6 O4 P -","- C27 H27 N6 O4 P -","- C54 H54 N12 O8 P2 -","2","0.333333","","Yadav, Ashok; Ramamoorthy, Boomishankar","Concentration dependent ratiometric turn-on selective fluorescence detection of picric acid in aqueous and non-aqueous media","RSC Adv.","2014","","","","","10.1039/C4RA15207G","","","0.71073","MoKα","","0.1262","0.0863","","","0.2637","0.2874","","","","","","1.082","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218977","9.1564","0.0005","10.8019","0.0006","12.548","0.0006","72.798","0.001","69.284","0.001","67.728","0.001","1055.33","0.1","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Cl3 N4 S -","- C21 H15 Cl3 N4 S -","- C42 H30 Cl6 N8 S2 -","2","1","","Peng, Yu-Xin; Wang, Na; Dai, Yuan; Hu, Bin; Ma, Bin Bin; Huang, Wei","Simultaneous enhancement of fluorescence and solubility by N-alkylation and functionalization of 2-(2-thienyl)imidazo[4,5-f][1,10]-phenanthroline with heterocyclic bridges","RSC Adv.","2014","","","","","10.1039/C4RA12627K","","","0.71073","MoKα","","0.0679","0.0575","","","0.1502","0.1568","","","","","","1.102","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218978","9.7125","0.0019","9.9228","0.0019","11.205","0.002","114.272","0.002","109.02","0.003","97.147","0.003","887.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N4 S -","- C21 H18 N4 S -","- C42 H36 N8 S2 -","2","1","","Peng, Yu-Xin; Wang, Na; Dai, Yuan; Hu, Bin; Ma, Bin Bin; Huang, Wei","Simultaneous enhancement of fluorescence and solubility by N-alkylation and functionalization of 2-(2-thienyl)imidazo[4,5-f][1,10]-phenanthroline with heterocyclic bridges","RSC Adv.","2014","","","","","10.1039/C4RA12627K","","","0.71073","MoKα","","0.0503","0.0432","","","0.1313","0.1391","","","","","","1.035","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218979","9.276","0.003","10.41","0.003","13.153","0.004","107.382","0.005","104.667","0.005","97.372","0.005","1143.6","0.6","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br Cl3 N4 S -","- C22 H18 Br Cl3 N4 S -","- C44 H36 Br2 Cl6 N8 S2 -","2","1","","Peng, Yu-Xin; Wang, Na; Dai, Yuan; Hu, Bin; Ma, Bin Bin; Huang, Wei","Simultaneous enhancement of fluorescence and solubility by N-alkylation and functionalization of 2-(2-thienyl)imidazo[4,5-f][1,10]-phenanthroline with heterocyclic bridges","RSC Adv.","2014","","","","","10.1039/C4RA12627K","","","0.71073","MoKα","","0.071","0.0595","","","0.1526","0.1579","","","","","","1","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218980","16.294","0.0016","7.7687","0.0008","19.2718","0.0015","90","","116.931","0.006","90","","2174.9","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N5 O S -","- C26 H23 N5 O S -","- C104 H92 N20 O4 S4 -","4","1","","Peng, Yu-Xin; Wang, Na; Dai, Yuan; Hu, Bin; Ma, Bin Bin; Huang, Wei","Simultaneous enhancement of fluorescence and solubility by N-alkylation and functionalization of 2-(2-thienyl)imidazo[4,5-f][1,10]-phenanthroline with heterocyclic bridges","RSC Adv.","2014","","","","","10.1039/C4RA12627K","","","0.71073","MoKα","","0.089","0.0522","","","0.1161","0.1257","","","","","","0.85","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218981","13.859","0.007","14.839","0.007","15.848","0.008","74.914","0.01","84.666","0.009","87.572","0.01","3133","3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 Cl6 N8 O5 S2 -","- C64 H60 Cl6 N8 O5 S2 -","- C128 H120 Cl12 N16 O10 S4 -","2","1","","Peng, Yu-Xin; Wang, Na; Dai, Yuan; Hu, Bin; Ma, Bin Bin; Huang, Wei","Simultaneous enhancement of fluorescence and solubility by N-alkylation and functionalization of 2-(2-thienyl)imidazo[4,5-f][1,10]-phenanthroline with heterocyclic bridges","RSC Adv.","2014","","","","","10.1039/C4RA12627K","","","0.71073","MoKα","","0.1607","0.0756","","","0.2019","0.2283","","","","","","0.913","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218982","21.9934","0.0017","9.0584","0.0007","19.52","0.0015","90","","112.815","0.001","90","","3584.6","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cl3 N5 S -","- C40 H32 Cl3 N5 S -","- C160 H128 Cl12 N20 S4 -","4","1","","Peng, Yu-Xin; Wang, Na; Dai, Yuan; Hu, Bin; Ma, Bin Bin; Huang, Wei","Simultaneous enhancement of fluorescence and solubility by N-alkylation and functionalization of 2-(2-thienyl)imidazo[4,5-f][1,10]-phenanthroline with heterocyclic bridges","RSC Adv.","2014","","","","","10.1039/C4RA12627K","","","0.71073","MoKα","","0.1288","0.0706","","","0.1754","0.1989","","","","","","1.013","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218983","12.4041","0.0019","12.4543","0.0019","13.762","0.002","111.741","0.002","100.88","0.003","110.123","0.002","1728.1","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Cl3 N5 S -","- C40 H30 Cl3 N5 S -","- C80 H60 Cl6 N10 S2 -","2","1","","Peng, Yu-Xin; Wang, Na; Dai, Yuan; Hu, Bin; Ma, Bin Bin; Huang, Wei","Simultaneous enhancement of fluorescence and solubility by N-alkylation and functionalization of 2-(2-thienyl)imidazo[4,5-f][1,10]-phenanthroline with heterocyclic bridges","RSC Adv.","2014","","","","","10.1039/C4RA12627K","","","0.71073","MoKα","","0.0764","0.0478","","","0.1475","0.1743","","","","","","1.09","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218984","13.596","0.004","8.61","0.003","19.25","0.006","90","","113.6","0.004","90","","2065","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N4 S2 -","- C25 H20 N4 S2 -","- C100 H80 N16 S8 -","4","1","","Peng, Yu-Xin; Wang, Na; Dai, Yuan; Hu, Bin; Ma, Bin Bin; Huang, Wei","Simultaneous enhancement of fluorescence and solubility by N-alkylation and functionalization of 2-(2-thienyl)imidazo[4,5-f][1,10]-phenanthroline with heterocyclic bridges","RSC Adv.","2014","","","","","10.1039/C4RA12627K","","","0.71073","MoKα","","0.1086","0.0617","","","0.1551","0.1749","","","","","","0.961","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218985","9.3385","0.0013","12.1614","0.0018","12.8481","0.0019","71.99","0.003","85.936","0.003","71.519","0.003","1315.5","0.3","293","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Cl3 N4 S2 -","- C26 H21 Cl3 N4 S2 -","- C52 H42 Cl6 N8 S4 -","2","1","","Peng, Yu-Xin; Wang, Na; Dai, Yuan; Hu, Bin; Ma, Bin Bin; Huang, Wei","Simultaneous enhancement of fluorescence and solubility by N-alkylation and functionalization of 2-(2-thienyl)imidazo[4,5-f][1,10]-phenanthroline with heterocyclic bridges","RSC Adv.","2014","","","","","10.1039/C4RA12627K","","","0.71073","MoKα","","0.1232","0.068","","","0.1652","0.1876","","","","","","0.962","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218986","5.2878","0.0014","33.975","0.009","14.927","0.004","90","","97.61","0.005","90","","2658.1","1.2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Cl3 N4 O S2 -","- C27 H21 Cl3 N4 O S2 -","- C108 H84 Cl12 N16 O4 S8 -","4","1","","Peng, Yu-Xin; Wang, Na; Dai, Yuan; Hu, Bin; Ma, Bin Bin; Huang, Wei","Simultaneous enhancement of fluorescence and solubility by N-alkylation and functionalization of 2-(2-thienyl)imidazo[4,5-f][1,10]-phenanthroline with heterocyclic bridges","RSC Adv.","2014","","","","","10.1039/C4RA12627K","","","0.71073","MoKα","","0.1198","0.0535","","","0.1192","0.1393","","","","","","0.972","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218987","13.7672","0.0019","8.3667","0.0012","19.124","0.003","90","","108.372","0.002","90","","2090.5","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N4 O2 S -","- C26 H20 N4 O2 S -","- C104 H80 N16 O8 S4 -","4","1","","Peng, Yu-Xin; Wang, Na; Dai, Yuan; Hu, Bin; Ma, Bin Bin; Huang, Wei","Simultaneous enhancement of fluorescence and solubility by N-alkylation and functionalization of 2-(2-thienyl)imidazo[4,5-f][1,10]-phenanthroline with heterocyclic bridges","RSC Adv.","2014","","","","","10.1039/C4RA12627K","","","0.71073","MoKα","","0.126","0.0876","","","0.2192","0.2429","","","","","","1.004","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218988","9.5995","0.0016","10.9578","0.0019","29.58","0.005","90","","93.35","0.002","90","","3106.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 Cl3 N4 S2 -","- C34 H25 Cl3 N4 S2 -","- C136 H100 Cl12 N16 S8 -","4","1","","Peng, Yu-Xin; Wang, Na; Dai, Yuan; Hu, Bin; Ma, Bin Bin; Huang, Wei","Simultaneous enhancement of fluorescence and solubility by N-alkylation and functionalization of 2-(2-thienyl)imidazo[4,5-f][1,10]-phenanthroline with heterocyclic bridges","RSC Adv.","2014","","","","","10.1039/C4RA12627K","","","0.71073","MoKα","","0.0722","0.048","","","0.1208","0.1309","","","","","","1.058","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218989","26.5772","0.0004","11.8718","0.0002","12.8742","0.0002","90","","90","","90","","4062.06","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26.5 H18 Cl N O3 -","- C26.5 H18 Cl N O3 -","- C212 H144 Cl8 N8 O24 -","8","2","","Chamas, Zein; Marchi, Enrico; Presson, Benjamin; Aubert, Emmanuel; Fort, Yves; Ceroni, Paola; Mamane, Victor","Synthesis and Solid-state Fluorescence Properties of Pentacyclic 7-Substituted-indeno[1’,2’:4,5]pyrido[2,1-a]isoindol-5-ones","RSC Adv.","2014","","","","","10.1039/C4RA12155D","","","1.5418","CuKα","","0.0356","0.0347","","","0.0952","0.0961","","","","","","1.04","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7218990","10.6552","0.0003","8.1691","0.0002","20.6721","0.0006","90","","104.472","0.003","90","","1742.28","0.09","110","2","109.95","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C100 H68 N4 O8 -","4","1","","Chamas, Zein; Marchi, Enrico; Presson, Benjamin; Aubert, Emmanuel; Fort, Yves; Ceroni, Paola; Mamane, Victor","Synthesis and Solid-state Fluorescence Properties of Pentacyclic 7-Substituted-indeno[1’,2’:4,5]pyrido[2,1-a]isoindol-5-ones","RSC Adv.","2014","","","","","10.1039/C4RA12155D","","","1.5418","CuKα","","0.0379","0.0361","","","0.0901","0.091","","","","","","1.037","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218991","8.3902","0.0004","9.4235","0.0005","10.5655","0.0005","68.634","0.005","86.055","0.004","83.059","0.004","771.97","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C42 H34 N2 O4 -","2","1","","Chamas, Zein; Marchi, Enrico; Presson, Benjamin; Aubert, Emmanuel; Fort, Yves; Ceroni, Paola; Mamane, Victor","Synthesis and Solid-state Fluorescence Properties of Pentacyclic 7-Substituted-indeno[1’,2’:4,5]pyrido[2,1-a]isoindol-5-ones","RSC Adv.","2014","","","","","10.1039/C4RA12155D","","","1.54184","CuKα","","0.0636","0.056","","","0.1628","0.1703","","","","","","1.043","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218992","12.919","0.004","9.577","0.003","17.878","0.006","90","","93.149","0.005","90","","2208.6","1.2","100","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","7-hexyl-7-monoaza[6]helicene","","","- C29 H26 N -","- C30 H26 N -","- C120 H104 N4 -","4","1","","Hua, Wanming; Liu, Zhi; Duan, Lian; Dong, Guifang; Qiu, Yong; Zhang, Baojie; Cui, Deliang; Tao, Xutang; Cheng, Na; Liu, Yongjun","Deep-blue electroluminescence from nondoped and doped organic light-emitting diodes (OLEDs) based on a new monoaza[6]helicene","RSC Adv.","2014","5","1","75","","10.1039/C4RA13486A","","","0.71073","MoKα","","0.1457","0.0834","","","0.2129","0.2466","","","","","","1.233","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218995","11.113","0.003","11.793","0.002","20.606","0.005","77.458","0.007","74.385","0.008","69.773","0.007","2417.3","1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H46 Cl2 N2 O0 P4 Ru -","- C53 H46 Cl2 N2 P4 Ru -","- C106 H92 Cl4 N4 P8 Ru2 -","2","1","","Sheng, Tianlu; Wang, Yong; Song, Jinshuai; Ma, Xiao; Xue, Zhenzhen; Hu, Shengmin; Fu, Ruibiao; Li, Chunsen; Wu, Xintao","Synthesis, Crystal Structure and MMCT of New Cyanide-bridged Complexes cis-MII(dppm)2(CN)2(FeIIIX3)2 (M = Ru，Os)","RSC Adv.","2014","","","","","10.1039/C4RA13825B","","","0.71073","MoKα","","0.0595","0.0479","","","0.1191","0.144","","","","","","0.969","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218996","11.028","0.004","11.737","0.004","20.245","0.006","91.838","0.003","105.346","0.004","109.564","0.002","2360","1.4","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H46 Cl2 F0 N2 O0 Os P4 -","- C53 H46 Cl2 N2 Os P4 -","- C106 H92 Cl4 N4 Os2 P8 -","2","1","","Sheng, Tianlu; Wang, Yong; Song, Jinshuai; Ma, Xiao; Xue, Zhenzhen; Hu, Shengmin; Fu, Ruibiao; Li, Chunsen; Wu, Xintao","Synthesis, Crystal Structure and MMCT of New Cyanide-bridged Complexes cis-MII(dppm)2(CN)2(FeIIIX3)2 (M = Ru，Os)","RSC Adv.","2014","","","","","10.1039/C4RA13825B","","","0.71073","MoKα","","0.0393","0.0387","","","0.1019","0.1028","","","","","","1.077","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218997","11.44","0.004","13.303","0.005","20.957","0.009","83.618","0.012","78.271","0.012","65.726","0.011","2845.3","1.9","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H52 Cl6 Fe2 N2 O P4 Ru -","- C55 H52 Cl6 Fe2 N2 O P4 Ru -","- C110 H104 Cl12 Fe4 N4 O2 P8 Ru2 -","2","1","","Sheng, Tianlu; Wang, Yong; Song, Jinshuai; Ma, Xiao; Xue, Zhenzhen; Hu, Shengmin; Fu, Ruibiao; Li, Chunsen; Wu, Xintao","Synthesis, Crystal Structure and MMCT of New Cyanide-bridged Complexes cis-MII(dppm)2(CN)2(FeIIIX3)2 (M = Ru，Os)","RSC Adv.","2014","","","","","10.1039/C4RA13825B","","","0.71073","MoKα","","0.0997","0.0868","","","0.247","0.2654","","","","","","1.047","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218998","11.701","0.003","13.478","0.004","21.08","0.008","83.673","0.013","77.949","0.013","65.687","0.009","2961.7","1.6","123","2","123","2","","","","","","","","9","P -1","-P 1","2","","","","- C54 H52 Br6 Cl0 Fe2 N2 O2 P4 Ru -","- C54 H52 Br6 Fe2 N2 O2 P4 Ru -","- C108 H104 Br12 Fe4 N4 O4 P8 Ru2 -","2","1","","Sheng, Tianlu; Wang, Yong; Song, Jinshuai; Ma, Xiao; Xue, Zhenzhen; Hu, Shengmin; Fu, Ruibiao; Li, Chunsen; Wu, Xintao","Synthesis, Crystal Structure and MMCT of New Cyanide-bridged Complexes cis-MII(dppm)2(CN)2(FeIIIX3)2 (M = Ru，Os)","RSC Adv.","2014","","","","","10.1039/C4RA13825B","","","0.71073","MoKα","","0.0897","0.0817","","","0.22","0.231","","","","","","1.062","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218999","11.4","0.003","13.291","0.004","21.017","0.006","83.848","0.011","77.91","0.01","65.448","0.008","2831.5","1.4","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H46 Cl8 Fe2 N2 O0 Os P4 -","- C53.004 H46 Cl8 Fe2 N2 Os P4 -","- C106.008 H92 Cl16 Fe4 N4 Os2 P8 -","2","1","","Sheng, Tianlu; Wang, Yong; Song, Jinshuai; Ma, Xiao; Xue, Zhenzhen; Hu, Shengmin; Fu, Ruibiao; Li, Chunsen; Wu, Xintao","Synthesis, Crystal Structure and MMCT of New Cyanide-bridged Complexes cis-MII(dppm)2(CN)2(FeIIIX3)2 (M = Ru，Os)","RSC Adv.","2014","","","","","10.1039/C4RA13825B","","","0.71073","MoKα","","0.0831","0.0714","","","0.2026","0.2316","","","","","","1.055","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7219000","11.695","0.002","13.44","0.003","20.777","0.005","82.415","0.009","81.139","0.008","65.16","0.006","2920","1.1","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H44 Br6 Fe2 N2 O0 Os P4 -","- C52 H44 Br6 Fe2 N2 Os P4 -","- C104 H88 Br12 Fe4 N4 Os2 P8 -","2","1","","Sheng, Tianlu; Wang, Yong; Song, Jinshuai; Ma, Xiao; Xue, Zhenzhen; Hu, Shengmin; Fu, Ruibiao; Li, Chunsen; Wu, Xintao","Synthesis, Crystal Structure and MMCT of New Cyanide-bridged Complexes cis-MII(dppm)2(CN)2(FeIIIX3)2 (M = Ru，Os)","RSC Adv.","2014","","","","","10.1039/C4RA13825B","","","0.71073","MoKα","","0.0939","0.0865","","","0.2256","0.2382","","","","","","1.045","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219001","28.1859","0.0001","28.1859","0.0001","23.7177","0.0002","90","","90","","90","","18842.4","0.18","119.8","0.5","119.8","0.5","","","","","","","","8","I 41/a :2","-I 4ad","88","","(η^5^-cyclopentadienyl)-bis[4-(tetrahydro-1,4-oxazino)methyl]phosphine- bis(triphenylphosphine)-ruthenium(II) tetrafluoroborate","","- C51 H56 B F4 N2 O2 P3 Ru -","- C51 H56 B F4 N2 O2 P3 Ru -","- C816 H896 B16 F64 N32 O32 P48 Ru16 -","16","1","","Płotek, Michał; Starosta, Radosław; Komarnicka, Urszula K.; Skórska-Stania, Agnieszka; Stochel, Grazyna; Kyzioł, Agnieszka; Jezowska-Bojczuk, Malgorzata","Unexpected formation of [Ru(η5-C5H5)(PH{CH2N(CH2CH2)2O}2)(PPh3)2]BF4 - the first „piano-stool” ruthenium complex bearing secondary aminomethylphosphane ligand","RSC Adv.","2014","","","","","10.1039/C4RA13037E","","","0.71073","MoKα","","0.0374","0.0287","","","0.067","0.0726","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219002","13.4537","0.0009","13.4537","0.0009","27.329","0.004","90","","90","","90","","4946.6","0.9","296","2","296","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C6 H4.36 N3.36 O3 Zn -","- C6 H4.361 N3.361 O3 Zn -","- C96 H69.776 N53.776 O48 Zn16 -","16","1","","Yun, Ruirui; Cui, Ranran; Qian, Fujun; Cao, Xiaoyan; luo, shizhong; Zheng, Baishu","Formation of a Metal-Organic Framework with High Gases Uptakes Based upon Amino-Decorated Polyhedral Cages","RSC Adv.","2014","","","","","10.1039/C4RA14607G","","","0.71073","MoKα","","0.0532","0.042","","","0.1469","0.1528","","","","","","1.088","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219003","11.874","0.008","13.373","0.009","13.817","0.01","87.199","0.012","69.838","0.011","65.002","0.011","1855","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H50 Mo12 N10 Ni O67.5 P8 -","- C10 H50 Mo12 N10 Ni O67.5 P8 -","- C10 H50 Mo12 N10 Ni O67.5 P8 -","1","0.5","","Dey, Chandan; Banerjee, Rahul; Kundu, Tanay; Aiyappa, Harshitha Barike","Phosphate Enriched Polyoxometalate Based Ionic Salts for Proton Conduction","RSC Adv.","2014","","","","","10.1039/C4RA07598F","","","0.71073","MoKα","","0.087","0.0587","","","0.1601","0.1719","","","","","","1.0128","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219004","14.559","0.006","23.664","0.009","23.421","0.009","90","","92.441","0.006","90","","8062","5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 Mo12 N2 Ni O67 P8 -","- C10 H18 Mo12 N2 Ni O67 P8 -","- C40 H72 Mo48 N8 Ni4 O268 P32 -","4","1","","Dey, Chandan; Banerjee, Rahul; Kundu, Tanay; Aiyappa, Harshitha Barike","Phosphate Enriched Polyoxometalate Based Ionic Salts for Proton Conduction","RSC Adv.","2014","","","","","10.1039/C4RA07598F","","","0.71073","MoKα","","0.0801","0.0657","","","0.1892","0.2004","","","","","","1.082","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219005","12.891","0.01","13.743","0.01","14.234","0.011","111.029","0.012","109.293","0.012","101.693","0.013","2069","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H28 Mo12 N4 Ni O70 P8 -","- C24 H28 Mo12 N4 Ni O70 P8 -","- C24 H28 Mo12 N4 Ni O70 P8 -","1","0.5","","Dey, Chandan; Banerjee, Rahul; Kundu, Tanay; Aiyappa, Harshitha Barike","Phosphate Enriched Polyoxometalate Based Ionic Salts for Proton Conduction","RSC Adv.","2014","","","","","10.1039/C4RA07598F","","","0.71073","MoKα","","0.0648","0.0508","","","0.1291","0.1371","","","","","","1.0091","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219012","8.3415","0.0003","9.3745","0.0004","13.544","0.0005","90","","90","","90","","1059.11","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H11 Co N Na O6 -","- C7 H11 Co N Na O6 -","- C28 H44 Co4 N4 Na4 O24 -","4","1","","Li, Qipeng; Jiang, Xiang; Du, Shaowu","Solvent-dependent assemblies, structure diversities and magnetic properties of two homochiral Co(ii)/Na(i) coordination polymers","RSC Adv.","2014","5","3","1785","","10.1039/C4RA09263E","","","0.71073","MoKα","","0.0289","0.028","","","0.0837","0.0844","","","","","","1.098","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219013","7.0082","0.0005","12.1505","0.0007","13.9281","0.0011","90","","90","","90","","1186.02","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 Co N Na O7 -","- C7 H14 Co N Na O7 -","- C28 H56 Co4 N4 Na4 O28 -","4","1","","Li, Qipeng; Jiang, Xiang; Du, Shaowu","Solvent-dependent assemblies, structure diversities and magnetic properties of two homochiral Co(ii)/Na(i) coordination polymers","RSC Adv.","2014","5","3","1785","","10.1039/C4RA09263E","","","0.71073","MoKα","","0.0315","0.031","","","0.0849","0.0853","","","","","","1.097","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219014","8.2731","0.0004","10.7452","0.0005","20.7803","0.001","90","","90","","90","","1847.29","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O S3 -","- C17 H20 N2 O S3 -","- C68 H80 N8 O4 S12 -","4","1","","Dai, Yanling; Xie, Chen; Wu, Lingmin; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Asymmetric synthesis of fluorinated amino-benzothiazol derivatives by additions of 2-lithiated benzothiazoles to (S)-N-t-butylsulfinyl-ketimines","RSC Adv.","2014","","","","","10.1039/C4RA15405C","","","0.71073","MoKα","","0.0325","0.0277","","","0.0821","0.0861","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219015","13.332","0.0008","13.332","0.0008","35.988","0.004","90","","90","","120","","5539.6","0.8","293","2","293","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- Co H24 K12 Mo12 O74 P8 -","- Co H24 K12 Mo12 O74 P8 -","- Co3 H72 K36 Mo36 O222 P24 -","3","0.0833333","","Zhang, He; Yu, Kai; Li, Jingshen; Wang, Chunmei; Lv, Jinghua; Chen, Zhaoyi; Cai, Honghong; Zhou, Baibin","The highest connected pure inorganic 3D framework assembled by {P4Mo6} cluster and alkali metal potassium","RSC Adv.","2014","","","","","10.1039/C4RA09388G","","","0.71073","MoKα","","0.0523","0.0498","","","0.0995","0.1097","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219016","9.5447","0.0004","14.8256","0.0005","15.3905","0.0006","90","","102.452","0.004","90","","2126.62","0.15","295.73","0.1","295.73","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methylthienopyrrole","","- C22 H23 N5 S2 -","- C22 H23 N5 S2 -","- C88 H92 N20 S8 -","4","1","","Ghosh, Sirina; Bedi, Anjan; Zade, Sanjio S.","Thienopyrrole and Selenophenopyrrole Donor Fused with Benzotriazole Acceptor: Microwave Assisted Synthesis and Electrochemical Polymerization","RSC Adv.","2014","","","","","10.1039/C4RA14850A","","x-ray","0.71073","MoKα","","0.086826","0.058301","","","","0.15656","","","","","","1.07558","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219017","9.5962","0.0004","14.5492","0.0005","15.4086","0.0006","90","","102.721","0.004","90","","2098.5","0.14","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methylselenopyrrole","","- C22 H23 N5 Se2 -","- C22 H23 N5 Se2 -","- C88 H92 N20 Se8 -","4","1","","Ghosh, Sirina; Bedi, Anjan; Zade, Sanjio S.","Thienopyrrole and Selenophenopyrrole Donor Fused with Benzotriazole Acceptor: Microwave Assisted Synthesis and Electrochemical Polymerization","RSC Adv.","2014","","","","","10.1039/C4RA14850A","","x-ray","0.71073","MoKα","","0.0598","0.0456","","","0.1143","0.1218","","","","","","1.065","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219018","7.3225","0.0002","15.3272","0.0005","21.4586","0.0006","90","","94.056","0.003","90","","2402.34","0.12","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","thienopyrrole","","- C24 H27 N5 O2 S2 -","- C24 H27 N5 O2 S2 -","- C96 H108 N20 O8 S8 -","4","1","","Ghosh, Sirina; Bedi, Anjan; Zade, Sanjio S.","Thienopyrrole and Selenophenopyrrole Donor Fused with Benzotriazole Acceptor: Microwave Assisted Synthesis and Electrochemical Polymerization","RSC Adv.","2014","","","","","10.1039/C4RA14850A","","x-ray","0.71073","MoKα","","0.0661","0.0471","","","0.0944","0.1058","","","","","","1.037","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219019","7.2332","0.0003","15.9927","0.0006","21.3756","0.0008","90","","95.932","0.003","90","","2459.45","0.17","100.03","0.1","100.03","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","selenopyrrole","","- C24 H27 N5 O2 Se2 -","- C24 H27 N5 O2 Se2 -","- C96 H108 N20 O8 Se8 -","4","1","","Ghosh, Sirina; Bedi, Anjan; Zade, Sanjio S.","Thienopyrrole and Selenophenopyrrole Donor Fused with Benzotriazole Acceptor: Microwave Assisted Synthesis and Electrochemical Polymerization","RSC Adv.","2014","","","","","10.1039/C4RA14850A","","x-ray","1.54184","CuKα","","0.0439","0.0418","","","0.106","0.1082","","","","","","1.104","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219030","11.7035","0.0007","12.7664","0.0009","21.1157","0.0014","90","","90","","90","","3154.9","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H44 O11 -","- C31 H44 O11 -","- C124 H176 O44 -","4","1","","Li, Lingzhi; Song, shao-jiang; gao, pinyi; Li, Feifei; Wang, Lihui; liu, Qingbo; Huang, Xiaoxiao; Li, Danqi; Sun, Yu","Neogenkwanines A‒H: Daphnane-Type Diterpenes Containing 4,7 or 4,6-Ether Group from the Flower Bud of Daphne genkwa","RSC Adv.","2014","","","","","10.1039/C4RA13167C","","","1.54178","CuKα","","0.0448","0.0429","","","0.1158","0.1181","","","","","","1.03","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219031","11.5661","0.0008","17.7172","0.0012","14.3741","0.001","90","","105.941","0.002","90","","2832.3","0.3","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N2 O3 -","- C32 H32 N2 O3 -","- C128 H128 N8 O12 -","4","1","","Chan, Wing-Hong; You, Qi-Hua; Lee, Yeeman; Mak, Nai-Ki; Lee, Albert W. M.; Hau, Sam Chunkit; Mak, Thomas C. W.","A colorimetric and ratiometric fluorescent pH probe based on ring opening/closing approach and its applications in monitoring cellular pH change","RSC Adv.","2014","","","","","10.1039/C4RA13445A","","","0.71073","MoKα","","0.0627","0.0425","","","0.0981","0.1038","","","","","","1.053","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219032","11.5355","0.0012","12.0272","0.0013","16.4726","0.0017","105.258","0.003","90.346","0.003","91.168","0.003","2204.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H44 Cl3 N3 O8 -","- C49 H44 Cl3 N3 O8 -","- C98 H88 Cl6 N6 O16 -","2","1","","Yan, Chao Guo; Sun, Jing; Shen, Guo-Liang","Construction of dispirocyclohexyl-3,3’-bisoxindole and dispirocyclopentyl-3,3’-bisoxindole via cycloaddition reactions of N-benzylbenzimidazolium salts with 2-(2-oxoindolin-3-ylidene)acetates†","RSC Adv.","2014","","","","","10.1039/C4RA13760D","","","0.71073","MoKα","","0.1009","0.0604","","","0.1465","0.1693","","","","","","1.031","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219033","10.74","0.003","12.889","0.003","15.381","0.004","68.745","0.003","87.06","0.003","70.391","0.003","1863.2","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H38 N2 O8 -","- C41 H38 N2 O8 -","- C82 H76 N4 O16 -","2","1","","Yan, Chao Guo; Sun, Jing; Shen, Guo-Liang","Construction of dispirocyclohexyl-3,3’-bisoxindole and dispirocyclopentyl-3,3’-bisoxindole via cycloaddition reactions of N-benzylbenzimidazolium salts with 2-(2-oxoindolin-3-ylidene)acetates†","RSC Adv.","2014","","","","","10.1039/C4RA13760D","","","0.71073","MoKα","","0.0933","0.0837","","","0.2365","0.2499","","","","","","1.03","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219034","10.8295","0.0016","12.8333","0.0019","15.121","0.002","85.481","0.002","76.954","0.002","75.004","0.002","1977.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 Cl2 N2 O8 -","- C41 H36 Cl2 N2 O8 -","- C82 H72 Cl4 N4 O16 -","2","1","","Yan, Chao Guo; Sun, Jing; Shen, Guo-Liang","Construction of dispirocyclohexyl-3,3’-bisoxindole and dispirocyclopentyl-3,3’-bisoxindole via cycloaddition reactions of N-benzylbenzimidazolium salts with 2-(2-oxoindolin-3-ylidene)acetates†","RSC Adv.","2014","","","","","10.1039/C4RA13760D","","","0.71073","MoKα","","0.1257","0.1064","","","0.289","0.3093","","","","","","1.184","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219035","10.5612","0.0011","12.8164","0.0013","15.0804","0.0016","85.716","0.003","77.587","0.003","76.529","0.003","1938","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 F2 N2 O8 -","- C42 H38 F2 N2 O8 -","- C84 H76 F4 N4 O16 -","2","1","","Yan, Chao Guo; Sun, Jing; Shen, Guo-Liang","Construction of dispirocyclohexyl-3,3’-bisoxindole and dispirocyclopentyl-3,3’-bisoxindole via cycloaddition reactions of N-benzylbenzimidazolium salts with 2-(2-oxoindolin-3-ylidene)acetates†","RSC Adv.","2014","","","","","10.1039/C4RA13760D","","","0.71073","MoKα","","0.1085","0.073","","","0.2154","0.2364","","","","","","1.098","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219036","9.5534","0.0002","25.7853","0.0005","12.6272","0.0003","90","","93.47","0.002","90","","3104.85","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 N8 O7 Os -","- C31 H22 N8 O7 Os -","- C124 H88 N32 O28 Os4 -","4","1","","Kumar, Anup; Chhatwal, Megha; Gupta, Rinkoo Devi; Awasthi, Satish Kumar","Chemically-driven “molecular logic circuit” based on osmium chromophore with resettable multiple readout","RSC Adv.","2014","","","","","10.1039/C4RA14269A","","","0.71073","MoKα","","0.0306","0.0298","","","0.0692","0.0697","","","","","","0.981","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219042","12.388","0.004","12.257","0.004","16.757","0.006","90","","102.776","0.006","90","","2481.4","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 Cl2 N2 Ru -","- C27 H32 Cl2 N2 Ru -","- C108 H128 Cl8 N8 Ru4 -","4","1","","Seayad, Abdul M.; Shan, Siah Pei; Xiaoke, Xie; Gnanaprakasam, Boopathy; Dang, Tuan T.; Ramalingam, Balamurugan; Huynh, Han Vinh","Benzimidazolin-2-ylidene N-heterocyclic Carbene complexes of Ruthenium as a Simple Catalyst for the N-alkylation of Amines using Alcohols and Diols","RSC Adv.","2014","","","","","10.1039/C4RA15398G","","","0.71073","MoKα","","0.0383","0.0311","","","0.0796","0.0833","","","","","","1.082","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219048","10.8851","0.0012","11.8615","0.001","13.9326","0.001","90","","90","","90","","1798.9","0.3","293","2","293","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C24 H16 Ag In N4 O8 -","- C24 H16 Ag In N4 O8 -","- C48 H32 Ag2 In2 N8 O16 -","2","0.25","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian","High and Selective Sorption of C2 Hydrocarbons in Heterometal-Organic Frameworks Built from Tetrahedral Units","RSC Adv.","2014","","","","","10.1039/C4RA13058H","","","0.71073","MoKα","","0.0694","0.0612","","","0.1564","0.1699","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219049","11.1032","0.0006","11.1032","0.0006","13.8084","0.0009","90","","90","","90","","1702.31","0.17","293","2","293","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C24 H4 Cu In N4 O8 -","- C24 H4 Cu In N4 O8 -","- C48 H8 Cu2 In2 N8 O16 -","2","0.125","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian","High and Selective Sorption of C2 Hydrocarbons in Heterometal-Organic Frameworks Built from Tetrahedral Units","RSC Adv.","2014","","","","","10.1039/C4RA13058H","","","0.71073","MoKα","","0.0429","0.0391","","","0.1207","0.1263","","","","","","1.199","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219050","12.2994","0.0016","13.4828","0.0018","13.6652","0.0017","60.652","0.013","80.763","0.011","83.718","0.011","1948.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 I O3 -","- C24 H16 I O3 -","- C96 H64 I4 O12 -","4","2","","Sikkandarkani, Akbar; Kannupal, Srinivasan","Iron(III) Halide or Iodine-Promoted Synthesis of 3-Haloindene Derivatives from o-Alkynylarene Chalcones","RSC Adv.","2014","","","","","10.1039/C4RA14935A","","","0.71073","MoKα","","0.225","0.0638","","","0.0997","0.172","","","","","","0.851","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219051","12.9555","0.0012","14.4344","0.0013","15.077","0.002","84.255","0.009","73.642","0.01","89.269","0.007","2691.4","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.29 H3.81 N0.13 O0.97 Pr0.06 -","- C3.29032 H3.80645 N0.129032 O0.967742 Pr0.0645161 -","- C102 H118 N4 O30 Pr2 -","31","15.5","","Zhang, Jian-Jun; Qi, Xiao-Xia; Ren, Ning; Xu, Su-Ling; Zong, Guang-Cai; Gao, Jie; geng, lina; Wang, Shu-Ping; Shi, Shikao","Lanthanide Complexes with 3, 4, 5-Triethoxybenzoic acid and 1,10-phenanthroline: Synthesis, Crystal structures, Thermal decomposition mechanism and Phase transformation kinetics","RSC Adv.","2014","","","","","10.1039/C4RA12063A","","","1.54178","CuKα","","0.2628","0.1423","","","0.3553","0.4404","","","","","","1.099","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219052","12.732","0.0011","14.348","0.0012","15.048","0.0014","83.485","0.001","75.328","0.002","89.45","0.002","2641.6","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H118 Eu2 N4 O30 -","- C102 H118 Eu2 N4 O30 -","- C102 H118 Eu2 N4 O30 -","1","0.5","","Zhang, Jian-Jun; Qi, Xiao-Xia; Ren, Ning; Xu, Su-Ling; Zong, Guang-Cai; Gao, Jie; geng, lina; Wang, Shu-Ping; Shi, Shikao","Lanthanide Complexes with 3, 4, 5-Triethoxybenzoic acid and 1,10-phenanthroline: Synthesis, Crystal structures, Thermal decomposition mechanism and Phase transformation kinetics","RSC Adv.","2014","","","","","10.1039/C4RA12063A","","","0.71073","MoKα","","0.1684","0.1005","","","0.2479","0.2903","","","","","","1.024","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219053","13.0256","0.0013","14.4709","0.0012","15.0513","0.0015","84.356","0.007","73.226","0.009","89.335","0.007","2702.7","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H118 La2 N4 O30 -","- C102 H118 La2 N4 O30 -","- C102 H118 La2 N4 O30 -","1","0.5","","Zhang, Jian-Jun; Qi, Xiao-Xia; Ren, Ning; Xu, Su-Ling; Zong, Guang-Cai; Gao, Jie; geng, lina; Wang, Shu-Ping; Shi, Shikao","Lanthanide Complexes with 3, 4, 5-Triethoxybenzoic acid and 1,10-phenanthroline: Synthesis, Crystal structures, Thermal decomposition mechanism and Phase transformation kinetics","RSC Adv.","2014","","","","","10.1039/C4RA12063A","","","1.54178","CuKα","","0.1797","0.1273","","","0.318","0.3739","","","","","","1.039","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219054","7.6501","0.0019","17.931","0.004","10.515","0.003","90","","107.674","0.004","90","","1374.3","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Wang, Qiu-Ya; zhang, zunting; zhang, xi; zhang, jin; kang, yang; peng, jufang","Synthesis of 1a,7a-dihydro-7a-phenyl-benzopyrano[2, 3-b]azirin-7- ones via photoisomerization reaction","RSC Adv.","2014","","","","","10.1039/C4RA12542H","","","0.71073","MoKα","","0.0652","0.0515","","","0.14","0.1489","","","","","","1.321","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219055","14.7809","0.0009","8.0602","0.0003","14.9746","0.0008","90","","116.158","0.007","90","","1601.31","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl N O5 -","- C18 H12 Cl N O5 -","- C72 H48 Cl4 N4 O20 -","4","1","","Samanta, Sampak; Singh, Shivendra; Srivastava, Anvita; Shaikh, Mobin M.","A remarkable solvent effect on the reaction of 4-hydroxycoumarin with (E)-3-aryl-2-nitroprop-2-enol: Facile synthesis of highly substituted furo/pyrano[3,2-c]chromenes","RSC Adv.","2014","","","","","10.1039/C4RA10610E","","","0.71073","MoKα","","0.0664","0.0579","","","0.1461","0.1517","","","","","","1.072","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219057","9.8954","0.0005","13.9545","0.0006","17.7018","0.0008","90","","96.711","0.001","90","","2427.61","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 Cl2 N5 Pd -","- C23 H35 Cl2 N5 Pd -","- C92 H140 Cl8 N20 Pd4 -","4","1","","Qi, Miao; Tan, Pei Zi; Xue, Fei; Malhi, Haripal Singh; Zhang, Zhong-Xing; Young, David J.; Hor, T. S. Andy","A supramolecular recyclable catalyst for aqueous Suzuki‒Miyaura coupling","RSC Adv.","2014","5","5","3590","","10.1039/C4RA13953D","","","0.71073","MoKα","","0.0369","0.0331","","","0.0773","0.0791","","","","","","1.084","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219058","12.181","0.002","26.728","0.005","7.4012","0.0015","90","","103.71","0.03","90","","2341","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Br N5 Pt S4 -","- C20 H11 Br N5 Pt S4 -","- C80 H44 Br4 N20 Pt4 S16 -","4","1","","Ren, XiaoMing; Sui, Yun-Xia; Chen, Tian-Yu; Ning, Wei-Hua","Investigation of structural and magnetic properties for two one-dimensional platinum-bis-dithiolene spin-Peierls-like transition salts","RSC Adv.","2014","","","","","10.1039/C4RA14505D","","","0.71073","MoKα","","0.066","0.0336","","","0.0349","0.0373","","","","","","1.067","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219059","12.22","0.003","26.555","0.006","7.345","0.0017","90","","103.734","0.004","90","","2315.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Cl N5 Pt S4 -","- C20 H11 Cl N5 Pt S4 -","- C80 H44 Cl4 N20 Pt4 S16 -","4","1","","Ren, XiaoMing; Sui, Yun-Xia; Chen, Tian-Yu; Ning, Wei-Hua","Investigation of structural and magnetic properties for two one-dimensional platinum-bis-dithiolene spin-Peierls-like transition salts","RSC Adv.","2014","","","","","10.1039/C4RA14505D","","","0.71073","MoKα","","0.1165","0.0657","","","0.1312","0.142","","","","","","1.025","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219060","12.242","0.0018","26.527","0.004","7.3442","0.001","90","","103.857","0.004","90","","2315.6","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H6 Cl D5 N5 Pt S4 -","- C20 H6 Cl D5 N5 Pt S4 -","- C80 H24 Cl4 D20 N20 Pt4 S16 -","4","1","","Ren, XiaoMing; Sui, Yun-Xia; Chen, Tian-Yu; Ning, Wei-Hua","Investigation of structural and magnetic properties for two one-dimensional platinum-bis-dithiolene spin-Peierls-like transition salts","RSC Adv.","2014","","","","","10.1039/C4RA14505D","","","0.71073","MoKα","","0.1396","0.0504","","","0.0757","0.0933","","","","","","0.973","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219061","12.2091","0.0018","26.616","0.004","7.412","0.0011","90","","103.893","0.004","90","","2338.1","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H6 Br D5 N5 Pt S4 -","- C20 H6 Br D5 N5 Pt S4 -","- C80 H24 Br4 D20 N20 Pt4 S16 -","4","1","","Ren, XiaoMing; Sui, Yun-Xia; Chen, Tian-Yu; Ning, Wei-Hua","Investigation of structural and magnetic properties for two one-dimensional platinum-bis-dithiolene spin-Peierls-like transition salts","RSC Adv.","2014","","","","","10.1039/C4RA14505D","","","0.71073","MoKα","","0.1278","0.0906","","","0.1861","0.1934","","","","","","1.233","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219062","4.7699","0.0003","7.0007","0.0005","17.3241","0.0013","99.217","0.004","94.411","0.004","95.138","0.004","566.28","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 O8 -","- C26 H20 N2 O8 -","- C26 H20 N2 O8 -","1","0.5","","Khan, Inayat Ali; Badshah, Amin; Altaf, Ataf Ali; Tahir, Muhammad Nawaz; haider, naghma; Nadeem, Muhammad","Acid base co‒crystal converted into porous carbon material for energy storage devices","RSC Adv.","2014","","","","","10.1039/C4RA13482F","","","0.71073","MoKα","","0.0968","0.0476","","","0.1096","0.1303","","","","","","0.933","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219063","10.3477","0.0002","15.2561","0.0002","18.035","0.0003","90","","90","","90","","2847.11","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 O6 -","- C31 H40 O6 -","- C124 H160 O24 -","4","1","","Li, Dongyan; Xue, Yongbo; Zhu, Hucheng; Li, Yan; Sun, Bin; Liu, Junjun; Yao, Guangmin; Zhang, Jinwen; Du, Guang; Zhang, Yonghui","Hyperattenins A‒I, Bioactive Polyprenylated Acylphloroglucinols from Hypericum attenuatum Choisy","RSC Adv.","2014","","","","","10.1039/C4RA11675E","","","1.54178","CuKα","","0.0422","0.041","","","0.1247","0.1265","","","","","","1.059","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219077","18.999","0.002","7.6609","0.0009","12.3984","0.0015","90","","113.417","0.002","90","","1655.9","0.3","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 S2 -","- C18 H18 N2 S2 -","- C72 H72 N8 S8 -","4","0.5","","Neuba, Adam; Ortmeyer, Jochen; Konieczna, Dagny Dagmara; Weigel, Gerwin; Flörke, Ulrich; Henkel, Gerald; Wilhelm, Rene","Synthesis of New Copper(I) Based Linear 1-D-Coordination Polymers with Neutral Imidazolinium-Dithiocarboxylate Ligands","RSC Adv.","2014","","","","","10.1039/C4RA09033K","","","0.71073","MoKα","","0.0352","0.031","","","0.0806","0.0835","","","","","","1.065","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219078","6.4888","0.0009","12.0393","0.0016","12.8648","0.0017","111.713","0.002","95.419","0.003","100.495","0.003","903.6","0.2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cl Cu N2 S2 -","- C18 H18 Cl Cu N2 S2 -","- C36 H36 Cl2 Cu2 N4 S4 -","2","1","","Neuba, Adam; Ortmeyer, Jochen; Konieczna, Dagny Dagmara; Weigel, Gerwin; Flörke, Ulrich; Henkel, Gerald; Wilhelm, Rene","Synthesis of New Copper(I) Based Linear 1-D-Coordination Polymers with Neutral Imidazolinium-Dithiocarboxylate Ligands","RSC Adv.","2014","","","","","10.1039/C4RA09033K","","","0.71073","MoKα","","0.0767","0.0405","","","0.0625","0.0715","","","","","","0.751","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219079","6.5715","0.0006","12.1048","0.0011","12.8077","0.0011","111.257","0.002","95.214","0.002","100.494","0.002","919.82","0.14","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Br Cu N2 S2 -","- C18 H18 Br Cu N2 S2 -","- C36 H36 Br2 Cu2 N4 S4 -","2","1","","Neuba, Adam; Ortmeyer, Jochen; Konieczna, Dagny Dagmara; Weigel, Gerwin; Flörke, Ulrich; Henkel, Gerald; Wilhelm, Rene","Synthesis of New Copper(I) Based Linear 1-D-Coordination Polymers with Neutral Imidazolinium-Dithiocarboxylate Ligands","RSC Adv.","2014","","","","","10.1039/C4RA09033K","","","0.71073","MoKα","","0.0239","0.022","","","0.0576","0.0585","","","","","","1.067","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219080","8.5312","0.0002","11.5963","0.0002","24.0459","0.0005","90","","90","","90","","2378.87","0.09","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 O2 -","- C28 H42 O2 -","- C112 H168 O8 -","4","1","","Han, Zhu-zhen; Ye, Ji; Liu, Qing-Xin; Shen, Yunheng; yue, rongcai; Li, Hui-Liang; Zhang, Weidong","Valeriadimers A-C, three sesquiterpenoid dimers from Valeriana officinalis var. latifolia","RSC Adv.","2014","","","","","10.1039/C4RA11439F","","","1.54178","CuKα","","0.0353","0.035","","","0.1078","0.1085","","","","","","1.086","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219081","9.0356","0.0002","14.7212","0.0004","20.2608","0.0005","90","","90","","90","","2694.99","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O6 -","- C30 H48 O6 -","- C120 H192 O24 -","4","1","","Han, Zhu-zhen; Ye, Ji; Liu, Qing-Xin; Shen, Yunheng; yue, rongcai; Li, Hui-Liang; Zhang, Weidong","Valeriadimers A-C, three sesquiterpenoid dimers from Valeriana officinalis var. latifolia","RSC Adv.","2014","","","","","10.1039/C4RA11439F","","","1.54178","CuKα","","0.027","0.0265","","","0.0711","0.0715","","","","","","1.027","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219114","5.642","0.0004","8.1176","0.0006","23.6684","0.0017","90","","90","","90","","1084","0.14","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 S2 -","- C12 H10 S2 -","- C48 H40 S8 -","4","1","","Das, Paramita; Ray, Suman; Bhaumik, Asim; Banerjee, Biplab; Mukhopadhyay, Chhanda","Cubic Ag2O nanoparticles incorporated mesoporous silica with large bottle-neck like mesopore for the aerobic oxidative synthesis of disulfide","RSC Adv.","2014","","","","","10.1039/C4RA14802A","","","0.71073","MoKα","","0.0373","0.0313","","","0.0954","0.1022","","","","","","0.799","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219115","7.625","0.002","7.802","0.002","20.002","0.005","87.587","0.003","88.794","0.003","83.332","0.003","1180.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Br2 N2 S2 -","- C26 H18 Br2 N2 S2 -","- C52 H36 Br4 N4 S4 -","2","1","","Das, Paramita; Ray, Suman; Bhaumik, Asim; Banerjee, Biplab; Mukhopadhyay, Chhanda","Cubic Ag2O nanoparticles incorporated mesoporous silica with large bottle-neck like mesopore for the aerobic oxidative synthesis of disulfide","RSC Adv.","2014","","","","","10.1039/C4RA14802A","","","0.71073","MoKα","","0.0811","0.0467","","","0.1286","0.1583","","","","","","0.714","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219139","33.0893","0.0004","12.9108","0.0002","22.2089","0.0003","90","","129.956","0.001","90","","7272.8","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H44 F18 In2 N4 O14 -","- C75 H44 F18 In2 N4 O14 -","- C300 H176 F72 In8 N16 O56 -","4","0.5","","Monge, Angeles; Gutierrez-Puebla, Enrique; Iglesias, Marta; Snejko, Natalia; Aguirre, Lina Maria","Advances in understanding the structure-catalyst activity relationship of green Indium MOFs catalysts in the solvent-free ketones cyanosilylation","RSC Adv.","2014","","","","","10.1039/C4RA13924K","","","1.54178","CuKα","","0.0422","0.0336","","","0.0888","0.0953","","","","","","0.995","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219140","32.6149","0.0005","12.4824","0.0002","21.424","0.0003","90","","129.055","0.001","90","","6773","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H44 F18 In2 N4 O14 -","- C71 H44 F18 In2 N4 O14 -","- C284 H176 F72 In8 N16 O56 -","4","0.5","","Monge, Angeles; Gutierrez-Puebla, Enrique; Iglesias, Marta; Snejko, Natalia; Aguirre, Lina Maria","Advances in understanding the structure-catalyst activity relationship of green Indium MOFs catalysts in the solvent-free ketones cyanosilylation","RSC Adv.","2014","","","","","10.1039/C4RA13924K","","","1.54178","CuKα","","0.0494","0.0382","","","0.0913","0.0969","","","","","","1.056","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219141","38.2784","0.0011","7.7778","0.0002","26.8178","0.0008","90","","129.831","0.001","90","","6131.4","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H32 F18 In2 N2 O12 -","- C61 H32 F18 In2 N2 O12 -","- C244 H128 F72 In8 N8 O48 -","4","0.5","","Monge, Angeles; Gutierrez-Puebla, Enrique; Iglesias, Marta; Snejko, Natalia; Aguirre, Lina Maria","Advances in understanding the structure-catalyst activity relationship of green Indium MOFs catalysts in the solvent-free ketones cyanosilylation","RSC Adv.","2014","","","","","10.1039/C4RA13924K","","","1.54178","CuKα","","0.0707","0.0484","","","0.1165","0.1308","","","","","","1.04","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219142","24.165","0.002","13.4565","0.0012","27.388","0.003","90","","111.227","0.006","90","","8301.7","1.4","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C78 H44 F24 In4 N2 O20.35 -","- C78 H44 F24 In4 N2 O20.35 -","- C312 H176 F96 In16 N8 O81.4 -","4","1","","Monge, Angeles; Gutierrez-Puebla, Enrique; Iglesias, Marta; Snejko, Natalia; Aguirre, Lina Maria","Advances in understanding the structure-catalyst activity relationship of green Indium MOFs catalysts in the solvent-free ketones cyanosilylation","RSC Adv.","2014","","","","","10.1039/C4RA13924K","","","1.54178","CuKα","","0.0927","0.0532","","","0.1049","0.121","","","","","","1.014","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219143","7.4484","0.0002","13.8881","0.0005","19.3487","0.0007","90","","98.318","0.001","90","","1980.45","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N5 O -","- C25 H17 N5 O -","- C100 H68 N20 O4 -","4","1","","gajulapali, pratap reddy; Poopathy, Vinayagam; Venkitasamy, KESAVAN","Enantioselective assembly of functionalized carbocyclic spirooxindoles using L-proline derived thiourea organocatalyst","RSC Adv.","2014","","","","","10.1039/C4RA13711F","","","0.71073","MoKα","","0.0786","0.0568","","","0.1395","0.1503","","","","","","1.085","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219161","7.615","0.006","9.543","0.007","10.259","0.008","83.045","0.012","77.14","0.011","81.412","0.012","715.7","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N2 S2 -","- C34 H32 N2 S2 -","- C34 H32 N2 S2 -","1","0.5","","Wen, Shuguang; Liu, Jie; Qiu, Meng; Li, Yonghai; Zhu, Dangqiang; Gu, Chuantao; Han, Liangliang; Yang, Renqiang","Synthesis and photophysical properties of amino-substituted benzodithiophene-based fluorophores","RSC Adv.","2014","5","8","5875","","10.1039/C4RA14186E","","","0.71073","MoKα","","0.0606","0.0445","","","0.1192","0.1279","","","","","","1.084","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219162","8.7336","0.0017","16.212","0.006","18.952","0.004","90","","92.3","0.03","90","","2681.2","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 N6 O2 Ti -","- C28 H30 N6 O2 Ti -","- C112 H120 N24 O8 Ti4 -","4","0.5","","Liu, Jinna; Cao, Yuhua; Li, Lei; Pei, Hao; Chen, Yanmei; Hu, Jinfa; Qin, Yaru; Li, Yahong; Li, Wu; Liu, Wei","Titanium complexes supported by imidazo[1,5-a]pyridine-containing pyrrolyl ligand as catalysts for hydroamination and polymerization reactions, and as antitumor reagent","RSC Adv.","2014","","","","","10.1039/C4RA14692A","","","0.71073","MoKα","","0.0578","0.0456","","","0.1289","0.1365","","","","","","1.076","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219163","23.01","0.009","13.712","0.005","21.228","0.009","90","","115.456","0.007","90","","6047","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N8 Ti -","- C30 H36 N8 Ti -","- C240 H288 N64 Ti8 -","8","2","","Liu, Jinna; Cao, Yuhua; Li, Lei; Pei, Hao; Chen, Yanmei; Hu, Jinfa; Qin, Yaru; Li, Yahong; Li, Wu; Liu, Wei","Titanium complexes supported by imidazo[1,5-a]pyridine-containing pyrrolyl ligand as catalysts for hydroamination and polymerization reactions, and as antitumor reagent","RSC Adv.","2014","","","","","10.1039/C4RA14692A","","","0.71073","MoKα","","0.129","0.0507","","","0.1111","0.1438","","","","","","0.95","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219164","10.7809","0.0008","16.0045","0.0012","11.219","0.0008","90","","92.311","0.001","90","","1934.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O -","- C23 H25 N O -","- C92 H100 N4 O4 -","4","1","","Hu, Hai-Chuan; Liu, Yu-Heng; Li, Bo-Le; Cui, Zhen-Shui; Zhang, Zhan-Hui","Deep eutectic solvent based on choline chloride and malonic acid as an efficient and reusable catalytic system for one-pot synthesis of functionalized pyrroles","RSC Adv.","2014","","","","","10.1039/C4RA13577F","","","0.71073","MoKα","","0.0598","0.0523","","","0.143","0.1506","","","","","","1.023","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219165","10.9782","0.0011","9.8343","0.0008","11.7533","0.0011","90","","109.846","0.01","90","","1193.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N3 O3 -","- C14 H11 N3 O3 -","- C56 H44 N12 O12 -","4","1","","Hajra, Alakananda; Hashim, Rauzah; Rahman, Matiur; Ling, Irene; Abdullah, Norbani","Organocatalysis by p-sulfonic acid calix[4]arene: a convenient and efficient route to 2,3-dihydroquinazolin-4(1H)-ones in water","RSC Adv.","2014","","","","","10.1039/C4RA16374E","","","0.71073","MoKα","","0.0679","0.0522","","","0.1342","0.1503","","","","","","1.002","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219177","12.891","0.001","7.611","0.001","18.041","0.001","90","","99.51","0.01","90","","1745.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H22 N2 O5 Ru S -","- C14 H22 N2 O5 Ru S -","- C56 H88 N8 O20 Ru4 S4 -","4","2","","Patalenszki, János; Bíró, Linda; Benyei, Attila; Muchova, Tereza Radosova; Kasparkova, Jana; Buglyo, Peter","Half-sandwich complexes of ruthenium, osmium, rhodium and iridium with DL-methionine or S-methyl-L-cysteine: A solid state and solution equilibrium study","RSC Adv.","2014","","","","","10.1039/C4RA15649H","","","0.71073","MoKα","","0.1564","0.0741","","","","0.168","","","","","","1.042","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219178","12.591","0.001","7.029","0.001","19.817","0.005","90","","105.5","0.01","90","","1690.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 N2 O5 Ru S -","- C15 H24 N2 O5 Ru S -","- C60 H96 N8 O20 Ru4 S4 -","4","1","","Patalenszki, János; Bíró, Linda; Benyei, Attila; Muchova, Tereza Radosova; Kasparkova, Jana; Buglyo, Peter","Half-sandwich complexes of ruthenium, osmium, rhodium and iridium with DL-methionine or S-methyl-L-cysteine: A solid state and solution equilibrium study","RSC Adv.","2014","","","","","10.1039/C4RA15649H","","","0.71073","MoKα","","0.0963","0.0777","","","","0.2036","","","","","","1.25","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219179","8.2247","0.0001","33.0397","0.0005","11.3562","0.0002","90","","90","","90","","3085.95","0.08","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H28 Cu2 N12 O -","- C32 H28 Cu2 N12 O -","- C128 H112 Cu8 N48 O4 -","4","0.5","","Fang, Wen-zhong; Wang, Ya-Ping; Wang, Yi-Fan; Zhang, Shou-chun; Yi, Xiao-Yi","Anion-directed Assembly of Helical Copper(II) Complexes Based on a Bispyridylpyrrole Ligand: Synthesis, Structural and Magnetic Properties","RSC Adv.","2014","","","","","10.1039/C4RA15191G","","","0.71073","MoKα","","0.0522","0.0358","","","0.0827","0.0976","","","","","","1.081","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219180","17.6233","0.0003","12.3436","0.0002","15.2939","0.0003","90","","123.026","0.001","90","","2789.4","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cu N4 O3 -","- C14 H10 Cu N4 O3 -","- C112 H80 Cu8 N32 O24 -","8","1","","Fang, Wen-zhong; Wang, Ya-Ping; Wang, Yi-Fan; Zhang, Shou-chun; Yi, Xiao-Yi","Anion-directed Assembly of Helical Copper(II) Complexes Based on a Bispyridylpyrrole Ligand: Synthesis, Structural and Magnetic Properties","RSC Adv.","2014","","","","","10.1039/C4RA15191G","","","0.71073","MoKα","","0.0215","0.0205","","","0.0645","0.0654","","","","","","1.085","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219181","18.6566","0.0009","11.8775","0.0006","19.2374","0.001","90","","90","","90","","4262.9","0.4","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C43 H30 Cu2 F3 N9 O3 S -","- C43 H30 Cu2 F3 N9 O3 S -","- C172 H120 Cu8 F12 N36 O12 S4 -","4","1","","Fang, Wen-zhong; Wang, Ya-Ping; Wang, Yi-Fan; Zhang, Shou-chun; Yi, Xiao-Yi","Anion-directed Assembly of Helical Copper(II) Complexes Based on a Bispyridylpyrrole Ligand: Synthesis, Structural and Magnetic Properties","RSC Adv.","2014","","","","","10.1039/C4RA15191G","","","0.71073","MoKα","","0.1053","0.0647","","","0.1546","0.1685","","","","","","1.013","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219182","11.1962","0.0005","15.1146","0.0007","11.9446","0.0005","90","","94.215","0.002","90","","2015.87","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","DDJS-48","","","- C35 H41 Cl2 Cu3 N5 O18 -","- C35 H41 Cl2 Cu3 N5 O18 -","- C70 H82 Cl4 Cu6 N10 O36 -","2","1","","Das, Debasis; Adhikari, Sangita; Banerjee, Arnab; Nandy, Sandip; Fondo, Matilde; Sanmartin, Jesus","Structure, magnetism and catecholase activity of the first dicopper(II) complex having a single μ-alkoxo bridge","RSC Adv.","2014","","","","","10.1039/C4RA14603D","","x-ray","0.71073","MoKα","","0.0698","0.0525","","","0.1168","0.1314","","","","","","0.995","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219183","27.107","0.002","42.977","0.002","11.7228","0.0008","90","","90","","90","","13656.8","1.5","100","2","100","2","","","","","","","synthesis as described","6","F d d 2","F 2 -2d","43","","","","- C14 H17 Cl Cu N2 O8 -","- C14 H17 Cl Cu N2 O8 -","- C448 H544 Cl32 Cu32 N64 O256 -","32","2","","Das, Debasis; Adhikari, Sangita; Banerjee, Arnab; Nandy, Sandip; Fondo, Matilde; Sanmartin, Jesus","Structure, magnetism and catecholase activity of the first dicopper(II) complex having a single μ-alkoxo bridge","RSC Adv.","2014","","","","","10.1039/C4RA14603D","","x-ray","0.7107","MoKα","","0.0418","0.0337","","","0.0635","0.0665","","","","","","1.026","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219189","18.1486","0.0004","8.7692","0.0002","22.0638","0.0005","90","","111.758","0.002","90","","3261.26","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H16 Cl8 N2 O9 -","- C29 H16 Cl8 N2 O9 -","- C116 H64 Cl32 N8 O36 -","4","1","","Hu, Yanjing; Li, Zhiqiang; Zhao, Yiran; Yang, Yu; Liu, Faqian; Wang, Lei","Using Halogen•••Halogen Interactions or C/N‒H•••Cl Hydrogen Bonding to Direct Crystal Packing in Tetrachlorophthalic Acid with N‒heterocyclic Compounds","RSC Adv.","2014","","","","","10.1039/C4RA15392H","","","0.71073","MoKα","","0.0546","0.0383","","","0.0904","0.0991","","","","","","1.043","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219190","9.4206","0.0003","12.0251","0.0003","24.0488","0.0009","90","","90","","90","","2724.34","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H6 Cl4 N4 O4 -","- C10 H6 Cl4 N4 O4 -","- C80 H48 Cl32 N32 O32 -","8","1","","Hu, Yanjing; Li, Zhiqiang; Zhao, Yiran; Yang, Yu; Liu, Faqian; Wang, Lei","Using Halogen•••Halogen Interactions or C/N‒H•••Cl Hydrogen Bonding to Direct Crystal Packing in Tetrachlorophthalic Acid with N‒heterocyclic Compounds","RSC Adv.","2014","","","","","10.1039/C4RA15392H","","","0.71073","MoKα","","0.0412","0.0306","","","0.064","0.0705","","","","","","1.055","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219191","8.5055","0.0006","9.8663","0.0007","11.0901","0.0007","88.177","0.001","73.768","0.001","87.108","0.001","892.27","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H22 Cl8 N4 O8 -","- C32 H22 Cl8 N4 O8 -","- C32 H22 Cl8 N4 O8 -","1","0.5","","Hu, Yanjing; Li, Zhiqiang; Zhao, Yiran; Yang, Yu; Liu, Faqian; Wang, Lei","Using Halogen•••Halogen Interactions or C/N‒H•••Cl Hydrogen Bonding to Direct Crystal Packing in Tetrachlorophthalic Acid with N‒heterocyclic Compounds","RSC Adv.","2014","","","","","10.1039/C4RA15392H","","","0.71073","MoKα","","0.0699","0.0653","","","0.1736","0.1787","","","","","","1.043","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219192","12.614","0.003","11.255","0.002","10.9","0.002","90","","106.969","0.003","90","","1480.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 Cl4 N3 O4 -","- C12 H7 Cl4 N3 O4 -","- C48 H28 Cl16 N12 O16 -","4","1","","Hu, Yanjing; Li, Zhiqiang; Zhao, Yiran; Yang, Yu; Liu, Faqian; Wang, Lei","Using Halogen•••Halogen Interactions or C/N‒H•••Cl Hydrogen Bonding to Direct Crystal Packing in Tetrachlorophthalic Acid with N‒heterocyclic Compounds","RSC Adv.","2014","","","","","10.1039/C4RA15392H","","","0.71073","MoKα","","0.0593","0.0554","","","0.1419","0.1498","","","","","","1.077","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219193","36.8502","0.0017","5.5385","0.0002","12.552","0.0006","90","","105.115","0.006","90","","2473.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 Cl4 N O4 -","- C9 H6 Cl4 N O4 -","- C72 H48 Cl32 N8 O32 -","8","1","","Hu, Yanjing; Li, Zhiqiang; Zhao, Yiran; Yang, Yu; Liu, Faqian; Wang, Lei","Using Halogen•••Halogen Interactions or C/N‒H•••Cl Hydrogen Bonding to Direct Crystal Packing in Tetrachlorophthalic Acid with N‒heterocyclic Compounds","RSC Adv.","2014","","","","","10.1039/C4RA15392H","","","0.71073","MoKα","","0.0425","0.0337","","","0.0816","0.0897","","","","","","1.041","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219194","7.4149","0.0004","8.9129","0.0006","18.713","0.0011","97.47","0.005","97.712","0.005","98.484","0.005","1197.87","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl4 N6 O8 -","- C18 H20 Cl4 N6 O8 -","- C36 H40 Cl8 N12 O16 -","2","1","","Hu, Yanjing; Li, Zhiqiang; Zhao, Yiran; Yang, Yu; Liu, Faqian; Wang, Lei","Using Halogen•••Halogen Interactions or C/N‒H•••Cl Hydrogen Bonding to Direct Crystal Packing in Tetrachlorophthalic Acid with N‒heterocyclic Compounds","RSC Adv.","2014","","","","","10.1039/C4RA15392H","","","0.71073","MoKα","","0.0801","0.0497","","","0.1145","0.1262","","","","","","0.977","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219195","12.6127","0.0005","23.7989","0.0009","9.5324","0.0004","90","","98.59","0.004","90","","2829.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cl4 N4 O6 -","- C24 H24 Cl4 N4 O6 -","- C96 H96 Cl16 N16 O24 -","4","0.5","","Hu, Yanjing; Li, Zhiqiang; Zhao, Yiran; Yang, Yu; Liu, Faqian; Wang, Lei","Using Halogen•••Halogen Interactions or C/N‒H•••Cl Hydrogen Bonding to Direct Crystal Packing in Tetrachlorophthalic Acid with N‒heterocyclic Compounds","RSC Adv.","2014","","","","","10.1039/C4RA15392H","","","0.71073","MoKα","","0.0864","0.0607","","","0.1364","0.1551","","","","","","1.039","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219196","7.047","0.004","8.497","0.005","15.269","0.009","84.24","0.009","83.995","0.01","72.863","0.009","866.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cl4 N2 O5 -","- C15 H10 Cl4 N2 O5 -","- C30 H20 Cl8 N4 O10 -","2","1","","Hu, Yanjing; Li, Zhiqiang; Zhao, Yiran; Yang, Yu; Liu, Faqian; Wang, Lei","Using Halogen•••Halogen Interactions or C/N‒H•••Cl Hydrogen Bonding to Direct Crystal Packing in Tetrachlorophthalic Acid with N‒heterocyclic Compounds","RSC Adv.","2014","","","","","10.1039/C4RA15392H","","","0.71073","MoKα","","0.1134","0.0891","","","0.2169","0.2354","","","","","","0.951","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219197","8.0907","0.0015","8.1765","0.0015","10.6283","0.0019","91.44","0.003","101.366","0.003","114.809","0.003","621.1","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(E)-methyl-3-(5-methoxybenzofuran-2-yl)acrylate","","- C14 H14 O4 -","- C14 H14 O4 -","- C28 H28 O8 -","2","1","","Menon, Rajeev; Reddy, Swetha; Thadkapally, Srinivas; Mamidyala, Mounika; Nanubolu, Jagadeesh babu","A Convenient Synthesis of 2-Substituted Benzofurans from Salicylaldehydes","RSC Adv.","2014","","","","","10.1039/C4RA14948C","","","0.71073","MoKα","","0.0531","0.047","","","0.1141","0.1184","","","","","","1.109","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219203","11.064","0.004","15.957","0.005","23.362","0.007","90","","92.265","0.009","90","","4121","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30.75 H30 Mg2 N2.25 O12.75 -","- C30.75 H24.75 Mg2 N2.25 O12.75 -","- C123 H99 Mg8 N9 O51 -","4","1","","Xie, Shuilin; Wang, Haifeng; Liu, Zhonghua; Dai, Renke; Huang, Lizhen","Fluorescent Metal-organic Framework Based On Pyrene Chromophore For Sensing of Nitrobenzene","RSC Adv.","2014","","","","","10.1039/C4RA10835C","","","0.71073","MoKα","","0.1754","0.0991","","","0.2039","0.2371","","","","","","0.997","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219245","18.815","0.014","15.629","0.011","8.851","0.006","90","","103.255","0.009","90","","2533","3","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 O2 -","- C34 H30 O2 -","- C136 H120 O8 -","4","1","","Feng, Xing; Hu, Jian-Yong; Tomiyasu, Hirotsugu; Tao, Zhu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Wei, Xian-Fu; Yamato, Takehiko","Iron(iii) bromide catalyzed bromination of 2-tert-butylpyrene and corresponding position-dependent aryl-functionalized pyrene derivatives","RSC Adv.","2014","5","12","8835","","10.1039/C4RA12216J","","","0.71075","MoKα","","","0.1034","","","","0.3036","","","","","","1.186","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219246","12.642","0.002","12.96","0.002","13.854","0.002","86.048","0.002","67.354","0.002","60.942","0.002","1811.4","0.5","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H42 O4 -","- C48 H42 O4 -","- C96 H84 O8 -","2","1","","Feng, Xing; Hu, Jian-Yong; Tomiyasu, Hirotsugu; Tao, Zhu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Wei, Xian-Fu; Yamato, Takehiko","Iron(iii) bromide catalyzed bromination of 2-tert-butylpyrene and corresponding position-dependent aryl-functionalized pyrene derivatives","RSC Adv.","2014","5","12","8835","","10.1039/C4RA12216J","","","0.71073","MoKα","","0.0695","0.0475","","","0.1277","0.1413","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7219247","34.643","0.004","11.0927","0.0016","10.1811","0.0013","90","","90","","90","","3912.4","0.9","113","","113","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H24 O -","- C27 H24 O -","- C216 H192 O8 -","8","1","","Feng, Xing; Hu, Jian-Yong; Tomiyasu, Hirotsugu; Tao, Zhu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Wei, Xian-Fu; Yamato, Takehiko","Iron(iii) bromide catalyzed bromination of 2-tert-butylpyrene and corresponding position-dependent aryl-functionalized pyrene derivatives","RSC Adv.","2014","5","12","8835","","10.1039/C4RA12216J","","","1.54187","CuKα","","","0.036","","","","0.1041","","","","","","1.123","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219248","9.136","0.002","17.638","0.004","19.524","0.004","90","","98.252","0.004","90","","3113.5","1.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 O3 -","- C41 H36 O3 -","- C164 H144 O12 -","4","1","","Feng, Xing; Hu, Jian-Yong; Tomiyasu, Hirotsugu; Tao, Zhu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Wei, Xian-Fu; Yamato, Takehiko","Iron(iii) bromide catalyzed bromination of 2-tert-butylpyrene and corresponding position-dependent aryl-functionalized pyrene derivatives","RSC Adv.","2014","5","12","8835","","10.1039/C4RA12216J","","","0.71073","MoKα","","0.0773","0.0483","","","0.1285","0.146","","","","","","1.062","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219249","10.299","0.006","12.845","0.007","13.482","0.012","111.174","0.009","103.142","0.01","102.291","0.007","1531.7","1.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H36 N0 O3 -","- C41 H36 O3 -","- C82 H72 O6 -","2","1","","Feng, Xing; Hu, Jian-Yong; Tomiyasu, Hirotsugu; Tao, Zhu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Wei, Xian-Fu; Yamato, Takehiko","Iron(iii) bromide catalyzed bromination of 2-tert-butylpyrene and corresponding position-dependent aryl-functionalized pyrene derivatives","RSC Adv.","2014","5","12","8835","","10.1039/C4RA12216J","","","0.71073","MoKα","","0.1347","0.0911","","","0.2372","0.2649","","","","","","0.988","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219250","17.5703","0.0006","8.8286","0.0003","24.0368","0.0009","90","","101.19","0.002","90","","3657.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 O4 -","- C48 H42 O4 -","- C192 H168 O16 -","4","1","","Feng, Xing; Hu, Jian-Yong; Tomiyasu, Hirotsugu; Tao, Zhu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Wei, Xian-Fu; Yamato, Takehiko","Iron(iii) bromide catalyzed bromination of 2-tert-butylpyrene and corresponding position-dependent aryl-functionalized pyrene derivatives","RSC Adv.","2014","5","12","8835","","10.1039/C4RA12216J","","","0.7749","synchrotron","","0.0619","0.0441","","","0.1206","0.1317","","","","","","1.035","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7219320","11.158","0.003","12.352","0.003","12.264","0.002","90","","120.845","0.017","90","","1451.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 O2 -","- C16 H11 Cl2 O2 -","- C64 H44 Cl8 O8 -","4","1","","Han, Xin; Wu, Haoming; Dong, Chune; Tien, Po; Xie, Wei; Wu, Shuwen; Zhou, Hai-Bing","Halolactones are potent HIV-1 non-nucleoside reverse transcriptase inhibitors","RSC Adv.","2014","5","13","10005","","10.1039/C4RA11087K","","","0.71073","MoKα","","0.258","0.1895","","","0.4577","0.5113","","","","","","1.744","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7221623","17.323748","0.00007","17.323748","0.00007","7.000171","0.000036","90","","90","","120","","1819.38","0.014","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","","","Ca2Al3O6F","- Al6 Ca4 F2 O12 -","- Al6 Ca4 F2.0001 O12 -","- Al36 Ca24 F12.0006 O72 -","6","0.333333","","Zhiguo, Xia; Molokeev, Maxim; Oreshonkov, Alexander; Atuchin, Victor; Ru-Shi, Liu; Cheng, Dong","Crystal and local structure refinement in Ca2Al3O6F explored by X-ray diffraction and Raman spectroscopy","Physical Chemistry Chemical Physics","2014","16","13","5952","","10.1039/C3CP53816H","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.445","3.885","","","1.971","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"7229154","10.05","0.002","7.4652","0.0015","7.4871","0.0015","90","","105.83","0.03","90","","540.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Co1.5 F2 H5 N O4 P -","- Co1.5 F2 H5 N O4 P -","- Co6 F8 H20 N4 O16 P4 -","4","1","","Guangmei Wang; Martin Valldor; Bert Mallick; Anja-Verena Mudring","Ionothermal synthesis of open-framework metal phosphates with a Kagome lattice network exhibiting canted anti-ferromagnetism","Journal of Materials Chemistry C","2014","2","","7417","7427","10.1039/C4TC00290C","","","0.71073","MoKα","","0.0318","0.0278","","","0.0715","0.0731","","","","","","1.045","","","","has coordinates","200833","2020-10-21","18:00:00",""
"7229155","19.917","0.004","7.5116","0.0015","7.5942","0.0015","90","","102.76","0.03","90","","1108.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Co12 F8 H32 N4 O48 P12 -","- Co12 F8 H32 N4 O48 P12 -","- Co12 F8 H32 N4 O48 P12 -","1","0.125","","Guangmei Wang; Martin Valldor; Bert Mallick; Anja-Verena Mudring","Ionothermal synthesis of open-framework metal phosphates with a Kagome lattice network exhibiting canted anti-ferromagnetism","Journal of Materials Chemistry C","2014","2","","7417","7427","10.1039/C4TC00290C","","","0.71073","MoKα","","0.046","0.0333","","","0.0796","0.0826","","","","","","0.944","","","","has coordinates","200834","2020-10-21","18:00:00",""
"7229156","19.773","0.004","7.4649","0.0015","7.5566","0.0015","90","","102.51","0.03","90","","1088.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Co1.5 F H2 K0.5 O6 P1.5 -","- Co1.5 F H2 K0.5 O6 P1.5 -","- Co12 F8 H16 K4 O48 P12 -","8","1","","Guangmei Wang; Martin Valldor; Bert Mallick; Anja-Verena Mudring","Ionothermal synthesis of open-framework metal phosphates with a Kagome lattice network exhibiting canted anti-ferromagnetism","Journal of Materials Chemistry C","2014","2","","7417","7427","10.1039/C4TC00290C","","","0.71073","MoKα","","0.0375","0.035","","","0.0966","0.098","","","","","","1.143","","","","has coordinates","200835","2020-10-21","18:00:00",""
"7229157","20.003","0.004","7.4692","0.0015","7.6879","0.0015","90","","102.72","0.03","90","","1120.4","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F Fe1.5 H2 K0.5 O6 P1.5 -","- F Fe1.5 H2 K0.5 O6 P1.5 -","- F8 Fe12 H16 K4 O48 P12 -","8","1","","Guangmei Wang; Martin Valldor; Bert Mallick; Anja-Verena Mudring","Ionothermal synthesis of open-framework metal phosphates with a Kagome lattice network exhibiting canted anti-ferromagnetism","Journal of Materials Chemistry C","2014","2","","7417","7427","10.1039/C4TC00290C","","","0.71073","MoKα","","0.0352","0.0251","","","0.0601","0.0615","","","","","","1.026","","","","has coordinates","200836","2020-10-21","18:00:00",""
"7233579","7.985","0.005","11.898","0.007","20.22","0.011","73.605","0.012","78.698","0.012","74.512","0.012","1760.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H55 N3 S2 Si2 -","- C30 H55 N3 S2 Si2 -","- C60 H110 N6 S4 Si4 -","2","1","","Yulia A. Getmanenko; Sanjeev Singh; Bhupinder Sandhu; Cheng-Yin Wang; Tatiana Timofeeva; Bernard Kippelen; Seth R. Marder","Pyrrole[3,2-d:4,5-d']bisthiazole-bridged bis(naphthalene diimide)s as electron-transport materials","Journal of Materials Chemistry C","2014","2","","124","131","10.1039/C3TC31677G","","","0.71073","MoKα","","0.0792","0.0463","","","0.111","0.1236","","","","","","1.009","","","","has coordinates","217867","2020-10-21","18:00:00",""
"7233580","8.3182","0.0006","19.0237","0.0012","10.5572","0.0007","90","","108.03","0.001","90","","1588.57","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Br2 N3 S2 -","- C12 H13 Br2 N3 S2 -","- C48 H52 Br8 N12 S8 -","4","1","","Yulia A. Getmanenko; Sanjeev Singh; Bhupinder Sandhu; Cheng-Yin Wang; Tatiana Timofeeva; Bernard Kippelen; Seth R. Marder","Pyrrole[3,2-d:4,5-d']bisthiazole-bridged bis(naphthalene diimide)s as electron-transport materials","Journal of Materials Chemistry C","2014","2","","124","131","10.1039/C3TC31677G","","","0.71073","MoKα","","0.0374","0.0261","","","0.0643","0.0675","","","","","","1.027","","","","has coordinates","217868","2020-10-21","18:00:00",""
"7233581","26.376","0.002","16.0586","0.0013","24.243","0.002","90","","101.223","0.002","90","","10072","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C66 H44 I8 S44 -","- C66 H44 I8 S44 -","- C264 H176 I32 S176 -","4","1","","Victor Lebedev; Elena Laukhina; Evelyn Moreno-Calvo; Concepcio Rovira; Vladimir Laukhin; Ivan Ivanov; Sergei M. Dolotov; Valery F. Traven; Vladimir V. Chernyshev; Jaume Veciana","A new (TTF)11I8 organic molecular conductor: from single crystals to flexible all-organic piezoresistive films","Journal of Materials Chemistry C","2014","2","","139","146","10.1039/C3TC31513D","","","0.71073","MoKα","","0.1487","0.0406","","","0.0878","0.131","","","","","","0.918","","","","has coordinates","217869","2020-10-21","18:00:00",""
"7233582","6.2934","0.0004","11.9839","0.0008","32.646","0.002","90","","90","","90","","2462.1","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 Pt -","- C31 H26 N2 Pt -","- C124 H104 N8 Pt4 -","4","1","","Xiao-Peng Zhang; Tao Wu; Jian Liu; Jing-Xuan Zhang; Cheng-Hui Li; Xiao-Zeng You","Vapor-induced chiroptical switching in chiral cyclometalated platinum(II) complexes with pinene functionalized C^N^N ligands","Journal of Materials Chemistry C","2014","2","","184","194","10.1039/C3TC31997K","","","0.71073","MoKα","","0.0345","0.0285","","","0.054","0.0558","","","","","","1.008","","","","has coordinates","217871","2020-10-21","18:00:00",""
"7233583","6.0349","0.0004","15.7571","0.0011","25.3332","0.0018","90","","90","","90","","2409","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 Pt -","- C31 H26 N2 Pt -","- C124 H104 N8 Pt4 -","4","1","","Xiao-Peng Zhang; Tao Wu; Jian Liu; Jing-Xuan Zhang; Cheng-Hui Li; Xiao-Zeng You","Vapor-induced chiroptical switching in chiral cyclometalated platinum(II) complexes with pinene functionalized C^N^N ligands","Journal of Materials Chemistry C","2014","2","","184","194","10.1039/C3TC31997K","","","0.71073","MoKα","","0.0248","0.0213","","","0.0425","0.0435","","","","","","0.99","","","","has coordinates","217872","2020-10-21","18:00:00",""
"7233584","6.2882","0.0015","11.994","0.003","32.734","0.008","90","","90","","90","","2468.8","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 Pt -","- C31 H26 N2 Pt -","- C124 H104 N8 Pt4 -","4","1","","Xiao-Peng Zhang; Tao Wu; Jian Liu; Jing-Xuan Zhang; Cheng-Hui Li; Xiao-Zeng You","Vapor-induced chiroptical switching in chiral cyclometalated platinum(II) complexes with pinene functionalized C^N^N ligands","Journal of Materials Chemistry C","2014","2","","184","194","10.1039/C3TC31997K","","","0.71073","MoKα","","0.0902","0.0731","","","0.1559","0.1629","","","","","","1.068","","","","has coordinates","217873","2020-10-21","18:00:00",""
"7233585","6.018","0.003","15.716","0.008","25.26","0.012","90","","90","","90","","2389","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 Pt -","- C31 H26 N2 Pt -","- C124 H104 N8 Pt4 -","4","1","","Xiao-Peng Zhang; Tao Wu; Jian Liu; Jing-Xuan Zhang; Cheng-Hui Li; Xiao-Zeng You","Vapor-induced chiroptical switching in chiral cyclometalated platinum(II) complexes with pinene functionalized C^N^N ligands","Journal of Materials Chemistry C","2014","2","","184","194","10.1039/C3TC31997K","","","0.71073","MoKα","","0.0825","0.0575","","","0.1148","0.1203","","","","","","1.004","","","","has coordinates","217874","2020-10-21","18:00:00",""
"7233586","16.74","0.005","12.432","0.005","9.236","0.003","90","","90","","90","","1922.1","1.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Yujian Zhang; Jingwei Sun; Guilin Zhuang; Mi Ouyang; Zhenwei Yu; Feng Cao; Guoxiang Pan; Peisong Tang; Cheng Zhang; Yuguang Ma","Heating and mechanical force-induced luminescence on–off switching of arylamine derivatives with highly distorted structures","Journal of Materials Chemistry C","2014","2","","195","200","10.1039/C3TC31416B","","","0.71073","MoKα","","0.0669","0.0384","","","0.0799","0.091","","","","","","0.996","","","","has coordinates","217875","2020-10-21","18:00:00",""
"7233587","5.911","0.003","11.088","0.006","11.978","0.007","64.751","0.009","85.929","0.01","83.362","0.01","705.1","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","5,5Bis(5nheptylpyridin-2-yl)2,2-bithiophene","","","- C32 H40 N2 S2 -","- C32 H40 N2 S2 -","- C32 H40 N2 S2 -","1","0.5","","Yulia A. Getmanenko; Shin-Woong Kang; Naresh Shakya; Chandra Pokhrel; Scott D. Bunge; Satyendra Kumar; Brett D. Ellman; Robert J. Twieg","5,5'-Bis-(alkylpyridinyl)-2,2'-bithiophenes: synthesis, liquid crystalline behaviour and charge transport","Journal of Materials Chemistry C","2014","2","","256","271","10.1039/C3TC31522C","","","0.71073","MoKα","","0.087","0.0565","","","0.1379","0.1626","","","","","","0.904","","","","has coordinates","217877","2020-10-21","18:00:00",""
"7233588","5.6","0.0011","11.4","0.002","11.92","0.002","75.6","0.03","87.4","0.03","76.2","0.03","715.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","5,5Bis(5nonylpyridin-2-yl)2,2-bithiophene","","","- C34 H44 N2 S2 -","- C34 H44 N2 S2 -","- C34 H44 N2 S2 -","1","0.5","","Yulia A. Getmanenko; Shin-Woong Kang; Naresh Shakya; Chandra Pokhrel; Scott D. Bunge; Satyendra Kumar; Brett D. Ellman; Robert J. Twieg","5,5'-Bis-(alkylpyridinyl)-2,2'-bithiophenes: synthesis, liquid crystalline behaviour and charge transport","Journal of Materials Chemistry C","2014","2","","256","271","10.1039/C3TC31522C","","","0.71073","MoKα","","0.0897","0.0592","","","0.1417","0.1644","","","","","","0.863","","","","has coordinates","217878","2020-10-21","18:00:00",""
"7233589","6.073","0.004","11.566","0.007","12.264","0.007","95.841","0.011","91.877","0.01","100.404","0.011","841.7","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","5,5Bis(5ndecylpyridin-2-yl)2,2-bithiophene","","","- C38 H52 N2 S2 -","- C38 H52 N2 S2 -","- C38 H52 N2 S2 -","1","0.5","","Yulia A. Getmanenko; Shin-Woong Kang; Naresh Shakya; Chandra Pokhrel; Scott D. Bunge; Satyendra Kumar; Brett D. Ellman; Robert J. Twieg","5,5'-Bis-(alkylpyridinyl)-2,2'-bithiophenes: synthesis, liquid crystalline behaviour and charge transport","Journal of Materials Chemistry C","2014","2","","256","271","10.1039/C3TC31522C","","","0.71073","MoKα","","0.1105","0.0624","","","0.154","0.181","","","","","","0.906","","","","has coordinates","217879","2020-10-21","18:00:00",""
"7233590","5.661","0.006","11.898","0.012","28.47","0.03","98.44","0.015","91.421","0.016","103.379","0.015","1842","3","160","2","160","2","","","","","","","","4","P -1","-P 1","2","5,5Bis(5ndodecylpyridin-2-yl)2,2-bithiophene","","","- C42 H60 N2 S2 -","- C42 H60 N2 S2 -","- C84 H120 N4 S4 -","2","1","","Yulia A. Getmanenko; Shin-Woong Kang; Naresh Shakya; Chandra Pokhrel; Scott D. Bunge; Satyendra Kumar; Brett D. Ellman; Robert J. Twieg","5,5'-Bis-(alkylpyridinyl)-2,2'-bithiophenes: synthesis, liquid crystalline behaviour and charge transport","Journal of Materials Chemistry C","2014","2","","256","271","10.1039/C3TC31522C","","","0.71073","MoKα","","0.2106","0.0737","","","0.1556","0.2262","","","","","","0.848","","","","has coordinates","217880","2020-10-21","18:00:00",""
"7233591","27.239","0.003","26.022","0.003","15.3824","0.0015","90","","101.558","0.006","90","","10682","2","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 Cl2 N4 Zn -","- C60 H68 Cl2 N4 Zn -","- C480 H544 Cl16 N32 Zn8 -","8","1","","Paul Savel; Huriye Akdas-Kilig; Jean-Pierre Malval; Arnaud Spangenberg; Thierry Roisnel; Jean-Luc Fillaut","Metal-induced dimensionality tuning in a series of bipyrimidine-based ligands: a tool to enhance two-photon absorption","Journal of Materials Chemistry C","2014","2","","295","305","10.1039/C3TC31370K","","x-ray","0.71073","MoKα","","0.2031","0.1049","","","0.3045","0.354","","","","","","1.005","","","","has coordinates,has disorder","217881","2020-10-21","18:00:00",""
"7233595","6.7867","0.0014","3.5336","0.0007","22.719","0.004","90","","90.69","0.03","90","","544.8","0.18","110","2","110","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","AgTCNQCl2","","","- C12 H2 Ag Cl2 N4 -","- C12 H2 Ag Cl2 N4 -","- C24 H4 Ag2 Cl4 N8 -","2","0.5","","Zhongyue Zhang; Hanhua Zhao; Michio M. Matsushita; Kunio Awaga; Kim R. Dunbar","A new metal-organic hybrid material with intrinsic resistance-based bistability: monitoring in situ room temperature switching behavior","Journal of Materials Chemistry C","2014","2","","399","404","10.1039/C3TC31577K","","","0.41328","Synchrotron","","0.042","0.0392","","","0.0906","0.0914","","","","","","1.396","","","","has coordinates","217902","2020-10-21","18:00:00",""
"7233596","7.254","0.0015","7.79","0.0016","11.64","0.002","84.02","0.03","74.69","0.03","65.01","0.03","575","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","AgTCNQBr2","","","- C12 H2 Ag Br2 N4 -","- C12 H2 Ag Br2 N4 -","- C24 H4 Ag2 Br4 N8 -","2","1","","Zhongyue Zhang; Hanhua Zhao; Michio M. Matsushita; Kunio Awaga; Kim R. Dunbar","A new metal-organic hybrid material with intrinsic resistance-based bistability: monitoring in situ room temperature switching behavior","Journal of Materials Chemistry C","2014","2","","399","404","10.1039/C3TC31577K","","","0.41328","","","0.1105","0.0643","","","0.1502","0.1784","","","","","","1.024","","","","has coordinates","217903","2020-10-21","18:00:00",""
"7233597","12.5196","0.0003","16.0199","0.0005","17.2926","0.0004","99.607","0.002","101.025","0.002","106.326","0.002","3176.08","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 F4 Ir N5 -","- C34 H20 F4 Ir N5 -","- C136 H80 F16 Ir4 N20 -","4","2","","K. S. Bejoymohandas; T. M. George; S. Bhattacharya; S. Natarajan; M. L. P. Reddy","AIPE-active green phosphorescent iridium(III) complex impregnated test strips for the vapor-phase detection of 2,4,6-trinitrotoluene (TNT)","Journal of Materials Chemistry C","2014","2","","515","523","10.1039/C3TC31941E","","","0.71073","MoKα","","0.0524","0.0361","","","0.079","0.0871","","","","","","1","","","","has coordinates","217904","2020-10-21","18:00:00",""
"7233598","19.5994","0.0006","7.7561","0.0002","32.5648","0.0009","90","","95.614","0.003","90","","4926.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N-Isopropylbenzylammonium Tetrafluoroborate","","","- C10 H16 B F4 N -","- C10 H16 B F4 N -","- C160 H256 B16 F64 N16 -","16","2","","Chengmin Ji; Zhihua Sun; Shu-Quan Zhang; Tianliang Chen; Pan Zhou; Junhua Luo","N-Isopropylbenzylammonium tetrafluoroborate: an organic dielectric relaxor with a tunable transition between high and low dielectric states","Journal of Materials Chemistry C","2014","2","","567","572","10.1039/C3TC31378F","","","0.71073","MoKα","","0.0964","0.08","","","0.2094","0.2236","","","","","","1.068","","","","has coordinates","217905","2020-10-21","18:00:00",""
"7233599","18.493","0.004","7.7954","0.0016","10.016","0.002","90","","119.35","0.03","90","","1258.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","N-Isopropylbenzylammonium Tetrafluoroborate","","","- C10 H18 B F4 N -","- C10 H18 B F4 N -","- C40 H72 B4 F16 N4 -","4","0.5","","Chengmin Ji; Zhihua Sun; Shu-Quan Zhang; Tianliang Chen; Pan Zhou; Junhua Luo","N-Isopropylbenzylammonium tetrafluoroborate: an organic dielectric relaxor with a tunable transition between high and low dielectric states","Journal of Materials Chemistry C","2014","2","","567","572","10.1039/C3TC31378F","","","0.71073","MoKα","","0.1423","0.0939","","","0.3018","0.3572","","","","","","1.064","","","","has coordinates","217906","2020-10-21","18:00:00",""
"7233600","6.4991","0.0006","6.5059","0.0006","11.3175","0.0011","88.458","0.006","86.019","0.005","61.351","0.005","418.92","0.07","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- B10 H6 O22 Sr4 -","- B10 H6 O22 Sr4 -","- B10 H6 O22 Sr4 -","1","1","","Fangyuan Zhang; Qun Jing; Fangfang Zhang; Shilie Pan; Zhihua Yang; Jian Han; Min Zhang; Shujuan Han","Sr4B10O18(OH)2.2H2O: a new UV nonlinear optical material with a [B10O23]16- building block","Journal of Materials Chemistry C","2014","2","","667","674","10.1039/C3TC31420K","","","0.71073","MoKα","","0.0324","0.0288","","","0.0587","0.0597","","","","","","1.018","","","","has coordinates","217908","2020-10-21","18:00:00",""
"7233601","8.5286","0.0001","8.5521","0.0002","28.2714","0.0007","90","","90","","90","","2062.04","0.07","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Cd Hg N4 O2 S6 -","- C8 H12 Cd Hg N4 O2 S6 -","- C32 H48 Cd4 Hg4 N16 O8 S24 -","4","1","","Xitao Liu; Xinqiang Wang; Xin Yin; Shaojun Zhang; Lei Wang; Luyi Zhu; Guanghui Zhang; Dong Xu","Characterization and strong piezoelectric response of an organometallic nonlinear optical crystal: CdHg(SCN)4(C2H6SO)2","Journal of Materials Chemistry C","2014","2","","723","730","10.1039/C3TC31433B","","","0.71073","MoKα","","0.0563","0.0305","","","0.0495","0.0553","","","","","","0.876","","","","has coordinates","217909","2020-10-21","18:00:00",""
"7233602","10.173","0.002","8.9148","0.0018","14.751","0.003","90","","95.17","0.03","90","","1332.3","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 S2 -","- C38 H24 S2 -","- C76 H48 S4 -","2","0.5","","Xiaotao Zhang; Jakob K. Sorensen; Xiaolong Fu; Yonggang Zhen; Guangyao Zhao; Lang Jiang; Huanli Dong; Jie Liu; Zhigang Shuai; Hua Geng; Thomas Bjornholm; Wenping Hu","Rubrene analogues with the aggregation-induced emission enhancement behaviour","Journal of Materials Chemistry C","2014","2","","884","890","10.1039/C3TC31794C","","","0.71073","MoKα","","0.0712","0.0649","","","0.1292","0.1326","","","","","","1.173","","","","has coordinates,has disorder","217910","2020-10-21","18:00:00",""
"7233603","11.401","0.002","8.9944","0.0018","13.989","0.003","90","","113.59","0.03","90","","1314.6","0.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H20 S4 -","- C34 H20 S4 -","- C68 H40 S8 -","2","1","","Xiaotao Zhang; Jakob K. Sorensen; Xiaolong Fu; Yonggang Zhen; Guangyao Zhao; Lang Jiang; Huanli Dong; Jie Liu; Zhigang Shuai; Hua Geng; Thomas Bjornholm; Wenping Hu","Rubrene analogues with the aggregation-induced emission enhancement behaviour","Journal of Materials Chemistry C","2014","2","","884","890","10.1039/C3TC31794C","","","0.71073","MoKα","","0.0449","0.043","","","0.1025","0.1041","","","","","","1.045","","","","has coordinates,has disorder","217911","2020-10-21","18:00:00",""
"7233604","12.6635","0.0013","21.772","0.002","12.6541","0.0012","90","","117.068","0.002","90","","3106.7","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 N2 -","- C42 H34 N2 -","- C168 H136 N8 -","4","1","","Yang Liu; Xin Ye; Guangfeng Liu; Yun Lv; Xiying Zhang; Shuming Chen; Jacky W. Y. Lam; Hoi Sing Kwok; Xutang Tao; Ben Zhong Tang","Structural features and optical properties of a carbazole-containing ethene as a highly emissive organic solid","Journal of Materials Chemistry C","2014","2","","1004","1009","10.1039/C3TC32145B","","","0.71073","MoKα","","0.1095","0.0537","","","0.111","0.1313","","","","","","1.007","","","","has coordinates","217912","2020-10-21","18:00:00",""
"7233605","9.3685","0.0004","12.2751","0.0006","14.8984","0.0007","79.556","0.001","74.457","0.001","80.621","0.001","1611.43","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 Cl3 F2 N2 -","- C38 H27 Cl3 F2 N2 -","- C76 H54 Cl6 F4 N4 -","2","1","","Yiwu Liu; Yi Zhang; Xinhui Wu; Qi Lan; Chuansen Chen; Siwei Liu; Zhenguo Chi; Long Jiang; Xudong Chen; Jiarui Xu","Deep-blue luminescent compound that emits efficiently both in solution and solid state with considerable blue-shift upon aggregation","Journal of Materials Chemistry C","2014","2","","1068","1075","10.1039/C3TC31825G","","","0.71073","MoKα","","0.069","0.0536","","","0.1495","0.1664","","","","","","1.059","","","","has coordinates","217913","2020-10-21","18:00:00",""
"7233606","17.493","0.004","15.092","0.003","23.745","0.005","90","","97.06","0.03","90","","6221","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 O27 Zn4 -","- C50 H32 O27 Zn4 -","- C100 H64 O54 Zn8 -","2","0.5","","Ming-Li Ma; Jian-Hua Qin; Can Ji; Hong Xu; Rui Wang; Bao-Jun Li; Shuang-Quan Zang; Hong-Wei Hou; Stuart R. Batten","Anionic porous metal-organic framework with novel 5-connected vbk topology for rapid adsorption of dyes and tunable white light emission","Journal of Materials Chemistry C","2014","2","","1085","1093","10.1039/C3TC32001D","","","0.71073","MoKα","","0.1151","0.0962","","","0.3157","0.349","","","","","","1.449","","","","has coordinates","217914","2020-10-21","18:00:00",""
"7233607","12.9055","0.0005","15.0122","0.0005","20.3242","0.0007","92.209","0.001","108.391","0.001","110.069","0.001","3461.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H23 F6 Ir N4 O2 -","- C38 H23 F6 Ir N4 O2 -","- C152 H92 F24 Ir4 N16 O8 -","4","2","","Hong-Yan Li; Tian-Yi Li; Ming-Yu Teng; Qiu-Lei Xu; Song Zhang; Yi-Ming Jin; Xuan Liu; You-Xuan Zheng; Jing-Lin Zuo","Syntheses, photoluminescence and electroluminescence of four heteroleptic iridium complexes with 2-(5-phenyl-1,3,4-oxadiazol-2-yl)-phenol derivatives as ancillary ligands","Journal of Materials Chemistry C","2014","2","","1116","1124","10.1039/C3TC31915F","","","0.71073","MoKα","","0.0686","0.0484","","","0.1128","0.1179","","","","","","0.889","","","","has coordinates,has disorder","217915","2020-10-21","18:00:00",""
"7233608","21.344","0.009","15.541","0.007","11.071","0.005","90","","76.233","0.006","90","","3567","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H19 F10 Ir N4 O2 -","- C38 H19 F10 Ir N4 O2 -","- C152 H76 F40 Ir4 N16 O8 -","4","1","","Hong-Yan Li; Tian-Yi Li; Ming-Yu Teng; Qiu-Lei Xu; Song Zhang; Yi-Ming Jin; Xuan Liu; You-Xuan Zheng; Jing-Lin Zuo","Syntheses, photoluminescence and electroluminescence of four heteroleptic iridium complexes with 2-(5-phenyl-1,3,4-oxadiazol-2-yl)-phenol derivatives as ancillary ligands","Journal of Materials Chemistry C","2014","2","","1116","1124","10.1039/C3TC31915F","","","0.71073","MoKα","","0.0972","0.0666","","","0.1676","0.204","","","","","","1.197","","","","has coordinates,has disorder","217916","2020-10-21","18:00:00",""
"7233609","11.0803","0.0005","11.7675","0.0004","14.7797","0.0007","90","","104.152","0.004","90","","1868.6","0.14","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl La4 O8 P -","- Cl La4 O8 P -","- Cl8 La32 O64 P8 -","8","2","","Hamdi Ben Yahia; Ute Ch. Rodewald; Claus Feldmann; Marcus Roming; Francois Weill; Rainer Pottgen","X-Ray diffraction and SAED characterisations of RE4O4[PO4]Cl (RE = La, Pr, and Nd) and photoluminescence properties of Eu3±doped La4O4[PO4]Cl","Journal of Materials Chemistry C","2014","2","","1131","1140","10.1039/C3TC31466A","","x-ray","0.71069","MoKα","","0.0376","0.0376","","","0.0814","0.0814","","","","1.17","1.17","1.17","","","","has coordinates","217917","2020-10-21","18:00:00",""
"7233610","5.7875","0.0004","5.7875","0.0004","13.0685","0.0012","90","","90","","90","","437.73","0.06","293","1","293","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- Cl Nd4 O8 P -","- Cl Nd4 O8 P -","- Cl2 Nd8 O16 P2 -","2","0.125","","Hamdi Ben Yahia; Ute Ch. Rodewald; Claus Feldmann; Marcus Roming; Francois Weill; Rainer Pottgen","X-Ray diffraction and SAED characterisations of RE4O4[PO4]Cl (RE = La, Pr, and Nd) and photoluminescence properties of Eu3±doped La4O4[PO4]Cl","Journal of Materials Chemistry C","2014","2","","1131","1140","10.1039/C3TC31466A","","","0.71073","MoKα","","0.0375","0.0189","","","0.045","0.0468","","","","1","1","0.86","","","","has coordinates","217918","2020-10-21","18:00:00",""
"7233611","5.8211","0.0003","5.8211","0.0003","13.1523","0.001","90","","90","","90","","445.67","0.05","293","","293","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- Cl O8 P Pr4 -","- Cl O8 P Pr4 -","- Cl2 O16 P2 Pr8 -","2","0.125","","Hamdi Ben Yahia; Ute Ch. Rodewald; Claus Feldmann; Marcus Roming; Francois Weill; Rainer Pottgen","X-Ray diffraction and SAED characterisations of RE4O4[PO4]Cl (RE = La, Pr, and Nd) and photoluminescence properties of Eu3±doped La4O4[PO4]Cl","Journal of Materials Chemistry C","2014","2","","1131","1140","10.1039/C3TC31466A","","","0.71069","MoKα","","0.0455","0.0213","","","0.0393","0.0449","","","","0.87","0.87","0.82","","","","has coordinates","217919","2020-10-21","18:00:00",""
"7233612","13.1523","0.001","5.8211","0.0003","5.8211","0.0003","90","","90","","90","","445.67","0.05","293","","293","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Cl O8 P Pr4 -","- Cl O8 P Pr4 -","- Cl2 O16 P2 Pr8 -","2","0.5","","Hamdi Ben Yahia; Ute Ch. Rodewald; Claus Feldmann; Marcus Roming; Francois Weill; Rainer Pottgen","X-Ray diffraction and SAED characterisations of RE4O4[PO4]Cl (RE = La, Pr, and Nd) and photoluminescence properties of Eu3±doped La4O4[PO4]Cl","Journal of Materials Chemistry C","2014","2","","1131","1140","10.1039/C3TC31466A","","x-ray","0.71069","MoKα","","0.0268","0.0268","","","0.0605","0.0605","","","","1.03","1.03","1.03","","","","has coordinates","217920","2020-10-21","18:00:00",""
"7233615","11.408","0.002","19.62","0.004","11.72","0.002","90","","106.43","0.03","90","","2516.1","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Cl6 N4 O2 S4 -","- C48 H50 Cl6 N4 O2 S4 -","- C96 H100 Cl12 N8 O4 S8 -","2","0.5","","Jianguo Wang; Xin Chen; Guanxin Zhang; Zitong Liu; Deqing Zhang","Conjugated electron donor-acceptor molecules with (E)-[4,4'-biimidazolylidene]-5,5'(1H,1'H)-dione for new organic semiconductors","Journal of Materials Chemistry C","2014","2","","1149","1157","10.1039/C3TC31741B","","","0.71073","MoKα","","0.1088","0.0969","","","0.2495","0.2682","","","","","","1.202","","","","has coordinates,has disorder","217940","2020-10-21","18:00:00",""
"7233616","33.232","0.013","10.346","0.004","27.852","0.011","90","","106.872","0.007","90","","9164","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 Eu N0 O8 S2 -","- C31 H27 Eu O8 S2 -","- C248 H216 Eu8 O64 S16 -","8","1","","Huabin Zhang; Xiaochen Shan; Zuju Ma; Liujiang Zhou; Mingjian Zhang; Ping Lin; Shengmin Hu; En Ma; Renfu Li; Shaowu Du","A highly luminescent chameleon: fine-tuned emission trajectory and controllable energy transfer","Journal of Materials Chemistry C","2014","2","","1367","1371","10.1039/C3TC31624F","","","0.71073","MoKα","","0.0969","0.0853","","","0.1836","0.1893","","","","","","1.215","","","","has coordinates,has disorder","217941","2020-10-21","18:00:00",""
"7233617","33.226","0.007","10.372","0.002","27.776","0.006","90","","107.061","0.004","90","","9151","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 Gd N0 O8 S2 -","- C31 H27 Gd O8 S2 -","- C248 H216 Gd8 O64 S16 -","8","1","","Huabin Zhang; Xiaochen Shan; Zuju Ma; Liujiang Zhou; Mingjian Zhang; Ping Lin; Shengmin Hu; En Ma; Renfu Li; Shaowu Du","A highly luminescent chameleon: fine-tuned emission trajectory and controllable energy transfer","Journal of Materials Chemistry C","2014","2","","1367","1371","10.1039/C3TC31624F","","","0.71073","MoKα","","0.0466","0.0398","","","0.0851","0.0878","","","","","","1.092","","","","has coordinates,has disorder","217942","2020-10-21","18:00:00",""
"7233618","33.182","0.009","10.296","0.002","27.814","0.006","90","","107.238","0.004","90","","9076","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 N0 O8 S2 Tb -","- C31 H27 O8 S2 Tb -","- C248 H216 O64 S16 Tb8 -","8","1","","Huabin Zhang; Xiaochen Shan; Zuju Ma; Liujiang Zhou; Mingjian Zhang; Ping Lin; Shengmin Hu; En Ma; Renfu Li; Shaowu Du","A highly luminescent chameleon: fine-tuned emission trajectory and controllable energy transfer","Journal of Materials Chemistry C","2014","2","","1367","1371","10.1039/C3TC31624F","","","0.71073","MoKα","","0.0495","0.0433","","","0.0912","0.0939","","","","","","1.063","","","","has coordinates,has disorder","217943","2020-10-21","18:00:00",""
"7233631","14.7001","0.0001","23.6787","0.0002","20.2012","0.0002","90","","102.175","0.001","90","","6873.46","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H168 Cl4 N8 O28 Yb4 -","- C120 H168 Cl4 N8 O28 Yb4 -","- C240 H336 Cl8 N16 O56 Yb8 -","2","0.5","","Weixu Feng; Yao Zhang; Zhao Zhang; Peiyang Su; Xingqiang Lu; Jirong Song; Daidi Fan; Wai-Kwok Wong; Richard A. Jones; Chengyong Su","Near-infrared (NIR) luminescent metallopolymers based on Ln4(Salen)4 nanoclusters (Ln = Nd or Yb)","Journal of Materials Chemistry C","2014","2","","1489","1499","10.1039/C3TC31814A","","","1.54178","CuKα","","0.0558","0.0514","","","0.1394","0.1438","","","","","","1.069","","","","has coordinates","217960","2020-10-21","18:00:00",""
"7233632","16.176","0.004","17.079","0.004","35.499","0.008","90","","100.157","0.005","90","","9654","4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H98 Mo8 N10 O30 -","- C84 H98 Mo8 N10 O30 -","- C336 H392 Mo32 N40 O120 -","4","0.5","","Khadija Hakouk; Olivier Oms; Anne Dolbecq; Jerome Marrot; Ali Saad; Pierre Mialane; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt","New photoresponsive charge-transfer spiropyran/polyoxometalate assemblies with highly tunable optical properties","Journal of Materials Chemistry C","2014","2","","1628","1641","10.1039/C3TC31992J","","","0.71073","MoKα","","0.1365","0.0901","","","0.2299","0.2512","","","","","","1.054","","","","has coordinates","217961","2020-10-21","18:00:00",""
"7233633","11.5703","0.0004","11.8955","0.0004","18.1788","0.0006","71.98","0.002","84.391","0.002","88.141","0.001","2367.9","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H106 Mo8 N10 O32 -","- C86 H106 Mo8 N10 O32 -","- C86 H106 Mo8 N10 O32 -","1","0.5","","Khadija Hakouk; Olivier Oms; Anne Dolbecq; Jerome Marrot; Ali Saad; Pierre Mialane; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt","New photoresponsive charge-transfer spiropyran/polyoxometalate assemblies with highly tunable optical properties","Journal of Materials Chemistry C","2014","2","","1628","1641","10.1039/C3TC31992J","","","0.71073","MoKα","","0.094","0.0415","","","0.0702","0.0841","","","","","","0.995","","","","has coordinates","217962","2020-10-21","18:00:00",""
"7233634","11.547","0.004","12.049","0.004","18.237","0.006","108.644","0.007","96.689","0.008","90.338","0.007","2385.3","1.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H104 Mo8 N8 O32 S2 -","- C84 H92 Mo8 N8 O32 S2 -","- C84 H92 Mo8 N8 O32 S2 -","1","0.5","","Khadija Hakouk; Olivier Oms; Anne Dolbecq; Jerome Marrot; Ali Saad; Pierre Mialane; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt","New photoresponsive charge-transfer spiropyran/polyoxometalate assemblies with highly tunable optical properties","Journal of Materials Chemistry C","2014","2","","1628","1641","10.1039/C3TC31992J","","","0.71073","MoKα","","0.1266","0.0656","","","0.1636","0.1991","","","","","","0.994","","","","has coordinates","217963","2020-10-21","18:00:00",""
"7233635","11.157","0.004","11.733","0.004","22.906","0.008","90","","90","","90","","2998.5","1.8","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C6 H32 Fe Mo6 N3 O25 -","- C6 H19 Fe Mo6 N3 O25 -","- C24 H76 Fe4 Mo24 N12 O100 -","4","0.5","","Khadija Hakouk; Olivier Oms; Anne Dolbecq; Jerome Marrot; Ali Saad; Pierre Mialane; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt","New photoresponsive charge-transfer spiropyran/polyoxometalate assemblies with highly tunable optical properties","Journal of Materials Chemistry C","2014","2","","1628","1641","10.1039/C3TC31992J","","","0.71073","MoKα","","0.1494","0.0752","","","0.1581","0.1915","","","","","","1.025","","","","has coordinates","217964","2020-10-21","18:00:00",""
"7233636","7.8567","0.0005","13.9952","0.0009","14.8673","0.001","107.733","0.004","91.033","0.004","104.028","0.003","1503.16","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H69 Al Mo6 N4 O30 -","- C44 H56 Al Mo6 N4 O30 -","- C44 H56 Al Mo6 N4 O30 -","1","0.5","","Khadija Hakouk; Olivier Oms; Anne Dolbecq; Jerome Marrot; Ali Saad; Pierre Mialane; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt","New photoresponsive charge-transfer spiropyran/polyoxometalate assemblies with highly tunable optical properties","Journal of Materials Chemistry C","2014","2","","1628","1641","10.1039/C3TC31992J","","","0.71073","MoKα","","0.0662","0.0471","","","0.1363","0.1527","","","","","","1.109","","","","has coordinates,has disorder","217965","2020-10-21","18:00:00",""
"7233637","10.438","0.002","15.074","0.003","16.129","0.003","90","","104.513","0.004","90","","2456.8","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H47.5 Mo6 N4.5 O21 -","- C41 H44 Mo6 N4.5 O21 -","- C82 H88 Mo12 N9 O42 -","2","0.5","","Khadija Hakouk; Olivier Oms; Anne Dolbecq; Jerome Marrot; Ali Saad; Pierre Mialane; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt","New photoresponsive charge-transfer spiropyran/polyoxometalate assemblies with highly tunable optical properties","Journal of Materials Chemistry C","2014","2","","1628","1641","10.1039/C3TC31992J","","","0.71073","MoKα","","0.0614","0.0344","","","0.078","0.0926","","","","","","1.062","","","","has coordinates","217966","2020-10-21","18:00:00",""
"7233638","8.97022","0.00017","15.2256","0.0004","23.7904","0.0007","74.036","0.002","88.6555","0.0019","82.0711","0.0019","3093.69","0.14","230","2","230","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H44 Ir2 N8 Nd O10 -","- C68 H44 Ir2 N8 Nd O10 -","- C136 H88 Ir4 N16 Nd2 O20 -","2","1","","Lina Li; Shuquan Zhang; Liangjin Xu; Zhong-Nin Chen; Junhua Luo","Highly sensitized near-infrared luminescence in Ir-Ln heteronuclear coordination polymers via light-harvesting antenna of Ir(III) unit","Journal of Materials Chemistry C","2014","2","","1698","1703","10.1039/C3TC31822B","","","1.54184","CuKα","","0.0418","0.0364","","","0.1102","0.1161","","","","","","1.008","","","","has coordinates","217967","2020-10-21","18:00:00",""
"7233639","9.00246","0.00019","15.2262","0.0003","23.4324","0.0005","73.838","0.0018","89.0785","0.0017","83.0742","0.0016","3061.99","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H44 Er Ir2 N8 O10 -","- C68 H44 Er Ir2 N8 O10 -","- C136 H88 Er2 Ir4 N16 O20 -","2","1","","Lina Li; Shuquan Zhang; Liangjin Xu; Zhong-Nin Chen; Junhua Luo","Highly sensitized near-infrared luminescence in Ir-Ln heteronuclear coordination polymers via light-harvesting antenna of Ir(III) unit","Journal of Materials Chemistry C","2014","2","","1698","1703","10.1039/C3TC31822B","","","1.54184","CuKα","","0.0482","0.0419","","","0.1072","0.1136","","","","","","1.007","","","","has coordinates","217968","2020-10-21","18:00:00",""
"7233640","8.9631","0.0003","15.2186","0.0005","23.6351","0.0008","73.861","0.003","88.732","0.003","82.398","0.003","3069.33","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H44 Gd Ir2 N8 O10 -","- C68 H44 Gd Ir2 N8 O10 -","- C136 H88 Gd2 Ir4 N16 O20 -","2","1","","Lina Li; Shuquan Zhang; Liangjin Xu; Zhong-Nin Chen; Junhua Luo","Highly sensitized near-infrared luminescence in Ir-Ln heteronuclear coordination polymers via light-harvesting antenna of Ir(III) unit","Journal of Materials Chemistry C","2014","2","","1698","1703","10.1039/C3TC31822B","","","1.54184","CuKα","","0.0498","0.0432","","","0.1145","0.1212","","","","","","0.945","","","","has coordinates","217969","2020-10-21","18:00:00",""
"7233641","8.9717","0.0003","15.1215","0.0004","23.7174","0.0006","73.467","0.002","88.039","0.003","81.392","0.003","3049.74","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H44 Ir2 N8 O10 Yb -","- C68 H44 Ir2 N8 O10 Yb -","- C136 H88 Ir4 N16 O20 Yb2 -","2","1","","Lina Li; Shuquan Zhang; Liangjin Xu; Zhong-Nin Chen; Junhua Luo","Highly sensitized near-infrared luminescence in Ir-Ln heteronuclear coordination polymers via light-harvesting antenna of Ir(III) unit","Journal of Materials Chemistry C","2014","2","","1698","1703","10.1039/C3TC31822B","","","1.54184","CuKα","","0.0834","0.0755","","","0.2307","0.2397","","","","","","1.117","","","","has coordinates","217970","2020-10-21","18:00:00",""
"7233642","6.4274","0.0013","8.3282","0.0017","9.4891","0.0019","90","","101.19","0.03","90","","498.28","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B6 F2 O11 Pb3 -","- B6 F2 O11 Pb3 -","- B12 F4 O22 Pb6 -","2","1","","Hongyi Li; Hongping Wu; Xin Su; Hongwei Yu; Shilie Pan; Zhihua Yang; Yi Lu; Jian Han; Kenneth R. Poeppelmeier","Pb3B6O11F2: the first non-centrosymmetric lead borate fluoride with a large second harmonic generation response","Journal of Materials Chemistry C","2014","2","","1704","1710","10.1039/C3TC32002B","","","0.71073","MoKα","","0.0439","0.0436","","","0.0927","0.093","","","","","","1.068","","","","has coordinates","217971","2020-10-21","18:00:00",""
"7233643","30.3853","0.0006","30.3853","0.0006","10.535","0.0002","90","","90","","120","","8423.5","0.3","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H22 B N O2 -","- C24 H22 B N O2 -","- C432 H396 B18 N18 O36 -","18","1","","Paul Kautny; Daniel Lumpi; Yanping Wang; Antoine Tissot; Johannes Bintinger; Ernst Horkel; Berthold Stoger; Christian Hametner; Hans Hagemann; Dongge Ma; Johannes Fröhlich","Oxadiazole based bipolar host materials employing planarized triarylamine donors for RGB PHOLEDs with low efficiency roll-off","Journal of Materials Chemistry C","2014","2","","2069","2081","10.1039/C3TC32338B","","x-ray","0.71073","MoKα","","0.0514","0.0406","","","0.06","0.0604","","","","3.57","3.57","3.24","","","","has coordinates","217972","2020-10-21","18:00:00",""
"7233644","17.9874","0.0004","9.2989","0.0008","21.5822","0.0009","90","","90","","90","","3609.9","0.4","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C50 H32 N4 O -","- C50 H32 N4 O -","- C200 H128 N16 O4 -","4","1","","Paul Kautny; Daniel Lumpi; Yanping Wang; Antoine Tissot; Johannes Bintinger; Ernst Horkel; Berthold Stoger; Christian Hametner; Hans Hagemann; Dongge Ma; Johannes Fröhlich","Oxadiazole based bipolar host materials employing planarized triarylamine donors for RGB PHOLEDs with low efficiency roll-off","Journal of Materials Chemistry C","2014","2","","2069","2081","10.1039/C3TC32338B","","x-ray","0.71073","MoKα","","0.0485","0.0395","","","0.0439","0.0444","","","","2.67","2.67","2.52","","","","has coordinates","217973","2020-10-21","18:00:00",""
"7233645","16.6992","0.0007","8.3716","0.0003","49.404","0.002","90","","90","","90","","6906.6","0.5","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H28 N4 O S2 -","- C46 H28 N4 O S2 -","- C368 H224 N32 O8 S16 -","8","2","","Paul Kautny; Daniel Lumpi; Yanping Wang; Antoine Tissot; Johannes Bintinger; Ernst Horkel; Berthold Stoger; Christian Hametner; Hans Hagemann; Dongge Ma; Johannes Fröhlich","Oxadiazole based bipolar host materials employing planarized triarylamine donors for RGB PHOLEDs with low efficiency roll-off","Journal of Materials Chemistry C","2014","2","","2069","2081","10.1039/C3TC32338B","","x-ray","0.71073","MoKα","","0.0566","0.0361","","","0.0347","0.0363","","","","1.68","1.68","1.53","","","","has coordinates","217974","2020-10-21","18:00:00",""
"7233646","13.303","0.005","22.847","0.005","19.514","0.005","90","","132.756","0.015","90","","4355","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 Ir N8 O3 -","- C49 H33 Ir N8 O3 -","- C196 H132 Ir4 N32 O12 -","4","1","","Hongtao Cao; Haizhu Sun; Yongming Yin; Xuemei Wen; Guogang Shan; Zhongmin Su; Ronglin Zhong; Wenfa Xie; Peng Li; Dongxia Zhu","Iridium(III) complexes adopting 1,2-diphenyl-1H-benzoimidazole ligands for highly efficient organic light-emitting diodes with low efficiency roll-off and non-doped feature","Journal of Materials Chemistry C","2014","2","","2150","2159","10.1039/C3TC32092H","","","0.71069","MoKα","","0.0708","0.0387","","","0.101","0.124","","","","","","0.778","","","","has coordinates","217975","2020-10-21","18:00:00",""
"7233647","10.1576","0.0002","9.0869","0.0002","26.2826","0.0007","90","","99.266","0.002","90","","2394.26","0.1","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl2 N4 O10 -","- C23 H18 Cl2 N4 O10 -","- C92 H72 Cl8 N16 O40 -","4","1","","Guo-Ping Yong; Yu-Mei Zhao; Ya Feng","Stimuli-responsive switching of magnetic properties and solid-state colors for 2,3'-biimidazo[1,2-a]pyridin-2'-one radical derivatives","Journal of Materials Chemistry C","2014","2","","2228","2234","10.1039/C3TC32130D","","","1.54184","CuKα","","0.0545","0.0505","","","0.1348","0.1393","","","","","","1.056","","","","has coordinates","217976","2020-10-21","18:00:00",""
"7233648","8.4405","0.0006","12.6053","0.0007","14.5536","0.0007","111.421","0.005","104.571","0.005","94.943","0.006","1367.59","0.16","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cl3 N5 O15 -","- C22 H20 Cl3 N5 O15 -","- C44 H40 Cl6 N10 O30 -","2","1","","Guo-Ping Yong; Yu-Mei Zhao; Ya Feng","Stimuli-responsive switching of magnetic properties and solid-state colors for 2,3'-biimidazo[1,2-a]pyridin-2'-one radical derivatives","Journal of Materials Chemistry C","2014","2","","2228","2234","10.1039/C3TC32130D","","","1.54184","CuKα","","0.0744","0.0644","","","0.1557","0.1645","","","","","","1.06","","","","has coordinates","217977","2020-10-21","18:00:00",""
"7233649","8.029","0.0003","18.9754","0.0009","13.3607","0.0005","90","","106.218","0.004","90","","1954.55","0.14","290","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N4 O4 -","- C23 H20 N4 O4 -","- C92 H80 N16 O16 -","4","1","","Guo-Ping Yong; Yu-Mei Zhao; Ya Feng","Stimuli-responsive switching of magnetic properties and solid-state colors for 2,3'-biimidazo[1,2-a]pyridin-2'-one radical derivatives","Journal of Materials Chemistry C","2014","2","","2228","2234","10.1039/C3TC32130D","","","1.54184","CuKα","","0.0992","0.0841","","","0.2162","0.2295","","","","","","1.052","","","","has coordinates","217978","2020-10-21","18:00:00",""
"7233650","32.6356","0.0016","8.5232","0.0003","15.46","0.0009","90","","116.224","0.005","90","","3857.7","0.4","290","2","290","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N5 O4 -","- C22 H19 N5 O4 -","- C176 H152 N40 O32 -","8","1","","Guo-Ping Yong; Yu-Mei Zhao; Ya Feng","Stimuli-responsive switching of magnetic properties and solid-state colors for 2,3'-biimidazo[1,2-a]pyridin-2'-one radical derivatives","Journal of Materials Chemistry C","2014","2","","2228","2234","10.1039/C3TC32130D","","","1.54184","CuKα","","0.042","0.0362","","","0.0955","0.1011","","","","","","1.048","","","","has coordinates","217979","2020-10-21","18:00:00",""
"7233651","37.712","0.006","9.3734","0.0014","26.15","0.004","90","","129.367","0.002","90","","7146.3","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H38 N3 O8 Tb -","- C41 H38 N3 O8 Tb -","- C328 H304 N24 O64 Tb8 -","8","1","","Cheng-Hui Zeng; Jing-Ling Wang; Yang-Yi Yang; Tian-Shu Chu; Sheng-Liang Zhong; Seik Weng Ng; Wing-Tak Wong","Lanthanide CPs: the guest-tunable drastic changes of luminescent quantum yields, and two photon luminescence","Journal of Materials Chemistry C","2014","2","","2235","2242","10.1039/C3TC32309A","","","0.71073","MoKα","","0.0428","0.0285","","","0.0746","0.0837","","","","","","0.967","","","","has coordinates","217980","2020-10-21","18:00:00",""
"7233652","37.5637","0.0019","9.1926","0.0002","26.6219","0.0014","90","","129.649","0.008","90","","7078.1","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H33 N4 O6 Tb -","- C41 H33 N4 O6 Tb -","- C328 H264 N32 O48 Tb8 -","8","1","","Cheng-Hui Zeng; Jing-Ling Wang; Yang-Yi Yang; Tian-Shu Chu; Sheng-Liang Zhong; Seik Weng Ng; Wing-Tak Wong","Lanthanide CPs: the guest-tunable drastic changes of luminescent quantum yields, and two photon luminescence","Journal of Materials Chemistry C","2014","2","","2235","2242","10.1039/C3TC32309A","","","1.54178","CuKα","","0.0307","0.0287","","","0.0747","0.0765","","","","","","1.046","","","","has coordinates","217981","2020-10-21","18:00:00",""
"7233653","13.8541","0.0003","28.4336","0.0006","9.3044","0.0002","90","","97.754","0.002","90","","3631.69","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 N3 O7 S Tb -","- C41 H36 N3 O7 S Tb -","- C164 H144 N12 O28 S4 Tb4 -","4","1","","Cheng-Hui Zeng; Jing-Ling Wang; Yang-Yi Yang; Tian-Shu Chu; Sheng-Liang Zhong; Seik Weng Ng; Wing-Tak Wong","Lanthanide CPs: the guest-tunable drastic changes of luminescent quantum yields, and two photon luminescence","Journal of Materials Chemistry C","2014","2","","2235","2242","10.1039/C3TC32309A","","","1.54184","CuKα","","0.0948","0.0891","","","0.2204","0.2227","","","","","","1.295","","","","has coordinates","217982","2020-10-21","18:00:00",""
"7233654","9.2946","0.0007","13.8614","0.0009","14.4942","0.0008","97.275","0.005","96.048","0.005","98.684","0.006","1816.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H37 N4 O7 Tb -","- C42 H37 N4 O7 Tb -","- C84 H74 N8 O14 Tb2 -","2","1","","Cheng-Hui Zeng; Jing-Ling Wang; Yang-Yi Yang; Tian-Shu Chu; Sheng-Liang Zhong; Seik Weng Ng; Wing-Tak Wong","Lanthanide CPs: the guest-tunable drastic changes of luminescent quantum yields, and two photon luminescence","Journal of Materials Chemistry C","2014","2","","2235","2242","10.1039/C3TC32309A","","","1.54178","CuKα","","0.0449","0.0424","","","0.1085","0.1108","","","","","","1.048","","","","has coordinates","217983","2020-10-21","18:00:00",""
"7233655","9.299","0.0002","13.8249","0.0004","14.4792","0.0004","97.345","0.002","96.112","0.002","98.502","0.002","1810.88","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H37 Gd N4 O7 -","- C42 H37 Gd N4 O7 -","- C84 H74 Gd2 N8 O14 -","2","1","","Cheng-Hui Zeng; Jing-Ling Wang; Yang-Yi Yang; Tian-Shu Chu; Sheng-Liang Zhong; Seik Weng Ng; Wing-Tak Wong","Lanthanide CPs: the guest-tunable drastic changes of luminescent quantum yields, and two photon luminescence","Journal of Materials Chemistry C","2014","2","","2235","2242","10.1039/C3TC32309A","","","1.54184","CuKα","","0.0649","0.0618","","","0.1721","0.1742","","","","","","1.109","","","","has coordinates","217984","2020-10-21","18:00:00",""
"7233656","9.2927","0.0003","13.8088","0.0003","14.4762","0.0005","97.319","0.002","96.124","0.003","98.362","0.002","1807.98","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H37 Eu N4 O7 -","- C42 H37 Eu N4 O7 -","- C84 H74 Eu2 N8 O14 -","2","1","","Cheng-Hui Zeng; Jing-Ling Wang; Yang-Yi Yang; Tian-Shu Chu; Sheng-Liang Zhong; Seik Weng Ng; Wing-Tak Wong","Lanthanide CPs: the guest-tunable drastic changes of luminescent quantum yields, and two photon luminescence","Journal of Materials Chemistry C","2014","2","","2235","2242","10.1039/C3TC32309A","","","1.54184","CuKα","","0.0846","0.0809","","","0.2382","0.2421","","","","","","1.142","","","","has coordinates","217985","2020-10-21","18:00:00",""
"7233658","8.9683","0.0008","8.9683","0.0008","8.2107","0.001","90","","90","","90","","660.39","0.12","173","2","173","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C0.88 H2 F0.38 N0.13 O0.38 S0.13 -","- C0.875 H2 F0.375 N0.125 O0.38 S0.125 -","- C14 H32 F6 N2 O6.08 S2 -","16","1","","Pan Zhou; Zhihua Sun; Shuquan Zhang; Chengmin Ji; Sangen Zhao; Ren-Gen Xiong; Junhua Luo","A sequentially switchable molecular dielectric material tuned by the stepwise ordering in diisopropylammonium trifluoromethanesulfonate","Journal of Materials Chemistry C","2014","2","","2341","2345","10.1039/C3TC32238F","","","0.71073","MoKα","","0.0997","0.0651","","","0.2154","0.2548","","","","","","1.047","","","","has coordinates","217995","2020-10-21","18:00:00",""
"7233659","12.483","0.008","12.806","0.008","8.094","0.005","90","","94.388","0.008","90","","1290.1","1.4","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C3.5 H8 F1.5 N0.5 O1.5 S0.5 -","- C3.5 H8 F1.501 N0.5 O1.498 S0.5 -","- C28 H64 F12.008 N4 O11.984 S4 -","8","1","","Pan Zhou; Zhihua Sun; Shuquan Zhang; Chengmin Ji; Sangen Zhao; Ren-Gen Xiong; Junhua Luo","A sequentially switchable molecular dielectric material tuned by the stepwise ordering in diisopropylammonium trifluoromethanesulfonate","Journal of Materials Chemistry C","2014","2","","2341","2345","10.1039/C3TC32238F","","","0.71073","MoKα","","0.11","0.0992","","","0.318","0.3371","","","","","","1.357","","","","has coordinates,has disorder","217996","2020-10-21","18:00:00",""
"7233660","7.9073","0.0008","8.8169","0.0009","8.9215","0.0007","90.964","0.007","93.394","0.007","91.206","0.008","620.66","0.1","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H16 F3 N O3 S -","- C7 H16 F3 N O3 S -","- C14 H32 F6 N2 O6 S2 -","2","1","","Pan Zhou; Zhihua Sun; Shuquan Zhang; Chengmin Ji; Sangen Zhao; Ren-Gen Xiong; Junhua Luo","A sequentially switchable molecular dielectric material tuned by the stepwise ordering in diisopropylammonium trifluoromethanesulfonate","Journal of Materials Chemistry C","2014","2","","2341","2345","10.1039/C3TC32238F","","","0.71073","MoKα","","0.0997","0.0889","","","0.25","0.2618","","","","","","1.099","","","","has coordinates","217997","2020-10-21","18:00:00",""
"7233661","27.3772","0.0003","27.3772","0.0003","87.5257","0.001","90","","90","","120","","56812.5","1.1","223","2","223","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C156 H134 Br4 Cd17 N2 S24 Se4 -","- C144 Br4 Cd17 S24 Se4 -","- C1728 Br48 Cd204 S288 Se48 -","12","0.333333","","Jian-Bing Jiang; Peng Huo; Peng Wang; Yin-Yin Wu; Guo-Qing Bian; Qin-Yu Zhu; Jie Dai","Synthesis and photocurrent responsive properties of CdS/Se clusters integrated with methylviologen","Journal of Materials Chemistry C","2014","2","","2528","2533","10.1039/C3TC32093F","","","0.71073","MoKα","","0.1273","0.0747","","","0.2128","0.2598","","","","","","1.025","","","","has coordinates,has disorder","217998","2020-10-21","18:00:00",""
"7233662","27.0806","0.0004","27.0806","0.0004","86.9594","0.0012","90","","90","","120","","55228.6","1.4","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C156 H134 Br4 Cd17 N2 S28 -","- C144 Br4 Cd17 S28 -","- C1728 Br48 Cd204 S336 -","12","0.333333","","Jian-Bing Jiang; Peng Huo; Peng Wang; Yin-Yin Wu; Guo-Qing Bian; Qin-Yu Zhu; Jie Dai","Synthesis and photocurrent responsive properties of CdS/Se clusters integrated with methylviologen","Journal of Materials Chemistry C","2014","2","","2528","2533","10.1039/C3TC32093F","","","0.71073","MoKα","","0.1035","0.0716","","","0.2018","0.229","","","","","","1.028","","","","has coordinates,has disorder","217999","2020-10-21","18:00:00",""
"7233663","9.666","0.0003","23.6037","0.0008","12.8285","0.0004","90","","101.336","0.002","90","","2869.77","0.16","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H19 B F7 Ir N6 -","- C30 H19 B F7 Ir N6 -","- C120 H76 B4 F28 Ir4 N24 -","4","1","","Noviyan Darmawan; Cheng-Han Yang; Matteo Mauro; Roland Frohlich; Luisa De Cola; Chih-Hao Chang; Zih-Jyun Wu; Cheng-Wei Tai","Highly efficient blue and deep-blue emitting zwitterionic iridium(III) complexes: synthesis, photophysics and electroluminescence","Journal of Materials Chemistry C","2014","2","","2569","2582","10.1039/C3TC32181A","","","1.54178","CuKα","","0.033","0.0318","","","0.0807","0.0816","","","","","","1.077","","","","has coordinates","218000","2020-10-21","18:00:00",""
"7233664","22.5873","0.0005","16.4337","0.0004","8.511","0.0002","90","","97.541","0.001","90","","3131.9","0.13","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 F4 Ir N7 O3 S -","- C34 H26 F4 Ir N7 O3 S -","- C136 H104 F16 Ir4 N28 O12 S4 -","4","1","","Noviyan Darmawan; Cheng-Han Yang; Matteo Mauro; Roland Frohlich; Luisa De Cola; Chih-Hao Chang; Zih-Jyun Wu; Cheng-Wei Tai","Highly efficient blue and deep-blue emitting zwitterionic iridium(III) complexes: synthesis, photophysics and electroluminescence","Journal of Materials Chemistry C","2014","2","","2569","2582","10.1039/C3TC32181A","","","0.71073","MoKα","","0.0393","0.0315","","","0.0836","0.0916","","","","","","1.094","","","","has coordinates","218001","2020-10-21","18:00:00",""
"7233665","8.6423","0.0001","13.1265","0.0002","14.9287","0.0002","75.465","0.001","79.891","0.001","88.149","0.001","1613.78","0.04","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 B F7 Ir N10 -","- C32 H23 B F7 Ir N10 -","- C64 H46 B2 F14 Ir2 N20 -","2","1","","Noviyan Darmawan; Cheng-Han Yang; Matteo Mauro; Roland Frohlich; Luisa De Cola; Chih-Hao Chang; Zih-Jyun Wu; Cheng-Wei Tai","Highly efficient blue and deep-blue emitting zwitterionic iridium(III) complexes: synthesis, photophysics and electroluminescence","Journal of Materials Chemistry C","2014","2","","2569","2582","10.1039/C3TC32181A","","","0.71073","MoKα","","0.0334","0.032","","","0.0842","0.0864","","","","","","1.032","","","","has coordinates","218002","2020-10-21","18:00:00",""
"7233666","14.3219","0.0008","5.5128","0.0003","35.1522","0.0019","90","","91.371","0.003","90","","2774.6","0.3","100","","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,6-bis-(2-n-heptylthien-5-yl)dithieno[3,2-b:2',3'-d]thiophene","","","- C30 H36 S5 -","- C30 H36 S5 -","- C120 H144 S20 -","4","1","","Yulia A. Getmanenko; Shin-Woong Kang; Naresh Shakya; Chandra Pokhrel; Scott D. Bunge; Satyendra Kumar; Brett D. Ellman; Robert J. Twieg","Bis(5-alkylthiophen-2-yl)arene liquid crystals as molecular semiconductors","Journal of Materials Chemistry C","2014","2","","2600","2611","10.1039/C3TC32211D","","x-ray","0.71073","MoKα","K-L~3~","0.044","0.0414","","","0.1065","0.1095","","","","","","1.098","","","","has coordinates","218003","2020-10-21","18:00:00",""
"7233667","5.021","0.005","11.022","0.012","14.579","0.015","107.556","0.012","94.166","0.013","95.76","0.012","760.8","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 N2 O4 S2 -","- C36 H36 N2 O4 S2 -","- C36 H36 N2 O4 S2 -","1","0.5","","Jon-Paul Sun; Arthur D. Hendsbee; Ala a F. Eftaiha; Casper Macaulay; Lesley R. Rutledge; Gregory C. Welch; Ian G. Hill","Phthalimide-thiophene-based conjugated organic small molecules with high electron mobility","Journal of Materials Chemistry C","2014","2","","2612","2621","10.1039/C3TC32497D","","","0.71073","MoKα","","0.3388","0.0678","","","0.1022","0.1523","","","","","","0.583","","","","has coordinates,has disorder","287940","2023-12-01","17:20:57",""
"7233668","16.824","0.005","27.111","0.005","11.546","0.005","90","0.005","91.858","0.005","90","0.005","5264","3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H50 N10 O3 -","- C62 H50 N10 O3 -","- C248 H200 N40 O12 -","4","1","","Gang Liu; Mingdi Yang; Lianke Wang; Jun Zheng; Hongping Zhou; Jieying Wu; Yupeng Tian","Schiff base derivatives containing heterocycles with aggregation-induced emission and recognition ability","Journal of Materials Chemistry C","2014","2","","2684","2691","10.1039/C3TC32591A","","","","","","0.142","","","","","","","","","","","","","","","has coordinates","218005","2020-10-21","18:00:00",""
"7233669","23.904","0.004","9.7529","0.0017","11.323","0.002","90","","98.054","0.002","90","","2613.7","0.8","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 N5 O -","- C31 H24 N5 O -","- C124 H96 N20 O4 -","4","1","","Gang Liu; Mingdi Yang; Lianke Wang; Jun Zheng; Hongping Zhou; Jieying Wu; Yupeng Tian","Schiff base derivatives containing heterocycles with aggregation-induced emission and recognition ability","Journal of Materials Chemistry C","2014","2","","2684","2691","10.1039/C3TC32591A","","","0.71073","MoKα","","0.0886","0.0536","","","0.1592","0.1968","","","","","","1.042","","","","has coordinates","218006","2020-10-21","18:00:00",""
"7233670","9.6685","0.0019","22.865","0.005","9.6903","0.0019","90","","112.41","0.03","90","","1980.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl2 O2 -","- C24 H20 Cl2 O2 -","- C96 H80 Cl8 O8 -","4","1","","Qing Liao; Zhenzhen Xu; Xiaolan Zhong; Wei Dang; Qiang Shi; Chao Zhang; Yuxiang Weng; Zhiyuan Li; Hongbing Fu","An organic nanowire waveguide exciton-polariton sub-microlaser and its photonic application","Journal of Materials Chemistry C","2014","2","","2773","2778","10.1039/C3TC32474E","","","0.71073","MoKα","","0.095","0.09","","","0.1972","0.2003","","","","","","1.132","","","","has coordinates","218007","2020-10-21","18:00:00",""
"7233671","5.611","0.0004","9.3974","0.0006","11.4933","0.0008","75.069","0.003","81.651","0.003","80.964","0.004","574.81","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H11 Eu O7 P2 -","- C8 Eu O7 P2 -","- C16 Eu2 O14 P4 -","2","1","","Sergio M. F. Vilela; Duarte Ananias; Jose A. Fernandes; Patricia Silva; Ana C. Gomes; Nuno J. O. Silva; Marcelo O. Rodrigues; Joao P. C. Tome; Anabela A. Valente; Paulo Ribeiro-Claro; Luis D. Carlos; Joao Rocha; Filipe A. Almeida Paz","Multifunctional micro- and nanosized metal-organic frameworks assembled from bisphosphonates and lanthanides","Journal of Materials Chemistry C","2014","2","","3311","3327","10.1039/C3TC32114B","powder diffraction","","","X-ray","","","","","","","","","11.7383","","","","","","","","has coordinates","218008","2020-10-21","18:00:00",""
"7233672","5.601","0.0004","9.3849","0.0007","11.4837","0.0008","75.205","0.004","81.625","0.004","81.12","0.004","573.05","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H11 Gd O7 P2 -","- C8 Gd O7 P2 -","- C16 Gd2 O14 P4 -","2","1","","Sergio M. F. Vilela; Duarte Ananias; Jose A. Fernandes; Patricia Silva; Ana C. Gomes; Nuno J. O. Silva; Marcelo O. Rodrigues; Joao P. C. Tome; Anabela A. Valente; Paulo Ribeiro-Claro; Luis D. Carlos; Joao Rocha; Filipe A. Almeida Paz","Multifunctional micro- and nanosized metal-organic frameworks assembled from bisphosphonates and lanthanides","Journal of Materials Chemistry C","2014","2","","3311","3327","10.1039/C3TC32114B","powder diffraction","","","X-ray","","","","","","","","","12.1287","","","","","","","","has coordinates","218009","2020-10-21","18:00:00",""
"7233673","5.5882","0.0005","9.3484","0.0008","11.4594","0.001","75.325","0.004","81.698","0.004","81.177","0.005","568.77","0.09","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H11 O7 P2 Tb -","- C8 O7 P2 Tb -","- C16 O14 P4 Tb2 -","2","1","","Sergio M. F. Vilela; Duarte Ananias; Jose A. Fernandes; Patricia Silva; Ana C. Gomes; Nuno J. O. Silva; Marcelo O. Rodrigues; Joao P. C. Tome; Anabela A. Valente; Paulo Ribeiro-Claro; Luis D. Carlos; Joao Rocha; Filipe A. Almeida Paz","Multifunctional micro- and nanosized metal-organic frameworks assembled from bisphosphonates and lanthanides","Journal of Materials Chemistry C","2014","2","","3311","3327","10.1039/C3TC32114B","powder diffraction","","","X-ray","","","","","","","","","12.835","","","","","","","","has coordinates","218010","2020-10-21","18:00:00",""
"7233674","9.64469","0.00028","5.57677","0.00017","5.63227","0.00016","90","","124.975","0.0015","90","","248.229","0.013","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Bi0.94 Dy0.06 Fe O3 -","- Bi0.94 Dy0.06 Fe O3 -","- Bi3.76 Dy0.24 Fe4 O12 -","4","1","","Robert C. Lennox; Mark C. Price; William Jamieson; Marek Jura; Aziz Daoud-Aladine; Claire A. Murray; Chiu Tang; Donna C. Arnold","Strain driven structural phase transformations in dysprosium doped BiFeO3 ceramics","Journal of Materials Chemistry C","2014","2","","3345","3360","10.1039/C3TC32345E","powder diffraction","neutron","","","","","","","","","","0.04131","","2.53","","","","","","","has coordinates","218011","2020-10-21","18:00:00",""
"7233675","5.58197","0.000034","5.58197","","13.87773","0.00009","90","","90","","120","","374.476","0.003","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Bi Fe O3 -","- Bi Fe O3 -","- Bi6 Fe6 O18 -","6","0.333333","","Robert C. Lennox; Mark C. Price; William Jamieson; Marek Jura; Aziz Daoud-Aladine; Claire A. Murray; Chiu Tang; Donna C. Arnold","Strain driven structural phase transformations in dysprosium doped BiFeO3 ceramics","Journal of Materials Chemistry C","2014","2","","3345","3360","10.1039/C3TC32345E","powder diffraction","neutron","","","","","","","","","","0.0725","","1.24","","","","","","","has coordinates","218012","2020-10-21","18:00:00",""
"7233676","16.2914","0.0019","5.1448","0.0006","19.056","0.002","90","","97.021","0.006","90","","1585.2","0.3","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 -","- C26 H14 -","- C104 H56 -","4","1","","Hyunbok Lee; Yue Zhang; Lei Zhang; Timothy Mirabito; Edmund K. Burnett; Stefan Trahan; Ali Reza Mohebbi; Stefan C. B. Mannsfeld; Fred Wudl; Alejandro L. Briseno","Rubicene: a molecular fragment of C70 for use in organic field-effect transistors","Journal of Materials Chemistry C","2014","2","","3361","3366","10.1039/C3TC32117G","","","1.54178","CuKα","","0.0665","0.0595","","","0.1786","0.1829","","","","","","2.085","","","","has coordinates","218013","2020-10-21","18:00:00",""
"7233677","7.4707","0.0008","7.7479","0.0006","43.819","0.006","90","","91.54","0.01","90","","2535.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 O4 S4 -","- C26 H20 N2 O4 S4 -","- C104 H80 N8 O16 S16 -","4","0.5","","Manuela Melucci; Margherita Durso; Cristian Bettini; Massimo Gazzano; Lucia Maini; Stefano Toffanin; Susanna Cavallini; Massimiliano Cavallini; Denis Gentili; Viviana Biondo; Gianluca Generali; Federico Gallino; Raffaella Capelli; Michele Muccini","Structure-property relationships in multifunctional thieno(bis)imide-based semiconductors with different sized and shaped N-alkyl ends","Journal of Materials Chemistry C","2014","2","","3448","3456","10.1039/C3TC32538E","","","0.71073","MoKα","","0.1124","0.0787","","","0.1623","0.1785","","","","","","1.167","","","","has coordinates","218014","2020-10-21","18:00:00",""
"7233678","13.489","0.0005","5.5404","0.0002","17.523","0.0006","90","","90.06","0.002","90","","1309.57","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C60 H72 N4 O4 -","2","0.5","","Joydeep Dhar; N. Venkatramaiah; Anitha A.; Satish Patil","Photophysical, electrochemical and solid state properties of diketopyrrolopyrrole based molecular materials: importance of the donor group","Journal of Materials Chemistry C","2014","2","","3457","3466","10.1039/C3TC32251C","","","0.71073","MoKα","","0.0804","0.0455","","","0.1237","0.1677","","","","","","0.775","","","","has coordinates","218015","2020-10-21","18:00:00",""
"7233679","14.682","0.004","5.3913","0.0013","15.704","0.004","90","","97.355","0.004","90","","1232.8","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N2 O2 S2 -","- C26 H32 N2 O2 S2 -","- C52 H64 N4 O4 S4 -","2","0.5","","Joydeep Dhar; N. Venkatramaiah; Anitha A.; Satish Patil","Photophysical, electrochemical and solid state properties of diketopyrrolopyrrole based molecular materials: importance of the donor group","Journal of Materials Chemistry C","2014","2","","3457","3466","10.1039/C3TC32251C","","","0.71073","MoKα","","0.0928","0.0542","","","0.1217","0.1412","","","","","","1.04","","","","has coordinates","218016","2020-10-21","18:00:00",""
"7233680","15.307","0.003","5.912","0.002","15.3931","0.0017","90","","106.796","0.012","90","","1333.6","0.5","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H15 Au Cl N O -","- C12 H15 Au Cl N O -","- C48 H60 Au4 Cl4 N4 O4 -","4","1","","Kaori Fujisawa; Yuki Okuda; Yuichi Izumi; Akira Nagamatsu; Yuki Rokusha; Yusuke Sadaike; Osamu Tsutsumi","Reversible thermal-mode control of luminescence from liquid-crystalline gold(I) complexes","Journal of Materials Chemistry C","2014","2","","3549","3555","10.1039/C3TC31973C","","x-ray","1.54178","CuKα","","0.0403","0.0308","","","","0.0932","","","","","","1.184","","","","has coordinates,has disorder","218031","2020-10-21","18:00:00",""
"7233681","20.744","0.002","7.279","0.003","21.511","0.003","90","","116.686","0.008","90","","2902.1","1.3","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C13 H17 Au Cl N O -","- C13 H17 Au Cl N O -","- C104 H136 Au8 Cl8 N8 O8 -","8","2","","Kaori Fujisawa; Yuki Okuda; Yuichi Izumi; Akira Nagamatsu; Yuki Rokusha; Yusuke Sadaike; Osamu Tsutsumi","Reversible thermal-mode control of luminescence from liquid-crystalline gold(I) complexes","Journal of Materials Chemistry C","2014","2","","3549","3555","10.1039/C3TC31973C","","x-ray","1.54184","CuKα","","0.0547","0.043","","","","0.1252","","","","","","1.076","","","","has coordinates,has disorder","218032","2020-10-21","18:00:00",""
"7233682","7.3185","0.0015","10.594","0.002","20.763","0.005","83.909","0.008","81.684","0.008","75.894","0.006","1540.6","0.6","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 Au Cl N O -","- C14 H19 Au Cl N O -","- C56 H76 Au4 Cl4 N4 O4 -","4","2","","Kaori Fujisawa; Yuki Okuda; Yuichi Izumi; Akira Nagamatsu; Yuki Rokusha; Yusuke Sadaike; Osamu Tsutsumi","Reversible thermal-mode control of luminescence from liquid-crystalline gold(I) complexes","Journal of Materials Chemistry C","2014","2","","3549","3555","10.1039/C3TC31973C","","","0.71075","MoKα","","","0.0309","","","","0.058","","","","","","0.742","","","","has coordinates","218033","2020-10-21","18:00:00",""
"7233683","24.074","0.005","12.735","0.003","13.455","0.003","90","","118.63","0.03","90","","3620.7","1.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 O11 Sr2 -","- C16 H14 O11 Sr2 -","- C128 H112 O88 Sr16 -","8","1","","Muhammad Usman; Cheng-Hua Lee; Dung-Shing Hung; Shang-Fan Lee; Chih-Chieh Wang; Tzuoo-Tsair Luo; Li Zhao; Mau-Kuen Wu; Kuang-Lieh Lu","Intrinsic low dielectric behaviour of a highly thermally stable Sr-based metal-organic framework for interlayer dielectric materials","Journal of Materials Chemistry C","2014","2","","3762","3768","10.1039/C4TC00149D","","","0.71073","MoKα","","0.0388","0.026","","","0.0518","0.0557","","","","","","1.026","","","","has coordinates","218034","2020-10-21","18:00:00",""
"7233684","14.1494","0.0007","5.0861","0.0002","15.1825","0.0007","90","","108.108","0.005","90","","1038.5","0.09","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N4 O6 S2 -","- C22 H18 N4 O6 S2 -","- C44 H36 N8 O12 S4 -","2","0.5","","Ying Shu; Annabel Mikosch; Kevin N. Winzenberg; Peter Kemppinen; Christopher D. Easton; Ante Bilic; Craig M. Forsyth; Christopher J. Dunn; Th. Birendra Singh; Gavin E. Collis","N-Alkyl functionalized barbituric and thiobarbituric acid bithiophene derivatives for vacuum deposited n-channel OFETs","Journal of Materials Chemistry C","2014","2","","3895","3899","10.1039/C4TC00002A","","","1.54178","CuKα","","0.033","0.0299","","","0.0783","0.0803","","","","","","1.066","","","","has coordinates","218035","2020-10-21","18:00:00",""
"7233685","5.0394","0.0003","27.5017","0.0017","8.9894","0.0006","90","","96.938","0.003","90","","1236.74","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 O6 S2 -","- C26 H26 N4 O6 S2 -","- C52 H52 N8 O12 S4 -","2","0.5","","Ying Shu; Annabel Mikosch; Kevin N. Winzenberg; Peter Kemppinen; Christopher D. Easton; Ante Bilic; Craig M. Forsyth; Christopher J. Dunn; Th. Birendra Singh; Gavin E. Collis","N-Alkyl functionalized barbituric and thiobarbituric acid bithiophene derivatives for vacuum deposited n-channel OFETs","Journal of Materials Chemistry C","2014","2","","3895","3899","10.1039/C4TC00002A","","","0.71073","MoKα","","0.048","0.0392","","","0.0949","0.0994","","","","","","1.057","","","","has coordinates,has disorder","218036","2020-10-21","18:00:00",""
"7233686","28.194","0.008","3.7655","0.0009","21.917","0.005","90","","96.998","0.013","90","","2309.5","1","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H18 F2 -","- C40 H18 F2 -","- C160 H72 F8 -","4","0.5","","Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao","Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation","Journal of Materials Chemistry C","2014","2","","3928","3935","10.1039/C4TC00296B","","","0.71073","MoKα","","0.125","0.0606","","","0.1474","0.1971","","","","","","1.059","","","","has coordinates","218037","2020-10-21","18:00:00",""
"7233687","22.635","0.005","3.8175","0.0007","28.706","0.006","90","","97.446","0.011","90","","2459.5","0.9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H18 Cl2 -","- C40 H18 Cl2 -","- C160 H72 Cl8 -","4","1","","Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao","Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation","Journal of Materials Chemistry C","2014","2","","3928","3935","10.1039/C4TC00296B","","","0.71073","MoKα","","0.3834","0.1204","","","0.2639","0.4332","","","","","","0.959","","","","has coordinates","218038","2020-10-21","18:00:00",""
"7233688","32.238","0.006","20.371","0.004","7.4765","0.0012","90","","90","","90","","4910","1.5","123","","123","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C42 H24 -","- C42 H24 -","- C336 H192 -","8","1","","Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao","Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation","Journal of Materials Chemistry C","2014","2","","3928","3935","10.1039/C4TC00296B","","","0.71075","MoKα","","","0.0833","","","","0.1762","","","","","","1.261","","","","has coordinates","218039","2020-10-21","18:00:00",""
"7233689","16.638","0.006","7.303","0.003","22.897","0.009","90","","97.954","0.006","90","","2755.4","1.9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H18 F6 -","- C42 H18 F6 -","- C168 H72 F24 -","4","1","","Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao","Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation","Journal of Materials Chemistry C","2014","2","","3928","3935","10.1039/C4TC00296B","","","0.71073","MoKα","","0.191","0.0798","","","0.2083","0.2871","","","","","","0.962","","","","has coordinates,has disorder","218040","2020-10-21","18:00:00",""
"7233690","11.5281","0.0014","18.237","0.003","23.459","0.005","87.113","0.007","81.251","0.006","77.891","0.005","4765.3","1.4","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C48 H36 -","- C57.6 H41.94 -","- C288 H209.7 -","5","2.5","","Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao","Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation","Journal of Materials Chemistry C","2014","2","","3928","3935","10.1039/C4TC00296B","","","0.71075","MoKα","","","0.0691","","","","0.1979","","","","","","0.936","","","","has coordinates","218041","2020-10-21","18:00:00",""
"7233691","16.62","0.02","3.748","0.004","19.26","0.02","90","","105.595","0.019","90","","1156","2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H16 F4 -","- C40 H16 F4 -","- C80 H32 F8 -","2","0.5","","Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao","Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation","Journal of Materials Chemistry C","2014","2","","3928","3935","10.1039/C4TC00296B","","","0.71073","MoKα","","0.2169","0.1242","","","0.3558","0.399","","","","","","1.2","","","","has coordinates,has disorder","218042","2020-10-21","18:00:00",""
"7233692","7.1513","0.0011","12.238","0.002","14.932","0.003","74.975","0.003","86.091","0.003","73.556","0.003","1210.5","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H14 F6 -","- C40 H14 F6 -","- C80 H28 F12 -","2","1","","Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao","Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation","Journal of Materials Chemistry C","2014","2","","3928","3935","10.1039/C4TC00296B","","","0.71073","MoKα","","0.1224","0.0534","","","0.1248","0.1835","","","","","","0.997","","","","has coordinates","218043","2020-10-21","18:00:00",""
"7233693","13.69","0.003","21.558","0.004","6.2444","0.0012","90","","95.33","0.03","90","","1834.9","0.6","293","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O S -","- C23 H18 N2 O S -","- C92 H72 N8 O4 S4 -","4","1","","Pengchong Xue; Boqi Yao; Jiabao Sun; Qiuxia Xu; Peng Chen; Zhenqi Zhang; Ran Lu","Phenothiazine-based benzoxazole derivates exhibiting mechanochromic luminescence: the effect of a bromine atom","Journal of Materials Chemistry C","2014","2","","3942","3950","10.1039/C4TC00061G","","","0.71073","MoKα","","0.0761","0.049","","","0.1214","0.1343","","","","","","1.045","","","","has coordinates","218044","2020-10-21","18:00:00",""
"7233694","4.1159","0.0008","11.407","0.002","20.162","0.004","93.04","0.03","91.76","0.03","99","0.03","932.9","0.3","293","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Br N2 O S -","- C23 H16 Br N2 O S -","- C46 H32 Br2 N4 O2 S2 -","2","1","","Pengchong Xue; Boqi Yao; Jiabao Sun; Qiuxia Xu; Peng Chen; Zhenqi Zhang; Ran Lu","Phenothiazine-based benzoxazole derivates exhibiting mechanochromic luminescence: the effect of a bromine atom","Journal of Materials Chemistry C","2014","2","","3942","3950","10.1039/C4TC00061G","","","0.71073","MoKα","","0.0756","0.0559","","","0.1368","0.1606","","","","","","1.109","","","","has coordinates","218045","2020-10-21","18:00:00",""
"7233695","8.2257","0.0006","23.5398","0.0018","8.2544","0.0006","90","","90","","90","","1598.3","0.2","298","2","298","2","","","","","","","","4","A e m 2","A 2 -2b","39","","","","- Bi I5 O15 Rb2 -","- Bi I5 O15 Rb2 -","- Bi4 I20 O60 Rb8 -","4","0.5","","Yin Huang; Xianggao Meng; Pifu Gong; Lei Yang; Zheshuai Lin; Xingguo Chen; Jingui Qin","A2BiI5O15 (A = K+ or Rb+): two new promising nonlinear optical materials containing [I3O9]3- bridging anionic groups","Journal of Materials Chemistry C","2014","2","","4057","4062","10.1039/C4TC00264D","","","0.71073","MoKα","","0.0401","0.0397","","","0.1095","0.1099","","","","","","1.067","","","","has coordinates","218046","2020-10-21","18:00:00",""
"7233696","8.2115","0.0005","23.2072","0.0015","8.1977","0.0005","90","","90","","90","","1562.2","0.17","298","2","298","2","","","","","","","","4","A e m 2","A 2 -2b","39","","","","- Bi I5 K2 O15 -","- Bi I5 K2 O15 -","- Bi4 I20 K8 O60 -","4","0.5","","Yin Huang; Xianggao Meng; Pifu Gong; Lei Yang; Zheshuai Lin; Xingguo Chen; Jingui Qin","A2BiI5O15 (A = K+ or Rb+): two new promising nonlinear optical materials containing [I3O9]3- bridging anionic groups","Journal of Materials Chemistry C","2014","2","","4057","4062","10.1039/C4TC00264D","","","0.71073","MoKα","","0.0169","0.0169","","","0.0418","0.0419","","","","","","1.058","","","","has coordinates","218047","2020-10-21","18:00:00",""
"7233702","6.8765","0.0005","6.8765","0.0005","25.923","0.004","90","","90","","120","","1061.6","0.2","296","2","296","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- B7 Li4 O14 Rb3 -","- B7 Li4 O14 Rb3 -","- B21 Li12 O42 Rb9 -","3","0.5","","Zhang, Bingbing; Yang, Zhihua; Yang, Yun; Lee, Ming-Hsien; Pan, Shilie; Jing, Qun; Su, Xin","p–(p,π*) interaction mechanism revealing and accordingly designed new member in deep-ultraviolet NLO borates Li~n~M~n-1~B~2n-1~O~4n-2~ (M = Cs/Rb, n = 3, 4, 6)","Journal of Materials Chemistry C","2014","2","21","4133","4141","10.1039/c4tc00363b","","","0.71073","MoKα","","0.0234","0.0202","","","0.0433","0.0442","","","","","","1.042","","","","has coordinates","275241","2022-05-09","00:54:32",""
"7233703","15.9782","0.0006","7.2762","0.0002","13.9814","0.0006","90","","102.701","0.002","90","","1585.71","0.1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 F6 -","- C44 H26 F6 -","- C88 H52 F12 -","2","0.5","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.0763","0.0659","","","0.1299","0.1354","","","","","","1.108","","","","has coordinates","218083","2020-10-21","18:00:00",""
"7233704","14.9125","0.0006","7.1151","0.0002","14.4263","0.0004","90","","98.099","0.002","90","","1515.42","0.09","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 N2 -","- C44 H26 N2 -","- C88 H52 N4 -","2","0.5","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.1016","0.0665","","","0.1352","0.1538","","","","","","1.038","","","","has coordinates","218084","2020-10-21","18:00:00",""
"7233705","13.5679","0.0005","7.0143","0.0002","14.302","0.0007","90","","103.954","0.002","90","","1320.94","0.09","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 S2 -","- C38 H24 S2 -","- C76 H48 S4 -","2","0.5","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.0897","0.0687","","","0.1501","0.1625","","","","","","1.1","","","","has coordinates,has disorder","218085","2020-10-21","18:00:00",""
"7233706","10.5166","0.0002","17.9901","0.0004","15.66","0.0004","90","","105.549","0.001","90","","2854.36","0.11","253","2","253","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H25 Cl S2 -","- C38 H25 Cl S2 -","- C152 H100 Cl4 S8 -","4","1","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.053","0.0459","","","0.108","0.1131","","","","","","1.014","","","","has coordinates,has disorder","218086","2020-10-21","18:00:00",""
"7233707","9.4762","0.0002","11.5861","0.0004","13.4449","0.0005","82.999","0.009","79.945","0.008","77.745","0.008","1414.82","0.1","203","","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H25 Cl S2 -","- C38 H25 Cl S2 -","- C76 H50 Cl2 S4 -","2","1","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.1424","0.0737","","","0.1455","0.1773","","","","","","1.016","","","","has coordinates,has disorder","218087","2020-10-21","18:00:00",""
"7233708","9.2392","0.0002","20.2271","0.0003","15.5813","0.0004","90","","103.638","0.001","90","","2829.77","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H25 Cl S2 -","- C38 H25 Cl S2 -","- C152 H100 Cl4 S8 -","4","1","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.0773","0.0592","","","0.1231","0.1319","","","","","","1.103","","","","has coordinates,has disorder","218088","2020-10-21","18:00:00",""
"7233709","16.3862","0.001","8.9089","0.0006","19.3895","0.0014","90","","98.168","0.003","90","","2801.8","0.3","253","2","253","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H23 Cl S2 -","- C38 H23 Cl S2 -","- C152 H92 Cl4 S8 -","4","1","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.0948","0.0704","","","0.1477","0.1701","","","","","","1.147","","","","has coordinates","218089","2020-10-21","18:00:00",""
"7233710","11.518","0.0006","6.0678","0.0003","20.8427","0.001","90","","93.276","0.003","90","","1454.29","0.13","253","2","253","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H26 S2 -","- C38 H26 S2 -","- C76 H52 S4 -","2","1","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.1057","0.0704","","","0.1454","0.1679","","","","","","1.055","","","","has coordinates,has disorder","218090","2020-10-21","18:00:00",""
"7233711","15.0983","0.0003","7.1706","0.0002","14.2489","0.0005","90","","100.616","0.001","90","","1516.24","0.07","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 N2 O4 -","- C42 H26 N2 O4 -","- C84 H52 N4 O8 -","2","0.5","","S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella","Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives","Journal of Materials Chemistry C","2014","2","","4147","4155","10.1039/C3TC32527J","","","0.71075","MoKα","","0.0853","0.0673","","","0.1439","0.1543","","","","","","1.068","","","","has coordinates","218091","2020-10-21","18:00:00",""
"7233712","9.7817","0.0003","13.874","0.0005","16.008","0.0005","106.112","0.001","91.443","0.001","92.93","0.001","2082.65","0.12","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","","","- C62 H40 -","- C62 H40 -","- C124 H80 -","2","1","","Sebastien Thiery; Denis Tondelier; Celine Declairieux; Gijun Seo; Bernard Geffroy; Olivier Jeannin; Joelle Rault-Berthelot; Remi Metivier; Cyril Poriel","9,9'-Spirobifluorene and 4-phenyl-9,9'-spirobifluorene: pure hydrocarbon small molecules as hosts for efficient green and blue PhOLEDs","Journal of Materials Chemistry C","2014","2","","4156","4166","10.1039/C4TC00171K","","x-ray","0.71073","MoKα","","0.066","0.0581","","","0.1549","0.1676","","","","","","1.057","","","","has coordinates","218092","2020-10-21","18:00:00",""
"7233713","7.551","0.0004","16.9848","0.0007","7.8364","0.0004","90","","104.798","0.003","90","","971.7","0.08","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 Cl Cu3 N2 S2 -","- C4 H12 Cl Cu3 N2 S2 -","- C16 H48 Cl4 Cu12 N8 S8 -","4","0.5","","Ma, Lun; Chen, Wei; Schatte, Gabriele; Wang, Wei; Joly, Alan G.; Huang, Yining; Sammynaiken, Ramaswami; Hossu, Marius","A new Cu–cysteamine complex: structure and optical properties","Journal of Materials Chemistry C","2014","2","21","4239","4246","10.1039/c4tc00114a","","","0.71073","MoKα","","0.0488","0.0328","","","0.0698","0.0779","","","","","","1.063","","","","has coordinates","275242","2022-05-09","01:01:51",""
"7233714","11.195","0.004","11.195","0.004","7.263","0.006","90","","90","","120","","788.3","0.8","296","2","296","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- B3 Ba7 Cl O13 Si -","- B3 Ba7 Cl O13 Si -","- B6 Ba14 Cl2 O26 Si2 -","2","0.166667","","Xiaoxia Lin; Fangfang Zhang; Shilie Pan; Hongwei Yu; Fangyuan Zhang; Xiaoyu Dong; Shujuan Han; Lingyun Dong; Chunyan Bai; Zheng Wang","Ba4(BO3)3(SiO4).Ba3X (X = Cl, Br): new salt-inclusion borosilicate halides as potential deep UV nonlinear optical materials","Journal of Materials Chemistry C","2014","2","","4257","4264","10.1039/C4TC00079J","","","0.71073","MoKα","","0.0261","0.0248","","","0.0644","0.065","","","","","","1.167","","","","has coordinates,has disorder","218094","2020-10-21","18:00:00",""
"7233715","11.279","0.003","11.279","0.003","7.324","0.004","90","","90","","120","","806.9","0.5","296","2","296","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- B3 Ba7 Br O13 Si -","- B3 Ba7 Br O13 Si -","- B6 Ba14 Br2 O26 Si2 -","2","0.166667","","Xiaoxia Lin; Fangfang Zhang; Shilie Pan; Hongwei Yu; Fangyuan Zhang; Xiaoyu Dong; Shujuan Han; Lingyun Dong; Chunyan Bai; Zheng Wang","Ba4(BO3)3(SiO4).Ba3X (X = Cl, Br): new salt-inclusion borosilicate halides as potential deep UV nonlinear optical materials","Journal of Materials Chemistry C","2014","2","","4257","4264","10.1039/C4TC00079J","","","0.71073","MoKα","","0.0365","0.0322","","","0.0655","0.0684","","","","","","1.103","","","","has coordinates","218095","2020-10-21","18:00:00",""
"7233716","6.2448","0.0016","11.883","0.003","14.808","0.005","90","","100.99","0.03","90","","1078.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 N2 O2 -","- C30 H20 N2 O2 -","- C60 H40 N4 O4 -","2","0.5","","David Gendron; Eliot Gann; Katherine Pattison; Fatemeh Maasoumi; Christopher R. McNeill; Scott E. Watkins; Paul L. Burn; Benjamin J. Powell; Paul E. Shaw","Synthesis and properties of pyrrolo[3,2-b]pyrrole-1,4-diones (isoDPP) derivatives","Journal of Materials Chemistry C","2014","2","","4276","4288","10.1039/C4TC00427B","","","0.71073","MoKα","","0.1017","0.0568","","","0.1003","0.1183","","","","","","1.039","","","","has coordinates","218096","2020-10-21","18:00:00",""
"7233717","12.2888","0.0014","5.8588","0.0005","14.7622","0.0015","90","","107.799","0.011","90","","1011.97","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N2 O2 S2 -","- C26 H16 N2 O2 S2 -","- C52 H32 N4 O4 S4 -","2","0.5","","David Gendron; Eliot Gann; Katherine Pattison; Fatemeh Maasoumi; Christopher R. McNeill; Scott E. Watkins; Paul L. Burn; Benjamin J. Powell; Paul E. Shaw","Synthesis and properties of pyrrolo[3,2-b]pyrrole-1,4-diones (isoDPP) derivatives","Journal of Materials Chemistry C","2014","2","","4276","4288","10.1039/C4TC00427B","","","1.5418","CuKα","","0.0388","0.0344","","","0.0903","0.0941","","","","","","1.094","","","","has coordinates,has disorder","218097","2020-10-21","18:00:00",""
"7233718","5.7794","0.0004","13.9768","0.0009","20.7994","0.0011","90","","96.686","0.006","90","","1668.7","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 N2 O4 S2 -","- C38 H40 N2 O4 S2 -","- C76 H80 N4 O8 S4 -","2","0.5","","David Gendron; Eliot Gann; Katherine Pattison; Fatemeh Maasoumi; Christopher R. McNeill; Scott E. Watkins; Paul L. Burn; Benjamin J. Powell; Paul E. Shaw","Synthesis and properties of pyrrolo[3,2-b]pyrrole-1,4-diones (isoDPP) derivatives","Journal of Materials Chemistry C","2014","2","","4276","4288","10.1039/C4TC00427B","","","1.5418","CuKα","","0.0503","0.0421","","","0.101","0.1072","","","","","","1.038","","","","has coordinates,has disorder","218098","2020-10-21","18:00:00",""
"7233719","12.7827","0.0012","12.9142","0.001","16.2498","0.0011","92.293","0.006","107.582","0.007","112.892","0.008","2317.6","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","2","","Carrie Y. K. Chan; Jacky W. Y. Lam; Zujin Zhao; Shuming Chen; Ping Lu; Herman H. Y. Sung; Hoi Sing Kwok; Yuguang Ma; Ian D. Williams; Ben Zhong Tang","Aggregation-induced emission, mechanochromism and blue electroluminescence of carbazole and triphenylamine-substituted ethenes","Journal of Materials Chemistry C","2014","2","","4320","4327","10.1039/C4TC00097H","","","1.54178","CuKα","","0.0829","0.0447","","","0.0765","0.0817","","","","","","1.014","","","","has coordinates","218099","2020-10-21","18:00:00",""
"7233720","12.5655","0.0005","8.9233","0.0003","14.0093","0.0005","90","","114.622","0.004","90","","1427.98","0.1","143","","143","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H35 N -","- C38 H35 N -","- C76 H70 N2 -","2","1","","Carrie Y. K. Chan; Jacky W. Y. Lam; Zujin Zhao; Shuming Chen; Ping Lu; Herman H. Y. Sung; Hoi Sing Kwok; Yuguang Ma; Ian D. Williams; Ben Zhong Tang","Aggregation-induced emission, mechanochromism and blue electroluminescence of carbazole and triphenylamine-substituted ethenes","Journal of Materials Chemistry C","2014","2","","4320","4327","10.1039/C4TC00097H","","x-ray","1.5418","CuKα","","0.0547","0.0523","","","0.1404","0.143","","","","","","1.054","","","","has coordinates,has disorder","218100","2020-10-21","18:00:00",""
"7233721","10.923","0.0006","11.5156","0.0006","12.0082","0.0007","98.178","0.004","98.136","0.005","108.704","0.005","1387.63","0.14","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H29 N -","- C38 H29 N -","- C76 H58 N2 -","2","1","","Carrie Y. K. Chan; Jacky W. Y. Lam; Zujin Zhao; Shuming Chen; Ping Lu; Herman H. Y. Sung; Hoi Sing Kwok; Yuguang Ma; Ian D. Williams; Ben Zhong Tang","Aggregation-induced emission, mechanochromism and blue electroluminescence of carbazole and triphenylamine-substituted ethenes","Journal of Materials Chemistry C","2014","2","","4320","4327","10.1039/C4TC00097H","","x-ray","1.5418","CuKα","","0.0518","0.0472","","","0.1322","0.1373","","","","","","0.991","","","","has coordinates","218101","2020-10-21","18:00:00",""
"7233722","21.8054","0.0012","9.0383","0.0003","49.995","0.003","90","","96.591","0.004","90","","9788.1","0.9","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C78 H56 Eu2 N2 O16 -","- C78 H52 Eu2 N2 O16 -","- C312 H208 Eu8 N8 O64 -","4","1","","Yan-Ping He; Yan-Xi Tan; Jian Zhang","Guest inducing fluorescence switching in lanthanide-tris((4-carboxyl)phenylduryl)amine frameworks integrating porosity and flexibility","Journal of Materials Chemistry C","2014","2","","4436","4441","10.1039/C4TC00329B","","","0.71073","MoKα","","0.104","0.0754","","","0.1748","0.1885","","","","","","0.952","","","","has coordinates","218102","2020-10-21","18:00:00",""
"7233733","13.338","0.011","9.59","0.008","13.46","0.011","90","","95.853","0.009","90","","1713","2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H29 F4 Ir N4 O2 -","- C41 H29 F4 Ir N4 O2 -","- C82 H58 F8 Ir2 N8 O4 -","2","1","","Enrico Marchi; Mirko Locritani; Massimo Baroncini; Giacomo Bergamini; Riccardo Sinisi; Magda Monari; Chiara Botta; Wojciech Mroz; Marco Bandini; Paola Ceroni; Vincenzo Balzani","Blue and highly emitting [Ir(IV)] complexes by an efficient photoreaction of yellow luminescent [Ir(III)] complexes","Journal of Materials Chemistry C","2014","2","","4461","4467","10.1039/C4TC00278D","","","0.71073","MoKα","","0.1142","0.0908","","","0.2074","0.2193","","","","","","1.174","","","","has coordinates","218121","2020-10-21","18:00:00",""
"7233734","9.9118","0.0004","18.8734","0.0009","15.8937","0.0007","90","","102.641","0.001","90","","2901.2","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Cl2 F4 Ir N4 O2 -","- C30 H23 Cl2 F4 Ir N4 O2 -","- C120 H92 Cl8 F16 Ir4 N16 O8 -","4","1","","Enrico Marchi; Mirko Locritani; Massimo Baroncini; Giacomo Bergamini; Riccardo Sinisi; Magda Monari; Chiara Botta; Wojciech Mroz; Marco Bandini; Paola Ceroni; Vincenzo Balzani","Blue and highly emitting [Ir(IV)] complexes by an efficient photoreaction of yellow luminescent [Ir(III)] complexes","Journal of Materials Chemistry C","2014","2","","4461","4467","10.1039/C4TC00278D","","","0.71073","MoKα","","0.041","0.025","","","0.0587","0.0648","","","","","","1.019","","","","has coordinates","218122","2020-10-21","18:00:00",""
"7233735","9.7653","0.0002","9.7653","0.0002","12.0581","0.0003","90","","90","","120","","995.82","0.04","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- Ba4 Cl Ge3 Na S10 -","- Ba4 Cl Ge3 Na S10 -","- Ba8 Cl2 Ge6 Na2 S20 -","2","0.333333","","Kai Feng; Lei Kang; Zheshuai Lin; Jiyong Yao; Yicheng Wu","Noncentrosymmetric chalcohalide NaBa4Ge3S10Cl with large band gap and IR NLO response","Journal of Materials Chemistry C","2014","2","","4590","4596","10.1039/C4TC00060A","","","0.71073","MoKα","","0.0456","0.0424","","","0.1189","0.1245","","","","","","0.948","","","","has coordinates","218123","2020-10-21","18:00:00",""
"7233736","34.953","0.002","23.0357","0.0014","33.652","0.002","90","","104.105","0.003","90","","26279","3","199","2","199","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H54 Mn Mo6 N6 O30 -","- C53 H54 Mn Mo6 N6 O30 -","- C424 H432 Mn8 Mo48 N48 O240 -","8","1","","Ali Saad; Olivier Oms; Jerome Marrot; Anne Dolbecq; Khadija Hakouk; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt; Damien Garrot; Kamel Boukheddaden; Rongji Liu; Guangjin Zhang; Bineta Keita; Pierre Mialane","Design and optical investigations of a spironaphthoxazine/polyoxometalate/spiropyran triad","Journal of Materials Chemistry C","2014","2","","4748","4758","10.1039/C4TC00378K","","","0.71073","MoKα","","0.1764","0.0857","","","0.2228","0.2537","","","","","","0.859","","","","has coordinates","218124","2020-10-21","18:00:00",""
"7233737","34.7751","0.0015","23.3403","0.001","33.6814","0.0014","90","","103.352","0.002","90","","26599","2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Mn Mo6 N6 O28 -","- C56 H56 Mn Mo6 N6 O28 -","- C448 H448 Mn8 Mo48 N48 O224 -","8","1","","Ali Saad; Olivier Oms; Jerome Marrot; Anne Dolbecq; Khadija Hakouk; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt; Damien Garrot; Kamel Boukheddaden; Rongji Liu; Guangjin Zhang; Bineta Keita; Pierre Mialane","Design and optical investigations of a spironaphthoxazine/polyoxometalate/spiropyran triad","Journal of Materials Chemistry C","2014","2","","4748","4758","10.1039/C4TC00378K","","","0.71073","MoKα","","0.1246","0.092","","","0.296","0.3079","","","","","","1.087","","","","has coordinates","218125","2020-10-21","18:00:00",""
"7233738","11.459","0.002","5.9687","0.001","20.744","0.004","90","","93.659","0.003","90","","1415.9","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H26 S2 -","- C38 H26 S2 -","- C76 H52 S4 -","2","1","","Xiaotao Zhang; Xiuqiang Lu; Yonggang Zhen; Jie Liu; Huanli Dong; Guangyao Zhao; Ping He; Zongrui Wang; Lang Jiang; Wenping Hu","Synthesis and aggregation-induced emissions of thienyl substituted cyclobutene derivatives","Journal of Materials Chemistry C","2014","2","","5083","5086","10.1039/C4TC00221K","","","0.71073","MoKα","","0.0588","0.0563","","","0.146","0.149","","","","","","1.053","","","","has coordinates,has disorder","218126","2020-10-21","18:00:00",""
"7233739","11.1429","0.0004","14.0177","0.0004","14.2677","0.0005","73.452","0.001","68.556","0.001","69.722","0.001","1913.58","0.11","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C42 H38 B2 F4 O8 -","- C42 H38 B2 F4 O8 -","- C84 H76 B4 F8 O16 -","2","1","","Anthony D'Aleo; Abdellah Felouat; Vasile Heresanu; Alain Ranguis; Damien Chaudanson; Artak Karapetyan; Michel Giorgi; Frederic Fages","Two-photon excited fluorescence of BF2 complexes of curcumin analogues: toward NIR-to-NIR fluorescent organic nanoparticles","Journal of Materials Chemistry C","2014","2","","5208","5215","10.1039/C4TC00543K","","x-ray","0.71073","MoKα","","0.1912","0.0792","","","0.2264","0.308","","","","","","1.069","","","","has coordinates","218127","2020-10-21","18:00:00",""
"7233740","7.594","0.005","5.874","0.004","41.51","0.03","90","","94.302","0.008","90","","1846","2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 F4 N -","- C24 H19 F4 N -","- C96 H76 F16 N4 -","4","1","","Chiara Botta; Elena Cariati; Gabriella Cavallo; Valentina Dichiarante; Alessandra Forni; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati; Stefania Righetto; Giancarlo Terraneo; Elisa Tordin","Fluorine-induced J-aggregation enhances emissive properties of a new NLO push-pull chromophore","Journal of Materials Chemistry C","2014","2","","5275","5279","10.1039/C4TC00665H","","","0.71073","MoKα","","0.1646","0.1134","","","0.2673","0.2943","","","","","","1.072","","","","has coordinates","218128","2020-10-21","18:00:00",""
"7233741","11.3066","0.0015","32.677","0.004","8.6138","0.0012","90","","90","","90","","3182.5","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","[(ppy)2Ir(tBuN)2CPh]","","","- C37 H39 Ir N4 -","- C37 H39 Ir N4 -","- C148 H156 Ir4 N16 -","4","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Substituent effect on the electroluminescence efficiency of amidinate-ligated bis(pyridylphenyl) iridium(III) complexes","Journal of Materials Chemistry C","2014","2","","5317","5326","10.1039/C3TC32553A","","","0.71073","MoKα","","0.0367","0.0296","","","0.0599","0.0617","","","","","","1.018","","","","has coordinates","218129","2020-10-21","18:00:00",""
"7233742","11.359","0.005","24.368","0.011","23.379","0.011","90","","97.568","0.008","90","","6415","5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(ppy)2Ir(tBuN)(EtN)CPh]","","","- C77 H78 Ir2 N8 -","- C77 H78 Ir2 N8 -","- C308 H312 Ir8 N32 -","4","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Substituent effect on the electroluminescence efficiency of amidinate-ligated bis(pyridylphenyl) iridium(III) complexes","Journal of Materials Chemistry C","2014","2","","5317","5326","10.1039/C3TC32553A","","","0.71073","MoKα","","0.1105","0.0511","","","0.0779","0.0859","","","","","","0.801","","","","has coordinates,has disorder","218130","2020-10-21","18:00:00",""
"7233743","16.198","0.009","18.41","0.01","10.788","0.006","90","","101.611","0.008","90","","3151","3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","[(ppy)2Ir(Me2NpropylN)(EtN)CPh]","","","- C36 H38 Ir N5 -","- C36 H38 Ir N5 -","- C144 H152 Ir4 N20 -","4","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Substituent effect on the electroluminescence efficiency of amidinate-ligated bis(pyridylphenyl) iridium(III) complexes","Journal of Materials Chemistry C","2014","2","","5317","5326","10.1039/C3TC32553A","","","0.71073","MoKα","","0.0573","0.0425","","","0.058","0.0603","","","","","","0.814","","","","has coordinates","218131","2020-10-21","18:00:00",""
"7233744","13.109","0.003","12.646","0.003","20.478","0.004","90","","90","","90","","3394.8","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 B F2 N2 -","- C19 H19 B F2 N2 -","- C152 H152 B8 F16 N16 -","8","1","","Cui-Lian Liu; Yong Chen; Deepak P. Shelar; Cong Li; Gang Cheng; Wen-Fu Fu","Bodipy dyes bearing oligo(ethylene glycol) groups on the meso-phenyl ring: tuneable solid-state photoluminescence and highly efficient OLEDs","Journal of Materials Chemistry C","2014","2","","5471","5478","10.1039/C4TC00720D","","","0.71073","MoKα","","0.0874","0.0638","","","0.1666","0.1885","","","","","","1.035","","","","has coordinates","218132","2020-10-21","18:00:00",""
"7233745","8.0768","0.0016","9.6024","0.0019","24.077","0.005","90","","90","","90","","1867.3","0.7","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 B F2 N2 O -","- C21 H23 B F2 N2 O -","- C84 H92 B4 F8 N8 O4 -","4","1","","Cui-Lian Liu; Yong Chen; Deepak P. Shelar; Cong Li; Gang Cheng; Wen-Fu Fu","Bodipy dyes bearing oligo(ethylene glycol) groups on the meso-phenyl ring: tuneable solid-state photoluminescence and highly efficient OLEDs","Journal of Materials Chemistry C","2014","2","","5471","5478","10.1039/C4TC00720D","","","0.71073","MoKα","","0.0372","0.032","","","0.0743","0.0768","","","","","","1.079","","","","has coordinates","218133","2020-10-21","18:00:00",""
"7233746","13.111","0.003","10.49","0.002","16.055","0.003","90","","111.21","0.03","90","","2058.5","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 B F2 N2 O2 -","- C23 H27 B F2 N2 O2 -","- C92 H108 B4 F8 N8 O8 -","4","1","","Cui-Lian Liu; Yong Chen; Deepak P. Shelar; Cong Li; Gang Cheng; Wen-Fu Fu","Bodipy dyes bearing oligo(ethylene glycol) groups on the meso-phenyl ring: tuneable solid-state photoluminescence and highly efficient OLEDs","Journal of Materials Chemistry C","2014","2","","5471","5478","10.1039/C4TC00720D","","","0.71073","MoKα","","0.0808","0.0567","","","0.1711","0.186","","","","","","1.127","","","","has coordinates,has disorder","218134","2020-10-21","18:00:00",""
"7233747","7.9161","0.0016","12.051","0.002","12.96","0.003","73.25","0.03","77.85","0.03","85.14","0.03","1157","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H31 B F2 N2 O3 -","- C25 H31 B F2 N2 O3 -","- C50 H62 B2 F4 N4 O6 -","2","1","","Cui-Lian Liu; Yong Chen; Deepak P. Shelar; Cong Li; Gang Cheng; Wen-Fu Fu","Bodipy dyes bearing oligo(ethylene glycol) groups on the meso-phenyl ring: tuneable solid-state photoluminescence and highly efficient OLEDs","Journal of Materials Chemistry C","2014","2","","5471","5478","10.1039/C4TC00720D","","","0.71073","MoKα","","0.0649","0.038","","","0.0895","0.097","","","","","","1.132","","","","has coordinates","218135","2020-10-21","18:00:00",""
"7233748","17.906","0.005","21.419","0.005","19.917","0.005","90","0.005","107.658","0.005","90","0.005","7279","3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H37 La2 O29 -","- C24 H12 La2 O29 -","- C192 H96 La16 O232 -","8","2","","X. Fan; S. Freslon; C. Daiguebonne; G. Calvez; L. Le Polles; K. Bernot; O. Guillou","Heteronuclear lanthanide-based coordination polymers exhibiting tunable multiple emission spectra","Journal of Materials Chemistry C","2014","2","","5510","5525","10.1039/C4TC00506F","","x-ray","0.71069","MoKα","","0.0864","0.0409","","","0.0875","0.1107","","","","","","1.132","","","","has coordinates","218136","2020-10-21","18:00:00",""
"7233749","9.6447","0.0009","23.9","0.003","27.692","0.003","90","","91.735","0.008","90","","6380.3","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 B F2 N6 O8 -","- C28 H26 B F2 N6 O8 -","- C224 H208 B8 F16 N48 O64 -","8","1","","Vellanki Lakshmi; Mangalampalli Ravikanth","Boron-dipyrromethene based multi-anionic sensor and a specific cationic sensor for Fe3+","Journal of Materials Chemistry C","2014","2","","5576","5586","10.1039/C4TC00317A","","","0.71073","MoKα","","0.2179","0.0636","","","0.1574","0.1861","","","","","","0.742","","","","has coordinates","218137","2020-10-21","18:00:00",""
"7233750","9.007","0.002","9.991","0.003","23.493","0.006","90","","90","","90","","2114.1","1","293","2","293","2","","","","","","","","2","P b n a","-P 2ac 2b","60","","","","- C15 H11 -","- C15 H11 -","- C120 H88 -","8","1","","Hua Wang; Yan Liang; Huanling Xie; Linglong Feng; Haifeng Lu; Shengyu Feng","Emission enhancement and color adjustment of silicon-cored structure in tetraphenyl benzene with aggregation-enhanced emission","Journal of Materials Chemistry C","2014","2","","5601","5606","10.1039/C4TC00570H","","","0.71073","MoKα","","0.0493","0.0384","","","0.0883","0.0964","","","","","","1.059","","","","has coordinates","218138","2020-10-21","18:00:00",""
"7233751","10.355","0.015","12","0.017","12.897","0.018","63.27","0.02","68.47","0.03","65.42","0.02","1269","3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C36 H26 -","- C36 H26 -","- C72 H52 -","2","1","","Hua Wang; Yan Liang; Huanling Xie; Linglong Feng; Haifeng Lu; Shengyu Feng","Emission enhancement and color adjustment of silicon-cored structure in tetraphenyl benzene with aggregation-enhanced emission","Journal of Materials Chemistry C","2014","2","","5601","5606","10.1039/C4TC00570H","","","0.71073","MoKα","","0.1857","0.092","","","0.2394","0.3151","","","","","","0.96","","","","has coordinates","218139","2020-10-21","18:00:00",""
"7233752","11.607","0.004","12.911","0.004","19.928","0.007","84.703","0.006","79.983","0.006","64.604","0.006","2656.1","1.6","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C72 H52 Si -","- C72 H52 Si -","- C144 H104 Si2 -","2","1","","Hua Wang; Yan Liang; Huanling Xie; Linglong Feng; Haifeng Lu; Shengyu Feng","Emission enhancement and color adjustment of silicon-cored structure in tetraphenyl benzene with aggregation-enhanced emission","Journal of Materials Chemistry C","2014","2","","5601","5606","10.1039/C4TC00570H","","","0.71073","MoKα","","0.0999","0.0584","","","0.1314","0.156","","","","","","1.012","","","","has coordinates","218140","2020-10-21","18:00:00",""
"7233767","18.696","0.002","5.148","0.0007","12.7045","0.0018","90","","90","","90","","1222.8","0.3","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","","M. Lozano Gonzalez; M. E. Sanchez-Vergara; J. R. Alvarez-Bada; M. I. Chavez-Uribe; Ruben A. Toscano; C. Alvarez-Toledano","Synthesis and optical properties of iron(III) complexes of 2- benzylidene-1-indanone derivative thin films","Journal of Materials Chemistry C","2014","2","","5607","5614","10.1039/C4TC00599F","","","0.71073","MoKα","","0.1246","0.052","","","0.0951","0.1227","","","","","","0.992","","","","has coordinates,has disorder","218164","2020-10-21","18:00:00",""
"7233768","14.6288","0.0014","14.6288","0.0014","33.985","0.003","90","","90","","120","","6298.5","1","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C51 H39 Fe O9 -","- C51 H39 Fe O9 -","- C306 H234 Fe6 O54 -","6","0.333333","","M. Lozano Gonzalez; M. E. Sanchez-Vergara; J. R. Alvarez-Bada; M. I. Chavez-Uribe; Ruben A. Toscano; C. Alvarez-Toledano","Synthesis and optical properties of iron(III) complexes of 2- benzylidene-1-indanone derivative thin films","Journal of Materials Chemistry C","2014","2","","5607","5614","10.1039/C4TC00599F","","","0.71073","MoKα","","0.1346","0.0601","","","0.1289","0.1614","","","","","","1.012","","","","has coordinates","218165","2020-10-21","18:00:00",""
"7233769","13.0465","0.0003","14.1234","0.0003","15.2036","0.0003","97.5266","0.0016","92.1596","0.0016","105.396","0.0017","2669.92","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H60 N8 O4 -","- C66 H60 N8 O4 -","- C132 H120 N16 O8 -","2","1","","Huawei Sun; Yi Zhang; Wei Yan; Wenxin Chen; Qi Lan; Siwei Liu; Long Jiang; Zhenguo Chi; Xudong Chen; Jiarui Xu","A novel ultrasound-sensitive mechanofluorochromic AIE-compound with remarkable blue-shifting and enhanced emission","Journal of Materials Chemistry C","2014","2","","5812","5817","10.1039/C4TC00553H","","","1.54184","CuKα","","0.0542","0.0482","","","0.1298","0.1366","","","","","","1.017","","","","has coordinates","218166","2020-10-21","18:00:00",""
"7233770","23.0227","0.0011","7.5756","0.0003","16.2346","0.0006","90","","97.316","0.005","90","","2808.4","0.2","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C156 H108 O12 -","6","1.5","","Jin-Xing Qiu; Ye-Xin Li; Xiao-Feng Yang; Yong Nie; Zhen-Wei Zhang; Zhong-He Chen; Guo-Xin Sun","Substitution degree engineering the crystal packing and optoelectronic properties of benzofuranvinyl-substituted benzene-cored derivatives","Journal of Materials Chemistry C","2014","2","","5954","5962","10.1039/C4TC00220B","","","0.7107","MoKα","","0.0858","0.0527","","","0.1213","0.1424","","","","","","1.052","","","","has coordinates","218167","2020-10-21","18:00:00",""
"7233771","4.30313","0.00016","23.6764","0.0009","25.1955","0.0009","90","","90","","90","","2566.98","0.16","174","70","174","70","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H24 O3 -","- C36 H24 O3 -","- C144 H96 O12 -","4","1","","Jin-Xing Qiu; Ye-Xin Li; Xiao-Feng Yang; Yong Nie; Zhen-Wei Zhang; Zhong-He Chen; Guo-Xin Sun","Substitution degree engineering the crystal packing and optoelectronic properties of benzofuranvinyl-substituted benzene-cored derivatives","Journal of Materials Chemistry C","2014","2","","5954","5962","10.1039/C4TC00220B","","","1.5418","CuKα","","0.1454","0.0985","","","0.2492","0.2878","","","","","","1.061","","","","has coordinates","218168","2020-10-21","18:00:00",""
"7233772","33.8575","0.0016","12.0256","0.0006","8.0009","0.0005","90","","90","","90","","3257.6","0.3","293","2","293.15","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C46 H30 O4 -","- C46 H30 O4 -","- C184 H120 O16 -","4","0.5","","Jin-Xing Qiu; Ye-Xin Li; Xiao-Feng Yang; Yong Nie; Zhen-Wei Zhang; Zhong-He Chen; Guo-Xin Sun","Substitution degree engineering the crystal packing and optoelectronic properties of benzofuranvinyl-substituted benzene-cored derivatives","Journal of Materials Chemistry C","2014","2","","5954","5962","10.1039/C4TC00220B","","","1.5418","CuKα","","0.123","0.094","","","0.2263","0.273","","","","","","1.014","","","","has coordinates","218169","2020-10-21","18:00:00",""
"7233773","15.1324","0.0005","19.6891","0.0007","9.9117","0.0003","90","","90","","90","","2953.12","0.17","173","2","173","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C31 H33 Ir N4 O6 -","- C31 H33 Ir N4 O6 -","- C124 H132 Ir4 N16 O24 -","4","0.5","","Jieun Lee; Hankook Oh; Jinho Kim; Ki-Min Park; Kyoung Soo Yook; Jun Yeob Lee; Youngjin Kang","Fluorine-free blue phosphorescent emitters for efficient phosphorescent organic light emitting diodes","Journal of Materials Chemistry C","2014","2","","6040","6047","10.1039/C4TC00715H","","","0.71073","MoKα","","0.0278","0.0203","","","0.0504","0.0547","","","","","","1.055","","","","has coordinates","218171","2020-10-21","18:00:00",""
"7233774","14.8259","0.0015","15.427","0.0015","16.4898","0.0016","87.206","0.005","77.253","0.004","71.403","0.004","3485.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Ir N5 O8 -","- C36 H38 Ir N5 O8 -","- C144 H152 Ir4 N20 O32 -","4","2","","Jieun Lee; Hankook Oh; Jinho Kim; Ki-Min Park; Kyoung Soo Yook; Jun Yeob Lee; Youngjin Kang","Fluorine-free blue phosphorescent emitters for efficient phosphorescent organic light emitting diodes","Journal of Materials Chemistry C","2014","2","","6040","6047","10.1039/C4TC00715H","","","0.71073","MoKα","","0.0515","0.0327","","","0.0651","0.0728","","","","","","1.007","","","","has coordinates,has disorder","218172","2020-10-21","18:00:00",""
"7233775","14.6133","0.0004","4.78734","0.00011","17.2977","0.0004","90","","105.582","0.003","90","","1165.65","0.05","293.5","0.2","293.5","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 Fe N8 -","- C32 H16 Fe N8 -","- C64 H32 Fe2 N16 -","2","0.5","","L. A. Rochford; D. S. Keeble; O. J. Holmes; G. J. Clarkson; T. S. Jones","Controlling templating effects at the organic/inorganic interface using (111) oriented copper iodide","Journal of Materials Chemistry C","2014","2","","6056","6060","10.1039/C4TC00759J","","","0.71073","MoKα","","0.0747","0.0513","","","0.1118","0.1227","","","","","","1.058","","","","has coordinates","218173","2020-10-21","18:00:00",""
"7233776","20.1093","0.0005","4.6783","0.0001","14.0181","0.0004","90","","95.877","0.001","90","","1311.85","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H10 Br2 F12 N2 -","- C28 H10 Br2 F12 N2 -","- C56 H20 Br4 F24 N4 -","2","0.5","","Seong Gi Jo; Dong Hyuk Park; Bong-Gi Kim; Sungbaek Seo; Suk Joong Lee; Jeongyong Kim; Jinsang Kim; Jinsoo Joo","Dual-mode waveguiding of Raman and luminescence signals in a crystalline organic microplate","Journal of Materials Chemistry C","2014","2","","6077","6083","10.1039/C4TC00409D","","","0.71073","MoKα","","0.0233","0.02","","","0.0513","0.0524","","","","","","1.068","","","","has coordinates","218174","2020-10-21","18:00:00",""
"7233777","12.30304","","7.10454","","11.71603","","90","","134.442","","90","","731.143","","294","","294","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba Ca6 O17 P4 -","- Ba Ca6 O17 P4 -","- Ba2 Ca12 O34 P8 -","2","0.25","","Naoyuki Komuro; Masayoshi Mikami; Yasuo Shimomura; Erica G. Bithell; Anthony K. Cheetham","Synthesis, structure and optical properties of europium doped calcium barium phosphate - a novel phosphor for solid-state lighting","Journal of Materials Chemistry C","2014","2","","6084","6089","10.1039/C4TC00732H","powder diffraction","","0.82713","synchrotron","","","","","","","","","","","","","","","","","has coordinates","218175","2020-10-21","18:00:00",""
"7233778","9.7","0.008","8.569","0.006","17.378","0.014","90","","105.825","0.013","90","","1389.7","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Isopropylbenzylammonium Dichloroacetate","","","- C12 H17 Cl2 N O2 -","- C12 H17 Cl2 N O2 -","- C48 H68 Cl8 N4 O8 -","4","1","","Chengmin Ji; Zhihua Sun; Shu-Quan Zhang; Tianliang Chen; Pan Zhou; Yuanyuan Tang; Sangen Zhao; Junhua Luo","Switchable dielectric behaviour associated with above room-temperature phase transition in N-isopropylbenzylammonium dichloroacetate (N-IPBADC)","Journal of Materials Chemistry C","2014","2","","6134","6139","10.1039/C4TC00613E","","","0.71073","MoKα","","0.0722","0.0562","","","0.1507","0.1688","","","","","","1.086","","","","has coordinates","218176","2020-10-21","18:00:00",""
"7233779","9.7598","0.0003","8.5995","0.0002","17.5609","0.0006","90","","106.105","0.004","90","","1416.03","0.08","323","2","323","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Isopropylbenzylammonium Dichloroacetate","","","- C12 H17 Cl2 N O2 -","- C12 H17 Cl2 N O2 -","- C48 H68 Cl8 N4 O8 -","4","1","","Chengmin Ji; Zhihua Sun; Shu-Quan Zhang; Tianliang Chen; Pan Zhou; Yuanyuan Tang; Sangen Zhao; Junhua Luo","Switchable dielectric behaviour associated with above room-temperature phase transition in N-isopropylbenzylammonium dichloroacetate (N-IPBADC)","Journal of Materials Chemistry C","2014","2","","6134","6139","10.1039/C4TC00613E","","","0.71073","MoKα","","0.0879","0.0688","","","0.1916","0.2137","","","","","","1.073","","","","has coordinates","218177","2020-10-21","18:00:00",""
"7233780","9.7856","0.0005","8.6119","0.0003","17.6992","0.0011","90","","106.549","0.005","90","","1429.77","0.13","343","2","343","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Isopropylbenzylammonium Dichloroacetate","","","- C12 H17 Cl2 N O2 -","- C12 H17 Cl2 N O2 -","- C48 H68 Cl8 N4 O8 -","4","1","","Chengmin Ji; Zhihua Sun; Shu-Quan Zhang; Tianliang Chen; Pan Zhou; Yuanyuan Tang; Sangen Zhao; Junhua Luo","Switchable dielectric behaviour associated with above room-temperature phase transition in N-isopropylbenzylammonium dichloroacetate (N-IPBADC)","Journal of Materials Chemistry C","2014","2","","6134","6139","10.1039/C4TC00613E","","","0.71073","MoKα","","0.106","0.0824","","","0.2368","0.2664","","","","","","1.088","","","","has coordinates","218178","2020-10-21","18:00:00",""
"7233781","9.8256","0.0009","8.6329","0.0005","17.8841","0.0019","90","","107.061","0.008","90","","1450.2","0.2","358","2","358","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Isopropylbenzylammonium Dichloroacetate","","","- C12 H17 Cl2 N O2 -","- C12 H17 Cl2 N O2 -","- C48 H68 Cl8 N4 O8 -","4","1","","Chengmin Ji; Zhihua Sun; Shu-Quan Zhang; Tianliang Chen; Pan Zhou; Yuanyuan Tang; Sangen Zhao; Junhua Luo","Switchable dielectric behaviour associated with above room-temperature phase transition in N-isopropylbenzylammonium dichloroacetate (N-IPBADC)","Journal of Materials Chemistry C","2014","2","","6134","6139","10.1039/C4TC00613E","","","0.71073","MoKα","","0.081","0.0475","","","0.123","0.1526","","","","","","1.031","","","","has coordinates","218179","2020-10-21","18:00:00",""
"7233782","9.7987","0.0007","8.632","0.0004","17.8455","0.0015","90","","106.919","0.007","90","","1444.08","0.18","356","2","356","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Isopropylbenzylammonium Dichloroacetate","","","- C12 H17 Cl2 N O2 -","- C12 H17 Cl2 N O2 -","- C48 H68 Cl8 N4 O8 -","4","1","","Chengmin Ji; Zhihua Sun; Shu-Quan Zhang; Tianliang Chen; Pan Zhou; Yuanyuan Tang; Sangen Zhao; Junhua Luo","Switchable dielectric behaviour associated with above room-temperature phase transition in N-isopropylbenzylammonium dichloroacetate (N-IPBADC)","Journal of Materials Chemistry C","2014","2","","6134","6139","10.1039/C4TC00613E","","","0.71073","MoKα","","0.1167","0.0889","","","0.2759","0.3091","","","","","","1.102","","","","has coordinates","218180","2020-10-21","18:00:00",""
"7233783","9.4606","0.0008","19.8658","0.0017","12.577","0.0011","90","","107.686","0.002","90","","2252","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F6 N5 O5 Os -","- C19 H15 F6 N5 O5 Os -","- C76 H60 F24 N20 O20 Os4 -","4","1","","Jia-Ling Liao; Yun Chi; Yu-De Su; Hao-Xiang Huang; Chih-Hao Chang; Shih-Hung Liu; Gene-Hsiang Lee; Pi-Tai Chou","Os(II) metal phosphors bearing tridentate 2,6-di(pyrazol-3-yl)pyridine chelate: synthetic design, characterization and application in OLED fabrication","Journal of Materials Chemistry C","2014","2","","6269","6282","10.1039/C4TC00865K","","","0.71073","MoKα","","0.0357","0.0312","","","0.0784","0.0808","","","","","","1.064","","","","has coordinates","218181","2020-10-21","18:00:00",""
"7233784","20.3095","0.0011","18.5039","0.001","22.1017","0.0012","90","","114.965","0.0011","90","","7529.9","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 F6 N5 O Os P2 -","- C40 H31 F6 N5 O Os P2 -","- C320 H248 F48 N40 O8 Os8 P16 -","8","2","","Jia-Ling Liao; Yun Chi; Yu-De Su; Hao-Xiang Huang; Chih-Hao Chang; Shih-Hung Liu; Gene-Hsiang Lee; Pi-Tai Chou","Os(II) metal phosphors bearing tridentate 2,6-di(pyrazol-3-yl)pyridine chelate: synthetic design, characterization and application in OLED fabrication","Journal of Materials Chemistry C","2014","2","","6269","6282","10.1039/C4TC00865K","","","0.71073","MoKα","","0.0378","0.0308","","","0.0658","0.0684","","","","","","1.069","","","","has coordinates,has disorder","218182","2020-10-21","18:00:00",""
"7233785","12.6562","0.0006","14.183","0.0007","14.3426","0.0007","67.874","0.001","82.5019","0.0011","67.827","0.001","2208.37","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H40 F6 N6 O2 Os P2 -","- C48 H40 F6 N6 O2 Os P2 -","- C96 H80 F12 N12 O4 Os2 P4 -","2","1","","Jia-Ling Liao; Yun Chi; Yu-De Su; Hao-Xiang Huang; Chih-Hao Chang; Shih-Hung Liu; Gene-Hsiang Lee; Pi-Tai Chou","Os(II) metal phosphors bearing tridentate 2,6-di(pyrazol-3-yl)pyridine chelate: synthetic design, characterization and application in OLED fabrication","Journal of Materials Chemistry C","2014","2","","6269","6282","10.1039/C4TC00865K","","","0.71073","MoKα","","0.0369","0.0322","","","0.0812","0.0835","","","","","","1.075","","","","has coordinates","218183","2020-10-21","18:00:00",""
"7233786","10.9693","0.0005","16.507","0.0007","20.1948","0.0009","71.3583","0.001","75.9862","0.001","72.9983","0.001","3268.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 F12 N16 O7 Os2 -","- C64 H50 F12 N16 O7 Os2 -","- C128 H100 F24 N32 O14 Os4 -","2","1","","Jia-Ling Liao; Yun Chi; Yu-De Su; Hao-Xiang Huang; Chih-Hao Chang; Shih-Hung Liu; Gene-Hsiang Lee; Pi-Tai Chou","Os(II) metal phosphors bearing tridentate 2,6-di(pyrazol-3-yl)pyridine chelate: synthetic design, characterization and application in OLED fabrication","Journal of Materials Chemistry C","2014","2","","6269","6282","10.1039/C4TC00865K","","","0.71073","MoKα","","0.049","0.0373","","","0.0753","0.0831","","","","","","1.033","","","","has coordinates,has disorder","218184","2020-10-21","18:00:00",""
"7233788","21.383","0.001","6.1278","0.0003","5.1462","0.0003","90","","90","","90","","674.31","0.06","285","2","285","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0397","0.0338","","","0.0875","0.0919","","","","","","1.087","","","","has coordinates","218206","2020-10-21","18:00:00",""
"7233789","21.4311","0.0011","6.1298","0.0003","5.1489","0.0003","90","","90","","90","","676.4","0.06","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0409","0.0338","","","0.0847","0.0895","","","","","","1.103","","","","has coordinates","218207","2020-10-21","18:00:00",""
"7233790","21.4235","0.0004","6.1275","0.0001","5.1487","0.0001","90","","90","","90","","675.88","0.02","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0411","0.0343","","","0.0804","0.0825","","","","","","1.244","","","","has coordinates","218208","2020-10-21","18:00:00",""
"7233791","21.363","0.005","6.141","0.005","5.1404","0.0011","90","","90","","90","","674.4","0.6","296","2","296","2","70000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0778","0.0571","","","0.1136","0.128","","","","","","1.171","","","","has coordinates","218209","2020-10-21","18:00:00",""
"7233792","21.325","0.005","6.152","0.006","5.1306","0.001","90","","90","","90","","673.1","0.7","296","2","296","2","120000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0862","0.0621","","","0.078","0.0846","","","","","","1.308","","","","has coordinates","218210","2020-10-21","18:00:00",""
"7233793","21.267","0.005","6.133","0.005","5.1284","0.0012","90","","90","","90","","668.9","0.6","296","2","296","2","210000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0591","0.0499","","","0.1061","0.1137","","","","","","1.164","","","","has coordinates","218211","2020-10-21","18:00:00",""
"7233794","21.215","0.004","6.128","0.005","5.118","0.0011","90","","90","","90","","665.4","0.6","296","2","296","2","260000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0626","0.0457","","","0.0969","0.1076","","","","","","1.151","","","","has coordinates","218212","2020-10-21","18:00:00",""
"7233795","21.148","0.005","6.121","0.005","5.1082","0.0012","90","","90","","90","","661.2","0.6","296","2","296","2","340000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0697","0.0512","","","0.1003","0.1104","","","","","","1.203","","","","has coordinates","218213","2020-10-21","18:00:00",""
"7233796","21.101","0.004","6.112","0.005","5.099","0.0009","90","","90","","90","","657.6","0.6","296","2","296","2","400000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine_N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0674","0.0554","","","0.0943","0.0994","","","","","","1.071","","","","has coordinates","218214","2020-10-21","18:00:00",""
"7233797","20.994","0.008","6.105","0.007","5.0903","0.0018","90","","90","","90","","652.4","0.8","296","2","296","2","520000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine_N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0777","0.0555","","","0.1165","0.1276","","","","","","1.095","","","","has coordinates","218215","2020-10-21","18:00:00",""
"7233798","20.771","0.004","6.075","0.004","5.0621","0.001","90","","90","","90","","638.8","0.5","296","2","296","2","830000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0751","0.0621","","","0.0912","0.095","","","","","","1.22","","","","has coordinates","218216","2020-10-21","18:00:00",""
"7233799","20.9533","0.0007","6.1092","0.0002","5.1332","0.0002","90","","90","","90","","657.09","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0305","0.0282","","","0.0739","0.0764","","","","","","1.144","","","","has coordinates","218217","2020-10-21","18:00:00",""
"7233800","20.9915","0.0008","6.1114","0.0002","5.1337","0.0002","90","","90","","90","","658.59","0.04","135","2","135","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0298","0.0283","","","0.0752","0.0765","","","","","","1.195","","","","has coordinates","218219","2020-10-21","18:00:00",""
"7233801","21.0223","0.0008","6.1129","0.0002","5.1343","0.0002","90","","90","","90","","659.79","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0305","0.028","","","0.0754","0.0768","","","","","","1.127","","","","has coordinates","218220","2020-10-21","18:00:00",""
"7233802","21.0588","0.0008","6.1144","0.0002","5.1343","0.0002","90","","90","","90","","661.1","0.04","165","2","165","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0313","0.0281","","","0.0748","0.0775","","","","","","1.118","","","","has coordinates","218221","2020-10-21","18:00:00",""
"7233803","21.0975","0.0009","6.1157","0.0003","5.1353","0.0002","90","","90","","90","","662.59","0.05","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0329","0.0298","","","0.0767","0.0794","","","","","","1.118","","","","has coordinates","218222","2020-10-21","18:00:00",""
"7233804","21.1324","0.0008","6.1162","0.0002","5.1363","0.0002","90","","90","","90","","663.87","0.04","195","2","195","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0334","0.0302","","","0.079","0.0832","","","","","","1.155","","","","has coordinates","218223","2020-10-21","18:00:00",""
"7233805","21.1719","0.0009","6.119","0.0003","5.1373","0.0003","90","","90","","90","","665.54","0.06","210","2","210","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0347","0.0307","","","0.0811","0.0845","","","","","","1.152","","","","has coordinates","218224","2020-10-21","18:00:00",""
"7233806","21.216","0.0009","6.1203","0.0003","5.1381","0.0003","90","","90","","90","","667.17","0.06","225","2","225","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0352","0.0316","","","0.0796","0.0828","","","","","","1.173","","","","has coordinates","218225","2020-10-21","18:00:00",""
"7233807","21.2598","0.0009","6.1219","0.0003","5.1391","0.0003","90","","90","","90","","668.86","0.06","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0364","0.0311","","","0.0804","0.0859","","","","","","1.13","","","","has coordinates","218226","2020-10-21","18:00:00",""
"7233808","21.2997","0.001","6.1229","0.0003","5.1413","0.0003","90","","90","","90","","670.51","0.06","255","2","255","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0371","0.0319","","","0.0845","0.0876","","","","","","1.101","","","","has coordinates","218227","2020-10-21","18:00:00",""
"7233809","21.343","0.001","6.1262","0.0003","5.143","0.0003","90","","90","","90","","672.45","0.06","270","2","270","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0374","0.0314","","","0.0813","0.0863","","","","","","1.119","","","","has coordinates","218228","2020-10-21","18:00:00",""
"7233810","20.5114","0.0019","6.016","0.004","5.005","0.002","90","","90","","90","","617.6","0.5","296","2","296","2","1290000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0564","0.0405","","","0.0662","0.0709","","","","","","1.173","","","","has coordinates","218229","2020-10-21","18:00:00",""
"7233811","20.343","0.002","6.001","0.004","4.9855","0.0017","90","","90","","90","","608.6","0.5","296","2","296","2","1580000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0397","0.0312","","","0.056","0.0598","","","","","","1.072","","","","has coordinates","218230","2020-10-21","18:00:00",""
"7233812","20.141","0.002","5.973","0.005","4.965","0.0018","90","","90","","90","","597.3","0.5","296","2","296","2","2040000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0422","0.0343","","","0.07","0.0757","","","","","","1.069","","","","has coordinates","218231","2020-10-21","18:00:00",""
"7233813","19.878","0.003","5.938","0.004","4.9394","0.0014","90","","90","","90","","583","0.4","296","2","296","2","2680000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0428","0.0363","","","0.0758","0.0793","","","","","","1.143","","","","has coordinates","218232","2020-10-21","18:00:00",""
"7233814","19.549","0.0016","5.901","0.004","4.9131","0.0014","90","","90","","90","","566.8","0.4","296","2","296","2","3570000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0451","0.0388","","","0.0776","0.0809","","","","","","1.205","","","","has coordinates","218233","2020-10-21","18:00:00",""
"7233820","20.076","0.008","49.223","0.019","8.695","0.003","90","","90","","90","","8592","6","","","100","","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C43 H56 N2 O5 -","- C46 N3 O6 -","- C368 N24 O48 -","8","1","","Rekha Narayan; Prashant Kumar; K. S. Narayan; S. K. Asha","Supramolecular P4VP-pentadecylphenol naphthalenebisimide comb-polymer: mesoscopic organization and charge transport properties","Journal of Materials Chemistry C","2014","2","","6511","6519","10.1039/C4TC00611A","","x-ray","0.71069","MoKα","","","0.12","","","","","","","","","","1.526","","","","has coordinates","218250","2020-10-21","18:00:00",""
"7233821","29.724","0.004","24.623","0.003","20.687","0.003","90","","126.76","0.001","90","","12130","3","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C76 H127 Co17 Mo16 N18 O132 P24 -","- C76 H72 Co17 Mo16 N18 O132 P24 -","- C152 H144 Co34 Mo32 N36 O264 P48 -","2","0.25","","Hao Miao; Hong-Xiang Wan; Ming Liu; Yu Zhang; Xiao Xu; Wei-Wei Ju; Dun-ru Zhu; Yan Xu","Two novel organic-inorganic hybrid molybdenum(v) cobalt/nickel phosphate compounds based on isolated nanosized Mo/Co(Ni)/P cluster wheels","Journal of Materials Chemistry C","2014","2","","6554","6560","10.1039/C4TC00944D","","","0.71073","MoKα","","0.11","0.0695","","","0.2152","0.2403","","","","","","1.046","","","","has coordinates,has disorder","218251","2020-10-21","18:00:00",""
"7233822","20.6031","0.0018","21.8327","0.0019","25.821","0.002","90","","107.864","0.001","90","","11054.9","1.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H167 Mo16 N28 Ni17 O143 P22 -","- C98 H107 Mo16 N28 Ni17 O143 P22 -","- C196 H214 Mo32 N56 Ni34 O286 P44 -","2","0.5","","Hao Miao; Hong-Xiang Wan; Ming Liu; Yu Zhang; Xiao Xu; Wei-Wei Ju; Dun-ru Zhu; Yan Xu","Two novel organic-inorganic hybrid molybdenum(v) cobalt/nickel phosphate compounds based on isolated nanosized Mo/Co(Ni)/P cluster wheels","Journal of Materials Chemistry C","2014","2","","6554","6560","10.1039/C4TC00944D","","","0.71073","MoKα","","0.1297","0.0615","","","0.1493","0.1707","","","","","","1","","","","has coordinates,has disorder","218252","2020-10-21","18:00:00",""
"7233823","13.045","0.0005","8.447","0.0004","13.703","0.0005","90","","91.593","0.0012","90","","1509.37","0.11","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","2","","Yulia B. Borozdina; Evgeny Mostovich; Volker Enkelmann; Bernd Wolf; Pham T. Cong; Ulrich Tutsch; Michael Lang; Martin Baumgarten","Interacting networks of purely organic spin-1/2 dimers","Journal of Materials Chemistry C","2014","2","","6618","6629","10.1039/C4TC00399C","","","0.71073","MoKα","","0.2194","0.0941","","0.2797","0.0942","0.0942","","","","","","5.6334","","","","has coordinates","218253","2020-10-21","18:00:00",""
"7233824","8.1768","0.0002","19.0191","0.0008","8.6983","0.0003","90","","103.4","0.002","90","","1315.89","0.08","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Yulia B. Borozdina; Evgeny Mostovich; Volker Enkelmann; Bernd Wolf; Pham T. Cong; Ulrich Tutsch; Michael Lang; Martin Baumgarten","Interacting networks of purely organic spin-1/2 dimers","Journal of Materials Chemistry C","2014","2","","6618","6629","10.1039/C4TC00399C","","","0.71073","MoKα","","0.1048","0.0732","","0.0786","0.0724","0.0724","","","","","","0.9848","","","","has coordinates","218254","2020-10-21","18:00:00",""
"7233825","6.0834","0.0004","11.2581","0.0005","19.1236","0.0009","90","","90.832","0.003","90","","1309.59","0.12","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Yulia B. Borozdina; Evgeny Mostovich; Volker Enkelmann; Bernd Wolf; Pham T. Cong; Ulrich Tutsch; Michael Lang; Martin Baumgarten","Interacting networks of purely organic spin-1/2 dimers","Journal of Materials Chemistry C","2014","2","","6618","6629","10.1039/C4TC00399C","","","0.71073","MoKα","","0.0739","0.0453","","0.0592","0.055","0.055","","","","","","1.0812","","","","has coordinates","218255","2020-10-21","18:00:00",""
"7233826","13.1356","0.0012","10.4952","0.001","10.6469","0.001","90","","90","","90","","1467.8","0.2","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C20 H11 N O3 -","- C20 H11 N O3 -","- C80 H44 N4 O12 -","4","1","","Sunil Kumar; Punita Singh; Ritu Srivastava; Rik Rani Koner; Avijit Pramanik; Jomon Mathew; Sougata Sinha; Madhu Rawat; R. S. Anand; Subrata Ghosh","Engineering fused coumarin dyes: a molecular level understanding of aggregation quenching and tuning electroluminescence via alkyl chain substitution","Journal of Materials Chemistry C","2014","2","","6637","6647","10.1039/C4TC00807C","","","0.71073","MoKα","","0.0773","0.0545","","","0.1357","0.1817","","","","","","1.161","","","","has coordinates","218256","2020-10-21","18:00:00",""
"7233827","8.0479","0.0019","8.0479","0.0019","9.904","0.003","90","","90","","120","","555.5","0.3","296","2","296","2","","","","","","","","3","P 32","P 32","145","","","","- Br3 Cs Hg -","- Br3 Cs Hg -","- Br9 Cs3 Hg3 -","3","1","","Songwei Lv; Qi Wu; Xianggao Meng; Lei Kang; Cheng Zhong; Zheshuai Lin; Zhanggui Hu; Xingguo Chen; Jingui Qin","A promising new nonlinear optical crystal with high laser damage threshold for application in the IR region: synthesis, crystal structure and properties of noncentrosymmetric CsHgBr3","Journal of Materials Chemistry C","2014","2","","6796","6801","10.1039/C4TC00565A","","","0.71073","MoKα","","0.1143","0.0687","","","0.1582","0.1932","","","","","","0.884","","","","has coordinates","218257","2020-10-21","18:00:00",""
"7233828","11.121","0.002","16.819","0.003","16.495","0.003","90","","94.15","0.03","90","","3077.2","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 N2 O2 P -","- C39 H29 N2 O2 P -","- C156 H116 N8 O8 P4 -","4","1","","Kai Wang; Shipan Wang; Jinbei Wei; Shanyong Chen; Dong Liu; Yu Liu; Yue Wang","New multifunctional phenanthroimidazole-phosphine oxide hybrids for high-performance red, green and blue electroluminescent devices","Journal of Materials Chemistry C","2014","2","","6817","6826","10.1039/C4TC00749B","","","0.71073","MoKα","","0.1182","0.0523","","","0.1153","0.1403","","","","","","0.975","","","","has coordinates","218258","2020-10-21","18:00:00",""
"7233829","23.8655","0.001","34.2298","0.001","17.5645","0.0005","90","","90","","90","","14348.6","0.8","296","2","296","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C42 H30 F6 Ir N4 P -","- C42 H30 F6 Ir N4 P -","- C672 H480 F96 Ir16 N64 P16 -","16","1","","Gabriel E. Schneider; Antonio Pertegas; Edwin C. Constable; Catherine E. Housecroft; Nik Hostettler; Collin D. Morris; Jennifer A. Zampese; Henk J. Bolink; Jose M. Junquera-Hernandez; Enrique Orti; Michele Sessolo","Bright and stable light-emitting electrochemical cells based on an intramolecularly pi-stacked, 2-naphthyl-substituted iridium complex","Journal of Materials Chemistry C","2014","2","","7047","7055","10.1039/C4TC01171F","","","1.54178","CuKα","","0.0556","0.0439","","","0.1084","0.1222","","","","","","1.083","","","","has coordinates,has disorder","218259","2020-10-21","18:00:00",""
"7233830","12.21","0.002","12.505","0.003","15.53","0.003","101.76","0.03","108.27","0.03","106.81","0.03","2039.2","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Be Cl6 N2 O6 -","- C38 H38 Be Cl6 N2 O6 -","- C76 H76 Be2 Cl12 N4 O12 -","2","1","","Xiao Cheng; Zhenyu Zhang; Houyu Zhang; Shenghua Han; Kaiqi Ye; Lu Wang; Hongyu Zhang; Yue Wang","CEE-active red/near-infrared fluorophores with triple-channel solid-state 'ON/OFF' fluorescence switching","Journal of Materials Chemistry C","2014","2","","7385","7391","10.1039/C4TC01099J","","","0.71073","MoKα","","0.1174","0.072","","","0.2091","0.2425","","","","","","1.099","","","","has coordinates,has disorder","218260","2020-10-21","18:00:00",""
"7233831","8.8993","0.0006","12.6608","0.0011","24.2498","0.0019","99.206","0.002","99.022","0.002","96.96","0.001","2633.6","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 N2 O12 S2 -","- C52 H68 N2 O12 S2 -","- C104 H136 N4 O24 S4 -","2","1","","Junjie He; Jingxian He; Tingting Wang; Heping Zeng","Ion-induced cycle opening of a diarylethene and its application on visual detection of Cu2+ and Hg2+ and keypad lock","Journal of Materials Chemistry C","2014","2","","7531","7540","10.1039/C4TC01215A","","","0.71073","MoKα","","0.1622","0.0871","","","0.2233","0.2596","","","","","","1.055","","","","has coordinates","218261","2020-10-21","18:00:00",""
"7233832","5.8953","0.0007","7.5358","0.0009","35.049","0.004","90","","90.563","0.007","90","","1557","0.3","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C22 H14 S2 -","- C22 H14 S2 -","- C88 H56 S8 -","4","2","","Jangdae Youn; Peng-Yi Huang; Shiming Zhang; Chiao-Wei Liu; Sureshraju Vegiraju; Kumaresan Prabakaran; Charlotte Stern; Choongik Kim; Ming-Chou Chen; Antonio Facchetti; Tobin J. Marks","Functionalized benzothieno[3,2 b]thiophenes (BTTs) for high performance organic thin-film transistors (OTFTs)","Journal of Materials Chemistry C","2014","2","","7599","7607","10.1039/C4TC01115E","","","1.54178","CuKα","","0.067","0.0493","","","0.1166","0.1341","","","","","","1.026","","","","has coordinates","218262","2020-10-21","18:00:00",""
"7233833","8.273","0.001","6.0598","0.0004","12.25","0.0007","90","","101.07","0.01","90","","602.7","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 F2 N2 O2 -","- C16 H8 F2 N2 O2 -","- C32 H16 F4 N4 O4 -","2","0.5","","I. V. Klimovich; L. I. Leshanskaya; S. I. Troyanov; D. V. Anokhin; D. V. Novikov; A. A. Piryazev; D. A. Ivanov; N. N. Dremova; P. A. Troshin","Design of indigo derivatives as environment-friendly organic semiconductors for sustainable organic electronics","Journal of Materials Chemistry C","2014","2","","7621","7631","10.1039/C4TC00550C","","","0.85507","synchrotron","","0.0611","0.053","","","0.144","0.1497","","","","","","1.045","","","","has coordinates","218263","2020-10-21","18:00:00",""
"7233834","28.211","0.001","8.6741","0.0007","12.6299","0.0006","90","","90","","90","","3090.6","0.3","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C18 H8 F6 N2 O2 -","- C18 H8 F6 N2 O2 -","- C144 H64 F48 N16 O16 -","8","1","","I. V. Klimovich; L. I. Leshanskaya; S. I. Troyanov; D. V. Anokhin; D. V. Novikov; A. A. Piryazev; D. A. Ivanov; N. N. Dremova; P. A. Troshin","Design of indigo derivatives as environment-friendly organic semiconductors for sustainable organic electronics","Journal of Materials Chemistry C","2014","2","","7621","7631","10.1039/C4TC00550C","","","0.84344","","","0.0396","0.0392","","","0.1078","0.1084","","","","","","1.068","","","","has coordinates","218264","2020-10-21","18:00:00",""
"7233835","8.249","0.001","6.0281","0.0007","12.284","0.001","90","","94.35","0.01","90","","609.07","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 F2 N2 O2 -","- C16 H8 F2 N2 O2 -","- C32 H16 F4 N4 O4 -","2","0.5","","I. V. Klimovich; L. I. Leshanskaya; S. I. Troyanov; D. V. Anokhin; D. V. Novikov; A. A. Piryazev; D. A. Ivanov; N. N. Dremova; P. A. Troshin","Design of indigo derivatives as environment-friendly organic semiconductors for sustainable organic electronics","Journal of Materials Chemistry C","2014","2","","7621","7631","10.1039/C4TC00550C","","","0.84344","synchrotron","","0.0603","0.0539","","","0.1358","0.1396","","","","","","1.033","","","","has coordinates","218265","2020-10-21","18:00:00",""
"7233836","13.1129","0.0008","4.5375","0.0002","11.7091","0.0007","90","","110.09","0.005","90","","654.3","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Cl2 N2 O2 -","- C16 H8 Cl2 N2 O2 -","- C32 H16 Cl4 N4 O4 -","2","0.5","","I. V. Klimovich; L. I. Leshanskaya; S. I. Troyanov; D. V. Anokhin; D. V. Novikov; A. A. Piryazev; D. A. Ivanov; N. N. Dremova; P. A. Troshin","Design of indigo derivatives as environment-friendly organic semiconductors for sustainable organic electronics","Journal of Materials Chemistry C","2014","2","","7621","7631","10.1039/C4TC00550C","","","0.71073","MoKα","","0.0814","0.0579","","","0.1125","0.1194","","","","","","1.063","","","","has coordinates","218266","2020-10-21","18:00:00",""
"7233837","12.708","0.001","4.6341","0.0004","11.596","0.001","90","","115.352","0.007","90","","617.12","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 F4 N2 O2 -","- C16 H6 F4 N2 O2 -","- C32 H12 F8 N4 O4 -","2","0.5","","I. V. Klimovich; L. I. Leshanskaya; S. I. Troyanov; D. V. Anokhin; D. V. Novikov; A. A. Piryazev; D. A. Ivanov; N. N. Dremova; P. A. Troshin","Design of indigo derivatives as environment-friendly organic semiconductors for sustainable organic electronics","Journal of Materials Chemistry C","2014","2","","7621","7631","10.1039/C4TC00550C","","","0.85507","synchrotron","","0.0732","0.0643","","","0.1507","0.1543","","","","","","1.156","","","","has coordinates","218267","2020-10-21","18:00:00",""
"7233838","11.4719","0.0005","16.3375","0.0005","9.0945","0.0004","90","","101.461","0.005","90","","1670.52","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-(4-bromophenyl)-6-methoxy-1H-indene- 2-carboxylate","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Andrea Cappelli; Francesca Villafiorita-Monteleone; Giorgio Grisci; Marco Paolino; Vincenzo Razzano; Giuseppe Fabio; Germano Giuliani; Alessandro Donati; Raniero Mendichi; Antonella Caterina Boccia; Mariacecilia Pasini; Chiara Botta","Highly emissive supramolecular assemblies based on pi-stacked polybenzofulvene hosts and a benzothiadiazole guest","Journal of Materials Chemistry C","2014","2","","7897","7905","10.1039/C4TC01200C","","","0.71073","MoKα","","0.1181","0.0333","","","0.041","0.0461","","","","","","0.655","","","","has coordinates","218268","2020-10-21","18:00:00",""
"7233839","8.835","0.0004","8.8813","0.0005","11.3291","0.0006","109.556","0.005","92.68","0.004","93.696","0.004","833.72","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3-(4-bromophenyl)-6-methoxy-1-oxo-1H-indene- 2-carboxylate","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C38 H30 Br2 O8 -","2","1","","Andrea Cappelli; Francesca Villafiorita-Monteleone; Giorgio Grisci; Marco Paolino; Vincenzo Razzano; Giuseppe Fabio; Germano Giuliani; Alessandro Donati; Raniero Mendichi; Antonella Caterina Boccia; Mariacecilia Pasini; Chiara Botta","Highly emissive supramolecular assemblies based on pi-stacked polybenzofulvene hosts and a benzothiadiazole guest","Journal of Materials Chemistry C","2014","2","","7897","7905","10.1039/C4TC01200C","","","0.71073","MoKα","","0.096","0.0382","","","0.0745","0.0807","","","","","","0.777","","","","has coordinates","218269","2020-10-21","18:00:00",""
"7233840","8.626","0.005","19.658","0.005","12.099","0.005","90","0.005","107.812","0.005","90","0.005","1953.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-oxo-3-phenyl-6-(trifluoromethylsulfonyloxy)-1H-indene-2-carboxylate","","- C19 H13 F3 O6 S -","- C19 H13 F3 O6 S -","- C76 H52 F12 O24 S4 -","4","1","","Andrea Cappelli; Francesca Villafiorita-Monteleone; Giorgio Grisci; Marco Paolino; Vincenzo Razzano; Giuseppe Fabio; Germano Giuliani; Alessandro Donati; Raniero Mendichi; Antonella Caterina Boccia; Mariacecilia Pasini; Chiara Botta","Highly emissive supramolecular assemblies based on pi-stacked polybenzofulvene hosts and a benzothiadiazole guest","Journal of Materials Chemistry C","2014","2","","7897","7905","10.1039/C4TC01200C","","","0.71073","MoKα","","0.1819","0.0602","","","0.1374","0.1614","","","","","","0.769","","","","has coordinates,has disorder","218270","2020-10-21","18:00:00",""
"7233841","8.9147","0.0003","11.1228","0.0005","27.3142","0.0012","81.073","0.004","83.401","0.003","69.003","0.004","2492.74","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Ethyl 6-(9,9-dimethyl-9H-fluoren-2-yl)-1-oxo-3-phenyl-1H-indene- 2-carboxylate","","- C33 H26 O3 -","- C33 H26 O3 -","- C132 H104 O12 -","4","2","","Andrea Cappelli; Francesca Villafiorita-Monteleone; Giorgio Grisci; Marco Paolino; Vincenzo Razzano; Giuseppe Fabio; Germano Giuliani; Alessandro Donati; Raniero Mendichi; Antonella Caterina Boccia; Mariacecilia Pasini; Chiara Botta","Highly emissive supramolecular assemblies based on pi-stacked polybenzofulvene hosts and a benzothiadiazole guest","Journal of Materials Chemistry C","2014","2","","7897","7905","10.1039/C4TC01200C","","","0.71073","MoKα","","0.1222","0.0536","","","0.1225","0.134","","","","","","0.911","","","","has coordinates,has disorder","218271","2020-10-21","18:00:00",""
"7233850","4.916","0.005","8.38","0.009","35.58","0.04","86.97","0.03","87.29","0.03","75.07","0.03","1413","3","170","2","170","2","","","","","","","","4","P -1","-P 1","2","[C12C12triaz] Br","1-dodecyl-3-dodecyltriazolium bromide","","- C26 H52 Br N3 -","- C26 H52 Br N3 -","- C52 H104 Br2 N6 -","2","1","","Kathrin Stappert; Derya Unal; Bert Mallick; Anja-Verena Mudring","New triazolium based ionic liquid crystals","Journal of Materials Chemistry C","2014","2","","7976","7986","10.1039/C3TC31366B","","","0.71073","MoKα","","0.137","0.0705","","","0.14","0.2102","","","","","","1.008","","","","has coordinates","218296","2020-10-21","18:00:00",""
"7233851","23.797","0.002","9.0374","0.0006","15.9949","0.0015","90","","107.64","","90","","3278.2","0.5","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[C12C12triaz] I3","1-dodecyl-3-dodecyltriazolium triiodide","","- C26 H52 I3 N3 -","- C26 H52 I3 N3 -","- C104 H208 I12 N12 -","4","1","","Kathrin Stappert; Derya Unal; Bert Mallick; Anja-Verena Mudring","New triazolium based ionic liquid crystals","Journal of Materials Chemistry C","2014","2","","7976","7986","10.1039/C3TC31366B","","","0.71073","MoKα","","0.0498","0.0244","","","0.0458","0.0486","","","","","","0.753","","","","has coordinates","218297","2020-10-21","18:00:00",""
"7233852","8.471","0.005","9.05","0.005","22.523","0.005","90","","93.286","0.005","90","","1723.8","1.4","323","2","323","2","","","","","","","","4","P 1 21 1","P 2yb","4","[C12C12triaz] I3","1-dodecyl-3-dodecyltriazolium triiodide","","- C26 H52 I3 N3 -","- C26 H52 I3 N3 -","- C52 H104 I6 N6 -","2","1","","Kathrin Stappert; Derya Unal; Bert Mallick; Anja-Verena Mudring","New triazolium based ionic liquid crystals","Journal of Materials Chemistry C","2014","2","","7976","7986","10.1039/C3TC31366B","","","0.71073","MoKα","","0.1179","0.039","","","0.105","0.1276","","","","","","0.685","","","","has coordinates","218298","2020-10-21","18:00:00",""
"7233853","13.1154","0.0016","6.6813","0.0005","29.007","0.003","90","","90","","90","","2541.8","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H22 Eu2 N4 O14 -","- C20 H22 Eu2 N4 O14 -","- C80 H88 Eu8 N16 O56 -","4","1","","Yun-Hu Han; Chong-Bin Tian; Qiao-Hong Li; Shao-Wu Du","Highly chemical and thermally stable luminescent EuxTb1-x MOF materials for broad-range pH and temperature sensors","Journal of Materials Chemistry C","2014","2","","8065","8070","10.1039/C4TC01336K","","","0.71073","MoKα","","0.0748","0.0705","","","0.1646","0.1679","","","","","","1.125","","","","has coordinates","218299","2020-10-21","18:00:00",""
"7233854","13.149","0.002","6.6803","0.0012","29.165","0.005","90","","90","","90","","2561.8","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H17 N4 O14 Tb2 -","- C20 H22 N4 O14 Tb2 -","- C80 H88 N16 O56 Tb8 -","4","1","","Yun-Hu Han; Chong-Bin Tian; Qiao-Hong Li; Shao-Wu Du","Highly chemical and thermally stable luminescent EuxTb1-x MOF materials for broad-range pH and temperature sensors","Journal of Materials Chemistry C","2014","2","","8065","8070","10.1039/C4TC01336K","","","0.71073","MoKα","","0.0511","0.0442","","","0.0995","0.1035","","","","","","1.083","","","","has coordinates,has disorder","218300","2020-10-21","18:00:00",""
"7233855","10.283","0.004","10.34","0.004","16.018","0.007","103.299","0.005","104.031","0.005","100.895","0.007","1553","1.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","(TTF1)(C60)(CS2)","(TTF1)(C60)(CS2)","","- C95 H28 O4 S10 -","- C95 H28 O4 S10 -","- C95 H28 O4 S10 -","1","0.5","","Jibin Sun; Xiaofeng Lu; Manabu Ishikawa; Yoshiaki Nakano; Shangxi Zhang; Jinlian Zhao,; Yongliang Shao; Zhaohui Wang; Hideki Yamochi; Xiangfeng Shao","Inclusion complexes of fullerenes with flexible tetrathiafulvalene derivatives bearing four aryls through sulfur bridges","Journal of Materials Chemistry C","2014","2","","8071","8076","10.1039/C4TC01362J","","","0.71075","MoKα","","0.0578","0.043","","","0.1177","0.1236","","","","","","0.981","","","","has coordinates","218301","2020-10-21","18:00:00",""
"7233856","10.346","0.008","10.452","0.009","13.714","0.012","88.75","0.03","86.12","0.03","79.37","0.03","1454","2","113","2","113","2","","","","","","","","3","P -1","-P 1","2","(TTF2)(C60)","(TTF2)(C60)","","- C94 H28 S8 -","- C94 H28 S8 -","- C94 H28 S8 -","1","0.5","","Jibin Sun; Xiaofeng Lu; Manabu Ishikawa; Yoshiaki Nakano; Shangxi Zhang; Jinlian Zhao,; Yongliang Shao; Zhaohui Wang; Hideki Yamochi; Xiangfeng Shao","Inclusion complexes of fullerenes with flexible tetrathiafulvalene derivatives bearing four aryls through sulfur bridges","Journal of Materials Chemistry C","2014","2","","8071","8076","10.1039/C4TC01362J","","","0.71075","MoKα","","0.1175","0.0737","","","0.1652","0.1942","","","","","","0.994","","","","has coordinates","218302","2020-10-21","18:00:00",""
"7233857","21.5671","0.0018","21.3847","0.0017","45.525","0.004","90","","90.307","0.001","90","","20996","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(TTF3)(C70)2(PhCl)2","(TTF3)(C70)2(PhCl)2","","- C186 H38 Cl2 S8 -","- C186 H38 Cl2 S8 -","- C1488 H304 Cl16 S64 -","8","2","","Jibin Sun; Xiaofeng Lu; Manabu Ishikawa; Yoshiaki Nakano; Shangxi Zhang; Jinlian Zhao,; Yongliang Shao; Zhaohui Wang; Hideki Yamochi; Xiangfeng Shao","Inclusion complexes of fullerenes with flexible tetrathiafulvalene derivatives bearing four aryls through sulfur bridges","Journal of Materials Chemistry C","2014","2","","8071","8076","10.1039/C4TC01362J","","","0.71073","MoKα","","0.1321","0.082","","","0.1739","0.1911","","","","","","1.097","","","","has coordinates","218303","2020-10-21","18:00:00",""
"7233858","6.732","0.0009","4.781","0.0002","28.098","0.001","90","","91.932","0.009","90","","903.84","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DTI","6,6?-dithienylindigo","","- C24 H14 N2 O2 S2 -","- C24 H14 N2 O2 S2 -","- C48 H28 N4 O4 S4 -","2","0.5","","E. D. Glowacki; D. H. Apaydin; Z. Bozkurt; U. Monkowius; K. Demirak; E. Tordin; M. Himmelsbach; C. Schwarzinger; M. Burian; R. T. Lechner; N. Demitri; G. Voss; N. S. Sariciftci","Air-stable organic semiconductors based on 6,6'-dithienylindigo and polymers thereof","Journal of Materials Chemistry C","2014","2","","8089","8097","10.1039/C4TC00651H","","x-ray","0.7","Synchrotron","","0.0469","0.0431","","","0.1202","0.1238","","","","","","1.066","","","","has coordinates","218304","2020-10-21","18:00:00",""
"7233859","11.371","0.002","14.464","0.003","13.974","0.003","90","","90","","90","","2298.3","0.8","203","2","203","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C29 H29 N -","- C29 H29 N -","- C116 H116 N4 -","4","0.5","","Ashley A. Buelt; Naresh C. Osti; Yamin Htet; Catherine A. Conrad; Mina F. Shehata; Ruttayapon Potai; Andrew G. Tennyson; Dvora Perahia; Rhett C. Smith","Conjugated polymers with m-pyridine linkages: synthesis, photophysics, solution structure and film morphology","Journal of Materials Chemistry C","2014","2","","8113","8121","10.1039/C4TC00419A","","","0.71073","MoKα","","0.0789","0.0629","","","0.1655","0.1878","","","","","","1.08","","","","has coordinates","218305","2020-10-21","18:00:00",""
"7233860","14.53","0.005","7.119","0.002","17.336","0.006","90","","92.113","0.005","90","","1792","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 B N S4 -","- C20 H16 B N S4 -","- C80 H64 B4 N4 S16 -","4","1","","Xiao-Ye Wang; Fang-Dong Zhuang; Xu Zhou; Dong-Chu Yang; Jie-Yu Wang; Jian Pei","Influence of alkyl chain length on the solid-state properties and transistor performance of BN-substituted tetrathienonaphthalenes","Journal of Materials Chemistry C","2014","2","","8152","8161","10.1039/C4TC01369G","","","0.71073","MoKα","","0.0597","0.0524","","","0.1106","0.1146","","","","","","1.16","","","","has coordinates","218306","2020-10-21","18:00:00",""
"7233861","9.989","0.002","11.179","0.002","11.299","0.002","74.02","0.03","81.77","0.03","72.9","0.03","1156.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 B N S4 -","- C24 H24 B N S4 -","- C48 H48 B2 N2 S8 -","2","1","","Xiao-Ye Wang; Fang-Dong Zhuang; Xu Zhou; Dong-Chu Yang; Jie-Yu Wang; Jian Pei","Influence of alkyl chain length on the solid-state properties and transistor performance of BN-substituted tetrathienonaphthalenes","Journal of Materials Chemistry C","2014","2","","8152","8161","10.1039/C4TC01369G","","","0.71073","MoKα","","0.0936","0.0757","","","0.1986","0.2149","","","","","","1.106","","","","has coordinates,has disorder","218307","2020-10-21","18:00:00",""
"7233862","7.5956","0.0003","10.7442","0.0005","18.2411","0.0008","86.994","0.004","83.691","0.004","82.603","0.004","1466.19","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 B N S4 -","- C32 H40 B N S4 -","- C64 H80 B2 N2 S8 -","2","1","","Xiao-Ye Wang; Fang-Dong Zhuang; Xu Zhou; Dong-Chu Yang; Jie-Yu Wang; Jian Pei","Influence of alkyl chain length on the solid-state properties and transistor performance of BN-substituted tetrathienonaphthalenes","Journal of Materials Chemistry C","2014","2","","8152","8161","10.1039/C4TC01369G","","","0.7107","MoKα","","0.0416","0.0342","","","0.082","0.0872","","","","","","1.049","","","","has coordinates","218308","2020-10-21","18:00:00",""
"7233863","8.4695","0.0017","13.03","0.003","16.2","0.003","99.16","0.03","96.39","0.03","104.33","0.03","1688.7","0.7","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 B N S4 -","- C36 H48 B N S4 -","- C72 H96 B2 N2 S8 -","2","1","","Xiao-Ye Wang; Fang-Dong Zhuang; Xu Zhou; Dong-Chu Yang; Jie-Yu Wang; Jian Pei","Influence of alkyl chain length on the solid-state properties and transistor performance of BN-substituted tetrathienonaphthalenes","Journal of Materials Chemistry C","2014","2","","8152","8161","10.1039/C4TC01369G","","","0.71073","MoKα","","0.0461","0.0363","","","0.0914","0.0964","","","","","","1.062","","","","has coordinates","218309","2020-10-21","18:00:00",""
"7233864","16.131","0.003","6.4733","0.0011","6.5363","0.0011","90","","90","","90","","682.5","0.2","173","2","173","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Cl Cu H3 O3 Sr -","- Cl Cu H3 O3 Sr -","- Cl6 Cu6 H18 O18 Sr6 -","6","1.5","","Teng-Teng Zhu; Wei Sun; Ya-Xi Huang; Zhi-Mei Sun; Yuanming Pan; Leon Balents; Jin-Xiao Mi","Strong spin frustration from isolated triangular Cu(ii) trimers in SrCu(OH)3Cl with a novel cuprate layer","Journal of Materials Chemistry C","2014","2","","8170","8178","10.1039/C4TC01416B","","","0.71073","MoKα","","0.0299","0.029","","","0.0621","0.0625","","","","","","1.033","","","","has coordinates","218310","2020-10-21","18:00:00",""
"7233865","13.945","0.0002","7.63438","0.00009","19.5974","0.0003","90","","90","","90","","2086.37","0.05","100","2","100","2","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- C20 H24 F4 N6 O -","- C20 H24 F4 N6 O -","- C80 H96 F16 N24 O4 -","4","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","1.54184","CuKα","","0.0431","0.0425","","","0.1189","0.1204","","","","","","1.031","","","","has coordinates","218311","2020-10-21","18:00:00",""
"7233866","9.6007","0.0002","15.873","0.0003","7.97687","0.00018","90","","105.107","0.002","90","","1173.6","0.04","290","2","290","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H14 Cl N3 O2 -","- C10 H14 Cl N3 O2 -","- C40 H56 Cl4 N12 O8 -","4","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.04","0.0348","","","0.0976","0.1024","","","","","","1.117","","","","has coordinates","218312","2020-10-21","18:00:00",""
"7233867","9.5861","0.0002","16.1448","0.0003","8.18095","0.00016","90","","107.024","0.002","90","","1210.65","0.04","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H14 Br N3 O2 -","- C10 H14 Br N3 O2 -","- C40 H56 Br4 N12 O8 -","4","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0424","0.0384","","","0.0936","0.0974","","","","","","1.109","","","","has coordinates","218313","2020-10-21","18:00:00",""
"7233868","7.3741","0.0005","8.9009","0.0006","9.5009","0.0006","104.349","0.002","108.232","0.003","90.833","0.003","570.94","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 I N3 O -","- C10 H12 I N3 O -","- C20 H24 I2 N6 O2 -","2","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0209","0.0194","","","0.051","0.0518","","","","","","1.132","","","","has coordinates","218314","2020-10-21","18:00:00",""
"7233869","10.5575","0.00013","14.04189","0.00018","10.3887","0.00013","90","","90","","90","","1540.1","0.03","170","2","170","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Cl3 I N3 -","- C11 H11 Cl3 I N3 -","- C44 H44 Cl12 I4 N12 -","4","0.5","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0291","0.023","","","0.0489","0.0517","","","","","","1.056","","","","has coordinates,has disorder","218315","2020-10-21","18:00:00",""
"7233870","10.65379","0.00012","14.07388","0.00014","10.48437","0.0001","90","","90","","90","","1572.03","0.03","290","2","290","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Cl3 I N3 -","- C11 H11 Cl3 I N3 -","- C44 H44 Cl12 I4 N12 -","4","0.5","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0314","0.0283","","","0.0823","0.0859","","","","","","0.945","","","","has coordinates,has disorder","218316","2020-10-21","18:00:00",""
"7233871","7.1165","0.0005","9.0759","0.0007","9.812","0.0008","117.118","0.008","99.869","0.006","98.207","0.006","537.81","0.09","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 F3 N3 O Si0.5 -","- C10 H12 F3 N3 O Si0.5 -","- C20 H24 F6 N6 O2 Si -","2","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0693","0.0666","","","0.1911","0.194","","","","","","1.073","","","","has coordinates","218317","2020-10-21","18:00:00",""
"7233872","7.1604","0.001","9.0853","0.0005","9.8694","0.0006","117.066","0.002","100.294","0.003","98.373","0.003","543.33","0.09","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 F3 N3 O Si0.5 -","- C10 H12 F3 N3 O Si0.5 -","- C20 H24 F6 N6 O2 Si -","2","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.1025","0.0712","","","0.206","0.2268","","","","","","1.043","","","","has coordinates","218318","2020-10-21","18:00:00",""
"7233873","8.9204","0.0008","9.0608","0.0007","9.6164","0.0008","82.098","0.003","87.091","0.003","65.791","0.003","702.15","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 I3 N3 -","- C10 H10 I3 N3 -","- C20 H20 I6 N6 -","2","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0329","0.0285","","","0.0848","0.0876","","","","","","1.142","","","","has coordinates","218319","2020-10-21","18:00:00",""
"7233874","8.2733","0.0005","15.9517","0.001","8.636","0.0005","90","","103.447","0.003","90","","1108.48","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 B F4 N3 -","- C10 H10 B F4 N3 -","- C40 H40 B4 F16 N12 -","4","1","","Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka","Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts","Journal of Materials Chemistry C","2014","2","","8285","8294","10.1039/C4TC01165A","","","0.71073","MoKα","","0.0677","0.0469","","","0.121","0.1331","","","","","","1.082","","","","has coordinates,has disorder","218320","2020-10-21","18:00:00",""
"7233880","9.848","0.002","12.546","0.003","12.957","0.003","85.32","0.03","80.81","0.03","69.9","0.03","1483.5","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H31 N O4 S2 -","- C37 H31 N O4 S2 -","- C74 H62 N2 O8 S4 -","2","1","","Meng Li; Wei Yao; Jun-Dao Chen; Hai-Yan Lu; YongSheng Zhao; Chuan-Feng Chen","Tetrahydro[5]helicene-based full-color emission dyes in both solution and solid states: synthesis, structures, photophysical properties and optical waveguide applications","Journal of Materials Chemistry C","2014","2","","8373","8380","10.1039/C4TC01562B","","","0.71073","MoKα","","0.0674","0.0602","","","0.1498","0.1555","","","","","","1.064","","","","has coordinates,has disorder","218337","2020-10-21","18:00:00",""
"7233881","13.701","0.005","14.227","0.005","18.39","0.007","90","","109.695","0.008","90","","3375","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 N O6 -","- C43 H39 N O6 -","- C172 H156 N4 O24 -","4","1","","Meng Li; Wei Yao; Jun-Dao Chen; Hai-Yan Lu; YongSheng Zhao; Chuan-Feng Chen","Tetrahydro[5]helicene-based full-color emission dyes in both solution and solid states: synthesis, structures, photophysical properties and optical waveguide applications","Journal of Materials Chemistry C","2014","2","","8373","8380","10.1039/C4TC01562B","","","0.71073","MoKα","","0.16","0.1245","","","0.2267","0.2475","","","","","","1.214","","","","has coordinates,has disorder","218338","2020-10-21","18:00:00",""
"7233882","10.076","0.002","10.201","0.002","30.956","0.006","90","","90","","90","","3181.8","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H33 Cl2 N O4 -","- C41 H33 Cl2 N O4 -","- C164 H132 Cl8 N4 O16 -","4","1","","Meng Li; Wei Yao; Jun-Dao Chen; Hai-Yan Lu; YongSheng Zhao; Chuan-Feng Chen","Tetrahydro[5]helicene-based full-color emission dyes in both solution and solid states: synthesis, structures, photophysical properties and optical waveguide applications","Journal of Materials Chemistry C","2014","2","","8373","8380","10.1039/C4TC01562B","","","0.71073","MoKα","","0.069","0.0614","","","0.1211","0.1269","","","","","","1.086","","","","has coordinates","218339","2020-10-21","18:00:00",""
"7233883","11.8108","0.0002","11.8531","0.0002","14.4264","0.0002","86.6414","0.001","72.896","0.0009","66.2337","0.0009","1762.45","0.05","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H33 N3 -","- C49 H33 N3 -","- C98 H66 N6 -","2","1","","Shuo-Hsien Cheng; Wen-Yi Hung; Ming-Hung Cheng; Hsiao-Fan Chen; Atul Chaskar; Gene-Hsiang Lee; Shu-Hua Chou; Ken-Tsung Wong","Highly twisted biphenyl-linked carbazole-benzimidazole hybrid bipolar host materials for efficient PhOLEDs","Journal of Materials Chemistry C","2014","2","","8554","8563","10.1039/C4TC01463D","","","0.71073","MoKα","","0.0822","0.0468","","","0.1139","0.1302","","","","","","1.026","","","","has coordinates","218340","2020-10-21","18:00:00",""
"7233884","10.7471","0.0007","13.3671","0.0009","13.5963","0.0008","79.376","0.002","88.39","0.002","70.557","0.002","1809.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C49.5 H34 Cl N3 -","- C49.5 H34 Cl N3 -","- C99 H68 Cl2 N6 -","2","1","","Shuo-Hsien Cheng; Wen-Yi Hung; Ming-Hung Cheng; Hsiao-Fan Chen; Atul Chaskar; Gene-Hsiang Lee; Shu-Hua Chou; Ken-Tsung Wong","Highly twisted biphenyl-linked carbazole-benzimidazole hybrid bipolar host materials for efficient PhOLEDs","Journal of Materials Chemistry C","2014","2","","8554","8563","10.1039/C4TC01463D","","","0.71073","MoKα","","0.0973","0.0684","","","0.1319","0.1458","","","","","","1.063","","","","has coordinates,has disorder","218341","2020-10-21","18:00:00",""
"7233885","14.8683","0.0006","10.4772","0.0004","23.5294","0.001","90","","91.515","0.003","90","","3664.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N2 O Si -","- C44 H40 N2 O Si -","- C176 H160 N8 O4 Si4 -","4","1","","Kunchala Dhanunjayarao; Vanga Mukundam; Krishnan Venkatasubbaiah","A highly selective ratiometric detection of F- based on excited-state intramolecular proton-transfer (imidazole) materials","Journal of Materials Chemistry C","2014","2","","8599","8606","10.1039/C4TC01711K","","","0.71073","MoKα","","0.1277","0.0525","","","0.1243","0.1545","","","","","","0.995","","","","has coordinates","218342","2020-10-21","18:00:00",""
"7233886","10.079","0.0003","10.2068","0.0003","10.6405","0.0003","89.314","0.002","76.447","0.002","86.532","0.002","1062.2","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N2 O -","- C28 H22 N2 O -","- C56 H44 N4 O2 -","2","1","","Kunchala Dhanunjayarao; Vanga Mukundam; Krishnan Venkatasubbaiah","A highly selective ratiometric detection of F- based on excited-state intramolecular proton-transfer (imidazole) materials","Journal of Materials Chemistry C","2014","2","","8599","8606","10.1039/C4TC01711K","","","0.71073","MoKα","","0.124","0.0608","","","0.1502","0.1882","","","","","","0.971","","","","has coordinates","218343","2020-10-21","18:00:00",""
"7233887","6.758","0.01","13.15","0.02","9.269","0.014","90","","90","","90","","824","2","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C5 H6 Br N3 O2 -","- C5 H6 Br N3 O2 -","- C20 H24 Br4 N12 O8 -","4","0.5","","Tianliang Chen; Zhihua Sun; Xitao Liu; Jinyun Wang; Yuelan Zhou; Chengmin Ji; Shuquan Zhang; Lina Li; Zhong-Ning Chen; Junhua Luo","Strong enhancement of second harmonic generation in nonlinear optical crystals: 2-amino-3-nitropyridinium halides (Cl, Br, I)","Journal of Materials Chemistry C","2014","2","","8723","8728","10.1039/C4TC01002G","","","0.71073","MoKα","","0.065","0.0486","","","0.1418","0.1712","","","","","","1.219","","","","has coordinates","218344","2020-10-21","18:00:00",""
"7233888","6.702","0.003","9.243","0.004","13.476","0.005","90","","90","","90","","834.8","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H6 I N3 O2 -","- C5 H6 I N3 O2 -","- C20 H24 I4 N12 O8 -","4","1","","Tianliang Chen; Zhihua Sun; Xitao Liu; Jinyun Wang; Yuelan Zhou; Chengmin Ji; Shuquan Zhang; Lina Li; Zhong-Ning Chen; Junhua Luo","Strong enhancement of second harmonic generation in nonlinear optical crystals: 2-amino-3-nitropyridinium halides (Cl, Br, I)","Journal of Materials Chemistry C","2014","2","","8723","8728","10.1039/C4TC01002G","","","0.71073","MoKα","","0.0274","0.024","","","0.0853","0.0997","","","","","","1.25","","","","has coordinates","218345","2020-10-21","18:00:00",""
"7233889","7.22656","0.00017","18.9016","0.0004","8.35979","0.00018","90","","90","","90","","1141.89","0.04","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H4 N4 S3 -","- C12 H4 N4 S3 -","- C48 H16 N16 S12 -","4","1","","Miquel Planells; Mark Nikolka; Michael Hurhangee; Pabitra S. Tuladhar; Andrew J. P. White; James R. Durrant; Henning Sirringhaus; Iain McCulloch","The effect of thiadiazole out-backbone displacement in indacenodithiophene semiconductor polymers","Journal of Materials Chemistry C","2014","2","","8789","8795","10.1039/C4TC01500B","","","1.54184","CuKα","","0.026","0.0249","","","0.0629","0.0637","","","","","","1.055","","","","has coordinates","218346","2020-10-21","18:00:00",""
"7233890","3.8195","0.0006","12.4465","0.0014","21.229","0.002","90","","92.17","0.008","90","","1008.5","0.2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H10 F4 S4 -","- C26 H10 F4 S4 -","- C52 H20 F8 S8 -","2","0.5","","Ying Liu; Zhiyang Liu; Hao Luo; Xiaodong Xie; Ling Ai; Ziyi Ge; Gui Yu; Yunqi Liu","Benzothieno[2,3-b]thiophene semiconductors: synthesis, characterization and applications in organic field-effect transistors","Journal of Materials Chemistry C","2014","2","","8804","8810","10.1039/C4TC01688B","","","0.71073","MoKα","","0.0355","0.0292","","","0.0733","0.0763","","","","","","1.075","","","","has coordinates","218347","2020-10-21","18:00:00",""
"7233891","13.7842","0.0019","20.256","0.003","24.952","0.003","90","","90","","90","","6966.9","1.6","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C54 H52 Dy4 N26 O23 -","- C54 H52 Dy4 N26 O23 -","- C216 H208 Dy16 N104 O92 -","4","1","","Peng-Hu Guo; Yan Meng; Yan-Cong Chen; Quan-Wen Li; Bao-Ying Wang; Ji-Dong Leng; Ding-Hua Bao; Jian-Hua Jia; Ming-Liang Tong","A zigzag DyIII4 cluster exhibiting single-molecule magnet, ferroelectric and white-light emitting properties","Journal of Materials Chemistry C","2014","2","","8858","8864","10.1039/C4TC01275E","","","0.71073","MoKα","","0.0637","0.0391","","","0.0701","0.0772","","","","","","1.084","","","","has coordinates","218348","2020-10-21","18:00:00",""
"7233892","18.57","0.004","8.6164","0.0017","33.009","0.007","90","","102.42","0.03","90","","5158","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H41 Cl N2 O4 S4 -","- C66 H41 Cl N2 O4 S4 -","- C264 H164 Cl4 N8 O16 S16 -","4","0.5","","Jing Zhang; Guangyao Zhao; Yunke Qin; Jiahui Tan; Hua Geng; Wei Xu; Wenping Hu; Zhigang Shuai; Daoben Zhu","Enhancement of the p-channel performance of sulfur-bridged annulene through a donor-acceptor co-crystal approach","Journal of Materials Chemistry C","2014","2","","8886","8891","10.1039/C4TC01876A","","","0.71073","MoKα","","0.0934","0.0733","","","0.1326","0.141","","","","","","1.191","","","","has coordinates,has disorder","218349","2020-10-21","18:00:00",""
"7233893","5.9639","0.0018","7.509","0.002","50.362","0.015","90","","92.826","0.007","90","","2252.6","1.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H14 S6 -","- C28 H14 S6 -","- C112 H56 S24 -","4","1","","Ming-Chou Chen; Sureshraju Vegiraju; Chi-Ming Huang; Peng-Yi Huang; Kumaresan Prabakaran; Shueh Lin Yau; Wei-Chih Chen; Wei-Tao Peng; Ito Chao; Choongik Kim; Yu-Tai Tao","Asymmetric fused thiophenes for field-effect transistors: crystal structure-film microstructure-transistor performance correlations","Journal of Materials Chemistry C","2014","2","","8892","8902","10.1039/C4TC01454E","","","0.71073","MoKα","","0.2014","0.0698","","","0.1613","0.2479","","","","","","0.957","","","","has coordinates","218350","2020-10-21","18:00:00",""
"7233894","7.468","0.004","5.916","0.003","34.719","0.015","90","","94.01","0.04","90","","1530.2","1.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 S3 -","- C20 H12 S3 -","- C80 H48 S12 -","4","1","","Ming-Chou Chen; Sureshraju Vegiraju; Chi-Ming Huang; Peng-Yi Huang; Kumaresan Prabakaran; Shueh Lin Yau; Wei-Chih Chen; Wei-Tao Peng; Ito Chao; Choongik Kim; Yu-Tai Tao","Asymmetric fused thiophenes for field-effect transistors: crystal structure-film microstructure-transistor performance correlations","Journal of Materials Chemistry C","2014","2","","8892","8902","10.1039/C4TC01454E","","","0.71073","MoKα","","0.2708","0.1599","","","0.3548","0.4062","","","","","","1.09","","","","has coordinates","218351","2020-10-21","18:00:00",""
"7233895","3.8338","0.0005","5.8334","0.0008","26.039","0.004","86.15","0.009","87.916","0.01","87.044","0.009","579.93","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H9 F5 S6 -","- C28 H9 F5 S6 -","- C28 H9 F5 S6 -","1","0.5","","Ming-Chou Chen; Sureshraju Vegiraju; Chi-Ming Huang; Peng-Yi Huang; Kumaresan Prabakaran; Shueh Lin Yau; Wei-Chih Chen; Wei-Tao Peng; Ito Chao; Choongik Kim; Yu-Tai Tao","Asymmetric fused thiophenes for field-effect transistors: crystal structure-film microstructure-transistor performance correlations","Journal of Materials Chemistry C","2014","2","","8892","8902","10.1039/C4TC01454E","","","0.71073","MoKα","","0.1096","0.0692","","","0.1767","0.2001","","","","","","1.064","","","","has coordinates,has disorder","218352","2020-10-21","18:00:00",""
"7233896","5.8734","0.0002","36.1226","0.0012","7.4967","0.0002","90","","91.667","0.002","90","","1589.85","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H7 F5 S3 -","- C20 H7 F5 S3 -","- C80 H28 F20 S12 -","4","1","","Ming-Chou Chen; Sureshraju Vegiraju; Chi-Ming Huang; Peng-Yi Huang; Kumaresan Prabakaran; Shueh Lin Yau; Wei-Chih Chen; Wei-Tao Peng; Ito Chao; Choongik Kim; Yu-Tai Tao","Asymmetric fused thiophenes for field-effect transistors: crystal structure-film microstructure-transistor performance correlations","Journal of Materials Chemistry C","2014","2","","8892","8902","10.1039/C4TC01454E","","","0.71073","MoKα","","0.0706","0.0648","","","0.17","0.1789","","","","","","1.251","","","","has coordinates","218353","2020-10-21","18:00:00",""
"7233897","11.1992","0.0004","12.9239","0.0005","21.1547","0.0007","91.865","0.002","103.252","0.002","114.341","0.002","2687.41","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C58.86 H78.46 N3 O10.87 -","- C58.863 H78.452 N3 O10.863 -","- C117.726 H156.904 N6 O21.726 -","2","1","","Issam Oueslati; Jose A. Paixao; Aleksander Shkurenko; Kinga Suwinska; J. Sergio Seixas de Melo; Luis A. E. Batista de Carvalho","Highly ordered luminescent calix[4]azacrown films showing an emission response selective to volatile tetrahydrofuran","Journal of Materials Chemistry C","2014","2","","9012","9020","10.1039/C4TC01596G","","","0.7107","MoKα","","0.1306","0.0822","","","0.2279","0.2481","","","","","","1.079","","","","has coordinates,has disorder","218354","2020-10-21","18:00:00",""
"7233898","10.5419","0.0008","10.7871","0.0007","11.8223","0.0008","76.942","0.001","83.065","0.001","65.926","0.001","1195.1","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H16 Eu N2 O7 -","- C27 H16 Eu N2 O7 -","- C54 H32 Eu2 N4 O14 -","2","1","","Dou Ma; Xia Li; Rui Huo","A high-efficiency white light-emitting lanthanide-organic framework assembled from 4,4'-oxybis(benzoic acid), 1,10-phenanthroline and oxalate","Journal of Materials Chemistry C","2014","2","","9073","9076","10.1039/C4TC01409J","","","0.71073","MoKα","","0.0433","0.0363","","","0.0862","0.1012","","","","","","1.088","","","","has coordinates","218355","2020-10-21","18:00:00",""
"7233899","10.4973","0.0009","10.7315","0.0009","11.7907","0.0011","76.992","0.001","83.05","0.002","66.022","0.001","1181.82","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H16 N2 O7 Tb -","- C27 H16 N2 O7 Tb -","- C54 H32 N4 O14 Tb2 -","2","1","","Dou Ma; Xia Li; Rui Huo","A high-efficiency white light-emitting lanthanide-organic framework assembled from 4,4'-oxybis(benzoic acid), 1,10-phenanthroline and oxalate","Journal of Materials Chemistry C","2014","2","","9073","9076","10.1039/C4TC01409J","","","0.71073","MoKα","","0.0343","0.0299","","","0.0748","0.0778","","","","","","0.88","","","","has coordinates","218356","2020-10-21","18:00:00",""
"7233900","10.5261","0.0012","10.7578","0.0013","11.8168","0.0013","76.911","0.002","83.003","0.002","65.981","0.002","1189.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H16 Gd N2 O7 -","- C27 H16 Gd N2 O7 -","- C54 H32 Gd2 N4 O14 -","2","1","","Dou Ma; Xia Li; Rui Huo","A high-efficiency white light-emitting lanthanide-organic framework assembled from 4,4'-oxybis(benzoic acid), 1,10-phenanthroline and oxalate","Journal of Materials Chemistry C","2014","2","","9073","9076","10.1039/C4TC01409J","","","0.71073","MoKα","","0.0821","0.0548","","","0.1069","0.1228","","","","","","0.909","","","","has coordinates","218358","2020-10-21","18:00:00",""
"7233901","6.7075","0.0008","17.804","0.002","24.778","0.003","79.629","0.002","85.17","0.002","83.157","0.003","2883.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 N6 O4 Pt -","- C60 H84 N6 O4 Pt -","- C120 H168 N12 O8 Pt2 -","2","1","","Cristian Cuerva; Jose A. Campo; Paloma Ovejero; M. Rosario Torres; Elisabete Oliveira; Sergio M. Santos; Carlos Lodeiro; Mercedes Cano","Columnar discotic Pt(ii) metallomesogens as luminescence multifunctional materials with chemo and thermosensor abilities","Journal of Materials Chemistry C","2014","2","","9167","9181","10.1039/C4TC01666A","","","0.71073","MoKα","","0.1548","0.0608","","","0.1277","0.1687","","","","","","0.998","","","","has coordinates","218359","2020-10-21","18:00:00",""
"7233902","13.794","0.007","4.462","0.004","11.963","0.007","90","","110.23","0.04","90","","690.9","0.8","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Br2 N2 O2 -","- C16 H8 Br2 N2 O2 -","- C32 H16 Br4 N4 O4 -","2","0.5","","Oratai Pitayatanakul; Toshiki Higashino; Tomofumi Kadoya; Masaki Tanaka; Hirotaka Kojima; Minoru Ashizawa; Tadashi Kawamoto; Hidetoshi Matsumoto; Ken Ishikawa; Takehiko Mori","High performance ambipolar organic field-effect transistors based on indigo derivatives","Journal of Materials Chemistry C","2014","2","","9311","9317","10.1039/C4TC01563K","","","0.71069","MoKα","","","0.0447","","","","0.1328","","","","","","1.005","","","","has coordinates","218360","2020-10-21","18:00:00",""
"7233903","21.2805","0.0006","7.0108","0.0002","6.5404","0.0002","90","","92.739","0.002","90","","974.67","0.05","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N2 O2 -","- C28 H18 N2 O2 -","- C56 H36 N4 O4 -","2","0.5","","Oratai Pitayatanakul; Toshiki Higashino; Tomofumi Kadoya; Masaki Tanaka; Hirotaka Kojima; Minoru Ashizawa; Tadashi Kawamoto; Hidetoshi Matsumoto; Ken Ishikawa; Takehiko Mori","High performance ambipolar organic field-effect transistors based on indigo derivatives","Journal of Materials Chemistry C","2014","2","","9311","9317","10.1039/C4TC01563K","","","1.54187","CuKα","","","0.0692","","","","0.2044","","","","","","0.956","","","","has coordinates","218361","2020-10-21","18:00:00",""
"7233904","4.771","0.001","7.21","0.0014","13.036","0.003","90","","97.76","0.03","90","","444.32","0.17","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Lead(II) propanoate","Lead(II) propionate","","- C6 H10 O4 Pb -","- C6 H10 O4 Pb -","- C12 H20 O8 Pb2 -","2","0.5","","Francisco J. Martinez-Casado; Miguel Ramos-Riesco; Jose A. Rodriguez-Cheda; Fabio Cucinotta; Alejandro Fernandez-Martinez; Leoncio Garrido; Emilio Matesanz; Leonardo Marchese","Short lead(ii) soaps: from weakly fluorescent crystals to strongly phosphorescent and structurally varied vitreous phases. A thermal, structural and spectroscopic study","Journal of Materials Chemistry C","2014","2","","9489","9496","10.1039/C4TC01645A","","","0.9779","Synchrotron","","0.073","0.0715","","","0.1713","0.1749","","","","","","1.067","","","","has coordinates","218362","2020-10-21","18:00:00",""
"7233905","4.744","0.0009","7.211","0.0014","17.982","0.004","91.74","0.03","96.27","0.03","90.85","0.03","611.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Lead(II) Valerate","Lead(II) Pentanoate","","- C10 H18 O4 Pb -","- C10 H18 O4 Pb -","- C20 H36 O8 Pb2 -","2","1","","Francisco J. Martinez-Casado; Miguel Ramos-Riesco; Jose A. Rodriguez-Cheda; Fabio Cucinotta; Alejandro Fernandez-Martinez; Leoncio Garrido; Emilio Matesanz; Leonardo Marchese","Short lead(ii) soaps: from weakly fluorescent crystals to strongly phosphorescent and structurally varied vitreous phases. A thermal, structural and spectroscopic study","Journal of Materials Chemistry C","2014","2","","9489","9496","10.1039/C4TC01645A","","","0.9779","Synchrotron","","0.0487","0.0482","","","0.1302","0.1311","","","","","","1.088","","","","has coordinates","218363","2020-10-21","18:00:00",""
"7233906","4.74","0.0009","7.192","0.0014","20.573","0.004","86.98","0.03","84.79","0.03","89.18","0.03","697.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Lead(II) hexanoate","'Lead(II) hexanoate'","","- C12 H22 O4 Pb -","- C12 H22 O4 Pb -","- C24 H44 O8 Pb2 -","2","1","","Francisco J. Martinez-Casado; Miguel Ramos-Riesco; Jose A. Rodriguez-Cheda; Fabio Cucinotta; Alejandro Fernandez-Martinez; Leoncio Garrido; Emilio Matesanz; Leonardo Marchese","Short lead(ii) soaps: from weakly fluorescent crystals to strongly phosphorescent and structurally varied vitreous phases. A thermal, structural and spectroscopic study","Journal of Materials Chemistry C","2014","2","","9489","9496","10.1039/C4TC01645A","","","0.7379","Synchrotron","","0.05","0.0499","","","0.1428","0.1431","","","","","","1.038","","","","has coordinates","218364","2020-10-21","18:00:00",""
"7233907","4.7781","0.00005","7.21366","0.00007","13.0582","0.0001","90","","97.8573","0.0009","90","","445.859","0.007","298","2","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Lead(II) propionate","","","- C6 H10 O4 Pb -","- C6 H10 O4 Pb -","- C12 H20 O8 Pb2 -","2","0.5","","Francisco J. Martinez-Casado; Miguel Ramos-Riesco; Jose A. Rodriguez-Cheda; Fabio Cucinotta; Alejandro Fernandez-Martinez; Leoncio Garrido; Emilio Matesanz; Leonardo Marchese","Short lead(ii) soaps: from weakly fluorescent crystals to strongly phosphorescent and structurally varied vitreous phases. A thermal, structural and spectroscopic study","Journal of Materials Chemistry C","2014","2","","9489","9496","10.1039/C4TC01645A","powder diffraction","","1.54056","CuKα","","","","","","","","","6.3348","1.32","","","","","","","has coordinates","218365","2020-10-21","18:00:00",""
"7233908","4.82727","0.00006","7.27531","0.00007","18.08886","0.00016","91.2653","0.0013","96.9135","0.001","91.2613","0.0012","630.311","0.011","298","2","298","","","","","","","","","4","P -1","-P 1","2","Lead(II) pentanoate","","","- C10 H18 O4 Pb -","- C10 H18 O4 Pb -","- C20 H36 O8 Pb2 -","2","1","","Francisco J. Martinez-Casado; Miguel Ramos-Riesco; Jose A. Rodriguez-Cheda; Fabio Cucinotta; Alejandro Fernandez-Martinez; Leoncio Garrido; Emilio Matesanz; Leonardo Marchese","Short lead(ii) soaps: from weakly fluorescent crystals to strongly phosphorescent and structurally varied vitreous phases. A thermal, structural and spectroscopic study","Journal of Materials Chemistry C","2014","2","","9489","9496","10.1039/C4TC01645A","powder diffraction","","1.54056","CuKα","","","","","","","","","4.3645","1.16","","","","","","","has coordinates","218366","2020-10-21","18:00:00",""
"7233909","4.83942","0.00009","7.30791","0.00013","20.6726","0.0005","91.969","0.002","95.6808","0.0017","88.8359","0.0017","726.98","0.03","298","2","298","","","","","","","","","4","P -1","-P 1","2","Lead(II) hexanoate","","","- C12 H22 O4 Pb -","- C12 H22 O4 Pb -","- C24 H44 O8 Pb2 -","2","1","","Francisco J. Martinez-Casado; Miguel Ramos-Riesco; Jose A. Rodriguez-Cheda; Fabio Cucinotta; Alejandro Fernandez-Martinez; Leoncio Garrido; Emilio Matesanz; Leonardo Marchese","Short lead(ii) soaps: from weakly fluorescent crystals to strongly phosphorescent and structurally varied vitreous phases. A thermal, structural and spectroscopic study","Journal of Materials Chemistry C","2014","2","","9489","9496","10.1039/C4TC01645A","powder diffraction","","0.8266","","","","","","","","","","4.238","2.12","","","","","","","has coordinates","218367","2020-10-21","18:00:00",""
"7233925","14.306","0.003","10.163","0.002","13.511","0.003","90","","90","","90","","1964.4","0.7","293","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H17 B F2 N2 O -","- C25 H17 B F2 N2 O -","- C100 H68 B4 F8 N8 O4 -","4","1","","Zhenqi Zhang; Pengchong Xue; Peng Gong; Gonghe Zhang; Jiang Peng; Ran Lu","Mechanofluorochromic behaviors of beta-iminoenolate boron complexes functionalized with carbazole","Journal of Materials Chemistry C","2014","2","","9543","9551","10.1039/C4TC01639D","","","0.71073","MoKα","","0.0446","0.0382","","","0.0919","0.0948","","","","","","1.045","","","","has coordinates","218415","2020-10-21","18:00:00",""
"7233926","13.6274","0.0004","18.3852","0.0006","18.7086","0.0006","106.273","0.004","100.944","0.004","96.639","0.004","4346.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H87 B Cr F24 N5 O2 -","- C86 H87 B Cr F24 N5 O2 -","- C172 H174 B2 Cr2 F48 N10 O4 -","2","1","","Benjamin D. Lindner; Fabian Paulus; Anthony L. Appleton; Manuel Schaffroth; Jens U. Engelhart; Korwin M. Schelkle; Olena Tverskoy; Frank Rominger; Manuel Hamburger; Uwe H. F. Bunz","Electron-transporting phenazinothiadiazoles with engineered microstructure","Journal of Materials Chemistry C","2014","2","","9609","9612","10.1039/C4TC01992J","","","0.71073","MoKα","","0.0983","0.0713","","","0.1783","0.2012","","","","","","1.015","","","","has coordinates,has disorder","218416","2020-10-21","18:00:00",""
"7233927","18.3275","0.0011","18.7403","0.0011","63.453","0.003","90","","90","","90","","21794","2","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C111 H85 B2 Cl2 Cr F48 N5 -","- C111 H85 B2 Cl2 Cr F48 N5 -","- C888 H680 B16 Cl16 Cr8 F384 N40 -","8","1","","Benjamin D. Lindner; Fabian Paulus; Anthony L. Appleton; Manuel Schaffroth; Jens U. Engelhart; Korwin M. Schelkle; Olena Tverskoy; Frank Rominger; Manuel Hamburger; Uwe H. F. Bunz","Electron-transporting phenazinothiadiazoles with engineered microstructure","Journal of Materials Chemistry C","2014","2","","9609","9612","10.1039/C4TC01992J","","","0.71073","MoKα","","0.0853","0.0535","","","0.1298","0.1468","","","","","","1.05","","","","has coordinates","218417","2020-10-21","18:00:00",""
"7233928","10.6258","0.0012","8.5953","0.001","15.2192","0.0017","90","","102.317","0.002","90","","1358","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cu2 N4 O4 -","- C36 H24 Cu2 N4 O4 -","- C72 H48 Cu4 N8 O8 -","2","0.5","","Benjamin D. Lindner; Fabian Paulus; Anthony L. Appleton; Manuel Schaffroth; Jens U. Engelhart; Korwin M. Schelkle; Olena Tverskoy; Frank Rominger; Manuel Hamburger; Uwe H. F. Bunz","Electron-transporting phenazinothiadiazoles with engineered microstructure","Journal of Materials Chemistry C","2014","2","","9609","9612","10.1039/C4TC01992J","","","0.71073","MoKα","","0.0551","0.0485","","","0.1119","0.1152","","","","","","1.144","","","","has coordinates","218418","2020-10-21","18:00:00",""
"7233929","12.726","0.003","13.004","0.003","14.943","0.004","90","","90","","90","","2472.9","1.1","","","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(S)-1-benzylpyrrolidin-2-yl)di(naphthalen-1-yl)]methanol","","- C32 H29 N O -","- C32 H29 N O -","- C128 H116 N4 O4 -","4","1","","Benjamin D. Lindner; Fabian Paulus; Anthony L. Appleton; Manuel Schaffroth; Jens U. Engelhart; Korwin M. Schelkle; Olena Tverskoy; Frank Rominger; Manuel Hamburger; Uwe H. F. Bunz","Electron-transporting phenazinothiadiazoles with engineered microstructure","Journal of Materials Chemistry C","2014","2","","9609","9612","10.1039/C4TC01992J","","","0.71073","MoKα","","0.1001","0.0413","","","0.0763","0.0866","","","","","","","","","","has coordinates","218419","2020-10-21","18:00:00",""
"7233930","22.367","0.005","27.369","0.006","14.946","0.003","90","","114.32","0.03","90","","8337","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H44.5 F3 N6.5 O6 Pt S -","- C42 H40 F3 N6.5 O6 Pt S -","- C336 H320 F24 N52 O48 Pt8 S8 -","8","1","","Benjamin D. Lindner; Fabian Paulus; Anthony L. Appleton; Manuel Schaffroth; Jens U. Engelhart; Korwin M. Schelkle; Olena Tverskoy; Frank Rominger; Manuel Hamburger; Uwe H. F. Bunz","Electron-transporting phenazinothiadiazoles with engineered microstructure","Journal of Materials Chemistry C","2014","2","","9609","9612","10.1039/C4TC01992J","","","0.71073","MoKα","","0.1301","0.0464","","","0.1007","0.1136","","","","","","0.767","","","","has coordinates","218420","2020-10-21","18:00:00",""
"7233931","7.1119","0.0017","7.1154","0.0017","10.282","0.002","90","","90.989","0.004","90","","520.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H8 B F2 O3 -","- C10 H8 B F2 O3 -","- C20 H16 B2 F4 O6 -","2","0.5","","Ignacio Sanchez; Cristina Nunez; Jose Antonio Campo; M. Rosario Torres; Mercedes Cano; Carlos Lodeiro","Polycatenar unsymmetrical beta-diketonate ligands as a useful tool to induce columnar mesomorphism on highly luminescent boron difluoride complexes","Journal of Materials Chemistry C","2014","2","","9653","9655","10.1039/C4TC01373E","","","0.71073","MoKα","","0.1052","0.0378","","","0.0785","0.0919","","","","","","0.995","","","","has coordinates","218421","2020-10-21","18:00:00",""
"7233932","10.0654","0.0011","36.749","0.004","13.944","0.0015","90","0.002","105.757","0.002","90","0.002","4964","0.9","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H72 B Cl F2 N2 P2 Pt -","- C45 H72 B Cl F2 N2 P2 Pt -","- C180 H288 B4 Cl4 F8 N8 P8 Pt4 -","4","1","","Huiru Jia; Betul Kucukoz; Yongheng Xing; Poulomi Majumdar; Caishun Zhang; Ahmet Karatay; Gul Yaglioglu; Ayhan Elmali; Jianzhang Zhao; Mustafa Hayvali","trans-Bis(alkylphosphine) platinum(ii)-alkynyl complexes showing broadband visible light absorption and long-lived triplet excited states","Journal of Materials Chemistry C","2014","2","","9720","9736","10.1039/C4TC01675K","","","0.71073","MoKα","","0.1274","0.0635","","","0.1313","0.1551","","","","","","1.022","","","","has coordinates,has disorder","218422","2020-10-21","18:00:00",""
"7233933","10.6047","0.0003","13.7982","0.0005","19.705","0.0007","90","","90","","90","","2883.35","0.17","293","2","293","2","","","","","","","","7","I m c m","-I 2 2a","74","","","","- C6 H4 Br8 Cd Mo6 N6 O2 -","- C6 Br8 Cd Mo6 N6 O2 -","- C24 Br32 Cd4 Mo24 N24 O8 -","4","0.25","","Maria Amela-Cortes; Stephane Cordier; Nikolay G. Naumov; Cristelle Meriadec; Franck Artzner; Yann Molard","Hexacyano octahedral metallic clusters as versatile building blocks in the design of extended polymeric framework and clustomesogens","Journal of Materials Chemistry C","2014","2","","9813","9823","10.1039/C4TC02098G","","","0.71073","MoKα","","0.0475","0.0344","","","0.0791","0.0828","","","","","","1.088","","","","has coordinates","218423","2020-10-21","18:00:00",""
"7233934","9.5653","0.0013","11.8383","0.0016","14.678","0.002","102.839","0.003","96.717","0.003","102.722","0.003","1556.5","0.4","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H31 N3 -","- C44 H31 N3 -","- C88 H62 N6 -","2","1","","Zhiwen Zheng; Qingchen Dong; Liao Gou; Jian-Hua Su; Jinhai Huang","Novel hole transport materials based on N,N'-disubstituted-dihydrophenazine derivatives for electroluminescent diodes","Journal of Materials Chemistry C","2014","2","","9858","9865","10.1039/C4TC01965B","","","0.71073","MoKα","","0.1262","0.0604","","","0.1189","0.1466","","","","","","0.946","","","","has coordinates","218425","2020-10-21","18:00:00",""
"7233935","9.322","0.005","12.934","0.007","14.662","0.008","75.264","0.009","81.913","0.01","71.406","0.011","1617","1.5","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H31 Cl N3 -","- C45 H31 Cl N3 -","- C90 H62 Cl2 N6 -","2","1","","Zhiwen Zheng; Qingchen Dong; Liao Gou; Jian-Hua Su; Jinhai Huang","Novel hole transport materials based on N,N'-disubstituted-dihydrophenazine derivatives for electroluminescent diodes","Journal of Materials Chemistry C","2014","2","","9858","9865","10.1039/C4TC01965B","","","0.71073","MoKα","","0.1697","0.0729","","","0.1722","0.2258","","","","","","0.962","","","","has coordinates","218426","2020-10-21","18:00:00",""
"7233936","9.4937","0.0015","10.0154","0.0016","21.812","0.004","101.429","0.004","97.164","0.005","104.122","0.003","1938.4","0.6","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H36 Cl2 N4 -","- C52 H36 Cl2 N4 -","- C104 H72 Cl4 N8 -","2","1","","Zhiwen Zheng; Qingchen Dong; Liao Gou; Jian-Hua Su; Jinhai Huang","Novel hole transport materials based on N,N'-disubstituted-dihydrophenazine derivatives for electroluminescent diodes","Journal of Materials Chemistry C","2014","2","","9858","9865","10.1039/C4TC01965B","","","0.71073","MoKα","","0.1312","0.0755","","","0.1931","0.2283","","","","","","0.962","","","","has coordinates","218427","2020-10-21","18:00:00",""
"7233937","8.15","0.03","8.52","0.04","8.77","0.03","82.77","0.19","65.14","0.13","79.9","0.2","543","4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C6 H16 Cl N O4 -","- C6 H16 Cl N O4 -","- C12 H32 Cl2 N2 O8 -","2","2","","Kaige Gao; Minqiang Gu; Xiangbiao Qiu; X. N. Ying; Heng-Yun Ye; Yi Zhang; Jinglan Sun; Xiangjian Meng; F. M. Zhang; Di Wu; Hong-Ling Cai; X. S. Wu","Above-room-temperature molecular ferroelectric and fast switchable dielectric of diisopropylammonium perchlorate","Journal of Materials Chemistry C","2014","2","","9957","9963","10.1039/C4TC01882F","","","0.71073","MoKα","","0.1572","0.1098","","","0.2912","0.345","","","","","","1.081","","","","has coordinates","218436","2020-10-21","18:00:00",""
"7233938","17.662","0.009","8.786","0.0005","16.671","0.004","90","","118.59","0.024","90","","2271.5","1.4","383","","383","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cl N O4 -","- C6 H16 Cl N O4 -","- C48 H128 Cl8 N8 O32 -","8","2","","Kaige Gao; Minqiang Gu; Xiangbiao Qiu; X. N. Ying; Heng-Yun Ye; Yi Zhang; Jinglan Sun; Xiangjian Meng; F. M. Zhang; Di Wu; Hong-Ling Cai; X. S. Wu","Above-room-temperature molecular ferroelectric and fast switchable dielectric of diisopropylammonium perchlorate","Journal of Materials Chemistry C","2014","2","","9957","9963","10.1039/C4TC01882F","powder diffraction","x-ray","1.5405","CuKα","","","","","","","","0.30115","","1.96","","","","","","","has coordinates","218437","2020-10-21","18:00:00",""
"7233939","11.7143","0.001","7.8255","0.0007","13.5651","0.0012","90","","98.445","0.002","90","","1230.03","0.19","185","2","185","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 S4 -","- C26 H32 S4 -","- C52 H64 S8 -","2","0.5","","Li Wang; Xiaojie Zhang; Jidong Zhang; Hongkun Tian; Yunfeng Lu; Yanhou Geng; Fosong Wang","Synthesis and characterization of oligo(2,5-bis(3-dodecylthiophen-2-yl)thieno[3,2-b]thiophene)s: effect of the chain length and end-groups on their optical and charge transport properties","Journal of Materials Chemistry C","2014","2","","9978","9986","10.1039/C4TC01899K","","","0.71073","MoKα","","0.0478","0.0407","","","0.1129","0.1204","","","","","","1.096","","","","has coordinates","218521","2020-10-21","18:00:00",""
"7233940","12.9634","0.0018","13.1087","0.0018","13.8909","0.0018","85.137","0.005","68.466","0.005","84.926","0.004","2183.7","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","zincmetalorganicframework","","","- C34 H16 N2 O8 Zn2 -","- C34 H16 N2 O8 Zn2 -","- C68 H32 N4 O16 Zn4 -","2","1","","K. S. Asha; Kalishankar Bhattacharyya; Sukhendu Mandal","Discriminative detection of nitro aromatic explosives by a luminescent metal-organic framework","Journal of Materials Chemistry C","2014","2","","10073","10081","10.1039/C4TC01982B","","","0.71073","MoKα","","0.1369","0.0929","","","0.2421","0.2614","","","","","","0.937","","","","has coordinates","218522","2020-10-21","18:00:00",""
"7233941","5.8555","0.0005","7.4803","0.0006","24.756","0.002","90","","97.081","0.008","90","","1076.06","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Betainium Chlorodifluoroacetate","","- C7 H12 Cl F2 N O4 -","- C7 H12 Cl F2 N O4 -","- C28 H48 Cl4 F8 N4 O16 -","4","1","","Zhihua Sun; Shuquan Zhang; Chengmin Ji; Tianliang Chen; Junhua Luo","Exceptional dielectric performance induced by the stepwise reversible phase transitions of an organic crystal: betainium chlorodifluoroacetate","Journal of Materials Chemistry C","2014","2","","10337","10342","10.1039/C4TC01925C","","","0.71073","MoKα","","0.0729","0.0517","","","0.107","0.1212","","","","","","1.104","","","","has coordinates","218523","2020-10-21","18:00:00",""
"7233942","5.8521","0.0003","7.517","0.0004","12.737","0.0006","90","","94.458","0.005","90","","558.61","0.05","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl F2 N O4 -","- C7 H12 Cl F2 N O4 -","- C14 H24 Cl2 F4 N2 O8 -","2","0.5","","Zhihua Sun; Shuquan Zhang; Chengmin Ji; Tianliang Chen; Junhua Luo","Exceptional dielectric performance induced by the stepwise reversible phase transitions of an organic crystal: betainium chlorodifluoroacetate","Journal of Materials Chemistry C","2014","2","","10337","10342","10.1039/C4TC01925C","","","0.71073","MoKα","","0.0986","0.0874","","","0.1571","0.1629","","","","","","1.134","","","","has coordinates","218524","2020-10-21","18:00:00",""
"7233943","5.8745","0.0003","7.5347","0.0003","12.7728","0.0006","90","","94.896","0.004","90","","563.29","0.05","200","2","200","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl F2 N O4 -","- C7 H12 Cl F2 N O4 -","- C14 H24 Cl2 F4 N2 O8 -","2","0.5","","Zhihua Sun; Shuquan Zhang; Chengmin Ji; Tianliang Chen; Junhua Luo","Exceptional dielectric performance induced by the stepwise reversible phase transitions of an organic crystal: betainium chlorodifluoroacetate","Journal of Materials Chemistry C","2014","2","","10337","10342","10.1039/C4TC01925C","","","0.71073","MoKα","","0.1039","0.0875","","","0.1755","0.1864","","","","","","1.095","","","","has coordinates","218525","2020-10-21","18:00:00",""
"7233944","5.8905","0.0003","7.5414","0.0005","12.7949","0.0007","90","","95.151","0.005","90","","566.09","0.06","230","2","230","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl F2 N O4 -","- C7 H13 Cl F2 N O4 -","- C14 H26 Cl2 F4 N2 O8 -","2","0.5","","Zhihua Sun; Shuquan Zhang; Chengmin Ji; Tianliang Chen; Junhua Luo","Exceptional dielectric performance induced by the stepwise reversible phase transitions of an organic crystal: betainium chlorodifluoroacetate","Journal of Materials Chemistry C","2014","2","","10337","10342","10.1039/C4TC01925C","","","0.71073","MoKα","","0.1026","0.0862","","","0.1699","0.1799","","","","","","1.072","","","","has coordinates","218526","2020-10-21","18:00:00",""
"7233945","51.381","0.0014","7.987","0.0002","26.1603","0.0007","90","","114.761","0.002","90","","9748.7","0.5","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","PtCz","FPtCzND","","- C124 H72 F8 N16 O4 Pt4 -","- C124 H72 F8 N16 O4 Pt4 -","- C496 H288 F32 N64 O16 Pt16 -","4","0.5","","Anurach Poloek; Chiao-Wen Lin; Chin-Ti Chen; Chao-Tsen Chen","High colour rendering index and colour stable hybrid white efficient OLEDs with a double emitting layer structure using a single phosphorescence dopant of heteroleptic platinum complexes","Journal of Materials Chemistry C","2014","2","","10343","10356","10.1039/C4TC01791A","","","0.71073","MoKα","","0.0332","0.0282","","","0.0707","0.0728","","","","","","1.109","","","","has coordinates","218527","2020-10-21","18:00:00",""
"7233946","14.9476","0.0008","19.1171","0.0008","6.8875","0.0003","90","","98.29","0.004","90","","1947.57","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PtOPh","FPtOPhND","","- C25 H15 F2 N3 O2 Pt -","- C25 H15 F2 N3 O2 Pt -","- C100 H60 F8 N12 O8 Pt4 -","4","1","","Anurach Poloek; Chiao-Wen Lin; Chin-Ti Chen; Chao-Tsen Chen","High colour rendering index and colour stable hybrid white efficient OLEDs with a double emitting layer structure using a single phosphorescence dopant of heteroleptic platinum complexes","Journal of Materials Chemistry C","2014","2","","10343","10356","10.1039/C4TC01791A","","","0.71073","MoKα","","0.0519","0.0316","","","0.0493","0.0545","","","","","","1.03","","","","has coordinates","218528","2020-10-21","18:00:00",""
"7233947","8.403","0.0006","9.035","0.0011","14.003","0.0013","103.453","0.009","106.211","0.012","94.229","0.01","981.83","0.19","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","2-{11-[4,5-bis(butylsulfanyl)-1,3-dithiolan-2- ylidene]-5H,11H-indeno[1,2-b]fluoren-5-ylidene}- 4,5-bis(butylsulfanyl)-1,3-dithiolane","","- C42 H46 S8 -","- C42 H46 S8 -","- C42 H46 S8 -","1","0.5","","Mikkel A. Christensen; Christian R. Parker; Thomas Just Sorensen; Sebastian de Graaf; Thorbjorn J. Morsing; Theis Brock-Nannestad; Jesper Bendix; Michael M. Haley; Peter Rapta; Andrey Danilov; Sergey Kubatkin; Ole Hammerich; Mogens Brondsted Nielsen","Mixed valence radical cations and intermolecular complexes derived from indenofluorene-extended tetrathiafulvalenes","Journal of Materials Chemistry C","2014","2","","10428","10438","10.1039/C4TC02178A","","","0.71073","MoKα","","0.0404","0.03","","","0.0749","0.0819","","","","","","1.034","","","","has coordinates","218530","2020-10-21","18:00:00",""
"7233948","7.3803","0.0008","15.8329","0.0015","16.5567","0.0015","115.025","0.003","92.031","0.004","96.727","0.004","1733.2","0.3","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 B1.5 F6 S8 -","- C34 H30 B1.5 F6 S8 -","- C68 H60 B3 F12 S16 -","2","1","","Mikkel A. Christensen; Christian R. Parker; Thomas Just Sorensen; Sebastian de Graaf; Thorbjorn J. Morsing; Theis Brock-Nannestad; Jesper Bendix; Michael M. Haley; Peter Rapta; Andrey Danilov; Sergey Kubatkin; Ole Hammerich; Mogens Brondsted Nielsen","Mixed valence radical cations and intermolecular complexes derived from indenofluorene-extended tetrathiafulvalenes","Journal of Materials Chemistry C","2014","2","","10428","10438","10.1039/C4TC02178A","","","0.71073","MoKα","","0.1418","0.0804","","","0.198","0.2365","","","","","","1.0575","","","","has coordinates,has disorder","218531","2020-10-21","18:00:00",""
"7233949","24.306","0.003","24.77","0.003","6.7903","0.0006","90","","104.828","0.006","90","","3952","0.8","122","2","122","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 S8 -","- C34 H30 S8 -","- C136 H120 S32 -","4","0.5","","Mikkel A. Christensen; Christian R. Parker; Thomas Just Sorensen; Sebastian de Graaf; Thorbjorn J. Morsing; Theis Brock-Nannestad; Jesper Bendix; Michael M. Haley; Peter Rapta; Andrey Danilov; Sergey Kubatkin; Ole Hammerich; Mogens Brondsted Nielsen","Mixed valence radical cations and intermolecular complexes derived from indenofluorene-extended tetrathiafulvalenes","Journal of Materials Chemistry C","2014","2","","10428","10438","10.1039/C4TC02178A","","","0.71073","MoKα","","0.1286","0.0793","","","0.2443","0.286","","","","","","1.0265","","","","has coordinates,has disorder","218532","2020-10-21","18:00:00",""
"7233950","5.2379","0.0016","15.5022","0.0008","19.0966","0.0011","90","","97.145","0.002","90","","1538.6","0.5","122","2","122","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 S8 -","- C34 H30 S8 -","- C68 H60 S16 -","2","0.5","","Mikkel A. Christensen; Christian R. Parker; Thomas Just Sorensen; Sebastian de Graaf; Thorbjorn J. Morsing; Theis Brock-Nannestad; Jesper Bendix; Michael M. Haley; Peter Rapta; Andrey Danilov; Sergey Kubatkin; Ole Hammerich; Mogens Brondsted Nielsen","Mixed valence radical cations and intermolecular complexes derived from indenofluorene-extended tetrathiafulvalenes","Journal of Materials Chemistry C","2014","2","","10428","10438","10.1039/C4TC02178A","","","0.71073","MoKα","","0.0462","0.0317","","","0.0686","0.0743","","","","","","1.0422","","","","has coordinates","218533","2020-10-21","18:00:00",""
"7233951","9.4413","0.0005","13.8707","0.0007","15.4171","0.0007","106.242","0.002","98.995","0.002","107.963","0.002","1777.67","0.16","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 F6 S8 Ta -","- C34 H30 F6 S8 Ta -","- C68 H60 F12 S16 Ta2 -","2","1","","Mikkel A. Christensen; Christian R. Parker; Thomas Just Sorensen; Sebastian de Graaf; Thorbjorn J. Morsing; Theis Brock-Nannestad; Jesper Bendix; Michael M. Haley; Peter Rapta; Andrey Danilov; Sergey Kubatkin; Ole Hammerich; Mogens Brondsted Nielsen","Mixed valence radical cations and intermolecular complexes derived from indenofluorene-extended tetrathiafulvalenes","Journal of Materials Chemistry C","2014","2","","10428","10438","10.1039/C4TC02178A","","","0.71073","MoKα","","0.0673","0.0482","","","0.1098","0.1187","","","","","","1.0349","","","","has coordinates","218534","2020-10-21","18:00:00",""
"7233952","5.21365","0.00013","12.5465","0.0003","16.7656","0.0004","110.319","0.0014","92.1751","0.0015","106.122","0.0014","976.95","0.04","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 N2 O2 S4 -","- C44 H46 N2 O2 S4 -","- C44 H46 N2 O2 S4 -","1","0.5","","Takefumi Odajima; Minoru Ashizawa; Yuichi Konosu; Hidetoshi Matsumoto; Takehiko Mori","The impact of molecular planarity on electronic devices in thienoisoindigo-based organic semiconductors","Journal of Materials Chemistry C","2014","2","","10455","10467","10.1039/C4TC02170C","","","1.54187","CuKα","","","0.1344","","","","0.403","","","","","","2.539","","","","has coordinates","218535","2020-10-21","18:00:00",""
"7233953","5.1386","0.0004","11.8573","0.0009","16.4469","0.0012","105.425","0.005","90.708","0.004","98.541","0.004","953.88","0.13","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 N2 O4 S2 -","- C44 H46 N2 O4 S2 -","- C44 H46 N2 O4 S2 -","1","0.5","","Takefumi Odajima; Minoru Ashizawa; Yuichi Konosu; Hidetoshi Matsumoto; Takehiko Mori","The impact of molecular planarity on electronic devices in thienoisoindigo-based organic semiconductors","Journal of Materials Chemistry C","2014","2","","10455","10467","10.1039/C4TC02170C","","","1.54187","CuKα","","","0.1274","","","","0.4022","","","","","","1.098","","","","has coordinates","218536","2020-10-21","18:00:00",""
"7235284","9.8296","0.0015","10.2016","0.0016","12.6394","0.0019","78.083","0.002","70.581","0.002","70.89","0.002","1122.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 Br N2 O3 -","- C26 H23 Br N2 O3 -","- C52 H46 Br2 N4 O6 -","2","1","","Sun, Cheng-Jun; Chen, Wen; Li, Yan; Liu, Lan-Xiang; Wang, Xue-Quan; Li, Li-Juan; Zhang, Hong-Bin; Yang, Xiao-Dong","Design, synthesis and antitumor activity of novel 8-substituted 2,3,5,6-tetrahydrobenzo[1,2-b:4,5-b′]difuran imidazolium salt derivatives","RSC Adv.","2014","4","31","16312","","10.1039/C3RA43183E","","","0.71073","MoKα","","0.1095","0.0596","","","0.1702","0.2265","","","","","","0.929","","","","has coordinates","232650","2020-10-21","18:00:00",""
"7235289","9.359","0.004","10.657","0.004","19.105","0.007","90","","90","","90","","1905.5","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N5 O4 -","- C17 H27 N5 O4 -","- C68 H108 N20 O16 -","4","1","","Agrawal, Sumit K.; Panini, Piyush; Sathe, Manisha; Chopra, Deepak; Kaushik, M. P.","Design and synthesis of cyclic depsipeptides containing triazole (CDPT) rings","RSC Advances","2014","4","21","10728","","10.1039/c3ra45100c","","","0.71073","MoKα","","0.1384","0.0719","","","0.1407","0.1679","","","","","","0.906","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7235290","10.045","0.002","25.202","0.005","11.186","0.002","90","","114.18","0.03","90","","2583.3","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Cl Co N4 O6 -","- C24 H34 Cl Co N4 O6 -","- C96 H136 Cl4 Co4 N16 O24 -","4","1","","Nasr-Esfahani, Mojtaba; Zendehdel, Mahmoud; Yaghoobi Nia, Narges; Jafari, Behroz; Khosravi Babadi, Mohsen","Fabrication and characterization of a new dye sensitized solar cell with a new Schiff base cobalt complex as a redox mediator","RSC Advances","2014","4","31","15961","","10.1039/C3RA46531D","","","0.71073","MoKα","","0.1449","0.0658","","","0.1084","0.1284","","","","","","0.956","","","","has coordinates","232662","2020-10-21","18:00:00",""
"7235291","10.115","0.002","8.791","0.0018","15.671","0.003","90","","103.74","0.03","90","","1353.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H37 N O7 -","- C29 H37 N O7 -","- C58 H74 N2 O14 -","2","1","","Liu, Zhuyun; Law, Wai-Kit; Wang, Decai; Nie, Xin; Sheng, Dekuan; Song, Genrui; Guo, Kai; Wei, Ping; Ouyang, Pingkai; Wong, Chi-Wai; Zhou, Guo-Chun","Synthesis and discovery of andrographolide derivatives as non-steroidal farnesoid X receptor (FXR) antagonists","RSC Adv.","2014","4","26","13533","","10.1039/C3RA46715E","","","0.71073","MoKα","","0.133","0.0686","","","0.1442","0.1788","","","","","","1.017","","","","has coordinates","232664","2020-10-21","18:00:00",""
"7235292","10.997","0.005","11.276","0.005","14.078","0.005","108.664","0.005","95.444","0.005","103.641","0.005","1579.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 N6 O4 S -","- C36 H29 N3 O7 S -","- C72 H58 N6 O14 S2 -","2","1","","Bakthadoss, Manickam; Kannan, Damodharan","A novel synthesis of tetra and pentacyclic quinolinopyran tethered pyrazole/coumarin scaffolds via a solid state melt reaction","RSC Advances","2014","4","23","11723","","10.1039/c3ra46894a","","","0.71073","MoKα","","0.0791","0.0533","","","0.1501","0.1861","","","","","","0.817","","","","has coordinates","232666","2020-10-21","18:00:00",""
"7235293","9.6865","0.0002","9.0575","0.0003","38.51","0.001","90","","92.175","0.002","90","","3376.26","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 N4 O3 S -","- C40 H32 N4 O3 S -","- C160 H128 N16 O12 S4 -","4","1","","Bakthadoss, Manickam; Kannan, Damodharan","A novel synthesis of tetra and pentacyclic quinolinopyran tethered pyrazole/coumarin scaffolds via a solid state melt reaction","RSC Advances","2014","4","23","11723","","10.1039/c3ra46894a","","","0.71073","MoKα","","0.0737","0.0505","","","0.1177","0.1301","","","","","","1.042","","","","has coordinates","232666","2020-10-21","18:00:00",""
"7235294","28.633","0.003","9.3215","0.0007","24.59","0.002","90","","115.976","0.003","90","","5900.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Br N O7 S -","- C34 H26 Br N O7 S -","- C272 H208 Br8 N8 O56 S8 -","8","1","","Bakthadoss, Manickam; Kannan, Damodharan","A novel synthesis of tetra and pentacyclic quinolinopyran tethered pyrazole/coumarin scaffolds via a solid state melt reaction","RSC Advances","2014","4","23","11723","","10.1039/c3ra46894a","","","0.71073","MoKα","","0.0849","0.0502","","","0.1432","0.1746","","","","","","1.056","","","","has coordinates,has disorder","232667","2020-10-21","18:00:00",""
"7235295","8.5775","0.0004","24.9943","0.0013","13.7319","0.0007","90","","103.558","0.002","90","","2861.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N2 O6 S -","- C34 H26 N2 O6 S -","- C136 H104 N8 O24 S4 -","4","1","","Bakthadoss, Manickam; Kannan, Damodharan","A novel synthesis of tetra and pentacyclic quinolinopyran tethered pyrazole/coumarin scaffolds via a solid state melt reaction","RSC Advances","2014","4","23","11723","","10.1039/c3ra46894a","","","0.71073","MoKα","","0.0677","0.041","","","0.0952","0.1208","","","","","","1.035","","","","has coordinates","232667","2020-10-21","18:00:00",""
"7235296","5.27","0.0008","7.28","0.0011","18.461","0.003","92.723","0.002","96.98","0.003","110.788","0.003","654.11","0.18","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N4 S4 -","- C28 H26 N4 S4 -","- C28 H26 N4 S4 -","1","0.5","","Wu, Qinghe; Qiao, Xiaolan; Huang, Qiuliu; Li, Jie; Xiong, Yu; Gao, Xike; Li, Hongxiang","High-performance n-channel field effect transistors based on solution-processed dicyanomethylene-substituted tetrathienoquinoid","RSC Adv.","2014","4","33","16939","","10.1039/C3RA47095D","","","0.71073","MoKα","","0.0381","0.0298","","","0.0746","0.0797","","","","","","1.035","","","","has coordinates","232669","2020-10-21","18:00:00",""
"7235297","10.109","0.003","20.659","0.005","14.446","0.004","90","","90.842","0.006","90","","3016.6","1.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H34 Cl N2 O6 P -","- C30 H34 Cl N2 O6 P -","- C120 H136 Cl4 N8 O24 P4 -","4","2","","Xie, Xiaohua; Jing, Linhai; Qin, Dabin; He, Wujun; Wu, Song; Jin, Lunqiang; Luo, Gan","Regioselective asymmetric stereoablative O-alkylation of α-nitrophosphonates via o-azaxylylene intermediates generated in situ from 3-bromooxindoles","RSC Advances","2014","4","23","11605","","10.1039/c3ra47100d","","","0.71073","MoKα","","0.1227","0.0635","","","0.1297","0.1503","","","","","","1.05","","","","has coordinates","232670","2020-10-21","18:00:00",""
"7235298","10.6768","0.0004","12.6832","0.0004","19.677","0.0009","84.345","0.003","75.994","0.003","76.864","0.003","2515.04","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H84 Ag6 N20 O21 S4 -","- C98 H84 Ag6 N20 O21 S4 -","- C98 H84 Ag6 N20 O21 S4 -","1","0.5","","Ma, Ai-Qing; Zhu, Long-Guan","Diverse silver(i) sulfobenzoate coordination polymers and their recycling property as homogeneous catalyst in oxygenation of sulfide","RSC Adv.","2014","4","28","14691","","10.1039/C3RA47136E","","","0.71073","MoKα","","0.0585","0.0408","","","0.0933","0.1034","","","","","","1.021","","","","has coordinates,has disorder","232673","2020-10-21","18:00:00",""
"7235299","10.4087","0.0004","11.5583","0.0005","12.1619","0.0006","88.778","0.004","72.109","0.004","80.521","0.004","1372.73","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Ag N6 O5 S -","- C28 H26 Ag N6 O5 S -","- C56 H52 Ag2 N12 O10 S2 -","2","1","","Ma, Ai-Qing; Zhu, Long-Guan","Diverse silver(i) sulfobenzoate coordination polymers and their recycling property as homogeneous catalyst in oxygenation of sulfide","RSC Adv.","2014","4","28","14691","","10.1039/C3RA47136E","","","0.71073","MoKα","","0.0398","0.0317","","","0.076","0.0817","","","","","","1","","","","has coordinates","232673","2020-10-21","18:00:00",""
"7235300","10.6331","0.0003","11.3717","0.0003","18.0884","0.0005","98.097","0.001","98.286","0.001","113.971","0.001","1928.99","0.09","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Ag2 N8 O9 S -","- C35 H40 Ag2 N8 O9 S -","- C70 H80 Ag4 N16 O18 S2 -","2","1","","Ma, Ai-Qing; Zhu, Long-Guan","Diverse silver(i) sulfobenzoate coordination polymers and their recycling property as homogeneous catalyst in oxygenation of sulfide","RSC Adv.","2014","4","28","14691","","10.1039/C3RA47136E","","","0.71073","MoKα","","0.0438","0.038","","","0.1071","0.1166","","","","","","1.064","","","","has coordinates","232673","2020-10-21","18:00:00",""
"7235301","8.228","0.0004","10.4465","0.0005","13.3444","0.0007","92.427","0.001","90.631","0.001","94.105","0.001","1142.92","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 Ag N4 O7 S -","- C21 H23 Ag N4 O7 S -","- C42 H46 Ag2 N8 O14 S2 -","2","1","","Ma, Ai-Qing; Zhu, Long-Guan","Diverse silver(i) sulfobenzoate coordination polymers and their recycling property as homogeneous catalyst in oxygenation of sulfide","RSC Adv.","2014","4","28","14691","","10.1039/C3RA47136E","","","0.71073","MoKα","","0.0417","0.0322","","","0.0945","0.118","","","","","","1.088","","","","has coordinates","232673","2020-10-21","18:00:00",""
"7235302","13.846","0.002","9.356","0.0019","10.23","0.0015","90","","101.896","0.011","90","","1296.8","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O -","- C17 H12 O -","- C68 H48 O4 -","4","1","","Nasr-Esfahani, Mahboobeh; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad Reza; Moghadam, Majid; Mirkhani, Valiollah; Tangestaninejad, Shahram; Agabekov, Vladislav; Rudbari, Hadi Amiri","Copper immobilized on nano-silica triazine dendrimer (Cu(ii)-TD@nSiO2) catalyzed synthesis of symmetrical and unsymmetrical 1,3-diynes under aerobic conditions at ambient temperature","RSC Adv.","2014","4","27","14291","","10.1039/C3RA47184E","","","0.71073","MoKα","","0.1991","0.052","","","0.0806","0.1092","","","","","","0.924","","","","has coordinates","232675","2020-10-21","18:00:00",""
"7235303","8.8634","0.0004","10.7499","0.0005","11.811","0.0006","96.088","0.003","98.252","0.003","97.358","0.003","1095.62","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N O -","- C28 H27 N O -","- C56 H54 N2 O2 -","2","1","","Borah, Ruli; Dutta, Arup Kumar; Sarma, Parishmita; Dutta, Champak; Sarma, Bipul","Synthesis of anti-2,3-dihydro-1,2,3-trisubstituted-1H-naphth [1,2-e][1,3]oxazine derivatives via multicomponent approach","RSC Advances","2014","4","21","10912","","10.1039/c3ra47211f","","","0.71073","MoKα","","0.0746","0.0478","","","0.1377","0.1713","","","","","","1.064","","","","has coordinates","232677","2020-10-21","18:00:00",""
"7235304","8.5795","0.0002","15.1441","0.0004","20.1757","0.0005","86.416","0.002","85.757","0.002","80.379","0.002","2574.1","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H29 N O -","- C33 H29 N O -","- C132 H116 N4 O4 -","4","2","","Borah, Ruli; Dutta, Arup Kumar; Sarma, Parishmita; Dutta, Champak; Sarma, Bipul","Synthesis of anti-2,3-dihydro-1,2,3-trisubstituted-1H-naphth [1,2-e][1,3]oxazine derivatives via multicomponent approach","RSC Advances","2014","4","21","10912","","10.1039/c3ra47211f","","","0.71073","MoKα","","0.1951","0.0758","","","0.2109","0.307","","","","","","0.964","","","","has coordinates","232677","2020-10-21","18:00:00",""
"7235305","4.8667","0.0003","7.7561","0.0004","18.3813","0.0012","90","","90.214","0.004","90","","693.83","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C36 H28 N4 O8 -","2","0.5","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.0732","0.0472","","","0.113","0.1257","","","","","","1.053","","","","has coordinates","232680","2020-10-21","18:00:00",""
"7235306","8.953","0.003","13.508","0.006","27.663","0.011","90","","90","","90","","3345","2","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C36 H34 N2 O10 S2 -","- C36 H34 N2 O10 S2 -","- C144 H136 N8 O40 S8 -","4","0.5","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.105","0.085","","","0.2097","0.2233","","","","","","1.058","","","","has coordinates","232680","2020-10-21","18:00:00",""
"7235307","9.104","0.007","13.55","0.01","28.2","0.02","90","","90","","90","","3479","4","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C36 H34 N2 O10 S2 -","- C36 H34 N2 O10 S2 -","- C144 H136 N8 O40 S8 -","4","0.5","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.1527","0.0774","","","0.1685","0.205","","","","","","1.022","","","","has coordinates","232680","2020-10-21","18:00:00",""
"7235308","8.67","0.002","19.624","0.005","25.099","0.007","90","","90","","90","","4270.3","1.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 N4 O13 S3 -","- C42 H42 N4 O13.15 S3 -","- C168 H168 N16 O52.6 S12 -","4","1","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.1382","0.0707","","","0.1376","0.1685","","","","","","0.979","","","","has coordinates","232680","2020-10-21","18:00:00",""
"7235309","24.2349","0.0005","7.0289","0.0001","14.7664","0.0003","90","","90.826","0.001","90","","2515.12","0.08","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H26 N2 O10 S2 -","- C24 H26 N2 O10 S2 -","- C96 H104 N8 O40 S8 -","4","1","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.0429","0.0374","","","0.0826","0.0887","","","","","","1.086","","","","has coordinates,has disorder","232680","2020-10-21","18:00:00",""
"7235310","24.302","0.002","7.0441","0.0006","14.8026","0.0011","90","","90.782","0.005","90","","2533.8","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H26 N2 O10 S2 -","- C24 H26 N2 O10 S2 -","- C96 H104 N8 O40 S8 -","4","1","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.0558","0.0422","","","0.09","0.0966","","","","","","1.034","","","","has coordinates,has disorder","232680","2020-10-21","18:00:00",""
"7235311","7.0006","0.0003","7.8988","0.0004","14.9207","0.0007","92.055","0.003","102.842","0.003","97.201","0.003","796.34","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C30 H38 N2 O12 S2 -","2","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.1089","0.0638","","","0.1459","0.1713","","","","","","0.965","","","","has coordinates","232684","2020-10-21","18:00:00",""
"7235312","7.0252","0.0015","8.1514","0.0016","14.875","0.003","97.853","0.011","103.477","0.008","100.941","0.008","798.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C30 H38 N2 O12 S2 -","2","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.2373","0.1915","","","0.4683","0.4949","","","","","","1.093","","","","has coordinates,has disorder","232684","2020-10-21","18:00:00",""
"7235313","8.244","0.0003","7.4617","0.0003","27.2752","0.0011","90","","96.372","0.002","90","","1667.45","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N O6 S2 -","- C14 H17 N O6 S2 -","- C56 H68 N4 O24 S8 -","4","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.0696","0.0511","","","0.1289","0.1398","","","","","","1.034","","","","has coordinates","232684","2020-10-21","18:00:00",""
"7235314","8.0832","0.0002","7.1669","0.0002","27.7096","0.0006","90","","96.214","0.001","90","","1595.83","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N O6 S2 -","- C14 H17 N O6 S2 -","- C56 H68 N4 O24 S8 -","4","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.0714","0.0553","","","0.1315","0.1402","","","","","","1.117","","","","has coordinates,has disorder","232684","2020-10-21","18:00:00",""
"7235315","6.9045","0.0002","7.9441","0.0002","15.2565","0.0004","82.911","0.001","77.052","0.001","81.884","0.001","803.71","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","1","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.0382","0.0379","","","0.1035","0.1037","","","","","","1.073","","","","has coordinates","232684","2020-10-21","18:00:00",""
"7235316","6.8872","0.0003","7.9769","0.0004","15.0753","0.0007","93.167","0.003","102.378","0.003","98.319","0.003","797.26","0.07","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","1","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.089","0.084","","","0.2339","0.2389","","","","","","1.122","","","","has coordinates,has disorder","232684","2020-10-21","18:00:00",""
"7235317","6.9689","0.0005","8.0453","0.0005","14.9788","0.001","93.118","0.003","101.808","0.003","98.412","0.003","810.11","0.09","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","1","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.1501","0.1133","","","0.2823","0.3106","","","","","","1.064","","","","has coordinates,has disorder","232684","2020-10-21","18:00:00",""
"7235318","6.8789","0.0006","8.1405","0.0007","14.5005","0.0013","92.437","0.005","98.844","0.005","99.96","0.005","788.25","0.12","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","- C29 H36 N2 O12 S3 -","1","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.0857","0.0747","","","0.1964","0.2113","","","","","","1.07","","","","has coordinates","232684","2020-10-21","18:00:00",""
"7235319","7.7603","0.0001","6.9346","0.0001","15.1225","0.0001","90","","93.392","0.001","90","","812.385","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C30 H38 N2 O12 S2 -","2","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.0249","0.0245","","","0.0637","0.0641","","","","","","1.054","","","","has coordinates","232684","2020-10-21","18:00:00",""
"7235320","7.8661","0.0004","7.17","0.0004","14.9612","0.0008","90","","91.665","0.004","90","","843.45","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15.42 H18.58 N O6 S -","- C15.422 H18.578 N O6 S -","- C30.844 H37.156 N2 O12 S2 -","2","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","0.71073","MoKα","","0.1746","0.0728","","","0.1787","0.2291","","","","","","1.008","","","","has coordinates,has disorder","232684","2020-10-21","18:00:00",""
"7235321","5.0738","0.0001","8.143","0.0002","18.6485","0.0004","91.867","0.001","93.641","0.001","97.715","0.002","761.31","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 Cl2 N O6 S -","- C12 H13 Cl2 N O6 S -","- C24 H26 Cl4 N2 O12 S2 -","2","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.0804","0.0619","","","0.1825","0.1989","","","","","","1.062","","","","has coordinates","232684","2020-10-21","18:00:00",""
"7235322","5.1963","0.0001","29.5944","0.0006","9.2515","0.0002","90","","99.075","0.001","90","","1404.9","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O6 S -","- C11 H11 N O6 S -","- C44 H44 N4 O24 S4 -","4","1","","Lu, Yuhua; Bolokowicz, Andrew. J.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Chiral transmission to crystal photodimerizations of leucine‒methionine quasiracemic assemblies","RSC Advances","2014","4","16","8125","","10.1039/c3ra47270a","","","1.54178","CuKα","","0.049","0.0446","","","0.1098","0.1123","","","","","","1.073","","","","has coordinates,has disorder","232684","2020-10-21","18:00:00",""
"7235323","6.285","0.0004","19.165","0.0013","10.0101","0.0007","90","","90","","90","","1205.74","0.14","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H12 Br N O4 -","- C12 H12 Br N O4 -","- C48 H48 Br4 N4 O16 -","4","1","","Naumova, A. S.; Mikhaylov, A. A.; Khomutova, Yu. A.; Novikov, R. A.; Arkhipov, D. E.; Korlyukov, A. A.; Ioffe, S. L.","Three-step assembly of 4-aminotetrahydropyran-2-ones from isoxazoline-2-oxides","RSC Advances","2014","4","24","12467","","10.1039/c3ra47309k","","","0.71073","MoKα","","0.0325","0.0282","","","0.0638","0.0659","","","","","","1.052","","","","has coordinates","232687","2020-10-21","18:00:00",""
"7235324","12.3354","0.0006","14.4555","0.0007","6.7455","0.0003","90","","90","","90","","1202.82","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H12 Br N O4 -","- C12 H12 Br N O4 -","- C48 H48 Br4 N4 O16 -","4","1","","Naumova, A. S.; Mikhaylov, A. A.; Khomutova, Yu. A.; Novikov, R. A.; Arkhipov, D. E.; Korlyukov, A. A.; Ioffe, S. L.","Three-step assembly of 4-aminotetrahydropyran-2-ones from isoxazoline-2-oxides","RSC Advances","2014","4","24","12467","","10.1039/c3ra47309k","","","0.71073","MoKα","","0.0284","0.0222","","","0.0476","0.0492","","","","","","1.006","","","","has coordinates","232687","2020-10-21","18:00:00",""
"7235325","9.1284","0.0006","8.5176","0.0006","20.2454","0.0014","90","","97.403","0.005","90","","1561","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CYH-3a0","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Chen, Jianyang; Liu, Bo; Chen, Yanhong; He, Qian; Yang, Chunhao","Copper(ii)-catalyzed cascade approach for the synthesis of pyrrolo[2,1-f][1,2,4]triazine-fused isoquinolines","RSC Advances","2014","4","22","11168","","10.1039/c3ra47324d","","","0.71073","MoKα","","0.1119","0.0693","","","0.1689","0.2043","","","","","","1.018","","","","has coordinates","232689","2020-10-21","18:00:00",""
"7235326","9.949","0.004","8.617","0.002","16.845","0.013","90","","94.09","0.04","90","","1440.5","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Kumari, Kumkum; Allam, Bharat Kumar; Singh, Krishna Nand","A simple and sustainable tetrabutylammonium fluoride (TBAF)-catalyzed synthesis of azaarene-substituted 3-hydroxy-2-oxindoles through sp3 C‒H functionalization","RSC Adv.","2014","4","38","19789","","10.1039/C3RA47332E","","","0.71073","MoKα","","0.1324","0.0796","","","0.2242","0.2933","","","","","","1.045","","","","has coordinates","232691","2020-10-21","18:00:00",""
"7235327","5.9087","0.0014","7.3564","0.0017","27.796","0.007","90","","93.569","0.005","90","","1205.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C60 H40 N8 O12 -","4","1","","Dinda, Milan; Samanta, Supravat; Eringathodi, Suresh; Ghosh, Pushpito K.","Solar photo-thermochemical syntheses of 4-bromo-2,5-substituted oxazoles from N-arylethylamides","RSC Advances","2014","4","24","12252","","10.1039/c3ra47603k","","","0.71073","MoKα","","0.115","0.0665","","","0.126","0.1456","","","","","","1.078","","","","has coordinates","232693","2020-10-21","18:00:00",""
"7235328","7.538","0.004","8.691","0.005","11.877","0.007","80.826","0.009","83.217","0.009","73.581","0.008","734.6","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H8 Br Cl F3 N O -","- C16 H8 Br Cl F3 N O -","- C32 H16 Br2 Cl2 F6 N2 O2 -","2","1","","Dinda, Milan; Samanta, Supravat; Eringathodi, Suresh; Ghosh, Pushpito K.","Solar photo-thermochemical syntheses of 4-bromo-2,5-substituted oxazoles from N-arylethylamides","RSC Advances","2014","4","24","12252","","10.1039/c3ra47603k","","","0.71073","MoKα","","0.0452","0.043","","","0.1313","0.1363","","","","","","1.126","","","","has coordinates","232693","2020-10-21","18:00:00",""
"7235329","9.9571","0.0005","22.3032","0.0012","13.062","0.0007","90","","109.781","0.001","90","","2729.6","0.2","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H43 N O3 -","- C30 H43 N O3 -","- C120 H172 N4 O12 -","4","1","","Abakumov, Gleb A.; Druzhkov, Nikolay O.; Egorova, Elena N.; Kocherova, Tatiana N.; Shavyrin, Andrey S.; Cherkasov, Anton V.","Intramolecular cyclization‒decyclization of new sterically hindered diiminophenol. Synthesis and coordination abilities","RSC Adv.","2014","4","28","14495","","10.1039/C3RA47669C","","","0.71073","MoKα","","0.0655","0.0502","","","0.1251","0.1346","","","","","","1.036","","","","has coordinates","232695","2020-10-21","18:00:00",""
"7235330","19.3052","0.0006","11.9215","0.0004","19.4653","0.0007","90","","119.466","0.001","90","","3900.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 Cd I2 N2 O2 -","- C34 H54 Cd I2 N2 O2 -","- C136 H216 Cd4 I8 N8 O8 -","4","1","","Abakumov, Gleb A.; Druzhkov, Nikolay O.; Egorova, Elena N.; Kocherova, Tatiana N.; Shavyrin, Andrey S.; Cherkasov, Anton V.","Intramolecular cyclization‒decyclization of new sterically hindered diiminophenol. Synthesis and coordination abilities","RSC Adv.","2014","4","28","14495","","10.1039/C3RA47669C","","","0.71073","MoKα","","0.0276","0.0229","","","0.055","0.0566","","","","","","1.026","","","","has coordinates","232695","2020-10-21","18:00:00",""
"7235331","12.7219","0.0002","17.4042","0.0004","17.4215","0.0004","72.4734","0.0019","78.2835","0.0017","73.561","0.0017","3498.53","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68.2 H107.5 Cd2 N4 O3.55 -","- C68.2 H107.5 Cd2 N4 O3.55 -","- C136.4 H215 Cd4 N8 O7.1 -","2","1","","Abakumov, Gleb A.; Druzhkov, Nikolay O.; Egorova, Elena N.; Kocherova, Tatiana N.; Shavyrin, Andrey S.; Cherkasov, Anton V.","Intramolecular cyclization‒decyclization of new sterically hindered diiminophenol. Synthesis and coordination abilities","RSC Adv.","2014","4","28","14495","","10.1039/C3RA47669C","","","0.71073","MoKα","","0.089","0.0748","","","0.1856","0.1943","","","","","","1.053","","","","has coordinates,has disorder","232695","2020-10-21","18:00:00",""
"7235332","15.0475","0.0003","26.8007","0.0004","16.0102","0.0003","90","","109.913","0.002","90","","6070.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H96 Cd N4 O3 -","- C64 H96 Cd N4 O3 -","- C256 H384 Cd4 N16 O12 -","4","1","","Abakumov, Gleb A.; Druzhkov, Nikolay O.; Egorova, Elena N.; Kocherova, Tatiana N.; Shavyrin, Andrey S.; Cherkasov, Anton V.","Intramolecular cyclization‒decyclization of new sterically hindered diiminophenol. Synthesis and coordination abilities","RSC Adv.","2014","4","28","14495","","10.1039/C3RA47669C","","","0.71073","MoKα","","0.0509","0.0392","","","0.0969","0.102","","","","","","1.033","","","","has coordinates,has disorder","232695","2020-10-21","18:00:00",""
"7235333","8.9199","0.0004","18.9724","0.0008","17.1673","0.0011","90","","100.522","0.005","90","","2856.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H61 Cl4 N O2 P2 -","- C64 H61 Cl4 N O2 P2 -","- C128 H122 Cl8 N2 O4 P4 -","2","0.5","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Komarov, Igor V.","Conformationally restricted glutamic acid analogues: stereoisomers of 1-aminospiro[3.3]heptane-1,6-dicarboxylic acid","RSC Advances","2014","4","21","10894","","10.1039/c3ra47725h","","","0.71073","MoKα","","0.1113","0.0975","","","0.2709","0.2852","","","","","","1.227","","","","has coordinates","232697","2020-10-21","18:00:00",""
"7235334","6.094","0.0005","15.4178","0.0015","17.637","0.002","90","","90","","90","","1657.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Komarov, Igor V.","Conformationally restricted glutamic acid analogues: stereoisomers of 1-aminospiro[3.3]heptane-1,6-dicarboxylic acid","RSC Advances","2014","4","21","10894","","10.1039/c3ra47725h","","","0.71073","MoKα","","0.2135","0.0484","","","0.0471","0.0637","","","","","","0.793","","","","has coordinates","232697","2020-10-21","18:00:00",""
"7235335","6.1255","0.0006","11.218","0.0011","24.188","0.002","90","","90","","90","","1662.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Komarov, Igor V.","Conformationally restricted glutamic acid analogues: stereoisomers of 1-aminospiro[3.3]heptane-1,6-dicarboxylic acid","RSC Advances","2014","4","21","10894","","10.1039/c3ra47725h","","","0.71073","MoKα","","0.1945","0.0546","","","0.0657","0.0842","","","","","","0.84","","","","has coordinates","232697","2020-10-21","18:00:00",""
"7235336","10.26","0.003","5.82","0.002","14.06","0.004","90","","98.37","0.03","90","","830.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Komarov, Igor V.","Conformationally restricted glutamic acid analogues: stereoisomers of 1-aminospiro[3.3]heptane-1,6-dicarboxylic acid","RSC Advances","2014","4","21","10894","","10.1039/c3ra47725h","","","0.71073","MoKα","","0.3881","0.0664","","","0.0943","0.159","","","","","","0.696","","","","has coordinates","232697","2020-10-21","18:00:00",""
"7235337","9.279","0.0017","17.285","0.003","13.653","0.002","90","","106.45","0.003","90","","2100.1","0.6","188","2","188","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C96 H104 N8 O12 -","4","1","","Yu, Tianzhi; Shi, Yanlong; Chai, Haifang; Niu, Lixia; Liu, Peng; Zhao, Yuling; Kang, Jundan; Gao, Bin; Zhang, Hui","Synthesis, characterization, and photo- and electro-luminescence of Ir(iii) complexes containing carrier transporting group-substituted β-diketonate ligand","RSC Advances","2014","4","23","11680","","10.1039/c3ra47746k","","","0.71073","MoKα","","0.187","0.0981","","","0.2287","0.2775","","","","","","1.034","","","","has coordinates,has disorder","232700","2020-10-21","18:00:00",""
"7235338","10.6924","0.0014","13.0351","0.0017","14.5733","0.0019","100.978","0.002","90.8674","0.0019","108.058","0.002","1889.8","0.4","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C56 H0 -","- C56 H36 -","- C112 H72 -","2","1","","Wang, Hua; Liang, Yan; Wang, Yike; Xie, Huanling; Feng, Linglong; Lu, Haifeng; Feng, Shengyu","The strategy to improve thermal and optical properties of diphenylfluoranthene based on silicon-cored derivatives","RSC Advances","2014","4","33","17171","","10.1039/c3ra47751g","","","0.71073","MoKα","","0.0585","0.0411","","","0.1015","0.113","","","","","","1.027","","","","has coordinates","232702","2020-10-21","18:00:00",""
"7235339","14.38","0.005","24.74","0.009","11.665","0.005","90","","98.271","0.007","90","","4107","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H N O Si -","- C6.27027 H4.32432 Si0.108108 -","- C232 H160 Si4 -","37","9.25","","Wang, Hua; Liang, Yan; Wang, Yike; Xie, Huanling; Feng, Linglong; Lu, Haifeng; Feng, Shengyu","The strategy to improve thermal and optical properties of diphenylfluoranthene based on silicon-cored derivatives","RSC Advances","2014","4","33","17171","","10.1039/c3ra47751g","","","0.71073","MoKα","","0.1574","0.0664","","","0.161","0.2085","","","","","","0.95","","","","has coordinates","232702","2020-10-21","18:00:00",""
"7235340","19.087","0.003","11.7074","0.0016","26.646","0.003","90","","124.459","0.007","90","","4909.5","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H0 Cl Si -","- C64 H44 Cl2 Si -","- C256 H176 Cl8 Si4 -","4","1","","Wang, Hua; Liang, Yan; Wang, Yike; Xie, Huanling; Feng, Linglong; Lu, Haifeng; Feng, Shengyu","The strategy to improve thermal and optical properties of diphenylfluoranthene based on silicon-cored derivatives","RSC Advances","2014","4","33","17171","","10.1039/c3ra47751g","","","0.71073","MoKα","","0.1655","0.0732","","","0.1985","0.2593","","","","","","0.959","","","","has coordinates","232702","2020-10-21","18:00:00",""
"7235341","10.7328","0.0018","14.526","0.002","16.453","0.003","89.774","0.003","76.306","0.003","79.437","0.002","2447.9","0.7","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C H Si -","- C2.47273 H1.6 Si0.0363636 -","- C136 H88 Si2 -","55","27.5","","Wang, Hua; Liang, Yan; Wang, Yike; Xie, Huanling; Feng, Linglong; Lu, Haifeng; Feng, Shengyu","The strategy to improve thermal and optical properties of diphenylfluoranthene based on silicon-cored derivatives","RSC Advances","2014","4","33","17171","","10.1039/c3ra47751g","","","0.71073","MoKα","","0.0936","0.0531","","","0.1442","0.1752","","","","","","1.007","","","","has coordinates","232702","2020-10-21","18:00:00",""
"7235342","9.4209","0.0006","18.641","0.0012","9.7949","0.0006","90","","112.634","0.001","90","","1587.65","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Li, Bao-Le; Hu, Hai-Chuan; Mo, Li-Ping; Zhang, Zhan-Hui","Nano CoFe2O4 supported antimony(iii) as an efficient and recyclable catalyst for one-pot three-component synthesis of multisubstituted pyrroles","RSC Adv.","2014","4","25","12929","","10.1039/C3RA47855F","","","0.71073","MoKα","","0.0473","0.0414","","","0.116","0.1215","","","","","","1.03","","","","has coordinates","232704","2020-10-21","18:00:00",""
"7235343","14.0976","0.0012","10.017","0.0007","14.9301","0.0013","90","","116.746","0.011","90","","1882.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl2 N2 -","- C22 H18 Cl2 N2 -","- C88 H72 Cl8 N8 -","4","1","","Jamatia, Ramen; Saha, Mithu; Pal, Amarta Kumar","An efficient facile and one-pot synthesis of benzodiazepines and chemoselective 1,2-disubstituted benzimidazoles using a magnetically retrievable Fe3O4 nanocatalyst under solvent free conditions","RSC Adv.","2014","4","25","12826","","10.1039/C3RA47860B","","","0.71073","MoKα","","0.0979","0.0548","","","0.1174","0.1375","","","","","","1.018","","","","has coordinates","232705","2020-10-21","18:00:00",""
"7235344","21.243","0.005","5.558","0.005","13.288","0.005","90","0.005","107.615","0.005","90","0.005","1495.3","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-fluoro-1-(((4-methoxyphenyl)thio)methyl)indoline-2,3-dione","","- C16 H12 F N O3 S -","- C16 H12 F N O3 S -","- C64 H48 F4 N4 O12 S4 -","4","1","","Mudududdla, Ramesh; Sharma, Rohit; Guru, Santosh K.; Kushwaha, Manoj; Gupta, Ajai P.; Bharate, Sonali S.; Aravinda, Subrayashastry; Kant, Rajni; Bhushan, Shashi; Vishwakarma, Ram A.; Bharate, Sandip B.","Trifluoroacetic acid catalyzed thiophenylmethylation and thioalkylmethylation of lactams and phenols via domino three-component reaction in water","RSC Adv.","2014","4","27","14081","","10.1039/C3RA47874B","","","0.71073","MoKα","","0.1318","0.0518","","","0.0584","0.078","","","","","","0.92","","","","has coordinates","232707","2020-10-21","18:00:00",""
"7235345","13.716","0.005","8.084","0.005","15.868","0.005","90","0.005","100.602","0.005","90","0.005","1729.4","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Chen, Qi-yu; Kong, Lin; Tian, Yu-peng; Xu, Xian-yun; Yang, Long-Mei; Zhang, Gao-bin; Jia, Wen-bin; Yang, Jia-xiang","The self-aggregation of fluorophore-triphenylamine nanostructures with tunable luminescent properties: the effect of acidity and rare earth ions","RSC Adv.","2014","4","36","18981","","10.1039/C3RA47893A","","","0.71069","MoKα","","0.0549","0.0409","","","0.1329","0.1497","","","","","","1.032","","","","has coordinates","232709","2020-10-21","18:00:00",""
"7235346","9.1945","0.0006","8.2633","0.0005","9.9539","0.0006","90","","107.528","0.002","90","","721.15","0.08","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N4 O2 -","- C16 H16 N4 O2 -","- C32 H32 N8 O4 -","2","0.5","","Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip Kumar","Palladium(ii) induced complete conformational enrichment of the syn isomer of N,N′-bis(4-pyridylformyl)piperazine","RSC Advances","2014","4","36","18595","","10.1039/c3ra47904h","","","0.71073","MoKα","","0.0466","0.0367","","","0.1259","0.1378","","","","","","1.068","","","","has coordinates","232710","2020-10-21","18:00:00",""
"7235347","18.8926","0.0006","17.6085","0.0006","17.0599","0.0006","90","","90","","90","","5675.3","0.3","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C36 H48 Cl4 N12 O23 Pd2 -","- C36 H48 Cl4 N12 O23 Pd2 -","- C144 H192 Cl16 N48 O92 Pd8 -","4","0.5","","Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip Kumar","Palladium(ii) induced complete conformational enrichment of the syn isomer of N,N′-bis(4-pyridylformyl)piperazine","RSC Advances","2014","4","36","18595","","10.1039/c3ra47904h","","","0.71073","MoKα","","0.0465","0.0405","","","0.1244","0.1341","","","","","","1.122","","","","has coordinates","232710","2020-10-21","18:00:00",""
"7235348","9.171","0.001","12.808","0.001","16.593","0.002","90","","98.81","0.01","90","","1926.1","0.4","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(4-(4-phenyl-1H-1,2,3-triazol-1-yl)phnyl)-9H-carbazole","","- C26 H18 N4 -","- C26 H18 N4 -","- C104 H72 N16 -","4","1","","Hörner, Anna; Volz, Daniel; Hagendorn, Tobias; Fürniss, Daniel; Greb, Lutz; Rönicke, Franziska; Nieger, Martin; Schepers, Ute; Bräse, Stefan","Switchable fluorescence by click reaction of a novel azidocarbazole dye","RSC Adv.","2014","4","23","11528","","10.1039/C3RA47964A","","","0.71073","MoKα","","0.086","0.0497","","","0.0987","0.113","","","","","","1.046","","","","has coordinates","232712","2020-10-21","18:00:00",""
"7235349","16.967","0.001","9.805","0.001","22.225","0.002","90","","90","","90","","3697.4","0.5","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1-(4-(9H-carbazol-9-yl)phenyl)-1H-1,2,3-triazol-4-yl)propan-2-ol","","- C23 H20 N4 O -","- C23 H20 N4 O -","- C184 H160 N32 O8 -","8","1","","Hörner, Anna; Volz, Daniel; Hagendorn, Tobias; Fürniss, Daniel; Greb, Lutz; Rönicke, Franziska; Nieger, Martin; Schepers, Ute; Bräse, Stefan","Switchable fluorescence by click reaction of a novel azidocarbazole dye","RSC Adv.","2014","4","23","11528","","10.1039/C3RA47964A","","","0.71073","MoKα","","0.0872","0.0537","","","0.1082","0.1221","","","","","","1.06","","","","has coordinates","232712","2020-10-21","18:00:00",""
"7235350","5.8525","0.0014","7.4196","0.0018","45.092","0.01","90","","90","","90","","1958","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Cl Fe O4 -","- C22 H19 Cl Fe O4 -","- C88 H76 Cl4 Fe4 O16 -","4","1","","Chen, Shufeng; Du, Yan; Zhao, Haiying; Li, Baoguo","Rh2(OAc)4-catalyzed 2,3-migration of β-ferrocenecarboxyl α-diazocarbonyl compounds: an efficient synthesis of ferrocene-containing α,β-unsaturated esters","RSC Advances","2014","4","24","12482","","10.1039/c3ra48071b","","","0.71073","MoKα","","0.0468","0.0422","","","0.0806","0.0813","","","","","","1.935","","","","has coordinates","232713","2020-10-21","18:00:00",""
"7235353","18.6978","0.0011","12.2385","0.00013","13.6407","0.0012","90","","110.702","0.003","90","","2919.9","0.3","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N16 O17 -","- C14 H18 N16 O17 -","- C56 H72 N64 O68 -","4","1","","Tang, Yongxing; Yang, Hongwei; Ju, Xuehai; Huang, Hui; Lu, Chunxu; Cheng, Guangbin","A novel N‒N bond cleavage in 1,5-diaminotetrazole: synthesis and characterization of 5-picrylamino-1,2,3,4-tetrazole (PAT)","Journal of Materials Chemistry A","2014","2","12","4127","","10.1039/c3ta14485b","","","0.71073","MoKα","","0.0692","0.0564","","","0.1416","0.1466","","","","","","1.076","","","","has coordinates","232716","2020-10-21","18:00:00",""
"7235354","10.4369","0.0009","11.2951","0.0007","12.7861","0.00012","101.639","0.007","111.064","0.008","98.473","0.006","1337.21","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 Eu2 N5 O18 -","- C44 H28 Eu2 N5 O18 -","- C44 H28 Eu2 N5 O18 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0645","0.0537","","","0.1471","0.1562","","","","","","0.931","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235355","10.3371","0.0005","11.1671","0.0006","11.8689","0.0009","94.257","0.005","107.004","0.005","108.419","0.005","1221.93","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Eu2 N9 O14 -","- C38 H28 Eu2 N9 O14 -","- C38 H28 Eu2 N9 O14 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0733","0.0665","","","0.1829","0.1894","","","","","","1.051","","","","has coordinates,has disorder","232718","2020-10-21","18:00:00",""
"7235356","10.5378","0.0013","11.3009","0.0008","12.9441","0.0011","107.074","0.007","107.411","0.01","92.773","0.008","1390.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H13 Eu2 N4 O15 -","- C30 H13 Eu2 N4 O15 -","- C30 H13 Eu2 N4 O15 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0766","0.0659","","","0.1636","0.1705","","","","","","0.99","","","","has coordinates,has disorder","232718","2020-10-21","18:00:00",""
"7235357","10.4157","0.0015","11.2176","0.0018","11.806","0.002","93.298","0.014","109.635","0.014","106.949","0.014","1224.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Eu2 N9 O14 -","- C38 H28 Eu2 N9 O14 -","- C38 H28 Eu2 N9 O14 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.1077","0.0742","","","0.1855","0.2116","","","","","","0.985","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235358","10.3923","0.0006","11.2942","0.0008","12.3282","0.0008","98.464","0.006","109.478","0.006","102.788","0.006","1291.34","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H18 Eu2 N13 O14 -","- C34 H18 Eu2 N13 O14 -","- C34 H18 Eu2 N13 O14 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0634","0.0561","","","0.1596","0.1678","","","","","","1.047","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235359","10.3363","0.0012","11.2395","0.0013","11.7729","0.0013","91.931","0.009","108.443","0.01","109.729","0.01","1206.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 Eu2 N9 O14 -","- C44 H28 Eu2 N9 O14 -","- C44 H28 Eu2 N9 O14 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0567","0.0507","","","0.1416","0.1466","","","","","","1.084","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235360","10.4361","0.0013","11.2002","0.0017","11.7349","0.0016","93.473","0.012","110.054","0.012","106.436","0.012","1216.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Eu2 N9 O16 -","- C38 H28 Eu2 N9 O16 -","- C38 H28 Eu2 N9 O16 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0658","0.0581","","","0.1622","0.1713","","","","","","1.091","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235361","10.3405","0.0005","11.1627","0.0006","11.7693","0.0006","89.563","0.004","69.495","0.005","69.743","0.005","1183.7","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H16 Eu2 N11 O12 -","- C36 H16 Eu2 N11 O12 -","- C36 H16 Eu2 N11 O12 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0554","0.0481","","","0.1324","0.1379","","","","","","1.153","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235362","10.398","0.0009","11.2742","0.0008","11.4677","0.0012","95.51","0.007","109.49","0.009","104.801","0.007","1200.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H10 Eu2 N7 O14 -","- C32 H10 Eu2 N7 O14 -","- C32 H10 Eu2 N7 O14 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0592","0.0525","","","0.1423","0.1481","","","","","","1.051","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235363","10.42","0.0008","11.1657","0.0008","11.9254","0.0008","90.062","0.006","110.667","0.007","109.83","0.007","1209.66","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H14 Eu2 N15 O12 -","- C34 H14 Eu2 N15 O12 -","- C34 H14 Eu2 N15 O12 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0729","0.0618","","","0.1701","0.1797","","","","","","1.112","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235364","10.3912","0.0011","11.3371","0.0011","12.8168","0.0012","106.322","0.008","98.73","0.008","103.042","0.009","1373.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H29 Eu2 N6 O15 -","- C44 H29 Eu2 N6 O15 -","- C44 H29 Eu2 N6 O15 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0666","0.0575","","","0.1669","0.1742","","","","","","1.175","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235365","10.4457","0.0007","11.3042","0.0009","13.9642","0.0011","110.218","0.007","107.559","0.007","91.119","0.006","1461","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H14 Eu2 N7 O14 -","- C34 H14 Eu2 N7 O14 -","- C34 H14 Eu2 N7 O14 -","1","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0822","0.0697","","","0.1965","0.2095","","","","","","1.074","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235366","10.3929","0.00011","11.267","0.00012","12.4706","0.00014","96.847","0.009","110.856","0.001","103.83","0.009","1291","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19.1 H12.2 Eu N3.2 O7 -","- C19.1 H12.2 Eu N3.2 O7 -","- C38.2 H24.4 Eu2 N6.4 O14 -","2","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0646","0.0535","","","0.141","0.1496","","","","","","1.002","","","","has coordinates,has disorder","232718","2020-10-21","18:00:00",""
"7235367","29.103","0.003","13.95","0.002","14.2309","0.0017","90","","94.204","0.011","90","","5762","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Eu N2 O7 -","- C22 H14 Eu N2 O7 -","- C176 H112 Eu8 N16 O56 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.1013","0.0756","","","0.2056","0.223","","","","","","1.126","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235368","28.2573","0.0018","14.6878","0.0009","13.639","0.0008","90","","99.327","0.007","90","","5585.9","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H36 Eu2 N3 O18 -","- C49 H36 Eu2 N3 O18 -","- C196 H144 Eu8 N12 O72 -","4","0.5","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0752","0.0536","","","0.1518","0.1677","","","","","","1.067","","","","has coordinates,has disorder","232718","2020-10-21","18:00:00",""
"7235369","29.974","0.003","12.4213","0.001","14.3039","0.0009","90","","93.371","0.007","90","","5316.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 Eu N4 O7 -","- C23 H19 Eu N4 O7 -","- C184 H152 Eu8 N32 O56 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.077","0.0538","","","0.1312","0.1422","","","","","","1.044","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235370","28.735","0.002","14.2112","0.0009","14.3322","0.0008","90","","95.126","0.005","90","","5829.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Eu N3 O8 -","- C25 H21 Eu N3 O8 -","- C200 H168 Eu8 N24 O64 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0765","0.0647","","","0.1825","0.19","","","","","","1.113","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235371","29.705","0.0017","12.9699","0.0006","13.8285","0.0006","90","","95.247","0.005","90","","5305.4","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Eu N5 O7 -","- C24 H19 Eu N5 O7 -","- C192 H152 Eu8 N40 O56 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0354","0.0304","","","0.0778","0.08","","","","","","1.067","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235372","29.6024","0.0012","13.478","0.0007","13.3524","0.0006","90","","96.594","0.004","90","","5292.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Eu N6 O7 -","- C21 H15 Eu N6 O7 -","- C168 H120 Eu8 N48 O56 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0462","0.0388","","","0.1102","0.1151","","","","","","1.137","","","","has coordinates,has disorder","232718","2020-10-21","18:00:00",""
"7235373","29.5467","0.0013","12.9685","0.0007","14.2361","0.0007","90","","94.61","0.004","90","","5437.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H13 Eu N3 O9 -","- C23 H13 Eu N3 O9 -","- C184 H104 Eu8 N24 O72 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0531","0.043","","","0.1201","0.1256","","","","","","1.082","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235374","29.463","0.002","14.619","0.0011","12.281","0.0016","90","","98.518","0.008","90","","5231.3","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Eu N3 O7 -","- C24 H22 Eu N3 O7 -","- C192 H176 Eu8 N24 O56 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0779","0.0626","","","0.1609","0.1719","","","","","","1.062","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235375","28.6627","0.001","14.0581","0.0004","13.1543","0.0005","90","","102.307","0.004","90","","5178.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Eu N5 O6 -","- C22 H14 Eu N5 O6 -","- C176 H112 Eu8 N40 O48 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","1.54184","CuKα","","0.0645","0.0602","","","0.1761","0.182","","","","","","1.084","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235376","29.081","0.002","13.3943","0.0012","13.5384","0.0014","90","","98.053","0.008","90","","5221.5","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Eu N3 O7 -","- C20 H12 Eu N3 O7 -","- C160 H96 Eu8 N24 O56 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0637","0.0571","","","0.1643","0.17","","","","","","1.07","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235377","29.7931","0.001","12.7929","0.001","13.7893","0.0007","90","","95.185","0.004","90","","5234.2","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Eu N7 O8 -","- C21 H12 Eu N7 O8 -","- C168 H96 Eu8 N56 O64 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","1.54184","CuKα","","0.0881","0.0813","","","0.2331","0.242","","","","","","1.117","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235378","29.0553","0.0012","14.1152","0.0007","13.4991","0.0007","90","","97.912","0.005","90","","5483.6","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Eu N2 O9 S -","- C22 H19 Eu N2 O9 S -","- C176 H152 Eu8 N16 O72 S8 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0801","0.0687","","","0.215","0.2263","","","","","","1.104","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235379","28.6032","0.0008","14.3668","0.0007","12.815","0.0005","90","","103.057","0.003","90","","5130","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Eu N3 O7 -","- C21 H12 Eu N3 O7 -","- C168 H96 Eu8 N24 O56 -","8","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","1.54184","CuKα","","0.0504","0.0474","","","0.1445","0.1482","","","","","","1.121","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235380","13.6903","0.0004","14.7432","0.0005","15.6518","0.0007","95.222","0.003","112.945","0.004","90.244","0.003","2894.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H41 Eu2 N7 O14 -","- C57 H41 Eu2 N7 O14 -","- C114 H82 Eu4 N14 O28 -","2","1","","Kyprianidou, Eleni J.; Lazarides, Theodore; Kaziannis, Spyridon; Kosmidis, Constantine; Itskos, Grigorios; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Single crystal coordinating solvent exchange as a general method for the enhancement of the photoluminescence properties of lanthanide MOFs","Journal of Materials Chemistry A","2014","2","15","5258","","10.1039/c3ta14489e","","","0.71073","MoKα","","0.0654","0.0529","","","0.1315","0.1404","","","","","","1.026","","","","has coordinates","232718","2020-10-21","18:00:00",""
"7235381","7.3742","0.0003","11.4011","0.0006","11.6706","0.0006","89.666","0.004","76.813","0.004","74.971","0.004","921.16","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H36 Mg5 O33 -","- C20 H26 Mg5 O33 -","- C20 H26 Mg5 O33 -","1","0.5","","Wu, Zhao-Feng; Tan, Bin; Feng, Mei-Ling; Lan, An-Jian; Huang, Xiao-Ying","A magnesium MOF as a sensitive fluorescence sensor for CS2 and nitroaromatic compounds","J. Mater. Chem. A","2014","2","18","6426","","10.1039/C3TA15071B","","","0.71073","MoKα","","0.0454","0.0366","","","0.076","0.0779","","","","","","1.001","","","","has coordinates","232719","2020-10-21","18:00:00",""
"7235382","7.7969","0.0006","12.0686","0.0007","10.9819","0.0006","90","","103.056","0.006","90","","1006.66","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H F N -","- C2.10526 H1.68421 F0.631579 N0.631579 -","- C40 H32 F12 N12 -","19","4.75","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.7107","MoKα","","0.0803","0.0566","","","0.1559","0.1789","","","","","","1.075","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235383","16.0332","0.0012","6.8721","0.0004","10.703","0.0007","90","","105.264","0.007","90","","1137.67","0.14","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C H Cl F N -","- C2.25 H1.25 Cl0.5 F0.75 N0.75 -","- C36 H20 Cl8 F12 N12 -","16","8","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.7107","MoKα","","0.0854","0.0688","","","0.2048","0.2299","","","","","","1.586","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235384","5.4767","0.0005","24.405","0.002","7.9829","0.0008","90","","97.37","0.009","90","","1058.17","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 F N5 O2 -","- C36 H20 F12 N16 O8 -","- C36 H20 F12 N16 O8 -","1","0.25","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.7107","MoKα","","0.1413","0.0741","","","0.2063","0.2283","","","","","","1.162","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235385","6.4061","0.0003","10.243","0.0006","16.3818","0.0008","90","","90","","90","","1074.94","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4.5 H2 F2 N2 O -","- C4.5 H2 F2 N2 O -","- C36 H16 F16 N16 O8 -","8","2","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.71073","MoKα","","0.0372","0.0332","","","0.0862","0.0892","","","","","","1.057","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235386","14.58","0.002","13.1345","0.0019","5.7684","0.0006","90","","90.465","0.013","90","","1104.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C H Cl0.06 F N O -","- C2.25 H Cl0.25 F0.75 N O0.5 -","- C36 H16 Cl4 F12 N16 O8 -","16","4","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.7107","MoKα","","0.1342","0.0651","","","0.1513","0.2132","","","","","","0.845","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235387","7.445","0.002","15.889","0.005","10.638","0.003","90","","109.22","0.005","90","","1188.3","0.6","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 F3 N6 -","- C11 H7 F3 N6 -","- C44 H28 F12 N24 -","4","1","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.71073","MoKα","","0.0648","0.0404","","","0.0946","0.1073","","","","","","1.011","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235388","17.315","0.004","8.8212","0.0018","19.147","0.004","90","","90","","90","","2924.5","1.1","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C H F N -","- C2.12245 H1.30612 F0.489796 N1.46939 -","- C104 H64 F24 N72 -","49","12.25","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.71073","MoKα","","0.1394","0.0904","","","0.222","0.2563","","","","","","1.021","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235389","8.5034","0.0013","10.042","0.002","10.289","0.002","61.31","0.02","84.601","0.015","72.454","0.016","733.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C H F N O -","- C2.6 H1.6 F0.6 N1.8 -","- C26 H16 F6 N18 -","10","5","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.7107","MoKα","","0.0908","0.0657","","","0.1979","0.2196","","","","","","1.315","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235390","18.596","0.005","10.898","0.003","28.644","0.008","90","","90.48","0.004","90","","5805","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C H F N O -","- C2.16667 H1.33333 F0.5 N1.5 -","- C208 H128 F48 N144 -","96","12","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.71073","MoKα","","0.0814","0.065","","","0.2038","0.2175","","","","","","1.063","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235391","13.224","0.0008","10.7927","0.0007","20.8619","0.001","90","","93.504","0.005","90","","2971.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 F3 N8 -","- C13 H8 F3 N9 -","- C104 H64 F24 N72 -","8","2","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.7107","MoKα","","0.0892","0.0571","","","0.1654","0.2066","","","","","","0.814","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235392","12.6575","0.0006","5.6511","0.0003","12.7702","0.0006","90","","104.861","0.002","90","","882.88","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","PEPSEQ A=2 PHE*-PHE*","(β^3^-homophenylalanyl)-(α,β-dehydrophenylalanine) monohydrate","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C38 H44 N4 O8 -","2","1","","Parween, Shaheena; Misra, Anurag; Ramakumar, Suryanarayanarao; Chauhan, Virander Singh","Self-assembled dipeptide nanotubes constituted by flexible β-phenylalanine and conformationally constrained α,β-dehydrophenylalanine residues as drug delivery system","Journal of Materials Chemistry B","2014","2","20","3096","","10.1039/c3tb21856b","","","0.71073","MoKα","","0.0766","0.0431","","","0.0898","0.1027","","","","","","0.993","","","","has coordinates","232724","2020-10-21","18:00:00",""
"7235393","5.786","0.0007","24.375","0.003","25.285","0.003","90","","90","","90","","3566","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","PEPSEQ A=2 PHE*-PHE*","'(β^3^-homophenylalanyl)-phenylalanine) hemihydrate'","","- C38 H46 N4 O7 -","- C38 H44 N4 O7 -","- C152 H176 N16 O28 -","4","1","","Parween, Shaheena; Misra, Anurag; Ramakumar, Suryanarayanarao; Chauhan, Virander Singh","Self-assembled dipeptide nanotubes constituted by flexible β-phenylalanine and conformationally constrained α,β-dehydrophenylalanine residues as drug delivery system","Journal of Materials Chemistry B","2014","2","20","3096","","10.1039/c3tb21856b","","","0.71073","MoKα","","0.2237","0.0781","","","0.1468","0.2077","","","","","","0.972","","","","has coordinates","232724","2020-10-21","18:00:00",""
"7235394","8.152","0.002","20.538","0.005","12.736","0.003","90","","93.44","0.02","90","","2128.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Cu3 N10 O20 -","- C34 H46 Cu3 N10 O20 -","- C68 H92 Cu6 N20 O40 -","2","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio","On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views","CrystEngComm","2014","16","27","6149","","10.1039/C4CE00003J","","","0.71073","MoKα","","0.0594","0.0351","","","0.0903","0.1002","","","","","","1.019","","","","has coordinates","232757","2020-10-21","18:00:00",""
"7235395","11.986","0.002","7.6602","0.0014","15.75","0.003","90","","94.123","0.003","90","","1442.3","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cu N4 O7 -","- C12 H14 Cu N4 O7 -","- C48 H56 Cu4 N16 O28 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio","On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views","CrystEngComm","2014","16","27","6149","","10.1039/C4CE00003J","","","0.71073","MoKα","","0.0352","0.0305","","","0.081","0.0847","","","","","","1.047","","","","has coordinates","232757","2020-10-21","18:00:00",""
"7235396","12.5445","0.0004","7.3874","0.0003","11.8763","0.0006","90","","111.118","0.001","90","","1026.68","0.07","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Co N2 O8 -","- C6 H10 Co N2 O8 -","- C24 H40 Co4 N8 O32 -","4","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio","On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views","CrystEngComm","2014","16","27","6149","","10.1039/C4CE00003J","","","1.54178","Cu","","0.0201","0.0198","","","0.0548","0.0551","","","","","","1.091","","","","has coordinates","232757","2020-10-21","18:00:00",""
"7235397","8.3425","0.0005","27.164","0.0017","9.5946","0.0006","90","","98.111","0.002","90","","2152.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cu2 N2 O15 -","- C14 H20 Cu2 N2 O15 -","- C56 H80 Cu8 N8 O60 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio","On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views","CrystEngComm","2014","16","27","6149","","10.1039/C4CE00003J","","","0.71073","MoKα","","0.0426","0.04","","","0.1237","0.1253","","","","","","1.171","","","","has coordinates","232757","2020-10-21","18:00:00",""
"7235398","13.1423","0.0003","8.5766","0.0002","15.1489","0.0003","90","","101.323","0.001","90","","1674.29","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cd N2 O5 -","- C21 H13 Cd N2 O5 -","- C84 H52 Cd4 N8 O20 -","4","1","","Zhang, Xiao-jing; Li, Jian-qiang; Liu, Shu-juan; Luo, Ming-biao; Xu, Wen-yuan; Luo, Feng","An unprecedented (4,8)-connected net featuring gsp2 topology and containing an exceptional coordination mode of acylamide ligand","CrystEngComm","2014","16","24","5216","","10.1039/c4ce00146j","","","0.71073","MoKα","","0.0277","0.0247","","","0.0646","0.0671","","","","","","1.102","","","","has coordinates","232759","2020-10-21","18:00:00",""
"7235399","8.6936","0.0008","11.192","0.0011","16.621","0.0016","92.087","0.001","105.046","0.001","95.751","0.001","1550.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cr N5 O17 -","- C26 H28 Cr N5 O17 -","- C52 H56 Cr2 N10 O34 -","2","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Molčanov, Krešimir; Eydizadeh, Ehsan; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions","CrystEngComm","2014","16","24","5352","","10.1039/c4ce00325j","","","0.71073","MoKα","","0.0401","0.0371","","","0.0978","0.1008","","","","","","1.063","","","","has coordinates,has disorder","232761","2020-10-21","18:00:00",""
"7235400","13.402","0.0002","10.0271","0.0001","19.8799","0.0003","90","","108.994","0.002","90","","2526.07","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cr N3 O10 -","- C27 H20 Cr N3 O10 -","- C108 H80 Cr4 N12 O40 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Molčanov, Krešimir; Eydizadeh, Ehsan; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions","CrystEngComm","2014","16","24","5352","","10.1039/c4ce00325j","","x-ray","1.54179","CuKα","","","0.0382","","","","0.1217","","","","","","1.103","","","","has coordinates","232761","2020-10-21","18:00:00",""
"7235401","35.1399","0.0009","9.6985","0.0002","18.5587","0.0005","90","","119.555","0.003","90","","5501.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H47 Cr2 N8 O22.55 -","- C54 H47 Cr2 N8 O22.55 -","- C216 H188 Cr8 N32 O90.2 -","4","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Molčanov, Krešimir; Eydizadeh, Ehsan; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions","CrystEngComm","2014","16","24","5352","","10.1039/c4ce00325j","","x-ray","1.54184","CuKα","","","0.0365","","","","0.108","","","","","","1.06","","","","has coordinates","232761","2020-10-21","18:00:00",""
"7235402","13.676","0.003","10.0513","0.0019","13.785","0.003","90","","115.251","0.013","90","","1713.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 Ni O11 -","- C14 H14 N2 Ni O11 -","- C56 H56 N8 Ni4 O44 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Molčanov, Krešimir; Eydizadeh, Ehsan; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions","CrystEngComm","2014","16","24","5352","","10.1039/c4ce00325j","","","0.71073","MoKα","","0.0516","0.0384","","","0.0962","0.1028","","","","","","1.045","","","","has coordinates","232761","2020-10-21","18:00:00",""
"7235403","12.328","0.005","16.545","0.007","12.821","0.005","90","","109.19","0.005","90","","2469.7","1.7","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C50 H70 N4 O20 S -","- C50 H70 N4 O20 S -","- C100 H140 N8 O40 S2 -","2","0.5","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.7749","synchrotron","","0.085","0.0668","","","0.2","0.2194","","","","","","1.068","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235404","12.72","0.003","39.701","0.01","16.861","0.004","90","","95.212","0.004","90","","8480","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","c2phemimetso4","","","- C84 H110 N6 O27 S3 -","- C84 H104 N6 O27 S3 -","- C336 H416 N24 O108 S12 -","4","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.71073","MoKα","","0.1209","0.0728","","","0.1867","0.2195","","","","","","1.043","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235405","9.9102","0.0015","14.121","0.002","14.877","0.002","91.328","0.002","96.132","0.002","96.436","0.002","2055.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2DFMJ12","","","- C42 H53 N3 O17 S -","- C42 H51 N3 O17 S -","- C84 H102 N6 O34 S2 -","2","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.7749","synchrotron","","0.0936","0.0575","","","0.14","0.1598","","","","","","1.008","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235406","19.3218","0.0016","14.7252","0.0012","32.896","0.003","90","","104.855","0.002","90","","9046.7","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","3DFMJ12","","","- C87 H122 N4 O36 S -","- C87 H108 N4 O36 S -","- C348 H432 N16 O144 S4 -","4","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.7749","synchrotron","","0.0962","0.0766","","","0.2043","0.2276","","","","","","1.022","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235407","10.059","0.0019","14.556","0.003","15.558","0.003","92.816","0.002","93.863","0.002","96.287","0.002","2255.5","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","C2emimMeCN","","","- C46 H61 N3 O17 S -","- C46 H59 N3 O17 S -","- C92 H118 N6 O34 S2 -","2","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.71073","MoKα","","0.084","0.0499","","","0.1268","0.1502","","","","","","1.013","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235408","21.075","0.009","12.796","0.006","18.229","0.008","90","","96.533","0.006","90","","4884","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pgc4emimace","","","- C50 H72 N2 O18 S -","- C50 H72 N2 O18 S -","- C200 H288 N8 O72 S4 -","4","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.71073","MoKα","","0.2169","0.0934","","","0.2099","0.2636","","","","","","1.024","","","","has coordinates","232764","2020-10-21","18:00:00",""
"7235410","11.532","0.002","13.619","0.003","11.371","0.002","90","","95.74","0.03","90","","1776.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.0739","0.0435","","","0.1106","0.1229","","","","","","1.034","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235411","15.01","0.003","9.2532","0.0019","16.741","0.003","90","","113.64","0.03","90","","2130","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 N4 O2 Zn -","- C20 H18 Cl2 N4 O2 Zn -","- C80 H72 Cl8 N16 O8 Zn4 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.0649","0.0411","","","0.0839","0.0929","","","","","","1.07","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235412","10.023","0.002","14.669","0.003","14.429","0.003","90","","96.56","0.03","90","","2107.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cd4","","","- C20 H18 Cd Cl2 N4 O2 -","- C20 H18 Cd Cl2 N4 O2 -","- C80 H72 Cd4 Cl8 N16 O8 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.035","0.0291","","","0.0834","0.0866","","","","","","1.153","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235413","11.0477","0.0002","18.3261","0.0005","19.7231","0.0005","90","","91.198","0.002","90","","3992.29","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cd N10 O11 -","- C40 H38 Cd N10 O11 -","- C160 H152 Cd4 N40 O44 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.065","0.0414","","","0.0939","0.1103","","","","","","1.028","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235414","7.9949","0.0016","11.283","0.002","11.996","0.002","97.51","0.03","103.89","0.03","102.5","0.03","1006.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl2 Hg N4 O2 -","- C20 H18 Cl2 Hg N4 O2 -","- C40 H36 Cl4 Hg2 N8 O4 -","2","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.0387","0.0337","","","0.0894","0.0963","","","","","","0.879","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235415","7.346","0.0015","9.4","0.0019","10.7","0.002","101.75","0.03","90.16","0.03","92.82","0.03","722.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H9 Cl2 N3 O Zn -","- C13 H11 Cl2 N3 O Zn -","- C26 H22 Cl4 N6 O2 Zn2 -","2","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.1369","0.0785","","","0.2118","0.3374","","","","","","0.986","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235416","7.9745","0.0018","16.072","0.004","10.223","0.003","90","","110.051","0.007","90","","1230.8","0.6","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-bis(9-carbazolyl)biphenyl","","- C36 H24 N2 -","- C36 H24 N2 -","- C72 H48 N4 -","2","0.5","","Gleason, Cody J.; Cox, Jordan M.; Walton, Ian M.; Benedict, Jason B.","Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl","CrystEngComm","2014","16","33","7621","","10.1039/C4CE01056F","","x-ray","0.71073","MoKα","","0.0866","0.0496","","","0.1147","0.1268","","","","","","1.046","","","","has coordinates","232769","2020-10-21","18:00:00",""
"7235417","26.9518","0.0017","12.3277","0.0008","15.2781","0.001","90","","90","","90","","5076.2","0.6","90","","90","","","","","","","","","3","A e a 2","A 2 -2ab","41","","4,4'‒bis(9-carbazolyl)biphenyl","","- C36 H24 N2 -","- C36 H24 N2 -","- C288 H192 N16 -","8","1","","Gleason, Cody J.; Cox, Jordan M.; Walton, Ian M.; Benedict, Jason B.","Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl","CrystEngComm","2014","16","33","7621","","10.1039/C4CE01056F","","x-ray","0.71073","MoKα","","0.0372","0.0318","","","0.0714","0.0737","","","","","","1.07","","","","has coordinates","232769","2020-10-21","18:00:00",""
"7235418","18.0076","0.001","7.3919","0.0004","36.337","0.002","90","","90","","90","","4836.8","0.5","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,4'-bis(9-carbazolyl)biphenyl","","- C36 H24 N2 -","- C36 H24 N2 -","- C288 H192 N16 -","8","1","","Gleason, Cody J.; Cox, Jordan M.; Walton, Ian M.; Benedict, Jason B.","Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl","CrystEngComm","2014","16","33","7621","","10.1039/C4CE01056F","","x-ray","0.71073","MoKα","","0.066","0.046","","","0.1093","0.1214","","","","","","1.022","","","","has coordinates","232769","2020-10-21","18:00:00",""
"7235432","6.7804","0.0001","16.5729","0.0004","17.5034","0.0004","90","","92.688","0.002","90","","1964.71","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 N7 O3 Re -","- C21 H12 N7 O3 Re -","- C84 H48 N28 O12 Re4 -","4","1","","Bader, Christie A.; Brooks, Robert D.; Ng, Yeap S.; Sorvina, Alexandra; Werrett, Melissa V.; Wright, Phillip J.; Anwer, Ayad G.; Brooks, Douglas A.; Stagni, Stefano; Muzzioli, Sara; Silberstein, Morry; Skelton, Brian W.; Goldys, Ewa M.; Plush, Sally E.; Shandala, Tetyana; Massi, Massimiliano","Modulation of the organelle specificity in Re(i) tetrazolato complexes leads to labeling of lipid droplets","RSC Adv.","2014","4","31","16345","","10.1039/C4RA00050A","","","0.71073","MoKα","","0.0602","0.0277","","","0.0397","0.0422","","","","","","0.794","","","","has coordinates,has disorder","233027","2020-10-21","18:00:00",""
"7235433","5.0423","0.0004","33.7458","0.0018","7.9966","0.0004","90","","100.002","0.005","90","","1339.99","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 O6 -","- C34 H30 N2 O6 -","- C68 H60 N4 O12 -","2","0.5","","Rybakiewicz, Renata; Tszydel, Izabela; Zapala, Joanna; Skorka, Lukasz; Wamil, Damian; Djurado, David; Pécaut, Jacques; Ulanski, Jacek; Zagorska, Malgorzata; Pron, Adam","New semiconducting naphthalene bisimides N-substituted with alkoxyphenyl groups: spectroscopic, electrochemical, structural and electrical properties","RSC Adv.","2014","4","27","14089","","10.1039/C4RA00052H","","","0.71073","MoKα","","0.1826","0.0784","","","0.1054","0.1419","","","","","","0.983","","","","has coordinates","233029","2020-10-21","18:00:00",""
"7235434","8.4404","0.0013","8.8932","0.0014","24.019","0.003","89.09","0.011","80.49","0.011","62.786","0.016","1577.6","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N2 O6 -","- C38 H38 N2 O6 -","- C76 H76 N4 O12 -","2","1","","Rybakiewicz, Renata; Tszydel, Izabela; Zapala, Joanna; Skorka, Lukasz; Wamil, Damian; Djurado, David; Pécaut, Jacques; Ulanski, Jacek; Zagorska, Malgorzata; Pron, Adam","New semiconducting naphthalene bisimides N-substituted with alkoxyphenyl groups: spectroscopic, electrochemical, structural and electrical properties","RSC Adv.","2014","4","27","14089","","10.1039/C4RA00052H","","","0.71073","MoKα","","0.1529","0.0818","","","0.1255","0.1538","","","","","","1.017","","","","has coordinates","233029","2020-10-21","18:00:00",""
"7235435","5.2267","0.0005","7.617","0.0005","22.3732","0.0018","96.434","0.006","95.114","0.007","100.318","0.007","865.34","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","1","0.5","","Rybakiewicz, Renata; Tszydel, Izabela; Zapala, Joanna; Skorka, Lukasz; Wamil, Damian; Djurado, David; Pécaut, Jacques; Ulanski, Jacek; Zagorska, Malgorzata; Pron, Adam","New semiconducting naphthalene bisimides N-substituted with alkoxyphenyl groups: spectroscopic, electrochemical, structural and electrical properties","RSC Adv.","2014","4","27","14089","","10.1039/C4RA00052H","","","0.71073","MoKα","","0.1763","0.079","","","0.1207","0.1554","","","","","","1.014","","","","has coordinates","233029","2020-10-21","18:00:00",""
"7235436","9.9298","0.0004","11.196","0.0005","12.2592","0.0005","90.62","0.001","92.718","0.001","105.508","0.001","1311.42","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cl2 Hg N3 O3 -","- C21 H21 Cl2 Hg N3 O3 -","- C42 H42 Cl4 Hg2 N6 O6 -","2","1","","Zhong, Keli; Zhou, Xue; Hou, Ruibin; Zhou, Pei; Hou, Shuhua; Bian, Yanjiang; Zhang, Gang; Tang, Lijun; Shang, Xiaohong","A water-soluble highly sensitive and selective fluorescent sensor for Hg2+ based on 2-(2-(8-hydroxyquinolin)-yl)benzimidazole via ligand-to-metal charge transfer (LMCT)","RSC Advances","2014","4","32","16612","","10.1039/c4ra00060a","","","0.71073","MoKα","","0.0285","0.0263","","","0.0712","0.0731","","","","","","1.008","","","","has coordinates","233031","2020-10-21","18:00:00",""
"7235437","15.625","0.004","9.194","0.002","27.403","0.007","90","","90","","90","","3936.6","1.7","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C168 H168 N24 O24 -","8","1","","Zhong, Keli; Zhou, Xue; Hou, Ruibin; Zhou, Pei; Hou, Shuhua; Bian, Yanjiang; Zhang, Gang; Tang, Lijun; Shang, Xiaohong","A water-soluble highly sensitive and selective fluorescent sensor for Hg2+ based on 2-(2-(8-hydroxyquinolin)-yl)benzimidazole via ligand-to-metal charge transfer (LMCT)","RSC Advances","2014","4","32","16612","","10.1039/c4ra00060a","","","0.71073","MoKα","","0.1095","0.089","","","0.2647","0.2867","","","","","","1.049","","","","has coordinates","233031","2020-10-21","18:00:00",""
"7235438","5.339","0.0011","7.4715","0.0016","28.443","0.006","85.669","0.015","89.406","0.016","76.688","0.015","1100.9","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H80 N2 O4 -","- C48 H80 N2 O4 -","- C48 H80 N2 O4 -","1","0.5","","Murray, Niamh S.; Rudd, Jennifer A.; Chamayou, Anne-Christine; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Assembling model tris(bipyridine)ruthenium(ii) photosensitizers into ordered monolayers in the presence of the polyoxometallate anion [Co4(H2O)2(α-PW9O34)2]10−","RSC Adv.","2014","4","23","11766","","10.1039/C4RA00085D","","","1.54178","CuKα","","0.1626","0.074","","","0.2239","0.2562","","","","","","1.051","","","","has coordinates","233032","2020-10-21","18:00:00",""
"7235439","4.9987","0.0011","5.3505","0.001","41.561","0.008","92.041","0.007","92.798","0.007","90.983","0.007","1109.3","0.4","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H80 N2 O4 -","- C48 H80 N2 O4 -","- C48 H80 N2 O4 -","1","0.5","","Murray, Niamh S.; Rudd, Jennifer A.; Chamayou, Anne-Christine; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Assembling model tris(bipyridine)ruthenium(ii) photosensitizers into ordered monolayers in the presence of the polyoxometallate anion [Co4(H2O)2(α-PW9O34)2]10−","RSC Adv.","2014","4","23","11766","","10.1039/C4RA00085D","","","0.71073","MoKα","","0.1856","0.1325","","0.13","0.0982","0.095","","","","","","0.9591","","","","has coordinates","233032","2020-10-21","18:00:00",""
"7235440","7.503","0.006","8.497","0.006","12.678","0.01","91.01","0.04","92.57","0.03","99.07","0.04","797.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Cl N2 O4 -","- C16 H17 Cl N2 O4 -","- C32 H34 Cl2 N4 O8 -","2","1","","Kalita, Subarna Jyoti; Mecadon, Hormi; Deka, Dibakar C.","FeCl3·6H2O catalyzed aqueous media domino synthesis of 5-monoalkylbarbiturates: water as both reactant and solvent","RSC Adv.","2014","4","20","10402","","10.1039/C4RA00093E","","","0.71073","MoKα","","0.0805","0.0561","","","0.1874","0.2291","","","","","","0.799","","","","has coordinates","233034","2020-10-21","18:00:00",""
"7235441","7.1542","0.001","10.7836","0.0015","13.6937","0.0016","100.555","0.01","102.81","0.011","96.767","0.011","998.8","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H17 N O6 S -","- C22 H17 N O6 S -","- C44 H34 N2 O12 S2 -","2","2","","Verma, Girijesh Kumar; Shukla, Gaurav; Nagaraju, Anugula; Srivastava, Abhijeet; Raghuvanshi, Keshav; Singh, Maya Shankar","DMAP-promoted domino annulation of β-ketothioamides with internal alkynes: a highly regioselective access to functionalized 1,3-thiazolidin-4-ones at room temperature","RSC Adv.","2014","4","23","11640","","10.1039/C4RA00131A","","","0.71073","MoKα","","0.0851","0.0403","","","0.1077","0.1788","","","","","","0.97","","","","has coordinates","233036","2020-10-21","18:00:00",""
"7235442","5.2501","0.0003","12.3403","0.0006","25.2776","0.0016","90","","91.844","0.006","90","","1636.83","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O4 S2 -","- C16 H17 N O4 S2 -","- C64 H68 N4 O16 S8 -","4","1","","Verma, Girijesh Kumar; Shukla, Gaurav; Nagaraju, Anugula; Srivastava, Abhijeet; Raghuvanshi, Keshav; Singh, Maya Shankar","DMAP-promoted domino annulation of β-ketothioamides with internal alkynes: a highly regioselective access to functionalized 1,3-thiazolidin-4-ones at room temperature","RSC Adv.","2014","4","23","11640","","10.1039/C4RA00131A","","","0.71073","MoKα","","0.0717","0.048","","","0.1096","0.1255","","","","","","1.037","","","","has coordinates","233036","2020-10-21","18:00:00",""
"7235443","16.104","0.006","6.924","0.003","22.877","0.007","90","","117.522","0.019","90","","2262.2","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O5 -","- C26 H25 N O5 -","- C104 H100 N4 O20 -","4","1","","Goutham, Kommuru; Nagaraju, Vemu; Suresh, Surisetti; Raghavaiah, Pallepogu; Karunakar, Galla V.","Reaction of N-propargylic β-enaminones with acetylene dicarboxylates: catalyst-free synthesis of 3-azabicyclo[4.1.0]hepta-2,4-dienes","RSC Adv.","2014","4","40","21054","","10.1039/C4RA00136B","","","0.71073","MoKα","","0.0668","0.0552","","","0.1616","0.1718","","","","","","1.068","","","","has coordinates","233038","2020-10-21","18:00:00",""
"7235444","11.41","0.03","11.09","0.03","14.77","0.04","90","","92.95","0.04","90","","1866","9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N2 O6 V -","- C19 H17 N2 O6 V -","- C76 H68 N8 O24 V4 -","4","1","","Patra, Debashis; Biswas, Nirmalendu; Mondal, Bipul; Mitra, Partha; Drew, Michael G. B.; Ghosh, Tapas","Electronic effects of para substituents of 2-hydroxybenzaldehyde co-ligands in a family of hydrazonato-oxidovanadium(v) complexes","RSC Advances","2014","4","42","22022","","10.1039/c4ra00139g","","","0.71073","MoKα","","0.0736","0.0466","","","0.124","0.1469","","","","","","1.032","","","","has coordinates","233040","2020-10-21","18:00:00",""
"7235445","13.105","0.007","8.486","0.004","19.71","0.01","90","","93.973","0.015","90","","2186.7","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N2 O6 V -","- C24 H19 N2 O6 V -","- C96 H76 N8 O24 V4 -","4","1","","Patra, Debashis; Biswas, Nirmalendu; Mondal, Bipul; Mitra, Partha; Drew, Michael G. B.; Ghosh, Tapas","Electronic effects of para substituents of 2-hydroxybenzaldehyde co-ligands in a family of hydrazonato-oxidovanadium(v) complexes","RSC Advances","2014","4","42","22022","","10.1039/c4ra00139g","","","0.71073","MoKα","","0.1101","0.056","","","0.1218","0.1489","","","","","","0.995","","","","has coordinates","233040","2020-10-21","18:00:00",""
"7235446","18.5154","0.0018","9.8382","0.0009","19.301","0.002","90","","90","","90","","3515.8","0.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36 H34 N4 O10 V2 -","- C36 H34 N4 O10 V2 -","- C144 H136 N16 O40 V8 -","4","1","","Patra, Debashis; Biswas, Nirmalendu; Mondal, Bipul; Mitra, Partha; Drew, Michael G. B.; Ghosh, Tapas","Electronic effects of para substituents of 2-hydroxybenzaldehyde co-ligands in a family of hydrazonato-oxidovanadium(v) complexes","RSC Advances","2014","4","42","22022","","10.1039/c4ra00139g","","","0.71073","MoKα","","0.0353","0.0286","","","0.0655","0.0686","","","","","","1.03","","","","has coordinates","233040","2020-10-21","18:00:00",""
"7235447","11.8887","0.0009","13.9072","0.0011","18.0799","0.0014","108.122","0.007","93.759","0.006","90.318","0.006","2833.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.5 H24.5 Cl1.5 N4 O9 V2 -","- C24.5 H24.5 Cl1.5 N4 O9 V2 -","- C98 H98 Cl6 N16 O36 V8 -","4","2","","Patra, Debashis; Biswas, Nirmalendu; Mondal, Bipul; Mitra, Partha; Drew, Michael G. B.; Ghosh, Tapas","Electronic effects of para substituents of 2-hydroxybenzaldehyde co-ligands in a family of hydrazonato-oxidovanadium(v) complexes","RSC Advances","2014","4","42","22022","","10.1039/c4ra00139g","","","0.71073","MoKα","","0.1763","0.0924","","","0.1376","0.1696","","","","","","0.986","","","","has coordinates","233040","2020-10-21","18:00:00",""
"7235448","9.513","0.002","12.852","0.003","13.247","0.003","100.8","0.02","100.66","0.02","102.393","0.018","1510.4","0.6","120","2","120","2","","","101","","","","","4","P -1","-P 1","2","1,6-bis(diphenyltellurophosphoryl)hexane","1,6-bis(diphenyltellurophosphoryl)hexane","","- C30 H32 P2 Te2 -","- C30 H32 P2 Te2 -","- C60 H64 P4 Te4 -","2","1","","Jeremias, Lukáš; Babiak, Michal; Kubát, Václav; Calhorda, Maria José; Trávníček, Zdeněk; Novosad, Josef","Successful oxidation of Ph2P(CH2)nPPh2 (n = 2, 4, 6) by tellurium leading to Ph2P(Te)(CH2)nP(Te)Ph2","RSC Advances","2014","4","30","15428","","10.1039/c4ra00157e","","x-ray","0.71073","MoKα","","0.0486","0.0361","","","0.0911","0.0937","","","","","","1.039","","","","has coordinates","233042","2020-10-21","18:00:00",""
"7235449","9.0157","0.0004","14.291","0.0007","9.7134","0.0004","90","","100.562","0.004","90","","1230.3","0.1","120","2","120","2","","","101","","","","","4","P 1 21 1","P 2yb","4","1-(diphenyltellurophosphoryl)-4-(diphenylphosphino)butane","1-(diphenyltellurophosphoryl)-4-(diphenylphosphino)butane","","- C28 H28 P2 Te -","- C28 H28 P2 Te -","- C56 H56 P4 Te2 -","2","1","","Jeremias, Lukáš; Babiak, Michal; Kubát, Václav; Calhorda, Maria José; Trávníček, Zdeněk; Novosad, Josef","Successful oxidation of Ph2P(CH2)nPPh2 (n = 2, 4, 6) by tellurium leading to Ph2P(Te)(CH2)nP(Te)Ph2","RSC Advances","2014","4","30","15428","","10.1039/c4ra00157e","","x-ray","0.71073","MoKα","","0.0259","0.024","","","0.0562","0.0569","","","","","","1.03","","","","has coordinates,has disorder","233042","2020-10-21","18:00:00",""
"7235450","17.383","0.004","9.831","0.003","14.5721","0.0009","90","","99.732","0.012","90","","2454.4","1","120","2","120","2","","","101","","","","","4","C 1 2/c 1","-C 2yc","15","1,2-bis(diphenyltellurophosphoryl)ethane","1,2-bis(diphenyltellurophosphoryl)ethane","","- C26 H24 P2 Te2 -","- C26 H24 P2 Te2 -","- C104 H96 P8 Te8 -","4","0.5","","Jeremias, Lukáš; Babiak, Michal; Kubát, Václav; Calhorda, Maria José; Trávníček, Zdeněk; Novosad, Josef","Successful oxidation of Ph2P(CH2)nPPh2 (n = 2, 4, 6) by tellurium leading to Ph2P(Te)(CH2)nP(Te)Ph2","RSC Advances","2014","4","30","15428","","10.1039/c4ra00157e","","x-ray","0.71073","MoKα","","0.0244","0.0172","","","0.0372","0.0378","","","","","","0.955","","","","has coordinates","233042","2020-10-21","18:00:00",""
"7235451","11.0364","0.0011","11.3292","0.0008","15.9216","0.0016","90","","103.696","0.009","90","","1934.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O4 Zn -","- C22 H20 N2 O4 Zn -","- C88 H80 N8 O16 Zn4 -","4","1","","Xu, Bo; Liang, Qing-Shan; Liu, Lian-Tao; Liu, Qi-Sheng; Li, Cun-Cheng","Structures and properties of four coordination polymers constructed from 1,3-bis-(4-pyridyl)-propane and aromatic dicarboxylic acids","RSC Advances","2014","4","27","13919","","10.1039/c4ra00163j","","","0.71073","MoKα","","0.0866","0.0687","","","0.1803","0.1987","","","","","","1.155","","","","has coordinates","233044","2020-10-21","18:00:00",""
"7235452","8.9484","0.0006","10.1378","0.0006","11.8315","0.0006","68.413","0.005","84.359","0.005","78.184","0.005","976.58","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Co N2 O4 -","- C22 H20 Co N2 O4 -","- C44 H40 Co2 N4 O8 -","2","1","","Xu, Bo; Liang, Qing-Shan; Liu, Lian-Tao; Liu, Qi-Sheng; Li, Cun-Cheng","Structures and properties of four coordination polymers constructed from 1,3-bis-(4-pyridyl)-propane and aromatic dicarboxylic acids","RSC Advances","2014","4","27","13919","","10.1039/c4ra00163j","","","0.71073","MoKα","","0.0479","0.0386","","","0.0955","0.1024","","","","","","1.07","","","","has coordinates","233044","2020-10-21","18:00:00",""
"7235453","9.5955","0.0003","14.7243","0.0014","14.8584","0.0014","67.778","0.009","85.961","0.005","85.587","0.005","1935.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 N6 O12 Zn2 -","- C42 H34 N6 O12 Zn2 -","- C84 H68 N12 O24 Zn4 -","2","1","","Xu, Bo; Liang, Qing-Shan; Liu, Lian-Tao; Liu, Qi-Sheng; Li, Cun-Cheng","Structures and properties of four coordination polymers constructed from 1,3-bis-(4-pyridyl)-propane and aromatic dicarboxylic acids","RSC Advances","2014","4","27","13919","","10.1039/c4ra00163j","","","0.71073","MoKα","","0.1085","0.0917","","","0.2294","0.2519","","","","","","1.039","","","","has coordinates","233044","2020-10-21","18:00:00",""
"7235454","14.4137","0.0015","18.2182","0.0015","16.621","0.0016","90","","102.434","0.011","90","","4262.2","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Co N3 O7 -","- C21 H19 Co N3 O7 -","- C168 H152 Co8 N24 O56 -","8","1","","Xu, Bo; Liang, Qing-Shan; Liu, Lian-Tao; Liu, Qi-Sheng; Li, Cun-Cheng","Structures and properties of four coordination polymers constructed from 1,3-bis-(4-pyridyl)-propane and aromatic dicarboxylic acids","RSC Advances","2014","4","27","13919","","10.1039/c4ra00163j","","","0.71073","MoKα","","0.194","0.0767","","","0.1295","0.1771","","","","","","0.952","","","","has coordinates","233044","2020-10-21","18:00:00",""
"7235455","14.8017","0.001","13.8173","0.0009","17.9104","0.0012","90","","90","","90","","3663","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","'4N-((7-hydroxy-2-oxo-4-(trifluoromethyl)-2H-chromen-8-yl) (4-methoxyphenyl)methyl)acetamide'","","- C20 H16 F3 N O5 -","- C20 H16 F3 N O5 -","- C160 H128 F24 N8 O40 -","8","1","","Emmadi, Narender Reddy; Atmakur, Krishnaiah; Chennapuram, Madhu; Nanubolu, Jagadeesh Babu","Synthesis of amidoalkyl chromen-2-ones by one pot three component reaction under solvent free conditions","RSC Advances","2014","4","28","14501","","10.1039/c4ra00166d","","","0.71073","MoKα","","0.038","0.0337","","","0.0914","0.0959","","","","","","1.032","","","","has coordinates","233046","2020-10-21","18:00:00",""
"7235456","13.3903","0.0005","15.7017","0.0006","19.7441","0.0007","69.349","0.003","89.497","0.003","65.072","0.004","3474.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H96 N2 O8 Zr2 -","- C70 H96 N2 O8 Zr2 -","- C140 H192 N4 O16 Zr4 -","2","1","","Tsai, Chen-Yen; Du, Hong-Cyuan; Chang, Jen-Chieh; Huang, Bor-Hunn; Ko, Bao-Tsan; Lin, Chu-Chieh","Ring-opening polymerization of cyclic esters initiated by zirconium, titanium and yttrium complexes","RSC Advances","2014","4","28","14527","","10.1039/c4ra00201f","","","0.71073","MoKα","","0.0531","0.0386","","","0.0867","0.094","","","","","","1.038","","","","has coordinates,has disorder","233047","2020-10-21","18:00:00",""
"7235457","12.6426","0.0007","14.7525","0.0009","22.5448","0.0013","90","","90.487","0.005","90","","4204.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H50 N6 O4 Zr -","- C45 H50 N6 O4 Zr -","- C180 H200 N24 O16 Zr4 -","4","1","","Tsai, Chen-Yen; Du, Hong-Cyuan; Chang, Jen-Chieh; Huang, Bor-Hunn; Ko, Bao-Tsan; Lin, Chu-Chieh","Ring-opening polymerization of cyclic esters initiated by zirconium, titanium and yttrium complexes","RSC Advances","2014","4","28","14527","","10.1039/c4ra00201f","","","0.71073","MoKα","","0.1089","0.0803","","","0.307","0.3388","","","","","","1.062","","","","has coordinates,has disorder","233047","2020-10-21","18:00:00",""
"7235458","18.273","0.004","43.561","0.009","22.573","0.005","90","","103.17","0.03","90","","17495","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H60 Cl4 Cu4 N16 O20 -","- C76 H60 Cl4 Cu4 N16 O20 -","- C608 H480 Cl32 Cu32 N128 O160 -","8","2","","Hall, Gregory S.; Emerson, Adrian J.; Turner, David R.","A non-platonic M4L4 complex constructed using heterotopic ligands","RSC Adv.","2014","4","22","11404","","10.1039/C4RA00241E","","","0.71073","synchrotron","","0.0864","0.0751","","","0.2061","0.2143","","","","","","1.032","","","","has coordinates,has disorder","233049","2020-10-21","18:00:00",""
"7235459","11.707","0.002","15.548","0.003","12.323","0.003","90","","115.34","0.03","90","","2027.2","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl2 Cu N8 O16 -","- C38 H36 Cl2 Cu N8 O16 -","- C76 H72 Cl4 Cu2 N16 O32 -","2","0.5","","Hall, Gregory S.; Emerson, Adrian J.; Turner, David R.","A non-platonic M4L4 complex constructed using heterotopic ligands","RSC Adv.","2014","4","22","11404","","10.1039/C4RA00241E","","","0.71073","synchrotron","","0.0783","0.0624","","","0.1828","0.1966","","","","","","1.058","","","","has coordinates","233049","2020-10-21","18:00:00",""
"7235460","10.3849","0.0005","11.6302","0.0003","13.8223","0.0006","99.133","0.003","91.357","0.004","112.426","0.004","1517.11","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cd N6 O6 -","- C32 H28 Cd N6 O6 -","- C64 H56 Cd2 N12 O12 -","2","1","","Zhu, Xiaofei; Wang, Ning; Xie, Xiaoyan; Hou, Ruibin; Zhou, Defeng; Li, Yafeng; Hu, Jun; Li, Xinyuan; Liu, He; Nie, Wang","A series of interdigitated Cd(ii) coordination polymers based on 4,6-dibenzoylisophthalic acid and flexible triazole ligands","RSC Adv.","2014","4","30","15816","","10.1039/C4RA00246F","","","0.71073","MoKα","","0.0439","0.0375","","","0.0911","0.0954","","","","","","1.029","","","","has coordinates,has disorder","233051","2020-10-21","18:00:00",""
"7235461","10.43","0.005","20.209","0.008","16.88","0.007","90","","104.816","0.007","90","","3440","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cd N4 O6 -","- C38 H32 Cd N4 O6 -","- C152 H128 Cd4 N16 O24 -","4","1","","Zhu, Xiaofei; Wang, Ning; Xie, Xiaoyan; Hou, Ruibin; Zhou, Defeng; Li, Yafeng; Hu, Jun; Li, Xinyuan; Liu, He; Nie, Wang","A series of interdigitated Cd(ii) coordination polymers based on 4,6-dibenzoylisophthalic acid and flexible triazole ligands","RSC Adv.","2014","4","30","15816","","10.1039/C4RA00246F","","","0.71073","MoKα","","0.0753","0.0583","","","0.1382","0.1562","","","","","","1.183","","","","has coordinates","233051","2020-10-21","18:00:00",""
"7235462","15.402","0.005","10.522","0.003","20.877","0.005","90","","114.07","0.017","90","","3089.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cd N6 O6 -","- C34 H24 Cd N6 O6 -","- C136 H96 Cd4 N24 O24 -","4","1","","Zhu, Xiaofei; Wang, Ning; Xie, Xiaoyan; Hou, Ruibin; Zhou, Defeng; Li, Yafeng; Hu, Jun; Li, Xinyuan; Liu, He; Nie, Wang","A series of interdigitated Cd(ii) coordination polymers based on 4,6-dibenzoylisophthalic acid and flexible triazole ligands","RSC Adv.","2014","4","30","15816","","10.1039/C4RA00246F","","","0.71073","MoKα","","0.0949","0.0596","","","0.1498","0.1902","","","","","","1.068","","","","has coordinates","233051","2020-10-21","18:00:00",""
"7235463","15.5249","0.0009","5.5769","0.0003","18.7323","0.0011","90","","112.714","0.003","90","","1496.07","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 N6 O3 -","- C12 H20 N6 O3 -","- C48 H80 N24 O12 -","4","1","","Radhakrishnan, K.; Sharma, Namita; Kundu, Lal Mohan","Direct synthesis of 5- and 6-substituted 2-aminopyrimidines as potential non-natural nucleobase analogues","RSC Adv.","2014","4","29","15087","","10.1039/C4RA00249K","","","0.71073","MoKα","","0.0528","0.0405","","","0.1109","0.1209","","","","","","0.876","","","","has coordinates","233053","2020-10-21","18:00:00",""
"7235464","19.3425","0.0007","13.9961","0.0007","14.4876","0.0006","90","","103.855","0.003","90","","3808","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 N6 O3 -","- C16 H28 N6 O3 -","- C128 H224 N48 O24 -","8","1","","Radhakrishnan, K.; Sharma, Namita; Kundu, Lal Mohan","Direct synthesis of 5- and 6-substituted 2-aminopyrimidines as potential non-natural nucleobase analogues","RSC Adv.","2014","4","29","15087","","10.1039/C4RA00249K","","","0.71073","MoKα","","0.0512","0.0438","","","0.1038","0.1083","","","","","","1.007","","","","has coordinates","233053","2020-10-21","18:00:00",""
"7235465","12.4798","0.0006","6.8611","0.0005","17.0339","0.001","90","","95.021","0.005","90","","1452.93","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N6 O2 -","- C14 H14 N6 O2 -","- C56 H56 N24 O8 -","4","1","","Radhakrishnan, K.; Sharma, Namita; Kundu, Lal Mohan","Direct synthesis of 5- and 6-substituted 2-aminopyrimidines as potential non-natural nucleobase analogues","RSC Adv.","2014","4","29","15087","","10.1039/C4RA00249K","","","0.71073","MoKα","","0.0678","0.0501","","","0.0856","0.0935","","","","","","1.096","","","","has coordinates","233053","2020-10-21","18:00:00",""
"7235466","7.326","0.004","7.814","0.004","12.7","0.007","75.28","0.006","84.078","0.006","88.663","0.006","699.4","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C32 H32 O8 -","2","1","","Fan, Xuesen; Shen, Nana; Li, Bin; Guo, Shenghai; Zhang, Xinying","Synthesis of 3-(4-oxo-4H-chromen-3-yl)acrylates through the tandem reaction of 3-(2-buta-2,3-dienoylphenoxy)acrylates","RSC Adv.","2014","4","29","15081","","10.1039/C4RA00277F","","","0.71073","MoKα","","0.0502","0.041","","","0.1115","0.1204","","","","","","1.037","","","","has coordinates","233055","2020-10-21","18:00:00",""
"7235467","7.187","0.005","8.453","0.005","12.382","0.005","93.382","0.005","95.364","0.005","107.885","0.005","709.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N4 O4 -","- C15 H12 N4 O4 -","- C30 H24 N8 O8 -","2","1","","Sen, Buddhadeb; Mukherjee, Manjira; Pal, Siddhartha; Mandal, Sushil Kumar; Hundal, Maninder S.; Khuda-Bukhsh, Anisur Rahman; Chattopadhyay, Pabitra","Development of a cell permeable ratiometric chemosensor and biomarker for hydrogen sulphate ions in aqueous solution","RSC Adv.","2014","4","30","15356","","10.1039/C4RA00291A","","","0.71073","MoKα","","0.0517","0.0421","","","0.1262","0.1392","","","","","","0.92","","","","has coordinates","233057","2020-10-21","18:00:00",""
"7235468","16.8394","0.001","14.6957","0.0009","15.2413","0.0009","90","","103.156","0.001","90","","3672.7","0.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br F3 N3 O2 -","- C16 H17 Br F3 N3 O2 -","- C128 H136 Br8 F24 N24 O16 -","8","2","","Leonard, Matthew J.; Lingham, Anthony R.; Niere, Julie O.; Jackson, Neale R. C.; McKay, Peter G.; Hügel, Helmut M.","Alternative synthesis of the anti-baldness compound RU58841","RSC Adv.","2014","4","27","14143","","10.1039/C4RA00332B","","","0.71073","MoKα","","0.0635","0.0416","","","0.1052","0.1097","","","","","","0.955","","","","has coordinates","233059","2020-10-21","18:00:00",""
"7235469","9.408","0.002","12.144","0.003","12.488","0.003","74.568","0.006","85.875","0.005","69.212","0.005","1285.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 F3 N3 O -","- C12 H12 F3 N3 O -","- C48 H48 F12 N12 O4 -","4","2","","Leonard, Matthew J.; Lingham, Anthony R.; Niere, Julie O.; Jackson, Neale R. C.; McKay, Peter G.; Hügel, Helmut M.","Alternative synthesis of the anti-baldness compound RU58841","RSC Adv.","2014","4","27","14143","","10.1039/C4RA00332B","","","0.71073","MoKα","","0.0473","0.0389","","","0.104","0.1081","","","","","","1.085","","","","has coordinates","233059","2020-10-21","18:00:00",""
"7235470","5.6717","0.0003","22.0719","0.0012","10.2761","0.0006","90","","103.28","0.001","90","","1252.02","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br F3 N2 O -","- C12 H10 Br F3 N2 O -","- C48 H40 Br4 F12 N8 O4 -","4","1","","Leonard, Matthew J.; Lingham, Anthony R.; Niere, Julie O.; Jackson, Neale R. C.; McKay, Peter G.; Hügel, Helmut M.","Alternative synthesis of the anti-baldness compound RU58841","RSC Adv.","2014","4","27","14143","","10.1039/C4RA00332B","","","0.71073","MoKα","","0.0492","0.0332","","","0.0752","0.0789","","","","","","1.055","","","","has coordinates","233059","2020-10-21","18:00:00",""
"7235471","13.373","0.004","11.959","0.004","11.21","0.003","90","","106.965","0.005","90","","1714.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 F3 N4 O4 -","- C15 H17 F3 N4 O4 -","- C60 H68 F12 N16 O16 -","4","1","","Leonard, Matthew J.; Lingham, Anthony R.; Niere, Julie O.; Jackson, Neale R. C.; McKay, Peter G.; Hügel, Helmut M.","Alternative synthesis of the anti-baldness compound RU58841","RSC Adv.","2014","4","27","14143","","10.1039/C4RA00332B","","","0.71073","MoKα","","0.0584","0.042","","","0.0984","0.1086","","","","","","1.036","","","","has coordinates","233059","2020-10-21","18:00:00",""
"7235472","24.513","0.002","42.263","0.004","4.1537","0.0003","90","","90","","90","","4303.2","0.6","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H8 N2 O3 Se -","- C10 H8 N2 O3 Se -","- C160 H128 N32 O48 Se16 -","16","1","","Balkrishna, Shah Jaimin; Hodage, Ananda S.; Kumar, Shailesh; Panini, Piyush; Kumar, Sangit","Sensitive and regenerable organochalcogen probes for the colorimetric detection of thiols","RSC Adv.","2014","4","23","11535","","10.1039/C4RA00381K","","","0.71073","MoKα","","0.0513","0.0325","","","0.0555","0.0594","","","","","","1.065","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7235473","4.3357","0.0003","21.5407","0.0016","11.2435","0.0009","90","","99.669","0.002","90","","1035.16","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O3 S -","- C10 H8 N2 O3 S -","- C40 H32 N8 O12 S4 -","4","1","","Balkrishna, Shah Jaimin; Hodage, Ananda S.; Kumar, Shailesh; Panini, Piyush; Kumar, Sangit","Sensitive and regenerable organochalcogen probes for the colorimetric detection of thiols","RSC Adv.","2014","4","23","11535","","10.1039/C4RA00381K","","","0.71073","MoKα","","0.0404","0.0326","","","0.0876","0.0935","","","","","","1.106","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7235474","6.5803","0.0006","6.6436","0.0006","32.419","0.003","90","","90","","90","","1417.3","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N2 O3 Se -","- C15 H12 N2 O3 Se -","- C60 H48 N8 O12 Se4 -","4","1","","Balkrishna, Shah Jaimin; Hodage, Ananda S.; Kumar, Shailesh; Panini, Piyush; Kumar, Sangit","Sensitive and regenerable organochalcogen probes for the colorimetric detection of thiols","RSC Adv.","2014","4","23","11535","","10.1039/C4RA00381K","","","0.71073","MoKα","","0.0534","0.037","","","0.076","0.0802","","","","","","1.062","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7235475","25.121","0.003","8.1738","0.0011","12.8146","0.0017","90","","90","","90","","2631.3","0.6","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H10 N2 O3 Se -","- C14 H10 N2 O3 Se -","- C112 H80 N16 O24 Se8 -","8","1","","Balkrishna, Shah Jaimin; Hodage, Ananda S.; Kumar, Shailesh; Panini, Piyush; Kumar, Sangit","Sensitive and regenerable organochalcogen probes for the colorimetric detection of thiols","RSC Adv.","2014","4","23","11535","","10.1039/C4RA00381K","","","0.71073","MoKα","","0.0797","0.0694","","","0.1959","0.2041","","","","","","1.058","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7235476","15.4268","0.0018","9.5663","0.0011","11.1965","0.0013","90","","105.977","0.001","90","","1588.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 N O -","- C16 H27 N O -","- C64 H108 N4 O4 -","4","1","","Kodama, Koichi; Hayashi, Naoki; Fujita, Mikidai; Hirose, Takuji","Direct enantioseparation of 1-(2-hydroxyphenyl) ethylamines via diastereomeric salt formation: chiral recognition mechanism based on the crystal structure","RSC Advances","2014","4","49","25609","","10.1039/c4ra00414k","","","0.71073","MoKα","","0.0828","0.0755","","","0.2066","0.2147","","","","","","1.065","","","","has coordinates","233063","2020-10-21","18:00:00",""
"7235477","23.818","0.008","5.5862","0.0018","15.671","0.005","90","","113.803","0.004","90","","1907.7","1.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H26 N O4.5 -","- C22 H26 N O4.5 -","- C88 H104 N4 O18 -","4","1","","Kodama, Koichi; Hayashi, Naoki; Fujita, Mikidai; Hirose, Takuji","Direct enantioseparation of 1-(2-hydroxyphenyl) ethylamines via diastereomeric salt formation: chiral recognition mechanism based on the crystal structure","RSC Advances","2014","4","49","25609","","10.1039/c4ra00414k","","","0.71073","MoKα","","0.0655","0.059","","","0.1577","0.1646","","","","","","1.072","","","","has coordinates","233063","2020-10-21","18:00:00",""
"7235478","16.749","0.004","8.124","0.002","17.552","0.004","90","","116.504","0.003","90","","2137.3","0.9","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H34 N2 O4 -","- C21 H33.5 N2 O4 -","- C84 H134 N8 O16 -","4","2","","Kodama, Koichi; Hayashi, Naoki; Fujita, Mikidai; Hirose, Takuji","Direct enantioseparation of 1-(2-hydroxyphenyl) ethylamines via diastereomeric salt formation: chiral recognition mechanism based on the crystal structure","RSC Advances","2014","4","49","25609","","10.1039/c4ra00414k","","","0.71073","MoKα","","0.1133","0.0814","","","0.2084","0.2435","","","","","","1.078","","","","has coordinates,has disorder","233063","2020-10-21","18:00:00",""
"7235479","29.287","0.005","7.6383","0.0012","18.538","0.004","90","","126.49","0.004","90","","3334","1.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C34 H41 N O9 -","- C34 H41 N O9 -","- C136 H164 N4 O36 -","4","1","","Kodama, Koichi; Hayashi, Naoki; Fujita, Mikidai; Hirose, Takuji","Direct enantioseparation of 1-(2-hydroxyphenyl) ethylamines via diastereomeric salt formation: chiral recognition mechanism based on the crystal structure","RSC Advances","2014","4","49","25609","","10.1039/c4ra00414k","","","0.71073","MoKα","","0.0622","0.0495","","","0.1021","0.1075","","","","","","0.927","","","","has coordinates","233063","2020-10-21","18:00:00",""
"7235480","14.3664","0.0006","14.1501","0.0006","17.8928","0.0008","90","","112.334","0.005","90","","3364.5","0.3","293.1","0.7","293.1","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17.25 Br N O3 -","- C20 H16 Br N O3 -","- C160 H128 Br8 N8 O24 -","8","2","","Yang, Jidong; Zhang, Qingzhao; Zhang, Wei; Yu, Wei","Synthesis of benzo[a]carbazoles and indolo[2,3-a]carbazoles via photoinduced carbene-mediated C‒H insertion reaction","RSC Adv.","2014","4","26","13704","","10.1039/C4RA00442F","","","0.7107","MoKα","","0.1232","0.0496","","","0.0756","0.0989","","","","","","0.977","","","","has coordinates","233065","2020-10-21","18:00:00",""
"7235481","16.904","0.002","9.0287","0.0012","24.322","0.003","90","","100.205","0.013","90","","3653.3","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","4","","Yang, Jidong; Zhang, Qingzhao; Zhang, Wei; Yu, Wei","Synthesis of benzo[a]carbazoles and indolo[2,3-a]carbazoles via photoinduced carbene-mediated C‒H insertion reaction","RSC Adv.","2014","4","26","13704","","10.1039/C4RA00442F","","","0.71073","MoKα","","0.24","0.1157","","","0.2734","0.3699","","","","","","0.947","","","","has coordinates","233065","2020-10-21","18:00:00",""
"7235482","6.6951","0.0009","7.9252","0.0011","29.888","0.004","90","","90","","90","","1585.9","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O S -","- C16 H18 Cl N O S -","- C64 H72 Cl4 N4 O4 S4 -","4","1","","Li, Desheng; Li, Ya; Chen, Zhiqiu; Shang, Huaqi; Li, Hongsen; Ren, Xinfeng","Stereoselective synthesis of α-(dichloromethyl)-amines, α-(chloromethyl)amines, and α-chloro-aziridines","RSC Advances","2014","4","27","14254","","10.1039/c4ra00471j","","","0.71073","MoKα","","0.0306","0.0284","","","0.0704","0.0719","","","","","","1.048","","","","has coordinates","233066","2020-10-21","18:00:00",""
"7235483","11.9005","0.0014","14.5727","0.0017","14.6539","0.0015","106.597","0.009","100.356","0.009","108.204","0.01","2210.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Diazaspiro","diazaspiro","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C100 H104 N8 O16 -","4","2","","Aggarwal, Komal; Vij, Kanika; Khurana, Jitender M.","An efficient catalyst free synthesis of nitrogen containing spiro heterocycles via [5 + 1] double Michael addition reaction","RSC Advances","2014","4","26","13313","","10.1039/c4ra00521j","","","0.71073","MoKα","","0.0952","0.0557","","","0.1253","0.1454","","","","","","0.997","","","","has coordinates","233067","2020-10-21","18:00:00",""
"7235484","9.691","0.002","14.157","0.004","16.055","0.004","107.408","0.004","99.937","0.003","104.264","0.003","1963.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H80 N18 O21 S2 Zn3 -","- C64 H78 N18 O21 S2 Zn3 -","- C64 H78 N18 O21 S2 Zn3 -","1","0.5","","Li, Min; Peng, Yan-Fen; Zhao, Shan; Li, Bao-Long; Li, Hai-Yan","Syntheses, structures and properties of two zinc coordination polymers based on bis(triazole) and sulfoisophthalate","RSC Advances","2014","4","27","14241","","10.1039/c4ra00531g","","","0.7107","MoKα","","0.0759","0.0624","","","0.1736","0.1837","","","","","","1.098","","","","has coordinates","233069","2020-10-21","18:00:00",""
"7235485","9.8033","0.0017","12.462","0.002","13.8706","0.0014","65.881","0.014","74.327","0.016","86.14","0.02","1487.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 N12 O20 S2 Zn3 -","- C48 H54 N12 O20 S2 Zn3 -","- C48 H54 N12 O20 S2 Zn3 -","1","0.5","","Li, Min; Peng, Yan-Fen; Zhao, Shan; Li, Bao-Long; Li, Hai-Yan","Syntheses, structures and properties of two zinc coordination polymers based on bis(triazole) and sulfoisophthalate","RSC Advances","2014","4","27","14241","","10.1039/c4ra00531g","","","0.7107","MoKα","","0.1028","0.0679","","","0.1499","0.1701","","","","","","1.054","","","","has coordinates","233069","2020-10-21","18:00:00",""
"7235486","21.656","0.006","8.05","0.005","21.087","0.008","90","","117.959","0.008","90","","3247","3","293","","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C33 H38 Al N3 O7 -","- C33 H38 Al N3 O7 -","- C132 H152 Al4 N12 O28 -","4","1","","Simond, Damien; Clifford, Sarah E.; Vieira, Andreia F.; Besnard, Céline; Williams, Alan F.","An octahedral aluminium(iii) complex as a three-fold node for supramolecular heterometallic self-assemblies: solution and solid state chemistry","RSC Adv.","2014","4","32","16686","","10.1039/C4RA00575A","","","0.71073","MoKα","","0.0575","0.0469","","","0.1132","0.1214","","","","","","1.067","","","","has coordinates","233070","2020-10-21","18:00:00",""
"7235487","11.5825","0.0009","11.617","0.0007","16.3471","0.0013","76.488","0.007","75.077","0.007","81.263","0.006","2056.7","0.3","180","","180","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H38 Al Co N5 O7 S2 -","- C35 H38 Al Co N5 O7 S2 -","- C70 H76 Al2 Co2 N10 O14 S4 -","2","1","","Simond, Damien; Clifford, Sarah E.; Vieira, Andreia F.; Besnard, Céline; Williams, Alan F.","An octahedral aluminium(iii) complex as a three-fold node for supramolecular heterometallic self-assemblies: solution and solid state chemistry","RSC Adv.","2014","4","32","16686","","10.1039/C4RA00575A","","","1.5418","CuKα","","0.1233","0.0809","","","0.2123","0.2582","","","","","","1.033","","","","has coordinates","233070","2020-10-21","18:00:00",""
"7235488","6.65","0.003","8.898","0.004","13.97","0.006","92.24","0.02","98.98","0.02","111.168","0.019","757.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C32 H36 N4 O12 -","2","1","","Seijas, Julio A.; Crecente-Campo, José; Feás, Xesús; Vázquez-Tato, M. Pilar","Microwave assisted synthesis, crystal structure and modelling of cytotoxic dehydroacetic acid enamine: a natural alkaloid from Fusarium incarnatum (HKI0504)","RSC Adv.","2014","4","33","17054","","10.1039/C4RA00582A","","","0.71069","MoKα","","0.1713","0.0706","","","0.1431","0.1889","","","","","","0.997","","","","has coordinates","233072","2020-10-21","18:00:00",""
"7235489","15.095","0.003","5.7769","0.001","31.466","0.005","90","","90","","90","","2743.9","0.8","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H10 Br N S2 -","- C14 H10 Br N S2 -","- C112 H80 Br8 N8 S16 -","8","1","","Lin, Yuqing; Luo, Puying; Zheng, Qiang; Liu, Yumei; Sang, Xiaoyan; Ding, Qiuping","Efficient construction of C‒S and C‒N bonds via metal-free reductive coupling of N-tosylhydrazones with benzo[d]thiazole-2-thiol","RSC Adv.","2014","4","32","16855","","10.1039/C4RA00590B","","","0.71073","MoKα","","0.0978","0.0894","","","0.1886","0.1916","","","","","","1.059","","","","has coordinates","233073","2020-10-21","18:00:00",""
"7235490","7.698","0.003","8.149","0.004","23.607","0.01","90","","92.03","0.008","90","","1480","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F N O S2 -","- C16 H14 F N O S2 -","- C64 H56 F4 N4 O4 S8 -","4","1","","Lin, Yuqing; Luo, Puying; Zheng, Qiang; Liu, Yumei; Sang, Xiaoyan; Ding, Qiuping","Efficient construction of C‒S and C‒N bonds via metal-free reductive coupling of N-tosylhydrazones with benzo[d]thiazole-2-thiol","RSC Adv.","2014","4","32","16855","","10.1039/C4RA00590B","","","0.71073","MoKα","","0.1202","0.114","","","0.2717","0.2753","","","","","","1.092","","","","has coordinates","233073","2020-10-21","18:00:00",""
"7235491","9.6004","0.0009","10.577","0.001","14.3427","0.0014","82.418","0.002","81.231","0.002","80.012","0.002","1409.2","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Cl3 N6 Ni O2 -","- C31 H21 Cl3 N6 Ni O2 -","- C62 H42 Cl6 N12 Ni2 O4 -","2","1","","Goswami, Shyamaprosad; Chakraborty, Shampa; Das, Avijit Kumar; Manna, Abhishek; Bhattacharyya, Aditya; Quah, Ching Kheng; Fun, Hoong-Kun","Selective colorimetric and ratiometric probe for Ni(ii) in quinoxaline matrix with the single crystal X-ray structure","RSC Adv.","2014","4","40","20922","","10.1039/C4RA00594E","","","0.71073","MoKα","","0.0822","0.0756","","","0.1898","0.1973","","","","","","1.138","","","","has coordinates","233075","2020-10-21","18:00:00",""
"7235492","10.4843","0.0002","12.9226","0.0003","14.6707","0.0004","101.953","0.001","99.7473","0.001","99.329","0.001","1875.98","0.08","150","","150","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C37 H44 N6 O8 -","- C37 H44 N6 O8 -","- C74 H88 N12 O16 -","2","1","","White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.","Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition","RSC Advances","2014","4","24","12133","","10.1039/C4RA00615A","","","0.71073","MoKα","","0.0744","0.0621","","0.1922","0.1706","0.1889","","","","","","0.9917","","","","has coordinates,has disorder","233076","2020-10-21","18:00:00",""
"7235493","9.7515","0.0002","65.1244","0.0016","10.1151","0.0003","90","","90","","90","","6423.7","0.3","150","","150","","","","","","","","synthesized","4","P n a 21","P 2c -2n","33","","","","- C62 H80 N12 O14 -","- C62 H80 N12 O14 -","- C248 H320 N48 O56 -","4","1","","White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.","Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition","RSC Advances","2014","4","24","12133","","10.1039/C4RA00615A","","","0.68889","synchrotron","","0.0799","0.0716","","0.1911","0.1855","0.1911","","","","","","0.9502","","","","has coordinates","233076","2020-10-21","18:00:00",""
"7235494","31.547","0.003","8.7265","0.0007","32.508","0.004","90","","106.017","0.013","90","","8601.9","1.6","150","","150","","","","","","","","synthesized","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H45.5 B2 F8 N6.5 O7 -","- C37 H45.5 B2 F8 N6.5 O7 -","- C296 H364 B16 F64 N52 O56 -","8","1","","White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.","Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition","RSC Advances","2014","4","24","12133","","10.1039/C4RA00615A","","","1.5418","CuKα","","0.1135","0.066","","0.1834","0.1457","0.1834","","","","","","0.8725","","","","has coordinates,has disorder","233076","2020-10-21","18:00:00",""
"7235495","32.984","0.003","7.9218","0.0009","31.212","0.003","90","","102.499","0.01","90","","7962.2","1.4","150","","150","","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cl2 N6 O7 -","- C36 H44 Cl2 N6 O7 -","- C288 H352 Cl16 N48 O56 -","8","1","","White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.","Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition","RSC Advances","2014","4","24","12133","","10.1039/C4RA00615A","","","1.54184","CuKα","","0.1278","0.0736","","0.222","0.1758","0.222","","","","","","0.9649","","","","has coordinates","233076","2020-10-21","18:00:00",""
"7235496","31.693","0.015","8.641","0.004","32.276","0.015","90","","105.48","0.005","90","","8518","7","150","","150","","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H48.5 I2 N7.5 O7 -","- C39 H48.5 I2 N7.5 O7 -","- C312 H388 I16 N60 O56 -","8","1","","White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.","Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition","RSC Advances","2014","4","24","12133","","10.1039/C4RA00615A","","","0.68889","synchrotron","","0.0903","0.083","","0.1785","0.176","0.1785","","","","","","0.9071","","","","has coordinates","233076","2020-10-21","18:00:00",""
"7235497","9.297","0.01","12.385","0.011","18.544","0.016","71.43","0.03","83.52","0.03","83.86","0.04","2005","3","150","","150","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C37 H47.5 N12.5 O8 -","- C37 H47.5 N12.5 O8 -","- C74 H95 N25 O16 -","2","1","","White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.","Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition","RSC Advances","2014","4","24","12133","","10.1039/C4RA00615A","","","0.6889","synchrotron","","0.1618","0.1101","","0.2467","0.2158","0.2467","","","","","","0.9231","","","","has coordinates,has disorder","233076","2020-10-21","18:00:00",""
"7235498","10.3622","0.0005","13.2701","0.0007","14.1184","0.0008","103.541","0.003","97.069","0.003","103.083","0.002","1806.37","0.17","150","","150","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C34 H38 Cl3 N7 O7 -","- C34 H38 Cl3 N7 O7 -","- C68 H76 Cl6 N14 O14 -","2","1","","White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.","Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition","RSC Advances","2014","4","24","12133","","10.1039/C4RA00615A","","","0.71073","MoKα","","0.1332","0.0808","","0.2184","0.1773","0.2162","","","","","","0.9907","","","","has coordinates","233076","2020-10-21","18:00:00",""
"7235499","6.747","0.002","9.047","0.003","16.973","0.005","90","","90","","90","","1036","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H3 Cu N5 O6 -","- C7 H3 Cu N5 O6 -","- C28 H12 Cu4 N20 O24 -","4","1","","Liu, Xiangyu; Yang, Qi; Su, Zhiyong; Chen, Sanping; Xie, Gang; Wei, Qing; Gao, Shengli","3D high-energy-density and low sensitivity materials: synthesis, structure and physicochemical properties of an azide‒Cu(ii) complex with 3,5-dinitrobenzoic acid","RSC Adv.","2014","4","31","16087","","10.1039/C4RA00635F","","","0.71073","MoKα","","0.0777","0.0537","","","0.127","0.1408","","","","","","1","","","","has coordinates","233079","2020-10-21","18:00:00",""
"7235500","8.2815","0.0002","8.4808","0.0002","13.3432","0.0003","104.835","0.001","95.406","0.001","114.038","0.001","806.16","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C34 H36 O12 -","2","1","","Sangsuwan, Rapeepat; Sangher, Sasithorn; Aree, Thammarat; Mahidol, Chulabhorn; Ruchirawat, Somsak; Kittakoop, Prasat","An organocatalyst from renewable materials for the synthesis of coumarins and chromenes: three-component reaction and multigram scale synthesis","RSC Adv.","2014","4","26","13708","","10.1039/C4RA00673A","","","0.71073","MoKα","","0.0698","0.0536","","","0.1568","0.1709","","","","","","1.036","","","","has coordinates","233082","2020-10-21","18:00:00",""
"7235501","9.0528","0.0004","9.111","0.0004","11.997","0.0005","80.134","0.002","68.141","0.002","72.313","0.002","873.06","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O7 -","- C18 H20 O7 -","- C36 H40 O14 -","2","1","","Sangsuwan, Rapeepat; Sangher, Sasithorn; Aree, Thammarat; Mahidol, Chulabhorn; Ruchirawat, Somsak; Kittakoop, Prasat","An organocatalyst from renewable materials for the synthesis of coumarins and chromenes: three-component reaction and multigram scale synthesis","RSC Adv.","2014","4","26","13708","","10.1039/C4RA00673A","","","0.71073","MoKα","","0.0746","0.054","","","0.1559","0.177","","","","","","1.048","","","","has coordinates","233082","2020-10-21","18:00:00",""
"7235502","8.5665","0.0003","9.1041","0.0003","12.5319","0.0004","77.751","0.002","74.492","0.002","66.84","0.002","859.55","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 Br O6 -","- C17 H17 Br O6 -","- C34 H34 Br2 O12 -","2","1","","Sangsuwan, Rapeepat; Sangher, Sasithorn; Aree, Thammarat; Mahidol, Chulabhorn; Ruchirawat, Somsak; Kittakoop, Prasat","An organocatalyst from renewable materials for the synthesis of coumarins and chromenes: three-component reaction and multigram scale synthesis","RSC Adv.","2014","4","26","13708","","10.1039/C4RA00673A","","","0.71073","MoKα","","0.0908","0.0433","","","0.1059","0.1233","","","","","","1.007","","","","has coordinates","233082","2020-10-21","18:00:00",""
"7235503","8.4753","0.0003","9.1065","0.0003","12.4545","0.0004","78.551","0.002","75.245","0.002","66.078","0.002","844.75","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C34 H34 Cl2 O12 -","2","1","","Sangsuwan, Rapeepat; Sangher, Sasithorn; Aree, Thammarat; Mahidol, Chulabhorn; Ruchirawat, Somsak; Kittakoop, Prasat","An organocatalyst from renewable materials for the synthesis of coumarins and chromenes: three-component reaction and multigram scale synthesis","RSC Adv.","2014","4","26","13708","","10.1039/C4RA00673A","","","0.71073","MoKα","","0.0761","0.0504","","","0.1389","0.1585","","","","","","1.04","","","","has coordinates","233082","2020-10-21","18:00:00",""
"7235504","8.52","0.0002","5.8727","0.0002","16.941","0.0005","90","","98.145","0.002","90","","839.1","0.04","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H19 N -","- C23 H19 N -","- C46 H38 N2 -","2","1","","Zhao, Qiang; Zhuo, Chun-Xiang; You, Shu-Li","Enantioselective synthesis of N-allylindoles via palladium-catalyzed allylic amination/oxidation of indolines","RSC Advances","2014","4","21","10875","","10.1039/c4ra00701h","","","1.54178","CuKα","","0.0367","0.035","","","0.0895","0.0907","","","","","","1.047","","","","has coordinates","233084","2020-10-21","18:00:00",""
"7235505","5.9635","0.0001","13.7471","0.0003","28.1129","0.0006","90","","90","","90","","2304.72","0.08","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O4 -","- C27 H32 O4 -","- C108 H128 O16 -","4","1","","Han, Mei-Ling; Shen, Yu; Leng, Ying; Zhang, Hua; Yue, Jian-Min","New rearranged limonoids from Walsura cochinchinensis","RSC Adv.","2014","4","37","19150","","10.1039/C4RA00708E","","","1.54178","CuKα","","0.042","0.0419","","","0.1162","0.1163","","","","","","1.086","","","","has coordinates","233086","2020-10-21","18:00:00",""
"7235506","8.2016","0.0005","10.1084","0.0006","13.3847","0.0008","90","","91.338","0.003","90","","1109.36","0.12","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H36 O4 -","- C27 H36 O4 -","- C54 H72 O8 -","2","1","","Han, Mei-Ling; Shen, Yu; Leng, Ying; Zhang, Hua; Yue, Jian-Min","New rearranged limonoids from Walsura cochinchinensis","RSC Adv.","2014","4","37","19150","","10.1039/C4RA00708E","","","1.54178","CuKα","","0.0725","0.0704","","","0.1858","0.1884","","","","","","1.069","","","","has coordinates","233086","2020-10-21","18:00:00",""
"7235507","15.7361","0.0003","16.6946","0.0004","20.2283","0.0007","90","","103.168","0.003","90","","5174.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H47 B2 F4 N6 O2 -","- C58 H47 B2 F4 N6 O2 -","- C232 H188 B8 F16 N24 O8 -","4","1","","Gotor, Raúl; Gaviña, Pablo; Ochando, Luis E.; Chulvi, Katherine; Lorente, Alejandro; Martínez-Máñez, Ramón; Costero, Ana M.","BODIPY dyes functionalized with 2-(2-dimethylaminophenyl)ethanol moieties as selective OFF‒ON fluorescent chemodosimeters for the nerve agent mimics DCNP and DFP","RSC Adv.","2014","4","31","15975","","10.1039/C4RA00710G","","","0.71073","MoKα","","0.133","0.1007","","","0.3103","0.3511","","","","","","1.256","","","","has coordinates,has disorder","233088","2020-10-21","18:00:00",""
"7235508","27.09","0.003","22.251","0.002","28.725","0.003","90","","114.718","0.004","90","","15728","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C133 H159.5 Cl5 N12.5 Ni11 O37.5 -","- C133 H157 Cl5 N12.5 Ni11 O37.5 -","- C532 H628 Cl20 N50 Ni44 O150 -","4","1","","Athanasopoulou, Angeliki A.; Raptopoulou, Catherine P.; Escuer, Albert; Stamatatos, Theocharis C.","Rare nuclearities in Ni(ii) cluster chemistry: a Ni11 cage from the first use of N-salicylidene-2-amino-5-chlorobenzoic acid in metal cluster chemistry","RSC Adv.","2014","4","25","12680","","10.1039/C4RA00738G","","","0.71073","MoKα","","0.0775","0.0594","","","0.124","0.1325","","","","","","1.087","","","","has coordinates","233090","2020-10-21","18:00:00",""
"7235509","4.475","0.0001","13.8149","0.0002","8.7194","0.0002","90","","94.575","0.002","90","","537.33","0.019","175","","175","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C8 H13 N2 O5 P -","- C8 H13 N2 O5 P -","- C16 H26 N4 O10 P2 -","2","1","","Midrier, Camille; Montel, Sonia; Braun, Ralf; Haaf, Klaus; Willms, Lothar; van der Lee, Arie; Volle, Jean-Noël; Pirat, Jean-Luc; Virieux, David","Fosmidomycin analogues with N-hydroxyimidazole and N-hydroxyimidazolone as a chelating unit","RSC Adv.","2014","4","45","23770","","10.1039/C4RA00757C","","","0.71073","MoKα","","0.0262","0.0238","","0.0379","0.0361","0.0379","","","","","","1.0405","","","","has coordinates","233092","2020-10-21","18:00:00",""
"7235510","6.6374","0.0003","24.5838","0.0015","7.9643","0.0004","90","","101.181","0.005","90","","1274.89","0.12","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 N2 O7 P -","- C9 H17 N2 O7 P -","- C36 H68 N8 O28 P4 -","4","1","","Midrier, Camille; Montel, Sonia; Braun, Ralf; Haaf, Klaus; Willms, Lothar; van der Lee, Arie; Volle, Jean-Noël; Pirat, Jean-Luc; Virieux, David","Fosmidomycin analogues with N-hydroxyimidazole and N-hydroxyimidazolone as a chelating unit","RSC Adv.","2014","4","45","23770","","10.1039/C4RA00757C","","","0.71073","MoKα","","0.113","0.0382","","0.0616","0.0377","0.0377","","","","","","1.079","","","","has coordinates","233092","2020-10-21","18:00:00",""
"7235511","7.8726","0.0002","10.7546","0.0003","14.0957","0.0005","90","","97.274","0.003","90","","1183.83","0.06","175","","175","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N2 O5 P -","- C10 H13 N2 O5 P -","- C40 H52 N8 O20 P4 -","4","1","","Midrier, Camille; Montel, Sonia; Braun, Ralf; Haaf, Klaus; Willms, Lothar; van der Lee, Arie; Volle, Jean-Noël; Pirat, Jean-Luc; Virieux, David","Fosmidomycin analogues with N-hydroxyimidazole and N-hydroxyimidazolone as a chelating unit","RSC Adv.","2014","4","45","23770","","10.1039/C4RA00757C","","","0.71073","MoKα","","0.0728","0.0358","","0.0486","0.036","0.036","","","","","","1.0692","","","","has coordinates","233092","2020-10-21","18:00:00",""
"7235512","8.2328","0.0002","12.2627","0.0002","21.8139","0.0004","90","","90","","90","","2202.25","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C100 H104 N8 O20 -","4","1","","Chiou, Wen-Hua; Chiang, Yu-Min","Synthesis of (−)-epibatidine","RSC Adv.","2014","4","22","11444","","10.1039/C4RA00770K","","x-ray","1.54178","CuKα","","0.0338","0.0315","","","0.0839","0.0855","","","","","","1.013","","","","has coordinates","233093","2020-10-21","18:00:00",""
"7235513","22.0224","0.0003","10.2959","0.0001","7.9117","0.0001","90","","98.26","0.001","90","","1775.29","0.04","153","2","153","2","","","","","","","","3","C 1 2 1","C 2y","5","Flickinflimbric acid","","","- C38 H58 O9 -","- C38 H58 O9 -","- C76 H116 O18 -","2","0.5","","Chen, Jin-Long; Zhao, Zhi-Min; Xue, Xue; Tang, Gui-Hua; Zhu, Long-Ping; Yang, De-Po; Jiang, Lin","Bioactive norditerpenoids from Flickingeria fimbriata","RSC Adv.","2014","4","28","14447","","10.1039/C4RA00835A","","","1.5418","CuKα","","0.0425","0.0398","","","0.1039","0.1072","","","","","","1.056","","","","has coordinates","233095","2020-10-21","18:00:00",""
"7235514","11.9418","0.0003","12.1022","0.0003","14.2821","0.0003","90","","90","","90","","2064.08","0.08","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Flickinflimbrolide-2,3-acetonide","","","- C22 H34 O5 -","- C22 H34 O5 -","- C88 H136 O20 -","4","1","","Chen, Jin-Long; Zhao, Zhi-Min; Xue, Xue; Tang, Gui-Hua; Zhu, Long-Ping; Yang, De-Po; Jiang, Lin","Bioactive norditerpenoids from Flickingeria fimbriata","RSC Adv.","2014","4","28","14447","","10.1039/C4RA00835A","","","1.54184","CuKα","","0.034","0.0324","","","0.0808","0.0825","","","","","","1.105","","","","has coordinates","233095","2020-10-21","18:00:00",""
"7235515","30.7135","0.0009","21.8661","0.0006","15.6061","0.0005","90","","100.943","0.003","90","","10290.2","0.5","133","2","133","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C96 H96 Cl8 Fe2 N8 O -","- C96 H96 Cl8 Fe2 N8 O -","- C384 H384 Cl32 Fe8 N32 O4 -","4","1","","Sham, Kiu-Chor; Yee, Chi-Chung; Pan, Yi; Lau, Kai-Chung; Yiu, Shek-Man; Kwong, Hoi-Lun","Acid-induced formation of hydrogen-bonded double helix based on chiral polyphenyl-bridged bis(2,2′-bipyridine) ligands","RSC Adv.","2014","4","28","14513","","10.1039/C4RA00849A","","","1.5418","CuKα","","0.0604","0.0514","","","0.1357","0.1416","","","","","","1.005","","","","has coordinates","233097","2020-10-21","18:00:00",""
"7235516","10.0224","0.0004","13.5194","0.0006","24.2193","0.0011","90","","90","","90","","3281.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 N4 O0.5 -","- C40 H38 N4 O0.5 -","- C160 H152 N16 O2 -","4","1","","Sham, Kiu-Chor; Yee, Chi-Chung; Pan, Yi; Lau, Kai-Chung; Yiu, Shek-Man; Kwong, Hoi-Lun","Acid-induced formation of hydrogen-bonded double helix based on chiral polyphenyl-bridged bis(2,2′-bipyridine) ligands","RSC Adv.","2014","4","28","14513","","10.1039/C4RA00849A","","","0.71073","MoKα","","0.0649","0.04","","","0.0804","0.0846","","","","","","0.989","","","","has coordinates","233097","2020-10-21","18:00:00",""
"7235517","11.4756","0.0003","17.6487","0.0005","26.0159","0.0007","90","","100.426","0.002","90","","5182","0.2","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H56 Cl5 Fe N4 O -","- C59 H56 Cl5 Fe N4 O -","- C236 H224 Cl20 Fe4 N16 O4 -","4","2","","Sham, Kiu-Chor; Yee, Chi-Chung; Pan, Yi; Lau, Kai-Chung; Yiu, Shek-Man; Kwong, Hoi-Lun","Acid-induced formation of hydrogen-bonded double helix based on chiral polyphenyl-bridged bis(2,2′-bipyridine) ligands","RSC Adv.","2014","4","28","14513","","10.1039/C4RA00849A","","","1.54184","CuKα","","0.0366","0.0347","","","0.0973","0.099","","","","","","1.062","","","","has coordinates","233097","2020-10-21","18:00:00",""
"7235518","15.6125","0.0002","18.21","0.0003","18.3284","0.0003","90","","101.789","0.014","90","","5100.9","0.3","115","","115","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C100.75 H123 N8 O17 -","- C100.75 H123 N8 O17 -","- C201.5 H246 N16 O34 -","2","1","","Jewula, Pawel; Chambron, Jean-Claude; Penouilh, Marie-José; Rousselin, Yoann; Meyer, Michel","A 4-tert-butylcalix[4]arene tetrahydroxamate podand based on the 1-oxypiperidine-2-one (1,2-PIPO−) chelate. Self-assembly into a supramolecular ionophore driven by coordination of tetravalent zirconium or hafnium(iv)","RSC Adv.","2014","4","43","22743","","10.1039/C4RA00977K","","x-ray","0.71073","MoKα","","0.0851","0.0715","","","0.1805","0.1978","","","","","","1.081","","","","has coordinates,has disorder","233099","2020-10-21","18:00:00",""
"7235519","19.304","0.003","16.87","0.0014","19.321","0.003","90","","107.1","0.02","90","","6013.9","1.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Ca4 N5 Na O36 -","- C28 H40 Ca4 N5 Na O36 -","- C112 H160 Ca16 N20 Na4 O144 -","4","1","","Gaur, Ruchi; Susmitha, Ambadipudi; Chary, K. V. R.; Mishra, Lallan","A water soluble calcium‒sodium based coordination polymer: selective release of calcium at specific binding sites on proteins","RSC Adv.","2014","4","46","24038","","10.1039/C4RA01005A","","","0.71073","MoKα","","0.1674","0.098","","","0.2245","0.2672","","","","","","0.894","","","","has coordinates","233101","2020-10-21","18:00:00",""
"7235520","8.4767","0.0008","8.896","0.0008","15.3032","0.0014","75.243","0.005","84.666","0.005","65.095","0.005","1012.02","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N2 O6 S -","- C19 H22 N2 O6 S -","- C38 H44 N4 O12 S2 -","2","1","","Singhamahapatra, Anadi; Sahoo, Laxminarayan; Varghese, Babu; Loganathan, Duraikkannu","Synthesis of glycopeptoid sulfonamides diversifying N-glycopeptide linkage region mimics","RSC Advances","2014","4","35","18038","","10.1039/c4ra01009d","","","0.71073","MoKα","","0.0774","0.0543","","","0.1451","0.1659","","","","","","1.039","","","","has coordinates","233102","2020-10-21","18:00:00",""
"7235521","19.9851","0.0013","13.9008","0.0008","8.3536","0.0005","90","","113.968","0.003","90","","2120.6","0.2","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H24 N2 O6 S -","- C20 H24 N2 O6 S -","- C80 H96 N8 O24 S4 -","4","1","","Singhamahapatra, Anadi; Sahoo, Laxminarayan; Varghese, Babu; Loganathan, Duraikkannu","Synthesis of glycopeptoid sulfonamides diversifying N-glycopeptide linkage region mimics","RSC Advances","2014","4","35","18038","","10.1039/c4ra01009d","","","0.71073","MoKα","","0.0355","0.0292","","","0.0657","0.0693","","","","","","1.03","","","","has coordinates","233102","2020-10-21","18:00:00",""
"7235522","6.5378","0.0001","12.7943","0.0003","17.9426","0.0004","90","","90","","90","","1500.84","0.05","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 S -","- C14 H17 N O4 S -","- C56 H68 N4 O16 S4 -","4","1","","Singhamahapatra, Anadi; Sahoo, Laxminarayan; Varghese, Babu; Loganathan, Duraikkannu","Synthesis of glycopeptoid sulfonamides diversifying N-glycopeptide linkage region mimics","RSC Advances","2014","4","35","18038","","10.1039/c4ra01009d","","","0.71073","MoKα","","0.029","0.0266","","","0.0745","0.0775","","","","","","1.064","","","","has coordinates","233102","2020-10-21","18:00:00",""
"7235523","6.5396","0.0002","12.8007","0.0006","17.9487","0.0009","90","","90","","90","","1502.51","0.11","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 S -","- C14 H17 N O4 S -","- C56 H68 N4 O16 S4 -","4","1","","Singhamahapatra, Anadi; Sahoo, Laxminarayan; Varghese, Babu; Loganathan, Duraikkannu","Synthesis of glycopeptoid sulfonamides diversifying N-glycopeptide linkage region mimics","RSC Advances","2014","4","35","18038","","10.1039/c4ra01009d","","","0.71073","MoKα","","0.031","0.0275","","","0.076","0.0797","","","","","","1.077","","","","has coordinates","233102","2020-10-21","18:00:00",""
"7235524","9.1171","0.0013","9.6587","0.0018","11.5594","0.0018","98.125","0.013","103.944","0.01","117.147","0.008","841.1","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F3 N O4 S -","- C18 H14 F3 N O4 S -","- C36 H28 F6 N2 O8 S2 -","2","1","","Parveen, Shagufta; Hussain, Saghir; Zhu, Shaojuan; Qin, Xiangyu; Hao, Xin; Zhang, Shuzhen; Lu, Jianglu; Zhu, Changjin","Selective synthesis and comparative activity of olefinic isomers of 1,2-benzothiazine-1,1-dioxide carboxylates as aldose reductase inhibitors","RSC Advances","2014","4","40","21134","","10.1039/c4ra01016g","","","0.71073","MoKα","","0.0472","0.0383","","","0.1007","0.1063","","","","","","1.004","","","","has coordinates","233104","2020-10-21","18:00:00",""
"7235525","18.947","0.005","8.529","0.002","22.067","0.006","90","","110.8","0.003","90","","3333.6","1.5","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 F3 N O4 S -","- C18 H14 F3 N O4 S -","- C144 H112 F24 N8 O32 S8 -","8","1","","Parveen, Shagufta; Hussain, Saghir; Zhu, Shaojuan; Qin, Xiangyu; Hao, Xin; Zhang, Shuzhen; Lu, Jianglu; Zhu, Changjin","Selective synthesis and comparative activity of olefinic isomers of 1,2-benzothiazine-1,1-dioxide carboxylates as aldose reductase inhibitors","RSC Advances","2014","4","40","21134","","10.1039/c4ra01016g","","","0.71073","MoKα","","0.0485","0.0425","","","0.1141","0.1201","","","","","","1","","","","has coordinates","233104","2020-10-21","18:00:00",""
"7235526","8.811","0.0008","20.948","0.0013","10.5926","0.0007","90","","90.386","0.007","90","","1955.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O -","- C28 H24 O -","- C112 H96 O4 -","4","1","","Kotikalapudi, Ramesh; Siva Kumari, A. Leela; Swamy, K. C. Kumara","NHC‒gold(i) catalysed [4 + 2] cycloaddition‒acyclic addition of dialkyl substituted propargylic esters with 1,3-diphenylisobenzofuran: synthesis of novel benzo[c]fluorenols and substituted dienes","RSC Adv.","2014","4","34","17717","","10.1039/C4RA01105H","","","0.71073","MoKα","","0.1186","0.0616","","","0.1025","0.1257","","","","","","0.98","","","","has coordinates","233105","2020-10-21","18:00:00",""
"7235527","10.5694","0.0014","16.183","0.004","16.088","0.004","90","","91.002","0.016","90","","2751.3","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 O4 -","- C37 H28 O4 -","- C148 H112 O16 -","4","1","","Kotikalapudi, Ramesh; Siva Kumari, A. Leela; Swamy, K. C. Kumara","NHC‒gold(i) catalysed [4 + 2] cycloaddition‒acyclic addition of dialkyl substituted propargylic esters with 1,3-diphenylisobenzofuran: synthesis of novel benzo[c]fluorenols and substituted dienes","RSC Adv.","2014","4","34","17717","","10.1039/C4RA01105H","","","0.71073","MoKα","","0.1085","0.0508","","","0.0748","0.092","","","","","","0.931","","","","has coordinates","233105","2020-10-21","18:00:00",""
"7235528","10.8039","0.0004","13.3968","0.0005","15.0329","0.0002","100.649","0.002","107.248","0.002","111.484","0.001","1825.19","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H41 N2 O7 Rh Ru -","- C42 H40 N2 O7 Rh Ru -","- C84 H80 N4 O14 Rh2 Ru2 -","2","1","","Damas, Aurelie; Sesolis, Hugo; Rager, Marie Noelle; Chamoreau, Lise Marie; Gullo, Maria Pia; Barbieri, Andrea; Amouri, Hani","Ester-substituted cyclometallated rhodium and iridium coordination assemblies with π-bonded dioxolene ligand: synthesis, structures and luminescent properties","RSC Adv.","2014","4","45","23740","","10.1039/C4RA01185F","","","0.71073","MoKα","","0.0487","0.0343","","","0.0849","0.0958","","","","","","1.049","","","","has coordinates","233107","2020-10-21","18:00:00",""
"7235529","22.2991","0.0014","24.5147","0.0015","18.4529","0.0012","90","","122.944","0.003","90","","8465.4","1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H45 Ir N2 O9 Ru -","- C42 H39 Ir N2 O9 Ru -","- C336 H312 Ir8 N16 O72 Ru8 -","8","1","","Damas, Aurelie; Sesolis, Hugo; Rager, Marie Noelle; Chamoreau, Lise Marie; Gullo, Maria Pia; Barbieri, Andrea; Amouri, Hani","Ester-substituted cyclometallated rhodium and iridium coordination assemblies with π-bonded dioxolene ligand: synthesis, structures and luminescent properties","RSC Adv.","2014","4","45","23740","","10.1039/C4RA01185F","","","0.71073","MoKα","","0.0938","0.0581","","","0.1483","0.1884","","","","","","1.095","","","","has coordinates","233107","2020-10-21","18:00:00",""
"7235530","11.9031","0.0009","9.4411","0.0005","19.8615","0.0015","90","","94.702","0.002","90","","2224.5","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl N O12 -","- C18 H24 Cl N O12 -","- C72 H96 Cl4 N4 O48 -","4","2","","Sahoo, Laxminarayan; Singhamahapatra, Anadi; Ramkumar, Vankatachalam; Loganathan, Duraikkannu","Regioselective opening of unsymmetrical cyclic anhydrides: synthesis of N-glycosylated isoasparagine and isoglutamine conjugates","RSC Advances","2014","4","42","22042","","10.1039/c4ra01234h","","","0.71073","MoKα","","0.0813","0.0524","","","0.1062","0.1198","","","","","","1.01","","","","has coordinates","233109","2020-10-21","18:00:00",""
"7235531","10.3349","0.0004","11.8962","0.0004","20.2894","0.0008","90","","90","","90","","2494.5","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N O9 Zn2 -","- C12 H11 N O9 Zn2 -","- C48 H44 N4 O36 Zn8 -","4","1","","Lili, Liu; Xin, Zhang; Shumin, Rang; Ying, Yang; Xiaoping, Dai; Jinsen, Gao; Chunming, Xu; Jing, He","Catalysis by metal‒organic frameworks: proline and gold functionalized MOFs for the aldol and three-component coupling reactions","RSC Adv.","2014","4","25","13093","","10.1039/C4RA01269K","","","0.71073","MoKα","","0.067","0.0527","","","0.1788","0.1908","","","","","","1.08","","","","has coordinates","233111","2020-10-21","18:00:00",""
"7235532","9.7827","0.0008","10.0303","0.0004","10.3019","0.0004","110.382","0.002","101.227","0.002","102.845","0.002","881.95","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Ray, Suman; Bhaumik, Asim; Pramanik, Malay; Mukhopadhyay, Chhanda","Covalently anchored carboxylic acid on uniform spherical silica nanoparticles with narrow slit like mesopores for the synthesis of pyrroloacridinones: CuI-catalyzed further C(sp3)‒H oxyfunctionalization for CO formation","RSC Advances","2014","4","30","15441","","10.1039/c4ra01287a","","","0.71073","MoKα","","0.0509","0.0446","","","0.1206","0.1285","","","","","","1.027","","","","has coordinates","233113","2020-10-21","18:00:00",""
"7235533","10.7669","0.0003","9.788","0.0003","17.8714","0.0006","90","","107.392","0.001","90","","1797.3","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N3 O3 -","- C22 H17 N3 O3 -","- C88 H68 N12 O12 -","4","1","","Ray, Suman; Bhaumik, Asim; Pramanik, Malay; Mukhopadhyay, Chhanda","Covalently anchored carboxylic acid on uniform spherical silica nanoparticles with narrow slit like mesopores for the synthesis of pyrroloacridinones: CuI-catalyzed further C(sp3)‒H oxyfunctionalization for CO formation","RSC Advances","2014","4","30","15441","","10.1039/c4ra01287a","","","0.71073","MoKα","","0.0629","0.0444","","","0.1386","0.1667","","","","","","0.717","","","","has coordinates","233113","2020-10-21","18:00:00",""
"7235534","33.052","0.006","7.1765","0.0013","28.014","0.005","90","","99.224","0.004","90","","6559","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C352 H256 N32 O16 -","16","2","","Ray, Suman; Bhaumik, Asim; Pramanik, Malay; Mukhopadhyay, Chhanda","Covalently anchored carboxylic acid on uniform spherical silica nanoparticles with narrow slit like mesopores for the synthesis of pyrroloacridinones: CuI-catalyzed further C(sp3)‒H oxyfunctionalization for CO formation","RSC Advances","2014","4","30","15441","","10.1039/c4ra01287a","","","0.71073","MoKα","","0.104","0.0572","","","0.1509","0.1802","","","","","","1.033","","","","has coordinates","233113","2020-10-21","18:00:00",""
"7235535","6.0809","0.0004","13.7871","0.0008","21.3972","0.0013","90","","94.743","0.002","90","","1787.75","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C92 H72 N8 O8 -","4","1","","Ray, Suman; Bhaumik, Asim; Pramanik, Malay; Mukhopadhyay, Chhanda","Covalently anchored carboxylic acid on uniform spherical silica nanoparticles with narrow slit like mesopores for the synthesis of pyrroloacridinones: CuI-catalyzed further C(sp3)‒H oxyfunctionalization for CO formation","RSC Advances","2014","4","30","15441","","10.1039/c4ra01287a","","","0.71073","MoKα","","0.0604","0.041","","","0.106","0.1205","","","","","","1.028","","","","has coordinates","233113","2020-10-21","18:00:00",""
"7235536","9.112","0.0007","10.6244","0.0008","11.2803","0.0008","97.211","0.002","105.469","0.002","113.356","0.002","932.65","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 Br Cl N2 O2 -","- C22 H14 Br Cl N2 O2 -","- C44 H28 Br2 Cl2 N4 O4 -","2","1","","Ray, Suman; Bhaumik, Asim; Pramanik, Malay; Mukhopadhyay, Chhanda","Covalently anchored carboxylic acid on uniform spherical silica nanoparticles with narrow slit like mesopores for the synthesis of pyrroloacridinones: CuI-catalyzed further C(sp3)‒H oxyfunctionalization for CO formation","RSC Advances","2014","4","30","15441","","10.1039/c4ra01287a","","","0.71073","MoKα","","0.0644","0.0488","","","0.1336","0.1496","","","","","","0.996","","","","has coordinates","233113","2020-10-21","18:00:00",""
"7235537","8.0084","0.0005","11.0499","0.0007","11.0645","0.0007","70.326","0.005","80.844","0.005","71.336","0.006","872.03","0.1","99.2","0.2","99.9","0.2","","","","","","","","4","P -1","-P 1","2","pyranone carboxamide","N-(3-hydroxypropyl)-2-oxo-6-phenyl-4-(piperidin-1-yl)-2H-pyran-3-carboxamide","","- C20 H24 N2 O4 -","- C20.012 H22.648 N2 O4 -","- C40.024 H45.296 N4 O8 -","2","1","","Karampuri, Srinivas; Ojha, Durbadal; Bag, Paromita; Chakravarty, Harapriya; Bal, Chandralata; Chattopadhyay, Debprasad; Sharon, Ashoke","Anti-HSV activity and mode of action study of α-pyrone carboxamides","RSC Adv.","2014","4","33","17354","","10.1039/C4RA01303D","","","1.54184","CuKα","","0.0509","0.0438","","","0.1175","0.1243","","","","","","1.079","","","","has coordinates,has disorder","233114","2020-10-21","18:00:00",""
"7235538","12.2205","0.0008","30.1724","0.0015","13.0655","0.0007","90","","98.252","0.003","90","","4767.7","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H104 Mo10 N8 O26 S16 -","- C51 H106 Mo10 N8 O26 S16 -","- C102 H212 Mo20 N16 O52 S32 -","2","0.5","","Guo, Jin; Chen, Xiao; Yi, Yanjiao; Li, Wenzhen; Liang, Changhai","Layer-controlled synthesis of graphene-like MoS2 from single source organometallic precursor for Li-ion batteries","RSC Advances","2014","4","32","16716","","10.1039/c4ra01318b","","","0.71073","MoKα","","0.0589","0.0394","","","0.0968","0.1066","","","","","","0.958","","","","has coordinates,has disorder","233116","2020-10-21","18:00:00",""
"7235539","21.39","0.015","21.39","","12.812","0.013","90","","90","","120","","5077","6","100","2","100","2","","","","","","","","7","P 64","P 64","172","","","","- C26 H35 N8 O7.5 P2 Pd S2 -","- C26 H35 N8 O7.5 P2 Pd S2 -","- C156 H210 N48 O45 P12 Pd6 S12 -","6","1","","Kapdi, Anant; Gayakhe, Vijay; Sanghvi, Yogesh S.; García, Joaquín; Lozano, Pedro; da Silva, Ivan; Pérez, José; Serrano, J. Luis","New water soluble Pd-imidate complexes as highly efficient catalysts for the synthesis of C5-arylated pyrimidine nucleosides","RSC Adv.","2014","4","34","17567","","10.1039/C4RA01326C","","","0.71073","MoKα","","0.0617","0.046","","","0.1181","0.1293","","","","","","0.89","","","","has coordinates","233118","2020-10-21","18:00:00",""
"7235540","10.25413","0.00018","12.90075","0.00016","18.8342","0.0003","90","","100.995","0.0016","90","","2445.76","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1","","","- C8 H8 Ag Cl N4 O6 -","- C8 H8 Ag Cl N4 O6 -","- C64 H64 Ag8 Cl8 N32 O48 -","8","2","","Puttreddy, Rakesh; Cottam, Justine R. A.; Steel, Peter J.","Anion dependent silver(i) complexes of pyrazine mono-N-oxide","RSC Adv.","2014","4","43","22449","","10.1039/C4RA01336K","","","0.71073","MoKα","","0.0185","0.0172","","","0.0417","0.0423","","","","","","1.099","","","","has coordinates","233120","2020-10-21","18:00:00",""
"7235541","10.2884","0.0005","12.7097","0.0004","10.336","0.0004","90","","103.593","0.004","90","","1313.7","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2","","","- C8 H8 Ag F6 N4 O2 P -","- C8 H8 Ag F6 N4 O2 P -","- C32 H32 Ag4 F24 N16 O8 P4 -","4","1","","Puttreddy, Rakesh; Cottam, Justine R. A.; Steel, Peter J.","Anion dependent silver(i) complexes of pyrazine mono-N-oxide","RSC Adv.","2014","4","43","22449","","10.1039/C4RA01336K","","","0.71073","MoKα","","0.0209","0.0184","","","0.0442","0.0455","","","","","","1.075","","","","has coordinates,has disorder","233120","2020-10-21","18:00:00",""
"7235542","4.88685","0.00015","15.4949","0.0003","15.4356","0.0003","90","","97.643","0.002","90","","1158.42","0.05","120","2","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","3","","","- C8 H8 Ag B F4 N4 O2 -","- C8 H8 Ag B F4 N4 O2 -","- C32 H32 Ag4 B4 F16 N16 O8 -","4","1","","Puttreddy, Rakesh; Cottam, Justine R. A.; Steel, Peter J.","Anion dependent silver(i) complexes of pyrazine mono-N-oxide","RSC Adv.","2014","4","43","22449","","10.1039/C4RA01336K","","","0.71073","MoKα","","0.0466","0.0457","","","0.1089","0.1092","","","","","","1.27","","","","has coordinates","233120","2020-10-21","18:00:00",""
"7235543","6.51","0.0013","7.087","0.0014","12.645","0.003","95.6","0.03","103.58","0.03","99.5","0.03","553.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","4","","","- C8 H8 Ag N5 O5 -","- C8 H8 Ag N5 O5 -","- C16 H16 Ag2 N10 O10 -","2","1","","Puttreddy, Rakesh; Cottam, Justine R. A.; Steel, Peter J.","Anion dependent silver(i) complexes of pyrazine mono-N-oxide","RSC Adv.","2014","4","43","22449","","10.1039/C4RA01336K","","","0.71073","MoKα","","0.021","0.0137","","","0.0407","0.0482","","","","","","0.985","","","","has coordinates,has disorder","233120","2020-10-21","18:00:00",""
"7235544","11.3257","0.0003","12.5005","0.0002","13.7721","0.0003","90","","112.254","0.003","90","","1804.58","0.08","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","5","","","- C12 H10 Ag2 F6 N4 O7 -","- C12 H10 Ag2 F6 N4 O7 -","- C48 H40 Ag8 F24 N16 O28 -","4","1","","Puttreddy, Rakesh; Cottam, Justine R. A.; Steel, Peter J.","Anion dependent silver(i) complexes of pyrazine mono-N-oxide","RSC Adv.","2014","4","43","22449","","10.1039/C4RA01336K","","","0.71073","MoKα","","0.0201","0.0178","","","0.044","0.0453","","","","","","1.071","","","","has coordinates,has disorder","233120","2020-10-21","18:00:00",""
"7235545","12.454","0.004","13.5","0.004","20.224","0.007","95.632","0.012","91.802","0.011","109.716","0.01","3177.9","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H62 P4 Ru -","- C70 H62 P4 Ru -","- C140 H124 P8 Ru2 -","2","1","","Das, Uttam Kumar; Jena, Rajesh K.; Bhattacharjee, Manish","Synthesis, structure and catalytic properties of [Ru(dppp)2(CH3CN)Cl][BPh4] and isolation of catalytically active [Ru(dppp)2Cl][BPh4]: ruthenium catalysed alkyne homocoupling and tandem alkyne‒azide cycloaddition","RSC Adv.","2014","4","42","21964","","10.1039/C4RA01411A","","","0.71073","MoKα","","0.1715","0.0773","","","","0.197","","","","","","0.881","","","","has coordinates","233123","2020-10-21","18:00:00",""
"7235546","12.62","0.005","13.935","0.005","19.343","0.005","92.44","0.005","96.936","0.005","94.388","0.005","3362","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H75 B Cl N P4 Ru -","- C80 H75 B Cl N P4 Ru -","- C160 H150 B2 Cl2 N2 P8 Ru2 -","2","1","","Das, Uttam Kumar; Jena, Rajesh K.; Bhattacharjee, Manish","Synthesis, structure and catalytic properties of [Ru(dppp)2(CH3CN)Cl][BPh4] and isolation of catalytically active [Ru(dppp)2Cl][BPh4]: ruthenium catalysed alkyne homocoupling and tandem alkyne‒azide cycloaddition","RSC Adv.","2014","4","42","21964","","10.1039/C4RA01411A","","","0.71073","MoKα","","0.1871","0.0619","","","","0.1574","","","","","","0.92","","","","has coordinates","233123","2020-10-21","18:00:00",""
"7235547","17.742","0.005","19.095","0.005","19.603","0.005","90","0","97.922","0.005","90","0","6578","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C78 H72 B Cl P4 Ru -","- C78 H72 B Cl P4 Ru -","- C312 H288 B4 Cl4 P16 Ru4 -","4","1","","Das, Uttam Kumar; Jena, Rajesh K.; Bhattacharjee, Manish","Synthesis, structure and catalytic properties of [Ru(dppp)2(CH3CN)Cl][BPh4] and isolation of catalytically active [Ru(dppp)2Cl][BPh4]: ruthenium catalysed alkyne homocoupling and tandem alkyne‒azide cycloaddition","RSC Adv.","2014","4","42","21964","","10.1039/C4RA01411A","","","0.71073","MoKα","","0.2284","0.0732","","","0.1274","0.1933","","","","","","0.964","","","","has coordinates","233123","2020-10-21","18:00:00",""
"7235548","7.9393","0.0003","11.3829","0.0004","13.772","0.0006","111.729","0.004","101.772","0.003","99.8","0.003","1089.75","0.09","100","0.13","100","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Cl Co N6 O7 -","- C16 H24 Cl Co N6 O7 -","- C32 H48 Cl2 Co2 N12 O14 -","2","1","","Song, Xiao-Wei; Wen, Hui-Min; Ma, Cheng-Bing; Cui, Hong-Hua; Chen, Hui; Chen, Chang-Neng","Efficient photocatalytic hydrogen evolution with end-group-functionalized cobaloxime catalysts in combination with graphite-like C3N4","RSC Adv.","2014","4","36","18853","","10.1039/C4RA01413H","","","0.71073","MoKα","","","0.0409","","","0.093","0.0955","","","","","","1.091","","","","has coordinates","233125","2020-10-21","18:00:00",""
"7235549","9.5141","0.0004","17.4267","0.0009","20.3947","0.001","75.82","0.005","87.861","0.004","74.763","0.004","3161.8","0.3","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H70 Cl4 Co2 N12 O13 -","- C64 H70 Cl4 Co2 N12 O13 -","- C128 H140 Cl8 Co4 N24 O26 -","2","1","","Song, Xiao-Wei; Wen, Hui-Min; Ma, Cheng-Bing; Cui, Hong-Hua; Chen, Hui; Chen, Chang-Neng","Efficient photocatalytic hydrogen evolution with end-group-functionalized cobaloxime catalysts in combination with graphite-like C3N4","RSC Adv.","2014","4","36","18853","","10.1039/C4RA01413H","","","1.54184","CuKα","","","0.0716","","","0.1824","0.2068","","","","","","1.033","","","","has coordinates","233125","2020-10-21","18:00:00",""
"7235550","32.09","0.002","6.3662","0.0004","18.8845","0.0013","90","","118.786","0.004","90","","3381.2","0.4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cu N6 O2 S2 -","- C36 H40 Cu N6 O2 S2 -","- C144 H160 Cu4 N24 O8 S8 -","4","0.5","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","1.54178","CuKα","","0.039","0.0336","","","0.0869","0.0887","","","","","","1.089","","","","has coordinates,has disorder","233127","2020-10-21","18:00:00",""
"7235551","8.8813","0.0005","9.9783","0.0006","10.5085","0.0006","65.333","0.004","83.253","0.004","86.906","0.004","840.41","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cu N6 O2 S2 -","- C38 H32 Cu N6 O2 S2 -","- C38 H32 Cu N6 O2 S2 -","1","0.5","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","1.54178","CuKα","","0.0393","0.0349","","","0.0956","0.0973","","","","","","1.092","","","","has coordinates","233127","2020-10-21","18:00:00",""
"7235552","7.9816","0.0019","9.606","0.002","10.048","0.002","90","","94.281","0.003","90","","768.2","0.3","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 N3 O S -","- C16 H19 N3 O S -","- C32 H38 N6 O2 S2 -","2","1","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","0.71073","MoKα","","0.0563","0.0553","","","0.1435","0.1456","","","","","","1.024","","","","has coordinates,has disorder","233127","2020-10-21","18:00:00",""
"7235553","17.941","0.004","9.5618","0.0019","20.779","0.004","90","","107.292","0.002","90","","3403.5","1.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O S -","- C19 H17 N3 O S -","- C152 H136 N24 O8 S8 -","8","2","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","0.71073","MoKα","","0.0402","0.0357","","","0.0885","0.0921","","","","","","1.027","","","","has coordinates,has disorder","233127","2020-10-21","18:00:00",""
"7235554","19.258","0.005","19.258","0.005","9.374","0.002","90","","90","","90","","3476.5","1.5","110","2","110","2","","","","","","","","5","P -4","P -4","81","","","","- C19 H17 N3 O S -","- C19 H17 N3 O S -","- C152 H136 N24 O8 S8 -","8","2","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","0.71073","MoKα","","0.0436","0.0403","","","0.0917","0.0939","","","","","","1.092","","","","has coordinates,has disorder","233127","2020-10-21","18:00:00",""
"7235555","6.4059","0.0009","10.8648","0.0016","12.1262","0.0017","79.907","0.002","82.063","0.002","73.721","0.002","794.1","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N3 O S -","- C18 H15 N3 O S -","- C36 H30 N6 O2 S2 -","2","1","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","0.71073","MoKα","","0.0381","0.0354","","","0.0882","0.0898","","","","","","1.063","","","","has coordinates","233127","2020-10-21","18:00:00",""
"7235556","11.0663","0.0016","10.493","0.0015","14.541","0.002","90","","90","","90","","1688.5","0.4","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H21 N3 O S -","- C18 H21 N3 O S -","- C72 H84 N12 O4 S4 -","4","1","","Jeyalakshmi, Kumaramangalam; Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Sreekanth, Anantharaman; Karvembu, Ramasamy","DNA/protein binding and cytotoxicity studies of copper(ii) complexes containing N,N′,N′′-trisubstituted guanidine ligands","RSC Advances","2014","4","33","17179","","10.1039/c4ra01459f","","","0.71073","MoKα","","0.0256","0.025","","","0.0627","0.0633","","","","","","1.053","","","","has coordinates,has disorder","233127","2020-10-21","18:00:00",""
"7235557","10.8072","0.0007","12.1025","0.0008","14.9454","0.001","112.022","0.006","97.279","0.005","90.57","0.005","1794","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 Br N6 O7 S -","- C33 H19 Br N6 O7 S -","- C66 H38 Br2 N12 O14 S2 -","2","1","","Kamalraja, Jayabal; Murugasan, Potharaj; Perumal, Paramasivan Thirumalai","InCl3-mediated eco-friendly three-component domino reaction for synthesis of highly functionalized triazolylspiroxindolinopyrans and triazolylpyrans under solvent-free conditions","RSC Advances","2014","4","37","19422","","10.1039/c4ra01524j","","","0.71073","MoKα","","0.169","0.1154","","","0.3396","0.375","","","","","","1.324","","","","has coordinates","233129","2020-10-21","18:00:00",""
"7235558","4.1774","0.0005","9.2283","0.0012","10.8275","0.0014","108.661","0.002","95.978","0.002","91.459","0.002","392.54","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Br2 N4 Pb -","- C12 H10 Br2 N4 Pb -","- C12 H10 Br2 N4 Pb -","1","0.5","","Hashemi, Lida; Morsali, Ali","Solid state structural transformation of bromide coordination polymer to chloride by anion replacement; new precursors for preparation of PbBr2 and PbCl2 nanoparticles","RSC Adv.","2014","4","33","17265","","10.1039/C4RA01579G","","","0.71073","MoKα","","0.0139","0.0139","","","0.0327","0.0327","","","","","","1.004","","","","has coordinates","233131","2020-10-21","18:00:00",""
"7235559","4.0721","0.0011","8.784","0.002","10.982","0.003","110.278","0.005","95.38","0.009","90.369","0.01","366.53","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cl2 N4 Pb -","- C12 H10 Cl2 N4 Pb -","- C12 H10 Cl2 N4 Pb -","1","0.5","","Hashemi, Lida; Morsali, Ali","Solid state structural transformation of bromide coordination polymer to chloride by anion replacement; new precursors for preparation of PbBr2 and PbCl2 nanoparticles","RSC Adv.","2014","4","33","17265","","10.1039/C4RA01579G","","","0.71073","MoKα","","0.0254","0.0254","","","0.0539","0.0539","","","","","","1.014","","","","has coordinates","233131","2020-10-21","18:00:00",""
"7235560","5.361","0.005","11.911","0.005","15.763","0.005","90","0.005","90","0.005","90","0.005","1006.5","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Yasmin, Nasima; Ghosh, Munmun; Ray, Jayanta K.","P4S10 and Na2S-mediated novel annulation routes to c-fused thiophenes","RSC Advances","2014","4","38","19932","","10.1039/c4ra01639d","","","0.71073","MoKα","","0.0677","0.049","","","0.134","0.146","","","","","","1.074","","","","has coordinates","233133","2020-10-21","18:00:00",""
"7235561","12.992","0.006","22.249","0.01","12.953","0.006","90","","116.056","0.004","90","","3364","3","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H72 Cl8 Cu2 N24 O24 -","- C40 H44 Cl8 Cu2 N24 O24 -","- C80 H88 Cl16 Cu4 N48 O48 -","2","0.25","","Lin, Rui-Lian; Sun, Wen-Qi; Yao, Wen-Rui; Zhu, Jing; Liu, Jing-Xin","Anion concentration control in the self-assembly of symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril-based tubular architectures","RSC Advances","2014","4","35","18323","","10.1039/c4ra01671h","","","0.71073","MoKα","","0.0807","0.0518","","","0.1376","0.1545","","","","","","1.03","","","","has coordinates","233135","2020-10-21","18:00:00",""
"7235562","23.32","0.02","10.325","0.009","16.528","0.014","90","","117.31","0.02","90","","3536","5","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H60 Cl4 Cu2 N24 O26 -","- C40 H40 Cl4 Cu2 N24 O16 -","- C80 H80 Cl8 Cu4 N48 O32 -","2","0.25","","Lin, Rui-Lian; Sun, Wen-Qi; Yao, Wen-Rui; Zhu, Jing; Liu, Jing-Xin","Anion concentration control in the self-assembly of symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril-based tubular architectures","RSC Advances","2014","4","35","18323","","10.1039/c4ra01671h","","","0.71073","MoKα","","0.1075","0.0863","","","0.2419","0.2606","","","","","","1.002","","","","has coordinates","233135","2020-10-21","18:00:00",""
"7235563","14.5472","0.0016","14.6987","0.0017","31.549","0.004","90","","97.066","0.004","90","","6694.7","1.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H72 N24 O26 -","- C40 H44 N24 O12 -","- C160 H176 N96 O48 -","4","1","","Lin, Rui-Lian; Sun, Wen-Qi; Yao, Wen-Rui; Zhu, Jing; Liu, Jing-Xin","Anion concentration control in the self-assembly of symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril-based tubular architectures","RSC Advances","2014","4","35","18323","","10.1039/c4ra01671h","","","0.71073","MoKα","","0.1139","0.067","","","0.1656","0.1821","","","","","","1.005","","","","has coordinates","233135","2020-10-21","18:00:00",""
"7235564","9.9566","0.0015","10.2959","0.0016","13.2929","0.0019","74.756","0.004","76.427","0.004","79.167","0.004","1266.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H30 O3 -","- C34 H30 O3 -","- C68 H60 O6 -","2","1","","Ahmad, Imran; Pathak, Vinay; Vasudev, Prema G.; Maurya, Hardesh K.; Gupta, Atul","Borontribromide-mediated C‒C bond formation in cyclic ketones: a transition metal free approach","RSC Advances","2014","4","47","24619","","10.1039/c4ra01745e","","","0.71073","MoKα","","0.1563","0.0629","","","0.1163","0.1472","","","","","","0.939","","","","has coordinates","233137","2020-10-21","18:00:00",""
"7235565","7.952","0.003","9.721","0.004","9.932","0.004","109.057","0.007","102.134","0.007","92.43","0.007","704.3","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O -","- C20 H18 O -","- C40 H36 O2 -","2","1","","Ahmad, Imran; Pathak, Vinay; Vasudev, Prema G.; Maurya, Hardesh K.; Gupta, Atul","Borontribromide-mediated C‒C bond formation in cyclic ketones: a transition metal free approach","RSC Advances","2014","4","47","24619","","10.1039/c4ra01745e","","","0.71073","MoKα","","0.0745","0.0574","","","0.1522","0.1763","","","","","","1.075","","","","has coordinates","233137","2020-10-21","18:00:00",""
"7235566","7.512","0.003","10.869","0.004","15.71","0.007","73.025","0.008","89.269","0.008","85.733","0.008","1223.4","0.9","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H27 N3 O4 -","- C29 H27 N3 O4 -","- C58 H54 N6 O8 -","2","1","","Bai, Su-Yun; Dai, Xi; Zhao, Bao-Xiang; Miao, Jun-Ying","Discovery of a novel fluorescent HSP90 inhibitor and its anti-lung cancer effect","RSC Adv.","2014","4","38","19887","","10.1039/C4RA01800A","","","0.71073","MoKα","","0.242","0.0661","","","0.1422","0.2163","","","","","","0.874","","","","has coordinates","233139","2020-10-21","18:00:00",""
"7235567","7.9465","0.0005","18.6642","0.0012","8.8245","0.0006","90","","95.265","0.005","90","","1303.28","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O4 -","- C15 H12 N2 O4 -","- C60 H48 N8 O16 -","4","1","","Xiang, Haoyue; Chen, Jianyang; Miao, Zehong; Yang, Chunhao","Cascade synthesis of novel functionalized pyridine-fused coumarins in aqueous medium","RSC Advances","2014","4","31","16132","","10.1039/C4RA01848F","","","0.71073","MoKα","","0.0822","0.0597","","","0.1619","0.1739","","","","","","1.79","","","","has coordinates","233141","2020-10-21","18:00:00",""
"7235568","5.2272","0.0009","8.0305","0.0013","13.945","0.002","88.537","0.011","82.628","0.011","74.066","0.01","558.2","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C28 H20 N4 O4 -","2","1","","Xiang, Haoyue; Chen, Jianyang; Miao, Zehong; Yang, Chunhao","Cascade synthesis of novel functionalized pyridine-fused coumarins in aqueous medium","RSC Advances","2014","4","31","16132","","10.1039/C4RA01848F","","","0.71073","MoKα","","0.0529","0.0415","","","0.1242","0.1351","","","","","","1.459","","","","has coordinates","233141","2020-10-21","18:00:00",""
"7235569","13.087","0.002","11.462","0.002","15.654","0.003","90","","92.333","0.008","90","","2346.2","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 N3 -","- C12 H17 N3 -","- C96 H136 N24 -","8","2","","Ma, Yuchi; Liang, Jin; Zhao, Dongmei; Chen, Yue-Lei; Shen, Jingkang; Xiong, Bing","Condensed Fukui function predicts innate C‒H radical functionalization sites on multi-nitrogen containing fused arenes","RSC Adv.","2014","4","33","17262","","10.1039/C4RA01853B","","","0.71073","MoKα","","0.1157","0.0582","","","0.1753","0.22","","","","","","1.017","","","","has coordinates","233143","2020-10-21","18:00:00",""
"7235570","10.079","0.008","11.523","0.01","15.799","0.012","90","","90","","90","","1835","3","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H24 N6 O -","- C18 H24 N6 O -","- C72 H96 N24 O4 -","4","0.5","","Ma, Yuchi; Liang, Jin; Zhao, Dongmei; Chen, Yue-Lei; Shen, Jingkang; Xiong, Bing","Condensed Fukui function predicts innate C‒H radical functionalization sites on multi-nitrogen containing fused arenes","RSC Adv.","2014","4","33","17262","","10.1039/C4RA01853B","","","0.71073","MoKα","","0.1073","0.0506","","","0.1358","0.1751","","","","","","0.969","","","","has coordinates","233143","2020-10-21","18:00:00",""
"7235571","7.9968","0.0002","4.7517","0.0001","22.7801","0.0006","90","","95.949","0.001","90","","860.95","0.04","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N3 -","- C9 H11 N3 -","- C36 H44 N12 -","4","1","","Ma, Yuchi; Liang, Jin; Zhao, Dongmei; Chen, Yue-Lei; Shen, Jingkang; Xiong, Bing","Condensed Fukui function predicts innate C‒H radical functionalization sites on multi-nitrogen containing fused arenes","RSC Adv.","2014","4","33","17262","","10.1039/C4RA01853B","","","1.54178","CuKα","","0.0537","0.0435","","","0.1142","0.1225","","","","","","1.065","","","","has coordinates","233143","2020-10-21","18:00:00",""
"7235572","12.9851","0.0018","14.146","0.0019","13.3141","0.0019","90","","95.871","0.009","90","","2432.8","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 N3 -","- C12 H17 N3 -","- C96 H136 N24 -","8","2","","Ma, Yuchi; Liang, Jin; Zhao, Dongmei; Chen, Yue-Lei; Shen, Jingkang; Xiong, Bing","Condensed Fukui function predicts innate C‒H radical functionalization sites on multi-nitrogen containing fused arenes","RSC Adv.","2014","4","33","17262","","10.1039/C4RA01853B","","","0.71073","MoKα","","0.1122","0.0801","","","0.2534","0.301","","","","","","1.03","","","","has coordinates","233143","2020-10-21","18:00:00",""
"7235573","11.689","0.0003","14.7288","0.0004","17.9191","0.0005","90","","90","","90","","3085.04","0.14","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","coppercitrate","","","- C8 H14 Cu N6 O8 -","- C8 H14 Cu N6 O8 -","- C64 H112 Cu8 N48 O64 -","8","1","","Ghosh, Raja; K. S., Asha; Pratik, Saied Md.; Datta, Ayan; Nath, Ramesh; Mandal, Sukhendu","Synthesis, structure, photocatalytic and magnetic properties of an oxo-bridged copper dimer","RSC Adv.","2014","4","41","21195","","10.1039/C4RA01886A","","","0.71073","MoKα","","0.0538","0.037","","","0.1156","0.129","","","","","","1.053","","","","has coordinates","233145","2020-10-21","18:00:00",""
"7235574","8.696","0.001","10.994","0.001","14.457","0.001","84.01","0.01","87.05","0.01","70.49","0.01","1295.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Hg N3 S4 -","- C25 H24 Hg N3 S4 -","- C50 H48 Hg2 N6 S8 -","2","1","","Srinivasan, Narayanaswamy; Thirumaran, Subbiah; Ciattini, Samuele","Effect of co-crystallization of ethanol, pyridine and 2,2′-bipyridine on molecular aggregation in bis(1,2,3,4-tetrahydroquinolinedithiocarbamato-S,S′)mercury(ii) and synthesis of HgS nanoparticles","RSC Adv.","2014","4","44","22971","","10.1039/C4RA01913J","","","0.7107","MoKα","","0.0718","0.0344","","","0.072","0.088","","","","","","1.001","","","","has coordinates","233147","2020-10-21","18:00:00",""
"7235575","16.706","0.001","7.386","0.001","19.914","0.001","90","","96.898","0.004","90","","2439.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20.5 H21.5 Hg N2 O0.25 S4 -","- C20.5 H20 Hg N2 O0.25 S4 -","- C82 H80 Hg4 N8 O S16 -","4","1","","Srinivasan, Narayanaswamy; Thirumaran, Subbiah; Ciattini, Samuele","Effect of co-crystallization of ethanol, pyridine and 2,2′-bipyridine on molecular aggregation in bis(1,2,3,4-tetrahydroquinolinedithiocarbamato-S,S′)mercury(ii) and synthesis of HgS nanoparticles","RSC Adv.","2014","4","44","22971","","10.1039/C4RA01913J","","","0.71069","MoKα","","0.1123","0.0594","","","0.17","0.2082","","","","","","1.072","","","","has coordinates","233147","2020-10-21","18:00:00",""
"7235576","8.899","0.001","10.782","0.001","18.88","0.001","74.64","0.01","77.36","0.01","87.72","0.01","1704.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32.5 H32.5 Hg1.5 N3.5 S6 -","- C32.5 H30 Hg1.5 N3.5 S6 -","- C65 H60 Hg3 N7 S12 -","2","1","","Srinivasan, Narayanaswamy; Thirumaran, Subbiah; Ciattini, Samuele","Effect of co-crystallization of ethanol, pyridine and 2,2′-bipyridine on molecular aggregation in bis(1,2,3,4-tetrahydroquinolinedithiocarbamato-S,S′)mercury(ii) and synthesis of HgS nanoparticles","RSC Adv.","2014","4","44","22971","","10.1039/C4RA01913J","","","0.71069","MoKα","","0.0935","0.0367","","","0.0795","0.0963","","","","","","0.926","","","","has coordinates,has disorder","233147","2020-10-21","18:00:00",""
"7235577","17.93","0.008","17.93","0.008","25.611","0.008","90","","90","","120","","7130","5","80","2","80","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C51.5 H35.4 Co3 N9 O10.7 -","- C51.492 H35.013 Co3 N9 O10.682 -","- C308.952 H210.078 Co18 N54 O64.092 -","6","0.333333","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.17","0.0795","","","0.1355","0.1683","","","","","","1.022","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235578","16.817","0.007","18.486","0.008","22.062","0.01","85.44","0.05","87.91","0.05","81.35","0.05","6757","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C145.3 H110 Co7 N27 O25.6 -","- C145.3 H102.8 Co7 N27 O25.6 -","- C290.6 H205.6 Co14 N54 O51.2 -","2","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.3132","0.0618","","","0.0671","0.0848","","","","","","0.69","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235579","18.982","0.005","23.662","0.006","25.681","0.006","77.95","0.03","73.89","0.03","72.97","0.03","10493","5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C218.45 H160.5 Cl2 Co10 N42 O39.8 -","- C218.45 H148 Cl2 Co10 N42 O38.4 -","- C436.9 H296 Cl4 Co20 N84 O76.8 -","2","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.2025","0.1006","","","0.2487","0.3258","","","","","","1.052","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235580","18.982","0.005","23.662","0.006","25.681","0.006","77.95","0.03","73.89","0.03","72.97","0.03","10493","5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C217.7 H160.1 Cl2 Co10.05 N41.85 O39.75 -","- C217.7 H147.65 Cl2 Co10.05 N41.85 O38.35 -","- C435.4 H295.3 Cl4 Co20.1 N83.7 O76.7 -","2","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.2017","0.0999","","","0.247","0.3244","","","","","","1.047","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235581","14.988","0.006","19.712","0.008","26.76","0.012","90","","90.86","0.05","90","","7905","6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C83 H82 Co4 N12 O16 -","- C83 H80 Co4 N12 O16 -","- C332 H320 Co16 N48 O64 -","4","0.5","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.329","0.1198","","","0.1572","0.2307","","","","","","1.004","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235582","12.45","0.003","20.763","0.005","10.045","0.003","90","","109.37","0.03","90","","2449.6","1.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Co N5 O8 -","- C23 H30 Co N5 O8 -","- C92 H120 Co4 N20 O32 -","4","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.0611","0.0386","","","0.0814","0.0853","","","","","","1.003","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235583","18.248","0.006","21.492","0.008","19.745","0.006","90","","92.82","0.03","90","","7734","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C75.9 H81.6 Co3 N14 O17.9 -","- C75.859 H81.436 Co3 N14 O17.859 -","- C303.436 H325.744 Co12 N56 O71.436 -","4","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.1461","0.0775","","","0.1706","0.208","","","","","","1.019","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235584","15.597","0.004","16.743","0.005","18","0.005","98.15","0.02","109.88","0.03","105.02","0.02","4130","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C166.8 H143.2 Cl2 Co8 N32 O37.8 -","- C166.8 H137.2 Cl2 Co8 N32 O37.8 -","- C166.8 H137.2 Cl2 Co8 N32 O37.8 -","1","0.5","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.167","0.0698","","","0.1564","0.1787","","","","","","1.037","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235585","15.941","0.006","16.82","0.007","17.005","0.005","113.14","0.03","106.62","0.03","103.07","0.03","3709","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C161 H112 Cl2 Co8 N32 O28 -","- C161 H106 Cl2 Co8 N32 O28 -","- C161 H106 Cl2 Co8 N32 O28 -","1","0.5","","Canaj, Angelos B.; Nodaraki, Lydia E.; Ślepokura, Katarzyna; Siczek, Milosz; Tzimopoulos, Demetrios I.; Lis, Tadeusz; Milios, Constantinos J.","A family of polynuclear cobalt complexes upon employment of an indeno-quinoxaline based oxime ligand","RSC Adv.","2014","4","44","23068","","10.1039/C4RA01914H","","","0.71073","MoKα","","0.185","0.0647","","","0.1067","0.1214","","","","","","1.023","","","","has coordinates,has disorder","233151","2020-10-21","18:00:00",""
"7235586","12.16","0.002","12.154","0.002","24.347","0.004","90","","96.593","0.004","90","","3574.5","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 N6 O3 -","- C41 H40 N6 O3 -","- C164 H160 N24 O12 -","4","1","","Yang, Meipan; Meng, Wenfei; Liu, Xiaojing; Su, Na; Zhou, Jia; Yang, Bingqin","A selective colorimetric and fluorescent chemosensor for Cu2+ in living cells","RSC Advances","2014","4","42","22288","","10.1039/c4ra01921k","","","0.71073","MoKα","","0.1842","0.0699","","","0.1134","0.1488","","","","","","1.052","","","","has coordinates","233154","2020-10-21","18:00:00",""
"7235587","9.3781","0.0001","8.1224","0.0001","11.7374","0.0001","90","","112.532","0.0014","90","","825.824","0.017","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O6 -","- C15 H25 N O6 -","- C30 H50 N2 O12 -","2","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.033","0.0326","","0.0902","0.0896","0.0902","","","","","","1.005","","","","has coordinates","233155","2020-10-21","18:00:00",""
"7235588","9.64","0.0001","8.8771","0.0001","24.8424","0.0004","90","","98.6556","0.0014","90","","2101.68","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N O5.5 -","- C20 H27 Br N O5.5 -","- C80 H108 Br4 N4 O22 -","4","2","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.0439","0.0418","","0.1029","0.1009","0.1029","","","","","","0.9968","","","","has coordinates","233155","2020-10-21","18:00:00",""
"7235589","8.9582","0.0001","10.6774","0.0001","9.5609","0.0001","90","","112.302","0.0015","90","","846.097","0.018","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 N O6 -","- C16 H27 N O6 -","- C32 H54 N2 O12 -","2","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.024","0.0234","","0.061","0.0601","0.061","","","","","","1.0058","","","","has coordinates","233155","2020-10-21","18:00:00",""
"7235590","10.9357","0.0002","9.2334","0.0002","11.0082","0.0002","90","","101.252","0.0015","90","","1090.17","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H28 Br N O5 -","- C21 H28 Br N O5 -","- C42 H56 Br2 N2 O10 -","2","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.0304","0.0292","","0.0767","0.0755","0.0767","","","","","","1.0016","","","","has coordinates","233155","2020-10-21","18:00:00",""
"7235591","9.0903","0.0001","9.5673","0.0001","24.6946","0.0001","90","","90","","90","","2147.68","0.03","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O5 S -","- C21 H29 N O5 S -","- C84 H116 N4 O20 S4 -","4","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.0214","0.0212","","0.0577","0.0575","0.0577","","","","","","1.0124","","","","has coordinates","233155","2020-10-21","18:00:00",""
"7235592","9.1567","0.0001","13.7873","0.0001","17.7687","0.0002","90","","90","","90","","2243.23","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O6 -","- C23 H33 N O6 -","- C92 H132 N4 O24 -","4","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.0286","0.028","","0.0745","0.0735","0.0744","","","","","","0.9939","","","","has coordinates","233155","2020-10-21","18:00:00",""
"7235593","10.9217","0.0001","13.2521","0.0001","15.2021","0.0001","90","","90","","90","","2200.28","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O6 -","- C23 H33 N O6 -","- C92 H132 N4 O24 -","4","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.0276","0.0265","","0.0678","0.067","0.0678","","","","","","1.0118","","","","has coordinates","233155","2020-10-21","18:00:00",""
"7235594","11.4055","0.0009","12.3528","0.0009","11.3243","0.0008","90","","102.23","0.004","90","","1559.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N5 O S -","- C16 H17 N5 O S -","- C64 H68 N20 O4 S4 -","4","1","","García-Rubiño, M. E.; Núñez-Carretero, M. C.; Choquesillo-Lazarte, D.; García-Ruiz, J. M.; Madrid, Yolanda; Campos, J. M.","Stereospecific alkylation of substituted adenines by the Mitsunobu coupling reaction under microwave-assisted conditions","RSC Adv.","2014","4","43","22425","","10.1039/C4RA01968G","","","1.54178","CuKα","","0.0612","0.0556","","","0.1532","0.1586","","","","","","1.041","","","","has coordinates","233157","2020-10-21","18:00:00",""
"7235595","5.0547","0.0004","13.3237","0.001","23.2593","0.0018","90","","90","","90","","1566.5","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Cl N5 O S -","- C15 H14 Cl N5 O S -","- C60 H56 Cl4 N20 O4 S4 -","4","1","","García-Rubiño, M. E.; Núñez-Carretero, M. C.; Choquesillo-Lazarte, D.; García-Ruiz, J. M.; Madrid, Yolanda; Campos, J. M.","Stereospecific alkylation of substituted adenines by the Mitsunobu coupling reaction under microwave-assisted conditions","RSC Adv.","2014","4","43","22425","","10.1039/C4RA01968G","","","1.54178","CuKα","","0.0627","0.0506","","","0.1236","0.1349","","","","","","1.098","","","","has coordinates","233157","2020-10-21","18:00:00",""
"7235596","6.53","0.003","31.767","0.016","14.249","0.007","90","","94.555","0.012","90","","2946","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H15 N5 O S -","- C15 H15 N5 O S -","- C120 H120 N40 O8 S8 -","8","2","","García-Rubiño, M. E.; Núñez-Carretero, M. C.; Choquesillo-Lazarte, D.; García-Ruiz, J. M.; Madrid, Yolanda; Campos, J. M.","Stereospecific alkylation of substituted adenines by the Mitsunobu coupling reaction under microwave-assisted conditions","RSC Adv.","2014","4","43","22425","","10.1039/C4RA01968G","","","1.54178","CuKα","","0.077","0.055","","","0.1371","0.1637","","","","","","1.088","","","","has coordinates","233157","2020-10-21","18:00:00",""
"7235597","14.0099","0.0011","10.9631","0.0011","21.397","0.002","90","","105.274","0.002","90","","3170.3","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Br4 N2 O2 S4 -","- C28 H21.1 Br4 N2 O2 S4 -","- C112 H84.4 Br16 N8 O8 S16 -","4","1","","Pati, Palas Baran; Zade, Sanjio S.","Selective bromination of 2,5-bis(2-thienyl)pyrroles and solid-state polymerization through the β-carbon of pyrrole","RSC Adv.","2014","4","33","17022","","10.1039/C4RA01993H","","","0.71073","MoKα","","0.1102","0.0651","","","0.1733","0.2034","","","","","","1.039","","","","has coordinates","233160","2020-10-21","18:00:00",""
"7235598","32.762","0.007","10.724","0.002","13.937","0.003","90","","114.43","0.03","90","","4458.2","1.9","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H36 Cl0 Co2 N10 O8 -","- C50 H36 Co2 N10 O8 -","- C200 H144 Co8 N40 O32 -","4","1","","Hou, Ya Nan; Wang, Zhi Nan; Bai, Feng Ying; Guan, Qing Lin; Wang, Xuan; Zhang, Rui; Xing, Yong Heng","Three novel d7/d10 metal complexes with N-heterocyclic ligand of 2,6-bis(3-pyrazolyl)pyridine: synthesis, structure, surface photovoltage spectroscopy and photocatalytic activity","RSC Adv.","2014","4","41","21180","","10.1039/C4RA02015D","","","0.71073","MoKα","","0.1854","0.0698","","","0.1181","0.1529","","","","","","0.978","","","","has coordinates","233163","2020-10-21","18:00:00",""
"7235599","11.396","0.002","15.014","0.003","15.094","0.003","72.47","0.03","84.22","0.03","81.61","0.03","2431.9","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H39 Cl0 Co2 N10 O4 -","- C49 H39 Co2 N10 O4 -","- C98 H78 Co4 N20 O8 -","2","1","","Hou, Ya Nan; Wang, Zhi Nan; Bai, Feng Ying; Guan, Qing Lin; Wang, Xuan; Zhang, Rui; Xing, Yong Heng","Three novel d7/d10 metal complexes with N-heterocyclic ligand of 2,6-bis(3-pyrazolyl)pyridine: synthesis, structure, surface photovoltage spectroscopy and photocatalytic activity","RSC Adv.","2014","4","41","21180","","10.1039/C4RA02015D","","","0.71073","MoKα","","0.1403","0.0863","","","0.2504","0.2919","","","","","","1.055","","","","has coordinates","233163","2020-10-21","18:00:00",""
"7235600","10.941","0.002","12.616","0.003","17.363","0.004","105.61","0.03","102.34","0.03","90.47","0.03","2249.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H41 N10 O4 Zn2 -","- C50 H41 N10 O4 Zn2 -","- C100 H82 N20 O8 Zn4 -","2","1","","Hou, Ya Nan; Wang, Zhi Nan; Bai, Feng Ying; Guan, Qing Lin; Wang, Xuan; Zhang, Rui; Xing, Yong Heng","Three novel d7/d10 metal complexes with N-heterocyclic ligand of 2,6-bis(3-pyrazolyl)pyridine: synthesis, structure, surface photovoltage spectroscopy and photocatalytic activity","RSC Adv.","2014","4","41","21180","","10.1039/C4RA02015D","","","0.71073","MoKα","","0.1686","0.0894","","","0.2258","0.2715","","","","","","1.024","","","","has coordinates,has disorder","233163","2020-10-21","18:00:00",""
"7235601","17.7884","0.0012","7.564","0.0005","14.5599","0.001","90","","92.518","0.001","90","","1957.2","0.2","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl Cr N3 -","- C23 H19 Cl Cr N3 -","- C92 H76 Cl4 Cr4 N12 -","4","1","","Liu, Jing-Yu; Tao, Ping; Wang, Yong-Xia; Li, Yue-Sheng","Highly active half-sandwich chromium(iii) catalysts bearing bis(imino)pyrrole ligands for ethylene (co)polymerization","RSC Adv.","2014","4","37","19433","","10.1039/C4RA02039A","","","0.71073","MoKα","","0.0417","0.0363","","","0.094","0.0978","","","","","","1.036","","","","has coordinates","233165","2020-10-21","18:00:00",""
"7235602","11.4826","0.0009","9.7676","0.0008","24.3114","0.0019","90","","98.283","0.001","90","","2698.3","0.4","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cl Cr N3 -","- C27 H27 Cl Cr N3 -","- C108 H108 Cl4 Cr4 N12 -","4","1","","Liu, Jing-Yu; Tao, Ping; Wang, Yong-Xia; Li, Yue-Sheng","Highly active half-sandwich chromium(iii) catalysts bearing bis(imino)pyrrole ligands for ethylene (co)polymerization","RSC Adv.","2014","4","37","19433","","10.1039/C4RA02039A","","","0.71073","MoKα","","0.0865","0.0599","","","0.1534","0.1661","","","","","","1.043","","","","has coordinates","233165","2020-10-21","18:00:00",""
"7235603","18.7272","0.0013","11.8149","0.0008","29.4","0.002","90","","90","","90","","6505","0.8","185","2","185","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H43 Cl Cr N3 -","- C35 H43 Cl Cr N3 -","- C280 H344 Cl8 Cr8 N24 -","8","1","","Liu, Jing-Yu; Tao, Ping; Wang, Yong-Xia; Li, Yue-Sheng","Highly active half-sandwich chromium(iii) catalysts bearing bis(imino)pyrrole ligands for ethylene (co)polymerization","RSC Adv.","2014","4","37","19433","","10.1039/C4RA02039A","","","0.71073","MoKα","","0.121","0.0742","","","0.1683","0.1978","","","","","","1.018","","","","has coordinates","233165","2020-10-21","18:00:00",""
"7235604","11.264","0.002","7.0576","0.0014","22.435","0.005","90","","93.75","0.03","90","","1779.7","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Fu, Meiqin; Lin, Dongen; Deng, Yuanfu; Zhang, Xiao-Qi; Liu, Yanchu; Lai, Chunsong; Zeng, Wei","Pd-catalyzed tandem homocoupling‒aldol‒dehydration of ortho-acylphenyl iodides","RSC Adv.","2014","4","45","23595","","10.1039/C4RA02055C","","","0.71073","MoKα","","0.1286","0.0535","","","0.1488","0.2021","","","","","","1.021","","","","has coordinates","233167","2020-10-21","18:00:00",""
"7235605","8.4369","0.001","12.6589","0.0013","15.5346","0.0016","75.851","0.006","89.973","0.007","83.469","0.007","1597.7","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","2","","Boominathan, Muthusamy; Nagaraj, Muthupandi; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Three component synthesis of 2-oxindole via sequential Michael addition, intramolecular cyclization and aromatization","RSC Advances","2014","4","36","18549","","10.1039/c4ra02091j","","","1.54178","CuKα","","0.0825","0.0571","","","0.1642","0.1867","","","","","","1.073","","","","has coordinates","233168","2020-10-21","18:00:00",""
"7235606","9.596","0.004","11.669","0.005","17.743","0.008","90","","90","","90","","1986.8","1.5","293.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N O3 -","- C20 H29 N O3 -","- C80 H116 N4 O12 -","4","1","","Sarmah, Barnali; Baishya, Gakul; Baruah, Rajani K.","First example of a Prins‒Ritter reaction on terpenoids: a diastereoselective route to novel 4-amido-octahydro-2H-chromenes","RSC Advances","2014","4","43","22387","","10.1039/c4ra02124j","","","0.71075","MoKα","","","0.0811","","","","0.0914","","","","","","3.532","","","","has coordinates","233170","2020-10-21","18:00:00",""
"7235607","16.6545","0.0016","16.6545","0.0016","16.3362","0.0018","90","","90","","90","","4531.2","0.8","113","2","113","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H9 Cu N3 O3 -","- C10 H9 Cu N3 O3 -","- C160 H144 Cu16 N48 O48 -","16","1","","Hawes, Chris S.; Kruger, Paul E.","Preparation of open and closed forms of the lvt network with Cu(ii) complexes of structurally related 1,2-diazole ligands","RSC Advances","2014","4","30","15770","","10.1039/C4RA02147A","","","0.71073","MoKα","","0.0876","0.0455","","","0.0931","0.1097","","","","","","1.019","","","","has coordinates","233172","2020-10-21","18:00:00",""
"7235608","18.0584","0.0008","18.0584","0.0008","18.3413","0.0011","90","","90","","90","","5981.2","0.5","113","2","113","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C9 H11 Cu N3 O3 -","- C9 H11 Cu N3 O3 -","- C144 H176 Cu16 N48 O48 -","16","1","","Hawes, Chris S.; Kruger, Paul E.","Preparation of open and closed forms of the lvt network with Cu(ii) complexes of structurally related 1,2-diazole ligands","RSC Advances","2014","4","30","15770","","10.1039/C4RA02147A","","","0.71073","MoKα","","0.0702","0.0651","","","0.1589","0.162","","","","","","1.206","","","","has coordinates","233172","2020-10-21","18:00:00",""
"7235609","15.1675","0.0012","20.323","0.002","20.135","0.003","90","","111.855","0.009","90","","5760.5","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H164 N2 O32 S2 V8 -","- C92 H164 N2 O32 S2 V8 -","- C184 H328 N4 O64 S4 V16 -","2","0.5","","Ghorai, Samir; Mukherjee, Chandan","Synthesis and characterization of a tetraradical-containing octanuclear vanadium cluster formed via ligand C‒N bond breaking and C‒O bond making","RSC Advances","2014","4","47","24698","","10.1039/c4ra02159b","","","0.71073","MoKα","","0.0895","0.0553","","","0.1242","0.1411","","","","","","1.068","","","","has coordinates,has disorder","233174","2020-10-21","18:00:00",""
"7235610","17.4674","0.0016","22.482","0.002","9.5117","0.0009","90","","90.222","0.006","90","","3735.2","0.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C176 H160 O32 -","8","2","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.0921","0.0591","","","0.1451","0.1601","","","","","","1.04","","","","has coordinates","233177","2020-10-21","18:00:00",""
"7235611","11.383","0.003","11.543","0.003","17.587","0.005","90","","97.626","0.013","90","","2290.4","1.1","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 O6 -","- C28 H20 O6 -","- C112 H80 O24 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.0603","0.0391","","","0.0972","0.1095","","","","","","1.018","","","","has coordinates","233177","2020-10-21","18:00:00",""
"7235612","8.867","0.003","16.757","0.005","14.8","0.005","90","","91.21","0.007","90","","2198.6","1.2","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O4 -","- C28 H24 O4 -","- C112 H96 O16 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.0504","0.0379","","","0.1081","0.1138","","","","","","1.086","","","","has coordinates","233177","2020-10-21","18:00:00",""
"7235613","8.903","0.004","23.11","0.01","10.38","0.005","90","","108.38","0.01","90","","2026.7","1.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.0773","0.0464","","","0.1127","0.1309","","","","","","1.015","","","","has coordinates","233177","2020-10-21","18:00:00",""
"7235614","4.856","0.003","53.09","0.04","7.51","0.005","90","","93.902","0.018","90","","1932","2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C96 H80 O16 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","","","0.1366","0.0797","","","","0.2365","","","","","","1.1283","","","","has coordinates","233177","2020-10-21","18:00:00",""
"7235615","5.975","0.007","10.756","0.013","16.56","0.02","73.702","0.014","87.212","0.014","83.25","0.02","1014","2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C48 H48 O8 -","2","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.3118","0.0821","","","0.2199","0.2846","","","","","","1.005","","","","has coordinates,has disorder","233177","2020-10-21","18:00:00",""
"7235616","20.0985","0.0011","8.38","0.0004","12.1731","0.0006","90","","91.639","0.002","90","","2049.42","0.18","298","2","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O5 -","- C24 H24 O5 -","- C96 H96 O20 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.1312","0.1097","","","0.3576","0.3896","","","","","","1.575","","","","has coordinates","233177","2020-10-21","18:00:00",""
"7235617","18.839","0.0008","13.5066","0.0006","9.0088","0.0003","90","","90","","90","","2292.3","0.16","298","2","298","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C26 H28 O6 -","- C26 H28 O6 -","- C104 H112 O24 -","4","0.5","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.085","0.0567","","","0.1564","0.177","","","","","","1.065","","","","has coordinates,has disorder","233177","2020-10-21","18:00:00",""
"7235618","8.9306","0.0005","13.0866","0.0008","19.8566","0.0011","90","","90","","90","","2320.7","0.2","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 O8 -","- C26 H24 O8 -","- C104 H96 O32 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.0729","0.047","","","0.1068","0.1193","","","","","","1.018","","","","has coordinates","233177","2020-10-21","18:00:00",""
"7235619","15.205","0.006","16.28","0.007","10.936","0.005","90","","107.697","0.009","90","","2579","1.9","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O4 -","- C30 H32 O4 -","- C120 H128 O16 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MOKα","","0.1051","0.0529","","","0.1295","0.1578","","","","","","1.009","","","","has coordinates","233177","2020-10-21","18:00:00",""
"7235620","8.6914","0.0009","12.4846","0.0014","25.241","0.003","77.626","0.003","87.992","0.004","79.519","0.004","2630.6","0.5","298","2","298","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H32 O5 -","- C30 H32 O5 -","- C120 H128 O20 -","4","2","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.2986","0.0712","","","0.1421","0.2264","","","","","","0.906","","","","has coordinates","233177","2020-10-21","18:00:00",""
"7235621","10.4541","0.001","17.4437","0.0017","11.0894","0.001","90","","104.244","0.005","90","","1960.1","0.3","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C88 H92 N4 O20 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.0843","0.0629","","","0.1675","0.1834","","","","","","1.067","","","","has coordinates,has disorder","233177","2020-10-21","18:00:00",""
"7235622","9.5532","0.0005","24.2453","0.0013","9.5232","0.0004","90","","90","","90","","2205.77","0.19","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H26 O5 S -","- C24 H26 O5 S -","- C96 H104 O20 S4 -","4","0.5","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.1507","0.0515","","","0.0945","0.1232","","","","","","0.959","","","","has coordinates","233177","2020-10-21","18:00:00",""
"7235623","8.9442","0.0009","9.7734","0.001","14.2491","0.0012","85.521","0.005","75.471","0.005","75.776","0.005","1168.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 O4 S -","- C26 H30 O4 S -","- C52 H60 O8 S2 -","2","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.2061","0.104","","","0.3027","0.3841","","","","","","1.06","","","","has coordinates","233177","2020-10-21","18:00:00",""
"7235624","6.2699","0.0008","18.427","0.002","8.7769","0.0012","90","","90.755","0.002","90","","1014","0.2","143","2","143","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H34 B N O3 S -","- C18 H34 B N O3 S -","- C36 H68 B2 N2 O6 S2 -","2","1","","Chen, Jinbo; Chen, Ling-yan; Zheng, Yue; Sun, Zhihua","Asymmetric synthesis of stable α-aminoboronic esters catalyzed by N-heterocylic carbene and copper(i) chloride","RSC Advances","2014","4","40","21131","","10.1039/c4ra02229g","","","0.71073","MoKα","","0.0647","0.0422","","","0.0817","0.0891","","","","","","1.011","","","","has coordinates","233180","2020-10-21","18:00:00",""
"7235625","16.207","0.005","25.341","0.005","29.606","0.005","90","0.005","92.522","0.005","90","0.005","12147","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H96 As2 Cu4 N36 O74 W18 -","- C48 H72 As2 Cu4 N36 O64 W18 -","- C192 H288 As8 Cu16 N144 O256 W72 -","4","0.5","","Sun, Wenlong; Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li; Zhang, Zhuanfang","A new 3D framework based on reduced Wells-Dawson arsenotungstates as eight-connected linkages","RSC Adv.","2014","4","47","24755","","10.1039/C4RA02239D","","","0.71069","MoKα","","0.0811","0.059","","","0.1519","0.1639","","","","","","0.901","","","","has coordinates,has disorder","233182","2020-10-21","18:00:00",""
"7235626","10.187","0.003","13.377","0.004","17.241","0.005","101.129","0.008","100.063","0.007","93.506","0.005","2258.8","1.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H86 Cd3 N24 O30 S2 -","- C64 H66 Cd3 N24 O30 S2 -","- C64 H66 Cd3 N24 O30 S2 -","1","0.5","","Ding, Jian-Gang; Yin, Chao; Zheng, Ling-Yun; Han, Shan-Shan; Li, Bao-Long; Wu, Bing","Tuning cadmium coordination architectures using 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene and sulfoisophthalate","RSC Advances","2014","4","47","24594","","10.1039/c4ra02291b","","","0.71075","MoKα","","0.1095","0.0782","","","0.1951","0.219","","","","","","1.094","","","","has coordinates","233184","2020-10-21","18:00:00",""
"7235627","10.3437","0.0004","13.303","0.0006","13.8717","0.0005","61.453","0.004","83.117","0.003","88.19","0.003","1663.91","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H62 Cd3 N18 O24 S2 -","- C52 H62 Cd3 N18 O24 S2 -","- C52 H62 Cd3 N18 O24 S2 -","1","0.5","","Ding, Jian-Gang; Yin, Chao; Zheng, Ling-Yun; Han, Shan-Shan; Li, Bao-Long; Wu, Bing","Tuning cadmium coordination architectures using 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene and sulfoisophthalate","RSC Advances","2014","4","47","24594","","10.1039/c4ra02291b","","","0.71073","MoKα","","0.0502","0.0401","","","0.0892","0.094","","","","","","1.033","","","","has coordinates","233184","2020-10-21","18:00:00",""
"7235628","10.0501","0.0016","17.049","0.003","18.433","0.003","104.149","0.004","93.545","0.003","90.484","0.004","3055.8","0.9","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 Cd3 N12 O26 S2 -","- C40 H50 Cd3 N12 O26 S2 -","- C80 H100 Cd6 N24 O52 S4 -","2","1","","Ding, Jian-Gang; Yin, Chao; Zheng, Ling-Yun; Han, Shan-Shan; Li, Bao-Long; Wu, Bing","Tuning cadmium coordination architectures using 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene and sulfoisophthalate","RSC Advances","2014","4","47","24594","","10.1039/c4ra02291b","","","0.71075","MoKα","","0.0716","0.0548","","","0.1485","0.1597","","","","","","1.066","","","","has coordinates,has disorder","233184","2020-10-21","18:00:00",""
"7235629","8.6566","0.0003","10.9696","0.0004","35.7255","0.0011","95.4889","0.0013","92.2032","0.0014","97.1362","0.0015","3346.4","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H44 Mo O3 Si -","- C37 H44 Mo O3 Si -","- C148 H176 Mo4 O12 Si4 -","4","2","","Kanno, Yuto; Komuro, Takashi; Tobita, Hiromi","Insertion of carbon monoxide into an aldehyde CO double bond induced by an (η3-α-silabenzyl)carbonylmolybdenum complex","RSC Adv.","2014","4","37","19068","","10.1039/C4RA02308K","","","1.54178","CuKα","","0.074","0.0732","","","0.1671","0.1674","","","","","","1.361","","","","has coordinates","233186","2020-10-21","18:00:00",""
"7235630","12.8069","0.0003","13.1036","0.0004","21.5568","0.0007","90","","90.7174","0.0004","90","","3617.3","0.18","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H46 Mo O4 Si -","- C39 H46 Mo O4 Si -","- C156 H184 Mo4 O16 Si4 -","4","2","","Kanno, Yuto; Komuro, Takashi; Tobita, Hiromi","Insertion of carbon monoxide into an aldehyde CO double bond induced by an (η3-α-silabenzyl)carbonylmolybdenum complex","RSC Adv.","2014","4","37","19068","","10.1039/C4RA02308K","","","0.71069","MoKα","","0.0853","0.0681","","","0.1278","0.1365","","","","","","1.149","","","","has coordinates","233186","2020-10-21","18:00:00",""
"7235631","14.9211","0.0006","9.5163","0.0002","23.0981","0.0009","90","","99.446","0.003","90","","3235.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H49 N O4 -","- C36 H49 N O4 -","- C144 H196 N4 O16 -","4","1","","Salehzadeh, Hamid; Nematollahi, Davood","A non-covalent complex based on catechol‒benzoxazole moieties: electrochemical synthesis and characterization","RSC Adv.","2014","4","46","24207","","10.1039/C4RA02340D","","","0.71073","MoKα","","0.0843","0.0674","","","0.1554","0.1631","","","","","","1.19","","","","has coordinates","233188","2020-10-21","18:00:00",""
"7235632","4.8448","0.0004","9.885","0.0007","14.1315","0.0013","78.203","0.004","83.713","0.004","88.665","0.005","658.49","0.09","193","2","193","2","","","","","","","","7","P 1","P 1","1","","","","- C20 H20 F6 N8 O3 Pt S2 -","- C20 H20 F6 N8 O3 Pt S2 -","- C20 H20 F6 N8 O3 Pt S2 -","1","1","","Septiadi, Dedy; Aliprandi, Alessandro; Mauro, Matteo; De Cola, Luisa","Bio-imaging with neutral luminescent Pt(ii) complexes showing metal⋯metal interactions","RSC Adv.","2014","4","49","25709","","10.1039/C4RA02351J","","","0.71073","MoKα","","0.0471","0.0437","","","0.1178","0.1317","","","","","","1.189","","","","has coordinates,has disorder","233189","2020-10-21","18:00:00",""
"7235633","23.051","0.005","5.624","0.005","17.451","0.005","90","0.005","121.026","0.005","90","0.005","1938.7","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 O6 -","- C18 H26 N4 O6 -","- C72 H104 N16 O24 -","4","0.5","","Nagapandiselvi, P.; Baby, C.; Gopalakrishnan, R.","Self-assembled supramolecular structure of N,N,N′,N′-tetramethylethylenediammonium-bis-(4-nitrophenolate): synthesis, single crystal growth and photo physical properties","RSC Adv.","2014","4","43","22350","","10.1039/C4RA02393E","","","0.71073","MoKα","","0.0551","0.0428","","","0.113","0.1232","","","","","","1.025","","","","has coordinates","233191","2020-10-21","18:00:00",""
"7235634","13.0741","0.0018","4.2988","0.0004","24.974","0.003","90","","100.04","0.011","90","","1382.1","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 I N3 O -","- C16 H10 I N3 O -","- C64 H40 I4 N12 O4 -","4","1","","Ghosh, Suman Kr; Nagarajan, Rajagopal","NIS-mediated regioselective amidation of indole with quinazolinone and pyrimidone","RSC Adv.","2014","4","39","20136","","10.1039/C4RA02417F","","","0.71073","MoKα","","0.0661","0.0526","","","0.148","0.1641","","","","","","1.011","","","","has coordinates","233193","2020-10-21","18:00:00",""
"7235635","8.3989","0.0018","12.9656","0.0014","13.6993","0.0018","90","","101.702","0.016","90","","1460.8","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Ghosh, Suman Kr; Nagarajan, Rajagopal","NIS-mediated regioselective amidation of indole with quinazolinone and pyrimidone","RSC Adv.","2014","4","39","20136","","10.1039/C4RA02417F","","","0.71073","MoKα","","0.0859","0.0669","","","0.1994","0.21","","","","","","1.191","","","","has coordinates","233193","2020-10-21","18:00:00",""
"7235636","10.8278","0.0007","11.3669","0.0008","13.0687","0.0006","100.716","0.005","106.227","0.005","104.477","0.006","1437.64","0.17","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","2","","Ghosh, Suman Kr; Nagarajan, Rajagopal","NIS-mediated regioselective amidation of indole with quinazolinone and pyrimidone","RSC Adv.","2014","4","39","20136","","10.1039/C4RA02417F","","","0.71073","MoKα","","0.0722","0.0472","","","0.1128","0.1322","","","","","","0.955","","","","has coordinates","233193","2020-10-21","18:00:00",""
"7235637","10.83","0.003","12.205","0.003","12.209","0.003","102.677","0.004","106.686","0.004","110.923","0.004","1347.2","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N3 O -","- C17 H13 N3 O -","- C68 H52 N12 O4 -","4","2","","Ghosh, Suman Kr; Nagarajan, Rajagopal","NIS-mediated regioselective amidation of indole with quinazolinone and pyrimidone","RSC Adv.","2014","4","39","20136","","10.1039/C4RA02417F","","","0.71073","MoKα","","0.0551","0.0494","","","0.1267","0.1366","","","","","","0.804","","","","has coordinates","233193","2020-10-21","18:00:00",""
"7235638","18.9964","0.0013","14.4609","0.001","19.8858","0.001","90","","120.723","0.005","90","","4696","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-amino-5-cyano-3-phenylpyridin-2-yl)-4-methyl-N-phenylbenzenesulfonamide","","- C25.5 H23 N4 O3.5 S -","- C25.5 H23 N4 O3.5 S -","- C204 H184 N32 O28 S8 -","8","2","","Zhou, Fenguo; Zhang, Ning; Xin, Xiaoqing; Zhang, Xun; Liang, Yongjiu; Zhang, Rui; Dong, Dewen","Synthesis of multi-substituted 4-aminopyridines via ring-opening and recyclization reactions of 2-iminopyridines","RSC Adv.","2014","4","35","18198","","10.1039/C4RA02428A","","","0.71073","MoKα","","0.1239","0.0652","","","0.1178","0.1349","","","","","","1.008","","","","has coordinates","233195","2020-10-21","18:00:00",""
"7235639","11.546","0.003","13.445","0.003","17.259","0.004","96.731","0.004","99.473","0.004","113.714","0.004","2369.1","1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","4-amino-1,5-diphenyl-6-(tosylimino)-1,6-dihydropyridine-3-carboxamide","","- C25.5 H22.75 N4 O3.25 S -","- C25.5 H22.75 N4 O3.25 S -","- C102 H91 N16 O13 S4 -","4","2","","Zhou, Fenguo; Zhang, Ning; Xin, Xiaoqing; Zhang, Xun; Liang, Yongjiu; Zhang, Rui; Dong, Dewen","Synthesis of multi-substituted 4-aminopyridines via ring-opening and recyclization reactions of 2-iminopyridines","RSC Adv.","2014","4","35","18198","","10.1039/C4RA02428A","","","0.71073","MoKα","","0.0767","0.0556","","","0.1495","0.163","","","","","","0.971","","","","has coordinates","233195","2020-10-21","18:00:00",""
"7235640","9.031","0.003","16.026","0.005","15.958","0.005","90","","98.402","0.006","90","","2284.8","1.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(4-amino-5-cyano-3-phenylpyridin-2-yl)-4-methyl-N-phenylbenzenesulfonamide","","- C25 H20 N4 O2 S -","- C25 H20 N4 O2 S -","- C100 H80 N16 O8 S4 -","4","1","","Zhou, Fenguo; Zhang, Ning; Xin, Xiaoqing; Zhang, Xun; Liang, Yongjiu; Zhang, Rui; Dong, Dewen","Synthesis of multi-substituted 4-aminopyridines via ring-opening and recyclization reactions of 2-iminopyridines","RSC Adv.","2014","4","35","18198","","10.1039/C4RA02428A","","","0.71073","MoKα","","0.1351","0.0554","","","0.1055","0.1354","","","","","","0.948","","","","has coordinates","233195","2020-10-21","18:00:00",""
"7235641","4.8868","0.0005","16.136","0.003","19.0524","0.0016","90","","90","","90","","1502.3","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-","","- C23 H14 O -","- C23 H14 O -","- C92 H56 O4 -","4","1","","Prakash Rao, H. Surya; Vijjapu, Satish","Synthesis and photochromic properties of benzofuran‒phenanthrene and benzofuran‒pyrene hybrids","RSC Adv.","2014","4","49","25747","","10.1039/C4RA02435D","","","0.7107","MoKα","","0.1361","0.0745","","","0.1847","0.2324","","","","","","1.037","","","","has coordinates","233197","2020-10-21","18:00:00",""
"7235642","8.6817","0.0005","10.0211","0.0006","12.9825","0.0009","109.182","0.006","97.305","0.005","99.853","0.005","1030.43","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N O5 -","- C26 H19 N O5 -","- C52 H38 N2 O10 -","2","1","","Prakash Rao, H. Surya; Vijjapu, Satish","Synthesis and photochromic properties of benzofuran‒phenanthrene and benzofuran‒pyrene hybrids","RSC Adv.","2014","4","49","25747","","10.1039/C4RA02435D","","","0.71073","MoKα","","0.0844","0.0547","","","0.1344","0.1535","","","","","","1.037","","","","has coordinates","233197","2020-10-21","18:00:00",""
"7235643","3.7653","0.0001","17.7911","0.0004","16.0214","0.0003","90","","92.874","0.002","90","","1071.9","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F N2 O -","- C14 H9 F N2 O -","- C56 H36 F4 N8 O4 -","4","1","","Petiot, Pauline; Dansereau, Julien; Gagnon, Alexandre","Copper-catalyzed N-arylation of azoles and diazoles using highly functionalized trivalent organobismuth reagents","RSC Adv.","2014","4","42","22255","","10.1039/C4RA02467B","","","1.54178","CuKα","","0.0682","0.0583","","","0.1595","0.1657","","","","","","1.193","","","","has coordinates","233198","2020-10-21","18:00:00",""
"7235644","7.2831","0.0002","12.4744","0.0003","16.0184","0.0004","90","","90","","90","","1455.31","0.06","173","0.3","173","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O7 -","- C16 H14 O7 -","- C64 H56 O28 -","4","1","","Xiong, Hui; Xiao, Gao-Keng; Chen, Guo-Dong; Chen, He-Ru; Hu, Dan; Li, Xiao-Xia; Zhong, Shi-Wei; Guo, Liang-Dong; Yao, Xin-Sheng; Gao, Hao","Sporormiellin A, the first tetrahydrofuran-fused furochromone with an unprecedented tetracyclic skeleton from Sporormiella minima","RSC Adv.","2014","4","46","24295","","10.1039/C4RA02491E","","","1.54178","CuKα","","0.0385","0.0363","","","0.0966","0.0991","","","","","","1.06","","","","has coordinates","233200","2020-10-21","18:00:00",""
"7235645","12.9","0.0012","14.6334","0.0014","16.944","0.0016","87.112","0.002","84.698","0.002","74.154","0.002","3062.8","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H61 Br4.03 N4 O10 S2 -","- C62 H61 Br4.03 N4 O10 S2 -","- C124 H122 Br8.06 N8 O20 S4 -","2","1","","Banothu, Janardhan; Khanapur, Manjulatha; Basavoju, Srinivas; Bavantula, Rajitha; Narra, Muralikrishna; Abbagani, Sadanandam","Synthesis, characterization and biological evaluation of fused thiazolo[3,2-a]pyrimidine derivatives","RSC Advances","2014","4","44","22866","","10.1039/c4ra02514h","","","0.71073","MoKα","","0.0845","0.0454","","","0.1059","0.1218","","","","","","1.016","","","","has coordinates","233201","2020-10-21","18:00:00",""
"7235646","11.5631","0.0018","15.924","0.003","8.8842","0.0014","90","","102.048","0.002","90","","1599.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(imidazolidin-2-ylidene)-2-((4-methoxyphenyl)thio)-1-phenylethanone","2-(imidazolidin-2-ylidene)-2-((4-methoxyphenyl)thio)-1-phenylethanone","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C72 H72 N8 O8 S4 -","4","1","","Jiang, Xiu-Yang; Liu, Zhi-Cheng; Fang, Li; Yan, Sheng-Jiao; Lin, Jun","Construction of C(sp2)‒S and C(sp2)‒Se bonds via a silver(i)-mediated coupling reaction of heterocyclic ketene aminals with diaryl dichalcogenides","RSC Adv.","2014","4","50","26389","","10.1039/C4RA02519A","","","0.71073","MoKα","","0.0963","0.0476","","","0.1024","0.1267","","","","","","0.926","","","","has coordinates","233202","2020-10-21","18:00:00",""
"7235647","12.2168","0.0005","8.6679","0.0003","12.9252","0.0005","90","","98.611","0.002","90","","1353.27","0.09","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H21 N -","- C17 H21 N -","- C68 H84 N4 -","4","1","","Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence","Deproto-metallation using mixed lithium‒zinc and lithium‒copper bases and computed CH acidity of 2-substituted quinolines","RSC Adv.","2014","4","38","19602","","10.1039/C4RA02583K","","x-ray","0.71073","MoKα","","0.0546","0.0406","","","0.107","0.1166","","","","","","1.029","","","","has coordinates","233204","2020-10-21","18:00:00",""
"7235648","11.1278","0.0003","12.2969","0.0004","18.309","0.0006","90","","90","","90","","2505.36","0.13","150","2","150","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C15 H10 I N -","- C15 H10 I N -","- C120 H80 I8 N8 -","8","1","","Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence","Deproto-metallation using mixed lithium‒zinc and lithium‒copper bases and computed CH acidity of 2-substituted quinolines","RSC Adv.","2014","4","38","19602","","10.1039/C4RA02583K","","x-ray","0.71073","MoKα","","0.042","0.0295","","","0.0607","0.0656","","","","","","1.031","","","","has coordinates","233204","2020-10-21","18:00:00",""
"7235649","6.0678","0.0002","9.6385","0.0003","19.7538","0.0005","90","","94.117","0.001","90","","1152.31","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 I N S -","- C13 H8 I N S -","- C52 H32 I4 N4 S4 -","4","1","","Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence","Deproto-metallation using mixed lithium‒zinc and lithium‒copper bases and computed CH acidity of 2-substituted quinolines","RSC Adv.","2014","4","38","19602","","10.1039/C4RA02583K","","x-ray","0.71073","MoKα","","0.0239","0.0207","","","0.0457","0.0469","","","","","","1.053","","","","has coordinates","233204","2020-10-21","18:00:00",""
"7235650","4.1495","0.0002","12.4526","0.0005","25.0266","0.0009","90","","90.217","0.002","90","","1293.17","0.09","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 I2 N S -","- C13 H7 I2 N S -","- C52 H28 I8 N4 S4 -","4","1","","Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence","Deproto-metallation using mixed lithium‒zinc and lithium‒copper bases and computed CH acidity of 2-substituted quinolines","RSC Adv.","2014","4","38","19602","","10.1039/C4RA02583K","","x-ray","0.71073","MoKα","","0.0323","0.0259","","","0.0698","0.0944","","","","","","1.311","","","","has coordinates","233204","2020-10-21","18:00:00",""
"7235651","7.6161","0.0004","10.4578","0.0004","20.7837","0.0008","90","","98.336","0.002","90","","1637.88","0.12","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl N O -","- C22 H14 Cl N O -","- C88 H56 Cl4 N4 O4 -","4","1","","Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence","Deproto-metallation using mixed lithium‒zinc and lithium‒copper bases and computed CH acidity of 2-substituted quinolines","RSC Adv.","2014","4","38","19602","","10.1039/C4RA02583K","","x-ray","0.71073","MoKα","","0.0541","0.0402","","","0.0924","0.099","","","","","","1.052","","","","has coordinates","233204","2020-10-21","18:00:00",""
"7235652","12.2577","0.0004","7.6576","0.0002","20.6631","0.0007","90","","102.237","0.001","90","","1895.47","0.1","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Cl N O -","- C26 H16 Cl N O -","- C104 H64 Cl4 N4 O4 -","4","1","","Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence","Deproto-metallation using mixed lithium‒zinc and lithium‒copper bases and computed CH acidity of 2-substituted quinolines","RSC Adv.","2014","4","38","19602","","10.1039/C4RA02583K","","x-ray","0.71073","MoKα","","0.0598","0.043","","","0.1087","0.1203","","","","","","1.008","","","","has coordinates","233204","2020-10-21","18:00:00",""
"7235653","11.9851","0.0004","8.0059","0.0003","16.6683","0.0008","90","","110.626","0.001","90","","1496.83","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 N O -","- C22 H13 N O -","- C88 H52 N4 O4 -","4","1","","Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence","Deproto-metallation using mixed lithium‒zinc and lithium‒copper bases and computed CH acidity of 2-substituted quinolines","RSC Adv.","2014","4","38","19602","","10.1039/C4RA02583K","","x-ray","0.71073","MoKα","","0.0571","0.0422","","","0.107","0.1158","","","","","","1.046","","","","has coordinates","233204","2020-10-21","18:00:00",""
"7235654","12.3309","0.0007","12.331","","12.331","","90","","90","","90","","1874.96","0.11","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C3 H7 Mn N O6 -","- C3 H7.8 Mn N O6 -","- C24 H62.4 Mn8 N8 O48 -","8","0.166667","","Liu, Jian-Qiang; Wu, Jian; Wang, Jun; Lu, Lu; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier; Sakiyama, Hiroshi; Weng, Ng Seik; Zeller, Matthias","Temperature identification on two 3D Mn(ii) metal‒organic frameworks: syntheses, adsorption and magnetism","RSC Advances","2014","4","39","20605","","10.1039/c4ra02609h","","","0.71073","MoKα","","0.0606","0.0556","","","0.1743","0.2017","","","","","","1.233","","","","has coordinates,has disorder","233205","2020-10-21","18:00:00",""
"7235655","8.9042","0.0011","12.7757","0.0016","9.2004","0.0011","90","","90","","90","","1046.6","0.2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15.33 Mn N O6 -","- C7 H15.33 Mn N O6 -","- C28 H61.32 Mn4 N4 O24 -","4","0.5","","Liu, Jian-Qiang; Wu, Jian; Wang, Jun; Lu, Lu; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier; Sakiyama, Hiroshi; Weng, Ng Seik; Zeller, Matthias","Temperature identification on two 3D Mn(ii) metal‒organic frameworks: syntheses, adsorption and magnetism","RSC Advances","2014","4","39","20605","","10.1039/c4ra02609h","","","0.71073","MoKα","","0.021","0.0198","","","0.0533","0.0539","","","","","","1.209","","","","has coordinates,has disorder","233205","2020-10-21","18:00:00",""
"7235656","12.8591","0.0002","14.2792","0.0002","15.229","0.0002","90","","90","","90","","2796.31","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,3,4-Tri-<i>O</i>-acetyl-β-L-rhamnopyranosyl)-3,3-diphenylindolin-2-one","","- C32 H31 N O8 -","- C32 H31 N O8 -","- C128 H124 N4 O32 -","4","1","","Kleeblatt, Dennis; Cordes, Christoph A.; Lebrenz, Philipp; Hein, Martin; Feist, Holger; Matin, Abdul; Raza, Rabia; Iqbal, Jamshed; Munshi, Omar; Rahman, Qamar; Villinger, Alexander; Langer, Peter","Synthesis and antiproliferative activity of N-glycosyl-3,3-diaryloxindoles","RSC Advances","2014","4","44","22828","","10.1039/c4ra02627f","","","0.71073","MoKα","","0.0601","0.04","","","0.0868","0.094","","","","","","1.052","","","","has coordinates,has disorder","233206","2020-10-21","18:00:00",""
"7235657","20.1061","0.0007","12.6303","0.0003","21.1101","0.0007","90","","110.769","0.004","90","","5012.5","0.3","149.9","","149.9","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 Dy2 K8 Na4 O110 Si2 W22 -","- C4 Dy2 K8 Na4 O110 Si2 W22 -","- C8 Dy4 K16 Na8 O220 Si4 W44 -","2","0.5","","Saini, Mukesh Kumar; Gupta, Rakesh; Parbhakar, Swati; Kumar Mishra, Anil; Mathur, Rashi; Hussain, Firasat","Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties","RSC Adv.","2014","4","48","25357","","10.1039/C4RA02751E","","","0.71073","MoKα","","0.065","0.0515","","","0.1015","0.1074","","","","","","1.0515","","","","has coordinates","233208","2020-10-21","18:00:00",""
"7235658","20.0503","0.0006","12.634","0.0002","21.0876","0.0005","90","","110.788","0.003","90","","4994.1","0.2","149.3","","149.3","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 Er2 K8 Na4 O110 Si2 W22 -","- C4 Er2 K8 Na4 O110 Si2 W22 -","- C8 Er4 K16 Na8 O220 Si4 W44 -","2","0.5","","Saini, Mukesh Kumar; Gupta, Rakesh; Parbhakar, Swati; Kumar Mishra, Anil; Mathur, Rashi; Hussain, Firasat","Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties","RSC Adv.","2014","4","48","25357","","10.1039/C4RA02751E","","","0.71073","MoKα","","0.051","0.0449","","","0.105","0.1086","","","","","","1.0307","","","","has coordinates","233208","2020-10-21","18:00:00",""
"7235659","20.1241","0.0006","12.6661","0.0003","21.1544","0.0005","90","","110.377","0.003","90","","5054.7","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 Eu2 K8 Na4 O110 Si2 W22 -","- C4 Eu2 K8 Na4 O110 Si2 W22 -","- C8 Eu4 K16 Na8 O220 Si4 W44 -","2","0.5","","Saini, Mukesh Kumar; Gupta, Rakesh; Parbhakar, Swati; Kumar Mishra, Anil; Mathur, Rashi; Hussain, Firasat","Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties","RSC Adv.","2014","4","48","25357","","10.1039/C4RA02751E","","","0.71073","MoKα","","0.0626","0.0561","","","0.1334","0.1364","","","","","","1.0266","","","","has coordinates","233208","2020-10-21","18:00:00",""
"7235660","20.0905","0.0006","12.6729","0.0003","21.0974","0.0006","90","","110.47","0.003","90","","5032.3","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 Gd2 K8 Na4 O110 Si2 W22 -","- C4 Gd2 K8 Na4 O110 Si2 W22 -","- C8 Gd4 K16 Na8 O220 Si4 W44 -","2","0.5","","Saini, Mukesh Kumar; Gupta, Rakesh; Parbhakar, Swati; Kumar Mishra, Anil; Mathur, Rashi; Hussain, Firasat","Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties","RSC Adv.","2014","4","48","25357","","10.1039/C4RA02751E","","","0.71073","MoKα","","0.0593","0.052","","","0.116","0.1202","","","","","","1.0369","","","","has coordinates","233208","2020-10-21","18:00:00",""
"7235661","20.0715","0.0006","12.6297","0.0004","21.0663","0.0007","90","","110.526","0.004","90","","5001.2","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 Ho2 K8 Na4 O110 Si2 W22 -","- C4 Ho2 K8 Na4 O110 Si2 W22 -","- C8 Ho4 K16 Na8 O220 Si4 W44 -","2","0.5","","Saini, Mukesh Kumar; Gupta, Rakesh; Parbhakar, Swati; Kumar Mishra, Anil; Mathur, Rashi; Hussain, Firasat","Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties","RSC Adv.","2014","4","48","25357","","10.1039/C4RA02751E","","","0.71073","MoKα","","0.0568","0.0533","","","0.1367","0.1383","","","","","","1.0145","","","","has coordinates","233208","2020-10-21","18:00:00",""
"7235662","20.1394","0.0008","12.6367","0.0004","21.1096","0.0008","90","","110.718","0.004","90","","5024.9","0.3","149.9","","149.9","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 K8 Na4 O110 Si2 Tb2 W22 -","- C4 K8 Na4 O110 Si2 Tb2 W22 -","- C8 K16 Na8 O220 Si4 Tb4 W44 -","2","0.5","","Saini, Mukesh Kumar; Gupta, Rakesh; Parbhakar, Swati; Kumar Mishra, Anil; Mathur, Rashi; Hussain, Firasat","Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties","RSC Adv.","2014","4","48","25357","","10.1039/C4RA02751E","","","0.71073","MoKα","","0.0524","0.0407","","","0.0715","0.0754","","","","","","1.0501","","","","has coordinates","233208","2020-10-21","18:00:00",""
"7235663","20.079","0.0011","12.6152","0.0004","21.0766","0.0011","90","","110.904","0.007","90","","4987.3","0.5","180.1","","180.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 K8 Na4 O110 Si2 Tm2 W22 -","- C4 K8 Na4 O110 Si2 Tm2 W22 -","- C8 K16 Na8 O220 Si4 Tm4 W44 -","2","0.5","","Saini, Mukesh Kumar; Gupta, Rakesh; Parbhakar, Swati; Kumar Mishra, Anil; Mathur, Rashi; Hussain, Firasat","Dimeric complexes of rare-earth substituted Keggin-type silicotungstates: syntheses, crystal structure and solid state properties","RSC Adv.","2014","4","48","25357","","10.1039/C4RA02751E","","","0.71073","MoKα","","0.0826","0.0662","","","0.1358","0.1442","","","","","","1.0438","","","","has coordinates","233208","2020-10-21","18:00:00",""
"7235664","13.28","0.002","13.28","0.002","13.533","0.003","90","","90","","90","","2386.7","0.7","293","2","293","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C8 H3 Br N8 O Zn -","- C8 H3 Br N8 O Zn -","- C64 H24 Br8 N64 O8 Zn8 -","8","0.5","","He, Hongming; Sun, Fuxing; Zhao, Nian; Yuan, Rongrong; Zhu, Guangshan","Three novel zinc(ii) metal‒organic frameworks based on three tetrazolate ligands: synthesis, structures and photoluminescence","RSC Adv.","2014","4","41","21535","","10.1039/C4RA02872D","","","0.71073","MoKα","","0.0496","0.0331","","","0.0871","0.0954","","","","","","1.079","","","","has coordinates","233210","2020-10-21","18:00:00",""
"7235665","18.8708","0.0007","18.8708","0.0007","52.615","0.004","90","","90","","120","","16226.3","1.5","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C30 H6 N60 Zn5 -","- C30 H6 N60 Zn5 -","- C180 H36 N360 Zn30 -","6","0.166667","","He, Hongming; Sun, Fuxing; Zhao, Nian; Yuan, Rongrong; Zhu, Guangshan","Three novel zinc(ii) metal‒organic frameworks based on three tetrazolate ligands: synthesis, structures and photoluminescence","RSC Adv.","2014","4","41","21535","","10.1039/C4RA02872D","","","0.71073","MoKα","","0.0799","0.0498","","","0.1621","0.1749","","","","","","1.133","","","","has coordinates","233210","2020-10-21","18:00:00",""
"7235666","11.9967","0.0011","13.2295","0.0012","7.0045","0.0007","90","","92.472","0.001","90","","1110.65","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 N9 O3 Zn -","- C7 H3 N9 O3 Zn -","- C28 H12 N36 O12 Zn4 -","4","1","","He, Hongming; Sun, Fuxing; Zhao, Nian; Yuan, Rongrong; Zhu, Guangshan","Three novel zinc(ii) metal‒organic frameworks based on three tetrazolate ligands: synthesis, structures and photoluminescence","RSC Adv.","2014","4","41","21535","","10.1039/C4RA02872D","","","0.71073","MoKα","","0.0464","0.0375","","","0.1169","0.1235","","","","","","1.085","","","","has coordinates","233210","2020-10-21","18:00:00",""
"7235667","11.151","0.003","12.316","0.003","13.284","0.004","90","","102.498","0.016","90","","1781.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Cl2 N4 Ru S -","- C15 H18 Cl2 N4 Ru S -","- C60 H72 Cl8 N16 Ru4 S4 -","4","1","","Mitra, Raja; Samuelson, Ashoka G.","Mitigating UVA light induced reactivity of 6-thioguanine through formation of a Ru(ii) half-sandwich complex","RSC Adv.","2014","4","46","24304","","10.1039/C4RA02960G","","","0.71073","MoKα","","0.2041","0.0664","","","0.0769","0.1025","","","","","","0.961","","","","has coordinates","233212","2020-10-21","18:00:00",""
"7235668","11.282","0.005","12.335","0.005","13.697","0.005","90","0.005","101.374","0.005","90","0.005","1868.7","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Br2 N4 Ru S -","- C15 H18 Br2 N4 Ru S -","- C60 H72 Br8 N16 Ru4 S4 -","4","1","","Mitra, Raja; Samuelson, Ashoka G.","Mitigating UVA light induced reactivity of 6-thioguanine through formation of a Ru(ii) half-sandwich complex","RSC Adv.","2014","4","46","24304","","10.1039/C4RA02960G","","","0.71073","MoKα","","0.1108","0.0463","","","0.087","0.1046","","","","","","0.968","","","","has coordinates","233212","2020-10-21","18:00:00",""
"7235669","12.222","0.005","13.369","0.005","17.069","0.005","68.138","0.005","73.503","0.005","68.533","0.005","2373.4","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H26 Cl2 N6 O Ru S -","- C18 H26 Cl2 N6 O Ru S -","- C72 H104 Cl8 N24 O4 Ru4 S4 -","4","2","","Mitra, Raja; Samuelson, Ashoka G.","Mitigating UVA light induced reactivity of 6-thioguanine through formation of a Ru(ii) half-sandwich complex","RSC Adv.","2014","4","46","24304","","10.1039/C4RA02960G","","","0.71073","MoKα","","0.0887","0.0446","","","0.1048","0.1259","","","","","","1.014","","","","has coordinates","233212","2020-10-21","18:00:00",""
"7235670","17.1507","0.0005","7.778","0.0002","24.0381","0.0008","90","","106.298","0.003","90","","3077.78","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 Cl Ir N2 O -","- C33 H44 Cl Ir N2 O -","- C132 H176 Cl4 Ir4 N8 O4 -","4","1","","Gülcemal, Derya; Gökçe, Aytaç Gürhan; Gülcemal, Süleyman; Çetinkaya, Bekir","Hydroxyl and ester functionalized N-heterocyclic carbene complexes of iridium(i): efficient catalysts for transfer hydrogenation reactions","RSC Adv.","2014","4","50","26222","","10.1039/C4RA02993C","","","0.71073","MoKα","","0.07","0.0425","","","0.0803","0.0925","","","","","","1.023","","","","has coordinates","233214","2020-10-21","18:00:00",""
"7235671","15.8455","0.0005","12.8111","0.0004","18.117","0.0005","90","","110.4","0.003","90","","3447.06","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 Cl Ir N2 O2 -","- C37 H50 Cl Ir N2 O2 -","- C148 H200 Cl4 Ir4 N8 O8 -","4","1","","Gülcemal, Derya; Gökçe, Aytaç Gürhan; Gülcemal, Süleyman; Çetinkaya, Bekir","Hydroxyl and ester functionalized N-heterocyclic carbene complexes of iridium(i): efficient catalysts for transfer hydrogenation reactions","RSC Adv.","2014","4","50","26222","","10.1039/C4RA02993C","","","0.71073","MoKα","","0.0577","0.0356","","","0.0729","0.0801","","","","","","0.979","","","","has coordinates","233214","2020-10-21","18:00:00",""
"7235672","15.8134","0.0006","13.332","0.0004","18.0822","0.0006","90","","111.855","0.004","90","","3538.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Cl Ir N2 O2 -","- C38 H52 Cl Ir N2 O2 -","- C152 H208 Cl4 Ir4 N8 O8 -","4","1","","Gülcemal, Derya; Gökçe, Aytaç Gürhan; Gülcemal, Süleyman; Çetinkaya, Bekir","Hydroxyl and ester functionalized N-heterocyclic carbene complexes of iridium(i): efficient catalysts for transfer hydrogenation reactions","RSC Adv.","2014","4","50","26222","","10.1039/C4RA02993C","","","0.71073","MoKα","","0.0388","0.0259","","","0.0504","0.0549","","","","","","1.014","","","","has coordinates","233214","2020-10-21","18:00:00",""
"7235673","12.07","0.005","11.426","0.005","10.93","0.005","90","0.005","102.079","0.005","90","0.005","1474","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","monoclinic","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Cao, Yuanle; Xi, Wengang; Wang, Lianke; Wang, Huizhen; Kong, Lin; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Reversible piezofluorochromic nature and mechanism of aggregation-induced emission-active compounds based on simple modification","RSC Adv.","2014","4","47","24649","","10.1039/C4RA03042G","","","0.71069","MoKα","","0.0462","0.039","","","0.1074","0.1155","","","","","","0.998","","","","has coordinates","233216","2020-10-21","18:00:00",""
"7235674","14.6029","0.0019","7.8062","0.001","17.686","0.002","90","","97.712","0.001","90","","1997.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Cao, Yuanle; Xi, Wengang; Wang, Lianke; Wang, Huizhen; Kong, Lin; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Reversible piezofluorochromic nature and mechanism of aggregation-induced emission-active compounds based on simple modification","RSC Adv.","2014","4","47","24649","","10.1039/C4RA03042G","","","0.71073","MoKα","","0.0544","0.049","","","0.1208","0.1291","","","","","","1.048","","","","has coordinates","233216","2020-10-21","18:00:00",""
"7235675","7.036","0.005","15.938","0.011","16.115","0.011","90","","95.219","0.008","90","","1800","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C88 H60 N12 -","4","1","","Cao, Yuanle; Xi, Wengang; Wang, Lianke; Wang, Huizhen; Kong, Lin; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Reversible piezofluorochromic nature and mechanism of aggregation-induced emission-active compounds based on simple modification","RSC Adv.","2014","4","47","24649","","10.1039/C4RA03042G","","","0.71073","MoKα","","0.0598","0.0428","","","0.1272","0.146","","","","","","0.988","","","","has coordinates","233216","2020-10-21","18:00:00",""
"7235676","16.829","0.004","21.25","0.006","7.2108","0.0019","90","","90","","90","","2578.7","1.2","173","2","173","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C32 H32 Cd3 Cl6 N16 -","- C32 H32 Cd3 Cl6 N16 -","- C64 H64 Cd6 Cl12 N32 -","2","0.5","","Xu, Yao Yao; Wu, Xiang Xia; Wang, You You; Su, Xiu Mei; Liu, Shi Xin; Zhu, Zhao Zhou; Ding, Bin; Wang, Ying; Huo, Jian Zhong; Du, Gui Xiang","Hydrothermal syntheses of a series of cluster-based micro-porous luminescent cadmium(ii) metal‒organic frameworks with 4-amino-benzene-1,2,4-triazole: topological diversity, gas absorption and photo-luminescent characterization","RSC Advances","2014","4","48","25172","","10.1039/c4ra03077j","","","0.71073","MoKα","","0.0854","0.0542","","","0.0893","0.0965","","","","","","0.997","","","","has coordinates","233218","2020-10-21","18:00:00",""
"7235677","38.46","0.01","8.626","0.002","14.826","0.004","90","","99.161","0.004","90","","4856","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Br4 Cd2 N8 O1.05 -","- C16 H16 Br4 Cd2 N8 O1.05 -","- C128 H128 Br32 Cd16 N64 O8.4 -","8","1","","Xu, Yao Yao; Wu, Xiang Xia; Wang, You You; Su, Xiu Mei; Liu, Shi Xin; Zhu, Zhao Zhou; Ding, Bin; Wang, Ying; Huo, Jian Zhong; Du, Gui Xiang","Hydrothermal syntheses of a series of cluster-based micro-porous luminescent cadmium(ii) metal‒organic frameworks with 4-amino-benzene-1,2,4-triazole: topological diversity, gas absorption and photo-luminescent characterization","RSC Advances","2014","4","48","25172","","10.1039/c4ra03077j","","","0.71073","MoKα","","0.1041","0.0529","","","0.0918","0.1089","","","","","","1.007","","","","has coordinates","233218","2020-10-21","18:00:00",""
"7235678","9.4335","0.0013","18.353","0.003","32.499","0.005","90","","95.807","0.002","90","","5597.8","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42.96 Cd3 I6 N20 O1.48 -","- C40 H40 Cd3 I6 N20 O1.48 -","- C160 H160 Cd12 I24 N80 O5.92 -","4","1","","Xu, Yao Yao; Wu, Xiang Xia; Wang, You You; Su, Xiu Mei; Liu, Shi Xin; Zhu, Zhao Zhou; Ding, Bin; Wang, Ying; Huo, Jian Zhong; Du, Gui Xiang","Hydrothermal syntheses of a series of cluster-based micro-porous luminescent cadmium(ii) metal‒organic frameworks with 4-amino-benzene-1,2,4-triazole: topological diversity, gas absorption and photo-luminescent characterization","RSC Advances","2014","4","48","25172","","10.1039/c4ra03077j","","","0.71073","MoKα","","0.0708","0.0459","","","0.1005","0.1117","","","","","","1.015","","","","has coordinates","233218","2020-10-21","18:00:00",""
"7235679","10.5418","0.0005","16.8661","0.0008","14.0774","0.0007","90","","92.525","0.001","90","","2500.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H54 Mo10 N10 O46 -","- C8 H54 Mo10 N10 O46 -","- C16 H108 Mo20 N20 O92 -","2","0.5","","Chen, Quan-Liang; Huang, Wei; Chen, Mao-Long; Lin, Jing; Cao, Ze-Xing; Zhou, Zhao-Hui","Transformations and reductions of γ-octamolybdates with their monomeric and dimeric amino polycarboxylates","RSC Adv.","2014","4","50","26499","","10.1039/C4RA03125C","","","0.71073","MoKα","","0.0561","0.0472","","","0.0991","0.1035","","","","","","1.106","","","","has coordinates","233220","2020-10-21","18:00:00",""
"7235680","10.3517","0.0004","11.2044","0.0003","11.3559","0.0003","95.776","0.002","95.67","0.003","92.794","0.003","1301.72","0.07","446","2","446","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H17 K4 Mo5 N O25 -","- C4 H17 K4 Mo5 N O25 -","- C8 H34 K8 Mo10 N2 O50 -","2","1","","Chen, Quan-Liang; Huang, Wei; Chen, Mao-Long; Lin, Jing; Cao, Ze-Xing; Zhou, Zhao-Hui","Transformations and reductions of γ-octamolybdates with their monomeric and dimeric amino polycarboxylates","RSC Adv.","2014","4","50","26499","","10.1039/C4RA03125C","","","0.71073","MoKα","","0.0281","0.0216","","","0.0586","0.0625","","","","","","0.813","","","","has coordinates","233220","2020-10-21","18:00:00",""
"7235681","6.7791","0.0003","12.8945","0.0006","14.1217","0.0007","109.542","0.001","90.903","0.001","103.527","0.001","1125.08","0.09","446","2","446","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H32 Mo2 N6 O17 -","- C8 H28 Mo2 N6 O17 -","- C16 H56 Mo4 N12 O34 -","2","1","","Chen, Quan-Liang; Huang, Wei; Chen, Mao-Long; Lin, Jing; Cao, Ze-Xing; Zhou, Zhao-Hui","Transformations and reductions of γ-octamolybdates with their monomeric and dimeric amino polycarboxylates","RSC Adv.","2014","4","50","26499","","10.1039/C4RA03125C","","","0.71073","MoKα","","0.0325","0.0311","","","0.0777","0.0788","","","","","","1.051","","","","has coordinates","233220","2020-10-21","18:00:00",""
"7235682","7.1046","0.0001","15.0877","0.0004","25.2185","0.0005","90","","91.879","0.002","90","","2701.77","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H38 Cl Mo2 N7 O16 -","- C11 H38 Cl Mo2 N7 O16 -","- C44 H152 Cl4 Mo8 N28 O64 -","4","1","","Chen, Quan-Liang; Huang, Wei; Chen, Mao-Long; Lin, Jing; Cao, Ze-Xing; Zhou, Zhao-Hui","Transformations and reductions of γ-octamolybdates with their monomeric and dimeric amino polycarboxylates","RSC Adv.","2014","4","50","26499","","10.1039/C4RA03125C","","","0.71073","MoKα","","0.0525","0.0436","","","0.1093","0.1155","","","","","","1.005","","","","has coordinates","233220","2020-10-21","18:00:00",""
"7235683","6.7798","0.001","12.993","0.002","14.072","0.002","104.655","0.013","90.484","0.012","94.979","0.012","1194.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H20 K4 Mo2 N2 O17 -","- C11 H14 K4 Mo2 N2 O17 -","- C22 H28 K8 Mo4 N4 O34 -","2","1","","Chen, Quan-Liang; Huang, Wei; Chen, Mao-Long; Lin, Jing; Cao, Ze-Xing; Zhou, Zhao-Hui","Transformations and reductions of γ-octamolybdates with their monomeric and dimeric amino polycarboxylates","RSC Adv.","2014","4","50","26499","","10.1039/C4RA03125C","","","0.71073","MoKα","","0.079","0.0397","","","0.0655","0.0703","","","","","","0.771","","","","has coordinates","233220","2020-10-21","18:00:00",""
"7235684","9.5129","0.0006","11.3042","0.0006","14.8647","0.001","90","","107.488","0.007","90","","1524.6","0.17","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C0 H32 Mo8 N6 O31 -","- H32 Mo8 N6 O31 -","- H64 Mo16 N12 O62 -","2","0.5","","Chen, Quan-Liang; Huang, Wei; Chen, Mao-Long; Lin, Jing; Cao, Ze-Xing; Zhou, Zhao-Hui","Transformations and reductions of γ-octamolybdates with their monomeric and dimeric amino polycarboxylates","RSC Adv.","2014","4","50","26499","","10.1039/C4RA03125C","","","0.71073","MoKα","","0.0781","0.049","","","0.0892","0.1123","","","","","","1.068","","","","has coordinates","233220","2020-10-21","18:00:00",""
"7235685","8.2533","0.0009","8.3054","0.001","10.2054","0.0011","104.687","0.01","105.91","0.01","109.499","0.01","586.44","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- H5 Mo4 N0.5 O15 -","- H5 Mo4 N2 O13 -","- H10 Mo8 N4 O26 -","2","1","","Chen, Quan-Liang; Huang, Wei; Chen, Mao-Long; Lin, Jing; Cao, Ze-Xing; Zhou, Zhao-Hui","Transformations and reductions of γ-octamolybdates with their monomeric and dimeric amino polycarboxylates","RSC Adv.","2014","4","50","26499","","10.1039/C4RA03125C","","","0.71073","MoKα","","0.0495","0.0384","","","0.0816","0.0883","","","","","","1.007","","","","has coordinates","233220","2020-10-21","18:00:00",""
"7235686","12.0129","0.0013","13.4609","0.0014","22.928","0.002","94.684","0.003","91.243","0.003","102.218","0.002","3608.6","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H39 N5 O4 -","- C39 H39 N5 O4 -","- C156 H156 N20 O16 -","4","2","","Goswami, Shyamaprosad; Das, Sangita; Aich, Krishnendu; Nandi, Prasanta Kumar; Ghoshal, Kakali; Quah, Ching Kheng; Bhattacharyya, Maitree; Fun, Hoong-Kun; Abdel-Aziz, Hatem A.","A rhodamine‒quinoline based chemodosimeter capable of recognising endogenous OCl− in human blood cells","RSC Adv.","2014","4","47","24881","","10.1039/C4RA03200D","","","0.71073","MoKα","","0.1601","0.066","","","0.1638","0.2346","","","","","","1.019","","","","has coordinates,has disorder","233222","2020-10-21","18:00:00",""
"7235687","7.6235","0.0009","10.5395","0.0012","13.1263","0.0016","110.467","0.003","92.997","0.003","96.593","0.003","976.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N O4 -","- C26 H19 N O4 -","- C52 H38 N2 O8 -","2","1","","Bagdi, Avik Kumar; Hajra, Alakananda","Brønsted acidic ionic liquid catalyzed tandem reaction of 4-hydroxy-1-methyl-2-quinolone with chalcone: regioselective synthesis of pyrano[3,2-c]quinolin-2-ones","RSC Adv.","2014","4","44","23287","","10.1039/C4RA03221G","","","0.71073","MoKα","","0.0603","0.0464","","","0.122","0.1346","","","","","","1.035","","","","has coordinates","233224","2020-10-21","18:00:00",""
"7235688","7.76","0.03","9.31","0.03","21.48","0.08","90","","90","","90","","1552","10","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 F3 N2 O4 S -","- C11 H19 F3 N2 O4 S -","- C44 H76 F12 N8 O16 S4 -","4","1","","Wan, Wen; Gao, Wei; Ma, Guobin; Ma, Lei; Wang, Fan; Wang, Jing; Jiang, Haizhen; Zhu, Shizheng; Hao, Jian","Asymmetric aldol reaction organocatalyzed by bifunctional N-prolyl sulfinamides under solvent-free conditions","RSC Adv.","2014","4","51","26563","","10.1039/C4RA03362K","","","0.71073","MoKα","","0.0408","0.0346","","","0.0824","0.0865","","","","","","1.012","","","","has coordinates","233226","2020-10-21","18:00:00",""
"7235689","18.6306","0.0007","9.8545","0.0004","23.3346","0.0009","90","","99.229","0.001","90","","4228.7","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O3 -","- C27 H20 N2 O3 -","- C216 H160 N16 O24 -","8","1","","Pathak, Sudipta; Debnath, Kamalesh; Mollick, Md. Masud Rahaman; Pramanik, Animesh","Facile cyclization in the synthesis of highly fused diaza cyclooctanoid compounds using retrievable nano magnetite-supported sulfonic acid catalyst","RSC Adv.","2014","4","45","23779","","10.1039/C4RA03384A","","","0.71073","MoKα","","0.1082","0.0549","","","0.1315","0.1549","","","","","","0.992","","","","has coordinates","233227","2020-10-21","18:00:00",""
"7235690","18.825","0.004","10.152","0.002","23.818","0.005","90","","102.299","0.003","90","","4447.4","1.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N2 O3 -","- C28 H22 N2 O3 -","- C224 H176 N16 O24 -","8","1","","Pathak, Sudipta; Debnath, Kamalesh; Mollick, Md. Masud Rahaman; Pramanik, Animesh","Facile cyclization in the synthesis of highly fused diaza cyclooctanoid compounds using retrievable nano magnetite-supported sulfonic acid catalyst","RSC Adv.","2014","4","45","23779","","10.1039/C4RA03384A","","","0.71073","MoKα","","0.0783","0.0506","","","0.1373","0.1564","","","","","","0.984","","","","has coordinates","233227","2020-10-21","18:00:00",""
"7235691","19.479","0.003","10.6597","0.0018","24.687","0.004","90","","106.835","0.002","90","","4906.3","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 Cl N2 O3 -","- C31 H25 Cl N2 O3 -","- C248 H200 Cl8 N16 O24 -","8","1","","Pathak, Sudipta; Debnath, Kamalesh; Mollick, Md. Masud Rahaman; Pramanik, Animesh","Facile cyclization in the synthesis of highly fused diaza cyclooctanoid compounds using retrievable nano magnetite-supported sulfonic acid catalyst","RSC Adv.","2014","4","45","23779","","10.1039/C4RA03384A","","","0.71073","MoKα","","0.0661","0.0466","","","0.1196","0.1335","","","","","","0.971","","","","has coordinates","233227","2020-10-21","18:00:00",""
"7235692","7.175","0.0014","7.202","0.0014","7.856","0.0016","66.12","0.03","65.34","0.03","68.51","0.03","327.69","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C H6 N6 O5 -","- C H6 N6 O5 -","- C2 H12 N12 O10 -","2","1","","Jin, Xinghui; Hu, Bingcheng; Liu, Zuliang; Lv, Chunxu","Structure and properties of 1-amino-2-nitroguanidinium nitrate","RSC Adv.","2014","4","45","23898","","10.1039/C4RA03462G","","","0.71073","MoKα","","0.0466","0.0413","","","0.132","0.1389","","","","","","1","","","","has coordinates","233229","2020-10-21","18:00:00",""
"7235693","10.192","0.004","12.0704","0.0019","12.078","0.0015","91.254","0.012","98.01","0.03","106.54","0.03","1407.5","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Co N4 O5 -","- C28 H32 Co N4 O5 -","- C56 H64 Co2 N8 O10 -","2","1","","Xu, Bo; Sun, Yi-Qiang; Li, Jie; Li, Cun-Cheng","Structural and functional studies on coordination polymers based on 5-tert-butylisophthalic acid and N,N′-bis-(4-pyridylmethyl) piperazine","RSC Advances","2014","4","49","25588","","10.1039/c4ra03569k","","","0.71073","MoKα","","0.0561","0.0453","","","0.1135","0.1231","","","","","","1.056","","","","has coordinates","233230","2020-10-21","18:00:00",""
"7235694","11.0054","0.0003","17.5194","0.0005","19.5049","0.0005","90","","105.175","0.003","90","","3629.57","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 N6 Ni O6 -","- C36 H42 N6 Ni O6 -","- C144 H168 N24 Ni4 O24 -","4","1","","Xu, Bo; Sun, Yi-Qiang; Li, Jie; Li, Cun-Cheng","Structural and functional studies on coordination polymers based on 5-tert-butylisophthalic acid and N,N′-bis-(4-pyridylmethyl) piperazine","RSC Advances","2014","4","49","25588","","10.1039/c4ra03569k","","","0.71073","MoKα","","0.053","0.0433","","","0.1129","0.1204","","","","","","1.058","","","","has coordinates","233230","2020-10-21","18:00:00",""
"7235695","17.0669","0.001","10.2827","0.0007","21.854","0.002","90","","95.664","0.005","90","","3816.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Cd N6 O7 -","- C36 H42 Cd N6 O7 -","- C144 H168 Cd4 N24 O28 -","4","1","","Xu, Bo; Sun, Yi-Qiang; Li, Jie; Li, Cun-Cheng","Structural and functional studies on coordination polymers based on 5-tert-butylisophthalic acid and N,N′-bis-(4-pyridylmethyl) piperazine","RSC Advances","2014","4","49","25588","","10.1039/c4ra03569k","","","0.71073","MoKα","","0.0761","0.0613","","","0.1592","0.1719","","","","","","1.147","","","","has coordinates","233230","2020-10-21","18:00:00",""
"7235696","8.1761","0.0014","8.3698","0.0019","12.1493","0.0014","76.098","0.015","80.854","0.012","89.732","0.016","796.3","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","naphthalane","methyl 4-benzyl-5-methoxynaphthalene-2-carboxylate","","- C20 H18 O3 -","- C20 H18 O3 -","- C40 H36 O6 -","2","1","","Basavaiah, Deevi; Reddy, Daggula Mallikarjuna","The Baylis‒Hillman acetates in organic synthesis: Unprecedented sodium nitrite induced intramolecular Friedel‒Crafts cyclization of secondary nitro compounds","RSC Adv.","2014","4","46","23966","","10.1039/C4RA03573A","","","0.71073","MoKα","","0.0767","0.0535","","","0.1369","0.1566","","","","","","1.003","","","","has coordinates","233232","2020-10-21","18:00:00",""
"7235697","11.092","0.004","17.545","0.006","17.517","0.005","90","","110.638","0.018","90","","3190.2","1.9","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","phenanthrene","methyl 1-phenylphenanthrene-3-carboxylate","","- C22 H16 O2 -","- C22 H16 O2 -","- C176 H128 O16 -","8","2","","Basavaiah, Deevi; Reddy, Daggula Mallikarjuna","The Baylis‒Hillman acetates in organic synthesis: Unprecedented sodium nitrite induced intramolecular Friedel‒Crafts cyclization of secondary nitro compounds","RSC Adv.","2014","4","46","23966","","10.1039/C4RA03573A","","","0.71073","MoKα","","0.0643","0.045","","","0.116","0.1275","","","","","","1.039","","","","has coordinates","233232","2020-10-21","18:00:00",""
"7235698","9.057","0.002","7.6437","0.0018","23.756","0.005","90","","90.458","0.004","90","","1644.6","0.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","phenanthrenes","methyl 4-phenylphenanthrene-2-carboxylate","","- C22 H16 O2 -","- C22 H16 O2 -","- C88 H64 O8 -","4","1","","Basavaiah, Deevi; Reddy, Daggula Mallikarjuna","The Baylis‒Hillman acetates in organic synthesis: Unprecedented sodium nitrite induced intramolecular Friedel‒Crafts cyclization of secondary nitro compounds","RSC Adv.","2014","4","46","23966","","10.1039/C4RA03573A","","","0.71073","MoKα","","0.0848","0.0792","","","0.2351","0.2379","","","","","","1.208","","","","has coordinates","233233","2020-10-21","18:00:00",""
"7235699","8.526","0.006","38.83","0.03","7.91","0.006","90","","94.242","0.014","90","","2612","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","carbazole","methyl 4,9-dimethyl-9H-carbazole-2-carboxylate","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","2","","Basavaiah, Deevi; Reddy, Daggula Mallikarjuna","The Baylis‒Hillman acetates in organic synthesis: Unprecedented sodium nitrite induced intramolecular Friedel‒Crafts cyclization of secondary nitro compounds","RSC Adv.","2014","4","46","23966","","10.1039/C4RA03573A","","","0.71073","MoKα","","0.1333","0.0707","","","0.1665","0.2316","","","","","","1.12","","","","has coordinates","233233","2020-10-21","18:00:00",""
"7235700","12.523","0.002","11.363","0.0019","16.558","0.003","90","","90","","90","","2356.2","0.7","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-2,2,2-trinitro-N-(2,2,2-trinitroethylidene)ethanamine","","- C4 H3 N7 O12 -","- C4 H3 N7 O12 -","- C32 H24 N56 O96 -","8","1","","Gao, Haixiang; Shreeve, Jean'ne M.","Trinitroethyl ‒ a functionality leading to energetic compounds with high nitro content","RSC Advances","2014","4","47","24874","","10.1039/c4ra03885a","","","0.71073","MoKα","","0.0527","0.0319","","","0.0725","0.0826","","","","","","1.029","","","","has coordinates","233236","2020-10-21","18:00:00",""
"7235701","8.1168","0.0012","16.788","0.003","7.9183","0.0012","90","","98.491","0.002","90","","1067.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cd N2 O4 -","- C11 H9 Cd N2 O4 -","- C44 H36 Cd4 N8 O16 -","4","1","","Wu, Guo-Yun; Ren, Yi-Xia; Yin, Zheng; Sun, Feng; Zeng, Ming-Hua; Kurmoo, Mohamedally","Effects of substituent groups on the structures and luminescence properties of 2D/3D CdII complexes with mixed rigid and flexible carboxylate ligands","RSC Adv.","2014","4","46","24183","","10.1039/C4RA04755A","","","0.71073","MoKα","","0.0355","0.0247","","","0.0568","0.0615","","","","","","1.079","","","","has coordinates","233237","2020-10-21","18:00:00",""
"7235702","8.3562","0.0014","9.3356","0.0016","9.3443","0.0016","62.605","0.002","89.857","0.003","85.559","0.003","644.81","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 Cd N2 O5 -","- C12 H13 Cd N2 O5 -","- C24 H26 Cd2 N4 O10 -","2","1","","Wu, Guo-Yun; Ren, Yi-Xia; Yin, Zheng; Sun, Feng; Zeng, Ming-Hua; Kurmoo, Mohamedally","Effects of substituent groups on the structures and luminescence properties of 2D/3D CdII complexes with mixed rigid and flexible carboxylate ligands","RSC Adv.","2014","4","46","24183","","10.1039/C4RA04755A","","","0.71073","MoKα","","0.0297","0.0267","","","0.0786","0.0905","","","","","","1.01","","","","has coordinates","233237","2020-10-21","18:00:00",""
"7235703","8.6033","0.0015","9.0659","0.0016","10.1203","0.0018","74.826","0.003","73.131","0.003","85.128","0.003","729","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Cd N2 O6 -","- C13 H14 Cd N2 O6 -","- C26 H28 Cd2 N4 O12 -","2","1","","Wu, Guo-Yun; Ren, Yi-Xia; Yin, Zheng; Sun, Feng; Zeng, Ming-Hua; Kurmoo, Mohamedally","Effects of substituent groups on the structures and luminescence properties of 2D/3D CdII complexes with mixed rigid and flexible carboxylate ligands","RSC Adv.","2014","4","46","24183","","10.1039/C4RA04755A","","","0.71073","MoKα","","0.03","0.0279","","","0.0767","0.0781","","","","","","1.113","","","","has coordinates","233237","2020-10-21","18:00:00",""
"7235704","20.729","0.003","18.1887","0.0013","17","0.002","90","","105.629","0.014","90","","6172.6","1.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C68 H51 Cu4 N8 O4 S4 -","- C68 H51 Cu4 N8 O4 S4 -","- C272 H204 Cu16 N32 O16 S16 -","4","1","","Joshi, Deepak Kumar; Mishra, Kunj Bihari; Tiwari, Vinod Kumar; Bhattacharya, Subrato","Synthesis, structure, and catalytic activities of new Cu(i) thiocarboxylate complexes","RSC Adv.","2014","4","75","39790","","10.1039/C4RA05290K","","","0.71073","MoKα","","0.2189","0.096","","","0.2125","0.2469","","","","","","0.803","","","","has coordinates","233239","2020-10-21","18:00:00",""
"7235705","11.211","0.005","8.56","0.005","36.116","0.005","90","0.005","98.857","0.005","90","0.005","3425","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 Cu Fe O P2 S -","- C41 H33 Cu Fe O P2 S -","- C164 H132 Cu4 Fe4 O4 P8 S4 -","4","1","","Joshi, Deepak Kumar; Mishra, Kunj Bihari; Tiwari, Vinod Kumar; Bhattacharya, Subrato","Synthesis, structure, and catalytic activities of new Cu(i) thiocarboxylate complexes","RSC Adv.","2014","4","75","39790","","10.1039/C4RA05290K","","","0.71073","MoKα","","0.1329","0.047","","","0.0622","0.0714","","","","","","0.73","","","","has coordinates","233239","2020-10-21","18:00:00",""
"7235706","5.729","0.0011","7.0037","0.001","31.751","0.005","90","","90","","90","","1274","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Cu O S -","- C7 H5 Cu O S -","- C56 H40 Cu8 O8 S8 -","8","1","","Joshi, Deepak Kumar; Mishra, Kunj Bihari; Tiwari, Vinod Kumar; Bhattacharya, Subrato","Synthesis, structure, and catalytic activities of new Cu(i) thiocarboxylate complexes","RSC Adv.","2014","4","75","39790","","10.1039/C4RA05290K","","","0.71073","MoKα","","0.1049","0.0548","","","0.0818","0.0948","","","","","","1.012","","","","has coordinates","233239","2020-10-21","18:00:00",""
"7235707","7.4066","0.0007","9.4392","0.0012","9.7203","0.0013","116.399","0.013","97.846","0.009","90.409","0.009","601.24","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,6-dimethyl-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C28 H24 N4 O2 -","2","1","","Rai, Sunil K.; Khanam, Shaziya; Khanna, Ranjana S.; Tewari, Ashish K.","Cascade synthesis of 2-pyridones using acrylamides and ketones","RSC Adv.","2014","4","83","44141","","10.1039/C4RA06619G","","","0.71073","MoKα","","0.1104","0.0631","","","0.1608","0.2002","","","","","","0.996","","","","has coordinates","233241","2020-10-21","18:00:00",""
"7235708","7.3809","0.0006","8.0626","0.0006","19.9265","0.0012","90","","98.378","0.006","90","","1173.16","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-ethyl-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Rai, Sunil K.; Khanam, Shaziya; Khanna, Ranjana S.; Tewari, Ashish K.","Cascade synthesis of 2-pyridones using acrylamides and ketones","RSC Adv.","2014","4","83","44141","","10.1039/C4RA06619G","","","0.71073","MoKα","","0.1204","0.0683","","","0.1581","0.1905","","","","","","1.024","","","","has coordinates","233241","2020-10-21","18:00:00",""
"7235709","9.3937","0.001","17.428","0.002","18.0482","0.0018","61.217","0.012","78.071","0.009","87.092","0.009","2529.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-chlorophenyl)-5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile","","- C14 H11 Cl N2 O -","- C14 H11 Cl N2 O -","- C112 H88 Cl8 N16 O8 -","8","4","","Rai, Sunil K.; Khanam, Shaziya; Khanna, Ranjana S.; Tewari, Ashish K.","Cascade synthesis of 2-pyridones using acrylamides and ketones","RSC Adv.","2014","4","83","44141","","10.1039/C4RA06619G","","","0.71073","MoKα","","0.1847","0.0909","","","0.2144","0.25","","","","","","1.001","","","","has coordinates","233241","2020-10-21","18:00:00",""
"7235710","9.7064","0.001","9.7294","0.001","14.4315","0.0014","82.404","0.008","77.082","0.009","75.69","0.009","1282.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-oxo-4-phenyl-6-propyl-1,2-dihydropyridine-3-carbonitrile","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","2","","Rai, Sunil K.; Khanam, Shaziya; Khanna, Ranjana S.; Tewari, Ashish K.","Cascade synthesis of 2-pyridones using acrylamides and ketones","RSC Adv.","2014","4","83","44141","","10.1039/C4RA06619G","","","0.71073","MoKα","","0.1061","0.0574","","","0.1281","0.1556","","","","","","1.029","","","","has coordinates","233241","2020-10-21","18:00:00",""
"7235711","18.021","0.0014","23.0522","0.0017","16.692","0.0013","90","","92.576","0.003","90","","6927.2","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 Cl N O P2 Pt -","- C38.051 H36.204 Cl1.045 N O1.051 P2 Pt -","- C304.408 H289.632 Cl8.36 N8 O8.408 P16 Pt8 -","8","1","","Pasha, Sheik Saleem; Alam, Parvej; Dash, Subhra; Kaur, Gurpreet; Banerjee, Debashree; Chowdhury, Rajdeep; Rath, Nigam; Roy Choudhury, Angshuman; Laskar, Inamur Rahaman","Rare observation of ‘aggregation induced emission’ in cyclometalated platinum(ii) complexes and their biological activities","RSC Adv.","2014","4","92","50549","","10.1039/C4RA06623E","","","0.71073","MoKα","","0.0361","0.0271","","","0.072","0.0767","","","","","","1.056","","","","has coordinates,has disorder","233243","2020-10-21","18:00:00",""
"7235712","13.5079","0.0004","11.104","0.0004","10.4205","0.0003","90","","97.455","0.003","90","","1549.78","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","","Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Métivier, Rémi; Brosseau, Arnaud; Makal, Anna; Woźniak, Krzysztof","Efficient synthesis of pyrene-1-carbothioamides and carboxamides. Tunable solid-state fluorescence of pyrene-1-carboxamides","RSC Adv.","2014","4","99","56003","","10.1039/C4RA07045C","","x-ray","1.54184","CuKα","","0.0492","0.0418","","","0.1136","0.1212","","","","","","1.042","","","","has coordinates","288501","2023-12-22","13:20:54",""
"7235713","12.387","0.003","11.618","0.002","18.866","0.004","90","","90","","90","","2715","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl2 N14 O12 -","- C16 H16 Cl2 N14 O12 -","- C64 H64 Cl8 N56 O48 -","4","0.5","","Wu, Bo; Yang, Hongwei; Wang, Zhixin; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of new energetic derivatives containing a high nitrogen content moiety and picryl group: a new strategy for incorporating the picryl functionality","RSC Adv.","2014","4","95","53282","","10.1039/C4RA08084J","","","0.71073","MoKα","","0.081","0.0566","","","0.1394","0.1549","","","","","","1.041","","","","has coordinates","233246","2020-10-21","18:00:00",""
"7235714","17.6205","0.0013","10.4858","0.0007","15.8252","0.001","90","","111.333","0.003","90","","2723.6","0.3","172","2","172","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N8 O9 -","- C8 H8 N8 O9 -","- C64 H64 N64 O72 -","8","2","","Wu, Bo; Yang, Hongwei; Wang, Zhixin; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of new energetic derivatives containing a high nitrogen content moiety and picryl group: a new strategy for incorporating the picryl functionality","RSC Adv.","2014","4","95","53282","","10.1039/C4RA08084J","","","0.71073","MoKα","","0.1057","0.0477","","","0.088","0.1072","","","","","","1.015","","","","has coordinates","233246","2020-10-21","18:00:00",""
"7235715","24.962","0.003","16.401","0.002","9.4116","0.001","90","","90","","90","","3853.1","0.8","113","2","113","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C15 H8 N10 O10 -","- C15 H8 N10 O10 -","- C120 H64 N80 O80 -","8","1","","Wu, Bo; Yang, Hongwei; Wang, Zhixin; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of new energetic derivatives containing a high nitrogen content moiety and picryl group: a new strategy for incorporating the picryl functionality","RSC Adv.","2014","4","95","53282","","10.1039/C4RA08084J","","","0.71075","MoKα","","0.1149","0.0673","","","0.1507","0.1815","","","","","","0.963","","","","has coordinates","233246","2020-10-21","18:00:00",""
"7235716","20.3483","0.0008","20.3483","0.0008","11.0831","0.0005","90","","90","","90","","4589","0.3","296","2","296","2","","","","","","","","6","I 4","I 4","79","{Cu2(HTyr-N-Dan)4(H2O)2].2(H2O)","","","- C84 H92 Cu2 N8 O24 S4 -","- C84 H84 Cu2 N8 O24 S4 -","- C168 H168 Cu4 N16 O48 S8 -","2","0.25","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","A homochiral luminescent compound with four-fold symmetry as a potential chemosensor for nitroanilines","RSC Adv.","2014","4","88","47249","","10.1039/C4RA08386E","","","0.71073","Mokα","","0.077","0.054","","","0.1467","0.1693","","","","","","1.017","","","","has coordinates","233248","2020-10-21","18:00:00",""
"7235717","7.7369","0.0015","7.9449","0.0016","12.788","0.003","104.35","0.03","97.85","0.03","92.83","0.03","751.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 Cl2 O4 -","- C16 H12 Cl2 O4 -","- C32 H24 Cl4 O8 -","2","1","","Li, Jiang-Sheng; Xue, Yuan; Fu, Dong-Mei; Li, Dao-Lin; Li, Zhi-Wei; Liu, Wei-Dong; Pang, Huai-Lin; Zhang, Yue-Fei; Cao, Zhong; Zhang, Ling","Metal-free DDQ-mediated oxidative C‒O coupling of acetalic sp3C‒H bonds with carboxylic acids","RSC Adv.","2014","4","96","54039","","10.1039/C4RA08627A","","","0.71073","MoKα","","0.0764","0.0445","","","0.0917","0.1075","","","","","","1.01","","","","has coordinates","233250","2020-10-21","18:00:00",""
"7235718","6.8172","0.0002","17.6565","0.0005","17.2653","0.0005","90","","97.966","0.002","90","","2058.13","0.1","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cu N3 O7 -","- C22 H15 Cu N3 O7 -","- C88 H60 Cu4 N12 O28 -","4","1","","Mal, Sunit Kumar; Mitra, Merry; Kaur, Gurpreet; Manikandamathavan, V. M.; Kiran, Manikantan Syamala; Choudhury, Angshuman Roy; Nair, Balachandran Unni; Ghosh, Rajarshi","Nuclease activity and anti-proliferative effect on human cancerous cells of a newly synthesized and characterized mononuclear copper(ii) complex [CuII(L)(fu)2] [L = 2-(2-pyridyl)benzimidazole, fu = furoate]","RSC Adv.","2014","4","106","61337","","10.1039/C4RA09448D","","","0.71073","MoKα","","0.1036","0.0592","","","0.1478","0.1685","","","","","","1.05","","","","has coordinates","233251","2020-10-21","18:00:00",""
"7235719","7.0612","0.0005","17.0603","0.0015","10.3203","0.001","90","","97.42","0.007","90","","1232.84","0.18","292.3","0.7","292.3","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 N3 O3 -","- C10 H17 N3 O3 -","- C40 H68 N12 O12 -","4","1","","Zhu, YuanRong; Li, Hui; Shi, BingBing; Qu, WenJuan; Zhang, YouMing; Lin, Qi; Yao, Hong; Wei, TaiBao","A reversible fluorescent chemosensor for the rapid detection of mercury ions (ii) in water with high sensitivity and selectivity","RSC Adv.","2014","4","106","61320","","10.1039/C4RA09961C","","","0.71073","MoKα","","0.0979","0.0629","","","0.1739","0.2025","","","","","","1.102","","","","has coordinates","233253","2020-10-21","18:00:00",""
"7235720","5.0614","0.0019","17.562","0.006","19.408","0.008","90","","90","","90","","1725.1","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C64 H112 N8 O20 -","4","1","","Chavan, Subhash P.; Chavan, Prakash N.; Gonnade, Rajesh G.","Stereospecific synthetic approach towards Tamiflu using the Ramberg‒Backlund reaction from cysteine hydrochloride","RSC Adv.","2014","4","107","62281","","10.1039/C4RA10391B","","","0.71073","MoKα","","0.1696","0.0967","","","0.2631","0.3175","","","","","","1.016","","","","has coordinates","233255","2020-10-21","18:00:00",""
"7235722","6.658","0.002","13.408","0.004","15.881","0.005","90","","90","","90","","1417.7","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 Cl7 N Nb O -","- C5 H9 Cl7 N Nb O -","- C20 H36 Cl28 N4 Nb4 O4 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A simple route to thermally-stable salts of pyrrolidinium-2-carbonylchloride","RSC Adv.","2014","4","105","60878","","10.1039/C4RA12630K","","","0.71073","MoKα","","0.0259","0.0238","","","0.0492","0.0502","","","","","","1.046","","","","has coordinates","233259","2020-10-21","18:00:00",""
"7235723","7.723","0.0013","11.633","0.002","15.913","0.003","90","","90","","90","","1429.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 Cl7 N O Ta -","- C5 H9 Cl7 N O Ta -","- C20 H36 Cl28 N4 O4 Ta4 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A simple route to thermally-stable salts of pyrrolidinium-2-carbonylchloride","RSC Adv.","2014","4","105","60878","","10.1039/C4RA12630K","","","0.71073","MoKα","","0.0243","0.0236","","","0.0523","0.0527","","","","","","1.053","","","","has coordinates","233259","2020-10-21","18:00:00",""
"7235735","52.5078","0.0017","52.5078","0.0017","52.5078","0.0017","90","","90","","90","","144768","8","100","2","100","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C18 H12 Cu3 O15 -","- C4.58824 H0.806723 Cu0.554622 O2.01681 -","- C4368 H768 Cu528 O1920 -","952","4.95833","","Ahmed, Adham; Hodgson, Nicola; Barrow, Michael; Clowes, Rob; Robertson, Craig M.; Steiner, Alexander; McKeown, Paul; Bradshaw, Darren; Myers, Peter; Zhang, Haifei","Macroporous metal‒organic framework microparticles with improved liquid phase separation","J. Mater. Chem. A","2014","2","24","9085","","10.1039/C4TA00138A","","","0.71073","MoKα","","0.1571","0.1048","","","0.3435","0.3938","","","","","","2.537","","","","has coordinates","233281","2020-10-21","18:00:00",""
"7235736","11.01","0.002","12.821","0.003","12.932","0.003","91.21","0.03","110.33","0.03","106.46","0.03","1627","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H26 Cd N7 O6 -","- C37 H26 Cd N7 O6 -","- C74 H52 Cd2 N14 O12 -","2","1","","Li, Yue; Song, Han; Chen, Qiang; Liu, Kun; Zhao, Fang-Yao; Ruan, Wen-Juan; Chang, Ze","Two coordination polymers with enhanced ligand-centered luminescence and assembly imparted sensing ability for acetone","Journal of Materials Chemistry A","2014","2","25","9469","","10.1039/c4ta00944d","","","0.71073","MoKα","","0.0729","0.051","","","0.0869","0.0936","","","","","","1.077","","","","has coordinates","233283","2020-10-21","18:00:00",""
"7235737","10.39","0.002","15.238","0.003","28.827","0.006","90","","95.33","0.03","90","","4544.2","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H28 Cd N6 O4 -","- C41 H28 Cd N6 O4 -","- C164 H112 Cd4 N24 O16 -","4","1","","Li, Yue; Song, Han; Chen, Qiang; Liu, Kun; Zhao, Fang-Yao; Ruan, Wen-Juan; Chang, Ze","Two coordination polymers with enhanced ligand-centered luminescence and assembly imparted sensing ability for acetone","Journal of Materials Chemistry A","2014","2","25","9469","","10.1039/c4ta00944d","","","0.71073","MoKα","","0.1942","0.0846","","","0.202","0.2437","","","","","","1","","","","has coordinates","233283","2020-10-21","18:00:00",""
"7235738","32.3006","0.0007","32.3006","0.0007","7.2707","0.0002","90","","90","","120","","6569.4","0.3","294","2","294","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- C18 H11 In O7 -","- C18 H11 In O7 -","- C108 H66 In6 O42 -","6","0.25","","Du, Miao; Chen, Min; Yang, Xiao-Gang; Wen, Jiong; Wang, Xi; Fang, Shao-Ming; Liu, Chun-Sen","A channel-type mesoporous In(iii)‒carboxylate coordination framework with high physicochemical stability for use as an electrode material in supercapacitors","J. Mater. Chem. A","2014","2","25","9828","","10.1039/C4TA00963K","","","1.54178","CuKα","","0.1109","0.0936","","","0.1934","0.2003","","","","","","1.138","","","","has coordinates","233285","2020-10-21","18:00:00",""
"7235739","32.182","0.002","32.182","0.002","7.2741","0.0004","90","","90","","120","","6524.3","0.7","294","2","294","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- C18 H11 In O7 -","- C18 H11 In O7 -","- C108 H66 In6 O42 -","6","0.25","","Du, Miao; Chen, Min; Yang, Xiao-Gang; Wen, Jiong; Wang, Xi; Fang, Shao-Ming; Liu, Chun-Sen","A channel-type mesoporous In(iii)‒carboxylate coordination framework with high physicochemical stability for use as an electrode material in supercapacitors","J. Mater. Chem. A","2014","2","25","9828","","10.1039/C4TA00963K","","","1.54178","CuKα","","0.2002","0.1676","","","0.4097","0.4309","","","","","","1.299","","","","has coordinates","233285","2020-10-21","18:00:00",""
"7235740","32.2297","0.0013","32.2297","0.0013","7.2618","0.0004","90","","90","","120","","6532.6","0.5","294","2","294","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- C18 H11 In O7 -","- C18 H11 In O7 -","- C108 H66 In6 O42 -","6","0.25","","Du, Miao; Chen, Min; Yang, Xiao-Gang; Wen, Jiong; Wang, Xi; Fang, Shao-Ming; Liu, Chun-Sen","A channel-type mesoporous In(iii)‒carboxylate coordination framework with high physicochemical stability for use as an electrode material in supercapacitors","J. Mater. Chem. A","2014","2","25","9828","","10.1039/C4TA00963K","","","1.54178","CuKα","","0.1687","0.1063","","","0.2962","0.341","","","","","","1.039","","","","has coordinates","233285","2020-10-21","18:00:00",""
"7235741","12.4915","0.0011","8.6489","0.0007","22.5002","0.0019","90","","90.477","0.003","90","","2430.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 Cl2 Hg2 N4 O18 S2 -","- C40 H58 Cl2 Hg2 N4 O18 S2 -","- C80 H116 Cl4 Hg4 N8 O36 S4 -","2","0.5","","López, Kenia A.; Piña, M. Nieves; Quiñonero, David; Ballester, Pablo; Morey, Jeroni","Highly efficient coordination of Hg2+and Pb2+metals in water with squaramide-coated Fe3O4nanoparticles","J. Mater. Chem. A","2014","2","23","8796","","10.1039/C4TA00990H","","","0.71073","MoKα","","0.064","0.0365","","","0.0821","0.091","","","","","","1.101","","","","has coordinates,has disorder","233286","2020-10-21","18:00:00",""
"7235742","18.085","0.006","9.034","0.003","22.337","0.008","90","","100.725","0.004","90","","3586","2","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C25 H17 N2 O6 Zn -","- C25 H17 N2 O6 Zn -","- C100 H68 N8 O24 Zn4 -","4","1","","Ren, Cai-Xia; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Ya-Jun; Zhang, Jie","π-Conjugation-directed highly selective adsorption of benzene over cyclohexane","Journal of Materials Chemistry A","2014","2","24","9015","","10.1039/c4ta01231c","","","0.71073","MoKα","","0.0695","0.0572","","","0.1687","0.1778","","","","","","1.015","","","","has coordinates","233289","2020-10-21","18:00:00",""
"7235743","16.2561","0.0006","9.0343","0.0002","20.6184","0.0006","90","","90.954","0.003","90","","3027.65","0.16","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C23 H15 N2 O6 Zn -","- C23 H15 N2 O6 Zn -","- C92 H60 N8 O24 Zn4 -","4","1","","Ren, Cai-Xia; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Ya-Jun; Zhang, Jie","π-Conjugation-directed highly selective adsorption of benzene over cyclohexane","Journal of Materials Chemistry A","2014","2","24","9015","","10.1039/c4ta01231c","","","1.54178","CuKα","","0.0592","0.0491","","","0.1501","0.1593","","","","","","1.066","","","","has coordinates","233289","2020-10-21","18:00:00",""
"7235744","7.8761","0.0006","10.7803","0.0008","31.713","0.002","94.262","0.003","93.003","0.003","90.461","0.004","2681.3","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 N3 O2 S3 -","- C28 H31 N3 O2 S3 -","- C112 H124 N12 O8 S12 -","4","2","","Li, Hairong; Sun, Shuangyong; Mhaisalkar, Subodh; Zin, Melvin T.; Lam, Yeng Ming; Grimsdale, Andrew C.","A high voltage solar cell using a donor‒acceptor conjugated polymer based on pyrrolo[3,4-f]-2,1,3-benzothiadiazole-5,7-dione","J. Mater. Chem. A","2014","2","42","17925","","10.1039/C4TA01248H","","","0.71073","MoKα","","0.1355","0.0703","","","0.0808","0.0878","","","","3.49","3.49","2.73","","","","has coordinates","233290","2020-10-21","18:00:00",""
"7235745","6.473","0.0013","7.97","0.0016","10.577","0.002","101.69","0.03","102.84","0.03","105.7","0.03","491.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Mn2 N2 O10 -","- C16 H24 Mn2 N2 O10 -","- C16 H24 Mn2 N2 O10 -","1","0.5","","Lee, Jae Hwa; Sa, Young Jin; Kim, Tae Kyung; Moon, Hoi Ri; Joo, Sang Hoon","A transformative route to nanoporous manganese oxides of controlled oxidation states with identical textural properties","J. Mater. Chem. A","2014","2","27","10435","","10.1039/C4TA01272K","","","0.69999","MoKα","","0.0384","0.0379","","","0.1079","0.1082","","","","","","1.093","","","","has coordinates","233292","2020-10-21","18:00:00",""
"7235751","8.451","0.006","9.412","0.007","13.827","0.01","90","","106.097","0.006","90","","1056.7","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,10-di(butyloxy)dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene","","- C22 H20 O2 S4 -","- C22 H20 O2 S4 -","- C44 H40 O4 S8 -","2","0.5","","Sun, Shuo; Zhang, Peng; Li, Jianfeng; Li, Yuanke; Wang, Jianlu; Zhang, Shujiang; Xia, Yangjun; Meng, Xiangjian; Fan, Duowang; Chu, Junhao","Synthetically controlling the optoelectronic properties of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-alt-diketopyrrolopyrrole-conjugated polymers for efficient solar cells","J. Mater. Chem. A","2014","2","37","15316","","10.1039/C4TA01632G","","","0.71073","MoKα","","0.0613","0.0475","","","0.1268","0.1398","","","","","","1.051","","","","has coordinates","233295","2020-10-21","18:00:00",""
"7235752","8.568","0.01","17.79","0.02","9.479","0.011","90","","99.479","0.012","90","","1425","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,10-Di(octyloxy)dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene","","- C30 H38 N0 O2 S4 -","- C30 H38 O2 S4 -","- C60 H76 O4 S8 -","2","0.5","","Sun, Shuo; Zhang, Peng; Li, Jianfeng; Li, Yuanke; Wang, Jianlu; Zhang, Shujiang; Xia, Yangjun; Meng, Xiangjian; Fan, Duowang; Chu, Junhao","Synthetically controlling the optoelectronic properties of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-alt-diketopyrrolopyrrole-conjugated polymers for efficient solar cells","J. Mater. Chem. A","2014","2","37","15316","","10.1039/C4TA01632G","","","0.71073","MoKα","","0.058","0.0391","","","0.0928","0.1083","","","","","","1.071","","","","has coordinates","233295","2020-10-21","18:00:00",""
"7235753","7.507","0.004","9.506","0.005","13.155","0.007","81.79","0.006","76.147","0.006","89.255","0.006","901.9","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5,10-di(dodecyloxy)dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene","","- C38 H54 O2 S4 -","- C38 H54 O2 S4 -","- C38 H54 O2 S4 -","1","0.5","","Sun, Shuo; Zhang, Peng; Li, Jianfeng; Li, Yuanke; Wang, Jianlu; Zhang, Shujiang; Xia, Yangjun; Meng, Xiangjian; Fan, Duowang; Chu, Junhao","Synthetically controlling the optoelectronic properties of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-alt-diketopyrrolopyrrole-conjugated polymers for efficient solar cells","J. Mater. Chem. A","2014","2","37","15316","","10.1039/C4TA01632G","","","0.71073","MoKα","","0.0934","0.0631","","","0.1481","0.1592","","","","","","1.292","","","","has coordinates","233295","2020-10-21","18:00:00",""
"7235754","6.33","0.004","21.41","0.014","9.618","0.007","90","","103.021","0.007","90","","1270","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,10-bis(trimethylsilylethynyl)dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']di- thiophene","","- C24 H22 S4 Si2 -","- C24 H22 S4 Si2 -","- C48 H44 S8 Si4 -","2","0.5","","Sun, Shuo; Zhang, Peng; Li, Jianfeng; Li, Yuanke; Wang, Jianlu; Zhang, Shujiang; Xia, Yangjun; Meng, Xiangjian; Fan, Duowang; Chu, Junhao","Synthetically controlling the optoelectronic properties of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-alt-diketopyrrolopyrrole-conjugated polymers for efficient solar cells","J. Mater. Chem. A","2014","2","37","15316","","10.1039/C4TA01632G","","","0.71073","MoKα","","0.1166","0.0657","","","0.1178","0.1412","","","","","","1.197","","","","has coordinates","233295","2020-10-21","18:00:00",""
"7235755","13.8054","0.0014","13.8054","0.0014","27.53","0.005","90","","90","","90","","5246.9","1.2","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H12 N28 O2 Pb2 -","- C12 H12 N28 O2 Pb2 -","- C96 H96 N224 O16 Pb16 -","8","0.5","","Gao, Wenjuan; Liu, Xiangyu; Su, Zhiyong; Zhang, Sheng; Yang, Qi; Wei, Qing; Chen, Sanping; Xie, Gang; Yang, Xuwu; Gao, Shengli","High-energy-density materials with remarkable thermostability and insensitivity: syntheses, structures and physicochemical properties of Pb(ii) compounds with 3-(tetrazol-5-yl) triazole","Journal of Materials Chemistry A","2014","2","30","11958","","10.1039/C4TA01746C","","","0.71073","MoKα","","0.0368","0.0298","","","0.0611","0.0633","","","","","","0.903","","","","has coordinates","233296","2020-10-21","18:00:00",""
"7235756","3.901","0.0016","23.862","0.01","7.561","0.003","90","","104.419","0.006","90","","681.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H3 N7 O Pb -","- C3 H3 N7 O Pb -","- C12 H12 N28 O4 Pb4 -","4","1","","Gao, Wenjuan; Liu, Xiangyu; Su, Zhiyong; Zhang, Sheng; Yang, Qi; Wei, Qing; Chen, Sanping; Xie, Gang; Yang, Xuwu; Gao, Shengli","High-energy-density materials with remarkable thermostability and insensitivity: syntheses, structures and physicochemical properties of Pb(ii) compounds with 3-(tetrazol-5-yl) triazole","Journal of Materials Chemistry A","2014","2","30","11958","","10.1039/C4TA01746C","","","0.71073","MoKα","","0.0811","0.0731","","","0.2065","0.22","","","","","","1.036","","","","has coordinates","233296","2020-10-21","18:00:00",""
"7235757","13.673","0.005","13.673","0.005","22.794","0.005","90","0.005","90","0.005","90","0.005","4261","2","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C8 H6 N6 O4 Zn2 -","- C8 H6 N6 O4 Zn2 -","- C64 H48 N48 O32 Zn16 -","8","0.5","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.0429","0.0322","","","0.0916","0.0954","","","","","","1.027","","","","has coordinates","233299","2020-10-21","18:00:00",""
"7235758","13.53","0.005","13.53","0.005","27.172","0.005","90","","90","","90","","4974","3","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C12 H8 N7 O4 Zn2 -","- C12 H8 N7 O4 Zn2 -","- C96 H64 N56 O32 Zn16 -","8","0.5","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.0506","0.0414","","","0.1524","0.1583","","","","","","1.087","","","","has coordinates,has disorder","233299","2020-10-21","18:00:00",""
"7235759","13.635","0.005","13.635","0.005","27.026","0.005","90","","90","","90","","5024","3","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C12 H6.5 Br N6 O4 Zn2 -","- C12 H6.5 Br N6 O4 Zn2 -","- C96 H52 Br8 N48 O32 Zn16 -","8","1","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.1051","0.0855","","","0.2752","0.293","","","","","","1.165","","","","has coordinates,has disorder","233299","2020-10-21","18:00:00",""
"7235760","13.794","0.005","13.794","0.005","27.262","0.005","90","","90","","90","","5187","3","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C16 H10 N6 O4 Zn2 -","- C16 H10 N6 O4 Zn2 -","- C128 H80 N48 O32 Zn16 -","8","0.5","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.0987","0.0792","","","0.1954","0.2037","","","","","","1.094","","","","has coordinates,has disorder","233299","2020-10-21","18:00:00",""
"7235761","13.628","0.005","13.644","0.005","19.08","0.005","109.41","","91.29","","90.88","","3344.3","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 N6 O5 Zn2 -","- C18 H12 N6 O5 Zn2 -","- C72 H48 N24 O20 Zn8 -","4","2","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.0788","0.0558","","","0.1338","0.14","","","","","","1.038","","","","has coordinates,has disorder","233299","2020-10-21","18:00:00",""
"7235762","6.8","0.0024","31.727","0.01","18.356","0.0033","90","","90","","90","","3960","2","298","","298","","","","","","","","","4","I m m a","-I 2b 2","74","","(1,4-bis(1H-pyrazol-4-ylethynyl)benzene)-(Ni(ii))","","- C16 H8 N4 Ni -","- C20 H12 N4 Ni -","- C80 H48 N16 Ni4 -","4","0.25","","Galli, S.; Maspero, A.; Giacobbe, C.; Palmisano, G.; Nardo, L.; Comotti, A.; Bassanetti, I.; Sozzani, P.; Masciocchi, N.","When long bis(pyrazolates) meet late transition metals: structure, stability and adsorption of metal‒organic frameworks featuring large parallel channels","Journal of Materials Chemistry A","2014","2","31","12208","","10.1039/C4TA01798F","powder diffraction","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","233302","2020-10-21","18:00:00",""
"7235763","25.3033","0.0036","26.4643","0.0034","7.30733","0.00063","90","","90","","90","","4893.2","1","298","","298","","","","","","","","","4","C c c m","-C 2 2c","66","","(1,4-bis(1H-pyrazol-4-ylethynyl)benzene)-(Zn(ii))","","- C16 H8 N4 Zn -","- C16 H8 N4 Zn -","- C128 H64 N32 Zn8 -","8","0.5","","Galli, S.; Maspero, A.; Giacobbe, C.; Palmisano, G.; Nardo, L.; Comotti, A.; Bassanetti, I.; Sozzani, P.; Masciocchi, N.","When long bis(pyrazolates) meet late transition metals: structure, stability and adsorption of metal‒organic frameworks featuring large parallel channels","Journal of Materials Chemistry A","2014","2","31","12208","","10.1039/C4TA01798F","powder diffraction","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","233303","2020-10-21","18:00:00",""
"7235764","7.3968","0.0053","36.3567","0.0025","63.4375","0.0097","90","","90","","90","","17060","13","298","","298","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","tris(1,4-bis(1H-pyrazol-4-ylethynyl)benzene)-bis(fe(iii))","","- C48 H24 Fe2 N12 -","- C48 H24 Fe2 N12 -","- C384 H192 Fe16 N96 -","8","0.25","","Galli, S.; Maspero, A.; Giacobbe, C.; Palmisano, G.; Nardo, L.; Comotti, A.; Bassanetti, I.; Sozzani, P.; Masciocchi, N.","When long bis(pyrazolates) meet late transition metals: structure, stability and adsorption of metal‒organic frameworks featuring large parallel channels","Journal of Materials Chemistry A","2014","2","31","12208","","10.1039/C4TA01798F","powder diffraction","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","233305","2020-10-21","18:00:00",""
"7235765","18.4951","0.0007","18.4951","0.0007","46.337","0.003","90","","90","","120","","13726.9","1.2","100","2","100","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C48 H24 Cu3 O15 -","- C48 H24 Cu3 O15 -","- C288 H144 Cu18 O90 -","6","0.166667","","Wen, Hui-Min; Li, Bin; Yuan, Daqiang; Wang, Hailong; Yildirim, Taner; Zhou, Wei; Chen, Banglin","A porous metal‒organic framework with an elongated anthracene derivative exhibiting a high working capacity for the storage of methane","Journal of Materials Chemistry A","2014","2","29","11516","","10.1039/c4ta01860e","","","1.5418","CuKα","","0.129","0.1073","","","0.2991","0.3276","","","","","","1.202","","","","has coordinates","233306","2020-10-21","18:00:00",""
"7235766","17.298","0.008","13.402","0.006","18.056","0.008","90","","96.196","0.006","90","","4161","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 Ni2 O11 -","- C26 H20 N2 Ni2 O11 -","- C104 H80 N8 Ni8 O44 -","4","0.5","","Zheng, Xiaofang; Zhou, Li; Huang, Yumei; Wang, Chenggang; Duan, Jingui; Wen, Lili; Tian, Zhengfang; Li, Dongfeng","A series of metal‒organic frameworks based on 5-(4-pyridyl)-isophthalic acid: selective sorption and fluorescence sensing","Journal of Materials Chemistry A","2014","2","31","12413","","10.1039/C4TA01900H","","","0.71073","MoKα","","0.0739","0.0607","","","0.1795","0.1903","","","","","","1.102","","","","has coordinates,has disorder","233308","2020-10-21","18:00:00",""
"7235767","10.9495","0.0017","22.0856","0.0014","28.3314","0.001","100.496","0.002","99.542","0.003","101.674","0.002","6449.6","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C212 H231 N25 Ni12 O78 -","- C212 H231 N25 Ni12 O78 -","- C212 H231 N25 Ni12 O78 -","1","0.5","","Zheng, Xiaofang; Zhou, Li; Huang, Yumei; Wang, Chenggang; Duan, Jingui; Wen, Lili; Tian, Zhengfang; Li, Dongfeng","A series of metal‒organic frameworks based on 5-(4-pyridyl)-isophthalic acid: selective sorption and fluorescence sensing","Journal of Materials Chemistry A","2014","2","31","12413","","10.1039/C4TA01900H","","","0.71073","MoKα","","0.069","0.0557","","","0.1551","0.1572","","","","","","1.006","","","","has coordinates","233308","2020-10-21","18:00:00",""
"7235768","20.365","0.003","20.119","0.003","17.311","0.003","90","","103.166","0.003","90","","6906.3","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H49 Co2 N12 O8 -","- C71 H49 Co2 N12 O8 -","- C284 H196 Co8 N48 O32 -","4","1","","Zheng, Xiaofang; Zhou, Li; Huang, Yumei; Wang, Chenggang; Duan, Jingui; Wen, Lili; Tian, Zhengfang; Li, Dongfeng","A series of metal‒organic frameworks based on 5-(4-pyridyl)-isophthalic acid: selective sorption and fluorescence sensing","Journal of Materials Chemistry A","2014","2","31","12413","","10.1039/C4TA01900H","","","0.71073","MoKα","","0.0885","0.0541","","","0.1504","0.1656","","","","","","0.988","","","","has coordinates","233308","2020-10-21","18:00:00",""
"7235769","14.9438","0.0005","14.9438","0.0005","10.129","0.0007","90","","90","","90","","2261.98","0.19","273","2","273","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C22 H14 N3 O5 Zn -","- C22 H14 N3 O5 Zn -","- C88 H56 N12 O20 Zn4 -","4","0.5","","Zheng, Xiaofang; Zhou, Li; Huang, Yumei; Wang, Chenggang; Duan, Jingui; Wen, Lili; Tian, Zhengfang; Li, Dongfeng","A series of metal‒organic frameworks based on 5-(4-pyridyl)-isophthalic acid: selective sorption and fluorescence sensing","Journal of Materials Chemistry A","2014","2","31","12413","","10.1039/C4TA01900H","","","0.71073","MoKα","","0.0719","0.0607","","","0.2101","0.2228","","","","","","1.216","","","","has coordinates,has disorder","233308","2020-10-21","18:00:00",""
"7235770","20.2644","0.0006","19.1216","0.0007","26.8248","0.0008","90","","101.184","0.003","90","","10196.9","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H37 N4 O15.5 Zn3 -","- C48 H21.5 N4 O15.5 Zn3 -","- C384 H172 N32 O124 Zn24 -","8","1","","Kong, Lidan; Zou, Ruyi; Bi, Wenzhu; Zhong, Ruiqin; Mu, Weijun; Liu, Jia; Han, Ray P. S.; Zou, Ruqiang","Selective adsorption of CO2/CH4 and CO2/N2 within a charged metal‒organic framework","J. Mater. Chem. A","2014","2","42","17771","","10.1039/C4TA01993H","","","0.71073","MoKα","","0.1363","0.0786","","","0.2165","0.2532","","","","","","1.021","","","","has coordinates","233310","2020-10-21","18:00:00",""
"7235771","20.2644","0.0006","19.1216","0.0007","26.8248","0.0008","90","","101.184","0.003","90","","10196.9","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H21.5 N2 O15 Zn3 -","- C43.5 H21.5 N2 O15 Zn3 -","- C348 H172 N16 O120 Zn24 -","8","1","","Kong, Lidan; Zou, Ruyi; Bi, Wenzhu; Zhong, Ruiqin; Mu, Weijun; Liu, Jia; Han, Ray P. S.; Zou, Ruqiang","Selective adsorption of CO2/CH4 and CO2/N2 within a charged metal‒organic framework","J. Mater. Chem. A","2014","2","42","17771","","10.1039/C4TA01993H","","","0.71073","MoKα","","0.1079","0.0622","","","0.1563","0.1729","","","","","","0.967","","","","has coordinates","233310","2020-10-21","18:00:00",""
"7235772","24.369","0.005","24.336","0.004","25.55","0.005","90","","107.319","0.004","90","","14465","5","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C112 H109 F14 Mo12 N21 Ni2 O42 Si8 -","- C112 H105 F14 Mo12 N21 Ni2 O42 Si8 -","- C448 H420 F56 Mo48 N84 Ni8 O168 Si32 -","4","1","","Zhou, Lei; Liu, Juan; Ji, Wenbin; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","A nickel-modified polyoxometalate towards a highly efficient catalyst for selective oxidation of hydrocarbons","Journal of Materials Chemistry A","2014","2","32","12686","","10.1039/C4TA02214A","","","0.71073","MoKα","","0.1949","0.0818","","","0.1824","0.2224","","","","","","0.994","","","","has coordinates","233312","2020-10-21","18:00:00",""
"7235773","27.72","0.006","5.806","0.0012","7.553","0.0015","90","","92.7","0.03","90","","1214.2","0.4","95","2","95","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Na2 O5 -","- C14 H8 Na2 O5 -","- C56 H32 Na8 O20 -","4","1","","Choi, Aram; Kim, Yun Kyeong; Kim, Tae Kyung; Kwon, Mi-Sook; Lee, Kyu Tae; Moon, Hoi Ri","4,4′-Biphenyldicarboxylate sodium coordination compounds as anodes for Na-ion batteries","J. Mater. Chem. A","2014","2","36","14986","","10.1039/C4TA02424A","","","0.64999","","","0.0374","0.035","","","0.0982","0.0997","","","","","","1.026","","","","has coordinates","233314","2020-10-21","18:00:00",""
"7235774","3.655","0.0007","11.214","0.002","12.985","0.003","89.55","0.03","84.39","0.03","88.78","0.03","529.54","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 N0 Na O4 -","- C14 H9 Na O4 -","- C28 H18 Na2 O8 -","2","1","","Choi, Aram; Kim, Yun Kyeong; Kim, Tae Kyung; Kwon, Mi-Sook; Lee, Kyu Tae; Moon, Hoi Ri","4,4′-Biphenyldicarboxylate sodium coordination compounds as anodes for Na-ion batteries","J. Mater. Chem. A","2014","2","36","14986","","10.1039/C4TA02424A","","","0.69999","","","0.0748","0.0623","","","0.172","0.1859","","","","","","1.002","","","","has coordinates","233314","2020-10-21","18:00:00",""
"7235775","16.182","0.003","9.47","0.0019","16.361","0.003","90","","111.28","0.03","90","","2336.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Co3 N4 O16 -","- C36 H40 Co3 N4 O16 -","- C72 H80 Co6 N8 O32 -","2","0.5","","Lee, Kyung Joo; Kim, Tae-Hee; Kim, Tae Kyung; Lee, Jae Hwa; Song, Hyun-Kon; Moon, Hoi Ri","Preparation of Co3O4 electrode materials with different microstructures via pseudomorphic conversion of Co-based metal‒organic frameworks","J. Mater. Chem. A","2014","2","35","14393","","10.1039/C4TA02501F","","","0.70002","","","0.1174","0.0801","","","0.216","0.2357","","","","","","0.962","","","","has coordinates","233315","2020-10-21","18:00:00",""
"7235776","7.3489","0.0015","10.969","0.002","16.002","0.003","72.51","0.03","78.52","0.03","73.12","0.03","1168.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Co2 O10 S2 -","- C20 H20 Co2 O10 S2 -","- C40 H40 Co4 O20 S4 -","2","1","","Lee, Kyung Joo; Kim, Tae-Hee; Kim, Tae Kyung; Lee, Jae Hwa; Song, Hyun-Kon; Moon, Hoi Ri","Preparation of Co3O4 electrode materials with different microstructures via pseudomorphic conversion of Co-based metal‒organic frameworks","J. Mater. Chem. A","2014","2","35","14393","","10.1039/C4TA02501F","","","0.71073","MoKα","","0.175","0.1242","","","0.3121","0.3591","","","","","","1.183","","","","has coordinates","233315","2020-10-21","18:00:00",""
"7235777","5.186","0.002","7.387","0.003","8.416","0.004","109.629","0.004","96.52","0.006","94.311","0.007","299.5","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H12 Cl2 N10 O2 -","- C4 H12 Cl2 N10 O2 -","- C4 H12 Cl2 N10 O2 -","1","0.5","","Liu, Wei; Li, Sheng-hua; Li, Yu-chuan; Yang, Yu-zhang; Yu, Yi; Pang, Si-ping","Nitrogen-rich salts based on polyamino substituted N,N′-azo-1,2,4-triazole: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","38","15978","","10.1039/C4TA03016H","","","0.71073","MoKα","","0.0402","0.0323","","","0.068","0.071","","","","","","1.002","","","","has coordinates","233317","2020-10-21","18:00:00",""
"7235778","7.2555","0.0015","8.827","0.0018","9.796","0.002","90","","105.7","0.03","90","","604","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N12 O6 -","- C4 H8 N12 O6 -","- C8 H16 N24 O12 -","2","0.5","","Liu, Wei; Li, Sheng-hua; Li, Yu-chuan; Yang, Yu-zhang; Yu, Yi; Pang, Si-ping","Nitrogen-rich salts based on polyamino substituted N,N′-azo-1,2,4-triazole: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","38","15978","","10.1039/C4TA03016H","","","0.71073","MoKα","","0.0592","0.048","","","0.1294","0.1391","","","","","","1.036","","","","has coordinates","233317","2020-10-21","18:00:00",""
"7235779","5.854","0.004","8.13","0.005","10.65","0.007","109.96","0.03","96.98","0.04","100.02","0.03","460.1","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N8 O2 -","- C6 H8 N8 O2 -","- C12 H16 N16 O4 -","2","1","","Liu, Wei; Li, Sheng-hua; Li, Yu-chuan; Yang, Yu-zhang; Yu, Yi; Pang, Si-ping","Nitrogen-rich salts based on polyamino substituted N,N′-azo-1,2,4-triazole: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","38","15978","","10.1039/C4TA03016H","","","0.71073","MoKα","","0.1082","0.0551","","","0.0919","0.1052","","","","","","1.001","","","","has coordinates,has disorder","233317","2020-10-21","18:00:00",""
"7235780","4.9462","0.0009","7.1522","0.0017","9.503","0.002","97.491","0.007","94.118","0.008","99.293","0.008","327.45","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Cl2 N10 O8 -","- C4 H8 Cl2 N10 O8 -","- C4 H8 Cl2 N10 O8 -","1","0.5","","Liu, Wei; Li, Sheng-hua; Li, Yu-chuan; Yang, Yu-zhang; Yu, Yi; Pang, Si-ping","Nitrogen-rich salts based on polyamino substituted N,N′-azo-1,2,4-triazole: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","38","15978","","10.1039/C4TA03016H","","","0.71075","MoKα","","0.033","0.0301","","","0.0857","0.0868","","","","","","1.054","","","","has coordinates","233317","2020-10-21","18:00:00",""
"7235781","8.1663","0.0009","9.5042","0.001","9.8518","0.0011","109.251","0.001","93.241","0.001","115.054","0.001","636.53","0.12","140","1","140","1","","","","","","","","7","P -1","-P 1","2","","","","- C7 H15 B F3 N3 O3 S -","- C7 H15 B F3 N3 O3 S -","- C14 H30 B2 F6 N6 O6 S2 -","2","1","","Rekken, B. D.; Carre-Burritt, A. E.; Scott, B. L.; Davis, B. L.","N-substituted amine-borane ionic liquids as fluid phase, hydrogen storage materials","J. Mater. Chem. A","2014","2","39","16507","","10.1039/C4TA03853C","","","0.71073","MoKα","","0.0342","0.0311","","","0.0815","0.0839","","","","","","1.049","","","","has coordinates","233318","2020-10-21","18:00:00",""
"7235782","8.954","0.005","11.908","0.007","18.248","0.01","108.424","0.008","99.976","0.007","93.421","0.007","1804.4","1.8","140","1","140","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H25 Cl N3 Si2 -","- C12 H25 Cl N3 Si2 -","- C48 H100 Cl4 N12 Si8 -","4","2","","Rekken, B. D.; Carre-Burritt, A. E.; Scott, B. L.; Davis, B. L.","N-substituted amine-borane ionic liquids as fluid phase, hydrogen storage materials","J. Mater. Chem. A","2014","2","39","16507","","10.1039/C4TA03853C","","","0.71073","MoKα","","0.1726","0.1061","","","0.2971","0.3351","","","","","","1.085","","","","has coordinates,has disorder","233318","2020-10-21","18:00:00",""
"7235783","10.2973","0.0011","13.2211","0.0014","8.8908","0.0009","90","","112.762","0.001","90","","1116.1","0.2","140","1","140","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl2 N3 -","- C7 H15 Cl2 N3 -","- C28 H60 Cl8 N12 -","4","1","","Rekken, B. D.; Carre-Burritt, A. E.; Scott, B. L.; Davis, B. L.","N-substituted amine-borane ionic liquids as fluid phase, hydrogen storage materials","J. Mater. Chem. A","2014","2","39","16507","","10.1039/C4TA03853C","","","0.71073","MoKα","","0.0356","0.0283","","","0.0653","0.0682","","","","","","1.068","","","","has coordinates","233318","2020-10-21","18:00:00",""
"7235784","7.41851","0.00017","40.3306","0.0011","11.5514","0.0003","90","","99.732","0.002","90","","3406.36","0.15","143.05","0.1","143.05","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N2 O4 -","- C40 H36 N2 O4 -","- C160 H144 N8 O16 -","4","1","","Yang, Lin; Yang, Qianqian; Yang, Daobin; Luo, Qian; Zhu, Youqin; Huang, Yan; Zhao, Suling; Lu, Zhiyun","Marked effects of indolyl vs. indolinyl substituent on solid-state structure, carrier mobility and photovoltaic efficiency of asymmetrical squaraine dyes","J. Mater. Chem. A","2014","2","43","18313","","10.1039/C4TA03859B","","","0.71073","MoKα","","0.0666","0.0561","","","0.146","0.1524","","","","","","1.061","","","","has coordinates,has disorder","233320","2020-10-21","18:00:00",""
"7235785","13.6013","0.0007","15.386","0.0006","15.6472","0.0009","90","","109.803","0.004","90","","3080.8","0.3","140","2","140.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 N2 O4 -","- C40 H38 N2 O4 -","- C160 H152 N8 O16 -","4","1","","Yang, Lin; Yang, Qianqian; Yang, Daobin; Luo, Qian; Zhu, Youqin; Huang, Yan; Zhao, Suling; Lu, Zhiyun","Marked effects of indolyl vs. indolinyl substituent on solid-state structure, carrier mobility and photovoltaic efficiency of asymmetrical squaraine dyes","J. Mater. Chem. A","2014","2","43","18313","","10.1039/C4TA03859B","","","1.54178","CuKα","","0.1119","0.0777","","","0.2034","0.2364","","","","","","1.02","","","","has coordinates,has disorder","233320","2020-10-21","18:00:00",""
"7235786","7.124","0.002","8.642","0.003","10.941","0.004","100.173","0.002","106.167","0.004","102.307","0.004","611.8","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H6 N10 O8 -","- C6 H6 N10 O8 -","- C12 H12 N20 O16 -","2","1","","Li, Chuan; Liang, Lixuan; Wang, Kai; Bian, Chengming; Zhang, Jun; Zhou, Zhiming","Polynitro-substituted bispyrazoles: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","42","18097","","10.1039/C4TA03865G","","","0.71073","MoKα","","0.0621","0.0422","","","0.098","0.1067","","","","","","1.001","","","","has coordinates","233322","2020-10-21","18:00:00",""
"7235787","13.012","0.003","6.3771","0.0012","19.435","0.004","90","","90.668","0.002","90","","1612.6","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N15 O8 -","- C8 H9 N15 O8 -","- C32 H36 N60 O32 -","4","1","","Li, Chuan; Liang, Lixuan; Wang, Kai; Bian, Chengming; Zhang, Jun; Zhou, Zhiming","Polynitro-substituted bispyrazoles: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","42","18097","","10.1039/C4TA03865G","","","0.71073","MoKα","","0.0443","0.0392","","","0.1017","0.1062","","","","","","1.003","","","","has coordinates","233322","2020-10-21","18:00:00",""
"7235788","10.6525","0.0018","10.1569","0.0017","11.3404","0.0019","90","","96.259","0.002","90","","1219.7","0.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N10 O8 -","- C6 H4 N10 O8 -","- C24 H16 N40 O32 -","4","1","","Li, Chuan; Liang, Lixuan; Wang, Kai; Bian, Chengming; Zhang, Jun; Zhou, Zhiming","Polynitro-substituted bispyrazoles: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","42","18097","","10.1039/C4TA03865G","","","0.71073","MoKα","","0.0708","0.0561","","","0.1406","0.1517","","","","","","1","","","","has coordinates","233322","2020-10-21","18:00:00",""
"7235789","30.534","0.007","9.1162","0.0019","12.213","0.003","90","","107.504","0.003","90","","3242.1","1.3","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 N14 O8 -","- C7 H10 N14 O8 -","- C56 H80 N112 O64 -","8","1","","Li, Chuan; Liang, Lixuan; Wang, Kai; Bian, Chengming; Zhang, Jun; Zhou, Zhiming","Polynitro-substituted bispyrazoles: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","42","18097","","10.1039/C4TA03865G","","","0.71073","MoKα","","0.0632","0.0476","","","0.125","0.1385","","","","","","1.001","","","","has coordinates","233322","2020-10-21","18:00:00",""
"7235790","14.9","0.004","24.324","0.006","16.253","0.006","90","","113.233","0.004","90","","5413","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H25.5 N3.5 O6.5 Zn -","- C27.5 H25.5 N3.5 O6.5 Zn -","- C220 H204 N28 O52 Zn8 -","8","1","","Masoomi, Mohammad Yaser; Beheshti, Saeideh; Morsali, Ali","Mechanosynthesis of new azine-functionalized Zn(ii) metal‒organic frameworks for improved catalytic performance","J. Mater. Chem. A","2014","2","40","16863","","10.1039/C4TA04001E","","","0.71073","MoKα","","0.1083","0.078","","","0.2189","0.2387","","","","","","1.161","","","","has coordinates,has disorder","233324","2020-10-21","18:00:00",""
"7235791","10.7461","0.0002","20.0351","0.0004","21.4593","0.0004","90","","92.389","0.001","90","","4616.15","0.15","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49.28 H42.28 Cl1.45 N2.28 O P4 Se2 -","- C49.2684 H42.2968 Cl1.4568 N2.27 O P4 Se2 -","- C197.074 H169.187 Cl5.8272 N9.08 O4 P16 Se8 -","4","0.5","","Akhtar, Masood; Malik, Mohammad Azad; Raftery, James; O'Brien, Paul","Synthesis of iron selenide nanocrystals and thin films from bis(tetraisopropyldiselenoimidodiphosphinato)iron(ii) and bis(tetraphenyldiselenoimidodiphosphinato)iron(ii) complexes","J. Mater. Chem. A","2014","2","48","20612","","10.1039/C4TA04054F","","","1.54178","CuKα","","0.0317","0.0283","","","0.0737","0.0757","","","","","","1.063","","","","has coordinates,has disorder","233326","2020-10-21","18:00:00",""
"7235792","10.0919","0.0005","12.9751","0.0006","18.0953","0.0008","89.753","0.003","82.344","0.002","77.988","0.002","2296.25","0.19","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Fe N2 P4 Se4 -","- C48 H40 Fe N2 P4 Se4 -","- C96 H80 Fe2 N4 P8 Se8 -","2","1","","Akhtar, Masood; Malik, Mohammad Azad; Raftery, James; O'Brien, Paul","Synthesis of iron selenide nanocrystals and thin films from bis(tetraisopropyldiselenoimidodiphosphinato)iron(ii) and bis(tetraphenyldiselenoimidodiphosphinato)iron(ii) complexes","J. Mater. Chem. A","2014","2","48","20612","","10.1039/C4TA04054F","","","1.54178","CuKα","","0.0661","0.0589","","","0.1703","0.1781","","","","","","1.565","","","","has coordinates","233326","2020-10-21","18:00:00",""
"7235796","30.5557","0.0017","30.5557","0.0017","30.5557","0.0017","90","","90","","90","","28528","3","183","2","183","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C320 H234 N8 O125 Zn32 -","- C288 H144 O104 Zn32 -","- C288 H144 O104 Zn32 -","1","0.00520833","","Barman, Samir; Khutia, Anupam; Koitz, Ralph; Blacque, Olivier; Furukawa, Hiroyasu; Iannuzzi, Marcella; Yaghi, Omar M.; Janiak, Christoph; Hutter, Jürg; Berke, Heinz","Synthesis and hydrogen adsorption properties of internally polarized 2,6-azulenedicarboxylate based metal‒organic frameworks","J. Mater. Chem. A","2014","2","44","18823","","10.1039/C4TA04393F","","","0.71073","MoKα","","0.2245","0.1443","","","0.339","0.3752","","","","","","1.123","","","","has coordinates","233330","2020-10-21","18:00:00",""
"7235797","16.052","0.005","21.172","0.005","9.625","0.005","90","0.005","90","0.005","90","0.005","3271","2","153","2","153","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C15 H12 N O4 Zn -","- C15 H12 N O4 Zn -","- C60 H48 N4 O16 Zn4 -","4","0.25","","Barman, Samir; Khutia, Anupam; Koitz, Ralph; Blacque, Olivier; Furukawa, Hiroyasu; Iannuzzi, Marcella; Yaghi, Omar M.; Janiak, Christoph; Hutter, Jürg; Berke, Heinz","Synthesis and hydrogen adsorption properties of internally polarized 2,6-azulenedicarboxylate based metal‒organic frameworks","J. Mater. Chem. A","2014","2","44","18823","","10.1039/C4TA04393F","","","0.71073","MoKα","","0.0799","0.072","","","0.2116","0.2145","","","","","","1.086","","","","has coordinates","233330","2020-10-21","18:00:00",""
"7235798","17.3863","0.0012","17.9923","0.0011","10.7535","0.0007","90","","125.455","0.005","90","","2740.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H36 N12 O36 Tb2 Zn3 -","- C30 H36 N12 O36 Tb2 Zn3 -","- C60 H72 N24 O72 Tb4 Zn6 -","2","0.25","","Zhang, Huan; Ma, Jiangong; Chen, Diming; Zhou, Jingmin; Zhang, Shaowei; Shi, Wei; Cheng, Peng","Microporous heterometal‒organic framework as a sensor for BTEX with high selectivity","J. Mater. Chem. A","2014","2","48","20450","","10.1039/C4TA04396K","","","0.71073","MoKα","","0.0274","0.0252","","","0.067","0.0684","","","","","","1.046","","","","has coordinates","233332","2020-10-21","18:00:00",""
"7235799","17.3855","0.0015","17.8778","0.0017","10.7117","0.0008","90","","125.437","0.006","90","","2712.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H36 Co3 N12 O36 Tb2 -","- C30 H36 Co3 N12 O36 Tb2 -","- C60 H72 Co6 N24 O72 Tb4 -","2","0.25","","Zhang, Huan; Ma, Jiangong; Chen, Diming; Zhou, Jingmin; Zhang, Shaowei; Shi, Wei; Cheng, Peng","Microporous heterometal‒organic framework as a sensor for BTEX with high selectivity","J. Mater. Chem. A","2014","2","48","20450","","10.1039/C4TA04396K","","","0.71073","MoKα","","0.0713","0.0527","","","0.1288","0.1552","","","","","","1.101","","","","has coordinates","233332","2020-10-21","18:00:00",""
"7235801","7.2312","0.0001","10.8165","0.0002","19.6313","0.0014","90","","92.125","0.007","90","","1534.43","0.12","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Cl2 Mg2 O6 -","- C28 H42 Cl2 Mg2 O6 -","- C56 H84 Cl4 Mg4 O12 -","2","0.5","","Nelson, Emily G.; Brody, Scott I.; Kampf, Jeff W.; Bartlett, Bart M.","A magnesium tetraphenylaluminate battery electrolyte exhibits a wide electrochemical potential window and reduces stainless steel corrosion","J. Mater. Chem. A","2014","2","43","18194","","10.1039/C4TA04625K","","","1.54178","CuKα","","0.0463","0.0436","","","0.1229","0.1257","","","","","","1.139","","","","has coordinates","233337","2020-10-21","18:00:00",""
"7235802","12.8707","0.0007","19.0698","0.0004","12.8991","0.0007","90","","102.113","0.004","90","","3095.5","0.3","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H78 Cl2 Mg4 O12 -","- C60.0008 H78.0016 Cl2 Mg4 O12.0002 -","- C120.002 H156.003 Cl4 Mg8 O24.0004 -","2","0.5","","Nelson, Emily G.; Brody, Scott I.; Kampf, Jeff W.; Bartlett, Bart M.","A magnesium tetraphenylaluminate battery electrolyte exhibits a wide electrochemical potential window and reduces stainless steel corrosion","J. Mater. Chem. A","2014","2","43","18194","","10.1039/C4TA04625K","","","1.54178","CuKα","","0.0358","0.0343","","","0.0915","0.0927","","","","","","1.053","","","","has coordinates,has disorder","233337","2020-10-21","18:00:00",""
"7235803","5.3336","0.0013","7.9688","0.0019","25.494","0.006","90","","94.454","0.003","90","","1080.3","0.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-di-nitro-NNO-azoxytoluene","","- C7 H6 N6 O6 -","- C7 H6 N6 O6 -","- C28 H24 N24 O24 -","4","1","","Wang, Yuan; Li, Shenghua; Li, Yuchuan; Zhang, Rubo; Wang, Dong; Pang, Siping","A comparative study of the structure, energetic performance and stability of nitro-NNO-azoxy substituted explosives","J. Mater. Chem. A","2014","2","48","20806","","10.1039/C4TA04716H","","","0.71073","MoKα","","0.049","0.0393","","","0.0996","0.1061","","","","","","0.999","","","","has coordinates","233339","2020-10-21","18:00:00",""
"7235804","5.2932","0.0015","29.236","0.008","6.907","0.002","90","","98.746","0.004","90","","1056.4","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-dinitro-4-nitro-NNO-azoxytoluene","","- C7 H5 N5 O7 -","- C7 H5 N5 O7 -","- C28 H20 N20 O28 -","4","1","","Wang, Yuan; Li, Shenghua; Li, Yuchuan; Zhang, Rubo; Wang, Dong; Pang, Siping","A comparative study of the structure, energetic performance and stability of nitro-NNO-azoxy substituted explosives","J. Mater. Chem. A","2014","2","48","20806","","10.1039/C4TA04716H","","","0.71073","MoKα","","0.0593","0.0461","","","0.1185","0.129","","","","","","1.003","","","","has coordinates","233339","2020-10-21","18:00:00",""
"7235805","21.625","0.003","10.006","0.0013","14.057","0.0017","90","","91.401","0.007","90","","3040.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Yttrium carboxylate","","","- C30 H30 N0 O15 Y2 -","- C30 H30 O15 Y2 -","- C120 H120 O60 Y8 -","4","1","","Singha, Debal Kanti; Bhattacharya, Saurav; Majee, Prakash; Mondal, Sudip Kumar; Kumar, Manoranjan; Mahata, Partha","Optical detection of submicromolar levels of nitro explosives by a submicron sized metal‒organic phosphor material","J. Mater. Chem. A","2014","2","48","20908","","10.1039/C4TA05014B","","","0.71073","MoKα","","0.0905","0.0462","","","0.0815","0.094","","","","","","0.999","","","","has coordinates","233341","2020-10-21","18:00:00",""
"7235866","17.9746","0.0013","8.2125","0.0006","21.4102","0.0015","90","","91.692","0.001","90","","3159.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Cl F6 N5 O3 P Zn -","- C29 H28 Cl F6 N5 O3 P Zn -","- C116 H112 Cl4 F24 N20 O12 P4 Zn4 -","4","1","","Wang, Junfeng; Chen, Weihua; Liu, Xiumin; Wesdemiotis, Chrys; Pang, Yi","A Mononuclear Zinc Complex for Selective Detection of Diphosphate <i>via</i> Fluorescence ESIPT Turn-On.","Journal of materials chemistry. B","2014","2","21","3349","3354","10.1039/C4TB00020J","","","0.71073","MoKα","","0.0413","0.0362","","","0.1082","0.1147","","","","","","1.098","","","","has coordinates","233390","2020-10-21","18:00:00",""
"7235867","21.86","0.02","16.453","0.016","7.184","0.007","90","","97.643","0.011","90","","2561","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H62 Cu O14 -","- C54 H62 Cu O14 -","- C108 H124 Cu2 O28 -","2","0.5","","Xu, Guoyong; Wang, Jiafeng; Liu, Tao; Wang, Mahong; Zhou, Shuangsheng; Wu, Baoxing; Jiang, Minghua","Synthesis and crystal structure of a novel copper(ii) complex of curcumin-type and its application in in vitro and in vivo imaging","J. Mater. Chem. B","2014","2","23","3659","","10.1039/C4TB00133H","","","0.71073","MoKα","","0.0629","0.0503","","","0.142","0.1557","","","","","","1.095","","","","has coordinates","233392","2020-10-21","18:00:00",""
"7235868","5.3943","0.0006","10.539","0.0012","23.866","0.003","83.743","0.003","88.425","0.003","86.784","0.003","1346.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H51 N2 O3 -","- C28 H49 N O3 -","- C56 H98 N2 O6 -","2","1","","Kashyap, Smita; Jayakannan, Manickam","Thermo-responsive and shape transformable amphiphilic scaffolds for loading and delivering anticancer drugs","Journal of Materials Chemistry B","2014","2","26","4142","","10.1039/c4tb00134f","","","0.71073","MoKα","","0.0863","0.0554","","","0.1559","0.196","","","","","","0.708","","","","has coordinates","233394","2020-10-21","18:00:00",""
"7235869","12.0614","0.001","12.2502","0.001","14.7645","0.0013","87.449","0.007","85.384","0.007","72.203","0.007","2069.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H36 Cl2 N4 O2 -","- C51 H36 Cl2 N4 O2 -","- C102 H72 Cl4 N8 O4 -","2","1","","Zhang, Ying; Wang, Jun-Hao; Zheng, Wenjie; Chen, Tianfeng; Tong, Qing-Xiao; Li, Dan","An ESIPT fluorescent dye based on HBI with high quantum yield and large Stokes shift for selective detection of Cys","J. Mater. Chem. B","2014","2","26","4159","","10.1039/C4TB00190G","","","1.54184","CuKα","","0.0832","0.072","","","0.2514","0.2817","","","","","","1","","","","has coordinates","233396","2020-10-21","18:00:00",""
"7235870","10.4162","0.0008","11.3223","0.0008","11.4154","0.0008","117.225","0.001","102.711","0.001","91.607","0.001","1154.87","0.15","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H22 N6 -","- C28 H22 N6 -","- C56 H44 N12 -","2","1","","Liang, Jing; Shi, Haibin; Kwok, Ryan T. K.; Gao, Meng; Yuan, Youyong; Zhang, Wenhua; Tang, Ben Zhong; Liu, Bin","Distinct optical and kinetic responses from E/Z isomers of caspase probes with aggregation-induced emission characteristics","J. Mater. Chem. B","2014","2","27","4363","","10.1039/C4TB00405A","","","0.71073","MoKα","","0.0731","0.0629","","","0.1546","0.1637","","","","","","0.988","","","","has coordinates,has disorder","233397","2020-10-21","18:00:00",""
"7235871","11.899","0.005","12.656","0.005","18.797","0.005","85.623","0.005","74.828","0.005","87.564","0.005","2723.3","1.7","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H54 N6 O8 -","- C62 H54 N6 O8 -","- C124 H108 N12 O16 -","2","1","","Liu, Yanqiu; Kong, Ming; Zhang, Qiong; Zhang, Zhiwen; Zhou, Hongping; Zhang, Shengyi; Li, Shengli; Wu, Jieying; Tian, Yupeng","A series of triphenylamine-based two-photon absorbing materials with AIE property for biological imaging","J. Mater. Chem. B","2014","2","33","5430","","10.1039/C4TB00464G","","","0.71069","MoKα","","0.1274","0.0764","","","0.2228","0.264","","","","","","1.046","","","","has coordinates,has disorder","233399","2020-10-21","18:00:00",""
"7235872","10.717","0.005","13.917","0.005","17.565","0.005","90","0.005","92.417","0.005","90","0.005","2617.5","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N3 O2 -","- C31 H29 N3 O2 -","- C124 H116 N12 O8 -","4","1","","Liu, Yanqiu; Kong, Ming; Zhang, Qiong; Zhang, Zhiwen; Zhou, Hongping; Zhang, Shengyi; Li, Shengli; Wu, Jieying; Tian, Yupeng","A series of triphenylamine-based two-photon absorbing materials with AIE property for biological imaging","J. Mater. Chem. B","2014","2","33","5430","","10.1039/C4TB00464G","","","0.71069","MoKα","","0.1023","0.0506","","","0.139","0.1797","","","","","","1.005","","","","has coordinates","233399","2020-10-21","18:00:00",""
"7235873","10.326","0.005","22.629","0.005","12.174","0.005","90","0.005","114.636","0.005","90","0.005","2585.7","1.7","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","1","","Liu, Yanqiu; Kong, Ming; Zhang, Qiong; Zhang, Zhiwen; Zhou, Hongping; Zhang, Shengyi; Li, Shengli; Wu, Jieying; Tian, Yupeng","A series of triphenylamine-based two-photon absorbing materials with AIE property for biological imaging","J. Mater. Chem. B","2014","2","33","5430","","10.1039/C4TB00464G","","","0.71069","MoKα","","0.1583","0.0688","","","0.1895","0.2322","","","","","","1.072","","","","has coordinates,has disorder","233401","2020-10-21","18:00:00",""
"7235874","10.0878","0.0014","12.7641","0.0016","28.139","0.004","90","","90","","90","","3623.2","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H0 N6 O0.13 S -","- C20 H16 N2 O4 S -","- C160 H128 N16 O32 S8 -","8","1","","Zhao, Xuan-Xuan; Zhang, Jin-Feng; Liu, Wei; Zhou, Shuai; Zhou, Ze-Quan; Xiao, Yu-Hao; Xi, Gang; Miao, Jun-Ying; Zhao, Bao-Xiang","A unique dansyl-based chromogenic chemosensor for rapid and ultrasensitive hydrazine detection","J. Mater. Chem. B","2014","2","42","7344","","10.1039/C4TB01192A","","","0.71073","MOKα","","0.0791","0.0448","","","0.1041","0.1197","","","","","","1.039","","","","has coordinates","233403","2020-10-21","18:00:00",""
"7238059","5.4864","0.001","17.096","0.003","18.238","0.003","90","","94.053","0.004","90","","1706.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 O3 S -","- C22 H14 O3 S -","- C88 H56 O12 S4 -","4","1","","Alagöz, Oğuzhan; Yılmaz, Mehmet; Pekel, A. Tarık; Graiff, Claudia; Maggi, Raimondo","Synthesis of dihydrofuro- and C-alkenylated naphthoquinones catalyzed by manganese(III) acetate","RSC Adv.","2014","4","28","14644","","10.1039/C3RA48015A","","","0.71073","MoKα","","0.088","0.0422","","","0.1076","0.1226","","","","","","0.998","","","","has coordinates","243781","2020-10-21","18:00:00",""
"7239066","7.217","0.002","8.617","0.003","16.124","0.005","87.616","0.004","87.8","0.005","72.222","0.004","953.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 N6 Ni S4 -","- C34 H42 N6 Ni S4 -","- C34 H42 N6 Ni S4 -","1","0.5","","Chen, Yao; Zhao, Shun-Ping; Liu, Jian-Lan; Ning, Wei-Hua; Sun, Xiao-Mei; Ren, Xiao-Ming","A bis(maleonitriledithiolato)nickelate charge-transfer salt with mixed stacks exhibiting novel non-ferroelectric-type dielectric phase transition and bistability","RSC Advances","2014","4","18","9178","","10.1039/c3ra41607k","","","0.71073","MoKα","","0.1759","0.0568","","","0.1367","0.1886","","","","","","0.883","","","","has coordinates","244532","2020-10-21","18:00:00",""
"7239067","12.0412","0.0008","23.6221","0.0017","25.381","0.002","90","","90","","90","","7219.3","0.9","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C24 H16 Ag In N4 O8 -","- C24 H16 Ag In N4 O8 -","- C192 H128 Ag8 In8 N32 O64 -","8","0.25","","Tan, Yan-Xi; He, Yan-Ping; Wang, Min; Zhang, Jian","A water-stable zeolite-like metal‒organic framework for selective separation of organic dyes","RSC Adv.","2014","4","3","1480","","10.1039/C3RA41627E","","","0.71073","MoKα","","0.0784","0.0614","","","0.2028","0.2261","","","","","","1.084","","","","has coordinates","244533","2020-10-21","18:00:00",""
"7239068","12.4623","0.0007","22.5494","0.0009","24.692","0.002","90","","90","","90","","6938.9","0.7","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C24 H16 Cu In N4 O8 -","- C24 H16 Cu In N4 O8 -","- C192 H128 Cu8 In8 N32 O64 -","8","0.25","","Tan, Yan-Xi; He, Yan-Ping; Wang, Min; Zhang, Jian","A water-stable zeolite-like metal‒organic framework for selective separation of organic dyes","RSC Adv.","2014","4","3","1480","","10.1039/C3RA41627E","","","0.71073","MoKα","","0.0667","0.0539","","","0.1978","0.2098","","","","","","1.288","","","","has coordinates","244533","2020-10-21","18:00:00",""
"7239152","8.882","0.005","13.892","0.005","10.387","0.005","90","0.005","107.392","0.005","90","0.005","1223","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2'-((1E,1'E)-2,2'-(2,5-Dibutoxy-1,4-phenylene)bis(ethene- 2,1-diyl))dipyridine","2,2'-[(1<i>E</i>,1'<i>E</i>)-2,2'-(2,5-Dibutoxy-1,4-phenylene)bis(ethene- 2,1-diyl)]dipyridine","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C56 H64 N4 O4 -","2","0.5","","Liu, Zhaodi; Zhang, Ruilong; Zhang, Qiong; Ding, Hongjuan; Wang, Chuankui; Li, Shengli; Zhou, Hongping; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","Crystal structures, photophysical properties and significantly different two-photon excited fluorescence of the trans- and cis-oligo(phenylene vinylene)","RSC Adv.","2014","4","6","2620","","10.1039/C3RA43126F","","","0.71069","MoKα","","0.0817","0.0488","","","0.1317","0.1539","","","","","","1.032","","","","has coordinates","244575","2020-10-21","18:00:00",""
"7239153","9.0577","0.0016","8.8169","0.0015","16.292","0.003","90","","113.972","0.008","90","","1188.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C56 H64 N4 O4 -","2","0.5","","Liu, Zhaodi; Zhang, Ruilong; Zhang, Qiong; Ding, Hongjuan; Wang, Chuankui; Li, Shengli; Zhou, Hongping; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","Crystal structures, photophysical properties and significantly different two-photon excited fluorescence of the trans- and cis-oligo(phenylene vinylene)","RSC Adv.","2014","4","6","2620","","10.1039/C3RA43126F","","","0.71073","MoKα","","0.0624","0.0443","","","0.1087","0.1217","","","","","","1.046","","","","has coordinates","244575","2020-10-21","18:00:00",""
"7239154","9.293","0.0015","14.162","0.002","10.4495","0.0018","90","","104.566","0.002","90","","1331","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C60 H72 N4 O4 -","2","1","","Liu, Zhaodi; Zhang, Ruilong; Zhang, Qiong; Ding, Hongjuan; Wang, Chuankui; Li, Shengli; Zhou, Hongping; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","Crystal structures, photophysical properties and significantly different two-photon excited fluorescence of the trans- and cis-oligo(phenylene vinylene)","RSC Adv.","2014","4","6","2620","","10.1039/C3RA43126F","","","0.71073","MoKα","","0.0718","0.0665","","","0.195","0.2037","","","","","","1.045","","","","has coordinates","244575","2020-10-21","18:00:00",""
"7239155","9.735","0.007","13.866","0.01","10.782","0.008","90","","113.771","0.009","90","","1331.9","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C60 H72 N4 O4 -","2","0.5","","Liu, Zhaodi; Zhang, Ruilong; Zhang, Qiong; Ding, Hongjuan; Wang, Chuankui; Li, Shengli; Zhou, Hongping; Zhang, Shengyi; Wu, Jieying; Tian, Yupeng","Crystal structures, photophysical properties and significantly different two-photon excited fluorescence of the trans- and cis-oligo(phenylene vinylene)","RSC Adv.","2014","4","6","2620","","10.1039/C3RA43126F","","","0.71073","MoKα","","0.1279","0.1059","","","0.3294","0.3449","","","","","","1.099","","","","has coordinates","244575","2020-10-21","18:00:00",""
"7239219","5.511","0.0005","6.6322","0.0006","14.0532","0.0015","83.397","0.008","81.177","0.008","72.154","0.008","481.88","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N6 O2 -","- C24 H18 N6 O2 -","- C24 H18 N6 O2 -","1","0.5","","Yadav, Promod Kumar; Singh, Alok Kumar; Kumar, Anup; Kumari, Niraj; Gulino, Antonino; Mishra, Lallan; Gupta, Tarkeshwar","Azobenzamide-based proteomorphous objects as a light/pH-induced photoswitchable module","RSC Advances","2014","4","14","7174","","10.1039/c3ra43576h","","","0.71073","MoKα","","0.1231","0.0966","","","0.2863","0.296","","","","","","1.234","","","","has coordinates","244603","2020-10-21","18:00:00",""
"7239220","4.8327","0.0012","14.85","0.003","17.252","0.003","90","","101.434","0.018","90","","1213.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N4 O4 -","- C28 H24 N4 O4 -","- C56 H48 N8 O8 -","2","0.5","","Yadav, Promod Kumar; Singh, Alok Kumar; Kumar, Anup; Kumari, Niraj; Gulino, Antonino; Mishra, Lallan; Gupta, Tarkeshwar","Azobenzamide-based proteomorphous objects as a light/pH-induced photoswitchable module","RSC Advances","2014","4","14","7174","","10.1039/c3ra43576h","","","0.71073","MoKα","","0.3002","0.1874","","","0.4552","0.509","","","","","","1.331","","","","has coordinates","244603","2020-10-21","18:00:00",""
"7239240","15.261","0.0003","18.519","0.0004","16.233","0.0003","90","","90","","90","","4587.75","0.16","100","0.5","100","0.5","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C50 H43 N3 O8 P2 Ru -","- C50 H43 N3 O8 P2 Ru -","- C200 H172 N12 O32 P8 Ru4 -","4","0.5","","Kamatchi, Thangavel Sathiya; Kalaivani, Palaniappan; Poornima, Paramasivan; Padma, Viswanadha Vijaya; Fronczek, Frank R.; Natarajan, Karuppannan","New organometallic ruthenium(ii) complexes containing chelidonic acid (4-oxo-4H-pyran-2,6-dicarboxylic acid): synthesis, structure and in vitro biological activity","RSC Adv.","2014","4","4","2004","","10.1039/C3RA43865A","","","0.71073","MoKα","","0.0323","0.0292","","","0.0692","0.0712","","","","","","1.024","","","","has coordinates","244614","2020-10-21","18:00:00",""
"7239241","11.0885","0.0012","29.01","0.003","9.9651","0.001","90","","102.424","0.003","90","","3130.5","0.6","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 N2 O2 -","- C37 H40 N2 O2 -","- C148 H160 N8 O8 -","4","1","","Edkins, Robert M.; Probert, Michael R.; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","Photocrystallisation of the 2C‒2′C dimer of a triphenylimidazolyl radical","RSC Adv.","2014","4","11","5351","","10.1039/C3RA43892A","","x-ray","0.71073","MoKα","","0.0783","0.0523","","","0.1226","0.1339","","","","","","1.053","","","","has coordinates","244615","2020-10-21","18:00:00",""
"7239242","10.503","0.004","14.511","0.006","19.926","0.008","86.646","0.006","82.585","0.006","70.912","0.005","2845","2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C66 H54 N4 -","- C66 H54 N4 -","- C132 H108 N8 -","2","1","","Edkins, Robert M.; Probert, Michael R.; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","Photocrystallisation of the 2C‒2′C dimer of a triphenylimidazolyl radical","RSC Adv.","2014","4","11","5351","","10.1039/C3RA43892A","","x-ray","0.6889","","","0.1669","0.0905","","","0.2219","0.2519","","","","","","0.898","","","","has coordinates","244615","2020-10-21","18:00:00",""
"7239243","10.017","0.003","11.112","0.003","11.721","0.003","69.889","0.003","87.557","0.003","83.195","0.003","1216.5","0.6","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C66 H54 N4 -","- C66 H54 N4 -","- C66 H54 N4 -","1","0.5","","Edkins, Robert M.; Probert, Michael R.; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","Photocrystallisation of the 2C‒2′C dimer of a triphenylimidazolyl radical","RSC Adv.","2014","4","11","5351","","10.1039/C3RA43892A","","x-ray","0.6889","","","0.0727","0.0576","","","0.1615","0.1725","","","","","","1.067","","","","has coordinates","244615","2020-10-21","18:00:00",""
"7239257","4.8665","0.0008","16.429","0.003","25.787","0.004","90","","90","","90","","2061.7","0.6","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 Br2 N2 O2 -","- C18 H32 Br2 N2 O2 -","- C72 H128 Br8 N8 O8 -","4","1","","Sato, Hisako; Nogami, Emiko; Yajima, Tomoko; Yamagishi, Akihiko","Terminal effects on gelation by low molecular weight chiral gelators","RSC Adv.","2014","4","4","1659","","10.1039/C3RA44070B","","","0.71073","MoKα","","0.0329","0.0266","","","0.0467","0.048","","","","","","1.019","","","","has coordinates","244620","2020-10-21","18:00:00",""
"7239258","4.8466","0.0007","17.841","0.003","28.081","0.004","90","","90","","90","","2428.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H40 Br2 N2 O2 -","- C22 H40 Br2 N2 O2 -","- C88 H160 Br8 N8 O8 -","4","1","","Sato, Hisako; Nogami, Emiko; Yajima, Tomoko; Yamagishi, Akihiko","Terminal effects on gelation by low molecular weight chiral gelators","RSC Adv.","2014","4","4","1659","","10.1039/C3RA44070B","","","0.71073","MoKα","","0.055","0.0402","","","0.0786","0.0826","","","","","","1.015","","","","has coordinates","244620","2020-10-21","18:00:00",""
"7239261","6.4368","0.0004","14.3488","0.0009","20.3824","0.0013","90","","90","","90","","1882.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 S2 -","- C18 H21 N O3 S2 -","- C72 H84 N4 O12 S8 -","4","1","","Li, Ya; Huang, Haiji; Wang, Zhen; Yang, Fan; Li, Desheng; Qin, Bo; Ren, Xinfeng","Stereoselective synthesis of C-sulfonylated aziridines from halomethyl phenyl sulfone and N-tert-butanesulfinyl imines","RSC Adv.","2014","4","2","969","","10.1039/C3RA44174A","","","0.71073","MoKα","","0.039","0.0369","","","0.0978","0.0992","","","","","","1.047","","","","has coordinates","244623","2020-10-21","18:00:00",""
"7239262","9.8142","0.0009","10.5612","0.001","17.6233","0.0017","90","","90","","90","","1826.7","0.3","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 S2 -","- C18 H21 N O3 S2 -","- C72 H84 N4 O12 S8 -","4","1","","Li, Ya; Huang, Haiji; Wang, Zhen; Yang, Fan; Li, Desheng; Qin, Bo; Ren, Xinfeng","Stereoselective synthesis of C-sulfonylated aziridines from halomethyl phenyl sulfone and N-tert-butanesulfinyl imines","RSC Adv.","2014","4","2","969","","10.1039/C3RA44174A","","","0.71073","MoKα","","0.0297","0.0264","","","0.0754","0.0778","","","","","","1.09","","","","has coordinates","244623","2020-10-21","18:00:00",""
"7239265","11.1078","0.0018","20.351","0.003","12.354","0.002","90","","110.522","0.004","90","","2615.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Br N3 O3 S -","- C28 H28 Br N3 O3 S -","- C112 H112 Br4 N12 O12 S4 -","4","1","","Zi, You; Chu, Xue-Qiang; Lu, Xin-Mou; Wang, Shun-Yi; Ji, Shun-Jun","In(OTf)3-catalyzed chemoselective alkylation of tryptamines with 2-oxo-1-pyrrolidine derivatives","RSC Adv.","2014","4","9","4609","","10.1039/C3RA44196B","","","0.7107","MoKα","","0.1546","0.0911","","","0.1685","0.1954","","","","","","1.104","","","","has coordinates","244625","2020-10-21","18:00:00",""
"7239266","26.062","0.008","15.828","0.005","14.693","0.005","90","","120.379","0.007","90","","5229","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 N3 O3 S -","- C29 H30 N3 O3 S -","- C232 H240 N24 O24 S8 -","8","1","","Zi, You; Chu, Xue-Qiang; Lu, Xin-Mou; Wang, Shun-Yi; Ji, Shun-Jun","In(OTf)3-catalyzed chemoselective alkylation of tryptamines with 2-oxo-1-pyrrolidine derivatives","RSC Adv.","2014","4","9","4609","","10.1039/C3RA44196B","","","0.7107","MoKα","","0.1594","0.0871","","","0.2303","0.2966","","","","","","1.075","","","","has coordinates,has disorder","244625","2020-10-21","18:00:00",""
"7239267","7.5846","0.0015","18.384","0.003","14.401","0.003","90","","102.535","0.008","90","","1960.1","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Kemp-benzidine","","","- C20 H26 N O5 S -","- C20 H26 N O5 S -","- C80 H104 N4 O20 S4 -","4","1","","Naini, Santhosh Reddy; Ranganathan, Subramania; Yadav, Jhillu Singh; Ramakrishna, K. V. S.; Gayatri, G.; Sastry, G. Narahari; Roy, K. Basu; Shamala, N.","The exploration of Kemp's triacid (KTA) as the core for the synthesis of 3-fold symmetric 23-cyclophane, 22-cyclophane and novel linker directed designs","RSC Advances","2014","4","11","5322","","10.1039/c3ra44327b","","","0.71073","MoKα","","0.0699","0.0534","","","0.1481","0.1643","","","","","","0.961","","","","has coordinates,has disorder","244626","2020-10-21","18:00:00",""
"7239268","12.436","0.005","12.863","0.005","13.394","0.005","94.291","0.005","94.205","0.005","104.931","0.005","2054.9","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H37.5 N4.5 O P2 Ru S2 -","- C42 H36 N4.5 O P2 Ru S2 -","- C84 H72 N9 O2 P4 Ru2 S4 -","2","1","","Paul, Piyali; Seth, Dipravath Kumar; Richmond, Michael G.; Bhattacharya, Samaresh","Unusual chemical transformations of acetone thiosemicarbazone mediated by ruthenium: C‒H bond activation, thiolation, and C‒N bond cleavage","RSC Adv.","2014","4","3","1432","","10.1039/C3RA44329A","","","0.71073","MoKα","","0.1089","0.0611","","","0.1669","0.1947","","","","","","1.047","","","","has coordinates","244627","2020-10-21","18:00:00",""
"7239269","12.509","0.005","12.844","0.005","13.672","0.005","95.721","0.005","96.275","0.005","104.012","0.005","2100.3","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H37.5 N4.5 P2 Ru S3 -","- C42 H32 N4.5 P2 Ru S3 -","- C84 H64 N9 P4 Ru2 S6 -","2","1","","Paul, Piyali; Seth, Dipravath Kumar; Richmond, Michael G.; Bhattacharya, Samaresh","Unusual chemical transformations of acetone thiosemicarbazone mediated by ruthenium: C‒H bond activation, thiolation, and C‒N bond cleavage","RSC Adv.","2014","4","3","1432","","10.1039/C3RA44329A","","","0.71073","MoKα","","0.1145","0.063","","","0.1704","0.1944","","","","","","1.195","","","","has coordinates","244627","2020-10-21","18:00:00",""
"7239274","8.961","0.0008","11.921","0.001","16.316","0.0017","83.883","0.008","81.522","0.008","87.348","0.007","1713.3","0.3","130","2","130","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C29 H29 F6 N5 O11 S2 -","- C29 H29 F6 N5 O11 S2 -","- C58 H58 F12 N10 O22 S4 -","2","1","","Dorazco-González, Alejandro; Alamo, Marcos Flores; Godoy-Alcántar, Carolina; Höpfl, Herbert; Yatsimirsky, Anatoly K.","Fluorescent anion sensing by bisquinolinium pyridine-2,6-dicarboxamide receptors in water","RSC Adv.","2014","4","1","455","","10.1039/C3RA44363A","","x-ray","1.5418","CuKα","","0.077","0.0539","","","0.1223","0.1344","","","","","","1.059","","","","has coordinates","244630","2020-10-21","18:00:00",""
"7239275","17.214","0.0005","13.4","0.0003","14.399","0.0004","90","","103.862","0.003","90","","3224.65","0.15","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 F6 N5 O9 S2 -","- C29 H25 F6 N5 O9 S2 -","- C116 H100 F24 N20 O36 S8 -","4","1","","Dorazco-González, Alejandro; Alamo, Marcos Flores; Godoy-Alcántar, Carolina; Höpfl, Herbert; Yatsimirsky, Anatoly K.","Fluorescent anion sensing by bisquinolinium pyridine-2,6-dicarboxamide receptors in water","RSC Adv.","2014","4","1","455","","10.1039/C3RA44363A","","x-ray","1.5418","CuKα","","0.0735","0.0563","","","0.1582","0.172","","","","","","1.027","","","","has coordinates","244630","2020-10-21","18:00:00",""
"7239276","8.454","0.0003","15.135","0.0005","14.548","0.0005","90","","104.356","0.003","90","","1803.31","0.11","298","2","298","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F3 N2 O4 S -","- C18 H15 F3 N2 O4 S -","- C72 H60 F12 N8 O16 S4 -","4","1","","Dorazco-González, Alejandro; Alamo, Marcos Flores; Godoy-Alcántar, Carolina; Höpfl, Herbert; Yatsimirsky, Anatoly K.","Fluorescent anion sensing by bisquinolinium pyridine-2,6-dicarboxamide receptors in water","RSC Adv.","2014","4","1","455","","10.1039/C3RA44363A","","x-ray","1.5418","CuKα","","0.0568","0.0493","","","0.1416","0.1501","","","","","","1.041","","","","has coordinates","244630","2020-10-21","18:00:00",""
"7239277","8.2858","0.0012","8.3312","0.0012","11.568","0.0017","86.458","0.002","77.472","0.002","81.506","0.002","770.62","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 I N2 O -","- C17 H15 I N2 O -","- C34 H30 I2 N4 O2 -","2","1","","Dorazco-González, Alejandro; Alamo, Marcos Flores; Godoy-Alcántar, Carolina; Höpfl, Herbert; Yatsimirsky, Anatoly K.","Fluorescent anion sensing by bisquinolinium pyridine-2,6-dicarboxamide receptors in water","RSC Adv.","2014","4","1","455","","10.1039/C3RA44363A","","","0.71073","MoKα","","0.0361","0.0303","","","0.0701","0.0722","","","","","","1.003","","","","has coordinates","244630","2020-10-21","18:00:00",""
"7239278","9.3966","0.0018","15.386","0.003","12.114","0.002","90","","91.451","0.003","90","","1750.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 F3 N2 O4 S -","- C18 H15 F3 N2 O4 S -","- C72 H60 F12 N8 O16 S4 -","4","1","","Dorazco-González, Alejandro; Alamo, Marcos Flores; Godoy-Alcántar, Carolina; Höpfl, Herbert; Yatsimirsky, Anatoly K.","Fluorescent anion sensing by bisquinolinium pyridine-2,6-dicarboxamide receptors in water","RSC Adv.","2014","4","1","455","","10.1039/C3RA44363A","","","0.71073","MoKα","","0.0712","0.0636","","","0.1479","0.1526","","","","","","1.191","","","","has coordinates","244630","2020-10-21","18:00:00",""
"7239283","12.121","0.002","17.543","0.004","6.9785","0.0014","90","","90","","90","","1483.9","0.5","223","2","223","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C14 H14 Cd N4 O4 -","- C14 H14 Cd N4 O4 -","- C56 H56 Cd4 N16 O16 -","4","0.5","","Chen, Yanmei; Gao, Qian; Liu, Yonglu; Cao, Yanyuan; Gao, Dandan; Liu, Jinna; Zhao, Jingjing; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, crystal structures and luminescent properties of CdIIand ZnIIcomplexes assembled by 4-aminophenylhydroxamic acid","RSC Adv.","2014","4","1","147","","10.1039/C3RA44489A","","","0.71073","MoKα","","0.0233","0.019","","","0.0455","0.0488","","","","","","1.034","","","","has coordinates","244635","2020-10-21","18:00:00",""
"7239284","10.5931","0.0006","7.6567","0.0004","19.8339","0.0011","90","","93.262","0.001","90","","1606.09","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N8 O12 Zn2 -","- C28 H36 N8 O12 Zn2 -","- C56 H72 N16 O24 Zn4 -","2","0.5","","Chen, Yanmei; Gao, Qian; Liu, Yonglu; Cao, Yanyuan; Gao, Dandan; Liu, Jinna; Zhao, Jingjing; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, crystal structures and luminescent properties of CdIIand ZnIIcomplexes assembled by 4-aminophenylhydroxamic acid","RSC Adv.","2014","4","1","147","","10.1039/C3RA44489A","","","0.71073","MoKα","","0.034","0.0287","","","0.0769","0.0795","","","","","","1.063","","","","has coordinates","244635","2020-10-21","18:00:00",""
"7239285","19.7107","0.0009","19.7107","0.0009","11.0593","0.001","90","","90","","90","","4296.7","0.5","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C9 H10 N2 O4 Zn -","- C9 H10 N2 O4 Zn -","- C144 H160 N32 O64 Zn16 -","16","1","","Chen, Yanmei; Gao, Qian; Liu, Yonglu; Cao, Yanyuan; Gao, Dandan; Liu, Jinna; Zhao, Jingjing; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, crystal structures and luminescent properties of CdIIand ZnIIcomplexes assembled by 4-aminophenylhydroxamic acid","RSC Adv.","2014","4","1","147","","10.1039/C3RA44489A","","","0.71073","MoKα","","0.0369","0.034","","","0.1058","0.1082","","","","","","1.133","","","","has coordinates","244635","2020-10-21","18:00:00",""
"7239286","19.7648","0.0003","19.7648","0.0003","11.0481","0.0004","90","","90","","90","","4315.91","0.18","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C37 H44 N8 O17 Zn4 -","- C37 H40 N8 O17 Zn4 -","- C148 H160 N32 O68 Zn16 -","4","0.25","","Chen, Yanmei; Gao, Qian; Liu, Yonglu; Cao, Yanyuan; Gao, Dandan; Liu, Jinna; Zhao, Jingjing; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, crystal structures and luminescent properties of CdIIand ZnIIcomplexes assembled by 4-aminophenylhydroxamic acid","RSC Adv.","2014","4","1","147","","10.1039/C3RA44489A","","","0.71073","MoKα","","0.0386","0.0322","","","0.0947","0.1005","","","","","","1.052","","","","has coordinates,has disorder","244635","2020-10-21","18:00:00",""
"7239287","11.2663","0.0003","10.663","0.0003","13.203","0.0003","90","","90","","90","","1586.11","0.07","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H14 N O -","- C9 H14 N O -","- C72 H112 N8 O8 -","8","1","","Hoshino, Norihisa; Takeda, Takashi; Akutagawa, Tomoyuki","Multi-functional molecular rotators with dielectric, magnetic and optical responses","RSC Adv.","2014","4","2","743","","10.1039/C3RA44515A","","","1.54187","CuKα","","0.0761","0.0656","","","0.1603","0.1655","","","","","","1.133","","","","has coordinates","244636","2020-10-21","18:00:00",""
"7239288","14.6107","0.0004","24.5125","0.0007","11.319","0.0003","90","","90","","90","","4053.84","0.19","296","2","296","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3.5 -","- C192 H192 N16 O28 -","8","1","","Manna, Susanta Kumar; Mondal, Suresh Kumar; Ahmed, Atiur; Mandal, Arabinda; Jana, Atanu; Ikbal, Mohammed; Samanta, Shubhankar; Ray, Jayanta K.","One-pot synthesis of highly fluorescent polycyclic benzimidazole derivatives","RSC Adv.","2014","4","5","2474","","10.1039/C3RA44521F","","","0.71073","MoKα","","0.0805","0.0495","","","0.1576","0.1829","","","","","","1.265","","","","has coordinates","244637","2020-10-21","18:00:00",""
"7239292","13.6908","0.0015","34.25","0.004","14.9404","0.0016","90","","107.863","0.002","90","","6668","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H35 Co N2 O12.5 S2 -","- C23 H19 Co N2 O4.5 S2 -","- C184 H152 Co8 N16 O36 S16 -","8","1","","Zhang, Shuang; Sun, Ning-Xi; Li, Li; Han, Zheng-Bo; Zheng, Yan-Zhen","Two porous Co(ii) bithiophenedicarboxylate metal‒organic frameworks: from a self-interpenetrating framework to a two-fold interpenetrating α-Po topological network","RSC Advances","2014","4","11","5740","","10.1039/c3ra44559c","","","0.71073","MoKα","","0.1146","0.0501","","","0.0796","0.086","","","","","","0.998","","","","has coordinates","244639","2020-10-21","18:00:00",""
"7239293","21.584","0.002","16.652","0.001","18.176","0.002","90","","102.55","0.013","90","","6376.7","1","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C44 H66 Co2 N4 O27 S4 -","- C44 H28 Co2 N4 O8 S4 -","- C176 H112 Co8 N16 O32 S16 -","4","1","","Zhang, Shuang; Sun, Ning-Xi; Li, Li; Han, Zheng-Bo; Zheng, Yan-Zhen","Two porous Co(ii) bithiophenedicarboxylate metal‒organic frameworks: from a self-interpenetrating framework to a two-fold interpenetrating α-Po topological network","RSC Advances","2014","4","11","5740","","10.1039/c3ra44559c","","","0.71073","MoKα","","0.1401","0.0863","","","0.2128","0.2424","","","","","","1.024","","","","has coordinates,has disorder","244639","2020-10-21","18:00:00",""
"7239294","19.5855","0.0004","15.4343","0.0003","21.1972","0.0004","90","","102.275","0.0019","90","","6261.2","0.2","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H64 Cl8 O18 -","- C53 H58 O18 -","- C212 H232 O72 -","4","0.5","","Pan, Mingguang; Xue, Min","Pillar[5]arene derivatives with three different kinds of repeating units: first examples, crystal structures and selective preparation","RSC Adv.","2014","4","1","260","","10.1039/C3RA44581J","","","1.54184","CuKα","","0.061","0.0547","","","0.1448","0.1486","","","","","","1.034","","","","has coordinates","244640","2020-10-21","18:00:00",""
"7239295","21.1413","0.0007","19.5241","0.0007","24.0141","0.0012","90","","90","","90","","9912.2","0.7","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52 H54 Cl2 O18 -","- C52 H54 Cl2 O18 -","- C416 H432 Cl16 O144 -","8","1","","Pan, Mingguang; Xue, Min","Pillar[5]arene derivatives with three different kinds of repeating units: first examples, crystal structures and selective preparation","RSC Adv.","2014","4","1","260","","10.1039/C3RA44581J","","","0.71073","MoKα","","0.102","0.0643","","","0.1617","0.1858","","","","","","1.054","","","","has coordinates","244640","2020-10-21","18:00:00",""
"7239296","12.209","0.0011","12.3468","0.0011","19.3418","0.0017","84.024","0.007","87.96","0.007","61.29","0.009","2542.9","0.5","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C51.5 H51.5 Cl2 O18.25 -","- C50 H48 Cl2 O18 -","- C100 H96 Cl4 O36 -","2","1","","Pan, Mingguang; Xue, Min","Pillar[5]arene derivatives with three different kinds of repeating units: first examples, crystal structures and selective preparation","RSC Adv.","2014","4","1","260","","10.1039/C3RA44581J","","","0.71073","MoKα","","0.1436","0.0903","","","0.2604","0.2991","","","","","","1.087","","","","has coordinates","244640","2020-10-21","18:00:00",""
"7239297","12.579","0.003","14.929","0.003","15.012","0.003","64.15","0.03","77.01","0.03","73.74","0.03","2418.3","1.1","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H44 Cl4 O18 -","- C49 H44 Cl4 O18 -","- C98 H88 Cl8 O36 -","2","1","","Pan, Mingguang; Xue, Min","Pillar[5]arene derivatives with three different kinds of repeating units: first examples, crystal structures and selective preparation","RSC Adv.","2014","4","1","260","","10.1039/C3RA44581J","","","0.71073","MoKα","","0.1746","0.1228","","","0.3212","0.4015","","","","","","1.418","","","","has coordinates","244640","2020-10-21","18:00:00",""
"7239298","12.101","0.002","15.262","0.003","15.448","0.003","91.89","0.03","95.89","0.03","101.88","0.03","2772.9","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H119 Cl8 N O36 -","- C107.99 H119 Cl7.99 N O36 -","- C107.99 H119 Cl7.99 N O36 -","1","0.5","","Pan, Mingguang; Xue, Min","Pillar[5]arene derivatives with three different kinds of repeating units: first examples, crystal structures and selective preparation","RSC Adv.","2014","4","1","260","","10.1039/C3RA44581J","","","0.71073","MoKα","","0.1475","0.1214","","","0.3832","0.4225","","","","","","1.752","","","","has coordinates,has disorder","244640","2020-10-21","18:00:00",""
"7239306","8.411","0.003","10.33","0.004","28.478","0.011","90","","91.758","0.007","90","","2473.2","1.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Cl N2 O3 -","- C28 H27 Cl N2 O3 -","- C112 H108 Cl4 N8 O12 -","4","1","","Revathy, Krishnan; Lalitha, Appaswami","An efficient green chemistry protocol for the synthesis of novel spiropyrrolizidine compounds","RSC Adv.","2014","4","1","279","","10.1039/C3RA44627A","","","0.71073","MoKα","","0.1153","0.0808","","","0.1668","0.1838","","","","","","1.076","","","","has coordinates","244644","2020-10-21","18:00:00",""
"7239307","12.2924","0.0013","25.473","0.003","14.2689","0.0015","90","","109.771","0.002","90","","4204.6","0.8","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cl N2 O2 -","- C25 H21 Cl N2 O2 -","- C200 H168 Cl8 N16 O16 -","8","2","","Revathy, Krishnan; Lalitha, Appaswami","An efficient green chemistry protocol for the synthesis of novel spiropyrrolizidine compounds","RSC Adv.","2014","4","1","279","","10.1039/C3RA44627A","","","0.71073","MoKα","","0.1252","0.1101","","","0.193","0.1992","","","","","","1.357","","","","has coordinates","244644","2020-10-21","18:00:00",""
"7239309","8.195","0.0002","9.6329","0.0002","17.085","0.0005","101.708","0.001","103.83","0.002","94.223","0.002","1271.74","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 Cl4 Mn2 N8 O18 -","- C42 H52 Cl4 Mn2 N8 O18 -","- C42 H52 Cl4 Mn2 N8 O18 -","1","0.5","","Saravanan, Natarajan; Sankaralingam, Muniyandi; Palaniandavar, Mallayan","Manganese(ii) complexes of tetradentate 4N ligands with diazepane backbones for catalytic olefin epoxidation: effect of nucleophilicity of peroxo complexes on reactivity","RSC Adv.","2014","4","23","12000","","10.1039/C3RA44729D","","","0.71073","MoKα","","0.0789","0.0635","","","0.2212","0.2454","","","","","","1.008","","","","has coordinates","244646","2020-10-21","18:00:00",""
"7239320","15.4838","0.0006","13.2567","0.0005","7.8274","0.0003","90","","98.951","0.002","90","","1587.12","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Kotipalli, Trimurtulu; Kavala, Veerababurao; Janreddy, Donala; Kuo, Chun-Wei; Kuo, Ting-Shen; Huang, Hsiu-Ni; He, Chiu-Hui; Yao, Ching-Fa","Syntheses of indolo[1,2-a]quinazolinone derivatives via palladium catalyzed intramolecular C‒H amidation","RSC Adv.","2014","4","5","2274","","10.1039/C3RA44798G","","","0.71073","MoKα","","0.0618","0.0377","","","0.0994","0.1363","","","","","","0.704","","","","has coordinates","244649","2020-10-21","18:00:00",""
"7239322","3.7225","0.0006","14.857","0.003","27.524","0.004","90","","90","","90","","1522.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H N4 O2 -","- C21 H12 N4 O2 -","- C84 H48 N16 O8 -","4","1","","Li, Bo; Yue, Zhizhou; Xiang, Haoyue; Lv, Linlin; Song, Shanshan; Miao, Zehong; Yang, Chunhao","Catalyst-free synthesis of benzofuran-fused pyrido[4,3-d]pyrimidines from 2-(2-hydroxyaryl)acetonitrile and 4,6-dichloropyrimidine-5-carbaldehyde through domino condensation reactions","RSC Adv.","2014","4","1","358","","10.1039/C3RA44828B","","","0.71073","MoKα","","0.1197","0.0931","","","0.1219","0.1261","","","","","","1.874","","","","has coordinates","244651","2020-10-21","18:00:00",""
"7239323","3.8285","0.0015","21.348","0.008","22.566","0.01","78.7","0.03","90","","90","","1808.6","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H34 N8 O8 -","- C46 H32 N8 O8 -","- C92 H64 N16 O16 -","2","1","","Li, Bo; Yue, Zhizhou; Xiang, Haoyue; Lv, Linlin; Song, Shanshan; Miao, Zehong; Yang, Chunhao","Catalyst-free synthesis of benzofuran-fused pyrido[4,3-d]pyrimidines from 2-(2-hydroxyaryl)acetonitrile and 4,6-dichloropyrimidine-5-carbaldehyde through domino condensation reactions","RSC Adv.","2014","4","1","358","","10.1039/C3RA44828B","","","0.71073","MoKα","","0.3507","0.0735","","","0.072","0.1323","","","","","","0.759","","","","has coordinates","244651","2020-10-21","18:00:00",""
"7239324","15.0672","0.0017","6.7903","0.0008","13.0874","0.0015","90","","107.667","0.002","90","","1275.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C56 H60 N4 O28 -","4","1","","En, Da; Guo, Yuan; Chen, Bo-Ting; Dong, Biao; Peng, Meng-Jiao","Coumarin-derived Fe3±selective fluorescent turn-off chemosensors: synthesis, properties, and applications in living cells","RSC Adv.","2014","4","1","248","","10.1039/C3RA44843F","","","0.71073","MoKα","","0.059","0.0405","","","0.1054","0.1308","","","","","","1.07","","","","has coordinates","244652","2020-10-21","18:00:00",""
"7239325","12.4688","0.0007","10.2492","0.0006","16.9379","0.0009","90","","97.094","0.005","90","","2148","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 N4 O2 -","- C27 H20 N4 O2 -","- C108 H80 N16 O8 -","4","1","","Bagdi, Prasanta Ray; Basha, R. Sidick; Baruah, Pranjal Kumar; Khan, Abu T.","Copper oxide nanoparticle mediated ‘click chemistry’ for the synthesis of mono-, bis- and tris-triazole derivatives from 10,10-dipropargyl-9-anthrone as a key building block","RSC Advances","2014","4","21","10652","","10.1039/c3ra44869j","","","0.71073","MoKα","","0.1181","0.0634","","","0.1559","0.1991","","","","","","1.021","","","","has coordinates","244653","2020-10-21","18:00:00",""
"7239326","17.5453","0.0009","9.9306","0.0006","18.578","0.001","90","","108.562","0.002","90","","3068.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27.05 N8 O5.53 -","- C34 H27.05 N8 O5.525 -","- C136 H108.2 N32 O22.1 -","4","1","","Bagdi, Prasanta Ray; Basha, R. Sidick; Baruah, Pranjal Kumar; Khan, Abu T.","Copper oxide nanoparticle mediated ‘click chemistry’ for the synthesis of mono-, bis- and tris-triazole derivatives from 10,10-dipropargyl-9-anthrone as a key building block","RSC Advances","2014","4","21","10652","","10.1039/c3ra44869j","","","0.71073","MoKα","","0.095","0.0446","","","0.1055","0.1218","","","","","","0.901","","","","has coordinates","244653","2020-10-21","18:00:00",""
"7239329","5.7158","0.0002","9.9633","0.0004","11.1928","0.0004","108.896","0.002","92.553","0.002","90.149","0.002","602.36","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C28 H32 N4 O2 -","2","1","","Majji, Ganesh; Rout, Saroj Kumar; Guin, Srimanta; Gogoi, Anupal; Patel, Bhisma K.","Iodine-catalysed oxidative cyclisation of acylhydrazones to 2,5-substituted 1,3,4-oxadiazoles","RSC Advances","2014","4","11","5357","","10.1039/c3ra44897e","","","0.71073","MoKα","","0.0483","0.0384","","","0.1139","0.1213","","","","","","1.062","","","","has coordinates","244655","2020-10-21","18:00:00",""
"7239330","12.8565","0.0007","13.821","0.0007","8.0271","0.0004","90","","98.229","0.005","90","","1411.65","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 6-propyl-9H-carbazole-3-carboxylate","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Rasheed, Sk.; Rao, D. Nageswar; Reddy, K. Ranjith; Aravinda, S.; Vishwakarma, Ram A.; Das, Parthasarathi","C‒N bond formation via Cu-catalyzed cross-coupling with boronic acids leading to methyl carbazole-3-carboxylate: synthesis of carbazole alkaloids","RSC Advances","2014","4","10","4960","","10.1039/c3ra44903c","","","0.71073","MoKα","","0.0856","0.052","","","0.1298","0.1561","","","","","","1.059","","","","has coordinates","244656","2020-10-21","18:00:00",""
"7239334","15.2615","0.0009","16.0717","0.0007","16.9595","0.0008","90","","90","","90","","4159.8","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H20 N2 -","- C29 H20 N2 -","- C232 H160 N16 -","8","1","","Thanikachalam, V.; Arunpandiyan, A.; Jayabharathi, J.; Ramanathan, P.","Photophysical properties of the intramolecular excited charge-transfer states of π-expanded styryl phenanthrimidazoles ‒ effect of solvent polarity","RSC Adv.","2014","4","13","6790","","10.1039/C3RA44994G","","","0.71073","MoKα","","0.0599","0.0365","","","0.0861","0.1017","","","","","","1.025","","","","has coordinates","244659","2020-10-21","18:00:00",""
"7239335","12.665","0.003","8.8588","0.0019","14.424","0.003","90","","110.803","0.003","90","","1512.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Br2 O4 S2 -","- C13 H10 Br2 O4 S2 -","- C52 H40 Br8 O16 S8 -","4","1","","Tusy, Chuong; Huang, Lili; Jin, Jingpeng; Xia, Jiangbin","Synthesis and investigation of novel thiophene derivatives containing heteroatom linkers for solid state polymerization","RSC Advances","2014","4","16","8011","","10.1039/c3ra45014g","","","0.71073","MoKα","","0.1002","0.0643","","","0.1745","0.2005","","","","","","1.054","","","","has coordinates","244660","2020-10-21","18:00:00",""
"7239336","13.2636","0.0018","10.1957","0.0013","27.784","0.004","90","","90","","90","","3757.3","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Br2 O4 S2 Si -","- C14 H14 Br2 O4 S2 Si -","- C112 H112 Br16 O32 S16 Si8 -","8","1","","Tusy, Chuong; Huang, Lili; Jin, Jingpeng; Xia, Jiangbin","Synthesis and investigation of novel thiophene derivatives containing heteroatom linkers for solid state polymerization","RSC Advances","2014","4","16","8011","","10.1039/c3ra45014g","","","0.71073","MoKα","","0.0982","0.0517","","","0.1038","0.1223","","","","","","1.01","","","","has coordinates","244660","2020-10-21","18:00:00",""
"7239337","14.6939","0.0012","9.2288","0.0007","15.8097","0.0012","90","","104.924","0.001","90","","2071.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 I2 O4 P S2 -","- C18 H13 I2 O4 P S2 -","- C72 H52 I8 O16 P4 S8 -","4","1","","Tusy, Chuong; Huang, Lili; Jin, Jingpeng; Xia, Jiangbin","Synthesis and investigation of novel thiophene derivatives containing heteroatom linkers for solid state polymerization","RSC Advances","2014","4","16","8011","","10.1039/c3ra45014g","","","0.71073","MoKα","","0.0321","0.0253","","","0.0532","0.0564","","","","","","1.019","","","","has coordinates","244660","2020-10-21","18:00:00",""
"7239338","16.903","0.008","28.697","0.013","8.005","0.004","90","","90","","90","","3883","3","296","2","296","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C14 H14 I2 O4 S2 Si -","- C14 H14 I2 O4 S2 Si -","- C112 H112 I16 O32 S16 Si8 -","8","1","","Tusy, Chuong; Huang, Lili; Jin, Jingpeng; Xia, Jiangbin","Synthesis and investigation of novel thiophene derivatives containing heteroatom linkers for solid state polymerization","RSC Advances","2014","4","16","8011","","10.1039/c3ra45014g","","","0.71073","MoKα","","0.0854","0.0741","","","0.1931","0.2056","","","","","","1.05","","","","has coordinates","244660","2020-10-21","18:00:00",""
"7239339","11.2731","0.0008","10.6669","0.0007","22.7178","0.0015","90","","91.852","0.002","90","","2730.4","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 O6 -","- C34 H28 O6 -","- C136 H112 O24 -","4","1","","Xu, Yuewen; Xu, Weiwei L.; Smith, Mark D.; Shimizu, Linda S.","Self-assembly and ring-opening metathesis polymerization of a bifunctional carbonate‒stilbene macrocycle","RSC Adv.","2014","4","4","1675","","10.1039/C3RA45055D","","","0.71073","MoKα","","0.0649","0.0394","","","0.0755","0.084","","","","","","0.912","","","","has coordinates","244661","2020-10-21","18:00:00",""
"7239340","10.9128","0.0008","11.6446","0.0008","12.421","0.0009","97.081","0.001","100.513","0.001","98.806","0.001","1514.93","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H30 Cl2 O6 -","- C35 H30 Cl2 O6 -","- C70 H60 Cl4 O12 -","2","1","","Xu, Yuewen; Xu, Weiwei L.; Smith, Mark D.; Shimizu, Linda S.","Self-assembly and ring-opening metathesis polymerization of a bifunctional carbonate‒stilbene macrocycle","RSC Adv.","2014","4","4","1675","","10.1039/C3RA45055D","","","0.71073","MoKα","","0.0603","0.0492","","","0.1362","0.1449","","","","","","1.065","","","","has coordinates","244661","2020-10-21","18:00:00",""
"7239341","14.555","0.004","5.669","0.0016","18.31","0.005","90","","96.521","0.006","90","","1501","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 O7 -","- C38 H36 O7 -","- C76 H72 O14 -","2","0.5","","Xu, Yuewen; Xu, Weiwei L.; Smith, Mark D.; Shimizu, Linda S.","Self-assembly and ring-opening metathesis polymerization of a bifunctional carbonate‒stilbene macrocycle","RSC Adv.","2014","4","4","1675","","10.1039/C3RA45055D","","","0.71073","MoKα","","0.0548","0.0416","","","0.0942","0.1011","","","","","","1.022","","","","has coordinates,has disorder","244661","2020-10-21","18:00:00",""
"7239342","14.5074","0.0004","11.5459","0.0004","21.8496","0.0008","90","","96.259","0.003","90","","3638","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Complex 1","","","- C38 H30 N6 O8 Zn2 -","- C38 H30 N6 O8 Zn2 -","- C152 H120 N24 O32 Zn8 -","4","0.5","","Jena, Himanshu Sekhar","Diastereoselective self-assembly of heterochiral Zn(ii) complexes of racemic Schiff bases in a chiral self-discriminating process: effect of non-covalent interactions on solid state structural self-assembly","RSC Adv.","2014","4","6","3028","","10.1039/C3RA45082A","","","0.71073","MoKα","","0.0306","0.0276","","","0.0694","0.0716","","","","","","1.004","","","","has coordinates","244662","2020-10-21","18:00:00",""
"7239343","14.3323","0.0003","9.2491","0.0002","15.9719","0.0003","90","","123.457","0.001","90","","1766.42","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Complex 2","","","- C38 H30 N10 O2 Zn2 -","- C38 H30 N10 O2 Zn2 -","- C76 H60 N20 O4 Zn4 -","2","0.5","","Jena, Himanshu Sekhar","Diastereoselective self-assembly of heterochiral Zn(ii) complexes of racemic Schiff bases in a chiral self-discriminating process: effect of non-covalent interactions on solid state structural self-assembly","RSC Adv.","2014","4","6","3028","","10.1039/C3RA45082A","","","0.71073","MoKα","","0.0516","0.0516","","","0.1187","0.1187","","","","","","1.372","","","","has coordinates","244662","2020-10-21","18:00:00",""
"7239344","8.8651","0.0003","8.9933","0.0003","11.754","0.0004","88.581","0.002","80.825","0.002","83.676","0.002","919.46","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Complex 3","","","- C40 H30 N6 O2 S2 Zn2 -","- C40 H30 N6 O2 S2 Zn2 -","- C40 H30 N6 O2 S2 Zn2 -","1","0.5","","Jena, Himanshu Sekhar","Diastereoselective self-assembly of heterochiral Zn(ii) complexes of racemic Schiff bases in a chiral self-discriminating process: effect of non-covalent interactions on solid state structural self-assembly","RSC Adv.","2014","4","6","3028","","10.1039/C3RA45082A","","","0.71073","MoKα","","0.0393","0.0304","","","0.0881","0.1026","","","","","","1.002","","","","has coordinates","244662","2020-10-21","18:00:00",""
"7239345","22.625","0.003","8.3854","0.0008","22.904","0.003","90","","114.515","0.013","90","","3953.6","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Complex 4","","","- C46 H34 N6 O8 Zn2 -","- C46 H34 N6 O8 Zn2 -","- C184 H136 N24 O32 Zn8 -","4","0.5","","Jena, Himanshu Sekhar","Diastereoselective self-assembly of heterochiral Zn(ii) complexes of racemic Schiff bases in a chiral self-discriminating process: effect of non-covalent interactions on solid state structural self-assembly","RSC Adv.","2014","4","6","3028","","10.1039/C3RA45082A","","","0.71073","MoKα","","0.0998","0.0459","","","0.0844","0.0981","","","","","","1.021","","","","has coordinates","244662","2020-10-21","18:00:00",""
"7239346","11.0381","0.001","13.9811","0.0012","13.0736","0.0011","90","","96.529","0.005","90","","2004.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Complex 5","","","- C46 H34 N10 O2 Zn2 -","- C46 H34 N10 O2 Zn2 -","- C92 H68 N20 O4 Zn4 -","2","0.5","","Jena, Himanshu Sekhar","Diastereoselective self-assembly of heterochiral Zn(ii) complexes of racemic Schiff bases in a chiral self-discriminating process: effect of non-covalent interactions on solid state structural self-assembly","RSC Adv.","2014","4","6","3028","","10.1039/C3RA45082A","","","0.71073","MoKα","","0.0552","0.0375","","","0.096","0.1054","","","","","","1.01","","","","has coordinates","244662","2020-10-21","18:00:00",""
"7239347","24.6911","0.0018","10.2087","0.0008","20.4419","0.0015","90","","90","","90","","5152.7","0.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Complex 6","","","- C27 H24 N4 O2 S Zn -","- C27 H24 N4 O2 S Zn -","- C216 H192 N32 O16 S8 Zn8 -","8","1","","Jena, Himanshu Sekhar","Diastereoselective self-assembly of heterochiral Zn(ii) complexes of racemic Schiff bases in a chiral self-discriminating process: effect of non-covalent interactions on solid state structural self-assembly","RSC Adv.","2014","4","6","3028","","10.1039/C3RA45082A","","","0.71073","MoKα","","0.1044","0.0564","","","0.1201","0.1418","","","","","","1.034","","","","has coordinates","244662","2020-10-21","18:00:00",""
"7239351","12.8518","0.0004","16.4858","0.0006","22.2701","0.0007","78.66","0.003","73.634","0.003","82.764","0.003","4426.3","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H112 F12 N4 O20 P2 -","- C83 H112 F12 N4 O20 P2 -","- C166 H224 F24 N8 O40 P4 -","2","1","","Chi, Xiaodong; Xue, Min","Inclusion [2]complexes based on a pillar[5]arene with mono(ethylene oxide) substituents and vinylogous viologens","RSC Adv.","2014","4","1","365","","10.1039/C3RA45169K","","","1.54184","CuKα","","0.0834","0.0687","","","0.1797","0.1912","","","","","","1.066","","","","has coordinates","244664","2020-10-21","18:00:00",""
"7239352","9.4104","0.001","9.6627","0.0009","10.6311","0.001","78.191","0.005","66.629","0.006","89.263","0.005","866.08","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cl N O3 -","- C21 H18 Cl N O3 -","- C42 H36 Cl2 N2 O6 -","2","1","","Das, Deb K.; Sarkar, Satavisha; Khan, Abu T.; Saravanan, Parameswaran; Patra, Sanjukta","Synthesis of fused tetrahydropyrido[2,3-c]coumarin derivatives as potential inhibitors for dopamine d3 receptors, catalyzed by hydrated ferric sulfate","RSC Adv.","2014","4","7","3581","","10.1039/C3RA45174G","","","0.71073","MoKα","","0.0504","0.0384","","","0.0815","0.0865","","","","","","1.004","","","","has coordinates","244665","2020-10-21","18:00:00",""
"7239353","11.8099","0.0005","9.7399","0.0005","12.737","0.0006","90","","93.828","0.002","90","","1461.83","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Das, Deb K.; Sarkar, Satavisha; Khan, Abu T.; Saravanan, Parameswaran; Patra, Sanjukta","Synthesis of fused tetrahydropyrido[2,3-c]coumarin derivatives as potential inhibitors for dopamine d3 receptors, catalyzed by hydrated ferric sulfate","RSC Adv.","2014","4","7","3581","","10.1039/C3RA45174G","","","0.71073","MoKα","","0.092","0.0503","","","0.1131","0.1292","","","","","","1.031","","","","has coordinates","244665","2020-10-21","18:00:00",""
"7239354","10","0.001","15.6555","0.0016","16.5447","0.0016","115.226","0.01","101.302","0.008","98.774","0.009","2214.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N6 O2 -","- C26 H20 N6 O2 -","- C104 H80 N24 O8 -","4","2","","Singh, Divya Pratap; Allam, Bharat Kumar; Singh, Krishna Nand; Singh, Vinod Prasad","A binuclear Mn(ii) complex as an efficient catalyst for transamidation of carboxamides with amines","RSC Adv.","2014","4","3","1155","","10.1039/C3RA45176C","","","0.71073","MoKα","","0.3186","0.0766","","","0.0814","0.1401","","","","","","0.91","","","","has coordinates","244666","2020-10-21","18:00:00",""
"7239355","11.6403","0.0009","12.6172","0.001","12.7323","0.0009","60.362","0.002","73.137","0.002","63.765","0.002","1451.75","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H44 Cl0 Mn2 N12 O16 -","- C56 H44 Mn2 N12 O16 -","- C56 H44 Mn2 N12 O16 -","1","0.5","","Singh, Divya Pratap; Allam, Bharat Kumar; Singh, Krishna Nand; Singh, Vinod Prasad","A binuclear Mn(ii) complex as an efficient catalyst for transamidation of carboxamides with amines","RSC Adv.","2014","4","3","1155","","10.1039/C3RA45176C","","","0.71073","MoKα","","0.1092","0.0776","","","0.2243","0.259","","","","","","1.085","","","","has coordinates","244666","2020-10-21","18:00:00",""
"7239356","14.0952","0.0013","10.0541","0.0009","14.1685","0.0013","90","","111.818","0.001","90","","1864.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C92 H88 N8 O12 -","4","1","","Bhat, Subrahmanya Ishwar; Trivedi, Darshak R.","A highly efficient and green cascade synthesis of 3-methyl-substituted-4-hydroxy-1-methyl-quinolin-2(1H)-ones under solvent- and catalyst-free conditions","RSC Advances","2014","4","22","11300","","10.1039/c3ra45208e","","","0.71073","MoKα","","0.0487","0.0382","","","0.1009","0.1068","","","","","","1.063","","","","has coordinates","244667","2020-10-21","18:00:00",""
"7239357","9.3769","0.0016","10.441","0.002","14.992","0.003","90.311","0.002","106.74","0.003","104.011","0.002","1359.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Fe2 N16 Ni O4 -","- C48 H44 Fe2 N16 Ni O4 -","- C48 H44 Fe2 N16 Ni O4 -","1","0.5","","Zhou, Hongbo; Yan, Jiahao; Shen, Xiaoping; Zhou, Hu; Yuan, Aihua","Low dimensional cyano-bridged heterobimetallic M‒FeIII(M = NiII, CuII) complexes constructed from Mer-[FeIII(qcq)(CN)3]−building blocks: syntheses, structures and magnetic properties","RSC Adv.","2014","4","1","61","","10.1039/C3RA45218B","","","0.71073","MoKα","","0.1016","0.0607","","","0.1175","0.1297","","","","","","1.054","","","","has coordinates","244668","2020-10-21","18:00:00",""
"7239358","25.8501","0.0015","16.246","0.002","19.5463","0.0013","90","","121.075","0.004","90","","7030.7","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H78 Fe2 N18 Ni O6 -","- C66 H78 Fe2 N18 Ni O6 -","- C264 H312 Fe8 N72 Ni4 O24 -","4","0.5","","Zhou, Hongbo; Yan, Jiahao; Shen, Xiaoping; Zhou, Hu; Yuan, Aihua","Low dimensional cyano-bridged heterobimetallic M‒FeIII(M = NiII, CuII) complexes constructed from Mer-[FeIII(qcq)(CN)3]−building blocks: syntheses, structures and magnetic properties","RSC Adv.","2014","4","1","61","","10.1039/C3RA45218B","","","0.71073","MoKα","","0.07","0.0509","","","0.1203","0.1257","","","","","","1.033","","","","has coordinates","244668","2020-10-21","18:00:00",""
"7239359","10.283","0.002","12.391","0.003","13.032","0.003","107.05","0.03","94.67","0.03","94.81","0.03","1572.1","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H63.22 Cu Fe2 N18 O2.61 -","- C60 H62 Cu Fe2 N18 O2.606 -","- C60 H62 Cu Fe2 N18 O2.606 -","1","0.5","","Zhou, Hongbo; Yan, Jiahao; Shen, Xiaoping; Zhou, Hu; Yuan, Aihua","Low dimensional cyano-bridged heterobimetallic M‒FeIII(M = NiII, CuII) complexes constructed from Mer-[FeIII(qcq)(CN)3]−building blocks: syntheses, structures and magnetic properties","RSC Adv.","2014","4","1","61","","10.1039/C3RA45218B","","","0.71073","MoKα","","0.0893","0.075","","","0.1525","0.1601","","","","","","1.016","","","","has coordinates,has disorder","244668","2020-10-21","18:00:00",""
"7239360","10.35","0.002","12.023","0.003","12.921","0.003","101.583","0.003","94.969","0.003","94.44","0.003","1561.8","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H67.5 Cu Fe2 N18 O6.75 -","- C58 H58 Cu Fe2 N18 O6.746 -","- C58 H58 Cu Fe2 N18 O6.746 -","1","0.5","","Zhou, Hongbo; Yan, Jiahao; Shen, Xiaoping; Zhou, Hu; Yuan, Aihua","Low dimensional cyano-bridged heterobimetallic M‒FeIII(M = NiII, CuII) complexes constructed from Mer-[FeIII(qcq)(CN)3]−building blocks: syntheses, structures and magnetic properties","RSC Adv.","2014","4","1","61","","10.1039/C3RA45218B","","","0.71073","MoKα","","0.0719","0.048","","","0.1248","0.1356","","","","","","1.069","","","","has coordinates,has disorder","244668","2020-10-21","18:00:00",""
"7239361","5.9752","0.0009","25.124","0.004","13.832","0.0017","90","","97.08","0.009","90","","2060.6","0.5","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C13 H10 N2 -","- C13 H10 N2 -","- C104 H80 N16 -","8","2","","Khatun, Nilufa; Gogoi, Anupal; Basu, Pallabita; Das, Prasenjit; Patel, Bhisma K.","CuO nanoparticle catalysed synthesis of 2H-indazoles under ligand free conditions","RSC Adv.","2014","4","8","4080","","10.1039/C3RA45298K","","","0.71073","MoKα","","0.137","0.0681","","","0.2066","0.2543","","","","","","1.009","","","","has coordinates","244669","2020-10-21","18:00:00",""
"7239369","10.53","0.0012","12.5823","0.0015","15.1214","0.0018","99.573","0.002","108.832","0.002","97.267","0.002","1834.6","0.4","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","jonjk13","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","2","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.0583","0.0429","","","0.1102","0.1208","","","","","","1.033","","","","has coordinates","244671","2020-10-21","18:00:00",""
"7239370","8.4671","0.0019","23.82","0.005","8.7557","0.0018","90","","99.09","0.005","90","","1743.7","0.6","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","jonjk48","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","1","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.1076","0.0516","","","0.0938","0.1126","","","","","","1.006","","","","has coordinates","244671","2020-10-21","18:00:00",""
"7239371","12.226","0.002","15.112","0.003","18.934","0.003","90","","90","","90","","3498.2","1.1","100","0.5","100","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","jonjk66","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C160 H192 N16 O32 -","8","1","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.0914","0.0527","","","0.1255","0.1465","","","","","","1.036","","","","has coordinates","244671","2020-10-21","18:00:00",""
"7239372","9.9208","0.0019","13.015","0.003","13.699","0.003","78.473","0.004","82.317","0.004","83.248","0.004","1710","0.6","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","jonjk59","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","2","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.1231","0.062","","","0.1337","0.1631","","","","","","0.992","","","","has coordinates","244671","2020-10-21","18:00:00",""
"7239373","13.3622","0.0017","30.607","0.004","8.5678","0.0011","90","","92.242","0.003","90","","3501.3","0.8","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","jonjk60, 3-P21/c","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C176 H152 N8 O24 -","8","2","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.1191","0.0584","","","0.1282","0.1503","","","","","","0.931","","","","has coordinates","244671","2020-10-21","18:00:00",""
"7239374","10.8867","0.0006","11.7612","0.0007","19.4486","0.0011","90","","100.178","0.001","90","","2451","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","jonjk56","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","1","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.1086","0.0515","","","0.0969","0.121","","","","","","1.005","","","","has coordinates","244671","2020-10-21","18:00:00",""
"7239375","13.031","0.004","5.3646","0.0017","22.323","0.007","90","","99.179","0.006","90","","1540.5","0.8","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonjk70","","","- C15 H19 N O5 S -","- C15 H19 N O5 S -","- C60 H76 N4 O20 S4 -","4","1","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.0945","0.0528","","","0.097","0.1117","","","","","","1.041","","","","has coordinates","244671","2020-10-21","18:00:00",""
"7239376","9.0505","0.0018","23.669","0.005","8.6237","0.0018","90","","97.838","0.004","90","","1830.1","0.7","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","jonjk62","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.1121","0.0619","","","0.1275","0.147","","","","","","1.029","","","","has coordinates","244671","2020-10-21","18:00:00",""
"7239377","8.2312","0.0016","9.912","0.002","23","0.005","81.845","0.004","87.012","0.004","89.587","0.003","1855","0.7","173","0.5","173","0.5","","","","","","","","4","P -1","-P 1","2","jonjk61","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","2","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.1722","0.0663","","","0.1259","0.1646","","","","","","0.961","","","","has coordinates","244671","2020-10-21","18:00:00",""
"7239378","11.6386","0.0008","19.1068","0.0013","11.7615","0.0008","90","","94.728","0.001","90","","2606.6","0.3","100","0.5","100","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","jonjk63","","","- C31 H30 N2 O4 -","- C31 H30 N2 O4 -","- C124 H120 N8 O16 -","4","2","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.1029","0.0559","","","0.1155","0.1372","","","","","","1.022","","","","has coordinates,has disorder","244671","2020-10-21","18:00:00",""
"7239379","6.2208","0.0003","12.7931","0.0005","13.3551","0.0005","113.491","0.002","91.551","0.002","97.433","0.002","962.95","0.07","296","2","296","2","","","","","","","synthesis","4","P -1","-P 1","2","","","","- C24 H17 N O4 -","- C24 H17 N O4 -","- C48 H34 N2 O8 -","2","1","","Banerjee, Arghya; Bera, Anupam; Santra, Sourav Kumar; Guin, Srimanta; Patel, Bhisma K.","Palladium-catalysed regioselective aroylation and acetoxylation of 3,5-diarylisoxazole via ortho C‒H functionalisations","RSC Advances","2014","4","17","8558","","10.1039/c3ra45403g","","x-ray","0.71073","MoKα","","0.0441","0.0338","","","0.0825","0.0893","","","","","","1.07","","","","has coordinates","244672","2020-10-21","18:00:00",""
"7239380","8.8993","0.0011","10.4759","0.0013","11.0032","0.0014","70.643","0.007","72.001","0.005","73.148","0.007","900.1","0.2","296","2","296","2","","","","","","","synthesis","4","P -1","-P 1","2","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C46 H34 N2 O6 -","2","1","","Banerjee, Arghya; Bera, Anupam; Santra, Sourav Kumar; Guin, Srimanta; Patel, Bhisma K.","Palladium-catalysed regioselective aroylation and acetoxylation of 3,5-diarylisoxazole via ortho C‒H functionalisations","RSC Advances","2014","4","17","8558","","10.1039/c3ra45403g","","x-ray","0.71073","MoKα","","0.198","0.177","","","0.4251","0.4315","","","","","","1.131","","","","has coordinates","244672","2020-10-21","18:00:00",""
"7239381","11.285","0.002","11.947","0.002","32.654","0.007","90","","92.262","0.004","90","","4399","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H45 Br2 Cd2 N4 O13 -","- C41 H45 Br2 Cd2 N4 O13 -","- C164 H180 Br8 Cd8 N16 O52 -","4","1","","Bisht, Kamal Kumar; Rachuri, Yadagiri; Parmar, Bhavesh; Suresh, Eringathodi","Structural and functional studies on ternary coordination polymers from 5-bromoisophthalate and imidazole based flexible linker","RSC Advances","2014","4","14","7352","","10.1039/c3ra45411h","","","0.71073","MoKα","","0.1036","0.0863","","","0.1724","0.1788","","","","","","1.239","","","","has coordinates","244673","2020-10-21","18:00:00",""
"7239382","9.298","0.003","10.903","0.003","13.375","0.004","75.732","0.005","76.533","0.005","70.13","0.005","1219.2","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Br Cu N4 O5 -","- C25 H25 Br Cu N4 O5 -","- C50 H50 Br2 Cu2 N8 O10 -","2","1","","Bisht, Kamal Kumar; Rachuri, Yadagiri; Parmar, Bhavesh; Suresh, Eringathodi","Structural and functional studies on ternary coordination polymers from 5-bromoisophthalate and imidazole based flexible linker","RSC Advances","2014","4","14","7352","","10.1039/c3ra45411h","","","0.71073","MoKα","","0.0776","0.056","","","0.1172","0.1269","","","","","","1.018","","","","has coordinates","244673","2020-10-21","18:00:00",""
"7239383","9.32","0.003","10.402","0.003","13.855","0.005","76.135","0.006","75.941","0.006","71.167","0.006","1214","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Br N4 Ni O5 -","- C25 H25 Br N4 Ni O5 -","- C50 H50 Br2 N8 Ni2 O10 -","2","1","","Bisht, Kamal Kumar; Rachuri, Yadagiri; Parmar, Bhavesh; Suresh, Eringathodi","Structural and functional studies on ternary coordination polymers from 5-bromoisophthalate and imidazole based flexible linker","RSC Advances","2014","4","14","7352","","10.1039/c3ra45411h","","","0.71073","MoKα","","0.1318","0.0859","","","0.1358","0.1524","","","","","","1.091","","","","has coordinates","244673","2020-10-21","18:00:00",""
"7239384","12.401","0.005","13.345","0.005","13.37","0.005","62.968","0.004","89.294","0.005","70.227","0.004","1828.1","1.2","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H48 Co2 N16 O44 Si W12 -","- C48 H40 Co2 N16 O44 Si W12 -","- C48 H40 Co2 N16 O44 Si W12 -","1","1","","Yu, Tingting; Wang, Kun; Ma, Huiyuan; Pang, Haijun; Li, Shaobin","Assembly of co-bimb-polyoxotungstate hybrids: from 1D chain to 3D framework influenced by the charge of Keggin anions","RSC Adv.","2014","4","5","2235","","10.1039/C3RA45456H","","","0.71069","MoKα","","0.0527","0.051","","","0.1344","0.1361","","","","","","1.047","","","","has coordinates","244674","2020-10-21","18:00:00",""
"7239385","13.27","0.005","15.06","0.005","21.186","0.005","91.802","0.005","103.098","0.005","112.44","0.005","3779","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H45 B Co2 N16 O42 W12 -","- C48 H40 B Co2 N16 O41 W12 -","- C96 H80 B2 Co4 N32 O82 W24 -","2","1","","Yu, Tingting; Wang, Kun; Ma, Huiyuan; Pang, Haijun; Li, Shaobin","Assembly of co-bimb-polyoxotungstate hybrids: from 1D chain to 3D framework influenced by the charge of Keggin anions","RSC Adv.","2014","4","5","2235","","10.1039/C3RA45456H","","","0.71069","MoKα","","0.0921","0.0546","","","0.1312","0.1534","","","","","","1.023","","","","has coordinates","244674","2020-10-21","18:00:00",""
"7239386","17.159","0.003","8.7584","0.0013","20.018","0.003","90","","109.581","0.002","90","","2834.4","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl2 F N3 O3 -","- C30 H26 Cl2 F N3 O3 -","- C120 H104 Cl8 F4 N12 O12 -","4","1","","Chen, Xuebing; Zhu, Li; Fang, Li; Yan, Shengjiao; Lin, Jun","Catalyst-free concise synthesis of imidazo[1,2-a]pyrrolo[3,4-e]pyridine derivatives","RSC Advances","2014","4","20","9926","","10.1039/c3ra45485a","","","0.71073","MoKα","","0.131","0.0596","","","0.1492","0.1929","","","","","","1","","","","has coordinates","244675","2020-10-21","18:00:00",""
"7239387","7.6917","0.0005","7.9492","0.0006","13.3098","0.0007","86.424","0.005","87.503","0.005","63","0.008","723.58","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-(4-bromophenyl)-5-ethyl-6-methyl-4H-thieno[2,3-d][1,3]oxazin-4-one","","- C15 H12 Br N O2 S -","- C15 H12 Br N O2 S -","- C30 H24 Br2 N2 O4 S2 -","2","1","","Mugnaini, Claudia; Pedani, Valentina; Giunta, Daniela; Sechi, Barbara; Solinas, Maurizio; Casti, Alberto; Castelli, Maria Paola; Giorgi, Gianluca; Corelli, Federico","Synthesis, structural properties, and pharmacological evaluation of 2-(acylamino)thiophene-3-carboxamides and analogues thereof","RSC Adv.","2014","4","4","1782","","10.1039/C3RA45546G","","","0.71073","MoKα","","0.0623","0.0323","","","0.0628","0.0666","","","","","","0.86","","","","has coordinates","244676","2020-10-21","18:00:00",""
"7239388","14.3353","0.0018","3.7996","0.0005","22.573","0.004","90","","99.223","0.014","90","","1213.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-chlorophenyl)pyrrolo[3,2-d][1,3]oxazin-4(5H)-one x methanol","","- C13 H11 Cl N2 O3 -","- C13 H11 Cl N2 O3 -","- C52 H44 Cl4 N8 O12 -","4","1","","Mugnaini, Claudia; Pedani, Valentina; Giunta, Daniela; Sechi, Barbara; Solinas, Maurizio; Casti, Alberto; Castelli, Maria Paola; Giorgi, Gianluca; Corelli, Federico","Synthesis, structural properties, and pharmacological evaluation of 2-(acylamino)thiophene-3-carboxamides and analogues thereof","RSC Adv.","2014","4","4","1782","","10.1039/C3RA45546G","","","0.71073","MoKα","","0.3125","0.0464","","","0.0287","0.0459","","","","","","0.591","","","","has coordinates,has disorder","244676","2020-10-21","18:00:00",""
"7239389","7.0093","0.0005","11.713","0.0009","13.5092","0.0009","95.828","0.006","99.665","0.006","96.264","0.006","1078.67","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-methyl-6-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C48 H36 N12 O8 -","4","2","","Mugnaini, Claudia; Pedani, Valentina; Giunta, Daniela; Sechi, Barbara; Solinas, Maurizio; Casti, Alberto; Castelli, Maria Paola; Giorgi, Gianluca; Corelli, Federico","Synthesis, structural properties, and pharmacological evaluation of 2-(acylamino)thiophene-3-carboxamides and analogues thereof","RSC Adv.","2014","4","4","1782","","10.1039/C3RA45546G","","","0.71073","MoKα","","0.1165","0.0403","","","0.069","0.0789","","","","","","0.74","","","","has coordinates","244676","2020-10-21","18:00:00",""
"7239390","7.7353","0.0005","13.449","0.0011","13.933","0.002","75.851","0.009","80.947","0.009","80.713","0.007","1376.5","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Fe4 O6 Te2 -","- C26 H18 Fe4 O6 Te2 -","- C52 H36 Fe8 O12 Te4 -","2","1","","Mathur, Pradeep; Tauqeer, Mohd.; Ji, Radhe Shyam; Lahiri, Goutam K.; Mobin, Shaikh M.","Some unusual reactions of metal carbonyls with (Z)-1-ferrocenyltelluro-1-ferrocenyl-4-ferrocenyl-1-buten-3-yne","RSC Advances","2014","4","14","6878","","10.1039/c3ra45580g","","","0.71073","MoKα","","0.0404","0.0371","","","0.0945","0.098","","","","","","1.054","","","","has coordinates","244677","2020-10-21","18:00:00",""
"7239391","22.3039","0.0003","22.5704","0.0003","16.485","0.0002","90","","102.921","0.001","90","","8088.55","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H56 Fe12 O20 Te2 -","- C88 H56 Fe12 O20 Te2 -","- C352 H224 Fe48 O80 Te8 -","4","1","","Mathur, Pradeep; Tauqeer, Mohd.; Ji, Radhe Shyam; Lahiri, Goutam K.; Mobin, Shaikh M.","Some unusual reactions of metal carbonyls with (Z)-1-ferrocenyltelluro-1-ferrocenyl-4-ferrocenyl-1-buten-3-yne","RSC Advances","2014","4","14","6878","","10.1039/c3ra45580g","","","0.71073","MoKα","","0.0518","0.0323","","","0.0605","0.0678","","","","","","1.033","","","","has coordinates","244677","2020-10-21","18:00:00",""
"7239392","12.2811","0.0001","16.5388","0.0001","19.0771","0.0001","90","","89.822","0.001","90","","3874.82","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H30 Cl2 Fe5 O6 Te -","- C41 H30 Cl2 Fe5 O6 Te -","- C164 H120 Cl8 Fe20 O24 Te4 -","4","1","","Mathur, Pradeep; Tauqeer, Mohd.; Ji, Radhe Shyam; Lahiri, Goutam K.; Mobin, Shaikh M.","Some unusual reactions of metal carbonyls with (Z)-1-ferrocenyltelluro-1-ferrocenyl-4-ferrocenyl-1-buten-3-yne","RSC Advances","2014","4","14","6878","","10.1039/c3ra45580g","","","0.71073","MoKα","","0.0266","0.0216","","","0.0491","0.0515","","","","","","1.054","","","","has coordinates","244677","2020-10-21","18:00:00",""
"7239393","15.4026","0.0004","11.2473","0.0003","22.2283","0.0005","90","","108.394","0.002","90","","3654.04","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H33 Fe3 O3 P -","- C45 H33 Fe3 O3 P -","- C180 H132 Fe12 O12 P4 -","4","1","","Mathur, Pradeep; Tauqeer, Mohd.; Ji, Radhe Shyam; Lahiri, Goutam K.; Mobin, Shaikh M.","Some unusual reactions of metal carbonyls with (Z)-1-ferrocenyltelluro-1-ferrocenyl-4-ferrocenyl-1-buten-3-yne","RSC Advances","2014","4","14","6878","","10.1039/c3ra45580g","","","0.71073","MoKα","","0.0619","0.0453","","","0.1133","0.1263","","","","","","1.068","","","","has coordinates","244677","2020-10-21","18:00:00",""
"7239394","12.4459","0.0012","16.7817","0.0012","19.1562","0.0012","90","","91.587","0.007","90","","3999.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 Cl2 Fe5 O6 Te -","- C41 H29 Cl2 Fe5 O6 Te -","- C164 H116 Cl8 Fe20 O24 Te4 -","4","1","","Mathur, Pradeep; Tauqeer, Mohd.; Ji, Radhe Shyam; Lahiri, Goutam K.; Mobin, Shaikh M.","Some unusual reactions of metal carbonyls with (Z)-1-ferrocenyltelluro-1-ferrocenyl-4-ferrocenyl-1-buten-3-yne","RSC Advances","2014","4","14","6878","","10.1039/c3ra45580g","","","0.71073","MoKα","","0.1182","0.0784","","","0.1927","0.2386","","","","","","1.033","","","","has coordinates","244677","2020-10-21","18:00:00",""
"7239396","14.6762","0.0014","8.8145","0.0008","17.7485","0.0016","90","","92.436","0.002","90","","2293.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl N4 O6 Zn -","- C23 H26 Cl N4 O6 Zn -","- C92 H104 Cl4 N16 O24 Zn4 -","4","1","","Huang, Feihu; Feng, Guoqiang","Highly selective and controllable pyrophosphate induced anthracene-excimer formation in water","RSC Adv.","2014","4","1","484","","10.1039/C3RA45681A","","","0.71073","MoKα","","0.0591","0.0402","","","0.1055","0.1194","","","","","","1.092","","","","has coordinates,has disorder","244679","2020-10-21","18:00:00",""
"7239397","10.543","0.004","11.55","0.004","21.298","0.008","90","","90","","90","","2593.5","1.7","93","","93","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Ag Cl N O4 S3 -","- C24 H27 Ag Cl N O4 S3 -","- C96 H108 Ag4 Cl4 N4 O16 S12 -","4","1","","Hiruta, Yuki; Watanabe, Takafumi; Nakamura, Etsuko; Iwasawa, Naoko; Sato, Hiroyasu; Hamada, Kensaku; Citterio, Daniel; Suzuki, Koji","Steric hindrance effects in tripodal ligands for extraction and back-extraction of Ag+","RSC Advances","2014","4","19","9791","","10.1039/c3ra45700a","","","0.71075","MoKα","","","0.0202","","","","0.0478","","","","","","0.98","","","","has coordinates","244680","2020-10-21","18:00:00",""
"7239398","15.5989","0.0017","15.5989","0.0017","11.1271","0.0009","90","","90","","120","","2344.8","0.4","93","","93","","","","","","","","","7","R 3 :H","R 3","146","","","","- C30 H39 Ag Cl N O4 S3 -","- C30 H39 Ag Cl N O4 S3 -","- C90 H117 Ag3 Cl3 N3 O12 S9 -","3","0.333333","","Hiruta, Yuki; Watanabe, Takafumi; Nakamura, Etsuko; Iwasawa, Naoko; Sato, Hiroyasu; Hamada, Kensaku; Citterio, Daniel; Suzuki, Koji","Steric hindrance effects in tripodal ligands for extraction and back-extraction of Ag+","RSC Advances","2014","4","19","9791","","10.1039/c3ra45700a","","","0.71075","MoKα","","","0.0388","","","","0.098","","","","","","1.104","","","","has coordinates","244680","2020-10-21","18:00:00",""
"7239399","8.7579","0.0008","10.0549","0.0009","16.4135","0.0015","104.343","0.002","94.619","0.002","106.2","0.002","1327.2","0.2","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C31 H31 N O6 -","- C31 H31 N O6 -","- C62 H62 N2 O12 -","2","1","","Hussain, M. Kamil; Ansari, M. Imran; Yadav, N.; Gupta, Puneet K.; Gupta, A. K.; Saxena, R.; Fatima, I.; Manohar, M.; Kushwaha, P.; Khedgikar, V.; Gautam, J.; Kant, Ruchir; Maulik, P. R.; Trivedi, R.; Dwivedi, A.; Kumar, K. Ravi; Saxena, A. K.; Hajela, K.","Design and synthesis of ERα/ERβ selective coumarin and chromene derivatives as potential anti-breast cancer and anti-osteoporotic agents","RSC Adv.","2014","4","17","8828","","10.1039/C3RA45749D","","","0.71073","MoKα","","0.0671","0.0514","","","0.1419","0.1548","","","","","","1.034","","","","has coordinates","244681","2020-10-21","18:00:00",""
"7239400","5.9565","0.0009","14.401","0.002","19.337","0.003","90","","90","","90","","1658.7","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 F3 N O2 S -","- C15 H18 F3 N O2 S -","- C60 H72 F12 N4 O8 S4 -","4","1","","Xie, Chen; Mei, Haibo; Wu, Lingmin; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","LDA-promoted asymmetric synthesis of β-trifluoromethyl-β-amino indanone derivatives with virtually complete stereochemical outcome","RSC Adv.","2014","4","9","4763","","10.1039/C3RA45773G","","","0.71073","MoKα","","0.0823","0.0448","","","0.0922","0.0998","","","","","","1.009","","","","has coordinates","244683","2020-10-21","18:00:00",""
"7239401","9.6442","0.0012","14.035","0.0013","15.9534","0.0018","90","","91.025","0.009","90","","2159","0.4","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C25 H21 N3 O6 -","- C25 H21 N3 O6 -","- C100 H84 N12 O24 -","4","1","","Ahadi, Somayeh; Kamranifard, Telma; Armaghan, Mahsa; Khavasi, Hamid Reza; Bazgir, Ayoob","Domino Knoevenagel condensation‒Michael addition‒cyclization for the diastereoselective synthesis of dihydrofuropyrido[2,3-d]pyrimidines via pyridinium ylides in water","RSC Advances","2014","4","14","7296","","10.1039/c3ra45795h","","","0.71073","MoKα","","0.1308","0.0641","","","0.143","0.1675","","","","","","0.958","","","","has coordinates","244684","2020-10-21","18:00:00",""
"7239402","6.2396","0.0012","10.686","0.002","16.23","0.003","93.23","0.03","93.54","0.03","101.83","0.03","1054.5","0.4","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 N4 O S -","- C25 H20 N4 O S -","- C50 H40 N8 O2 S2 -","2","1","","Tsikalas, George K.; Lazarou, Penelope; Klontzas, Emmanuel; Pergantis, Spiros A.; Spanopoulos, Ioannis; Trikalitis, Pantelis N.; Froudakis, George E.; Katerinopoulos, Haralambos E.","A “turn-on”‒turning-to-ratiometric sensor for zinc(ii) ions in aqueous media","RSC Adv.","2014","4","2","693","","10.1039/C3RA45796F","","","0.71073","MoKα","","0.2401","0.094","","","0.1802","0.2196","","","","","","0.827","","","","has coordinates","244685","2020-10-21","18:00:00",""
"7239403","6.0659","0.0007","15.2611","0.0019","19.086","0.002","90","","98.971","0.002","90","","1745.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","","Soria, Lorena; Ovejero, Paloma; Cano, Mercedes; Heras, José Vicente; Torres, M. Rosario; Claramunt, Rosa; Cornago, Pilar","Coordination behaviour of new dipyridylpyrazole ligands towards ZnCl2and PdCl2fragments. Crystalline structural characterization and multinuclear NMR studies as evidence of linkage and conformational isomers","RSC Adv.","2014","4","18","9383","","10.1039/C3RA45821K","","","0.71073","MoKα","","0.1861","0.0674","","","0.1569","0.1876","","","","","","0.998","","","","has coordinates","244686","2020-10-21","18:00:00",""
"7239404","13.105","0.003","21.483","0.005","8.0777","0.0019","90","","103.413","0.004","90","","2212.1","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 N4 O Zn -","- C20 H16 Cl2 N4 O Zn -","- C80 H64 Cl8 N16 O4 Zn4 -","4","1","","Soria, Lorena; Ovejero, Paloma; Cano, Mercedes; Heras, José Vicente; Torres, M. Rosario; Claramunt, Rosa; Cornago, Pilar","Coordination behaviour of new dipyridylpyrazole ligands towards ZnCl2and PdCl2fragments. Crystalline structural characterization and multinuclear NMR studies as evidence of linkage and conformational isomers","RSC Adv.","2014","4","18","9383","","10.1039/C3RA45821K","","","0.71073","MoKα","","0.1856","0.0822","","","0.1895","0.2039","","","","","","0.998","","","","has coordinates","244686","2020-10-21","18:00:00",""
"7239405","11.693","0.0011","13.833","0.0011","28.947","0.003","90","","96.969","0.003","90","","4647.6","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cl4 N4 O Pd -","- C21 H16 Cl4 N4 O Pd -","- C168 H128 Cl32 N32 O8 Pd8 -","8","1","","Soria, Lorena; Ovejero, Paloma; Cano, Mercedes; Heras, José Vicente; Torres, M. Rosario; Claramunt, Rosa; Cornago, Pilar","Coordination behaviour of new dipyridylpyrazole ligands towards ZnCl2and PdCl2fragments. Crystalline structural characterization and multinuclear NMR studies as evidence of linkage and conformational isomers","RSC Adv.","2014","4","18","9383","","10.1039/C3RA45821K","","","0.71073","MoKα","","0.1027","0.0513","","","0.133","0.1487","","","","","","0.998","","","","has coordinates,has disorder","244686","2020-10-21","18:00:00",""
"7239406","10.2191","0.0008","11.418","0.001","24.491","0.002","90","","100.554","0.002","90","","2809.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N6 O2 Ti -","- C28 H34 N6 O2 Ti -","- C112 H136 N24 O8 Ti4 -","4","1","","Lin, Miaoshui; Cao, Yuhua; Pei, Hao; Chen, Yanmei; Wu, Jian; Li, Yahong; Liu, Wei","Titanium isopropoxide complexes supported by pyrrolyl Schiff base ligands: syntheses, structures, and antitumor activity","RSC Advances","2014","4","18","9255","","10.1039/c3ra45823g","","","0.71073","MoKα","","0.0739","0.0668","","","0.1842","0.1906","","","","","","1.026","","","","has coordinates,has disorder","244687","2020-10-21","18:00:00",""
"7239407","10.268","0.002","11.468","0.003","24.648","0.006","90","","100.635","0.004","90","","2852.5","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N4 O2 Ti -","- C30 H36 N4 O2 Ti -","- C120 H144 N16 O8 Ti4 -","4","1","","Lin, Miaoshui; Cao, Yuhua; Pei, Hao; Chen, Yanmei; Wu, Jian; Li, Yahong; Liu, Wei","Titanium isopropoxide complexes supported by pyrrolyl Schiff base ligands: syntheses, structures, and antitumor activity","RSC Advances","2014","4","18","9255","","10.1039/c3ra45823g","","","0.71073","MoKα","","0.0987","0.0894","","","0.2296","0.2362","","","","","","1.109","","","","has coordinates,has disorder","244687","2020-10-21","18:00:00",""
"7239412","10.5046","0.0003","10.5322","0.0004","12.3574","0.0004","90.927","0.001","91.222","0.002","99.924","0.002","1346.14","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Br2 N2 O7 S -","- C24 H22 Br2 N2 O7 S -","- C48 H44 Br4 N4 O14 S2 -","2","1","","Kiruthika, Selvarangam E.; Perumal, Paramasivan T.","One-pot four-component approach for the construction of dihydropyridines and dihydropyridinones using amines and activated alkynes","RSC Adv.","2014","4","8","3758","","10.1039/C3RA45850D","","","0.71073","MoKα","","0.0709","0.0498","","","0.1304","0.1462","","","","","","1.051","","","","has coordinates,has disorder","244689","2020-10-21","18:00:00",""
"7239413","12.5132","0.0009","9.0524","0.0004","14.4988","0.001","90","","111.345","0.008","90","","1529.69","0.19","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","1","","Windle, Jonathan; Allison, Matthew; Shepherd, Helena; Sridharan, Visuvanathar","Sequential one-pot three component rhodium-catalysed isomerisation/1,3-dipolar cycloaddition cascades to fused-ring heterocycles","RSC Adv.","2014","4","6","2624","","10.1039/C3RA45906C","","","1.5418","CuKα","","0.0511","0.0422","","","0.1025","0.1111","","","","","","1.048","","","","has coordinates","244690","2020-10-21","18:00:00",""
"7239415","12.13","0.02","12.3","0.02","13.15","0.02","111.064","0.003","102.557","0.011","111.48","0.03","1560","4","100","2","100","2","","","","","","","Javier Jaramillo-Garcia","5","P -1","-P 1","2","","","","- C28 H42 F13 N O2 -","- C28 H42 F13 N O2 -","- C56 H84 F26 N2 O4 -","2","1","","Busschaert, Nathalie; Jaramillo-Garcia, Javier; Light, Mark E.; Herniman, Julie; Langley, G. John; Gale, Philip A.","An anion-binding fluorinated alcohol isophthalamide isostere","RSC Advances","2014","4","11","5389","","10.1039/C3RA45956J","","","0.71073","MoKα","","0.1735","0.1271","","","0.3357","0.389","","","","","","1.176","","","","has coordinates,has disorder","244692","2020-10-21","18:00:00",""
"7239416","7.7525","0.0006","14.2782","0.001","10.7005","0.0008","90","","107.11","0.007","90","","1132.03","0.15","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H25 F12 N O2 -","- C20 H25 F12 N O2 -","- C40 H50 F24 N2 O4 -","2","0.5","","Busschaert, Nathalie; Jaramillo-Garcia, Javier; Light, Mark E.; Herniman, Julie; Langley, G. John; Gale, Philip A.","An anion-binding fluorinated alcohol isophthalamide isostere","RSC Advances","2014","4","11","5389","","10.1039/C3RA45956J","","","0.71075","MoKα","","0.0333","0.0293","","","0.0751","0.0778","","","","","","1.077","","","","has coordinates,has disorder","244692","2020-10-21","18:00:00",""
"7239417","10.867","0.009","12.175","0.008","14.662","0.012","111.01","0.04","102.34","0.07","101.96","0.05","1681","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H42 Cl F12 N O2 -","- C28 H42 Cl F12 N O2 -","- C56 H84 Cl2 F24 N2 O4 -","2","1","","Busschaert, Nathalie; Jaramillo-Garcia, Javier; Light, Mark E.; Herniman, Julie; Langley, G. John; Gale, Philip A.","An anion-binding fluorinated alcohol isophthalamide isostere","RSC Advances","2014","4","11","5389","","10.1039/C3RA45956J","","","0.71075","MoKα","","0.0553","0.042","","","0.0931","0.0989","","","","","","0.933","","","","has coordinates","244692","2020-10-21","18:00:00",""
"7239419","6.8829","0.0014","10.916","0.002","13.941","0.003","101.31","0.03","103.97","0.03","96.41","0.03","982.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cd N10 O -","- C16 H18 Cd N10 O -","- C32 H36 Cd2 N20 O2 -","2","1","","Luo, Yang-Hui; Wu, Dong-En; Ge, Shu-Wang; Li, Yuan; Sun, Bai-Wang","Mixed azide and substituted 1,2,4-triazole co-ligand bridged 1D chain cadmium(ii) motif: crystal structure, Hirshfeld surfaces and spectroscopic studies","RSC Advances","2014","4","23","11698","","10.1039/c3ra46125d","","","0.71073","MoKα","","0.0755","0.0576","","","0.1528","0.1661","","","","","","1.09","","","","has coordinates","244694","2020-10-21","18:00:00",""
"7239420","17.924","0.007","14.035","0.006","5.888","0.002","90","","90","","90","","1481.2","1","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H17 F N2 -","- C18 H17 F N2 -","- C72 H68 F4 N8 -","4","1","","Pal, Gargi; Paul, Sanjay; Ghosh, Partha Pratim; Das, Asish R.","PhIO promoted synthesis of nitrile imines and nitrile oxides within a micellar core in aqueous media: a regiocontrolled approach to synthesizing densely functionalized pyrazole and isoxazoline derivatives","RSC Advances","2014","4","16","8300","","10.1039/c3ra46129g","","","0.71073","MoKα","","0.0627","0.0438","","","0.0995","0.1117","","","","","","0.996","","","","has coordinates","244695","2020-10-21","18:00:00",""
"7239421","30.75","0.03","10.556","0.009","8.407","0.007","90","","104.36","0.01","90","","2644","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 Br N O -","- C15 H12 Br N O -","- C120 H96 Br8 N8 O8 -","8","1","","Pal, Gargi; Paul, Sanjay; Ghosh, Partha Pratim; Das, Asish R.","PhIO promoted synthesis of nitrile imines and nitrile oxides within a micellar core in aqueous media: a regiocontrolled approach to synthesizing densely functionalized pyrazole and isoxazoline derivatives","RSC Advances","2014","4","16","8300","","10.1039/c3ra46129g","","","0.71073","MoKα","","0.1844","0.0868","","","0.2361","0.2858","","","","","","1.048","","","","has coordinates","244695","2020-10-21","18:00:00",""
"7239422","15.585","0.0007","17.9285","0.0007","17.981","0.0008","90","","90","","90","","5024.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Cl O9 -","- C24 H31 Cl O9 -","- C192 H248 Cl8 O72 -","8","2","","Lei, Hui; Sun, Jian-Fan; Han, Zhuang; Zhou, Xue-Feng; Yang, Bin; Liu, Yonghong","Fragilisinins A‒L, new briarane-type diterpenoids from gorgonian Junceella fragilis","RSC Advances","2014","4","10","5261","","10.1039/c3ra46163g","","","0.71073","MoKα","","0.0865","0.043","","","0.0912","0.1116","","","","","","1.022","","","","has coordinates","244696","2020-10-21","18:00:00",""
"7239423","9.384","0.002","10.889","0.003","11.239","0.003","65.601","0.004","82.825","0.003","74.204","0.002","1006.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","3-Benzyl-2-(4-fluoro-phenyl)-3-(1H-pyrrol-2-yl)-2,3-dihydro-isoindol-1-one","","","- C25 H19 F N2 O -","- C25 H19 F N2 O -","- C50 H38 F2 N4 O2 -","2","1","","Sarkar, Swarbhanu; Chatterjee, Nivedita; Roy, Manas; Pal, Rammyani; Sarkar, Sabyasachi; Sen, Asish Kumar","Nanodomain cubic cuprous oxide as reusable catalyst in one-pot synthesis of 3-alkyl/aryl-3-(pyrrole-2-yl/indole-3-yl)-2-phenyl-2,3-dihydro-isoindolinones in aqueous medium","RSC Advances","2014","4","14","7024","","10.1039/c3ra46168h","","","0.71073","MoKα","","0.176","0.0643","","","0.1765","0.2151","","","","","","1.487","","","","has coordinates","244697","2020-10-21","18:00:00",""
"7239424","14.53","0.002","9.0116","0.0013","19.199","0.003","90","","96.039","0.002","90","","2499.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H61 N2 O10 Sn2 -","- C53 H61 N2 O10 Sn2 -","- C106 H122 N4 O20 Sn4 -","2","0.5","","Xiao, Xiao; Yan, Lisong; Mei, Zemin; Zhu, Dongsheng; Xu, Lin","Two novel macrocyclic organotin(iv) carboxylates based on amide carboxylic acids","RSC Adv.","2014","4","6","3096","","10.1039/C3RA46198J","","","0.71073","MoKα","","0.0416","0.0292","","","0.0711","0.0775","","","","","","1.024","","","","has coordinates","244698","2020-10-21","18:00:00",""
"7239425","12.5992","0.0012","30.212","0.003","19.973","0.0019","90","","92.32","0.002","90","","7596.4","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H77 N3 O19 Sn3 -","- C72 H75 N3 O19 Sn3 -","- C288 H300 N12 O76 Sn12 -","4","0.5","","Xiao, Xiao; Yan, Lisong; Mei, Zemin; Zhu, Dongsheng; Xu, Lin","Two novel macrocyclic organotin(iv) carboxylates based on amide carboxylic acids","RSC Adv.","2014","4","6","3096","","10.1039/C3RA46198J","","","0.71073","MoKα","","0.1112","0.0647","","","0.1624","0.1892","","","","","","1.036","","","","has coordinates","244698","2020-10-21","18:00:00",""
"7239426","5.5189","0.0008","9.8023","0.0015","15.11","0.002","93.688","0.002","92.037","0.002","90.788","0.002","815.1","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H14 N2 O3 -","- C21 H14 N2 O3 -","- C42 H28 N4 O6 -","2","1","","Yu, Fu-Chao; Chen, Zhi-Qiong; Hao, Xiao-Pan; Yan, Sheng-Jiao; Huang, Rong; Lin, Jun","Regioselective synthesis of 9,10-dihydro-6H-chromeno[4,3-d]imidazo-[1,2-a]pyridin-6-one derivatives","RSC Advances","2014","4","12","6110","","10.1039/c3ra46428h","","","0.71073","MoKα","","0.0785","0.0446","","","0.1099","0.1234","","","","","","1.016","","","","has coordinates","244699","2020-10-21","18:00:00",""
"7239427","10.361","0.002","11.572","0.003","11.8258","0.0015","101.396","0.015","90.972","0.013","104.51","0.02","1342.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N2 Te2 -","- C28 H34 N2 Te2 -","- C56 H68 N4 Te4 -","2","1","","Ahmad, Sohail; Yadav, Kumar Karitkey; Singh, Sarangthem Joychandra; Chauhan, S. M. S.","Synthesis of 5,10,15,20-meso-unsubstituted and 5,10,15,20-meso-substituted-21,23-ditellura/diselena core-modified porphyrinogens: oxidation and detection of mercury(ii)","RSC Adv.","2014","4","7","3171","","10.1039/C3RA46491A","","","0.71073","MoKα","","0.0848","0.0713","","","0.1865","0.2017","","","","","","0.656","","","","has coordinates","244700","2020-10-21","18:00:00",""
"7239428","10.4111","0.0003","11.3929","0.0004","19.3963","0.0006","90","","109.976","0.002","90","","2162.23","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N2 O S3 -","- C20 H23 N2 O S3 -","- C80 H92 N8 O4 S12 -","4","1","","Barakat, Assem; Al-Majid, Abdullah M.; AL-Najjar, Hany J.; Mabkhot, Yahia N.; Ghabbour, Hazem A.; Fun, Hoong-Kun","An efficient and green procedure for synthesis of rhodanine derivatives by aldol-thia-Michael protocol using aqueous diethylamine medium","RSC Advances","2014","4","10","4909","","10.1039/c3ra46551a","","","1.54178","CuKα","","0.051","0.0452","","","0.1215","0.1266","","","","","","1.024","","","","has coordinates,has disorder","244701","2020-10-21","18:00:00",""
"7239429","10.796","0.0003","13.0807","0.0004","14.6416","0.0004","90","","126.696","0.002","90","","1657.9","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O S2 -","- C14 H18 N2 O S2 -","- C56 H72 N8 O4 S8 -","4","1","","Barakat, Assem; Al-Majid, Abdullah M.; AL-Najjar, Hany J.; Mabkhot, Yahia N.; Ghabbour, Hazem A.; Fun, Hoong-Kun","An efficient and green procedure for synthesis of rhodanine derivatives by aldol-thia-Michael protocol using aqueous diethylamine medium","RSC Advances","2014","4","10","4909","","10.1039/c3ra46551a","","","1.54178","CuKα","","0.0715","0.0633","","","0.1992","0.2091","","","","","","1.103","","","","has coordinates","244701","2020-10-21","18:00:00",""
"7239430","7.3038","0.0002","13.642","0.0003","17.9671","0.0004","90","","99.589","0.002","90","","1765.2","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N2 O S2 -","- C16 H21 N2 O S2 -","- C64 H84 N8 O4 S8 -","4","1","","Barakat, Assem; Al-Majid, Abdullah M.; AL-Najjar, Hany J.; Mabkhot, Yahia N.; Ghabbour, Hazem A.; Fun, Hoong-Kun","An efficient and green procedure for synthesis of rhodanine derivatives by aldol-thia-Michael protocol using aqueous diethylamine medium","RSC Advances","2014","4","10","4909","","10.1039/c3ra46551a","","","1.54178","CuKα","","0.0527","0.045","","","0.1234","0.1294","","","","","","1.045","","","","has coordinates","244701","2020-10-21","18:00:00",""
"7239431","7.3389","0.0002","13.0121","0.0003","17.6769","0.0004","90","","100.169","0.002","90","","1661.53","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl N2 O S2 -","- C14 H16 Cl N2 O S2 -","- C56 H64 Cl4 N8 O4 S8 -","4","1","","Barakat, Assem; Al-Majid, Abdullah M.; AL-Najjar, Hany J.; Mabkhot, Yahia N.; Ghabbour, Hazem A.; Fun, Hoong-Kun","An efficient and green procedure for synthesis of rhodanine derivatives by aldol-thia-Michael protocol using aqueous diethylamine medium","RSC Advances","2014","4","10","4909","","10.1039/c3ra46551a","","","1.54178","CuKα","","0.0518","0.0451","","","0.1341","0.1395","","","","","","1.078","","","","has coordinates","244701","2020-10-21","18:00:00",""
"7239432","5.6181","0.0004","21.232","0.0019","10.8628","0.0009","90","","98.103","0.002","90","","1282.82","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","2","","Van Rossom, Wim; Matsushita, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P.","New synthesis of unsymmetrically-substituted 2,5-diarylpyrroles from homopropargyl sulfonamides","RSC Advances","2014","4","10","4897","","10.1039/c3ra46579a","","","0.71073","MoKα","","0.0579","0.0414","","","0.1013","0.1152","","","","","","1.031","","","","has coordinates","244702","2020-10-21","18:00:00",""
"7239433","10.3197","0.0009","10.5653","0.0009","10.8549","0.0009","117.738","0.009","104.82","0.007","102.452","0.007","932","0.2","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 N2 O2 S2 -","- C8 H8 N2 O2 S2 -","- C32 H32 N8 O8 S8 -","4","2","","Luo, Laichun; Meng, Lanlan; Sun, Qi; Ge, Zemei; Li, Runtao","Novel synthesis of thiazolo/thienoazepine-5,8-diones from dihalo cyclic 1,3-diketones and mercaptonitrile salts","RSC Adv.","2014","4","13","6845","","10.1039/C3RA46606J","","","0.7107","MoKα","","0.0785","0.0506","","","0.0941","0.1109","","","","","","1.003","","","","has coordinates","244703","2020-10-21","18:00:00",""
"7239434","12.6748","0.0017","12.7588","0.0008","19.564","0.003","72.332","0.01","72.079","0.013","78.863","0.008","2850.9","0.7","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H82 Mo6 N4 O19 S -","- C40.997 H82 Mo6 N4 O19 S -","- C81.994 H164 Mo12 N8 O38 S2 -","2","1","","Nasim Khan, Rao Naumaan; Mahmood, Nasir; Lv, Chunlin; Sima, Guohui; Zhang, Jin; Hao, Jian; Hou, Yanglong; Wei, Yongge","Pristine organo-imido polyoxometalates as an anode for lithium ion batteries","RSC Advances","2014","4","15","7374","","10.1039/c3ra46645k","","","0.71073","MoKα","","0.0748","0.0583","","","0.1087","0.1163","","","","","","1.154","","","","has coordinates,has disorder","244704","2020-10-21","18:00:00",""
"7239435","22.2423","0.0005","9.3087","0.0002","22.52","0.0006","90","","103.449","0.002","90","","4534.83","0.19","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C95 H74 Cl15 N3 O3 -","- C95 H74 Cl15 N3 O3 -","- C190 H148 Cl30 N6 O6 -","2","1","","Yamakado, Ryohei; Matsuoka, Shin-ichi; Suzuki, Masato; Takeuchi, Daisuke; Masu, Hyuma; Azumaya, Isao; Takagi, Koji","Synthesis, reaction, and optical properties of cyclic oligomers bearing 9,10-diphenylanthracene based on an aromatic tertiary amide unit","RSC Advances","2014","4","13","6752","","10.1039/c3ra46652c","","","1.54178","CuKα","","0.1008","0.0856","","","0.2403","0.264","","","","","","1.029","","","","has coordinates,has disorder","244705","2020-10-21","18:00:00",""
"7239436","10.5211","0.0002","13.4415","0.0003","21.8375","0.0004","92.447","0.001","96.522","0.001","111.433","0.001","2844.21","0.1","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C126 H98 Cl18 N4 O4 -","- C126 H98 Cl18 N4 O4 -","- C126 H98 Cl18 N4 O4 -","1","0.5","","Yamakado, Ryohei; Matsuoka, Shin-ichi; Suzuki, Masato; Takeuchi, Daisuke; Masu, Hyuma; Azumaya, Isao; Takagi, Koji","Synthesis, reaction, and optical properties of cyclic oligomers bearing 9,10-diphenylanthracene based on an aromatic tertiary amide unit","RSC Advances","2014","4","13","6752","","10.1039/c3ra46652c","","","1.54178","CuKα","","0.1174","0.0905","","","0.2627","0.2948","","","","","","1.039","","","","has coordinates,has disorder","244705","2020-10-21","18:00:00",""
"7239437","11.9742","0.0004","13.6564","0.0005","24.0532","0.0009","89.32","0.003","79.331","0.003","84.985","0.003","3850.5","0.2","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H72 Br12 O12 -","- C66 H72 Br12 O12 -","- C132 H144 Br24 O24 -","2","1","","Yao, Yong; Li, Jinying; Dai, Jing; Chi, Xiaodong; Xue, Min","A water-soluble pillar[6]arene: synthesis, host‒guest chemistry, controllable self-assembly, and application in controlled release","RSC Advances","2014","4","18","9039","","10.1039/c3ra46681g","","","0.71073","MoKα","","0.0789","0.0455","","","0.0995","0.1094","","","","","","0.993","","","","has coordinates,has disorder","244706","2020-10-21","18:00:00",""
"7239438","10.3914","0.0012","11.2801","0.0014","10.7843","0.0013","90","","107.418","0.004","90","","1206.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Br N O -","- C13 H14 Br N O -","- C52 H56 Br4 N4 O4 -","4","1","","Pathak, Sudipta; Kundu, Ashis; Pramanik, Animesh","Monobromomalononitrile: an efficient regioselective mono brominating agent towards active methylene compounds and enamines under mild conditions","RSC Adv.","2014","4","20","10180","","10.1039/C3RA46687F","","","0.71073","MoKα","","0.0961","0.0428","","","0.0996","0.1185","","","","","","0.987","","","","has coordinates","244707","2020-10-21","18:00:00",""
"7239439","9.9209","0.0013","9.2391","0.0013","22.868","0.003","90","","90","","90","","2096.1","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H Br N O2 -","- C10 H10 Br N O2 -","- C80 H80 Br8 N8 O16 -","8","1","","Pathak, Sudipta; Kundu, Ashis; Pramanik, Animesh","Monobromomalononitrile: an efficient regioselective mono brominating agent towards active methylene compounds and enamines under mild conditions","RSC Adv.","2014","4","20","10180","","10.1039/C3RA46687F","","","0.71073","MoKα","","0.0762","0.0466","","","0.1321","0.1631","","","","","","0.88","","","","has coordinates","244707","2020-10-21","18:00:00",""
"7239440","8.1495","0.0016","12.326","0.002","13.247","0.003","63.004","0.003","76.91","0.002","85.28","0.003","1154.5","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Cl N3 Ni2 O8 -","- C20 H28 Cl N3 Ni2 O8 -","- C40 H56 Cl2 N6 Ni4 O16 -","2","1","","Zhou, Hong; Chen, Xiao Hong; Sun, Wen Wu; Mei, Yu; Pan, Zhi Quan","A unique coordination polymer with tetranuclear nickel(ii) units linked by macrocyclic ligands","RSC Advances","2014","4","10","5080","","10.1039/c3ra46750c","","","0.71073","MoKα","","0.0811","0.055","","","0.1084","0.1127","","","","","","1.017","","","","has coordinates","244708","2020-10-21","18:00:00",""
"7239441","5.2159","0.0003","12.5664","0.0017","17.7605","0.0019","71.456","0.011","87.369","0.007","78.324","0.008","1080.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N4 S7 -","- C18 H14 N4 S7 -","- C36 H28 N8 S14 -","2","1","","Amacher, Anneliese; Luo, Hewei; Liu, Zitong; Bircher, Martin; Cascella, Michele; Hauser, Jürg; Decurtins, Silvio; Zhang, Deqing; Liu, Shi-Xia","Electronic tuning effects via cyano substitution of a fused tetrathiafulvalene‒benzothiadiazole dyad for ambipolar transport properties","RSC Adv.","2014","4","6","2873","","10.1039/C3RA46784H","","","0.71073","MoKα","","0.0819","0.0718","","","0.2129","0.2173","","","","","","1.237","","","","has coordinates","244709","2020-10-21","18:00:00",""
"7239442","10.9246","0.001","7.0228","0.0006","14.1338","0.0012","90","","90.645","0.006","90","","1084.29","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Khatun, Nilufa; Guin, Srimanta; Rout, Saroj Kumar; Patel, Bhisma K.","Divergent reactivities of o-haloanilides with CuO nanoparticles in water: a green synthesis of benzoxazoles and o-hydroxyanilides","RSC Advances","2014","4","21","10770","","10.1039/c3ra46820h","","","0.71073","MoKα","","0.1433","0.0789","","","0.2155","0.2512","","","","","","1.174","","","","has coordinates","244710","2020-10-21","18:00:00",""
"7239443","10.3512","0.0008","14.0265","0.0011","12.8571","0.001","90","","105.177","0.005","90","","1801.6","0.2","298","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 Br N O -","- C14 H10 Br N O -","- C84 H60 Br6 N6 O6 -","6","3","","Khatun, Nilufa; Guin, Srimanta; Rout, Saroj Kumar; Patel, Bhisma K.","Divergent reactivities of o-haloanilides with CuO nanoparticles in water: a green synthesis of benzoxazoles and o-hydroxyanilides","RSC Advances","2014","4","21","10770","","10.1039/c3ra46820h","","","0.71073","MoKα","","0.1695","0.0552","","","0.1374","0.1897","","","","","","0.89","","","","has coordinates","244710","2020-10-21","18:00:00",""
"7239444","17.2079","0.0007","11.4667","0.0005","18.6877","0.0008","90","","105.196","0.004","90","","3558.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(5-methyl-4-benzoyl-2-p-tolyl-2,4-dihydro-pyrazol-3-one)V(IV) acetonitrile solvate","","- C38 H35 N5 O6 V -","- C38 H35 N5 O6 V -","- C152 H140 N20 O24 V4 -","4","1","","Parihar, Sanjay; Jadeja, R. N.; Gupta, Vivek K.","Novel oxovanadium(iv) complexes with 4-acyl pyrazolone ligands: synthesis, crystal structure and catalytic activity towards the oxidation of benzylic alcohols","RSC Advances","2014","4","20","10295","","10.1039/c3ra46896h","","","0.71073","MoKα","","0.0884","0.0522","","","0.1164","0.138","","","","","","1.022","","","","has coordinates,has disorder","244711","2020-10-21","18:00:00",""
"7239445","10.4234","0.0002","10.5165","0.0002","39.4004","0.0006","90","","90","","90","","4318.98","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C37 H61 N7 O9 S -","- C37 H61 N7 O9 S -","- C148 H244 N28 O36 S4 -","4","1","","Roy, Arup; Kotmale, Amol S.; Gawade, Rupesh L.; Puranik, Vedavati G.; Rajamohanan, P. R.; Sanjayan, Gangadhar J.","Probing the folding induction ability of orthanilic acid in peptides: some observations","RSC Advances","2014","4","25","13018","","10.1039/c3ra47039c","","","0.71073","MoKα","","0.0448","0.0399","","","0.0921","0.0944","","","","","","1.127","","","","has coordinates","244712","2020-10-21","18:00:00",""
"7239446","19.8409","0.0008","13.5269","0.0005","17.6393","0.0007","90","","108.393","0.001","90","","4492.3","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H27 Ag3 F18 Fe2 N6 O2 -","- C39 H27 Ag3 F18 Fe2 N6 O2 -","- C156 H108 Ag12 F72 Fe8 N24 O8 -","4","0.5","","Titov, Alexey A.; Filippov, Oleg A.; Guseva, Ekaterina A.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Epstein, Lina M.; Belsky, Vitaly K.; Shubina, Elena S.","Role of basic sites of substituted ferrocenes in interaction with the trinuclear 3,5-bis(trifluoromethyl)pyrazolates: thermodynamics and structure of complexes","RSC Advances","2014","4","16","8350","","10.1039/c3ra47040g","","","0.71073","MoKα","","0.0423","0.0291","","","0.0619","0.0672","","","","","","1.021","","","","has coordinates","244713","2020-10-21","18:00:00",""
"7239447","14.939","0.0005","24.6385","0.0008","10.4127","0.0003","90","","90","","90","","3832.6","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H19 Ag3 F18 Fe N6 O -","- C33 H19 Ag3 F18 Fe N6 O -","- C132 H76 Ag12 F72 Fe4 N24 O4 -","4","1","","Titov, Alexey A.; Filippov, Oleg A.; Guseva, Ekaterina A.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Epstein, Lina M.; Belsky, Vitaly K.; Shubina, Elena S.","Role of basic sites of substituted ferrocenes in interaction with the trinuclear 3,5-bis(trifluoromethyl)pyrazolates: thermodynamics and structure of complexes","RSC Advances","2014","4","16","8350","","10.1039/c3ra47040g","","","0.71073","MoKα","","0.0442","0.0318","","","0.0524","0.0567","","","","","","1.003","","","","has coordinates","244713","2020-10-21","18:00:00",""
"7239448","11.592","0.0011","16.9249","0.0016","44.395","0.004","90","","90","","90","","8710","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H27 Cu3 F18 Fe2 N6 O2 -","- C39 H27 Cu3 F18 Fe2 N6 O2 -","- C312 H216 Cu24 F144 Fe16 N48 O16 -","8","1","","Titov, Alexey A.; Filippov, Oleg A.; Guseva, Ekaterina A.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Epstein, Lina M.; Belsky, Vitaly K.; Shubina, Elena S.","Role of basic sites of substituted ferrocenes in interaction with the trinuclear 3,5-bis(trifluoromethyl)pyrazolates: thermodynamics and structure of complexes","RSC Advances","2014","4","16","8350","","10.1039/c3ra47040g","","","0.71073","MoKα","","0.0837","0.0493","","","0.0977","0.1103","","","","","","1.052","","","","has coordinates,has disorder","244713","2020-10-21","18:00:00",""
"7239449","11.818","0.006","10.447","0.005","19.261","0.01","90","","96.456","0.012","90","","2363","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 F N2 -","- C31 H23 F N2 -","- C124 H92 F4 N8 -","4","1","","Zhang, Cheng; Zhang, Lan-Xi; Qiu, Yang; Xu, Biao; Zong, Yu; Guo, Qi-Xiang","Highly efficient [3 + 2] reaction of 3-vinylindoles with 3-indolylmethanols by Brønsted-acid catalysis","RSC Advances","2014","4","14","6916","","10.1039/c3ra47056c","","","0.71073","MoKα","","0.0973","0.0542","","","0.1585","0.1832","","","","","","0.975","","","","has coordinates","244714","2020-10-21","18:00:00",""
"7239450","36.051","0.004","7.2062","0.0008","18.3332","0.0019","90","","110.194","0.004","90","","4470","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N O6 -","- C26 H23 N O6 -","- C208 H184 N8 O48 -","8","1","","Gayen, Krishnanka S.; Maiti, Dilip K.","AuCl3 catalyzed [3 + 2 + 1] cycloaddition: first use of aldehyde as a carbon monoxide-like one carbon synthon for triple C‒C coupling","RSC Advances","2014","4","20","10204","","10.1039/c3ra47093h","","","0.71073","MoKα","","0.0813","0.0517","","","0.1544","0.1871","","","","","","0.872","","","","has coordinates","244715","2020-10-21","18:00:00",""
"7239452","24.7714","0.0011","17.0229","0.0007","7.5234","0.0003","90","","90","","90","","3172.5","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H15 Au Cl P -","- C18 H15 Au Cl P -","- C144 H120 Au8 Cl8 P8 -","8","1","","Moussa, J.; Chamoreau, L. M.; Amouri, H.","Gold(i) complexes with a phosphinine ligand: synthesis and structural characterization","RSC Advances","2014","4","23","11539","","10.1039/c3ra47132b","","","0.71073","MoKα","","0.0191","0.0141","","","0.0297","0.0317","","","","","","0.906","","","","has coordinates","244717","2020-10-21","18:00:00",""
"7239453","8.7519","0.0005","12.829","0.0007","13.3912","0.0007","77.795","0.001","89.433","0.001","71.039","0.001","1387","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 Cu2 N8 O12 -","- C60 H48 Cu2 N8 O12 -","- C60 H48 Cu2 N8 O12 -","1","0.5","","Wang, Hui; Safarifard, Vahid; Wang, Si-Yao; Tu, Ling-Hui; Xiao, Hong-Ping; Huang, Bi-Feng; Li, Xin-Hua; Payehghadr, Mahmood; Morsali, Ali","Five copper(ii) metal‒organic coordination complexes with micro-channels based on flexible bis(imidazole) and carboxybenzaldehyde ligands; structural influence of experimental conditions on their frameworks","RSC Advances","2014","4","22","11423","","10.1039/c3ra47177b","","","0.71073","MoKα","","0.0649","0.0491","","","0.1611","0.1992","","","","","","1.084","","","","has coordinates","244718","2020-10-21","18:00:00",""
"7239454","15.1098","0.0019","9.1791","0.0011","23.866","0.003","90","","101.424","0.003","90","","3244.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Cu N4 O10 -","- C31 H34 Cu N4 O10 -","- C124 H136 Cu4 N16 O40 -","4","1","","Wang, Hui; Safarifard, Vahid; Wang, Si-Yao; Tu, Ling-Hui; Xiao, Hong-Ping; Huang, Bi-Feng; Li, Xin-Hua; Payehghadr, Mahmood; Morsali, Ali","Five copper(ii) metal‒organic coordination complexes with micro-channels based on flexible bis(imidazole) and carboxybenzaldehyde ligands; structural influence of experimental conditions on their frameworks","RSC Advances","2014","4","22","11423","","10.1039/c3ra47177b","","","0.71073","MoKα","","0.0759","0.0518","","","0.1543","0.1771","","","","","","1.054","","","","has coordinates","244718","2020-10-21","18:00:00",""
"7239455","10.7315","0.0009","10.9239","0.0009","12.9081","0.0018","104.097","0.003","104.031","0.003","104.282","0.002","1346.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Cu N4 O7 -","- C30 H26 Cu N4 O7 -","- C60 H52 Cu2 N8 O14 -","2","1","","Wang, Hui; Safarifard, Vahid; Wang, Si-Yao; Tu, Ling-Hui; Xiao, Hong-Ping; Huang, Bi-Feng; Li, Xin-Hua; Payehghadr, Mahmood; Morsali, Ali","Five copper(ii) metal‒organic coordination complexes with micro-channels based on flexible bis(imidazole) and carboxybenzaldehyde ligands; structural influence of experimental conditions on their frameworks","RSC Advances","2014","4","22","11423","","10.1039/c3ra47177b","","","0.71073","MoKα","","0.0963","0.0664","","","0.197","0.2296","","","","","","1.064","","","","has coordinates","244718","2020-10-21","18:00:00",""
"7239456","12.1079","0.0008","12.6464","0.0008","15.5101","0.001","81.14","0.002","67.91","0.002","62.625","0.001","1953.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H72 Cu5 N10 O32 -","- C76 H72 Cu5 N10 O32 -","- C76 H72 Cu5 N10 O32 -","1","0.5","","Wang, Hui; Safarifard, Vahid; Wang, Si-Yao; Tu, Ling-Hui; Xiao, Hong-Ping; Huang, Bi-Feng; Li, Xin-Hua; Payehghadr, Mahmood; Morsali, Ali","Five copper(ii) metal‒organic coordination complexes with micro-channels based on flexible bis(imidazole) and carboxybenzaldehyde ligands; structural influence of experimental conditions on their frameworks","RSC Advances","2014","4","22","11423","","10.1039/c3ra47177b","","","0.71073","MoKα","","0.0743","0.0571","","","0.1844","0.2433","","","","","","1.087","","","","has coordinates","244718","2020-10-21","18:00:00",""
"7239457","7.832","0.004","8.407","0.005","10.143","0.006","84.772","0.008","83.075","0.007","80.351","0.007","651.9","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cu N4 O6 -","- C30 H24 Cu N4 O6 -","- C30 H24 Cu N4 O6 -","1","0.5","","Wang, Hui; Safarifard, Vahid; Wang, Si-Yao; Tu, Ling-Hui; Xiao, Hong-Ping; Huang, Bi-Feng; Li, Xin-Hua; Payehghadr, Mahmood; Morsali, Ali","Five copper(ii) metal‒organic coordination complexes with micro-channels based on flexible bis(imidazole) and carboxybenzaldehyde ligands; structural influence of experimental conditions on their frameworks","RSC Advances","2014","4","22","11423","","10.1039/c3ra47177b","","","0.71073","MoKα","","0.0454","0.0389","","","0.127","0.1561","","","","","","1.095","","","","has coordinates","244718","2020-10-21","18:00:00",""
"7239458","8.358","0.002","6.1406","0.0018","16.069","0.004","90","","93.667","0.015","90","","823","0.4","250","2","250","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C40 H34 N6 O4 -","2","1","","Goel, Richa; Luxami, Vijay; Paul, Kamaldeep","Palladium catalyzed novel monoarylation and symmetrical/unsymmetrical diarylation of imidazo[1,2-a]pyrazines and their in vitro anticancer activities","RSC Advances","2014","4","19","9885","","10.1039/c3ra47192f","","","0.71073","MoKα","","0.1247","0.0543","","","0.0691","0.0828","","","","","","1.143","","","","has coordinates","244719","2020-10-21","18:00:00",""
"7239459","5.5494","0.0004","11.2136","0.0008","12.5273","0.001","96.086","0.003","98.854","0.004","98.261","0.003","755.7","0.1","270","2","270","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H12 Cl N3 O -","- C19 H12 Cl N3 O -","- C38 H24 Cl2 N6 O2 -","2","1","","Goel, Richa; Luxami, Vijay; Paul, Kamaldeep","Palladium catalyzed novel monoarylation and symmetrical/unsymmetrical diarylation of imidazo[1,2-a]pyrazines and their in vitro anticancer activities","RSC Advances","2014","4","19","9885","","10.1039/c3ra47192f","","","0.71073","MoKα","","0.0753","0.0454","","","0.1006","0.1122","","","","","","1.146","","","","has coordinates","244719","2020-10-21","18:00:00",""
"7239460","7.673","0.005","18.385","0.011","17.392","0.011","90","","92.942","0.007","90","","2450","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 F3 N3 O3 -","- C27 H28 F3 N3 O3 -","- C108 H112 F12 N12 O12 -","4","1","","Qiang, Dong zhi; Shi, Jing Bo; Song, Bao An; Liu, Xin Hua","Novel 2H-chromen derivatives: design, synthesis and anticancer activity","RSC Advances","2014","4","11","5607","","10.1039/c3ra47252c","","","0.71073","MoKα","","0.2482","0.1055","","","0.2152","0.2792","","","","","","1.039","","","","has coordinates","244720","2020-10-21","18:00:00",""
"7239461","7.5167","0.0011","11.28","0.003","8.1382","0.0016","90","","108.043","0.015","90","","656.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H Cl N2 S2 -","- C4 H Cl N2 S2 -","- C16 H4 Cl4 N8 S8 -","4","1","","Kalogirou, Andreas S.; Christoforou, Irene C.; Ioannidou, Heraklidia A.; Manos, Manolis J.; Koutentis, Panayiotis A.","Ring transformation of (4-chloro-5H-1,2,3-dithiazol-5-ylidene)acetonitriles to 3-haloisothiazole-5-carbonitriles","RSC Adv.","2014","4","15","7735","","10.1039/C3RA47261B","","","0.71073","MoKα","","0.0603","0.0527","","","0.1521","0.1555","","","","","","1.045","","","","has coordinates","244721","2020-10-21","18:00:00",""
"7239462","8.1226","0.0008","6.7318","0.0007","13.5987","0.0011","90","","90","","90","","743.57","0.12","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 Br Cl N2 S2 -","- C4 Br Cl N2 S2 -","- C16 Br4 Cl4 N8 S8 -","4","0.5","","Kalogirou, Andreas S.; Christoforou, Irene C.; Ioannidou, Heraklidia A.; Manos, Manolis J.; Koutentis, Panayiotis A.","Ring transformation of (4-chloro-5H-1,2,3-dithiazol-5-ylidene)acetonitriles to 3-haloisothiazole-5-carbonitriles","RSC Adv.","2014","4","15","7735","","10.1039/C3RA47261B","","","0.71073","MoKα","","0.0339","0.0274","","","0.0703","0.0715","","","","","","0.95","","","","has coordinates","244721","2020-10-21","18:00:00",""
"7239463","11.8655","0.0002","6.3477","0.0001","14.6161","0.0002","90","","97.031","0.001","90","","1092.59","0.03","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H37 N O2 -","- C25 H37 N O2 -","- C50 H74 N2 O4 -","2","1","","Jiao, Wei-Hua; Xu, Ting-Ting; Yu, Hao-Bing; Mu, Feng-Rong; Li, Jia; Li, Yu-Shan; Yang, Fan; Han, Bing-Nan; Lin, Hou-Wen","Dysidaminones A‒M, cytotoxic and NF-κB inhibitory sesquiterpene aminoquinones from the South China Sea sponge Dysidea fragilis","RSC Adv.","2014","4","18","9236","","10.1039/C3RA47265E","","","1.54178","CuKα","","0.0427","0.0408","","","0.1195","0.1225","","","","","","0.992","","","","has coordinates","244722","2020-10-21","18:00:00",""
"7239464","11.957","0.0004","12.5129","0.0004","15.4458","0.0004","90","","90","","90","","2310.95","0.12","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 N O2 -","- C26 H39 N O2 -","- C104 H156 N4 O8 -","4","1","","Jiao, Wei-Hua; Xu, Ting-Ting; Yu, Hao-Bing; Mu, Feng-Rong; Li, Jia; Li, Yu-Shan; Yang, Fan; Han, Bing-Nan; Lin, Hou-Wen","Dysidaminones A‒M, cytotoxic and NF-κB inhibitory sesquiterpene aminoquinones from the South China Sea sponge Dysidea fragilis","RSC Adv.","2014","4","18","9236","","10.1039/C3RA47265E","","","1.54178","CuKα","","0.0546","0.054","","","0.1856","0.1877","","","","","","1.095","","","","has coordinates,has disorder","244722","2020-10-21","18:00:00",""
"7239465","7.2191","0.0014","7.6075","0.0015","35.255","0.007","90","","90","","90","","1936.2","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C88 H124 N4 O8 -","4","1","","Jiao, Wei-Hua; Xu, Ting-Ting; Yu, Hao-Bing; Mu, Feng-Rong; Li, Jia; Li, Yu-Shan; Yang, Fan; Han, Bing-Nan; Lin, Hou-Wen","Dysidaminones A‒M, cytotoxic and NF-κB inhibitory sesquiterpene aminoquinones from the South China Sea sponge Dysidea fragilis","RSC Adv.","2014","4","18","9236","","10.1039/C3RA47265E","","","1.54178","CuKα","","0.064","0.05","","","0.1203","0.1299","","","","","","1.045","","","","has coordinates","244722","2020-10-21","18:00:00",""
"7239466","14.9819","0.0015","7.9992","0.0007","11.2134","0.001","90","","101.48","0.002","90","","1317","0.2","56","2","56","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H7 F5 N2 O -","- C15 H7 F5 N2 O -","- C60 H28 F20 N8 O4 -","4","1","","Hong, Tao; Song, Heli; Li, Xin; Zhang, Weibing; Xie, Yongshu","Syntheses of mono- and diacylated bipyrroles with rich substitution modes and development of a prodigiosin derivative as a fluorescent Zn(ii) probe","RSC Advances","2014","4","12","6133","","10.1039/c3ra47277a","","","0.71073","MoKα","","0.0689","0.0397","","","0.1125","0.1446","","","","","","1.072","","","","has coordinates","244723","2020-10-21","18:00:00",""
"7239467","11.9337","0.0008","9.6006","0.0006","17.6397","0.0013","90","","94.108","0.001","90","","2015.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H6 F10 N2 O2 -","- C22 H6 F10 N2 O2 -","- C88 H24 F40 N8 O8 -","4","1","","Hong, Tao; Song, Heli; Li, Xin; Zhang, Weibing; Xie, Yongshu","Syntheses of mono- and diacylated bipyrroles with rich substitution modes and development of a prodigiosin derivative as a fluorescent Zn(ii) probe","RSC Advances","2014","4","12","6133","","10.1039/c3ra47277a","","","0.71073","MoKα","","0.0969","0.047","","","0.0842","0.1087","","","","","","1.061","","","","has coordinates","244723","2020-10-21","18:00:00",""
"7239468","12.3922","0.0011","9.0079","0.001","20.4967","0.0015","90","","92.244","0.001","90","","2286.2","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H9 F10 N3 O -","- C26 H9 F10 N3 O -","- C104 H36 F40 N12 O4 -","4","1","","Hong, Tao; Song, Heli; Li, Xin; Zhang, Weibing; Xie, Yongshu","Syntheses of mono- and diacylated bipyrroles with rich substitution modes and development of a prodigiosin derivative as a fluorescent Zn(ii) probe","RSC Advances","2014","4","12","6133","","10.1039/c3ra47277a","","","0.71073","MoKα","","0.1207","0.0512","","","0.0864","0.1211","","","","","","1.032","","","","has coordinates","244723","2020-10-21","18:00:00",""
"7239469","5.275","0.0004","8.7923","0.0007","9.3895","0.0007","74.675","0.002","81.562","0.002","76.634","0.002","406.91","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H26 Ni O6 -","- C14 H26 Ni O6 -","- C14 H26 Ni O6 -","1","0.5","","Zhang, Qi-Long; Feng, Guang-Wei; Zhang, Yun-Qian; Zhu, Bi-Xue","Syntheses, structures, and luminescence properties of anion-controlled heterometal modular coordination polymers based on a metalloligand","RSC Advances","2014","4","22","11384","","10.1039/c3ra47303a","","","0.71073","MoKα","","0.0233","0.0233","","","0.09","0.0901","","","","","","0.888","","","","has coordinates","244724","2020-10-21","18:00:00",""
"7239470","15.0637","0.0012","15.0637","0.0012","10.8379","0.0012","90","","90","","90","","2459.3","0.4","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C15 H21 Ag3 N2 Ni O13 -","- C15 H21 Ag3 N2 Ni O13 -","- C60 H84 Ag12 N8 Ni4 O52 -","4","1","","Zhang, Qi-Long; Feng, Guang-Wei; Zhang, Yun-Qian; Zhu, Bi-Xue","Syntheses, structures, and luminescence properties of anion-controlled heterometal modular coordination polymers based on a metalloligand","RSC Advances","2014","4","22","11384","","10.1039/c3ra47303a","","","0.71073","MoKα","","0.058","0.0385","","","0.0768","0.0841","","","","","","0.988","","","","has coordinates","244724","2020-10-21","18:00:00",""
"7239471","10.255","0.0017","12.84","0.002","12.682","0.002","90","","107.119","0.005","90","","1595.9","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H33 Ag3 Cl2 Ni O16 -","- C19 H33 Ag3 Cl2 Ni O16 -","- C38 H66 Ag6 Cl4 Ni2 O32 -","2","1","","Zhang, Qi-Long; Feng, Guang-Wei; Zhang, Yun-Qian; Zhu, Bi-Xue","Syntheses, structures, and luminescence properties of anion-controlled heterometal modular coordination polymers based on a metalloligand","RSC Advances","2014","4","22","11384","","10.1039/c3ra47303a","","","0.71073","MoKα","","0.0645","0.0404","","","0.0875","0.0968","","","","","","0.961","","","","has coordinates,has disorder","244724","2020-10-21","18:00:00",""
"7239472","10.5956","0.0008","9.9517","0.0007","11.3334","0.0008","90","","93.328","0.002","90","","1193.03","0.15","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Ag2 F6 Ni O12 S2 -","- C12 H14 Ag2 F6 Ni O12 S2 -","- C24 H28 Ag4 F12 Ni2 O24 S4 -","2","0.5","","Zhang, Qi-Long; Feng, Guang-Wei; Zhang, Yun-Qian; Zhu, Bi-Xue","Syntheses, structures, and luminescence properties of anion-controlled heterometal modular coordination polymers based on a metalloligand","RSC Advances","2014","4","22","11384","","10.1039/c3ra47303a","","","0.71073","MoKα","","0.03","0.0295","","","0.0751","0.0754","","","","","","1.151","","","","has coordinates","244724","2020-10-21","18:00:00",""
"7239473","11.9964","0.0008","15.825","0.0011","21.4986","0.0015","90","","91.78","0.001","90","","4079.4","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H29 Cl2 Cu N5 O4 -","- C15 H29 Cl2 Cu N5 O4 -","- C120 H232 Cl16 Cu8 N40 O32 -","8","2","","Betts, Helen M.; Pascu, Sofia I.; Buchard, Antoine; Bonnitcha, Paul D.; Dilworth, Jonathan R.","One-pot synthesis, characterisation and kinetic stability of novel side-bridged pentaazamacrocyclic copper(ii) complexes","RSC Advances","2014","4","25","12964","","10.1039/c3ra47450j","","","0.6709","synchrotron","","0.0902","0.0437","","0.0762","0.0497","0.0497","","","","","","1.1331","","","","has coordinates","244725","2020-10-21","18:00:00",""
"7239474","7.3468","0.0013","19.924","0.004","13.152","0.002","90","","100.454","0.002","90","","1893.2","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","8,20-Dithia-10,18-diamina-16,96,196-trimethyl-12,14-dioxo-1(1,3),9(2,4),19(4,2)-tripyrimidinacyclohexacosaphane","8,20-Dithia-10,18-diamina-16,96,196-trimethyl-12,14-dioxo-1(1,3),9(2,4),19(4,2)-tripyrimidinacyclohexacosaphane","","- C34 H52 N8 O2 S2 -","- C34 H52 N8 O2 S2 -","- C68 H104 N16 O4 S4 -","2","1","","Podyachev, Sergey N.; Semenov, Vyacheslav E.; Syakaev, Victor V.; Kashapova, Nadezda E.; Sudakova, Svetlana N.; Voronina, Julia K.; Mikhailov, Anatoly S.; Voloshina, Alexandra D.; Reznik, Vladimir S.; Konovalov, Alexander I.","Metal binding properties of pyrimidinophanes and their acyclic counterparts","RSC Advances","2014","4","20","10228","","10.1039/c3ra47571a","","","0.71073","MoKα","","0.1772","0.0705","","","0.1831","0.2279","","","","","","0.812","","","","has coordinates,has disorder","244726","2020-10-21","18:00:00",""
"7239475","10.1191","0.0006","9.9999","0.0007","30.776","0.0014","90","","96.077","0.005","90","","3096.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 N2 O2 S -","- C35 H32 N2 O2 S -","- C140 H128 N8 O8 S4 -","4","1","","Zhong, Mei-Jin; Zhu, Hai-Tao; Gao, Pin; Qiu, Yi-Feng; Liang, Yong-Min","Synthesis of (E)-3-styryl-2,5-dihydro-1H-pyrrole derivatives via Pd-catalyzed addition of indoles to hydroxy 1,6-enynes","RSC Advances","2014","4","17","8914","","10.1039/c3ra47647b","","","0.71073","MoKα","","0.1936","0.1021","","","0.2845","0.3641","","","","","","0.984","","","","has coordinates","244727","2020-10-21","18:00:00",""
"7239476","10.1191","0.0006","9.9999","0.0007","30.776","0.0014","90","","96.077","0.005","90","","3096.7","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 N2 O2 S -","- C35 H32 N2 O2 S -","- C140 H128 N8 O8 S4 -","4","1","","Zhong, Mei-Jin; Zhu, Hai-Tao; Gao, Pin; Qiu, Yi-Feng; Liang, Yong-Min","Synthesis of (E)-3-styryl-2,5-dihydro-1H-pyrrole derivatives via Pd-catalyzed addition of indoles to hydroxy 1,6-enynes","RSC Advances","2014","4","17","8914","","10.1039/c3ra47647b","","","0.7107","MoKα","","0.1936","0.1021","","","0.2845","0.3641","","","","","","0.984","","","","has coordinates","244727","2020-10-21","18:00:00",""
"7239477","16.8594","0.0013","16.8594","0.0012","16.8594","0.0013","90","","90","","90","","4792.1","0.6","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 Cd3 La N6 O13 -","- C15 H4.98 Cd3 La N6 O13 -","- C120 H39.84 Cd24 La8 N48 O104 -","8","0.333333","","Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian","Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate","RSC Advances","2014","4","15","7818","","10.1039/c3ra47686c","","","0.71073","MoKα","","0.07","0.0402","","","0.086","0.1031","","","","","","1.001","","","","has coordinates","244728","2020-10-21","18:00:00",""
"7239478","16.8075","0.0004","16.8075","0.0004","16.8075","0.0004","90","","90","","90","","4748","0.2","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 Cd3 N6 O13 Pr -","- C15 H4.98 Cd3 N6 O13 Pr -","- C120 H39.84 Cd24 N48 O104 Pr8 -","8","0.333333","","Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian","Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate","RSC Advances","2014","4","15","7818","","10.1039/c3ra47686c","","","0.71073","MoKα","","0.0623","0.0359","","","0.059","0.0648","","","","","","1","","","","has coordinates","244728","2020-10-21","18:00:00",""
"7239479","16.7718","0.0001","16.7718","0.0001","16.7718","0.0001","90","","90","","90","","4717.79","0.05","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 Cd3 N6 Nd O13 -","- C15 H4.98 Cd3 N6 Nd O13 -","- C120 H39.84 Cd24 N48 Nd8 O104 -","8","0.333333","","Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian","Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate","RSC Advances","2014","4","15","7818","","10.1039/c3ra47686c","","","0.71073","MoKα","","0.0553","0.0391","","","0.0765","0.0815","","","","","","1.004","","","","has coordinates","244728","2020-10-21","18:00:00",""
"7239480","16.7466","0.0002","16.7466","0.0002","16.7466","0.0002","90","","90","","90","","4696.56","0.1","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 Cd3 N6 O13 Sm -","- C15 H4.98 Cd3 N6 O13 Sm -","- C120 H39.84 Cd24 N48 O104 Sm8 -","8","0.333333","","Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian","Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate","RSC Advances","2014","4","15","7818","","10.1039/c3ra47686c","","","0.71073","MoKα","","0.057","0.0392","","","0.0534","0.056","","","","","","0.991","","","","has coordinates","244728","2020-10-21","18:00:00",""
"7239481","16.736","0.0002","16.736","0.0002","16.736","0.0002","90","","90","","90","","4687.65","0.1","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C15 H5 Cd3 Eu N6 O13 -","- C15 H4.98 Cd3 Eu N6 O13 -","- C120 H39.84 Cd24 Eu8 N48 O104 -","8","0.333333","","Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian","Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate","RSC Advances","2014","4","15","7818","","10.1039/c3ra47686c","","","0.71073","MoKα","","0.0344","0.0243","","","0.0497","0.0518","","","","","","1.004","","","","has coordinates","244728","2020-10-21","18:00:00",""
"7239482","15.4","0.005","15.405","0.005","17.403","0.005","90","","90","","90","","4129","2","113","","113","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H53 N3 O2 S4 -","- C42 H44 N3 O2 S4 -","- C168 H176 N12 O8 S16 -","4","0.5","","Katagiri, Hiroshi; Tanaka, Shinya; Ohkubo, Kazuya; Akahira, Yuki; Morohashi, Naoya; Iki, Nobukiho; Hattori, Tetsutaro; Miyano, Sotaro","Regioselective synthesis of 1,2- and 1,3-diaminothiacalix[4]arenes via nucleophilic aromatic substitution and their X-ray structures","RSC Advances","2014","4","19","9608","","10.1039/c3ra47718e","","","0.71069","MoKα","","0.1383","0.0974","","","0.2057","0.2325","","","","","","1.066","","","","has coordinates,has disorder","244729","2020-10-21","18:00:00",""
"7239483","10.019","0.005","15.041","0.007","13.613","0.007","90","","103.487","0.013","90","","1994.8","1.7","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H50 N2 O2 S4 -","- C40 H44 N2 O2 S4 -","- C80 H88 N4 O4 S8 -","2","1","","Katagiri, Hiroshi; Tanaka, Shinya; Ohkubo, Kazuya; Akahira, Yuki; Morohashi, Naoya; Iki, Nobukiho; Hattori, Tetsutaro; Miyano, Sotaro","Regioselective synthesis of 1,2- and 1,3-diaminothiacalix[4]arenes via nucleophilic aromatic substitution and their X-ray structures","RSC Advances","2014","4","19","9608","","10.1039/c3ra47718e","","","0.71069","MoKα","","0.1132","0.0903","","","0.237","0.2547","","","","","","1.122","","","","has coordinates,has disorder","244729","2020-10-21","18:00:00",""
"7239484","15.3887","0.0016","15.3887","0.0016","17.563","0.003","90","","90","","90","","4159.1","0.9","173","2","173","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C42 H53 N3 O2 S4 -","- C42 H44 N3 O2 S4 -","- C168 H176 N12 O8 S16 -","4","0.25","","Katagiri, Hiroshi; Tanaka, Shinya; Ohkubo, Kazuya; Akahira, Yuki; Morohashi, Naoya; Iki, Nobukiho; Hattori, Tetsutaro; Miyano, Sotaro","Regioselective synthesis of 1,2- and 1,3-diaminothiacalix[4]arenes via nucleophilic aromatic substitution and their X-ray structures","RSC Advances","2014","4","19","9608","","10.1039/c3ra47718e","","","0.71073","MoKα","","0.1247","0.0769","","","0.2036","0.2528","","","","","","1.102","","","","has coordinates,has disorder","244729","2020-10-21","18:00:00",""
"7239485","13.8234","0.0009","19.7567","0.001","24.5819","0.0013","90","","123.419","0.003","90","","5603.5","0.6","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H72 N2 O8 S4 -","- C57 H72 N2 O8 S4 -","- C228 H288 N8 O32 S16 -","4","1","","Katagiri, Hiroshi; Tanaka, Shinya; Ohkubo, Kazuya; Akahira, Yuki; Morohashi, Naoya; Iki, Nobukiho; Hattori, Tetsutaro; Miyano, Sotaro","Regioselective synthesis of 1,2- and 1,3-diaminothiacalix[4]arenes via nucleophilic aromatic substitution and their X-ray structures","RSC Advances","2014","4","19","9608","","10.1039/c3ra47718e","","","0.71069","MoKα","","0.0833","0.0635","","","0.1695","0.1811","","","","","","1.324","","","","has coordinates,has disorder","244729","2020-10-21","18:00:00",""
"7239486","17.004","0.003","18.042","0.004","19.082","0.004","90","","90","","90","","5854","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Cl3 N7 O6 -","- C26 H28 Cl3 N7 O6 -","- C208 H224 Cl24 N56 O48 -","8","1","","Liu, Wei; Wang, Qi-Qiang; Wang, Yuanyuan; Huang, Zhi-Tang; Wang, De-Xian","Designed self-assemblies based on cooperative noncovalent interactions including anion‒π, lone-pair electron‒π and hydrogen bonding","RSC Advances","2014","4","18","9339","","10.1039/c3ra47748g","","","0.71073","MoKα","","0.1244","0.1154","","","0.2773","0.2836","","","","","","1.262","","","","has coordinates","244730","2020-10-21","18:00:00",""
"7239487","17.077","0.003","17.927","0.004","19.393","0.004","90","","90","","90","","5937","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Br Cl2 N7 O6 -","- C26 H28 Br Cl2 N7 O6 -","- C208 H224 Br8 Cl16 N56 O48 -","8","1","","Liu, Wei; Wang, Qi-Qiang; Wang, Yuanyuan; Huang, Zhi-Tang; Wang, De-Xian","Designed self-assemblies based on cooperative noncovalent interactions including anion‒π, lone-pair electron‒π and hydrogen bonding","RSC Advances","2014","4","18","9339","","10.1039/c3ra47748g","","","0.71073","MoKα","","0.1808","0.1483","","","0.2404","0.257","","","","","","1.3","","","","has coordinates","244730","2020-10-21","18:00:00",""
"7239488","17.539","0.004","17.744","0.004","19.73","0.004","90","","90","","90","","6140","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Cl2 N8 O9 -","- C26 H28 Cl2 N8 O9 -","- C208 H224 Cl16 N64 O72 -","8","1","","Liu, Wei; Wang, Qi-Qiang; Wang, Yuanyuan; Huang, Zhi-Tang; Wang, De-Xian","Designed self-assemblies based on cooperative noncovalent interactions including anion‒π, lone-pair electron‒π and hydrogen bonding","RSC Advances","2014","4","18","9339","","10.1039/c3ra47748g","","","0.71073","MoKα","","0.2533","0.2288","","","0.4569","0.4713","","","","","","1.325","","","","has coordinates,has disorder","244730","2020-10-21","18:00:00",""
"7239489","13.47","0.003","12.046","0.002","30.738","0.006","90","","92.59","0.03","90","","4982.4","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 Cl4 N12 O17 -","- C44 H34 Cl4 N12 O17 -","- C176 H136 Cl16 N48 O68 -","4","1","","Liu, Wei; Wang, Qi-Qiang; Wang, Yuanyuan; Huang, Zhi-Tang; Wang, De-Xian","Designed self-assemblies based on cooperative noncovalent interactions including anion‒π, lone-pair electron‒π and hydrogen bonding","RSC Advances","2014","4","18","9339","","10.1039/c3ra47748g","","","0.71073","MoKα","","0.1316","0.118","","","0.2428","0.2509","","","","","","1.279","","","","has coordinates,has disorder","244730","2020-10-21","18:00:00",""
"7239490","5.0171","0.0002","16.1781","0.0006","10.3154","0.0004","90","","102.463","0.002","90","","817.54","0.06","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N4 O6 -","- C16 H16 N4 O6 -","- C32 H32 N8 O12 -","2","1","","Alcaine, Ana; Marqués-López, Eugenia; Herrera, Raquel P.","Synthesis of interesting β-nitrohydrazides through a thiourea organocatalysed aza-Michael addition","RSC Adv.","2014","4","19","9856","","10.1039/C3RA47925K","","","1.54178","CuKα","","0.0617","0.0598","","","0.148","0.1503","","","","","","1.038","","","","has coordinates","244731","2020-10-21","18:00:00",""
"7239549","15.0473","0.0008","18.1959","0.001","10.7775","0.0006","90","","90","","90","","2950.9","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H44 N2 O6 -","- C32 H44 N2 O6 -","- C128 H176 N8 O24 -","4","0.5","","Viterisi, Aurélien; Montcada, Núria F.; Kumar, Challuri Vijay; Gispert-Guirado, Francesc; Martin, Eddy; Escudero, Eduardo; Palomares, Emilio","Unambiguous determination of molecular packing in crystalline donor domains of small molecule solution processed solar cell devices using routine X-ray diffraction techniques","Journal of Materials Chemistry A","2014","2","10","3536","","10.1039/c3ta13116e","","","0.71073","MoKα","","0.0569","0.0417","","","0.1125","0.1228","","","","","","1.066","","","","has coordinates,has disorder","244764","2020-10-21","18:00:00",""
"7239550","12.949","0.005","13.869","0.005","27.972","0.005","104.315","0.005","98.301","0.005","94.349","0.005","4784","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H34 Eu4 N2 O34 -","- C66 H34 Eu4 N2 O34 -","- C132 H68 Eu8 N4 O68 -","2","1","","Hao, Zhaomin; Yang, Guocheng; Song, Xuezhi; Zhu, Min; Meng, Xing; Zhao, Shuna; Song, Shuyan; Zhang, Hongjie","A europium(iii) based metal‒organic framework: bifunctional properties related to sensing and electronic conductivity","J. Mater. Chem. A","2014","2","1","237","","10.1039/C3TA13179C","","","0.71069","MoKα","","0.0323","0.0275","","","0.0723","0.0744","","","","","","1.055","","","","has coordinates","244765","2020-10-21","18:00:00",""
"7239556","25.7369","0.0005","25.7369","0.0005","61.601","0.002","90","","90","","120","","35337.1","1.5","113","2","113","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C402 H338 Cd17 N2 O116 -","- C401.94 H337.86 Cd17 N1.98 O115.98 -","- C1205.82 H1013.58 Cd51 N5.94 O347.94 -","3","0.166667","","Tian, Dan; Li, Yue; Chen, Rong-Ying; Chang, Ze; Wang, Guan-Yao; Bu, Xian-He","A luminescent metal‒organic framework demonstrating ideal detection ability for nitroaromatic explosives","J. Mater. Chem. A","2014","2","5","1465","","10.1039/C3TA13983B","","","0.71073","MoKα","","0.0539","0.0492","","","0.1254","0.1278","","","","","","1.026","","","","has coordinates,has disorder","244768","2020-10-21","18:00:00",""
"7239558","10.217","0.002","10.362","0.002","18.118","0.004","102.53","0.03","99.35","0.03","93.79","0.03","1837.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H41 Cd N5 O14 -","- C31 H41 Cd N5 O14 -","- C62 H82 Cd2 N10 O28 -","2","1","","Wang, Guan-Yao; Song, Chan; Kong, De-Ming; Ruan, Wen-Juan; Chang, Ze; Li, Yue","Two luminescent metal‒organic frameworks for the sensing of nitroaromatic explosives and DNA strands","J. Mater. Chem. A","2014","2","7","2213","","10.1039/C3TA14199C","","","0.71073","MoKα","","0.0963","0.0706","","","0.1494","0.1599","","","","","","1.098","","","","has coordinates","244770","2020-10-21","18:00:00",""
"7239559","10.004","0.002","10.293","0.002","17.914","0.004","103.66","0.03","99.58","0.03","93.45","0.03","1757.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H41 N5 O14 Zn -","- C31 H41 N5 O14 Zn -","- C62 H82 N10 O28 Zn2 -","2","1","","Wang, Guan-Yao; Song, Chan; Kong, De-Ming; Ruan, Wen-Juan; Chang, Ze; Li, Yue","Two luminescent metal‒organic frameworks for the sensing of nitroaromatic explosives and DNA strands","J. Mater. Chem. A","2014","2","7","2213","","10.1039/C3TA14199C","","","0.71073","MoKα","","0.109","0.0678","","","0.1302","0.1461","","","","","","1.069","","","","has coordinates","244770","2020-10-21","18:00:00",""
"7239560","18.4819","0.0003","18.4819","0.0003","34.4495","0.0005","90","","90","","120","","10190.8","0.3","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C31 H22 Cu2 O10 -","- C31 H10 Cu2 O10 -","- C186 H60 Cu12 O60 -","6","0.25","","Duan, Xing; Zhang, Qi; Cai, Jianfeng; Yang, Yu; Cui, Yuanjin; He, Yabing; Wu, Chuande; Krishna, Rajamani; Chen, Banglin; Qian, Guodong","A new metal‒organic framework with potential for adsorptive separation of methane from carbon dioxide, acetylene, ethylene, and ethane established by simulated breakthrough experiments","Journal of Materials Chemistry A","2014","2","8","2628","","10.1039/c3ta14454b","","","1.54178","CuKα","","0.0721","0.0599","","","0.1569","0.1636","","","","","","1.07","","","","has coordinates,has disorder","244771","2020-10-21","18:00:00",""
"7239561","12.9088","0.001","12.2522","0.001","23.79","0.002","90","","90.379","0.004","90","","3762.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 Al Cl7 Mg2 O6 -","- C24 H48 Al Cl7 Mg2 O6 -","- C96 H192 Al4 Cl28 Mg8 O24 -","4","1","","Liu, Tianbiao; Shao, Yuyan; Li, Guosheng; Gu, Meng; Hu, Jianzhi; Xu, Suochang; Nie, Zimin; Chen, Xilin; Wang, Chongmin; Liu, Jun","A facile approach using MgCl2 to formulate high performance Mg2+ electrolytes for rechargeable Mg batteries","Journal of Materials Chemistry A","2014","2","10","3430","","10.1039/c3ta14825d","","","0.71073","MoKα","","0.1559","0.1226","","","0.3168","0.3362","","","","","","1.549","","","","has coordinates,has disorder","244772","2020-10-21","18:00:00",""
"7239562","11.7192","0.0012","14.7431","0.0014","15.6936","0.0016","101.118","0.003","105.884","0.003","109.517","0.003","2334.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H63 Al Cl4 Mg2 O6 -","- C42 H63 Al Cl4 Mg2 O6 -","- C84 H126 Al2 Cl8 Mg4 O12 -","2","1","","Liu, Tianbiao; Shao, Yuyan; Li, Guosheng; Gu, Meng; Hu, Jianzhi; Xu, Suochang; Nie, Zimin; Chen, Xilin; Wang, Chongmin; Liu, Jun","A facile approach using MgCl2 to formulate high performance Mg2+ electrolytes for rechargeable Mg batteries","Journal of Materials Chemistry A","2014","2","10","3430","","10.1039/c3ta14825d","","","0.71073","MoKα","","0.0743","0.0685","","","0.1972","0.2052","","","","","","1.375","","","","has coordinates","244772","2020-10-21","18:00:00",""
"7239563","13.019","0.003","15.518","0.003","14.001","0.003","90","","110.76","0.03","90","","2645","1.1","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-methyl-N-propylpiperidinium hexafluorophosphate","1-methyl-1-propylpiperidinium hexafluorophosphate","","- C9 H20 F6 N P -","- C9 H20 F6.039 N P -","- C72 H160 F48.312 N8 P8 -","8","2","","Murugesan, Sankaran; Quintero, Oliver A.; Chou, Brendan P.; Xiao, Penghao; Park, Kyusung; Hall, Justin W.; Jones, Richard A.; Henkelman, Graeme; Goodenough, John B.; Stevenson, Keith J.","Wide electrochemical window ionic salt for use in electropositive metal electrodeposition and solid state Li-ion batteries","J. Mater. Chem. A","2014","2","7","2194","","10.1039/C3TA15010K","","x-ray","0.710747","MoKα","","0.0642","0.0482","","","0.1128","0.1218","","","","","","1.099","","","","has coordinates,has disorder","244773","2020-10-21","18:00:00",""
"7239564","11.0318","0.0017","10.0035","0.0015","22.999","0.003","90","","90","","90","","2538.1","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-dinitro-N1-(2,2,2-trinitroethyl)-1H-pyrazole-1,4-diamine","","- C5 H5 N9 O10 -","- C5 H5 N9 O10 -","- C40 H40 N72 O80 -","8","1","","Yin, Ping; Zhang, Jiaheng; He, Chunlin; Parrish, Damon A.; Shreeve, Jean'ne M.","Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers","Journal of Materials Chemistry A","2014","2","9","3200","","10.1039/c3ta15057g","","","0.71073","MoKα","","0.0441","0.0351","","","0.084","0.0882","","","","","","1.045","","","","has coordinates","244774","2020-10-21","18:00:00",""
"7239565","18.9685","0.0007","7.7374","0.0003","27.7321","0.001","90","","91.248","0.001","90","","4069.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-azido-3,4-dinitro-N-(2,2,2-trinitroethyl)-1H-pyrazol-1-amine","","- C5 H3 N11 O10 -","- C5 H3 N11 O10 -","- C60 H36 N132 O120 -","12","3","","Yin, Ping; Zhang, Jiaheng; He, Chunlin; Parrish, Damon A.; Shreeve, Jean'ne M.","Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers","Journal of Materials Chemistry A","2014","2","9","3200","","10.1039/c3ta15057g","","","0.71073","MoKα","","0.0599","0.0373","","","0.0822","0.0919","","","","","","1.017","","","","has coordinates","244774","2020-10-21","18:00:00",""
"7239566","12.7023","0.0012","8.0688","0.0008","13.0694","0.0012","90","","90","","90","","1339.5","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,4-dinitro-1H-pyrazole-1,5-diamine","","- C3 H4 N6 O4 -","- C3 H4 N6 O4 -","- C24 H32 N48 O32 -","8","1","","Yin, Ping; Zhang, Jiaheng; He, Chunlin; Parrish, Damon A.; Shreeve, Jean'ne M.","Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers","Journal of Materials Chemistry A","2014","2","9","3200","","10.1039/c3ta15057g","","","0.71073","MoKα","","0.028","0.0265","","","0.0689","0.0703","","","","","","1.072","","","","has coordinates","244774","2020-10-21","18:00:00",""
"7239567","6.944","0.002","11.434","0.004","15.743","0.006","90","","90","","90","","1250","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 I N -","- C12 H16 I N -","- C48 H64 I4 N4 -","4","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0164","0.0151","","","0.0378","0.0385","","","","","","0.623","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239568","7.4137","0.0005","13.643","0.0012","29.756","0.003","90","","90","","90","","3009.7","0.5","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 I N O2 -","- C14 H18 I N O2 -","- C112 H144 I8 N8 O16 -","8","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.1289","0.0486","","","0.069","0.0845","","","","","","0.858","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239569","7.2314","0.0002","9.476","0.0003","11.6165","0.0004","82.094","0.002","82.082","0.002","78.631","0.002","767.95","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71073","MoKα","","0.0673","0.0542","","","0.1154","0.1243","","","","","","1.049","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239570","8.81","0.004","12.003","0.005","17.977","0.008","82.678","0.014","86.66","0.017","74.635","0.014","1817.5","1.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N Na O4.5 -","- C17 H18 N Na O4.5 -","- C68 H72 N4 Na4 O18 -","4","2","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0986","0.0751","","","0.2271","0.2457","","","","","","1.085","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7239571","8.6755","0.0007","10.3795","0.0008","35.24","0.003","92.172","0.002","91.37","0.002","99.956","0.003","3121.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H49 N Na O4.5 -","- C32 H49 N Na O4.5 -","- C128 H196 N4 Na4 O18 -","4","2","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71073","MoKα","","0.1133","0.0958","","","0.2295","0.2473","","","","","","1.171","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7239572","15.3349","0.0003","7.5158","0.0002","13.7564","0.0002","90","","92.545","0.001","90","","1583.92","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 I N -","- C17 H20 I N -","- C68 H80 I4 N4 -","4","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71073","MoKα","","0.0243","0.0217","","","0.0507","0.0528","","","","","","1.07","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239573","19.2363","0.0014","10.283","0.0007","29.048","0.002","90","","92.704","0.002","90","","5739.5","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H43 N O3 -","- C33 H43 N O3 -","- C264 H344 N8 O24 -","8","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0505","0.0401","","","0.1025","0.1077","","","","","","1.033","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239574","9.802","0.013","9.8259","0.001","15.69","0.02","83.509","0.01","89.4","0.09","66.4","0.06","1375","3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H41 N O3 -","- C32 H41 N O3 -","- C64 H82 N2 O6 -","2","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.1169","0.0848","","","0.1943","0.2128","","","","","","1.113","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239575","11.9454","0.0011","12.4652","0.0011","24.378","0.002","90.54","0.02","101.5","0.02","118.1","0.03","3115.3","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N3 Na O3.5 -","- C34 H38 N3 Na O3.5 -","- C136 H152 N12 Na4 O14 -","4","2","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.6889","synchrotron","","0.3242","0.1277","","","0.3028","0.4276","","","","","","0.993","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7239576","7.53","0.002","13.635","0.003","34.164","0.008","90","","90","","90","","3507.7","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 I N O2 -","- C18 H20 I N O2 -","- C144 H160 I8 N8 O16 -","8","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0717","0.0595","","","0.0856","0.0896","","","","","","1.233","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239577","12.7035","0.0009","18.2291","0.0013","11.1693","0.0008","90","","111.529","0.002","90","","2406.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0593","0.0406","","","0.1051","0.1137","","","","","","0.975","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239578","10.8885","0.0008","17.307","0.0011","27.892","0.002","78.372","0.003","80.234","0.003","77.874","0.003","4988.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H130 N4 O20 -","- C104 H130 N4 O20 -","- C208 H260 N8 O40 -","2","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.1697","0.1066","","","0.2603","0.3071","","","","","","0.965","","","","has coordinates,has disorder","244775","2020-10-21","18:00:00",""
"7239582","20.9534","0.0017","15.4403","0.0012","29.153","0.002","90","","96.57","0.002","90","","9369.8","1.2","100","0.1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H50 Cl2.5 N4 O8.5 Ru2 -","- C45.5 H46 Cl2.5 N4 O9 Ru2 -","- C364 H368 Cl20 N32 O72 Ru16 -","8","2","","Rojas, S.; Quartapelle-Procopio, E.; Carmona, F. J.; Romero, M. A.; Navarro, J. A. R.; Barea, E.","Biophysical characterisation, antitumor activity and MOF encapsulation of a half-sandwich ruthenium(ii) mitoxantronato system","J. Mater. Chem. B","2014","2","17","2473","","10.1039/C3TB21455A","","","0.71073","MoKα","","0.1666","0.0908","","","0.2134","0.2766","","","","","","1.039","","","","has coordinates","244778","2020-10-21","18:00:00",""
"7239583","11.7757","0.0005","11.5358","0.0005","16.1129","0.0007","90","","94.112","0.002","90","","2183.18","0.16","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Br N3 O2 S -","- C20 H30 Br N3 O2 S -","- C80 H120 Br4 N12 O8 S4 -","4","1","","Porosa, Lukasz M.; Mistry, Kamlesh B.; Mocella, Amanda; Deng, Hellen; Hamzehi, Shayan; Caschera, Alex; Lough, Alan J.; Wolfaardt, Gideon; Foucher, Daniel A.","Synthesis, structures and properties of self-assembling quaternary ammonium dansyl fluorescent tags for porous and non-porous surfaces","J. Mater. Chem. B","2014","2","11","1509","","10.1039/C3TB21633K","","","1.54178","CuKα","","0.0282","0.0248","","","0.0632","0.0652","","","","","","1.051","","","","has coordinates","244779","2020-10-21","18:00:00",""
"7239584","10.5518","0.0003","12.7906","0.0003","13.4228","0.0004","90","","101.582","0.0013","90","","1774.71","0.08","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N3 O2 S -","- C17 H25 N3 O2 S -","- C68 H100 N12 O8 S4 -","4","1","","Porosa, Lukasz M.; Mistry, Kamlesh B.; Mocella, Amanda; Deng, Hellen; Hamzehi, Shayan; Caschera, Alex; Lough, Alan J.; Wolfaardt, Gideon; Foucher, Daniel A.","Synthesis, structures and properties of self-assembling quaternary ammonium dansyl fluorescent tags for porous and non-porous surfaces","J. Mater. Chem. B","2014","2","11","1509","","10.1039/C3TB21633K","","","0.71073","MoKα","","0.0938","0.0551","","","0.1321","0.1567","","","","","","1.056","","","","has coordinates","244779","2020-10-21","18:00:00",""
"7239585","7.9894","0.0005","10.0752","0.0006","12.0845","0.0006","98.84","0.002","100.429","0.002","94.519","0.002","939.6","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 Cl2 Cu2 N4 O14 -","- C38 H34 Cl2 Cu2 N4 O14 -","- C38 H34 Cl2 Cu2 N4 O14 -","1","0.5","","Das, Sanju; Biswas, Surajit; Mukherjee, Santanu; Bandyopadhyay, Jaya; Samanta, Subhodip; Bhowmick, Indrani; Hazra, Dipak Kumar; Ray, Ambarish; Parui, Partha Pratim","A cyanide selective off‒on fluorescent chemosensor with in vivo imaging in 100% water: solid probe preferred over in situ generation","RSC Adv.","2014","4","19","9656","","10.1039/C4RA00069B","","","0.71073","MoKα","","0.0354","0.0331","","","0.0887","0.0942","","","","","","1.099","","","","has coordinates","244782","2020-10-21","18:00:00",""
"7239586","24.516","0.004","7.3474","0.0013","23.623","0.004","90","","99.65","0.002","90","","4195","1.2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 N6 O21 Zn2 -","- C42 H36 N6 O21 Zn2 -","- C168 H144 N24 O84 Zn8 -","4","1","","Li, Fang-Fang; Zhang, Qin-Qin; Zhao, Yan-Yan; Jiang, Shu-Xin; Shi, Xue-Ying; Cui, Jian-Zhong; Gao, Hong-ling","Syntheses, structures, and properties of six new coordination polymers constructed from N-heterocyclic multicarboxylic acids","RSC Advances","2014","4","21","10424","","10.1039/c4ra00180j","","","0.71073","MoKα","","0.0718","0.0538","","","0.1134","0.1214","","","","","","1.099","","","","has coordinates","244783","2020-10-21","18:00:00",""
"7239587","8.5377","0.0017","16.953","0.003","17.256","0.004","90","","102.99","0.03","90","","2433.7","0.9","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 N4 O8 Zn2 -","- C27 H16 N4 O8 Zn2 -","- C108 H64 N16 O32 Zn8 -","4","1","","Li, Fang-Fang; Zhang, Qin-Qin; Zhao, Yan-Yan; Jiang, Shu-Xin; Shi, Xue-Ying; Cui, Jian-Zhong; Gao, Hong-ling","Syntheses, structures, and properties of six new coordination polymers constructed from N-heterocyclic multicarboxylic acids","RSC Advances","2014","4","21","10424","","10.1039/c4ra00180j","","","0.71073","MoKα","","0.064","0.045","","","0.0877","0.0949","","","","","","0.997","","","","has coordinates","244783","2020-10-21","18:00:00",""
"7239588","7.526","0.003","11.277","0.003","12.205","0.003","71.997","0.014","87.887","0.018","74.766","0.014","949.4","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N4 O9 Zn -","- C20 H14 N4 O9 Zn -","- C40 H28 N8 O18 Zn2 -","2","1","","Li, Fang-Fang; Zhang, Qin-Qin; Zhao, Yan-Yan; Jiang, Shu-Xin; Shi, Xue-Ying; Cui, Jian-Zhong; Gao, Hong-ling","Syntheses, structures, and properties of six new coordination polymers constructed from N-heterocyclic multicarboxylic acids","RSC Advances","2014","4","21","10424","","10.1039/c4ra00180j","","","0.71073","MoKα","","0.0504","0.0368","","","0.0803","0.0862","","","","","","1.001","","","","has coordinates","244783","2020-10-21","18:00:00",""
"7239589","7.4083","0.0015","10.89","0.002","13.632","0.003","66.67","0.03","78.17","0.03","71.78","0.03","955.1","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N3 O8.5 Zn -","- C16 H12 N3 O8.5 Zn -","- C32 H24 N6 O17 Zn2 -","2","1","","Li, Fang-Fang; Zhang, Qin-Qin; Zhao, Yan-Yan; Jiang, Shu-Xin; Shi, Xue-Ying; Cui, Jian-Zhong; Gao, Hong-ling","Syntheses, structures, and properties of six new coordination polymers constructed from N-heterocyclic multicarboxylic acids","RSC Advances","2014","4","21","10424","","10.1039/c4ra00180j","","","0.71073","MoKα","","0.0481","0.037","","","0.112","0.1151","","","","","","1.043","","","","has coordinates,has disorder","244783","2020-10-21","18:00:00",""
"7239590","16.349","0.003","16.979","0.003","17.583","0.004","90","","112.86","0.03","90","","4497.5","1.8","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cu2 N3 O13 -","- C19 H13 Cu2 N3 O13 -","- C152 H104 Cu16 N24 O104 -","8","1","","Li, Fang-Fang; Zhang, Qin-Qin; Zhao, Yan-Yan; Jiang, Shu-Xin; Shi, Xue-Ying; Cui, Jian-Zhong; Gao, Hong-ling","Syntheses, structures, and properties of six new coordination polymers constructed from N-heterocyclic multicarboxylic acids","RSC Advances","2014","4","21","10424","","10.1039/c4ra00180j","","","0.71073","MoKα","","0.0985","0.0757","","","0.1741","0.1893","","","","","","1.055","","","","has coordinates,has disorder","244783","2020-10-21","18:00:00",""
"7239591","7.7911","0.0016","17.63","0.004","15.874","0.003","90","","96.99","0.03","90","","2164.2","0.8","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cu2 N3 O12 -","- C19 H17 Cu2 N3 O12 -","- C76 H68 Cu8 N12 O48 -","4","1","","Li, Fang-Fang; Zhang, Qin-Qin; Zhao, Yan-Yan; Jiang, Shu-Xin; Shi, Xue-Ying; Cui, Jian-Zhong; Gao, Hong-ling","Syntheses, structures, and properties of six new coordination polymers constructed from N-heterocyclic multicarboxylic acids","RSC Advances","2014","4","21","10424","","10.1039/c4ra00180j","","","0.71073","MoKα","","0.0429","0.0341","","","0.0776","0.0817","","","","","","1.07","","","","has coordinates","244783","2020-10-21","18:00:00",""
"7239592","16.334","0.003","12.039","0.002","16.574","0.003","90","","109.258","0.003","90","","3076.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H N O S -","- C3.6 H3.5 N0.5 O0.2 S0.1 -","- C144 H140 N20 O8 S4 -","40","10","","Yang, Meipan; Xu, Chengchao; Li, Shaoni; Cheng, Zhao; Zhou, Jia; Yang, Bingqin","Three selective and sensitive “off‒on” probes based on rhodamine for Fe3+ imaging in living cells","RSC Advances","2014","4","27","14248","","10.1039/c4ra00396a","","","0.71073","MoKα","","0.0857","0.0551","","","0.1402","0.1607","","","","","","1.049","","","","has coordinates","244784","2020-10-21","18:00:00",""
"7239593","28.38","0.006","17.275","0.006","19.574","0.007","90","","129.802","0.01","90","","7373","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H37 N5 O3 S -","- C37 H37 N5 O3 S -","- C296 H296 N40 O24 S8 -","8","1","","Yang, Meipan; Xu, Chengchao; Li, Shaoni; Cheng, Zhao; Zhou, Jia; Yang, Bingqin","Three selective and sensitive “off‒on” probes based on rhodamine for Fe3+ imaging in living cells","RSC Advances","2014","4","27","14248","","10.1039/c4ra00396a","","","0.71073","MoKα","","0.2844","0.1379","","","0.3309","0.4167","","","","","","1.011","","","","has coordinates","244784","2020-10-21","18:00:00",""
"7239594","9.558","0.002","12.296","0.003","14.954","0.004","74.955","0.005","82.177","0.005","72.016","0.005","1611.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N6 O4 S -","- C36 H34 N6 O4 S -","- C72 H68 N12 O8 S2 -","2","1","","Yang, Meipan; Xu, Chengchao; Li, Shaoni; Cheng, Zhao; Zhou, Jia; Yang, Bingqin","Three selective and sensitive “off‒on” probes based on rhodamine for Fe3+ imaging in living cells","RSC Advances","2014","4","27","14248","","10.1039/c4ra00396a","","","0.71073","MoKα","","0.153","0.0741","","","0.1822","0.2351","","","","","","1.025","","","","has coordinates","244784","2020-10-21","18:00:00",""
"7239595","10.2389","0.0007","10.3829","0.0006","17.83","0.0006","90","","97.856","0.005","90","","1877.71","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 Eu N O14 -","- C12 H23 Eu N O14 -","- C48 H92 Eu4 N4 O56 -","4","1","","Wang, Hong-Ming; Liu, Hui-Ping; Chu, Tian-Shu; Yang, Yang-Yi; Hu, Yun-Song; Liu, Wen-Ting; Ng, Seik Weng","A luminescent terbium coordination polymer for sensing methanol","RSC Adv.","2014","4","27","14035","","10.1039/C4RA00745J","","","0.71073","MoKα","","0.0869","0.0596","","","0.1365","0.1613","","","","","","1.05","","","","has coordinates","244785","2020-10-21","18:00:00",""
"7702005","24.8564","0.0008","18.7724","0.0006","12.3412","0.0003","90","","90","","90","","5758.6","0.3","120.02","0.1","120.02","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H42 Cl4 N16 O16 Zn2 -","- C50 H42 Cl4 N16 O16 Zn2 -","- C200 H168 Cl16 N64 O64 Zn8 -","4","1","","Bodman, Samantha E.; Fitchett, Christopher M.","Conformational control of the self-assembly of triple helicates and [2 ×2]-grids from zinc(II) and 3,6-di(2-pyridyl)pyridazine based ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12606","12613","10.1039/c4dt01416b","","","0.71073","MoKα","","0.0912","0.0625","","","0.1264","0.1387","","","","","","1.073","","","","has coordinates,has disorder","232785","2020-10-21","18:00:00",""
"7702006","17.67812","0.00017","14.09099","0.00013","26.4871","0.0002","90","","102.406","0.0009","90","","6443.94","0.1","120.02","0.1","120.02","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H47 Cl4 N13 O8 Zn -","- C75 H47 Cl4 N13 O8 Zn -","- C300 H188 Cl16 N52 O32 Zn4 -","4","1","","Bodman, Samantha E.; Fitchett, Christopher M.","Conformational control of the self-assembly of triple helicates and [2 ×2]-grids from zinc(II) and 3,6-di(2-pyridyl)pyridazine based ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12606","12613","10.1039/c4dt01416b","","","1.54184","CuKα","","0.0699","0.0591","","","0.1591","0.1673","","","","","","1.02","","","","has coordinates,has disorder","232785","2020-10-21","18:00:00",""
"7702007","24.6982","0.0003","22.0178","0.0002","21.7705","0.0004","90","","90","","90","","11838.8","0.3","120.02","0.1","120.02","0.1","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C56 H49.5 Cl4 N14.5 O16 Zn2 -","- C56 H49.5 Cl4 N14.5 O16 Zn2 -","- C448 H396 Cl32 N116 O128 Zn16 -","8","1","","Bodman, Samantha E.; Fitchett, Christopher M.","Conformational control of the self-assembly of triple helicates and [2 ×2]-grids from zinc(II) and 3,6-di(2-pyridyl)pyridazine based ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12606","12613","10.1039/c4dt01416b","","","1.54184","CuKα","","0.0395","0.0365","","","0.0951","0.0971","","","","","","1.031","","","","has coordinates,has disorder","232785","2020-10-21","18:00:00",""
"7702008","24.2049","0.0007","24.8897","0.0008","14.9855","0.0005","90","","90","","90","","9028.1","0.5","296","2","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35.5 H42 Cl3 N8 O18.5 Zn2 -","- C35.5 H42 Cl3 N8 O18.5 Zn2 -","- C284 H336 Cl24 N64 O148 Zn16 -","8","1","","Bodman, Samantha E.; Fitchett, Christopher M.","Conformational control of the self-assembly of triple helicates and [2 ×2]-grids from zinc(II) and 3,6-di(2-pyridyl)pyridazine based ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12606","12613","10.1039/c4dt01416b","","","0.71073","MoKα","","0.0653","0.0426","","","0.1074","0.1209","","","","","","1.041","","","","has coordinates,has disorder","232785","2020-10-21","18:00:00",""
"7702009","16.7902","0.0005","22.1991","0.0004","27.0999","0.0007","90","","92.979","0.002","90","","10087.2","0.4","285.93","0.1","285.93","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H81.5 Cl6 N21 O29.25 Zn4 -","- C82 H79 Cl6 N21 O29.25 Zn4 -","- C328 H316 Cl24 N84 O117 Zn16 -","4","1","","Bodman, Samantha E.; Fitchett, Christopher M.","Conformational control of the self-assembly of triple helicates and [2 ×2]-grids from zinc(II) and 3,6-di(2-pyridyl)pyridazine based ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12606","12613","10.1039/c4dt01416b","","","1.54184","CuKα","","0.0958","0.0776","","","0.2435","0.2633","","","","","","1.079","","","","has coordinates,has disorder","232785","2020-10-21","18:00:00",""
"7702010","14.0182","0.0002","15.9372","0.0002","24.4801","0.0003","101.375","0.0011","95.3521","0.0012","96.55","0.0011","5288.93","0.12","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C88 H102 Cl6 N22 O30 Zn4 -","- C88 H96 Cl6 N22 O30 Zn4 -","- C176 H192 Cl12 N44 O60 Zn8 -","2","1","","Bodman, Samantha E.; Fitchett, Christopher M.","Conformational control of the self-assembly of triple helicates and [2 ×2]-grids from zinc(II) and 3,6-di(2-pyridyl)pyridazine based ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12606","12613","10.1039/c4dt01416b","","","1.54184","CuKα","","0.0639","0.0552","","","0.1581","0.1662","","","","","","1.027","","","","has coordinates,has disorder","232785","2020-10-21","18:00:00",""
"7702015","44.8591","0.0011","19.1273","0.0005","23.9486","0.0005","90","","91.09","0.002","90","","20545","0.9","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H80 Dy4 N10 O35 P4 -","- C43.5 H75 Dy4 N9.5 O35 P4 -","- C348 H600 Dy32 N76 O280 P32 -","8","1","","Zangana, Karzan H.; Pineda, Eufemio Moreno; Winpenny, Richard E. P.","Tetrametallic lanthanide(III) phosphonate cages: synthetic, structural and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17101","17107","10.1039/c4dt02630f","","x-ray","0.71073","MoKα","","0.0787","0.043","","","0.0841","0.0964","","","","","","0.961","","","","has coordinates","232796","2020-10-21","18:00:00",""
"7702016","44.7348","0.001","19.1138","0.0004","23.8851","0.0004","90","","91.3155","0.0018","90","","20417.6","0.7","150.03","0.18","150.03","0.18","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H80 Er4 N10 O35 P4 -","- C43.5 H75 Er4 N9.5 O35 P4 -","- C348 H600 Er32 N76 O280 P32 -","8","1","","Zangana, Karzan H.; Pineda, Eufemio Moreno; Winpenny, Richard E. P.","Tetrametallic lanthanide(III) phosphonate cages: synthetic, structural and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17101","17107","10.1039/c4dt02630f","","x-ray","0.71073","MoKα","","0.0624","0.037","","","0.0854","0.0962","","","","","","0.994","","","","has coordinates","232796","2020-10-21","18:00:00",""
"7702017","44.8769","0.0007","19.0562","0.0004","24.0257","0.0004","90","","91.0776","0.0016","90","","20542.7","0.6","150.01","0.11","150.01","0.11","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H85 Gd4 N11 O35 P4 -","- C48.5 H80 Gd4 N10.5 O35 P4 -","- C388 H640 Gd32 N84 O280 P32 -","8","1","","Zangana, Karzan H.; Pineda, Eufemio Moreno; Winpenny, Richard E. P.","Tetrametallic lanthanide(III) phosphonate cages: synthetic, structural and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17101","17107","10.1039/c4dt02630f","","x-ray","0.71073","MoKα","","0.0488","0.0319","","","0.0745","0.0814","","","","","","1.014","","","","has coordinates","232796","2020-10-21","18:00:00",""
"7702018","44.7075","0.0005","19.097","0.0002","23.9771","0.0002","90","","91.2548","0.0009","90","","20466.2","0.4","150.02","0.19","150.02","0.19","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H80 Ho4 N10 O35 P4 -","- C43.5 H75 Ho4 N9.5 O35 P4 -","- C348 H600 Ho32 N76 O280 P32 -","8","1","","Zangana, Karzan H.; Pineda, Eufemio Moreno; Winpenny, Richard E. P.","Tetrametallic lanthanide(III) phosphonate cages: synthetic, structural and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17101","17107","10.1039/c4dt02630f","","x-ray","0.71073","MoKα","","0.0579","0.0361","","","0.0816","0.0899","","","","","","1.052","","","","has coordinates","232796","2020-10-21","18:00:00",""
"7702019","44.8792","0.0006","19.1254","0.0003","24.0145","0.0003","90","","91.0749","0.0014","90","","20608.8","0.5","150.04","0.13","150.04","0.13","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H85 N11 O35 P4 Tb4 -","- C48.5 H80 N10.5 O35 P4 Tb4 -","- C388 H640 N84 O280 P32 Tb32 -","8","1","","Zangana, Karzan H.; Pineda, Eufemio Moreno; Winpenny, Richard E. P.","Tetrametallic lanthanide(III) phosphonate cages: synthetic, structural and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17101","17107","10.1039/c4dt02630f","","x-ray","0.71073","MoKα","","0.0635","0.0389","","","0.0846","0.0951","","","","","","0.99","","","","has coordinates","232796","2020-10-21","18:00:00",""
"7702279","5.52621","0.00008","22.3255","0.0003","8.0616","0.00012","90","","100.408","0.001","90","","978.24","0.02","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Yttrium borohydride dimethyl sulfide complex","","","- C2 H18 B3 S Y -","- C2 H18 B3 S Y -","- C8 H72 B12 S4 Y4 -","4","1","","Ley, Morten B.; Paskevicius, Mark; Schouwink, Pascal; Richter, Bo; Sheppard, Drew A.; Buckley, Craig E.; Jensen, Torben R.","Novel solvates M(BH₄)₃S(CH₃)₂ and properties of halide-free M(BH₄)₃ (M = Y or Gd).","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13333","13342","10.1039/c4dt01125b","powder diffraction","","","X-ray","","","","","","","","","4.2709","","","","","","","","has coordinates","243782","2020-10-21","18:00:00",""
"8000197","16.191","0.007","17.244","0.007","18.613","0.007","105.871","0.012","106.252","0.013","90.74","0.02","4776","3","100","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C144 H162 Ag6.66 Au18.34 S18 -","- C144 H162 Ag6.658 Au18.342 S18 -","- C144 H162 Ag6.658 Au18.342 S18 -","1","0.5","","Kumara, Chanaka; Aikens, Christine M.; Dass, Amala","X-ray Crystal Structure and Theoretical Analysis of Au25‒xAgx(SCH2CH2Ph)18‒Alloy","The Journal of Physical Chemistry Letters","2014","5","3","461","","10.1021/jz402441d","","x-ray","0.71073","MoKα","K-L~3~","0.072","0.0411","","","0.0934","0.1065","","","","","","0.964","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000198","8.761","0.002","16.167","0.005","9.689","0.003","90","","108.314","0.004","90","","1302.8","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12.8 N4 O1.4 -","- C14 H12.8 N4 O1.4 -","- C56 H51.2 N16 O5.6 -","4","1","","Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei","Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N‒H···N Hydrogen Bond","The Journal of Physical Chemistry Letters","2014","5","1","92","","10.1021/jz402280w","","","0.71073","MoKα","","0.0658","0.0497","","","0.1234","0.133","","","","","","1.042","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000199","7.5326","0.0011","9.6002","0.0013","10.1649","0.0014","99.619","0.002","109.189","0.002","109.599","0.002","621.42","0.15","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N4 O -","- C14 H12 N4 O -","- C28 H24 N8 O2 -","2","1","","Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei","Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N‒H···N Hydrogen Bond","The Journal of Physical Chemistry Letters","2014","5","1","92","","10.1021/jz402280w","","","0.71073","MoKα","","0.0671","0.0505","","","0.1176","0.1298","","","","","","1.047","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000200","4.4782","0.0004","11.8813","0.001","21.849","0.003","90","","90","","90","","1162.5","0.2","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H3 F7 O2 -","- C14 H3 F7 O2 -","- C56 H12 F28 O8 -","4","1","","Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.","Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes","The Journal of Physical Chemistry Letters","2014","5","9","1560","","10.1021/jz500519e","","","0.71075","MoKα","","0.1131","0.0641","","","0.1146","0.1352","","","","","","1.039","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000201","26.1476","0.0011","14.1409","0.0006","14.6773","0.0006","90","","90","","90","","5426.9","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C44 Cs Er F52 O8 -","- C44 Cs Er F52 O8 -","- C176 Cs4 Er4 F208 O32 -","4","0.5","","Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.","Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes","The Journal of Physical Chemistry Letters","2014","5","9","1560","","10.1021/jz500519e","","","0.71073","MoKα","","0.0346","0.0215","","","0.0415","0.0456","","","","","","1.019","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000202","26.905","0.0015","8.464","0.0004","24.2743","0.0013","90","","107.21","0.001","90","","5280.3","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","C52 O8 F28 Er Cs","","","- C58 H14 Cs Er F28 O8 -","- C58 H14 Cs Er F28 O8 -","- C232 H56 Cs4 Er4 F112 O32 -","4","0.5","","Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.","Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes","The Journal of Physical Chemistry Letters","2014","5","9","1560","","10.1021/jz500519e","","","0.71073","MoKα","","0.091","0.042","","","0.0714","0.0853","","","","","","0.965","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000203","13.2677","0.0013","14.96","0.0015","15.5993","0.0016","99.293","0.002","101.038","0.002","115.265","0.002","2643.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 Cs Er F28 O12 -","- C56 Cs Er F28 O12 -","- C112 Cs2 Er2 F56 O24 -","2","1","","Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.","Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes","The Journal of Physical Chemistry Letters","2014","5","9","1560","","10.1021/jz500519e","","","0.71073","MoKα","","0.1356","0.0891","","","0.2122","0.2717","","","","","","1.066","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000206","5.8691","0.0006","14.2212","0.0015","14.2606","0.0014","113.921","0.007","100.286","0.007","93.039","0.007","1060.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H54 O2 S4 -","- C46 H54 O2 S4 -","- C46 H54 O2 S4 -","1","0.5","","Nicolini, Tommaso; Famulari, Antonino; Gatti, Teresa; Martí-Rujas, Javier; Villafiorita-Monteleone, Francesca; Canesi, Eleonora V.; Meinardi, Francesco; Botta, Chiara; Parisini, Emilio; Meille, Stefano Valdo; Bertarelli, Chiara","Structure‒Photoluminescence Correlation for Two Crystalline Polymorphs of a Thiophene‒Phenylene Co-Oligomer with Bulky Terminal Substituents","The Journal of Physical Chemistry Letters","2014","5","13","2171","","10.1021/jz500925r","","","1.54178","CuKα","","0.0843","0.0435","","","0.1172","0.151","","","","","","0.991","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000207","10.0773","0.0016","12.626","0.002","17.705","0.004","82.176","0.014","77.112","0.012","76.89","0.013","2130","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 O S2 -","- C23 H27 O S2 -","- C92 H108 O4 S8 -","4","2","","Nicolini, Tommaso; Famulari, Antonino; Gatti, Teresa; Martí-Rujas, Javier; Villafiorita-Monteleone, Francesca; Canesi, Eleonora V.; Meinardi, Francesco; Botta, Chiara; Parisini, Emilio; Meille, Stefano Valdo; Bertarelli, Chiara","Structure‒Photoluminescence Correlation for Two Crystalline Polymorphs of a Thiophene‒Phenylene Co-Oligomer with Bulky Terminal Substituents","The Journal of Physical Chemistry Letters","2014","5","13","2171","","10.1021/jz500925r","","","1.54178","CuKα","","0.1575","0.089","","","0.2615","0.318","","","","","","1.07","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000208","6.202","0.005","8.602","0.008","12.334","0.012","83.36","0.04","79.79","0.03","73.78","0.03","620.3","1","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H36 N2 -","- C32 H36 N2 -","- C32 H36 N2 -","1","0.5","","Chen, Jinlong; Ma, Suqian; Zhang, Jibo; Wang, Lijuan; Ye, Ling; Li, Bao; Xu, Bin; Tian, Wenjing","Proton-Triggered Hypsochromic Luminescence in 1,1′-(2,5-Distyryl-1,4-phenylene) Dipiperidine","The Journal of Physical Chemistry Letters","2014","5","16","2781","","10.1021/jz501383d","","","0.71073","MoKα","","0.0639","0.0488","","","0.1411","0.1495","","","","","","1.113","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000258","4.8686","0.0004","15.1351","0.0013","19.0283","0.0018","94.372","0.005","93.841","0.006","93.639","0.005","1391.6","0.2","","","100","","","","","","","","","4","P -1","-P 1","2","N-Benzyl-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (1)","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","2","","Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller","Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates","Bioorganic & Medicinal Chemistry Letters","2014","24","","3493","3498","10.1016/j.bmcl.2014.05.062","","x-ray","1.54178","CuKα","","0.0731","0.0483","","","0.1414","0.1818","","","","","","1.188","","","","has coordinates","204918","2020-10-21","18:00:00",""
"8000259","9.3005","0.0008","6.6121","0.0005","11.8267","0.001","90","","106.276","0.001","90","","698.14","0.1","","","120","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","N-Benzyl-2,6-dimethylimidazo[1,2-b]pyridazine-3-carboxamide","","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C32 H32 N8 O2 -","2","0.5","","Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller","Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates","Bioorganic & Medicinal Chemistry Letters","2014","24","","3493","3498","10.1016/j.bmcl.2014.05.062","","x-ray","0.71073","MoKα","","0.0474","0.0453","","","0.1275","0.1306","","","","","","1.054","","","","has coordinates","204919","2020-10-21","18:00:00",""
"8000260","4.783","0.0003","25.5753","0.0015","11.9469","0.0007","90","","98.639","0.003","90","","1444.84","0.15","","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-Benzyl-2,6-dimethyl-1H-indole-3-carboxamide","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","","Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller","Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates","Bioorganic & Medicinal Chemistry Letters","2014","24","","3493","3498","10.1016/j.bmcl.2014.05.062","","x-ray","1.54178","CuKα","","0.0531","0.0415","","","0.1013","0.1083","","","","","","1.028","","","","has coordinates","204921","2020-10-21","18:00:00",""
"8000261","5.9164","0.0002","13.074","0.0003","18.5711","0.0005","109.499","0.001","93.229","0.002","94.402","0.002","1344.97","0.07","","","100","","","","","","","","","4","P -1","-P 1","2","N-Benzyl-6-methyl-2H-indazole-3-carboxamide","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","2","","Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller","Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates","Bioorganic & Medicinal Chemistry Letters","2014","24","","3493","3498","10.1016/j.bmcl.2014.05.062","","x-ray","1.54178","CuKα","","0.0546","0.0402","","","0.0999","0.1084","","","","","","1.042","","","","has coordinates","204922","2020-10-21","18:00:00",""
"8000262","9.772","0.003","5.8461","0.0019","22.078","0.007","90","","91.411","0.006","90","","1260.9","0.7","","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-Benzyl-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide","","","- C15 H14 N4 O -","- C15 H14 N4 O -","- C60 H56 N16 O4 -","4","1","","Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller","Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates","Bioorganic & Medicinal Chemistry Letters","2014","24","","3493","3498","10.1016/j.bmcl.2014.05.062","","x-ray","0.71073","MoKα","","0.08","0.0603","","","0.1465","0.1588","","","","","","1.057","","","","has coordinates","204924","2020-10-21","18:00:00",""
"8000263","20.3189","0.0011","10.8268","0.0005","15.6023","0.0009","90","","129.107","0.003","90","","2663.4","0.3","","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-Benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide","","","- C15 H15 N5 O -","- C15 H15 N5 O -","- C120 H120 N40 O8 -","8","1","","Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller","Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates","Bioorganic & Medicinal Chemistry Letters","2014","24","","3493","3498","10.1016/j.bmcl.2014.05.062","","x-ray","1.54178","CuKα","","0.0362","0.0356","","","0.0899","0.0904","","","","","","1.043","","","","has coordinates","204926","2020-10-21","18:00:00",""
"8000264","7.9379","0.0003","19.6844","0.0009","9.5568","0.0004","90","","100.934","0.002","90","","1466.17","0.11","","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-Benzyl-3,7-dimethylimidazo[1,2-a]pyridine-2-carboxamide","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","","Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller","Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates","Bioorganic & Medicinal Chemistry Letters","2014","24","","3493","3498","10.1016/j.bmcl.2014.05.062","","x-ray","1.54178","CuKα","","0.0461","0.0372","","","0.0922","0.0978","","","","","","1.033","","","","has coordinates","204927","2020-10-21","18:00:00",""
"9016974","12.3363","","12.3363","","7.3448","","90","","90","","90","","1117.76","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.27 Ca O6.135 -","- C2 H4.27 Ca O6.135 -","- C16 H34.16 Ca8 O49.08 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 1","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016975","12.3543","","12.3543","","7.3547","","90","","90","","90","","1122.54","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.4 Ca O6.2 -","- C2 H4.4 Ca O6.2 -","- C16 H35.2 Ca8 O49.6 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 2","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9016976","12.3462","","12.3462","","7.3535","","90","","90","","90","","1120.88","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.38 Ca O6.19 -","- C2 H4.38 Ca O6.19 -","- C16 H35.04 Ca8 O49.52 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 3","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9016977","12.353","","12.353","","7.3594","","90","","90","","90","","1123.02","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.39 Ca O6.195 -","- C2 H4.39 Ca O6.195 -","- C16 H35.12 Ca8 O49.56 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 4","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016978","12.3528","","12.3528","","7.3569","","90","","90","","90","","1122.6","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.4 Ca O6.2 -","- C2 H4.4 Ca O6.2 -","- C16 H35.2 Ca8 O49.6 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 5","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9016979","12.3542","","12.3542","","7.3604","","90","","90","","90","","1123.39","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.39 Ca O6.195 -","- C2 H4.39 Ca O6.195 -","- C16 H35.12 Ca8 O49.56 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 6","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016980","12.3565","","12.3565","","7.3592","","90","","90","","90","","1123.62","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.47 Ca O6.235 -","- C2 H4.47 Ca O6.235 -","- C16 H35.76 Ca8 O49.88 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 7","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9016981","12.3443","","12.3443","","7.3599","","90","","90","","90","","1121.51","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.43 Ca O6.215 -","- C2 H4.43 Ca O6.215 -","- C16 H35.44 Ca8 O49.72 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 8","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016982","12.3573","","12.3573","","7.3587","","90","","90","","90","","1123.69","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.46 Ca O6.23 -","- C2 H4.46 Ca O6.23 -","- C16 H35.68 Ca8 O49.84 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 9","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016983","12.3558","","12.3558","","7.3601","","90","","90","","90","","1123.64","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.39 Ca O6.195 -","- C2 H4.39 Ca O6.195 -","- C16 H35.12 Ca8 O49.56 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 10","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016984","12.3576","","12.3576","","7.3578","","90","","90","","90","","1123.61","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.52 Ca O6.26 -","- C2 H4.52 Ca O6.26 -","- C16 H36.16 Ca8 O50.08 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 11","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016985","12.3567","","12.3567","","7.3573","","90","","90","","90","","1123.37","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.51 Ca O6.255 -","- C2 H4.51 Ca O6.255 -","- C16 H36.08 Ca8 O50.04 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 12","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016986","12.3622","","12.3622","","7.3603","","90","","90","","90","","1124.83","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.52 Ca O6.26 -","- C2 H4.52 Ca O6.26 -","- C16 H36.16 Ca8 O50.08 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 13","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016987","12.363","","12.363","","7.346","","90","","90","","90","","1122.79","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.54 Ca O6.27 -","- C2 H4.54 Ca O6.27 -","- C16 H36.32 Ca8 O50.16 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 14","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9016988","12.362","","12.362","","7.3574","","90","","90","","90","","1124.35","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.55 Ca O6.275 -","- C2 H4.55 Ca O6.275 -","- C16 H36.4 Ca8 O50.2 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 15","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016989","12.3627","","12.3627","","7.3574","","90","","90","","90","","1124.48","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.58 Ca O6.29 -","- C2 H4.58 Ca O6.29 -","- C16 H36.64 Ca8 O50.32 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 16","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9016990","12.3783","","12.3783","","7.3659","","90","","90","","90","","1128.62","","","","","","","","","","","","oxalic renal stones of St. Petersburg citizens aged 24-65 years","4","I 4/m","-I 4","87","","","Weddellite","- C2 H4.69 Ca O6.345 -","- C2 H4.69 Ca O6.345 -","- C16 H37.52 Ca8 O50.76 -","8","0.5","","Izatulina, A.; Gurzhiy, V.; Frank-Kamenetskaya O","Weddellite from renal stones: Structure refinement and dependence of crystal chemical features on H2O content. Note: Sample 17","American Mineralogist","2014","99","","2","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","283962","2023-05-23","09:03:56",""
"9016991","4.5232","","9.274","","5.5467","","90","","90","","90","","232.674","","","","","","","","45300000","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Forsterite","- Mg2 O4 Si -","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","","","","Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S.","Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: P = 45.3 GPa","American Mineralogist","2014","99","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:12",""
"9016992","4.695","","9.201","","5.311","","93.1","","107.264","","98.133","","215.766","","","","","","","","52400000","","","","Synthetic","3","P 1","P 1","1","","","","- Mg2 O4 Si -","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","","","","Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S.","Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: P = 52.4 GPa","American Mineralogist","2014","99","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:12",""
"9016993","2.64","","8.596","","9.04","","90","","90","","90","","205.149","","","","","","","","58200000","","","","Synthetic","3","C m c 21","C 2c -2","36","","","","- Mg2 O4 Si -","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","","","","Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S.","Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: P = 58.2 GPa","American Mineralogist","2014","99","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:12",""
"9016994","2.591","","8.726","","8.794","","90","","90","","90","","198.824","","","","","","","","58200000","","","","Synthetic","3","C m c 21","C 2c -2","36","","","","- Mg2 O4 Si -","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","","","","Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S.","Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: DFT Optimized Note: P = 58.2 GPa","American Mineralogist","2014","99","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:12",""
"9016995","8.9277","","5.6548","","17.587","","90","","116.475","","90","","794.757","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Alnaperboeite-(Ce)","- Al3.544 Ca1.303 Ce2.697 Fe0.456 H2 O22 Si5 -","- Al3.544 Ca1.303 Ce2.697 Fe0.456 H2 O22 Si5 -","- Al7.088 Ca2.606 Ce5.394 Fe0.912 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST4_11","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016996","8.931","","5.6574","","17.6","","90","","116.517","","90","","795.713","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Alnaperboeite-(Ce)","- Al3.433 Ca1.225 Ce2.775 Fe0.567 H2 O22 Si5 -","- Al3.433 Ca1.225 Ce2.775 Fe0.567 H2 O22 Si5 -","- Al6.866 Ca2.45 Ce5.55 Fe1.134 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST4_09","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016997","8.9205","","5.6573","","17.5715","","90","","116.5","","90","","793.594","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Alnaperboeite-(Ce)","- Al3.476 Ca1.211 Ce2.789 Fe0.524 H2 O22 Si5 -","- Al3.476 Ca1.211 Ce2.789 Fe0.524 H2 O22 Si5 -","- Al6.952 Ca2.422 Ce5.578 Fe1.048 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST3_01","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016998","8.9546","","5.6675","","17.652","","90","","116.677","","90","","800.482","","","","","","","","","","","","Nedre Eivollen pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Alnaperboeite-(Ce)","- Al3.395 Ca1.21 Ce2.79 Fe0.605 H2 O22 Si5 -","- Al3.395 Ca1.21 Ce2.79 Fe0.605 H2 O22 Si5 -","- Al6.79 Ca2.42 Ce5.58 Fe1.21 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: NE_01","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016999","8.9222","","5.665","","17.569","","90","","116.47","","90","","794.92","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.418 Ca1.146 Ce2.854 Fe0.582 H2 O22 Si5 -","- Al3.418 Ca1.146 Ce2.854 Fe0.582 H2 O22 Si5 -","- Al6.836 Ca2.292 Ce5.708 Fe1.164 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST4_10","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017000","8.9165","","5.6754","","17.5253","","90","","116.321","","90","","794.916","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.374 Ca1.108 Ce2.892 Fe0.626 H2 O22 Si5 -","- Al3.374 Ca1.108 Ce2.892 Fe0.626 H2 O22 Si5 -","- Al6.748 Ca2.216 Ce5.784 Fe1.252 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST4_02","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017001","8.9327","","5.6817","","17.5807","","90","","116.465","","90","","798.768","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.283 Ca1.119 Ce2.881 Fe0.717 H2 O22 Si5 -","- Al3.283 Ca1.119 Ce2.881 Fe0.717 H2 O22 Si5 -","- Al6.566 Ca2.238 Ce5.762 Fe1.434 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_01","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017002","8.9313","","5.6608","","17.549","","90","","116.396","","90","","794.746","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.23 Ca1.11 Ce2.89 Fe0.77 H2 O22 Si5 -","- Al3.23 Ca1.11 Ce2.89 Fe0.77 H2 O22 Si5 -","- Al6.46 Ca2.22 Ce5.78 Fe1.54 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_03","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017003","8.911","","5.6866","","17.5252","","90","","116.3","","90","","796.133","","","","","","","","","","","","Hundholmen pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.221 Ca1.072 Ce2.928 Fe0.779 H2 O22 Si5 -","- Al3.221 Ca1.072 Ce2.928 Fe0.779 H2 O22 Si5 -","- Al6.442 Ca2.144 Ce5.856 Fe1.558 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: HU_02","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017004","8.8996","","5.6759","","17.5154","","90","","116.221","","90","","793.715","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.197 Ca1.079 Ce2.921 Fe0.803 H2 O22 Si5 -","- Al3.197 Ca1.079 Ce2.921 Fe0.803 H2 O22 Si5 -","- Al6.394 Ca2.158 Ce5.842 Fe1.606 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_04","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017005","8.895","","5.6827","","17.5044","","90","","116.24","","90","","793.626","","","","","","","","","","","","Hundholmen pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.15 Ca1.092 Ce2.908 Fe0.85 H2 O22 Si5 -","- Al3.15 Ca1.092 Ce2.908 Fe0.85 H2 O22 Si5 -","- Al6.3 Ca2.184 Ce5.816 Fe1.7 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: HU_01","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017006","8.9039","","5.6785","","17.5039","","90","","116.301","","90","","793.394","","","","","","","","","","","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.252 Ca1.105 Ce2.895 Fe0.748 H2 O22 Si5 -","- Al3.252 Ca1.105 Ce2.895 Fe0.748 H2 O22 Si5 -","- Al6.504 Ca2.21 Ce5.79 Fe1.496 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_02","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017007","8.9044","","5.665","","17.5261","","90","","116.399","","90","","791.885","","","","","","","","","","annealed for 48 hours at 350 C","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.273 Ca1.115 Ce2.885 Fe0.727 H2 O22 Si5 -","- Al3.273 Ca1.115 Ce2.885 Fe0.727 H2 O22 Si5 -","- Al6.546 Ca2.23 Ce5.77 Fe1.454 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_02-350, annealed for 48 hours at 350 C","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017008","8.9002","","5.6304","","17.7324","","90","","116.71","","90","","793.781","","","","","","","","","","annealed for 48 hours at 450 C","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.229 Ca1.098 Ce2.902 Fe0.771 H2 O22 Si5 -","- Al3.229 Ca1.098 Ce2.902 Fe0.771 H2 O22 Si5 -","- Al6.458 Ca2.196 Ce5.804 Fe1.542 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_02-450, annealed for 48 hours at 450 C","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017009","8.9031","","5.629","","17.7392","","90","","116.752","","90","","793.853","","","","","","","","","","annealed for 48 hours at 550 C","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.233 Ca1.11 Ce2.89 Fe0.767 H2 O22 Si5 -","- Al3.233 Ca1.11 Ce2.89 Fe0.767 H2 O22 Si5 -","- Al6.466 Ca2.22 Ce5.78 Fe1.534 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_02-550, annealed for 48 hours at 550 C","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017010","8.8979","","5.6235","","17.731","","90","","116.815","","90","","791.808","","","","","","","","","","annealed for 48 hours at 650 C","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.234 Ca1.098 Ce2.902 Fe0.766 H2 O22 Si5 -","- Al3.234 Ca1.098 Ce2.902 Fe0.766 H2 O22 Si5 -","- Al6.468 Ca2.196 Ce5.804 Fe1.532 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_02-650, annealed for 48 hours at 650 C","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017011","8.8936","","5.6189","","17.755","","90","","116.952","","90","","790.889","","","","","","","","","","annealed for 48 hours at 750 C","","Stetind pegmatite, Tysfjord granite, Norway","7","P 1 21/m 1","-P 2yb","11","","","Perboeite-(Ce)","- Al3.232 Ca1.091 Ce2.909 Fe0.768 H2 O22 Si5 -","- Al3.232 Ca1.091 Ce2.909 Fe0.768 H2 O22 Si5 -","- Al6.464 Ca2.182 Ce5.818 Fe1.536 H4 O44 Si10 -","2","0.5","","Bonazzi, P.; Lepore, G. O.; Bindi, L.; Chopin, C.; Husdal, T. A.; Medenbach, O.","Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: ST2_02-750, annealed for 48 hours at 750 C","American Mineralogist","2014","99","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017012","5.493","","6.52","","3.453","","90","","90","","90","","123.667","","","","","","","","23500000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 23.5 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:13",""
"9017013","5.464","","6.468","","3.415","","90","","90","","90","","120.69","","","","","","","","29000000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 29.0 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14",""
"9017014","5.426","","6.389","","3.362","","90","","90","","90","","116.549","","","","","","","","39000000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 39.0 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14",""
"9017015","5.343","","6.29","","3.295","","90","","90","","90","","110.737","","","","","","","","62700000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 62.7 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14",""
"9017016","5.298","","6.239","","3.269","","90","","90","","90","","108.054","","","","","","","","75100000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 75.1 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14",""
"9017017","5.246","","6.194","","3.228","","90","","90","","90","","104.89","","","","","","","","93000000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 93 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14",""
"9017018","5.215","","6.167","","3.211","","90","","90","","90","","103.269","","","","","","","","105000000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 105 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14",""
"9017019","5.128","","6.108","","3.183","","90","","90","","90","","99.697","","","","","","","","120000000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 120 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14",""
"9017020","5.083","","6.046","","3.152","","90","","90","","90","","96.867","","","","","","","","140000000","","","","Synthetic","2","P n a m","-P 2c 2n","62","","","Plattnerite","- O2 Pb -","- O8 Pb4 -","- O8 Pb4 -","","","","Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.","Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 140 GPa","American Mineralogist","2014","99","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14",""
"9017021","8.062","","4.797","","9.491","","90","","120.43","","90","","316.488","","","","","","","","10000000","","","","calculated structure","3","P 1 21/c 1","-P 2ybc","14","","","Cristobalite","- He O2 Si -","- He8 O16 Si8 -","- He8 O16 Si8 -","","","","Matsui, M.; Sato, T.; Funamori, N.","Crystal structures and stabilities of cristobalite-helium phases at high pressures Note: P = 10 GPa","American Mineralogist","2014","99","","184","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14",""
"9017022","9.08","","9.08","","9.08","","31.809","","31.809","","31.809","","184.735","","","","","","","","4000000","","","","calculated structure","3","R -3 c :R","-P 3* 2n","167","","","Cristobalite","- He O2 Si -","- He4 O8 Si4 -","- He4 O8 Si4 -","","","","Matsui, M.; Sato, T.; Funamori, N.","Crystal structures and stabilities of cristobalite-helium phases at high pressures Note: P = 4 GPa","American Mineralogist","2014","99","","184","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14",""
"9017023","16.0273","","16.0273","","7.2833","","90","","90","","120","","1620.24","","","","","","","","","","","","Sludyanka, Lake Baikal, Russia","10","R 3 m :H","R 3 -2""","160","","","Vanadio-oxy-dravite","- Al4.14 B3 Ca0.207 Cr0.18 H3 Mg2.4 Na0.793 O31 Si6 V2.253 -","- Al4.14 B3 Ca0.207 Cr0.18 H3 Mg2.4 Na0.793 O31 Si6 V2.253 -","- Al12.42 B9 Ca0.621 Cr0.54 H9 Mg7.2 Na2.379 O93 Si18 V6.759 -","3","0.166667","","Bosi, F.; Skogby, H.; Reznitskii, L.; Halenius, U.","Vanadio-oxy-dravite, NaV3(Al4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup","American Mineralogist","2014","99","","218","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017024","5.21381","","7.9143","","26.0888","","90","","90.3556","","90","","1076.5","","","","","","","","","","","","Murun complex, eastern Siberia, Russia","14","P 1 21/c 1","-P 2ybc","14","","","Vladykinite","- Al0.12 Ca0.55 Ce0.01 Fe1.41 K0.04 La0.02 Mg0.05 Mn0.26 Na2.45 O24 Si8 Sr3.84 Ti0.01 Zn0.16 -","- Al0.24 Ca1.1 Ce0.02 Fe2.82 K0.08 La0.04 Mg0.1 Mn0.52 Na4.9 O48 Si16 Sr7.68 Ti0.02 Zn0.32 -","- Al0.24 Ca1.1 Ce0.02 Fe2.82 K0.08 La0.04 Mg0.1 Mn0.52 Na4.9 O48 Si16 Sr7.68 Ti0.02 Zn0.32 -","","","","Chakhmourdian, A. R.; Cooper, M. A.; Ball, N.; Reguir, E. P.; Medici, L.; Abdu, Y. A.; Antonov, A. A.","Vladykinite, Na3Sr4(Fe2+Fe3+)Si8O24: A new complex sheet silicate from peralkaline rocks of the Murun complex, eastern Siberia, Russia","American Mineralogist","2014","99","","235","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14",""
"9017025","8.5139","","8.5139","","8.5139","","90","","90","","90","","617.143","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe2.134 O4 Ti0.866 -","- Fe17.072 O32 Ti6.928 -","- Fe17.072 O32 Ti6.928 -","","","","Gatta, G. D.; Bosi, F.; McIntyre, G. J.; Halenius, U.","Static positional disorder in ulvospinel: A single-crystal neutron diffraction study. Note:Crystal 1","American Mineralogist","2014","99","","255","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14",""
"9017026","8.5139","","8.5139","","8.5139","","90","","90","","90","","617.143","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe2.111 O4 Ti0.889 -","- Fe16.8912 O32 Ti7.1088 -","- Fe16.8912 O32 Ti7.1088 -","","","","Gatta, G. D.; Bosi, F.; McIntyre, G. J.; Halenius, U.","Static positional disorder in ulvospinel: A single-crystal neutron diffraction study. Note:Crystal 2","American Mineralogist","2014","99","","255","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14",""
"9017027","8.5139","","8.5139","","8.5139","","90","","90","","90","","617.143","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel1","- Fe2.134 O4 Ti0.864 -","- Fe17.072 O32 Ti6.912 -","- Fe17.072 O32 Ti6.912 -","","","","Gatta, G. D.; Bosi, F.; McIntyre, G. J.; Halenius, U.","Static positional disorder in ulvospinel: A single-crystal neutron diffraction study. Note:Refinement with Ti at .49, .49, .49","American Mineralogist","2014","99","","255","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14",""
"9017028","8.1123","","8.1123","","8.1123","","90","","90","","90","","533.866","","","","","","","","","","","","Kittelgruvan, Nordmark, Varmland, Sweden","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al1.94 Fe0.01 Mg0.38 Mn0.15 O4 Zn0.52 -","- Al15.52 Fe0.08 Mg3.04 Mn1.2 O32 Zn4.16 -","- Al15.52 Fe0.08 Mg3.04 Mn1.2 O32 Zn4.16 -","","","","Halenius, U.; Bosi, F.","Color of Mn-bearing gahnite: A first example of electronic transitions in heterovalent exchange coupled IVMn2±VIMn3+ pairs in minerals.","American Mineralogist","2014","99","","261","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:14",""
"9017029","8.1334","","8.1334","","8.1334","","90","","90","","90","","538.042","","","","","","","","","","","","Middle Atlas Neogene-Quaternary Volcanic Field of Morocco","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.758 Cr0.242 Fe0.242 Mg0.758 O4 -","- Al14.064 Cr1.936 Fe1.936 Mg6.064 O32 -","- Al14.064 Cr1.936 Fe1.936 Mg6.064 O32 -","","","","Lenaz, D.; Youbi, N.; Min, A. D.; Boumehdi, M. A.; Abbou, M. B.","Low intra-crystalline closure temperatures of Cr-bearing spinels from the mantle xenoliths of the Middle AtlasNeogene-Quaternary Volcanic Field (Morocco):Mineralogical evidence of a cooler mantle beneath the West African Craton. Note:Sample MAR-BI2","American Mineralogist","2014","99","","267","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:15",""
"9017030","8.1454","","8.1454","","8.1454","","90","","90","","90","","540.427","","","","","","","","","","","","Middle Atlas Neogene-Quaternary Volcanic Field of Morocco","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.6 Cr0.4 Fe0.25 Mg0.75 O4 -","- Al12.8 Cr3.2 Fe2 Mg6 O32 -","- Al12.8 Cr3.2 Fe2 Mg6 O32 -","","","","Lenaz, D.; Youbi, N.; Min, A. D.; Boumehdi, M. A.; Abbou, M. B.","Low intra-crystalline closure temperatures of Cr-bearing spinels from the mantle xenoliths of the Middle AtlasNeogene-Quaternary Volcanic Field (Morocco):Mineralogical evidence of a cooler mantle beneath the West African Craton. Note:Sample MAR-BI4","American Mineralogist","2014","99","","267","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:15",""
"9017031","8.2021","","8.2021","","8.2021","","90","","90","","90","","551.792","","","","","","","","","","","","Middle Atlas Neogene-Quaternary Volcanic Field of Morocco","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.206 Cr0.794 Fe0.287 Mg0.714 O4 -","- Al9.648 Cr6.352 Fe2.296 Mg5.712 O32 -","- Al9.648 Cr6.352 Fe2.296 Mg5.712 O32 -","","","","Lenaz, D.; Youbi, N.; Min, A. D.; Boumehdi, M. A.; Abbou, M. B.","Low intra-crystalline closure temperatures of Cr-bearing spinels from the mantle xenoliths of the Middle AtlasNeogene-Quaternary Volcanic Field (Morocco):Mineralogical evidence of a cooler mantle beneath the West African Craton. Note:Sample MAR-BI16","American Mineralogist","2014","99","","267","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:15",""
"9017032","8.1727","","8.1727","","8.1727","","90","","90","","90","","545.879","","","","","","","","","","","","Middle Atlas Neogene-Quaternary Volcanic Field of Morocco","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.38 Cr0.62 Fe0.306 Mg0.694 O4 -","- Al11.04 Cr4.96 Fe2.448 Mg5.552 O32 -","- Al11.04 Cr4.96 Fe2.448 Mg5.552 O32 -","","","","Lenaz, D.; Youbi, N.; Min, A. D.; Boumehdi, M. A.; Abbou, M. B.","Low intra-crystalline closure temperatures of Cr-bearing spinels from the mantle xenoliths of the Middle AtlasNeogene-Quaternary Volcanic Field (Morocco):Mineralogical evidence of a cooler mantle beneath the West African Craton. Note:Sample MAR-BI24","American Mineralogist","2014","99","","267","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:15",""
"9017033","8.1339","","8.1339","","8.1339","","90","","90","","90","","538.142","","","","","","","","","","","","Middle Atlas Neogene-Quaternary Volcanic Field of Morocco","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.718 Cr0.282 Fe0.24 Mg0.76 O4 -","- Al13.744 Cr2.256 Fe1.92 Mg6.08 O32 -","- Al13.744 Cr2.256 Fe1.92 Mg6.08 O32 -","","","","Lenaz, D.; Youbi, N.; Min, A. D.; Boumehdi, M. A.; Abbou, M. B.","Low intra-crystalline closure temperatures of Cr-bearing spinels from the mantle xenoliths of the Middle AtlasNeogene-Quaternary Volcanic Field (Morocco): Mineralogical evidence of a cooler mantle beneath the West African Craton. Note:Sample MAR-TF6","American Mineralogist","2014","99","","267","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:15",""
"9017034","8.1351","","8.1351","","8.1351","","90","","90","","90","","538.38","","","","","","","","","","","","Middle Atlas Neogene-Quaternary Volcanic Field of Morocco","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.76 Cr0.24 Fe0.236 Mg0.764 O4 -","- Al14.08 Cr1.92 Fe1.888 Mg6.112 O32 -","- Al14.08 Cr1.92 Fe1.888 Mg6.112 O32 -","","","","Lenaz, D.; Youbi, N.; Min, A. D.; Boumehdi, M. A.; Abbou, M. B.","Low intra-crystalline closure temperatures of Cr-bearing spinels from the mantle xenoliths of the Middle AtlasNeogene-Quaternary Volcanic Field (Morocco):Mineralogical evidence of a cooler mantle beneath the West African Craton. Note:Sample MAR-TF7","American Mineralogist","2014","99","","267","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:15",""
"9017035","8.1704","","8.1704","","8.1704","","90","","90","","90","","545.419","","","","","","","","","","","","Middle Atlas Neogene-Quaternary Volcanic Field of Morocco","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.42 Cr0.58 Fe0.3 Mg0.7 O4 -","- Al11.36 Cr4.64 Fe2.4 Mg5.6 O32 -","- Al11.36 Cr4.64 Fe2.4 Mg5.6 O32 -","","","","Lenaz, D.; Youbi, N.; Min, A. D.; Boumehdi, M. A.; Abbou, M. B.","Low intra-crystalline closure temperatures of Cr-bearing spinels from the mantle xenoliths of the Middle AtlasNeogene-Quaternary Volcanic Field (Morocco):Mineralogical evidence of a cooler mantle beneath the West African Craton. Note:Sample MAR-TF8","American Mineralogist","2014","99","","267","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:15",""
"9017036","8.1391","","8.1391","","8.1391","","90","","90","","90","","539.174","","","","","","","","","","","","Middle Atlas Neogene-Quaternary Volcanic Field of Morocco","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.6 Cr0.4 Fe0.268 Mg0.732 O4 -","- Al12.8 Cr3.2 Fe2.144 Mg5.856 O32 -","- Al12.8 Cr3.2 Fe2.144 Mg5.856 O32 -","","","","Lenaz, D.; Youbi, N.; Min, A. D.; Boumehdi, M. A.; Abbou, M. B.","Low intra-crystalline closure temperatures of Cr-bearing spinels from the mantle xenoliths of the Middle AtlasNeogene-Quaternary Volcanic Field (Morocco):Mineralogical evidence of a cooler mantle beneath the West African Craton. Note:Sample MAR-TF21","American Mineralogist","2014","99","","267","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:15",""
"9017037","8.1499","","8.1499","","8.1499","","90","","90","","90","","541.323","","","","","","","","","","","","Middle Atlas Neogene-Quaternary Volcanic Field of Morocco","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.612 Cr0.388 Fe0.234 Mg0.766 O4 -","- Al12.896 Cr3.104 Fe1.872 Mg6.128 O32 -","- Al12.896 Cr3.104 Fe1.872 Mg6.128 O32 -","","","","Lenaz, D.; Youbi, N.; Min, A. D.; Boumehdi, M. A.; Abbou, M. B.","Low intra-crystalline closure temperatures of Cr-bearing spinels from the mantle xenoliths of the Middle AtlasNeogene-Quaternary Volcanic Field (Morocco):Mineralogical evidence of a cooler mantle beneath the West African Craton. Note:Sample MAR-TF28","American Mineralogist","2014","99","","267","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:15",""
"9017038","4.977","","9.3869","","8.9597","","90","","90","","90","","418.585","","","","","","","","","","","","Brezove Hory deposit, Pribram ore district, Czech Republic","5","P m m n :1","P 2 2ab -1ab","59","","","Widenmannite","- C H O4.926 Pb0.926 U0.5 -","- C4 H4 O19.704 Pb3.704 U2 -","- C4 H4 O19.704 Pb3.704 U2 -","","","","Plasil, J.; Palatinus, L.; Rohlicek, J.; Houdkovaq, L.; Klementova, M.; Golias, V.; Skacha, P.","Crystal structure of lead uranyl carbonate mineral widenmannite: Precession electron-diffraction and synchrotron powder-diffraction study Note: data collected at synchrotron","American Mineralogist","2014","99","","276","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:15",""
"9017039","4.977","","9.3869","","8.9597","","90","","90","","90","","418.585","","","","","","","","","","","","Brezove Hory deposit, Pribram ore district, Czech Republic","5","P m m n :1","P 2 2ab -1ab","59","","","Widenmannite","- C H O4.824 Pb0.824 U0.5 -","- C4 H4 O19.296 Pb3.296 U2 -","- C4 H4 O19.296 Pb3.296 U2 -","","","","Plasil, J.; Palatinus, L.; Rohlicek, J.; Houdkovaq, L.; Klementova, M.; Golias, V.; Skacha, P.","Crystal structure of lead uranyl carbonate mineral widenmannite: Precession electron-diffraction and synchrotron powder-diffraction study Note: data collected by electron diffraction","American Mineralogist","2014","99","","276","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:15",""
"9017040","9.5104","","9.5104","","6.8311","","90","","90","","120","","535.08","","","","","","","","","","","","Synthetic","5","P 63/m","-P 6c","176","","","Fluorapatite","- Ca5 Cl0.332 F0.773 O12 P3 -","- Ca5 Cl0.332 F0.773 O12 P3 -","- Ca10 Cl0.664 F1.546 O24 P6 -","2","0.166667","","Hughes, J. M.; Nekvasil, H.; Ustunisik, G.; Lindsley, D. H.; Coraor, A. E.; Vaughn, J.; Phillips, B. L.; McCubbin, F. M.; Woerner, W. R.","Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal structure refinements of synthetic F-Cl apatite. Note: Sample HNF5CL5","American Mineralogist","2014","99","","369","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017041","9.5101","","9.5101","","6.83","","90","","90","","120","","534.96","","","","","","","","","","","","Synthetic","5","P 63/m","-P 6c","176","","","Fluorapatite","- Ca5 Cl0.343 F0.766 O12 P3 -","- Ca5 Cl0.343 F0.766 O12 P3 -","- Ca10 Cl0.686 F1.532 O24 P6 -","2","0.166667","","Hughes, J. M.; Nekvasil, H.; Ustunisik, G.; Lindsley, D. H.; Coraor, A. E.; Vaughn, J.; Phillips, B. L.; McCubbin, F. M.; Woerner, W. R.","Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal structure refinements of synthetic F-Cl apatite. Note: Sample HNF5CL5-8","American Mineralogist","2014","99","","369","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017042","9.51","","9.51","","6.8289","","90","","90","","120","","534.863","","","","","","","","","","","","Synthetic","5","P 63/m","-P 6c","176","","","Fluorapatite","- Ca5 Cl0.336 F0.764 O12 P3 -","- Ca5 Cl0.336 F0.764 O12 P3 -","- Ca10 Cl0.672 F1.528 O24 P6 -","2","0.166667","","Hughes, J. M.; Nekvasil, H.; Ustunisik, G.; Lindsley, D. H.; Coraor, A. E.; Vaughn, J.; Phillips, B. L.; McCubbin, F. M.; Woerner, W. R.","Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal structure refinements of synthetic F-Cl apatite. Note: Sample HNF5CL5-9","American Mineralogist","2014","99","","369","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017043","9.5084","","9.5084","","6.8293","","90","","90","","120","","534.714","","","","","","","","","","","","Synthetic","5","P 63/m","-P 6c","176","","","Fluorapatite","- Ca5 Cl0.332 F0.763 O12 P3 -","- Ca5 Cl0.332 F0.763 O12 P3 -","- Ca10 Cl0.664 F1.526 O24 P6 -","2","0.166667","","Hughes, J. M.; Nekvasil, H.; Ustunisik, G.; Lindsley, D. H.; Coraor, A. E.; Vaughn, J.; Phillips, B. L.; McCubbin, F. M.; Woerner, W. R.","Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal structure refinements of synthetic F-Cl apatite. Note: HNF5CL5-10","American Mineralogist","2014","99","","369","376","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017044","7.997","","8.979","","8.42","","90","","90.18","","90","","604.596","","","","","","","","","","","","Nanping No. 31 pegmatite, Fujian Province, Southeastern China","6","P 1 21/c 1","-P 2ybc","14","","","Strontiohurlbutite","- Ba0.01 Be2 Ca0.05 O8 P2 Sr0.87 -","- Ba0.04 Be8 Ca0.2 O32 P8 Sr3.48 -","- Ba0.04 Be8 Ca0.2 O32 P8 Sr3.48 -","","","","Rao, C.; Wang, R.; Hatert, F.; Gu, X.; Ottolini, L.; Hu, H.; Dong, C.; Bo, F. D.; Baijot, M.","Strontiohurlbutite, SrBe2(PO4)2, a new mineral from Nanping No. 31 pegmatite, Fujian Province, Southeastern China","American Mineralogist","2014","99","","494","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:16",""
"9017045","19.046","","20.377","","5.2497","","90","","90","","90","","2037.41","","","","","","","","","","","","Wessels mine, Kalahari Manganese Fields, South Africa","7","P c n b","-P 2b 2ac","60","","","Lavinskyite","- Cu6.55 H4 K Li Mg0.45 O26 Si8 -","- Cu6.55 H4 K Li Mg0.45 O26 Si8 -","- Cu26.2 H16 K4 Li4 Mg1.8 O104 Si32 -","4","0.5","","Yang, H.; Downs, R. T.; Evans, S. H.; Pinch, W. W.","Lavinskyite, K(LiCu)Cu6(Si4O11)2(OH)4, isotypic with plancheite, a new mineral from the Wessels mine, Kalahari Manganese Fields, South Africa","American Mineralogist","2014","99","","525","530","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017046","14.9704","","14.9704","","6.817","","90","","90","","90","","1527.78","","","","","","","","","","","","Jachymov, Czech Republic","6","P 4/n :1","P 4ab -1ab","85","","","Mathesiusite","- H8 K4.916 O33 S4.04 U4 V0.87 -","- H8 K4.916 O33 S4.04 U4 V0.87 -","- H16 K9.832 O66 S8.08 U8 V1.74 -","2","0.25","","Plasil, J.; Veselovsky, F.; Hlousek, J.; Skoda, R.; Novak, M.; Sejkora, J.; Cejka, J.; Skacha, P.; Kasatkin, A. V.","Mathesiusite, K5(UO2)4(SO4)4(VO5)(H2O)4, a new uranyl vanadate-sulfate from Jachymov, Czech Republic","American Mineralogist","2014","99","","625","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017047","3.61","","3.61","","3.61","","90","","90","","90","","47.046","","","","","","","","","","","","deposit 31, Luobusa ophiolite, Yarlung Zangbu suture, southern Tibet","2","F -4 3 m","F -4 2 3","216","","","Qingsongite","- B1.1 N0.9 -","- B4.4 N3.6 -","- B4.4 N3.6 -","","","","Dobrzhinetskaya, L. F.; Wirth, R.; Yang, J.; Green, H. W.; Hutcheon, I. D.; Weber, P. K.; Grew, E. S.","Qingsongite, natural cubic boron nitride: The first boron mineral from the Earth's mantle","American Mineralogist","2014","99","","764","772","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:16",""
"9017048","7.077","","7.077","","19.227","","90","","90","","90","","962.964","","","","","","","","","","","","Silver Coin mine, Valmy, Nevada, USA","9","P 41 21 2","P 4abw 2nw","92","","","Fluorowardite","- Al2.97 As0.03 Ca0.13 F1.68 Fe0.03 H6.32 Na0.87 O12.32 P1.97 -","- Al2.97 As0.03 Ca0.13 F1.68 Fe0.03 H6.32 Na0.87 O12.32 P1.97 -","- Al11.88 As0.12 Ca0.52 F6.72 Fe0.12 H25.28 Na3.48 O49.28 P7.88 -","4","0.5","","Kampf, A. R.; Adams, P. M.; Housley, R. M.; Rossman, G. R.","Fluorowardite, NaAl3(PO4)2(OH)2F2*2H2O, the fluorine analog of wardite from the Silver Coin mine, Valmy, Nevada","American Mineralogist","2014","99","","804","810","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017049","9.48871","","10.11494","","8.70624","","90","","90","","90","","835.605","","","","","","","","","","","","Cigana mine, Conselheiro Pena, Minas Gerais, Brazil","5","P b n a","-P 2ac 2b","60","","","Correianevesite","- Fe1.32 H6 Mn1.68 O11 P2 -","- Fe5.28 H24 Mn6.72 O44 P8 -","- Fe5.28 H24 Mn6.72 O44 P8 -","","","","Chukanov, N. V.; Scholz, R.; Zubkova, N. V.; Pekov, I. V.; Belakovskiy, D. I.; Van, K. V.; Lagoeiro, L.; Graca, L. M.; Krambrock, K.; de Oliveire, L. C. A.; Menezes, L. A. D.; Chaves, M. L. S. C.; Pushcharovsky, D. Y.","Correianevesite, Fe2+Mn2+2(PO4)2*3H2O, a new reddingite-group mineral from the Cigana mine, Conselheiro Pena, Minas Gerais, Brazil","American Mineralogist","2014","99","","811","816","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:17",""
"9017050","9.9244","","9.9244","","34.2357","","90","","90","","120","","2920.24","","","","","","","","","","","","Synthetic","3","P 63/m","-P 6c","176","","","","- O57 Pb21 Si18 -","- O114 Pb41.9999 Si36 -","- O114 Pb41.9999 Si36 -","","","","Siidra, O. I.; Zenko, D. S.; Krivovichev, S. V.","Structural complexity of lead silicates: Crystal structure of Pb21[Si7O22]2[Si4O13] and its comparison to hyttsjoite","American Mineralogist","2014","99","","817","823","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:17",""
"9017051","5.32517","","5.47795","","7.62732","","90","","90","","90","","222.497","","","","9","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Neighborite","- F3 Mg Na -","- F12 Mg4 Na4 -","- F12 Mg4 Na4 -","","","","Knight, K. S.","A high-resolution powder neutron diffraction study of the crystal structure of neighborite (NaMgF3) between 9 and 440 K Note: T = 9 K","American Mineralogist","2014","99","","824","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:17",""
"9017052","8.5271","","8.5271","","8.5271","","90","","90","","90","","620.018","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe1.929 Mg0.135 O4 Ti0.94 -","- Fe15.432 Mg1.08 O32 Ti7.52 -","- Fe15.432 Mg1.08 O32 Ti7.52 -","","","","Bosi, F.; Halenius, U.; Skogby, H.","Crystal chemistry of the ulvospinel-qandilite series. Note: sample T1","American Mineralogist","2014","99","","847","851","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:17",""
"9017053","8.5184","","8.5184","","8.5184","","90","","90","","90","","618.122","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe1.768 Mg0.29 O4 Ti0.94 -","- Fe14.144 Mg2.32 O32 Ti7.52 -","- Fe14.144 Mg2.32 O32 Ti7.52 -","","","","Bosi, F.; Halenius, U.; Skogby, H.","Crystal chemistry of the ulvospinel-qandilite series. Note: sample T2","American Mineralogist","2014","99","","847","851","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:17",""
"9017054","8.5104","","8.5104","","8.5104","","90","","90","","90","","616.382","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe1.511 Mg0.531 O4 Ti0.96 -","- Fe12.088 Mg4.248 O32 Ti7.68 -","- Fe12.088 Mg4.248 O32 Ti7.68 -","","","","Bosi, F.; Halenius, U.; Skogby, H.","Crystal chemistry of the ulvospinel-qandilite series. Note: sample T3","American Mineralogist","2014","99","","847","851","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:17",""
"9017055","8.5021","","8.5021","","8.5021","","90","","90","","90","","614.58","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe1.228 Mg0.79 O4 Ti0.98 -","- Fe9.824 Mg6.32 O32 Ti7.84 -","- Fe9.824 Mg6.32 O32 Ti7.84 -","","","","Bosi, F.; Halenius, U.; Skogby, H.","Crystal chemistry of the ulvospinel-qandilite series. Note: sample T4","American Mineralogist","2014","99","","847","851","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:17",""
"9017056","8.4946","","8.4946","","8.4946","","90","","90","","90","","612.955","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Ulvospinel","- Fe1.106 Mg0.918 O4 Ti0.98 -","- Fe8.848 Mg7.344 O32 Ti7.84 -","- Fe8.848 Mg7.344 O32 Ti7.84 -","","","","Bosi, F.; Halenius, U.; Skogby, H.","Crystal chemistry of the ulvospinel-qandilite series. Note: sample T5","American Mineralogist","2014","99","","847","851","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:17",""
"9017057","4.8213","","4.9368","","6.9132","","90","","90","","90","","164.547","","","","","","","","","","synthesized at 23 GPa and 1600 C","synthesized at 23 GPa","Synthetic","4","P b n m","-P 2c 2ab","62","","","Bridgmanite","- Cr0.138 Mg0.931 O3 Si0.931 -","- Cr0.552 Mg3.724 O12 Si3.724 -","- Cr0.552 Mg3.724 O12 Si3.724 -","","","","Bindi, L.; Sirotkina, E. A.; Bobrov, A. V.; Irifune, T.","Chromium solubility in perovskite at high pressure: The structure of (Mg1-xCrx)(Si1-xCrx)O3 (with x = 0.07) synthesized at 23 GPa and 1600 C","American Mineralogist","2014","99","","866","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:17",""
"9017058","9.2183","","3.0175","","10.6934","","90","","90","","90","","297.45","","","","","","","","","","","","Hatrurim complex, West Bank, Palestinian Autonomy, Israel","7","P n m a","-P 2ac 2n","62","","","Harmunite","- Al0.015 Ca Cr0.011 Fe1.957 Mg0.003 O4 Ti0.004 -","- Al0.06 Ca4 Cr0.044 Fe7.828 Mg0.012 O16 Ti0.016 -","- Al0.06 Ca4 Cr0.044 Fe7.828 Mg0.012 O16 Ti0.016 -","","","","Galuskina, I. O.; Vapnik, Y.; Lazic, B.; Armbruster, T.; Murashko, M.; Galuskin, E. V.","Harmunite CaFe2O4: A new mineral from the Jabel Harmun, West Bank, Palestinian Autonomy, Israel","American Mineralogist","2014","99","","965","975","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:17",""
"9017059","11.986","","13.2073","","17.6891","","69.69","","85.364","","64.875","","2370.35","","","","","","","","","","","","Ophir Hill Consolidated mine, Tooele County, Utah, USA","9","P -1","-P 1","2","","","Ophirite","- Ca0.835 Fe0.86 H48 Mg2.24 Mn1.02 O58 Sb0.225 W8.72 Zn0.6 -","- Ca1.67 Fe1.72 H96 Mg4.48 Mn2.04 O116 Sb0.45 W17.44 Zn1.2 -","- Ca1.67 Fe1.72 H96 Mg4.48 Mn2.04 O116 Sb0.45 W17.44 Zn1.2 -","","","","Kampf, A. R.; Hughes, J. M.; Nash, B. P.; Wright, S. E.; Rossman, G. R.; Marty, J.","Ophirite, Ca2Mg4[Zn2Mn3+2(H2O)2(Fe3+W9O34)2]*46H2O, a new mineral with a heteropolytungstate tri-lacunary Keggin anion","American Mineralogist","2014","99","","1045","1051","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:17",""
"9017060","12.677","","3.914","","14.758","","90","","115.31","","90","","661.968","","","","","","","","","","","","Baita Bihor skarn deposit, Bihor County, Romania","11","C 1 2/m 1","-C 2y","12","","","Gratianite","- Ag0.002 Bi3.95 Cd0.018 Cu0.085 Fe0.65 Mn1.102 Pb0.142 S8 Sb0.036 Se0.024 Te0.014 -","- Ag0.004 Bi7.9 Cd0.036 Cu0.17 Fe1.3 Mn2.204 Pb0.284 S16 Sb0.07224 Se0.04768 Te0.02784 -","- Ag0.004 Bi7.9 Cd0.036 Cu0.17 Fe1.3 Mn2.204 Pb0.284 S16 Sb0.07224 Se0.04768 Te0.02784 -","","","","Ciobanu, C. L.; Brugger, J.; Cook, N. J.; Mills, S. J.; Elliott, P.; Damian, G.; Damian, F.","Gratianite, MnBi2S4, a new mineral from the Baita Bihor skarn, Romania","American Mineralogist","2014","99","","1163","1170","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:18",""
"9017061","7.5391","","11.7475","","6.7137","","93.024","","95.147","","106.266","","566.611","","","","","","","","","","","","Fianel mine, Grisons, Switzerland","7","P -1","-P 1","2","","","Nambulite","- Ca0.1 Li0.725 Mg0.19 Mn3.71 Na0.275 O15 Si5 -","- Ca0.2 Li1.45 Mg0.38 Mn7.42 Na0.55 O30 Si10 -","- Ca0.2 Li1.45 Mg0.38 Mn7.42 Na0.55 O30 Si10 -","","","","Nagashima, M.; Armbruster, T.; Kolitsch, U.; Pettke, T.","The relation between Li <-> Na substitution and hydrogen bonding in five-periodic single-chain silicates nambulite and marsturite: A single-crystal X-ray study","American Mineralogist","2014","99","","1462","1470","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:18",""
"9017062","7.5372","","11.7267","","6.7078","","93.057","","95.147","","106.24","","565.017","","","","","","","","","","","","Gozaisho mine, Iwaki, Japan","8","P -1","-P 1","2","","","Nambulite","- Ca0.05 H Li0.821 Mg0.26 Mn3.69 Na0.179 O15 Si5 -","- Ca0.1 H2 Li1.642 Mg0.52 Mn7.38 Na0.358 O30 Si10 -","- Ca0.1 H2 Li1.642 Mg0.52 Mn7.38 Na0.358 O30 Si10 -","","","","Nagashima, M.; Armbruster, T.; Kolitsch, U.; Pettke, T.","The relation between Li <-> Na substitution and hydrogen bonding in five-periodic single-chain silicates nambulite and marsturite: A single-crystal X-ray study","American Mineralogist","2014","99","","1462","1470","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:18",""
"9017063","7.6115","","11.734","","6.7324","","92.876","","94.846","","106.65","","572.278","","","","","","","","","","","","Gozaisho mine, Iwaki, Japan","8","P -1","-P 1","2","","","Natronambulite","- Ca0.212 H Li0.276 Mg0.22 Mn3.568 Na0.724 O15 Si5 -","- Ca0.424 H2 Li0.552 Mg0.44 Mn7.136 Na1.448 O30 Si10 -","- Ca0.424 H2 Li0.552 Mg0.44 Mn7.136 Na1.448 O30 Si10 -","","","","Nagashima, M.; Armbruster, T.; Kolitsch, U.; Pettke, T.","The relation between Li <-> Na substitution and hydrogen bonding in five-periodic single-chain silicates nambulite and marsturite: A single-crystal X-ray study","American Mineralogist","2014","99","","1462","1470","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:18",""
"9017064","7.697","","11.72","","6.771","","92.4","","94.41","","106.83","","581.593","","","","","","","","","","","","Molinello mine, Liguria, Italy","9","P -1","-P 1","2","","","Marsturite","- Ca0.912 Fe0.11 H Li0.062 Mg0.07 Mn2.908 Na0.938 O15 Si5 -","- Ca1.824 Fe0.22 H2 Li0.124 Mg0.14 Mn5.816 Na1.876 O30 Si10 -","- Ca1.824 Fe0.22 H2 Li0.124 Mg0.14 Mn5.816 Na1.876 O30 Si10 -","","","","Nagashima, M.; Armbruster, T.; Kolitsch, U.; Pettke, T.","The relation between Li <-> Na substitution and hydrogen bonding in five-periodic single-chain silicates nambulite and marsturite: A single-crystal X-ray study","American Mineralogist","2014","99","","1462","1470","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:18",""
"9017065","24.764","","24.862","","8.1995","","90","","90","","90","","5048.29","","","","230","","","","","","","","Synthetic","3","F d d d :2","-F 2uv 2vw","70","","","","- Li9 Mn18 O36 -","- Li72 Mn144 O288 -","- Li72 Mn144 O288 -","","","","Ishizawa, N.; Tateishi, K.; Oishi, S.; Kishimoto, S.","Bond-length fluctuation in the orthorhombic 3x3x1 superstructure of LiMn2O4 Note: T = 230 K","American Mineralogist","2014","99","","1528","1536","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:18",""
"9017066","8.2513","","8.2513","","8.2513","","90","","90","","90","","561.781","","","","320","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Li Mn2 O4 -","- Li8 Mn16 O31.9997 -","- Li8 Mn16 O31.9997 -","","","","Ishizawa, N.; Tateishi, K.; Oishi, S.; Kishimoto, S.","Bond-length fluctuation in the orthorhombic 3x3x1 superstructure of LiMn2O4 Note: T = 320 K","American Mineralogist","2014","99","","1528","1536","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:18",""
"9017067","8.7225","","8.7225","","2.7664","","90","","90","","120","","182.275","","","","","","","","","","","","Synthetic","5","P 63/m","-P 6c","176","","","","- Al2.455 Mg0.79 Na0.33 O6 Si0.63 -","- Al4.91 Mg1.58 Na0.66 O12 Si1.26 -","- Al4.91 Mg1.58 Na0.66 O12 Si1.26 -","","","","Pamato, M. G.; Kurnosov, A.; Ballaran, T. B.; Trots, D. M.; Caracas, R.; Frost, D. J.","Hexagonal Na0.41[Na0.125Mg0.79Al0.085]2[Al0.79Si0.21]6O12 (NAL phase): Crystal structure refinement and elasticity","American Mineralogist","2014","99","","1562","1569","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:18",""
"9017068","7.6844","","6.8913","","6.73493","","90.4576","","94.0805","","102.777","","346.835","","","","4","","","","","","","","Mont St. Hilaire, Quebec, Canada","6","P -1","-P 1","2","","","Serandite","- Ca0.056 H Mn1.944 Na O9 Si3 -","- Ca0.112 H2 Mn3.888 Na2 O18 Si6 -","- Ca0.112 H2 Mn3.888 Na2 O18 Si6 -","","","","Williams, E. R.; Weller, M. T.","A variable-temperature neutron diffraction study of serandite: A Mn-silicate framework with a very strong, two-proton site, hydrogen bond Note: T = 4 K","American Mineralogist","2014","99","","1755","1760","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:18",""
"9017069","7.6888","","6.8934","","6.73781","","90.4467","","94.0672","","102.777","","347.296","","","","150","","","","","","","","Mont St. Hilaire, Quebec, Canada","6","P -1","-P 1","2","","","Serandite","- Ca0.053 H Mn1.947 Na O9 Si3 -","- Ca0.106 H2 Mn3.894 Na2 O18 Si6 -","- Ca0.106 H2 Mn3.894 Na2 O18 Si6 -","","","","Williams, E. R.; Weller, M. T.","A variable-temperature neutron diffraction study of serandite: A Mn-silicate framework with a very strong, two-proton site, hydrogen bond Note: T = 150 K","American Mineralogist","2014","99","","1755","1760","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:19",""
"9017070","7.70244","","6.9003","","6.7447","","90.4159","","94.0442","","102.801","","348.599","","","","298","","","","","","","","Mont St. Hilaire, Quebec, Canada","6","P -1","-P 1","2","","","Serandite","- Ca0.058 H Mn1.942 Na O9 Si3 -","- Ca0.116 H2 Mn3.884 Na2 O18 Si6 -","- Ca0.116 H2 Mn3.884 Na2 O18 Si6 -","","","","Williams, E. R.; Weller, M. T.","A variable-temperature neutron diffraction study of serandite: A Mn-silicate framework with a very strong, two-proton site, hydrogen bond Note: T = 298 K","American Mineralogist","2014","99","","1755","1760","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:19",""
"9017071","7.7283","","6.9174","","6.7608","","90.362","","94.016","","102.822","","351.464","","","","575","","","","","","","","Mont St. Hilaire, Quebec, Canada","6","P -1","-P 1","2","","","Serandite","- Ca0.074 H Mn1.926 Na O9 Si3 -","- Ca0.1484 H2 Mn3.8516 Na2 O18 Si6 -","- Ca0.1484 H2 Mn3.8516 Na2 O18 Si6 -","","","","Williams, E. R.; Weller, M. T.","A variable-temperature neutron diffraction study of serandite: A Mn-silicate framework with a very strong, two-proton site, hydrogen bond Note: T = 575 K","American Mineralogist","2014","99","","1755","1760","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:19",""
"9017072","7.7513","","6.9384","","6.7761","","90.307","","94.019","","102.858","","354.335","","","","800","","","","","","","","Mont St. Hilaire, Quebec, Canada","6","P -1","-P 1","2","","","Serandite","- Ca0.074 H Mn1.926 Na O9 Si3 -","- Ca0.1484 H2 Mn3.8516 Na2 O18 Si6 -","- Ca0.1484 H2 Mn3.8516 Na2 O18 Si6 -","","","","Williams, E. R.; Weller, M. T.","A variable-temperature neutron diffraction study of serandite: A Mn-silicate framework with a very strong, two-proton site, hydrogen bond Note: T = 800 K","American Mineralogist","2014","99","","1755","1760","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:19",""
"9017073","6.9661","","25.236","","11.2919","","90","","90","","90","","1985.08","","","","","","","","","","","","Synthetic","7","P m n b","-P 2bc 2a","62","","","","- H28 K0.216 Mg2 N0.784 Na O22 P2 -","- H112 K0.864 Mg8 N3.136 Na4 O88 P8 -","- H112 K0.864 Mg8 N3.136 Na4 O88 P8 -","","","","Yang, H.; Martinelli, L.; Tasso, F.; Sprocati, A. R.; Pinzari, F.; Liu, Z.; Downs, R. T.; Sun, H. J.","A new biogenic, struvite-related phosphate, the ammonium-analog of hazenite, (NH4)NaMg2(PO4)2*14H2O","American Mineralogist","2014","99","","1761","1766","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:19",""
"9017074","16.0277","","16.0277","","7.3085","","90","","90","","120","","1625.93","","","","","","","","","","","","Sludyanka, Lake Baikal, Russia","13","R 3 m :H","R 3 -2""","160","","","Chromo-alumino-povondraite","- Al3.08 B3 Ca0.07 Cr3.47 F0.25 Fe0.01 H3.02 K0.02 Mg2.25 Na0.87 O30.75 Si5.96 V0.22 -","- Al3.08004 B3 Ca0.07 Cr3.47001 F0.25 Fe0.01002 H3.02 K0.02 Mg2.25003 Na0.87 O30.75 Si5.95998 V0.22002 -","- Al9.24012 B9 Ca0.21 Cr10.41 F0.75 Fe0.03006 H9.06 K0.06 Mg6.75009 Na2.61 O92.25 Si17.8799 V0.66006 -","3","0.166667","","Reznitskii, L.; Clark, C. M.; Hawthorne, F. C.; Grice, J. D.; Skogby, H.; Halenius, U.; Bosi, F.","Chromo-alumino-povondraite, NaCr3(Al4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup","American Mineralogist","2014","99","","1767","1773","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9017075","7.736","","7.3712","","20.856","","90","","102.123","","90","","1162.76","","","","","","","","","","","","Mount Beshtau, Stavropol region, Northern Caucasus, Russia","5","P 1 21/c 1","-P 2ybc","14","","","Beshtauite","- H12 N2 O12 S2 U -","- H12 N2 O12 S2 U -","- H48 N8 O48 S8 U4 -","4","1","","Pekov, I. V.; Krivovichev, S. V.; Yapaskurt, V. O.; Chukanov, N. V.; Belakovskiy, D. I.","Beshtauite, (NH4)2(UO2)(SO4)2*2H2O, a new mineral from Mount Beshtau, Northern Caucasus, Russia","American Mineralogist","2014","99","","1783","1787","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017076","9.0633","","2.95793","","10.6391","","90","","90","","90","","285.219","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","","- Cr2 Fe O4 -","- Cr8 Fe4 O16 -","- Cr8 Fe4 O16 -","","","","Ishii, T.; Kojitani, H.; Tsukamoto, S.; Fujino, K.; Mori, D.; Inaguma, Y.; Tsujino, N.; Yoshino, T.; Yamazaki, D.; Higo, Y.; Funakoshi, K.; Akaogi, M.","High-pressure phase transitions in FeCr2O4 and structure analysis of new post- spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications","American Mineralogist","2014","99","","1788","1797","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:19",""
"9017077","2.88445","","9.5207","","9.7532","","90","","90","","90","","267.842","","","","","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Xieite","- Cr2 Fe O4 -","- Cr8 Fe4 O16 -","- Cr8 Fe4 O16 -","","","","Ishii, T.; Kojitani, H.; Tsukamoto, S.; Fujino, K.; Mori, D.; Inaguma, Y.; Tsujino, N.; Yoshino, T.; Yamazaki, D.; Higo, Y.; Funakoshi, K.; Akaogi, M.","High-pressure phase transitions in FeCr2O4 and structure analysis of new post- spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications","American Mineralogist","2014","99","","1788","1797","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:19",""
"9017078","9.6642","","12.5","","2.9023","","90","","90","","90","","350.605","","","","","","","","","","","","Synthetic","3","P b a m","-P 2 2ab","55","","","","- Cr2 Fe2 O5 -","- Cr8 Fe8 O20 -","- Cr8 Fe8 O20 -","","","","Ishii, T.; Kojitani, H.; Tsukamoto, S.; Fujino, K.; Mori, D.; Inaguma, Y.; Tsujino, N.; Yoshino, T.; Yamazaki, D.; Higo, Y.; Funakoshi, K.; Akaogi, M.","High-pressure phase transitions in FeCr2O4 and structure analysis of new post- spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications","American Mineralogist","2014","99","","1788","1797","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:19",""
"9017079","4.733","","4.325","","2.842","","90","","90","","90","","58.176","","","","","","","","","","synthesized at 45 GPa and 1000 C","synthesized at 45 GPa","Synthetic","4","P n n m","-P 2 2n","58","","","Phase H","- H Mg0.5 O2 Si0.5 -","- H2 Mg O4 Si -","- H2 Mg O4 Si -","","","","Bindi, L.; Nishi, M.; Tsuchiya, J.; Irifune, T.","Crystal chemistry of dense hydrous magnesium silicates: The structure of phase H, MgSiH2O4, synthesized at 45 GPa and 1000 C","American Mineralogist","2014","99","","1802","1805","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:19",""
"9017080","10.3476","","10.3476","","13.761","","90","","90","","120","","1276.03","","","","","","","","","","","","Heftetjern pegmatite, Tordal, Norway","10","P 6/m c c","-P 6 2c","192","","","Agakhanovite-(Y)","- Al0.07 Be2.93 Ca1.08 H1.84 K Na0.02 O30.92 Si12 Y0.91 Yb0.01 -","- Al0.0699 Be2.9301 Ca1.08 H1.84 K Na0.02 O30.92 Si12 Y0.91 Yb0.01 -","- Al0.1398 Be5.8602 Ca2.16 H3.68 K2 Na0.04 O61.84 Si24 Y1.82 Yb0.02 -","2","0.0833333","","Hawthorne, F. C.; Abdu, Y. A.; Ball, N. A.; Cerny, P.; Kristiansen, R.","Agakhanovite-(Y), ideally (YCa)2KBe3Si12O30, a new milarite-group mineral from the Heftetjern pegmatite, Tordal, Southern Norway: description and crystal structure","American Mineralogist","2014","99","","2084","2088","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9017081","9.6797","","10.3771","","9.3782","","90","","90","","90","","942.014","","","","","","","","","","","","Su Seinargiu, Sarroch, Cagliari, Sardinia, Italy","4","P 1 21/c 1","-P 2ybc","14","","","Ichnusaite","- H6 Mo2 O11 Th -","- H6 Mo2 O11 Th -","- H24 Mo8 O44 Th4 -","4","1","","Orlandi, P.; Biagioni, C.; Bindi, L.; Nestola, F.","Ichnusaite, Th(MoO4)2*3H2O, the first natural thorium molybdate: occurrence, description, and crystal structure","American Mineralogist","2014","99","","2089","2094","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017082","8.0912","","8.0912","","8.0912","","90","","90","","90","","529.711","","","","","","","","","","","","Jemaa, Kaduna, Nigeria","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al1.99 Fe0.04 O4 Zn0.97 -","- Al15.92 Fe0.32 O32 Zn7.76 -","- Al15.92 Fe0.32 O32 Zn7.76 -","","","","Fregola, R. A.; Skogby, H.; Bosi, F.; D'Ippolito V; Andreozzi, G. B.; Halenius, U.","Optical absorption spectroscopy study of the causes for color variations in natural Fe-bearing gahnite: Insights from iron valency and site distribution data Note: Sample Ni8967d","American Mineralogist","2014","99","","2187","2195","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:20",""
"9017083","8.0954","","8.0954","","8.0954","","90","","90","","90","","530.536","","","","","","","","","","","","Jemaa, Kaduna, Nigeria","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al1.98 Fe0.1 Mg0.01 O4 Zn0.91 -","- Al15.84 Fe0.8 Mg0.08 O32 Zn7.28 -","- Al15.84 Fe0.8 Mg0.08 O32 Zn7.28 -","","","","Fregola, R. A.; Skogby, H.; Bosi, F.; D'Ippolito V; Andreozzi, G. B.; Halenius, U.","Optical absorption spectroscopy study of the causes for color variations in natural Fe-bearing gahnite: Insights from iron valency and site distribution data Note: Sample Ni8967e","American Mineralogist","2014","99","","2187","2195","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:20",""
"9017084","8.0944","","8.0944","","8.0944","","90","","90","","90","","530.34","","","","","","","","","","","","Migiandone mine, Val d'Ossola, Italy","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al1.98 Fe0.1 Mg0.01 O4 Zn0.91 -","- Al15.84 Fe0.8 Mg0.08 O32 Zn7.28 -","- Al15.84 Fe0.8 Mg0.08 O32 Zn7.28 -","","","","Fregola, R. A.; Skogby, H.; Bosi, F.; D'Ippolito V; Andreozzi, G. B.; Halenius, U.","Optical absorption spectroscopy study of the causes for color variations in natural Fe-bearing gahnite: Insights from iron valency and site distribution data Note: Sample Sp2781_6a","American Mineralogist","2014","99","","2187","2195","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:20",""
"9017085","8.1103","","8.1103","","8.1103","","90","","90","","90","","533.471","","","","","","","","","","","","Migiandone mine, Val d'Ossola, Italy","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al1.92 Fe0.35 Mg0.03 O4 Zn0.7 -","- Al15.36 Fe2.8 Mg0.24 O32 Zn5.6 -","- Al15.36 Fe2.8 Mg0.24 O32 Zn5.6 -","","","","Fregola, R. A.; Skogby, H.; Bosi, F.; D'Ippolito V; Andreozzi, G. B.; Halenius, U.","Optical absorption spectroscopy study of the causes for color variations in natural Fe-bearing gahnite: Insights from iron valency and site distribution data Note: Sample Sp2781_6c","American Mineralogist","2014","99","","2187","2195","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:20",""
"9017086","9.8","","9.6","","2.87","","90","","90","","90","","270.01","","","","","","","","","","","","Synthetic","6","A m a m","-A 2 2a","63","","","h-Magnetite","- Al0.22 Cr0.3 Fe2.15 Mg0.26 O4 Si0.08 -","- Al0.88 Cr1.2 Fe8.6 Mg1.04 O16 Si0.32 -","- Al0.88 Cr1.2 Fe8.6 Mg1.04 O16 Si0.32 -","","","","Koch-Muller M; Mugnaioli, E.; Rhede, D.; Speziale, S.; Kolb, U.; Wirth, R.","Synthesis of a quenchable high-pressure form of magnetite (h-Fe3O4) with composition Fe1(Fe2+0.75Mg0.26)Fe2(Fe3+0.70Cr0.15Al0.11Si0.04)2O4 Note: Sample Crystal 1","American Mineralogist","2014","99","","2405","2415","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:20",""
"9017087","9.8","","9.6","","2.87","","90","","90","","90","","270.01","","","","","","","","","","","","Synthetic","6","A m a m","-A 2 2a","63","","","h-Magnetite","- Al0.22 Cr0.3 Fe2.15 Mg0.26 O4 Si0.08 -","- Al0.88 Cr1.2 Fe8.6 Mg1.04 O16 Si0.32 -","- Al0.88 Cr1.2 Fe8.6 Mg1.04 O16 Si0.32 -","","","","Koch-Muller M; Mugnaioli, E.; Rhede, D.; Speziale, S.; Kolb, U.; Wirth, R.","Synthesis of a quenchable high-pressure form of magnetite (h-Fe3O4) with composition Fe1(Fe2+0.75Mg0.26)Fe2(Fe3+0.70Cr0.15Al0.11Si0.04)2O4 Note: Sample Crystal 2","American Mineralogist","2014","99","","2405","2415","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:20",""
"9017088","14.0178","","14.1289","","7.8366","","90","","109.436","","90","","1463.64","","","","","","","","","","","","Khan Bogdo deposit, southern Gobi Desert, Gobi, Mongolia","7","C 1 2/m 1","-C 2y","12","","","Armstrongite","- Ca0.96 Ce0.01 H4 O17 Si6 Yb0.01 Zr0.99 -","- Ca3.84 Ce0.04 H16 O68 Si24 Yb0.04 Zr3.96 -","- Ca3.84 Ce0.04 H16 O68 Si24 Yb0.04 Zr3.96 -","","","","Mesto, E.; Kaneva, E.; Schingaro, E.; Vladykin, N.; Lacalamita, M.; Scordari, F.","Armstrongite from Khan Bogdo (Mongolia): Crystal structure determination and implications for zeolite-like cation exchange properties","American Mineralogist","2014","99","","2424","2432","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:20",""
"9017089","3.0214","","3.0214","","3.0214","","90","","90","","90","","27.582","","","","","","","","","","","","Khatyrka CV3 carbonaceous chondrite, Koryak Mountains, Russia","3","I m -3 m","-I 4 2 3","229","","","Steinhardtite","- Al0.38 Fe0.3 Ni0.32 -","- Al0.76 Fe0.6 Ni0.64 -","- Al0.76 Fe0.6 Ni0.64 -","","","","Bindi, L.; Yao, N.; Lin, C.; Hollister, L. S.; MacPherson, G. J.; Poirier, G. R.; Andronicos, C. L.; Distler, V. V.; Eddy, M. P.; Kostin, A.; Kryachko, V.; Steinhardt, W. M.; Yudovskaya, M.","Steinhardtite, a new body-centered-cubic allotropic form of aluminum from the Khatyrka CV3 carbonaceous chondrite","American Mineralogist","2014","99","","2433","2436","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:20",""
"9017189","10.022","","10.406","","8.643","","106.41","","95.992","","124.38","","672.788","","","","","","","","","","","","Portage-du-Fort area, Pontiac Regional County Municipality, Quebec, Canada","7","P -1","-P 1","2","","","Serendibite","- Al4.842 B1.598 Ca1.898 Mg2.733 Na0.102 O20 Si2.827 -","- Al9.684 B3.196 Ca3.7966 Mg5.466 Na0.2032 O40 Si5.654 -","- Al9.684 B3.196 Ca3.7966 Mg5.466 Na0.2032 O40 Si5.654 -","","","","Grice, J. D.; Belley, P. M.; Fayek, M.","Serendibite, a complex chemical borosilicate mineral from Pontiac, Quebec: Description, chemical composition, and crystallographic data","The Canadian Mineralogist","2014","52","","1","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:30",""
"9017190","6.837","","7.575","","8.841","","99.91","","102.19","","102.78","","424.812","","","","","","","","","","","","Poudrette quarry, Monteregie, Quebec, Canada","7","P -1","-P 1","2","","","Steedeite","- B Fe0.1 H2 Mn1.9 Na O11 Si3 -","- B Fe0.1 H2 Mn1.9 Na O11 Si3 -","- B2 Fe0.2 H4 Mn3.8 Na2 O22 Si6 -","2","1","","Haring, M. M. M.; McDonald, A. M.","Steedeite, NaMn2[Si3BO9](OH)2: characterization, crystal-structure determination, and origin","The Canadian Mineralogist","2014","52","","47","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017191","12.109","","6.5162","","10.117","","90","","106.16","","90","","766.737","","","","","","","","","","","","Codera Valley, Sondrio, Central Alps, Italy","5","I 1 2/a 1","-I 2ya","15","","","Triplite","- F Fe0.036 Mn1.964 O4 P -","- F8 Fe0.288 Mn15.712 O32 P8 -","- F8 Fe0.288 Mn15.712 O32 P8 -","","","","Vignola, P.; Gatta, G. D.; Hatert, F.; Guastoni, A.; Bersani, D.","On the crystal-chemistry of a near-endmember triplite, Mn2+2(PO4)F, from the Codera Valley (Sondrio Province, Central Alps, Italy)","The Canadian Mineralogist","2014","52","","235","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:32",""
"9017192","16.0047","","16.0047","","7.212","","90","","90","","120","","1599.86","","","","","","","","","","","","Mirosov, Moldanubian zone, Czech Republic","9","R 3 m :H","R 3 -2""","160","","","Feruvite","- Al5.688 B3 Ca0.424 Fe2.517 H7 Mg0.795 Na0.576 O31 Si6 -","- Al17.064 B9 Ca1.272 Fe7.551 H12 Mg2.385 Na1.728 O93 Si18 -","- Al17.064 B9 Ca1.272 Fe7.551 H12 Mg2.385 Na1.728 O93 Si18 -","","","","Gadas, P.; Novak, M.; Cempirek, J.; Filip, J.; Galiova, M. V.; Groat, L. A.; Vsiansky, D.","Mineral assemblages, compositional variation, and crystal structure of feruvitic tourmaline from a contaminated anatectic pegmatite at Mirosov near Strazek, Moldanubian zone, Czech Republic Note: site occupancies from typical X-ray diffraction analysis","The Canadian Mineralogist","2014","52","","285","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:32",""
"9017193","16.0047","","16.0047","","7.212","","90","","90","","120","","1599.86","","","","","","","","","","","","Mirosov, Moldanubian zone, Czech Republic","13","R 3 m :H","R 3 -2""","160","","","Feruvite","- Al5.592 B3 Ca0.494 F0.06 Fe2.472 H4.648 Mg0.939 Mn0.03 Na0.451 O30.94 Si5.88 Ti0.084 Zn0.006 -","- Al16.776 B9 Ca1.482 F0.18 Fe7.416 H7.968 Mg2.817 Mn0.09 Na1.353 O92.82 Si17.64 Ti0.252 Zn0.018 -","- Al16.776 B9 Ca1.482 F0.18 Fe7.416 H7.968 Mg2.817 Mn0.09 Na1.353 O92.82 Si17.64 Ti0.252 Zn0.018 -","","","","Gadas, P.; Novak, M.; Cempirek, J.; Filip, J.; Galiova, M. V.; Groat, L. A.; Vsiansky, D.","Mineral assemblages, compositional variation, and crystal structure of feruvitic tourmaline from a contaminated anatectic pegmatite at Mirosov near Strazek, Moldanubian zone, Czech Republic Note: site occupancies from electron density approximation","The Canadian Mineralogist","2014","52","","285","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:32",""
"9017194","10.9515","","10.9515","","10.3038","","90","","90","","90","","1235.79","","","","","","","","","","","","Itsi Range, Yukon Territory, Canada","5","I -4 2 m","I -4 2","121","","","Itsiite","- B2 Ba2 Ca O14 Si4 -","- B8 Ba8 Ca4 O56 Si16 -","- B8 Ba8 Ca4 O56 Si16 -","","","","Kampf, A. R.; Peterson, R. C.; Joy, B. R.","Itsiite, Ba2Ca(BSi2O7)2, a new mineral species from Yukon, Canada: description and crystal structure","The Canadian Mineralogist","2014","52","","401","407","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:32",""
"9017195","17.906","","17.927","","21.23","","90","","98.081","","90","","6747.18","","","","","","","","","","","","Good Hope mine, Vulcan, Colorado, USA","3","C 1 2/c 1","-C 2yc","15","","","Cameronite","- Ag3.5 Cu24.5 Te35 -","- Ag14 Cu98 Te140 -","- Ag14 Cu98 Te140 -","","","","Bindi, L.; Pinch, W. W.","Cameronite, Cu5-x(Cu,Ag)3+xTe10 (x = 0.43), from the Good Hope mine, Vulcan, Colorado: Crystal structure and revision of the chemical formula","The Canadian Mineralogist","2014","52","","423","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:32",""
"9017196","14.281","","4.9478","","24.1127","","90","","90","","90","","1703.79","","","","","","","","","","","","Tolbachik volcano, Kamchatka, Russia","8","P n 21 a","P -2ac -2n","33","","","Wulffite","- Cs0.04 Cu3.99 K2.85 Na O18 Rb0.08 S4 Zn0.02 -","- Cs0.1596 Cu15.96 K11.4 Na4 O72 Rb0.3204 S16 Zn0.08 -","- Cs0.1596 Cu15.96 K11.4 Na4 O72 Rb0.3204 S16 Zn0.08 -","","","","Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Chukanov, N. V.; Lykova, I. S.; Savelyev, D. P.; Sidorov, E. G.; Pushcharovsky, D. Y.","Wulffite, K3NaCu4O2(SO4)4, and parawulffite, K5Na3Cu8O4(SO4)8, two new minerals from fumarole sublimates of the Tolbachik volcano, Kamchatka, Russia","The Canadian Mineralogist","2014","52","","699","716","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:32",""
"9017197","13.9043","","4.9765","","23.5855","","90","","90.209","","90","","1631.98","","","","","","","","","","","","Tolbachik volcano, Kamchatka, Russia","8","P 1 2/c 1","-P 2yc","13","","","Parawulffite","- Cs0.14 Cu7.95 K4.75 Na2.95 O36 Rb0.25 S8 Zn0.04 -","- Cs0.28 Cu15.9 K9.5 Na5.89998 O72 Rb0.5 S16 Zn0.08 -","- Cs0.28 Cu15.9 K9.5 Na5.89998 O72 Rb0.5 S16 Zn0.08 -","","","","Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Chukanov, N. V.; Lykova, I. S.; Savelyev, D. P.; Sidorov, E. G.; Pushcharovsky, D. Y.","Wulffite, K3NaCu4O2(SO4)4, and parawulffite, K5Na3Cu8O4(SO4)8, two new minerals from fumarole sublimates of the Tolbachik volcano, Kamchatka, Russia","The Canadian Mineralogist","2014","52","","699","716","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:32",""
"9017198","5.437","","7.141","","21.69","","92.97","","96.07","","90.01","","836.268","","","","","","","","","","","","Kirovskii mine, Khibiny alkaline massif, Kola Peninsula, Russia","15","P -1","-P 1","2","","","Saamite","- Al0.01 Ba0.61 Ca0.26 F0.74 Fe0.04 H5.26 K0.13 Mg0.01 Mn0.68 Na2.22 Nb0.76 O19.26 Si4 Sr0.2 Ti2.09 -","- Al0.01 Ba0.61 Ca0.26 F0.74 Fe0.04 H5.26 K0.13 Mg0.01 Mn0.68 Na2.22 Nb0.76 O19.26 Si4 Sr0.2 Ti2.09 -","- Al0.02 Ba1.22 Ca0.52 F1.48 Fe0.08 H10.52 K0.26 Mg0.02 Mn1.36 Na4.44 Nb1.52 O38.52 Si8 Sr0.4 Ti4.18 -","2","1","","Camara, F.; Sokolova, E.; Abdu, Y. A.; Hawthorne, F. C.","Saamite, Ba[]TiNbNa3Ti(Si2O7)2O2(OH)2(H2O)2, a group-III Ti-disilicate mineral from the Khibiny alkaline massif, Kola Peninsula, Russia: description and crystal structure","The Canadian Mineralogist","2014","52","","745","761","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017232","10.0001","","5.7465","","9.8076","","90","","90.713","","90","","563.556","","","","","","","","","","","","Apuan Alps, Tuscany, Italy","4","P 1 2/n 1","-P 2yac","13","","","Ferrihollandite","- Ba0.507 Fe0.508 Mn3.492 O8 -","- Ba2.03 Fe2.032 Mn13.968 O32 -","- Ba2.03 Fe2.032 Mn13.968 O32 -","","","","Biagioni, C.; Capalbo, C.; Lezzerini, M.; Pasero, M.","Ferrihollandite, BaMn4+6Fe3+2O16, from Apuan Alps, Tuscany, Italy: description and crystal structure","European Journal of Mineralogy","2014","26","","171","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:49",""
"9017233","12.5","","9.5","","3.2","","90","","97.6","","90","","376.662","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Chukanovite","- C H2 Fe2 O5 -","- C H2 Fe2 O5 -","- C4 H8 Fe8 O20 -","4","1","","Pignatelli, I.; Mugnaioli, E.; Mosser-Ruck R; Barres, O.; Kolb, U.; Michau, N.","A multi-technique, micrometer- to atomic-scale description of a synthetic analogue of chukanovite, Fe2(CO3)(OH)2","European Journal of Mineralogy","2014","26","","221","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017234","15.926","","15.926","","7.21","","90","","90","","120","","1583.72","","","","","","","","","","","","Shabrovskoe ore district, Middle Urals, Russia","10","R 3 m :H","R 3 -2""","160","","","Dravite","- Al5.7 B3 Ca0.06 Cr0.72 Fe0.18 H3.96 Mg2.52 Na0.64 O31 Si5.88 -","- Al5.7 B3 Ca0.06 Cr0.72 Fe0.18 H3.96 Mg2.52 Na0.64 O31 Si5.88 -","- Al17.1 B9 Ca0.18 Cr2.16 Fe0.54 H11.88 Mg7.56 Na1.92 O93 Si17.64 -","3","0.166667","","Vereshchagin, O. S.; Rozhdestvenskaya, I. V.; Frank-Kamenetskaya O V; Zolotarev, A. A.","Ion substitutions and structural adjustment in Cr-bearing tourmalines Note: Sample 1","European Journal of Mineralogy","2014","26","","309","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","283861","2023-05-18","12:40:59",""
"9017235","15.933","","15.933","","7.213","","90","","90","","120","","1585.78","","","","","","","","","","","","Shabrovskoe ore district, Middle Urals, Russia","11","R 3 m :H","R 3 -2""","160","","","Dravite","- Al5.91 B3 Ca0.02 Cr0.72 Fe0.09 H3.68 K0.01 Mg2.34 Na0.76 O31 Si5.94 -","- Al5.91 B3 Ca0.02 Cr0.72 Fe0.09 H3.68 K0.01 Mg2.34 Na0.76 O31 Si5.94 -","- Al17.73 B9 Ca0.06 Cr2.16 Fe0.27 H11.04 K0.03 Mg7.02 Na2.28 O93 Si17.82 -","3","0.166667","","Vereshchagin, O. S.; Rozhdestvenskaya, I. V.; Frank-Kamenetskaya O V; Zolotarev, A. A.","Ion substitutions and structural adjustment in Cr-bearing tourmalines Note: Sample 2","European Journal of Mineralogy","2014","26","","309","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","283862","2023-05-18","12:42:19",""
"9017236","15.933","","15.933","","7.213","","90","","90","","120","","1585.78","","","","","","","","","","","","Shabrovskoe ore district, Middle Urals, Russia","10","R 3 m :H","R 3 -2""","160","","","Dravite","- Al5.85 B3 Ca0.13 Cr0.81 Fe0.09 H3.4 Mg2.25 Na0.63 O31 Si6 -","- Al5.85 B3 Ca0.13 Cr0.81 Fe0.09 H3.4 Mg2.25 Na0.63 O31 Si6 -","- Al17.55 B9 Ca0.39 Cr2.43 Fe0.27 H10.2 Mg6.75 Na1.89 O93 Si18 -","3","0.166667","","Vereshchagin, O. S.; Rozhdestvenskaya, I. V.; Frank-Kamenetskaya O V; Zolotarev, A. A.","Ion substitutions and structural adjustment in Cr-bearing tourmalines Note: Sample 3","European Journal of Mineralogy","2014","26","","309","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","283863","2023-05-18","12:44:48",""
"9017237","15.921","","15.921","","7.194","","90","","90","","120","","1579.22","","","","","","","","","","","","Umba Valley, Tanzania","9","R 3 m :H","R 3 -2""","160","","","Dravite","- Al6.15 B3 Ca0.41 Cr0.18 H3.56 Mg2.79 Na0.43 O31 Si5.88 -","- Al6.15 B3 Ca0.41 Cr0.18 H3.56 Mg2.79 Na0.43 O31 Si5.88 -","- Al18.45 B9 Ca1.23 Cr0.54 H10.68 Mg8.37 Na1.29 O93 Si17.64 -","3","0.166667","","Vereshchagin, O. S.; Rozhdestvenskaya, I. V.; Frank-Kamenetskaya O V; Zolotarev, A. A.","Ion substitutions and structural adjustment in Cr-bearing tourmalines Note: Sample 4","European Journal of Mineralogy","2014","26","","309","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","283863","2023-05-18","12:44:49",""
"9017238","10.3719","","10.3719","","20.8752","","90","","90","","120","","1944.81","","","","","","","","","","","","Buca della Vena mine, Apuan Alps, Tuscany, Italy","17","R -3 :H","-R 3","148","","","Mapiquiroite","- Al0.036 Ca0.026 Ce0.101 Cr1.62 Fe5.42 La0.176 Mn0.072 Na0.03 Nb0.018 O38 Pb0.105 Sn0.018 Sr0.533 Ti12.42 U0.407 V0.18 Y0.205 -","- Al0.036 Ca0.026 Ce0.101 Cr1.62 Fe5.42 La0.176 Mn0.072 Na0.03 Nb0.018 O38 Pb0.105 Sn0.018 Sr0.533 Ti12.42 U0.407 V0.18 Y0.205 -","- Al0.108 Ca0.078 Ce0.303 Cr4.86 Fe16.26 La0.528 Mn0.216 Na0.09 Nb0.054 O114 Pb0.315 Sn0.054 Sr1.599 Ti37.26 U1.221 V0.54 Y0.615 -","3","0.166667","","Biagioni, C.; Orlandi, P.; Pasero, M.; Nestola, F.; Bindi, L.","Mapiquiroite, (Sr,Pb)(U,Y)Fe2(Ti,Fe3+)18O38, a new member of the crichtonite group from the Apuan Alps, Tuscany, Italy","European Journal of Mineralogy","2014","26","","427","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017239","10.3854","","10.3854","","20.8942","","90","","90","","120","","1951.65","","","","","","","","","","","","Monte Arsiccio mine, Apuan Alps, Tuscany, Italy","18","R -3 :H","-R 3","148","","","Mapiquiroite","- Al0.036 Ca0.014 Ce0.021 Cr0.018 Fe6.682 La0.009 Mn0.005 Na0.019 Nb0.036 O38 Pb0.248 Sn18 Sr0.312 Ti12.078 U0.858 V0.378 Y0.07 Zn0.304 -","- Al0.036 Ca0.014 Ce0.021 Cr0.018 Fe6.682 La0.009 Mn0.005 Na0.019 Nb0.036 O38 Pb0.248 Sn18 Sr0.312 Ti12.078 U0.858 V0.378 Y0.07 Zn0.304 -","- Al0.108 Ca0.042 Ce0.063 Cr0.054 Fe20.046 La0.027 Mn0.015 Na0.057 Nb0.108 O114 Pb0.744 Sn54 Sr0.936 Ti36.234 U2.574 V1.134 Y0.21 Zn0.912 -","3","0.166667","","Biagioni, C.; Orlandi, P.; Pasero, M.; Nestola, F.; Bindi, L.","Mapiquiroite, (Sr,Pb)(U,Y)Fe2(Ti,Fe3+)18O38, a new member of the crichtonite group from the Apuan Alps, Tuscany, Italy","European Journal of Mineralogy","2014","26","","427","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017240","10.958","","14.483","","10.494","","90","","113.61","","90","","1526.04","","","","","","","","","","","","Tolbachik fumaroles, Kamchatka Peninsula, Russia","4","P 1 21/c 1","-P 2ybc","14","","","Nicksobolevite","- Cl6 Cu7 O8 Se2 -","- Cl24 Cu28 O32 Se8 -","- Cl24 Cu28 O32 Se8 -","","","","Vergasova, L. P.; Semenova, T. F.; Krivovichev, S. V.; Filatov, S. K.; Zolotarev, A. A.; Ananiev, V. V.","Nicksobolevite, Cu7(SeO3)2O2Cl6, a new complex copper oxoselenite chloride from Tolbachik fumaroles, Kamchatka peninsula, Russia","European Journal of Mineralogy","2014","26","","439","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:50",""
"9017241","15.3444","","9.4158","","11.2858","","90","","118.632","","90","","1431.18","","","","","","","","","","","","Larvik Plutonic Complex, southern Norway","4","C 1 2/m 1","-C 2y","12","","","Peterandresenite","- H28 Mn4 Nb6 O33 -","- H56 Mn8 Nb12 O66 -","- H56 Mn8 Nb12 O66 -","","","","Friis, H.; Larsen, A. O.; Kampf, A. R.; Evans, R. J.; Selbekk; Sanchez, A. A.; Kihle, J.","Peterandresenite, Mn4Nb6O19*14H2O, a new mineral containing the Lindqvist ion from a syenite pegmatite of the Larvik Plutonic Complex, southern Norway","European Journal of Mineralogy","2014","26","","567","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:50",""
"9017242","16.0916","","16.0916","","21.7127","","90","","90","","120","","4869.04","","","","","","","","","","","","White Caps gold deposit, Manhattan district, Nye County, Nevada, USA","5","P 63/m","-P 6c","176","","","Whitecapsite","- As9 Fe9.508 H120 O104 Sb3 -","- As9 Fe9.508 H120 O104 Sb3 -","- As18 Fe19.016 H240 O208 Sb6 -","2","0.166667","","Pekov, I. V.; Zubkova, N. V.; Gottlicher, J.; Yapaskurt, V. O.; Chukanov, N. V.; Lykova, I. S.; Belakovskiy, D. I.; Jensen, M. C.; Leising, J. F.; Nikischer, A. J.; Pushcharovsky, D. Y.","Whitecapsite, a new hydrous iron and trivalent antimony arsenate mineral from the White Caps mine, Nevada, USA Note: Not all H atoms could be located","European Journal of Mineralogy","2014","26","","577","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017243","8.1758","","9.8292","","6.694","","105.041","","102.04","","106.025","","476.024","","","","","","","","","","","","Bezymyannyi volcano, Kamchatka, Russia","9","P -1","-P 1","2","","","Koksharovite","- Al0.3 Ca0.35 Fe1.45 Mg1.15 Na0.15 O12 P0.09 Ti0.15 V2.91 -","- Al0.6 Ca0.7 Fe2.9 Mg2.3 Na0.3 O24 P0.18 Ti0.3 V5.82 -","- Al0.6 Ca0.7 Fe2.9 Mg2.3 Na0.3 O24 P0.18 Ti0.3 V5.82 -","","","","Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Kartashov, P. M.; Polekhovsky, Y. S.; Murashko, M. N.; Pushcharovsky, D. Y.","Koksharovite, CaMg2Fe3+4(VO4)6, and grigorievite, Cu3Fe3+2Al2(VO4)6, two new howardevansite-group minerals from volcanic exhalations","European Journal of Mineralogy","2014","26","","667","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:50",""
"9017244","8.0217","","9.6858","","6.5475","","103.645","","102.369","","106.281","","452.598","","","","","","","","","","","","Great Tolbachik Fissure Eruption, Kamchatka, Russia","9","P -1","-P 1","2","","","Grigorievite","- Al2.2 Ca0.2 Cu1.99 Fe1.6 Mg0.64 O24 P0.06 Ti0.2 V5.94 -","- Al2.2 Ca0.2 Cu1.99 Fe1.6 Mg0.64 O24 P0.06 Ti0.2 V5.94 -","- Al2.2 Ca0.2 Cu1.99 Fe1.6 Mg0.64 O24 P0.06 Ti0.2 V5.94 -","","","","Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Kartashov, P. M.; Polekhovsky, Y. S.; Murashko, M. N.; Pushcharovsky, D. Y.","Koksharovite, CaMg2Fe3+4(VO4)6, and grigorievite, Cu3Fe3+2Al2(VO4)6, two new howardevansite-group minerals from volcanic exhalations","European Journal of Mineralogy","2014","26","","667","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:50",""
"9017245","9.86","","9.86","","9.7","","90","","90","","90","","943.03","","","","100","","","","","","","","El Dragon mine, Potosi Department, Bolivia","7","P 4/n :2","-P 4a","85","","","Favreauite","- Bi0.9 Ca0.17 Cu5.81 H3 O18 Pb0.95 Se4 -","- Bi0.9 Ca0.17 Cu5.8098 H3 O18 Pb0.95 Se4 -","- Bi1.8 Ca0.34 Cu11.6196 H6 O36 Pb1.9 Se8 -","2","0.25","","Mills, S. J.; Kampf, A. R.; Christy, A. G.; Housley, R. M.; Thorne, B.; Chen, Y. S.; Steele, I. M.","Favreauite, a new selenite mineral from the El Dragon mine, Bolivia Note: T = 100 K","European Journal of Mineralogy","2014","26","","771","781","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9017268","9.524","","8.672","","5.2411","","90","","107.36","","90","","413.156","","","","","","","","2100000","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Kosmochlor","- Cr Na O6 Si2 -","- Cr4 Na4 O24 Si8 -","- Cr4 Na4 O24 Si8 -","","","","Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.","High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 2.1 GPa","Physics and Chemistry of Minerals","2014","41","","695","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017269","9.197","","8.327","","5.0572","","90","","106.23","","90","","371.863","","","","","","","","18500000","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Kosmochlor","- Cr Na O6 Si2 -","- Cr4 Na4 O24 Si8 -","- Cr4 Na4 O24 Si8 -","","","","Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.","High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 18.5 GPa","Physics and Chemistry of Minerals","2014","41","","695","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017270","9.084","","8.077","","4.9544","","90","","105.7","","90","","349.95","","","","","","","","31300000","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Kosmochlor","- Cr Na O6 Si2 -","- Cr4 Na4 O24 Si8 -","- Cr4 Na4 O24 Si8 -","","","","Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.","High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 31.3 GPa","Physics and Chemistry of Minerals","2014","41","","695","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017271","9.076","","7.971","","4.9309","","90","","105.56","","90","","343.651","","","","","","","","35300000","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Kosmochlor","- Cr Na O6 Si2 -","- Cr4 Na4 O24 Si8 -","- Cr4 Na4 O24 Si8 -","","","","Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.","High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 35.3 GPa","Physics and Chemistry of Minerals","2014","41","","695","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017272","9.011","","7.918","","4.8955","","90","","105.1","","90","","337.229","","","","","","","","40200000","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Kosmochlor","- Cr Na O6 Si2 -","- Cr4 Na4 O24 Si8 -","- Cr4 Na4 O24 Si8 -","","","","Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.","High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 40.2 GPa","Physics and Chemistry of Minerals","2014","41","","695","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017273","9.368","","8.539","","5.1975","","90","","107.44","","90","","396.653","","","","","","","","1900000","","","","Clear Creek, San Benito County, California, USA","4","C 1 2/c 1","-C 2yc","15","","","Jadeite","- Al Na O6 Si2 -","- Al4 Na4 O24 Si8 -","- Al4 Na4 O24 Si8 -","","","","Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.","High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 1.9 GPa","Physics and Chemistry of Minerals","2014","41","","695","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017274","9.3","","8.447","","5.157","","90","","107.14","","90","","387.127","","","","","","","","5600000","","","","Clear Creek, San Benito County, California, USA","4","C 1 2/c 1","-C 2yc","15","","","Jadeite","- Al Na O6 Si2 -","- Al4 Na4 O24 Si8 -","- Al4 Na4 O24 Si8 -","","","","Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.","High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 5.6 GPa","Physics and Chemistry of Minerals","2014","41","","695","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017275","9.243","","8.407","","5.122","","90","","106.85","","90","","380.922","","","","","","","","8200000","","","","Clear Creek, San Benito County, California, USA","4","C 1 2/c 1","-C 2yc","15","","","Jadeite","- Al Na O6 Si2 -","- Al4 Na4 O24 Si8 -","- Al4 Na4 O24 Si8 -","","","","Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.","High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 8.2 GPa","Physics and Chemistry of Minerals","2014","41","","695","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017276","9.163","","8.34","","5.0739","","90","","106.52","","90","","371.739","","","","","","","","12400000","","","","Clear Creek, San Benito County, California, USA","4","C 1 2/c 1","-C 2yc","15","","","Jadeite","- Al Na O6 Si2 -","- Al4 Na4 O24 Si8 -","- Al4 Na4 O24 Si8 -","","","","Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.","High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 12.4 GPa","Physics and Chemistry of Minerals","2014","41","","695","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017277","9.082","","8.2","","5.02","","90","","106.12","","90","","359.152","","","","","","","","18300000","","","","Clear Creek, San Benito County, California, USA","4","C 1 2/c 1","-C 2yc","15","","","Jadeite","- Al Na O6 Si2 -","- Al4 Na4 O24 Si8 -","- Al4 Na4 O24 Si8 -","","","","Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.","High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 18.3 GPa","Physics and Chemistry of Minerals","2014","41","","695","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017278","9.034","","8.184","","4.9875","","90","","106.02","","90","","354.427","","","","","","","","21500000","","","","Clear Creek, San Benito County, California, USA","4","C 1 2/c 1","-C 2yc","15","","","Jadeite","- Al Na O6 Si2 -","- Al4 Na4 O24 Si8 -","- Al4 Na4 O24 Si8 -","","","","Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.","High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 21.5 GPa","Physics and Chemistry of Minerals","2014","41","","695","707","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017351","10.1936","","24.1959","","6.3218","","90","","91.161","","90","","1558.91","","","","","","","","","","","","Moculta quarry, Angaston, Australia","8","C 1 2/c 1","-C 2yc","15","","","Calcioferrite","- Al0.534 Ca1.97 Fe1.465 H14 Mg0.5 O20 P3 Sr0.03 -","- Al0.534 Ca1.97 Fe1.465 H14 Mg0.5 O20 P3 Sr0.03 -","- Al2.136 Ca7.88 Fe5.86 H56 Mg2 O80 P12 Sr0.12 -","4","0.5","","Lafuente, B.; Downs, R. T.; Yang H and Jenkins, R. A.","Calcioferrite with composition (Ca3.94Sr0.06)Mg1.01(Fe2.93Al1.07)(PO4)6(OH)4*12H2O","Acta Crystallographica, Section E","2014","70","","116","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017384","10.381","","10.381","","10.381","","90","","90","","90","","1118.71","","","","","","","","","","","","Maoniuping mine, Mianning County, Xichang prefecture, Sichuan Province, China","13","F d -3 m :2","-F 4vw 2vw 3","227","","","Hydroxycalciopyrochlore","- Al0.01 Ca0.74 Ce0.05 F0.09 Fe0.02 H0.91 Mg0.01 Na0.58 Nb1.15 O6.91 Ta0.03 Ti0.8 U0.4 -","- Al0.08 Ca5.92 Ce0.4 F0.72 Fe0.16 Mg0.08 Na4.64 Nb9.2 O55.28 Ta0.24 Ti6.4 U3.2 -","- Al0.08 Ca5.92 Ce0.4 F0.72 Fe0.16 Mg0.08 Na4.64 Nb9.2 O55.28 Ta0.24 Ti6.4 U3.2 -","","","","Yang, G.; Li, G.; Xiong, M.; Pan, B.; Yan, C.","Hydroxycalciopyrochlore, a new mineral species from Sichuan, China","Acta Geologica Sinica","2014","88","","748","753","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:58",""
"9017426","4.487","","5.629","","9.732","","90","","90","","90","","245.804","","","","","","","","","","","","Mariinskoe deposit (Middle Urals, Russia)","4","P 21 21 21 (a+1/4,b-1/4,c)","P 2ac 2ab (x-1/4,y+1/4,z)","19","","","Mariinskite","- Al0.32 Be0.45 Cr0.71 O2 -","- Al2.56 Be3.6 Cr5.68 O16 -","- Al2.56 Be3.6 Cr5.68 O16 -","","","","Yamnova, N. A.; Aksenov, S. M.; Pautov, L. A.; Popov, M. P.; Erokhin, Y. V.","Specific features of cation distribution in the crystal structure of mariinskite BeCr2O4 (derivative of olivine-type structure) Note: Sample 1","Crystallography Reports","2014","59","","30","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:59",""
"9017427","4.478","","5.62","","9.746","","90","","90","","90","","245.271","","","","","","","","","","","","Mariinskoe deposit (Middle Urals, Russia)","4","P 21 21 21 (a+1/4,b-1/4,c)","P 2ac 2ab (x-1/4,y+1/4,z)","19","","","Mariinskite","- Al0.37 Be0.45 Cr0.66 O2 -","- Al2.96 Be3.6 Cr5.28 O16 -","- Al2.96 Be3.6 Cr5.28 O16 -","","","","Yamnova, N. A.; Aksenov, S. M.; Pautov, L. A.; Popov, M. P.; Erokhin, Y. V.","Specific features of cation distribution in the crystal structure of mariinskite BeCr2O4 (derivative of olivine-type structure) Note: Sample 2","Crystallography Reports","2014","59","","30","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:59",""
"9017461","10.4359","","10.4359","","21.0471","","90","","90","","120","","1985.1","","","","","","","","","","","","Novo Horizonte, Bahia, Brazil","9","R -3 :H","-R 3","148","","","Almeidaite","- Fe4.9 H0.82 Mn0.8 O38 Pb0.6 Sr0.1 Ti13.4 Y0.4 Zn1.5 -","- Fe4.8998 H0.82 Mn0.7998 O38 Pb0.6 Sr0.1 Ti13.3998 Y0.4 Zn1.5 -","- Fe14.6994 H2.46 Mn2.3994 O114 Pb1.8 Sr0.3 Ti40.1994 Y1.2 Zn4.5 -","3","0.166667","","Kastsvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V.; Menezes, L. A. D.","Crystal structure of almeidaite, a new mineral of the crichtonite group","Doklady Chemistry","2014","455","","53","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:47",""
"9017463","8.09015","","5.90913","","17.4839","","90","","109.99","","90","","785.474","","","","","","","","","","","","Berezovskii deposit, Central Urals, Russia","7","P 1 21/c 1","-P 2ybc","14","","","Fornacite","- As0.79 Cr Cu H O9 P0.21 Pb2 -","- As0.79 Cr Cu H O9 P0.21 Pb2 -","- As3.16 Cr4 Cu4 H4 O36 P0.84 Pb8 -","4","1","","Ksenofontov, D. A.; Kabalov, Y. K.; Pekov, I. V.; Zubkova, N. V.; Ekimenkova, I. A.; Pushcharovskii, D. Y.","Refinement of the crystal structure of fornacite using the Rietveld method","Doklady Earth Sciences","2014","456","","520","523","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017464","9.97511","","9.97511","","22.2887","","90","","90","","90","","2217.79","","","","","","","","","","","","Synthetic","4","I 41/a c d :2","-I 4bd 2c","142","","","Colinowensite","- Ba Cu O6 Si2 -","- Ba16 Cu16 O96 Si32 -","- Ba16 Cu16 O96 Si32 -","","","","Chen, Y.; Zhang, Y.; Feng, S.","Hydrothermal synthesis and properties of pigments Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7","Dyes and Pigments","2014","105","","167","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:00",""
"9017465","6.86317","","13.1773","","6.86317","","90","","90","","90","","620.692","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Scottyite","- Ba Cu2 O7 Si2 -","- Ba4 Cu8 O28 Si8 -","- Ba4 Cu8 O28 Si8 -","","","","Chen, Y.; Zhang, Y.; Feng, S.","Hydrothermal synthesis and properties of pigments Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7","Dyes and Pigments","2014","105","","167","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:00",""
"9017467","9.8759","","9.8759","","9.3102","","90","","90","","120","","786.399","","","","","","","","","","","","Caspar basalt quarry, Eifel volcanic district, Germany","7","P 6/m c c","-P 6 2c","192","","","Ferroindialite","- Al3.82 Fe1.39 K0.06 Mg0.85 Na0.03 O18 Si4.94 -","- Al7.64004 Fe2.78 K0.12 Mg1.7 Na0.06 O36 Si9.87996 -","- Al7.64004 Fe2.78 K0.12 Mg1.7 Na0.06 O36 Si9.87996 -","","","","Chukanov, N. V.; Aksenov, S. M.; Pekov, I. V.; Ternes, B.; Schuller, W.; Belakovskiy, D. I.; Van, K. V.; Blass, G.","Ferroindialite (Fe2+,Mg)2Al4Si5O18, a new beryl-group mineral from the Eifel volcanic region, Germany","Geology of Ore Deposits","2014","56","","637","643","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:00",""
"9017468","8.975","","8.979","","12.135","","74.328","","80.651","","73.959","","900.819","","","","","","","","","","","","Mt. Malyi Punkaruaiv, Lovozero alkaline complex, Kola Peninsula, Russia","7","P -1","-P 1","2","","","Zvyaginite","- H11 Na1.43 Nb1.56 O22 Si4 Ti1.395 Zn1.2 -","- H11 Na1.43 Nb1.56 O22 Si4 Ti1.4 Zn1.2 -","- H22 Na2.86 Nb3.12 O44 Si8 Ti2.8 Zn2.4 -","2","1","","Pekov, I. V.; Lykova, I. S.; Chukanov, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Zolotarev, A. A.; Zubkova, N. V.","Zvyaginite, NaZnNb2Ti[Si2O7]2O(OH,F)3(H2O)4+x(x<1), a new mineral of the epistolite group from the Lovozero alkaline pluton, Kola Peninsula, Russia","Geology of Ore Deposits","2014","56","","644","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:47",""
"9017493","8.3364","","8.3364","","8.3364","","90","","90","","90","","579.343","","","","","","","","","","","","Synthetic","2","P 43 3 2","P 4acd 2ab 3","212","","","Maghemite","- Fe2.645 O3.99 -","- Fe21.16 O31.92 -","- Fe21.16 O31.92 -","","","","Solano, E.; Frontera, C.; Puig, T.; Obradors, X.; Ricart, S.; Ros, J.","Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route","Journal of Applied Crystallography","2014","47","","414","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:02",""
"9017501","21.1507","","5.3469","","34.6711","","90","","104.913","","90","","3788.91","","","","","","","","","","","","Blue Lizard mine, San Juan County, Utah, USA","6","C 1 2/c 1","-C 2yc","15","","","Bluelizardite","- Cl0.94 H4 Na7 O20.06 S4 U -","- Cl0.94 H4 Na7 O20.06 S4 U -","- Cl7.52 H32 Na56 O160.48 S32 U8 -","8","1","","Plasil, J.; Kampf, A. R.; Kasatkin, A. V.; Marty, J.","Bluelizardite, Na7(UO2)(SO4)4Cl(H2O)2, a new uranyl sulfate mineral from the Blue Lizard mine, San Juan County, Utah, USA","Journal of Geosciences","2014","59","","145","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""
"9017504","15.929","","15.929","","7.183","","90","","90","","120","","1578.39","","","","","","","","","","","","Kiura mine, Saiki City, Oita Prefecture, Japan","10","R 3 m :H","R 3 -2""","160","","","Adachiite","- Al7.47 B3 Ca0.62 Fe1.72 H4 Mg0.6 Na0.28 O31 Si5.15 Ti0.06 -","- Al22.41 B9 Ca1.86 Fe5.15997 H12 Mg1.80009 Na0.84 O93 Si15.4499 Ti0.18 -","- Al22.41 B9 Ca1.86 Fe5.15997 H12 Mg1.80009 Na0.84 O93 Si15.4499 Ti0.18 -","","","","Nishio-Hamane D; Minakawa, T.; Yamaura, J.; Oyama, T.; Ohnishi, M.; Shimobayashi, N.","Adachiite, a Si-poor member of the tourmaline supergroup from the Kiura mine, Oita Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2014","109","","74","78","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:03",""
"9017631","8.013","","24.829","","11.762","","90","","132.84","","90","","1715.9","","","","","","","","","","","","Lengenbach quarry, Binn Valley, Switzerland","4","P 1 21/c 1","-P 2ybc","14","","","Philrothite","- As5.56 S10 Sb0.44 Tl2 -","- As22.24 S40 Sb1.76 Tl8 -","- As22.24 S40 Sb1.76 Tl8 -","","","","Bindi, L.; Nestola, F.; Makovicky, E.; Guastoni, A.; De Battisti, L.","Tl-bearing sulfosalt from the Lengenbach quarry, Binn Valley, Switzerland: Philrothite, TlAs3S5","Mineralogical Magazine","2014","78","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:20:17",""
"9017632","18.9506","","22.5045","","5.278","","90","","90","","90","","2250.93","","","","","","","","","","","","Eldor carbonatite complex, Labrador Trough, Quebec, Canada","9","C m m a","-C 2a 2","67","","","Magbasite","- Al0.1 Ba F6 Fe1.633 H2 K Mg6.267 O24 Si8 -","- Al0.1 Ba F6 Fe1.633 H2 K Mg6.267 O24 Si8 -","- Al0.4 Ba4 F24 Fe6.532 H8 K4 Mg25.068 O96 Si32 -","4","0.25","","Welch, M. D.; Mitchell, R. H.; Kampf, A. R.; Chakhmouradian; Smith, D.; Carter, M.","Crystal structure and topological affinities of magbasite, KBaFe3+Mg7Si8O22(OH)2F6: a trellis structure related to amphibole and carpholite","Mineralogical Magazine","2014","78","","29","45","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017633","5.0864","","8.8186","","19.1098","","90","","95.445","","90","","853.301","","","","100","","","","","","","","the Harding pegmatite, Picuris Range, New Mexico, USA","8","C 1 2/c 1","-C 2yc","15","","","Bityite","- Al3.44 Be0.16 Ca0.74 H1.66 Li0.39 Na0.26 O12 Si2.29 -","- Al13.76 Be0.64 Ca2.96 H6.64 Li1.56 Na1.04 O48 Si9.16 -","- Al13.76 Be0.64 Ca2.96 H6.64 Li1.56 Na1.04 O48 Si9.16 -","","","","Gatta, G. D.; Nenert, G.; Guastella, G.; Lotti, P.; Guastoni, A.; Rizzato, S.","A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica Note: X-ray, T = 100 K","Mineralogical Magazine","2014","78","","55","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:20:41",""
"9017634","5.0864","","8.8186","","19.1098","","90","","95.445","","90","","853.301","","","","100","","","","","","","","the Harding pegmatite, Picuris Range, New Mexico, USA","8","C 1 c 1","C -2yc","9","","","Bityite","- Al3.756 Be0.244 Ca0.771 H1.69 Li0.413 Na0.229 O12 Si2 -","- Al15.024 Be0.976 Ca3.084 H6.76 Li1.652 Na0.916 O48 Si8 -","- Al15.024 Be0.976 Ca3.084 H6.76 Li1.652 Na0.916 O48 Si8 -","","","","Gatta, G. D.; Nenert, G.; Guastella, G.; Lotti, P.; Guastoni, A.; Rizzato, S.","A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica Note: X-ray, T = 100 K","Mineralogical Magazine","2014","78","","55","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:20:44",""
"9017635","5.059","","8.7909","","19.0176","","90","","95.459","","90","","841.937","","","","20","","","","","","","","the Harding pegmatite, Picuris Range, New Mexico, USA","8","C 1 2/c 1","-C 2yc","15","","","Bityite","- Al3.864 Be0.16 Ca0.81 H1.672 Li0.291 Na0.19 O12 Si1.904 -","- Al3.864 Be0.16 Ca0.81 H1.672 Li0.291 Na0.19 O12 Si1.904 -","- Al15.456 Be0.64 Ca3.24 H6.688 Li1.164 Na0.76 O48 Si7.616 -","4","0.5","","Gatta, G. D.; Nenert, G.; Guastella, G.; Lotti, P.; Guastoni, A.; Rizzato, S.","A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica Note: Neutron, T = 20 K","Mineralogical Magazine","2014","78","","55","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","288653","2024-01-03","17:00:04",""
"9017636","5.059","","8.7909","","19.0176","","90","","95.459","","90","","841.937","","","","20","","","","","","","","the Harding pegmatite, Picuris Range, New Mexico, USA","8","C 1 c 1","C -2yc","9","","","Bityite","- Al3.89 Be0.11 Ca0.79 H1.69 Li0.266 Na0.21 O12 Si2 -","- Al15.56 Be0.44 Ca3.16 H6.76 Li1.066 Na0.84 O48 Si8 -","- Al15.56 Be0.44 Ca3.16 H6.76 Li1.066 Na0.84 O48 Si8 -","","","","Gatta, G. D.; Nenert, G.; Guastella, G.; Lotti, P.; Guastoni, A.; Rizzato, S.","A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica Note: Neutron, T = 20 K","Mineralogical Magazine","2014","78","","55","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:20:47",""
"9017637","10.1386","","10.1386","","11.3441","","90","","90","","90","","1166.07","","","","","","","","","","","","Monte Arsiccio mine, Apuan Alps, Tuscany, Italy","8","I -4 2 m","I -4 2","121","","","Arsiccioite","- Ag0.88 As1.58 Cu0.13 Hg1.91 S6 Sb0.42 Tl1.64 Zn0.08 -","- Ag3.52 As6.32 Cu0.52 Hg7.64 S24 Sb1.68 Tl6.56 Zn0.32 -","- Ag3.52 As6.32 Cu0.52 Hg7.64 S24 Sb1.68 Tl6.56 Zn0.32 -","","","","Biagioni, C.; Bonaccorsi, E.; Moelo, Y.; Orlandi, P.; Bindi, L.; D'Orazio M; Vezzoni, S.","Mercury-arsenic sulfosalts from the Apuan Alps (Tuscany, Italy). II. Arsiccioite, AgHg2TlAs2S6, a new mineral from the Monte Arsiccio mine: occurrence, crystal structure and crystal chemistry of the routhierite isotypic series Note: sample A","Mineralogical Magazine","2014","78","","101","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:20:47",""
"9017638","6.4298","","7.9716","","10.707","","85.737","","80.944","","84.982","","538.854","","","","","","","","","","","","Sv. Trojice vein, Svornost mine, Jachymov, Czech Republic","8","P -1","-P 1","2","","","Klajite","- As3.94 Ca0.26 Cu3.91 H22.46 Mg0.14 Mn0.46 O26 Si0.06 -","- As3.94 Ca0.26 Cu3.91 H22.46 Mg0.14 Mn0.46 O26 Si0.06 -","- As3.94 Ca0.26 Cu3.91 H22.46 Mg0.14 Mn0.46 O26 Si0.06 -","1","0.5","","Plasil, J.; Kasatkin, A. V.; Skoda, R.; Skacha, P.","Klajite, MnCu4(AsO4)2(AsO3OH)2(H2O)10, from Jachymov (Czech Republic): the second world occurrence","Mineralogical Magazine","2014","78","","119","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017639","15.351","","20.421","","18.27","","90","","90","","90","","5727.33","","","","","","","","","","","","Polar Bear peninsula, Southern Lake Cowan, Western Australia, Australia","7","P n m a","-P 2ac 2n","62","","","Putnisite","- C8 H66 Ca4 Cr8 O69 S Sr -","- C8 H66 Ca4 Cr8 O69 S Sr -","- C32 H264 Ca16 Cr32 O276 S4 Sr4 -","4","0.5","","Elliott, P.; Giester, G.; Rowe, R.; Pring, A.","Putnisite, SrCa4Cr3+8(CO3)8SO4(OH)16*25H2O, a new mineral from Western Australia: description and crystal structure","Mineralogical Magazine","2014","78","","131","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017640","8.3626","","8.3626","","8.3626","","90","","90","","90","","584.822","","","","","","","","","","","","Bon Accord, South Africa","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Trevorite","- Al0.01 Co0.02 Cr0.03 Fe2.42 Ni0.52 O4 -","- Al0.08 Co0.16 Cr0.24 Fe19.36 Ni4.16 O32 -","- Al0.08 Co0.16 Cr0.24 Fe19.36 Ni4.16 O32 -","","","","O'Driscoll B; Clay, P. L.; Cawthorn, P. L.; Lenaz, D.; Adetunji, J.; Kronz, A.","Trevorite: Ni-rich spinel formed by metasomatism and desulfurization processes at Bon Accord, South Africa?","Mineralogical Magazine","2014","78","","145","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:20:48",""
"9017641","18.284","","12.073","","9.535","","90","","108.1","","90","","2000.63","","","","","","","","","","","","La Fossa Crater, Vulcano, Aeolian islands, Italy","8","C 1 c 1","C -2yc","9","","","Therasiaite","- Cl5 Fe2 H3 K1.746 N2.254 Na2 O12 S3 -","- Cl20 Fe8 H36.064 K6.984 N9.016 Na8 O48 S12 -","- Cl20 Fe8 H36.064 K6.984 N9.016 Na8 O48 S12 -","","","","Demartin, F.; Castellano, C.; Campostrini, I.","Therasiaite, (NH4)3KNa2Fe2+Fe3+(SO4)3Cl5, a new sulfate chloride from La Fossa Crater, Vulcano, Aeolian islands, Italy","Mineralogical Magazine","2014","78","","203","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:20:48",""
"9017642","4.9817","","4.9817","","12.387","","90","","90","","120","","266.227","","","","","","","","","","","","Eldfell volcano, Heimaey, Iceland","4","R -3 c :H","-R 3 2""c","167","","","Oskarssonite","- Al F2.52 H0.48 O0.48 -","- Al F2.52 H0.48 O0.48 -","- Al6 F15.12 H2.88 O2.88 -","6","0.166667","","Jacobsen, M. J.; Balic-Zunic T; Mitolo, D.; Katerinopoulou, A.; Garavelli, A.; Jakobsson, S. P.","Oskarssonite, AlF3, a new fumarolic mineral from Eldfell volcano, Heimaey, Iceland","Mineralogical Magazine","2014","78","","215","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017643","9.849","","17.973","","5.2867","","90","","105.17","","90","","903.221","","","","","","","","","","","","Edenville, Orange County, New York, USA","12","C 1 2/m 1","-C 2y","12","","","Fluoro-pargasite","- Al1.86 Ca2.01 Cl0.01 F1.41 Fe0.21 H0.58 K0.11 Mg4.21 Na0.8 O22.58 Si6.6 Ti0.05 -","- Al1.86 Ca2.01 Cl0.01 F1.41 Fe0.21 H0.58 K0.11 Mg4.21 Na0.8 O22.58 Si6.6 Ti0.05 -","- Al3.72 Ca4.02 Cl0.02 F2.82 Fe0.42 H1.16 K0.22 Mg8.42 Na1.6 O45.16 Si13.2 Ti0.1 -","2","0.25","","Della Ventura, G.; Bellatreccia, F.; Camara, F.; Oberti, R.","Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite: a combined X-ray diffraction and FTIR spectroscopic approach Note: Sample J9698","Mineralogical Magazine","2014","78","","293","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017644","9.862","","17.998","","5.2942","","90","","105.17","","90","","906.956","","","","","","","","","","","","Edenville, Orange County, New York, USA","13","C 1 2/m 1","-C 2y","12","","","Fluoro-pargasite","- Al1.86 Ca2 Cl0.03 F1.18 Fe0.37 H0.8 K0.13 Mg4.09 Na0.75 O22.8 Si6.6 Ti0.04 Zn0.01 -","- Al1.86 Ca2 Cl0.03 F1.18 Fe0.37 H0.8 K0.13 Mg4.09 Na0.75 O22.8 Si6.6 Ti0.04 Zn0.01 -","- Al3.72 Ca4 Cl0.06 F2.36 Fe0.74 H1.6 K0.26 Mg8.18 Na1.5 O45.6 Si13.2 Ti0.08 Zn0.02 -","2","0.25","","Della Ventura, G.; Bellatreccia, F.; Camara, F.; Oberti, R.","Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite: a combined X-ray diffraction and FTIR spectroscopic approach Note: Sample FK1","Mineralogical Magazine","2014","78","","293","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017645","9.865","","18.026","","5.2836","","90","","105.013","","90","","907.494","","","","","","","","","","","","Sterling Hill, Ogdensburg, New Jersey, USA","14","C 1 2/m 1","-C 2y","12","","","Fluoro-edenite","- Al1.23 Ca1.92 Cl0.01 F1.31 Fe0.54 H0.68 K0.05 Mg4.34 Mn0.01 Na0.93 O22.68 Si6.86 Ti0.04 Zn0.01 -","- Al1.23 Ca1.92 Cl0.01 F1.31 Fe0.54 H0.68 K0.05 Mg4.34 Mn0.01 Na0.93 O22.68 Si6.86 Ti0.04 Zn0.01 -","- Al2.46 Ca3.84 Cl0.02 F2.62 Fe1.08 H1.36 K0.1 Mg8.68 Mn0.02 Na1.86 O45.36 Si13.72 Ti0.08 Zn0.02 -","2","0.25","","Della Ventura, G.; Bellatreccia, F.; Camara, F.; Oberti, R.","Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite: a combined X-ray diffraction and FTIR spectroscopic approach Note: Sample C2552","Mineralogical Magazine","2014","78","","293","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017646","9.871","","18.033","","5.2805","","90","","104.97","","90","","908.048","","","","","","","","","","","","Limecrest-Southdown Quarry, Sparta, New Jersey, USA","13","C 1 2/m 1","-C 2y","12","","","Fluoro-edenite","- Al0.97 Ca2.02 Cl0.01 F1.14 Fe0.18 H0.86 K0.11 Mg4.75 Mn0.01 Na0.65 O22.86 Si7.09 Ti0.01 -","- Al0.9696 Ca2.02 Cl0.01 F1.14 Fe0.18 H0.86 K0.11 Mg4.75 Mn0.01 Na0.65 O22.86 Si7.0904 Ti0.01 -","- Al1.9392 Ca4.04 Cl0.02 F2.28 Fe0.36 H1.72 K0.22 Mg9.5 Mn0.02 Na1.3 O45.72 Si14.1808 Ti0.02 -","2","0.25","","Della Ventura, G.; Bellatreccia, F.; Camara, F.; Oberti, R.","Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite: a combined X-ray diffraction and FTIR spectroscopic approach Note: Sample GE408","Mineralogical Magazine","2014","78","","293","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9017647","9.866","","17.987","","5.2817","","90","","105.16","","90","","904.671","","","","","","","","","","","","Franklin Quarry, Franklin, New Jersey, USA","13","C 1 2/m 1","-C 2y","12","","","Fluoro-edenite","- Al1.56 Ca1.97 Cl0.01 F1.46 Fe0.2 H0.53 K0.2 Mg4.38 Na0.74 O22.53 Si6.8 Ti0.01 Zn0.01 -","- Al1.56 Ca1.97 Cl0.01 F1.46 Fe0.2 H0.53 K0.2 Mg4.38 Na0.74 O22.53 Si6.8 Ti0.01 Zn0.01 -","- Al3.12 Ca3.94 Cl0.02 F2.92 Fe0.4 H1.06 K0.4 Mg8.76 Na1.48 O45.06 Si13.6 Ti0.02 Zn0.02 -","2","0.25","","Della Ventura, G.; Bellatreccia, F.; Camara, F.; Oberti, R.","Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite: a combined X-ray diffraction and FTIR spectroscopic approach Note: Sample G405","Mineralogical Magazine","2014","78","","293","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017648","9.616","","8.804","","5.274","","90","","106.67","","90","","427.728","","","","573.15","","","","","","","","Synthetic","6","C 1 2/c 1","-C 2yc","15","","","Jadeite","- Al0.53 Ca0.47 Fe0.47 Na0.53 O6 Si2 -","- Al2.12 Ca1.88 Fe1.88 Na2.12 O24 Si8 -","- Al2.12 Ca1.88 Fe1.88 Na2.12 O24 Si8 -","","","","Tribaudino, M.; Mantovani, L.","Thermal expansion in C2/c pyroxenes: a review and new high-temperature structural data for a pyroxene of composition (Na0.53Ca0.47)(Al0.53Fe0.47)Si2O6 (Jd53Hd47) Note: T = 300 C","Mineralogical Magazine","2014","78","","311","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:20:51",""
"9017649","9.653","","8.858","","5.288","","90","","106.76","","90","","432.95","","","","973.15","","","","","","","","Synthetic","6","C 1 2/c 1","-C 2yc","15","","","Jadeite","- Al0.53 Ca0.47 Fe0.47 Na0.53 O6 Si2 -","- Al2.12 Ca1.88 Fe1.88 Na2.12 O24 Si8 -","- Al2.12 Ca1.88 Fe1.88 Na2.12 O24 Si8 -","","","","Tribaudino, M.; Mantovani, L.","Thermal expansion in C2/c pyroxenes: a review and new high-temperature structural data for a pyroxene of composition (Na0.53Ca0.47)(Al0.53Fe0.47)Si2O6 (Jd53Hd47) Note: T = 700 C","Mineralogical Magazine","2014","78","","311","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:21:01",""
"9017650","6.5298","","18.5228","","9.6344","","90","","97.444","","90","","1155.46","","","","","","","","","","","","Santa Elena mine, San Juan Province, Argentina","5","P 1 21/n 1","-P 2yn","14","","","Sarmientite","- As Fe2 H11 O14 S -","- As Fe2 H11 O14 S -","- As4 Fe8 H44 O56 S4 -","4","1","","Colombo, F.; Rius, J.; Vallcorba, O.; Pannunzio Miner, E. V.","The crystal structure of sarmientite, Fe3+2(AsO4)(SO4)(OH)*5H2O, solved ab initio from laboratory powder diffraction data","Mineralogical Magazine","2014","78","","347","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017651","2.8964","","9.8225","","12.5808","","90","","90","","90","","357.922","","","","","","","","","","","","Synthetic","2","C m c m","-C 2c 2","63","","","","- Fe4 O5 -","- Fe16 O20 -","- Fe16 O20 -","","","","Guignard, J.; Crichton, W. A.","Synthesis and recovery of bulk Fe4O5 from magnetite, Fe3O4. A member of a self- similar series of structures for the lower mantle and transition zone","Mineralogical Magazine","2014","78","","361","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:21:13",""
"9017652","5.009","","7.533","","15.407","","103.061","","91.006","","109.285","","531.839","","","","","","","","","","","","Khibiny alkaline massif, Kola Peninsula, Russia","8","P -1","-P 1","2","","","Kihlmanite-(Ce)","- C4 H3.36 Ca0.62 Ce4 Nb0.48 O25.68 Si2 Ti1.52 -","- C4 H3.36 Ca0.62 Ce4 Nb0.48 O25.68 Si2 Ti1.52 -","- C4 H3.36 Ca0.62 Ce4 Nb0.48 O25.68 Si2 Ti1.52 -","1","0.5","","Yakovenchuk, V. N.; Krivovichev, S. V.; Ivanyuk, G. Y.; Pakhomovsky, Y. A.; Selivanova, E. A.; Zhitova, E. A.; Kalashnikova, G. O.; Zolotarev, A. A.; Mikhailova, J. A.; Kadyrova, G. I.","Kihlmanite-(Ce), Ce2TiO2[SiO4](HCO3)2(H2O), a new rare-earth mineral from the pegmatites of the Khibiny alkaline massif, Kola Peninsula, Russia","Mineralogical Magazine","2014","78","","483","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017653","7.6502","","6.7473","","7.9358","","90","","108.542","","90","","388.368","","","","","","","","","","","","Little Eva mine, Grand County, Utah, USA","4","P 1 21/c 1","-P 2ybc","14","","","Nestolaite","- Ca H2 O4 Se -","- Ca H2 O4 Se -","- Ca4 H8 O16 Se4 -","4","1","","Kasatkin, A. V.; Plasil, J.; Marty, J.; Agakhanov, A. A.; Belakovskiy, D. I.; Lykova, I. S.","Nestolaite, CaSeO3*H2O, a new mineral from the Little Eva mine, Grand County, Utah, USA","Mineralogical Magazine","2014","78","","497","505","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017654","7.3408","","7.3408","","17.0451","","90","","90","","120","","795.457","","","","","","","","","","","","Cerros Pintados, Iquique Province, Chile","8","R -3 m :H","-R 3 2""","166","","","Hydroniumjarosite","- Al0.03 Fe2.949 H14.31 K0.02 Na0.2 O14.77 S1.97 Si0.03 -","- Al0.09 Fe8.847 H24.93 K0.06 Na0.6 O44.31 S5.91 Si0.09 -","- Al0.09 Fe8.847 H24.93 K0.06 Na0.6 O44.31 S5.91 Si0.09 -","","","","Plasil, J.; Skoda, R.; Fejfarova, K.; Cejka, J.; Kasatkin, A. V.; Dusek, M.; Talla, D.; Lapcak, L.; Machovic, V.; Dini, M.","Hydroniumjarosite, (H3O)+Fe3(SO4)2(OH)6, from Cerros Pintados, Chile: Single-crystal X-ray diffraction and vibrational spectroscopic study","Mineralogical Magazine","2014","78","","535","547","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:21:28",""
"9017655","54.49","","5.5685","","10.469","","90","","96.294","","90","","3157.44","","","","","","","","","","","","Nanniping mine, Dongchuan district, Yunnan Province, China","6","C 1 2/c 1","-C 2yc","15","","","Tangdanite","- As4 Ca2 Cu9 H24.96 O37.18 S0.52 -","- As4 Ca2 Cu9 H24.96 O37.18 S0.52 -","- As16 Ca8 Cu36 H99.84 O148.72 S2.08 -","4","0.5","","Ma, Z.; Li, G.; Chukanov, N. V.; Poirier, G.; Shi, N.","Tangdanite, a new mineral species from the Yunnan Province, China and the discreditation of 'clinotyrolite'","Mineralogical Magazine","2014","78","","559","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017656","5.739","","5.951","","8.312","","90","","90.4","","90","","283.871","","","","","","","","","","","","Hatrurim Formation, Israel","3","P 1 21/n 1","-P 2yn","14","","","Vapnikite","- Ca0.761 O1.5 U0.239 -","- Ca6.088 O12 U1.912 -","- Ca6.088 O12 U1.912 -","","","","Galuskin, E. V.; Galuskina, I. O.; Kusz, J.; Armbruster, T.; Marzec, K. M.; Dzierzanowski, P.; Murashko, M.","Vapnikite Ca3UO6 - a new double-perovskite mineral from pyrometamorphic larnite rocks of the Jabel Harum, Palestinian Autonomy, Israel","Mineralogical Magazine","2014","78","","571","581","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:21:40",""
"9017657","6.8345","","6.8345","","14.0022","","90","","90","","120","","566.422","","","","","","","","","","","","Santo Domingo mine, Arica Province, Chile","5","R -3 m :H","-R 3 2""","166","","","Tondiite","- Cl2 Cu3.296 H6 Mg0.704 O6 -","- Cl6 Cu9.888 H18 Mg2.112 O18 -","- Cl6 Cu9.888 H18 Mg2.112 O18 -","","","","Malcherek, T.; Bindi, L.; Dini, M.; Ghiara, M. R.; Molina Donoso, A.; Nestola, F.; Rossi, M.; Schluter, J.","Tondiite, Cu3Mg(OH)6Cl2, the Mg-analogue of herbertsmithite Note: Sample IIa","Mineralogical Magazine","2014","78","","583","590","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:21:54",""
"9017658","10.119","","6.436","","12.682","","90","","99.91","","90","","813.603","","","","","","","","","","","","Poudrette quarry, Quebec, Canada","8","P 1 21/c 1","-P 2ybc","14","","","Franconite","- Al0.01 Ca0.13 H7 Na0.73 Nb1.96 O9 Si0.02 Ti0.02 -","- Al0.01 Ca0.13 H7 Na0.73 Nb1.96 O9 Si0.02 Ti0.02 -","- Al0.04 Ca0.52 H28 Na2.92 Nb7.84 O36 Si0.08 Ti0.08 -","4","1","","Haring, M. M. M.; McDonald, A. M.","Franconite, NaNb2O5(OH)*3H2O: structure determination and the role of H bonding, with comments on the crystal chemistry of franconite-related minerals","Mineralogical Magazine","2014","78","","591","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017659","5.4581","","11.3288","","18.4163","","104.786","","90.092","","96.767","","1092.77","","","","","","","","","","","","Blue Lizard mine, San Juan County, Utah, USA","5","P -1","-P 1","2","","","Belakovskiite","- H14 Na14 O50 S10 U2 -","- H14 Na14 O50 S10 U2 -","- H14 Na14 O50 S10 U2 -","1","0.5","","Kampf, A. R.; Plasil, J.; Kasatkin, A. V.; Marty, J.","Belakovskiite, Na7(UO2)(SO4)4(SO3OH)(H2O)3, a new uranyl sulfate mineral from the Blue Lizard mine, San Juan County, Utah, USA","Mineralogical Magazine","2014","78","","639","649","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017660","15.9272","","15.9272","","7.2001","","90","","90","","120","","1581.79","","","","","","","","","","","","Osarara, Narok District, Kenya","8","R 3 m :H","R 3 -2""","160","","","Oxy-dravite","- Al6.624 B3 Fe0.6 H3.194 Mg1.776 Na0.866 O31 Si6 -","- Al19.872 B9 Fe1.8 H9.582 Mg5.328 Na2.598 O93.072 Si18 -","- Al19.872 B9 Fe1.8 H9.582 Mg5.328 Na2.598 O93.072 Si18 -","","","","Gatta, G. D.; Bosi, F.; McIntyre, G. J.; Skogby, H.","First accurate location of two proton sites in tourmaline: A single-crystal neutron diffraction study of oxy-dravite Note: H1 site on the three-fold axis","Mineralogical Magazine","2014","78","","681","692","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:22:27",""
"9017661","15.9272","","15.9272","","7.2001","","90","","90","","120","","1581.79","","","","","","","","","","","","Osarara, Narok District, Kenya","8","R 3 m :H","R 3 -2""","160","","","Oxy-dravite","- Al6.537 B3 Fe0.6 H3.165 Mg1.863 Na0.873 O31 Si6 -","- Al19.611 B9 Fe1.8 H9.495 Mg5.589 Na2.619 O93.117 Si18 -","- Al19.611 B9 Fe1.8 H9.495 Mg5.589 Na2.619 O93.117 Si18 -","","","","Gatta, G. D.; Bosi, F.; McIntyre, G. J.; Skogby, H.","First accurate location of two proton sites in tourmaline: A single-crystal neutron diffraction study of oxy-dravite Note: H1 site off the three-fold axis","Mineralogical Magazine","2014","78","","681","692","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:22:40",""
"9017662","25.297","","14.542","","6.493","","90","","90","","90","","2388.57","","","","","","","","","","","","Jas Roux, Hautes-Alpes, France","3","P n a 21","P 2c -2n","33","","","Wakabayashilite","- As9.85 S14 Sb0.15 -","- As39.4 S56 Sb0.6 -","- As39.4 S56 Sb0.6 -","","","","Bindi, L.; Bonazzi, P.; Zoppi, M.; Spry, P. G.","Chemical variability in wakabayashilite: a real feature or an analytical artifact Note: Sample JR1","Mineralogical Magazine","2014","78","","693","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:22:50",""
"9017663","25.31","","14.515","","6.4988","","90","","90","","90","","2387.49","","","","","","","","","","","","White Caps mine, Nevada, USA","3","P n a 21","P 2c -2n","33","","","Wakabayashilite","- As9.887 S14 Sb0.113 -","- As39.548 S56 Sb0.452 -","- As39.548 S56 Sb0.452 -","","","","Bindi, L.; Bonazzi, P.; Zoppi, M.; Spry, P. G.","Chemical variability in wakabayashilite: a real feature or an analytical artifact Note: Sample WC","Mineralogical Magazine","2014","78","","693","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:03",""
"9017664","9.7856","","7.6607","","4.8025","","90","","90.02","","90","","360.017","","","","","","","","","","","","Bennett pegmatite, Buckfield, Oxford County, Maine, USA","9","P 1 21/a 1","-P 2yab","14","","","Hydroxylherderite","- Be0.98 Ca F0.165 H0.835 Li0.01 Na0.01 O4.835 P0.98 Si0.03 -","- Be3.92 Ca4 F0.66 H3.34 Li0.04 Na0.04 O19.34 P3.92 Si0.12 -","- Be3.92 Ca4 F0.66 H3.34 Li0.04 Na0.04 O19.34 P3.92 Si0.12 -","","","","Gatta, G. D.; Jacobsen, S. D.; Vignola, P.; McIntyre, G. J.; Guastella, G.; Abate, L. F.","Single-crystal neutron diffraction and Raman spectroscopic study of hydroxylherderite, CaBePO4(OH,F)","Mineralogical Magazine","2014","78","","723","737","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:14",""
"9017665","7.7891","","7.7891","","7.7891","","90","","90","","90","","472.565","","","","","","","","","","","","Lubero region, North Kivu, Congo","2","F m -3 m","-F 4 2 3","225","","","Kitagohaite","- Cu Pt7 -","- Cu4 Pt28 -","- Cu4 Pt28 -","","","","Cabral, A. R.; Skala, R.; Vymazalova, A.; Kallistova, A.; Lehmann, B.; Jedwab, J.; Sidorinova, T.","Kitagohaite, Pt7Cu, a new mineral from the Lubero region, North Kivu, Democratic Republic of the Congo","Mineralogical Magazine","2014","78","","739","745","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:17",""
"9017666","5.258","","8.062","","18.654","","90","","90","","90","","790.743","","","","","","","","","","","","Torrecillas mine, Iquique Province, Chile","5","P m c n","-P 2n 2a","62","","","Torrecillasite","- As3.516 Cl Na O6 Sb0.484 -","- As14.064 Cl4 Na4 O24 Sb1.936 -","- As14.064 Cl4 Na4 O24 Sb1.936 -","","","","Kampf, A. R.; Nash, B. P.; Dini, M.; Molina Donoso, A. A.","Torrecillasite, Na(As,Sb)3+4O6Cl, a new mineral from the Torrecillas mine, Iquique Province, Chile: description and crystal structure","Mineralogical Magazine","2014","78","","747","755","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:19",""
"9017667","7.5764","","5.9507","","8.805","","90","","112.551","","90","","366.619","","","","","","","","","","","","Valletta mine, Maira Valley, Piedmont, Italy","11","P 1 21/m 1","-P 2yb","11","","","Grandaite","- Al0.68 As1.77 Ba0.079 Ca0.452 Fe0.14 H Mg0.13 Mn0.12 O9 Sr1.469 V0.23 -","- Al0.68 As1.77 Ba0.079 Ca0.452 Fe0.14 H Mg0.13 Mn0.12 O9 Sr1.469 V0.23 -","- Al1.36 As3.54 Ba0.158 Ca0.904 Fe0.28 H2 Mg0.26 Mn0.24 O18 Sr2.938 V0.46 -","2","0.5","","Camara, F.; Ciriotti, M. E.; Bittarello, E.; Nestola, F.; Massimi, F.; Radica, F.; Costa, E.; Benna, P.; Piccoli, G. C.","Arsenic-bearing new mineral species from Valletta mine, Maira Valley, Piedmont, Italy: I. Grandaite, Sr2Al(AsO4)2(OH), description and crystal structure","Mineralogical Magazine","2014","78","","757","774","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017668","12.3282","","12.6039","","6.8814","","90","","113.48","","90","","980.72","","","","","","","","","","","","Torrecillas mine, Iquique Province, Chile","8","C 1 2/c 1","-C 2yc","15","","","Canutite","- As3 Co0.132 Cu0.032 H2 Mg0.322 Mn2.514 Na O12 -","- As12 Co0.528 Cu0.128 H8 Mg1.288 Mn10.056 Na4 O48 -","- As12 Co0.528 Cu0.128 H8 Mg1.288 Mn10.056 Na4 O48 -","","","","Kampf, A. R.; Mils, S. J.; Hatert, F.; Nash, B. P.; Dini, M.; Molina Donoso, A. A.","Canutite, NaMn3[AsO4][AsO3(OH)]2, a new protonated alluaudite-group mineral from the Torrecillas mine, Iquique Province, Chile","Mineralogical Magazine","2014","78","","787","795","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:19",""
"9017669","5.24","","10.567","","6.968","","106.82","","110.77","","72.23","","336.356","","","","","","","","","","","","Siglo Veinte mine, Potosi Department, Bolivia","5","P -1","-P 1","2","","","Paravauxite","- Al2 Fe0.921 H17.913 O18 P2 -","- Al2.075 Fe0.921 H17.9128 O18 P2 -","- Al2.075 Fe0.921 H17.9128 O18 P2 -","1","0.5","","Gatta, G. D.; Vignola, P.; Meven, M.","On the complex H-bonding network in paravauxite, Fe2+Al2(PO4)2(OH)2*8H2O: A single-crystal neutron diffraction study","Mineralogical Magazine","2014","78","","841","850","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9017670","15.405","","15.405","","15.553","","90","","90","","90","","3690.95","","","","","","","","","","","","South mine, Cap Garonne, France","6","I -4 2 m","I -4 2","121","","","Bariopharmacoalumite","- Al16.66 As11.34 Ba1.96 Cu0.4 H61.38 O87.09 -","- Al16.66 As11.34 Ba1.96 Cu0.4 H61.38 O87.09 -","- Al33.32 As22.68 Ba3.92 Cu0.8 H122.76 O174.18 -","2","0.125","","Grey, I. E.; Mumme, W. G.; Price, J. R.; Mills, S. J.; Macrae, C. M.; Favreau, G.","BaCu ordering in bariopharmacoalumite-Q2a2b2c from Cap Garonne, France","Mineralogical Magazine","2014","78","","851","860","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017671","9.7879","","17.8263","","5.2822","","90","","104.195","","90","","893.508","","","","","","","","","","","","Bratthagen nepheline syenite pegmatite, Vestfold County, Norway","13","C 1 2/m 1","-C 2y","12","","","Ferri-fluoro-leakeite","- Al0.23 F1.59 Fe1.74 H0.41 K0.32 Li0.78 Mg1.69 Mn0.26 Na2.67 O22.41 Si8 Ti0.02 Zn0.29 -","- Al0.23 F1.59 Fe1.74 H0.41 K0.3201 Li0.78 Mg1.69 Mn0.26 Na2.6701 O22.41 Si8 Ti0.02 Zn0.29 -","- Al0.46 F3.18 Fe3.48 H0.82 K0.6402 Li1.56 Mg3.38 Mn0.52 Na5.3402 O44.82 Si16 Ti0.04 Zn0.58 -","2","0.25","","Oberti, R.; Boiocchi, M.; Hawthorne, F. C.; Kristiansen, R.","Ferri-fluoro-leakeite: a second occurrence at Bratthagen (Norway), with new data on Zn partitioning and the oxo component in Na amphiboles","Mineralogical Magazine","2014","78","","861","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","283869","2023-05-18","18:03:01",""
"9017672","11.4292","","29.772","","11.2989","","91.152","","119.266","","92.624","","3346.44","","","","","","","","","","","","Cetine mine, Tuscany, Italy","4","P -1","-P 1","2","","","Coquandite","- H8.5 O66.5 S5 Sb31.5 -","- H8.5 O66.5 S5 Sb31.5 -","- H17 O133 S10 Sb63 -","2","1","","Bindi, L.; Biagioni, C.; Ceccantini, L.; Batoni, M.; Menchetti, S.","Coquandite, Sb6+xO8+x(SO4)(OH)x*(H2O)1-x (x=0.3), from the Cetine mine, Tuscany, Italy: crystal structure and revision of the chemical formula","Mineralogical Magazine","2014","78","","871","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017673","7.0731","","9.634","","10.827","","90","","100.403","","90","","725.649","","","","","","","","","","","","Alyaskitovoje deposit, Eastern Yakutiya, Russia","6","P 1 2/a 1","-P 2ya","13","","","Arangasite","- Al2 F H18 O17 P S -","- Al4 F2 H36 O34 P2 S2 -","- Al4 F2 H36 O34 P2 S2 -","","","","Yakubovich, O. V.; Steele, I. M.; Chernyshev, V. V.; Zayakina, N. V.; Gamyanin, G. N.; Karimova, O. V.","The crystal structure of arangasite, Al2F(PO4)(SO4)*9H2O determined using low-temperature synchrotron data","Mineralogical Magazine","2014","78","","889","903","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:32",""
"9017674","13.7444","","13.7444","","18.3077","","90","","90","","120","","2995.13","","","","","","","","","","","","Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia","14","R -3 c :H","-R 3 2""c","167","","","Yurmarinite","- Al0.23 As5.94 Ca0.28 Cu0.48 Fe2.48 K0.22 Mg0.7 Mn0.01 Na6.55 O24 P0.02 Ti0.01 V0.01 Zn0.14 -","- Al1.38 As35.64 Ca1.68 Cu2.88 Fe14.88 K1.3188 Mg4.2 Mn0.06 Na39.2994 O144 P0.1188 Ti0.06 V0.0612 Zn0.84 -","- Al1.38 As35.64 Ca1.68 Cu2.88 Fe14.88 K1.3188 Mg4.2 Mn0.06 Na39.2994 O144 P0.1188 Ti0.06 V0.0612 Zn0.84 -","","","","Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Lykova, I. S.; Vigasina, M. F.; Sidorov, E. G.; Pushcharovsky, D. Y.","New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. I. Yurmarinite, Na7(Fe3+,Mg,Cu)4(AsO4)6","Mineralogical Magazine","2014","78","","905","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:32",""
"9017675","9.6422","","17.4146","","7.0094","","90","","90","","90","","1176.98","","","","","","","","","","","","Zbirov, Bohemia, Czech Republic","5","P c m n","-P 2n 2ac","62","","","Wavellite","- Al3 F0.53 H12.67 O15.57 P2 -","- Al3 F0.53 H12.67 O15.57 P2 -","- Al12 F2.12 H50.68 O62.28 P8 -","4","0.5","","Capitelli, F.; Della Ventura, G.; Bellatreccia, F.; Sodo, A.; Saviano, M.; Ghiara, M. R.; Rossi, M.","Crystal-chemical study of wavellite from Zbirov, Czech Republic","Mineralogical Magazine","2014","78","","1057","1070","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017676","8.316","","8.316","","13.202","","90","","90","","120","","790.677","","","","","","","","","","","","Blue Bell claims, San Bernardino County, California, USA","5","R 3 :H","R 3","146","","","Mojaveite","- Cl Cu6 H9 O13 Te -","- Cl3 Cu18 H27 O39 Te3 -","- Cl3 Cu18 H27 O39 Te3 -","","","","Mills, S. J.; Kampf, A. R.; Christy, A. G.; Housley, R. M.; Rossman, G. R.; Reynolds, R. E.; Marty, J.","Bluebellite and mojaveite, two new minerals from the central Mojave Desert, California, USA","Mineralogical Magazine","2014","78","","1325","1340","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:32",""
"9017677","8.3017","","8.3017","","13.259","","90","","90","","120","","791.363","","","","","","","","","","","","Blue Bell claims, San Bernardino County, California, USA","5","R 3 :H","R 3","146","","","Bluebellite","- Cl Cu6 H10 I O13 -","- Cl3 Cu18 H30 I3 O39 -","- Cl3 Cu18 H30 I3 O39 -","","","","Mills, S. J.; Kampf, A. R.; Christy, A. G.; Housley, R. M.; Rossman, G. R.; Reynolds, R. E.; Marty, J.","Bluebellite and mojaveite, two new minerals from the central Mojave Desert, California, USA","Mineralogical Magazine","2014","78","","1325","1340","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:33",""
"9017678","6.401","","8.0041","","10.3969","","85.824","","79.873","","84.655","","521.232","","","","","","","","","","","","Geister vein, Rovnost mine, Jachymov, Western Bohemia, Czech Republic","6","P -1","-P 1","2","","","Hlousekite","- As4 Co0.25 Cu4 H20 Ni0.75 O25 -","- As4 Co0.25 Cu4 H20 Ni0.75 O25 -","- As4 Co0.25 Cu4 H20 Ni0.75 O25 -","1","0.5","","Plasil, J.; Sejkora, J.; Skoda, R.; Novak, M.; Kasatkin, A. V.; Skacha, P.; Veselovsky, F.; Fejfarova, K.; Ondrus, P.","Hlousekite, (Ni,Co)Cu4(AsO4)2(AsO3OH)2(H2O)9, a new member of the lindackerite supergroup from Jachymov, Czech Republic","Mineralogical Magazine","2014","78","","1341","1353","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017679","6.331","","2.913","","10.727","","93.77","","96.34","","79.03","","192.824","","","","","","","","","","","","Tistoulet mine, Padern, Aude Department, France","6","P 1","P 1","1","","","Camerolaite","- Al Cu2 H9.32 O10 S0.33 Sb0.33 -","- Al Cu2 H9.32 O10 S0.33 Sb0.33 -","- Al Cu2 H9.32 O10 S0.33 Sb0.33 -","1","1","","Mills, S. J.; Christy, A. G.; Schnyder, C.; Favreau, G.; Price, J. R.","The crystal structure of camerolaite and structural variation in the cyanotrichite family of merotypes","Mineralogical Magazine","2014","78","","1527","1552","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017680","12.441","","2.913","","10.727","","93.77","","95.57","","92.32","","385.65","","","","","","","","","","","","Tistoulet mine, Padern, Aude Department, France","6","C 1","C 1","1","","","Camerolaite","- Al Cu2 H9.34 O10.03 S0.33 Sb0.33 -","- Al Cu2 H9.34 O10.03 S0.33 Sb0.33 -","- Al2 Cu4 H18.68 O20.06 S0.66 Sb0.66 -","2","","","Mills, S. J.; Christy, A. G.; Schnyder, C.; Favreau, G.; Price, J. R.","The crystal structure of camerolaite and structural variation in the cyanotrichite family of merotypes Note: C1 is not the preferred setting","Mineralogical Magazine","2014","78","","1527","1552","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017681","8.2581","","6.4026","","13.8047","","90","","90","","90","","729.9","","","","","","","","","","","","Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia","3","P n m a","-P 2ac 2n","62","","","Kozyrevskite","- As2 Cu4 O9 -","- As8 Cu16 O36 -","- As8 Cu16 O36 -","","","","Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Vigasina, M. F.; Sidorov, E. G.; Pushcharovsky, D. Y.","New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. II. Ericlaxmanite and kozyrevskite, two natural modifications of Cu4O(AsO4)2","Mineralogical Magazine","2014","78","","1553","1569","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:33",""
"9017682","6.4271","","7.6585","","8.2249","","98.396","","112.42","","98.397","","361.114","","","","","","","","","","","","Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia","3","P -1","-P 1","2","","","Ericlaxmanite","- As2 Cu4 O9 -","- As4 Cu8 O18 -","- As4 Cu8 O18 -","","","","Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Vigasina, M. F.; Sidorov, E. G.; Pushcharovsky, D. Y.","New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. II. Ericlaxmanite and kozyrevskite, two natural modifications of Cu4O(AsO4)2","Mineralogical Magazine","2014","78","","1553","1569","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:33",""
"9017683","17.276","","35.957","","7.256","","90","","91.359","","90","","4506.11","","","","","","","","","","","","Innsbruck, Tyrol, Austria","4","C 1 m 1","C -2y","8","","","Innsbruckite","- H38 Mn33 O108 Si28 -","- H76 Mn66 O216 Si56 -","- H76 Mn66 O216 Si56 -","","","","Kruger, H.; Tropper, P.; Haefeker, U.; Kaindl, R.; Tribus, M.; Kahlenberg, V.; Wikete, C.; Fuchs, M. R.; Olieric, V.","Innsbruckite, Mn33(Si2O5)14(OH)38 - a new mineral from the Tyrol, Austria","Mineralogical Magazine","2014","78","","1613","1627","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:33",""
"9017684","11.2486","","5.6568","","11.9139","","90","","99.177","","90","","748.391","","","","","","","","","","","","La Fossa crater, Vulcano, Aeolian Islands, Italy","3","P 1 2 1","P 2y","3","","","Leguernite","- Bi12.667 O34 S5 -","- Bi12.6667 O34 S5 -","- Bi12.6667 O34 S5 -","","","","Garavelli, A.; Pinto, D.; Mitolo, D.; Bindi, L.","Leguernite, Bi12.67O14(SO4)5, a new Bi oxysulfate from the fumarole deposit of La Fossa crater, Vulcano, Aeolian Islands, Italy Note: O17 y-coordinate changed to reproduce reported bond lengths","Mineralogical Magazine","2014","78","","1629","1645","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:33",""
"9017685","7.378","","10.657","","10.657","","61.31","","70.964","","70.964","","680.177","","","","","","","","","","","","Tolbachik volcano, Kamchatka Peninsula, Russia","4","P -1","-P 1","2","","","Markhininite","- Bi O8 S2 Tl -","- Bi4 O32 S8 Tl4 -","- Bi4 O32 S8 Tl4 -","","","","Siidra, O. I.; Vergasova, L. P.; Krivovichev, S. V.; Kretser, Y. L.; Zaitsev, A. N.; Filatov, S. K.","Unique thallium mineralization in the fumaroles of Tolbachik volcano, Kamchatka Peninsula, Russia. I. Markhininite, TlBi(SO4)2","Mineralogical Magazine","2014","78","","1687","1698","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:33",""
"9017686","4.6524","","11.0757","","9.3876","","90","","98.353","","90","","478.598","","","","","","","","","","","","Tolbachik volcano, Kamchatka Peninsula, Russia","5","P 1 21 1","P 2yb","4","","","Karpovite","- H2 O10 S2 Tl2 V -","- H2 O10 S2 Tl2 V -","- H4 O20 S4 Tl4 V2 -","2","1","","Siidra, O. I.; Vergasova, L. P.; Kretser, Y. L.; Polekhovsky, Y. S.; Filatov, S. K.; Krivovichev, S. V.","Unique thallium mineralization in the fumaroles of the Tolbachik volcano, Kamchatka Peninsula, Russia. II. Karpovite Tl2VO(SO4)2(H2O)","Mineralogical Magazine","2014","78","","1699","1709","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017687","6.2958","","10.11","","39.426","","90","","90.347","","90","","2509.44","","","","","","","","","","","","Tolbachik volcano, Kamchatka Peninsula, Russia","5","P 1 21/n 1","-P 2yn","14","","","Evdokimovite","- H10 O28 S5 Tl4 V3 -","- H10 O28 S5 Tl4 V3 -","- H40 O112 S20 Tl16 V12 -","4","1","","Siidra, O. I.; Vergasova, L. P.; Kretser, Y. L.; Polekhovsky, Y. S.; Filatov, S. K.; Krivovichev, S. V.","Unique thallium mineralization in the fumaroles of the Tolbachik volcano, Kamchatka Peninsula, Russia. III. Evdokimovite, Tl4(VO)3(SO4)5(H2O)5","Mineralogical Magazine","2014","78","","1711","1724","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017688","8.9599","","8.9599","","11.822","","90","","90","","90","","949.068","","","","","","","","","","","","Lukkulaisvaara intrusion, northern Russian Karelia, Russia","3","I 4/m","-I 4","87","","","Lukkulaisvaaraite","- Ag2 Pd14 Te9 -","- Ag4 Pd28 Te18 -","- Ag4 Pd28 Te18 -","","","","Vymazalova, A.; Grokhovskaya, T. L.; Laufek, F.; Rassulov, V. A.","Lukkulaisvaaraite, Pd14Ag2Te9, a new mineral from Lukkulaisvaara intrusion, northern Russian Karelia, Russia","Mineralogical Magazine","2014","78","","1743","1754","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:46",""
"9017689","6.6786","","6.6786","","9.2744","","90","","90","","120","","358.251","","","","","","","","","","","","Great Australia mine, Cloncurry, Queensland, Australia","6","P 63/m m c","-P 6c 2c","194","","","Barlowite","- Br0.95 Cl0.09 Cu3.99 F H5.85 O5.85 -","- Br1.9 Cl0.18 Cu7.98 F2 H11.7 O11.7 -","- Br1.9 Cl0.18 Cu7.98 F2 H11.7 O11.7 -","","","","Elliott, P.; Cooper, M. A.; Pring, A.","Barlowite, Cu4FBr(OH)6, a new mineral isostructural with claringbullite: description and crystal structure","Mineralogical Magazine","2014","78","","1755","1762","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:58",""
"9017746","7.4753","","11.6397","","6.6897","","91.594","","93.934","","104.312","","562.074","","","","","","","","","","","","Yakuri mine, Japan","8","P -1","-P 1","2","","","Babingtonite","- Al0.01 Ca2 Fe1.6 H Mg0.07 Mn0.32 O15 Si5 -","- Al0.02 Ca4 Fe3.2 H2 Mg0.14 Mn0.64 O30 Si10 -","- Al0.02 Ca4 Fe3.2 H2 Mg0.14 Mn0.64 O30 Si10 -","","","","Nagashima, M.; Mitani, K.; Akasaka, M.","Structural variation of babingtonite depending on cation distribution at the octahedral sites Note: Sample 1","Mineralogy and Petrology","2014","108","","287","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:19",""
"9017747","7.4771","","11.6376","","6.6841","","91.591","","93.861","","104.337","","561.633","","","","","","","","","","","","Gronsjoberget, Sweden","8","P -1","-P 1","2","","","Babingtonite","- Al0.02 Ca2 Fe1.49 H Mg0.21 Mn0.28 O15 Si5 -","- Al0.04 Ca4 Fe2.98 H2 Mg0.42 Mn0.56 O30 Si10 -","- Al0.04 Ca4 Fe2.98 H2 Mg0.42 Mn0.56 O30 Si10 -","","","","Nagashima, M.; Mitani, K.; Akasaka, M.","Structural variation of babingtonite depending on cation distribution at the octahedral sites Note: Sample 2","Mineralogy and Petrology","2014","108","","287","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017748","7.4664","","11.6276","","6.6813","","91.564","","93.889","","104.203","","560.441","","","","","","","","","","","","Kandivali quarry, India","8","P -1","-P 1","2","","","Babingtonite","- Al0.04 Ca2 Fe1.72 H Mg0.13 Mn0.11 O15 Si5 -","- Al0.08 Ca4 Fe3.44 H2 Mg0.26 Mn0.22 O30 Si10 -","- Al0.08 Ca4 Fe3.44 H2 Mg0.26 Mn0.22 O30 Si10 -","","","","Nagashima, M.; Mitani, K.; Akasaka, M.","Structural variation of babingtonite depending on cation distribution at the octahedral sites Note: Sample 3","Mineralogy and Petrology","2014","108","","287","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017749","7.4692","","11.6315","","6.6865","","91.589","","93.873","","104.208","","561.264","","","","","","","","","","","","Baveno quarry, Italy","8","P -1","-P 1","2","","","Babingtonite","- Al0.05 Ca2 Fe1.74 H Mg0.03 Mn0.18 O15 Si5 -","- Al0.1 Ca4 Fe3.48 H2 Mg0.06 Mn0.36 O30 Si10 -","- Al0.1 Ca4 Fe3.48 H2 Mg0.06 Mn0.36 O30 Si10 -","","","","Nagashima, M.; Mitani, K.; Akasaka, M.","Structural variation of babingtonite depending on cation distribution at the octahedral sites Note: Sample 4","Mineralogy and Petrology","2014","108","","287","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017750","7.478","","11.6418","","6.6892","","91.564","","93.937","","104.326","","562.313","","","","","","","","","","","","Brastad mine, Norway","8","P -1","-P 1","2","","","Babingtonite","- Al0.02 Ca2 Fe1.5 H Mg0.13 Mn0.35 O15 Si5 -","- Al0.04 Ca4 Fe3 H2 Mg0.26 Mn0.7 O30 Si10 -","- Al0.04 Ca4 Fe3 H2 Mg0.26 Mn0.7 O30 Si10 -","","","","Nagashima, M.; Mitani, K.; Akasaka, M.","Structural variation of babingtonite depending on cation distribution at the octahedral sites Note: Sample 5","Mineralogy and Petrology","2014","108","","287","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017751","7.4672","","11.6235","","6.6805","","91.53","","93.88","","104.222","","560.211","","","","","","","","","","","","Kouraghana, Japan","8","P -1","-P 1","2","","","Babingtonite","- Al0.06 Ca2 Fe1.73 H Mg0.11 Mn0.1 O15 Si5 -","- Al0.12 Ca4 Fe3.46 H2 Mg0.22 Mn0.2 O30 Si10 -","- Al0.12 Ca4 Fe3.46 H2 Mg0.22 Mn0.2 O30 Si10 -","","","","Nagashima, M.; Mitani, K.; Akasaka, M.","Structural variation of babingtonite depending on cation distribution at the octahedral sites Note: Sample 7","Mineralogy and Petrology","2014","108","","287","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017752","7.4967","","11.6632","","6.7014","","91.602","","93.989","","104.574","","565.086","","","","","","","","","","","","Iron Cap mine, Graham County, Arizona, USA","8","P -1","-P 1","2","","","Manganbabingtonite","- Al0.03 Ca2 Fe1.2 H Mg0.03 Mn0.74 O15 Si5 -","- Al0.06 Ca4 Fe2.4 H2 Mg0.06 Mn1.48 O30 Si10 -","- Al0.06 Ca4 Fe2.4 H2 Mg0.06 Mn1.48 O30 Si10 -","","","","Nagashima, M.; Mitani, K.; Akasaka, M.","Structural variation of babingtonite depending on cation distribution at the octahedral sites Note: Sample 6","Mineralogy and Petrology","2014","108","","287","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017783","7.083","","7.083","","16.742","","90","","90","","120","","727.399","","","","","","","","","","","","Tsumeb, Namibia","10","R -3 m :H","-R 3 2""","166","","","Galloplumbogummite","- Al1.282 Ca0.095 Fe0.018 Ga1.339 Ge0.36 H6 O14 P1.863 Pb0.905 S0.137 -","- Al1.2816 Ca0.095 Fe0.018 Ga1.3392 Ge0.36 H6 O14 P1.8634 Pb0.905 S0.1366 -","- Al3.8448 Ca0.285 Fe0.054 Ga4.0176 Ge1.08 H18 O42 P5.5902 Pb2.715 S0.4098 -","3","0.0833333","","Schluter, J.; Malcherek, T.; Mihailova, B.","Galloplumbogummite from Tsumeb, Namibia, a new member of the alunite group with tetravalent charge balance","Neues Jahrbuch fur Mineralogie, Abhandlungen","2014","191","","301","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9017823","12.1987","","12.1987","","12.1987","","90","","90","","90","","1815.27","","","","","","","","","","","","the Campbell orebody, Bisbee, Arizona, USA","4","F d -3 c :1","F 4d 2 3 -1ad","228","","","Henryite","- Ag1.468 Cu1.918 Fe0.022 Te -","- Ag23.488 Cu30.688 Fe0.352 Te16 -","- Ag23.488 Cu30.688 Fe0.352 Te16 -","","","","Bindi, L.","Chemical and structural characterization of henryite, (Cu,Ag)3+xTe2 (x ~ 0.40): A new structure type in the (Ag)-Cu-Te system","Solid State Sciences","2014","38","","108","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:25",""
"9017889","7.97","","5.633","","3.711","","90","","116.3","","90","","149.359","","","","","","","","","","","","Synthetic","1","C 1 2/m 1","-C 2y","12","","","Oxygen","- O -","- O16 -","- O16 -","","","","Datchi, F.; Weck, G.","X-ray crystallography of simple molecular solids up to megabar pressures: application to solid oxygen and carbon dioxide","Zeitschrift fur Kristallographie","2014","229","","135","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:28",""
"9017906","6.7922","","6.7922","","12.4975","","90","","90","","120","","499.315","","","","","","","","","","","","Bon Accord oxide body, South Africa","4","P 63 c m","P 6c -2","185","","","Orcelite","- As5.79 Fe0.15 Ni14.25 Sb0.06 -","- As11.58 Fe0.3 Ni28.5 Sb0.12 -","- As11.58 Fe0.3 Ni28.5 Sb0.12 -","","","","Bindi, L.; Tredoux, M.; Zaccarini, F.; Miller, D. E.; Garuti, G.","Non-stoichiometric nickel arsenides in nature: The structure of orcelite, Ni5-xAs2 (x = 0.25), from the Bon Accord oxide body, South Africa","Journal of Alloys and Compounds","2014","601","","175","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:29",""